#DEFINITION	Reference Metabolome for Scutellaria barbata
#IDENTTFIER	RefMeta-Scutellaria barbata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Scutellaria barbata
#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 Scutellaria barbata was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62114	1.1
71.04967	1.0
71.09158	0.4
73.02914	3.8
73.06546	1.9
76.77839	0.4
77.03923	1.4
78.99500	2.7
79.05479	10.0
81.03410	1.1
81.07047	1.8
83.08616	0.6
86.09706	0.5
87.04453	6.2
89.06023	14.4
89.62258	0.4
91.05470	17.9
93.07038	3.4
95.04961	6.7
95.08610	1.9
98.23416	0.6
103.05453	8.3
103.07558	3.3
104.06290	0.5
105.04578	2.2
105.07019	100.0
106.07339	1.1
107.04955	3.2
107.08594	1.4
109.06497	0.8
109.10126	0.5
113.00005	5.7
113.05985	0.9
115.05450	0.8
115.07568	1.7
116.06220	1.2
117.07001	3.5
117.09135	3.4
119.04933	2.0
119.08562	8.1
121.06494	11.7
121.07324	0.8
127.01553	44.7
128.06197	2.6
129.06978	4.5
131.07011	1.4
131.08551	12.2
132.05707	1.6
133.06470	0.9
133.08588	9.3
133.10133	1.7
135.08029	0.9
136.06174	20.2
137.09628	0.5
139.01543	14.9
139.02625	0.8
145.06494	1.6
145.10115	0.8
147.04399	4.9
147.08032	50.3
147.10101	2.1
149.09604	11.1
153.03099	49.9
157.10117	0.4
159.10190	0.9
159.11609	0.5
161.11740	0.7
165.06955	0.7
165.09006	0.5
166.07744	0.9
173.09589	1.0
175.09650	1.3
175.11188	1.2
177.11240	2.9
177.12518	0.5
178.07805	0.5
181.10089	2.8
183.04163	4.9
184.07298	0.9
191.03348	0.6
191.10513	0.9
193.12201	0.7
197.05722	24.1
207.08165	0.7
207.11777	0.7
208.08891	0.8
219.12082	0.6
221.09697	0.5
223.11197	3.5
225.12714	25.9
227.06744	2.6
235.11063	0.5
241.08340	6.0
249.12767	4.1
251.14262	3.4
259.09430	0.9
267.13589	0.6
269.15366	1.4
271.09467	3.0
277.15912	0.5
279.06329	0.8
285.10947	3.0
289.17795	0.5
291.19510	0.8
303.11938	1.0
311.16171	0.6
313.18066	1.1
313.27408	1.3
315.12015	1.7
327.17227	1.3
329.13486	1.0
329.18903	0.9
333.24341	0.9
335.25763	2.6
347.14789	0.6
358.36560	0.5
359.14410	0.8
373.21558	5.5
381.22620	1.6
391.16830	0.6
435.19644	0.6
505.38992	0.7
523.25256	0.6
527.98547	0.5
623.43146	1.0
641.43811	1.4
646.50800	0.5
676.46552	0.7
694.53033	0.5
785.42371	0.6
803.42609	0.5
820.49152	0.5
879.45044	0.6
983.50519	0.5
1000.54962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97810	0.8
69.98165	0.8
71.04987	1.3
73.02911	4.7
73.06544	2.2
77.03920	1.2
78.99490	1.6
79.05485	9.6
81.07043	1.4
87.04459	6.8
89.06024	16.1
91.05471	16.2
93.07037	2.6
95.04964	7.2
95.08589	0.7
103.05450	9.8
103.07582	2.9
105.04553	2.4
105.07019	100.0
106.07402	0.6
107.04947	4.0
107.07057	0.4
109.00549	0.4
109.06517	0.5
113.00008	5.5
113.05988	1.3
115.05451	1.0
115.07536	1.4
116.06219	1.0
117.06998	3.2
117.09121	3.1
119.04932	1.5
119.08566	6.7
121.06497	10.2
121.10105	0.4
121.99593	0.4
125.00013	0.6
127.01555	41.0
128.06209	2.4
129.06998	4.4
131.04953	0.5
131.07086	1.8
131.08546	11.3
132.05692	1.2
133.06474	1.0
133.08597	9.8
133.10121	1.7
135.08075	0.7
135.11707	0.5
136.06190	2.9
139.01535	15.1
140.11052	0.4
145.06445	1.3
147.04387	3.1
147.08034	52.7
147.10068	2.2
148.08380	0.7
149.09608	9.4
153.03101	47.6
154.07750	0.4
155.06032	0.5
157.10045	0.6
159.10178	1.0
161.09653	0.4
161.11707	1.0
163.11145	0.7
165.06941	0.8
165.09140	0.6
166.07796	0.5
167.03416	0.4
173.09599	1.3
175.09627	1.1
175.11122	0.6
177.11221	3.0
179.08554	0.7
181.10115	2.0
183.04173	5.8
184.07306	0.9
186.56239	0.4
191.10643	0.7
193.12137	0.7
197.05724	22.7
208.08858	0.8
209.09729	0.5
209.11642	0.7
215.06752	0.5
216.27892	0.4
221.13670	0.5
223.11162	2.4
225.12717	26.1
226.12918	0.4
227.06833	2.9
237.12662	0.4
241.08330	6.6
249.12723	3.3
251.14360	3.7
255.15918	0.6
259.09363	0.9
260.79898	0.5
267.13785	1.2
269.15414	1.3
271.09381	3.7
279.06421	0.8
285.10916	2.7
289.17902	0.7
299.18362	0.4
303.11899	1.0
311.16254	0.8
313.17938	0.5
315.11963	1.9
327.17276	0.9
329.13455	0.7
329.18796	1.1
335.25705	1.4
359.14575	1.2
363.21207	0.4
373.16782	0.8
373.21494	6.6
374.21805	0.4
381.22531	0.6
451.17462	0.5
479.22455	0.5
623.42584	0.7
641.43433	1.4
647.05243	0.4
785.41870	0.7
803.43372	0.7
879.44598	0.7
1000.53851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01849	0.5
79.05465	1.0
81.03437	0.7
85.02895	1.7
89.03883	0.8
91.05470	4.2
93.07042	1.1
94.04176	1.6
97.02850	0.9
103.05447	2.2
105.07022	5.1
107.04900	1.2
109.06502	0.9
115.05476	1.7
117.03363	1.0
117.07003	1.7
119.04954	1.9
119.08572	1.8
121.02845	2.1
121.06494	2.8
122.03661	3.6
127.03946	0.8
128.06210	0.9
129.06967	1.7
131.04919	1.7
132.05704	1.1
133.02832	1.3
133.06482	4.2
137.05965	100.0
138.06276	2.0
143.06114	0.7
145.02849	2.8
145.06506	2.9
147.04398	6.8
147.08052	2.2
149.05962	5.8
151.03909	0.7
151.07521	1.0
159.08054	1.9
160.05168	1.0
161.05974	16.3
162.06763	2.3
163.03885	0.7
163.07552	1.2
168.02876	1.2
169.01318	10.0
173.05965	1.3
175.04001	0.8
175.07529	24.5
177.05518	3.4
177.09105	0.9
179.07071	1.6
181.04860	0.6
185.00801	1.1
187.07500	6.7
190.07796	1.1
191.08510	4.1
193.08594	8.1
199.07440	3.0
201.05376	0.8
203.08568	1.8
204.87654	0.5
205.08574	4.9
217.08594	1.5
219.08105	6.4
219.10068	0.7
220.08810	1.0
231.08069	2.0
232.08882	0.6
236.08290	1.4
244.91719	0.6
247.07533	3.8
248.08331	1.2
251.10660	10.9
252.11000	0.7
253.08716	0.6
259.07565	1.7
259.11551	0.6
261.09009	0.9
263.10526	1.4
264.07861	0.9
265.08566	0.9
276.07773	0.8
277.08646	0.9
279.10162	10.2
280.10632	0.8
287.05457	1.4
289.07025	19.5
291.10217	3.7
292.10870	1.0
296.10434	0.9
297.11078	0.7
311.12732	31.6
312.13184	1.4
323.12738	13.1
329.13843	6.8
337.06946	0.8
341.13794	18.1
355.11679	0.7
359.14883	7.5
465.10098	1.5
503.19037	5.0
726.35822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86025	0.1
71.05006	0.3
73.02911	1.5
73.06556	2.0
87.04462	100.0
88.04809	0.4
89.06023	29.0
91.07542	0.2
93.13240	0.1
95.04964	0.3
103.07549	0.3
107.07052	0.6
113.00023	0.3
113.05988	0.8
115.07557	0.5
117.09116	2.4
123.98102	0.1
127.01573	1.6
128.28789	0.2
130.08609	0.3
131.07030	5.9
133.08597	18.5
134.08914	0.2
139.01534	0.3
153.03094	1.7
154.03424	0.3
155.03497	0.2
157.08562	0.3
159.10118	0.4
161.11690	0.7
175.09659	2.4
177.05449	0.2
177.11211	6.1
179.12956	0.2
197.05679	0.6
198.06110	0.2
203.12825	0.2
219.12257	4.8
221.13828	1.2
223.15408	0.2
225.89963	0.2
237.13303	0.2
241.08110	0.2
263.14676	0.5
265.16168	0.3
307.17358	0.2
309.18942	0.3
353.21326	0.2
364.24091	0.2
985.54382	0.3
1002.42828	0.2
1002.60315	1.4
1002.78314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6209
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04991	0.7
71.42911	0.3
73.02914	3.1
73.06561	3.2
74.14339	0.2
80.52987	0.3
87.04462	27.1
89.06024	100.0
90.06344	0.5
91.07591	0.7
95.04966	0.7
97.06535	0.4
107.07059	1.7
113.05993	2.1
115.07559	0.9
117.09121	3.3
119.05035	0.3
130.08626	0.7
131.07027	7.5
133.08594	66.6
134.08928	0.7
135.10138	0.6
157.08626	0.6
159.10155	1.1
161.11665	1.2
175.09656	5.1
177.11205	23.2
179.12929	0.4
193.10728	0.4
201.11127	0.5
219.12315	1.6
221.13802	3.9
223.15463	0.6
237.13370	0.3
239.14888	0.6
265.16400	0.9
267.18042	0.4
283.17548	1.2
309.18918	0.8
327.20053	0.3
346.54068	0.3
353.21542	0.8
397.24237	0.4
563.95862	0.3
573.34015	0.3
665.52423	0.3
798.57300	0.3
987.59290	1.2
1004.61340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04989	0.2
71.43037	0.1
78.03441	0.5
79.04233	0.3
79.05472	0.1
80.05013	3.6
81.07054	0.4
91.05485	0.3
93.07034	0.2
95.04970	0.2
95.08586	0.1
96.04488	3.2
97.02870	0.4
105.07030	0.3
106.02914	0.2
107.08594	0.1
109.06513	0.1
111.04423	0.1
113.06027	0.1
117.06994	0.1
119.08578	1.4
119.15718	0.1
121.10118	0.1
124.03944	100.0
125.04273	0.6
129.07056	0.1
131.08578	0.3
133.10141	0.2
140.03410	0.2
141.05489	0.3
142.07788	0.1
143.08553	0.2
145.10123	0.3
147.11679	0.1
155.07047	0.5
155.08308	0.1
156.09315	0.1
157.10118	0.4
159.08049	0.1
159.11671	0.3
161.09601	0.1
167.08586	0.1
169.10164	0.4
170.10896	0.2
171.11629	0.4
173.09665	0.1
173.13269	0.4
177.09154	0.1
179.08478	0.1
181.10175	0.1
182.10939	0.1
183.11646	0.3
184.12460	0.2
185.09654	0.1
185.13260	0.2
187.11159	0.1
193.10103	0.2
195.11688	0.1
196.12645	0.1
197.13258	0.8
201.12689	0.2
205.10136	0.1
206.11049	0.1
207.11668	0.2
209.13290	0.2
211.14856	0.3
215.14369	0.1
219.11813	0.1
220.12500	0.8
221.13347	0.1
223.14745	0.1
225.16400	0.2
234.14107	0.1
235.14798	1.1
239.18126	0.1
249.16385	0.2
253.15907	0.2
255.13931	0.1
267.17398	0.1
271.16943	0.2
277.15842	0.1
295.16867	0.5
308.20212	0.1
313.17944	2.4
331.19080	0.1
382.60138	0.1
436.20853	0.2
454.22198	0.3
496.23816	0.1
514.24310	1.5
556.25385	5.1
557.25543	0.1
740.59497	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	1006.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04970	0.1
73.02901	0.7
73.06548	0.2
78.03458	0.9
79.04219	0.2
79.05473	0.6
80.05013	4.4
81.03439	0.1
81.07034	0.3
83.81038	0.1
87.04459	1.0
89.06023	2.5
89.35955	0.1
90.06364	0.1
91.05463	1.0
93.07047	0.4
95.04957	0.4
95.08614	0.1
96.04489	3.9
103.05469	0.2
105.03391	1.2
105.07025	3.5
106.02900	1.4
106.07369	0.3
107.08565	0.4
115.05467	0.2
117.07021	0.2
117.09132	0.2
119.08539	0.9
121.06506	0.3
121.10072	0.2
124.03943	100.0
125.04276	0.7
128.06264	0.2
129.06911	0.1
131.07005	0.3
131.08591	0.4
133.08591	1.3
133.10135	0.4
140.03397	0.2
143.08559	0.3
145.10127	0.4
147.06970	0.2
147.08025	1.2
147.11697	0.6
148.08353	0.2
149.09593	0.3
150.08710	0.1
155.08482	0.2
156.09320	0.2
157.10132	0.5
158.10962	0.2
159.08086	0.1
159.11668	0.2
161.09653	0.3
161.13237	0.2
162.04593	0.1
169.10124	0.3
171.11700	0.4
172.12488	0.2
176.11942	0.2
177.11230	0.6
181.10112	0.3
184.07518	0.2
185.13245	0.2
185.44688	0.1
195.11636	0.4
201.09337	0.2
203.14293	0.3
207.11664	0.3
209.13382	0.3
225.12732	0.6
228.06578	0.2
234.14076	0.2
249.16443	0.3
253.15828	0.2
271.16888	0.4
295.16852	1.3
313.17960	1.4
487.81238	0.2
491.16562	0.2
543.19769	0.2
558.24817	43.1
559.25226	1.5
560.25275	0.2
787.25104	0.2
1006.49634	1.5
1007.52448	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	1009.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03448	1.0
79.04230	0.2
79.05463	0.1
80.05011	4.3
81.03437	0.1
81.07046	0.2
84.21278	0.1
88.61124	0.1
91.05469	0.1
93.07037	0.1
95.04969	0.1
95.08601	0.1
96.04485	3.9
99.97963	0.1
105.07008	0.2
106.02905	1.2
107.08581	0.2
111.04436	0.1
117.06992	0.1
119.08572	0.4
121.10110	0.1
123.08094	0.1
124.03941	100.0
125.04259	0.5
127.03868	0.2
129.07054	0.1
131.08585	0.2
133.10141	0.2
137.06007	0.0
140.03394	0.2
141.06952	0.1
142.07782	0.1
143.08554	0.2
145.10060	0.3
147.11670	0.2
149.09581	0.1
155.08496	0.2
155.63957	0.1
156.09291	0.1
157.10083	0.3
158.10892	0.1
159.11685	0.2
161.09644	0.1
161.13237	0.3
163.07541	0.1
167.08507	0.1
169.10141	0.2
170.10849	0.1
171.11708	0.1
172.12447	0.1
173.13260	0.1
173.93697	0.1
175.11200	0.1
179.08508	0.1
181.10156	0.1
182.10896	0.1
183.11662	0.2
185.07108	0.1
185.13284	0.1
187.11099	0.1
187.14845	0.1
193.10149	0.1
194.10974	0.1
195.11693	0.1
197.09631	0.1
197.13213	0.1
203.14223	0.1
207.11798	0.1
209.13211	0.1
210.13901	0.1
211.14777	0.1
215.10855	0.1
221.13315	0.1
223.14667	0.1
225.12643	0.1
225.16379	0.1
227.10532	0.1
229.06087	0.4
234.13947	0.1
235.14815	0.1
253.15941	0.1
267.17453	0.1
269.15381	0.1
271.16971	0.2
295.16785	0.4
313.17917	0.3
436.21155	2.7
450.26834	0.1
559.24310	40.5
560.24664	1.4
579.31195	0.1
661.94397	0.1
684.83014	0.1
736.26147	0.1
882.90631	0.1
943.57007	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	1009.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45261	1.2
71.08627	1.9
72.94294	1.6
73.02877	1.3
79.05484	14.0
81.07047	14.6
83.04968	1.4
83.08580	1.8
85.02887	1.6
87.04439	2.5
89.06034	4.0
91.05463	12.8
92.99797	1.9
93.07042	14.8
93.26991	1.3
95.04972	4.8
95.08590	8.8
97.02884	1.4
97.06480	1.5
105.03384	1.6
105.04482	2.2
105.07017	11.3
107.01269	2.2
107.04944	2.0
107.08580	5.0
109.10148	4.0
115.05448	1.7
117.07027	2.6
119.04939	11.4
119.08562	3.0
121.02850	40.3
121.03771	2.2
121.10165	4.5
127.01518	3.3
129.07057	1.5
131.04919	3.9
131.08574	2.3
133.02921	1.7
133.10172	2.2
135.04431	1.9
135.11629	1.6
137.02354	2.2
142.66896	1.5
145.02823	7.5
147.04442	5.2
147.08014	1.9
149.02296	9.2
151.03888	12.4
151.04984	1.9
153.03151	2.0
159.04399	3.1
163.03873	13.4
167.03386	15.8
169.01363	1.9
173.06050	2.1
175.03943	4.3
177.05524	3.6
179.03293	1.5
187.03912	4.5
189.05527	1.7
191.03391	3.1
192.71043	1.4
193.01363	3.1
193.05013	1.7
195.02867	3.8
197.05984	1.7
201.01877	1.8
211.02336	4.1
213.05440	2.5
219.02899	2.7
227.07050	2.4
229.04945	2.2
231.02940	2.7
232.81017	1.6
239.07115	3.4
241.05055	3.0
248.30177	1.4
251.07091	7.0
255.06525	22.5
257.04532	5.5
259.13159	1.5
263.07187	2.3
265.05029	2.7
265.08557	2.4
267.06500	90.1
268.07233	3.8
269.04575	2.5
273.03885	11.4
276.07861	4.9
277.08603	29.1
279.06573	4.9
279.10034	1.9
281.04669	1.9
281.08093	5.9
283.06082	6.4
285.03983	4.3
289.08578	6.4
291.06464	5.6
291.09924	3.7
292.07346	2.4
293.08014	16.9
295.06018	16.2
297.03922	5.8
297.07437	2.4
297.11075	1.9
299.05487	4.9
303.04779	7.8
304.07324	2.3
305.07974	11.1
307.05969	5.7
307.09393	2.9
309.07501	4.1
311.05441	21.0
317.08090	6.9
319.06009	3.0
319.09518	2.6
320.06830	3.5
321.07553	9.1
323.05438	2.9
325.07169	2.5
327.05060	1.5
331.09399	1.8
333.07492	3.8
335.05484	2.4
335.25757	37.7
337.07031	2.3
349.07056	4.5
361.06921	7.7
361.17984	6.4
369.14746	2.5
377.17603	4.5
387.15851	12.5
389.17407	17.4
397.14368	3.1
403.15494	9.6
405.16949	26.4
407.18588	2.9
413.13837	2.8
415.15308	7.4
423.17792	3.7
431.14883	21.0
433.16403	55.6
441.13199	5.3
449.15897	13.6
451.17609	20.7
459.14279	5.9
463.21014	1.7
467.16956	5.7
469.18591	6.4
477.15384	35.0
489.19101	10.7
495.16452	100.0
496.16229	2.0
504.18475	1.5
507.20160	24.9
513.17126	3.5
525.21075	24.0
551.18854	4.0
569.20038	10.2
587.21161	42.2
749.39917	4.0
767.41541	13.8
785.42590	33.3
811.40405	2.1
829.41187	10.3
847.42401	30.8
1009.56793	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.1
58.96169	7.5
60.95850	1.0
70.99636	1.6
71.63138	0.9
79.01850	1.6
79.74203	0.8
82.99826	2.2
83.01499	2.4
91.79925	0.9
100.02487	1.4
100.97177	3.7
100.97956	1.3
101.00877	28.8
101.02562	6.7
102.00957	1.0
102.02209	1.6
118.54907	0.9
118.98203	2.5
118.98991	1.6
119.01913	100.0
119.03652	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03015	1.7
55.05506	2.4
56.05037	12.7
56.96574	1.3
57.03434	19.4
58.06595	5.0
58.96144	1.3
70.06577	2.0
70.14051	1.4
70.14387	2.6
71.06105	2.3
84.04498	13.7
84.05605	3.4
85.02898	80.2
95.08083	1.2
100.05093	2.9
101.00864	26.9
101.02575	3.5
101.03485	1.2
101.05875	8.1
101.07137	8.4
101.07825	1.6
101.10793	5.1
102.02258	1.8
102.05549	4.5
119.01912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02992	21.6
55.05513	0.3
56.01393	0.4
56.05030	4.3
56.96561	0.3
57.03413	0.3
57.04557	5.6
58.06598	1.3
58.96163	0.5
59.04980	0.4
67.35229	0.2
70.05330	13.0
70.35935	0.5
71.06113	12.3
73.26395	0.3
74.02436	1.1
74.06057	0.4
80.35472	0.3
82.99867	0.3
83.04836	3.7
84.04581	1.3
84.05621	47.3
85.02913	1.7
85.04018	3.7
85.05954	0.6
89.00269	0.3
100.05096	21.4
100.97182	0.3
101.00912	1.6
101.05875	100.0
101.07131	2.2
102.04263	2.7
102.05545	1.3
102.06194	0.9
102.06751	0.4
102.12798	0.4
106.51659	0.3
118.63249	0.2
119.01919	4.4
119.02752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0714
Annotation	N-Nitrosopyrrolidine
Peak:m/z	Relative Intensity
51.81138	0.2
55.02988	1.5
55.05503	0.2
56.01392	2.9
56.05031	5.5
56.83498	0.2
56.96562	0.5
57.03440	0.5
57.04556	0.4
58.06595	45.9
58.96163	0.6
59.04990	0.4
59.06926	0.4
59.93102	0.2
60.04529	0.3
65.80415	0.2
70.05324	0.7
70.70363	0.2
71.06100	1.1
72.04475	0.2
73.07675	1.0
74.02435	1.5
74.06084	0.5
83.04884	0.2
84.04499	6.2
84.05613	3.6
85.02897	2.1
85.04013	0.3
88.51252	0.2
100.05072	1.4
100.10157	0.2
101.00902	1.2
101.05888	8.1
101.07130	100.0
101.10786	0.5
102.05549	1.1
102.06126	0.2
102.06894	0.3
102.07456	1.2
102.09175	0.2
118.99028	0.2
119.01907	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	1010.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02897	0.8
73.06538	1.8
77.03915	1.0
79.05039	0.5
79.05483	7.5
85.83556	0.2
87.04452	2.6
89.06020	6.7
91.05466	3.4
95.04958	4.4
98.22606	0.4
103.04775	0.4
103.05454	7.0
103.07568	31.0
105.04606	1.3
105.07016	100.0
106.07343	0.5
113.05986	0.3
115.05407	0.3
116.06264	0.3
117.06985	0.4
117.09107	2.8
119.08572	0.7
121.06483	2.1
128.06224	0.5
129.06992	1.4
131.07021	0.8
131.08551	6.3
133.08597	5.1
133.10149	0.8
145.06453	0.3
147.08224	2.1
147.10139	14.6
149.09601	0.7
161.11740	0.7
165.07042	0.3
166.07803	0.3
169.59106	0.3
173.09569	0.4
175.09654	0.4
175.11098	0.4
177.11217	2.1
181.10190	0.4
191.10739	0.3
191.12804	0.9
204.14105	0.3
223.11166	1.0
225.12733	6.1
227.12711	0.3
235.15062	0.3
249.12700	0.4
251.14273	11.2
253.15904	2.4
267.13705	0.6
269.15298	1.3
295.16928	0.3
311.16309	0.6
313.17990	0.7
321.27374	0.2
327.17380	2.4
329.18954	11.6
353.18704	0.6
355.20404	0.8
357.20563	0.4
371.20200	0.4
373.21548	3.6
378.15814	0.2
415.22629	0.3
477.27847	4.8
670.60773	0.3
889.52350	0.5
993.57697	0.3
1010.43115	0.3
1010.62134	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	1010.62
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02911	0.6
73.06545	1.9
76.54474	0.4
77.03909	1.2
79.05491	5.7
87.04458	2.7
89.06030	7.6
91.05488	2.2
93.07114	0.4
95.04962	4.1
96.39914	0.4
98.23452	0.4
103.05460	5.4
103.07578	46.1
104.25294	0.4
105.04545	1.1
105.07027	100.0
106.07375	0.9
115.05441	0.4
115.07573	0.5
117.09131	3.4
119.08562	0.7
121.06517	2.5
129.06995	1.2
131.07048	1.2
131.08569	7.1
133.08597	6.8
133.10106	0.7
145.06534	0.6
147.08063	2.2
147.10158	23.1
149.09610	0.9
151.15984	0.4
161.11731	1.8
173.09596	0.6
175.09709	0.7
177.11182	3.3
181.10274	0.8
191.10573	0.6
191.12747	1.5
191.64034	0.4
221.13835	0.6
223.11150	1.7
225.12715	7.8
227.59393	0.4
235.15092	0.7
251.14310	11.5
252.14571	0.6
253.16025	3.0
267.17615	0.5
269.15332	1.1
283.17569	0.5
295.17200	1.0
311.16278	0.7
313.17892	1.0
327.17438	3.1
329.18973	18.0
353.19144	0.9
355.20731	0.5
357.20703	0.5
371.20096	1.2
373.21585	5.3
398.41449	0.4
462.51221	0.5
477.27924	6.2
714.13318	0.4
918.54889	0.5
1010.62170	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	1011.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
76.03206	1.2
77.03926	3.0
78.04710	3.2
79.05500	4.6
81.03410	2.9
85.02900	6.2
89.03918	5.0
91.05476	53.3
93.03405	2.4
93.07047	2.1
95.04958	8.1
97.02909	2.4
97.06481	1.0
102.04654	1.5
103.05459	8.4
105.03388	26.7
105.04512	3.3
105.07028	1.9
106.04187	8.3
107.04955	26.1
109.02847	1.3
115.05463	2.9
117.03383	6.1
117.07037	2.1
118.04178	2.7
119.04939	59.2
121.06507	12.0
123.04451	1.9
125.05953	2.4
127.03914	1.2
129.03349	3.9
129.04291	1.2
130.04143	3.8
131.04921	7.7
132.02066	3.8
132.05710	1.7
133.02817	2.1
133.06499	2.6
134.03633	5.8
135.04385	8.1
136.05225	1.5
137.05942	2.4
145.02853	6.0
145.03957	2.3
145.06476	6.0
147.00795	1.9
147.04395	55.4
148.05191	3.9
149.02351	2.5
149.05957	19.5
151.07553	2.2
153.05490	1.3
153.09097	3.3
155.06024	1.5
157.03929	7.4
159.04376	1.7
160.05247	1.7
161.05986	5.1
162.03072	6.3
163.03894	20.9
163.05144	1.9
163.07506	2.6
164.04683	1.9
165.01851	2.2
165.05496	1.3
167.07040	13.6
173.06009	2.4
175.03894	87.2
176.04726	6.3
177.05466	20.1
178.02785	1.2
179.07022	15.1
180.07881	2.7
181.04933	9.4
181.08546	7.0
182.09360	1.6
187.03842	1.5
188.04604	1.3
189.01840	4.8
189.05409	4.5
190.02657	4.6
191.03384	4.0
191.07007	25.1
192.04210	1.2
192.07925	1.6
195.02869	2.7
195.06535	2.5
203.03410	4.0
203.06993	2.1
205.04945	35.0
205.06812	2.1
206.05574	1.8
207.02907	3.7
207.06506	100.0
208.06982	2.4
209.08064	30.5
213.05414	1.5
215.03424	2.2
217.04979	4.7
219.03065	1.9
219.06459	5.3
221.04471	1.2
223.05994	2.2
224.06889	2.0
226.52000	1.2
231.02922	1.5
231.06532	3.4
233.07996	1.2
235.05786	1.4
235.07838	1.5
239.03563	1.7
245.08131	1.4
247.06018	1.3
249.07593	10.6
250.06313	1.2
251.06955	2.6
254.05942	1.2
255.02927	1.2
255.06493	2.7
259.70425	1.1
261.07648	1.5
263.07028	3.3
264.07471	1.8
265.05063	1.3
265.08554	3.1
267.06503	24.0
268.07065	6.0
269.07999	2.0
274.06360	1.2
277.08685	1.3
278.05710	13.4
279.06512	29.1
280.07162	2.8
281.04495	5.0
281.07748	5.5
283.06046	4.5
285.04123	1.6
289.08560	2.0
291.06458	35.0
292.07233	9.6
293.04510	4.4
293.08057	12.0
295.06180	5.8
295.09244	1.4
296.06763	4.9
297.04340	1.9
297.07535	11.9
301.08633	1.3
303.06451	10.8
304.07346	4.0
305.04666	2.4
305.08020	14.9
306.05142	1.6
306.08838	2.3
307.06049	6.8
307.09134	1.4
309.04208	1.8
309.07477	14.0
310.08240	2.5
311.09186	1.7
313.07886	1.3
315.06372	2.6
317.08047	8.6
318.08768	1.8
319.06006	5.4
319.09637	3.6
320.06717	10.1
321.07535	30.8
322.08090	1.3
323.05457	2.2
325.06967	5.2
329.07901	2.0
331.09683	3.2
332.06732	1.4
333.07532	18.5
334.08252	7.1
335.08820	6.2
337.07098	4.0
339.08759	1.9
341.07462	4.2
345.07645	8.7
347.09143	1.5
348.06302	1.7
349.07034	6.0
353.06589	5.0
353.10303	1.5
357.07568	5.4
358.08371	1.9
359.05286	1.5
359.09317	3.3
361.07050	6.0
362.07971	3.5
363.08563	13.1
367.10056	4.5
368.10568	1.3
369.07410	3.0
369.11835	9.9
370.08298	1.9
371.09158	1.6
372.06238	1.7
373.07010	3.0
375.08759	7.6
380.09833	1.2
381.09561	3.3
382.08264	4.4
383.09103	2.6
384.10147	2.1
385.07022	4.9
385.12680	11.9
386.07489	2.0
387.08667	10.9
389.06430	1.9
391.08472	1.3
395.08508	1.8
397.06915	1.3
398.08072	3.3
399.08456	6.6
401.10507	1.7
403.03876	1.4
405.09689	4.0
410.07886	1.7
411.08380	7.2
412.09631	2.5
413.05881	1.5
413.10638	1.6
414.06985	1.7
415.07935	6.7
422.09628	1.4
423.10156	2.5
424.09207	1.8
425.10211	3.8
427.07986	31.8
428.08911	8.9
429.09821	2.6
430.10510	16.7
433.09024	1.9
435.08926	1.8
437.09641	2.4
439.07709	9.3
440.09277	1.5
441.11099	4.3
443.11240	72.5
444.11838	3.3
445.12869	9.3
447.10229	1.9
449.10187	3.1
451.11395	4.5
453.09625	12.3
454.10388	2.0
455.11377	11.3
456.11642	1.8
457.13556	1.6
458.10147	3.3
459.10803	2.1
465.11807	4.8
467.11398	3.1
469.12878	18.7
471.10699	46.6
472.11261	1.5
473.12299	28.8
477.09891	2.1
481.12500	1.4
483.09631	1.4
483.14374	5.0
485.12210	2.7
489.11359	2.0
493.12927	2.0
495.11087	3.6
497.12344	15.8
499.13589	4.0
501.11713	38.7
502.11652	1.7
505.09134	2.7
509.12091	6.1
511.13773	3.7
513.11334	5.6
514.12146	2.7
515.13452	4.1
521.12134	8.7
525.11786	34.8
527.13269	3.0
537.11682	4.4
539.13544	7.5
543.13635	5.9
545.14374	3.5
547.17944	4.2
549.11737	9.5
555.04755	2.3
555.12817	33.3
557.14044	2.9
567.04309	2.0
567.12817	30.8
568.13104	1.6
569.14514	2.3
579.12616	1.4
585.04498	1.4
585.13794	18.7
603.14911	8.0
609.14105	2.2
611.15247	2.0
619.17102	1.5
621.14966	1.8
622.16779	6.4
627.14606	3.0
633.15833	16.3
635.17798	6.0
636.18243	7.6
645.15747	7.5
646.16272	1.9
647.17279	4.2
649.19110	1.5
651.16998	13.5
652.16187	1.2
659.17542	8.9
663.17072	33.5
664.17798	19.5
665.18243	3.1
669.16046	5.5
675.16339	2.3
677.18640	2.1
681.17328	1.5
687.17047	23.5
688.17944	5.1
689.18500	3.7
699.16718	3.3
705.18494	1.6
711.16754	4.1
717.18726	6.6
719.19904	1.5
723.20374	2.6
729.18292	7.5
730.18451	2.5
747.19226	14.9
748.19330	3.2
749.19855	1.6
765.19910	9.7
766.20850	6.7
777.21417	1.9
783.20837	4.5
784.21326	3.2
789.21405	1.8
807.23792	1.3
813.23773	3.9
825.24365	6.5
843.25281	6.6
867.24231	4.7
897.25452	1.5
909.26385	2.5
927.25781	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	1011.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04467	2.8
75.89066	1.3
76.03147	2.5
77.03924	3.7
78.04714	6.4
79.05491	5.1
85.02908	5.3
85.04697	1.2
89.03910	12.7
90.97435	1.2
91.05478	96.4
93.03399	10.4
93.07045	5.2
94.09245	1.3
95.04959	11.4
97.02889	1.6
97.06564	3.3
98.23434	2.1
101.03905	1.8
102.04697	1.5
103.05459	13.3
104.02626	1.8
105.03391	25.9
105.04524	4.0
106.04178	26.7
106.04903	1.6
107.04971	8.9
109.02872	1.9
109.06525	2.6
109.20552	1.3
115.05456	1.7
117.03378	11.5
117.07024	3.8
118.04153	3.5
119.04938	97.3
120.61859	1.3
121.02835	2.0
121.06500	33.5
123.04413	3.8
124.05190	1.6
125.05978	7.4
129.03375	4.8
130.04134	2.8
131.04939	7.6
132.02071	7.9
132.05708	1.9
133.02849	5.4
133.06470	3.3
134.03624	16.4
135.04381	8.7
136.05176	1.5
137.06007	4.1
145.02869	14.1
145.06473	3.7
146.03619	2.7
147.00764	2.4
147.04404	78.8
148.05176	4.6
149.02315	3.9
149.05978	43.4
151.07535	1.7
153.05418	2.9
153.09061	9.0
154.06261	1.7
157.03928	10.0
159.04364	1.8
160.01575	1.9
160.05139	1.4
161.05994	4.6
162.03105	18.0
163.03877	11.5
163.07445	2.5
164.04663	2.3
165.01852	2.9
167.07018	14.3
173.05951	1.7
174.03139	2.0
175.03902	99.7
176.04683	7.0
177.01791	1.7
177.05460	52.7
177.06985	2.9
178.02638	1.9
179.03439	3.3
179.07021	13.1
179.08501	2.3
181.04988	7.2
181.08623	17.2
182.09303	2.6
185.05878	1.4
187.03920	1.5
189.01817	5.2
189.05423	3.6
190.02585	16.9
191.03409	4.8
191.07054	12.4
192.04147	4.3
192.07782	3.5
195.02921	1.8
195.06493	2.7
201.01918	2.0
203.03403	4.4
204.04211	1.7
205.04950	86.7
206.05566	2.0
207.06512	100.0
209.08073	85.9
210.08820	4.7
211.06007	2.9
215.03477	1.8
217.04990	4.1
219.06505	14.8
223.05948	3.1
227.06897	2.0
231.06512	2.5
247.05814	2.8
249.07617	8.6
251.07059	2.5
252.07838	2.3
255.06430	1.8
263.06906	3.0
265.08759	1.7
267.06488	14.4
268.07236	4.8
275.06921	1.7
277.08633	2.5
278.05713	6.6
279.06451	30.8
280.07254	3.0
281.04800	1.3
281.07990	6.6
283.05960	2.4
291.06458	27.6
292.07275	11.8
293.04837	2.5
293.08063	13.0
295.06046	7.0
296.06754	4.3
297.07553	22.8
303.06436	8.1
304.07303	4.2
305.08029	15.8
306.08636	2.1
307.05978	6.0
307.09750	3.8
309.07547	22.5
310.08475	2.3
315.06250	1.4
317.07950	9.2
319.05945	5.6
319.09418	3.0
320.06650	4.8
321.07562	33.5
323.05569	2.6
325.07166	3.2
329.07867	2.2
331.05954	2.5
331.09686	6.1
333.07416	15.5
334.08411	4.0
335.05493	2.5
335.09171	5.1
337.06995	7.8
338.08344	2.6
339.08636	2.6
341.07913	3.0
345.07492	8.2
347.09091	3.3
349.06854	2.1
351.08969	2.0
355.09406	2.0
357.07544	5.4
359.09222	3.4
360.06277	2.1
361.07031	6.5
362.07809	2.6
363.08664	12.8
367.10049	6.1
369.07571	3.0
369.11746	7.2
371.09207	2.6
373.07047	3.1
375.08798	9.0
379.08978	1.8
381.09711	2.7
382.08682	2.0
383.09399	2.9
385.07007	2.7
385.12161	2.1
387.08521	13.0
389.06552	15.7
391.08270	3.2
393.09497	4.4
395.09140	3.1
399.10980	8.0
401.06055	1.8
401.10645	2.0
405.10052	7.2
406.08548	2.3
407.08844	3.0
410.07620	1.8
411.09595	2.1
412.09399	2.1
413.10239	4.0
414.07190	1.5
415.08044	5.7
417.12067	6.7
419.08224	2.0
422.07761	2.7
423.10083	4.1
427.08160	8.3
427.13504	2.3
428.09009	2.8
429.09833	3.3
430.10532	10.9
431.11368	2.4
435.08936	2.2
436.09540	2.5
437.10114	4.5
439.08267	2.5
440.10242	1.6
441.11853	19.8
443.11340	21.6
445.12546	5.4
447.10464	2.0
448.09644	2.4
449.10202	2.6
453.10321	3.0
455.11435	2.5
457.08868	4.2
459.12164	2.3
465.11057	6.0
466.10376	1.9
467.11267	2.1
468.12082	2.0
469.11862	2.6
471.10452	8.3
473.12369	28.7
479.11017	2.9
481.09174	4.0
482.10312	4.1
483.12613	6.7
485.12296	8.2
491.09686	1.7
492.08041	1.8
493.08820	2.0
495.11194	3.4
496.11655	1.8
497.12390	7.3
499.14102	10.6
501.11777	41.0
507.12433	4.3
509.10757	5.9
511.13007	2.3
513.11670	4.3
514.12689	3.7
515.13416	1.9
519.12677	4.4
525.11951	17.6
527.13123	6.9
529.11267	5.4
539.13257	4.5
543.13098	19.8
544.13245	1.8
549.11169	1.9
555.12787	12.1
557.14178	4.7
561.15515	2.4
565.16467	2.3
567.12958	8.4
569.80365	1.5
573.13696	5.3
579.12769	2.2
585.13861	39.9
591.12891	2.0
593.16687	7.6
597.13904	6.8
601.16760	5.1
603.14929	79.1
605.16089	6.0
609.13782	3.2
617.16394	2.3
619.18109	7.8
621.15833	2.6
627.15057	10.8
633.15497	2.8
639.15930	2.9
645.15973	23.6
646.16443	2.0
649.15576	4.3
663.17102	49.1
664.17700	8.4
665.18127	5.2
669.15680	1.9
687.16547	6.1
717.18536	3.2
721.21564	2.9
729.18610	1.8
735.19250	3.2
747.18823	3.6
765.20673	11.1
766.20380	2.4
783.21405	12.9
784.21771	15.3
843.24243	5.2
855.23682	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	1011.312
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03926	2.4
78.04691	3.2
79.05476	4.1
81.03407	3.0
85.02887	4.2
89.03900	5.6
91.05471	52.4
92.13907	1.2
93.03396	3.3
93.07043	2.9
95.04958	10.3
97.02899	3.2
99.87646	1.4
102.04664	1.7
103.05446	6.9
104.02559	1.3
105.03385	26.7
105.04484	3.7
105.06984	2.3
106.04166	8.1
107.04948	26.9
115.05413	2.9
117.03368	4.2
117.06970	2.7
118.04161	1.7
119.04930	61.7
121.06501	9.9
123.04404	3.1
125.06014	2.0
127.03915	2.0
129.03343	4.2
130.04146	2.5
131.04898	6.4
132.02075	3.1
132.05693	1.7
133.02834	4.0
133.06508	2.8
134.03613	5.1
135.04401	9.1
137.05902	2.4
145.02881	6.1
145.06462	4.2
147.04395	50.5
148.05193	3.2
149.02350	2.8
149.05966	15.8
151.03894	2.1
151.07581	2.0
153.05493	2.6
153.09082	3.4
157.03983	6.0
159.04384	2.6
160.05173	3.4
161.05966	5.9
162.03117	5.1
163.03874	20.3
163.07489	1.3
164.04634	1.9
165.01848	4.0
167.07031	10.5
173.05965	2.5
175.03889	89.9
176.04623	6.8
177.05449	22.4
179.07007	15.1
180.07764	2.2
181.04936	7.3
181.08571	4.7
185.05725	1.2
189.01778	6.3
189.05475	3.1
190.02568	5.7
191.03346	3.4
191.07033	24.8
192.04201	2.7
194.05771	1.3
195.06557	3.2
203.03400	4.8
203.06911	1.4
205.04956	30.5
207.03151	3.0
207.06497	100.0
208.06937	1.4
209.06097	2.4
209.08041	21.4
215.03358	1.4
217.04910	4.2
219.02893	2.3
219.06473	5.5
221.07996	1.8
223.05916	2.5
227.03351	1.7
231.06516	3.2
238.06160	1.8
244.78746	1.5
247.05800	1.9
249.07562	10.1
250.06253	3.3
251.07155	3.8
252.07599	1.6
255.03026	1.7
255.06488	2.7
261.07700	2.0
263.07040	3.4
264.07791	1.9
265.04950	2.5
265.08524	3.6
267.06485	21.3
268.07233	5.5
269.08121	2.9
276.07626	1.4
277.08655	1.8
278.05698	15.5
279.06488	29.7
280.07132	2.8
281.04410	5.2
281.08005	5.7
283.05890	2.6
289.08627	2.0
291.06470	37.7
292.07172	10.2
293.04666	2.2
293.07889	13.1
295.06027	7.5
296.06744	5.0
297.07532	12.2
301.08414	2.8
303.06500	7.5
304.07266	4.6
305.04739	2.9
305.07983	17.4
306.05133	2.2
306.08737	2.2
307.06342	6.5
307.09384	2.9
309.07550	15.3
310.08490	1.8
313.08395	1.6
315.06207	1.5
317.08093	8.5
319.05930	5.7
319.09457	3.1
320.06744	7.9
321.07495	30.9
325.03506	2.0
325.07080	6.0
329.07883	2.9
331.05978	2.0
331.09601	3.7
333.07529	16.7
334.08221	5.9
335.09079	6.0
337.06909	1.6
341.07495	1.9
344.06607	1.6
345.07584	9.9
347.09103	2.2
349.07001	4.0
351.08450	1.7
353.06543	4.0
354.09116	2.7
357.07401	6.2
358.08249	2.9
359.09097	5.0
361.06833	6.2
362.07523	2.9
363.04437	1.8
363.08588	13.1
366.08844	1.9
367.09915	4.0
368.10941	1.8
369.07495	3.3
369.11731	7.5
371.09283	2.4
372.06268	3.4
373.06976	3.2
375.08569	6.4
381.09650	2.0
382.08249	6.9
383.09012	2.0
384.09653	2.6
385.07440	7.9
385.12180	7.4
387.08563	11.7
389.06473	1.7
391.08173	2.9
393.09518	1.9
395.08511	1.9
398.07889	4.9
399.09085	5.5
405.09775	2.4
407.08914	1.7
408.09860	2.2
411.08316	7.4
412.09537	3.3
413.06012	1.7
413.10809	1.8
414.07083	2.1
415.07687	6.0
417.09274	1.8
422.10098	1.8
423.09558	1.8
424.09302	2.1
425.10135	2.9
427.08017	37.2
428.08649	6.1
429.09671	3.0
430.10458	18.6
437.09662	2.9
439.07578	7.5
440.09494	1.6
441.10959	3.9
443.11252	72.3
444.11554	1.4
445.12747	8.6
447.10776	1.6
449.09750	1.7
451.11337	4.5
453.09531	9.9
454.10089	3.0
455.11111	11.0
457.13205	2.0
458.10046	3.1
459.11035	1.5
464.09610	1.4
465.13007	3.5
467.11307	3.7
469.12823	20.2
471.10648	48.5
473.12363	31.0
483.14075	5.1
485.11914	1.8
495.10718	2.4
497.12424	15.3
499.13867	3.7
501.04504	2.4
501.11697	38.4
507.12848	2.1
509.11969	5.6
511.13495	4.5
513.11700	5.8
514.12268	2.7
515.13092	2.3
521.12079	7.6
523.09894	1.4
525.11816	28.9
526.12427	1.9
527.13147	3.0
537.11682	4.8
539.13141	7.0
543.12885	5.1
545.13757	2.4
547.18292	3.4
549.11749	7.7
555.04785	2.2
555.12793	33.4
557.13776	3.1
567.12762	30.6
568.13129	2.1
569.14178	2.4
585.13672	16.1
603.15088	8.9
611.15057	2.6
622.16309	5.6
627.14722	2.4
633.15741	12.6
633.44794	1.6
635.17255	6.0
636.18713	7.6
645.16119	6.6
646.16962	2.2
647.17529	4.6
649.18292	2.1
651.17139	11.1
659.17188	7.7
663.06848	2.2
663.17078	35.1
664.17780	17.7
665.17993	3.5
669.16187	6.5
677.18042	2.3
681.17578	2.1
687.16864	22.0
688.17725	6.7
689.18762	2.2
699.16486	2.1
711.16455	2.6
717.17639	5.2
718.18158	1.6
723.20032	2.1
729.18311	7.1
730.18109	3.3
731.19159	1.7
747.19318	15.0
748.19934	1.6
749.20294	3.4
765.20313	7.7
766.20367	4.9
783.20874	2.5
784.21204	2.5
789.20978	1.5
813.22839	4.1
825.23651	7.4
843.24078	4.4
867.24036	7.1
909.25079	2.1
941.72424	1.6
945.26764	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	1011.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02955	0.3
77.03946	0.4
79.05486	6.1
79.05935	0.5
81.03436	0.5
81.07052	6.4
83.04964	0.4
83.08635	0.8
85.02932	0.6
91.05463	4.3
93.03385	0.4
93.07043	5.1
95.04958	2.4
95.08594	4.5
95.09136	0.4
97.02877	0.4
97.06567	0.3
97.10178	0.6
98.11218	0.3
105.03407	1.2
105.04529	0.6
105.07027	2.3
107.04977	1.1
107.08572	2.4
109.06509	0.4
109.10165	1.5
109.71207	0.4
111.04476	0.7
117.07057	0.9
119.04958	2.3
119.08614	1.4
121.02859	34.4
121.06474	0.8
121.10106	1.7
123.04472	0.4
126.81836	0.3
129.06990	0.7
131.04959	0.7
131.08557	1.6
133.02873	0.6
133.06499	0.6
133.10162	0.9
135.04442	1.0
135.08163	0.4
135.11728	1.0
137.02406	0.4
145.02917	1.3
145.06512	0.7
145.10226	0.5
147.04413	2.8
149.02357	0.7
149.05991	0.6
149.09593	0.4
151.03896	7.4
155.08519	0.4
155.66971	0.3
156.99887	0.3
157.06531	0.5
159.04445	0.8
161.06068	0.5
163.03897	3.9
165.05522	0.7
167.03461	0.5
168.09346	0.3
169.01524	0.4
173.06053	0.6
175.03963	1.1
177.05511	0.5
179.03419	0.5
183.08119	0.4
187.03990	0.6
191.03400	0.4
193.04910	0.4
195.02892	3.4
195.08066	0.4
201.05646	0.5
203.03340	0.4
203.07083	0.5
211.07509	0.5
213.05498	0.6
215.07132	0.6
217.05023	0.6
223.07625	1.4
226.06299	0.6
227.07159	0.5
229.04897	0.4
233.06189	0.4
237.09201	1.0
238.06419	0.5
239.07004	22.0
240.07774	0.9
241.05191	0.5
241.08620	1.5
243.06529	0.5
247.13400	0.4
250.06335	0.6
251.07037	11.5
251.09665	0.6
252.07805	2.9
253.04993	0.5
253.08560	3.4
254.09427	0.6
255.06509	1.6
255.10455	0.5
259.06149	0.3
263.07224	0.4
265.05081	2.2
265.08707	5.3
266.09540	0.6
267.06528	7.6
267.09793	0.5
268.07346	1.1
269.08112	3.7
270.05356	0.7
276.08011	0.4
277.08594	4.3
277.11276	0.4
278.06186	0.5
278.09277	0.8
279.06708	1.6
279.10275	2.6
280.07254	0.3
281.08081	2.6
283.05933	3.7
285.04175	0.4
287.05362	2.1
287.12933	0.4
289.08502	0.8
290.09448	0.6
291.06995	0.5
291.10309	2.5
292.07449	0.6
293.08170	2.7
293.11725	1.0
295.06137	3.8
295.09653	1.2
295.12781	0.4
296.06732	0.4
297.07593	0.8
299.05588	1.0
303.10229	0.9
305.08203	2.1
305.11578	0.8
307.06195	0.8
307.09720	1.0
308.06876	0.4
309.07578	1.9
311.05573	1.5
311.08954	0.5
313.07318	0.4
319.09808	0.8
321.07690	1.0
323.05634	0.6
323.09247	0.8
335.16406	8.2
335.25757	7.1
337.17975	0.7
339.08789	0.6
345.14896	0.9
349.07141	0.6
349.18121	0.8
351.19766	1.0
359.16678	0.5
361.14526	0.6
361.18246	1.3
363.15872	14.2
365.17557	2.7
371.16595	0.6
373.14383	0.9
375.16010	0.8
377.17310	1.9
379.14948	3.5
379.19528	3.1
381.16824	0.6
387.15900	0.6
389.13303	0.5
389.17636	3.8
391.15149	2.8
393.17001	1.6
395.18723	0.4
405.17038	7.4
407.14819	8.1
407.18826	8.4
408.15012	0.4
409.16367	1.7
415.15469	1.4
417.17184	2.9
419.14987	0.8
423.18130	3.5
425.20029	1.1
433.16425	10.3
435.18253	10.4
436.18945	0.4
451.17496	13.9
452.17978	0.6
453.19138	9.3
461.15891	8.3
463.17053	0.4
471.20020	2.5
479.16995	18.9
480.17566	0.7
497.18033	21.5
509.22482	1.8
515.19141	1.7
527.22644	6.6
527.29749	0.5
553.20758	2.0
571.13196	0.4
571.21698	7.9
589.22766	23.5
769.43323	1.0
787.44061	16.1
788.45013	0.4
805.45270	1.1
813.41504	0.6
817.40863	0.5
831.42926	12.2
849.44073	100.0
850.44391	2.8
1011.57617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05484	4.9
81.03438	0.4
81.03854	0.2
81.07046	4.7
83.05002	0.4
83.08615	0.5
87.66982	0.3
91.05467	4.2
91.05973	0.3
93.07032	4.1
95.04960	2.1
95.08599	3.8
97.02904	0.4
97.10180	0.5
98.23449	0.4
103.05494	0.3
105.03391	0.6
105.04514	0.5
105.07027	2.1
107.04980	0.7
107.08598	1.8
109.10137	1.1
111.04453	0.5
115.05486	0.3
117.07035	0.6
119.04938	2.4
119.08598	1.0
121.02857	26.2
121.03938	1.0
121.06489	0.5
121.10141	1.1
122.03267	0.2
123.08133	0.3
123.11714	0.3
129.07057	0.5
131.04950	0.6
131.08595	1.1
133.02896	0.5
133.06525	0.6
133.08612	0.3
133.10129	0.7
135.04434	1.0
135.11751	0.5
137.02325	0.2
145.02892	0.9
145.06519	0.7
145.10133	0.6
147.04399	2.2
147.11673	0.3
149.02318	0.4
149.06068	0.3
149.13388	0.3
151.03900	6.1
151.05031	0.5
157.06537	0.5
157.10086	0.3
159.04417	0.6
159.08147	0.3
159.11720	0.4
161.05988	0.4
163.03893	2.5
165.01851	0.5
165.05505	0.6
167.03407	0.6
169.06567	0.3
173.06007	0.6
173.13335	0.3
175.03975	0.6
175.07671	0.2
177.05464	0.4
179.03415	0.6
183.08102	0.4
185.06061	0.5
187.03920	0.5
187.07521	0.3
189.05440	0.3
191.03357	0.3
193.04985	0.4
195.02885	2.3
199.03957	0.3
199.07733	0.3
200.04358	0.2
201.05511	0.4
205.05022	0.4
211.07565	0.4
213.05466	0.7
215.07121	0.5
222.06870	0.3
223.07558	1.4
226.06319	0.3
227.06947	1.2
229.04930	0.3
237.09169	0.7
238.06367	0.6
239.07011	18.6
240.07730	0.7
241.08665	0.8
243.06586	0.3
247.13493	0.3
250.06277	0.3
251.07010	10.0
252.07779	3.2
253.05110	0.3
253.08583	2.6
254.05751	0.3
254.09311	0.5
255.06586	1.3
255.10191	0.3
257.04523	0.7
261.11353	0.3
263.07156	0.5
264.07822	0.5
265.05087	1.7
265.08698	4.5
266.06033	0.2
266.09384	1.0
267.06522	6.6
267.10172	0.7
268.07202	0.6
269.08096	3.0
269.11322	0.3
270.05328	0.7
271.06155	0.5
276.07703	0.5
277.08551	3.1
278.05621	0.2
278.09482	0.5
279.06628	1.3
279.10193	1.7
280.07339	0.5
281.08099	2.6
282.08926	0.4
283.06024	2.6
283.09393	0.4
285.07526	0.3
286.04895	0.3
287.05560	0.8
289.08713	0.9
291.06781	0.5
291.10266	1.4
292.07452	0.6
292.10870	0.3
293.08151	2.1
293.11435	0.5
295.06049	3.9
295.09540	0.7
296.06891	0.6
297.07727	0.9
299.05557	0.6
303.05008	0.3
303.10223	0.8
305.08356	1.3
305.11389	0.5
307.06046	0.8
307.09714	1.0
309.07584	1.4
311.05588	1.2
311.08868	0.4
313.07050	0.3
319.09763	0.5
321.07758	1.0
321.11276	0.4
323.05692	0.4
323.09207	0.9
325.07230	0.3
335.16391	6.4
335.25745	4.5
337.06992	0.3
337.10825	0.3
337.18188	0.5
339.08755	0.6
345.14865	0.9
347.16602	0.7
349.17999	0.3
351.19626	1.0
359.16486	0.5
361.14133	0.8
361.18164	0.8
363.15860	12.1
364.16376	0.3
365.17422	2.4
371.16595	0.5
373.14667	0.7
375.16074	0.7
377.17499	1.6
379.15359	3.3
379.19275	2.9
381.17001	0.3
387.16058	0.8
389.13678	0.5
389.17798	2.5
391.15158	2.4
391.19632	0.4
393.16953	1.5
395.18845	0.4
399.16110	0.6
405.16977	6.1
407.14825	7.0
407.18802	6.7
409.16495	1.1
415.15298	1.3
417.17068	2.9
420.71100	0.3
423.18030	2.7
425.15866	0.7
425.20523	0.3
433.16437	9.5
433.22275	0.5
435.18140	8.6
436.18753	0.3
443.15106	0.5
451.17490	11.2
453.19159	4.7
461.15872	7.0
469.18790	0.9
471.20288	1.8
479.16968	16.1
495.16452	0.4
496.16580	0.3
497.18005	21.2
498.18262	0.4
509.21991	2.0
515.19031	1.7
527.22791	7.3
553.20673	1.5
571.21643	6.1
589.22723	12.7
769.43274	0.8
787.43927	7.6
805.45050	0.5
813.41974	0.7
815.44098	0.3
831.42963	6.9
849.44061	100.0
850.44189	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	1011.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04951	0.2
78.21447	0.2
79.05490	4.6
81.03410	2.4
81.07050	4.2
83.04983	0.5
83.08598	0.7
84.04495	2.0
91.05474	4.0
91.06022	0.2
93.07038	4.3
95.04953	2.1
95.08596	3.9
97.02859	0.3
97.06532	0.3
97.10148	0.2
101.07117	0.3
105.03374	0.3
105.04519	0.5
105.07013	2.3
107.04973	1.6
107.05579	0.2
107.08579	1.8
109.10132	1.1
111.04440	3.0
115.05447	0.4
115.20629	0.2
115.79639	0.2
117.07024	0.8
119.04937	2.7
119.08566	1.6
121.02857	100.0
121.03872	3.4
121.10143	1.0
122.03167	0.4
123.04404	0.3
123.08082	0.3
124.03897	0.4
129.06999	0.7
130.05008	1.8
130.84041	0.2
131.08585	0.9
133.06485	0.6
133.10124	0.8
135.04428	0.8
135.08083	0.3
135.11690	0.5
137.02342	0.6
137.05956	0.4
141.06889	0.3
141.18263	0.3
143.08493	0.4
145.02873	0.7
145.06519	0.3
145.10141	0.3
147.04388	2.4
147.07623	2.5
147.11646	0.7
148.04755	0.5
149.02303	0.4
149.05992	0.4
149.09633	0.4
151.03932	0.9
155.08536	0.3
157.06488	0.3
157.10123	0.9
159.04463	0.4
159.08040	0.4
159.11691	0.4
161.05978	0.8
161.09598	0.3
163.03894	4.6
167.03310	0.3
169.01263	0.5
169.06503	0.2
171.04553	0.4
173.05997	0.5
173.09633	0.4
173.13261	0.6
175.03915	0.8
175.07632	0.3
175.11104	0.4
177.05481	0.6
179.03389	0.6
183.08046	0.3
185.06026	0.3
187.03856	0.3
187.07634	0.3
187.11206	0.3
189.05516	0.6
191.03412	0.4
195.02975	0.3
195.06496	0.3
195.08067	0.3
201.05417	0.4
201.12682	0.3
203.03438	0.3
203.06871	0.4
205.05000	0.5
215.03464	0.4
215.07024	0.3
217.05016	0.4
217.12302	0.3
223.02525	0.3
223.07587	0.4
225.12875	0.4
227.06938	0.2
227.10771	0.4
233.04335	0.3
235.11363	0.3
237.09111	0.3
239.07018	1.0
241.04907	0.4
241.08517	0.3
243.13765	0.4
245.11826	0.4
250.14352	0.3
251.07028	1.2
252.07651	0.4
253.08691	0.6
255.06445	1.5
257.04538	0.5
259.06174	0.4
261.14893	0.4
265.08591	0.4
267.06516	2.6
267.16022	0.8
268.07144	0.7
269.04819	0.3
269.08084	0.9
271.06165	0.4
271.13287	0.3
273.39468	0.3
277.08655	0.4
279.06598	1.0
279.10104	0.5
280.07318	0.3
281.08194	1.0
283.06100	0.8
285.04272	0.4
285.07602	1.2
287.05472	7.0
287.08588	0.4
287.12772	0.4
291.06729	0.4
293.08160	1.0
295.05936	1.4
295.09332	0.3
299.05536	1.3
299.08740	0.2
299.12784	0.3
303.10165	0.3
307.06036	0.4
307.09586	0.4
309.07471	0.6
311.09134	0.3
313.27432	1.5
315.12512	0.3
315.15970	1.0
317.14035	0.5
321.07773	0.6
323.05569	1.0
335.16742	0.3
335.25772	4.2
343.11920	0.3
361.13330	0.3
363.15805	1.4
379.15411	0.9
387.15729	0.3
389.17639	0.7
391.15237	2.6
393.17026	1.0
405.17169	1.1
407.14676	0.9
407.19220	1.9
409.16321	2.7
417.17377	0.6
423.18225	0.7
425.20038	0.4
433.16214	1.4
435.13162	0.5
435.18701	5.9
451.17410	1.7
453.19186	6.0
461.16187	1.4
471.20102	0.6
479.16940	7.9
483.19946	0.3
497.18045	14.0
501.20847	0.3
505.39114	0.9
509.21738	0.8
515.19025	2.7
527.22925	4.3
545.23657	1.1
553.20837	2.6
571.21661	9.4
589.22723	14.1
590.23126	0.4
773.61145	0.3
787.44165	2.6
805.45239	4.5
813.42212	0.6
831.42981	11.6
832.43951	0.4
849.44073	52.5
850.44012	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04997	4.9
71.05361	0.7
71.43159	0.6
73.02908	4.2
75.04489	0.9
81.03423	1.2
83.04978	2.5
85.02907	12.8
87.04466	0.6
91.05486	3.3
93.03382	0.9
95.04954	5.7
96.04522	0.7
96.83208	0.5
97.02889	4.2
103.05471	5.8
104.04963	0.5
105.03384	1.6
105.06976	0.5
107.04930	1.0
109.02874	3.3
110.06043	19.7
111.04458	2.9
115.03929	3.8
119.04978	0.8
121.02863	12.2
122.06064	0.6
127.03923	1.1
129.05481	5.2
131.04924	25.7
133.02826	2.2
133.04959	1.2
135.04425	1.9
137.02348	1.6
138.05501	9.7
138.06581	0.5
139.03915	2.1
145.04871	0.5
147.00806	3.5
147.06491	3.5
149.02290	0.5
150.05533	1.4
151.03937	3.3
151.07553	6.8
153.05507	0.5
160.03964	1.1
161.02332	6.6
161.05974	0.5
163.03912	1.7
163.07512	0.6
164.03505	1.7
165.01810	4.5
165.09117	1.1
167.03381	1.2
169.04996	1.1
169.08636	2.4
171.06525	0.5
177.01761	0.8
178.04996	5.9
179.03426	5.1
179.07037	0.8
179.08498	0.5
181.08614	1.2
183.02969	0.5
187.00232	2.3
188.03433	1.4
189.01820	13.6
193.08618	1.9
195.02916	4.2
196.06075	1.7
197.04477	1.3
199.05888	0.5
204.02911	3.1
205.01335	9.1
206.04486	44.8
207.02945	5.3
207.04814	0.8
208.33124	0.5
214.99776	5.8
219.08200	0.6
221.09602	0.6
222.04019	1.7
223.02443	2.8
223.07532	0.8
224.05540	5.7
225.03999	1.3
225.07597	1.8
232.02396	3.6
233.00812	11.0
233.03111	0.8
237.09088	2.0
243.08667	2.8
245.46585	0.5
247.07494	1.0
250.03490	8.8
251.01881	1.3
251.07053	1.3
258.06064	0.6
261.11429	1.0
263.07239	0.6
265.08496	4.6
265.10858	0.8
268.04495	1.5
273.09766	1.2
275.07111	0.9
275.46973	0.5
277.10788	0.9
279.10526	6.9
281.08054	1.0
282.11240	2.0
291.06516	5.4
293.08081	8.4
295.06079	0.6
308.09125	2.7
309.07568	1.5
309.11786	2.6
310.10724	100.0
311.11273	1.2
315.14313	0.5
326.10214	8.4
326.13751	0.7
328.11761	10.4
329.10181	0.6
336.08664	1.6
337.07080	1.9
346.12915	1.7
354.09705	44.2
355.09827	0.4
372.10818	6.1
390.11804	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	1016.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04982	0.6
73.02911	2.1
73.06551	1.0
73.69820	0.2
77.03931	1.2
78.99502	1.3
79.05484	7.7
87.04464	2.3
89.06024	6.9
91.04932	0.4
91.05468	4.5
95.04958	4.4
103.04758	0.3
103.05457	6.0
103.07579	1.8
105.04513	1.5
105.07018	100.0
106.07343	0.9
107.69550	0.2
113.00008	3.8
113.06027	0.5
115.05453	0.4
115.07569	0.6
116.06207	0.4
117.06992	0.8
117.09123	1.8
119.04959	0.3
119.08567	0.7
121.06498	2.0
127.01556	27.2
128.06261	0.3
129.06949	1.2
131.07004	0.6
131.08554	7.8
133.08600	5.0
133.10147	0.8
139.01535	8.5
145.06491	0.6
147.08012	1.9
147.10144	1.2
149.09581	0.8
153.03101	26.1
154.03416	0.3
159.10132	0.8
161.11652	0.5
165.06973	0.6
165.09099	0.3
166.07712	0.5
167.08575	0.2
169.10060	0.2
173.09572	0.5
175.09682	0.5
177.11163	1.4
179.08551	0.4
181.10052	0.5
183.04163	3.8
184.81708	0.2
191.08504	0.2
191.10541	0.2
192.09241	0.3
197.05717	15.2
207.11523	0.3
209.11566	0.4
209.13333	0.4
212.92624	0.2
215.06764	0.3
219.62021	0.2
223.11145	1.0
225.12711	5.3
227.06737	1.7
227.12811	0.3
229.88026	0.2
235.14886	0.4
241.08310	4.9
249.12692	0.6
251.14282	11.6
253.15965	2.8
259.09467	0.7
267.13779	0.7
269.15240	1.2
271.09406	2.0
271.15347	0.5
277.15811	0.3
285.11023	1.9
295.16910	0.8
302.64142	0.2
303.11972	0.7
311.16397	0.5
313.17889	0.8
315.11969	1.3
327.17355	2.7
329.13535	0.6
329.18964	12.8
347.14529	0.8
353.18863	0.6
355.20456	0.6
359.14529	0.7
371.20102	1.0
373.16791	0.5
373.21481	4.5
391.17279	0.6
403.16986	0.4
417.24240	0.4
435.19522	0.6
463.26709	0.2
477.27832	4.5
523.24615	0.3
645.57074	0.2
791.39642	0.3
895.45624	1.1
999.50049	0.4
1016.46765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04979	0.5
73.02914	2.6
73.06554	1.2
77.03915	1.1
78.99498	1.2
79.05483	7.0
81.07041	0.2
87.04461	2.5
89.05467	0.3
89.06023	6.0
91.05468	4.2
93.07021	0.3
94.99021	0.2
95.04965	4.1
103.04768	0.4
103.05457	6.6
103.07571	1.6
105.04588	1.6
105.07021	100.0
106.07347	0.8
113.00002	3.6
113.06003	0.4
115.05383	0.3
115.07566	0.3
116.06223	0.2
117.07019	0.8
117.09126	0.8
119.08596	0.9
121.02936	0.2
121.06499	2.0
127.01555	27.6
128.06189	0.4
129.06985	1.5
131.07011	0.6
131.08551	6.9
133.08591	3.8
133.10132	0.7
139.01538	7.8
145.06485	0.4
147.08037	2.1
147.10133	0.7
149.09644	0.6
153.03102	26.7
159.10167	0.4
161.11700	0.5
165.06981	0.3
165.09084	0.2
166.07744	0.4
173.09662	0.5
175.09651	0.3
175.11081	0.2
177.11218	1.3
179.08598	0.4
181.10118	0.8
183.04150	2.7
191.10582	0.4
192.09485	0.2
193.10210	0.3
197.05727	12.1
207.11748	0.3
215.06892	0.2
221.13673	0.3
223.11168	0.8
225.12741	4.2
227.06740	1.1
227.12868	0.3
241.08330	4.2
249.12730	0.6
251.14293	13.3
252.14711	0.3
253.15858	3.3
255.13277	0.2
259.09293	0.4
267.13791	0.4
267.17419	0.2
269.15366	0.7
271.09467	1.4
271.15405	0.4
285.10931	1.2
295.16852	0.5
303.12048	0.4
311.16574	0.5
313.17935	0.6
315.11984	1.1
315.17969	0.2
327.17374	2.6
329.18961	10.8
347.14548	0.6
353.18961	0.8
355.20401	0.3
359.14740	0.4
371.19974	0.7
373.16769	0.3
373.21487	2.5
391.17206	0.5
403.17184	0.3
435.19971	0.4
477.27902	3.2
479.22305	0.2
523.25067	0.2
581.84155	0.2
624.66235	0.2
791.39032	0.3
895.45294	0.8
992.88989	0.2
999.51904	0.3
1016.45355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
77.23010	0.5
81.07062	0.6
91.05540	0.7
95.08581	0.7
105.07083	1.1
107.05003	0.5
109.42108	0.4
119.05033	0.7
121.02948	1.4
140.64549	0.5
147.04491	0.8
158.01378	0.6
201.47189	0.5
250.65669	0.5
1017.53302	100.0
1018.53613	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	1018.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03448	0.3
79.04206	0.2
79.05468	0.3
80.05006	4.0
81.07035	0.4
91.05470	0.4
93.07031	0.4
95.04957	0.1
95.08577	0.2
96.04479	3.6
105.07027	0.3
107.08570	0.1
109.10157	0.1
119.08570	0.2
121.06433	0.1
124.03938	100.0
125.04276	0.4
131.08565	0.2
140.03436	0.2
147.04314	0.2
149.13300	0.1
184.07275	0.3
197.13354	0.1
237.16299	0.1
247.14658	0.1
269.17328	0.1
275.20126	0.2
315.19650	0.2
349.23758	0.1
407.96411	0.1
498.24811	16.3
543.36865	0.2
770.02124	0.1
785.02722	0.1
846.73657	0.1
1018.44403	0.4
1019.46851	0.1
1020.57483	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	1022.55
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	0.8
71.23219	0.2
71.75332	0.2
73.02907	3.6
73.06563	1.9
78.60259	0.3
78.99488	1.5
87.04459	100.0
89.06018	10.3
95.04945	0.5
97.00534	0.3
101.34987	0.3
103.07576	1.9
111.04511	0.3
113.00002	3.0
113.05991	1.1
115.07561	1.2
117.09126	3.0
121.02863	0.6
125.00035	0.3
127.01556	25.8
129.10268	0.3
131.07022	4.4
133.08591	6.5
139.01538	8.5
147.04385	0.4
147.10150	1.3
153.03104	28.3
159.10159	1.0
161.11749	1.1
175.09665	1.3
177.11246	1.5
183.04176	3.2
190.21310	0.3
197.05717	14.0
197.64636	0.3
203.12724	0.4
219.12263	3.5
221.13867	0.3
227.06656	1.3
241.08344	3.8
271.09537	1.7
285.10925	1.8
314.79831	0.3
315.12137	0.8
329.13641	0.7
347.14777	0.4
359.14777	0.8
390.82584	0.3
403.17368	0.7
435.19574	0.4
729.05054	0.3
879.49225	0.4
1005.52032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	0.4
73.02907	0.9
73.06541	1.2
77.03931	0.7
78.76323	0.2
79.05487	4.8
84.74065	0.2
87.04461	100.0
89.06026	6.0
91.05474	8.8
92.18498	0.2
93.07043	0.9
95.04409	0.4
95.04966	3.1
99.59970	0.3
103.05461	5.5
105.04520	1.1
105.07021	49.5
107.04936	1.8
112.20389	0.2
113.06006	0.4
115.05439	0.4
115.07565	0.4
116.06229	0.7
117.07033	1.5
117.09116	1.7
119.04920	0.5
119.08576	3.7
121.05621	0.3
121.06504	5.5
128.06194	1.3
129.07002	2.2
131.07031	3.3
131.08551	5.5
132.05693	0.9
133.08583	4.1
133.10078	0.5
135.07980	0.3
144.83960	0.2
145.06506	0.5
147.08032	23.6
149.09605	3.9
155.06018	0.3
161.11746	0.6
165.06992	0.6
165.09070	0.4
175.09613	1.1
175.11031	0.3
177.11226	1.4
181.10117	0.8
191.10529	0.3
192.09409	0.3
208.08830	0.4
219.12250	4.2
221.13753	0.3
223.11119	0.8
225.12718	11.6
247.00644	0.3
249.12767	1.5
251.14273	1.4
263.14813	0.6
269.15289	1.0
270.93823	0.3
311.16336	0.4
313.17911	0.6
317.88232	0.3
327.17050	0.5
329.18933	0.7
373.21600	4.2
571.66406	0.3
932.94275	0.3
1022.57849	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	1022.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02912	0.9
73.06561	1.6
77.03915	0.7
79.05486	4.0
87.04461	100.0
88.04820	0.3
89.05466	0.3
89.06018	6.0
91.05476	7.0
93.07036	0.8
95.04977	2.5
103.05457	4.9
103.06106	0.3
105.04584	1.0
105.07021	48.7
107.04974	1.4
115.05441	0.8
115.07585	0.3
116.06254	0.4
117.07003	1.3
117.09122	1.5
119.04922	0.7
119.08567	3.4
121.06496	5.6
128.06194	1.3
129.07021	2.0
131.07037	4.5
131.08548	4.9
132.05692	0.8
133.06467	0.2
133.08601	3.9
133.10127	0.6
135.08044	0.4
145.06468	0.9
145.10054	0.2
145.49950	0.2
147.08037	25.2
149.09605	5.0
155.05972	0.3
161.11732	0.6
166.07744	0.3
173.09593	0.6
175.09688	1.8
177.11250	1.5
181.10143	1.1
183.56010	0.2
191.10741	0.4
207.11594	0.4
208.08910	0.2
209.11546	0.3
219.12256	4.3
221.13742	0.3
223.11182	1.3
225.12721	13.6
249.12737	2.6
251.14354	1.7
255.15886	0.3
263.14777	0.7
265.16330	0.2
267.13806	0.4
269.15262	1.0
295.16904	0.4
311.16446	0.5
313.17767	0.7
327.17166	0.7
329.18884	0.5
373.21567	4.2
407.63712	0.2
417.23730	0.3
429.96140	0.2
972.18390	0.3
1005.56287	0.3
1022.61151	6.0
1023.50464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1024.5656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	3.1
73.02913	10.8
73.03332	0.8
73.06556	3.5
73.79095	0.6
78.99500	2.3
87.04459	36.4
89.06023	100.0
91.07600	1.0
95.04961	0.8
103.07570	6.5
107.07070	2.4
111.01979	0.7
113.00010	7.9
113.05982	4.7
115.07561	4.8
117.09126	5.2
127.01556	63.7
131.07047	8.8
133.08592	62.4
135.10178	1.0
139.01537	25.2
139.03838	0.9
147.04459	1.0
147.10144	5.7
153.03101	76.6
157.08597	0.8
158.29639	0.7
159.10126	3.8
161.11717	1.8
163.03889	0.9
175.09674	5.6
177.11208	18.6
183.04170	9.6
197.05725	42.1
221.13824	2.9
227.06743	3.7
241.08345	12.2
259.09369	0.9
271.09338	5.6
285.10886	3.6
287.01849	1.1
303.12054	1.1
309.18964	1.1
315.11890	3.6
329.13635	1.6
347.14532	1.8
359.14621	2.0
403.16992	0.7
448.91721	0.7
453.04446	1.9
523.24817	0.7
573.10034	2.1
799.25751	0.8
821.15540	1.1
878.12048	0.7
1007.53497	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	1024.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	0.6
73.02913	1.8
73.06552	2.8
77.03917	1.6
79.05488	8.2
87.04464	15.4
89.06026	63.7
91.05475	16.2
91.07642	0.2
93.07057	1.9
95.04961	6.1
102.04650	0.3
103.05461	10.2
105.04561	2.6
105.07022	100.0
106.07351	0.6
107.04950	3.1
107.07059	1.7
109.95412	0.2
113.05984	1.2
115.05420	1.3
115.07585	0.5
116.06229	1.3
117.07009	2.7
117.09116	3.8
119.04938	1.2
119.08573	7.1
121.06496	12.8
128.06207	2.8
129.06079	0.4
129.06996	5.3
130.08632	1.1
131.04951	0.5
131.05989	0.3
131.07031	5.3
131.08563	9.8
132.05708	1.9
133.06583	1.2
133.08594	46.7
133.10013	1.6
134.08957	0.4
135.08051	0.8
135.10196	0.3
138.49223	0.2
143.08559	0.3
145.06477	1.6
147.08038	54.9
148.08389	0.4
149.09601	11.1
155.06055	0.6
156.83701	0.3
157.10100	0.3
159.10197	0.4
161.11690	0.8
163.07497	0.2
163.11226	0.3
165.06970	0.5
165.09132	0.8
166.07805	0.7
167.08600	0.3
171.08133	0.4
173.09584	1.2
175.09673	4.2
175.11111	0.6
177.11206	17.3
178.07860	0.5
179.08578	0.6
179.12766	0.3
181.10101	2.4
191.10582	1.3
192.09268	0.4
193.10284	0.5
193.12263	0.6
194.07336	0.3
206.10912	0.3
207.08058	0.3
207.11713	0.6
208.08755	0.8
209.09645	0.3
209.13245	0.6
211.13071	0.2
219.12244	1.3
221.09576	0.4
221.13811	3.4
222.10413	0.3
223.11121	3.2
223.15355	0.4
225.12723	30.1
226.13153	0.6
227.12857	0.3
235.13184	0.3
237.12778	0.4
239.14810	0.6
249.12720	5.3
251.14301	4.1
253.14105	0.3
255.15863	0.4
262.27090	0.2
265.16394	0.3
267.13766	1.3
267.18076	0.5
269.15350	2.3
270.22906	0.2
271.15335	0.4
277.15912	0.5
283.17468	1.2
295.16858	0.9
299.18375	0.5
309.18887	0.6
311.16260	1.3
313.17892	1.5
327.17249	1.7
327.20569	0.2
329.18964	1.7
347.08853	0.3
353.21683	0.6
355.20483	0.3
373.21613	9.8
388.64255	0.2
397.24063	0.3
401.23099	0.3
406.14374	0.2
415.22858	0.4
417.23880	0.4
445.25815	0.3
720.46320	0.3
743.42999	0.3
907.24847	0.3
961.80676	0.2
1007.58844	1.0
1024.60120	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	1024.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05003	0.4
73.02924	2.2
73.06550	2.8
73.56586	0.2
77.03906	1.4
79.05038	0.5
79.05489	8.2
87.03905	0.3
87.04465	16.5
89.06028	65.7
91.05474	14.5
91.06053	0.6
91.07567	0.6
91.54951	0.2
93.07050	1.8
95.04964	5.7
103.04764	0.3
103.05461	8.7
105.04560	2.2
105.07025	100.0
106.07396	0.7
107.04949	2.8
107.07059	1.2
109.02809	0.2
113.05998	1.0
115.05437	1.1
115.07555	0.6
116.06232	0.9
117.07011	2.5
117.09130	2.7
119.04942	1.3
119.08580	7.2
121.06499	13.3
128.06215	2.2
129.06996	4.9
130.08629	0.9
131.04900	0.5
131.07066	5.2
131.08557	12.0
132.05727	1.5
133.06558	1.2
133.08598	46.6
133.10020	1.7
135.08055	0.8
135.10172	0.5
143.08543	0.4
145.06485	1.6
145.10121	0.4
147.08041	54.9
148.08376	0.4
149.09607	10.7
150.09822	0.3
155.06029	0.7
155.08427	0.3
157.08548	0.4
157.10158	0.3
159.10133	0.9
161.11699	1.1
163.07570	0.3
163.11182	0.6
165.07019	0.5
165.09077	0.5
166.07788	1.0
169.10225	0.2
173.09641	1.2
175.09679	4.4
175.11171	0.6
177.11212	15.1
178.07747	0.5
179.08521	0.8
181.10129	2.6
191.10608	0.9
192.09283	0.4
193.12196	0.6
207.07990	0.3
207.11731	0.4
208.08841	0.8
209.09750	0.3
209.11562	0.3
209.13338	0.4
219.12303	1.2
221.09485	0.3
221.13841	2.9
222.10422	0.4
223.11182	2.8
223.15402	0.5
225.12729	29.3
237.12785	0.6
239.14836	0.6
249.12766	4.6
251.14310	4.4
255.15874	0.5
263.14886	0.3
265.16364	0.5
267.13748	1.0
267.17856	0.3
269.15292	2.3
283.17484	0.8
295.16843	0.7
309.18900	0.5
311.16309	1.4
313.17859	1.3
315.17770	0.3
315.78131	0.2
327.17352	1.1
329.19125	1.6
341.19519	0.3
342.02673	0.2
348.73523	0.2
353.21439	0.4
373.21625	9.5
374.21912	0.3
387.73099	0.2
408.41794	0.3
415.22635	0.4
417.24127	0.6
435.01611	0.2
445.25534	0.4
489.28375	0.3
748.54962	0.3
949.53485	0.3
1007.57135	0.6
1024.62244	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.1
53.03950	10.3
69.03401	1.2
71.42725	1.3
75.00585	1.2
77.03932	14.3
78.16399	1.1
81.73061	1.1
86.06055	2.7
87.04478	2.6
91.55711	1.2
95.04966	54.2
96.05293	1.3
96.23790	1.0
102.04678	4.3
103.05467	100.0
104.05789	3.8
105.04511	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.1
51.02371	3.0
53.03709	0.5
53.03947	10.7
58.06583	1.5
60.08162	14.2
60.95847	0.9
63.26879	0.5
69.03444	1.2
69.98366	1.7
77.03922	14.0
81.03409	0.8
87.04467	1.1
95.04958	54.0
96.05309	0.7
98.22746	0.7
99.29288	0.6
102.04678	4.2
103.05458	100.0
104.05807	1.7
104.10732	29.5
105.04510	20.2
106.04855	0.7
106.07205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.8
50.13230	0.9
51.02370	2.2
51.03104	0.6
53.03947	9.5
54.09155	0.7
54.58649	0.7
58.06592	1.2
60.08141	0.9
60.95842	1.1
62.92989	5.9
65.64514	0.8
71.42975	0.8
77.03927	9.9
81.03420	0.9
86.06049	2.7
87.04446	1.6
95.04961	54.1
102.04691	3.2
103.05460	100.0
103.13161	0.9
104.05811	2.3
104.10757	2.4
105.03806	1.4
105.04508	23.5
110.70012	0.8
112.12368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.1
53.03950	10.3
69.03401	1.2
71.42725	1.3
75.00585	1.2
77.03932	14.3
78.16399	1.1
81.73061	1.1
86.06055	2.7
87.04478	2.6
91.55711	1.2
95.04966	54.2
96.05293	1.3
96.23790	1.0
102.04678	4.3
103.05467	100.0
104.05789	3.8
105.04511	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02901	0.2
77.03898	0.2
78.03437	3.2
78.04688	0.3
79.05478	1.3
80.05007	2.7
81.03394	1.4
81.07063	0.6
83.04968	1.5
84.04484	0.1
85.02889	1.4
86.57331	0.1
87.04454	0.4
89.20522	0.1
89.28680	0.1
91.03949	0.3
91.05463	8.1
93.07024	1.0
95.04935	0.7
95.08592	0.6
96.04479	3.3
97.02874	0.3
98.23459	0.3
99.04446	0.6
103.03934	0.2
103.05424	0.9
104.06223	0.7
105.04513	0.2
105.07016	2.5
106.02900	7.9
107.08576	11.7
108.58292	0.1
109.06508	0.6
109.10140	0.2
111.04431	1.4
115.05431	0.5
117.07000	1.9
119.08561	100.0
120.08868	0.9
121.06503	0.2
121.10130	0.7
123.11713	0.2
124.03932	49.1
125.04310	0.2
127.03925	0.9
129.05447	1.4
129.06938	0.3
130.04976	0.2
131.08548	0.7
133.06483	2.0
133.07446	0.2
133.10109	1.1
134.07202	0.2
135.08031	14.3
136.08389	0.2
140.03355	0.1
141.06969	0.1
142.07755	0.4
143.08560	0.6
145.10101	1.7
147.06503	1.4
147.07793	0.4
147.11655	0.4
149.04285	0.1
149.09618	0.2
151.07549	0.2
155.08524	0.5
156.09355	0.4
157.10115	1.1
158.10927	0.2
159.11652	0.8
160.12410	0.1
161.09586	0.3
161.13225	0.2
165.06990	0.2
167.08522	0.2
168.09343	0.1
169.10114	0.5
170.10892	0.3
171.11661	1.1
172.12425	0.4
173.09628	0.5
173.13214	1.0
175.11090	0.2
181.10124	0.3
182.10919	0.3
183.11670	1.2
185.13271	0.6
187.11171	0.3
187.14755	1.5
188.11987	0.2
193.10139	0.4
195.11693	0.4
196.12460	0.2
197.09589	0.2
197.13181	1.0
198.14049	0.6
199.11168	0.2
201.12685	0.3
203.14322	0.9
205.15842	0.2
206.10950	0.2
207.11691	0.4
208.12479	0.2
209.13255	0.4
211.11234	0.3
211.14795	0.5
215.10770	0.2
215.14296	0.6
216.15135	0.2
220.12465	0.2
221.13251	0.2
223.14828	0.1
225.16345	0.4
229.06129	0.5
234.13925	0.2
235.14693	0.4
239.10583	0.2
249.16426	0.6
251.14224	0.2
251.17857	0.2
252.71515	0.1
253.15845	0.3
262.13342	0.2
267.17487	0.5
271.16956	0.3
277.15863	0.4
281.13803	2.3
285.18484	0.4
294.89117	0.1
295.16876	1.7
313.17926	2.8
347.22745	0.2
355.19193	0.2
415.21088	3.4
418.20090	0.5
436.21118	0.6
478.22314	0.5
491.17017	0.2
496.23175	0.7
541.23022	0.2
559.24182	1.8
601.24902	0.6
619.26367	20.1
620.26782	0.5
895.42078	0.7
1033.44678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02778	2.6
75.16537	0.3
79.05349	3.1
79.05838	0.6
81.03272	1.4
81.06915	3.9
81.07437	0.7
83.04846	0.4
83.08482	0.6
85.02750	3.6
85.03297	0.5
91.03803	2.6
91.04431	0.7
91.05325	2.2
93.06884	3.8
93.07517	0.9
95.04803	1.3
95.08440	3.0
97.02729	3.7
97.03409	0.5
99.04326	0.7
101.02207	1.6
103.03770	0.4
105.06869	1.4
107.04827	0.7
107.08406	1.2
109.02776	0.7
109.09999	1.2
111.69084	0.3
117.06895	0.7
119.04781	0.4
119.08412	1.0
121.09971	1.7
123.11559	0.5
127.03741	1.5
129.06848	0.4
131.04807	0.3
131.08453	0.7
133.06264	0.3
133.10007	0.8
135.11523	0.9
145.06316	0.5
145.09955	0.6
147.04279	0.8
147.11502	0.4
151.03783	0.5
173.13055	0.8
177.05171	0.4
185.04111	0.5
203.05153	0.4
243.08327	2.2
248.93877	0.4
259.07840	0.4
261.22006	0.4
271.13278	0.3
275.12561	0.7
287.12790	0.3
315.12201	0.4
335.25552	1.3
343.11636	0.5
347.14587	0.4
357.13223	1.7
375.14120	3.6
383.11026	2.2
401.11932	1.2
419.13135	1.7
431.16861	0.4
457.14297	0.4
475.15530	1.2
519.29218	8.6
520.29120	0.5
537.30255	0.7
539.18683	1.1
547.21277	0.5
575.21033	1.0
593.22064	1.8
637.19806	0.8
664.93121	0.4
691.38733	0.4
717.35822	1.1
735.37103	0.5
753.37939	0.7
801.22778	0.4
848.96832	0.4
853.43054	0.8
871.44342	6.5
897.42615	2.6
915.43341	52.8
916.43945	2.6
973.49872	0.6
991.49817	8.4
1017.47742	1.7
1035.49097	100.0
1036.49207	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	1038.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02895	0.5
73.06548	0.8
77.03912	0.9
79.05484	5.8
81.19240	0.1
87.04459	100.0
88.04803	0.2
89.06021	4.3
91.05467	2.6
93.07029	0.2
95.04960	3.9
103.05460	5.2
105.04574	1.6
105.07017	80.5
106.07357	0.5
107.04978	0.3
113.06013	0.3
115.05416	0.3
115.07566	0.1
116.06202	0.2
116.62772	0.1
117.07021	0.5
117.09115	1.3
119.08577	0.4
121.06499	1.6
128.06198	0.3
129.06985	0.7
131.05986	0.2
131.07034	3.8
131.08566	4.6
133.06488	0.2
133.08594	2.9
133.10143	0.4
135.08029	0.2
145.06485	0.3
147.08047	2.0
149.08084	0.2
149.09621	0.8
157.10133	0.2
159.10130	0.2
161.11722	0.3
165.07037	0.3
165.09108	0.1
166.07764	0.2
167.08589	0.2
173.09645	0.6
175.09676	1.4
175.11104	0.2
177.11171	1.0
179.08557	0.3
181.10130	0.4
191.10661	0.2
193.10736	0.2
203.08487	0.1
203.69983	0.1
208.08858	0.1
209.11624	0.2
209.13399	0.2
217.45110	0.1
219.12247	5.1
221.09668	0.1
221.13684	0.2
223.11095	0.7
225.12718	3.9
227.12823	0.2
235.14911	0.3
237.12820	0.2
239.14626	0.1
249.12738	0.6
251.14296	10.3
253.15912	2.3
263.14810	0.8
267.13858	0.4
269.15314	0.9
271.15512	0.2
295.17050	0.6
311.16388	0.4
313.18134	0.5
327.17322	2.2
327.20572	0.2
329.18958	8.3
353.19077	0.4
355.20508	0.4
357.20459	0.1
371.19876	0.7
373.21576	2.8
401.23169	0.2
433.25275	0.1
477.27835	3.4
813.45361	0.2
833.56726	0.2
1038.61414	5.3
1039.61487	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	1038.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02905	0.4
73.06554	0.8
77.03923	0.6
79.05483	3.3
87.04457	100.0
89.06020	4.3
91.05450	1.6
92.75677	0.2
95.04965	2.4
98.22653	0.4
103.05456	3.3
105.04514	0.9
105.07016	59.9
106.07377	0.7
113.06004	0.3
115.07580	0.3
117.06985	0.4
117.09107	1.2
121.06493	1.5
129.06989	0.8
131.07022	5.0
131.08539	3.9
133.08578	3.5
133.10135	0.3
142.19603	0.2
144.45482	0.2
145.06491	0.5
147.08034	1.6
149.09605	0.5
161.11702	0.5
165.09109	0.5
173.09663	0.3
175.09656	1.4
177.11171	1.3
181.10110	0.3
193.10573	0.3
209.13292	0.3
219.12241	5.5
221.13950	0.4
223.11076	0.6
223.67520	0.2
225.12737	4.2
227.12582	0.3
235.14876	0.3
249.12706	0.3
251.14296	9.4
253.15851	2.4
263.14853	0.9
267.13724	0.4
269.15237	0.9
271.15308	0.3
295.16809	0.6
307.17371	0.2
309.18774	0.2
311.16309	0.4
313.17868	0.9
315.17841	0.3
327.17331	2.6
329.18958	8.9
330.19107	0.3
334.64523	0.2
353.18643	0.3
355.20087	0.6
357.20572	0.4
371.20050	0.5
373.17654	0.3
373.21606	3.7
401.22736	0.3
434.37378	0.2
477.27863	3.5
521.30170	0.4
753.55084	0.2
1038.61487	5.8
1039.58167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.6354
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02917	2.5
73.06210	0.4
73.06549	4.4
77.03906	1.5
79.05483	8.6
83.67903	0.4
87.03963	0.6
87.04457	7.1
89.06022	15.5
91.05470	15.5
93.07014	1.4
95.04958	6.1
103.05464	8.5
103.07570	61.1
105.04585	2.2
105.07018	100.0
106.07361	0.5
107.04954	2.3
113.06034	1.1
115.05459	0.9
115.07576	0.7
116.06211	0.6
117.07027	2.4
117.09135	6.2
119.04910	1.9
119.08565	6.6
121.05624	0.6
121.06495	11.8
127.05473	0.4
128.06180	2.3
129.06982	4.5
129.25534	0.4
131.05003	0.6
131.07098	1.9
131.08553	11.4
132.05742	1.4
133.06497	0.8
133.08588	11.0
133.10146	1.5
135.08070	0.8
145.06526	1.7
147.08043	56.4
147.10106	26.9
148.91302	0.4
149.09602	12.1
155.06090	1.0
157.10129	0.6
159.08076	0.6
159.10147	0.6
161.11696	2.0
165.09184	0.5
166.07797	0.7
173.09656	1.0
175.09688	1.8
175.11241	1.1
177.11192	4.0
177.41905	0.4
178.07845	0.4
181.10117	2.3
191.10733	0.9
191.12874	1.9
193.10300	0.4
193.12236	0.5
207.11803	0.7
208.08896	0.6
209.13370	0.6
221.13840	0.8
223.11133	2.7
225.12720	31.3
228.82713	0.4
235.15245	0.7
237.12900	0.6
249.12700	5.4
251.14348	4.2
253.16481	0.7
267.13989	1.3
269.15256	2.0
271.10764	0.4
275.23468	0.4
295.17084	0.7
311.16711	0.9
313.18155	1.4
327.17767	1.6
329.19153	1.0
334.23315	0.4
373.21548	7.6
399.23877	0.4
417.24567	0.4
445.26331	0.5
900.47339	0.4
918.45508	0.7
1038.65088	13.4
1045.38281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.636
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02916	3.1
73.06546	3.8
77.03904	1.6
79.05045	0.4
79.05482	8.0
87.04456	6.3
88.64384	0.3
89.06022	15.7
91.05470	14.6
91.06056	0.5
93.07029	1.5
95.04959	5.5
102.04696	0.4
103.05466	8.4
103.07569	60.9
105.04546	2.3
105.07018	100.0
106.07340	0.7
107.04956	2.9
107.07056	0.5
113.05978	0.9
113.47914	0.4
115.05434	0.8
115.07559	0.5
116.06221	1.2
117.06986	2.6
117.08324	0.5
117.09121	5.3
119.04923	1.5
119.08566	6.0
121.06498	13.6
128.06226	2.0
129.07001	4.6
131.07094	1.9
131.08556	11.6
131.09575	0.5
132.05721	1.7
133.06506	0.6
133.08595	10.9
133.10074	1.7
135.08092	0.6
145.06468	1.5
147.08040	53.7
147.10101	24.8
149.09610	9.7
149.10812	0.5
155.06029	0.5
161.11702	1.7
163.11180	0.5
165.07047	0.8
165.09135	0.5
166.07756	0.6
167.08496	0.4
167.62318	0.3
171.08035	0.5
173.09659	1.2
175.09671	1.7
175.11020	0.5
177.11226	4.4
178.07713	0.4
179.08627	0.7
181.10051	2.2
191.10831	0.6
191.12833	2.0
193.12183	0.8
207.11739	0.5
208.08879	0.6
209.11589	0.5
209.13499	0.5
221.09596	0.5
221.13708	0.8
222.10593	0.5
223.11160	2.4
225.12714	30.4
227.12794	0.5
235.15285	0.5
249.12770	3.9
251.14307	5.1
255.16096	0.3
267.13925	1.1
269.15521	1.0
295.17255	0.4
295.59680	0.4
311.16620	0.8
313.18173	0.9
315.18063	0.5
327.17410	0.6
329.19147	1.1
373.21591	8.7
373.26114	0.7
410.85001	0.3
415.22519	0.4
417.24637	0.6
445.25983	0.5
464.98462	0.4
918.45929	0.8
1021.61768	0.6
1038.64661	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	1039.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
72.59761	0.3
73.02911	3.3
77.03902	0.4
80.55959	0.3
81.03409	1.3
83.04926	1.1
85.02892	4.5
87.04408	0.2
91.05425	1.1
95.04961	3.7
97.02350	0.3
97.02872	3.5
98.23639	0.3
99.04391	0.4
103.05448	0.4
105.03382	19.4
105.04404	1.7
106.03660	0.3
111.04432	1.2
115.03906	0.6
119.04903	0.6
127.03880	0.4
129.05409	0.7
131.04866	0.3
133.04906	0.3
146.64075	0.3
147.04366	0.8
147.06468	0.3
151.07518	1.6
169.04785	0.3
171.04346	1.7
177.05461	0.4
179.06958	0.4
187.03879	0.7
199.03877	2.9
203.03334	3.2
209.02303	0.3
211.03835	1.1
217.04895	0.4
225.07382	0.3
225.15593	0.3
227.03351	21.4
228.03734	0.3
231.02928	0.4
239.03351	5.7
243.02892	0.4
245.04488	1.4
255.02841	21.8
256.03174	0.4
257.04404	4.8
259.02298	0.6
259.09674	0.4
270.05084	0.3
273.03897	88.8
274.04321	1.3
283.02310	7.2
284.02603	0.3
285.03934	3.6
287.01773	3.2
287.06793	0.5
289.03232	0.4
311.07141	0.5
328.07474	0.4
329.08032	25.0
330.08310	0.5
341.08136	0.3
343.06268	0.4
345.07401	0.4
357.07520	80.5
358.07907	2.1
361.07104	0.6
369.07559	0.4
373.07043	4.5
375.08743	1.9
385.07047	9.4
385.12082	0.4
386.07660	0.5
387.08566	28.5
388.08932	0.9
389.06491	35.6
390.06989	0.6
403.08109	2.0
405.09698	0.7
413.06558	1.2
431.07568	100.0
432.07910	1.8
449.08621	9.1
480.51501	0.3
551.11639	0.5
575.11664	0.9
577.13159	0.4
593.12817	92.3
594.13086	2.6
637.46637	0.3
689.15936	0.3
725.17987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02909	2.9
77.03925	0.4
81.03375	1.3
83.04939	0.9
85.02420	0.3
85.02899	4.0
91.05472	1.8
95.04971	3.5
97.02903	1.9
105.03389	16.0
105.04482	1.2
109.02825	0.3
111.04388	0.9
115.03853	1.0
119.04915	0.9
127.03866	0.5
129.05400	0.3
131.04881	0.5
133.04930	0.6
137.05905	0.4
147.04329	0.8
147.06532	0.5
151.03917	0.5
151.07501	1.2
160.38937	0.3
171.04419	2.1
177.05414	0.7
187.03801	0.7
199.03862	3.3
203.03377	4.4
209.02319	0.5
211.03883	1.0
217.04829	0.5
225.07545	0.3
227.03371	19.6
229.05002	0.4
239.03387	5.7
245.04504	0.7
255.02866	24.9
256.03165	0.4
257.04446	3.6
259.02432	0.4
259.09729	0.4
270.05237	0.5
273.03912	74.3
274.04254	1.4
283.02356	5.9
285.03912	4.1
287.01883	2.2
289.03464	0.4
301.08557	0.4
311.07254	0.4
329.08063	20.6
357.07547	57.5
358.07880	1.6
361.06461	0.3
373.06998	3.7
375.08636	1.1
385.07022	7.2
387.08600	23.4
388.08978	0.7
389.06512	22.7
390.06839	0.4
403.08145	1.8
405.09344	0.4
413.06503	0.6
423.10852	2.0
431.07596	100.0
432.08118	2.0
439.10095	0.6
449.08670	7.9
491.09506	0.5
551.11774	0.5
551.55072	0.3
557.10437	0.7
575.11914	3.1
593.12860	62.3
594.13501	1.5
646.76025	0.3
725.17877	0.4
761.19385	0.4
800.40967	0.4
868.66571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29427	0.1
54.33561	0.1
57.91113	0.1
58.06300	0.2
58.06596	4.6
59.07380	1.6
60.08160	47.7
61.08490	0.4
62.46893	0.1
69.03432	0.2
70.69748	0.2
78.56275	0.1
82.41222	0.1
85.01553	0.1
86.06065	0.2
86.09695	0.2
87.04487	0.5
92.11238	0.1
96.51054	0.1
104.10738	100.0
105.11047	1.4
110.61694	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	5.2
59.07371	1.8
60.08157	47.3
61.08484	0.4
69.82232	0.5
78.62752	0.2
82.22742	0.1
95.84513	0.1
102.46091	0.2
104.10732	100.0
105.11060	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	1040.6302
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02912	0.9
73.06545	1.5
73.24474	0.1
77.03919	1.1
79.05486	7.4
81.03433	0.1
87.04461	9.1
89.06024	35.8
91.05469	3.3
91.07598	0.2
93.07085	0.2
95.04963	4.3
103.04764	0.2
103.05461	6.7
105.04593	1.8
105.07021	100.0
106.07357	0.7
107.05006	0.2
107.07072	0.8
113.05994	0.5
115.05435	0.3
115.07539	0.4
116.06220	0.4
117.07004	0.7
117.09109	1.9
119.04931	0.3
119.08565	0.7
121.06498	2.5
123.75079	0.1
128.06219	0.3
129.06989	1.3
130.08603	0.7
131.07054	3.0
131.08557	6.9
133.08595	29.0
133.10194	0.7
135.10139	0.4
145.06461	0.3
145.10110	0.1
147.06892	0.1
147.08035	2.3
149.09592	1.0
157.08723	0.2
157.10109	0.2
159.10165	0.3
161.11722	0.6
165.06990	0.4
165.09137	0.5
166.07751	0.3
167.08533	0.1
168.09239	0.1
173.09624	0.6
175.09668	2.6
175.11055	0.2
177.11206	10.7
178.07854	0.2
179.08569	0.4
179.12857	0.3
181.10118	0.5
183.10080	0.3
189.08932	0.1
191.08429	0.1
191.10629	0.3
192.09282	0.2
193.10329	0.2
193.12314	0.2
201.11119	0.2
203.12715	0.2
207.08171	0.2
207.11690	0.2
209.11655	0.3
209.13307	0.4
219.12303	0.8
221.13820	1.7
223.11159	0.9
223.15375	0.2
225.12723	5.7
227.12782	0.3
235.14821	0.5
237.12968	0.2
239.14833	0.4
249.12697	0.8
251.14288	12.3
253.11768	0.1
253.15938	3.4
255.15970	0.1
263.14572	0.1
265.16428	0.5
267.13785	0.9
267.17673	0.3
269.15347	1.6
271.15326	0.3
277.15881	0.1
283.17542	0.6
295.16995	0.7
299.18527	0.2
307.17316	0.2
309.18985	0.5
311.16327	0.8
313.18021	1.1
315.17975	0.3
327.17331	3.4
329.18967	14.2
339.19583	0.1
353.18784	0.5
355.20245	0.5
357.20486	0.4
371.19757	0.8
373.16910	0.3
373.21606	4.5
375.21591	0.3
397.24207	0.2
401.23309	0.1
415.22565	0.3
417.24115	0.3
419.24045	0.3
431.23618	0.2
433.25284	0.3
441.27063	0.2
445.25845	0.2
463.26654	0.2
477.27853	5.4
521.29810	0.2
571.05426	0.1
815.46875	0.5
919.52606	0.4
1023.59015	0.3
1040.63782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.6298
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02901	0.9
73.06569	1.3
77.03911	1.3
79.05042	0.4
79.05482	6.0
87.04460	8.8
89.06020	42.9
90.69599	0.2
91.05473	3.6
91.07583	0.2
93.07038	0.3
95.04967	4.6
103.05460	6.8
105.04571	1.8
105.07017	100.0
106.07367	0.6
107.07043	0.9
113.05989	0.6
115.05413	0.2
115.07580	0.6
117.07008	0.5
117.09131	2.1
119.08534	0.6
121.06496	2.6
128.06160	0.3
129.06976	1.0
131.07060	3.3
131.08545	7.2
133.08591	31.4
135.10141	0.4
145.06438	0.4
147.08054	2.3
149.09607	0.9
157.10172	0.4
159.10115	0.3
160.59019	0.2
161.11703	0.8
165.07086	0.3
165.09087	0.4
166.07745	0.5
171.94864	0.2
173.09593	0.7
175.09662	2.7
175.11099	0.4
177.11197	12.0
179.08646	0.3
179.12697	0.4
181.10144	0.5
191.10591	0.4
193.12254	0.2
207.11618	0.5
209.11578	0.2
209.13380	0.3
219.12248	0.8
221.13818	2.3
223.11154	1.2
223.15440	0.3
225.12717	6.5
225.14795	0.4
227.12816	0.5
235.14842	0.4
237.12895	0.4
239.14677	0.3
248.53987	0.2
249.12621	0.8
251.14291	12.8
252.14349	0.3
253.13773	0.2
253.15962	4.0
255.15843	0.3
265.16467	0.8
267.13751	0.6
267.17691	0.4
269.15320	1.5
271.15308	0.5
277.15891	0.2
283.17474	0.7
293.15161	0.2
295.16882	0.9
309.19003	0.7
311.16406	0.7
311.20215	0.3
313.18021	1.3
327.17206	3.1
329.18948	16.5
330.19452	0.3
353.18658	0.5
355.20264	0.8
357.20407	0.4
371.19901	0.8
373.21558	5.0
397.24289	0.3
401.23169	0.3
415.22565	0.3
417.23868	0.3
419.24149	0.4
433.25244	0.3
459.24918	0.2
477.27841	5.8
507.28751	0.3
815.47882	0.4
919.51526	0.4
1023.58337	0.5
1040.64563	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	1041.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	20.8
79.51178	1.4
81.03388	1.8
81.07050	19.7
83.08625	1.4
85.02911	1.4
85.98038	1.4
87.04443	2.1
91.05463	18.6
93.07035	16.3
95.04952	5.5
95.08590	13.3
103.03918	3.8
103.05486	2.4
105.03375	2.8
105.04500	3.1
105.07014	15.0
107.01315	2.2
107.08569	8.1
108.93216	1.4
109.10166	3.6
115.05460	3.0
117.07034	1.9
119.04906	9.3
119.08587	3.1
121.02853	40.7
121.10142	3.9
129.07088	1.7
131.04901	4.8
131.08540	3.3
133.02885	2.2
133.10062	2.4
135.04382	2.6
135.11688	3.2
137.02332	2.7
141.01865	1.5
145.02808	11.4
146.52692	1.4
147.04404	4.9
147.08006	1.8
149.02301	8.6
151.03883	22.9
159.04413	5.4
163.03893	11.8
165.01837	2.3
167.03366	10.7
167.08514	1.4
173.06007	2.0
175.03824	2.5
177.05463	6.1
185.05957	2.1
187.03889	3.0
189.05502	2.5
191.03349	4.6
195.02859	3.6
197.06027	2.6
199.03830	2.1
203.03377	3.1
211.02338	2.6
213.05377	2.6
215.07091	2.1
223.07573	2.1
227.07016	1.9
239.06949	4.5
241.04915	1.8
251.07007	19.2
252.07732	3.3
253.04921	3.4
253.08627	2.3
254.05804	1.6
255.06480	21.1
257.04358	3.2
263.07120	2.3
265.05087	1.8
265.08539	7.7
267.06488	72.6
268.07077	2.7
269.08072	2.9
271.05954	2.0
273.03940	6.5
275.07211	1.8
276.07794	8.2
277.08551	58.8
278.09268	4.7
279.06470	7.0
279.10056	4.4
280.07330	1.6
281.05057	1.6
281.07910	7.4
283.05997	7.2
285.03876	3.1
289.08511	13.4
290.09430	2.3
291.06509	5.9
291.10178	5.3
292.07208	3.1
293.08115	16.4
295.06000	17.0
295.09219	2.3
297.03912	7.4
297.07541	3.5
297.10971	1.6
299.05423	4.9
301.03387	2.5
303.06570	3.4
303.10046	3.3
305.08054	15.8
305.11319	2.4
307.05914	4.3
307.09647	4.9
309.04007	1.7
309.07480	3.4
311.05423	19.5
311.08771	1.7
313.07080	1.7
317.08081	19.4
318.08722	2.3
319.06009	3.0
319.09714	2.2
320.06711	4.7
321.07535	14.6
323.05380	2.3
323.09088	3.0
325.06860	2.5
327.10223	2.7
331.09543	2.6
333.07510	4.7
335.05164	2.1
335.09052	3.9
335.25739	28.4
337.07025	3.3
349.07031	7.8
361.07080	11.8
361.17950	21.4
369.14749	3.3
377.17511	5.1
387.15833	28.7
389.12582	2.5
389.17413	36.2
397.14246	3.4
403.15323	7.6
405.17007	21.9
413.13770	4.7
415.15366	8.6
419.18420	6.1
421.16199	1.9
431.14835	22.9
433.16397	54.3
434.16544	1.7
437.19214	1.6
441.13205	5.4
445.15430	1.4
447.17749	1.8
449.15955	7.7
451.17740	8.6
459.14297	4.5
463.17294	4.3
465.19092	5.3
469.18829	2.9
477.15369	29.0
481.18826	1.7
489.19043	15.9
495.16391	53.8
507.20166	25.1
509.17908	13.2
525.21399	10.0
533.17694	4.7
551.18915	10.1
569.19916	5.7
586.11609	1.4
587.21155	20.8
601.22662	20.7
723.42218	2.1
739.40894	2.0
767.41278	16.6
785.42432	29.7
793.37067	2.1
811.39581	6.0
829.41724	9.8
843.43597	2.4
847.42340	28.7
861.44025	100.0
862.43677	2.7
879.43555	2.2
991.45349	5.7
1041.54163	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	1041.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	20.8
79.51178	1.4
81.03388	1.8
81.07050	19.7
83.08625	1.4
85.02911	1.4
85.98038	1.4
87.04443	2.1
91.05463	18.6
93.07035	16.3
95.04952	5.5
95.08590	13.3
103.03918	3.8
103.05486	2.4
105.03375	2.8
105.04500	3.1
105.07014	15.0
107.01315	2.2
107.08569	8.1
108.93216	1.4
109.10166	3.6
115.05460	3.0
117.07034	1.9
119.04906	9.3
119.08587	3.1
121.02853	40.7
121.10142	3.9
129.07088	1.7
131.04901	4.8
131.08540	3.3
133.02885	2.2
133.10062	2.4
135.04382	2.6
135.11688	3.2
137.02332	2.7
141.01865	1.5
145.02808	11.4
146.52692	1.4
147.04404	4.9
147.08006	1.8
149.02301	8.6
151.03883	22.9
159.04413	5.4
163.03893	11.8
165.01837	2.3
167.03366	10.7
167.08514	1.4
173.06007	2.0
175.03824	2.5
177.05463	6.1
185.05957	2.1
187.03889	3.0
189.05502	2.5
191.03349	4.6
195.02859	3.6
197.06027	2.6
199.03830	2.1
203.03377	3.1
211.02338	2.6
213.05377	2.6
215.07091	2.1
223.07573	2.1
227.07016	1.9
239.06949	4.5
241.04915	1.8
251.07007	19.2
252.07732	3.3
253.04921	3.4
253.08627	2.3
254.05804	1.6
255.06480	21.1
257.04358	3.2
263.07120	2.3
265.05087	1.8
265.08539	7.7
267.06488	72.6
268.07077	2.7
269.08072	2.9
271.05954	2.0
273.03940	6.5
275.07211	1.8
276.07794	8.2
277.08551	58.8
278.09268	4.7
279.06470	7.0
279.10056	4.4
280.07330	1.6
281.05057	1.6
281.07910	7.4
283.05997	7.2
285.03876	3.1
289.08511	13.4
290.09430	2.3
291.06509	5.9
291.10178	5.3
292.07208	3.1
293.08115	16.4
295.06000	17.0
295.09219	2.3
297.03912	7.4
297.07541	3.5
297.10971	1.6
299.05423	4.9
301.03387	2.5
303.06570	3.4
303.10046	3.3
305.08054	15.8
305.11319	2.4
307.05914	4.3
307.09647	4.9
309.04007	1.7
309.07480	3.4
311.05423	19.5
311.08771	1.7
313.07080	1.7
317.08081	19.4
318.08722	2.3
319.06009	3.0
319.09714	2.2
320.06711	4.7
321.07535	14.6
323.05380	2.3
323.09088	3.0
325.06860	2.5
327.10223	2.7
331.09543	2.6
333.07510	4.7
335.05164	2.1
335.09052	3.9
335.25739	28.4
337.07025	3.3
349.07031	7.8
361.07080	11.8
361.17950	21.4
369.14749	3.3
377.17511	5.1
387.15833	28.7
389.12582	2.5
389.17413	36.2
397.14246	3.4
403.15323	7.6
405.17007	21.9
413.13770	4.7
415.15366	8.6
419.18420	6.1
421.16199	1.9
431.14835	22.9
433.16397	54.3
434.16544	1.7
437.19214	1.6
441.13205	5.4
445.15430	1.4
447.17749	1.8
449.15955	7.7
451.17740	8.6
459.14297	4.5
463.17294	4.3
465.19092	5.3
469.18829	2.9
477.15369	29.0
481.18826	1.7
489.19043	15.9
495.16391	53.8
507.20166	25.1
509.17908	13.2
525.21399	10.0
533.17694	4.7
551.18915	10.1
569.19916	5.7
586.11609	1.4
587.21155	20.8
601.22662	20.7
723.42218	2.1
739.40894	2.0
767.41278	16.6
785.42432	29.7
793.37067	2.1
811.39581	6.0
829.41724	9.8
843.43597	2.4
847.42340	28.7
861.44025	100.0
862.43677	2.7
879.43555	2.2
991.45349	5.7
1041.54163	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	1043.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03434	0.6
79.05484	0.2
80.05014	4.6
81.07049	0.2
91.05458	0.3
93.07017	0.2
95.04944	0.1
96.04491	3.9
97.02865	0.1
105.07018	0.2
106.02914	0.4
107.08578	0.2
109.06500	0.1
117.07027	0.1
119.04948	0.2
119.08600	0.5
121.02870	0.8
121.10125	0.2
124.03944	100.0
125.04272	0.7
131.08553	0.1
133.10147	0.1
140.03348	0.2
141.05531	0.2
145.10089	0.2
147.04375	0.7
155.06961	0.2
157.10091	0.2
159.11667	0.2
169.10129	0.2
171.11623	0.2
173.13231	0.3
176.01608	0.1
185.13271	0.2
187.11096	0.1
197.13237	0.4
201.12732	0.1
203.14406	0.1
209.13269	0.3
220.12471	0.2
225.16383	0.2
235.14807	0.5
239.07104	0.2
253.15651	0.1
257.04495	0.1
281.30591	0.1
287.05435	0.2
295.16861	0.2
313.17975	1.9
321.96185	0.1
331.19061	0.3
435.18637	0.2
454.22205	12.7
455.22635	0.3
479.16879	0.5
482.17450	0.1
497.17880	0.2
571.22070	0.1
577.25397	24.9
578.25787	0.5
579.25616	0.1
843.07312	0.1
845.39447	0.2
1043.39697	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	1044.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02916	4.9
73.06544	2.7
77.03940	1.8
78.99495	2.1
79.05488	8.3
81.03386	0.5
81.07025	0.6
87.04461	8.1
89.06023	18.6
91.05474	17.6
93.07039	1.8
95.04965	6.7
97.02889	0.5
103.05459	10.1
103.07570	3.5
105.04546	2.7
105.07022	100.0
106.07352	1.1
107.04941	3.6
107.07051	0.8
113.00015	5.6
113.05995	1.0
115.05457	1.0
115.07574	1.3
116.06219	1.0
116.31551	0.5
117.06991	2.8
117.09126	3.6
119.04958	1.3
119.08568	7.9
121.06493	12.5
127.01557	48.4
128.06198	3.0
129.06990	4.7
131.07085	2.6
131.08554	11.2
132.05705	1.9
133.06468	1.0
133.07578	0.7
133.08594	13.2
133.10146	1.5
135.04359	0.5
135.08069	0.9
139.01541	18.9
145.06454	1.9
145.10104	0.5
147.04395	3.7
147.08038	51.6
147.10107	2.7
148.08403	0.8
149.09608	10.8
153.03107	58.7
153.28624	0.5
155.06050	0.8
159.10173	1.4
161.11707	1.3
163.11189	0.9
165.06989	0.9
165.09067	0.8
166.07687	0.8
173.09633	2.0
175.09624	1.6
175.11110	0.8
177.11203	3.8
179.08615	0.5
181.10100	2.6
183.04150	6.8
191.10600	0.6
192.09334	0.5
197.05725	29.2
207.11746	0.8
208.08846	0.8
209.09717	0.7
215.06912	0.6
219.12115	0.5
221.13814	0.6
221.71886	0.4
223.11198	2.9
225.12723	30.6
227.06783	3.4
227.12704	0.6
234.10356	0.7
237.12790	0.8
241.08330	7.7
247.13339	0.8
249.12723	3.8
251.14352	4.7
267.13800	0.8
269.15323	1.9
271.09457	3.0
275.13028	0.5
285.11011	3.2
303.12134	0.8
313.17865	0.9
315.12036	2.2
327.17307	1.2
329.13721	0.8
329.18893	1.1
335.25882	0.8
343.11810	0.6
347.14706	1.1
359.14676	1.0
373.21558	7.8
391.17368	0.7
403.16885	0.7
417.18494	0.8
435.20352	0.6
437.60257	0.6
479.22733	0.7
567.27460	0.9
815.42664	0.7
829.43799	0.6
1027.52283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02908	4.7
73.06549	2.3
77.03918	1.7
78.99496	2.5
79.05489	9.7
80.26031	0.4
87.04464	6.4
89.05469	0.6
89.06026	16.7
91.05474	18.9
93.07038	2.0
95.04958	7.6
95.08595	0.5
103.05461	11.0
103.07581	3.3
105.04541	2.9
105.07022	100.0
106.07361	0.6
107.04953	4.2
107.07043	0.8
109.00516	0.5
113.00008	6.5
113.06016	1.2
115.05427	1.3
115.07561	1.4
116.06229	1.3
116.76556	0.5
117.07004	3.8
117.09109	3.5
119.04947	2.2
119.08563	8.1
121.02922	0.5
121.05627	0.5
121.06496	10.3
127.01557	54.8
128.06197	3.2
129.06999	5.4
129.19528	0.5
131.04887	0.4
131.07013	1.8
131.08568	10.5
132.05704	2.2
133.06468	1.2
133.08592	9.9
133.10159	1.3
135.07996	0.9
139.01541	15.8
145.06482	2.8
147.04388	3.1
147.08038	50.6
147.10088	1.9
149.09598	9.8
153.03105	49.9
155.06070	0.8
158.07280	0.5
159.10158	1.6
161.11693	1.1
165.06938	0.6
166.07805	0.9
173.09567	1.4
175.09671	1.2
175.11136	0.9
177.11229	3.6
178.07820	0.5
179.08572	1.1
181.10199	2.1
183.04147	5.5
191.10687	0.9
197.05725	22.8
207.11705	0.7
208.08817	0.7
209.13316	0.7
221.14058	0.5
223.11082	2.6
225.12714	24.5
227.06763	2.4
241.08325	5.6
247.13339	0.6
249.12750	4.7
251.14325	3.3
259.09427	0.8
267.13876	1.2
269.15363	1.3
271.09509	2.4
285.10965	2.0
291.80066	0.5
295.16998	0.5
303.12085	0.9
311.16428	1.4
313.17947	1.0
315.12067	2.1
327.17337	0.5
329.13342	0.6
329.18991	1.2
335.25781	0.7
343.11804	0.7
347.14767	0.6
359.14468	0.7
373.21530	5.5
391.17102	0.7
463.17218	0.9
554.17938	0.5
762.18866	0.5
797.42694	0.5
815.43353	1.1
955.00714	0.5
1027.54504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05505	1.2
83.01124	2.9
87.04470	1.5
89.06013	4.2
91.05492	0.9
95.04985	0.9
97.02741	0.8
103.05463	1.0
105.07016	15.5
106.07353	6.0
107.07711	0.8
108.53613	0.7
111.04188	7.4
112.04981	1.3
112.47030	0.6
121.06499	1.1
125.84497	0.7
127.01587	1.0
127.03673	6.1
133.08664	2.6
134.08951	1.0
139.01569	1.3
139.07353	2.2
141.05273	1.6
147.08151	0.9
153.03171	1.4
155.06781	8.6
155.07950	0.7
156.07642	1.3
169.08369	1.5
170.09256	1.0
171.06253	5.0
177.11435	0.7
183.10052	2.6
184.10782	0.9
185.07953	2.3
186.08720	1.1
188.06618	0.8
199.09409	7.5
200.10320	1.9
213.11160	1.4
214.11772	1.4
215.08948	3.5
227.12743	2.3
229.10564	1.1
230.11385	1.0
243.11993	8.0
251.14442	0.9
252.14951	1.2
257.13705	2.6
259.11664	3.0
271.15109	6.9
273.13141	1.4
287.14603	7.8
301.16370	1.3
303.14169	1.7
315.17838	3.6
331.17142	7.4
333.39407	0.7
347.16977	1.2
359.20871	0.9
375.19742	4.1
391.19623	2.1
400.90186	0.7
419.22430	6.9
435.16861	1.0
435.21768	4.5
463.25412	2.1
479.24527	3.8
507.27591	7.4
523.27411	5.2
551.30658	2.5
567.29688	3.5
595.33020	6.2
611.32251	4.7
639.35669	1.5
1045.58508	100.0
1046.58765	3.6
1067.55359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03444	1.0
79.04211	0.2
79.05485	0.4
80.05008	5.0
81.07040	0.2
89.03909	0.1
91.05465	0.5
93.07050	0.5
95.04977	0.5
95.08585	0.4
96.04482	4.6
96.12865	0.1
105.03376	1.5
105.04462	0.1
105.06994	0.5
106.02916	1.1
107.04964	0.1
107.08550	0.4
109.06524	0.1
109.10152	0.1
111.08063	0.1
115.05444	0.1
117.06956	0.2
119.08561	0.9
121.10126	0.2
123.08071	0.2
124.03937	100.0
125.04272	0.5
129.07001	0.2
131.08566	0.4
133.10124	0.4
135.04408	0.3
135.36755	0.1
137.02332	0.1
137.05969	0.2
140.03368	0.2
141.06949	0.1
142.07788	0.1
143.08549	0.3
145.02802	0.1
145.06396	0.1
145.10117	0.3
147.08054	0.1
147.11678	1.0
149.05904	0.1
151.03992	0.1
153.07031	0.1
155.08492	0.2
156.09332	0.2
157.10136	0.4
158.10893	0.2
159.11673	0.3
161.09602	0.4
161.13211	0.3
163.03886	1.1
167.08514	0.2
169.10123	0.4
171.11636	0.1
172.12431	0.2
173.13263	0.3
175.07559	0.1
175.11153	0.1
176.11975	0.4
176.15611	0.1
177.05562	0.1
179.08530	0.1
181.10118	0.2
183.11690	0.3
185.13300	0.1
187.11166	0.1
187.14816	0.1
193.10118	0.2
194.10876	0.1
195.11678	0.3
197.13277	0.1
201.09233	0.1
201.12758	0.1
203.14301	0.2
205.08554	0.1
207.11743	0.1
208.12677	0.1
209.13264	0.2
211.14833	0.1
215.10625	0.1
219.14084	0.1
221.13312	0.2
225.16397	0.1
227.10501	0.1
228.06636	0.2
235.14705	0.1
239.10719	0.1
241.12256	0.1
247.13321	0.3
249.16444	0.2
253.12149	0.1
253.15904	0.1
255.13654	0.1
267.17395	0.2
268.35602	0.1
271.16919	0.5
275.12842	0.3
295.16879	1.6
313.17941	1.6
315.12228	0.1
333.13449	0.1
335.25766	0.3
343.11722	0.2
470.22940	0.1
479.17044	0.4
497.17990	0.2
553.20264	0.1
558.24799	39.8
559.25214	0.7
571.21631	0.4
700.84973	0.1
729.33319	0.1
813.42261	0.2
831.42877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02907	5.2
79.05469	1.8
81.03409	27.0
81.07060	3.0
83.01354	1.1
83.04967	1.0
85.02894	100.0
87.00816	46.8
87.04453	0.8
91.03949	1.6
91.05471	2.3
93.07050	2.9
95.04990	0.7
95.08022	0.8
95.08598	10.5
97.02881	49.3
97.10155	0.7
99.04444	15.0
101.02398	1.1
103.03949	1.1
105.01854	84.9
105.07027	3.5
107.08560	4.5
109.02866	41.0
109.10151	8.3
111.04424	0.5
115.03909	1.2
117.01835	3.2
117.05523	0.5
117.77791	0.5
119.04910	0.8
119.08551	5.2
120.17133	0.6
121.10129	6.7
123.02933	0.7
123.11680	2.0
125.02420	0.6
127.03902	92.7
129.01848	3.6
129.18027	0.5
132.67143	0.6
133.10088	5.9
135.11671	3.8
137.13194	0.6
145.04942	32.7
145.10095	1.7
147.02881	2.5
147.11667	3.4
149.13229	2.3
153.09120	1.1
159.02867	15.2
159.11691	2.1
161.13260	2.9
163.05978	0.8
163.14796	3.9
167.10678	0.7
169.04903	0.9
171.02855	1.1
173.13211	1.0
175.14763	1.9
177.03932	1.3
177.16365	1.1
178.41550	0.6
180.69078	0.5
183.02905	0.8
187.14830	2.1
189.03923	3.2
189.16354	6.6
191.17917	24.8
201.03860	0.5
201.16350	2.5
203.17917	17.7
205.19490	2.4
205.42256	0.6
207.17432	1.7
211.05835	0.8
213.03893	14.7
213.05806	1.0
215.17885	0.8
217.19482	3.0
219.31009	0.5
221.18997	0.8
231.04968	60.5
231.21030	1.6
235.16899	1.3
247.16956	1.1
249.06035	36.7
249.18462	6.9
253.07095	5.4
261.18494	1.3
271.08109	5.3
273.05994	0.9
275.19882	0.8
283.24100	0.9
297.25403	0.7
299.90417	0.5
318.56464	0.5
329.24564	1.2
343.26108	2.8
355.25922	0.6
357.08133	3.7
368.98483	0.6
375.09238	5.1
393.10217	15.3
393.35144	5.4
406.65445	0.5
411.11270	5.8
411.36115	4.7
439.35678	20.3
439.41733	1.0
590.18860	1.6
1053.18372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02907	5.2
79.05469	1.8
81.03409	27.0
81.07060	3.0
83.01354	1.1
83.04967	1.0
85.02894	100.0
87.00816	46.8
87.04453	0.8
91.03949	1.6
91.05471	2.3
93.07050	2.9
95.04990	0.7
95.08022	0.8
95.08598	10.5
97.02881	49.3
97.10155	0.7
99.04444	15.0
101.02398	1.1
103.03949	1.1
105.01854	84.9
105.07027	3.5
107.08560	4.5
109.02866	41.0
109.10151	8.3
111.04424	0.5
115.03909	1.2
117.01835	3.2
117.05523	0.5
117.77791	0.5
119.04910	0.8
119.08551	5.2
120.17133	0.6
121.10129	6.7
123.02933	0.7
123.11680	2.0
125.02420	0.6
127.03902	92.7
129.01848	3.6
129.18027	0.5
132.67143	0.6
133.10088	5.9
135.11671	3.8
137.13194	0.6
145.04942	32.7
145.10095	1.7
147.02881	2.5
147.11667	3.4
149.13229	2.3
153.09120	1.1
159.02867	15.2
159.11691	2.1
161.13260	2.9
163.05978	0.8
163.14796	3.9
167.10678	0.7
169.04903	0.9
171.02855	1.1
173.13211	1.0
175.14763	1.9
177.03932	1.3
177.16365	1.1
178.41550	0.6
180.69078	0.5
183.02905	0.8
187.14830	2.1
189.03923	3.2
189.16354	6.6
191.17917	24.8
201.03860	0.5
201.16350	2.5
203.17917	17.7
205.19490	2.4
205.42256	0.6
207.17432	1.7
211.05835	0.8
213.03893	14.7
213.05806	1.0
215.17885	0.8
217.19482	3.0
219.31009	0.5
221.18997	0.8
231.04968	60.5
231.21030	1.6
235.16899	1.3
247.16956	1.1
249.06035	36.7
249.18462	6.9
253.07095	5.4
261.18494	1.3
271.08109	5.3
273.05994	0.9
275.19882	0.8
283.24100	0.9
297.25403	0.7
299.90417	0.5
318.56464	0.5
329.24564	1.2
343.26108	2.8
355.25922	0.6
357.08133	3.7
368.98483	0.6
375.09238	5.1
393.10217	15.3
393.35144	5.4
406.65445	0.5
411.11270	5.8
411.36115	4.7
439.35678	20.3
439.41733	1.0
590.18860	1.6
1053.18372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.6466
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02908	3.3
73.06564	2.5
87.04458	26.8
89.06020	100.0
95.04967	0.8
107.07075	2.1
107.93343	0.4
113.05996	2.4
115.07594	0.9
117.09116	3.9
130.08591	0.9
131.07024	8.2
133.08591	60.4
151.09665	0.4
157.08624	0.8
159.10193	0.9
161.11732	1.5
175.09650	6.4
177.11195	20.9
179.12825	0.5
200.83302	0.4
201.11188	0.7
210.44171	0.5
219.12245	1.8
221.13795	4.4
223.15411	0.7
239.14847	0.8
261.61029	0.5
265.16336	0.6
283.17432	1.5
309.19138	0.6
327.19876	0.6
339.36835	0.4
353.21658	0.7
371.14859	1.5
397.24268	0.6
579.03284	0.5
778.08270	0.5
863.37671	0.5
1031.59729	1.2
1034.98694	0.5
1048.63770	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	105.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
53.86732	1.3
69.49303	2.4
69.49712	4.6
72.04509	2.9
77.03931	7.5
79.05492	45.3
84.80775	1.6
87.00832	44.5
88.04842	1.6
95.04961	22.2
98.15779	1.3
103.05471	32.2
105.01866	3.2
105.04518	10.1
105.07029	100.0
105.11075	6.7
106.03194	1.6
106.06535	3.9
106.07317	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01599	0.4
51.02380	1.4
53.03941	4.8
65.03931	1.3
66.44754	0.4
77.03925	7.4
79.05487	49.7
81.03410	0.6
94.28205	0.4
95.04962	25.4
102.85223	0.4
103.05460	29.6
105.04512	9.9
105.07021	100.0
106.06606	0.7
106.07349	2.1
118.06496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01616	0.7
51.02365	1.3
53.03939	5.3
63.95924	0.7
65.03932	1.6
77.03921	5.7
78.09273	0.7
79.05485	45.8
80.05794	0.8
82.62930	0.7
83.70432	0.5
93.88945	0.7
95.04961	30.2
98.23495	1.9
101.52501	0.6
103.05457	27.7
104.26866	0.7
105.03410	1.5
105.04517	12.0
105.07020	100.0
105.11070	2.2
106.06544	1.8
106.07382	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	105.0699
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03942	4.2
53.86732	1.3
69.49303	2.4
69.49712	4.6
72.04509	2.9
77.03931	7.5
79.05492	45.3
84.80775	1.6
87.00832	44.5
88.04842	1.6
95.04961	22.2
98.15779	1.3
103.05471	32.2
105.01866	3.2
105.04518	10.1
105.07029	100.0
105.11075	6.7
106.03194	1.6
106.06535	3.9
106.07317	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02378	1.2
53.03947	5.2
65.03934	2.0
70.29025	0.7
75.03580	0.5
77.03928	6.4
79.05490	50.6
80.05856	0.6
95.04965	25.1
103.05465	28.0
105.04518	10.1
105.07025	100.0
106.07349	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01600	0.5
51.02379	1.5
53.03948	4.6
65.03931	0.3
69.13123	0.7
69.13525	1.7
77.03930	9.0
79.05490	48.2
80.05817	0.5
95.04963	23.9
103.05465	35.4
104.05782	0.9
105.04527	10.0
105.07024	100.0
106.07330	2.0
124.86378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.646
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02898	0.8
73.06549	1.7
77.03925	1.0
79.05484	5.9
84.43095	0.3
87.04462	2.8
87.98692	0.3
89.06020	8.7
91.05472	3.7
93.07011	0.3
95.04956	4.4
103.05459	5.9
103.07570	39.4
105.04592	1.5
105.07018	100.0
107.07076	0.3
113.05980	0.7
113.98732	0.3
115.05453	0.6
116.06259	0.4
117.07021	0.5
117.09130	3.4
119.08606	0.7
121.06469	2.2
126.20764	0.3
129.07013	1.4
131.07028	1.0
131.08563	6.8
133.06563	0.3
133.08589	7.1
133.10143	0.8
142.18910	0.3
143.08514	0.3
145.06491	0.4
147.08197	3.1
147.10146	19.5
149.09628	0.8
158.06721	0.3
159.10146	0.6
161.11736	1.2
165.07042	0.3
165.11206	0.3
173.09656	0.6
175.09677	1.1
177.11195	2.5
181.10179	0.6
191.10471	0.3
191.12796	1.1
193.10144	0.3
193.12199	0.3
207.11771	0.4
209.11577	0.3
209.13445	0.5
223.11206	1.1
225.12723	6.3
227.12769	0.4
235.15125	0.9
248.01585	0.3
249.12799	1.0
251.14288	14.4
253.15921	3.6
267.13834	0.4
267.17441	0.4
269.15433	1.3
295.17078	0.9
311.16644	0.8
313.18158	1.0
315.17935	0.3
327.17422	2.5
329.18976	14.8
353.19089	0.8
355.20392	0.3
371.20129	1.2
373.21539	3.9
373.25647	0.4
419.24496	0.4
477.27811	5.6
477.33878	0.5
708.73657	0.3
1054.64563	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	1054.6456
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02907	0.6
73.06560	1.6
77.03922	0.7
79.05482	6.3
87.04456	2.5
89.06026	6.9
91.05479	3.9
95.04957	4.2
98.22664	0.3
103.05453	6.5
103.07568	34.8
105.04584	1.6
105.07016	100.0
106.07355	0.6
113.06030	0.4
115.05450	0.4
115.07551	0.5
116.06140	0.3
117.06979	0.6
117.09122	3.0
119.08572	0.6
121.06490	2.2
129.06989	1.3
131.07025	0.8
131.08546	6.9
133.08595	5.7
133.10124	0.7
145.06517	0.6
147.08179	2.7
147.10143	14.7
149.09602	0.7
154.81856	0.3
155.08578	0.4
161.11610	1.4
165.06952	0.4
165.09050	0.5
173.09622	0.3
175.09601	0.8
177.11194	2.7
178.07677	0.4
181.10127	0.5
191.10780	0.4
191.12775	1.1
197.09663	0.3
207.11650	0.3
221.13776	0.4
223.11162	0.8
225.12700	5.8
227.12723	0.4
235.15025	0.8
249.12758	0.9
251.14285	13.0
253.15895	3.4
256.75308	0.3
267.13712	0.7
269.15323	1.2
295.16968	0.8
311.16739	0.4
313.17917	0.7
327.17267	2.6
329.18967	12.8
353.18857	1.0
355.20261	0.4
371.19962	0.9
373.21628	3.2
399.93600	0.3
413.25800	0.3
415.22836	0.4
477.27783	4.7
700.76318	0.4
1054.64587	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	1054.6473
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02914	0.7
73.06544	2.5
77.03936	1.2
79.05490	6.6
87.04456	4.0
89.06023	9.4
91.05479	3.4
93.07046	0.5
95.04967	4.3
103.03962	0.8
103.05463	6.8
103.07573	30.3
105.04559	2.3
105.07021	100.0
106.07379	0.7
117.05455	0.6
117.06980	0.6
117.09103	3.1
119.08611	0.7
121.06497	2.3
125.07076	0.5
128.06178	0.6
129.07001	1.5
131.07030	1.0
131.08571	6.4
133.08592	5.3
145.06439	0.5
147.08118	2.4
147.10139	12.3
161.11710	0.9
173.09546	0.9
175.09647	1.0
176.55528	0.4
177.11208	1.7
181.10078	0.6
191.12941	1.0
213.51285	0.5
223.11136	0.7
225.10680	0.9
225.12717	6.8
246.66600	0.5
249.12737	0.6
251.14284	14.0
253.15845	3.9
267.13870	1.0
269.15314	1.1
299.95761	0.5
307.24594	0.5
327.17508	2.3
329.18964	14.1
345.46289	0.6
355.20334	0.8
371.20047	0.9
373.21509	3.6
433.52774	0.5
477.27847	5.2
816.83051	0.5
877.00806	0.6
1054.64734	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	1056.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
74.40342	0.6
78.03058	0.6
78.03444	3.9
79.05495	3.4
80.05008	2.6
80.12258	0.6
81.03423	6.4
81.07058	4.1
83.04972	9.6
89.18679	0.5
89.32130	0.6
91.05480	4.9
93.07050	3.3
95.04955	3.3
95.08598	2.3
96.04483	4.5
103.05465	3.0
105.07025	15.6
106.02908	7.4
107.04957	1.3
107.08602	3.8
109.06519	1.6
109.10127	1.0
111.04442	13.2
113.06000	0.7
115.05414	0.7
117.07015	3.9
119.08575	8.9
121.06489	1.3
121.10109	1.3
124.03948	100.0
125.04287	1.1
128.06252	2.2
129.07002	4.9
131.04910	7.8
131.08574	6.2
133.06459	1.2
133.10149	4.5
135.08086	1.0
139.00294	3.9
139.01192	0.8
140.94739	0.6
141.07101	1.3
142.07767	2.7
143.08568	6.7
144.09302	0.9
145.06470	1.7
145.10103	6.2
147.08052	2.0
147.11658	2.0
149.09662	0.6
153.06966	0.7
155.08554	3.5
156.09328	2.4
157.01343	0.8
157.10123	7.4
159.07973	1.0
159.11688	5.9
161.09608	1.2
161.13260	1.6
165.01846	1.2
165.07019	1.8
166.07806	1.1
166.99763	4.2
167.08549	2.6
168.09399	1.4
169.01308	4.2
169.10123	3.7
170.10922	2.1
171.08022	0.9
171.11690	3.7
172.08691	0.8
173.05981	0.6
173.09685	1.4
173.13220	3.9
175.11163	1.5
175.14828	4.9
178.07809	0.7
179.08553	2.9
181.10115	1.7
182.10857	0.8
183.04439	0.7
183.08044	1.1
183.11623	3.8
185.00810	56.2
185.09567	1.1
185.13257	7.5
186.01479	0.8
187.11203	1.7
187.14812	1.0
191.08598	0.9
191.14195	1.2
192.09363	0.9
193.01260	0.7
193.10107	1.8
194.10907	1.0
194.99243	1.7
195.11664	2.3
196.12413	0.6
197.00839	0.6
197.09721	0.6
197.13210	2.1
199.11267	0.9
199.14833	0.6
201.12730	1.9
203.14297	14.6
205.10072	1.2
207.11731	2.6
208.12347	0.6
209.00912	0.9
209.13188	1.7
211.11298	1.0
211.14909	0.7
213.00316	11.4
213.12711	3.6
214.99879	0.7
215.07039	1.2
218.99150	0.6
219.11708	1.7
220.12425	0.5
221.00850	1.4
221.13303	1.4
221.15454	2.2
223.14783	1.4
225.00313	1.1
225.05530	0.6
225.12848	0.9
227.14337	2.5
231.13885	1.4
233.00797	1.3
233.13290	1.2
233.77864	0.6
235.14803	0.7
237.00256	0.9
237.85858	0.6
239.14418	1.0
239.17973	0.8
241.15999	0.7
243.06551	1.7
249.00282	0.9
249.16393	1.3
251.14328	1.2
253.05086	1.3
267.17459	3.4
269.15268	1.2
270.07858	0.7
271.05988	70.3
272.06360	2.1
272.09180	0.9
273.07529	4.8
277.15775	1.9
283.16907	0.8
285.18527	1.4
288.99756	3.7
295.16946	6.9
298.98248	1.5
299.05466	7.8
303.05023	1.0
307.00732	0.7
313.17950	6.0
316.99265	4.1
326.17477	4.1
331.19025	0.9
335.00421	1.1
344.18555	4.8
347.05899	0.8
393.06110	0.7
399.16592	0.6
405.09808	1.2
406.09644	0.8
407.10989	0.8
411.07086	0.6
421.05518	7.3
436.21164	4.6
451.76447	0.6
454.22388	5.3
456.90845	0.7
496.23236	0.8
497.12201	1.2
507.10672	3.3
514.24402	14.2
525.11774	4.6
543.13031	0.9
544.94061	0.6
565.49646	0.6
607.14459	0.6
688.33569	0.9
694.77521	0.7
704.18713	0.7
1070.54309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.318
Annotation	Unknow
Peak:m/z	Relative Intensity
81.58053	0.5
85.02906	0.7
102.62047	0.5
103.80856	0.5
119.04943	0.9
121.02839	1.0
131.39827	0.6
133.13342	0.6
153.01826	2.7
163.03889	2.4
171.02882	0.6
271.05991	100.0
272.06323	2.9
325.09152	0.6
346.51398	0.6
406.12146	0.8
440.90338	0.7
605.57294	0.6
661.52930	0.6
885.46490	0.6
1001.74915	0.7
1064.34949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.5757
Annotation	Unknow
Peak:m/z	Relative Intensity
76.56257	0.2
77.03910	1.2
78.99491	1.5
79.05484	6.9
84.60247	0.2
87.04461	3.1
87.33236	0.2
89.06026	7.4
91.05473	4.2
95.04345	0.3
95.04955	4.6
103.04758	0.3
103.05462	6.5
103.07583	2.1
105.04588	1.8
105.07021	100.0
106.07365	0.5
107.04969	0.2
107.07074	0.2
110.72217	0.2
113.00009	3.4
113.05966	0.5
115.05463	0.4
115.07584	0.9
116.06223	0.5
117.06990	0.7
117.09132	1.4
117.46003	0.1
119.08556	0.5
121.06502	1.9
124.99958	0.2
127.01556	27.6
128.06200	0.4
129.06979	1.5
130.08568	0.2
131.07018	0.7
131.08556	8.2
133.08592	5.7
133.10068	0.8
139.01538	8.9
141.07010	0.3
145.06438	0.3
145.10094	0.3
147.08043	2.1
147.10109	1.2
149.09627	1.0
153.03104	31.5
155.08601	0.2
159.10161	0.8
161.11702	0.5
165.06990	0.4
165.09073	0.2
166.07785	0.2
171.07957	0.2
173.09537	0.8
175.09639	0.7
175.11044	0.3
177.11189	1.5
178.07726	0.2
179.08542	0.4
181.10097	0.7
183.04169	3.9
183.10139	0.2
191.10638	0.3
192.09361	0.2
197.05725	16.2
203.08589	0.2
207.11719	0.2
209.09503	0.2
209.13303	0.4
215.06750	0.2
218.85623	0.2
221.09695	0.2
221.13766	0.3
223.11172	1.1
225.12715	5.7
227.06796	1.9
227.12778	0.4
235.14845	0.6
239.14464	0.2
241.08336	4.6
249.12723	0.6
251.14296	13.9
253.15962	4.1
259.09326	0.5
267.13718	0.8
269.15302	0.9
271.09393	2.2
271.15292	0.2
275.46814	0.2
277.15833	0.2
285.10965	1.6
295.16882	0.5
301.15857	0.3
303.12012	0.6
311.16382	0.4
313.17883	0.6
315.12030	1.2
315.17831	0.3
327.17358	3.2
329.13736	0.5
329.18958	14.2
330.19183	0.6
347.14444	0.4
353.18915	0.7
355.20361	0.6
357.20636	0.2
359.14566	0.7
371.19879	0.8
373.16879	0.2
373.21600	3.6
391.17212	0.5
403.17221	0.4
415.22482	0.2
431.23523	0.3
435.19833	0.3
447.19763	0.3
477.27832	4.0
479.22595	0.4
523.24780	0.2
761.90729	0.2
939.47412	0.9
949.54572	0.2
1043.53479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.5751
Annotation	Unknow
Peak:m/z	Relative Intensity
76.89803	0.2
77.03935	0.9
78.99498	1.1
79.05483	6.8
87.04457	3.6
89.06020	9.7
91.05465	3.7
93.07061	0.3
95.04959	4.6
102.29249	0.2
102.87808	0.2
103.05453	6.3
103.06931	0.2
103.07578	2.9
105.04578	1.7
105.07018	100.0
106.07365	0.9
107.07033	0.3
109.00566	0.3
111.02100	0.2
113.00006	3.2
113.05978	0.7
115.05451	0.6
115.07568	1.2
116.06241	0.4
117.07002	0.3
117.09119	2.4
119.04942	0.2
119.08568	0.5
121.06489	2.1
125.14874	0.2
127.01551	23.3
128.06180	0.3
129.06990	1.3
130.08669	0.2
131.07111	1.3
131.08553	9.4
133.08589	8.3
133.10049	0.9
134.53717	0.2
139.01532	9.4
145.06491	0.5
145.10080	0.2
147.08041	2.4
147.10143	1.8
149.09590	1.1
153.03096	34.7
159.10165	1.1
161.11734	1.0
165.06976	0.3
165.09103	0.3
166.07793	0.3
173.09653	0.6
175.09689	0.8
177.11194	2.7
177.12741	0.2
178.07758	0.2
179.08560	0.2
181.10190	0.8
183.04152	4.8
183.10052	0.2
191.08510	0.2
191.10648	0.5
191.12643	0.2
193.12164	0.2
197.05714	24.3
198.06265	0.2
201.11244	0.2
203.12703	0.2
207.11661	0.4
209.09563	0.2
209.11607	0.4
209.13361	0.4
211.13243	0.3
215.06743	0.4
219.12201	0.2
221.13803	0.5
223.11137	1.1
225.12711	7.9
227.06787	2.5
227.12735	0.5
228.82706	0.2
235.14841	0.4
237.12653	0.2
239.14410	0.2
241.08340	6.8
249.12666	0.8
251.14293	15.9
252.14655	0.3
253.15930	4.8
259.09439	0.9
267.13858	1.0
267.17624	0.3
269.15240	1.4
271.09390	3.3
271.15280	0.4
277.15894	0.2
285.10934	2.4
295.16812	0.6
301.15649	0.2
303.11859	0.7
311.16315	0.7
313.18146	0.8
315.12042	2.3
315.17612	0.4
327.17426	4.1
329.18954	19.9
330.19177	0.5
339.19339	0.3
347.14539	0.7
353.18988	1.0
355.20691	0.9
357.20471	0.2
359.14600	0.9
371.19882	1.3
373.16669	0.3
373.21558	5.0
375.21570	0.4
391.17148	0.6
399.22501	0.2
403.17136	0.5
415.22626	0.4
417.23694	0.2
419.24344	0.3
431.23248	0.2
433.25226	0.3
435.19629	0.6
461.27377	0.2
463.26648	0.2
477.27829	6.9
478.27942	0.3
479.22327	0.7
523.25562	0.3
567.27515	0.3
835.40723	0.3
939.49127	0.9
1043.53149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
77.74523	0.7
82.68401	0.7
95.41563	0.9
105.06999	0.9
124.91438	0.6
185.94846	0.7
247.92043	0.8
456.71658	0.7
465.30225	0.8
580.30176	0.8
658.91907	0.8
707.57251	0.7
770.34845	0.8
862.08191	0.7
1061.55920	100.0
1062.55884	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	1061.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
77.74523	0.7
82.68401	0.7
95.41563	0.9
105.06999	0.9
124.91438	0.6
185.94846	0.7
247.92043	0.8
456.71658	0.7
465.30225	0.8
580.30176	0.8
658.91907	0.8
707.57251	0.7
770.34845	0.8
862.08191	0.7
1061.55920	100.0
1062.55884	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	1062.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	2.4
81.03413	28.0
81.07054	3.7
83.01334	1.3
83.04993	0.7
83.08605	1.1
85.02899	100.0
87.00825	52.7
87.04472	1.3
91.03949	2.4
91.05465	3.1
93.07040	4.7
95.04951	1.0
95.08601	9.6
97.02886	52.0
97.10148	0.7
99.04453	16.4
99.08083	1.3
101.02383	1.0
103.03935	1.3
105.01861	83.3
105.07026	5.0
107.08585	7.5
109.02873	43.0
109.10145	6.5
111.04454	0.6
115.03925	1.5
117.01861	4.1
117.06976	0.8
119.08574	10.3
121.10133	7.5
122.13408	0.5
123.04427	0.9
123.11707	1.8
127.03908	91.8
129.01848	3.6
131.08549	4.3
133.10124	7.1
135.11691	4.6
136.20244	0.4
137.05959	0.5
137.13205	0.6
139.03889	0.6
143.08553	0.5
145.04953	32.9
145.10118	6.6
145.47780	0.4
147.02899	2.6
147.11670	7.1
149.13271	1.8
151.03915	1.2
151.07567	0.6
157.10115	1.6
159.02873	14.9
159.11696	6.6
161.13251	3.8
163.14813	4.1
169.04936	0.9
171.02899	1.3
171.11668	1.0
173.13268	4.5
175.14832	3.3
177.03902	0.8
177.16368	1.6
179.14304	0.7
181.04935	0.7
185.13264	1.3
187.06071	0.6
187.14801	7.8
189.03926	4.0
189.16359	6.0
191.17932	28.7
192.18144	0.5
197.13124	0.5
199.14861	1.4
201.16368	17.1
203.17932	5.9
205.15839	0.7
205.19487	0.9
207.17416	5.1
211.14952	0.5
213.03926	17.1
213.16318	2.4
215.17891	1.7
217.16025	0.5
217.19432	2.9
219.17456	3.6
221.15384	0.8
221.18901	0.6
227.17970	1.2
229.15906	0.7
229.19421	2.1
231.04984	56.7
233.15259	0.6
241.19559	0.8
247.16939	8.1
249.06049	34.7
249.18579	0.5
253.07062	6.4
271.08118	6.2
273.06012	0.5
313.25110	0.6
327.23074	1.1
339.07025	0.6
341.24744	1.0
357.08127	4.1
359.25659	1.4
371.26001	0.7
375.09113	5.8
381.49353	0.5
391.33594	6.5
393.10229	12.4
393.34924	0.5
404.73605	0.5
409.34592	7.7
411.11313	5.1
419.33017	0.6
427.35464	1.2
437.28253	0.9
437.34131	17.6
438.34384	0.6
455.35153	15.3
462.45023	0.5
590.18854	1.6
661.62189	0.5
1062.55029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
77.91032	0.4
79.00762	0.4
79.05494	1.3
81.03413	29.5
81.07049	3.0
83.01334	1.0
83.04987	0.9
83.08593	0.6
84.97725	0.5
85.02899	100.0
86.03230	0.7
87.00822	48.4
87.04469	1.0
91.03928	1.2
91.05482	1.7
93.07045	3.2
95.04957	1.3
95.08604	5.6
95.35762	0.5
96.52972	0.5
96.58728	0.5
97.02886	50.6
98.03249	0.5
98.22710	1.5
99.04450	13.8
101.02361	1.1
103.03916	1.1
103.05437	0.5
105.01861	84.6
105.07033	3.0
107.08585	4.1
109.02872	44.8
109.10148	4.5
115.03936	1.8
117.01847	3.9
117.06975	0.6
119.08566	5.6
121.10133	5.8
123.02917	0.5
123.04402	0.9
123.11693	1.1
125.02383	0.5
127.03909	91.0
128.04245	0.8
129.01868	3.4
131.08549	0.9
133.10136	4.8
135.11696	1.9
139.03903	0.6
145.04953	35.3
145.10121	3.2
146.05341	0.6
147.02878	2.8
147.11676	3.5
149.13248	2.5
151.03958	0.9
159.02878	15.7
159.11708	3.3
161.13223	3.4
163.06017	0.5
163.11151	1.3
163.14816	2.7
169.04906	0.7
171.02916	1.2
171.11775	0.5
173.13251	1.3
175.14784	3.1
177.03957	1.0
177.05421	0.5
177.12781	0.6
177.16382	4.3
181.04973	0.9
187.14801	5.0
189.03891	3.0
189.16360	7.8
191.17943	2.8
193.04959	0.5
201.16464	2.4
203.16119	0.9
203.17943	14.6
205.07143	0.5
205.15860	7.5
205.19339	0.5
207.17444	1.3
211.05952	1.2
213.03925	16.6
213.16360	0.9
215.17969	0.7
219.17416	0.9
223.16924	1.9
231.04984	55.0
241.19479	0.5
249.06036	37.1
249.18492	2.5
253.07100	5.3
263.67297	0.5
271.08099	4.4
302.15094	0.5
339.07156	1.5
357.08109	3.7
373.02353	0.5
375.09232	5.8
389.05560	0.6
391.33600	3.1
393.10236	12.1
409.34616	21.0
411.11359	4.5
427.35641	5.4
437.34146	10.7
455.35178	8.7
473.36407	1.0
504.95721	0.5
572.18207	0.6
589.39911	0.5
590.18988	1.8
1062.28284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05484	2.3
81.03411	29.2
81.07054	4.7
83.01331	1.0
83.08601	1.1
85.02897	100.0
87.00820	50.0
91.03941	2.2
91.05473	3.2
93.07034	6.1
95.08591	9.6
97.02882	51.0
97.10159	0.9
99.04449	16.6
99.08090	1.6
101.02370	1.3
103.03935	1.4
105.01856	81.6
105.07018	5.7
107.08571	6.8
109.02870	40.0
109.03638	1.2
109.10147	7.7
111.04488	1.1
115.03926	1.6
117.01851	3.0
117.06925	1.2
119.08578	10.5
121.10142	6.7
123.11721	1.5
127.03903	96.7
129.01814	3.5
129.55272	0.7
131.08562	3.5
133.10114	9.8
134.65295	0.7
135.11676	5.6
143.08553	0.9
145.04945	33.5
145.10080	6.8
147.02875	2.6
147.11691	6.6
149.13208	1.8
151.03857	1.1
157.10042	0.8
159.02863	13.6
159.11684	8.7
161.13188	2.0
163.14786	3.9
171.02950	1.3
173.13255	3.6
175.14832	3.2
177.16357	2.1
185.13249	2.0
186.14043	0.8
187.14845	7.6
189.03903	4.7
189.16377	5.8
191.17920	28.3
199.14783	1.7
201.16379	16.9
202.50784	0.9
203.17940	6.2
207.17444	4.0
213.03918	16.8
213.16399	2.5
215.17932	2.0
217.19559	1.6
219.17418	2.5
221.15340	1.0
227.17873	1.1
229.19481	1.6
231.04970	58.7
241.19501	1.2
247.16916	7.3
249.06023	35.0
253.06987	5.7
271.08084	4.8
327.23175	1.0
341.24722	1.0
357.08203	4.4
375.09195	4.3
391.33487	6.9
393.10217	11.1
409.34561	7.8
411.11377	4.8
419.33087	1.2
427.35568	1.0
437.34103	18.4
455.35132	14.3
590.19098	1.6
596.75269	0.8
1062.55798	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	1066.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03919	0.7
79.05482	3.7
87.04459	100.0
89.06020	6.2
91.05469	7.0
93.07036	0.6
95.04964	2.8
103.05463	4.3
105.04561	1.0
105.07017	44.7
107.04961	1.3
107.07066	0.2
109.73637	0.2
113.06024	0.3
115.05441	0.6
115.07556	0.2
116.06237	0.4
117.06972	1.3
117.09122	1.6
119.04943	0.6
119.08568	2.5
121.06495	4.7
128.06180	1.4
129.07005	1.9
131.04944	0.2
131.07039	5.2
131.08545	4.9
132.05685	0.9
133.08589	4.8
133.10141	0.7
135.08028	0.3
145.06517	0.7
145.36108	0.2
147.08031	22.5
149.09602	4.9
153.07039	0.3
155.06068	0.3
156.34779	0.2
159.10193	0.3
161.11784	0.5
163.07597	0.2
165.06979	0.2
165.09131	0.4
166.07765	0.4
173.09615	0.6
175.09659	1.3
175.11006	0.3
177.11200	1.7
179.08646	0.4
181.10083	1.2
191.10713	0.6
193.10501	0.2
207.11887	0.2
208.08894	0.3
209.11584	0.2
219.12263	4.9
221.09674	0.3
221.13834	0.2
223.11186	1.3
225.12715	14.1
249.12714	1.9
251.14320	2.0
253.14365	0.2
255.16150	0.2
263.14999	0.4
267.13858	0.4
269.15335	1.0
271.15375	0.2
311.16504	0.4
313.18103	0.5
327.17453	0.4
329.19006	0.4
373.21582	4.8
387.68048	0.2
415.23648	0.2
770.71167	0.2
1066.63538	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	1066.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03921	1.0
79.05486	5.0
87.04459	100.0
88.04792	0.3
89.06023	5.5
91.05472	11.3
93.07041	1.2
95.04961	3.7
103.04774	0.3
103.05454	6.0
105.04514	1.9
105.07020	50.5
107.04941	2.0
113.05951	0.5
115.05430	1.0
115.07523	0.4
116.06242	0.4
117.07004	1.9
117.09118	1.5
119.04928	0.6
119.08572	4.9
121.06495	5.7
128.06218	2.8
129.06998	3.1
131.04910	0.4
131.07042	4.3
131.08549	4.8
132.05679	0.8
133.06483	0.4
133.08603	3.4
133.10106	0.7
135.08049	0.5
145.06485	0.8
147.08034	27.0
149.09601	5.1
155.06026	0.4
159.10136	0.4
161.11697	0.5
165.06989	0.4
166.07729	0.4
173.09624	0.5
175.09595	1.2
177.11258	1.2
179.08449	0.3
181.10072	1.1
183.69189	0.2
191.10608	0.4
193.12256	0.3
207.11656	0.4
219.12254	4.3
221.13609	0.3
223.11186	1.5
225.12720	12.1
234.10689	0.3
238.13110	0.3
249.12750	2.2
251.14261	1.4
263.14816	0.6
267.13852	0.5
269.15265	0.9
295.16733	0.3
311.16263	0.6
313.17883	0.7
327.17392	0.3
329.18915	0.5
373.17709	0.3
373.21655	3.6
449.43405	0.2
552.16614	0.2
812.38757	0.3
1000.74371	0.3
1066.63708	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	1068.6461
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03904	1.7
79.05487	8.1
87.03912	0.2
87.04462	17.0
89.06023	59.5
90.06397	0.2
91.05472	16.7
91.07590	0.4
93.07031	1.9
95.04959	6.5
99.49818	0.2
101.62667	0.2
103.05459	10.0
104.06302	0.2
105.04557	2.4
105.07021	100.0
106.07384	0.5
107.04948	3.6
107.07061	1.5
113.06005	0.9
115.05416	1.4
115.07589	0.7
116.06232	0.9
117.07007	2.8
117.09117	3.5
119.04948	1.7
119.08566	7.0
121.06496	13.2
127.05476	0.2
128.06215	3.0
129.06990	4.4
130.08652	1.1
131.04895	0.4
131.07036	5.1
131.08566	10.4
131.27005	0.2
132.05684	1.5
133.08592	41.1
133.10190	1.0
135.08067	0.9
135.10112	0.2
145.06464	1.8
147.08034	54.8
148.08368	0.4
149.09605	11.4
151.09659	0.2
155.06044	0.7
157.10135	0.4
159.10117	0.6
161.09669	0.2
161.11699	1.1
163.07564	0.5
163.11163	0.6
165.06955	0.6
165.09093	0.7
166.07832	0.6
171.08047	0.4
173.09621	1.4
175.09659	3.5
175.11185	0.6
175.34721	0.2
177.11203	14.4
178.07813	0.3
179.08513	0.7
179.12711	0.4
181.10126	2.4
183.10176	0.3
191.08633	0.3
191.10674	0.7
192.09329	0.6
193.10486	0.3
193.12288	0.3
194.07312	0.3
201.11208	0.3
207.08049	0.3
207.11627	0.6
208.08827	1.0
209.13306	0.5
219.07957	0.2
219.12117	1.2
220.08806	0.3
221.09573	0.4
221.13872	2.6
222.10437	0.3
223.11166	3.0
223.15137	0.2
225.12718	25.8
226.13026	0.4
227.12697	0.3
235.14990	0.3
237.12831	0.4
239.14832	0.6
249.12723	4.7
251.14319	4.1
255.15913	0.4
265.16409	0.5
267.13751	0.8
269.15363	1.6
271.15320	0.4
275.96136	0.2
277.15897	0.3
283.17545	0.9
295.16940	0.7
299.18759	0.2
311.16437	0.8
313.17914	1.1
315.18005	0.4
323.18579	0.2
327.17062	1.0
329.18906	1.1
355.19742	0.2
373.21597	7.6
374.21756	0.2
401.23050	0.3
415.22235	0.3
417.23917	0.4
456.23941	0.2
801.85046	0.2
1051.60583	0.6
1068.65515	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	1068.6465
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03925	2.0
79.05492	8.3
79.27621	0.4
87.04466	18.6
89.06028	68.9
91.05476	18.6
91.07587	0.4
91.25270	0.4
93.07053	1.3
95.04971	7.8
98.22713	0.5
103.05460	9.8
105.04562	2.2
105.07026	100.0
106.07380	0.8
107.04973	2.8
107.07082	1.6
113.06011	1.1
115.05457	1.3
115.07565	1.1
116.06238	1.2
117.07018	3.3
117.09148	3.3
119.04944	1.5
119.08595	6.5
121.06507	12.5
128.06195	2.4
129.06995	5.0
130.08670	0.7
131.07065	5.7
131.08565	12.0
132.05702	1.4
133.08601	49.2
133.10176	1.7
135.08073	0.9
145.06494	2.0
147.08044	58.0
149.09610	11.5
157.08617	0.5
159.10126	0.8
161.11723	1.1
163.07576	0.5
165.06989	0.5
165.09096	1.1
166.07828	0.6
171.08072	0.6
173.09631	1.2
175.09680	3.9
175.11067	0.9
177.11215	16.3
178.07782	0.3
179.08694	0.5
181.10130	2.7
183.65465	0.4
184.01645	0.4
191.10699	0.9
193.12338	0.7
207.11656	0.7
208.08853	0.9
219.12303	1.1
221.09602	0.5
221.13809	3.1
223.11147	2.5
225.12737	30.8
233.37930	0.4
237.12849	0.7
239.14638	0.5
243.57877	0.5
249.12733	4.0
251.14265	4.4
265.16446	0.7
267.13782	1.1
269.15417	2.1
271.15405	0.6
295.16977	0.5
311.16324	1.0
313.14679	0.4
313.17908	0.9
327.17258	0.9
329.18954	0.7
339.19016	0.4
340.29407	0.4
359.21701	0.4
373.21643	9.9
374.22379	0.4
417.23877	0.5
426.27176	0.4
505.46533	0.4
1068.66040	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02372	3.1
53.03939	13.6
55.01860	5.0
65.03928	6.1
69.34577	5.7
69.34984	3.2
77.03918	9.7
79.05481	46.9
80.05006	5.4
87.60523	1.4
91.04886	1.9
91.05463	38.7
92.06281	1.8
95.04957	45.3
105.04494	13.4
105.07042	9.2
107.04942	100.0
107.06100	3.7
107.08568	9.5
108.04469	6.0
109.06506	4.3
119.06049	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03931	5.3
55.01829	1.9
65.03940	18.2
67.05489	7.6
71.42743	2.2
79.05486	69.6
80.05008	11.6
80.05800	2.9
91.05475	100.0
92.05753	2.6
92.06263	5.0
93.05786	11.0
95.04974	9.8
96.04472	1.7
105.04517	3.9
105.07026	25.5
107.04958	11.3
107.06075	4.9
107.08595	21.7
108.04459	8.0
108.08109	10.6
109.06509	13.8
110.07487	1.7
119.06083	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	1072.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03448	0.8
79.04221	0.2
79.05459	0.2
80.05014	4.9
81.07052	0.6
91.05472	0.5
93.07034	0.6
95.04975	0.8
95.08603	0.4
96.03867	0.3
96.04488	5.0
97.02853	0.3
97.06527	0.2
103.25391	0.2
105.03384	4.3
105.04472	0.3
105.07019	1.1
106.02896	1.0
107.08571	0.5
111.04443	0.3
111.08032	0.2
113.06007	0.2
119.08570	1.3
121.06493	0.2
121.10163	0.3
124.03946	100.0
125.04297	1.1
131.08562	0.5
133.10136	0.7
139.07538	0.2
140.03349	0.2
143.08562	0.4
145.10110	0.8
147.11650	1.0
149.09608	0.2
155.07008	0.2
156.09312	0.4
157.10146	0.8
159.11676	1.2
161.09586	0.3
161.13200	0.7
169.10062	0.4
170.10916	0.4
171.11681	0.9
173.13254	0.7
175.11218	0.2
175.14813	0.3
181.10109	0.4
183.11700	0.5
184.07626	0.3
184.12442	0.3
185.13211	0.8
186.13983	0.2
187.14832	0.3
193.10092	0.2
195.10228	0.2
195.11687	0.9
196.12410	0.2
197.13283	0.4
199.14838	1.0
203.14279	0.9
207.11798	0.3
208.12459	0.2
209.13289	0.7
211.14796	0.5
213.12724	0.2
213.16388	0.2
222.14061	0.3
223.14801	0.2
228.06558	0.7
235.14960	0.2
237.16400	0.9
251.18004	0.3
255.17441	0.3
273.18518	0.2
279.17450	0.2
285.18283	0.2
287.19647	0.2
297.18469	0.9
315.19519	5.3
438.22827	0.2
558.25012	0.5
559.24988	0.9
560.26379	57.6
561.26715	1.3
582.24915	0.4
816.38049	0.2
1073.77063	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	1078.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05483	2.0
81.03410	27.8
81.07045	2.1
81.69590	0.8
83.01330	0.8
83.04986	1.0
83.08619	1.3
83.62867	0.7
85.02899	100.0
87.00823	45.4
87.04485	1.1
91.03954	2.3
91.05465	2.8
93.07047	3.2
95.08599	5.4
97.02884	48.0
98.22717	2.4
99.04449	14.4
103.03922	1.2
105.01859	80.4
105.07045	4.3
107.08574	6.1
109.02869	42.7
109.03643	1.3
109.10165	4.3
115.03935	1.0
117.01833	3.1
119.08575	7.2
121.10135	6.2
123.11673	0.9
125.02369	1.3
126.23953	0.7
127.03905	92.0
129.01819	3.4
131.08568	3.3
133.10118	7.7
135.08046	0.9
135.11711	2.5
145.04945	29.1
145.10121	6.5
147.02890	2.4
147.04440	0.8
147.11667	4.5
149.13231	2.6
151.03816	0.7
157.10043	1.0
159.02869	15.4
159.11696	6.4
161.13181	3.3
163.11143	2.3
163.14769	2.7
167.07036	0.9
171.02846	1.2
171.11586	0.8
172.12492	0.8
173.04428	0.7
173.13219	2.4
175.14825	4.1
177.16364	5.0
185.13322	0.9
187.14792	10.8
189.03856	3.1
189.16409	6.2
191.17917	3.0
199.14801	1.5
201.16359	22.2
203.17958	10.2
205.13892	1.2
205.15865	21.9
207.17415	2.1
213.03920	15.9
213.16357	2.0
215.17902	1.3
219.17421	1.9
223.16917	11.2
227.17931	1.3
231.04977	54.0
247.16911	6.1
249.06035	31.8
253.07050	5.0
271.08145	4.6
357.07932	3.1
375.09186	4.5
393.10229	9.7
407.27997	1.0
407.33023	11.4
409.34366	2.6
411.11346	4.0
425.34155	6.4
427.35608	1.9
435.32556	3.4
453.33591	8.5
471.34799	4.1
590.18585	1.7
610.97632	0.8
853.85773	1.0
1072.53406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.6406
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03919	1.5
79.05486	7.2
87.04459	100.0
88.04797	0.4
89.06021	5.0
91.05473	3.3
93.07028	0.4
95.04965	5.0
103.05462	6.8
105.04558	1.8
105.07019	90.7
106.07368	0.4
107.04944	0.3
113.05968	0.4
115.05466	0.4
117.06979	0.4
117.09110	1.1
119.08566	0.5
121.06502	2.1
128.06227	0.4
129.07004	1.0
131.07033	3.0
131.08542	5.0
133.08582	2.7
133.10092	0.4
145.06461	0.3
147.08031	2.2
149.09563	0.6
161.11728	0.4
165.06998	0.3
166.07791	0.4
173.09682	0.6
175.09599	0.8
177.11208	1.2
177.51476	0.2
181.10081	0.4
219.12286	3.6
223.11137	0.8
225.12700	4.8
235.14862	0.3
249.12714	0.3
251.14294	12.6
252.14316	0.3
253.15930	2.3
263.14847	0.8
269.15198	0.8
276.92273	0.3
295.08221	0.3
295.16711	0.4
310.54520	0.3
327.17349	1.6
329.18942	8.5
330.18939	0.4
355.20474	0.5
371.19870	0.5
371.24673	0.2
373.21533	1.9
403.41748	0.2
417.23590	0.3
477.22626	0.2
477.27921	2.8
534.11420	0.3
1082.64124	4.4
1083.60767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.6622
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03928	1.8
78.04707	0.5
79.05486	8.4
81.07045	0.5
84.05990	0.4
84.81091	0.4
87.04468	6.5
89.06023	14.7
91.05473	18.7
93.07036	1.7
95.04969	6.6
103.05460	9.8
103.07574	49.1
103.65009	0.4
105.04544	2.5
105.07022	100.0
106.07352	0.7
107.04948	3.6
113.06026	1.3
115.05450	1.3
115.07587	0.6
116.06242	1.5
117.07022	2.6
117.09124	4.9
119.04929	1.8
119.08572	6.8
121.05627	0.7
121.06492	11.2
121.07332	0.8
128.06230	3.2
129.07004	5.3
131.07028	1.9
131.07573	0.5
131.08559	9.3
132.05698	1.6
132.68306	0.5
133.06514	0.7
133.08597	10.4
133.10141	1.1
135.08006	0.9
145.06470	1.4
147.08046	52.0
147.10112	21.4
148.08475	0.4
149.09607	10.7
157.08685	0.5
159.10185	0.6
161.11737	1.6
162.79149	0.5
163.11157	0.5
165.09094	0.9
173.09604	1.7
175.09758	0.8
175.11118	0.8
177.11205	3.9
179.08588	0.8
181.10088	2.7
191.10635	0.4
191.12776	1.2
207.11862	0.5
208.08792	1.0
209.13318	0.5
221.13678	0.8
222.10458	0.5
223.11180	2.0
225.12730	25.4
235.14932	0.7
249.12755	4.6
251.14355	3.0
267.13763	1.0
269.15250	1.1
311.16364	1.1
313.17871	0.9
327.17413	1.3
329.19009	0.8
373.21649	7.8
444.67377	0.5
445.25201	0.4
508.32294	0.4
1082.43909	0.9
1082.66028	12.7
1083.65747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.6621
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03920	2.2
78.36298	0.3
79.05047	0.5
79.05487	9.5
84.22949	0.3
87.04464	6.2
89.06023	17.2
91.05475	18.8
93.07036	1.4
95.04964	7.4
102.04706	0.4
103.05467	10.4
103.07572	57.2
104.06264	0.4
104.07878	0.5
105.04554	2.2
105.07021	100.0
106.07337	0.7
107.04935	3.1
113.06000	1.5
115.05457	1.1
115.07565	0.9
116.06228	1.2
117.07039	3.0
117.09118	5.6
119.04930	1.4
119.08572	6.3
121.06496	11.2
128.06204	3.0
129.06984	5.1
131.07069	2.6
131.08546	10.6
131.18993	0.4
132.05685	1.7
133.06519	0.9
133.08592	11.5
133.10144	1.3
135.08029	0.6
145.06454	2.0
147.08044	53.7
147.10112	24.6
148.08430	0.7
149.09616	11.0
155.06021	0.6
157.10162	0.5
159.10202	0.4
161.11726	2.3
163.07509	0.5
163.11171	0.6
165.06999	0.7
165.09079	0.5
166.07820	0.8
173.09642	1.4
175.09659	2.2
175.11134	0.7
177.11186	4.3
179.08612	0.9
181.10132	2.1
191.10666	0.9
191.12779	0.9
192.09233	0.5
193.12230	0.6
201.11244	0.4
207.11656	0.7
208.08926	0.9
219.12123	0.5
221.09641	0.5
221.13902	0.9
223.11176	2.7
225.12724	28.9
229.41531	0.4
237.12814	0.8
249.12750	4.4
251.14348	4.5
267.13892	1.0
269.15396	1.9
277.16098	0.5
293.18222	0.4
295.16962	0.8
311.16611	0.9
313.18103	1.3
315.17963	0.6
327.17599	1.3
329.19067	0.9
373.21609	8.0
396.57654	0.4
465.80847	0.4
521.67303	0.4
1082.66309	12.3
1083.66614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.6564
Annotation	Unknow
Peak:m/z	Relative Intensity
76.49638	0.1
77.03918	1.3
79.05488	7.2
87.03905	0.2
87.04462	8.7
89.06026	34.3
91.05473	4.2
91.06049	0.2
91.07581	0.2
93.07050	0.4
95.04964	5.7
98.23445	0.3
103.05463	7.5
105.04592	1.7
105.07022	100.0
106.07357	0.9
107.04929	0.2
107.07046	0.9
112.48030	0.1
113.06030	0.5
115.05444	0.4
115.07585	0.3
116.06240	0.5
117.06999	0.5
117.09126	1.9
119.04927	0.3
119.08566	0.7
121.06497	2.1
121.07323	0.2
128.06245	0.4
129.06993	1.4
130.08591	0.6
131.07062	2.5
131.08557	6.2
133.08595	27.2
133.10196	0.7
135.08061	0.2
135.10092	0.2
137.58469	0.1
141.06949	0.2
143.08582	0.2
145.06467	0.5
147.08031	2.2
149.09573	0.7
151.09602	0.1
153.06969	0.1
155.08601	0.2
157.08643	0.3
157.10109	0.2
159.10176	0.3
161.11740	0.7
165.06989	0.3
165.09094	0.5
166.07782	0.3
169.10068	0.2
173.09607	0.5
175.09669	2.3
175.11099	0.2
177.11203	9.5
178.07803	0.3
179.08501	0.2
179.12811	0.2
181.10095	0.7
191.10695	0.4
192.09338	0.3
193.10481	0.2
193.12270	0.2
195.08336	0.2
195.12093	0.1
202.07851	0.1
203.08530	0.2
207.08044	0.2
207.11710	0.2
208.08838	0.1
209.09648	0.1
209.11580	0.2
209.13284	0.3
211.13167	0.1
219.12251	0.6
221.09662	0.2
221.13818	1.7
223.11131	1.1
223.15015	0.3
225.12723	5.1
227.12769	0.4
235.15074	0.5
237.12775	0.2
237.61800	0.1
239.14761	0.5
249.12831	0.7
251.14302	12.5
252.14648	0.2
253.15929	3.6
255.11015	0.1
255.15906	0.2
265.16431	0.3
267.13779	0.6
267.17740	0.3
269.15314	1.1
271.15350	0.2
283.17560	0.6
295.16916	0.7
307.17511	0.1
309.19006	0.4
311.16406	0.8
311.20169	0.2
313.17917	1.0
315.17844	0.3
327.17377	2.8
327.21069	0.2
329.18970	13.1
330.19168	0.3
353.18408	0.9
355.20200	0.5
357.20413	0.3
371.19965	1.0
373.21616	3.9
375.21667	0.2
397.24701	0.1
399.22165	0.1
401.23361	0.2
404.43979	0.1
415.22629	0.3
417.24078	0.3
419.24286	0.3
431.23410	0.2
433.25171	0.3
441.26923	0.2
463.26840	0.3
477.27869	5.5
477.34769	0.3
593.34436	0.1
859.49109	0.2
963.56763	0.2
1067.60803	0.4
1084.65747	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.6571
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03924	1.6
79.05486	6.6
82.25001	0.2
86.21425	0.2
87.04465	9.7
89.06027	38.0
90.06375	0.2
91.05471	3.7
91.06052	0.3
93.07063	0.2
95.04967	4.7
98.22733	0.2
103.04767	0.3
103.05460	6.9
105.04578	1.7
105.07025	100.0
106.07372	0.5
107.04956	0.3
107.07073	0.7
113.06000	0.7
115.05438	0.4
115.07580	0.4
116.06237	0.4
117.07005	0.6
117.09116	1.8
119.04939	0.3
119.08572	0.8
121.06495	2.9
128.06163	0.4
129.07014	1.2
130.08638	0.4
131.07059	2.9
131.08559	7.1
133.08598	28.9
134.08937	0.3
135.10101	0.3
145.06523	0.3
147.08035	2.2
149.09613	0.8
153.06992	0.2
157.08691	0.2
159.10197	0.4
161.11731	0.6
165.06987	0.5
165.09163	0.5
166.07788	0.5
173.09621	0.7
175.09685	2.5
175.11113	0.3
177.11212	10.4
178.07774	0.2
179.08524	0.3
181.10136	0.7
183.10164	0.2
191.10713	0.4
192.09380	0.2
207.11774	0.4
209.11569	0.2
209.13329	0.3
211.13293	0.2
219.12277	0.5
221.13821	2.0
223.11147	1.0
223.15353	0.4
225.12715	6.0
227.12788	0.7
235.14915	0.3
237.13094	0.3
239.14769	0.4
249.12689	1.0
251.14313	13.2
253.15900	4.0
255.16032	0.3
265.16376	0.6
267.13730	0.6
267.17596	0.2
269.15305	1.5
270.15939	0.2
271.15268	0.4
277.15704	0.3
280.91455	0.2
283.17258	0.4
295.16922	0.4
309.19147	0.3
311.16455	0.7
313.18011	1.1
315.18015	0.2
327.17337	3.0
327.20645	0.3
329.18970	14.8
333.37332	0.2
339.19745	0.3
350.02417	0.2
353.18582	0.5
355.20389	0.6
371.19983	0.7
373.21609	4.6
401.22964	0.2
417.24649	0.2
419.24103	0.3
422.06558	0.2
431.23474	0.3
463.26752	0.4
477.27887	6.5
478.28033	0.3
485.29300	0.2
614.39990	0.2
738.08270	0.2
859.49652	0.2
909.54163	0.2
963.56647	0.5
1067.60986	0.6
1084.66003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.5909
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03938	1.7
78.99511	2.6
79.05487	8.0
87.04462	7.9
89.06025	18.8
91.05476	16.0
93.07048	1.2
95.04958	6.4
98.22775	0.8
103.05463	9.7
103.07556	3.5
105.04554	2.4
105.07021	100.0
106.07358	0.5
107.04942	3.4
113.00017	5.6
113.06002	2.0
115.05464	1.1
115.07565	2.2
116.06252	1.0
117.07011	3.6
117.09122	4.6
119.04919	0.7
119.08585	6.3
121.06499	12.5
121.07325	0.9
125.00014	0.7
127.01557	47.9
128.06184	2.7
129.06993	4.4
131.04948	0.7
131.07056	2.1
131.07597	0.5
131.08554	10.3
132.05707	1.4
133.06482	0.6
133.08598	13.4
133.10147	1.5
135.08043	0.7
139.01546	17.1
145.06473	1.7
147.08037	53.8
147.10115	3.2
149.09608	11.3
153.03105	57.3
155.06001	0.6
159.10147	1.7
161.11729	1.2
165.06990	0.7
165.09087	0.7
165.96251	0.4
166.07721	0.5
172.79707	0.4
173.09592	1.7
175.09695	1.1
175.11263	0.7
177.11215	4.1
179.08476	0.6
181.10075	2.6
183.04193	6.5
193.12286	0.5
197.05725	32.0
203.12692	0.5
207.11714	0.6
208.08905	0.6
209.11528	0.6
221.13875	0.6
222.10423	0.6
223.11160	4.0
225.12726	31.0
227.06786	4.0
241.08348	8.8
249.12727	6.7
251.14384	4.3
259.09406	0.6
267.13934	0.7
269.15320	1.7
271.09421	3.5
277.15906	0.4
285.10965	2.9
295.16959	0.6
299.18484	0.5
303.11896	1.1
311.16412	0.8
313.17801	1.0
315.12085	2.2
327.17300	1.0
329.13626	1.0
329.19122	1.2
347.14600	0.9
359.14481	1.4
373.16559	0.7
373.21512	7.4
377.10013	0.5
391.17294	0.6
403.17120	1.0
415.22626	0.8
428.38330	0.4
447.19528	0.7
491.22781	0.5
679.17065	0.5
718.03766	0.4
811.73761	0.5
966.49786	0.5
967.48700	0.5
1071.55225	1.3
1075.79297	0.5
1088.49182	0.5
1111.07935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.6111
Annotation	Unknow
Peak:m/z	Relative Intensity
81.53123	0.6
83.01125	1.8
89.06055	2.9
91.05527	0.8
91.86314	0.7
97.02691	0.8
105.07014	8.8
106.07349	3.3
111.04202	6.1
112.04989	1.0
112.11942	0.6
119.49361	0.6
124.49220	0.7
127.03672	3.3
133.08684	2.2
134.08961	0.9
139.07381	1.8
141.05280	1.9
142.06177	0.7
155.06769	5.2
169.08392	1.3
171.06337	4.2
177.11107	0.7
183.09882	1.5
185.07918	1.5
188.06570	0.6
193.10361	0.7
199.09412	7.0
213.11148	1.1
214.11661	0.8
215.09000	2.1
216.09688	1.1
225.12904	0.9
227.12750	2.1
229.10416	1.0
230.11374	1.2
243.12024	4.0
251.14529	0.7
257.13596	1.4
259.11694	1.9
271.15109	4.9
273.13205	1.0
287.14597	5.5
301.16495	0.8
303.14426	1.3
315.17969	2.4
331.17102	3.3
347.16876	1.9
370.06433	0.7
375.19781	4.3
391.19620	2.3
419.22757	2.9
435.22318	2.5
463.25143	6.3
479.24756	3.1
498.42719	0.7
507.28018	2.1
517.97925	0.7
523.27490	2.9
551.30231	5.0
567.30066	1.9
595.33575	1.8
611.33026	3.0
639.35608	5.6
643.40369	0.7
655.35034	4.6
930.49518	0.8
1040.71082	0.7
1089.61072	100.0
1090.60852	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	109.0049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	63.9
54.04269	5.2
55.01864	6.0
55.05497	8.7
57.40144	5.0
65.03936	10.2
67.04256	10.4
67.05151	8.6
67.05499	94.3
67.46141	4.1
69.70822	4.8
71.04331	6.6
77.22570	4.3
78.99503	55.2
79.05497	26.7
81.03413	100.0
81.05329	11.1
81.07055	47.3
82.06585	42.4
83.83438	4.3
91.05499	11.6
94.04178	8.1
94.27245	4.6
98.23404	4.9
98.63646	4.3
109.02889	27.0
109.04807	10.7
109.06514	33.7
109.07632	50.2
109.09465	6.0
109.10134	35.6
110.06026	98.0
119.86691	4.5
124.67239	4.5
127.01562	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03945	1.6
53.93141	0.4
55.05509	10.6
65.03936	3.6
67.05501	100.0
68.05840	1.2
69.07068	5.1
79.05491	9.8
80.06277	1.2
81.03409	1.1
81.07053	30.9
82.06573	0.6
82.07386	0.7
91.05466	1.3
94.07817	1.2
95.04992	0.5
107.08607	2.8
109.06523	2.5
109.07668	3.1
109.10150	38.0
110.06042	5.1
110.10464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03941	3.3
54.49660	0.3
55.05509	10.6
60.87458	0.3
65.03938	5.3
67.05501	100.0
68.05840	1.4
69.07066	5.6
69.44217	1.3
77.03940	0.4
79.05486	8.5
80.06267	1.5
81.03407	3.4
81.07052	28.4
82.06583	0.9
82.07381	0.7
91.05473	1.0
94.07820	0.8
105.07033	0.5
107.08588	3.4
109.02876	1.4
109.06515	2.0
109.07654	2.5
109.10149	35.4
110.06042	5.1
110.10482	0.8
118.53687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
52.92867	0.3
53.03951	4.4
55.05508	11.4
62.90586	0.4
65.03936	4.8
67.05501	100.0
68.05836	1.4
69.07060	6.2
79.05489	9.3
80.06276	1.2
81.03419	4.6
81.07053	32.2
82.06577	0.8
82.07388	0.6
89.47112	0.4
91.05469	1.3
92.05014	0.4
94.04185	0.6
94.07815	1.4
95.04935	0.5
107.08607	3.6
109.02863	2.0
109.06526	3.2
109.07655	2.9
109.10149	40.7
110.06037	6.4
110.10484	1.4
120.77056	0.4
125.78367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03931	2.5
53.92633	0.5
55.05508	8.3
60.59441	0.7
65.03942	5.2
66.04723	0.5
67.05501	100.0
68.05833	1.1
69.07065	5.6
75.94452	0.5
78.96660	0.5
79.05486	9.4
80.06293	1.2
81.03442	2.4
81.07053	31.1
82.06568	2.0
91.05463	1.3
92.04994	0.5
94.04189	0.8
94.07812	1.0
95.05002	0.6
105.07072	0.7
107.08607	3.7
109.02878	0.9
109.06527	4.3
109.07638	6.1
109.10151	35.6
110.06040	12.2
110.10458	1.4
124.35534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.516
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03435	0.8
79.04224	0.1
79.05472	0.1
80.05009	5.0
81.07034	0.2
91.05476	0.3
93.07021	0.2
95.04964	0.4
95.08584	0.2
96.04482	5.2
98.23529	0.2
105.03378	1.4
105.04478	0.1
105.06990	0.5
106.02905	1.0
107.08585	0.3
109.06519	0.2
109.10110	0.2
115.05415	0.1
119.04899	0.1
119.08574	0.8
121.06485	0.1
121.10105	0.2
123.08078	0.1
124.03939	100.0
125.04265	0.3
129.06960	0.2
131.08562	0.3
133.09180	0.1
133.10135	0.4
136.66971	0.1
140.03372	0.2
142.07834	0.1
143.08580	0.4
145.10117	0.3
147.08080	0.1
147.11662	0.6
155.08481	0.2
156.09300	0.2
157.10143	0.4
158.10837	0.3
159.11653	0.3
161.09595	0.4
161.13255	0.3
167.08580	0.1
169.10133	0.4
170.10889	0.1
171.11626	0.2
172.12444	0.2
173.13135	0.2
176.12006	0.3
176.15604	0.1
181.10199	0.1
182.10852	0.1
183.11679	0.4
184.07526	0.2
185.13187	0.2
193.10141	0.2
194.10889	0.1
195.11656	0.2
196.12492	0.1
197.09573	0.1
201.09158	0.1
203.14305	0.2
207.11641	0.2
209.13319	0.3
211.11188	0.1
211.14839	0.1
213.09042	0.1
215.10742	0.1
220.12575	0.1
221.13298	0.2
225.16479	0.2
228.06602	0.2
231.10226	0.1
235.14766	0.1
239.10606	0.1
244.49884	0.1
249.16440	0.2
251.17906	0.2
253.11949	0.1
253.15926	0.2
255.13783	0.2
267.17493	0.2
271.16843	0.6
277.15854	0.1
295.16867	1.5
313.17932	1.6
459.38834	0.1
558.24811	36.7
559.25085	0.5
599.26971	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	1090.6575
Annotation	Unknow
Peak:m/z	Relative Intensity
78.09317	0.3
87.04460	100.0
88.84441	0.3
89.06022	32.7
91.05475	0.3
98.23475	0.3
107.07078	0.7
112.99969	0.3
113.06007	1.1
115.07559	0.8
117.09121	2.8
121.02842	0.4
127.01559	3.3
128.01855	0.3
128.52823	0.3
130.08568	0.4
131.07034	6.0
133.08592	20.6
139.01572	1.2
147.04407	0.4
153.03113	2.7
154.03461	0.5
157.08504	0.3
159.10190	0.6
161.11731	0.8
169.71092	0.3
175.09660	2.8
177.11212	6.7
183.04236	0.3
193.10751	0.4
197.05774	1.2
219.12231	4.6
221.13843	1.1
241.08331	0.4
263.14862	1.0
265.16354	0.3
271.09723	0.3
276.00079	0.3
283.17563	0.3
283.43768	0.3
287.05557	0.3
313.24118	0.3
353.21484	0.3
387.19498	0.3
553.21698	0.3
561.39703	0.3
694.68475	0.3
829.84698	0.3
905.76654	0.3
1090.66162	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	1092.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05518	0.2
81.03407	0.6
83.04985	0.5
85.02898	11.3
87.04464	0.8
89.03907	3.6
89.06029	1.5
91.05474	0.4
97.02889	4.9
99.04456	0.7
103.05442	0.2
109.02885	0.6
111.04448	0.5
111.11722	0.6
115.03912	0.9
117.03373	9.2
121.06514	0.3
127.03877	1.4
129.05472	2.7
133.04961	0.6
133.08575	0.8
134.03659	0.4
135.04419	0.6
137.05974	0.7
145.02840	33.1
145.04927	1.3
146.03253	0.3
147.04405	0.2
147.06479	1.3
148.91895	0.2
149.05966	3.5
151.07549	0.5
158.05779	0.2
163.03960	0.4
163.06036	0.6
163.07544	0.1
165.09187	0.3
175.07536	0.2
177.05457	100.0
178.05836	0.5
179.07014	0.6
180.00415	0.2
185.71747	0.2
186.05502	0.3
189.05438	0.2
193.08662	0.2
195.06537	2.1
198.07353	0.2
203.07124	0.2
205.04950	0.2
223.06050	0.2
241.07031	0.2
243.15793	0.2
259.08142	0.6
261.11307	0.3
272.31323	0.2
277.10739	0.2
279.08710	0.2
287.09100	0.9
295.10147	0.8
305.10196	1.0
321.09702	0.9
323.11252	3.6
333.23026	0.2
339.10727	31.0
340.11188	0.3
345.13031	0.2
358.86865	0.2
440.25034	0.3
449.14218	0.3
467.15598	0.2
485.16400	1.9
489.17212	0.2
495.18304	0.2
507.18842	0.2
544.81964	0.2
759.48651	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	1092.6733
Annotation	Unknow
Peak:m/z	Relative Intensity
85.80997	0.2
87.03903	0.6
87.04459	31.8
89.06020	100.0
91.07565	0.6
95.04948	0.8
97.06496	0.3
107.07069	2.0
110.82456	0.3
113.05991	3.0
115.07549	1.2
117.09116	3.9
130.08601	0.7
131.07027	8.6
133.08589	69.9
135.10120	0.4
139.07570	0.4
145.02782	0.3
151.09573	0.4
157.08585	0.7
159.10117	1.5
161.11794	1.3
175.09645	5.7
177.05440	0.8
177.11197	22.5
179.12799	0.4
193.10785	0.3
201.05394	0.4
201.11201	0.6
203.12886	0.3
209.08006	0.4
219.12260	2.6
221.13805	4.0
223.15414	0.7
239.14871	0.7
265.16483	0.6
267.18008	0.3
283.17459	1.1
309.19022	1.0
325.72665	0.3
327.19913	0.5
352.92142	0.3
353.21756	0.6
397.24045	0.4
441.27106	0.6
486.85886	0.3
971.93274	0.3
1075.63452	0.6
1092.67017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03442	1.7
79.04207	0.2
79.05479	0.4
80.05011	5.3
81.07038	0.4
87.04511	0.1
90.16749	0.1
91.05476	0.5
93.07022	0.4
95.04949	0.2
95.08609	0.9
95.93771	0.1
96.04487	5.6
97.10158	0.1
105.03381	0.2
105.07021	0.8
106.02911	3.9
107.08575	0.5
109.10134	0.1
111.04464	0.2
111.14343	0.1
117.77101	0.1
119.06037	0.1
119.08571	1.7
121.10126	0.2
124.03945	100.0
125.04269	0.7
131.08588	0.4
133.10121	1.8
140.03410	0.3
141.06940	0.1
143.08522	0.3
145.10133	0.7
147.11673	0.9
155.08583	0.3
157.10121	0.7
158.10898	0.1
159.11707	0.9
161.09546	0.1
161.13220	0.5
163.07686	0.1
167.08475	0.2
169.10059	0.3
171.11685	0.4
173.13269	0.5
181.10130	0.1
183.11702	0.5
184.07471	0.1
185.13280	0.4
187.11307	0.1
187.14828	0.2
189.16391	0.2
195.11607	0.2
197.13260	0.5
199.11169	0.2
199.14856	0.4
201.16464	0.4
202.17374	0.1
205.12216	0.3
211.14864	0.3
217.12262	0.2
224.15468	0.1
225.12756	0.2
225.16185	0.1
229.12260	0.2
239.14375	0.2
239.17966	0.3
243.13881	0.2
253.19514	0.4
281.19028	0.3
295.16928	0.3
299.20050	2.2
304.93564	0.1
313.17810	0.3
417.34348	0.1
422.23337	1.3
538.27966	40.5
539.28302	1.0
558.24829	6.2
559.25073	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	1096.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03448	0.6
79.04205	0.1
79.05497	0.1
80.05012	5.5
81.07047	0.1
91.05461	0.1
93.07040	0.1
95.04957	0.2
95.08601	0.1
96.04485	4.9
105.03378	0.4
105.07032	0.1
106.02896	0.2
107.08639	0.1
119.08567	0.5
124.03941	100.0
125.04263	0.5
131.08536	0.1
133.10141	0.1
140.03391	0.3
145.10133	0.1
157.10118	0.2
159.11700	0.1
169.10187	0.1
170.10844	0.1
171.11688	0.2
173.13268	0.2
181.10071	0.1
183.11655	0.1
185.13249	0.1
195.29332	0.1
197.13319	0.1
209.13298	0.1
210.42572	0.1
220.12453	0.1
235.14767	0.1
286.07339	0.1
295.16919	0.1
313.17844	0.5
330.05103	0.1
331.18951	0.1
454.22089	0.2
576.25861	39.8
577.26068	0.7
822.45239	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	1097.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03444	2.5
79.05485	2.7
80.05003	3.6
81.03416	4.6
81.07048	4.8
83.04976	6.3
83.08607	0.5
85.02902	0.5
87.04471	0.8
87.21760	0.2
89.06036	2.4
91.05466	4.1
93.07032	4.0
95.04951	2.1
95.08595	4.6
96.04487	4.1
98.23434	0.6
103.05464	0.5
105.07017	7.8
106.02904	4.5
106.60799	0.3
107.08585	3.1
109.06505	1.0
109.10140	1.7
111.04435	10.4
111.08089	0.4
113.05977	1.1
115.05479	0.5
117.07014	2.5
119.04859	0.3
119.08566	6.0
121.06491	3.2
121.10143	2.9
123.08077	0.6
123.11683	0.4
124.03940	100.0
125.04250	1.8
128.06210	1.1
129.07018	2.0
130.07794	0.4
131.07005	0.5
131.08551	5.0
133.06512	0.5
133.08620	1.8
133.10118	3.7
133.30119	0.3
135.08057	0.7
135.11705	0.8
141.06981	1.5
142.07767	1.7
143.08559	3.7
144.09328	0.8
145.06425	0.4
145.10101	8.1
147.08057	1.5
147.11655	2.4
149.09598	1.1
149.13187	0.3
153.06969	0.5
154.07706	0.5
155.08534	2.3
156.09265	1.3
157.10104	4.7
158.10838	0.6
159.07996	0.6
159.11687	6.2
161.09624	0.9
161.13219	2.0
163.11142	0.5
165.06964	0.9
165.09036	0.3
166.07764	0.5
167.08586	1.3
168.09305	0.8
169.10120	3.8
170.10912	0.9
171.08035	0.7
171.11659	3.6
172.12378	0.8
173.09625	1.2
173.13213	2.0
175.11177	1.0
175.14839	1.2
177.11243	0.3
177.16339	1.8
179.08542	1.3
180.09306	0.4
181.10130	2.4
182.10916	1.4
183.11682	2.5
184.12427	0.3
185.09653	0.5
185.13234	2.6
187.11192	1.4
187.14809	11.2
189.12762	1.1
192.09358	0.4
193.10121	1.1
194.10863	0.8
195.11633	2.9
196.12477	0.8
197.09538	0.5
197.13263	2.8
199.11179	1.0
199.14784	1.8
201.12666	0.8
201.16394	1.0
203.14301	1.4
205.10207	0.5
205.15860	13.1
207.11678	1.4
209.13315	1.8
210.13902	0.4
211.11293	0.4
211.14789	2.6
213.12727	0.8
213.16377	1.0
215.14299	2.9
217.15930	0.4
219.11638	0.4
220.12434	0.7
221.13225	1.0
222.13983	0.7
223.11151	0.6
223.14786	1.2
225.16374	1.7
227.14296	0.8
229.15828	1.9
233.13127	0.6
233.15277	0.4
235.14839	1.4
237.12703	0.7
237.16269	0.6
241.19516	1.0
249.16391	0.4
251.14188	0.5
251.17979	2.7
253.15855	2.0
261.16318	0.7
267.17389	0.7
269.15643	0.6
269.18961	3.7
279.17477	4.2
285.18478	0.4
287.20096	0.3
297.18484	9.1
310.17859	0.5
315.19537	3.7
326.17422	1.2
328.19046	10.0
328.22937	0.5
420.21729	1.7
438.22723	6.9
496.23459	0.5
497.23553	0.4
498.24817	8.3
547.53174	0.3
600.27759	1.2
601.28082	0.9
602.28436	0.5
619.26831	1.5
1097.45337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1098.6722
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03917	1.3
79.05486	6.1
87.04457	4.5
89.06021	10.7
91.05469	3.6
93.07043	0.3
95.04959	4.5
103.05466	5.9
103.07569	53.5
104.07910	0.4
105.04594	1.7
105.07016	100.0
106.07333	0.9
107.04932	0.2
107.07028	0.2
113.06013	0.8
115.05412	0.2
115.07568	0.6
115.86223	0.1
116.06196	0.2
117.07009	0.5
117.09116	5.3
118.06512	0.1
119.04926	0.2
119.08569	0.6
121.06493	2.4
121.08616	0.3
128.06210	0.5
129.06999	1.3
130.07745	0.1
130.08595	0.2
131.07080	1.5
131.08551	9.5
133.08588	10.1
133.10056	1.0
135.10091	0.2
143.08580	0.1
145.06462	0.4
147.08076	2.6
147.10141	26.0
149.09610	1.0
155.08484	0.1
157.08644	0.3
157.10155	0.3
159.10118	0.7
159.11307	0.1
161.09688	0.1
161.11708	1.9
161.12944	0.1
161.64542	0.1
163.07515	0.1
165.06996	0.5
165.09064	0.6
165.11195	0.3
166.07741	0.3
167.08681	0.1
169.10197	0.2
173.09633	0.6
175.09668	1.1
175.11116	0.2
177.11197	3.9
178.07790	0.2
179.08580	0.3
181.10110	0.7
183.10193	0.2
191.10684	0.5
191.12784	1.6
192.09250	0.1
193.10265	0.2
193.12274	0.3
197.09612	0.1
203.08780	0.2
203.12750	0.2
207.11752	0.2
208.08864	0.2
209.09692	0.2
209.11600	0.3
209.13484	0.6
211.13287	0.2
219.12206	0.4
221.09555	0.2
221.13795	0.8
223.11139	1.4
223.15254	0.2
225.12715	8.2
226.13144	0.3
226.46841	0.1
227.12814	0.7
235.15033	1.0
237.12654	0.2
239.14496	0.3
249.12669	0.9
251.14284	15.7
252.14792	0.3
253.15926	5.3
254.16272	0.1
255.15958	0.3
265.16431	0.2
267.13809	1.0
267.17560	0.2
269.15378	1.9
271.15463	0.5
277.15921	0.2
283.17542	0.3
293.15155	0.2
295.16928	1.0
297.18808	0.4
299.18484	0.2
302.89658	0.1
309.19012	0.2
311.16370	0.9
313.17993	1.4
315.17929	0.4
327.17392	4.0
327.21182	0.2
329.18954	23.7
330.19290	0.7
339.19485	0.3
353.18784	1.1
355.20560	1.1
357.20633	0.5
371.19974	1.3
373.21588	6.2
374.22025	0.3
375.21786	0.4
385.24329	0.2
393.46158	0.1
401.23041	0.2
415.22852	0.4
417.24292	0.4
419.24319	0.4
431.23825	0.4
433.25220	0.4
445.26010	0.1
461.26669	0.2
463.26981	0.3
477.27835	8.9
478.28336	0.4
505.29694	0.2
521.31030	0.2
549.32446	0.3
565.32745	0.1
599.87457	0.1
977.57770	0.3
1081.63171	0.2
1098.67139	12.7
1099.67468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.329
Annotation	Unknow
Peak:m/z	Relative Intensity
77.70406	0.1
85.02912	0.2
95.01353	0.1
95.04967	0.1
103.05462	0.8
105.03386	0.5
105.04500	0.1
113.02342	0.1
115.05401	0.2
117.03355	0.1
123.00768	0.3
124.11501	0.1
129.03331	0.3
133.02815	0.1
141.01772	0.1
141.06943	0.2
145.02797	0.3
151.03871	0.2
168.00505	0.1
169.01314	2.0
169.04990	0.1
169.06400	0.1
173.05969	0.2
175.19458	0.1
177.03951	0.1
177.05475	1.3
197.05980	0.1
201.05406	0.1
215.06963	0.2
225.05408	0.2
247.27002	0.1
253.04967	0.3
270.05075	0.2
271.05991	100.0
272.06323	1.8
301.07111	0.7
339.10623	0.2
367.05850	0.2
447.09210	16.1
448.09686	0.5
563.14331	0.1
569.06885	0.1
675.22534	0.1
676.22345	0.2
677.23486	0.2
740.50293	0.1
953.19141	0.1
989.61072	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	1102.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03429	3.9
83.04980	17.6
85.02901	100.0
87.04491	2.9
91.05480	5.7
94.99686	1.4
95.04966	3.4
97.02889	27.3
97.06481	2.1
98.03789	1.6
99.04434	3.4
101.06077	1.5
103.03951	3.9
105.07061	1.4
107.04947	2.5
111.04437	18.6
113.06038	2.2
115.03929	28.8
119.04948	4.1
121.06477	2.2
127.03902	4.9
129.05478	40.6
129.06932	2.0
131.04953	1.6
133.04984	9.8
139.03918	9.2
145.04971	2.5
147.06503	29.2
149.04410	2.4
149.06026	1.7
151.03877	2.6
151.07544	44.5
152.05682	4.3
157.05026	3.2
157.06416	1.9
163.06007	1.6
163.07507	4.5
165.05447	1.4
165.07701	2.7
165.09091	8.9
169.04942	3.6
169.06348	2.1
169.08615	14.1
171.06508	1.6
179.07016	4.9
181.08592	9.3
187.05994	1.6
189.09082	1.8
193.08568	17.3
199.06052	1.7
225.07570	16.3
235.09671	2.7
243.08621	16.9
247.09715	2.6
255.08702	3.6
259.07965	1.8
261.09137	3.2
261.11243	9.2
265.10620	4.4
271.02399	2.4
273.09662	8.9
277.10651	4.8
279.10471	50.3
295.11743	4.3
296.13495	1.8
297.13150	1.6
301.12836	2.3
309.11771	22.2
315.14392	6.1
331.13925	4.4
432.96948	1.5
441.16644	2.4
487.92587	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03434	0.5
79.04175	0.2
79.05482	0.1
80.05005	4.1
81.07047	0.5
83.04971	0.1
91.05470	0.2
93.07039	0.3
94.69353	0.1
95.04963	0.2
95.08601	0.1
96.04479	4.0
97.02855	0.4
97.06514	0.1
98.23512	0.1
105.07008	0.3
106.02877	0.3
107.08584	0.1
109.06503	0.1
111.04440	0.1
111.08061	0.2
113.06007	0.1
117.06969	0.1
119.08569	1.4
121.10095	0.1
123.04392	0.1
123.08061	0.1
124.03934	100.0
125.04234	0.3
129.07057	0.1
131.08578	0.2
133.06445	0.1
133.10118	0.3
135.08025	0.1
137.06035	0.1
140.03400	0.2
141.04411	0.1
141.05450	0.6
142.07748	0.2
143.08583	0.3
145.10103	0.3
155.07016	0.6
155.08354	0.1
156.09315	0.2
157.10114	0.4
158.10884	0.1
159.08009	0.1
159.11655	0.5
161.09627	0.1
163.07602	0.1
167.08540	0.1
169.10104	0.4
170.10864	0.2
171.11659	0.6
173.09599	0.1
173.13220	0.6
179.08493	0.1
180.09227	0.1
181.10136	0.1
182.10956	0.1
183.11674	0.4
184.12486	0.1
185.09602	0.1
185.13292	0.3
187.11118	0.1
187.14862	0.1
192.09331	0.1
193.10152	0.2
194.10852	0.1
195.11665	0.2
196.12459	0.1
197.13235	0.9
199.11125	0.1
199.14774	0.1
201.12651	0.3
203.14221	0.1
205.10106	0.1
206.10822	0.1
207.11702	0.3
209.13217	0.2
211.11145	0.1
211.14775	0.3
215.14296	0.1
219.11731	0.1
220.12457	0.7
221.13287	0.2
223.14857	0.1
225.16360	0.3
234.14069	0.2
235.14781	1.6
237.12831	0.1
238.13472	0.1
239.17981	0.1
249.16316	0.3
251.14101	0.1
253.15839	0.3
255.13795	0.2
267.17484	0.2
271.16864	0.2
277.15851	0.2
280.14688	0.1
283.15359	0.1
295.16898	0.7
313.17929	4.6
322.32971	0.1
331.19095	0.2
343.36993	0.1
402.98846	0.1
436.21127	0.2
454.22147	0.5
496.23254	0.1
514.24329	3.9
524.26575	0.1
584.28455	5.1
866.99762	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	1104.6015
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03931	1.1
78.99484	1.1
79.05485	4.9
87.03903	0.2
87.04456	4.5
89.06022	11.1
91.05460	3.3
95.04959	4.1
103.05455	5.6
103.07574	3.6
105.04603	1.4
105.07018	100.0
106.07358	0.5
107.04993	0.2
107.07068	0.2
109.00504	0.3
113.00003	2.9
113.06023	0.8
115.05465	0.3
115.07561	1.5
116.06226	0.5
117.07001	0.5
117.09121	3.5
119.04942	0.2
119.08568	0.6
121.06500	1.8
127.01554	22.7
128.06169	0.3
129.06966	1.4
130.08606	0.3
131.07095	1.3
131.08553	8.9
133.08591	10.7
133.10046	1.0
139.01532	11.2
145.06512	0.3
147.08035	2.5
147.10132	2.2
149.09604	1.3
153.03099	37.2
157.08675	0.2
157.10078	0.3
159.10176	1.4
161.11707	1.5
165.07036	0.3
165.09071	0.5
166.07703	0.3
169.10072	0.2
173.09576	0.8
175.09642	1.1
175.11168	0.4
177.11189	3.3
177.12730	0.2
178.07889	0.2
179.08517	0.2
181.10101	0.9
183.04160	5.6
183.05818	0.3
183.10191	0.2
191.10672	0.3
193.10088	0.2
193.12300	0.2
195.11952	0.2
197.05719	28.3
203.12750	0.5
207.11664	0.4
209.09712	0.2
209.11647	0.4
209.13301	0.5
211.11412	0.1
211.13327	0.3
215.06802	0.4
217.10223	0.2
219.12186	0.3
221.13879	0.4
222.10466	0.1
223.11162	1.3
223.15268	0.1
225.12717	7.7
227.06749	2.8
227.12732	0.6
235.14951	0.8
237.12747	0.3
239.14500	0.2
241.08331	8.3
249.12666	1.2
251.14284	17.0
252.14621	0.2
253.15901	6.1
259.09473	0.8
267.13815	1.2
267.17673	0.3
269.15335	1.5
271.09375	3.3
271.15402	0.6
277.15918	0.2
285.10901	2.8
293.15335	0.2
295.16916	1.1
301.15820	0.2
303.12082	0.9
311.16370	0.9
313.18106	1.3
315.11990	2.4
315.17984	0.6
327.17377	5.1
329.13602	0.9
329.18951	24.1
330.19247	0.2
339.19379	0.3
347.14505	0.8
353.18930	1.3
355.20465	1.0
357.20547	0.5
359.14523	1.4
359.20856	0.2
371.20096	1.8
373.16412	0.5
373.21576	5.3
375.21658	0.3
383.22202	0.2
391.17224	0.9
399.22479	0.2
401.22980	0.2
403.17117	0.6
415.22760	0.4
417.19125	0.3
417.24185	0.3
419.24146	0.3
431.23499	0.4
433.25140	0.5
435.20016	0.7
447.19702	0.3
461.27252	0.2
463.26721	0.4
477.27853	7.5
479.22437	0.4
491.22498	0.2
523.25165	0.5
567.27502	0.4
593.33966	0.2
611.29614	0.2
879.44775	0.3
983.51501	1.0
1087.56653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.6024
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03909	1.3
77.04231	0.1
78.99506	1.4
79.05489	7.5
87.04463	3.7
89.06026	10.0
90.64523	0.1
91.05474	4.4
93.07029	0.2
95.04964	5.3
97.00524	0.1
103.04753	0.2
103.05463	7.5
103.07574	2.5
105.04585	2.0
105.07025	100.0
106.07366	0.3
107.04949	0.2
107.07101	0.2
109.00547	0.2
111.02050	0.2
113.00008	3.7
113.06027	0.8
115.05454	0.4
115.07569	1.1
116.06232	0.6
117.07002	0.6
117.09138	2.7
119.04932	0.2
119.08583	0.6
121.06503	1.9
127.01560	29.0
128.06235	0.5
129.07025	1.3
131.07092	1.1
131.08562	7.3
133.06482	0.2
133.08603	7.1
133.10075	0.8
135.08078	0.2
139.01543	9.4
145.06508	0.4
147.08057	2.3
147.10133	1.8
149.09631	0.8
153.03110	32.4
157.10139	0.2
158.07281	0.2
159.10193	1.2
159.11488	0.2
161.11777	0.8
165.07002	0.4
165.09093	0.3
166.07768	0.3
167.08513	0.2
169.10222	0.2
173.09648	0.6
175.09660	0.7
175.11066	0.3
177.11229	2.6
178.07768	0.2
179.08536	0.3
179.12715	0.2
181.10104	0.6
183.04172	4.6
183.05786	0.2
191.08556	0.2
191.10605	0.2
192.09253	0.2
193.10255	0.2
193.12196	0.3
194.07251	0.1
195.11668	0.2
197.05728	20.4
203.08670	0.2
203.12766	0.3
207.11618	0.2
209.11583	0.3
209.13271	0.5
215.06781	0.2
218.10890	0.2
219.12204	0.2
221.09715	0.2
221.13799	0.4
223.11128	1.2
225.12726	5.7
227.06761	2.1
227.12865	0.3
235.14877	0.5
239.14487	0.2
241.08344	5.7
249.12772	0.8
251.14305	14.3
253.15921	4.7
259.09473	0.5
267.13791	1.0
269.15460	1.0
271.09436	2.5
271.15381	0.3
285.10999	2.2
295.16827	0.7
303.12018	0.5
311.16321	0.7
313.18024	1.0
315.11948	1.6
315.17850	0.4
327.17401	3.7
329.13501	0.7
329.18970	17.8
347.14685	0.8
353.18726	0.8
355.20392	0.8
357.20648	0.4
359.14771	0.9
371.20108	1.3
373.16306	0.4
373.21545	4.6
375.21558	0.3
391.17242	0.8
403.17188	0.6
417.18793	0.2
417.24057	0.3
431.23770	0.2
433.25250	0.3
435.19684	0.6
445.26077	0.2
447.20059	0.4
463.26288	0.2
477.27899	6.3
479.22214	0.3
491.22272	0.2
523.24890	0.4
565.32965	0.2
567.27325	0.3
611.30005	0.2
983.50793	0.9
1058.83411	0.2
1067.91150	0.2
1087.57251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
82.19621	0.2
106.01239	0.3
133.84193	0.3
141.66614	0.2
143.66965	0.2
176.81319	0.3
327.36420	0.3
344.97653	0.4
451.17532	0.4
501.08554	0.4
781.45697	0.6
1105.58472	100.0
1106.58704	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	111.0441
Annotation	Resorcinol
Peak:m/z	Relative Intensity
54.53895	5.8
55.05510	100.0
59.75416	6.5
65.03936	15.7
65.49216	5.8
66.18787	5.8
69.03423	83.8
71.34276	8.4
74.60267	6.1
83.04974	72.6
111.04418	28.8
111.05594	9.3
111.08057	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	111.044
Annotation	Resorcinol
Peak:m/z	Relative Intensity
51.64126	19.7
55.05510	100.0
65.03924	23.6
69.03438	98.1
69.83307	41.3
69.83692	36.2
82.05331	22.1
83.04983	71.5
88.70564	17.9
91.27966	20.9
111.04436	43.1
111.05565	49.3
111.06282	25.7
125.54408	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	111.0441
Annotation	Resorcinol
Peak:m/z	Relative Intensity
51.21406	6.4
55.05508	100.0
56.44599	8.4
64.53758	7.0
65.03926	12.9
67.05481	8.7
68.05024	22.0
69.03419	96.2
70.06599	13.8
71.43765	12.2
82.05316	48.5
83.05000	64.2
83.06098	59.6
93.04517	17.7
94.02948	8.4
104.48076	7.9
111.04433	35.2
111.05560	86.7
111.06299	13.3
111.09204	19.0
112.03943	8.0
112.07596	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0441
Annotation	Resorcinol
Peak:m/z	Relative Intensity
55.05510	100.0
65.03925	9.6
66.83910	5.3
67.05511	7.6
68.05013	5.4
69.03429	89.1
69.04583	4.9
79.36725	4.7
80.53085	5.1
83.04982	65.7
87.67820	5.3
111.04449	19.1
111.05579	9.0
112.07619	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	111.0444
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03946	2.8
54.66709	0.5
55.01869	2.6
55.05510	45.8
56.05027	1.3
56.05843	0.6
58.23484	0.4
59.93807	0.5
65.03938	7.3
67.05493	0.7
68.05024	4.0
68.99771	0.6
69.03432	4.2
69.04558	0.9
69.07059	1.3
70.06590	11.8
70.94295	0.8
70.94697	0.9
70.95876	0.7
81.04549	0.9
82.05320	23.7
83.00130	0.5
83.04981	35.6
83.06094	25.9
84.04498	1.5
84.08128	2.2
85.02903	5.6
92.72055	0.4
93.03404	1.3
93.04533	1.8
93.07047	0.6
94.02912	1.0
95.04906	0.6
95.06091	1.3
95.98743	0.5
111.04446	100.0
111.05578	27.4
111.08059	1.8
111.09238	1.1
112.03982	2.1
112.04799	1.4
112.05904	0.8
112.07597	7.5
112.08759	1.7
112.11233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0557
Annotation	Imidazole-4-acetaldehyde
Peak:m/z	Relative Intensity
54.03465	0.7
55.01868	0.3
55.04229	0.4
55.05499	1.4
56.05032	5.0
60.35065	0.2
67.05499	0.3
68.05028	4.4
69.03423	6.4
69.04548	2.2
69.76446	1.1
70.02937	0.3
70.06586	39.2
79.27988	0.3
81.04534	4.8
82.05317	94.7
83.06097	95.3
84.04494	1.8
84.06435	1.5
84.08118	1.9
88.57976	0.3
93.04527	0.6
94.02934	0.9
94.04073	0.5
95.02447	3.8
95.06087	1.0
96.04488	1.1
98.23379	0.5
99.92025	0.3
111.05559	100.0
111.09198	0.8
112.03938	0.9
112.05100	16.3
112.05905	2.5
112.07590	11.3
112.08740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03455	0.5
55.01863	0.4
55.04257	0.3
55.05505	1.0
56.05032	3.8
58.88715	0.2
61.08015	0.2
65.03911	0.3
67.05518	0.2
68.05028	2.5
69.03416	1.6
69.04551	1.1
69.07054	0.7
70.06585	100.0
70.35413	0.6
81.04528	3.7
82.05315	76.7
83.06095	77.4
84.04484	1.5
84.06437	1.1
84.08132	0.6
92.77131	0.3
93.04515	0.5
94.02925	0.3
95.02425	1.4
95.06085	0.5
96.04495	0.3
97.29208	0.2
98.22795	0.3
111.05556	81.5
112.03925	0.6
112.05076	5.0
112.05888	1.5
112.07590	2.8
112.08706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.6572
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03924	0.8
79.05485	5.0
87.04459	100.0
88.04800	0.6
89.06019	7.0
91.05470	9.4
93.07034	0.9
95.04961	3.8
103.05460	5.6
105.04536	1.3
105.07018	49.8
105.57963	0.2
106.07332	0.3
107.04950	1.7
113.05994	0.5
115.05435	0.9
115.07542	0.3
116.06232	0.4
116.46289	0.2
116.79520	0.2
117.07012	1.7
117.09122	1.9
119.04922	0.8
119.08562	3.5
121.06493	6.4
127.64183	0.2
128.06209	1.9
129.07001	2.4
131.07040	3.7
131.08549	6.0
132.05684	0.8
133.06461	0.4
133.08586	4.1
133.10149	0.6
135.08057	0.3
145.06447	0.9
147.08031	28.1
148.08333	0.3
149.09613	4.2
155.05949	0.3
161.11682	0.5
163.11168	0.3
165.07034	0.3
166.07788	0.4
173.09566	0.6
175.03030	0.2
175.09663	1.1
175.10931	0.2
177.11234	1.2
179.08612	0.3
181.10135	1.1
189.87402	0.2
192.09412	0.3
195.14873	0.2
208.08762	0.5
219.12236	3.3
222.10271	0.3
223.11119	0.9
225.12720	11.2
226.13158	0.2
227.12700	0.3
249.12732	1.4
251.14278	1.5
254.62814	0.2
263.14822	0.4
267.13660	0.5
269.15237	0.5
313.18134	0.3
329.19089	0.4
373.21548	3.2
556.98572	0.2
771.88745	0.2
1110.65918	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	1110.6569
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03898	1.2
79.05488	4.9
83.61339	0.2
87.04459	100.0
88.04787	0.6
89.06021	7.1
91.05465	8.8
93.07034	0.9
95.04957	3.9
103.04841	0.5
103.05460	4.8
105.04585	1.5
105.07018	50.0
106.07358	0.5
107.04939	1.6
113.05997	0.4
115.05453	1.0
115.07595	0.4
116.06218	0.6
117.07002	1.5
117.09154	2.0
119.04919	0.6
119.08562	4.1
121.06490	5.7
128.06232	1.6
129.07001	2.7
131.07042	4.7
131.08543	5.1
132.05716	0.9
133.06470	0.6
133.08597	4.8
133.10127	0.8
145.06470	0.9
147.08034	27.2
149.08469	0.5
149.09598	5.5
159.10149	0.3
161.11734	0.5
165.06918	0.4
165.08969	0.5
166.07747	0.5
173.09564	0.7
175.09610	1.6
175.11012	0.5
177.11217	1.7
179.08517	0.3
181.10080	0.9
192.09299	0.4
207.11794	0.3
219.12218	4.2
221.13736	0.3
222.10310	0.6
223.11147	1.9
225.12723	14.1
249.12744	3.1
251.14351	2.4
263.14807	0.6
267.13736	0.5
269.15317	1.0
293.84998	0.2
295.16675	0.3
311.16324	0.4
313.17810	0.5
327.17325	0.7
329.18878	0.4
373.21619	3.6
417.24081	0.4
445.26083	0.2
470.16205	0.3
860.26062	0.3
1110.65771	6.8
1111.64307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1112.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
78.99483	3.8
87.04463	37.3
89.06026	100.0
95.04973	0.7
103.07574	7.9
107.07080	2.3
113.00008	9.0
113.06003	5.5
115.07570	4.4
117.09114	5.2
121.02902	0.7
125.00011	1.2
127.01559	72.9
130.08640	1.1
131.07040	8.2
133.08597	62.1
135.53027	0.6
139.01541	25.4
147.10164	4.6
149.37859	0.6
153.03107	84.4
157.08618	1.4
159.10191	3.6
161.11729	2.2
175.09630	5.1
177.11206	19.9
183.04167	8.3
193.10754	0.7
197.05731	38.7
201.11336	0.7
219.12222	1.5
221.13861	3.4
227.06799	4.2
239.14873	1.2
241.08334	11.9
259.09442	0.9
271.09409	4.4
283.17542	0.8
285.10919	4.1
303.12115	0.7
315.11923	3.0
329.13626	1.5
347.14679	1.4
359.14563	2.5
373.16266	0.9
391.17197	1.0
403.17136	0.8
416.90076	0.6
435.19373	0.7
452.70187	0.6
533.47162	0.6
597.28918	0.6
718.45709	0.7
731.69360	0.6
1095.56921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1112.6725
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03914	2.1
79.05036	0.6
79.05487	9.2
81.03422	0.4
83.05932	0.3
87.04463	18.0
89.06023	68.5
91.05471	16.4
91.07600	0.6
93.07062	1.7
95.04958	7.0
97.06485	0.3
102.04688	0.4
103.05461	11.2
104.06223	0.6
105.04556	2.4
105.07021	100.0
106.07333	0.3
107.04949	3.4
107.07034	1.2
113.06007	1.6
115.05445	1.8
115.07533	0.9
116.06243	1.3
117.07008	2.9
117.09126	3.4
119.04916	1.4
119.08573	7.7
121.06494	12.8
124.03931	0.3
127.05432	0.3
128.06200	3.7
129.06996	5.7
130.08621	1.6
131.04881	0.5
131.07037	6.2
131.08568	11.3
132.05711	2.2
133.08594	47.8
133.10011	1.8
135.08066	1.0
135.10153	0.3
144.38776	0.2
145.06459	2.1
147.08037	54.8
148.08415	0.5
149.09607	12.1
151.09607	0.5
155.05978	0.6
155.08557	0.3
157.08612	0.6
159.10219	0.8
160.38779	0.3
161.11679	1.4
163.11107	0.7
165.06996	0.7
165.09113	1.0
166.07816	0.6
173.09575	1.8
175.09656	5.0
175.11159	0.7
177.11209	17.0
178.07727	0.6
179.08545	0.7
181.10086	2.4
191.10605	0.6
192.09335	0.3
193.10364	0.5
193.12163	0.4
203.12735	0.3
205.10043	0.3
206.10776	0.3
207.08054	0.3
207.11690	0.5
208.08853	1.0
209.11627	0.4
209.13438	0.4
219.12253	1.9
221.09695	0.3
221.13821	2.4
222.10368	0.6
223.11139	2.8
223.15399	0.4
225.12720	32.4
227.12747	0.5
234.10445	0.3
237.12822	0.7
239.14786	0.6
249.10284	0.5
249.12738	5.5
251.14317	4.9
253.16071	0.4
255.15894	0.5
263.14737	0.3
265.16415	0.4
267.13837	1.2
267.17886	0.4
269.15375	2.3
271.15314	0.7
283.17572	0.7
292.02100	0.3
295.16943	0.8
309.18988	0.4
311.16467	1.6
311.19580	0.3
313.17773	1.7
313.24271	0.3
315.18008	0.4
327.17038	1.7
329.19043	1.3
355.19528	0.4
373.21600	9.8
379.01068	0.3
385.21832	0.4
415.22629	0.3
417.24384	0.6
541.06555	0.3
551.61646	0.3
1095.63428	1.1
1112.67383	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	1112.6732
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03905	2.1
79.05485	8.6
87.04462	20.3
88.13004	0.3
89.06023	73.6
91.05472	17.2
91.06061	0.6
91.07594	0.4
93.07062	1.4
95.04959	7.9
100.82346	0.3
103.05461	11.7
105.04556	2.3
105.07020	100.0
106.07372	1.0
107.04946	3.0
107.07064	1.6
113.05975	1.6
115.05465	1.2
115.07556	1.3
116.06216	1.4
117.06998	3.1
117.09117	4.8
119.04922	1.7
119.08575	7.2
121.06500	11.7
127.05400	0.3
128.06213	3.7
129.06993	4.8
130.08643	1.5
131.04945	0.6
131.07031	6.9
131.08563	12.3
132.05698	1.3
133.06490	1.2
133.08594	55.4
133.10010	1.9
134.08925	0.5
135.08041	0.6
135.10127	0.6
143.08574	0.4
145.06487	1.9
145.10115	0.4
147.08034	53.8
148.08347	0.4
149.09601	11.7
155.06021	0.8
157.08682	0.7
159.10130	0.8
161.11769	1.7
163.07515	0.6
163.11160	0.6
165.07004	0.7
165.09106	0.5
166.07780	0.9
171.08008	0.4
173.09592	1.4
175.09673	5.2
175.11189	0.7
177.11203	20.3
178.07718	0.7
179.08545	0.8
179.12750	0.3
181.10097	2.6
191.10687	1.0
192.09413	0.5
193.10429	0.4
193.12196	0.7
195.11772	0.4
207.08153	0.5
207.11638	0.5
208.08846	0.7
209.09598	0.4
209.11594	0.4
209.13350	0.6
219.12228	1.5
221.09613	0.4
221.13795	3.7
223.11162	3.1
223.15233	0.8
225.12721	37.9
226.13066	0.6
235.14859	0.6
237.12897	0.5
239.14748	0.7
249.12740	4.9
251.14343	5.5
253.14267	0.3
255.16031	0.4
259.91418	0.3
263.15076	0.3
265.16412	0.7
267.13837	1.3
267.18124	0.4
269.15286	2.6
271.15335	0.4
283.17401	1.1
293.15167	0.4
295.16965	0.6
299.18643	0.4
309.19070	0.7
311.16214	1.4
313.17984	1.3
315.18024	0.7
327.17163	1.5
329.18994	1.4
339.19452	0.3
373.21597	12.2
397.24380	0.4
415.22498	0.5
417.24121	0.5
445.25760	0.5
538.83148	0.3
650.01111	0.3
882.72864	0.3
1095.62988	1.0
1112.67920	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	112.0509
Annotation	cytosine
Peak:m/z	Relative Intensity
52.01904	0.3
53.03956	0.2
55.93530	0.2
56.05028	0.5
56.96563	0.6
60.81280	0.2
67.02992	0.6
67.05493	1.0
68.01395	0.8
68.05030	1.4
69.03426	7.0
69.04551	5.9
69.04944	0.4
69.07063	0.5
70.02951	2.3
70.06587	100.0
70.94260	0.3
71.02516	0.2
71.04988	0.3
71.06915	1.4
71.39678	0.2
71.94097	0.7
71.95262	0.4
75.73351	0.2
82.05323	0.4
82.06593	0.3
83.05648	2.2
83.06110	0.8
84.04510	0.2
84.05663	0.4
84.05949	0.2
84.06434	2.5
84.07750	0.1
84.08139	5.1
94.04047	2.6
95.02444	19.3
95.04960	0.3
95.06081	1.7
96.00878	1.5
96.02187	0.2
96.02795	0.3
96.04473	0.5
112.05087	68.5
112.07592	11.9
112.08705	1.6
112.11230	3.9
113.00017	1.3
113.03485	3.4
113.05402	1.2
113.07154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05022	0.6
70.06590	100.0
71.06918	1.5
78.48621	0.1
80.22498	0.1
80.91183	0.1
85.07680	0.1
95.06065	0.1
104.84625	0.1
112.08712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1126.6676
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	7.6
87.04461	100.0
88.04802	0.4
89.06024	5.2
91.05471	4.4
93.07047	0.2
95.04964	5.1
103.04772	0.3
103.04965	0.2
103.05462	7.2
105.04576	2.1
105.07021	92.6
106.07361	0.8
107.05006	0.2
113.06029	0.4
115.05452	0.5
115.07568	0.2
116.06238	0.3
117.07011	0.5
117.09126	1.9
118.06574	0.2
119.04924	0.3
119.08533	0.7
121.06495	1.8
128.06223	0.3
129.06973	1.3
131.07051	4.1
131.08586	5.5
133.06480	0.2
133.08586	3.6
133.10081	0.7
144.53925	0.1
145.06519	0.4
147.08046	2.2
149.09587	0.7
153.06929	0.2
155.06013	0.1
157.10107	0.2
159.10226	0.2
161.11760	0.6
165.07077	0.4
165.09160	0.4
166.07761	0.4
167.08574	0.2
169.10155	0.2
171.08148	0.2
173.09665	0.5
175.09648	1.4
175.11116	0.2
177.11172	1.3
178.07893	0.2
179.08594	0.2
180.09396	0.3
181.10201	0.5
191.08702	0.1
191.10675	0.2
192.09361	0.2
193.10567	0.3
194.87712	0.1
195.08075	0.2
207.11765	0.2
209.13330	0.4
218.11060	0.2
219.12251	4.3
221.09622	0.2
221.13895	0.4
223.11320	0.5
225.12718	4.5
227.12897	0.3
235.14940	0.3
236.12164	0.1
239.14545	0.2
249.12842	0.6
251.14297	11.9
252.14719	0.2
253.15923	2.8
263.15033	0.6
267.14005	0.4
269.15378	0.9
271.15723	0.1
295.16998	0.6
311.16583	0.5
313.17963	0.8
315.17935	0.2
327.17316	2.0
329.18976	9.6
353.19073	0.4
355.20386	0.3
357.20816	0.2
371.19968	0.7
373.21555	2.4
397.27701	0.2
401.23071	0.2
417.24225	0.3
419.24036	0.2
421.15091	0.2
461.26865	0.2
477.27795	3.6
521.30157	0.2
549.31696	0.2
698.84357	0.2
854.90314	0.2
974.49475	0.2
1109.64490	0.2
1126.66614	5.0
1127.67334	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	1126.6673
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05483	4.4
79.93131	0.1
87.04456	100.0
87.16243	0.1
88.04787	0.3
89.06017	6.2
91.05460	2.2
91.84021	0.1
93.07032	0.1
95.04955	3.0
103.05456	4.6
105.04590	1.3
105.07015	68.1
106.07360	0.6
107.04969	0.2
107.07101	0.1
113.05977	0.4
115.05438	0.3
115.07560	0.3
116.06222	0.2
117.06969	0.5
117.07796	0.1
117.09120	2.2
119.04928	0.1
119.08560	0.3
121.06490	1.7
121.07311	0.1
128.06233	0.2
129.06972	0.8
130.08614	0.1
131.04918	0.1
131.07027	5.3
131.08559	5.4
133.08589	4.9
133.10062	0.7
135.08044	0.2
143.08569	0.1
145.06465	0.2
147.08026	1.9
149.08032	0.2
149.09612	0.5
157.08739	0.1
157.10112	0.1
159.10144	0.3
161.11690	0.7
165.07021	0.3
165.09062	0.3
166.07790	0.2
173.09589	0.3
175.09674	1.6
175.11105	0.2
177.11188	1.7
178.07762	0.2
179.08517	0.1
180.09398	0.1
181.10114	0.5
183.10109	0.1
191.10683	0.3
192.09213	0.1
193.10501	0.2
193.12253	0.1
195.07874	0.1
195.11790	0.1
203.08537	0.1
205.10074	0.1
207.08116	0.1
207.11662	0.2
208.08809	0.1
209.09782	0.1
209.11592	0.2
209.13304	0.3
219.12244	5.8
220.12636	0.1
221.09602	0.1
221.13765	0.4
222.10443	0.1
223.11140	0.9
224.78377	0.1
225.12709	5.1
227.12773	0.3
235.12926	0.1
235.14871	0.3
237.12965	0.1
249.12735	0.6
251.14291	11.0
252.14748	0.2
253.15900	2.9
255.15903	0.1
263.14835	0.7
265.16443	0.1
267.13806	0.5
267.17517	0.2
269.15329	1.1
271.15466	0.3
277.15793	0.2
281.15619	0.1
295.16949	0.5
297.18652	0.1
301.15836	0.2
304.82364	0.1
307.17587	0.1
309.19019	0.1
311.16162	0.5
313.18066	0.9
315.18100	0.2
327.17343	2.5
329.18948	13.0
330.19376	0.2
331.19492	0.1
353.18661	0.5
355.20657	0.6
357.20712	0.2
359.20877	0.1
371.19971	0.9
373.21570	3.5
375.21503	0.2
381.20663	0.1
383.22214	0.1
401.23303	0.2
405.22098	0.1
415.22601	0.3
417.24225	0.2
419.24353	0.2
431.23602	0.2
433.25253	0.3
445.25653	0.1
463.26837	0.1
477.27817	4.7
478.28372	0.1
1109.64539	0.1
1126.66663	6.2
1127.66675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1126.6885
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05045	0.5
79.05487	8.6
81.07059	0.4
87.04456	7.6
89.06020	20.2
91.05468	17.0
93.07036	1.9
95.04960	7.1
98.23512	0.8
102.04646	0.5
103.05469	10.2
103.07569	72.3
105.04568	2.4
105.07018	100.0
106.07355	0.7
107.04947	3.7
107.07027	0.6
113.06007	2.2
115.05419	1.4
115.07572	0.9
116.06210	0.8
117.07008	2.6
117.09116	9.4
119.04943	1.4
119.08564	6.5
121.02845	1.4
121.06489	12.0
128.06216	3.9
129.06996	4.4
130.08662	0.3
131.04932	0.4
131.07056	3.2
131.08551	12.0
132.05719	1.9
133.06516	0.6
133.08592	17.6
133.10043	1.5
135.08055	0.8
135.10184	0.4
143.08577	0.5
145.06511	1.8
147.08046	51.1
147.10120	33.6
149.09607	11.6
153.20685	0.3
155.06000	0.7
157.08675	0.4
157.10101	0.3
159.10175	1.3
161.11716	2.8
163.07558	0.6
163.11130	0.5
165.06963	0.9
165.09122	0.7
165.11275	0.4
165.72566	0.3
166.07788	1.1
173.09569	1.0
175.09657	2.6
175.11201	1.0
177.11183	6.4
178.07777	0.6
179.08553	0.6
181.10083	2.1
191.10735	1.2
191.12802	2.1
193.10342	0.4
193.12181	0.7
207.08008	0.4
207.11742	0.7
208.08801	0.4
209.09769	0.4
209.13605	0.5
211.11279	0.4
219.12230	0.5
221.13805	1.0
222.10492	0.4
223.11160	3.2
225.12712	40.0
227.12770	0.6
235.15184	0.7
237.12694	0.5
239.14752	0.5
249.12730	5.6
251.14323	5.9
255.06723	0.4
255.15948	0.6
267.06528	1.4
267.13815	1.5
269.15341	2.5
271.15457	0.7
283.17526	0.4
295.16913	0.9
297.18851	0.7
309.19315	0.4
311.16455	1.2
313.17868	1.4
315.18112	0.4
327.17456	1.2
329.18933	1.6
335.25793	0.9
339.19595	0.6
343.21124	0.4
355.20590	0.5
359.16547	0.4
373.21567	12.8
405.17435	0.4
407.18756	0.6
415.22766	0.6
417.24408	0.7
423.18027	0.6
433.16141	0.5
445.25928	0.6
451.17490	4.0
525.21283	0.9
543.21967	0.5
644.23627	0.4
770.08179	0.4
785.42389	3.0
803.43268	2.0
938.53827	0.4
1109.65393	0.5
1126.68726	19.7
1127.68787	0.6
1138.43457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1126.6871
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05481	10.2
81.07052	0.4
81.91227	0.2
87.04458	7.3
89.06019	18.8
91.05468	19.6
93.07042	2.0
95.04954	7.9
95.08590	0.3
101.62296	0.3
103.05462	10.3
103.07566	57.6
104.06226	0.3
105.04550	3.0
105.07014	100.0
106.07352	0.5
107.04932	3.1
107.07085	0.4
107.08609	0.3
113.06007	1.5
115.05424	1.3
115.07561	0.7
116.06231	1.3
117.06999	2.6
117.09111	6.2
119.04908	1.4
119.08569	7.7
121.02843	1.4
121.06490	11.4
128.06206	4.5
129.06984	4.7
131.04875	0.5
131.07056	2.2
131.08549	11.2
132.05685	1.9
133.06479	0.8
133.08588	12.9
133.10153	1.2
135.08035	0.8
141.06934	0.4
143.08551	0.5
145.06477	2.3
147.08034	57.0
147.10097	24.3
148.08377	0.4
149.09601	11.8
153.06917	0.3
155.06047	1.0
155.08524	0.3
157.08646	0.4
157.10063	0.5
159.08177	0.3
159.10141	0.7
161.09666	0.3
161.11749	2.4
163.03909	0.4
163.07449	0.4
163.11212	0.5
165.07019	0.8
165.09160	0.7
165.11128	0.3
166.07799	0.6
173.09584	1.4
175.09653	1.6
175.11119	0.6
177.11182	4.4
177.12686	0.2
177.56042	0.2
178.07811	0.3
179.08571	0.6
181.10095	2.3
187.11348	0.3
189.09004	0.3
191.10896	0.5
191.12793	1.5
192.09383	0.4
193.10138	0.3
194.07362	0.4
203.12831	0.5
205.10161	0.4
207.08055	0.5
207.11708	0.4
208.08827	0.7
209.09828	0.3
209.13377	0.7
219.12303	0.7
221.09570	0.4
221.13713	1.0
222.10350	0.7
223.11162	3.1
225.12709	28.2
227.12724	0.4
235.15048	0.5
237.12738	0.4
247.05833	0.5
249.12709	6.1
251.14313	3.8
255.06401	0.7
255.15977	0.6
265.16467	0.3
267.06451	1.9
267.13815	1.1
269.15277	1.7
283.17569	0.4
293.08405	0.3
295.16937	0.6
297.18845	0.3
305.08301	0.3
311.16592	1.1
313.17899	1.3
327.17255	1.5
329.19058	1.0
335.25876	0.8
373.21628	8.4
373.26248	0.5
373.37332	0.3
379.19064	0.4
387.15903	0.6
405.17197	0.8
407.18677	0.7
415.23022	0.4
417.24496	0.4
423.18002	0.8
433.16556	0.8
445.26099	0.4
451.17542	3.3
469.18961	0.4
525.21014	0.8
543.22351	0.9
702.42822	0.3
785.42542	2.2
802.42810	0.4
803.43542	1.8
1052.43701	0.3
1126.68774	15.2
1127.68774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1128.6828
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	7.7
81.03429	0.1
82.47525	0.1
84.96301	0.1
87.04460	8.4
89.06021	33.7
90.06324	0.1
91.05469	4.0
91.07624	0.1
93.07038	0.3
95.04346	0.2
95.04958	5.2
103.05457	7.9
105.04575	2.1
105.07018	100.0
106.07370	0.7
107.04957	0.3
107.07083	0.7
113.06019	0.6
115.05417	0.6
115.07588	0.3
116.06222	0.5
117.06973	0.6
117.09116	2.0
118.06527	0.2
119.04955	0.2
119.08540	0.5
121.06492	2.3
125.91131	0.1
128.06161	0.5
129.06989	1.5
130.08595	0.7
131.07051	2.7
131.08551	6.6
133.08589	24.3
133.10185	0.7
135.08022	0.2
135.10138	0.3
141.06996	0.1
145.06471	0.6
147.08035	2.5
147.09155	0.2
149.09616	0.8
151.09627	0.1
153.06967	0.2
155.08447	0.2
157.08664	0.2
157.10123	0.3
159.10170	0.3
161.11717	0.5
165.06993	0.4
165.09099	0.3
166.07767	0.4
169.10133	0.2
173.09581	0.5
175.09669	1.9
175.11102	0.2
177.11198	8.4
178.07800	0.2
178.11555	0.1
179.08566	0.3
179.12802	0.2
180.09248	0.1
181.06502	0.1
181.10110	0.6
183.10214	0.1
191.08780	0.1
191.10683	0.4
192.09369	0.3
193.10333	0.2
193.12160	0.1
195.11771	0.1
197.09521	0.1
201.27090	0.1
203.08539	0.2
203.12779	0.1
204.09370	0.1
205.10141	0.1
207.08141	0.2
207.11707	0.3
209.11545	0.2
209.13284	0.3
211.13217	0.2
219.12175	0.6
221.09636	0.4
221.13795	1.4
222.10318	0.3
223.11163	0.8
225.12726	5.3
227.12733	0.4
233.13223	0.1
234.10526	0.1
235.11241	0.1
235.14949	0.5
237.13092	0.1
239.14743	0.4
249.12692	0.7
251.14284	15.0
252.14891	0.2
253.15865	3.2
255.16010	0.1
255.18382	0.1
265.16492	0.4
267.13821	0.7
267.17548	0.3
269.15375	0.8
271.15417	0.3
277.15735	0.2
283.17471	0.4
295.17041	0.6
309.19034	0.2
311.16498	0.7
313.17966	0.8
315.17944	0.3
319.51593	0.1
327.17358	2.7
329.18951	12.7
330.19211	0.2
331.18958	0.1
338.43130	0.1
339.19775	0.1
353.18594	0.7
355.20346	0.5
357.20688	0.3
371.19757	0.7
373.21594	3.0
375.21750	0.2
397.24313	0.2
400.92502	0.1
401.23285	0.2
415.22635	0.2
417.24396	0.2
419.24017	0.2
431.23663	0.2
433.25214	0.2
441.26755	0.2
445.25635	0.2
463.26797	0.3
477.27826	4.9
478.28140	0.1
483.42334	0.1
521.30475	0.1
537.62164	0.1
549.31573	0.1
903.52802	0.1
1007.57886	0.2
1111.64197	0.3
1128.68689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1128.6826
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05488	7.0
87.04463	9.1
89.06025	40.3
91.05473	3.8
91.07573	0.3
93.07043	0.3
95.04964	4.9
103.05461	7.2
105.04564	1.9
105.07024	100.0
106.07358	0.5
107.04947	0.3
107.07082	0.8
113.06010	0.5
115.05465	0.3
115.07565	0.4
116.06250	0.5
117.07031	0.5
117.09132	2.2
119.04921	0.2
119.08530	0.8
121.06496	2.2
128.06226	0.4
129.06989	1.4
130.08632	0.5
131.07062	3.0
131.08560	7.8
133.08598	30.4
135.08089	0.2
135.10156	0.2
145.06453	0.4
145.10109	0.2
147.08047	2.6
149.09637	0.9
151.09526	0.2
157.08527	0.3
159.10155	0.6
161.11729	0.7
163.11069	0.2
165.07021	0.4
166.07770	0.5
173.09634	0.6
175.09692	2.0
177.11208	10.7
178.07639	0.2
178.55688	0.2
179.08537	0.3
181.10130	0.5
191.10648	0.4
192.09300	0.4
193.12280	0.2
195.07973	0.2
203.12669	0.2
203.16362	0.1
205.14384	0.2
207.09949	0.2
207.11787	0.3
209.09792	0.2
209.11540	0.2
209.13243	0.5
211.13298	0.2
212.51701	0.2
217.67995	0.1
219.12265	0.6
221.13837	2.0
223.11147	1.2
223.15237	0.3
225.12733	6.5
227.12778	0.4
235.14769	0.8
236.11806	0.2
239.14726	0.4
249.12720	0.7
251.14301	15.9
252.14600	0.2
253.13728	0.2
253.15953	4.1
255.15906	0.3
265.16434	0.5
267.13776	0.6
267.17722	0.3
269.15387	0.9
271.15329	0.2
279.15918	0.2
283.17548	0.5
295.16919	0.7
309.19125	0.4
311.16394	0.8
313.18027	1.2
313.88373	0.2
315.17957	0.3
327.17307	3.1
327.20587	0.3
329.18964	15.1
330.19199	0.2
339.19623	0.3
353.18912	0.6
355.20392	0.8
357.20609	0.3
371.19745	0.8
373.21628	4.2
397.24255	0.2
401.23203	0.3
415.22733	0.3
419.24091	0.4
433.24808	0.3
441.26910	0.2
463.26965	0.3
473.15240	0.2
477.27832	6.5
478.28464	0.2
485.29514	0.3
647.99585	0.2
694.01123	0.2
700.39410	0.2
903.52399	0.2
1007.58093	0.4
1111.64063	0.4
1128.68384	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	1130.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03436	0.5
79.04221	0.2
79.05494	0.0
80.05005	5.2
81.07024	0.1
91.05458	0.1
93.07035	0.1
95.04932	0.1
96.04478	5.3
105.03376	0.3
105.06989	0.1
112.88331	0.1
117.06934	0.1
121.02888	0.1
124.03934	100.0
125.04272	0.6
131.08519	0.1
140.03378	0.3
145.10086	0.1
159.07973	0.1
159.11676	0.1
171.11661	0.1
207.11700	0.1
215.14369	0.1
287.23834	0.1
295.16885	0.1
303.88815	0.0
313.17886	0.3
363.16016	0.1
364.16290	0.1
365.78003	0.1
407.18539	0.2
408.18738	0.1
435.18033	0.2
436.18048	0.1
453.18991	0.1
527.23273	0.1
545.23853	0.1
576.25824	30.0
577.26050	0.6
618.26947	0.7
788.43622	0.1
805.44409	0.1
806.44647	0.4
933.13385	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	1132.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	1.1
81.03412	36.7
81.07056	2.0
83.01346	1.0
83.04987	1.5
83.08598	0.9
85.02898	84.6
87.00822	39.8
87.04504	0.8
91.03931	1.6
91.05471	1.9
93.07075	2.2
95.04420	0.5
95.04931	2.4
95.08590	6.0
97.02885	51.1
99.04446	14.8
101.02377	1.3
103.03946	1.9
105.01861	56.9
105.07013	1.8
107.04980	0.7
107.08584	3.4
109.02871	61.1
109.10166	4.6
110.71317	0.4
111.04446	2.0
115.03895	1.8
117.01840	3.1
117.06975	0.6
119.04988	0.6
119.08572	3.9
121.10147	2.6
123.02989	0.6
123.04430	3.3
123.11711	1.3
125.02335	1.4
125.34836	0.5
127.03906	100.0
129.01845	3.8
129.05441	0.6
131.08554	0.6
133.10133	2.7
135.11664	1.9
139.03882	1.3
143.03288	0.5
145.04948	26.5
145.10069	1.2
147.02875	2.4
147.04413	0.9
147.11707	2.2
149.13231	0.9
151.03883	4.0
153.01799	1.0
159.02872	16.7
159.11710	1.2
161.05983	0.8
161.13213	1.8
163.03847	0.9
163.14777	1.8
165.05458	1.0
169.04942	4.6
171.02881	2.1
173.13242	0.6
175.03891	0.9
175.14827	1.5
177.03918	0.9
177.16249	0.8
179.17967	0.4
181.04912	1.7
181.68092	0.4
187.06015	3.1
187.14761	1.0
189.03940	7.8
189.05418	0.5
189.16402	3.0
190.06876	0.5
191.17926	9.5
193.04919	2.8
195.02873	1.6
201.16370	2.5
203.17926	8.4
205.04868	0.7
205.06935	0.5
205.19511	1.4
207.17348	1.3
211.05972	1.6
213.03918	29.1
215.18013	1.0
217.04900	0.9
217.19400	1.3
229.07126	0.7
231.04984	55.0
231.21075	0.5
233.06438	0.9
235.05963	2.8
235.16898	0.6
243.21008	0.4
247.16875	1.2
249.06036	29.2
249.18434	2.0
253.07037	5.7
255.04893	1.3
261.18530	0.5
271.08051	4.8
273.06030	17.4
283.24155	0.8
291.07077	0.9
297.05927	1.8
299.03906	0.6
303.07144	0.5
315.07031	3.4
317.04956	0.7
321.05939	1.8
329.24695	0.8
333.08167	1.7
335.29092	0.5
337.18127	0.5
339.07062	9.3
343.26285	1.1
345.69928	0.5
349.11203	0.6
357.08130	12.5
359.00879	0.5
375.09204	4.9
393.10214	11.4
393.35080	2.5
411.11298	5.6
411.36093	2.8
425.07028	3.0
439.35684	8.9
443.02765	0.6
443.08185	6.7
461.09283	12.4
461.15680	0.8
479.10309	10.3
497.11102	1.4
501.12375	0.9
605.12799	0.9
676.19592	4.2
875.51233	0.5
1132.52625	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	1132.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	1.1
81.03412	36.7
81.07056	2.0
83.01346	1.0
83.04987	1.5
83.08598	0.9
85.02898	84.6
87.00822	39.8
87.04504	0.8
91.03931	1.6
91.05471	1.9
93.07075	2.2
95.04420	0.5
95.04931	2.4
95.08590	6.0
97.02885	51.1
99.04446	14.8
101.02377	1.3
103.03946	1.9
105.01861	56.9
105.07013	1.8
107.04980	0.7
107.08584	3.4
109.02871	61.1
109.10166	4.6
110.71317	0.4
111.04446	2.0
115.03895	1.8
117.01840	3.1
117.06975	0.6
119.04988	0.6
119.08572	3.9
121.10147	2.6
123.02989	0.6
123.04430	3.3
123.11711	1.3
125.02335	1.4
125.34836	0.5
127.03906	100.0
129.01845	3.8
129.05441	0.6
131.08554	0.6
133.10133	2.7
135.11664	1.9
139.03882	1.3
143.03288	0.5
145.04948	26.5
145.10069	1.2
147.02875	2.4
147.04413	0.9
147.11707	2.2
149.13231	0.9
151.03883	4.0
153.01799	1.0
159.02872	16.7
159.11710	1.2
161.05983	0.8
161.13213	1.8
163.03847	0.9
163.14777	1.8
165.05458	1.0
169.04942	4.6
171.02881	2.1
173.13242	0.6
175.03891	0.9
175.14827	1.5
177.03918	0.9
177.16249	0.8
179.17967	0.4
181.04912	1.7
181.68092	0.4
187.06015	3.1
187.14761	1.0
189.03940	7.8
189.05418	0.5
189.16402	3.0
190.06876	0.5
191.17926	9.5
193.04919	2.8
195.02873	1.6
201.16370	2.5
203.17926	8.4
205.04868	0.7
205.06935	0.5
205.19511	1.4
207.17348	1.3
211.05972	1.6
213.03918	29.1
215.18013	1.0
217.04900	0.9
217.19400	1.3
229.07126	0.7
231.04984	55.0
231.21075	0.5
233.06438	0.9
235.05963	2.8
235.16898	0.6
243.21008	0.4
247.16875	1.2
249.06036	29.2
249.18434	2.0
253.07037	5.7
255.04893	1.3
261.18530	0.5
271.08051	4.8
273.06030	17.4
283.24155	0.8
291.07077	0.9
297.05927	1.8
299.03906	0.6
303.07144	0.5
315.07031	3.4
317.04956	0.7
321.05939	1.8
329.24695	0.8
333.08167	1.7
335.29092	0.5
337.18127	0.5
339.07062	9.3
343.26285	1.1
345.69928	0.5
349.11203	0.6
357.08130	12.5
359.00879	0.5
375.09204	4.9
393.10214	11.4
393.35080	2.5
411.11298	5.6
411.36093	2.8
425.07028	3.0
439.35684	8.9
443.02765	0.6
443.08185	6.7
461.09283	12.4
461.15680	0.8
479.10309	10.3
497.11102	1.4
501.12375	0.9
605.12799	0.9
676.19592	4.2
875.51233	0.5
1132.52625	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	1132.618
Annotation	Unknow
Peak:m/z	Relative Intensity
78.99505	3.3
79.05042	0.6
79.05487	9.1
87.04459	9.7
89.06022	21.5
91.05474	16.3
93.07009	1.3
95.04959	7.3
103.05456	12.0
103.06921	0.6
103.07571	4.5
105.04554	3.0
105.07021	100.0
106.07343	0.8
107.04948	3.7
107.07053	0.7
111.02117	0.5
113.00011	6.8
113.05981	1.8
115.05442	1.8
115.07557	2.8
116.06208	1.3
117.07013	3.1
117.09139	5.6
119.04917	1.9
119.08559	5.8
121.06491	11.1
127.01556	54.1
128.06200	3.5
129.06995	5.9
130.08566	0.5
131.07074	2.6
131.08554	12.7
132.05684	1.8
133.08597	16.3
133.10152	1.4
135.08118	0.8
139.01544	20.9
145.06503	2.0
145.95436	0.5
147.08035	58.3
147.10092	2.4
149.09619	11.8
149.35402	0.4
153.03102	65.0
157.08583	0.6
157.09933	0.4
159.10220	2.1
160.34940	0.4
161.11711	1.0
163.07567	0.8
165.07007	0.5
165.09091	0.4
166.07768	0.9
173.09624	1.3
175.09660	1.8
175.11137	0.7
177.11215	4.4
179.08542	0.7
181.10115	2.7
183.04172	7.6
188.49414	0.4
191.10707	0.5
193.12247	1.0
197.05724	30.5
203.12860	0.6
207.11723	0.4
208.08783	0.7
209.11638	0.5
221.13765	0.6
222.10411	1.0
223.11177	3.0
225.12723	31.9
227.06790	3.6
241.08334	8.6
249.12721	5.7
251.14328	4.5
259.09375	0.9
267.13745	0.9
267.18204	0.5
267.70142	0.4
269.15274	1.9
271.09390	3.0
278.81985	0.4
285.10947	2.5
295.16779	0.7
303.11926	0.7
311.16293	0.9
313.17801	0.6
315.11978	2.2
315.17813	0.6
327.17426	1.2
329.13544	1.1
329.18820	0.8
347.14517	0.8
359.14359	1.0
373.16663	0.5
373.21475	7.9
391.17212	0.6
399.22644	0.5
403.17242	0.9
415.22104	0.6
435.19943	0.5
447.19687	0.6
734.72638	0.4
981.10107	0.6
1115.57263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1132.6184
Annotation	Unknow
Peak:m/z	Relative Intensity
78.46969	0.4
78.99502	3.1
79.05493	8.0
87.04462	9.4
89.06025	22.4
90.58001	0.5
91.05476	17.1
93.07036	1.7
95.04961	7.0
103.05465	11.5
103.07574	4.3
105.04566	3.0
105.07024	100.0
106.07348	0.7
107.04951	3.3
112.64380	0.5
113.00006	7.8
113.06007	2.1
115.05450	1.7
115.07553	2.2
116.06247	1.6
117.07020	3.5
117.09123	4.8
119.04943	1.6
119.08570	6.9
121.06502	9.8
125.00025	0.6
127.01559	55.7
128.06226	4.1
129.07014	5.3
130.08701	0.5
131.07094	2.6
131.08560	11.4
132.05690	1.9
133.06464	0.8
133.08598	15.5
133.10176	1.6
135.08044	1.1
139.01544	19.5
145.06456	2.4
147.08043	53.4
147.10106	2.9
149.09610	12.0
153.03107	64.1
155.06018	0.7
159.10136	1.8
161.11781	1.0
165.06992	1.1
165.09064	0.8
173.09613	1.8
175.09662	2.5
175.11040	1.1
177.11194	4.8
178.07735	0.8
179.08672	0.5
181.10110	2.2
183.04150	7.5
191.10696	0.8
197.05730	32.9
207.11734	0.5
208.08766	0.8
209.13164	0.7
215.06749	0.7
217.46706	0.5
223.11195	3.9
225.12732	28.4
227.06750	3.4
232.10287	0.5
234.10120	0.5
241.08345	8.8
249.12717	6.7
251.14362	5.1
255.15617	0.5
259.09479	1.0
267.13782	1.1
269.15280	1.4
271.09381	3.9
285.10849	3.8
295.16885	0.5
303.12024	0.8
311.16202	0.9
313.17853	1.1
315.12018	2.6
327.17419	1.1
329.13492	0.5
329.19025	1.3
347.14777	0.8
359.14423	1.0
373.16751	0.9
373.21588	8.1
391.17303	0.7
403.17203	0.8
417.19125	0.6
447.19791	0.8
590.24158	0.6
1115.58289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1136.7004
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04461	31.2
89.06023	100.0
90.06396	0.3
91.07575	0.7
92.30279	0.3
95.04960	0.6
97.06499	0.4
102.01340	0.3
107.07058	2.3
113.05992	3.4
115.07564	1.5
117.09111	3.8
121.02865	0.5
123.61507	0.2
130.08617	1.0
131.07031	8.3
133.08594	69.2
134.08902	0.3
135.10159	0.5
139.07475	0.3
143.48309	0.3
151.09618	0.3
157.08615	1.5
159.10164	1.2
161.11707	1.4
167.07066	0.5
175.09648	6.4
177.11203	23.4
179.12808	0.8
181.04857	0.3
193.10768	0.3
201.11157	0.6
203.12811	0.5
219.12218	2.4
221.13824	4.1
223.15356	0.6
231.59792	0.3
233.65068	0.3
239.14944	0.7
263.14938	0.3
265.16458	0.9
267.17883	0.5
283.17499	0.9
309.18945	0.9
327.19897	0.4
353.21564	0.7
397.24399	0.4
405.05338	0.3
421.05362	0.3
485.29285	0.4
558.43597	0.3
763.33008	0.4
993.69702	0.3
1088.42932	0.3
1119.66895	0.7
1136.70007	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
99.31712	0.1
124.03930	0.8
146.02086	0.8
236.89796	0.1
335.16422	0.2
395.46741	0.1
458.19345	0.7
559.23700	0.2
581.22504	100.0
582.22827	4.6
599.23413	3.0
600.23932	0.2
622.25159	4.9
623.25311	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	1141.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05474	1.9
81.03410	5.3
81.07040	0.9
83.04970	3.8
85.02885	1.8
89.03871	0.5
91.05470	3.4
93.03400	1.3
93.07034	2.2
95.04958	4.9
95.08596	0.5
97.02896	1.8
97.06516	3.6
99.04453	1.0
103.05446	1.0
105.03383	3.5
105.04518	0.9
105.07016	6.5
107.04943	1.0
107.08557	1.6
108.02089	4.6
109.02866	1.8
109.06505	1.1
110.03649	0.6
111.04442	3.4
115.05453	1.2
117.03370	0.7
117.07005	1.6
119.04941	0.3
119.08567	1.4
121.02888	0.4
121.03997	0.5
121.06480	3.4
121.10094	0.3
123.04433	0.5
125.05976	7.2
127.03897	0.9
128.06207	0.9
129.03346	0.6
129.07014	1.6
130.07779	0.7
131.04956	0.8
131.08548	2.4
133.06503	1.6
133.10141	1.1
135.04434	0.4
135.08104	0.6
135.11647	0.4
136.01549	0.7
137.05942	0.5
141.05441	3.6
141.07016	0.4
142.07719	0.4
143.07013	2.6
143.08507	1.0
144.09288	0.6
145.02838	1.8
145.06468	1.4
145.10110	8.8
147.07968	0.4
147.11644	0.8
149.05997	1.0
151.03896	100.0
151.04999	10.9
152.04239	1.0
153.06961	0.6
154.07793	0.6
155.08577	1.1
157.06470	0.6
157.10109	0.6
158.07256	1.4
159.08078	1.3
159.11681	2.7
161.06049	0.3
161.09639	0.5
163.07556	0.4
163.11166	1.4
169.04927	5.1
169.10121	1.1
171.08084	0.4
171.11656	0.5
172.08815	0.4
173.09601	5.1
175.03957	0.3
175.07568	0.5
176.01068	0.6
177.01878	0.3
177.05444	4.7
177.12796	0.4
178.05829	0.8
179.08485	0.4
187.11153	4.6
189.01811	1.2
189.09172	0.6
189.12692	0.5
191.03397	1.0
191.10623	2.1
195.02809	0.4
197.09613	0.8
203.03424	1.1
205.04991	0.4
205.12206	3.2
207.02890	1.0
209.11722	1.3
213.09164	0.4
215.03477	0.7
215.10617	4.4
221.04509	0.8
225.83578	0.3
227.10849	0.4
233.11720	3.5
251.07062	0.7
251.12762	2.3
263.06973	0.4
265.08533	0.4
267.06467	2.0
277.08698	0.5
278.05667	3.4
279.06479	8.2
281.08273	0.7
291.06485	13.3
292.07153	2.2
293.08023	3.6
295.08160	5.5
297.07471	3.1
301.08136	0.3
303.06488	2.8
304.07257	0.7
305.08041	5.4
306.08591	0.5
307.09390	0.4
309.07541	4.4
313.09103	6.3
316.07700	0.4
317.08060	2.7
319.06259	0.7
319.09647	1.3
320.06644	0.5
321.07504	14.6
323.09210	0.5
329.07959	0.4
331.09698	1.4
333.07565	5.8
334.08310	0.3
335.09143	1.6
339.08243	0.6
342.13138	0.4
345.07492	4.2
347.09137	1.0
349.07001	0.4
351.08524	0.8
357.07599	1.4
359.09094	1.6
359.14978	0.4
363.08545	5.5
369.07486	0.7
371.09219	0.9
375.08521	3.2
377.15637	0.6
381.09915	0.7
381.40036	0.3
387.08493	2.8
389.09921	0.5
393.09753	1.3
395.17136	0.8
399.09723	0.6
401.10352	0.4
405.09753	2.6
411.10437	1.1
413.13022	0.5
413.17966	2.9
417.09937	0.5
423.10663	4.5
429.09641	1.1
435.11066	0.4
441.11777	4.4
447.10568	0.9
459.12378	1.0
465.11667	2.5
483.12927	0.5
489.11810	0.9
495.12659	0.8
498.57394	0.3
507.13077	1.4
521.16083	0.4
525.13354	0.9
533.18164	0.4
535.17706	0.7
537.18390	0.4
539.17615	0.3
543.14648	0.8
553.18677	0.6
561.16394	0.6
563.21069	0.4
571.19531	0.6
577.18286	0.4
585.20734	0.5
589.20581	1.6
593.21198	0.4
595.19659	0.9
603.22076	0.9
613.20465	1.7
621.22406	0.6
629.24292	0.7
635.23712	0.4
637.20398	1.3
643.21820	0.7
645.22461	0.5
647.24731	0.7
649.21729	0.4
655.21582	2.7
661.22174	0.7
667.24048	0.6
669.22473	0.7
671.24890	0.4
673.22723	3.5
677.25330	0.4
679.22919	1.3
687.23401	0.7
690.60614	0.3
691.23700	9.4
697.22687	1.4
705.25061	0.5
709.24719	11.9
713.24988	0.4
715.23230	2.4
721.22681	0.4
723.26105	0.7
733.24713	5.3
739.23834	1.1
745.24298	1.3
749.27991	0.6
757.24695	1.8
763.25665	1.0
775.25977	2.8
793.27075	4.0
811.13318	0.4
811.28009	5.3
812.27917	0.4
841.26678	0.4
1003.30774	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	1142.6982
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	7.9
79.05943	0.4
87.04463	2.5
89.06022	7.6
91.05461	4.2
95.04958	5.4
103.05457	7.4
103.07566	29.6
105.04579	2.3
105.07014	100.0
105.81158	0.3
106.07311	0.5
113.05995	0.4
116.06214	0.7
117.07025	0.5
117.09120	2.9
119.08559	0.7
121.06436	2.0
128.06149	0.5
128.57408	0.3
129.06969	1.1
131.07031	0.7
131.08551	6.2
133.08586	5.1
133.10136	0.8
145.06453	0.6
147.08099	3.0
147.10132	11.4
149.09575	0.7
161.11665	1.0
165.07076	0.5
173.09569	0.7
175.09688	0.6
177.11224	1.7
179.08598	0.6
181.10051	0.6
191.12744	0.7
192.09332	0.3
206.71533	0.3
209.13535	0.5
219.33217	0.4
221.09674	0.3
221.90303	0.3
223.11125	1.1
225.12715	5.3
235.14954	0.4
249.12659	0.5
251.14291	16.2
253.15939	3.3
267.13760	0.4
269.15302	1.0
277.15698	0.4
295.16806	0.8
327.17328	2.3
329.18973	10.4
353.18756	0.5
355.20407	0.7
357.20621	0.4
371.20120	0.6
373.21658	2.8
466.98489	0.4
477.27792	3.7
548.48352	0.3
1142.69739	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	1148.6278
Annotation	Unknow
Peak:m/z	Relative Intensity
86.39838	0.2
87.04456	3.3
89.06019	9.1
91.05473	4.3
93.07030	0.4
95.04958	5.0
98.68007	0.2
103.04756	0.4
103.05451	7.3
103.07570	1.8
105.04566	2.1
105.07014	100.0
106.07363	0.4
107.04913	0.3
113.00002	3.6
113.05991	0.8
115.05434	0.6
115.07552	1.0
116.06215	0.6
117.07016	0.6
117.09123	2.4
119.04914	0.4
119.08555	0.9
121.06512	1.7
127.01549	30.8
128.06206	0.4
129.06970	1.5
131.07094	0.8
131.08549	7.6
133.07584	0.3
133.08595	5.9
133.10130	0.7
139.01534	11.6
145.06477	0.3
147.04399	0.4
147.08049	2.4
147.10141	1.3
148.04707	0.2
149.09590	0.8
153.03094	38.6
155.08521	0.2
157.10117	0.2
159.10126	0.7
159.11432	0.2
161.11682	0.6
165.06996	0.4
165.09082	0.2
166.07758	0.5
169.10112	0.2
173.09579	0.6
175.09705	0.3
175.11108	0.2
177.11186	1.6
178.07919	0.2
179.08539	0.4
181.10132	0.6
183.04161	3.8
191.08530	0.3
191.10587	0.2
193.10020	0.2
197.05711	14.7
202.07590	0.2
203.12726	0.3
207.11713	0.3
208.08655	0.2
209.13239	0.4
215.06451	0.2
223.11125	0.7
225.12701	5.6
227.06767	1.8
227.12767	0.4
235.10645	0.2
235.14862	0.3
239.14365	0.2
241.08302	3.9
249.12807	0.8
251.14279	17.2
252.14632	0.2
253.15872	3.5
267.13858	0.4
269.15305	0.8
271.09384	1.5
277.15811	0.3
285.11011	1.4
295.16861	0.4
311.16470	0.6
313.17789	0.6
315.12003	1.2
315.17560	0.2
325.15787	0.2
327.17386	2.7
329.18961	12.8
347.14444	0.3
353.18948	0.9
355.20349	0.5
359.14465	0.7
371.20020	0.8
373.16864	0.3
373.21527	2.4
391.16962	0.4
403.16925	0.2
415.22552	0.4
431.23535	0.2
435.19598	0.4
445.26157	0.2
447.19897	0.3
477.21643	0.2
477.27878	3.5
479.22372	0.3
765.09467	0.2
927.83008	0.2
1131.57629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1148.6272
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03371	0.2
87.04456	4.1
89.06019	10.5
91.05466	4.3
91.06040	0.2
93.07069	0.2
94.98940	0.2
95.04957	5.6
98.22629	0.4
98.98446	0.2
103.05457	7.3
103.06924	0.2
103.07570	3.0
105.04565	2.2
105.07016	100.0
106.07355	0.6
107.04934	0.2
107.07056	0.2
109.00536	0.3
111.02067	0.1
112.99998	3.9
113.05984	1.3
115.05433	0.8
115.07559	1.3
116.06205	0.5
117.07004	0.6
117.09113	3.7
119.04945	0.2
119.08558	0.8
121.06494	1.7
124.99963	0.2
127.01549	32.2
128.06197	0.4
129.06981	1.6
131.07104	1.2
131.08546	8.3
133.06477	0.3
133.08592	9.0
133.10046	0.8
139.01537	10.6
141.06929	0.3
143.08475	0.2
145.06474	0.6
147.08047	2.0
147.10112	2.0
149.08540	0.2
149.09601	1.2
153.03093	34.2
154.07771	0.2
155.08578	0.2
156.32671	0.1
157.05865	0.1
157.08633	0.1
157.10147	0.2
159.10144	1.4
161.11716	1.1
165.06981	0.4
165.09087	0.4
166.07742	0.5
173.09608	0.8
175.09731	0.8
175.11038	0.2
177.11206	2.6
178.07767	0.2
179.08569	0.4
181.10088	0.8
183.04156	5.3
183.10144	0.3
183.36134	0.1
191.08652	0.2
191.10648	0.5
191.12515	0.2
192.09372	0.3
193.12141	0.2
195.08168	0.1
197.05713	23.6
203.08588	0.2
203.12711	0.4
207.07954	0.2
207.11691	0.5
209.11531	0.2
209.13193	0.5
211.13173	0.1
215.06670	0.2
219.12254	0.2
221.09613	0.2
221.13757	0.3
223.11113	1.3
225.12717	6.5
227.06769	2.1
227.12756	0.3
235.14938	0.7
237.12807	0.2
241.08325	7.0
249.12691	1.1
251.14287	14.5
253.15901	4.8
255.16066	0.2
259.09363	0.7
267.13834	0.9
267.17471	0.1
269.15308	1.2
271.09396	2.6
271.15390	0.4
275.13861	0.1
277.15836	0.4
285.10928	2.5
293.15393	0.2
295.16891	1.0
301.15787	0.3
303.11945	0.7
311.16403	0.7
313.18103	1.0
315.12009	1.9
315.17770	0.3
327.17374	3.8
329.13718	0.9
329.18958	18.8
330.19363	0.3
347.14548	0.7
353.18866	0.7
355.20361	0.6
359.14560	1.0
371.19992	1.2
373.16315	0.5
373.21497	4.6
375.21606	0.2
391.17230	0.6
403.17215	0.6
415.22336	0.2
417.18945	0.2
417.24008	0.3
419.24191	0.2
431.24066	0.2
433.25375	0.2
435.19943	0.5
447.19675	0.4
463.26828	0.2
477.27811	6.3
479.22623	0.3
491.22311	0.3
521.30188	0.2
523.24902	0.3
567.27417	0.3
611.30286	0.2
923.47113	0.2
1027.51953	0.6
1131.58594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.6117
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07052	0.3
84.56946	0.3
87.30737	0.3
88.76109	0.2
101.07324	0.2
105.07050	0.3
121.02837	0.3
203.25475	0.3
259.09482	0.3
313.27481	0.3
433.16086	0.4
451.18378	0.3
495.16321	1.4
523.24835	0.3
527.77130	0.3
541.05066	0.3
587.21173	0.3
611.29224	0.3
807.42285	0.4
818.93616	0.3
825.44458	1.6
896.46442	0.3
1149.61108	100.0
1150.61084	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	1154.6835
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	0.3
82.70049	0.3
87.04462	100.0
88.04810	0.3
89.06024	8.1
91.05473	8.7
93.07034	0.8
95.04964	3.1
98.23356	0.3
103.05457	5.2
105.04513	1.1
105.07023	45.1
107.04941	1.9
107.08620	0.2
113.05994	0.6
115.05464	0.8
115.07574	0.4
116.06215	0.5
117.07027	1.4
117.09116	1.9
117.31056	0.2
119.04919	0.7
119.08572	3.4
121.06499	5.4
128.06218	2.1
129.07011	2.2
131.04877	0.4
131.07037	5.0
131.08549	5.1
132.05710	0.6
132.21097	0.3
133.06454	0.4
133.08597	5.6
133.10144	0.8
135.08078	0.5
145.06459	0.8
147.08040	27.1
149.09618	4.7
153.58685	0.3
155.05945	0.4
159.10132	0.6
159.94403	0.3
161.11725	0.9
165.07005	0.5
165.09108	0.5
166.07686	0.3
173.09505	0.4
175.09610	1.8
175.11017	0.5
177.11212	2.2
179.08504	0.4
181.10071	1.2
188.46210	0.2
191.10634	0.6
193.10379	0.3
193.12143	0.4
194.07315	0.3
207.11705	0.3
208.08641	0.2
212.49405	0.3
219.12253	5.0
221.13628	0.3
222.10368	0.3
223.11147	1.4
225.12726	15.2
227.12646	0.3
249.12698	2.2
251.14340	2.8
263.14853	0.7
267.13681	0.6
269.15247	0.9
295.16901	0.4
307.17398	0.3
313.17853	0.7
327.17374	0.7
329.18933	0.5
373.21548	4.4
479.16928	0.5
563.53534	0.3
1154.69116	6.5
1155.67383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1154.6837
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04459	100.0
88.04800	0.3
89.06023	7.4
91.05466	9.2
92.47901	0.3
93.07036	0.9
95.04958	3.5
103.05457	5.7
105.04513	1.3
105.07018	46.7
106.07365	0.3
107.04959	1.7
107.07041	0.3
113.06004	0.7
115.05445	0.8
115.07603	0.4
116.06216	0.8
117.06998	1.9
117.09129	2.4
118.65040	0.3
119.04917	0.7
119.08563	4.0
121.06500	5.7
128.06168	1.6
129.06992	2.8
131.07037	5.0
131.08548	5.2
132.05684	1.0
133.06480	0.3
133.08595	6.4
133.09657	0.3
133.10135	0.8
135.08037	0.5
145.06468	1.2
147.08032	27.1
148.08301	0.3
149.08481	0.4
149.09608	4.8
155.05939	0.3
157.10083	0.4
159.10078	0.6
161.11684	0.8
163.11093	0.3
166.07704	0.5
173.09569	0.8
175.09689	1.6
177.11200	2.3
178.07713	0.4
179.08549	0.3
181.10103	1.2
191.10648	0.4
193.10483	0.2
194.11699	0.2
208.08884	0.3
209.09839	0.3
209.11594	0.3
209.13313	0.4
219.12239	5.7
222.10304	0.3
223.11197	1.4
225.12712	14.6
237.12814	0.4
249.12691	3.3
251.14301	2.3
256.22046	0.3
263.14804	0.6
267.13705	0.7
269.15332	0.8
284.57004	0.3
295.16678	0.4
311.16275	0.6
313.17792	0.7
322.61041	0.3
327.17184	0.9
329.18829	0.5
373.21552	4.2
872.05591	0.3
940.52905	0.3
1154.64783	6.7
1155.66882	0.3
1181.28064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1156.699
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07049	0.4
87.04460	20.9
88.05478	0.3
89.06023	74.9
91.05473	20.2
91.06055	0.7
91.06325	0.4
93.07040	1.4
95.04956	7.1
95.95377	0.3
102.04694	0.4
103.05458	10.0
104.06243	0.3
105.04554	3.1
105.07021	100.0
106.07318	0.5
107.04958	3.3
107.07062	1.2
107.08590	0.6
113.05993	1.8
115.05441	1.8
115.07559	1.6
116.06210	1.0
117.07010	2.8
117.09131	5.5
119.04951	1.8
119.08568	8.0
121.06500	11.3
128.06206	4.6
129.06985	4.5
130.08629	1.1
131.04916	0.8
131.06062	0.6
131.07053	7.0
131.08553	10.9
132.05693	2.0
133.08594	54.2
134.08873	0.4
135.08028	1.3
135.10114	0.7
145.06488	2.5
147.08035	56.0
148.08324	0.4
149.09607	13.8
155.06017	0.9
157.08682	0.8
157.10014	0.5
159.07938	0.4
159.10110	1.5
159.11440	0.3
161.11662	1.6
163.11177	0.6
165.07004	0.8
165.09099	0.9
166.07794	1.1
173.09599	1.3
175.09668	4.8
175.11084	0.7
177.11203	20.5
178.07747	0.6
179.08516	0.7
179.12787	0.3
181.10083	1.6
189.12770	0.4
191.10594	0.9
192.09369	0.4
193.12320	0.5
201.11096	0.6
203.12668	0.4
207.08099	0.4
207.11610	0.8
208.08810	0.9
209.09746	0.4
209.13274	0.5
219.12276	1.8
221.13800	3.4
222.10429	0.4
223.11176	3.6
223.15385	0.5
225.12724	35.7
226.13211	0.4
227.12816	0.8
235.14888	0.6
237.12822	0.6
239.14853	0.7
249.12703	7.4
251.14346	5.6
253.16133	0.5
255.15773	0.6
265.16403	0.5
267.13754	1.6
269.15317	2.0
277.15912	0.4
283.17529	0.6
295.16794	0.6
299.18552	0.4
309.18958	0.5
311.16455	1.6
313.17877	1.5
315.18036	0.4
327.17068	2.0
327.20679	0.4
329.19003	1.7
341.19589	0.4
355.20123	0.4
373.21585	10.1
397.24118	0.4
401.23505	0.3
415.22400	0.6
417.24622	0.5
445.24951	0.4
479.16779	0.7
480.16541	0.5
655.80487	0.3
832.43176	0.8
1139.65344	0.8
1156.71960	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	1156.699
Annotation	Unknow
Peak:m/z	Relative Intensity
80.00111	0.3
87.03912	0.4
87.04462	25.5
89.06023	83.4
91.05470	19.5
93.07041	1.7
95.04960	7.8
103.05460	10.0
105.04559	2.5
105.07020	100.0
106.07353	0.5
107.04944	3.2
107.07091	1.9
113.06000	2.2
115.05461	1.6
115.07594	1.4
116.06223	0.8
117.07001	3.1
117.09127	6.5
119.04929	1.4
119.08573	7.7
121.06496	11.8
127.05353	0.3
128.06203	4.0
129.06999	4.9
130.07764	0.3
130.08591	1.5
131.04936	0.4
131.07025	8.9
131.08551	13.5
132.05685	1.9
133.08594	67.5
133.10010	2.2
134.08908	0.5
135.08043	1.0
135.10164	0.5
145.06537	1.6
145.10046	0.4
147.08035	54.5
148.08363	0.5
149.09605	13.0
155.06006	1.1
155.08466	0.4
157.08591	0.5
157.10164	0.5
159.10199	1.7
159.11362	0.4
161.11729	2.4
163.07478	0.4
163.11073	0.4
165.06969	1.1
165.09085	1.0
166.07751	0.6
173.09569	1.6
175.09666	7.0
175.11157	0.9
175.66205	0.3
177.11203	23.5
178.07718	0.5
179.08522	0.6
179.12738	0.7
181.10103	2.3
191.10669	1.0
193.10483	0.4
193.12247	0.7
201.11093	0.5
203.12743	0.3
205.09966	0.3
207.11713	0.6
208.08810	0.8
209.09512	0.4
209.13280	0.6
219.12184	2.3
221.13788	4.0
222.10310	0.7
223.11182	3.4
223.15347	0.6
225.12720	44.7
226.12943	0.7
227.12764	0.7
235.13045	0.4
237.12772	0.8
239.14818	1.2
249.12717	6.9
251.14304	6.7
255.15997	0.7
265.16357	1.2
267.13828	1.5
267.18146	0.4
269.15250	2.9
271.15289	0.7
277.15756	0.5
283.17474	1.0
295.16806	0.9
309.19037	0.7
311.16263	1.2
313.17975	1.4
315.17899	0.6
327.17111	1.5
329.18973	1.7
343.65155	0.4
353.21741	0.7
355.23746	0.4
373.21588	14.9
374.21863	0.6
397.24176	0.5
399.22803	0.5
401.23135	0.4
403.24222	0.4
415.22824	0.5
417.24323	0.7
445.25726	0.7
479.16519	0.6
571.21472	0.3
757.41083	0.3
832.42719	0.4
1139.65063	1.3
1156.70715	4.2
1157.70251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01656	0.5
54.47707	0.6
63.02370	2.8
65.03936	1.6
70.06600	1.3
70.81700	0.9
77.53168	0.6
79.05499	0.6
89.03909	85.2
90.03434	3.5
90.04235	2.1
91.34991	0.5
116.04967	100.0
116.10694	0.8
117.05236	3.1
117.07026	0.7
134.06000	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	116.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02377	3.6
65.03932	2.3
70.06586	6.0
70.81511	1.0
75.35801	0.7
89.03912	82.9
90.03435	1.6
90.04240	2.0
90.04717	1.2
91.30519	0.7
111.24083	0.8
115.05461	1.0
116.04974	100.0
116.10720	0.9
117.05272	2.2
130.06595	0.7
134.06012	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	116.071
Annotation	Proline
Peak:m/z	Relative Intensity
52.89444	0.1
56.08252	0.1
68.05007	0.3
70.06590	100.0
71.06923	2.1
86.75758	0.1
93.72867	0.1
98.06064	0.3
98.23486	0.4
101.87426	0.1
109.50491	0.1
116.07090	7.5
117.07405	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	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02638	0.4
56.05034	91.3
56.96562	1.4
57.05356	1.0
62.30820	0.3
70.06589	8.9
70.87605	0.7
71.04991	18.9
72.08149	0.5
74.93828	0.6
78.20218	0.4
83.57027	0.4
84.04501	100.0
84.61281	0.3
85.04833	1.6
98.03191	0.4
98.06046	0.6
98.97554	1.8
99.04447	7.4
116.07098	3.1
116.10691	0.6
116.14348	0.6
116.98602	1.3
131.66765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	Proline
Peak:m/z	Relative Intensity
56.05035	94.7
57.05372	1.2
57.73657	0.3
58.06583	0.4
59.62942	0.3
60.05684	0.6
63.63255	0.4
64.32261	0.4
65.56671	0.4
70.00312	0.4
70.06593	35.3
70.61596	0.7
71.04993	20.4
72.05647	0.5
73.07674	0.5
84.04504	100.0
85.04839	1.6
89.90513	0.4
96.47398	0.4
98.07162	2.2
98.80746	0.5
99.04456	6.9
116.07095	5.9
116.08200	1.4
116.10707	1.9
116.14379	0.8
132.13138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Proline
Peak:m/z	Relative Intensity
53.56903	0.8
55.05508	2.3
56.05033	94.0
56.96562	4.9
57.03432	0.9
57.93560	1.7
58.06597	16.6
59.99102	1.9
69.03448	0.8
69.07059	1.4
70.02982	0.9
70.06588	93.2
70.64042	1.5
71.04986	31.5
71.06904	1.7
71.99072	0.8
72.08144	2.5
74.02428	1.9
74.06077	2.0
74.29480	0.8
74.93153	4.9
74.93822	11.5
79.31018	0.8
84.04497	100.0
85.04816	2.1
88.07633	1.0
92.94888	5.4
98.06022	1.4
98.09695	2.5
98.97580	7.5
99.04457	8.1
100.02180	2.1
101.67751	0.7
114.38084	0.8
115.96438	2.0
116.01637	1.6
116.07080	12.6
116.10720	11.8
116.97169	1.2
116.98613	8.1
117.04837	18.7
134.99672	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	1164.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07027	0.3
91.05462	0.5
93.07037	0.4
95.04958	0.2
95.08575	0.5
96.04482	6.3
97.02875	0.2
97.06517	0.1
103.05469	0.1
105.07027	0.9
106.02904	7.7
107.04941	0.2
107.08563	0.4
109.06485	0.2
109.10126	0.1
115.05372	0.1
117.06982	0.2
119.05934	0.1
119.08566	1.3
121.06483	0.2
121.10139	0.6
123.08082	0.3
124.03938	100.0
125.02332	0.1
125.04262	0.6
125.06018	0.1
127.03927	0.1
128.06195	0.1
129.06982	0.2
130.07814	0.1
131.08568	0.6
133.06480	0.2
133.10118	1.0
135.08037	0.3
140.03412	0.3
141.06938	0.2
142.07764	0.3
143.08531	0.7
144.09332	0.1
145.06479	0.1
145.10109	1.4
147.08047	0.2
147.11693	0.3
149.09602	0.2
153.05298	0.1
153.07002	0.1
155.05945	0.1
155.08551	0.3
156.09314	0.4
157.10127	1.0
158.10872	0.1
159.08035	0.2
159.11679	0.9
161.09605	0.3
161.13257	0.2
163.07500	0.1
166.05011	0.2
167.08559	0.2
168.09286	0.1
169.10167	0.4
170.10909	0.3
171.08134	0.1
171.11647	1.0
171.13039	0.1
172.12477	0.3
173.09583	0.3
173.13237	0.9
174.14038	0.3
175.11203	0.2
175.14877	0.1
178.07713	0.1
179.08554	0.1
180.09396	0.1
181.10138	0.3
182.10901	0.2
183.08014	0.1
183.11633	0.8
184.12428	0.1
185.09602	0.2
185.13264	0.6
187.11171	0.2
187.14810	1.6
188.12070	0.1
188.15572	0.1
189.12685	0.2
192.09221	0.1
193.08488	0.1
193.10136	0.2
194.10895	0.1
195.11600	0.4
196.12430	0.1
197.09563	0.1
197.13266	0.4
198.14006	0.7
199.11230	0.1
199.14717	0.4
201.09071	0.1
201.12756	0.3
203.14285	0.6
206.10938	0.1
207.11723	0.2
208.12498	0.1
209.09729	0.1
209.13229	0.3
211.11206	0.2
211.14832	0.2
213.12709	0.1
215.14270	0.2
216.15073	0.3
217.15907	0.2
221.13271	0.1
222.14069	0.1
223.11296	0.2
223.14790	0.2
225.12779	0.1
225.16396	0.1
227.10696	0.1
227.14352	0.1
227.17975	0.1
229.06055	0.5
231.10272	0.1
234.14024	0.1
237.16336	0.2
239.14345	0.1
241.12222	0.1
241.15903	0.2
247.09615	0.1
247.14977	0.1
255.13866	0.1
255.17363	0.2
265.15796	0.5
271.13287	0.1
283.16776	0.4
287.16400	0.5
293.15402	0.2
294.15121	0.1
301.18045	0.3
310.18121	0.3
311.16348	2.4
329.17432	2.6
362.81302	0.1
371.18665	0.2
434.19559	1.7
452.20508	0.9
494.21677	1.1
512.22815	0.3
530.23798	16.5
531.24078	0.1
557.22742	0.7
575.23877	2.3
617.24847	2.0
635.25891	18.9
636.25861	0.4
784.33484	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	117.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
56.96564	1.0
57.05358	0.6
58.06595	84.8
59.06934	1.2
59.99104	7.1
59.99385	0.6
62.50729	0.3
67.04248	0.4
70.55119	0.7
71.06915	0.6
71.98695	0.5
71.99091	7.6
71.99470	0.4
72.08156	0.7
73.01132	0.6
83.06107	1.4
85.04813	0.4
98.97601	1.6
100.02196	14.0
116.98600	0.5
117.04829	100.0
118.05159	1.4
134.99687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0483
Annotation	ALLYLTHIOUREA
Peak:m/z	Relative Intensity
56.05038	0.6
56.96564	1.0
57.05358	0.6
58.06595	84.8
59.06934	1.2
59.99104	7.1
59.99385	0.6
62.50729	0.3
67.04248	0.4
70.55119	0.7
71.06915	0.6
71.98695	0.5
71.99091	7.6
71.99470	0.4
72.08156	0.7
73.01132	0.6
83.06107	1.4
85.04813	0.4
98.97601	1.6
100.02196	14.0
116.98600	0.5
117.04829	100.0
118.05159	1.4
134.99687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02068	5.4
55.05514	11.7
56.96553	11.8
57.01617	4.9
57.03432	100.0
58.03681	4.8
58.06342	6.3
58.06598	87.2
59.04982	13.2
59.99094	6.9
61.02925	11.5
70.06574	14.4
70.54135	6.4
70.69062	6.8
71.04997	67.4
71.06921	40.2
71.08628	8.1
72.04489	8.6
72.08140	22.8
72.44123	5.5
76.93330	8.0
79.05487	8.1
81.07053	21.0
89.06026	10.3
91.05460	9.4
95.04941	15.9
98.22617	6.0
98.97575	15.2
99.08077	8.2
100.02198	9.6
105.04489	6.4
115.05437	9.4
116.98602	16.8
117.04829	96.2
117.07004	13.4
117.09112	7.9
118.06515	34.3
118.08633	10.3
134.99672	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	1170.6936
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03442	0.1
87.04457	100.0
88.04808	0.5
89.06019	6.2
91.05463	3.1
91.06040	0.1
93.07030	0.3
95.04960	4.2
102.04652	0.1
103.05457	6.0
104.06371	0.1
105.04600	1.2
105.07016	84.0
106.07343	0.8
107.04924	0.2
107.07038	0.1
113.06033	0.5
115.05449	0.4
115.07566	0.3
116.06193	0.3
117.06988	0.5
117.09120	2.0
118.06508	0.1
119.04945	0.2
119.08575	0.6
121.06489	2.0
127.11567	0.1
128.06212	0.4
128.66273	0.1
129.06987	1.2
131.07025	4.5
131.08557	6.1
132.05675	0.2
133.06477	0.2
133.08591	4.4
133.10049	0.6
135.08081	0.2
135.10132	0.1
143.08546	0.1
145.06491	0.4
145.10097	0.1
147.08035	2.3
149.08139	0.1
149.09608	0.8
155.08537	0.2
157.10069	0.1
159.10164	0.3
161.11679	0.8
165.07019	0.3
165.09128	0.2
166.07758	0.3
167.08507	0.1
169.10153	0.1
171.42052	0.1
173.09592	0.6
175.09677	1.2
175.11101	0.2
177.11192	1.6
178.07858	0.2
179.08549	0.2
181.10141	0.6
191.08617	0.1
191.10660	0.2
192.09341	0.3
193.10506	0.2
193.12256	0.1
197.09605	0.2
203.08536	0.1
203.12788	0.1
205.14302	0.1
205.44383	0.1
207.08096	0.1
207.11787	0.2
208.08842	0.1
209.09837	0.1
209.11571	0.2
209.13286	0.3
218.11000	0.1
219.12253	4.5
221.09576	0.1
221.13789	0.3
222.10381	0.1
223.11089	0.9
223.15227	0.1
225.12718	5.3
226.12991	0.1
227.12772	0.3
232.03169	0.1
235.14865	0.4
237.12952	0.1
239.14561	0.1
249.12697	0.7
251.14285	15.1
252.14722	0.3
253.15907	3.2
254.16127	0.1
255.16129	0.1
263.14801	0.7
267.13818	0.5
267.17676	0.2
269.15326	0.8
271.15326	0.2
277.15744	0.2
295.16980	0.4
297.18304	0.1
301.15952	0.2
307.17648	0.1
311.16217	0.4
313.18008	0.7
315.17972	0.1
327.17398	2.0
329.18951	11.0
330.19327	0.2
339.19617	0.1
351.20068	0.1
353.18784	0.5
355.20364	0.5
357.20840	0.2
371.19943	0.5
373.21600	3.0
374.22165	0.1
375.21402	0.2
401.23285	0.2
405.22473	0.1
415.22946	0.2
417.24142	0.2
419.24362	0.2
431.23941	0.2
433.25146	0.2
445.26215	0.1
448.24988	0.1
461.26776	0.1
463.27267	0.1
477.27847	3.9
478.28293	0.2
521.30524	0.1
662.99579	0.1
801.47919	0.1
1153.62988	0.1
1170.69397	5.4
1171.70398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1170.7144
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07045	0.5
84.94567	0.3
87.04462	7.4
89.06025	17.9
91.05473	18.7
92.37294	0.3
93.07038	2.0
95.04353	0.4
95.04959	7.3
98.22793	0.3
103.05463	11.4
103.07571	54.2
105.04543	2.6
105.07020	100.0
106.07342	0.7
107.04947	3.5
107.07047	0.5
112.79423	0.3
113.05999	1.8
115.05441	1.3
115.07578	0.6
116.06217	1.1
117.06988	3.1
117.09127	6.8
119.04940	1.7
119.08574	8.1
121.06495	13.1
128.06207	3.4
129.06999	5.0
131.04965	0.6
131.07092	2.3
131.08551	10.9
132.05737	2.0
133.06496	0.8
133.08592	12.7
133.10141	1.3
135.08066	1.0
145.06453	1.8
147.04422	2.7
147.08044	58.5
147.10095	20.4
148.08371	0.4
149.09604	9.8
155.06049	1.0
157.08678	0.4
157.10197	0.3
159.10173	1.1
161.11742	2.2
163.07617	0.4
163.11165	0.4
165.07025	0.8
165.09099	0.6
166.07794	1.3
166.91734	0.3
173.09555	1.4
175.09663	1.8
175.11211	0.8
177.11206	4.5
178.07747	0.7
179.08556	0.9
181.10123	2.5
191.08524	0.3
191.10739	1.0
191.12804	1.0
192.09406	0.4
193.10228	0.4
193.12184	0.5
195.08160	0.4
195.11807	0.3
207.08032	0.4
207.11707	0.5
208.08835	0.7
209.13403	0.5
221.13747	0.7
222.10379	0.5
223.11130	2.3
225.12723	25.3
234.10443	0.4
235.15256	0.5
237.12894	0.4
247.13188	0.6
249.12767	3.6
251.14288	3.6
255.16075	0.3
267.13861	0.7
269.15323	1.6
271.15488	0.4
275.12930	0.9
295.16910	0.4
311.16507	1.3
313.18036	0.9
313.27426	1.0
315.12247	0.3
327.17316	0.7
329.19156	1.3
355.06818	0.3
373.21591	8.2
415.23047	0.4
417.24274	0.5
445.25952	0.5
463.17856	0.3
537.21112	0.4
555.22327	0.7
616.61957	0.4
723.96820	0.3
775.43292	0.5
793.44702	1.7
847.43536	0.7
1042.52148	0.4
1170.71472	15.1
1171.72498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1170.7149
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04465	8.9
88.39111	0.3
89.06027	19.9
91.05473	21.8
93.07024	1.8
95.04965	8.2
95.08596	0.4
98.22739	0.5
103.05467	11.5
103.07573	63.3
104.07912	0.3
105.04566	2.7
105.07021	100.0
106.07364	0.4
107.04934	3.9
107.07021	0.4
113.06000	2.2
115.05455	2.0
115.07582	1.4
116.06234	0.9
117.07011	3.9
117.09122	8.5
119.04922	2.0
119.08573	8.1
121.05606	0.5
121.06497	10.5
121.08537	0.4
124.03957	0.9
127.05437	0.4
128.06207	4.7
129.06996	4.9
131.04950	0.6
131.06151	0.5
131.07069	2.5
131.08553	11.0
132.05695	1.8
133.06485	1.1
133.08597	16.8
133.10039	1.3
135.04411	0.5
135.08031	0.7
141.07007	0.3
145.06497	1.8
145.10107	0.3
147.04411	2.6
147.08046	54.1
147.10115	29.0
148.08447	0.4
148.91536	0.3
149.09604	12.4
155.06039	1.2
155.08591	0.3
157.10074	0.5
159.07993	0.4
159.10184	1.1
161.11714	3.1
163.07591	0.6
163.11209	0.6
165.07002	1.0
165.09117	1.0
165.11224	0.5
166.07779	1.0
167.08505	0.4
169.63100	0.3
173.09602	1.1
175.09683	1.9
175.11162	0.6
177.11201	5.6
178.07729	0.6
179.08591	1.0
181.10094	2.3
183.10110	0.4
191.10704	0.9
191.12787	1.9
192.09474	0.4
193.12285	0.5
194.07208	0.3
207.08069	0.5
207.11688	0.7
208.08879	0.8
209.13403	0.6
219.12160	0.3
221.09775	0.3
221.13794	1.3
222.10538	0.5
223.11148	3.3
225.12723	37.3
226.13107	0.7
227.12823	0.6
235.15092	0.5
237.12762	0.5
239.14989	0.3
247.13345	0.6
249.12746	6.2
251.14317	5.2
253.16396	0.5
255.15851	0.5
267.13824	1.7
269.15314	1.4
271.15347	0.4
275.12753	0.8
279.18320	0.4
287.05603	1.0
295.16968	1.0
297.19168	0.6
311.16370	1.4
313.17996	1.6
313.27521	1.4
315.12302	0.4
315.18069	0.8
327.17322	1.9
329.19070	1.4
339.19739	0.5
343.11908	0.5
355.20322	0.4
373.21573	10.4
374.22238	0.4
387.23630	0.4
399.22867	0.3
415.23065	0.4
417.24332	0.4
463.17670	0.6
481.18707	0.5
495.17123	0.3
537.21600	0.4
555.22510	1.2
680.28754	0.9
741.02240	0.3
775.44183	0.6
793.44812	2.7
811.45624	0.7
1153.69873	0.6
1170.71606	16.3
1171.71411	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	1171.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03421	0.2
81.07054	0.9
88.79200	0.2
91.05472	1.7
93.03392	0.2
93.07034	1.1
95.04967	0.7
95.08603	1.2
96.04484	8.6
97.02869	0.3
98.63719	0.2
100.63351	0.2
105.07027	2.2
106.02906	18.3
107.04939	0.5
107.08576	0.9
109.06530	0.5
109.10135	0.4
115.05392	0.2
115.87981	0.2
117.07004	0.7
119.04948	0.4
119.06109	0.2
119.08571	2.5
121.02863	1.4
121.06507	0.4
121.10106	1.4
123.08072	0.5
124.03942	100.0
125.02349	0.4
125.04245	0.3
127.03917	0.3
128.06219	0.6
129.06992	0.5
130.07741	0.2
131.08562	1.8
133.06548	0.3
133.10112	2.4
135.08057	0.8
137.02299	0.6
140.03401	0.2
141.06953	0.6
142.07751	0.6
143.03392	0.3
143.08545	1.3
144.09259	0.3
145.06473	0.4
145.10097	3.4
147.04391	0.5
147.08063	0.5
147.11656	0.9
149.09657	0.4
149.13266	0.2
151.03902	0.2
154.07753	0.4
155.08542	0.7
156.09334	1.4
157.10110	2.9
158.10902	0.4
159.08072	0.7
159.11681	2.5
160.08766	0.3
161.09610	0.9
161.13257	0.6
163.03870	0.2
163.07542	0.3
165.06976	0.2
166.04961	0.4
167.03400	0.5
167.08600	0.6
168.09296	0.3
169.10162	1.0
170.10919	1.2
171.08101	0.5
171.11664	1.9
172.12482	0.5
173.09602	0.7
173.13245	2.0
174.14012	0.4
175.11174	0.6
175.14749	0.3
179.03448	0.2
179.08505	0.2
180.09293	0.4
181.10112	0.8
182.11008	0.3
183.08058	0.2
183.11644	1.7
184.12517	0.2
185.09647	0.5
185.13274	1.5
187.11205	0.7
187.14798	3.9
188.12004	0.4
188.15579	0.2
189.12701	0.5
192.09384	0.2
193.10188	0.5
194.10875	0.2
195.11700	0.6
196.12390	0.3
197.13220	1.0
198.14032	1.7
199.11156	0.4
199.14830	1.1
201.12767	0.8
203.14275	1.6
207.11688	0.6
208.12474	0.3
209.13287	0.4
211.11058	0.2
211.14804	0.5
213.16428	0.2
215.14320	0.5
216.15112	0.9
217.15912	0.7
219.11748	0.2
221.13216	0.4
223.11177	0.5
223.14853	0.7
225.12671	0.3
227.10667	0.3
229.06241	1.0
229.15776	0.3
237.12804	0.3
237.16435	0.6
239.17953	0.3
241.15947	0.5
247.14870	0.4
255.06552	0.4
255.13802	0.2
255.17447	0.4
257.04562	0.3
265.15829	1.1
267.06516	2.0
271.06094	0.5
273.14944	0.2
281.08081	0.2
283.06052	1.6
283.16879	1.4
287.05374	0.2
287.16248	0.9
293.08200	0.5
293.15268	0.4
301.17963	0.8
305.08139	0.2
307.05975	0.3
307.09991	0.2
309.07651	0.3
310.17947	1.0
311.16376	5.4
321.07672	0.3
329.17422	6.8
352.19241	0.2
371.18640	0.7
387.16003	0.4
395.18509	0.2
403.15445	0.5
405.16855	0.9
421.16620	0.4
423.17963	0.4
433.16232	1.2
434.19559	4.0
449.16025	1.1
451.17490	1.4
452.20718	2.8
467.16809	1.3
494.21835	2.2
512.23047	0.6
525.21619	0.3
536.22357	0.9
537.22894	0.7
541.20386	0.5
557.22516	1.8
575.23895	6.2
617.24811	4.8
618.47870	0.2
635.25916	46.2
636.26129	0.8
642.24109	0.3
657.23987	0.5
658.23914	0.6
955.34900	0.3
973.36212	1.3
991.37128	3.5
992.33081	0.2
1009.38245	0.8
1169.06018	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	1172.7101
Annotation	Unknow
Peak:m/z	Relative Intensity
86.27862	0.1
87.04457	9.4
89.06019	33.2
91.05466	4.3
91.07613	0.2
93.07039	0.4
95.04957	6.0
102.04706	0.1
103.05460	7.6
105.04582	1.8
105.07016	100.0
106.07352	0.7
107.04944	0.3
107.07085	0.7
113.05995	0.8
115.05438	0.5
115.07543	0.5
116.06216	0.3
117.07009	0.7
117.09111	2.5
119.04955	0.2
119.08578	0.8
121.06499	2.2
128.06212	0.6
129.06982	1.2
130.08621	0.7
131.07047	2.8
131.08545	6.6
133.08588	23.3
133.10185	0.6
135.08044	0.1
135.10106	0.2
143.08623	0.1
145.06470	0.4
145.10092	0.1
147.08028	2.3
149.09576	0.7
151.09619	0.2
153.06891	0.2
155.08562	0.3
157.08588	0.3
159.10161	0.4
159.99138	0.1
161.11685	0.7
165.06990	0.4
165.09081	0.3
166.07811	0.4
169.10094	0.2
173.09550	0.7
175.09659	1.9
175.11133	0.2
177.11197	7.6
178.07794	0.3
179.08502	0.3
181.10100	0.8
186.69638	0.1
191.08647	0.2
191.10542	0.3
192.09244	0.3
193.10323	0.2
193.12405	0.2
195.11913	0.2
201.11333	0.1
203.08601	0.2
205.10146	0.2
207.08107	0.2
207.11739	0.2
208.08838	0.2
209.09660	0.2
209.11534	0.1
209.13338	0.3
219.12213	0.7
221.13800	1.5
222.10249	0.3
223.11162	0.9
223.15402	0.3
225.12712	5.4
227.12790	0.3
235.14784	0.5
237.12761	0.2
239.14717	0.3
249.12708	0.7
251.14288	17.1
252.14561	0.2
253.15932	3.1
265.16464	0.2
267.13760	0.5
267.17932	0.2
269.15451	0.7
271.15387	0.4
271.40894	0.1
277.15854	0.2
283.17520	0.5
291.28278	0.1
295.16980	0.6
309.19101	0.3
311.16388	0.6
311.20160	0.1
313.17957	0.7
327.17322	2.9
329.18951	12.6
330.18906	0.1
353.18527	0.7
355.20419	0.6
357.20624	0.2
371.19949	1.0
371.39423	0.1
373.21573	3.0
373.35287	0.1
375.21451	0.2
397.23932	0.2
415.22577	0.3
417.23917	0.2
419.23880	0.2
431.23376	0.3
433.25253	0.2
441.26740	0.2
463.26556	0.2
466.09146	0.1
477.27795	4.6
529.32135	0.2
854.81964	0.1
965.25818	0.1
1155.66333	0.5
1172.70996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1172.7085
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04455	9.1
89.06017	32.6
90.03362	0.1
91.05467	5.1
91.07574	0.1
93.07036	0.4
95.04955	6.4
98.23407	0.2
103.05456	9.0
105.04579	2.0
105.07012	100.0
106.07336	0.4
107.07054	0.6
113.05982	0.8
115.05431	0.7
115.07562	0.3
116.06230	0.5
117.06995	0.7
117.09110	2.1
119.04938	0.3
119.08606	0.6
121.06502	2.3
128.06180	0.7
129.06972	1.5
130.07779	0.2
130.08636	0.6
131.07050	2.6
131.08542	6.7
133.08585	24.3
135.10139	0.2
141.07010	0.2
145.06464	0.5
147.08015	2.7
149.09578	0.8
151.09673	0.2
153.06993	0.1
155.06075	0.2
155.08530	0.2
157.08636	0.3
157.10120	0.3
159.10158	0.5
161.11720	0.6
165.06992	0.5
165.09097	0.4
166.07771	0.4
167.08640	0.2
169.09984	0.2
173.09555	0.7
175.09662	2.3
175.11113	0.2
177.11189	8.2
178.07826	0.3
179.08519	0.6
179.12729	0.2
181.10155	0.7
183.10139	0.2
191.08592	0.3
191.10637	0.3
192.09290	0.3
193.10231	0.2
195.07977	0.2
201.11133	0.1
203.08679	0.2
207.08089	0.2
207.11742	0.2
208.08763	0.2
209.09509	0.2
209.11534	0.2
209.13396	0.2
218.10985	0.1
219.12267	0.7
221.09628	0.1
221.13797	1.5
222.10345	0.3
223.11157	1.0
223.15349	0.2
225.12709	5.9
227.12712	0.3
235.14755	0.5
237.12976	0.2
239.14737	0.3
248.95648	0.1
249.12746	0.6
251.14276	14.7
253.15881	2.9
261.50674	0.1
263.14761	0.2
265.16422	0.3
267.13779	0.5
267.17664	0.2
269.15317	0.9
271.15399	0.5
277.15756	0.1
283.17465	0.5
295.16977	0.7
309.19031	0.4
311.16516	0.5
313.18027	0.9
315.18042	0.4
327.17294	2.7
327.20609	0.2
329.18939	13.4
330.19260	0.1
353.18469	0.7
355.20395	0.6
357.20694	0.2
371.19815	0.8
373.21555	3.5
375.21533	0.2
401.23227	0.2
415.22580	0.3
419.24167	0.3
431.24030	0.1
433.25500	0.2
441.26727	0.2
463.26898	0.2
477.27789	5.5
503.96762	0.1
514.52722	0.1
549.32373	0.2
1155.67224	0.3
1172.71472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1176.6439
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04453	9.5
89.06017	22.2
91.05464	19.9
91.07589	0.2
93.07030	1.6
94.98983	0.2
95.04954	8.2
97.00529	0.2
97.06498	0.2
98.98488	0.2
102.04682	0.5
103.05450	11.8
103.07566	4.3
104.06237	0.3
104.56226	0.1
105.04546	2.7
105.07011	100.0
106.07339	0.6
107.04935	3.6
107.07043	0.4
109.00562	0.4
109.06490	0.1
111.02096	0.4
112.99995	8.1
113.05270	0.2
113.05988	2.2
115.05429	1.9
115.07557	2.4
116.06210	1.2
117.07000	3.4
117.09110	5.4
118.06537	0.2
119.04920	1.3
119.08559	7.4
120.08875	0.1
121.06487	11.8
124.99979	0.6
126.04636	0.2
127.01546	61.3
128.06203	4.8
128.07173	0.2
129.06982	5.5
130.07726	0.2
130.08603	0.3
131.04939	0.6
131.07065	2.7
131.08540	11.9
132.05685	2.4
133.06519	1.1
133.08582	15.7
133.10022	1.3
135.08046	0.9
139.01527	20.8
141.06915	0.1
142.07739	0.1
143.08580	0.2
144.05685	0.2
145.06459	1.9
145.10150	0.2
147.08025	58.8
147.10075	2.7
148.08344	0.5
149.09592	11.3
150.03180	0.1
150.09961	0.2
153.03088	65.2
154.03452	0.3
155.06003	0.8
155.08588	0.2
155.16795	0.1
157.08607	0.3
157.10071	0.3
158.07193	0.2
159.08049	0.3
159.10144	2.1
161.09630	0.2
161.11693	1.3
163.07536	0.4
163.11176	0.3
165.06964	0.9
165.09036	0.6
166.07758	0.9
167.08482	0.3
171.08017	0.3
173.09586	1.7
175.09624	1.9
175.11171	0.6
177.11189	4.7
177.12752	0.3
178.07745	0.6
179.08498	0.8
179.10336	0.1
179.12785	0.2
181.06447	0.2
181.10100	2.5
183.04141	7.2
183.10161	0.1
189.09099	0.2
191.08838	0.2
191.10667	1.1
192.09315	0.4
193.07796	0.1
193.10127	0.5
193.12242	0.4
194.07274	0.3
195.04277	0.1
195.08078	0.3
195.11696	0.3
197.05705	31.1
198.06107	0.3
201.11140	0.1
203.08531	0.2
203.12756	0.6
205.10133	0.3
206.10957	0.1
207.08034	0.4
207.11700	0.6
208.08797	0.8
209.09552	0.3
209.11615	0.3
209.13338	0.6
215.06734	0.3
219.12184	0.5
220.08887	0.2
221.09547	0.4
221.13741	0.7
222.10399	0.6
223.11137	3.6
223.14810	0.2
225.12701	30.2
226.13029	0.4
227.06758	3.1
227.12761	0.4
233.09494	0.1
234.10387	0.3
235.11090	0.3
235.14862	0.4
236.11925	0.1
237.12794	0.7
241.08308	9.1
247.11116	0.1
247.15096	0.1
249.12706	5.8
251.14317	4.2
253.16054	0.2
255.15921	0.3
257.07767	0.2
259.09317	0.7
265.16302	0.3
267.13718	1.7
269.15320	1.6
271.09363	3.5
271.15338	0.5
275.14252	0.1
277.15814	0.4
281.15430	0.1
283.17242	0.2
285.10947	3.4
293.15244	0.1
295.17023	0.7
299.18488	0.2
303.12009	0.8
311.16479	1.0
313.17865	1.1
315.08383	0.1
315.11935	2.4
315.18018	0.4
327.17181	1.4
329.13565	1.4
329.19025	1.0
339.19598	0.2
341.19681	0.2
343.21164	0.3
345.12936	0.1
346.85239	0.1
347.14639	0.8
353.18350	0.2
355.20010	0.4
359.14572	1.2
359.19257	0.1
359.20456	0.1
373.16302	0.5
373.21545	7.1
385.22202	0.1
391.17093	0.7
399.22665	0.2
403.17142	0.8
415.22650	0.4
417.18732	0.3
417.23831	0.2
435.19620	0.4
445.25674	0.2
447.19785	0.4
461.21588	0.2
465.20871	0.2
479.22241	0.6
491.22202	0.3
523.24896	0.4
535.25116	0.2
567.27448	0.3
579.27264	0.3
611.30188	0.2
655.32397	0.2
690.11438	0.2
699.34741	0.2
1056.49902	0.2
1159.62439	0.8
1176.57239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01591	2.0
51.02372	5.1
53.03944	20.9
57.43499	1.1
69.57990	1.1
69.64381	1.2
70.87038	1.1
72.08147	2.8
75.12417	1.0
76.32370	1.0
77.03927	24.8
81.03417	1.8
82.91759	1.0
87.12599	1.2
91.05480	17.3
95.04963	100.0
96.05293	2.1
98.23455	3.6
105.04511	42.6
116.05794	4.5
117.07027	1.7
118.06545	73.0
118.07344	7.4
119.06101	1.2
119.06921	2.2
119.08574	5.0
130.73700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01610	1.6
51.02383	5.4
53.03944	19.0
55.01861	1.3
55.05508	1.6
58.06596	2.2
58.97207	1.1
63.42767	1.1
69.58553	4.7
69.59462	0.9
69.84743	0.9
72.08151	5.8
77.03922	16.6
81.03419	1.4
85.60234	1.0
91.05480	16.8
95.04963	100.0
96.05254	1.7
98.23387	2.2
105.04509	45.7
117.07005	3.9
118.06538	65.4
118.07278	2.9
118.08640	5.2
119.06094	2.1
119.06819	1.3
119.08557	8.0
126.57327	1.4
130.49191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
55.05504	2.9
58.06587	2.1
59.07381	1.3
59.93097	1.5
62.02438	1.3
72.08154	16.5
75.17717	0.8
75.62474	0.8
76.92900	1.7
76.93362	5.8
91.05476	43.5
94.94389	3.0
95.04966	2.7
98.49147	0.8
101.98946	0.8
105.04513	1.8
117.05736	5.0
117.95968	1.2
118.06538	100.0
118.08578	4.1
119.06057	3.9
119.06910	2.8
119.08568	1.0
129.42534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01590	1.2
51.02379	6.9
53.03945	19.3
58.06573	1.3
61.56866	1.1
61.95026	1.1
72.08129	2.2
77.03930	21.0
78.36310	1.1
81.03402	1.8
91.05475	17.4
92.05810	1.6
95.04964	100.0
96.05260	2.1
105.04507	44.2
105.05190	2.2
116.05814	3.1
117.07043	4.4
118.06544	64.3
118.07348	6.2
119.06017	1.4
119.08566	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	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03944	0.8
55.01867	0.3
55.05510	20.2
56.05025	0.3
56.05860	0.4
57.03444	0.6
57.04549	0.3
57.05807	1.4
58.06597	4.0
59.04988	0.7
59.06931	0.3
59.07381	3.1
62.02477	0.5
63.02701	0.4
70.06594	0.5
71.42808	0.3
72.08150	100.0
73.02922	0.8
73.07873	0.3
73.08463	1.5
74.99041	0.4
76.93378	0.6
77.00610	0.8
86.03545	3.7
91.05466	0.9
95.04935	0.3
96.06602	0.3
96.36716	0.3
98.29141	0.3
101.06031	0.7
116.25758	0.3
118.05051	0.3
118.08649	9.8
118.12251	0.3
119.06068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1186.7241
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04453	3.8
87.04858	0.1
87.05003	0.1
89.06016	9.9
91.05466	4.2
91.83179	0.1
93.07038	0.3
95.04953	5.9
103.05461	7.4
103.07565	36.9
104.07920	0.2
105.04573	1.9
105.07011	100.0
105.42996	0.1
106.07342	0.7
107.04919	0.2
107.07050	0.2
107.60413	0.1
113.05989	0.8
115.05411	0.7
115.07563	0.6
116.06213	0.5
117.06995	0.5
117.09109	4.8
119.04929	0.2
119.08549	0.6
121.06487	2.2
121.08624	0.2
128.06195	0.7
129.06992	1.6
130.08630	0.1
131.07071	1.2
131.08542	6.8
132.05630	0.2
133.08578	6.9
133.10051	0.7
134.08957	0.1
135.08110	0.2
143.08517	0.1
145.06467	0.4
147.08156	2.9
147.10132	16.1
149.09581	1.1
149.77521	0.1
151.09564	0.2
153.06995	0.2
155.05978	0.1
155.08540	0.3
157.08604	0.3
157.10063	0.2
159.10130	0.5
161.11720	1.3
165.06992	0.5
165.09079	0.4
165.11221	0.2
166.07805	0.3
167.08542	0.2
169.10091	0.2
173.09669	0.5
175.09645	0.7
175.11147	0.2
177.11180	2.4
177.31636	0.1
178.07742	0.1
179.08514	0.3
181.10095	1.0
183.10133	0.2
191.08604	0.1
191.10774	0.3
191.12764	0.9
192.09352	0.3
193.10219	0.2
195.08073	0.1
196.52623	0.1
203.08554	0.2
203.12816	0.1
206.10840	0.1
207.11746	0.3
209.09624	0.2
209.11549	0.2
209.13426	0.5
211.11263	0.2
219.12105	0.2
221.09521	0.3
221.13789	0.6
223.11153	1.0
223.15259	0.2
225.12708	6.7
227.12790	0.3
235.15033	0.6
236.11887	0.2
237.12820	0.3
239.14717	0.1
249.12720	0.9
251.14281	17.1
252.14601	0.2
253.15904	4.5
265.16220	0.2
267.13818	0.6
267.17499	0.2
269.15375	1.1
271.15326	0.3
277.15878	0.2
283.17374	0.3
295.16913	0.7
297.19119	0.2
301.15869	0.2
309.19037	0.1
311.16440	0.6
312.14975	0.1
313.17999	0.9
315.17743	0.3
327.17334	3.3
329.18933	15.4
330.19315	0.4
339.19781	0.2
353.18710	1.1
355.20560	0.6
357.20673	0.2
371.19888	1.1
373.21533	3.4
375.21384	0.3
401.23239	0.3
415.22513	0.2
417.24124	0.2
419.24197	0.2
431.23669	0.3
433.25467	0.4
445.26163	0.2
477.27853	5.6
477.34775	0.3
478.28073	0.1
521.30341	0.2
820.64099	0.1
862.35864	0.2
1095.92773	0.2
1117.83398	0.1
1169.67786	0.2
1186.72351	9.7
1187.71948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1186.725
Annotation	Unknow
Peak:m/z	Relative Intensity
87.03963	0.3
87.04455	3.8
89.06020	9.2
91.05467	4.5
91.06052	0.2
93.07050	0.3
95.04960	5.8
102.04695	0.2
103.05464	6.7
103.07569	35.7
105.04573	1.7
105.07016	100.0
106.07358	0.6
107.05000	0.2
107.07005	0.2
113.06007	0.9
115.05450	0.6
115.07563	0.5
116.06242	0.5
117.07020	0.5
117.09116	4.4
119.08571	0.6
121.06500	2.5
128.06207	0.4
129.06993	1.4
130.08667	0.2
131.07111	1.2
131.08549	7.9
133.06485	0.3
133.08588	8.0
133.10059	0.9
135.08009	0.2
143.08575	0.2
145.06506	0.5
147.08200	2.5
147.10138	16.2
149.09572	0.8
153.07004	0.2
155.08630	0.3
155.58852	0.1
157.08646	0.4
157.10077	0.2
159.10191	0.4
161.11708	1.8
165.06992	0.3
165.09100	0.5
166.07747	0.3
173.09641	0.7
175.09689	0.8
175.11104	0.2
177.11194	2.6
178.07835	0.2
179.08504	0.4
181.10144	0.6
191.10710	0.5
191.12802	0.9
192.09291	0.2
193.10229	0.2
207.11766	0.2
209.13402	0.4
221.13829	0.5
223.11111	0.9
223.14857	0.2
225.12714	6.5
227.12762	0.4
235.15031	0.5
237.12996	0.2
239.14383	0.4
249.12749	0.8
251.14279	18.1
252.14664	0.2
253.15926	4.6
265.16495	0.2
267.13904	0.5
267.17960	0.2
269.15326	1.3
271.15427	0.3
277.15863	0.2
283.17648	0.2
295.16861	0.7
297.19086	0.3
301.15799	0.2
309.18845	0.2
311.16684	0.5
313.18073	0.7
315.18008	0.3
327.17325	2.8
327.20532	0.2
329.18958	15.9
330.19498	0.2
339.19568	0.2
353.18692	0.7
355.20490	0.6
357.20712	0.3
371.19916	0.9
373.21558	3.7
401.23447	0.3
415.22968	0.2
417.24258	0.2
419.24344	0.3
431.23233	0.2
433.25446	0.3
445.26038	0.2
448.67191	0.2
461.26569	0.2
463.27390	0.3
477.27805	5.9
549.32556	0.2
617.11517	0.2
718.89215	0.2
1169.69238	0.4
1186.72375	9.7
1187.72461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07850	3.6
64.20091	3.0
69.75986	4.8
69.76331	9.3
91.05435	7.9
93.08804	2.9
95.86182	3.2
101.00883	21.4
103.02421	4.3
107.05271	5.6
113.26419	3.8
116.05779	5.5
118.22817	3.4
119.01911	100.0
119.06046	5.2
120.01945	5.6
121.03500	5.0
137.02936	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02992	4.7
65.03920	8.1
65.48922	4.4
70.14362	8.8
87.10046	5.9
87.57432	3.9
91.05481	52.0
92.05029	5.2
94.08732	4.0
94.42253	3.8
99.50966	3.5
100.02493	5.3
101.00885	13.8
101.02584	7.1
101.04278	9.3
101.54069	10.0
102.02231	5.1
119.01907	100.0
119.03623	8.1
119.04948	6.0
119.06065	16.4
119.08558	4.9
119.99430	3.6
120.02026	4.7
120.05634	7.0
120.08139	7.8
121.03419	5.6
123.52493	4.5
136.31497	4.2
137.02945	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.83084	1.2
56.05037	1.4
58.02333	1.2
65.03938	7.8
77.03934	1.3
79.05475	5.2
80.61725	1.3
91.05473	100.0
92.05811	2.5
93.07038	8.2
95.04942	6.3
96.05305	2.5
103.05463	31.0
104.06230	11.4
105.04494	1.8
115.05457	4.1
116.18407	1.3
117.07001	20.8
118.07394	1.4
119.04969	2.2
119.06060	13.8
119.06792	1.8
119.08569	83.0
120.04432	1.8
120.05621	6.5
120.08100	30.4
120.08902	3.3
139.01787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
58.06628	0.8
59.63292	0.7
61.65706	0.8
65.03944	3.7
69.22558	2.9
69.22952	1.6
72.14817	0.7
73.55244	0.7
77.03928	1.2
78.04691	1.8
79.05480	7.4
80.59679	0.7
91.05478	100.0
92.05779	1.8
93.07038	5.4
95.04970	6.3
96.05305	1.8
98.22707	1.6
100.03255	0.9
102.09191	1.1
103.05466	12.3
104.06256	12.6
105.04519	3.2
107.62446	0.7
109.06507	2.8
115.05456	6.5
117.07013	37.7
118.07348	0.9
119.06064	4.9
119.06834	2.2
119.08571	78.7
120.05612	1.5
120.08119	1.7
120.08925	3.9
121.06506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.88594	1.3
53.03938	1.7
65.03925	4.3
69.93110	2.4
69.93430	1.4
74.06037	1.3
75.09160	1.3
79.05481	7.3
91.05470	100.0
92.04971	1.5
92.05813	3.0
93.07033	6.9
95.04943	3.8
101.69779	1.4
102.09174	1.7
103.05449	14.1
104.06234	10.7
105.04487	2.4
107.66879	1.0
109.06512	2.8
115.05445	7.2
117.06170	2.3
117.07007	45.9
118.07326	2.9
119.06067	9.5
119.08564	64.8
120.05560	3.4
120.08079	3.8
120.08897	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	119.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
54.04287	0.6
56.05022	0.7
60.01824	0.7
62.43157	0.7
65.03944	5.2
65.33382	0.6
69.69102	2.6
77.03928	0.8
78.04709	1.2
79.05489	7.1
91.05478	100.0
92.05819	3.0
93.07040	4.5
95.04973	5.7
95.46968	0.7
96.05292	2.2
102.09152	1.5
103.04845	1.1
103.05470	11.6
104.05677	0.9
104.06261	11.2
105.04489	2.5
106.04815	1.0
109.06522	2.1
112.90799	0.7
112.97185	0.7
115.05437	5.7
117.06178	1.5
117.07017	22.2
119.04963	2.9
119.06060	6.3
119.06836	2.0
119.08575	91.7
120.04460	0.9
120.05607	1.9
120.08126	1.7
120.08917	2.6
120.10248	1.2
121.06477	0.8
128.90082	0.7
131.06091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
65.03941	3.7
68.02301	0.4
70.14360	0.7
70.14681	0.7
78.04708	0.4
79.05489	3.6
91.05479	100.0
92.04978	0.6
92.05825	2.9
93.07047	1.5
95.04968	1.7
96.05293	1.5
103.05450	4.0
104.06260	2.4
105.04542	0.6
106.04890	0.5
109.06488	0.5
115.05462	1.0
117.07028	7.4
119.04961	0.7
119.06072	3.2
119.06842	0.9
119.08578	22.7
120.05595	1.2
120.08118	1.9
120.08916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
56.05031	0.9
65.03940	6.9
67.05507	0.7
71.42918	0.6
75.83966	0.7
76.01088	0.8
77.03951	0.7
78.04719	1.3
79.05486	7.7
91.05476	100.0
92.04995	1.7
92.05812	3.3
93.07053	4.9
95.04961	4.9
96.05312	1.1
102.04703	0.9
103.05466	16.0
104.06243	10.8
105.04512	2.7
105.92876	0.7
106.90368	0.8
109.06532	1.1
115.05445	5.5
117.07015	31.4
118.07317	1.0
119.04948	1.8
119.06052	7.1
119.08574	79.1
120.04456	2.8
120.05592	3.6
120.08085	4.5
120.08918	2.9
126.89371	0.9
131.06046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83084	1.2
56.05037	1.4
58.02333	1.2
65.03938	7.8
77.03934	1.3
79.05475	5.2
80.61725	1.3
91.05473	100.0
92.05811	2.5
93.07038	8.2
95.04942	6.3
96.05305	2.5
103.05463	31.0
104.06230	11.4
105.04494	1.8
115.05457	4.1
116.18407	1.3
117.07001	20.8
118.07394	1.4
119.04969	2.2
119.06060	13.8
119.06792	1.8
119.08569	83.0
120.04432	1.8
120.05621	6.5
120.08100	30.4
120.08902	3.3
139.01787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.13968	0.5
53.03940	1.5
55.65032	0.5
61.56370	0.5
63.19524	0.5
65.03944	2.9
77.03924	1.4
78.04288	0.7
78.04704	1.6
79.05488	8.5
80.22419	0.7
86.05383	0.5
91.05472	100.0
92.05802	2.4
93.07032	7.3
95.04968	6.7
96.05298	2.1
101.57917	0.5
102.04672	0.9
102.09179	1.3
103.05460	14.0
104.06249	13.3
105.04489	3.6
106.04870	0.9
109.06515	1.6
112.42178	0.5
115.05436	6.9
117.07008	37.5
118.07292	1.2
119.06200	3.8
119.06828	1.9
119.08568	86.8
120.05612	0.8
120.08118	1.0
120.08919	3.6
120.10260	1.1
120.80190	0.6
121.06503	1.4
131.06094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.43623	0.8
52.53360	0.6
53.03943	1.0
55.67387	0.7
65.03934	3.3
73.15225	0.8
77.03917	0.8
78.04681	1.1
79.05492	4.4
91.05476	100.0
92.04993	2.1
92.05804	2.6
93.07041	3.4
95.04935	3.9
96.05271	1.0
103.05463	8.9
103.44237	0.7
104.06251	8.7
105.04521	1.3
109.06445	0.9
115.05453	3.0
117.07016	14.7
119.04972	1.0
119.06073	5.0
119.08574	47.9
120.04517	1.6
120.05569	2.4
120.08091	5.3
120.08916	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	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70404	0.5
54.58761	0.5
65.03944	3.7
69.50298	1.6
79.05500	3.3
84.62173	0.6
86.03053	0.5
91.05473	100.0
92.04967	0.7
92.05807	2.7
93.07067	0.6
95.04954	1.2
96.05324	0.8
98.22727	0.7
103.05443	4.5
104.06247	2.0
115.05434	1.2
117.07007	7.1
119.04936	0.7
119.06042	2.3
119.06837	1.4
119.08569	20.5
120.04444	0.9
120.05582	0.9
120.08101	1.4
120.08896	0.6
121.89819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72129	0.9
53.03955	1.5
53.65184	1.2
65.03925	3.6
79.05492	7.0
91.05473	100.0
92.04987	1.3
92.05808	2.1
93.07042	7.8
95.04978	6.9
96.05273	3.0
102.09193	1.9
103.05460	13.2
104.06258	12.5
105.04517	2.3
115.05446	4.8
116.88041	1.0
117.07011	36.7
118.07338	1.5
119.06110	11.1
119.06818	2.4
119.08572	76.2
120.05615	5.7
120.08081	5.3
120.08880	2.3
120.22902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.09360	0.6
53.03939	1.1
55.74695	0.5
65.03934	3.2
77.03917	1.9
78.04259	0.6
78.04709	1.7
79.05489	6.3
84.89674	0.6
91.05473	100.0
92.05804	2.6
93.07039	8.8
95.04967	6.7
96.05297	1.7
103.05461	15.8
104.06243	13.4
105.04523	3.2
106.04787	1.0
109.06497	1.7
115.05449	8.1
117.07009	41.3
118.07350	1.0
119.06047	1.9
119.06833	1.9
119.08570	92.1
120.08899	3.9
121.06508	1.1
131.06044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.01353	0.9
58.34881	0.9
65.03918	2.9
78.04704	1.6
79.05474	6.4
80.58569	1.0
86.44150	0.9
91.05472	100.0
92.05800	2.2
93.07015	6.4
95.04961	6.8
96.05294	2.8
102.09167	4.3
103.05458	17.0
104.06246	12.6
105.04492	2.8
106.04823	1.4
108.16736	0.9
109.06491	1.4
115.05453	7.2
117.07015	39.0
117.81665	1.0
118.07360	1.2
119.06059	9.2
119.08566	95.3
120.05561	4.6
120.08087	4.0
120.08900	3.4
120.10193	2.1
131.06073	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03926	1.2
56.83180	0.8
61.39531	0.8
65.03941	4.5
69.10915	2.3
69.11341	3.8
77.03919	1.5
78.04684	1.0
79.05485	6.9
91.05475	100.0
92.04930	0.8
92.05810	2.4
93.07054	7.2
95.04964	5.4
96.05287	0.9
103.05461	16.5
104.06252	10.7
105.01998	0.9
105.04521	3.0
109.06552	0.9
109.24624	0.7
112.99216	0.8
115.05451	7.0
117.07011	43.8
118.07348	1.8
119.04913	1.0
119.06061	4.1
119.08569	82.0
120.05621	1.1
120.08897	3.4
121.06464	0.8
131.06064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1192.654
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04451	3.9
89.06013	9.4
91.05460	4.7
93.07050	0.2
94.99001	0.1
95.04949	5.9
97.00542	0.1
98.98430	0.1
102.04654	0.1
103.05452	7.5
103.07565	2.2
103.08260	0.1
104.06255	0.1
105.04602	1.8
105.07005	100.0
106.07343	0.6
107.04922	0.2
107.07060	0.1
109.00478	0.2
111.02040	0.2
112.99993	4.8
113.05982	0.9
115.05417	0.7
115.07553	1.1
116.06210	0.6
117.06989	0.8
117.09107	2.7
118.06515	0.1
119.04931	0.2
119.08532	0.8
121.06490	2.0
124.99976	0.3
127.01540	35.3
128.01845	0.1
128.06161	0.5
129.01968	0.1
129.06970	1.7
130.07748	0.1
130.08582	0.1
131.04869	0.1
131.07095	0.9
131.08537	7.2
132.05658	0.1
133.06502	0.2
133.08577	6.6
133.10043	0.8
135.08043	0.2
135.10139	0.1
139.01521	11.5
141.06932	0.1
142.07758	0.1
143.08527	0.1
145.06476	0.5
145.10097	0.2
147.08025	2.5
147.10107	1.4
149.09575	0.8
150.03117	0.1
151.09613	0.1
153.03082	37.1
154.03419	0.1
154.07730	0.1
155.06004	0.1
155.08470	0.2
157.08574	0.2
157.10088	0.3
158.07201	0.1
159.08096	0.1
159.10149	1.1
159.11526	0.1
161.09637	0.1
161.11691	0.9
163.07428	0.1
163.11118	0.1
165.06982	0.5
165.09047	0.3
166.07703	0.4
167.08572	0.2
168.04224	0.1
169.10080	0.1
171.08098	0.1
173.09586	0.9
175.09613	0.6
175.11143	0.3
177.11180	1.9
177.12744	0.1
178.07803	0.3
179.08505	0.4
179.12794	0.1
180.09247	0.1
181.06493	0.1
181.10091	0.7
183.04137	3.8
183.10078	0.1
183.11586	0.1
190.07707	0.1
191.08553	0.2
191.10608	0.3
191.12558	0.1
192.09319	0.2
193.10136	0.2
193.12222	0.1
194.07137	0.1
194.10854	0.1
195.08031	0.1
195.11826	0.1
197.05698	16.5
198.06088	0.1
201.11192	0.1
203.08521	0.2
203.12791	0.3
204.09390	0.1
205.10078	0.2
206.10744	0.0
207.07993	0.2
207.11690	0.3
208.08775	0.1
209.09557	0.1
209.11572	0.2
209.13322	0.3
211.11298	0.1
211.13260	0.1
215.06717	0.2
217.10054	0.1
217.12172	0.1
218.10872	0.1
219.08032	0.1
219.12090	0.2
220.08745	0.0
221.09520	0.2
221.13754	0.3
222.10318	0.2
223.11118	1.2
223.14882	0.1
225.12691	5.4
226.13075	0.1
227.06750	1.7
227.12733	0.3
233.09496	0.1
233.13235	0.1
235.11119	0.1
235.15004	0.4
236.11876	0.1
237.12772	0.2
239.14346	0.3
241.08299	4.9
242.46696	0.0
247.11143	0.1
247.15369	0.1
249.12704	0.8
251.14256	17.0
252.14598	0.3
253.15881	3.9
254.16095	0.1
255.15825	0.1
257.07797	0.1
259.09387	0.4
261.16254	0.1
265.16248	0.1
267.13730	0.6
267.17401	0.2
269.15298	0.8
271.09381	1.8
271.15231	0.3
277.15820	0.2
283.17465	0.1
285.10907	1.6
293.15265	0.1
295.16852	0.5
297.17844	0.1
299.18539	0.1
301.10419	0.1
301.15903	0.1
303.11957	0.5
309.18906	0.1
311.16324	0.4
312.14899	0.0
313.18039	0.6
315.11954	1.4
315.17462	0.3
325.15747	0.2
327.11694	0.1
327.17346	3.0
329.13596	0.5
329.18921	13.3
330.19183	0.1
333.12915	0.0
339.19412	0.1
343.21280	0.0
347.14462	0.5
353.14838	0.1
353.18881	0.8
355.20465	0.5
357.20547	0.1
359.14618	0.7
359.20514	0.1
371.19913	0.9
373.16220	0.2
373.21512	2.8
375.21460	0.2
383.21634	0.0
391.17297	0.4
399.22333	0.1
401.23325	0.2
403.17084	0.4
405.22012	0.1
415.22488	0.2
417.18558	0.2
417.24191	0.2
419.24255	0.2
431.23596	0.3
433.25241	0.2
435.19849	0.4
445.25833	0.1
447.19809	0.3
461.20987	0.1
461.26822	0.1
463.26764	0.1
477.27814	3.9
478.27954	0.1
479.22427	0.3
491.22314	0.2
505.29486	0.1
507.29089	0.1
523.24902	0.2
535.24835	0.2
567.26990	0.1
579.27875	0.0
610.27655	0.0
611.29755	0.1
655.32581	0.1
699.34937	0.1
925.44519	0.1
1071.56909	0.3
1175.62659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04978	0.1
85.02885	0.1
86.09713	0.1
91.05465	0.9
93.07042	0.6
95.04961	2.7
95.08577	0.6
96.04482	6.6
97.02877	0.2
97.06514	0.1
99.04428	0.1
103.05413	0.1
105.03381	18.0
105.04515	0.8
105.07008	1.1
106.02913	1.2
106.03610	0.1
107.04967	0.2
107.08568	0.7
109.06519	0.3
109.10133	0.1
111.04423	0.3
111.08096	0.1
115.05466	0.2
117.06987	0.3
119.04954	0.3
119.05985	0.1
119.08567	1.5
121.02887	0.1
121.06486	0.3
121.10143	0.7
123.08063	0.1
124.03938	100.0
124.23905	0.1
125.04257	0.5
125.05933	0.1
127.03893	0.4
128.06171	0.3
129.07030	0.2
130.07806	0.1
131.08563	0.9
133.06470	0.2
133.10127	1.0
134.07262	0.2
135.04475	0.1
135.08043	0.2
135.11670	0.1
137.06033	0.1
137.09642	0.1
140.03391	0.4
141.07005	0.2
142.07756	0.3
143.08562	0.6
144.09303	0.1
145.06558	0.1
145.10097	1.5
145.11197	0.1
147.04385	1.1
147.08051	0.2
147.11661	0.6
148.04762	0.2
149.09610	0.2
151.07483	0.1
153.07051	0.1
154.07716	0.1
155.08530	0.5
156.09317	0.4
157.10121	1.2
158.10851	0.2
159.08061	0.2
159.11664	1.2
160.12483	0.1
161.09634	0.3
161.13246	0.2
163.07532	0.1
165.07033	0.1
167.07254	0.1
167.08565	0.3
168.09338	0.1
169.10115	0.7
170.10904	0.5
171.08070	0.1
171.11656	0.9
172.12477	0.3
173.09589	0.5
173.13235	1.1
175.07500	0.1
175.11215	0.3
175.14832	0.1
177.05515	0.1
177.09064	0.1
178.07736	0.1
179.08537	0.2
180.09508	0.1
181.10106	0.4
182.10910	0.2
183.11670	1.1
184.07439	0.4
184.12529	0.2
185.09573	0.2
185.13263	0.7
186.10410	0.1
187.07590	0.1
187.11162	0.5
187.14806	2.0
188.11993	0.3
188.15532	0.1
188.97824	0.1
189.09201	0.1
189.12671	0.1
192.09358	0.1
193.08577	0.2
193.10152	0.5
194.10971	0.2
195.11656	0.5
196.12489	0.2
197.09633	0.2
197.13225	1.3
198.14008	0.6
199.11179	0.2
199.14813	0.2
201.09161	0.2
201.12675	0.4
203.10696	0.2
203.14275	1.0
205.08476	0.1
205.10144	0.1
205.15904	0.2
206.10852	0.1
207.11644	0.6
208.12540	0.1
209.13263	0.6
210.13983	0.1
211.11166	0.3
211.14735	0.6
213.12737	0.1
213.16327	0.1
215.10754	0.3
215.14273	0.8
216.15164	0.3
217.12256	0.1
219.11739	0.2
220.12447	0.3
221.13258	0.3
223.11252	0.1
223.14789	0.4
225.12755	0.2
225.16341	0.5
227.14375	0.1
228.06502	0.6
229.12282	0.1
229.15895	0.3
231.10229	0.3
234.14041	0.2
235.11261	0.1
235.14757	0.5
236.15549	0.1
239.10617	0.2
239.14314	0.1
239.17953	0.2
240.10051	0.1
241.12180	0.1
241.19530	0.1
247.13351	0.3
249.12894	0.1
249.13809	0.1
249.16360	0.8
251.14192	0.1
251.18005	0.2
253.12358	0.3
253.15799	0.4
255.13875	0.1
257.11771	0.2
257.15372	0.2
257.19077	0.1
262.13623	0.1
266.12845	0.1
267.13867	0.2
267.17474	0.6
271.13525	0.1
271.16858	0.8
275.12811	0.2
276.12885	0.1
277.15836	0.4
280.14609	0.1
283.16852	0.1
285.18405	0.8
295.16907	4.6
296.17142	0.1
307.16974	0.1
309.18399	0.1
313.17932	7.3
314.18417	0.1
331.19000	0.4
333.13403	0.1
335.25940	0.2
336.26401	0.1
343.11899	0.2
348.16052	0.1
355.18958	0.6
373.20132	0.1
417.20691	0.3
418.20068	0.2
436.21146	1.5
454.22296	0.2
463.17459	0.2
464.18033	0.1
478.22205	0.1
481.18738	0.2
496.23502	0.3
519.29193	0.1
521.17719	0.7
535.15289	0.1
540.23718	0.2
555.21893	0.2
556.22455	0.2
558.24786	1.6
558.33099	0.1
563.76678	0.1
575.25079	0.1
576.25952	0.2
600.25903	0.8
618.26880	34.2
619.27209	0.7
706.39172	0.1
739.24786	0.1
798.41986	0.1
815.43146	0.2
816.43976	0.5
834.44006	0.1
1017.47919	1.9
1193.51001	1.5
1194.50330	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	1198.7098
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04460	100.0
88.04804	0.2
89.06023	8.6
91.05472	9.0
92.05732	0.1
93.07052	0.7
95.04958	3.8
102.04700	0.1
103.05462	5.1
104.06219	0.2
105.04555	1.4
105.07021	46.1
106.07346	0.2
107.04954	1.6
107.07055	0.2
107.29554	0.1
113.06011	0.9
115.05441	0.8
115.07569	0.5
116.06226	0.5
117.07019	1.3
117.08317	0.2
117.09124	3.3
119.04940	0.7
119.08571	3.3
121.06495	5.4
127.05450	0.1
128.06215	2.0
129.06999	2.1
130.08607	0.2
131.04941	0.3
131.07031	6.0
131.08562	6.1
132.05687	0.9
133.06526	0.4
133.08592	6.7
133.10059	0.6
135.08052	0.3
135.10080	0.1
141.06985	0.2
143.08582	0.1
145.06473	0.9
145.10129	0.2
147.08035	26.7
149.09601	5.3
153.07109	0.1
155.06070	0.4
155.08557	0.1
157.08633	0.2
157.10161	0.2
158.39902	0.1
159.08078	0.1
159.10121	0.5
161.11755	0.9
163.07544	0.2
163.11156	0.2
165.07024	0.4
165.09108	0.3
166.07793	0.3
171.08025	0.1
173.09619	0.6
175.09677	2.1
175.11218	0.2
176.19771	0.1
177.09023	0.1
177.11212	2.2
177.12752	0.1
178.07808	0.3
179.08578	0.4
179.12672	0.1
181.10098	1.0
189.09119	0.2
191.08968	0.1
191.10596	0.4
192.09386	0.2
193.10564	0.3
193.12289	0.2
195.11786	0.1
197.09644	0.1
201.10994	0.1
203.12698	0.1
205.14487	0.1
207.08124	0.1
207.11742	0.3
208.08740	0.4
209.09831	0.1
209.11702	0.2
209.13277	0.2
219.12254	5.4
221.09625	0.2
221.13788	0.5
222.10335	0.2
223.11171	1.3
223.15361	0.1
225.12721	17.3
226.13159	0.2
227.12726	0.2
233.13367	0.1
234.10315	0.1
235.11203	0.1
235.15150	0.1
236.12022	0.1
237.12804	0.5
239.14586	0.1
249.12727	2.4
251.14323	2.5
255.16110	0.2
263.14874	0.9
265.16656	0.1
267.13828	0.6
269.15353	0.8
271.15552	0.1
277.15848	0.1
279.15817	0.1
283.17615	0.1
295.16916	0.3
299.18658	0.1
309.18988	0.2
311.16550	0.5
311.19727	0.1
313.17929	0.6
315.18088	0.2
316.39844	0.1
327.17233	0.6
329.18930	0.7
339.19720	0.2
355.20047	0.1
373.21594	5.2
385.22137	0.1
399.22910	0.1
415.22794	0.2
445.25714	0.1
533.31659	0.1
637.47028	0.1
925.53882	0.1
1181.67664	0.3
1198.71008	8.8
1199.70532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1198.7088
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04453	100.0
88.04778	0.3
89.06014	8.9
91.05464	8.9
93.07025	0.8
95.04954	3.9
102.04689	0.2
103.05451	5.2
104.06255	0.2
105.04546	1.3
105.07011	46.4
106.07333	0.4
107.04240	0.1
107.04939	1.8
107.07036	0.2
113.05983	0.8
115.05418	0.9
115.07560	0.4
116.06204	0.5
117.06187	0.1
117.07001	1.6
117.09119	2.9
119.04923	0.7
119.08558	3.2
121.06487	5.4
127.05412	0.2
128.06200	2.0
129.06984	2.8
130.08597	0.2
131.04906	0.3
131.05972	0.1
131.07025	5.4
131.08556	5.5
132.05679	0.9
133.06497	0.4
133.08583	6.6
133.10040	0.6
135.08052	0.5
135.10172	0.1
136.49178	0.1
137.76541	0.1
139.26009	0.1
141.06944	0.1
142.07755	0.1
143.08549	0.1
144.05675	0.1
144.44865	0.1
145.06461	0.9
145.10149	0.1
147.08023	28.7
148.08374	0.2
149.09590	6.2
151.09607	0.1
155.06035	0.4
155.08527	0.1
157.08612	0.2
157.10054	0.1
159.08044	0.1
159.10161	0.5
159.11487	0.1
161.09604	0.2
161.11691	0.9
163.07512	0.2
163.11165	0.3
165.07018	0.5
165.09122	0.3
166.07716	0.4
167.08604	0.1
171.08078	0.1
173.09558	0.7
175.09642	1.9
175.11084	0.2
177.11194	2.5
177.12749	0.1
178.07814	0.2
179.08528	0.3
181.10081	1.5
183.10165	0.1
189.09190	0.1
191.10605	0.5
192.09427	0.2
193.10396	0.2
193.12277	0.3
194.07216	0.1
195.11739	0.1
205.10095	0.1
207.08073	0.2
207.11708	0.4
208.08792	0.5
209.09711	0.1
209.11568	0.1
209.13422	0.2
219.12238	5.1
220.08832	0.1
221.09613	0.2
221.13638	0.4
222.10394	0.4
223.11142	1.7
223.15274	0.1
225.12704	16.5
226.13123	0.2
227.12694	0.1
234.10405	0.2
235.11150	0.1
235.15016	0.2
237.12827	0.4
239.14908	0.1
249.12704	2.6
251.14304	2.4
251.16832	0.1
255.15982	0.1
263.14822	0.7
265.16495	0.2
267.13757	0.5
269.15286	0.9
271.15417	0.2
277.15970	0.2
281.15668	0.1
283.17575	0.2
293.15399	0.1
295.16959	0.4
299.18539	0.2
307.17410	0.2
309.19098	0.1
311.16470	0.5
311.19858	0.1
313.17883	0.6
315.18060	0.2
327.17328	0.9
329.18979	0.6
339.19431	0.2
351.20377	0.1
355.20477	0.1
373.21536	4.3
399.23193	0.1
401.23080	0.1
415.22726	0.2
417.24030	0.2
445.25781	0.2
638.69019	0.1
880.62891	0.1
1006.58813	0.1
1166.50061	0.2
1181.67505	0.2
1198.70862	7.2
1199.70300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0447
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
61.66300	0.2
65.03936	40.4
66.04267	0.7
70.47166	0.4
92.04996	100.0
93.05325	2.4
103.05482	0.5
110.06034	2.9
115.71868	0.2
120.04456	50.0
120.08094	0.6
121.02872	0.2
121.04785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.63377	0.7
65.03938	4.7
71.43043	0.7
77.03942	1.7
79.05494	2.2
91.05470	12.2
92.04993	2.9
92.05800	1.0
93.06444	1.0
93.07037	18.8
93.07606	1.2
94.06562	0.8
95.04964	7.7
103.05458	90.0
104.05790	2.8
105.04485	3.1
105.06985	0.8
111.04444	1.3
118.06544	1.7
119.07331	0.7
120.04448	2.4
120.05607	2.2
120.08092	100.0
121.02871	3.3
121.03987	2.2
121.06502	1.2
121.08437	3.3
121.10111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
50.01589	0.7
51.02377	2.3
53.03944	8.5
54.05682	0.6
55.00959	0.7
55.01869	2.0
65.03934	3.9
67.05489	1.1
69.90498	1.4
69.90871	1.2
70.24060	0.7
77.03930	10.3
78.04713	1.3
79.05483	4.3
81.03409	1.4
89.30500	0.6
91.05480	50.0
92.05810	1.9
93.07043	24.4
94.07388	0.8
95.04966	42.4
96.05306	1.0
103.05476	11.1
105.04514	18.6
105.07017	4.3
107.07328	5.6
110.38200	0.9
121.02840	3.1
121.06503	100.0
121.10184	1.5
122.06027	0.9
122.06851	2.5
122.09663	7.3
132.95363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01594	0.8
50.24947	0.4
51.02365	2.5
53.03947	10.2
55.01877	2.1
56.96558	0.8
57.03423	0.7
59.45251	0.4
65.00632	1.1
65.03934	1.8
66.03480	0.5
71.31183	0.5
77.03929	12.6
78.04689	0.7
78.50079	0.4
79.05481	1.2
81.03432	1.1
81.95135	0.5
82.35866	0.6
91.05479	71.1
92.05824	2.0
93.04532	3.4
93.07043	64.2
94.04165	0.8
94.07389	1.7
95.04966	58.2
96.05299	0.9
102.04691	2.1
103.05464	100.0
104.05787	3.9
105.04513	26.0
105.07055	0.6
106.04820	1.1
121.01687	0.6
121.04011	4.0
121.06502	94.8
122.06019	1.0
122.06864	3.7
139.08708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02367	1.4
53.03944	12.7
55.01866	2.4
65.03939	17.0
67.05506	4.0
69.36346	1.2
71.42836	1.3
73.05559	1.2
77.03934	9.1
78.04712	4.6
79.05488	13.3
81.03434	1.4
89.81142	1.3
91.05476	79.1
92.05807	3.8
93.04510	3.0
93.07040	65.8
94.06536	2.3
94.07376	3.0
95.04961	57.0
96.05254	2.0
102.04711	2.1
103.05464	90.5
104.05799	4.5
105.04511	25.3
105.05186	1.9
105.07026	17.6
106.04203	1.7
106.06524	1.7
107.07318	24.5
111.04427	4.6
121.02866	20.0
121.03985	13.0
121.06499	100.0
121.07537	4.3
121.08407	3.7
121.10080	6.7
122.06049	4.2
122.06835	3.7
122.09660	33.6
123.08041	1.6
128.96007	1.8
129.53165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01588	0.7
51.02359	1.3
53.03945	6.5
55.05507	27.2
56.05854	0.7
65.03926	2.5
65.54053	0.7
66.04267	0.8
67.05500	14.0
67.30578	0.7
77.03925	4.7
79.05487	98.7
80.05814	2.2
80.06277	2.1
81.03427	0.9
81.07043	2.7
91.05474	36.3
93.07037	100.0
94.07391	2.1
95.04961	32.3
101.00826	0.8
103.05444	5.3
105.04517	13.8
105.07022	19.0
106.07799	2.4
107.07328	1.8
119.08577	3.5
120.44579	0.9
121.02873	2.1
121.03970	1.9
121.06541	3.7
121.07628	1.0
121.10133	22.2
121.10985	1.4
122.06038	1.1
122.09653	2.9
123.08047	1.2
135.34872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01591	0.9
51.02373	4.5
53.03944	3.7
55.01868	4.7
55.05501	1.2
62.46585	0.4
65.03928	3.6
67.05502	21.7
68.05006	0.9
69.08455	3.0
77.03926	11.7
78.03442	1.9
78.04676	0.7
79.05490	2.8
80.05013	22.0
81.03405	0.8
81.07048	10.9
82.04879	0.5
94.05299	0.5
95.04964	28.9
95.06095	1.4
95.08595	3.2
96.04488	14.6
96.05615	0.6
100.02487	1.5
101.00880	2.3
105.03395	12.8
105.04497	5.8
105.07024	0.9
106.02941	0.9
106.03681	0.5
106.07329	0.9
107.07394	0.4
108.05725	1.1
108.07670	1.6
111.05554	1.7
112.03961	6.3
118.03495	1.1
119.01917	14.9
121.06520	0.5
121.10136	0.4
123.04427	100.0
123.05527	29.4
123.08058	4.6
123.09177	2.9
123.10011	2.1
123.11695	2.0
124.03947	59.7
124.07594	1.0
124.08558	0.6
137.02937	8.7
139.05040	1.0
140.03406	2.9
142.03499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02370	4.5
53.03934	5.1
55.01864	4.3
65.03938	8.4
67.05154	3.4
67.05499	36.7
68.05030	3.5
77.03928	11.3
78.03440	4.0
80.05012	39.0
81.07047	7.5
88.62714	1.6
90.18584	2.0
94.33542	1.8
95.04958	57.0
95.08596	2.7
96.04488	21.4
101.00871	4.0
105.03413	10.0
105.04530	9.0
106.02879	1.9
111.05575	2.9
112.03967	6.5
119.01904	19.9
123.04424	100.0
123.05537	72.3
123.06293	2.2
123.08064	6.3
123.09149	3.5
123.11696	2.1
124.03940	68.6
124.07613	2.6
137.02959	9.4
139.05061	3.0
140.03412	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88516	0.3
82.01453	0.3
82.99824	2.3
96.34540	0.1
100.02462	0.5
100.64751	0.1
101.00867	31.0
102.00913	1.0
102.02264	0.2
118.03510	0.2
119.01904	100.0
120.01977	3.4
121.02339	0.4
124.02452	0.6
124.03921	0.7
137.02937	26.6
138.03003	0.9
139.03326	0.2
142.03481	4.5
143.03674	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00631	0.2
63.63726	0.2
70.64702	0.3
70.86986	0.2
80.05022	0.4
82.01453	0.2
82.99821	2.8
83.37328	0.2
95.42630	0.2
96.04508	0.3
100.02477	0.6
101.00874	29.6
101.02603	0.5
102.00944	1.0
102.02169	0.2
119.01913	100.0
120.01981	3.2
121.02338	0.4
124.02438	0.4
124.03935	1.4
137.02948	25.3
138.03011	1.0
138.59999	0.1
142.03493	3.8
143.03595	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	124.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53043	0.8
59.35707	0.6
70.06033	1.3
70.06381	1.7
73.92657	0.8
80.05001	1.6
81.04533	1.2
82.05303	5.8
82.99827	1.7
96.72126	0.6
101.00880	26.8
102.00964	0.9
109.03336	0.8
109.04004	3.3
110.04778	31.8
110.05529	1.7
115.02389	1.1
119.01912	100.0
120.02013	2.9
121.02303	0.8
124.03891	2.6
124.07616	0.8
125.07104	17.9
133.03487	0.8
137.02956	24.3
138.03075	1.5
142.03455	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	124.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02618	0.2
60.00652	0.3
68.05029	0.5
69.04553	0.8
69.05397	0.2
70.50408	0.5
78.03450	0.5
80.05014	3.6
81.04527	0.6
82.05316	3.5
82.06575	0.3
82.99836	1.7
84.04539	0.2
85.18372	0.3
96.04485	2.9
96.05609	1.1
96.06879	0.4
96.08141	0.2
97.02898	0.3
97.04006	0.5
98.06060	0.4
100.02478	0.8
101.00874	22.7
101.02586	0.8
102.00950	0.6
102.02213	0.3
109.04021	2.6
110.04779	19.7
112.03970	2.2
115.02390	0.3
118.03563	0.5
119.01913	100.0
120.01989	4.2
121.00919	0.2
121.02378	0.4
124.02460	0.5
124.03948	16.2
124.05010	1.0
124.07595	0.7
125.04350	0.4
125.06178	0.5
125.07109	10.7
133.03461	0.2
137.02950	37.0
138.03072	1.4
140.03418	1.0
142.03499	4.0
142.04550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0386
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03945	0.8
68.05034	0.7
69.58211	1.6
78.03441	4.1
80.05013	21.3
80.89156	0.4
88.49532	0.3
96.04487	12.8
101.00875	1.6
112.03931	0.8
119.01911	5.6
122.02402	0.4
124.03944	100.0
124.63654	0.3
125.04285	1.4
137.02995	1.7
140.03406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0391
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03941	0.7
68.05010	1.1
70.04141	0.4
70.04485	0.3
78.03152	0.2
78.03471	2.5
79.05502	0.2
80.05018	21.1
81.05347	0.7
82.06584	0.3
83.06116	0.3
96.04491	16.9
96.08157	0.3
97.04817	0.4
100.02438	0.3
101.00867	3.8
108.86546	0.2
112.03962	3.3
119.01918	28.1
120.02026	0.8
124.03951	100.0
124.07574	1.8
124.08565	0.7
125.04305	1.5
125.07072	0.4
137.02957	14.5
138.02989	0.3
140.03401	2.0
141.89450	0.3
142.03508	2.7
142.51070	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	124.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03944	0.7
66.22449	0.1
68.05011	0.6
69.84174	0.2
69.84547	0.2
72.66436	0.1
78.03445	2.4
78.25991	0.1
79.04230	0.2
79.05474	0.2
80.05010	20.7
81.04700	0.2
81.05346	0.6
81.07047	0.3
82.07392	0.2
94.02956	0.2
95.66552	0.1
96.04482	16.6
96.08112	0.1
97.04816	0.3
98.23383	0.2
101.00830	1.2
112.03950	1.1
119.01907	9.0
120.01984	0.3
122.02244	0.1
124.03938	100.0
125.03509	0.2
125.04282	1.9
137.02945	4.3
138.03023	0.2
140.03404	1.3
142.03458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0392
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03948	0.6
68.05029	0.6
69.04555	0.1
71.77531	0.1
78.03448	2.4
78.39239	0.1
79.04211	0.2
80.05013	20.8
81.05350	0.4
96.04488	15.1
96.08150	0.2
97.04855	0.3
98.22644	0.3
101.00861	1.6
107.06108	0.2
112.03959	2.0
119.01913	10.7
120.02006	0.3
122.02412	0.2
124.03946	100.0
125.03513	0.2
125.04288	1.8
125.07140	0.2
137.02953	4.9
138.03069	0.2
140.03423	1.8
142.03429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05019	0.4
70.71312	0.6
78.03455	3.5
80.05011	17.2
96.04483	12.4
101.00881	1.5
106.60145	0.4
112.03944	0.7
119.01910	7.2
124.03943	100.0
125.04296	2.1
137.02921	1.7
140.03427	1.2
142.03415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0393
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03933	0.9
58.65649	0.3
59.61505	0.3
68.05010	0.9
78.03442	2.6
80.05013	20.7
81.05335	0.7
81.07047	0.5
82.99813	0.4
96.04485	16.7
97.04819	0.5
98.22607	0.5
99.70677	0.3
101.00861	3.3
107.06065	0.4
112.03972	3.0
119.01910	24.6
120.01988	0.9
124.03942	100.0
124.07564	1.1
125.04300	1.8
125.07153	0.5
137.02946	13.9
138.03033	0.7
140.03423	2.8
142.03487	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	124.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90271	0.1
51.02387	0.2
52.12083	0.2
52.25533	0.1
53.03931	0.9
60.10078	0.1
68.05025	0.6
69.56126	0.6
78.03447	4.5
80.05011	21.5
81.05344	0.5
82.05327	0.5
82.36700	0.1
82.99828	0.3
84.74949	0.1
96.04485	13.7
101.00867	3.7
109.03984	0.3
110.04778	2.9
112.03953	0.6
119.01909	13.0
119.91090	0.1
120.02060	0.5
122.02365	0.3
124.03942	100.0
125.04288	1.6
125.07106	1.6
125.10751	1.1
137.02945	3.3
140.03412	0.7
142.03487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0395
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
51.87195	0.2
53.03935	0.9
68.05027	0.6
77.79654	0.3
78.03452	5.5
80.05010	22.2
82.99840	0.9
94.75906	0.2
96.04488	13.4
97.04791	0.3
97.07651	0.3
101.00868	11.0
102.00959	0.4
106.02942	0.3
110.04710	0.3
119.01911	31.2
120.01971	1.2
122.02348	0.3
124.03942	100.0
125.04283	1.8
125.10734	1.9
126.06107	0.2
137.02945	7.3
138.02991	0.3
140.03409	0.8
142.03485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0392
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
51.02368	0.1
52.01907	0.1
52.03158	0.1
53.03930	0.5
68.05026	0.6
69.86998	0.2
78.03447	3.9
79.03802	0.1
79.04230	0.2
80.05010	21.6
81.05362	0.4
96.04484	13.6
97.04828	0.3
98.23343	0.1
101.00868	0.4
106.02920	0.2
112.03914	0.3
119.01908	1.6
120.02007	0.1
122.02379	0.3
124.03938	100.0
125.04280	2.1
137.02951	0.6
140.03397	0.8
142.03494	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	124.0393
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03940	0.9
68.05000	0.3
69.84003	0.5
78.03446	3.9
78.88998	0.3
79.91689	0.3
80.05011	20.9
81.05353	0.5
96.04487	13.0
98.01516	0.3
101.00854	0.6
102.45379	0.2
112.03996	0.5
119.01923	2.0
122.02387	0.4
124.03942	100.0
125.04269	1.3
137.02904	0.4
140.03427	1.0
144.49879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0394
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
51.02398	0.2
52.01903	0.2
53.03943	0.6
60.03952	0.1
67.78428	0.1
68.05013	0.8
69.03399	0.2
69.27099	0.8
78.03445	2.0
79.04247	0.1
79.05485	0.4
80.05010	19.9
81.05352	0.5
82.06584	0.4
96.04484	15.1
96.08118	0.2
97.04825	0.3
101.00864	2.5
106.02910	0.2
107.06042	0.1
112.03960	2.7
119.01910	18.5
120.02036	0.6
121.02407	0.2
122.02386	0.3
124.03941	100.0
124.07487	1.0
124.11186	0.3
125.01531	0.2
125.04301	1.5
125.06046	0.1
125.07062	0.2
137.02945	9.0
138.03044	0.3
140.03421	2.0
142.03488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22322	0.1
62.99728	0.4
63.00081	6.0
64.97974	0.2
69.04583	0.2
69.73975	0.4
69.74326	0.3
70.06600	0.2
79.03840	0.1
80.05018	1.2
81.01067	1.9
81.04944	0.2
81.05396	0.6
82.06617	0.2
90.03472	0.2
93.01049	1.8
96.06913	0.2
97.02888	0.3
97.04844	0.5
97.06501	0.2
97.07658	0.3
99.00038	0.2
101.00878	0.2
102.00944	0.9
103.00639	0.4
107.06078	0.4
108.04472	1.9
110.04752	0.2
111.02084	100.0
112.02428	0.9
113.02502	0.4
119.01930	0.4
120.01994	3.1
121.01653	1.7
121.71917	0.1
125.03599	23.8
125.04244	1.7
125.07114	0.9
125.07906	0.2
125.10741	1.4
126.01045	0.4
126.03979	0.4
126.05502	1.3
138.03064	0.9
139.02649	0.7
143.03481	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	125.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44947	0.2
54.03462	0.3
55.04236	0.2
68.05026	0.6
69.04556	2.0
70.06586	0.3
71.04993	0.5
71.45116	0.3
80.05001	0.7
81.04527	3.8
82.05320	17.0
83.03744	0.7
83.05670	0.4
83.06076	1.2
86.77134	0.2
93.04525	0.4
95.06074	1.2
96.04507	0.4
96.06860	1.7
97.04011	0.5
97.05267	0.6
97.07650	0.6
98.06034	1.4
101.00885	0.6
102.00935	1.7
103.00632	1.0
104.38849	0.2
108.04430	0.5
109.03403	0.2
109.03994	12.6
110.04776	100.0
111.05115	1.8
119.01913	1.5
120.01989	8.7
121.01656	4.1
125.07108	63.6
126.07471	1.3
127.55064	0.3
137.02962	0.6
138.03035	3.2
139.02707	1.0
143.03680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0711
Annotation	Methylimidazole acetaldehyde
Peak:m/z	Relative Intensity
54.03468	0.4
55.61632	0.2
56.05036	0.4
64.31673	0.3
68.05016	0.9
69.04534	1.8
69.63615	1.0
69.86628	0.2
69.99316	0.3
70.06586	0.6
71.05005	0.5
80.05013	0.8
81.03400	0.3
81.04534	3.7
81.05317	1.6
82.05314	17.3
82.06577	0.7
83.03705	0.8
83.06088	0.7
93.04535	0.6
95.06082	1.2
96.04461	0.5
96.06870	2.3
97.04816	0.9
97.07645	4.9
98.06069	1.6
102.00928	0.5
107.06093	0.3
108.04451	0.3
109.03996	12.6
110.04772	100.0
111.05103	1.7
119.01930	0.4
120.01995	2.4
121.01661	1.2
125.04296	9.4
125.07103	59.4
125.10739	25.4
126.04379	0.4
126.06629	0.9
126.07449	1.1
126.11075	0.5
138.03072	1.0
139.02718	0.3
144.43544	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	127.0153
Annotation	2-Hydroxyethylphosphonate
Peak:m/z	Relative Intensity
53.03957	0.5
58.02089	0.4
64.97960	0.6
69.18896	2.5
76.41424	0.3
78.99498	3.1
98.23444	0.8
98.98489	0.4
113.00005	17.6
127.01553	100.0
128.01915	0.5
131.52264	0.4
138.56760	0.4
141.91768	0.4
149.97885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0157
Annotation	2-Hydroxyethylphosphonate
Peak:m/z	Relative Intensity
53.03939	0.7
55.01871	0.5
55.05498	0.3
61.09732	0.2
64.97954	0.3
65.03931	0.3
69.03422	0.8
69.77272	0.7
71.04990	0.4
75.64162	0.2
76.53609	0.2
78.99500	3.5
79.05483	0.3
81.03427	1.6
81.04527	0.8
81.05324	0.2
81.07053	0.8
82.06570	0.7
86.06060	0.3
92.05019	0.2
97.02876	0.6
98.22758	0.4
98.98460	0.3
99.04443	0.2
100.07654	0.3
109.02888	1.9
109.04823	0.5
109.07647	0.3
110.06059	1.3
113.00015	17.4
127.01563	100.0
127.03855	3.6
127.07323	0.5
127.08659	0.3
128.01866	0.6
128.02676	1.8
128.07063	0.4
131.01067	0.3
136.40695	0.2
145.02650	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	127.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01868	0.3
55.05500	0.6
57.03441	0.4
64.97950	0.6
65.03929	0.4
69.03417	0.9
69.60323	0.7
69.60661	0.2
71.04995	0.3
72.80967	0.2
78.99505	3.4
79.05482	0.3
81.03416	1.8
81.04554	0.4
81.07042	0.9
82.06589	0.7
85.06533	0.3
86.06049	0.3
92.04986	0.3
97.00539	0.2
97.02891	0.9
98.98472	0.3
99.04467	0.3
109.02881	1.5
109.04797	0.3
109.06508	0.4
110.06055	1.6
113.00011	17.5
126.72118	0.2
127.01559	100.0
127.03862	3.5
127.22340	0.2
128.01871	0.7
128.02698	2.1
128.07059	0.4
143.44739	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	127.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.3
53.03942	4.1
53.62045	0.3
54.10739	0.3
55.01872	1.8
55.05501	0.6
57.03431	1.3
57.44345	0.3
59.53553	0.2
64.97945	0.7
69.03426	13.1
71.01339	0.7
71.04979	2.1
71.33447	0.3
71.66705	0.3
78.99500	3.7
81.03410	9.5
81.07039	0.5
82.06564	1.2
83.01336	1.5
84.08136	0.6
85.02898	1.2
97.02888	6.6
98.98445	0.6
99.04458	1.5
100.07615	0.3
103.56641	0.3
109.02871	3.6
109.04797	0.6
109.07602	0.4
109.10102	0.3
110.06058	0.3
113.00008	18.4
127.01555	100.0
127.03895	5.9
127.05826	1.1
127.07275	0.6
128.01918	1.0
128.06227	0.6
128.07077	1.2
128.14325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.3
53.03942	4.1
53.62045	0.3
54.10739	0.3
55.01872	1.8
55.05501	0.6
57.03431	1.3
57.44345	0.3
59.53553	0.2
64.97945	0.7
69.03426	13.1
71.01339	0.7
71.04979	2.1
71.33447	0.3
71.66705	0.3
78.99500	3.7
81.03410	9.5
81.07039	0.5
82.06564	1.2
83.01336	1.5
84.08136	0.6
85.02898	1.2
97.02888	6.6
98.98445	0.6
99.04458	1.5
100.07615	0.3
103.56641	0.3
109.02871	3.6
109.04797	0.6
109.07602	0.4
109.10102	0.3
110.06058	0.3
113.00008	18.4
127.01555	100.0
127.03895	5.9
127.05826	1.1
127.07275	0.6
128.01918	1.0
128.06227	0.6
128.07077	1.2
128.14325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0388
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02372	1.2
53.00298	1.4
53.03947	23.9
54.04287	1.0
55.01875	17.8
55.05518	1.3
57.03437	5.5
59.24441	1.1
67.01854	2.1
69.03434	15.1
70.09010	1.3
70.09345	2.3
71.01342	1.5
71.04992	9.2
78.99494	1.7
81.03413	53.5
81.07016	1.3
82.03739	1.0
82.06577	2.7
83.01334	4.6
84.08118	1.1
85.02901	3.3
86.19194	1.0
97.02888	100.0
98.03216	2.2
98.98514	1.6
99.04450	10.9
109.02878	15.1
109.04829	1.4
113.00016	6.9
117.76002	0.9
125.02372	1.6
127.01563	41.9
127.03899	27.8
127.04884	1.4
127.05875	1.2
128.06253	5.4
128.07047	1.8
143.03374	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	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03703	1.1
53.03944	17.9
55.01873	12.6
55.33018	0.8
57.03424	3.6
57.16425	0.7
57.80131	0.9
63.63651	0.7
67.01874	1.3
67.05488	1.3
69.03424	25.2
69.07052	1.3
70.60715	0.8
71.01355	1.4
71.04987	9.6
81.03414	35.2
82.03782	0.9
82.06592	1.1
83.01331	4.4
84.08105	0.9
85.02905	3.0
85.30322	0.9
97.02887	100.0
98.03228	2.3
99.04464	8.1
109.02867	9.8
109.10113	1.0
112.99998	1.4
127.01555	8.0
127.03915	18.8
128.07127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0755
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03944	2.9
55.01868	0.7
55.05507	2.5
57.03437	2.1
59.05005	1.0
60.51146	0.3
65.03951	0.9
67.05492	2.4
69.03420	3.4
69.07035	0.5
70.07536	0.5
70.07848	0.5
71.04980	1.7
73.05029	0.4
78.99508	3.4
79.05489	24.0
80.05844	0.5
81.03416	2.5
81.07052	59.4
82.06587	0.9
82.07386	1.4
82.60523	0.4
83.04975	1.4
84.08164	0.6
85.06534	6.4
86.09702	1.3
95.04963	0.5
97.02886	1.4
98.98486	0.4
99.08115	0.4
100.07652	0.6
109.02885	1.3
109.04860	0.9
109.06514	24.0
110.06084	0.5
110.06824	0.6
113.00014	17.8
119.87095	0.4
127.01559	100.0
127.03848	4.4
127.07547	8.2
128.01881	0.9
128.07077	0.5
135.93492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66725	0.7
51.52210	0.8
52.01474	0.7
53.03940	1.3
54.01881	0.8
55.01868	2.8
55.05512	9.3
55.93515	2.2
56.05033	7.1
57.03441	11.8
57.07078	1.3
58.06602	4.1
59.04422	0.8
59.04993	0.8
60.05385	0.7
60.05651	5.0
66.23956	0.8
66.90652	0.7
69.03427	14.9
69.07069	3.1
69.97899	2.1
70.06593	28.2
71.04992	38.2
72.08176	1.4
80.57418	0.8
82.06607	1.4
82.41750	0.8
83.04983	21.2
83.06100	8.6
84.04503	100.0
84.08142	21.3
85.02905	27.6
86.09716	3.5
99.04487	1.8
102.05546	2.0
111.04433	4.9
112.07604	35.0
112.08746	1.4
112.11235	19.4
112.12026	1.2
114.17400	1.0
128.06244	3.8
128.95062	0.9
129.05472	2.0
129.06987	3.4
129.10251	1.3
129.13899	3.7
130.04990	9.2
130.06516	5.5
130.08650	6.8
130.09770	3.1
130.15916	2.0
142.28194	0.8
146.96196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62144	1.5
53.03939	3.4
55.01870	5.2
55.05256	2.2
55.05510	27.9
55.93530	2.6
56.05039	5.2
57.03179	2.8
57.03434	29.4
57.03698	2.3
57.07072	24.4
59.04992	1.7
60.05646	15.6
61.54137	1.5
64.59241	1.3
66.45674	1.2
69.03427	33.0
69.07063	5.2
69.53361	3.2
70.06590	43.3
70.55701	1.5
71.04988	100.0
72.05323	1.8
74.09712	14.2
82.06572	1.4
83.04977	54.9
83.06071	9.4
84.04499	73.8
84.05314	3.1
84.08141	15.2
85.02901	68.3
86.09702	4.8
88.07629	1.7
90.12775	1.4
93.10938	1.4
98.22733	3.2
99.04469	2.7
103.05482	2.5
111.04443	11.4
112.07602	57.6
112.11240	2.2
128.06213	17.7
129.05571	2.0
129.07004	10.7
130.05013	6.2
130.06526	16.4
130.08650	10.3
130.09772	6.6
130.15915	25.1
145.06468	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	129.1024
Annotation	(S)-Piperidine-2-carboxamide
Peak:m/z	Relative Intensity
52.84807	0.4
55.05504	0.6
55.93521	1.8
56.05033	1.4
57.07068	1.5
58.06595	5.0
63.18103	0.4
67.05497	1.9
69.03425	12.0
69.07063	64.2
70.02958	0.7
70.06591	3.8
70.07403	1.9
70.55746	1.2
71.04979	0.6
72.08141	2.7
74.09702	0.7
76.06881	0.5
78.18818	0.5
82.06586	0.6
83.04974	0.5
83.06089	3.3
84.04494	11.5
84.08134	24.8
86.09698	100.0
87.10031	2.0
90.51237	0.6
96.60941	0.4
112.07595	96.8
112.11229	24.6
113.07928	1.9
113.11568	0.5
115.07178	0.5
129.10228	45.4
129.13878	4.7
130.05003	0.8
130.06520	9.2
130.08649	5.5
130.10600	0.9
130.15887	1.2
138.30043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
56.05033	6.1
57.03426	0.4
60.05646	1.9
67.05495	0.3
69.03426	5.9
69.07070	0.6
70.06589	21.0
70.95537	0.2
71.04991	4.1
71.06921	0.3
74.00661	0.2
81.60868	0.1
82.06575	0.4
83.06091	0.2
84.04500	100.0
84.08134	7.1
85.02900	5.6
85.04362	0.2
85.04827	1.2
85.06420	0.6
87.04488	0.3
88.07645	0.2
95.01320	0.6
102.05540	1.5
104.15459	0.1
112.03976	0.2
112.07600	14.2
112.08701	1.3
112.13081	0.1
113.07957	0.2
115.97871	0.1
130.04994	8.9
130.06502	0.3
130.08624	3.2
130.09729	1.1
130.12268	0.3
131.05466	0.2
131.06398	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	130.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20087	0.2
56.05032	5.2
57.03424	0.4
60.05633	0.4
62.42965	0.2
63.81347	0.2
69.03417	0.3
70.06580	0.9
71.04986	1.0
84.04497	100.0
84.08148	1.1
85.02895	6.0
85.04826	1.1
87.05501	0.2
95.01309	1.0
98.34718	0.2
102.05538	2.1
112.03915	0.3
125.36079	0.2
130.04991	9.9
130.09747	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	130.0976
Annotation	4-guanidinobutanal
Peak:m/z	Relative Intensity
55.05519	0.4
56.05033	3.0
60.05646	20.8
60.05952	1.1
67.05492	1.3
68.05014	0.8
69.03426	42.5
69.07066	4.1
70.06588	95.8
71.04989	47.5
71.06918	1.3
77.98556	0.4
82.06593	2.7
84.04499	27.5
84.08136	20.8
84.08649	0.5
85.02888	1.3
85.04857	0.7
85.07676	0.7
86.06030	0.5
86.09699	1.0
88.07619	2.6
91.39296	0.4
94.06555	1.0
98.15874	0.5
105.23624	0.4
107.18835	0.5
112.07598	100.0
112.08701	4.0
113.07935	2.1
130.04944	2.4
130.06517	1.2
130.08627	19.5
130.09746	12.2
130.10677	1.0
130.15875	1.3
131.09021	0.6
146.95030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70148	0.2
51.41837	0.2
55.88535	0.2
56.05030	1.0
58.06602	1.4
60.05652	4.9
67.05531	0.3
68.05020	0.4
69.03432	1.4
69.07069	0.2
70.06590	100.0
70.63535	0.3
71.04990	10.8
71.06907	1.4
74.00664	2.4
75.50946	0.2
83.06103	0.3
84.04503	15.8
84.08144	6.9
85.02894	0.5
85.04832	0.3
85.06531	0.4
88.07635	0.5
88.90377	0.2
112.07604	3.1
112.08739	7.1
116.04047	0.2
120.93610	0.2
128.17778	0.2
130.05069	1.1
130.08681	1.1
130.09776	3.6
130.12257	1.2
131.06383	10.4
144.53186	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	130.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62978	0.3
56.05030	4.5
56.96556	0.4
57.03445	0.4
57.07076	0.4
58.06597	3.3
60.05645	8.1
67.05495	0.6
68.43147	0.3
69.03421	4.2
69.07054	0.6
70.06586	100.0
70.99615	0.3
71.04987	18.7
71.06906	1.8
72.08147	0.8
74.00657	5.2
82.06576	0.4
83.06087	1.1
84.04497	63.3
84.06419	2.0
84.08136	9.3
85.02905	3.8
85.04829	1.1
85.06425	1.9
87.04443	0.4
88.07639	1.1
89.04282	0.4
95.01315	0.6
98.23402	0.4
102.05548	0.9
111.68629	0.3
112.07582	10.5
112.08707	6.8
116.03996	0.5
124.31538	0.3
126.86874	0.3
130.04097	0.5
130.04990	6.0
130.08615	2.9
130.09732	5.1
130.12302	1.8
130.15959	0.3
131.06375	20.7
137.54207	0.3
143.69576	0.3
148.72130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
56.05029	1.5
57.07073	87.2
58.07395	1.8
59.65154	0.8
60.05648	6.6
63.17411	0.8
69.03421	11.2
69.07052	1.9
69.43649	0.7
69.81271	2.5
70.06590	23.0
70.46494	0.7
71.04990	15.6
72.08147	1.0
74.09714	56.9
75.10036	0.8
77.03907	0.9
77.53553	0.7
84.04502	30.1
84.08137	7.7
85.02903	1.6
88.07647	1.0
91.05488	0.8
95.04978	1.9
103.05463	25.8
112.07598	28.1
113.07990	1.0
122.44664	0.7
130.04993	2.5
130.06529	8.7
130.08636	6.1
130.09758	4.1
130.15910	100.0
131.04907	4.9
131.16272	2.7
132.12415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	3.2
57.07072	38.9
57.51866	0.7
58.06588	0.8
58.07405	1.1
60.05643	2.3
67.05502	2.0
69.03426	44.8
69.07063	4.5
70.03768	0.9
70.06591	6.2
71.04987	4.2
72.08148	1.7
74.00661	1.1
74.09715	22.4
74.10143	1.3
82.06558	2.3
82.81795	0.7
83.51312	0.6
84.04501	30.8
84.05593	1.1
84.08138	26.2
85.02914	1.2
85.04842	0.5
85.06406	3.1
85.08471	1.4
89.34202	0.5
91.05476	3.0
94.06579	0.8
95.04941	1.1
95.93958	0.6
103.05440	4.2
104.60034	0.6
112.07598	100.0
113.07922	4.4
113.11572	1.2
116.06242	0.7
130.04993	2.6
130.06525	26.4
130.08633	21.1
130.09688	1.3
130.15913	47.2
131.04955	0.9
131.06296	3.7
131.08630	2.3
131.16315	1.1
145.69296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
51.69313	0.8
56.05021	0.9
57.07077	88.2
69.03439	6.0
72.08125	1.4
74.09719	54.2
84.04498	15.7
84.08145	4.2
85.02903	1.2
112.07607	12.5
130.05008	1.4
130.06517	2.2
130.08607	2.1
130.15918	100.0
131.16283	1.8
137.25972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
51.22003	0.3
51.88958	0.3
53.03938	2.1
57.03433	0.4
57.07072	0.6
58.07399	0.3
59.04686	0.2
60.05645	0.9
63.34480	0.3
66.03051	0.2
69.03426	0.2
69.89891	0.2
69.90237	1.0
70.03763	0.4
70.06572	0.3
71.04978	0.3
71.06912	0.7
72.05306	1.0
72.08141	0.9
74.00678	0.4
74.09700	0.4
77.03912	1.8
81.03368	0.3
85.08465	0.4
85.94582	0.2
86.06042	0.3
90.90376	0.4
91.05477	0.5
95.04958	11.7
96.05339	0.3
98.23500	0.3
102.04674	1.4
103.05457	100.0
104.05787	3.1
105.04499	4.2
108.52581	0.2
113.07932	1.0
130.15895	0.7
131.04918	12.5
131.06985	0.4
131.08531	0.4
131.16263	0.4
132.05321	0.4
144.08092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
52.01038	0.4
53.03948	1.8
55.52113	0.3
58.97852	0.3
69.82866	1.2
77.03925	3.5
90.90372	0.5
95.04958	9.4
102.04694	1.2
103.05461	100.0
104.05800	2.6
105.04506	4.2
112.82162	0.4
113.07881	0.5
131.04926	12.9
141.28648	0.4
144.08072	0.4
149.32802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03947	2.2
69.75854	0.6
69.76206	0.5
72.08119	0.2
73.76699	0.2
77.03920	2.5
87.38318	0.2
91.05473	0.4
95.04961	8.6
101.30296	0.2
102.04668	1.5
103.05462	100.0
104.05803	2.6
105.04496	3.5
113.07922	0.4
115.33235	0.3
131.04922	14.1
131.08577	0.4
132.06554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03945	2.2
60.05648	1.9
61.05344	0.4
69.03445	0.4
69.68471	1.2
70.03743	0.4
70.06591	0.8
71.04985	0.7
71.06918	2.0
72.05328	1.7
72.08151	2.4
77.03926	2.6
85.04810	0.5
90.40341	0.3
91.05524	0.3
95.04968	10.3
98.22723	0.4
102.04694	1.6
103.05465	100.0
104.05779	2.3
105.04517	5.0
111.00103	0.3
113.07942	1.0
131.04927	13.3
131.08617	0.4
131.10147	0.7
132.05255	0.5
144.08037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03762	0.5
56.05030	1.9
57.28983	0.4
58.06601	13.5
59.27122	0.4
60.05622	0.7
69.74191	0.9
69.74550	0.8
69.87701	0.4
70.03751	0.6
70.06580	0.9
71.06920	1.8
72.05343	0.4
72.08145	1.1
74.00663	25.1
83.06097	2.8
84.05624	10.8
85.06408	39.5
86.09696	2.6
88.02213	1.0
89.04237	1.6
101.01705	0.7
101.05879	1.1
107.63294	0.4
113.07949	1.5
114.03803	0.8
116.04027	2.1
131.06386	100.0
132.06776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03776	0.6
56.05029	2.1
56.96573	0.3
58.05350	0.3
58.06598	16.1
60.05645	0.4
61.01146	0.5
70.03749	0.4
70.06582	0.7
70.30476	0.3
71.04987	0.4
71.06920	2.0
72.05320	0.6
72.08151	0.8
74.00661	25.7
83.06102	3.5
84.05624	7.3
85.04807	0.5
85.06405	26.0
86.06700	0.3
86.09711	2.3
88.02219	1.5
89.04256	1.8
91.88203	0.3
101.01719	0.7
101.05874	1.2
113.07949	1.3
114.03747	1.0
115.03226	0.3
116.04048	2.9
127.33047	0.3
131.06381	100.0
132.06682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0639
Annotation	AMT
Peak:m/z	Relative Intensity
50.65698	0.2
53.31790	0.2
55.06558	0.3
55.82870	0.2
56.05033	2.2
56.96563	0.3
58.06597	16.9
61.01148	0.5
69.07070	1.3
70.06586	1.3
71.06922	2.6
71.44806	0.4
72.05330	0.6
72.08168	0.4
74.00659	26.5
75.02700	0.3
79.79379	0.3
83.06103	2.9
84.05616	1.4
85.06400	5.7
85.08481	0.4
86.09696	7.6
88.02214	0.7
89.04234	1.8
99.86080	0.3
101.01715	0.8
114.03769	1.4
116.04044	2.5
126.03163	0.3
131.06378	100.0
132.06773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78870	0.4
62.71579	0.5
66.04715	1.6
69.16121	2.5
69.16519	0.6
78.04695	1.0
79.74256	0.4
80.52224	0.5
86.81752	0.4
89.03906	1.8
90.03447	0.5
90.04688	9.3
91.05463	3.7
103.05481	1.6
104.05002	1.2
104.06275	3.4
105.07037	0.7
105.55379	0.4
115.05485	0.6
116.04971	7.7
117.05751	7.6
119.58018	0.5
130.06516	40.3
131.07301	100.0
132.04430	2.7
132.08105	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50288	0.4
53.95114	0.4
56.05004	0.4
57.03414	0.4
58.06588	0.4
66.04718	2.1
77.03929	0.4
78.04710	1.0
83.21986	0.4
83.87592	0.4
84.25243	0.4
89.03913	3.0
90.04693	10.1
91.05484	4.6
92.70587	0.4
95.04965	1.1
103.05464	1.5
103.58168	0.4
104.05014	2.5
104.06281	2.8
105.04531	0.5
105.07009	1.0
113.07932	0.8
115.05472	1.1
116.04960	7.5
116.06220	1.0
117.05752	8.3
129.07002	0.5
130.06512	43.4
131.07303	100.0
132.04434	8.0
132.08096	32.4
134.06070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01861	0.5
53.03935	1.3
58.36801	0.6
65.03938	1.5
70.11544	0.9
70.11903	1.1
89.03877	0.6
91.05475	100.0
92.05801	3.1
95.04927	0.7
103.05464	5.7
105.04491	0.5
113.07965	0.7
115.05448	8.7
116.06234	24.4
126.90554	0.5
128.06198	1.3
129.06993	17.8
130.07278	0.8
131.04916	4.8
131.08556	98.5
132.08907	4.0
132.45151	0.6
138.24985	0.5
143.06001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
56.68050	0.5
57.01749	0.5
65.03934	1.7
69.73642	0.6
69.73980	2.2
91.05479	100.0
92.05818	2.2
98.22749	1.2
98.62518	0.5
103.05465	5.5
105.04501	1.0
105.07045	0.6
113.07950	1.0
115.05451	8.8
116.06240	25.7
117.06560	1.1
122.23734	0.5
128.06201	2.1
129.07008	15.3
130.07399	1.2
130.64888	0.5
131.04942	6.3
131.06462	2.3
131.08562	92.3
132.08893	3.8
133.06500	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
64.94643	0.6
91.05473	94.5
91.73373	0.6
92.05797	2.2
95.04944	1.2
101.51159	0.6
103.05455	6.9
105.06061	0.8
105.06970	1.1
114.96168	2.5
115.05431	6.8
116.06235	25.9
128.06172	1.3
129.06996	15.2
130.06442	0.7
130.07347	1.5
131.04912	15.6
131.08554	100.0
132.08893	3.4
133.06503	1.1
143.06035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
57.03453	1.2
65.03930	0.9
85.06409	2.0
87.23627	0.6
90.05917	0.7
91.05474	100.0
92.05830	2.7
95.04945	1.5
100.36779	0.8
103.05463	7.8
103.38840	0.6
105.07020	1.2
113.07932	2.6
115.05442	8.7
116.05456	1.4
116.06234	24.3
117.06554	0.8
125.45086	0.6
128.06206	1.7
129.06992	17.7
130.07381	0.8
131.04903	6.6
131.06497	3.1
131.08556	91.5
132.08894	2.7
133.06459	1.0
143.06044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14661	29.5
62.99585	27.6
64.21373	28.9
69.71647	100.0
74.02440	30.1
91.73517	32.5
131.74878	33.4
132.10226	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02374	0.6
53.03943	2.1
56.05045	0.2
57.03422	0.9
62.16172	0.2
68.05009	0.2
70.90708	0.4
72.04507	0.4
72.08138	0.2
72.93781	0.8
74.02428	0.4
77.03914	2.7
78.03456	0.4
82.62428	0.2
84.04490	0.5
86.09710	1.3
90.90377	2.0
90.94820	0.4
91.05455	0.3
95.04961	10.2
96.04495	1.7
104.04985	70.1
105.03421	1.5
105.04504	4.2
105.05300	1.7
105.07013	0.6
130.04059	0.3
132.04442	100.0
133.04800	2.6
133.07584	0.4
136.34445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.8
52.77968	0.3
53.03945	2.0
55.93533	0.3
56.05030	0.7
57.03443	2.1
57.63818	0.3
58.02961	0.4
58.06594	0.7
60.82605	0.3
68.05034	0.5
69.03443	0.4
69.07050	0.4
72.04514	0.5
72.08119	0.3
72.93798	1.7
74.02432	0.5
74.95869	0.3
77.03919	2.7
81.03353	0.3
84.04496	0.8
86.06059	0.7
86.09699	2.5
86.72886	0.3
90.90372	4.3
90.94833	1.0
91.05489	0.6
95.04959	9.4
96.04490	1.3
104.04987	67.0
105.03423	2.0
105.04517	4.6
105.05304	1.5
105.07029	1.2
108.91424	0.7
117.05737	0.5
123.12430	0.3
130.04008	0.4
130.06538	0.3
132.04445	100.0
133.04807	2.5
133.07607	1.1
133.10101	0.4
149.94081	0.6
154.90092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01598	0.4
53.03947	2.1
56.05021	0.8
57.03435	2.3
58.02937	0.5
58.07438	0.4
61.01154	0.8
68.05028	0.5
69.29323	1.7
71.00461	0.4
72.93788	0.9
74.09705	0.5
75.03394	0.4
77.03917	3.0
79.05443	0.4
82.23254	0.4
84.08138	0.9
86.06106	0.4
86.09696	12.1
90.90381	1.5
91.05482	0.8
95.04967	10.8
96.04483	1.7
98.23489	0.7
104.04986	71.1
105.03388	1.3
105.04514	4.5
105.05328	1.6
105.07021	2.0
117.51900	0.4
131.16199	0.5
132.04445	100.0
133.04820	2.3
133.06528	0.5
133.07520	0.4
133.10153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.33171	0.4
51.48722	0.5
58.06591	1.0
69.07062	7.7
70.35032	1.4
74.00649	1.1
74.99057	0.8
75.01003	0.5
76.00206	0.6
85.06391	0.5
86.06740	1.7
86.09698	100.0
87.10039	2.2
90.41311	0.5
101.02819	0.5
132.06784	4.6
133.05959	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71942	5.1
52.10437	4.4
53.27730	4.4
55.01875	6.3
57.03428	7.7
59.53863	4.1
61.02919	6.7
66.49951	5.9
68.05401	4.6
69.03429	10.2
77.03931	8.1
79.05479	12.4
79.22462	4.7
84.09485	4.7
91.05485	32.3
98.23506	11.2
103.05450	7.6
105.03359	6.5
105.07030	100.0
117.07025	7.4
118.07786	4.9
131.08566	6.6
133.02811	6.0
133.06496	23.3
133.07547	9.8
133.10127	58.7
134.06052	5.9
142.06161	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	133.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09149	4.0
51.20042	4.7
55.01865	8.8
55.92177	4.1
57.03425	13.3
69.03426	8.1
70.40977	7.1
73.02908	8.4
79.05486	16.5
85.02916	6.0
91.05473	33.3
95.04935	9.2
98.23476	6.5
103.05482	5.9
105.03401	8.2
105.07043	100.0
115.05398	4.6
131.08542	8.1
133.02869	11.2
133.06483	20.8
133.07596	12.8
133.10132	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02369	0.7
52.13004	0.6
53.03932	0.8
55.01873	3.9
66.04710	1.0
70.72997	0.6
71.43125	0.7
77.03915	2.3
78.04683	0.9
79.05042	1.0
79.05488	15.0
85.28329	0.7
89.03928	0.6
90.04684	6.9
91.05476	3.0
93.07049	0.8
95.03603	0.6
95.04971	5.2
103.05469	15.9
104.05776	0.8
105.03420	1.2
105.04513	2.1
105.07023	93.2
106.07360	3.6
107.04950	2.3
111.40363	0.6
115.05450	5.2
118.04153	16.3
131.04895	1.7
132.05733	0.8
133.06487	100.0
133.10091	3.8
134.03642	1.5
134.06848	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	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
53.46250	1.1
53.60447	1.1
55.01872	4.1
65.03931	1.1
69.96678	3.7
71.54179	1.1
77.03934	2.7
78.74139	1.1
79.05488	19.9
90.04707	4.8
91.05491	8.1
92.02643	1.6
95.04957	7.0
103.05466	16.3
105.04542	2.1
105.07027	100.0
106.06583	1.3
106.07359	2.4
115.05447	5.1
117.07037	1.7
118.04171	13.3
131.04887	1.3
131.08557	1.6
133.06503	87.5
133.07597	11.5
133.10097	9.7
134.05992	2.7
134.07076	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	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01871	4.3
55.05493	1.1
69.49162	4.4
75.36466	1.0
76.06636	1.0
79.05494	19.5
80.86662	1.0
90.04697	5.6
91.05480	8.9
93.07042	1.1
95.04969	4.5
96.47372	0.9
98.35992	1.0
103.05470	12.7
105.03417	1.5
105.04524	2.2
105.07027	100.0
106.06571	1.4
106.07372	2.5
107.04966	1.5
115.05464	4.4
117.07018	1.2
118.04152	11.4
118.07795	1.7
131.04903	1.5
131.08609	2.5
133.06497	86.0
133.07590	9.9
133.10130	9.1
134.00940	1.1
134.06004	4.9
134.06892	2.5
134.09666	1.5
138.40347	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.69952	0.7
55.01876	3.6
59.42885	0.7
70.90885	1.1
77.03918	1.8
79.05047	1.1
79.05489	17.4
80.05788	0.8
90.04706	3.8
91.05470	5.7
92.90086	0.8
95.04955	4.9
103.05469	14.9
105.03403	1.0
105.04528	1.5
105.07027	98.8
106.06551	1.0
106.07362	2.8
107.04951	1.1
115.05417	5.5
118.04160	13.0
119.04494	0.9
131.04948	1.8
133.06493	100.0
133.07529	5.8
133.10052	3.6
133.90776	0.8
134.05949	1.8
134.06862	3.2
143.06126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1009
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05505	1.3
58.02972	0.2
59.83746	0.2
65.03934	2.3
71.42888	0.2
78.04703	1.1
79.05492	2.2
83.39385	0.2
89.91577	0.2
91.05473	100.0
92.05804	2.9
93.07043	0.5
95.04958	0.7
96.47364	0.1
103.05456	1.9
104.06242	16.4
105.07027	19.3
106.07375	0.6
115.05450	0.4
117.07009	0.8
118.07764	0.3
131.08559	0.9
133.07568	0.4
133.10118	11.0
134.10425	0.5
152.66037	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03938	1.1
54.23962	0.4
55.05510	8.3
65.03944	1.0
67.05503	1.5
68.14455	0.4
77.03915	1.1
79.05489	9.8
91.05475	42.0
92.05788	0.9
93.07038	5.1
95.04945	2.6
103.05467	4.8
105.04519	1.6
105.07023	100.0
106.07353	3.0
107.08569	0.7
107.76330	0.4
115.05431	3.8
116.06274	1.0
117.07006	5.9
118.07809	5.1
131.07643	0.8
131.08554	8.3
131.40027	0.5
132.08943	0.5
133.10117	38.6
134.10411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05511	9.3
65.03905	1.0
67.05523	2.7
70.58066	0.9
71.75391	0.5
77.03928	1.0
79.05038	0.9
79.05491	11.4
91.05479	44.8
92.05785	1.2
92.06296	0.6
93.07029	5.0
95.04967	3.2
103.05463	4.4
105.04565	1.1
105.07025	100.0
106.06694	0.5
106.07330	2.7
107.08566	0.8
115.05463	5.1
116.06225	0.7
117.06998	3.7
118.07809	5.0
129.06960	0.8
131.08559	7.1
133.07610	2.2
133.10123	35.8
134.10437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03937	1.1
53.41457	0.6
55.05507	8.4
65.03945	0.6
67.05505	2.5
73.99535	0.5
77.03952	1.2
78.33721	0.5
79.05484	11.3
81.82455	0.5
91.05477	40.3
92.05783	0.8
92.06284	0.8
93.07039	4.4
95.04950	2.7
99.00247	0.5
103.05460	5.0
105.04504	1.8
105.07022	100.0
106.07354	2.9
107.08583	0.6
115.05452	4.4
116.06226	1.1
117.07001	5.0
118.07803	5.9
131.08571	8.7
133.07596	1.4
133.10121	38.0
134.10417	0.7
148.90714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
54.42533	0.5
55.05503	4.8
61.26101	0.6
65.03934	0.8
67.05502	1.6
69.03432	1.2
69.41479	2.6
74.02440	3.5
76.32620	0.5
77.03931	1.7
79.05489	12.0
80.86852	0.6
84.50738	0.5
87.05576	1.2
88.04015	0.7
91.05478	37.1
92.05783	0.7
92.06288	0.9
93.07040	6.4
95.04990	3.3
98.23395	1.2
103.05470	6.3
105.03416	1.1
105.04510	1.6
105.07024	94.9
106.06544	3.7
106.07359	2.0
107.08607	1.6
115.05457	7.1
116.06223	2.2
117.07015	9.8
118.07795	9.4
121.83959	0.5
129.06953	1.0
131.08562	9.9
133.06473	2.6
133.07596	2.8
133.10123	100.0
134.06001	4.0
134.07095	1.6
134.10454	3.7
149.95796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03932	1.2
54.80936	0.4
55.05505	4.2
56.26038	0.4
57.40855	0.3
60.11034	0.4
62.41147	0.3
62.55521	0.3
65.03927	0.9
67.05495	1.0
70.52428	0.4
71.02763	0.5
74.02451	0.6
77.03928	1.8
79.05486	17.4
79.05946	0.9
89.82291	0.4
91.05471	30.8
92.05786	1.0
93.07038	8.0
95.04954	2.9
103.05462	5.3
104.05003	1.9
104.05623	0.4
105.03391	7.6
105.04514	1.6
105.07018	83.6
106.06548	31.9
106.07303	2.4
107.04955	0.9
107.08583	1.7
109.72879	0.4
115.05429	8.0
116.04954	0.9
116.06231	1.3
117.07008	9.0
118.07791	9.0
129.06935	0.8
131.08549	10.3
133.02809	0.6
133.05246	4.9
133.06459	2.1
133.07573	1.9
133.10112	100.0
134.05998	54.7
134.10463	3.3
149.54843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02365	0.9
53.20163	0.8
55.05516	4.0
64.10401	0.7
64.99747	0.8
65.03925	1.2
67.05508	1.6
69.03431	1.2
69.61591	3.7
74.02432	1.6
77.03912	1.0
79.05490	10.8
85.02883	1.2
91.05474	35.1
93.07038	8.0
95.04962	3.3
102.42245	0.8
103.05470	6.4
105.03381	1.1
105.04524	1.5
105.07024	100.0
106.06593	1.9
106.07348	3.3
107.08604	1.5
115.05466	7.3
116.06181	1.4
117.07008	9.7
118.05255	0.8
118.07775	7.8
131.08554	12.3
133.02869	1.0
133.04239	0.9
133.06488	5.6
133.07594	6.5
133.10123	95.9
134.06024	1.8
134.07080	0.8
134.10480	3.2
148.62241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03945	0.6
55.05506	5.1
65.03938	2.0
67.05506	9.9
71.42433	0.6
71.42815	0.7
77.03929	0.9
79.05486	11.8
91.05478	100.0
92.05812	2.1
93.07037	1.4
95.04954	2.7
99.06950	0.6
103.05466	3.4
105.07026	81.8
106.07363	2.3
108.09122	0.9
115.05450	2.7
117.06998	2.2
118.07793	2.6
131.08562	6.0
132.60042	0.6
133.06464	2.2
133.07594	5.7
133.10124	32.3
134.06003	0.8
134.07043	0.7
134.10475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.94089	0.5
53.03933	0.4
53.55397	0.4
55.05508	4.6
59.62248	0.4
61.81528	0.5
62.03410	0.4
65.03945	1.9
67.05502	9.6
70.15011	0.9
77.03948	1.0
79.05493	11.3
80.53935	0.4
80.85257	0.4
91.05477	100.0
92.05797	2.8
92.06308	0.6
93.07039	1.7
95.04971	1.4
103.05477	2.0
104.06248	0.7
105.07027	62.1
106.07375	1.7
115.05419	0.9
117.06999	1.5
118.07777	1.1
121.03005	0.5
131.08569	3.2
133.06627	0.7
133.07558	2.2
133.10121	22.8
134.10478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.05499	4.0
57.03423	1.2
63.17712	0.6
65.03936	1.0
67.05487	1.6
69.03438	1.5
69.08446	3.5
69.08851	1.4
71.52164	0.7
74.02440	2.0
77.03905	1.4
79.05484	11.7
91.05471	35.3
92.06263	0.8
93.07043	6.9
95.04969	3.3
103.05470	5.0
105.04522	1.9
105.07018	98.8
106.06571	1.4
106.07367	2.9
107.08587	1.3
115.05440	8.8
116.06236	1.3
117.07021	10.2
118.07789	9.6
128.93822	0.8
131.08542	12.6
133.06480	4.3
133.07594	5.2
133.10114	100.0
134.06003	1.7
134.06995	1.0
134.10414	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	134.0602
Annotation	Oxindole
Peak:m/z	Relative Intensity
50.12439	0.3
53.03937	0.6
55.21443	0.3
57.21015	0.3
57.88124	0.4
63.20299	0.3
65.03945	0.4
66.08278	0.3
69.10501	2.1
77.03930	0.7
79.05492	17.8
80.05820	0.6
89.03887	0.5
91.05483	1.5
92.05817	0.5
93.07050	0.6
95.04972	2.9
96.04502	0.4
98.23543	0.6
105.03387	14.7
105.04530	1.3
105.07030	0.8
106.06551	64.8
107.04949	5.1
107.06137	0.5
107.06898	1.2
107.08595	0.8
116.04955	1.8
117.05772	0.4
124.03848	0.3
133.05243	0.4
134.06007	100.0
134.10466	2.6
135.06372	3.9
135.08069	0.7
135.09145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12439	0.3
53.03937	0.6
55.21443	0.3
57.21015	0.3
57.88124	0.4
63.20299	0.3
65.03945	0.4
66.08278	0.3
69.10501	2.1
77.03930	0.7
79.05492	17.8
80.05820	0.6
89.03887	0.5
91.05483	1.5
92.05817	0.5
93.07050	0.6
95.04972	2.9
96.04502	0.4
98.23543	0.6
105.03387	14.7
105.04530	1.3
105.07030	0.8
106.06551	64.8
107.04949	5.1
107.06137	0.5
107.06898	1.2
107.08595	0.8
116.04955	1.8
117.05772	0.4
124.03848	0.3
133.05243	0.4
134.06007	100.0
134.10466	2.6
135.06372	3.9
135.08069	0.7
135.09145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.45638	0.5
53.03941	1.5
63.02374	5.5
65.03932	0.5
69.39956	2.2
69.40357	1.2
77.03928	1.7
78.74549	0.6
79.05495	17.4
80.04992	0.7
82.27180	0.5
89.03917	100.0
90.04250	1.6
91.05465	2.1
93.07042	1.8
95.04974	10.2
105.04509	4.5
105.07055	0.8
107.04952	15.7
107.08597	2.9
109.01106	0.7
109.06487	0.7
117.03382	37.4
118.03726	0.7
119.03583	1.0
125.54028	0.5
135.04419	61.8
135.05409	2.0
135.08046	1.2
135.09129	0.6
135.11716	1.1
136.01169	0.9
136.02161	12.7
136.04720	1.2
136.06197	7.4
144.85277	0.5
145.03999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03188	0.8
53.03947	1.6
55.05505	1.3
55.52605	0.9
58.41723	0.7
63.02369	4.5
63.80519	0.8
68.17924	0.7
69.07060	1.1
69.11337	5.5
77.03928	2.9
79.05038	1.3
79.05487	17.9
89.03914	100.0
90.04233	1.5
91.05479	8.8
91.56238	0.8
93.07047	8.2
94.43526	0.8
95.04965	10.5
105.04520	5.2
105.07031	3.6
107.04949	18.6
107.08589	15.7
109.06499	1.8
113.00552	0.9
117.03374	40.5
119.06071	1.6
119.08582	3.3
120.09363	1.0
135.04411	66.2
135.09157	0.8
135.11681	6.1
136.02161	4.8
136.04739	1.1
136.06166	1.8
145.03957	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	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
52.06999	0.7
52.18157	0.8
53.03939	2.4
55.01862	1.4
55.05510	0.9
64.11475	0.7
67.05508	0.8
70.04531	1.5
70.04889	1.7
71.55035	0.7
77.03940	2.1
79.05489	9.8
80.05000	1.5
81.07018	1.2
89.03918	2.9
91.05466	10.2
91.37632	0.7
93.07041	7.6
95.04960	23.5
98.23421	1.1
100.70241	0.7
105.04517	4.0
105.07026	2.9
107.04945	100.0
107.08585	8.4
108.05260	2.0
109.01093	2.6
109.06491	0.7
115.05447	1.3
115.16358	0.8
117.03423	0.8
117.07001	1.9
119.03516	2.2
119.08529	1.6
123.46281	0.8
135.04414	4.0
135.05525	2.3
135.08041	18.7
135.09076	1.4
135.11710	2.6
136.02153	36.3
136.03870	1.8
136.05093	1.3
136.06169	25.7
136.07530	2.3
136.43690	0.8
137.04579	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03933	3.3
55.01870	11.1
55.04240	1.0
55.05304	1.0
55.05513	11.2
62.62762	1.0
65.03928	3.3
67.05502	35.7
67.31837	0.9
69.07071	10.5
70.14017	2.2
70.14359	1.0
70.28673	1.0
77.03911	4.5
79.05491	75.6
80.05817	2.1
81.07057	28.6
91.05479	33.0
92.05804	1.3
93.07041	100.0
94.07363	3.8
94.07873	1.2
95.04971	13.9
105.04537	5.2
105.05119	1.0
105.07040	6.8
107.04951	2.9
107.08588	54.2
108.04469	1.1
108.08923	2.4
109.01097	2.9
109.06485	1.0
115.05424	1.2
117.07006	2.4
119.03580	1.5
119.06071	2.0
119.08636	1.6
135.05589	1.4
135.08066	16.0
135.11685	46.5
136.01160	2.1
136.02162	28.2
136.03871	1.5
136.05121	1.2
136.06171	18.5
136.07372	1.5
136.07542	1.3
136.12029	1.5
137.04579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07615	0.2
67.02988	0.6
71.44656	0.3
92.02468	0.6
94.04048	4.2
106.13057	0.2
109.05114	1.0
112.05082	0.5
119.03542	14.6
136.06174	100.0
137.04572	6.6
137.06598	1.3
154.81685	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
55.02991	0.2
67.02972	0.4
69.28121	0.1
70.85624	0.2
70.85989	0.2
82.04066	0.2
83.58392	0.1
92.02480	0.7
94.04047	3.4
109.05119	0.8
110.10676	0.1
112.05082	0.4
119.03540	11.9
120.03867	0.2
128.81502	0.1
136.06172	100.0
137.04579	5.4
137.06624	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79951	0.2
65.19530	0.2
67.02969	0.4
69.77239	0.5
69.77590	0.4
89.05652	0.2
92.02495	0.7
94.04045	4.1
97.24831	0.2
98.22723	0.3
109.05128	0.9
112.05060	0.5
119.03544	12.4
136.06174	100.0
137.04585	6.6
137.06592	2.0
138.04906	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	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
53.03932	0.3
59.62451	0.2
65.03943	0.3
67.02984	0.6
67.05492	0.5
70.20940	0.7
74.61523	0.3
78.12165	0.3
79.05488	0.3
80.05008	0.5
81.03415	0.3
88.44495	0.2
91.05473	1.4
92.02483	0.6
93.05762	0.6
94.04052	4.3
94.06512	0.3
95.04960	0.6
102.52254	0.3
108.04454	0.4
108.08080	0.7
109.01112	1.7
109.05126	0.7
109.06473	0.2
109.94614	0.3
118.06519	0.5
119.03542	11.6
122.03640	0.8
136.02150	23.6
136.06171	100.0
137.02394	1.2
137.03549	0.5
137.04581	6.0
137.05807	0.8
137.06619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	ACETANILIDE
Peak:m/z	Relative Intensity
51.02364	0.2
53.84301	0.2
56.12981	0.2
57.54439	0.2
64.78433	0.2
69.98789	0.3
69.99125	0.4
78.03448	1.9
80.05020	0.5
84.04505	0.3
91.05479	2.0
93.05777	0.4
94.06606	0.3
96.04492	28.9
97.04821	0.5
98.22768	0.3
98.75221	0.2
102.25323	0.2
108.04482	1.3
108.08104	0.6
118.06528	0.7
119.03570	0.6
119.04924	0.4
128.98332	0.2
133.22760	0.2
135.19341	0.2
136.06270	4.0
136.07573	100.0
137.07913	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02383	0.6
53.03939	1.0
55.01859	0.7
65.03937	2.2
66.04720	5.6
67.05491	1.8
67.84629	0.3
69.18245	0.7
69.18648	1.9
71.04963	0.3
77.03928	0.8
79.05499	4.4
81.07059	3.3
91.05476	5.6
92.05006	1.1
94.04184	47.8
94.06562	4.4
95.04482	0.5
95.04974	2.2
95.08597	1.3
96.04495	0.8
105.03372	1.1
105.04522	1.0
107.04938	1.7
109.06516	1.2
109.07616	0.4
109.10134	0.4
110.06017	3.7
116.24220	0.3
116.66145	0.3
119.04938	0.6
119.06087	0.4
122.03643	66.1
123.03949	2.0
133.12819	0.3
135.04416	0.9
137.02539	2.4
137.05968	100.0
138.01775	0.5
138.05472	19.1
138.06329	2.2
139.04062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
55.05495	0.7
59.59051	0.7
65.03937	7.3
67.05508	2.8
70.66293	1.1
79.05490	3.1
80.54068	0.6
81.03445	0.8
81.07052	5.4
83.65289	0.6
91.05474	100.0
92.05825	1.9
93.15264	0.8
94.04176	7.2
94.06571	1.4
95.04948	1.4
95.08585	1.7
107.04954	0.9
109.06523	4.4
109.10112	1.1
110.06054	1.2
118.54842	0.8
119.04939	29.7
119.08572	0.7
120.05261	1.4
121.02845	2.0
122.03645	9.7
128.50093	0.7
137.02499	3.9
137.05951	41.5
137.06882	1.4
137.09595	1.7
137.10663	1.0
138.01787	0.8
138.05487	5.6
138.06357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02386	0.6
53.03940	0.7
55.01859	0.6
65.03935	1.6
66.04720	6.0
67.05495	0.7
77.03946	1.2
79.05488	3.9
81.07042	2.1
91.05474	3.5
94.04181	42.5
95.04497	0.8
95.05024	1.5
95.08569	0.3
105.03389	0.7
105.04510	0.7
107.04939	1.3
109.06519	0.8
122.03637	64.0
123.03962	1.5
135.04424	0.6
137.05965	100.0
138.01697	0.2
138.06313	2.8
138.63634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02379	0.6
53.03935	0.6
54.58363	0.2
55.01865	0.5
60.48832	0.2
65.03934	1.7
66.04717	5.8
67.05505	0.5
69.25169	1.1
72.08177	0.2
77.03925	1.3
77.33260	0.2
79.05486	4.7
81.03405	0.2
81.07046	2.1
85.36050	0.2
88.95947	0.2
91.04935	0.3
91.05479	3.3
94.04179	42.6
95.04486	0.6
95.05013	1.3
98.22744	0.3
102.43639	0.2
105.03381	0.8
105.04508	0.6
107.04943	1.9
109.06507	0.8
118.10471	0.2
122.03636	66.3
123.03954	1.6
135.04399	0.9
137.05963	100.0
138.05429	0.3
138.06317	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	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02383	0.3
52.57325	0.3
55.49336	0.3
65.03939	7.2
66.27823	0.2
68.91429	0.2
70.99903	0.4
73.26208	0.3
79.05522	1.3
81.07059	2.3
89.03920	0.3
91.05477	100.0
92.05803	2.2
94.04178	1.8
97.08669	0.3
109.06527	2.7
119.04938	30.1
120.05297	0.8
122.03645	1.9
137.02504	0.5
137.05974	28.6
138.01743	0.3
138.06311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.03049	0.4
51.02380	0.8
51.85857	0.4
53.03951	0.6
55.01864	0.7
65.03934	1.6
66.04717	6.4
67.05505	0.7
70.50615	0.7
77.03928	1.3
79.05496	4.7
79.92249	0.4
81.03405	0.8
81.07042	2.0
90.13741	0.4
91.05473	4.4
94.04182	47.1
95.04495	1.2
95.04987	1.5
105.41631	0.4
107.04926	2.2
109.06495	0.8
122.03640	65.6
123.03970	1.6
135.04376	0.7
137.02510	2.4
137.05966	100.0
138.01772	0.6
138.05501	0.6
138.06335	2.7
138.09105	0.5
154.94267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02369	0.6
51.64980	0.4
52.69367	0.4
53.39285	0.5
53.56936	0.5
55.01873	0.6
56.23444	0.4
61.08093	0.4
65.03939	1.7
66.04726	8.1
67.05515	0.5
69.71027	0.8
69.71423	0.8
77.03920	0.9
79.05487	3.9
81.03440	0.4
81.07033	2.5
82.06583	0.6
91.05487	4.9
94.04186	50.7
95.04997	2.3
95.06079	0.4
105.04528	1.1
107.04948	2.0
109.06516	1.4
109.07656	0.6
110.06046	0.6
110.37778	0.4
113.55602	0.4
121.93368	0.5
122.03646	70.1
123.03970	1.5
135.04396	0.6
137.02533	3.2
137.05974	100.0
138.01776	0.9
138.05461	1.1
138.06375	2.7
138.09152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03943	2.6
53.13743	1.0
55.01855	1.2
55.05494	6.3
57.07067	12.4
60.25520	1.1
65.03930	3.4
67.05495	34.1
69.03412	2.0
69.07059	8.0
70.09350	2.4
77.03630	1.0
78.73351	1.0
79.05475	13.3
81.03420	1.8
81.07045	89.0
82.06602	1.6
82.07391	2.8
91.01708	1.0
91.05464	7.3
92.05003	3.5
93.05777	1.6
93.07022	10.0
94.04181	5.6
94.06560	17.3
95.04966	4.2
95.08594	96.7
96.04487	4.4
96.08941	1.8
102.39832	1.1
107.04936	1.3
107.08591	2.2
108.06875	1.4
108.09357	1.3
109.06517	3.1
109.07661	2.6
109.10133	9.5
110.06046	13.5
119.08575	1.1
120.04531	1.7
121.06503	1.3
122.03616	6.6
122.10983	1.0
123.06815	1.5
131.39433	1.0
137.02480	10.9
137.05995	10.9
137.07094	3.8
137.09601	7.2
137.10760	2.9
137.13237	9.6
138.01750	4.0
138.05481	100.0
138.09058	2.0
146.33031	0.9
146.44284	1.2
156.55203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03941	2.0
54.32043	0.7
55.05514	6.4
56.70844	0.8
57.07079	11.8
65.03930	2.5
66.04727	1.0
67.05502	32.1
69.03407	1.0
69.07064	6.8
71.00652	0.8
76.20358	0.8
79.05486	14.6
81.03404	1.3
81.07053	88.3
82.07372	2.3
85.87032	0.8
91.05467	6.0
92.05003	3.9
93.07047	8.9
94.04179	6.4
94.06569	14.5
94.07805	0.9
95.04955	3.0
95.08601	100.0
96.04484	2.7
96.08920	2.2
107.08595	1.2
109.06494	1.9
109.07643	1.2
109.10141	7.9
110.06041	12.4
117.20171	1.0
119.08596	1.6
120.04543	0.9
122.03635	7.4
124.25617	0.8
127.91669	0.8
137.02524	7.2
137.05881	14.2
137.09607	5.7
137.13217	9.8
138.01747	3.2
138.05493	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.3
53.03943	0.9
57.96834	0.3
62.66515	0.3
65.03933	1.5
66.78661	0.3
67.05499	1.2
68.05017	0.8
69.65968	0.8
70.15504	0.3
72.51225	0.3
77.43525	0.3
79.04224	0.3
82.06570	0.3
84.04507	0.3
87.17296	0.3
92.04999	4.2
93.05779	1.2
94.06564	19.3
95.04941	0.3
95.06888	0.4
96.04494	5.8
98.98494	0.5
110.06040	15.9
111.00770	0.3
111.06336	0.4
120.04467	0.4
121.02815	0.3
123.04023	0.3
125.85683	0.3
133.03436	0.4
138.01782	1.3
138.05495	100.0
138.09079	2.2
139.05852	2.2
154.04935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
63.39918	0.2
65.03947	1.1
67.05503	1.2
67.93055	0.2
68.05015	0.4
69.65607	0.6
69.65990	0.3
72.71169	0.2
78.03432	0.6
82.06582	0.3
92.05000	5.5
93.05769	0.9
94.06565	19.0
94.85622	0.2
94.99482	0.2
95.06865	0.4
95.75280	0.2
96.04492	4.3
98.98416	0.3
110.06039	13.6
110.44551	0.2
111.06385	0.4
121.03981	0.3
123.06860	0.2
133.03430	0.4
134.03046	0.3
138.05493	100.0
138.09009	1.4
139.05840	2.4
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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.02371	0.2
53.03936	0.7
61.39520	0.2
65.03936	1.2
67.05491	1.0
70.51953	0.4
78.03448	0.7
79.04250	0.3
91.90720	0.2
92.04448	0.4
92.05004	6.3
93.05791	0.9
94.06564	19.3
95.06870	0.4
95.26691	0.2
96.04491	4.1
97.04877	0.2
110.06038	13.3
111.06380	0.3
132.49524	0.2
133.03476	0.2
134.44327	0.2
136.03952	0.3
138.05493	100.0
139.05836	2.4
152.79570	0.2
154.05005	0.6
154.74757	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03943	0.5
65.03947	1.4
67.05495	1.1
69.21313	0.3
69.85933	0.7
73.26225	0.3
78.03436	0.4
79.04216	0.3
88.34048	0.3
92.05003	4.3
93.04564	0.3
93.05770	1.1
94.06562	23.1
96.04491	3.4
98.22818	0.4
110.06036	18.1
111.05611	0.3
114.78539	0.3
121.03986	1.1
121.06497	1.1
123.06800	1.1
138.05493	100.0
139.05020	0.4
139.05870	2.6
154.05011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25974	0.9
55.01868	4.2
56.96574	1.1
65.00293	4.0
67.01866	7.6
68.99790	80.9
69.08398	6.6
71.01360	10.1
85.22872	0.9
92.99763	50.3
95.52480	1.0
96.99209	1.5
98.22678	1.7
98.97562	4.0
98.98453	1.0
111.00801	100.0
112.01118	1.2
116.98627	2.4
134.99631	1.7
139.00261	58.1
140.00615	1.3
157.01350	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	141.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33472	0.4
70.33781	0.2
78.99502	9.3
95.49740	0.2
97.00545	0.4
102.12206	0.2
111.02016	0.2
113.00006	0.8
127.01561	100.0
128.01933	0.7
141.03107	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	141.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53445	0.2
62.55098	0.2
66.68296	0.2
70.80843	0.4
78.99503	8.9
82.84331	0.2
97.00536	0.4
109.00514	0.5
113.00021	0.8
117.84504	0.2
124.59479	0.2
127.01563	100.0
128.01915	0.9
129.02017	0.2
141.03108	35.1
142.03412	0.5
145.02666	0.3
159.06102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44886	2.7
56.51044	3.0
56.96207	2.7
64.36086	2.7
69.52854	2.5
70.26032	6.6
82.99831	3.1
98.23372	3.7
100.02504	5.0
101.00887	37.5
101.65382	3.3
114.42470	2.7
118.03513	11.0
119.01920	100.0
120.02038	4.7
124.02463	4.0
136.04543	6.8
137.02972	23.9
142.03531	15.5
160.04532	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90027	3.6
69.22577	7.4
69.22989	11.1
80.82526	3.2
82.99809	4.1
83.78773	3.4
89.01435	3.3
89.12596	3.0
91.01198	3.1
101.00876	37.1
118.03540	8.8
119.01919	100.0
119.02769	5.1
126.98940	3.1
135.29559	3.6
136.04536	7.3
137.02946	20.9
142.03500	20.9
160.04582	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24133	3.5
67.59722	3.8
68.05346	3.3
71.19512	4.3
73.60085	3.9
82.99824	5.0
100.38554	4.4
101.00870	33.8
111.20454	5.3
112.51006	3.9
118.03519	11.0
119.01910	100.0
120.43418	3.7
136.04648	4.5
137.02921	20.9
142.03508	22.9
160.04539	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	142.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60551	0.7
54.96586	0.7
55.01862	1.8
55.05504	2.1
56.05021	2.9
56.96550	3.2
59.05017	0.8
59.11493	0.7
60.04535	1.1
61.02912	1.3
64.27174	0.8
64.63744	0.7
68.05037	3.7
68.05356	0.8
69.03429	2.1
69.07034	0.8
69.18809	1.6
69.19223	2.9
70.06580	1.8
81.04525	2.9
82.06561	1.2
82.99857	1.1
83.01331	0.9
83.05002	1.0
83.06098	3.1
84.04486	0.9
84.08130	3.3
87.04459	1.0
95.06089	1.6
96.04500	1.6
96.08127	4.7
97.02876	1.9
98.97607	0.7
99.95472	0.7
100.02486	2.2
100.07626	1.7
101.00866	16.3
101.94958	1.0
110.02149	0.8
112.02457	0.8
114.04056	0.9
115.02423	3.4
117.03986	1.5
118.03510	8.8
119.01912	100.0
120.01994	1.6
124.02406	1.5
124.03902	1.4
124.07588	0.9
125.02347	1.8
125.07099	2.4
130.03503	1.6
131.53857	0.8
133.03455	3.2
135.05013	1.1
136.04544	10.5
137.02948	38.7
142.03488	18.0
142.04861	3.7
142.08620	3.9
142.12299	1.7
143.01712	0.8
143.03380	7.9
143.08098	1.4
143.11763	2.2
146.02965	2.2
148.04504	1.1
160.04547	17.7
164.07530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	1,1-Dimethylpyrrolidinium-2-carboxylate
Peak:m/z	Relative Intensity
50.39104	0.2
55.05497	1.3
56.05025	0.7
57.03423	0.4
57.04562	0.2
57.07061	0.8
58.06593	15.3
59.06932	0.3
60.08157	1.9
67.05505	1.8
69.03416	0.9
69.97646	0.7
70.04066	0.3
70.06586	8.7
71.04977	0.9
72.08134	1.0
75.13270	0.2
81.03448	0.3
83.05002	0.2
84.04504	1.7
84.08134	14.0
85.02884	0.7
85.06540	4.6
94.06535	0.3
97.02853	0.4
98.06056	2.3
98.09677	4.1
99.04431	0.9
102.00988	0.4
102.05526	2.3
112.08733	0.5
119.01909	0.4
120.01986	0.7
121.01663	0.8
127.52899	0.2
130.14847	0.2
137.02786	0.2
138.03012	0.3
144.10181	100.0
144.13805	1.5
145.10503	2.1
154.03236	0.3
162.88808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05253	0.7
55.05509	8.9
56.05015	0.4
57.03441	0.9
57.04549	0.8
57.07074	5.9
58.06599	6.9
59.07391	0.3
60.08164	12.8
60.08469	0.7
67.05501	11.7
68.05037	0.4
70.06589	100.0
70.10946	0.4
70.11294	0.8
71.04984	1.5
71.06926	1.3
72.08144	0.6
84.04494	2.4
84.08146	6.5
85.02873	0.4
85.06539	44.9
86.06873	1.1
88.07689	0.4
98.09703	0.9
99.04448	0.6
101.00906	0.5
102.00970	0.7
102.05579	0.7
103.00635	0.5
112.08721	7.3
119.01940	0.8
120.02007	2.4
121.01688	1.9
138.03104	0.7
139.02724	0.6
144.10196	43.8
144.11201	1.9
144.13826	9.7
144.14900	0.7
145.10577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29657	0.2
53.03942	0.4
55.05511	8.6
57.03440	0.7
57.04553	1.1
57.07073	5.4
58.06601	0.7
60.08164	13.2
65.03951	0.4
67.05504	12.0
68.05030	0.6
68.05844	0.3
70.06590	100.0
70.69919	0.3
71.04989	2.3
71.06322	0.2
71.06921	1.4
74.07198	0.7
84.04506	0.3
84.08113	0.2
85.06541	42.9
86.06876	0.4
88.07612	0.5
95.06120	0.4
112.08730	8.5
113.09043	0.3
117.02222	0.3
120.02045	0.4
121.01632	0.3
127.96244	0.2
144.11346	2.1
144.13829	9.6
145.14113	0.3
162.04323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05512	3.7
56.05020	0.9
56.66553	0.5
57.03437	3.5
57.04560	4.0
57.07073	19.4
58.06596	16.0
60.08163	40.6
65.03935	1.4
67.05503	38.5
69.03434	4.3
70.06592	36.6
71.04989	12.9
71.42751	0.9
72.08138	1.0
74.07188	2.7
76.96634	0.6
81.03423	0.7
84.04507	6.5
84.07674	1.0
84.08142	14.1
85.02899	8.1
85.06541	75.8
86.06871	1.8
88.07619	1.8
97.02888	2.4
98.06065	2.9
98.09702	1.6
99.04471	3.3
102.05566	1.9
103.00626	0.7
112.08717	1.8
113.51472	0.6
114.83222	0.6
120.02019	3.4
121.01640	3.3
124.13713	0.6
138.03000	0.9
139.02719	0.7
142.00865	0.6
144.10199	100.0
144.11200	4.0
144.13828	31.5
145.10527	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	144.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05512	3.7
56.05020	0.9
56.66553	0.5
57.03437	3.5
57.04560	4.0
57.07073	19.4
58.06596	16.0
60.08163	40.6
65.03935	1.4
67.05503	38.5
69.03434	4.3
70.06592	36.6
71.04989	12.9
71.42751	0.9
72.08138	1.0
74.07188	2.7
76.96634	0.6
81.03423	0.7
84.04507	6.5
84.07674	1.0
84.08142	14.1
85.02899	8.1
85.06541	75.8
86.06871	1.8
88.07619	1.8
97.02888	2.4
98.06065	2.9
98.09702	1.6
99.04471	3.3
102.05566	1.9
103.00626	0.7
112.08717	1.8
113.51472	0.6
114.83222	0.6
120.02019	3.4
121.01640	3.3
124.13713	0.6
138.03000	0.9
139.02719	0.7
142.00865	0.6
144.10199	100.0
144.11200	4.0
144.13828	31.5
145.10527	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	145.0258
Annotation	sodium benzoate
Peak:m/z	Relative Intensity
62.92971	0.9
63.84422	0.3
71.02991	0.5
75.00474	0.6
75.02361	0.8
78.27567	0.3
91.05476	3.4
95.02953	0.3
98.22688	0.6
105.07006	1.0
113.03989	3.3
117.05753	0.3
117.06984	0.6
118.06581	0.3
119.01038	0.6
119.04942	0.8
121.96626	1.8
123.03557	4.6
125.01979	2.4
130.07779	0.9
145.02583	100.0
145.10043	1.5
146.02928	2.5
146.05980	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	145.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01587	0.6
62.92981	1.1
63.02369	5.4
77.04343	0.3
79.05470	0.5
89.03909	100.0
90.04237	2.6
91.05474	0.5
101.03967	0.3
105.07027	1.1
113.01956	0.3
115.05400	0.6
117.03368	47.9
117.07010	1.2
118.03672	1.5
121.96636	2.2
129.04456	0.9
130.07753	0.4
135.04454	0.5
135.12981	0.3
145.02872	1.8
145.06465	0.5
145.10078	1.5
146.05952	0.4
158.05954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12175	0.6
52.11401	0.7
53.03933	1.1
58.67179	0.6
59.14902	0.6
62.92970	0.9
65.03931	0.9
67.05499	2.2
72.08150	0.8
79.05502	1.7
84.36543	0.6
90.27003	0.6
91.05478	26.4
92.05830	0.7
94.50769	0.6
103.05460	3.2
105.07026	64.5
106.07368	1.2
115.05446	16.2
116.06274	4.1
117.07015	48.3
121.96619	1.5
128.06215	5.3
129.07010	9.8
130.07790	42.4
131.08145	0.9
133.38895	0.6
134.68631	0.7
143.08563	10.7
145.06480	11.0
145.10117	100.0
146.10411	3.5
155.06027	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.13342	0.6
56.48267	0.6
59.12225	0.6
62.92973	1.2
65.03951	0.8
67.05488	2.0
70.21503	1.3
72.26971	0.6
79.05476	1.5
91.05473	21.7
91.81948	0.7
98.23403	0.8
103.05450	2.6
105.07027	58.6
106.07375	1.5
107.42850	0.7
115.05451	13.3
116.06233	3.3
117.07012	42.4
118.07342	1.1
121.96626	2.6
128.06178	6.2
129.07005	9.1
130.07780	38.8
131.08115	1.2
132.13805	0.7
143.08565	10.8
145.06491	11.1
145.10118	100.0
146.06918	0.8
146.10417	4.3
155.06084	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	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
62.92981	3.2
63.50038	0.7
67.05505	2.3
70.90647	1.3
71.70720	0.7
76.39472	0.8
79.05483	3.0
88.79220	0.7
91.05473	27.2
92.05827	0.9
93.97327	0.8
95.67272	0.8
101.58447	0.8
103.05455	3.0
105.07020	66.3
106.07344	1.0
115.04654	0.8
115.05447	15.5
115.29775	0.9
116.06229	4.1
117.07006	47.6
118.07349	1.6
121.96629	5.8
128.06207	8.2
129.06219	0.9
129.07030	9.2
130.07782	44.9
131.08124	1.2
143.08549	10.3
143.47232	0.7
145.06445	9.7
145.10109	100.0
146.10449	2.1
155.06015	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	145.1221
Annotation	Ethyl caproate
Peak:m/z	Relative Intensity
53.22169	1.5
55.05519	3.9
57.03436	2.1
62.92977	7.6
63.02407	2.0
67.05498	5.2
69.03428	2.9
71.05026	2.0
71.08629	100.0
72.08950	2.1
73.21574	1.4
83.43702	1.7
89.03912	29.5
90.04240	2.4
91.05473	3.6
96.73734	1.8
99.08087	46.6
105.07014	4.8
114.21287	1.5
115.05467	4.4
117.03386	12.2
117.07011	4.5
121.96650	6.2
122.12642	1.6
127.11181	20.1
130.07794	4.3
145.02953	1.7
145.06519	2.7
145.10132	8.9
146.06027	2.4
149.78598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05506	5.7
57.03429	4.1
57.94253	1.6
58.06579	2.4
62.92984	4.6
67.05502	6.9
69.03419	5.8
69.99597	5.1
70.25381	1.8
71.08633	100.0
72.08141	3.9
72.08984	2.3
81.03452	1.9
85.02887	3.0
89.03913	5.8
91.05462	9.8
92.05809	1.9
98.22821	2.1
99.08095	30.3
103.05490	2.0
105.07034	28.8
115.05438	5.9
116.06241	2.2
117.03349	3.2
117.07024	14.8
121.96627	7.2
127.11201	12.5
128.06273	3.0
129.06978	3.8
130.07788	21.3
143.08545	4.4
145.06499	5.0
145.07588	2.7
145.10115	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1223
Annotation	Ethyl caproate
Peak:m/z	Relative Intensity
53.03925	1.1
55.01856	1.8
55.05507	4.8
57.03424	2.7
59.63815	0.8
61.32712	0.8
62.92976	0.9
67.05505	6.1
69.03419	3.7
69.07059	0.9
71.04977	1.0
71.08627	100.0
72.08163	4.0
72.08960	1.2
81.03423	0.9
81.07055	1.8
84.08128	1.4
85.02901	5.1
86.09726	0.9
89.03915	0.9
91.05466	2.6
97.02882	3.8
99.04430	1.0
99.08083	35.8
105.07022	3.1
109.10123	2.0
115.05434	2.9
117.07019	2.6
118.06529	4.6
121.96661	1.0
127.11187	11.4
127.45492	0.9
129.69986	0.8
130.07765	2.0
145.06410	1.0
145.10120	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	146.0601
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
51.69921	0.6
55.05513	1.4
56.05030	1.7
57.03434	1.9
58.06605	6.5
64.67198	0.6
65.03941	0.9
67.05508	2.6
69.07063	1.0
69.72625	2.0
70.06580	5.5
70.88026	0.7
72.08153	54.1
73.08516	0.8
75.09251	1.5
81.03404	0.9
82.06571	0.6
83.04982	0.8
84.04501	26.1
84.08137	10.5
86.06039	3.2
87.04472	2.3
91.05476	29.2
91.08909	3.9
92.05789	0.7
95.04989	0.9
95.08592	0.8
100.07661	1.4
103.05460	0.7
103.20454	0.6
104.90790	1.3
110.09675	1.2
112.09386	0.8
112.11233	14.7
117.05747	6.6
118.06536	100.0
119.04922	1.9
119.06097	0.7
119.06866	3.0
119.08573	0.9
123.08607	6.8
123.09328	0.8
123.58775	1.1
124.09455	0.9
124.11183	0.6
124.59175	0.8
124.76502	0.7
128.04941	9.1
128.07111	0.9
129.13879	2.3
130.05009	7.8
134.09669	0.7
137.10172	3.5
137.60435	0.8
137.65942	0.6
146.05998	31.7
146.07132	1.5
146.07953	1.3
146.09196	1.1
146.91815	1.2
147.04436	1.5
147.05496	1.3
147.09154	1.0
152.10664	1.1
155.11804	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	146.1652
Annotation	Spermidine
Peak:m/z	Relative Intensity
55.05501	0.8
56.05026	0.7
58.06596	9.2
71.33075	0.5
72.08149	100.0
73.08484	1.4
75.09231	2.3
83.54053	0.5
84.04498	8.0
84.08138	12.2
86.06072	0.8
104.90839	0.4
112.11230	21.6
113.11571	0.8
129.13872	4.0
130.05003	2.6
146.08110	0.7
146.16531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.31387	0.8
56.05025	2.2
57.56063	0.7
64.26732	0.7
64.92805	1.4
65.03941	11.7
69.24016	4.7
70.61388	0.7
72.08139	1.1
76.56142	0.7
84.04501	41.7
91.05477	100.0
92.05800	2.3
105.07037	2.2
112.99258	0.7
119.04939	92.4
119.08577	4.0
120.05298	2.1
123.96438	1.4
130.04988	10.3
147.04411	33.4
147.05518	3.0
147.08066	0.9
147.11729	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	147.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.7
56.05032	3.6
56.94595	1.7
57.03439	18.2
60.05648	3.0
61.02917	3.9
61.15443	1.7
65.03928	3.5
69.03410	2.3
69.91966	1.8
70.06597	11.3
70.18566	2.9
70.18898	2.4
71.01347	1.8
71.04990	67.1
72.08154	5.1
73.02912	4.9
75.04484	4.3
83.05014	3.9
83.08092	1.8
83.48140	1.9
84.04501	100.0
84.08138	2.7
85.02901	73.2
91.05477	38.6
92.25350	1.8
93.42307	1.5
99.04437	1.6
102.05540	2.1
103.05473	3.4
112.67899	1.6
119.04942	20.6
119.08572	3.9
120.56750	1.6
130.04996	26.2
130.09752	4.5
147.04420	23.3
147.05522	4.2
147.08070	3.7
147.09160	3.5
152.27423	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	147.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.5
55.01836	4.9
55.05508	5.7
57.03438	25.8
61.02918	4.8
65.03931	12.9
70.06578	4.7
70.16872	12.2
71.04990	74.1
73.02882	4.7
73.60876	3.4
75.04467	8.6
83.04954	6.4
84.04025	6.3
84.04506	100.0
85.02905	82.0
87.04419	3.6
89.62775	4.0
91.01823	4.6
91.05479	97.5
102.05553	3.6
105.07034	12.2
117.06999	5.3
119.04934	60.6
119.08575	15.3
129.31281	3.7
130.05017	24.6
132.05649	5.0
147.04385	41.7
147.05519	10.5
147.08026	14.7
147.09082	7.4
161.89323	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	147.0765
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
54.60352	0.7
56.05033	4.0
58.06587	0.9
64.90965	0.6
70.09853	0.7
70.10169	1.1
71.47698	0.6
72.08158	6.4
73.08491	3.3
73.08823	0.7
84.04498	100.0
84.08138	5.5
85.02902	1.2
85.04841	1.3
85.08482	0.7
101.07140	2.6
102.05535	3.0
113.11572	1.3
130.04996	24.1
151.48157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	3.5
56.60679	0.4
60.05631	1.9
60.08157	0.8
69.03423	0.4
70.06589	7.0
71.04990	2.9
72.08149	2.2
73.08475	1.5
84.04496	100.0
84.08131	8.7
85.02906	1.3
85.04820	1.4
86.06048	0.8
87.04440	0.4
87.06395	0.9
88.04805	1.0
88.07643	0.7
101.07124	2.2
102.05518	3.4
113.11581	0.7
130.04991	27.4
130.08723	1.0
130.09761	3.6
131.05336	0.7
147.05508	0.6
147.07549	0.6
147.11713	1.0
148.11440	0.7
149.01373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70454	0.3
53.56819	0.3
58.32172	0.3
59.88776	0.3
64.92802	0.7
65.03941	0.7
69.03437	0.3
69.15486	0.5
69.15903	1.3
77.03898	0.4
77.86469	0.2
79.05489	2.2
79.12708	0.3
84.04501	1.4
91.05476	31.1
92.05824	0.7
93.07046	1.9
95.04955	0.9
98.30185	0.2
103.05458	3.4
104.06242	2.0
105.04519	0.5
105.07043	1.4
107.04959	0.4
109.06521	0.4
115.05431	1.7
117.07014	18.8
118.07340	1.0
119.08570	100.0
120.04447	0.3
120.08893	3.0
121.06503	0.5
123.96459	1.1
128.06218	1.3
129.06990	8.1
130.04930	0.4
131.06006	0.4
132.05701	1.0
141.36699	0.3
146.91827	0.3
147.04446	0.6
147.05563	1.2
147.08040	13.1
147.09003	0.6
147.11662	0.8
155.06064	0.4
169.29672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
64.92816	0.5
65.03921	0.3
76.58295	0.3
77.03923	0.4
79.05489	1.5
80.55573	0.2
84.04520	0.6
91.05477	29.5
92.04991	0.3
92.05817	0.5
93.07044	1.9
95.04951	0.5
103.05466	3.7
104.06263	2.7
105.04490	0.4
105.06959	0.5
109.06542	0.7
114.54912	0.3
115.05445	1.5
117.07016	19.8
118.07368	0.7
118.97243	0.3
119.08575	100.0
120.08907	3.3
123.96450	0.7
128.06235	1.5
129.06989	6.8
131.06097	0.4
132.05699	0.8
147.05531	1.0
147.08044	15.3
148.08452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
64.92817	0.3
65.03941	0.5
66.69477	0.2
69.68243	0.8
77.03931	0.4
79.05493	1.8
79.40201	0.2
91.05476	29.3
92.05797	0.7
93.07047	2.0
95.04961	1.0
98.23327	0.4
103.05463	4.2
104.06228	2.0
105.04525	0.3
105.07047	1.5
107.04943	0.5
109.06493	0.3
115.05453	1.6
117.07016	20.6
118.07343	0.7
119.08575	100.0
120.08910	3.0
121.06559	0.2
123.96441	0.6
125.63015	0.2
128.06236	1.3
129.06998	6.4
131.05988	0.3
132.05711	1.4
147.05550	0.8
147.08041	14.6
147.11667	0.8
148.03804	0.2
148.08409	0.4
155.06064	0.3
158.67181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03942	1.3
55.05258	1.0
55.05507	16.3
57.01787	0.5
62.17728	0.6
64.92834	0.7
65.03927	1.0
67.05493	4.2
69.07056	3.6
69.31575	2.4
77.03915	1.1
79.05485	9.2
81.07062	3.2
86.06168	0.6
88.18608	0.6
91.05471	30.1
92.79104	0.7
93.07036	4.1
95.04958	2.1
103.05431	3.2
105.07018	100.0
106.07359	2.6
107.08572	4.0
117.06274	0.8
117.07010	8.5
118.07854	0.9
119.08567	87.1
120.08934	3.1
120.09626	0.6
120.69255	0.6
123.96455	1.2
129.07021	0.6
130.07719	1.0
131.08510	1.9
132.09355	3.0
145.10123	6.4
147.11668	52.6
148.12009	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.05259	0.6
55.05508	9.3
64.92794	1.4
65.03950	0.7
67.05500	2.6
69.07059	1.8
69.30473	2.7
79.05490	6.1
81.07033	1.4
91.05476	37.4
92.05794	0.9
93.07052	3.6
95.04961	1.8
98.23527	0.9
103.05468	3.4
104.06225	2.2
105.07025	67.8
106.07348	1.7
107.04932	1.1
107.08580	2.4
110.95095	0.5
115.05447	1.2
116.06223	0.6
117.07008	14.3
118.07794	0.6
119.08571	100.0
120.08891	4.0
123.96452	1.9
124.97585	0.6
128.06194	0.9
129.07004	2.4
130.07722	0.5
132.05685	2.2
132.09363	1.8
132.11847	0.5
145.10094	5.3
147.05507	0.9
147.08047	10.3
147.09174	1.2
147.11681	33.9
148.12045	1.3
149.53583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05506	12.8
64.92805	0.9
67.05499	5.1
69.07058	3.5
69.99077	1.6
77.03900	1.1
79.05483	10.4
81.07043	3.0
84.04520	0.8
91.05476	36.0
93.07037	4.3
94.60515	0.9
95.04979	1.9
103.05462	3.9
104.06235	1.1
105.07023	100.0
106.07346	2.5
107.08582	3.0
115.05481	1.1
117.07001	10.2
119.08572	98.0
120.08902	2.3
123.96478	1.0
131.08598	1.7
132.09337	3.2
135.57771	0.8
145.10117	6.9
147.05594	1.1
147.11678	55.8
148.12001	1.6
168.95461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05509	10.1
58.01720	0.6
58.62709	0.6
64.92794	4.2
65.03923	0.6
67.05492	2.1
69.07052	2.2
77.03925	0.8
79.05489	6.1
81.07043	1.3
84.04468	1.4
89.28981	0.6
91.05470	22.6
93.07035	2.8
95.04959	1.6
98.23454	2.1
101.36536	0.7
103.05454	3.0
104.06258	0.7
105.07018	100.0
106.07333	3.8
107.08590	2.8
115.05465	0.9
116.06231	0.7
117.07024	8.0
118.07835	0.7
119.08567	74.3
120.08885	2.9
121.10108	0.6
123.96447	5.0
130.07843	0.7
131.08566	1.8
132.09315	3.6
145.10109	7.6
147.05533	1.4
147.08075	1.4
147.09204	1.6
147.11676	41.4
148.11980	1.3
155.98502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.01563	0.8
52.61055	1.1
53.03940	1.3
55.05507	10.9
57.07906	0.8
64.92806	5.2
65.03928	1.2
67.05492	2.5
69.07057	2.1
69.25768	0.9
71.43543	1.0
75.97023	0.8
79.00578	0.8
79.05487	6.7
81.07063	2.5
84.04501	9.1
91.05473	31.9
92.05753	1.0
93.07034	2.8
95.04955	2.5
103.05482	4.7
104.06284	1.0
104.90773	1.3
105.07021	100.0
106.07355	3.1
106.37035	0.9
107.08587	4.0
115.05422	1.7
116.06214	1.4
117.06996	12.6
119.08570	93.5
120.08897	1.9
122.54576	0.8
123.96451	9.5
129.06999	1.5
130.04933	0.8
131.08615	1.2
132.09351	2.8
145.10117	7.3
147.05505	7.1
147.08035	5.8
147.09181	3.5
147.11678	48.4
147.12863	2.3
148.12029	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	148.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96896	0.4
56.02498	0.3
60.05648	23.9
61.87783	0.3
63.81418	0.4
67.44865	0.4
70.06591	100.0
70.70882	0.7
71.04992	36.8
71.06922	1.1
72.05340	0.5
86.46634	0.4
87.95711	0.4
88.07630	5.1
112.08736	4.2
119.40689	0.4
130.09763	45.3
131.10117	0.7
144.81197	0.4
148.10818	3.0
149.02341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03537	0.5
55.75252	0.4
56.82672	0.4
60.05645	21.5
65.03931	2.0
68.05053	0.7
70.06588	100.0
70.51253	0.9
71.04989	39.9
71.06921	1.1
72.05308	0.7
84.04495	1.0
85.04842	1.2
85.41477	0.4
88.07627	6.8
93.03387	0.7
112.08732	3.3
118.25986	0.4
121.02859	2.9
121.04018	1.4
130.09755	48.9
131.10159	0.7
148.10771	3.6
149.02341	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	148.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05648	25.2
65.03941	4.3
70.06590	100.0
71.04992	40.3
71.06920	1.6
74.93631	0.5
88.07632	5.9
93.03395	1.3
98.22764	0.6
112.08726	4.6
121.02870	5.7
121.03987	2.3
130.09760	50.5
148.10808	4.0
149.02327	11.2
154.23651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03925	1.9
55.05507	7.0
65.03937	46.3
66.28543	0.8
67.05497	19.9
69.07063	12.0
69.56062	2.5
69.56447	1.7
77.03915	1.6
79.05490	38.2
80.05067	0.8
81.03421	2.6
81.07050	55.3
83.08615	1.4
89.13880	0.9
91.05476	20.1
93.03397	11.9
93.07038	53.4
94.07378	2.0
95.04962	8.1
95.08604	9.5
105.03354	1.0
105.04514	3.3
105.07035	6.1
107.04947	36.6
107.08589	43.1
108.04447	3.6
108.05199	1.5
108.08926	2.0
109.06527	1.9
111.04446	9.2
119.04945	1.5
119.08565	1.0
120.05704	4.1
121.02859	52.6
121.03975	20.4
121.06455	1.1
121.10146	11.5
122.03194	2.2
122.06080	1.1
126.05482	1.0
143.74974	0.9
149.02335	100.0
149.07072	1.6
149.09613	12.5
149.13255	27.2
150.02664	3.4
150.03738	1.2
150.13620	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.24133	1.3
53.03936	3.1
55.05515	12.6
57.07058	1.2
61.56728	1.2
62.88732	1.2
64.91817	1.2
65.03930	9.4
67.05164	2.0
67.05502	34.5
69.06767	1.6
69.07071	19.0
69.75349	1.3
77.03925	2.8
79.05489	62.7
81.07053	100.0
82.82320	1.3
83.08607	5.4
88.61835	1.2
91.05477	24.3
93.03400	2.1
93.07041	97.6
94.07377	1.8
95.04424	1.5
95.04951	8.3
95.08606	18.0
98.23457	2.8
105.04520	2.4
105.07033	8.0
107.08589	79.4
109.06524	3.0
117.73763	1.4
119.06093	2.6
121.02855	11.0
121.03958	4.1
121.10147	23.6
122.20052	1.5
145.33540	1.4
147.11760	1.5
149.02328	18.3
149.09572	2.9
149.13249	49.4
150.13568	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03942	3.9
55.05294	1.2
55.05509	14.5
65.03934	28.3
67.05499	35.9
69.06710	1.6
69.07061	19.5
70.16638	1.1
70.16980	2.5
77.03923	4.0
77.95784	1.2
79.05486	72.9
81.03429	2.9
81.07050	94.3
83.08599	6.1
88.69791	1.3
88.99081	1.1
91.05472	31.4
93.03391	6.2
93.07036	100.0
94.07360	1.9
95.04961	9.1
95.08591	14.9
105.04507	3.8
105.07020	8.5
107.04943	34.5
107.08582	79.6
108.05254	1.5
108.08852	1.3
109.06497	1.8
111.04435	5.2
116.38037	1.2
119.04974	1.7
119.06004	1.9
119.08583	2.7
120.05694	7.7
121.02858	30.7
121.03963	10.6
121.06507	1.7
121.10130	22.8
122.03199	1.4
126.05462	1.4
149.02333	54.1
149.09602	15.3
149.13235	51.3
150.02611	1.8
150.13515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0583
Annotation	L-Methionine
Peak:m/z	Relative Intensity
53.03960	0.3
55.01870	0.3
56.05032	100.0
56.96559	1.4
57.03425	0.8
57.05360	1.0
58.99582	0.8
61.01146	65.2
61.52060	0.2
62.01485	0.4
65.03944	1.0
66.04279	1.1
67.05499	1.4
69.03423	0.2
70.06596	1.0
74.02435	7.2
74.06074	7.4
74.99060	0.7
75.02697	0.7
77.00615	0.6
79.05498	0.4
80.05015	0.2
84.04498	3.4
85.01128	0.6
85.02899	3.5
87.02684	13.4
88.07632	1.0
88.55899	0.2
89.04247	0.4
91.02168	0.3
91.05482	0.3
94.03735	0.2
94.06563	3.9
95.04954	0.2
96.04552	0.3
97.52107	0.2
102.05533	18.0
103.02446	0.4
104.05320	51.5
105.00082	1.0
105.03750	1.6
105.05669	0.8
105.07031	0.4
106.06540	1.2
107.08550	0.2
107.58289	0.2
108.04455	0.2
109.05128	0.7
110.00890	0.3
112.04823	0.3
115.02319	0.4
119.01911	0.4
120.32267	0.2
121.02834	0.5
122.03199	2.5
122.04313	0.8
122.06019	2.6
122.06882	0.3
123.04427	0.2
128.01930	1.7
132.05080	0.2
132.10217	0.2
133.03177	34.1
133.05168	0.9
134.03474	0.4
145.03461	0.5
146.02975	5.0
147.01398	0.6
149.97273	0.3
150.02679	7.3
150.03656	0.5
150.05612	6.4
150.07739	16.0
150.09013	0.9
150.11232	0.6
151.06197	0.2
151.08737	0.4
163.04533	0.2
164.04071	0.2
168.00844	0.3
168.06541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02375	0.8
52.03174	1.1
53.03947	1.8
55.01875	5.5
65.03941	17.8
67.05505	15.0
68.99797	0.4
69.29484	1.3
69.29889	0.6
77.03931	5.1
80.02652	2.8
84.02166	0.3
91.05495	1.3
93.03429	0.9
95.04969	12.7
99.80980	0.3
105.04513	3.3
105.07028	0.7
108.02097	22.8
109.02948	1.7
110.90329	0.3
111.04430	4.1
112.01606	0.5
119.04940	0.7
121.03989	2.7
123.04401	1.9
133.10173	0.3
134.64226	0.4
136.01553	2.7
141.04677	0.3
141.05469	16.0
151.03911	100.0
151.05046	50.1
152.04272	2.4
152.05408	1.0
162.44385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02366	0.7
52.03146	0.9
53.03950	2.1
55.01868	6.6
55.05497	0.5
57.23350	0.4
58.04639	0.4
62.34143	0.4
65.03596	0.9
65.03941	16.8
67.05504	13.6
69.86864	1.3
77.03922	4.5
79.01835	0.4
80.02629	3.5
81.03407	0.5
81.07032	0.7
85.48094	0.5
91.01895	0.4
91.05480	3.0
93.03398	1.5
95.04967	11.7
96.05260	0.5
105.04510	3.6
105.07069	0.5
108.02095	25.1
109.02882	1.2
109.06498	0.9
111.04424	4.2
119.04921	1.7
121.03989	2.8
123.04433	1.8
136.01537	2.9
141.05464	13.3
151.03900	100.0
151.05035	47.3
151.07527	1.8
151.11188	0.8
152.04263	2.8
152.05409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0385
Annotation	Piperonal
Peak:m/z	Relative Intensity
50.01603	0.5
51.02384	0.5
52.03165	1.1
53.03940	1.4
55.01619	0.4
55.01871	5.6
57.03431	0.4
60.31897	0.3
60.77789	0.3
65.03938	16.6
66.04268	0.4
67.05502	13.8
69.53183	0.3
69.77295	1.1
71.01340	0.4
77.03920	3.0
77.24505	0.3
79.05439	0.3
80.02630	2.1
91.05482	0.5
93.03397	1.1
95.04965	12.0
98.03658	0.4
98.07475	0.3
98.23475	0.6
105.04519	3.3
105.07039	0.5
108.02092	21.1
109.02919	1.5
109.10150	0.3
111.04430	3.8
112.01521	0.5
115.47205	0.3
121.03986	2.3
123.04430	1.6
136.01517	2.6
141.05455	14.0
151.03885	100.0
151.05020	48.7
152.04254	2.5
152.05359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	7782-26-5
Peak:m/z	Relative Intensity
53.03936	1.1
55.01878	2.6
56.78061	0.5
57.03457	0.5
62.63885	0.5
65.03943	4.1
67.05498	6.9
68.99805	0.5
69.75466	1.2
69.75859	0.9
74.91400	0.5
77.03913	3.0
79.05492	20.9
80.02637	0.6
81.03401	0.7
81.07047	0.6
91.05479	2.1
93.03468	0.5
93.07025	0.8
95.04972	8.0
95.08615	3.6
103.05464	10.5
103.06111	1.0
105.04531	1.7
105.07026	100.0
106.07370	1.6
107.09381	0.5
108.02103	5.2
108.05717	1.2
109.06498	0.9
111.04453	1.1
111.48489	0.7
115.05422	0.7
118.04131	0.6
121.03992	0.9
123.04420	1.7
123.08063	4.7
131.04909	0.8
133.06488	42.8
134.06842	1.0
141.05466	3.2
151.02673	1.1
151.03883	21.2
151.05025	12.4
151.07532	48.6
152.04242	0.8
152.07852	1.0
168.31705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03938	0.6
55.01863	0.6
55.99419	0.4
65.03938	6.3
67.05501	1.8
69.86352	0.8
69.86713	0.8
77.03936	0.5
79.05501	1.7
80.02643	0.7
80.06270	1.6
91.05476	100.0
92.05830	2.2
94.09256	0.4
95.04965	8.1
103.05479	0.7
105.04539	0.8
105.07032	0.7
107.04952	0.8
108.02132	2.4
108.05758	2.6
108.99578	0.3
118.90469	0.4
119.04939	46.5
120.05300	1.1
120.98633	0.3
123.04511	0.4
123.08084	0.6
136.05190	10.3
137.06000	3.8
141.05461	1.4
151.03891	8.0
151.05037	4.9
151.07536	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-tert-Butylphenol
Peak:m/z	Relative Intensity
53.03930	0.4
55.05508	0.7
57.03422	0.3
57.06824	0.3
57.07076	4.0
63.21170	0.3
65.03939	0.6
66.04713	0.4
67.05500	4.2
69.07061	0.7
71.43027	0.4
76.57174	0.3
78.44620	0.3
79.05484	1.5
81.03416	13.2
81.07049	1.8
81.54383	0.3
83.04983	0.6
91.05467	0.6
93.06996	0.4
94.04178	9.5
95.04967	16.3
95.08598	1.0
105.07021	0.8
106.06553	0.4
107.08629	0.4
109.06488	0.9
123.07990	0.3
151.02893	0.5
151.11171	100.0
152.11530	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Guanine
Peak:m/z	Relative Intensity
51.75704	0.2
53.88306	0.2
55.02995	0.7
56.32263	0.3
60.08126	0.4
65.03947	0.3
69.14266	0.2
70.39130	0.5
79.05475	0.4
80.02480	0.3
82.04063	0.7
87.13378	0.3
92.04993	1.3
93.05774	0.6
96.04440	0.4
97.52525	0.3
106.06552	0.4
107.03542	0.6
108.08105	0.3
109.05145	1.7
110.03514	14.1
110.06036	2.2
128.04549	4.8
134.04576	1.3
134.06013	0.6
135.03006	25.4
136.01363	0.5
138.05444	0.3
152.05666	100.0
152.07025	24.0
153.04059	29.4
153.05865	1.7
154.04439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Paracetamol
Peak:m/z	Relative Intensity
56.96558	0.3
57.03436	1.4
57.15774	0.2
58.06595	0.8
59.04998	0.3
59.07376	0.4
60.05354	0.4
60.07866	0.5
60.08158	5.7
61.02914	1.1
62.03254	0.4
63.02705	0.5
65.03925	0.6
67.05492	0.3
68.05035	0.3
79.05499	0.8
82.04046	0.3
82.06573	0.3
83.14645	0.2
90.06319	0.3
92.04989	4.1
93.01068	2.4
93.05791	1.9
94.06575	0.3
94.93010	0.8
96.04494	0.5
96.08122	0.6
107.06077	0.3
107.07334	0.3
108.08125	0.7
109.05161	1.2
110.03518	4.4
110.06033	9.0
110.91431	0.2
122.06036	2.3
122.94549	0.2
123.06805	0.7
124.07589	0.9
125.04714	0.3
128.04564	1.6
134.04594	0.5
134.06012	3.3
135.03015	3.1
138.05522	0.8
147.01387	0.4
147.03065	0.5
152.03537	1.8
152.05707	29.2
152.07065	100.0
152.08356	36.5
153.04060	9.9
153.07404	2.1
153.08716	0.6
163.40938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Paracetamol
Peak:m/z	Relative Intensity
53.22010	0.2
55.02991	0.5
55.85840	0.2
56.05028	0.2
56.96554	0.4
60.08144	0.4
65.03927	0.9
66.04729	0.2
66.91795	0.2
67.05482	0.5
70.88621	0.2
82.04032	0.3
92.04989	5.4
93.05774	2.0
94.06586	0.5
106.06496	0.2
107.07326	0.3
108.08112	0.7
109.05140	1.6
110.03513	9.4
110.06026	6.7
122.06012	1.5
123.06797	0.6
124.07603	0.3
125.04709	0.4
128.04538	3.1
128.05412	0.3
130.92560	0.2
134.04625	0.9
134.06032	1.4
135.03003	14.8
136.01404	0.3
138.05460	0.7
152.05672	63.8
152.07036	100.0
153.04060	19.8
153.06026	0.7
153.07303	2.3
153.08484	0.3
154.02431	0.3
154.57076	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	153.0546
Annotation	Vanillin
Peak:m/z	Relative Intensity
51.74679	0.3
55.01862	0.5
55.05503	1.3
55.62271	0.3
57.03436	0.4
64.99771	0.4
65.03938	63.3
66.04276	0.8
67.05506	5.7
68.96342	0.4
69.03428	1.0
69.07061	0.6
69.87894	0.6
69.88270	0.7
70.94266	0.5
70.95852	0.8
71.04980	0.6
71.95271	0.3
72.96986	0.3
73.43356	0.3
79.05487	5.4
81.03415	0.7
81.07059	2.3
83.04978	1.4
83.06078	0.4
88.96918	0.3
91.05476	3.3
93.03401	32.0
93.07031	1.5
94.03722	0.6
95.04957	2.6
95.08593	0.3
97.06525	1.1
98.22822	0.5
105.04485	0.4
105.07021	1.7
107.04958	1.4
107.06095	0.5
107.08591	14.4
108.04468	0.3
108.08144	0.4
109.02879	0.4
109.06517	1.6
109.10155	3.8
110.03656	9.4
111.04436	100.0
111.08055	0.8
112.04771	1.6
117.07031	0.6
119.06076	0.8
121.06493	0.3
125.05985	36.2
125.09614	5.2
126.06326	1.2
127.01566	4.3
130.96275	0.7
133.70676	0.3
134.06012	1.3
135.08047	2.1
135.11662	0.8
136.03902	0.5
136.12045	0.4
148.97353	0.9
153.01964	0.7
153.03195	0.8
153.05460	11.3
153.06564	1.1
153.09085	1.7
153.10167	0.6
153.12729	0.4
153.13834	0.7
154.04950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
55.01868	0.8
55.05511	1.2
56.82250	0.7
65.03939	56.6
67.05495	2.4
68.96322	2.4
69.03416	2.1
69.07056	1.6
69.38824	3.9
70.06572	1.3
70.94255	3.2
70.95856	1.2
71.05009	0.8
79.05502	3.8
80.04994	1.4
81.07049	1.3
82.06590	1.1
83.04964	3.1
86.97367	0.9
91.05492	1.1
92.05002	0.8
93.03400	25.0
93.07033	3.0
94.06560	0.9
95.04976	6.2
95.06087	1.1
96.08144	1.0
97.02853	0.8
97.06528	2.1
98.23443	1.4
107.04951	3.3
107.06070	1.5
107.08575	2.9
108.04465	1.6
108.08130	1.2
109.02811	0.9
109.06556	1.0
109.98965	1.1
110.03653	8.9
111.04437	100.0
111.08079	1.5
112.03984	1.1
112.04771	2.3
121.02867	1.0
124.05220	0.8
125.05988	34.9
125.09618	0.9
126.05478	1.6
130.96326	2.6
135.04451	1.7
135.05455	1.1
135.08107	1.6
135.09161	1.0
136.03935	2.9
136.07523	1.7
138.03056	0.8
148.97369	7.3
153.05455	12.1
153.06587	4.4
153.07622	0.8
153.09099	1.8
153.10234	2.8
153.12779	1.4
154.04982	6.7
154.08594	1.1
157.48038	0.8
168.59314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
51.82803	0.8
55.01868	1.3
55.05507	12.9
57.03443	4.0
57.07059	2.4
65.03922	1.0
67.05501	31.5
69.03419	1.7
69.07066	47.2
69.60096	1.8
69.60489	2.1
70.45207	0.8
70.95867	1.5
71.04977	3.0
71.95264	10.7
79.05487	31.6
81.07053	36.8
81.53660	0.8
83.04967	5.4
83.06114	0.9
83.08613	6.2
85.06547	2.0
91.05476	6.6
93.07042	47.9
95.04961	3.1
95.08606	19.8
97.06525	16.9
105.04488	1.8
105.07018	1.6
107.08586	46.6
109.10151	34.3
111.05544	1.2
111.08069	9.1
111.11697	1.0
125.05986	1.2
125.09612	1.7
126.06342	1.9
135.08130	1.9
135.11685	100.0
136.03915	2.4
136.12029	2.6
138.05013	1.0
152.63658	0.9
153.05431	2.6
153.07532	5.8
153.09120	2.3
153.12733	83.0
154.04982	1.2
154.13075	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	3.0
55.01881	2.0
55.05509	12.5
56.02657	2.7
59.05001	2.7
65.03942	1.9
67.05499	21.0
69.03389	1.5
69.07059	31.1
70.95858	6.3
71.04987	100.0
71.24138	1.4
71.42620	2.0
71.95255	16.5
74.97364	1.3
77.03945	1.9
79.05486	70.3
79.05952	3.5
80.05825	2.0
81.07047	22.1
83.04985	2.5
84.51479	1.4
85.06546	4.7
86.03546	9.7
91.05482	14.0
93.07034	69.8
95.04962	11.4
95.06115	1.9
95.08586	26.3
97.06521	26.4
105.04508	4.2
105.07029	3.5
107.04965	1.6
107.06098	1.8
107.08592	3.8
108.04501	2.1
109.06547	2.5
109.10179	1.6
111.05535	2.1
111.08065	13.8
121.10136	21.0
125.07101	2.5
125.09625	2.6
126.05508	2.3
135.05420	1.7
153.05489	2.2
153.06633	4.9
153.09128	2.3
153.10158	3.4
153.12721	15.9
154.04997	3.2
156.82199	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03940	2.9
55.01871	1.4
55.05502	10.8
56.02646	1.8
59.05004	1.9
63.84735	1.0
65.03933	1.2
67.02979	1.1
67.05501	22.8
69.03419	1.8
69.07063	23.6
70.95848	2.1
71.04989	100.0
71.95258	8.7
72.80269	1.0
73.06541	2.9
76.33177	1.0
77.03915	2.4
79.05489	74.8
80.05830	1.0
81.03385	1.2
81.07053	21.2
83.04987	1.6
85.06560	5.2
87.08111	1.0
91.05470	12.1
93.07040	76.2
94.07384	1.3
95.04973	10.5
95.08599	26.6
97.06531	24.9
103.14532	1.1
105.04513	4.6
105.07009	3.2
107.08589	3.5
108.04510	1.6
111.08091	8.0
121.10136	19.3
125.52725	1.0
128.32416	1.0
130.96272	1.4
135.08066	1.8
136.03983	1.1
138.07851	1.0
153.06578	2.9
153.09166	2.0
153.10255	2.7
153.12733	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	154.0624
Annotation	N-Dimethyl-2-aminoethylphosphonate
Peak:m/z	Relative Intensity
55.01871	0.7
55.05520	1.8
56.93784	0.4
65.03941	38.9
66.04263	0.7
67.05519	0.6
68.02641	1.0
71.01369	1.4
71.42896	0.3
71.95270	1.0
72.93808	0.4
76.71834	0.4
79.01859	0.5
81.03426	3.9
83.04980	2.3
93.03404	32.3
94.03704	0.3
94.07410	0.4
95.04958	0.6
96.02102	4.9
98.98490	0.4
107.01328	2.5
109.02174	0.7
109.02879	7.6
111.04440	32.4
116.19910	0.3
121.02891	0.4
121.03972	1.2
124.05217	6.1
125.05973	0.6
127.03935	0.5
130.96300	0.5
132.46686	0.4
135.04395	0.4
139.03897	100.0
140.04208	1.9
148.97304	0.6
154.06241	73.2
155.06569	1.9
168.66478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0468
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
55.01858	0.2
55.05505	0.6
55.93501	0.2
58.06590	0.1
67.05492	0.7
69.03415	0.3
70.95861	1.3
71.04975	0.2
71.42268	0.1
72.93781	1.9
78.99509	0.7
79.05477	0.2
81.07037	0.4
83.04971	0.9
85.06532	0.2
88.96900	0.4
90.94822	0.4
95.04964	1.5
95.06050	0.1
95.08620	0.6
97.02894	0.2
97.06525	0.2
98.98469	1.0
99.04458	0.4
105.04477	0.1
106.48145	0.1
108.86983	0.1
109.06507	0.2
109.10139	0.3
110.09673	0.1
111.04431	0.6
111.98460	0.5
113.00011	5.6
113.06013	0.8
113.96403	0.6
118.03117	0.1
123.04394	0.5
125.02386	0.6
127.01556	100.0
127.07527	0.5
128.01901	0.6
129.99454	0.3
131.55080	0.1
131.96161	0.2
131.97432	0.3
132.95825	1.6
137.05977	0.1
137.06953	0.2
137.07956	0.7
137.09612	0.3
140.04659	1.4
149.97212	0.3
150.96866	3.0
155.04585	0.3
155.07030	1.8
155.09019	0.2
168.97894	0.1
173.14322	0.1
173.98485	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	155.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05512	5.6
55.93508	0.4
56.02652	1.4
56.96556	0.8
57.03456	0.3
57.07077	1.1
59.04999	0.8
65.03950	0.9
67.05505	28.1
69.07073	1.7
69.55125	1.7
70.32156	0.4
70.95866	1.8
71.04993	100.0
71.78558	0.4
72.05324	1.4
72.93803	2.4
72.94130	0.4
73.06551	0.5
79.05492	3.5
81.07056	21.0
82.07350	0.5
83.04980	1.0
83.08633	1.3
85.06553	0.9
88.96902	0.6
90.94830	0.6
91.05484	0.8
93.07044	0.5
95.08623	1.4
96.66322	0.5
98.98453	2.6
109.10181	3.0
111.08102	0.7
111.98505	0.7
113.06010	0.6
113.96428	0.6
123.11720	0.9
129.99493	0.5
131.01114	0.4
132.95850	1.7
139.94261	0.4
150.96875	3.6
155.07033	1.4
155.08562	3.5
156.09296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01870	0.5
55.05508	6.0
56.02647	1.5
56.96568	2.3
57.03429	0.4
57.07072	0.9
59.05002	0.5
65.03933	0.9
65.31993	0.3
67.05502	30.8
68.05841	0.5
69.03407	0.7
69.07074	1.5
69.86407	1.2
70.72866	0.4
70.95866	2.9
71.04990	100.0
71.95270	0.5
72.05316	0.9
72.93786	3.9
73.06566	0.8
79.05486	2.9
81.07054	24.2
82.07413	0.5
83.04967	1.9
83.08624	1.4
85.06548	1.4
88.96902	0.9
90.94822	1.1
91.05485	1.0
93.07066	0.7
95.08599	1.4
98.23405	0.6
98.98467	4.9
99.04453	0.5
107.08597	0.5
109.07619	0.5
109.10156	3.9
111.04445	1.1
111.08109	0.6
111.98476	1.1
112.17318	0.4
113.06001	1.6
113.96417	1.6
113.98649	0.4
123.11685	0.8
127.07568	0.7
129.99539	0.4
131.96159	0.6
131.97429	1.1
131.99724	1.4
132.95851	3.2
137.07083	0.5
149.97253	1.1
150.00729	0.7
150.96886	6.5
155.07034	2.5
155.08345	1.3
155.97366	0.5
156.08087	0.4
170.64821	0.4
173.98634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77405	0.4
55.55993	0.5
55.93531	0.8
58.99847	0.9
60.81652	0.4
64.75038	0.5
67.05485	1.6
69.03416	0.6
70.25036	1.1
70.25360	0.6
70.95866	16.7
72.04523	1.2
72.93784	11.7
77.00901	0.5
77.69978	0.4
82.06590	0.5
82.99870	1.2
83.04956	0.7
84.04520	0.5
86.06058	0.7
86.28156	0.4
88.96893	4.6
90.94812	2.8
97.03784	2.2
100.02493	1.3
101.00871	14.7
102.00923	0.7
103.02438	1.6
107.62749	0.5
110.06052	0.7
110.14844	0.5
111.04500	0.5
111.98467	4.7
114.04018	8.2
115.02415	1.8
116.01929	1.4
118.03510	1.5
119.01913	64.4
120.02020	1.9
121.03487	0.9
125.13071	0.5
127.27448	0.5
129.02718	5.0
129.99483	2.6
132.05060	100.0
132.95831	15.4
133.01753	0.7
133.03474	19.0
133.05167	6.3
134.02966	8.0
134.04805	1.5
137.02954	23.6
138.03082	0.7
138.05511	0.7
142.03479	1.7
147.03763	32.4
148.03867	1.5
150.06113	63.4
150.96877	30.2
151.04532	7.3
151.06219	5.9
152.04037	1.6
152.05830	0.7
155.06653	1.1
155.97397	1.4
156.05045	12.5
157.04622	1.5
165.04832	11.4
168.97887	0.9
173.98459	1.2
174.06113	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91740	3.2
53.42555	3.1
55.55853	3.8
56.92678	3.1
58.99858	3.6
60.88778	2.8
61.89660	2.7
69.98230	9.1
70.06576	4.5
70.99868	2.9
71.04996	65.6
83.05038	3.6
84.04520	7.5
97.01407	8.8
101.00902	4.4
103.02445	3.8
110.07166	3.6
113.04537	7.5
113.99400	3.4
115.02430	30.1
117.04034	5.0
119.01900	16.6
124.02422	4.4
124.03713	100.0
129.04004	4.3
130.03539	3.9
131.05547	46.3
132.05107	4.4
133.03499	13.5
135.05034	4.7
142.03503	36.7
144.05116	5.7
147.05060	6.0
148.04640	4.3
149.06604	32.1
156.05077	16.2
156.06267	6.3
156.11293	4.6
160.04538	40.6
162.06187	6.9
174.06116	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	0.1
56.05028	1.0
67.64267	0.1
68.05021	0.9
70.06589	1.7
70.68560	0.2
70.99852	0.1
79.87750	0.1
81.04556	0.7
82.05321	2.4
83.06103	11.6
84.06449	0.2
91.37620	0.1
93.04524	7.6
94.04884	0.2
95.06089	7.6
96.06459	0.2
98.06095	0.2
100.02542	0.1
101.00882	1.0
108.82416	0.1
110.07160	100.0
111.05548	0.7
111.06844	0.3
111.07493	1.5
112.08727	0.3
119.01930	1.6
132.05046	0.2
137.02896	0.2
138.06639	0.2
138.96367	0.1
141.87709	0.1
150.06058	0.1
156.07677	7.3
156.97508	0.6
174.06071	0.2
174.98529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	L-Histidine
Peak:m/z	Relative Intensity
50.88622	0.1
51.37842	0.1
55.01871	0.8
55.05512	1.4
55.93515	0.3
56.05024	1.3
56.96561	1.9
58.06595	66.0
59.06930	0.5
67.05495	0.3
68.05026	0.7
69.07064	0.7
70.06586	2.4
70.55183	0.4
70.95860	3.7
72.08148	1.2
72.93785	2.9
81.04533	1.0
82.05315	2.4
82.06612	0.2
83.04983	5.6
83.06094	11.5
84.04502	0.2
85.07658	1.0
86.06061	0.5
88.96893	0.7
90.94818	0.5
93.04520	8.1
94.04881	0.2
95.06084	7.8
98.06043	0.3
100.08727	0.3
101.00869	0.8
103.02416	0.2
110.07154	100.0
110.97585	0.5
111.05547	0.7
111.06817	0.2
111.07479	1.4
111.98473	1.2
112.07581	0.3
112.08725	0.4
114.02998	0.2
115.02375	0.2
115.96407	0.2
119.01908	3.3
120.02020	0.2
128.07063	0.2
128.08107	0.2
128.98631	0.9
129.99496	0.5
132.05067	1.0
132.95822	3.9
133.03444	1.3
137.02921	0.9
138.05519	0.3
142.03473	0.9
146.99704	0.7
147.03694	0.3
149.63992	0.2
150.06087	0.6
150.95651	0.2
150.96872	6.4
151.04503	0.5
155.97420	0.5
156.05069	0.5
156.07664	6.5
156.10159	0.4
156.11296	0.4
156.13826	5.6
156.15086	0.4
157.07742	0.2
157.14445	0.2
173.98453	0.2
174.06088	0.9
174.99118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05511	2.9
55.93520	0.3
56.05032	1.2
56.96563	3.3
57.07062	0.2
58.06596	100.0
59.06936	1.0
60.55648	0.2
67.05540	0.3
68.05020	1.1
69.07068	0.6
70.06586	3.0
70.81664	0.2
70.95863	4.0
72.04543	0.2
72.08154	1.0
72.93788	2.9
81.04546	0.8
82.05315	2.7
82.06588	0.3
83.04464	0.3
83.04981	8.1
83.06098	11.6
84.08144	0.3
85.07648	1.2
86.06076	0.3
88.96893	1.4
90.94841	0.6
93.04523	8.0
95.06088	7.5
96.04507	0.2
98.06055	0.4
101.00874	0.9
110.07157	99.4
110.97565	1.0
111.05564	0.6
111.06834	0.3
111.07486	2.0
111.08174	0.3
111.98462	1.7
112.08722	0.6
114.03016	0.4
114.03990	0.2
115.02431	0.2
119.01923	2.9
128.98607	1.2
129.99536	0.8
132.05037	1.1
132.95827	4.7
133.01645	0.3
133.03419	1.6
137.02974	0.6
138.05507	0.3
139.11177	0.3
142.03496	0.8
146.99605	1.0
150.06123	0.6
150.96880	8.0
151.04532	0.6
155.97415	0.4
156.05078	0.7
156.07672	7.0
156.10179	0.5
156.11253	0.5
156.13826	9.6
157.05025	0.2
157.07854	0.3
157.09724	0.4
157.14256	0.4
160.22803	0.2
173.98537	0.2
174.06091	1.0
174.99202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.47889	0.5
55.01866	3.0
55.05525	0.5
56.96565	15.7
57.07076	0.9
57.93563	2.6
68.05022	1.0
69.03428	1.3
70.06590	32.8
70.87540	0.6
71.04994	1.2
71.95255	1.0
72.04514	0.9
72.08136	2.4
75.94611	1.3
79.05486	0.5
80.05013	0.7
81.03416	0.6
81.05803	1.1
84.04500	4.3
86.06080	1.3
87.04471	2.8
94.06564	14.9
95.07369	4.3
96.03872	0.8
96.04489	15.4
96.08144	5.6
98.06048	16.4
98.97579	100.0
99.97923	0.7
102.05503	0.6
102.09167	1.1
112.07600	9.9
112.08720	5.1
114.05525	17.5
116.07099	5.4
116.97334	11.1
116.98615	71.1
122.06020	4.6
131.99530	0.8
134.16765	0.5
134.95824	0.6
134.99651	30.2
138.05533	1.0
140.00214	1.1
140.07057	68.1
141.07419	1.4
152.96901	3.4
153.00682	4.8
158.01218	1.1
158.08116	19.2
158.09357	5.9
158.11743	1.2
158.12912	1.1
158.15401	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	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42148	0.4
60.05645	1.2
68.05025	1.2
70.06589	92.2
71.04979	2.8
71.06920	2.8
81.03416	0.5
85.07652	3.1
93.99056	0.4
95.06094	3.5
97.07652	1.3
98.06080	2.2
99.01924	1.1
99.04452	2.4
112.08723	79.7
113.07131	5.3
113.09070	1.3
115.08673	2.8
116.07085	20.2
117.07487	0.4
120.02012	0.6
127.81474	0.4
140.08147	0.6
141.06580	6.0
158.09245	100.0
159.07706	1.9
159.09534	1.3
169.26144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
56.96559	23.5
57.07063	2.0
57.93550	3.8
58.06595	17.7
59.06928	0.7
60.05645	0.7
67.05539	0.7
68.05013	1.3
69.03419	0.7
70.06586	76.6
70.58114	1.3
71.04989	14.9
71.06110	5.6
71.06919	1.9
71.95240	1.0
72.04489	0.7
72.08141	1.3
75.00025	0.9
75.94610	2.0
81.07055	1.3
84.04469	1.1
84.08138	3.0
85.06514	1.8
85.07669	1.8
88.07613	2.5
88.08741	3.7
93.95632	0.9
95.06084	1.6
96.04478	0.9
97.07626	0.9
97.99096	0.8
98.03558	0.7
98.06051	2.6
98.09667	1.0
98.97575	100.0
99.01923	1.0
99.04428	1.4
100.07603	1.0
102.09178	3.1
110.07168	1.4
112.07613	5.9
112.08718	46.1
113.07117	2.7
114.09109	0.8
115.08684	1.4
116.00083	0.6
116.07076	15.2
116.97313	14.9
116.98609	79.6
119.01885	1.4
121.01646	1.4
123.11692	2.5
130.03479	0.8
130.06540	3.3
131.01909	1.4
131.99553	0.8
134.02992	1.3
134.95830	0.8
134.99644	38.0
135.03159	1.2
140.07043	1.6
140.11783	2.2
140.98555	1.5
141.06531	2.8
149.02962	0.7
152.64995	0.6
152.96915	4.4
153.00711	4.8
158.01219	1.5
158.05988	1.9
158.09238	60.2
158.11720	21.7
158.12888	18.8
158.15392	18.7
158.99586	1.4
159.07574	1.1
159.09563	0.7
159.12152	1.0
159.15712	1.1
170.97975	0.7
177.00690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1016
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
52.27541	0.3
53.03933	0.9
54.97305	0.4
55.01865	13.3
55.05503	2.6
55.26255	0.3
56.96555	2.7
57.03430	1.1
59.93118	0.6
67.05498	6.9
69.07050	0.4
70.06589	0.7
70.98901	0.5
71.04984	1.6
72.08141	0.5
77.03893	0.6
79.05038	0.5
79.05485	7.5
81.03404	0.4
81.07048	24.0
83.08612	1.6
85.02893	1.8
87.00809	1.0
91.05453	1.8
92.04997	0.4
93.07040	1.7
95.04958	2.3
95.08597	21.4
96.08945	0.4
97.06520	100.0
98.06857	1.7
98.97576	7.9
99.08098	0.8
99.97948	0.9
100.07622	0.8
103.05456	17.1
104.05817	0.5
105.03398	0.7
105.04503	1.4
105.07030	1.5
111.08071	0.7
113.09637	0.7
115.05456	0.4
116.06198	0.7
116.98605	7.1
117.01853	0.8
117.06977	0.4
117.98971	1.3
118.06594	0.3
118.96729	1.8
119.01939	0.4
123.08055	9.2
131.04918	13.7
131.08571	2.2
132.04550	0.4
132.05557	2.4
132.08080	0.8
133.02827	1.2
134.99643	4.8
135.05510	0.4
135.99979	0.7
141.09090	7.4
141.10133	0.5
144.05687	0.4
144.09361	0.6
153.00662	0.6
154.96461	0.7
159.04420	4.6
159.06764	0.4
159.08005	1.1
159.09158	1.0
159.10329	0.4
159.11714	1.3
160.03900	1.6
160.05046	16.4
160.07607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.76031	0.4
67.05487	2.7
76.92844	1.4
78.49492	0.4
79.05475	1.0
81.07050	0.8
83.89324	0.4
84.05531	0.3
84.38823	0.3
87.74208	0.4
91.05468	6.2
93.07054	0.6
103.05473	0.8
105.07021	18.4
106.07313	0.5
115.05415	2.7
116.06226	0.8
117.06174	0.9
117.07008	18.3
118.96753	0.4
119.08571	9.0
128.06218	1.3
129.06984	12.7
130.07776	6.6
131.08556	35.1
132.08881	0.8
142.07782	1.9
143.08580	2.0
144.09329	25.6
145.09689	0.7
157.10126	4.6
159.11676	100.0
160.12042	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	159.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88165	0.8
62.16847	0.8
67.05484	2.4
67.49354	0.7
76.20875	0.8
79.05476	2.2
81.07040	1.0
84.37793	0.7
91.05473	21.6
91.65684	0.7
95.67638	0.7
103.05460	1.9
105.07021	17.0
115.05451	7.5
116.06239	5.9
117.07010	48.6
118.07280	1.0
119.08569	11.0
128.06151	1.6
129.07002	17.1
130.07803	9.4
131.04965	1.1
131.08554	55.4
132.08875	0.9
141.07027	2.6
142.07799	2.3
143.08531	2.1
144.05707	2.8
144.09352	28.9
157.10146	3.6
159.08063	24.1
159.11679	100.0
160.12022	3.2
169.07698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.12140	0.4
54.03875	0.4
61.87583	0.5
63.81289	0.4
63.97328	0.4
64.00047	0.4
65.03941	0.5
66.80172	0.4
67.05501	2.4
71.43344	0.5
76.98814	0.5
79.05479	1.5
81.07046	0.8
91.05479	5.6
100.77628	0.4
105.07026	19.7
106.07353	0.5
114.17107	0.4
115.05437	3.0
116.06238	1.1
117.07015	18.5
118.07320	0.6
119.08576	8.9
125.59943	0.5
128.06215	1.6
129.06993	12.3
130.07799	7.0
131.08560	32.2
132.08934	0.6
133.81189	0.5
135.10272	0.4
142.07755	2.0
143.08562	1.7
144.09332	24.4
145.09705	0.7
157.10100	4.6
159.11685	100.0
160.12041	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.02384	1.0
56.96558	1.4
61.42924	0.8
65.65715	1.1
67.05502	6.7
68.04975	0.8
68.87200	0.8
69.17881	0.8
69.47896	3.9
70.54903	0.8
72.82823	0.9
76.92879	4.3
79.05490	9.6
81.07069	5.1
90.09872	0.8
91.04942	1.9
91.05482	22.8
93.07038	3.1
98.97561	4.1
99.97895	1.7
105.07036	21.4
109.90668	1.0
115.05462	6.0
116.06219	2.7
116.98596	4.9
117.07017	62.6
118.07845	1.7
118.96729	2.8
119.08575	5.4
129.06985	9.2
130.07826	4.7
131.08562	84.9
131.11804	2.1
132.06569	1.3
132.08926	2.0
133.26070	0.8
134.99641	3.3
144.09343	10.6
149.16922	0.9
152.59178	0.9
154.96422	1.0
157.10147	5.4
157.11215	0.9
159.08105	6.6
159.11685	100.0
159.15773	2.1
160.12027	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.08885	0.4
58.07381	0.4
67.05487	2.5
76.92881	2.0
76.93254	0.4
79.05477	0.6
91.05465	4.6
93.07008	0.4
93.70113	0.4
103.05438	0.5
105.07022	20.6
114.06657	0.5
115.05424	2.4
116.06217	1.1
117.07009	13.7
118.07272	0.5
118.96744	0.8
119.08569	8.9
128.06224	1.2
129.06998	13.4
130.07800	6.1
131.08559	33.4
132.08920	0.9
142.07748	1.7
143.08548	1.8
144.09331	23.8
145.10065	0.8
147.27997	0.4
148.61784	0.4
157.10088	3.8
159.11681	100.0
160.12041	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03944	0.7
56.05008	0.6
65.03934	0.7
67.05489	2.1
69.12966	2.5
69.13385	1.6
75.74538	0.6
79.05496	1.2
81.07059	0.9
91.05476	20.4
92.05817	0.9
98.97595	1.4
99.97926	0.8
103.05511	1.4
105.07024	18.2
108.31802	0.5
115.05445	5.9
116.06232	5.3
116.98621	1.8
117.07011	43.0
117.99016	0.9
118.07355	1.0
119.08571	12.7
120.59714	0.7
128.06212	2.2
129.07004	18.6
130.07811	8.6
131.04939	1.1
131.08559	53.4
132.08940	1.3
134.99614	1.3
141.06993	2.7
142.07794	2.0
143.08507	2.1
144.05714	2.9
144.09340	24.4
145.06465	1.1
157.10144	4.0
159.08052	24.5
159.11682	100.0
160.08534	0.8
160.12027	2.7
169.07610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93095	0.7
67.05505	3.2
71.43067	0.7
79.05472	1.1
81.07043	1.0
84.04442	0.7
84.11000	0.6
86.44825	0.6
86.95386	0.7
91.05470	7.8
93.07020	0.8
98.97567	1.8
99.97809	0.8
105.07026	21.1
115.05441	2.6
116.06254	1.2
116.98591	1.5
117.07016	23.8
118.96737	1.8
119.08576	7.6
128.06163	1.0
129.07004	13.6
130.07790	6.6
131.08565	37.7
131.11769	0.7
132.08904	1.1
142.07751	2.1
143.08562	1.1
144.09334	25.4
145.09641	0.7
154.96461	0.9
157.10114	4.0
159.08031	2.1
159.11684	100.0
160.12025	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	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64141	0.1
56.96566	0.3
58.91357	0.2
59.12794	0.2
59.93093	0.4
60.00645	0.2
62.38274	0.2
68.05005	0.2
70.63254	0.3
77.94193	0.2
80.71781	0.2
82.01415	0.3
82.99818	2.1
91.54156	0.2
98.97571	0.3
99.97929	0.3
100.02462	2.0
100.25257	0.2
101.00871	28.9
102.00951	0.3
115.93600	0.2
116.98595	0.3
117.98934	0.2
118.03511	4.7
118.96758	1.4
119.01908	100.0
120.01978	1.5
121.02341	0.4
124.02430	3.6
136.02725	0.3
136.04533	2.5
137.02942	26.6
138.03062	0.5
138.90361	0.2
142.03487	36.5
143.03624	1.6
154.96471	0.4
160.04544	27.6
161.02963	1.9
161.04834	1.0
165.05067	0.3
178.04013	0.3
178.05585	6.3
179.03996	3.2
179.05476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29268	0.2
55.01867	0.2
56.05022	0.3
57.03418	0.3
58.02946	0.3
59.93114	0.8
61.99742	0.2
62.87924	0.2
65.03920	0.9
68.05001	0.2
70.06593	0.2
72.08137	0.4
77.94141	0.5
78.27689	0.2
79.05497	0.8
84.04473	0.2
86.06064	0.2
87.04456	0.2
90.03436	0.7
91.05482	0.3
92.04993	2.7
95.04977	0.3
95.95202	0.2
96.04453	0.2
100.97186	0.2
101.00888	0.2
103.05493	0.8
105.04512	3.1
105.07022	3.5
114.05494	0.2
114.12855	0.2
115.05445	1.0
116.04738	0.7
118.04150	0.6
118.05270	0.1
118.95927	0.2
118.96762	2.9
119.01926	0.9
131.04898	0.3
132.05571	15.2
132.06497	0.7
133.06548	1.4
134.99611	0.2
135.05527	2.1
137.02950	0.2
142.03499	0.8
154.96446	1.2
155.89067	0.2
160.05049	100.0
161.05403	2.2
161.07167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79144	0.1
69.79973	0.5
72.63206	0.1
82.01439	0.2
82.99831	1.8
95.78735	0.1
100.02467	0.6
100.68613	0.1
101.00874	26.0
102.00947	1.6
103.00633	0.3
105.75584	0.2
118.03505	0.4
119.01911	100.0
120.01991	5.7
121.01640	0.5
121.02378	0.3
125.02621	0.3
129.04712	0.2
135.16115	0.1
137.02948	27.8
138.03059	1.3
139.02658	0.2
142.03502	1.0
143.03621	2.7
144.03246	0.5
160.04564	0.2
161.02948	3.5
161.04652	1.5
162.04364	0.4
179.02391	0.3
179.04001	5.4
179.05637	0.6
180.04109	0.3
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
55.05507	0.2
56.05030	0.4
56.96552	0.6
58.96163	0.2
58.99852	0.2
60.00648	0.1
60.08152	0.2
60.65149	0.1
60.95844	0.4
66.13540	0.1
69.07046	0.2
70.06588	0.9
70.93132	0.1
70.93475	0.2
72.08146	1.4
74.06070	0.3
79.05442	0.1
81.07037	0.3
82.99817	1.2
84.04491	1.7
84.08138	2.3
85.02862	0.1
85.06504	0.2
86.06064	0.2
87.04444	0.2
91.05447	0.2
98.06033	0.2
98.09692	0.3
98.97583	0.7
99.63140	0.2
100.97200	0.2
101.00866	15.4
101.05994	0.1
101.95024	1.6
101.97220	0.2
102.00916	1.0
102.96862	0.3
103.00614	0.2
105.07033	0.4
116.07049	0.1
116.10725	1.3
116.98608	0.6
117.06986	0.2
117.11039	0.2
119.01906	100.0
119.96032	0.8
120.01985	6.5
120.97890	0.3
121.01588	0.7
121.02391	0.3
130.08600	0.5
133.01659	0.5
133.06529	0.2
133.07532	0.2
133.10156	0.2
134.99628	0.4
137.02940	42.4
137.97081	0.7
137.99847	0.2
138.03035	2.3
138.96428	0.2
138.98917	0.3
139.03438	0.2
142.03477	1.5
143.01900	0.3
143.03644	2.3
144.03223	0.5
144.06573	0.5
144.13806	0.5
151.02687	0.2
155.98193	0.3
156.97464	0.6
160.04535	0.6
160.10939	0.2
161.02948	3.7
161.04645	2.0
161.07008	0.8
161.09566	0.3
161.10782	1.0
162.04295	0.3
162.05464	0.2
162.14857	0.7
174.98526	0.9
179.02385	0.2
179.03975	5.0
179.05630	0.6
179.98941	0.2
180.04140	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01596	0.3
51.02371	0.4
53.03940	1.2
55.01867	5.9
56.47783	0.2
60.29872	0.2
65.03935	0.8
67.05509	0.3
69.87633	0.2
74.59821	0.2
77.03912	2.6
79.05487	35.2
79.49545	0.2
80.05818	0.5
81.07049	0.5
91.05476	4.2
93.11448	0.3
95.04961	8.9
103.05461	20.8
104.05781	0.5
105.04539	3.8
105.07020	100.0
106.07339	2.4
107.04955	0.7
115.05444	10.8
116.05753	0.4
117.07002	0.4
118.04114	0.5
119.06097	0.3
119.08553	2.3
131.04871	0.4
131.08582	0.3
133.06477	56.8
133.10100	1.3
134.06828	1.6
143.04922	3.7
143.08580	0.5
147.04401	0.4
161.05962	42.9
161.09570	1.6
161.13240	2.0
162.06343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04946	0.3
51.02390	0.5
53.03933	1.0
55.01871	4.5
58.99588	0.7
59.50950	0.3
66.04701	1.0
69.03426	0.4
70.60553	0.5
72.04501	0.6
73.10593	0.3
77.03917	1.4
79.05489	20.3
80.05826	0.4
81.07082	0.4
89.03922	1.1
90.04694	5.4
91.05477	3.9
92.02626	1.2
95.04964	6.6
98.97581	0.4
101.00860	0.6
101.95029	0.5
102.04659	0.5
103.05460	24.3
105.04549	2.6
105.07022	100.0
105.74554	0.3
106.07347	2.4
107.04960	1.2
114.59218	0.3
115.05448	31.3
116.05743	0.8
116.07067	0.4
117.05556	0.3
118.04153	20.0
118.06509	0.7
119.01921	1.8
119.08563	1.5
120.75613	0.4
131.04919	5.1
132.05672	1.1
133.06487	48.6
133.10069	1.7
133.36292	0.4
134.06810	1.2
134.08087	0.4
137.02963	0.8
143.04935	0.5
143.06012	7.0
143.08594	0.5
144.06512	0.6
146.03609	1.3
161.05930	9.9
161.07144	4.4
161.09505	1.6
161.10744	0.5
161.13290	1.1
162.05426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02370	0.9
51.81050	0.4
53.03937	1.4
55.01876	4.8
62.23326	0.4
69.72232	1.2
77.03934	1.2
77.65809	0.3
79.05492	19.8
80.05814	0.4
89.03916	1.2
89.87610	0.4
90.04700	4.4
91.05473	3.2
92.02628	0.8
95.04968	4.9
102.04678	0.8
103.05466	24.1
104.05795	1.0
105.03403	1.2
105.04577	2.2
105.07026	100.0
106.07389	1.9
107.04939	1.0
115.05456	27.6
116.05797	0.7
117.06972	0.5
118.04156	17.2
118.06490	0.5
119.01904	0.9
119.08604	1.8
125.46257	0.4
131.04930	4.6
132.05699	1.3
132.59773	0.4
133.06487	48.9
133.10112	1.3
134.06850	1.1
143.04968	0.8
143.06020	6.5
143.08534	0.5
146.03615	1.7
149.06000	0.5
161.05969	10.0
161.07135	1.1
161.09601	1.9
161.10773	0.7
161.13210	1.1
162.05345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02369	0.5
53.03940	1.0
55.01871	4.3
56.96553	0.4
66.04710	0.6
69.03423	0.3
69.51317	0.9
69.51711	0.5
69.64091	0.3
74.06064	0.5
76.22282	0.3
77.03901	1.7
79.05489	20.9
80.05802	0.4
84.04485	1.7
84.08148	0.4
89.03910	1.2
90.04694	5.6
91.05472	3.0
92.02612	1.0
95.04964	6.4
97.02872	0.8
98.06036	0.4
98.22748	0.6
101.00884	0.5
101.95020	0.7
102.04675	0.8
103.05462	25.9
104.05768	0.6
105.04557	2.5
105.07022	100.0
106.07351	2.5
107.04946	1.6
115.05448	30.4
118.04152	20.1
118.06511	0.5
119.01920	2.7
119.04431	0.6
119.06979	0.3
119.08554	0.7
131.04906	5.1
132.05698	1.3
133.06480	48.9
133.10127	1.3
134.05931	0.3
134.06873	1.5
137.02971	0.9
143.04973	0.6
143.06020	6.7
144.06503	0.6
145.76106	0.3
146.03584	0.5
146.07246	0.4
155.96518	0.3
156.45586	0.4
161.05957	9.0
161.07123	1.7
161.09552	2.1
161.10738	1.5
161.13261	0.7
162.05493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02380	0.6
53.03945	1.1
55.01877	5.0
58.76300	0.4
66.04728	0.8
67.82868	0.4
69.59517	0.8
69.59904	0.9
76.48730	0.4
77.03931	2.3
78.63878	0.3
79.05492	19.9
80.05797	0.5
88.20281	0.4
88.98170	0.4
89.03911	1.4
90.04700	5.5
91.05476	2.5
92.02609	1.0
94.36601	0.4
95.04967	6.0
102.04723	0.7
103.05469	24.9
104.05741	0.4
105.04560	2.1
105.07028	100.0
106.07375	2.4
107.04959	1.3
115.05453	29.8
116.05773	0.9
118.04161	21.9
131.04922	4.6
132.05684	1.3
133.06488	48.6
134.06808	1.3
143.04971	0.8
143.06035	6.3
146.03654	0.8
147.42445	0.5
161.05980	7.4
161.09496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01598	0.4
51.02374	0.4
53.03939	1.1
55.01621	0.3
55.01873	4.5
56.26631	0.2
64.40110	0.2
65.03916	0.4
66.04720	0.6
69.24295	1.4
77.03928	2.9
79.05487	20.5
80.05804	0.6
89.03893	1.3
90.04694	5.8
91.05479	3.2
92.02605	0.9
94.04159	0.3
95.04959	6.7
95.05531	0.5
102.04676	0.9
103.05463	25.6
104.05776	0.5
105.03395	0.8
105.04562	2.3
105.07022	100.0
106.07349	2.6
107.04941	1.1
115.05448	29.8
116.05752	0.6
118.04153	20.8
119.04443	0.3
119.08582	1.0
131.02055	0.2
131.04918	5.1
132.05704	1.8
133.06480	48.8
133.10103	0.7
134.06812	1.0
143.04984	0.5
143.06036	6.9
144.06351	0.3
146.03598	1.2
149.06004	0.4
161.05966	9.7
161.07092	0.6
161.09535	1.4
161.13255	0.7
162.05356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02385	0.4
53.03942	1.1
55.01648	0.5
55.01873	5.2
61.87716	0.4
65.03965	0.5
66.04729	1.2
67.37822	0.4
68.20631	0.5
69.50772	0.9
69.51158	1.0
77.03931	2.7
79.05492	20.7
86.33038	0.5
89.03915	1.4
90.04701	5.8
91.05484	2.7
92.02614	1.2
95.04971	6.1
102.04695	1.0
103.05470	26.6
104.05788	0.7
105.04555	3.7
105.07029	100.0
106.07374	1.7
107.04961	1.4
115.05456	29.2
118.04160	19.6
119.04477	0.6
131.04916	5.1
132.05743	0.9
133.06488	51.5
133.10080	0.8
134.06857	1.2
143.04974	1.0
143.06026	6.6
146.03641	1.3
161.05972	11.5
161.07292	0.6
162.06485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0913
Annotation	Boschniakine
Peak:m/z	Relative Intensity
58.65355	0.2
60.04514	0.2
65.03947	0.2
69.61725	0.7
73.71284	0.2
74.71999	0.2
79.05492	0.4
84.91185	0.2
91.05476	1.8
95.04940	0.3
103.05438	0.3
104.56683	0.2
105.03383	0.3
105.07030	3.8
106.06518	0.2
107.04884	0.2
109.06499	0.2
113.26749	0.2
115.49082	0.2
117.05746	1.0
118.06537	4.8
118.38774	0.2
119.04926	1.2
119.07332	1.2
119.08589	0.2
130.02887	0.3
130.06519	1.5
131.07298	26.6
132.08084	21.9
133.08412	0.5
134.08136	0.2
141.84663	0.2
146.06000	4.9
147.06752	0.9
162.09126	100.0
163.03844	0.5
163.09488	3.0
163.10963	0.4
163.12369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.05510	2.3
60.05655	0.9
64.80869	0.2
66.30858	0.1
67.38910	0.1
68.05022	0.2
70.06589	100.0
71.04990	1.8
71.06920	1.3
71.15834	0.2
85.06538	9.0
86.09702	0.3
88.07618	0.3
95.06115	0.2
98.20356	0.1
104.10765	0.2
112.08722	10.0
120.01985	0.2
125.00810	0.1
130.09758	4.3
144.11308	2.1
144.13792	0.3
162.12363	0.4
162.14917	0.5
176.77589	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	162.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.05506	2.1
56.96551	0.9
57.03430	0.9
59.04997	0.6
60.05635	1.0
60.08157	1.6
60.83541	0.2
61.02922	0.3
67.05490	0.3
68.05015	0.2
69.03407	0.3
70.06585	100.0
71.04986	1.9
71.06917	0.9
74.06080	0.4
74.07198	0.2
75.04466	0.9
77.03915	0.2
84.04492	0.4
84.08117	0.3
85.02906	0.5
85.06534	9.2
88.07624	0.4
97.02872	0.2
98.05995	0.2
98.97576	0.3
101.00906	0.3
102.00978	0.8
102.05560	0.2
102.09174	0.2
103.00641	0.6
103.07561	0.5
112.08717	9.3
113.09068	0.2
117.05804	0.3
119.01910	0.5
120.01984	3.2
120.06581	0.2
120.97881	0.3
121.01646	1.8
121.02422	0.2
124.83060	0.2
130.06519	0.4
130.09749	3.9
132.08093	0.7
134.43246	0.2
138.03012	1.0
139.02675	0.5
144.03242	0.6
144.11308	2.7
144.13809	1.7
161.99541	0.2
162.03072	0.3
162.04298	0.4
162.12553	0.3
162.14879	7.7
163.03906	0.4
163.12297	0.4
168.99240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25988	0.5
53.03946	0.8
54.07941	0.6
55.05504	2.2
56.05042	0.6
57.03431	1.1
57.04552	1.6
57.07082	2.8
58.06588	1.1
59.04996	2.1
60.05642	0.8
60.08160	16.0
61.02926	3.0
67.05493	5.8
69.03437	1.3
70.06587	100.0
70.19944	1.4
71.04993	6.8
71.06936	1.3
71.07330	0.7
73.02911	1.1
73.04780	0.5
74.06087	1.1
74.07196	1.3
79.05482	1.4
84.04494	1.8
85.02913	3.5
85.04833	0.7
85.06539	24.8
86.09695	4.2
88.07620	3.9
95.04954	2.3
96.04472	1.6
97.02896	1.6
98.06050	1.0
102.00991	2.2
103.00656	1.5
104.10722	1.5
105.03355	0.8
105.04507	0.9
112.08716	8.4
116.07088	0.6
118.79893	0.6
119.01904	3.7
120.02000	16.3
121.01666	8.3
121.02488	1.0
126.10234	0.5
128.28419	0.5
130.09764	4.2
133.02866	3.2
134.08104	1.0
135.04411	3.8
137.02948	1.7
138.03038	7.2
139.02670	3.3
141.57135	0.5
143.48692	0.7
144.03246	2.7
144.06560	1.0
144.11333	14.1
144.13829	45.9
145.04738	0.6
156.97499	2.4
162.04236	2.6
162.05478	1.0
162.08995	0.7
162.11217	1.3
162.12402	2.2
162.14885	52.3
163.03888	11.4
163.05055	0.5
163.08694	0.6
163.15224	1.0
174.98537	2.0
179.98985	0.6
180.04039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	2.0
66.22675	0.6
69.94500	1.4
69.94843	0.8
77.03935	2.0
79.05488	11.4
83.15949	0.6
89.03913	77.4
90.04268	1.5
91.38980	0.6
95.04967	4.3
98.22807	0.8
101.21032	0.6
105.04520	2.0
105.42084	0.6
107.04951	15.7
117.03373	64.1
118.03669	0.9
135.04408	100.0
136.04761	3.0
139.46333	0.6
145.02844	40.1
145.03862	2.0
146.03189	0.9
163.03891	66.9
164.04170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00295	0.4
53.03946	0.8
55.01855	0.5
61.28012	0.3
63.02356	2.5
65.60047	0.4
77.03914	2.5
79.05493	11.5
89.03917	77.7
90.04256	1.7
91.05477	1.6
93.07001	0.4
95.04964	4.2
98.14873	0.4
98.22683	1.3
103.05476	2.4
105.04526	1.6
107.04954	17.8
107.05685	0.9
107.08630	0.7
115.05462	0.8
117.03378	64.1
117.07030	1.1
118.03719	1.4
131.04071	0.3
131.04924	2.3
135.04413	100.0
136.04758	2.5
145.02850	45.9
145.03876	2.0
146.03212	1.0
153.05490	3.0
163.03900	78.1
163.07545	9.6
164.04231	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	163.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
63.02387	1.8
71.40564	0.6
77.03932	2.0
79.05486	9.4
85.02900	0.8
89.03916	71.3
89.49450	0.5
90.04253	1.5
91.05464	0.6
95.04959	4.2
102.51986	0.5
102.93925	0.5
103.05462	4.2
105.03401	0.5
105.04501	1.8
106.06552	0.6
107.04958	12.6
107.08614	0.6
117.03376	59.1
118.03708	1.4
131.04921	4.9
132.08083	1.9
135.04411	100.0
136.04745	3.0
145.02849	42.4
146.03192	0.8
148.05252	0.5
163.03897	75.2
163.07527	3.4
163.11115	0.6
163.12354	1.1
164.04245	1.7
170.77019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03935	1.0
55.50698	0.6
57.53119	0.7
63.02378	2.0
67.24979	0.6
68.72104	0.7
69.72345	1.8
75.04626	0.7
77.03926	1.9
79.05488	9.6
89.03912	74.8
90.04263	2.4
94.57652	0.6
94.70030	0.8
95.04971	3.3
105.04521	2.0
107.04942	15.9
107.75160	0.6
117.03371	64.3
118.03712	1.6
127.00961	0.6
135.04404	100.0
136.04710	2.4
145.02841	42.1
153.26898	0.6
163.03891	74.8
164.04253	1.7
169.87286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02374	0.3
53.00296	0.4
53.03936	0.6
63.02370	1.9
69.75188	0.9
72.00716	0.3
77.03908	1.8
79.05489	10.6
89.03912	71.7
90.04240	1.7
91.05477	0.6
93.07114	0.3
94.93251	0.4
95.04967	4.2
97.31970	0.3
103.05476	1.2
105.04551	1.7
107.04945	13.9
107.08601	0.5
113.77097	0.3
117.03372	58.5
118.03723	1.7
118.83444	0.4
131.04875	2.0
131.09531	0.4
135.04407	100.0
136.04742	2.8
145.02841	44.3
145.03851	2.0
146.03159	1.1
153.05434	0.6
158.06003	0.5
163.03891	76.2
163.07503	2.7
163.11179	1.0
164.04218	2.2
182.85225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.6
55.01863	7.4
57.03427	13.2
61.02930	19.6
65.03937	4.2
67.05517	3.9
69.03421	35.3
69.15726	24.1
73.02895	4.7
76.25602	3.3
77.03925	10.5
79.05495	51.4
81.03415	13.4
81.07060	7.0
85.02898	100.0
87.04446	4.4
89.03908	40.0
91.03965	5.2
91.05486	13.4
93.07030	15.3
95.04957	24.4
95.08620	4.8
97.02887	13.9
97.36584	3.8
103.05456	57.8
105.03394	18.0
105.04528	6.3
105.07037	10.3
106.06544	6.9
107.04964	40.3
107.07352	6.9
107.08581	14.4
109.02882	9.0
115.16933	3.8
117.03358	29.4
117.07030	10.8
119.04942	3.8
121.06497	12.3
121.10130	6.4
122.09637	21.7
127.03912	6.8
130.06546	18.1
131.04918	62.1
132.05417	3.9
132.08113	17.9
133.02823	10.3
135.03481	5.2
135.04425	81.1
135.08041	13.0
145.02826	21.4
145.03810	3.6
148.05205	14.9
163.03899	94.0
163.05098	4.7
163.07521	58.1
163.11160	28.9
163.12343	12.4
164.10561	3.7
165.98157	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	163.0753
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03943	0.7
53.68004	0.2
55.01866	0.8
55.05502	1.7
57.03429	0.2
57.07071	4.1
59.97890	0.2
65.03929	0.6
67.05499	0.5
68.99797	0.5
69.03421	0.9
69.07047	0.3
69.61617	0.9
77.03912	1.7
79.05486	5.1
80.04988	0.5
81.07055	0.6
83.08624	0.3
84.08134	0.4
85.02890	0.8
88.82081	0.3
89.03913	0.8
89.06023	2.7
91.05473	4.5
93.07030	2.2
94.06572	0.4
95.04962	11.4
95.07978	0.2
95.08556	1.2
98.22703	0.3
101.09641	0.3
103.05450	4.1
105.03403	1.8
105.04494	1.4
105.07024	1.6
106.06544	1.2
107.04945	100.0
107.08585	2.7
108.05249	1.8
108.08091	0.5
109.06480	0.3
115.05447	3.3
117.03377	0.6
117.05811	1.1
117.07008	8.4
119.04935	0.6
119.08585	0.8
119.82880	0.2
120.05721	0.3
120.08092	0.6
121.02866	4.4
121.06483	0.8
121.10137	1.0
122.06049	0.3
123.04401	0.5
126.05503	0.4
127.05451	0.3
130.06531	2.8
131.04924	4.1
132.08080	3.6
133.02869	1.8
133.06445	0.5
135.04453	3.1
135.08041	49.1
136.07553	11.9
136.08379	0.8
140.07053	0.4
145.02805	0.5
145.06471	9.2
145.10110	1.0
148.05157	0.7
149.71381	0.3
155.06012	1.5
163.03880	6.6
163.07524	33.3
163.11143	2.9
163.12318	2.3
163.14709	0.5
164.06834	1.4
164.11731	0.4
181.02895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02362	0.5
53.03943	0.8
55.01863	1.0
63.46251	0.5
67.05502	0.5
68.99779	1.2
69.03432	0.8
69.21086	1.6
69.21487	0.8
77.03921	1.2
79.05482	4.9
81.07045	0.6
85.02872	0.6
89.03915	5.5
91.05479	2.8
93.07012	2.3
95.04964	19.5
95.08595	1.1
96.05293	0.5
98.23475	0.9
103.05467	7.3
105.03387	3.0
105.04497	2.3
105.07018	1.4
106.06565	2.5
107.04946	100.0
107.08588	4.2
108.05277	1.9
115.05435	3.0
117.03378	4.7
117.05730	1.9
117.06996	6.9
119.04895	0.6
119.08602	0.8
120.08108	1.3
121.06496	0.9
121.10133	1.3
123.04430	0.6
130.06531	4.4
131.04936	8.5
132.08080	5.3
133.02806	1.9
135.04417	10.8
135.08041	93.5
136.07477	0.7
136.08400	2.2
145.02832	3.7
145.06471	6.7
145.08368	0.6
145.10103	0.9
148.04991	1.4
155.06052	1.2
163.03893	17.0
163.07529	58.0
163.11168	3.3
163.12273	4.0
163.14754	0.6
164.07881	1.5
171.85260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02389	0.5
53.03937	0.8
53.73632	0.3
55.01874	0.9
57.06083	0.4
65.03950	0.5
67.05503	0.6
68.99780	0.9
69.03418	0.7
69.07056	0.5
77.03925	1.0
79.05486	4.9
81.03417	0.4
81.07033	0.6
84.08140	0.7
85.02914	2.2
89.03905	4.3
91.05482	5.1
93.07018	2.4
95.04966	17.1
95.08606	1.3
96.05273	0.4
102.81079	0.4
103.04833	0.6
103.05466	4.8
105.03396	1.9
105.04512	2.3
105.07000	2.2
106.06542	1.6
107.04951	100.0
107.08585	4.9
108.05293	1.9
115.05434	3.2
117.03369	3.8
117.05733	0.9
117.07014	7.7
118.06497	0.5
119.06061	0.4
119.08572	1.9
120.08076	0.5
121.06464	1.5
121.10138	2.3
123.04396	0.7
127.05481	0.4
130.06516	2.3
131.04950	6.0
132.08061	2.6
133.02864	1.9
135.04428	9.3
135.08047	92.3
135.11656	1.1
136.08369	2.3
136.77435	0.4
145.02849	3.1
145.06487	7.4
145.07579	0.7
145.10115	1.3
147.04425	0.5
155.06004	1.5
163.03905	13.6
163.07536	53.3
163.11151	3.0
163.12338	2.4
163.14861	1.2
164.07870	1.3
181.02823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.54159	0.3
53.03942	0.4
55.01856	0.8
55.28332	0.3
68.99785	0.9
69.66515	0.3
70.45333	0.7
71.84655	0.4
77.03936	1.1
79.05496	3.6
89.03924	5.2
91.05457	2.4
93.07042	0.8
95.04966	15.9
95.08601	0.8
103.05442	2.0
105.04482	0.8
105.07023	1.0
107.04951	100.0
107.08578	2.1
108.05284	1.4
115.05458	3.3
117.03361	4.5
117.07014	7.9
121.06546	0.4
123.04417	0.9
126.04623	0.3
130.06508	0.6
131.04887	2.0
132.08066	0.6
135.04427	9.2
135.08046	95.4
136.08353	2.3
145.02838	4.3
145.06483	8.9
148.05200	0.7
155.06046	1.3
163.03908	8.5
163.07530	53.4
164.07890	1.1
164.14708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03945	1.2
55.01849	0.5
68.99777	0.8
70.45999	0.8
77.03912	1.7
79.05482	4.1
81.03410	0.4
81.07077	0.4
84.08161	0.5
89.03914	0.9
91.05474	2.4
92.02625	0.5
93.07048	1.1
95.04963	21.0
95.08607	1.0
103.05479	2.4
105.03397	2.3
105.04469	1.9
105.07014	1.1
106.06543	1.9
107.04949	100.0
107.08593	3.6
108.05262	2.2
109.06540	0.4
115.05463	2.6
117.03407	0.5
117.05773	0.8
117.07018	4.6
119.04918	1.9
119.06008	0.4
120.08083	1.1
121.06448	0.6
121.10106	0.7
123.04373	0.9
130.06531	3.7
131.04922	1.7
132.08087	4.6
133.02850	3.9
134.63484	0.4
135.04440	5.3
135.08046	91.8
136.08348	2.4
145.02786	0.4
145.06491	5.8
145.10023	0.4
148.05159	1.3
155.06023	1.0
163.03899	16.7
163.07533	53.0
163.11142	1.5
163.12303	2.8
163.14777	0.5
164.07950	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	163.0754
Annotation	(+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol
Peak:m/z	Relative Intensity
53.03934	1.4
55.01868	2.3
56.15289	0.3
63.02369	0.3
65.03949	0.4
67.01854	0.5
67.05495	0.9
69.03416	1.2
69.75780	0.7
77.03916	2.5
79.05490	15.3
81.03407	0.5
86.07671	0.3
89.03908	3.2
90.65607	0.3
91.04946	0.5
91.05479	7.1
93.07027	1.4
95.04963	5.1
97.02883	0.8
98.23463	0.3
103.05467	8.5
105.03423	0.8
105.04510	1.6
105.06997	1.6
107.04948	22.4
107.08572	3.2
109.06511	0.8
111.21167	0.3
115.05459	6.8
116.06184	0.4
117.03352	3.6
117.07016	10.6
119.06042	0.7
121.06510	5.0
123.04416	2.6
130.06519	0.5
131.04916	11.0
132.08041	0.4
135.04407	30.6
135.08017	3.5
136.04785	0.8
145.02838	2.8
145.06485	3.9
148.05208	0.5
153.05460	31.3
154.05786	0.9
155.05925	0.4
163.03917	5.7
163.07529	100.0
164.07857	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	163.0754
Annotation	Cleviolide
Peak:m/z	Relative Intensity
50.28628	0.7
51.02371	0.9
51.53604	0.6
53.00308	1.1
53.03942	2.6
55.01867	3.4
56.34180	0.6
57.03430	2.0
57.04599	0.6
60.72587	0.6
61.64467	0.7
65.03936	1.4
65.84269	0.8
69.03425	0.8
69.04733	0.7
69.41389	3.8
72.26393	0.7
75.57992	0.6
77.03924	5.3
79.05494	30.0
81.03445	1.2
85.02893	1.2
89.03934	2.6
91.05482	19.6
91.79001	0.8
92.06277	3.9
93.07037	1.6
94.04175	0.8
95.04973	14.0
98.22729	1.3
102.04670	1.8
103.05465	100.0
104.05768	1.6
105.03410	1.7
105.04521	4.8
105.07027	59.4
106.07362	1.3
107.04955	41.7
107.08609	2.2
109.06548	1.0
115.05458	12.9
116.29533	0.7
117.03373	1.3
117.07028	3.2
119.04929	2.1
120.05714	15.0
121.02869	1.1
121.06513	6.4
130.06540	1.4
131.04933	14.0
132.05698	2.0
132.08058	1.5
133.06479	1.8
135.04456	4.5
135.08049	62.6
136.08412	1.5
145.02826	1.3
145.06464	2.3
145.07578	1.6
148.05193	5.4
163.03906	5.1
163.07533	48.2
163.11134	1.5
163.12282	1.0
177.56270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Cleviolide
Peak:m/z	Relative Intensity
51.02374	1.1
53.03934	3.0
55.01867	4.5
55.05520	1.4
57.03425	2.0
59.64415	1.0
62.08934	0.9
63.02375	1.2
63.22164	0.9
65.03922	1.6
67.05491	1.3
68.66102	0.9
68.99783	1.3
69.03437	1.1
69.07058	1.4
77.03935	4.9
79.05491	37.0
79.05949	2.1
80.05022	1.3
81.03425	1.2
81.07056	2.3
84.08136	2.0
85.02888	1.8
88.35153	0.9
89.03917	30.7
91.05478	21.5
92.02622	1.9
92.06258	3.7
93.07050	5.2
95.04417	1.5
95.04968	18.5
95.08598	2.1
103.05468	100.0
104.05771	1.3
105.03391	7.6
105.04491	6.6
105.07028	48.5
106.06553	5.7
106.07358	1.2
107.04955	54.0
107.07327	3.8
107.08582	8.5
107.37032	1.0
108.05266	1.2
115.05452	10.4
117.03382	22.3
117.05744	4.4
117.07011	3.8
119.04931	1.8
119.08482	1.0
119.44860	0.9
120.05742	12.5
120.08073	2.4
121.02832	1.1
121.06531	8.3
121.10128	3.2
122.09666	18.0
130.06531	9.9
130.07518	1.5
131.04926	26.7
132.05724	2.4
132.08075	11.9
133.02844	5.2
133.06482	2.2
135.04414	46.9
135.08052	60.0
135.11728	2.5
136.04700	1.4
136.08376	2.5
145.02859	12.8
145.03903	2.1
145.06485	3.7
145.07574	1.0
145.10139	3.3
148.05196	7.6
163.03897	47.4
163.07529	53.7
163.08662	2.8
163.11137	8.1
163.12317	8.7
164.04280	1.4
164.06895	1.4
164.08105	1.1
164.10661	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	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02375	0.5
53.03947	0.5
53.41835	0.3
55.01872	0.3
67.05512	0.3
69.58816	1.4
77.03938	1.4
79.05495	2.2
89.03921	9.3
91.05490	1.4
93.07044	0.6
94.96307	0.3
95.04960	3.6
98.22743	0.6
103.05469	97.3
104.05779	2.0
105.03410	1.2
105.04530	1.1
105.07040	0.6
106.06551	0.5
107.04955	5.7
107.08589	0.7
117.03382	6.4
117.05868	0.3
117.07004	0.7
119.04943	0.9
121.06491	0.6
121.10140	0.8
130.06557	1.0
131.04927	100.0
132.05252	2.5
132.08075	1.4
133.02834	2.0
135.04413	15.7
135.07991	0.6
141.25238	0.3
145.02863	6.0
145.06450	0.5
145.08447	0.4
145.10110	0.5
148.05180	1.0
163.03902	19.0
163.07538	19.3
163.11098	0.7
163.12306	1.5
163.14915	0.8
164.04250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
53.03937	2.2
55.01872	2.4
61.02916	1.9
63.02385	1.4
65.03941	1.2
68.33223	1.1
69.03423	2.9
69.79073	3.8
77.03920	3.6
79.05483	17.5
80.05033	1.2
85.02879	3.5
89.03912	33.4
91.05470	28.1
93.07018	2.8
94.06540	1.4
95.04955	7.9
103.05463	20.4
105.03398	6.9
105.04490	5.0
105.07032	12.0
106.06553	2.5
107.04948	19.2
107.08582	30.8
108.04499	1.7
109.06516	3.6
112.04607	1.0
115.05446	30.2
117.03373	28.1
117.05700	2.5
117.07010	80.4
118.06575	1.2
118.07335	2.1
119.04918	1.4
119.06049	4.1
120.08080	1.1
121.06478	1.6
127.05427	1.4
130.06573	5.2
131.04919	18.7
132.08060	5.6
133.02858	9.6
133.06467	7.7
134.07283	2.3
135.04410	61.5
135.08041	67.3
136.04793	1.6
136.08438	1.7
145.02846	23.8
145.06477	30.7
155.06032	7.9
163.03894	75.2
163.07524	100.0
163.08638	3.6
163.11147	2.6
163.12271	5.8
164.04271	1.8
164.06891	1.8
164.08064	2.0
181.02831	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	163.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.1
55.05500	6.6
57.03432	25.7
57.07056	2.4
57.70941	2.1
59.04985	7.2
61.02924	7.7
67.05482	2.7
69.03427	10.8
69.07073	2.6
70.67728	5.0
71.04990	14.3
71.08631	19.0
73.94902	2.1
77.03922	4.3
79.05489	30.4
80.04984	2.3
81.03455	2.8
81.07053	100.0
83.04950	4.0
85.02905	22.9
85.06525	7.8
89.03899	6.1
91.05484	4.4
93.07061	2.5
95.04961	10.3
97.02892	4.8
99.08092	38.9
103.05465	27.3
105.03381	7.1
105.04498	4.7
105.07043	2.3
106.06559	6.9
107.04922	13.9
107.08601	7.5
109.06511	63.2
109.07224	4.4
117.03381	5.5
117.05750	5.7
117.09126	32.9
120.08074	2.6
121.00834	3.2
121.06487	2.6
121.10165	5.0
123.04521	2.1
127.07545	23.6
128.20863	2.2
130.06512	18.0
131.04919	33.6
132.08049	19.8
133.02843	15.7
133.72264	2.8
135.04405	25.2
135.08070	9.9
139.01855	4.8
145.02893	3.4
145.06499	2.9
163.03891	56.0
163.05110	4.6
163.07530	23.6
163.08701	3.5
163.11121	4.0
163.12303	17.9
163.14856	3.0
164.04271	3.0
164.07104	2.6
164.14374	2.4
181.02890	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02372	0.3
51.04844	0.3
53.03935	0.4
53.05313	0.3
55.01861	0.8
55.05495	0.4
55.53717	0.3
67.05489	0.6
69.03423	1.3
69.07045	1.6
69.21172	1.9
71.12466	0.3
75.22532	0.3
77.03921	0.7
79.05484	6.6
81.07043	1.0
83.04970	0.4
89.03893	0.7
91.05468	3.6
93.07037	4.1
95.04971	2.8
103.05442	2.7
105.03401	0.8
105.04488	0.5
105.07025	2.9
106.06544	0.6
107.04947	25.6
107.08571	3.5
108.05225	0.5
115.05444	1.3
117.03359	0.5
117.05740	0.5
117.07007	5.5
119.08558	0.9
121.02869	1.3
121.06490	1.9
121.10147	1.2
127.05437	0.4
130.06502	1.4
130.07759	1.1
131.04897	2.7
132.08090	1.4
133.02821	0.5
133.06461	2.7
135.04414	2.6
135.08041	6.7
135.11676	1.2
137.44540	0.3
145.02815	0.3
145.06479	2.6
145.10104	5.8
147.08015	2.9
148.08823	13.7
149.09155	0.4
153.05507	1.5
158.06351	0.3
160.98648	0.3
163.03934	3.0
163.07549	9.8
163.11162	100.0
164.11539	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77342	0.5
68.77467	0.4
71.30237	0.5
75.31258	0.4
81.35432	0.4
82.01444	0.6
82.34977	0.4
82.99835	4.4
91.29782	0.4
100.02474	1.4
101.00874	51.4
102.00958	1.2
118.03549	0.5
119.01914	100.0
120.01976	3.2
124.02427	6.1
137.01895	0.9
137.02950	17.8
138.03049	0.7
142.03491	55.7
143.03633	1.8
152.70375	0.5
160.04549	13.1
165.05035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19554	0.4
69.93817	0.6
71.85554	0.4
74.99379	0.4
80.94930	0.4
82.01390	0.5
82.99836	3.8
88.53545	0.4
98.06850	0.3
98.23456	0.4
100.02480	0.9
101.00871	40.9
102.00941	1.1
119.01907	100.0
119.51308	0.4
120.01995	2.6
123.04432	0.5
124.02426	5.5
137.02945	22.7
138.03033	0.9
142.03485	63.7
143.02554	0.3
143.03575	1.9
160.04539	14.5
165.05034	0.7
166.07213	0.9
167.05605	0.5
181.34372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.3
56.96549	0.2
58.06601	0.5
62.98257	0.4
65.92620	0.2
69.03418	0.5
69.33703	1.1
69.34111	0.5
74.02420	0.3
76.00717	0.2
80.94939	0.3
82.99825	1.7
83.18259	0.2
91.05458	0.3
95.04943	0.7
98.23450	0.5
100.02473	0.9
101.00871	22.8
102.00980	0.8
102.05531	0.3
110.05998	0.2
118.03470	0.3
119.01911	100.0
120.01969	3.0
120.08069	0.5
121.02345	0.4
123.04426	1.2
124.02444	3.9
135.94165	0.2
136.31119	0.2
137.02948	29.9
138.03085	1.0
142.03490	58.6
143.03607	2.1
160.04547	18.5
161.04695	0.5
164.93018	0.4
165.05093	1.2
165.06459	0.5
165.11354	0.7
166.05096	0.3
166.07080	0.4
166.08408	4.8
166.09789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
53.28654	0.4
55.01860	3.1
65.03931	2.8
67.05502	0.7
69.39842	1.3
69.40247	1.0
69.99608	0.4
71.04980	0.5
77.05794	0.4
79.05504	1.5
81.03406	0.5
81.07047	2.2
81.70398	0.4
85.02898	2.4
91.05476	55.8
92.05807	1.5
93.07019	0.7
95.04987	1.7
95.08604	0.9
98.23380	0.8
101.00883	4.8
102.87488	0.4
103.05449	1.7
105.03378	1.1
105.07044	0.9
109.06506	2.0
113.84119	0.4
119.01920	18.4
119.04936	53.3
119.08594	1.9
120.01991	0.7
120.05276	1.2
120.08109	1.3
123.04422	20.3
123.08103	0.9
124.02438	0.7
129.03352	0.9
137.02974	5.1
137.05965	7.2
137.09619	0.7
138.05458	0.6
142.03496	9.8
147.04399	100.0
148.04765	2.9
160.04550	2.6
165.05466	98.0
166.05878	2.9
166.08635	0.6
180.24953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.02364	0.3
53.03941	0.7
55.01864	0.5
55.05507	10.6
56.05833	0.3
65.03924	0.6
65.56019	0.2
67.05492	1.5
70.70854	0.3
77.03909	1.0
81.03422	0.2
91.05473	4.0
95.04969	3.8
101.00855	0.5
105.03391	1.1
105.04480	0.4
109.02880	0.4
109.06502	0.3
111.04469	0.9
117.06979	0.4
119.01900	0.9
119.04939	0.6
119.08582	1.7
123.04417	100.0
124.04749	2.0
137.02951	0.2
137.05954	5.0
137.09572	0.3
142.03485	0.5
146.72591	0.2
147.08057	1.9
157.46619	0.2
165.09100	10.5
165.12802	0.3
166.09436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
55.01862	0.8
58.80809	0.7
68.89525	0.6
70.84269	0.6
71.43013	0.6
72.91886	0.6
77.03928	1.8
78.56478	0.6
79.05494	17.4
91.05482	2.2
94.07825	1.1
95.04970	3.5
101.00891	2.0
103.05476	9.9
104.06281	1.5
105.04584	1.7
105.07027	100.0
106.07373	2.3
107.04965	2.5
109.06520	3.3
119.01905	6.2
119.08609	1.1
122.07284	3.0
131.04942	1.5
133.06488	36.6
135.04361	1.1
137.02995	1.6
137.05989	1.2
137.09624	1.6
142.03531	4.0
149.05959	1.6
149.54993	0.6
150.06757	25.8
160.04657	0.8
165.09113	54.7
166.09430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20454	0.4
54.03471	13.1
55.01872	0.3
65.00330	0.4
67.01866	8.0
67.55465	0.3
68.01380	1.6
68.02201	0.4
68.99790	100.0
70.00130	0.4
70.02956	7.9
71.01360	0.7
76.33070	0.3
80.01384	0.6
82.02933	1.8
82.06596	0.3
83.03719	1.5
86.87976	0.4
87.00814	0.6
88.01334	0.3
92.01368	3.6
92.99758	3.4
98.02413	2.3
110.02403	18.5
111.00803	8.1
111.03235	1.8
119.01900	0.7
120.01993	1.7
120.08104	0.8
120.99256	0.3
121.01555	0.3
138.01863	51.4
139.00259	15.0
139.02228	1.0
143.03645	1.3
144.03288	0.4
154.68875	0.3
156.02913	4.2
157.01263	1.7
163.89230	0.4
166.01350	12.0
166.05029	0.4
166.08582	0.6
166.09827	0.4
166.99878	0.6
167.02145	1.8
167.07050	0.4
184.02415	2.8
185.00757	1.3
185.03192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.29726	0.1
59.08223	0.1
69.38647	0.1
69.76234	0.4
77.03912	0.3
78.04670	0.2
79.05479	1.5
91.05460	0.7
93.07037	2.6
95.04973	0.3
102.00952	0.2
103.00581	0.1
103.05459	12.4
104.05780	0.3
106.34409	0.1
107.04953	2.7
107.05673	0.2
119.01894	0.2
120.02037	0.5
120.08094	100.0
121.08435	2.2
131.04912	2.1
143.03613	0.4
149.05975	0.5
166.08617	1.1
166.25525	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
65.03931	0.2
68.32136	0.1
70.99934	0.2
77.03920	0.3
78.04729	0.2
79.05482	1.5
91.05465	0.9
93.07033	2.5
95.04943	0.3
102.00963	0.3
103.00612	0.2
103.05453	11.7
104.05840	0.3
105.40999	0.2
107.04942	2.2
118.06525	0.2
118.89274	0.1
119.01913	0.5
120.02013	1.1
120.08092	100.0
121.01711	0.3
121.08433	2.3
131.04916	2.5
137.03058	0.2
138.03000	0.4
138.09085	0.2
142.03471	0.2
142.96770	0.2
143.03592	0.7
149.05960	0.5
161.04657	0.2
166.05013	0.3
166.08580	1.3
167.07033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	3.7
58.06597	3.3
58.99572	2.5
61.01147	11.8
61.37978	1.9
61.54079	1.7
62.39788	2.2
69.03420	2.0
70.06596	3.7
70.13924	5.2
72.69064	2.4
77.07346	1.8
77.84747	1.9
79.05502	1.8
81.03385	2.7
87.02667	12.4
94.06568	3.9
94.93010	45.3
96.04480	2.3
100.11258	2.5
101.00855	2.2
103.00610	17.2
105.03721	36.6
105.04372	3.0
107.97609	2.3
108.04512	1.8
113.00831	1.8
119.01911	11.7
120.02013	8.8
120.08094	8.6
121.01656	100.0
121.07594	3.8
122.06020	5.4
122.09689	2.3
125.98627	2.9
126.02252	2.6
131.01881	4.3
137.02953	3.5
138.03082	3.2
139.02678	37.9
143.03685	4.3
143.99687	7.5
144.03227	48.8
144.04228	2.8
144.04987	2.9
145.03622	2.5
149.07091	3.2
150.05475	8.0
154.04974	2.6
161.04945	2.6
162.00732	5.3
162.04247	19.4
162.06181	4.5
165.05246	1.9
166.07060	4.3
166.08400	51.7
166.09805	3.2
167.07274	5.7
167.08867	9.4
167.10146	1.9
168.06497	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	166.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23351	0.2
53.00298	0.3
55.01869	0.4
65.00291	0.5
66.01067	0.2
67.01867	0.8
68.99787	100.0
70.00118	0.9
70.25363	0.3
70.25673	0.2
71.01346	1.3
92.99764	5.8
96.99239	0.2
111.00798	12.5
113.16217	0.2
139.00256	27.4
140.00565	0.5
157.01302	1.4
166.99763	0.9
185.00789	2.7
186.01144	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	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03170	0.3
53.00282	0.3
53.03934	1.0
55.01857	0.7
65.03919	1.0
66.04711	0.8
67.05498	1.0
68.99777	0.7
69.03406	0.3
69.07063	0.5
69.87914	1.0
77.03906	0.8
78.04706	14.0
79.05041	0.5
79.05483	6.0
80.04961	0.3
81.03407	1.1
81.07053	1.4
83.04970	0.6
85.02898	0.4
85.48516	0.3
87.21372	0.3
88.65348	0.3
89.83669	0.3
91.05479	3.1
92.02625	0.4
93.03408	0.4
93.07042	4.4
94.04174	0.8
94.06525	0.4
95.04959	3.8
95.08590	0.4
96.05755	0.6
97.06502	0.7
98.22780	0.4
98.98435	0.7
103.00614	0.8
105.03364	1.4
105.04501	1.3
106.04166	5.7
107.04971	1.7
107.06071	0.8
107.08572	1.2
108.04444	0.9
109.02843	0.9
109.06523	0.9
110.03652	0.5
111.04417	0.5
111.08092	0.4
111.18396	0.3
120.01999	0.7
121.01658	6.4
121.02578	0.5
121.02892	0.5
121.06514	2.4
121.07595	1.4
121.08437	0.8
121.10123	0.5
122.03624	2.9
122.05949	0.6
123.04420	25.2
123.08084	0.4
124.05226	7.3
124.37569	0.3
125.09643	0.3
126.05621	0.4
126.06618	1.3
126.61987	0.3
131.06006	0.4
134.03604	2.0
135.04369	1.0
137.05963	1.6
137.06934	0.6
139.02689	2.5
139.07535	0.6
141.59282	0.3
144.03223	4.0
149.02370	1.4
149.06003	0.6
149.07097	1.3
149.09618	0.7
150.05490	0.7
151.03905	4.6
151.06125	0.5
152.04666	5.0
162.04283	0.9
167.07021	100.0
168.04227	0.6
168.07498	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	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03945	2.3
55.01870	2.7
55.05509	85.7
56.05828	0.9
57.03436	2.5
57.07076	3.8
59.05000	9.1
67.05500	15.6
67.74084	0.6
68.99782	0.9
69.03431	20.6
69.07053	9.8
70.00546	2.1
71.04992	3.3
73.06544	0.8
77.03931	0.7
78.04701	1.5
79.05489	8.0
81.07053	14.9
82.77178	0.7
83.04977	100.0
83.08617	35.6
84.04424	0.8
84.05299	2.1
85.06544	6.0
88.88549	0.8
90.38223	0.7
91.05476	3.2
93.07050	7.7
95.04950	2.0
95.08603	6.4
96.04486	0.8
97.06515	3.9
97.10163	10.3
99.08078	1.6
103.00649	2.5
105.04519	1.4
105.06994	3.4
107.04975	0.9
107.08585	13.9
109.06523	2.1
109.10152	18.1
110.10501	0.7
111.08075	23.0
112.08846	6.0
112.16887	0.7
113.09625	2.7
121.01661	8.6
121.06493	2.7
121.07620	1.5
121.08417	1.6
121.10139	11.1
122.53398	0.7
123.04435	2.6
123.11705	6.5
124.05196	1.3
125.06006	0.8
125.09628	12.8
126.05518	1.0
131.08604	0.9
133.90753	0.7
139.02666	1.9
141.02080	0.7
144.03223	5.1
149.02327	1.2
149.07030	0.8
149.09644	1.9
149.13226	4.3
152.04735	1.0
152.79301	0.6
166.01674	1.2
167.07005	9.4
167.08153	0.9
167.10614	1.1
167.14304	36.7
168.06540	0.8
168.14688	1.0
170.94228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0289
Annotation	4-Nitrobenzoic acid
Peak:m/z	Relative Intensity
51.02367	0.7
52.01905	3.1
53.00301	0.8
54.03467	1.4
56.05028	0.9
66.03452	1.9
68.29368	0.4
68.99786	10.9
69.36443	1.1
69.36842	0.8
69.64140	0.3
70.00124	5.9
70.02943	2.6
73.88319	0.3
83.03716	0.4
84.04497	4.8
93.13737	0.4
94.00146	0.6
94.02925	9.4
95.01322	23.6
98.02410	1.4
108.04502	0.7
111.04466	0.6
112.01130	1.3
112.03967	18.8
115.51561	0.4
122.02374	4.5
122.06033	0.4
123.00786	1.6
126.05511	0.4
139.00281	1.1
140.00601	3.4
140.03415	100.0
141.03745	2.2
150.01857	0.9
158.01616	0.4
168.02910	86.6
168.11313	0.6
169.01566	0.5
169.03229	2.2
186.01082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0291
Annotation	4-Nitrobenzoic acid
Peak:m/z	Relative Intensity
50.01594	0.4
51.02374	0.7
52.01896	3.1
52.02106	0.3
53.00312	0.9
53.98947	0.2
54.03471	1.3
56.05036	1.0
65.03957	0.5
66.03459	2.2
66.49430	0.3
67.01867	0.4
68.99785	2.8
70.00125	0.9
70.02943	1.9
71.01350	0.8
71.42822	0.3
84.04501	3.6
85.02891	0.6
94.02925	9.4
95.01325	25.5
97.02893	0.4
98.02415	0.8
103.16066	0.3
108.04452	0.5
111.04423	0.4
112.03965	19.0
113.02357	0.6
119.87823	0.3
122.02390	3.6
123.00781	3.1
138.01917	0.3
140.03416	100.0
141.01788	0.8
141.03751	1.4
150.01855	1.0
150.05479	0.4
168.02910	81.1
169.01309	9.2
169.03195	1.7
187.02361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
56.96565	2.0
57.83336	0.9
65.03947	1.4
67.05503	2.4
67.92505	4.7
69.07065	1.2
70.06582	1.4
71.33799	0.9
72.93782	0.8
79.05468	2.1
80.05009	2.9
81.03452	0.9
82.94840	8.4
83.05006	0.7
84.04494	1.0
85.93517	1.3
88.48261	0.8
92.05001	10.7
94.06581	5.7
95.04958	2.0
95.06100	1.0
96.04485	2.2
97.02938	0.8
97.06521	1.6
98.06062	1.2
98.12622	0.8
100.02502	0.9
100.95894	1.1
101.51865	0.9
103.05443	1.6
103.95620	0.9
105.06168	0.9
108.04469	7.7
109.06480	1.0
111.04443	1.9
112.07575	1.3
115.81178	0.8
120.08099	15.8
121.01679	5.6
121.08482	4.2
121.99364	1.5
122.01983	2.2
122.06023	5.6
122.07944	1.2
122.08775	12.7
123.04471	1.5
123.97388	4.7
124.03965	0.9
124.07537	1.4
126.03052	0.9
126.05507	3.1
126.93754	2.9
134.05981	2.0
136.03914	2.6
139.02676	2.3
140.00375	1.9
140.03114	1.0
140.07042	2.4
141.05457	1.2
141.27956	0.8
144.03235	2.0
144.05077	0.8
144.94826	3.0
145.00948	2.2
145.03557	2.5
150.05499	17.8
150.06490	0.7
150.09126	1.8
152.07043	4.4
154.04977	100.0
155.05339	2.2
156.03233	1.2
162.95862	6.5
163.01964	1.9
163.04633	1.3
163.97693	1.8
168.05125	1.1
168.06535	19.9
168.07819	1.5
168.10170	2.2
168.13722	1.0
168.14989	0.9
169.13307	1.0
171.22374	0.8
174.04416	2.1
186.05977	0.9
186.96718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97620	0.1
58.02958	11.8
65.03938	17.7
66.04257	0.2
67.25542	0.2
70.34164	0.4
78.24738	0.2
83.04968	0.2
87.90070	0.2
93.03399	28.2
94.03744	0.5
98.22785	0.2
108.04493	0.2
109.87915	0.2
111.04435	100.0
112.04755	2.0
122.06018	0.2
134.06026	0.4
149.77625	0.2
168.03416	0.2
168.06517	0.2
168.10211	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	169.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39869	3.2
56.96544	10.1
57.73415	3.2
58.06594	4.3
59.57501	3.3
59.65853	3.4
59.99921	3.0
70.06593	22.8
71.75692	3.4
81.03426	4.4
81.04533	4.2
81.07024	3.2
81.26530	3.2
82.06548	4.1
83.06092	13.2
84.08131	5.4
96.06855	9.2
96.08071	4.1
98.06023	6.3
100.08714	3.2
101.00885	4.6
109.02916	3.0
109.03992	4.0
109.07610	11.9
110.06057	3.5
110.07143	4.4
114.05516	4.3
115.16931	3.3
119.01917	17.3
120.01958	4.4
121.01689	4.4
123.04413	3.4
124.07587	9.5
124.08702	24.5
134.05052	5.7
134.06015	69.8
137.03001	4.0
137.04420	3.4
141.05423	5.5
141.10217	4.5
145.52617	3.1
146.02930	20.3
150.66716	3.7
151.05827	15.2
151.08627	5.7
152.07053	100.0
163.97670	4.1
169.04684	9.2
169.07224	4.5
169.09706	5.7
170.09372	6.2
172.95314	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	169.0131
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
53.00302	1.1
55.01864	1.1
55.64871	0.3
57.03434	3.3
65.03940	7.2
66.04316	0.3
67.01859	1.6
68.99783	3.2
69.23049	2.0
71.01356	3.1
82.09411	0.3
85.02901	6.0
91.05473	0.5
93.03400	5.4
93.19442	0.3
95.01326	12.7
95.04966	0.5
98.22697	0.6
101.10751	0.3
104.64374	0.3
110.03644	1.3
111.04435	9.3
111.05179	0.7
113.02369	6.9
119.05024	0.5
123.00790	8.2
125.05970	2.5
128.01035	0.4
141.01807	3.6
141.05490	0.4
151.00259	1.4
151.03893	2.2
151.07529	0.7
159.02898	0.7
169.01315	100.0
170.01637	2.1
187.02333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.013
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
53.00313	2.7
54.89087	0.4
55.01873	6.7
55.55398	0.4
57.03433	2.3
60.09684	0.5
65.03931	0.8
67.01854	1.9
68.99792	11.1
69.31664	2.6
71.01348	7.1
79.01854	1.2
81.90511	0.4
83.01344	1.3
85.02908	5.4
93.03409	1.0
95.00729	1.0
95.01319	14.8
98.22717	0.9
99.00809	1.0
107.51151	0.5
109.61619	0.5
111.04442	1.1
111.37167	0.5
113.02363	8.9
123.00784	17.2
125.06047	0.5
141.01814	13.9
143.12451	0.5
151.00279	1.8
159.02898	0.7
168.84212	0.5
169.01312	100.0
170.01645	2.3
187.02368	25.1
188.02666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.2
55.01871	3.3
57.03434	3.6
62.68071	0.3
64.17580	0.4
65.03932	4.0
67.01860	2.6
68.99788	7.5
71.01352	4.0
79.01842	0.4
79.05500	0.4
83.01344	0.9
83.40202	0.4
85.02900	6.9
93.03397	1.6
95.01330	16.1
95.03243	0.7
96.01662	2.2
98.22663	0.7
99.00828	0.7
100.26395	0.4
110.03655	0.5
111.04433	4.6
112.03981	0.8
113.02361	8.1
113.04282	1.6
123.00788	13.2
125.05974	1.7
137.02338	0.5
140.03419	1.2
141.01863	6.5
141.03781	7.1
142.02223	0.4
151.00272	1.7
151.03926	0.8
151.08672	0.5
152.07072	0.7
154.07695	0.6
155.59349	0.4
159.02942	0.9
169.01318	100.0
169.03313	6.3
169.07616	1.2
169.10034	1.3
170.01617	2.0
187.02374	10.7
187.03680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0131
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
53.00296	1.3
55.01859	0.7
57.03438	2.9
60.56032	0.4
65.03939	3.9
67.01863	2.6
68.99783	3.8
71.01350	3.3
73.02892	0.6
81.07041	0.5
85.02897	7.9
93.03394	2.8
95.01322	14.1
110.03666	0.6
111.04431	4.7
113.02361	8.1
123.00780	9.2
125.05981	1.3
141.01828	3.9
151.00250	1.8
151.03900	0.9
159.02870	0.8
169.01312	100.0
169.09828	0.6
170.01620	2.0
187.02364	1.3
187.11295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0131
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
53.00299	2.2
55.01871	2.3
56.37328	0.4
57.03437	3.6
58.53653	0.4
65.03941	7.8
66.95834	0.4
67.01864	2.2
68.99790	6.0
71.01354	4.0
81.07071	0.5
83.01321	0.7
85.02905	7.8
87.49246	0.4
89.80347	0.4
90.39332	0.4
90.98740	0.4
93.03397	5.7
95.01328	13.8
98.23459	0.7
105.01820	0.4
109.02930	0.4
110.03651	1.4
111.04440	8.2
113.02365	6.7
123.00794	11.8
124.01142	0.5
125.06026	2.5
141.01808	6.0
151.00243	1.6
151.03900	1.5
159.02876	0.5
169.01318	100.0
169.07596	1.1
170.01620	2.6
187.02380	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	169.0496
Annotation	DHMAL
Peak:m/z	Relative Intensity
55.01872	0.5
65.03939	85.4
66.04279	1.3
67.05502	1.4
67.80871	0.4
68.05001	0.4
70.11727	1.0
74.67357	0.3
79.05468	0.6
81.03410	1.9
81.07018	0.4
89.46530	0.4
93.03401	58.4
94.03748	0.9
95.01373	0.5
95.04961	1.6
97.06517	0.5
98.23309	0.6
100.07632	0.5
102.43377	0.4
106.00365	0.4
107.04949	0.9
107.08578	0.5
108.02090	1.1
109.02858	1.5
110.03657	15.3
111.04438	100.0
112.04755	2.4
123.04400	1.2
124.05228	0.5
125.05987	33.7
134.06029	0.6
136.01596	0.6
137.02243	0.5
141.05438	1.1
151.03908	21.9
151.05000	2.2
152.04234	0.6
154.02553	0.5
169.01323	3.9
169.04967	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	169.0496
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03944	0.5
55.01875	0.9
55.05500	0.5
65.03939	70.5
65.07868	0.4
66.04285	0.8
67.05503	1.7
68.99795	1.2
69.03432	1.3
70.15685	1.0
71.01357	0.9
71.04995	0.9
71.58408	0.4
77.03936	0.4
79.05501	1.0
81.03410	1.2
81.07054	1.0
83.04967	0.6
84.22226	0.4
85.02905	1.8
85.94606	0.6
91.05487	0.9
93.03403	34.1
93.07044	0.6
94.03772	0.6
95.01323	3.3
95.04951	2.7
95.08642	0.6
97.02890	1.4
97.06527	1.0
98.23378	0.6
100.07616	3.4
105.04558	0.5
105.07101	0.5
105.27808	0.4
107.04959	0.5
107.08617	0.7
108.02139	0.8
109.02890	1.4
109.06521	0.7
110.03655	11.0
110.67673	0.4
111.04440	100.0
112.04783	1.8
113.02361	1.7
123.00799	1.8
123.04423	4.7
123.08062	0.9
124.07560	0.4
125.05988	29.1
126.01064	1.1
126.06332	0.7
134.06015	0.9
141.01834	1.4
141.05467	1.3
141.06966	1.8
151.03908	16.9
151.05028	2.1
151.07565	0.7
151.08679	0.9
151.11137	0.6
163.97649	0.7
169.01328	25.3
169.04980	7.1
169.06424	1.0
169.07617	1.7
170.09578	0.6
187.02417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
55.01844	0.4
56.48968	0.4
56.96568	0.6
59.54567	0.4
65.03939	65.9
66.04271	0.9
67.05499	1.4
68.05028	0.4
79.05479	0.7
81.03424	1.5
81.07043	0.9
82.06576	0.6
84.08134	0.5
85.94633	0.5
93.03400	24.4
93.07054	0.8
94.03740	0.4
95.04959	1.7
95.08626	0.4
97.06525	0.7
105.04482	0.4
105.06975	0.4
107.04977	0.6
108.02109	1.4
109.02856	1.8
109.10142	0.4
110.03661	11.1
110.04416	0.6
110.06063	0.7
111.04438	100.0
112.04781	1.7
123.04433	1.7
123.08029	0.5
123.09174	0.4
125.05989	28.1
126.03147	0.6
126.06306	0.6
134.06000	1.6
141.05443	1.3
145.96648	0.4
151.03912	17.2
151.05022	2.5
151.08644	4.9
152.04279	0.5
152.07019	1.5
163.97693	1.0
169.01375	0.8
169.04962	5.9
169.07533	1.8
169.09799	0.8
170.09624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
58.06598	0.9
65.03939	79.7
66.04296	0.7
67.01871	0.6
67.05499	2.1
68.05028	1.3
69.73910	1.6
71.04984	0.6
75.50887	0.6
79.05490	0.7
81.03423	0.9
81.07063	1.2
81.67253	0.5
93.03404	50.8
93.86201	0.5
94.03752	1.1
95.04961	2.7
95.08586	1.1
97.06490	0.8
98.23484	0.8
100.07623	1.1
106.05669	0.5
107.13152	0.6
108.02071	0.7
109.02871	2.0
109.06536	0.8
109.10201	0.7
110.03666	12.1
111.04440	100.0
112.04038	0.5
112.04806	1.8
116.65174	0.5
119.59949	1.2
123.04379	1.0
123.08057	1.4
123.11713	1.0
124.05245	0.6
124.09436	0.7
125.05992	31.6
126.06322	0.8
132.40680	0.5
134.06044	0.7
136.25662	0.6
141.05476	1.1
151.03906	22.3
151.04976	1.1
151.07600	0.6
154.02539	0.6
163.97736	0.8
169.01384	2.8
169.04984	7.7
169.07570	4.8
169.14479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	DHMAL
Peak:m/z	Relative Intensity
55.01846	0.7
65.03939	81.0
66.04282	0.8
67.05499	1.5
68.69128	0.5
68.99796	1.3
69.12267	1.2
69.12663	2.9
81.03421	2.6
83.04977	5.6
85.02898	4.4
86.35065	0.5
91.05531	0.6
93.03403	54.4
93.17017	0.6
94.03745	0.8
95.04977	1.9
97.06548	1.0
98.23407	1.4
100.07568	0.7
107.04955	0.6
108.02091	0.9
109.02906	2.8
109.06518	1.5
109.10134	0.6
110.03659	13.1
111.04439	100.0
112.04771	1.6
123.04417	1.9
125.05991	36.2
126.06315	0.6
134.06049	1.4
141.05478	1.2
142.77431	0.7
151.03906	24.7
151.05005	2.4
154.02608	0.6
169.01326	1.2
169.04970	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
53.03945	0.6
55.01884	0.6
55.05525	0.5
56.96553	0.8
62.85566	0.5
65.03938	70.7
66.04291	1.0
67.05505	2.0
67.93581	0.6
68.99786	0.6
69.03432	0.6
71.05028	0.5
79.05485	1.1
79.77902	0.5
81.03421	2.2
81.07056	2.4
85.02904	0.6
85.94603	1.2
93.03397	23.5
95.04945	2.7
95.08613	1.1
97.02924	0.7
99.04473	0.7
101.97978	0.5
103.95669	0.8
105.04539	0.6
107.08593	0.9
109.02883	4.1
109.06516	1.2
109.07590	0.6
110.03651	11.5
111.04435	100.0
111.08044	1.1
112.04777	1.4
123.04433	2.7
123.08061	1.3
125.05982	26.7
126.03139	1.9
127.03912	0.9
134.05995	2.2
137.30803	0.5
141.05450	4.2
151.03906	15.4
151.05014	2.1
151.08669	2.4
152.07063	3.0
163.97707	1.3
169.01424	3.7
169.04958	6.8
169.07570	8.3
169.09767	1.0
170.09625	0.9
181.98808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	DHMAL
Peak:m/z	Relative Intensity
50.28228	0.6
65.03940	94.3
66.04282	1.0
67.05499	1.4
71.43427	0.8
77.03931	0.6
77.23092	0.6
79.05490	0.7
81.03439	1.8
93.03402	63.2
95.04964	2.5
97.06483	1.0
100.07630	2.0
107.04990	0.8
108.02091	1.2
109.02888	2.2
110.03661	15.3
111.04441	100.0
112.04768	1.6
115.99307	0.6
123.04450	2.0
124.05201	0.6
125.05990	32.7
126.06331	1.1
134.06082	1.1
141.05498	1.1
141.06955	0.6
148.91510	0.8
151.03909	20.9
151.05003	2.6
155.19873	0.6
169.01364	0.7
169.03458	1.1
169.04958	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	169.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12211	4.2
62.81193	5.4
71.41784	4.7
85.15034	4.1
87.01636	4.0
124.03725	12.9
151.04776	100.0
152.03177	31.1
164.97850	4.8
169.05771	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	169.0858
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
55.05519	1.4
57.03416	1.7
58.28801	1.4
65.03942	47.6
67.05493	3.2
79.05474	3.1
81.03410	3.2
91.05479	100.0
92.05812	2.3
93.03402	22.1
93.07033	2.0
95.01881	1.8
95.04976	15.4
95.08613	3.2
97.02927	1.9
100.07575	4.2
109.06516	2.9
110.03661	5.3
111.04439	51.7
115.05431	1.7
119.04945	56.4
123.04417	9.8
123.08071	4.4
125.06007	13.8
136.05154	10.8
137.05978	4.4
141.05528	1.7
141.06992	10.0
151.03908	11.3
151.07544	89.0
152.07954	2.1
152.10699	3.5
169.01370	7.4
169.04933	6.3
169.06323	3.4
169.07562	7.9
169.09854	3.8
170.09669	2.8
171.25177	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	1,2-Campholide
Peak:m/z	Relative Intensity
54.64684	0.9
55.01869	1.0
55.05499	2.8
57.07079	9.2
59.04997	2.3
65.03928	7.6
65.83646	0.9
67.05505	15.6
69.07059	5.1
69.10214	6.4
71.04993	2.4
79.05516	1.4
81.03426	1.6
81.07066	6.6
83.08611	5.3
85.06561	0.9
91.05463	1.9
93.03411	2.9
93.07015	4.9
95.04978	1.4
98.22742	1.7
99.04399	1.0
103.08794	0.9
107.08572	2.4
109.10152	73.1
110.03622	1.1
110.10490	2.2
111.04446	9.7
111.08077	100.0
112.08416	2.1
112.81252	1.0
123.04449	1.5
123.08077	1.6
125.05963	2.5
126.03091	1.8
127.01566	3.2
127.11192	88.8
128.11525	1.9
137.02347	2.2
141.05438	2.7
141.06970	1.1
142.45099	0.9
151.03860	2.8
151.08696	1.2
151.11186	2.1
152.07079	2.6
162.55472	1.0
169.04953	3.7
169.07579	9.4
169.09981	2.8
169.12215	9.1
170.09575	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	170.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56530	3.9
55.05495	12.2
56.05022	5.3
56.96564	40.5
65.03928	19.6
66.04265	12.4
68.05038	5.4
68.99773	5.7
70.06583	8.8
70.94254	6.8
72.04504	22.2
79.05475	6.4
80.05025	8.6
81.03397	6.1
81.07064	7.4
81.84966	4.3
82.06567	7.7
83.06091	5.8
83.08615	9.6
84.04498	7.5
84.08085	5.6
84.96037	6.7
86.09702	13.1
86.98798	3.7
87.04407	5.6
88.95280	8.6
89.07120	16.2
89.07592	4.4
92.05000	11.8
93.05786	19.9
94.03722	4.1
96.04475	6.3
96.06868	5.6
96.08102	6.8
97.99203	4.6
98.06052	4.9
103.02477	4.4
107.08672	4.4
109.07633	5.4
110.06040	13.6
110.07163	9.9
111.04453	50.2
112.04778	19.5
119.01946	6.1
121.03973	8.8
122.79951	4.1
124.07681	22.0
124.08641	22.4
124.09522	4.4
124.11209	8.5
126.01063	79.6
126.06308	6.5
127.01542	30.1
127.03964	9.7
128.07050	7.2
128.95114	5.7
134.06015	56.0
134.76428	4.4
139.03902	32.3
140.07001	6.6
142.03261	9.0
146.96152	5.0
147.96686	4.6
152.04295	4.8
152.07053	100.0
153.07379	9.0
155.03386	14.7
167.04485	4.2
170.05670	11.9
170.07999	48.7
170.09625	52.2
170.11748	8.3
171.14929	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	171.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45355	14.2
63.44443	13.6
85.56177	12.6
96.06868	21.2
96.92242	22.3
112.89608	100.0
124.08707	28.2
125.09045	32.9
125.99113	12.7
131.14903	14.5
144.05104	20.4
188.99840	14.4
192.77211	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	171.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14335	19.6
65.16437	19.9
68.05032	33.5
69.44454	65.0
70.06593	60.4
71.56336	18.8
76.33466	18.8
78.16221	17.1
84.08144	28.9
94.06569	82.7
95.06091	18.9
96.06876	52.6
96.92220	31.8
97.07684	19.2
98.97626	18.5
100.07671	29.1
107.25160	17.2
108.62278	21.5
111.09190	41.9
112.07619	100.0
112.89620	53.5
117.16731	19.2
119.01894	32.9
124.08704	25.7
125.07140	46.3
144.05046	22.4
171.07652	51.3
171.11298	77.8
171.15053	22.9
172.04587	25.0
172.10780	22.0
178.23997	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03957	0.5
55.01876	1.8
55.05511	4.1
65.03941	31.7
67.05505	1.7
68.99789	9.7
69.03423	1.3
70.69550	0.8
70.94260	0.7
72.04513	5.3
81.03414	4.7
83.01309	0.5
83.04475	0.6
83.04978	11.1
83.08611	0.5
88.95296	0.7
89.07159	2.9
93.03407	10.8
95.04987	0.5
96.02121	1.8
97.02914	1.4
100.07620	4.5
101.09360	0.4
109.02890	0.8
110.03677	0.6
111.04440	97.1
112.04784	1.4
114.91185	0.4
121.02885	2.2
121.03990	12.4
126.01061	1.2
127.03929	0.4
130.96327	0.6
139.03897	100.0
140.04234	2.1
152.43718	0.4
171.06517	4.8
171.14894	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	171.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
53.85379	0.4
54.61554	0.3
55.01871	7.7
55.05509	100.0
56.05850	0.9
57.03440	1.1
57.07084	1.3
59.04995	2.6
65.44607	0.4
67.05505	10.0
69.03429	4.5
69.07067	13.4
70.07412	1.1
71.04987	0.5
71.08630	1.2
72.04515	16.4
79.05039	0.9
79.05493	15.4
81.07053	13.8
82.07395	0.4
83.04981	4.4
83.08616	38.5
84.08971	0.6
85.06563	0.8
87.04460	0.7
89.07151	10.6
89.40614	0.4
91.05485	3.1
93.07046	2.7
94.07392	0.5
95.08621	1.3
97.06531	0.7
97.10165	38.1
98.10520	1.0
98.71235	0.4
101.09674	1.5
105.07051	1.1
107.08591	9.6
108.08980	0.7
109.06528	1.0
111.08106	1.4
112.38926	0.5
117.07036	0.6
119.06110	0.4
125.09624	8.3
125.10500	0.6
128.06242	1.0
129.07008	1.2
135.08066	1.1
136.12050	0.6
142.07735	0.4
143.08572	1.1
154.13057	0.6
156.09338	1.9
171.05521	0.8
171.07976	0.5
171.11731	3.4
171.14909	7.2
171.16173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	(1R,2R,4S)-p-Menth-5-ene-1,2-diol
Peak:m/z	Relative Intensity
51.73515	1.1
55.05505	27.4
57.07064	4.8
61.02918	4.2
67.05501	4.2
69.07060	10.6
71.08624	56.8
72.04510	100.0
79.05488	3.1
81.07056	12.1
83.04962	1.9
83.08610	24.2
85.06544	3.4
89.07150	63.8
93.07030	6.5
95.08591	6.5
97.06519	10.4
99.08091	38.3
101.05985	5.9
107.08585	7.7
109.10148	4.7
111.05541	2.7
111.08095	8.8
119.89346	1.3
135.11678	2.4
143.08487	1.6
153.12715	5.6
156.09355	3.3
171.11612	4.2
171.13770	73.8
171.14964	36.8
172.13972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49369	9.1
55.05512	100.0
56.69426	10.0
59.05005	14.0
68.05009	11.7
70.06582	43.8
70.09661	11.5
70.09984	18.5
72.04517	51.7
78.95628	36.4
82.06531	10.2
83.04987	70.4
83.08607	14.6
89.07159	41.9
97.07686	8.5
98.07177	10.5
98.97544	9.7
100.02494	10.6
101.06015	56.5
111.04443	83.6
112.08733	11.5
113.06071	8.5
125.30052	8.7
129.05472	29.1
134.99579	9.2
148.02718	40.7
148.80397	11.6
153.78236	9.4
155.07030	51.4
171.11238	19.0
171.14894	29.7
172.07492	15.6
172.09570	14.2
172.10791	59.8
172.13336	18.3
172.17003	11.9
173.03015	12.0
173.08118	69.6
192.60643	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	172.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17807	15.0
54.51265	14.8
56.96547	16.8
68.05004	14.6
70.06583	100.0
70.19646	13.9
72.04525	18.1
72.08144	19.6
81.03368	15.8
84.04490	33.3
95.28546	15.9
98.06081	46.9
98.97569	46.1
100.07610	26.5
111.04483	19.2
111.46326	17.2
111.95873	14.7
112.08778	16.8
116.98582	23.0
119.01940	27.3
124.21971	14.6
126.05524	46.1
126.09164	19.2
126.10237	23.1
144.05075	33.5
153.30397	18.5
169.98752	17.9
172.09512	30.2
172.10852	54.5
173.04282	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	173.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59118	2.0
53.03922	1.9
55.05505	65.2
57.03423	4.5
57.07066	4.3
59.04991	13.6
62.98293	1.6
63.12264	1.8
65.03897	2.2
67.05500	100.0
68.19949	1.6
69.03421	2.9
69.11216	11.5
71.04989	2.7
72.93783	18.8
76.02200	4.2
79.05474	7.5
81.07047	14.9
83.04972	47.2
83.08599	6.7
85.06540	5.1
86.83633	1.7
87.04449	5.4
89.02374	2.0
90.90377	4.5
90.94822	17.2
91.05477	19.6
93.07047	2.9
95.06075	2.0
95.08592	4.3
98.23508	4.2
101.06009	30.3
103.03275	8.1
105.07034	10.4
107.08583	3.2
108.95830	5.7
109.10146	63.3
111.04437	54.2
113.04025	1.5
113.06013	3.4
113.96379	3.3
115.05401	2.4
116.06205	2.7
117.07027	18.7
118.06530	3.1
119.08558	11.2
119.46125	1.7
122.30183	1.7
126.24400	1.9
127.07520	4.6
129.05466	21.2
129.07007	5.3
130.07768	2.2
131.08553	66.4
131.97385	3.0
132.95798	3.2
137.06979	2.1
137.09615	1.8
143.08572	8.8
144.09256	5.6
145.06490	4.1
145.07578	4.3
145.10109	23.9
149.94060	3.7
149.96051	5.1
155.07028	33.5
155.08197	3.3
158.07251	3.7
158.10933	14.2
163.15569	2.0
167.97157	6.9
173.08142	47.4
173.11742	4.2
173.13229	59.1
193.38953	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	173.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	29.5
55.25297	1.2
55.42165	0.9
57.03418	2.9
57.07056	2.4
59.04996	8.4
65.03930	1.7
67.05500	100.0
68.05823	1.4
69.03452	1.3
69.07050	2.5
69.74303	1.1
69.74641	3.2
71.04977	2.6
72.93787	5.2
75.93887	0.8
76.02215	1.5
79.05474	4.1
81.07048	13.9
81.94832	0.9
83.04974	17.1
83.08611	5.4
85.06073	1.1
85.06535	3.5
87.04504	1.0
89.02386	1.6
90.94833	4.9
91.04940	1.3
91.05475	15.5
93.07020	3.3
95.04955	1.9
95.06067	1.1
95.08590	4.2
98.23453	1.8
101.06015	12.8
103.03275	2.6
105.07016	4.9
107.08553	2.0
108.95873	1.0
109.10150	63.2
110.10459	1.3
111.04436	19.9
111.08054	2.3
113.05997	2.1
115.05463	2.2
116.06238	1.8
117.07045	9.5
118.07358	1.0
119.08556	9.4
127.07524	1.3
129.05487	7.2
129.07007	5.7
130.07761	1.7
131.08559	40.8
132.08858	1.1
134.46603	1.0
137.09622	2.4
140.91879	0.9
143.08557	6.4
144.09279	2.3
145.06493	1.0
145.10123	12.1
152.57954	1.0
154.60291	1.1
155.07040	12.3
158.10928	7.3
173.08170	17.9
173.11757	3.6
173.13228	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05500	3.7
62.74727	0.9
66.70760	0.8
67.05482	3.3
68.33415	0.8
69.47993	3.2
69.65371	0.9
79.05501	5.1
81.07050	8.0
83.04967	2.5
85.33626	0.9
91.05474	13.8
93.07049	3.8
95.04920	1.0
98.98447	1.2
101.06010	2.1
105.07021	17.8
107.08562	0.8
111.04429	2.4
115.05437	2.9
116.06221	2.7
117.07016	14.0
118.07314	0.8
119.08568	11.4
128.06218	1.9
129.05493	1.5
129.07013	11.4
130.07770	3.8
131.08554	100.0
132.08865	2.5
133.10085	2.8
142.07777	0.9
143.08546	15.4
144.09346	9.6
145.07591	1.3
145.10104	34.0
155.07036	2.1
156.09306	1.2
157.10181	1.0
158.10893	19.7
171.11662	2.3
173.08315	2.9
173.13240	96.6
174.13617	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	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18976	0.6
53.03936	1.4
55.05509	2.4
67.05505	2.8
69.18628	3.2
69.19032	0.9
70.23713	0.6
79.05489	4.6
81.07052	8.5
87.69315	0.6
91.05478	16.9
91.06044	0.9
93.07027	4.5
95.04948	1.4
95.08608	1.5
97.87870	0.6
98.22731	1.5
101.17834	0.6
105.07027	21.2
105.91520	0.6
107.08580	0.9
111.04438	2.0
115.05465	2.3
116.06242	3.6
117.07014	14.1
119.08580	12.7
128.06259	1.8
129.07002	11.4
130.07776	4.4
131.08560	99.1
132.08839	1.7
133.10109	5.7
142.07750	0.8
143.08551	12.9
144.09341	8.0
145.10121	40.2
146.10463	1.0
150.21915	0.7
155.07060	1.0
156.09338	1.1
157.10095	1.3
158.10904	17.5
163.01892	0.7
171.11681	0.8
173.13252	100.0
174.13585	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.43548	0.8
55.05498	2.2
57.07058	1.2
66.82399	0.9
66.82756	0.9
67.05504	5.4
69.07043	1.2
69.76470	3.5
69.76832	1.4
79.05494	6.2
81.07043	3.7
91.05471	25.1
93.07008	4.4
95.04950	1.6
95.08597	1.5
103.05451	1.3
105.07019	20.2
115.05431	5.0
116.06207	6.8
117.07005	21.6
119.08564	14.9
128.06221	3.1
129.06989	15.2
130.07831	5.7
131.08554	100.0
132.09064	1.0
133.10132	1.4
138.99248	0.9
143.07446	1.2
143.08542	19.0
144.09343	12.5
145.10114	38.5
146.10434	1.0
155.08504	0.9
158.07239	1.1
158.10910	18.4
161.21722	0.8
169.38158	1.0
171.11647	2.2
173.09618	2.6
173.13240	71.4
174.13570	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
54.45888	0.5
55.05507	2.6
56.92728	0.5
57.07063	1.7
58.71831	0.5
62.38961	0.5
63.38576	0.5
65.03918	0.8
66.33514	0.6
67.05501	4.4
69.07056	1.6
69.76559	1.8
77.03925	0.6
79.05482	5.1
81.07052	5.6
83.04971	1.0
91.05471	22.2
92.05826	0.6
93.07048	4.1
95.04935	1.1
95.08599	2.2
98.22734	1.0
99.45616	0.6
105.07018	18.3
107.08607	1.3
108.55287	0.5
111.04432	2.0
115.05455	3.9
116.06240	4.6
117.07005	21.5
119.08572	12.0
128.06223	2.2
129.05510	0.6
129.06987	14.5
130.07791	5.1
131.08549	100.0
132.08871	2.9
133.10114	1.7
143.08536	15.6
144.09341	8.7
145.10106	41.5
146.10437	0.7
155.06995	0.9
155.08449	0.7
156.09306	1.0
157.10109	1.3
158.07281	1.5
158.10895	19.5
159.11272	0.7
171.11642	2.2
173.09631	3.2
173.13240	86.8
174.13612	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03933	0.9
55.05526	2.7
56.80154	0.5
57.07071	2.0
60.48791	0.5
62.52733	0.6
65.03929	1.3
67.05502	4.7
69.07064	1.3
69.48790	2.7
76.02276	0.5
77.03939	0.7
79.05489	6.0
81.07056	5.7
83.04978	0.8
89.46915	0.6
91.05476	19.5
93.07037	4.4
95.04951	0.9
95.08607	2.4
97.86067	0.7
98.21594	0.5
103.05459	0.9
105.07024	17.0
107.08547	1.1
111.04444	1.1
115.05428	3.6
116.06225	4.6
117.07015	20.3
118.07831	0.7
119.08571	16.1
128.06224	3.2
129.05560	0.7
129.06992	14.5
130.07793	5.1
131.08559	93.3
132.08908	2.1
133.10112	1.4
136.15807	0.7
136.16928	0.5
142.07799	0.7
143.08553	18.3
143.09631	1.3
144.09346	9.8
145.10117	40.6
146.10493	1.5
147.28166	0.5
154.07846	0.6
155.07062	0.8
155.08519	0.8
156.09328	1.8
157.10101	1.3
158.07259	1.1
158.10902	23.1
159.11215	0.6
171.11711	2.8
173.08229	1.7
173.09654	3.1
173.13251	100.0
174.13560	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.48215	0.6
54.92176	0.9
55.05507	5.7
57.07075	0.7
59.04993	1.0
67.05498	1.0
67.64276	0.6
71.43261	0.9
72.12830	0.6
72.93787	1.4
76.02215	1.7
81.04556	0.9
81.07047	2.0
83.04971	5.0
87.04408	0.7
90.90340	1.0
90.94794	0.8
91.05470	9.0
95.06087	1.3
98.98448	6.6
101.06004	4.4
103.03265	2.2
103.05474	0.8
105.07046	5.4
111.04427	4.7
115.05418	1.1
116.06243	3.6
117.06995	3.7
118.06546	1.0
119.08566	4.0
127.07521	0.8
128.06207	1.0
129.05479	2.4
129.06982	5.4
130.07790	1.8
131.08557	100.0
132.08891	3.1
143.08572	7.9
144.09337	4.6
145.07631	1.7
145.10126	16.3
149.94011	1.4
155.07019	3.7
158.07372	0.9
158.09761	1.1
158.10905	10.7
173.06862	0.9
173.08383	6.4
173.13246	72.1
174.13564	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	174.1279
Annotation	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Peak:m/z	Relative Intensity
54.94318	0.4
57.07061	2.1
60.05651	3.1
68.05036	0.4
69.03407	0.5
70.06591	14.1
71.04993	2.8
81.07048	0.7
86.06068	0.9
91.05472	3.0
95.04963	0.8
98.98474	1.9
105.07033	0.9
106.06556	4.7
114.05526	8.7
115.05402	0.5
116.07063	0.8
117.05766	5.1
118.06538	17.8
120.08123	0.7
129.06941	0.5
130.06528	4.1
131.07326	4.1
132.08086	42.7
133.08377	0.6
142.07768	0.8
144.08081	12.2
145.08862	10.2
146.09647	2.9
151.93924	0.5
157.10130	0.9
158.09651	10.3
159.10431	11.5
172.11217	0.5
174.08836	2.1
174.12778	100.0
175.11818	0.7
175.13176	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	174.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	22.4
58.06602	3.7
58.66887	0.6
60.05641	1.0
62.05780	1.2
62.06089	18.8
70.06588	4.5
70.95872	0.8
71.08631	17.7
72.93798	0.8
75.49834	0.6
91.05467	1.0
97.02888	0.6
98.98454	4.7
105.46268	0.6
111.98538	0.7
114.05541	0.6
119.04942	0.8
121.88112	0.5
131.97403	0.7
132.95831	1.4
150.96872	1.3
156.16293	1.0
156.17473	14.3
162.96474	0.7
173.98511	0.6
174.06352	2.8
174.18526	100.0
175.18846	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49269	0.3
57.72652	0.2
69.54169	0.7
69.54580	0.6
70.06557	0.2
80.05009	0.6
82.00156	0.2
94.34639	0.3
98.22720	0.5
98.98428	0.3
105.04508	1.0
106.06543	1.3
107.06056	1.1
108.06833	0.5
118.05236	0.4
119.06071	0.9
120.05577	0.8
127.31701	0.3
131.06023	1.1
132.05562	0.5
132.34178	0.2
132.83273	0.2
133.06346	4.1
133.07588	1.4
134.07133	2.7
135.05518	0.3
146.07118	4.2
147.06645	6.6
148.07480	0.4
148.08681	2.0
158.07150	3.6
159.07909	6.3
173.08104	0.2
174.08995	3.0
175.09772	100.0
176.10144	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.12944	1.0
55.01836	1.5
55.05495	3.0
57.03432	20.4
59.33486	1.0
60.05627	4.3
65.03928	1.2
67.05497	13.2
69.03413	1.4
69.07034	1.0
70.06239	1.3
70.06588	13.3
79.05486	7.7
81.07034	3.9
91.04947	1.3
91.05474	20.8
92.05876	1.2
93.07012	4.6
95.04955	15.3
95.08581	1.3
98.98462	46.4
103.05435	1.5
105.04489	1.2
105.06358	1.6
105.07025	26.5
107.04939	8.3
107.08629	1.6
115.05437	2.6
116.06315	1.2
116.07064	4.0
117.07014	6.4
119.04923	1.7
119.08575	54.1
121.06479	6.7
128.06215	2.8
129.04424	1.0
129.06996	8.4
130.09755	1.8
131.04921	4.5
131.08537	3.7
132.05664	3.8
132.06654	1.0
133.06485	30.7
133.10107	11.8
135.08047	2.5
137.01550	1.2
139.01169	1.3
142.07776	8.4
145.06477	10.7
145.10136	2.9
146.06084	1.7
146.07254	40.7
147.08041	76.1
147.11671	15.8
148.08331	1.6
157.04225	2.3
157.07558	3.8
157.10089	8.9
158.09196	1.3
159.07922	1.3
160.08823	8.8
175.00085	1.2
175.07466	2.9
175.09761	15.5
175.11147	100.0
175.14662	9.0
176.11537	2.6
193.77748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03020	0.1
55.05512	0.1
60.05639	34.0
61.05357	0.1
68.05022	0.3
69.05776	0.1
70.06581	100.0
70.45767	0.1
71.04983	1.5
71.06298	0.1
71.06915	0.8
72.08143	4.4
74.02426	0.1
84.08136	1.3
88.07626	0.5
97.07629	0.8
98.06022	0.6
98.98483	0.1
99.04449	0.1
101.00872	0.2
112.08713	3.9
113.07131	0.4
114.10255	0.6
115.08678	0.8
116.07073	23.5
117.07413	0.4
119.01902	0.4
128.34192	0.1
130.09743	10.8
131.10094	0.1
133.09750	0.2
140.08145	0.1
141.06557	0.3
144.47192	0.1
151.51996	0.1
157.10834	0.9
158.09230	5.9
159.09540	0.1
162.31802	0.1
175.11876	15.2
176.12186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05646	34.9
69.74258	1.3
70.06589	100.0
71.04987	1.5
71.06927	1.4
72.08150	4.5
97.07643	0.6
98.06047	0.9
98.23380	0.7
104.47977	0.3
112.08725	3.7
113.07126	0.4
114.10283	0.5
115.08657	0.5
116.07083	24.6
130.08781	0.6
130.09756	11.7
157.10841	1.1
158.09238	6.6
175.11896	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	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
52.12687	0.3
55.55362	0.3
60.05646	39.8
65.14921	0.3
66.01648	0.3
70.06588	100.0
70.96727	0.5
71.04987	2.1
71.06915	1.3
72.08153	4.0
88.07652	0.3
97.07648	1.0
98.06055	0.7
112.08721	4.5
114.10320	0.9
115.08684	0.9
116.07085	28.9
117.07417	0.5
130.09761	12.5
132.02097	7.5
132.03036	0.5
133.03371	0.3
141.06580	0.5
155.89148	0.4
157.10878	1.0
158.09247	7.0
165.77013	0.3
168.52834	0.3
175.11894	22.2
176.01123	1.2
191.93341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05643	37.7
70.06585	100.0
70.79181	0.7
71.04983	1.4
71.06911	1.4
72.08144	4.3
84.08136	0.6
88.07620	0.5
97.07622	0.5
98.06044	0.7
98.98466	0.7
112.08728	4.8
114.10312	0.8
115.08668	0.8
116.07081	29.3
116.99302	0.3
117.07372	0.5
119.98416	0.4
124.37354	0.3
130.09752	14.9
132.02087	1.6
157.10837	1.6
158.09245	8.3
175.11887	22.0
176.01071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03958	0.6
55.05256	0.7
55.05507	11.0
57.07048	0.9
60.05629	1.7
62.64889	0.6
67.05499	3.4
69.07060	24.0
69.25134	2.6
70.06589	2.9
79.05489	3.3
81.07053	10.7
83.08603	5.1
91.05473	11.7
93.07045	4.2
95.04963	0.7
95.08610	5.9
98.98465	4.9
103.05436	0.7
104.06271	0.9
105.04544	0.8
105.07018	34.5
106.07384	0.8
107.08582	7.2
115.05439	2.0
116.07082	0.9
117.07027	4.0
118.07782	1.0
119.08569	91.7
120.08887	1.4
121.10161	2.7
123.97848	0.5
131.08551	5.6
132.09340	0.7
133.06349	2.0
133.10115	77.3
134.07103	1.1
134.10413	2.7
135.11682	1.4
142.07770	0.6
145.10117	6.5
146.07083	1.2
146.10855	1.6
147.06654	2.1
147.11662	12.0
148.08650	0.9
158.07104	0.9
159.07901	1.7
159.11725	0.8
160.05174	0.6
160.12460	4.4
173.13228	3.0
174.09000	0.7
175.07463	2.1
175.09781	41.8
175.14806	100.0
176.15245	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05510	9.7
57.07063	1.3
60.05647	3.5
65.03944	1.1
65.51673	1.0
67.05492	3.9
69.07063	23.4
70.06573	5.3
79.05482	5.4
81.07050	11.7
83.08607	5.2
91.05475	19.3
93.07028	5.9
95.08614	8.0
98.98464	16.9
103.05392	1.3
105.07024	34.1
106.80314	1.0
107.08592	7.7
115.05441	1.6
116.07059	1.4
116.94645	1.0
117.07014	4.1
119.04951	3.0
119.08572	95.0
119.40432	0.9
120.08894	1.5
121.10147	2.8
131.08575	7.4
133.10120	90.8
134.10397	1.2
145.10109	6.5
146.10847	1.5
147.04387	1.6
147.11681	12.1
156.24196	1.0
159.11772	1.4
160.05141	2.4
160.12498	4.9
173.13264	3.5
175.07500	5.2
175.09802	11.6
175.14812	100.0
176.07077	1.2
176.15192	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03973	0.7
55.05507	10.1
55.21984	0.6
57.07076	1.6
57.53831	0.6
57.93570	1.1
59.04992	0.9
60.05646	12.3
67.05500	3.3
69.07064	24.5
70.06588	33.1
71.05006	1.3
72.08150	2.7
79.05499	5.0
79.29483	0.6
81.07054	7.1
81.33232	0.7
83.08621	4.4
87.04481	0.8
91.05474	14.5
93.07044	5.3
95.04979	1.4
95.08603	7.1
98.98461	62.8
103.05448	2.0
104.06232	0.8
105.07024	30.3
107.08603	6.6
112.08714	1.7
116.07075	9.1
116.97224	5.1
116.98676	1.0
116.99522	1.9
117.06998	3.9
119.08573	96.6
120.08824	1.0
121.10150	3.4
128.06201	1.1
129.07002	2.6
130.06532	3.1
130.09749	3.8
131.08542	5.5
131.99571	1.5
132.09329	1.0
133.10123	75.7
134.10518	2.1
134.99641	0.9
135.11684	1.6
145.10124	7.6
146.10883	1.2
147.04416	0.9
147.08040	1.9
147.11665	13.6
147.57555	0.8
151.94017	1.1
151.97015	0.9
152.96893	2.9
157.06464	1.2
157.07689	0.8
158.09201	2.3
160.05203	2.0
160.08823	0.8
160.12497	4.8
173.13251	2.8
175.07434	9.2
175.11877	6.6
175.14809	100.0
175.98445	1.1
176.15158	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.05505	11.0
56.01385	2.6
57.07066	1.4
57.95575	0.6
60.05652	4.5
60.05933	0.9
67.05495	5.3
69.07060	16.4
69.45609	1.3
69.45995	1.3
70.06590	12.0
72.08150	1.1
79.05486	5.4
81.07051	17.5
83.08614	4.5
84.04495	8.5
84.98971	0.6
86.20552	0.5
89.03939	0.6
91.05467	20.7
93.07036	8.0
95.04977	1.2
95.08598	12.5
98.98460	23.5
103.05457	1.3
105.07021	55.6
106.07352	1.4
107.08591	9.3
109.10119	1.4
112.08705	0.7
115.05418	2.0
116.07063	3.3
116.97230	0.8
117.06994	5.5
118.06520	0.9
119.04902	1.9
119.08568	97.0
120.08940	2.1
121.10128	2.1
129.06995	1.9
130.06529	2.4
130.09743	1.8
131.07655	1.0
131.08554	11.8
132.05617	0.7
133.06441	1.5
133.10115	62.4
134.10461	1.4
143.04967	0.7
145.06073	5.2
145.10126	5.1
146.10889	3.5
147.04405	4.2
147.06511	0.6
147.08025	1.1
147.11674	19.6
157.10095	1.6
158.06003	1.2
158.09146	0.6
159.07895	0.7
160.05136	2.3
160.12482	1.7
172.39598	0.7
173.13226	3.4
175.03941	1.1
175.07466	3.1
175.09866	11.2
175.11322	3.4
175.14804	100.0
176.15079	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04740	1.2
55.05512	12.2
60.05631	5.1
60.57045	1.3
60.82339	1.3
62.89877	1.2
65.03935	10.5
67.05503	1.9
69.07069	19.9
70.06590	17.6
77.03955	1.7
79.05498	6.4
81.07060	15.0
83.08603	4.4
83.41033	1.2
89.03906	5.9
91.05480	86.8
92.05811	1.6
93.07047	5.3
95.04938	2.5
95.08607	11.1
96.73229	1.2
98.98463	54.1
101.03890	2.0
103.05478	2.6
104.06209	1.7
105.06349	2.7
105.07027	40.7
107.08576	8.2
115.05457	17.7
116.07058	4.5
117.07049	8.4
119.04942	37.0
119.08578	100.0
120.66403	1.2
121.10136	2.3
124.47758	1.4
129.04515	2.1
129.06969	3.9
130.09769	3.1
131.08556	7.4
131.11067	1.2
132.02052	1.6
132.05685	3.9
133.10126	89.9
134.10439	1.9
143.04903	3.8
144.05675	4.1
145.06424	2.0
145.10095	7.6
146.10881	1.9
147.04411	21.0
147.06676	1.5
147.08034	3.7
147.11681	14.4
150.03081	1.8
157.03973	4.5
158.07198	1.7
158.09265	2.5
160.05182	27.4
160.12485	3.0
173.13298	1.8
174.99905	1.3
175.03909	9.3
175.05200	1.5
175.07530	38.3
175.09816	24.6
175.11180	1.9
175.14810	98.6
176.15167	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.90189	0.7
53.03928	1.1
54.96280	0.8
55.05261	0.9
55.05510	13.7
56.01392	30.3
56.05032	0.9
57.93544	0.8
59.01104	0.8
60.05642	6.7
65.03933	1.5
67.05507	4.4
69.07063	17.0
70.06585	18.0
70.13411	0.9
70.13756	1.7
79.05490	5.7
81.07047	22.6
83.08598	4.4
84.04497	99.2
84.08155	0.8
85.04803	1.9
91.05474	26.8
91.06056	1.3
93.07030	9.3
95.04955	1.6
95.08604	13.4
98.98460	30.5
103.05460	1.2
104.06257	1.2
105.07023	64.6
106.07342	1.5
107.08577	9.5
109.10143	1.0
115.05474	2.3
116.07069	5.5
116.97211	1.8
117.07004	5.6
119.04910	1.8
119.08569	98.6
120.08941	2.3
121.09209	0.8
121.10136	2.5
127.05093	4.1
129.06982	3.6
130.06520	1.5
130.09749	2.5
131.08562	12.2
131.99611	0.8
132.09351	1.2
133.02852	6.9
133.10120	69.2
134.10489	1.3
145.06064	56.9
145.10110	5.6
146.10899	4.1
147.04433	1.6
147.08055	1.7
147.09190	0.9
147.10564	1.7
147.11679	21.5
152.96945	1.5
158.09274	1.5
159.48035	0.8
160.05179	1.7
160.12471	2.1
161.03755	0.9
165.62428	0.8
173.13289	2.3
175.05348	8.4
175.07518	4.4
175.14807	100.0
176.07051	11.1
176.15120	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	176.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05647	17.0
63.32093	1.3
70.06584	45.4
70.69726	2.5
71.06922	3.9
72.22430	1.3
92.63504	1.2
116.07094	11.5
130.09750	4.1
132.02104	100.0
158.09222	4.0
175.11894	8.7
176.01086	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03484	0.9
55.01869	66.7
56.01394	13.0
56.05024	2.0
56.96559	1.3
57.93557	2.9
58.02968	1.9
58.99596	1.1
60.05644	1.9
61.01142	4.3
69.43774	2.5
70.06579	6.0
71.06927	1.9
73.01139	6.7
74.00629	0.9
74.02435	81.1
75.02698	100.0
75.94614	1.5
76.03999	2.6
79.37873	0.8
84.04499	46.0
86.02428	3.3
87.01404	1.0
88.02193	3.8
89.03007	1.4
91.02183	4.8
93.95662	1.4
94.06585	0.8
98.96175	1.2
98.97569	9.6
98.98456	6.4
101.00597	14.1
102.03759	15.2
102.04382	1.5
102.05511	1.2
105.84160	0.7
106.06532	0.8
112.03960	34.6
116.97224	22.7
116.98580	9.5
117.03333	1.0
117.07432	0.9
119.01696	1.1
121.03172	3.6
130.04994	52.7
130.06439	7.2
131.05417	1.1
131.06830	1.0
131.99519	5.4
132.02133	2.7
134.02716	2.8
134.95879	2.4
134.99658	7.1
145.02856	0.9
148.01654	0.8
148.04257	7.3
148.07605	1.2
152.96909	8.3
153.00621	1.0
157.97433	1.0
158.06023	2.7
158.08040	0.8
163.37482	0.9
170.98021	0.9
175.98534	6.8
176.03767	6.8
176.05225	0.9
176.07054	3.0
176.12119	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	0.8
55.01868	68.1
55.15294	0.7
56.01393	13.0
56.02199	0.7
56.05026	1.7
57.93551	0.7
57.98794	0.6
58.02954	1.5
58.99584	1.5
60.05638	0.8
61.01140	4.2
61.85924	0.5
69.65043	1.3
70.06582	1.7
71.06924	0.8
73.01135	8.0
74.02436	80.1
75.02699	100.0
75.94621	0.8
76.03019	0.9
76.03999	1.9
82.02959	1.2
84.04496	46.6
85.04830	0.5
86.02431	2.8
87.01427	0.8
88.02205	3.6
88.03979	1.3
88.86334	0.5
89.03018	1.3
89.03889	0.5
91.02174	5.7
98.23458	0.7
98.97578	4.9
98.98475	2.1
101.00597	15.2
102.03757	16.2
102.05540	0.7
108.57291	0.6
112.03956	36.4
116.97209	6.3
116.98547	2.9
119.01621	1.5
121.03199	1.0
130.04993	49.0
130.06557	2.1
131.05415	0.7
131.99580	0.8
132.02055	0.5
134.02705	3.2
134.95871	1.3
134.99638	1.2
148.04259	5.8
150.20558	0.6
152.96938	2.2
158.06018	0.9
175.98564	1.6
176.03758	5.5
176.07005	1.1
197.18407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04424	1.9
55.01869	68.7
56.01397	10.6
56.05030	2.6
56.96554	7.9
57.93564	14.0
58.06575	1.8
60.05646	21.5
61.01163	3.5
61.05368	2.7
70.06588	51.8
70.98598	3.4
71.04979	2.9
71.06917	23.5
72.08156	3.9
73.01133	7.2
74.02017	4.8
74.02435	74.8
75.02699	100.0
75.94610	6.1
76.04006	4.5
80.05012	2.2
81.07046	3.8
84.04500	46.3
84.08125	3.4
86.02399	4.1
88.02219	4.6
91.02189	4.2
91.05466	3.5
93.95639	5.6
94.06546	5.8
98.96187	3.6
98.97589	42.7
98.98467	24.2
101.00594	13.6
102.03773	14.0
106.04864	2.2
106.06554	9.1
107.08607	2.2
112.03962	35.1
116.07069	12.1
116.97227	83.1
116.98579	41.5
116.99406	3.6
117.07442	8.0
119.07297	4.2
119.08562	2.2
120.08115	6.7
130.04997	53.2
130.06505	43.3
130.09775	5.0
131.06885	3.0
131.10086	4.1
131.99529	14.7
132.02107	31.7
132.04427	18.3
132.08090	2.8
134.02693	2.7
134.95903	7.7
134.99649	34.1
146.06009	3.1
148.04260	6.3
148.07570	11.3
148.09894	2.1
149.02328	2.8
152.96915	36.3
153.00710	7.0
157.97530	3.2
158.05898	2.9
158.08066	3.0
158.09477	2.5
159.06534	2.4
159.09624	2.4
165.21713	2.0
170.97986	7.0
175.11900	5.4
175.98521	29.0
176.01080	5.7
176.03654	5.7
176.07013	18.2
176.10576	3.3
176.12157	5.7
177.06554	3.5
177.10301	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.90934	0.3
53.03943	0.7
55.01864	0.6
62.01587	0.4
63.02361	1.7
65.03938	1.1
68.60915	0.4
69.75687	0.9
69.76041	0.5
77.03920	0.6
78.04712	3.8
79.05486	0.8
81.03397	0.9
81.07033	0.4
89.03916	49.8
90.04276	0.8
91.05471	4.3
93.07047	1.1
95.04963	1.9
98.23381	0.6
98.98458	2.5
103.05460	1.6
105.03402	4.5
105.04501	0.6
105.07005	0.4
106.04179	6.2
107.04955	0.7
107.08604	0.5
117.03377	83.0
117.07013	0.9
118.03696	2.0
119.04926	0.7
121.02869	1.0
121.06509	1.7
124.05173	0.8
129.04408	0.4
131.04922	0.4
131.08594	0.4
134.03624	10.0
134.10452	0.3
135.04428	5.2
145.02843	100.0
146.03149	2.7
147.04408	0.5
149.02299	0.7
149.05975	25.7
150.06342	0.9
158.06070	0.5
159.11644	0.3
162.03146	1.5
163.03928	1.8
167.03368	0.4
167.42838	0.3
177.05466	25.4
177.08978	2.9
177.12679	0.6
186.05455	0.9
193.39810	0.3
195.02905	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.81421	0.5
53.03926	0.6
55.01867	1.1
63.02371	1.4
65.03929	0.5
67.05478	0.7
69.07045	1.2
69.26073	0.5
69.30471	2.7
69.35187	0.6
77.03927	0.6
78.04711	4.3
79.05495	1.8
81.07043	1.2
89.03910	52.0
91.05476	7.1
93.07010	3.1
95.04958	2.4
95.08613	1.4
98.23491	1.1
98.98455	11.7
103.05468	3.2
105.03410	0.8
105.04540	0.7
105.07030	2.0
106.04166	8.0
107.04944	1.0
107.08610	1.9
109.06480	0.6
115.05459	0.6
117.03368	76.1
117.07009	1.9
118.03687	1.3
119.04925	1.2
121.02834	0.7
121.06512	3.8
121.10143	2.2
124.05212	1.1
129.04439	0.7
131.04871	0.9
131.08557	2.3
131.78117	0.7
133.06537	0.8
133.10123	0.9
134.03621	11.0
135.04422	8.3
135.08035	1.2
135.11671	1.0
145.02835	100.0
146.03195	2.0
147.04312	0.6
147.59908	0.5
149.02335	1.4
149.05968	31.2
149.09564	1.3
158.06030	0.6
158.67940	0.6
159.08061	1.1
159.11700	1.0
162.03130	4.7
162.06766	0.8
163.03856	2.9
177.05446	30.0
177.08971	8.5
177.10294	1.8
177.12746	2.5
177.16304	0.8
186.05484	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03941	0.4
60.00273	0.3
63.02092	0.3
63.02383	1.5
70.68062	0.6
75.75388	0.4
77.03938	0.6
78.04722	3.3
79.05499	0.9
89.03913	43.6
90.04243	0.9
91.05471	4.2
93.07047	0.9
95.04964	1.3
98.98479	2.0
103.05474	2.0
105.03392	0.6
105.04512	0.7
105.07060	0.4
106.04167	4.9
107.08604	0.6
113.93707	0.3
115.05453	1.2
116.06290	0.4
117.03374	76.5
117.07018	2.9
118.03710	1.6
119.04935	0.9
121.06509	1.9
124.05202	0.7
129.04498	0.6
131.04939	0.4
131.08537	0.5
133.06465	0.6
134.03632	9.1
134.07228	0.9
135.04427	4.7
135.08128	0.5
135.46092	0.3
144.05699	0.5
145.02843	100.0
146.03160	2.6
147.04402	0.5
149.05975	23.6
149.13428	0.4
150.06367	0.6
162.03108	2.0
162.06737	2.9
163.03912	1.7
175.47209	0.3
177.05469	27.3
177.09088	23.2
177.12566	0.5
178.05812	0.6
178.09515	0.5
186.05553	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
57.75245	0.4
62.01578	0.4
63.02359	1.9
69.71470	1.1
77.03913	0.6
78.04707	3.2
78.83419	0.3
79.05487	0.3
82.58772	0.3
89.03912	51.6
90.04266	0.8
91.05472	3.2
93.07060	0.5
95.04952	1.2
98.22813	0.5
103.05472	1.8
104.87444	0.3
105.03391	0.8
105.04507	0.5
106.04175	5.1
117.03373	84.5
118.03696	1.7
119.04958	0.5
121.06518	1.1
129.04491	0.3
131.04886	0.4
134.02603	0.4
134.03630	10.5
135.04407	5.3
145.02840	100.0
146.03200	2.2
149.05972	26.2
150.06329	0.5
158.06027	0.3
162.03091	1.3
163.03860	2.0
177.05461	23.8
178.05858	0.5
186.05481	1.0
189.47461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
63.02370	1.3
69.77790	1.5
77.03918	0.4
78.04723	3.0
79.05482	1.1
81.07043	2.3
89.03910	50.3
91.05484	4.2
92.98758	0.4
93.07034	1.4
94.06558	0.5
94.95365	0.4
95.04952	1.6
98.97595	0.6
98.97857	0.6
98.98463	4.3
103.05478	2.3
105.03386	0.5
105.04491	1.0
105.07018	0.8
106.04160	3.7
107.04951	0.8
107.08603	1.0
117.03370	79.5
117.06984	0.9
118.03708	1.5
119.04951	0.8
120.08912	0.5
121.06495	1.2
121.10186	0.5
124.05198	1.0
129.04492	0.5
131.04895	1.0
131.08588	1.1
134.03624	9.9
135.04413	5.7
135.08017	0.6
140.39873	0.4
145.02834	100.0
146.03198	2.2
149.02313	0.7
149.05971	23.6
152.41571	0.4
159.11858	0.4
162.03111	2.0
163.03894	1.8
176.15129	0.5
177.05450	26.7
177.08849	0.8
177.12669	1.1
178.05853	0.6
178.08647	0.6
186.05446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.05512	2.0
63.02382	2.0
67.05506	1.6
69.07071	2.1
69.38662	1.5
69.39056	0.9
78.04705	4.0
79.05487	3.5
81.07053	3.2
83.08607	1.2
89.03911	56.4
90.04251	0.8
91.05474	6.2
93.07040	6.2
95.04967	2.2
95.08595	4.3
98.98470	5.3
103.05449	3.1
105.03355	0.7
105.04508	1.0
105.07016	1.2
106.04182	5.4
107.04979	0.7
107.08597	6.0
109.10162	1.3
116.51337	0.4
117.03371	90.5
118.03735	1.8
118.06539	1.0
119.08565	0.5
121.06506	1.5
121.10139	7.8
122.91482	0.5
124.05157	1.4
131.08571	0.9
133.10129	0.7
134.03624	11.5
135.04428	6.7
135.11674	1.2
145.02838	100.0
146.03151	2.5
149.02357	0.6
149.05972	27.3
149.07167	1.4
159.11673	0.8
162.03136	2.3
163.03888	2.0
176.14325	1.8
177.05450	23.3
177.10219	1.7
177.12733	2.1
177.16368	5.3
178.05801	0.6
178.08618	0.6
186.05493	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	177.091
Annotation	5,6,7,8-Tetrahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
51.79311	0.6
53.03937	2.2
55.01863	3.0
55.05497	2.9
64.07030	0.6
65.03936	0.8
67.05483	1.0
69.03417	3.0
69.44849	1.1
69.45261	2.5
71.30132	0.6
74.87212	0.7
77.03927	3.3
78.04743	0.9
79.05492	20.4
80.29722	0.6
81.07040	0.8
83.04977	1.1
89.03914	8.2
91.05472	26.7
93.07030	10.0
95.04952	6.6
95.08587	1.2
98.98456	3.5
103.05452	2.4
105.01854	0.8
105.04492	1.7
105.07024	6.2
106.04156	1.5
107.04942	26.4
107.08585	4.5
109.06509	2.2
115.05409	3.3
116.06236	6.9
117.03374	11.5
117.07008	1.0
119.04906	0.7
119.08562	1.4
121.06497	14.5
121.10136	7.6
123.04414	2.2
123.08035	0.8
124.30647	0.7
129.06990	4.3
131.04913	1.4
131.08553	29.3
133.06458	1.7
133.07556	0.6
134.03641	1.2
135.04405	39.7
135.08026	3.0
136.04799	0.9
137.05983	1.0
141.06990	2.4
144.05675	5.3
145.02827	14.6
149.05972	10.0
149.09604	11.8
153.05440	12.0
158.54857	0.8
159.08046	19.7
160.08330	1.4
161.05965	0.9
162.06732	2.8
169.07541	0.8
172.78630	0.8
177.05791	3.4
177.09094	100.0
178.09500	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	177.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.6
53.03923	1.4
55.01861	4.1
55.05499	2.0
57.03420	0.8
60.77288	0.5
60.98968	0.5
63.37510	0.6
65.03934	0.7
65.77682	0.5
67.05479	1.2
69.03421	2.4
69.07037	0.5
69.55418	1.6
77.03906	2.2
78.04705	0.6
79.05043	1.0
79.05482	18.7
81.07037	1.5
83.04964	1.1
89.03897	7.7
91.05473	24.1
93.07043	8.8
95.04949	5.6
95.08601	0.9
98.22743	1.1
98.98454	3.6
103.05444	1.6
105.04516	2.8
105.07023	6.5
106.04168	1.2
106.07803	0.7
107.04943	26.5
107.08584	5.9
109.06506	2.3
109.10143	0.6
115.05469	2.9
116.06229	6.9
117.03373	13.2
117.06998	0.7
119.04914	0.8
119.06013	0.5
119.08589	1.7
120.44163	0.5
121.02849	0.7
121.06499	13.8
121.10117	7.5
123.04419	2.9
123.08044	1.1
129.06976	4.2
131.04903	1.1
131.08553	32.3
132.08862	0.9
133.06477	1.2
134.03603	1.7
134.07249	0.6
135.04398	41.6
135.08037	3.5
136.04770	0.7
137.06046	0.8
141.07001	3.1
142.49785	0.5
144.05699	5.5
145.02829	15.7
145.03940	1.1
145.06483	0.6
149.05966	12.0
149.09592	13.6
153.05450	13.0
159.08032	22.2
161.05934	0.8
162.03117	0.9
162.06734	3.6
169.07571	1.0
177.05621	5.1
177.09085	100.0
177.16406	1.2
178.09448	2.3
196.04396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.99498	1.6
53.03939	2.1
55.01857	7.7
55.05500	4.6
56.79087	1.9
56.96553	2.5
57.03439	2.7
58.06702	1.6
67.05504	25.9
69.07046	5.7
70.68037	2.9
79.05492	41.0
81.03403	4.2
81.07053	41.9
83.04962	7.1
83.08598	2.5
85.06507	2.0
85.67115	2.0
85.67654	1.7
88.30519	1.8
89.03912	1.8
91.05476	44.0
93.07040	54.4
95.04970	15.0
95.08600	9.4
97.06523	12.8
98.91431	1.7
98.98464	17.0
103.05426	2.0
105.04506	3.2
105.07025	23.9
107.01624	4.0
107.04939	4.5
107.08597	21.2
109.06508	5.5
111.08086	3.3
117.03374	3.2
117.07020	26.4
119.08575	5.5
121.06491	5.6
121.10148	13.6
122.25302	1.4
129.07057	2.6
131.08563	29.6
133.10129	41.4
135.08026	6.0
135.11685	13.8
145.02805	6.1
148.59026	1.6
149.02388	2.3
149.05949	4.2
149.09641	4.1
149.13251	17.6
159.11682	55.5
177.05487	5.1
177.08983	3.1
177.10268	6.8
177.12732	100.0
178.08600	2.9
178.13049	3.5
182.96010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03928	1.5
54.86361	0.7
55.01862	5.4
55.05511	4.0
56.96551	1.4
57.03414	1.8
57.07051	0.9
65.03922	1.6
67.05499	28.4
69.07059	8.2
71.42149	0.7
72.71764	0.7
77.03918	1.3
79.05486	35.1
81.03399	2.8
81.07050	41.1
83.04967	6.5
83.08602	4.8
85.06538	1.3
89.03913	2.7
91.05474	38.4
93.07037	55.1
94.07370	1.2
95.04968	11.3
95.08604	8.4
97.06521	11.5
98.98463	8.9
99.08063	1.6
99.85795	0.7
103.05486	1.3
105.04501	2.6
105.07021	24.9
107.04919	3.0
107.08582	20.4
109.06521	4.4
109.10152	1.0
110.73966	0.7
111.08092	3.4
115.05456	1.9
117.03423	3.4
117.04128	0.7
117.07008	28.5
118.96725	0.7
119.08592	6.2
121.06490	3.8
121.10135	10.6
123.08005	1.3
129.06985	1.9
130.07759	1.0
131.08559	29.3
133.10118	44.5
135.08046	8.2
135.11678	10.6
136.35678	0.8
137.87505	0.8
144.09299	1.8
145.02837	5.2
149.02301	1.1
149.05972	1.7
149.07065	0.7
149.09595	4.6
149.12108	1.3
149.13245	16.1
157.10135	1.4
159.11673	51.4
160.12019	1.2
177.05478	2.5
177.10213	3.6
177.12724	100.0
178.13052	2.4
190.95157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	1.5
55.01869	5.0
55.05502	4.4
55.93087	0.7
56.49628	0.7
57.03425	2.3
65.03925	1.7
67.05500	27.4
69.03415	1.1
69.07066	5.6
71.04982	0.7
77.03922	2.0
79.05489	32.4
81.03422	4.3
81.07053	35.4
83.04974	4.4
83.08630	4.4
85.06525	1.1
89.03898	3.6
91.05479	39.2
92.05782	0.7
93.07042	50.5
94.07347	1.0
95.04406	1.2
95.04968	12.1
95.08598	8.8
97.06525	9.6
98.98440	2.4
99.08111	1.3
103.05485	0.9
105.04552	1.4
105.07024	20.5
106.04152	0.8
107.04974	4.3
107.08594	18.7
109.06506	5.1
111.08072	3.7
115.05445	1.2
117.03369	4.5
117.07019	21.8
119.08569	5.0
121.06509	3.6
121.10144	9.5
128.06281	0.8
129.06982	1.7
130.07788	1.3
131.08562	27.9
133.10123	31.4
134.03688	1.1
135.08058	8.4
135.11678	8.3
144.09343	1.5
145.02815	5.7
147.11664	0.8
149.05934	2.5
149.09625	3.7
149.13248	13.7
157.10182	0.9
159.11690	43.4
160.12007	1.9
177.05499	2.5
177.12738	100.0
178.13066	1.7
195.43430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01869	5.0
55.05502	4.4
55.93087	0.7
56.49628	0.7
57.03425	2.3
65.03925	1.7
67.05500	27.4
69.03415	1.1
69.07066	5.6
71.04982	0.7
77.03922	2.0
79.05489	32.4
81.03422	4.3
81.07053	35.4
83.04974	4.4
83.08630	4.4
85.06525	1.1
89.03898	3.6
91.05479	39.2
92.05782	0.7
93.07042	50.5
94.07347	1.0
95.04406	1.2
95.04968	12.1
95.08598	8.8
97.06525	9.6
98.98440	2.4
99.08111	1.3
103.05485	0.9
105.04552	1.4
105.07024	20.5
106.04152	0.8
107.04974	4.3
107.08594	18.7
109.06506	5.1
111.08072	3.7
115.05445	1.2
117.03369	4.5
117.07019	21.8
119.08569	5.0
121.06509	3.6
121.10144	9.5
128.06281	0.8
129.06982	1.7
130.07788	1.3
131.08562	27.9
133.10123	31.4
134.03688	1.1
135.08058	8.4
135.11678	8.3
144.09343	1.5
145.02815	5.7
147.11664	0.8
149.05934	2.5
149.09625	3.7
149.13248	13.7
157.10182	0.9
159.11690	43.4
160.12007	1.9
177.05499	2.5
177.12738	100.0
178.13066	1.7
195.43430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03939	1.7
55.01866	5.9
55.05510	4.4
57.03421	2.4
61.41282	0.7
65.03947	1.1
66.07408	0.6
67.05501	21.7
69.03420	1.2
69.07066	6.0
71.92098	0.6
77.03916	1.0
79.05488	32.2
81.03413	5.7
81.07052	33.5
83.04972	4.5
83.08607	2.9
85.06528	0.8
88.66251	0.7
89.03907	2.4
91.05477	28.4
93.07040	47.6
94.07365	0.9
95.04415	1.1
95.04968	13.0
95.08593	7.8
97.06524	9.0
98.98462	4.8
99.08053	1.0
105.04496	1.6
105.07024	20.4
105.07737	1.3
107.04926	4.0
107.08584	19.6
109.06514	5.2
111.08086	4.2
111.08720	0.7
115.05400	1.4
116.06212	0.9
117.03378	3.2
117.06177	1.2
117.07010	21.9
119.08602	4.8
119.60429	0.7
121.06488	4.4
121.10128	9.9
122.30022	0.8
123.08040	1.6
129.06989	1.5
130.07730	0.9
131.08556	28.5
133.10118	31.8
134.10458	1.1
135.08028	9.0
135.11688	10.0
144.09334	1.5
145.02876	4.2
149.05954	1.1
149.09615	4.0
149.13252	14.8
157.10152	1.2
159.11682	46.2
160.11986	1.2
177.05484	1.7
177.12729	100.0
178.13043	2.7
192.32318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03940	0.9
55.05266	1.2
55.05508	17.9
57.07048	2.9
64.33582	1.0
67.05495	15.2
69.07061	28.1
77.03931	1.0
79.05482	29.7
81.07048	36.3
83.08608	16.6
83.89131	1.0
91.05464	10.1
93.07036	58.7
93.33196	0.9
95.04964	3.8
95.08598	77.1
96.08916	1.0
97.10185	6.4
98.98459	2.3
105.07014	8.6
107.08582	79.8
108.08917	1.6
109.06475	2.0
109.10147	21.3
119.06082	1.2
119.08558	3.3
121.10132	100.0
122.10435	2.3
124.66451	0.9
126.48193	0.9
133.10110	2.4
135.11682	26.6
148.12376	2.0
149.13202	6.7
159.11609	1.3
169.12895	1.0
177.10133	1.7
177.12822	3.4
177.16365	83.2
178.16682	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03934	1.7
55.05506	17.2
57.07056	2.9
67.05495	14.8
68.76998	0.8
69.07060	25.3
69.14593	4.3
71.08631	1.0
77.03893	0.9
79.05043	1.4
79.05486	26.8
81.03426	1.0
81.07047	35.8
81.13455	0.8
83.08604	16.4
84.18191	0.9
88.02191	1.7
91.05459	12.4
93.07035	66.2
94.07336	0.9
95.04953	3.0
95.08595	76.2
96.08912	0.8
97.10159	5.9
98.98473	3.9
105.07022	9.4
107.04942	1.9
107.08582	78.1
108.08901	1.3
109.06496	2.4
109.10137	20.6
109.10880	1.1
117.07055	1.1
119.08552	4.7
121.10131	100.0
121.36826	0.8
122.10442	1.3
131.08545	2.3
133.10106	3.5
135.11678	24.6
149.13219	6.3
159.08000	1.1
159.11623	2.2
177.05418	1.7
177.10205	3.1
177.12831	6.0
177.16365	85.2
178.16751	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	178.1226
Annotation	Valerianine
Peak:m/z	Relative Intensity
56.96564	1.5
60.60904	0.3
61.72358	0.3
67.98691	0.4
68.95216	0.3
69.03409	0.4
71.42557	0.3
73.02934	0.3
74.93159	1.8
77.94125	0.3
79.05505	0.4
80.05009	0.6
81.03403	0.4
81.07023	0.4
85.02901	0.7
88.02222	0.8
91.05481	0.5
92.04962	0.3
93.05768	0.4
93.07025	0.5
97.02893	0.5
98.97567	0.4
105.07038	0.8
107.08602	0.7
115.05446	0.6
117.07005	1.0
118.06523	9.7
118.92063	0.6
118.96764	3.6
119.07317	8.6
124.92591	0.3
130.06512	0.4
130.39737	0.3
132.08095	1.5
133.02902	0.3
133.99138	0.5
134.09639	60.9
135.09966	1.0
136.93106	0.5
150.09126	0.5
154.94150	1.6
154.96460	1.2
160.11208	0.9
162.09134	2.3
163.09921	0.7
172.95378	2.8
177.97989	0.5
178.05016	1.2
178.12244	100.0
179.06651	0.3
179.12627	2.3
190.96242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	4.6
67.05490	7.4
69.03423	6.6
69.61333	13.5
70.06593	9.5
71.06908	4.6
74.06075	4.9
78.95622	16.4
82.06576	4.5
84.08144	8.2
85.02905	6.2
87.04469	9.9
91.05440	4.4
94.06566	4.0
94.93002	4.4
95.06895	4.6
96.04476	5.1
115.57241	3.8
119.01927	9.5
133.02516	6.5
133.03508	7.7
134.01945	34.5
134.05975	5.7
135.02271	100.0
137.06834	8.2
142.08624	6.5
156.05142	5.5
163.13774	4.1
178.08516	4.2
178.14180	4.9
178.95030	4.6
178.99821	3.6
179.01178	22.8
179.03362	8.8
179.08075	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	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14423	0.6
67.05470	0.6
69.14263	3.6
82.99828	0.5
87.56111	0.5
91.04771	0.5
98.23503	1.1
100.02481	1.5
101.00875	18.3
102.00996	0.7
107.51739	0.5
109.10159	0.5
115.02422	0.7
118.03510	0.7
119.01913	100.0
120.01969	4.1
121.02402	0.5
133.03447	4.8
133.07668	0.5
134.03024	1.4
137.02953	36.5
138.03079	1.3
142.03497	1.5
151.04514	1.8
156.05008	2.7
156.97440	0.9
161.02951	18.7
163.32433	0.5
174.03139	0.7
174.06227	1.0
174.98639	0.8
175.55925	0.6
179.00711	1.6
179.04013	27.1
179.06396	1.3
179.08206	0.7
179.10606	0.7
179.56294	0.5
180.04146	0.9
180.06601	0.7
184.04671	0.5
186.02036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30462	0.5
52.13939	0.4
61.01050	0.4
69.18264	1.9
82.99840	1.6
91.05487	0.5
97.55897	0.4
100.02477	1.3
101.00878	21.8
101.55779	0.4
102.00959	0.9
107.75591	0.5
109.64314	0.5
115.02444	0.7
118.03584	0.7
119.01918	100.0
120.01994	4.1
133.03464	4.2
133.10020	0.5
134.02962	1.2
137.02959	31.5
138.03056	1.2
142.03502	0.8
143.03679	0.4
151.04494	1.8
156.05029	3.1
161.02957	19.1
161.04431	0.9
162.03134	0.9
174.06137	0.9
179.04013	28.2
179.08177	1.0
180.04192	1.0
181.20879	0.6
184.04729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	2-Oxo-4-phenylbutyric acid
Peak:m/z	Relative Intensity
51.80391	0.8
53.03928	1.0
55.01863	3.1
55.05488	0.8
67.05490	2.8
69.03429	1.2
77.03926	2.8
79.05489	16.8
81.07028	0.9
91.05459	7.0
95.04964	5.6
95.08612	6.5
103.05467	13.7
105.04535	1.5
105.07026	100.0
106.07360	2.9
108.05716	1.3
109.06499	1.5
115.05453	35.0
117.06237	0.9
119.04911	1.4
123.04435	4.8
123.08091	9.6
124.01787	1.2
131.04913	4.1
133.06482	67.0
134.06804	0.9
143.04916	20.9
147.04384	1.6
149.05962	2.5
151.07533	100.0
151.77335	0.9
152.07864	2.0
161.05971	33.0
162.06339	1.5
164.04681	1.2
179.07027	45.9
180.07384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01870	38.4
55.05500	0.9
56.02174	0.9
57.03406	1.0
58.51229	0.5
62.52860	0.6
65.03941	4.1
67.05492	1.0
69.03401	0.9
75.49018	0.6
77.03928	0.8
79.05482	5.8
80.06284	1.3
81.07057	7.2
82.70240	0.6
89.03886	1.1
90.04670	1.6
91.05476	67.9
92.05788	0.9
93.07053	0.9
94.04165	1.0
95.04971	5.8
95.08579	0.9
102.66771	0.6
103.05466	5.7
105.03341	0.6
105.07025	24.2
106.07350	0.8
107.04965	3.2
107.08621	0.9
108.05704	1.6
109.06495	2.6
109.10122	1.7
115.05454	4.6
117.03349	1.1
118.04167	8.1
119.04936	72.7
119.08553	1.3
120.05230	1.3
121.02842	0.7
121.06512	1.1
122.03641	0.7
123.04388	4.1
123.08104	0.9
131.04909	1.4
133.02797	0.8
133.06479	25.9
133.07503	1.2
133.10133	3.9
134.06827	0.8
135.04401	3.0
136.05183	11.1
137.05974	22.4
137.09578	2.2
143.08557	0.8
146.03624	16.2
147.04401	100.0
148.04747	2.4
149.06001	1.2
151.03867	0.7
151.07581	4.0
161.05968	53.4
161.09511	3.0
162.06299	1.7
163.03909	1.3
164.04782	3.7
170.16685	0.5
179.03459	3.0
179.07030	38.1
179.10602	2.6
179.14215	1.0
180.07341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03931	0.6
55.01870	38.4
55.05500	0.9
56.02174	0.9
57.03406	1.0
58.51229	0.5
62.52860	0.6
65.03941	4.1
67.05492	1.0
69.03401	0.9
75.49018	0.6
77.03928	0.8
79.05482	5.8
80.06284	1.3
81.07057	7.2
82.70240	0.6
89.03886	1.1
90.04670	1.6
91.05476	67.9
92.05788	0.9
93.07053	0.9
94.04165	1.0
95.04971	5.8
95.08579	0.9
102.66771	0.6
103.05466	5.7
105.03341	0.6
105.07025	24.2
106.07350	0.8
107.04965	3.2
107.08621	0.9
108.05704	1.6
109.06495	2.6
109.10122	1.7
115.05454	4.6
117.03349	1.1
118.04167	8.1
119.04936	72.7
119.08553	1.3
120.05230	1.3
121.02842	0.7
121.06512	1.1
122.03641	0.7
123.04388	4.1
123.08104	0.9
131.04909	1.4
133.02797	0.8
133.06479	25.9
133.07503	1.2
133.10133	3.9
134.06827	0.8
135.04401	3.0
136.05183	11.1
137.05974	22.4
137.09578	2.2
143.08557	0.8
146.03624	16.2
147.04401	100.0
148.04747	2.4
149.06001	1.2
151.03867	0.7
151.07581	4.0
161.05968	53.4
161.09511	3.0
162.06299	1.7
163.03909	1.3
164.04782	3.7
170.16685	0.5
179.03459	3.0
179.07030	38.1
179.10602	2.6
179.14215	1.0
180.07341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45264	4.2
62.98251	16.5
65.01180	7.8
69.66636	11.6
78.95618	17.7
82.03838	2.8
84.47909	3.5
88.99796	6.5
91.05480	6.7
101.00862	3.4
105.07025	10.1
118.97245	7.4
119.01917	22.5
119.04930	16.7
120.04130	4.8
131.66031	3.2
133.03461	4.4
133.06505	6.6
137.02943	3.6
137.06856	100.0
147.04395	15.0
148.93503	35.1
151.07521	6.0
156.97488	8.0
161.03004	5.2
162.06418	6.7
178.94623	19.8
178.99263	4.8
179.04042	4.3
179.09099	64.2
179.99075	3.2
180.07449	15.8
183.05963	3.1
198.00052	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03947	1.2
55.01869	2.3
55.05507	11.7
57.03433	9.7
57.07054	1.6
60.34256	1.1
65.03930	1.8
67.05499	37.3
68.36015	1.1
69.03415	3.6
69.07056	10.6
70.18615	3.3
71.04981	4.5
72.79567	1.0
77.03909	1.8
79.05042	1.8
79.05486	29.5
81.03415	1.2
81.07049	99.4
83.04974	6.3
83.08585	4.0
85.06525	8.4
89.03917	1.1
91.05470	34.2
93.07036	47.4
95.04951	4.5
95.08597	86.7
97.06523	17.9
98.23321	1.3
99.08102	9.3
105.04478	1.3
105.07021	38.6
106.07385	1.4
107.08572	16.5
109.06512	5.5
109.10137	6.2
111.08075	5.2
113.09663	1.4
117.06956	1.9
119.08569	56.2
121.10130	18.5
121.13142	1.0
123.08061	9.8
124.35600	1.2
124.96902	1.1
129.13455	1.0
131.65074	1.2
133.10118	35.4
135.11678	35.5
137.09602	4.3
137.13254	2.7
137.31738	1.2
147.03296	1.1
147.04395	2.5
151.11134	1.5
161.13248	91.6
162.13583	2.4
179.14287	100.0
180.14555	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	180.088
Annotation	1,3-Dimethylguanine
Peak:m/z	Relative Intensity
52.36157	0.4
55.02974	1.2
56.96554	0.6
65.03929	0.4
69.03419	0.6
70.06577	0.8
70.08118	0.7
70.08473	0.7
71.06113	2.4
79.05482	0.5
82.01431	1.5
82.04054	1.1
85.02894	1.6
89.29780	0.4
91.05492	0.7
92.05804	0.5
94.41016	0.4
96.04490	0.8
98.97575	3.8
100.02480	6.5
101.02426	0.3
102.00935	0.5
107.39999	0.4
110.03522	22.8
116.98618	3.4
118.03532	2.8
119.01978	0.6
120.01996	2.1
120.05247	0.8
121.01635	0.9
121.06490	0.9
121.08841	0.5
122.05905	1.0
124.03947	0.4
127.03896	0.6
128.04538	2.7
128.28992	0.3
134.03001	0.6
134.06007	0.7
134.99677	2.3
135.03006	2.9
136.07613	0.4
137.04686	0.5
137.05956	0.6
137.07217	0.6
137.08215	6.5
138.03122	0.8
138.96361	2.3
147.05402	0.9
148.04704	1.0
153.04071	6.7
156.96194	0.8
156.97476	16.8
157.97554	0.5
161.97981	0.5
162.06435	0.5
162.07715	2.9
162.08932	0.6
165.06480	2.1
174.98540	15.2
175.04478	1.0
178.07268	0.5
179.99132	10.5
180.08794	100.0
180.09991	4.3
181.04964	0.8
181.07211	0.7
181.09135	1.2
181.12045	0.4
198.00310	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	180.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40825	0.1
53.03948	0.1
55.05494	0.2
56.96562	0.9
59.79020	0.2
65.03936	0.5
67.05499	0.3
69.03412	0.2
70.91147	0.2
71.05060	0.2
72.04514	0.2
77.03925	0.2
79.05476	0.3
80.05010	0.2
81.07045	0.2
82.04196	0.2
85.02894	0.6
87.04468	0.2
91.05464	1.5
93.07043	2.6
94.06563	0.3
95.04964	0.5
96.04456	0.2
98.97572	3.9
103.05461	8.1
104.05787	0.2
105.04506	0.2
105.07028	0.2
106.06556	0.2
111.04436	0.2
111.37820	0.2
116.98623	3.6
118.06574	0.3
120.08099	100.0
120.96502	0.2
121.06498	6.0
121.08426	1.8
122.06033	0.4
124.07590	0.2
127.01532	0.1
127.03964	0.2
131.04919	1.3
134.05968	0.3
134.99651	2.2
135.04436	0.4
135.08006	0.4
135.09032	0.1
136.07561	0.5
137.05911	0.2
150.09131	0.2
152.07108	0.3
153.00703	0.5
162.05409	0.3
163.07523	0.7
163.11169	0.3
169.21709	0.1
171.06471	0.2
180.06567	0.5
180.08655	0.3
180.10153	2.5
180.13811	0.4
181.04953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
51.02391	0.8
53.03955	2.8
55.01873	2.8
55.05494	0.6
56.96566	6.8
57.03431	0.9
65.03941	36.2
67.01861	1.6
67.05506	12.4
68.02655	0.6
68.99802	1.2
69.03409	1.5
69.07059	1.1
69.26315	1.6
69.26720	1.4
70.06576	1.0
71.00812	0.5
75.04483	1.9
77.03923	3.1
78.04691	1.3
79.05500	2.8
81.03410	2.4
82.00558	0.8
82.04202	12.6
85.02905	17.6
89.03895	1.4
91.05478	21.8
92.02590	0.7
93.03400	7.6
93.06447	0.8
93.07043	15.8
95.01340	0.6
95.04968	16.0
97.02897	0.9
97.06532	8.0
98.06040	0.8
98.97584	45.1
103.05473	13.8
105.04503	5.5
106.04187	3.8
107.04965	1.7
108.02100	8.4
108.08080	1.0
109.06564	1.0
110.03656	13.3
110.09690	2.1
111.04451	6.0
116.98622	40.0
117.03348	1.1
119.08570	0.6
121.02837	1.0
121.06506	30.0
121.10144	0.8
123.00779	4.5
123.04395	1.5
123.08026	0.6
125.05997	7.0
131.04854	0.7
131.06032	1.3
134.03615	1.3
134.99654	21.8
135.04390	2.8
137.02318	1.9
137.05963	1.8
138.03117	9.2
138.06752	1.4
139.03880	1.9
140.00175	2.0
142.02640	4.3
145.02884	1.0
148.05148	1.0
149.05972	20.4
153.00720	3.2
153.05466	5.8
153.09071	2.9
158.01218	1.9
163.03903	10.0
163.07484	1.3
163.11154	0.8
166.06198	1.0
171.06520	23.1
180.17471	6.3
181.04948	100.0
181.17784	1.1
182.05309	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
50.01587	0.9
51.04474	0.7
53.03940	1.8
55.01604	0.8
55.01857	2.8
55.05502	1.9
55.52818	0.7
56.96288	1.1
56.96560	13.6
57.03424	1.0
58.86012	0.7
61.67482	0.7
65.03936	33.7
65.89771	0.7
67.01860	1.4
67.05503	12.2
67.17699	0.8
68.99773	1.5
69.03411	3.0
69.07057	2.0
70.06560	0.7
70.40814	1.6
77.03920	1.3
77.69902	0.7
79.05495	6.1
81.03414	4.6
81.07040	2.2
82.04194	14.9
83.04961	1.0
84.04481	1.3
85.02903	18.7
85.06536	1.0
91.05482	2.9
93.03412	4.8
93.07050	3.7
95.04971	6.0
95.08543	0.8
96.04478	0.8
97.06528	8.3
98.06062	1.4
98.97575	83.5
99.83528	0.8
105.04516	2.0
107.04949	1.8
107.08565	2.3
108.02080	9.2
108.08114	1.9
109.06478	1.0
110.03658	14.3
110.04404	0.9
111.04426	6.0
111.08038	0.9
116.98615	72.6
117.06967	0.9
121.03962	1.1
121.06522	4.6
121.08446	0.9
121.10135	3.2
121.72549	0.7
123.00783	4.0
125.06018	7.6
127.01619	1.2
134.99646	40.4
135.04424	1.0
135.08049	3.5
135.09076	0.9
136.07588	3.7
137.02377	1.5
138.03094	9.2
139.03856	1.5
140.00192	1.6
142.02573	4.3
145.02797	1.0
149.05954	1.1
152.07062	2.1
153.00725	4.9
153.05408	6.6
158.01241	2.5
163.03920	1.2
163.08702	1.5
163.11140	1.8
164.07079	2.2
166.02573	0.8
171.06511	24.4
176.61778	1.0
181.04939	100.0
181.12172	1.6
182.05345	1.4
182.08110	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	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03933	2.3
55.01859	1.8
56.96562	13.3
57.03424	1.3
65.03936	34.8
65.18024	0.7
67.05498	13.8
68.99777	1.0
69.03417	2.4
69.07053	1.4
70.06597	1.4
70.07531	1.4
70.07864	1.4
71.20882	0.7
71.95274	0.8
72.01619	0.7
77.03918	1.4
79.05499	3.6
81.03400	2.8
81.07005	1.3
82.04195	15.6
83.04958	1.3
85.02897	19.6
89.03895	1.3
91.05484	3.6
93.03404	5.2
93.07025	5.4
95.01305	1.0
95.04965	8.0
96.04456	0.8
97.02866	0.7
97.06534	7.0
98.03609	0.7
98.23476	1.0
98.97573	89.1
103.05447	2.1
105.04500	2.4
107.04905	1.1
107.08603	1.4
108.02090	8.9
110.03650	13.4
111.04449	6.4
116.98611	73.6
121.03981	1.4
121.06502	4.7
121.10115	3.3
123.00781	4.8
125.05988	8.6
134.99643	41.8
135.04430	2.4
135.08028	2.0
135.09062	1.0
135.11613	0.7
135.99799	0.7
137.02335	1.8
137.05969	2.5
137.27174	0.7
138.03107	10.2
139.03935	0.7
139.04985	0.8
140.00163	2.7
142.02643	4.4
145.02820	1.0
149.05995	1.5
152.07068	1.3
153.00737	4.8
153.05429	7.2
158.01231	3.6
163.03889	3.2
163.08731	0.8
163.11153	1.3
164.06998	0.8
171.06502	27.8
181.04935	100.0
181.08412	2.7
182.05299	1.8
182.08113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.00296	0.8
53.03935	2.8
54.04715	1.1
55.01857	1.8
55.05508	5.7
56.96565	10.1
58.64727	0.6
65.03941	32.2
67.05163	0.9
67.05505	11.1
68.99799	0.8
69.03432	2.1
69.07072	1.1
70.92165	1.0
71.95245	0.8
77.03938	2.3
79.05495	1.8
81.03408	3.0
81.07036	0.9
82.04195	13.7
85.02408	1.2
85.02904	19.7
91.05477	4.3
93.03400	4.9
93.07046	3.3
95.04970	7.7
97.02849	0.9
97.06535	7.5
98.06062	0.8
98.97581	64.6
99.08389	0.7
102.09189	0.6
103.05477	3.3
105.04523	1.7
107.08585	1.2
107.85143	0.6
108.02091	8.4
110.03661	13.2
111.04442	5.3
116.98616	59.1
120.08097	5.0
121.03966	1.1
121.06524	5.2
121.07267	0.8
121.07663	0.6
121.08430	1.5
121.10103	0.9
123.00793	3.0
123.04412	0.7
125.05991	8.9
127.01558	5.1
134.99649	37.2
135.08035	0.8
136.07591	1.5
137.02388	1.8
137.06020	3.1
138.03117	8.3
139.03856	0.7
140.00209	1.5
142.02609	3.7
148.33516	0.9
149.06003	2.3
151.07494	1.1
152.07072	1.2
153.00706	4.0
153.05482	5.9
158.01215	2.5
161.24272	0.6
163.03888	0.8
163.07516	0.8
163.08714	0.6
163.11121	1.5
166.02620	0.8
170.02109	0.8
171.06520	27.8
176.02161	0.9
178.17688	0.6
180.13780	0.8
181.04944	100.0
181.08429	2.1
182.05290	2.7
196.68192	0.8
197.43784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	stipitaldehyde
Peak:m/z	Relative Intensity
50.01601	0.7
52.19795	0.6
53.00296	0.8
53.03927	2.1
54.04720	0.7
55.01864	2.4
56.96567	11.2
57.03421	2.9
65.03941	34.5
67.05502	12.3
68.99792	0.8
69.03425	2.6
69.07056	1.5
69.78813	2.0
71.06121	0.9
71.95272	0.9
77.03916	2.2
77.84409	0.6
79.05502	4.5
81.03413	2.4
82.04202	14.8
83.04974	1.5
84.05636	0.8
85.02906	17.4
85.06393	0.9
86.07193	4.9
89.03924	8.1
91.05486	8.7
92.02670	0.6
93.03408	5.6
93.07040	4.8
95.04974	8.6
96.08129	0.7
97.02881	1.8
97.06528	6.9
98.06087	0.7
98.97581	72.8
103.05469	3.3
105.04498	2.6
106.04146	1.8
107.04964	3.7
108.02087	8.6
110.03660	13.0
111.04456	7.2
111.06691	1.8
116.98621	57.9
117.03379	11.2
121.03970	1.1
121.06512	7.8
121.10138	1.5
123.00790	5.1
123.04404	1.0
125.05993	8.7
134.99652	28.7
135.04413	17.8
135.05457	0.9
135.07985	1.0
137.02345	2.0
137.05910	1.0
138.03111	10.0
139.03874	1.9
140.00180	2.3
142.02586	3.5
145.02850	10.8
149.05968	5.7
149.09467	0.7
153.00699	3.0
153.05476	9.2
153.09062	1.3
158.01256	2.2
162.91173	0.6
163.03902	42.2
163.08643	0.8
163.11171	1.2
164.04237	1.4
164.11783	1.3
166.02597	0.7
171.06526	27.5
178.88754	0.7
181.04944	100.0
181.12173	1.5
181.14505	4.1
181.15854	0.8
182.05244	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	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
56.96564	0.4
57.03438	17.5
63.02367	0.7
65.03944	0.8
70.06571	0.3
70.66816	0.3
71.40677	0.3
77.03917	0.8
79.05489	4.1
89.03916	23.3
90.04257	0.5
91.05495	1.8
93.03420	0.8
95.04990	1.0
98.86247	0.3
98.97578	5.0
105.04532	0.6
107.04950	7.6
111.04502	0.6
116.98624	3.1
117.03378	26.1
118.03683	0.5
119.04883	0.5
121.06527	0.7
122.50209	0.3
130.06583	0.3
134.99693	0.9
135.04416	42.7
136.04744	0.9
139.03908	0.6
145.02850	27.1
145.03860	1.2
146.03194	1.1
163.03900	100.0
164.04236	2.5
181.02698	0.4
181.05040	1.7
181.06340	0.3
181.08578	2.5
203.29219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
52.59314	0.6
53.03936	2.2
53.85358	0.5
54.04710	0.9
55.01854	1.4
56.96326	0.6
56.96564	6.8
57.03433	0.7
58.28409	0.6
58.64999	0.5
58.92648	0.5
65.03940	31.7
67.05502	11.7
68.99779	1.4
69.03414	2.4
69.07066	1.0
69.37946	3.0
77.03923	1.9
79.05472	2.9
79.89205	0.6
81.03403	2.5
81.07041	0.9
82.00578	0.7
82.04199	14.9
85.02406	1.2
85.02902	17.0
89.03928	0.6
91.05470	2.5
93.03396	4.5
93.07036	2.0
95.04951	6.1
97.02895	0.7
97.06532	7.1
98.03660	0.8
98.23486	0.6
98.97579	48.8
103.05468	1.5
105.04495	1.7
105.07013	0.7
107.04916	0.9
107.08569	1.6
108.02095	7.6
110.03657	13.8
111.04439	5.5
116.98617	40.9
119.08582	0.9
121.03986	1.1
121.06511	4.2
121.10133	1.9
123.00784	4.2
125.05981	6.6
134.99657	19.1
135.04425	1.1
135.08049	1.1
135.11681	0.9
137.02348	1.5
137.05978	1.9
138.03123	8.7
139.03915	0.7
139.07489	0.5
142.02603	4.2
145.10112	0.6
149.05988	1.4
153.00682	2.5
153.05463	6.8
157.01266	1.4
158.01204	1.4
163.03880	2.7
163.07500	0.9
163.08690	0.6
166.02678	0.7
171.06525	24.8
172.06801	0.9
181.04945	100.0
181.08424	2.0
182.05287	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	181.0859
Annotation	10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid
Peak:m/z	Relative Intensity
53.03937	2.6
55.05513	1.0
56.96563	5.4
63.37651	0.8
65.03931	5.1
67.05494	2.4
70.72742	1.3
70.88744	0.7
71.04993	10.6
77.03937	1.2
79.05506	1.6
82.04223	1.0
82.66254	0.7
82.68481	0.7
85.02892	2.2
91.05479	7.4
93.07043	1.5
95.04964	8.3
97.06510	1.3
98.97580	55.2
103.05444	0.8
107.04948	48.3
107.08576	1.6
108.05286	1.3
109.02851	1.1
110.03639	1.5
111.04423	3.1
115.04673	0.8
115.05459	16.7
116.39783	0.7
116.98617	29.6
117.07014	54.0
118.07340	1.5
121.06484	5.1
123.04411	3.2
125.05984	0.9
128.66396	0.7
134.99649	11.4
135.08046	68.9
136.08336	0.9
137.05853	1.3
138.03119	1.4
139.03880	1.5
140.00162	1.4
145.06473	52.9
146.06778	1.4
153.00713	1.1
153.05495	0.9
155.06009	3.0
163.07532	100.0
164.07889	2.6
171.06532	2.3
181.04973	10.6
181.08580	34.6
182.19026	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	181.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16023	0.3
56.96564	1.7
57.03437	52.9
58.03783	0.4
63.02383	1.0
64.98746	0.3
65.03950	2.5
66.20268	0.3
67.05503	0.7
77.03949	1.0
79.05487	4.5
81.07068	0.5
81.44061	0.3
82.04194	0.5
83.64050	0.3
85.02898	0.5
88.15656	0.3
89.03915	19.8
91.05480	2.7
93.03420	0.8
93.07030	0.7
95.04963	1.7
97.06524	0.6
98.97584	13.7
99.44590	0.4
105.04530	0.9
107.04958	7.1
109.06497	0.5
110.03674	1.2
111.04433	1.1
115.46291	0.4
116.98627	8.7
117.03377	22.5
118.03727	0.8
118.33300	0.4
119.04919	0.4
121.06505	1.6
125.05991	0.7
134.99675	3.3
135.04411	41.1
136.04716	0.7
138.03113	0.5
139.03891	0.9
145.02847	25.7
146.03252	0.7
149.05983	0.8
153.05484	0.5
153.09003	0.6
163.03897	100.0
164.04204	2.8
171.06520	1.1
180.03238	0.9
181.02812	0.9
181.04999	7.7
181.08556	9.3
181.10074	0.8
195.36540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
50.85181	0.6
51.02385	0.8
53.03937	3.1
55.01860	2.3
56.96560	1.5
58.72461	0.7
59.06104	0.7
65.03928	2.7
67.05495	1.7
70.32194	0.9
77.03920	8.5
79.05489	3.7
81.03422	1.1
82.04173	1.0
85.02891	1.6
91.05478	37.5
93.07041	90.9
94.07377	1.3
95.04968	18.0
97.06536	1.1
98.97581	12.1
103.05466	12.9
105.04505	6.8
105.07027	3.8
107.04950	4.0
108.02126	0.9
110.03658	1.0
116.98624	6.0
118.21844	0.8
121.06504	100.0
122.06880	2.3
123.04436	3.1
123.47601	0.7
131.04904	9.5
134.99654	1.5
135.08057	18.8
137.05992	3.0
138.06766	5.2
139.07504	1.4
148.05220	2.0
149.05974	19.7
151.07558	1.6
163.03940	0.7
163.07521	7.2
171.06491	1.5
181.04950	8.3
181.08624	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05512	2.3
56.96566	5.5
57.03426	1.3
57.06812	2.1
57.07072	20.4
59.05001	3.0
62.49765	1.1
69.03427	1.8
69.07059	3.3
69.16518	3.1
69.16926	4.6
71.00871	1.1
71.77988	1.0
79.05499	7.4
81.03410	6.2
81.07050	3.2
83.04975	41.5
91.05482	4.9
93.07043	7.2
95.04967	15.3
97.06528	23.1
97.07125	2.1
97.48441	1.1
98.97580	23.5
105.07035	4.2
107.04953	2.4
107.08588	9.9
108.57384	1.0
112.80259	1.1
116.98604	21.2
117.07015	1.9
119.08585	2.8
121.06512	2.4
121.10140	11.2
125.05981	61.7
126.94613	1.1
134.99648	21.5
135.11693	5.1
140.00191	2.6
145.10104	10.9
153.00725	2.8
158.01295	2.6
163.11165	100.0
164.11562	3.3
179.23018	1.0
181.12204	29.6
192.07983	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03933	1.2
55.01862	2.7
55.05502	2.3
56.96559	7.4
57.03448	1.4
57.07072	21.4
59.04999	2.2
65.03933	8.1
67.05508	3.6
69.03439	1.2
69.07053	3.2
69.54930	3.0
69.55270	1.1
73.85788	0.6
77.03925	1.5
78.04681	0.9
79.05490	10.3
81.03412	7.4
81.07074	4.1
82.04205	2.8
83.04975	44.3
84.05289	0.9
85.02885	4.7
90.04716	1.6
91.05477	9.3
93.03408	1.7
93.07043	9.6
95.04965	21.3
95.08609	1.0
97.06523	25.7
98.97577	47.9
100.38502	0.8
103.05415	1.9
105.04506	1.4
105.07037	5.8
106.04165	1.4
107.04932	4.7
107.08591	9.3
109.06512	1.8
110.03659	3.2
111.04408	1.5
115.29804	0.7
116.98615	37.6
117.06994	3.4
117.98958	1.2
119.08581	3.8
120.05688	0.8
121.06500	8.4
121.10139	14.6
123.00781	1.0
123.04408	3.1
125.05984	63.7
130.07779	2.1
134.99649	19.3
135.04385	2.7
135.08029	2.0
135.11678	6.1
136.05144	1.6
136.07591	1.2
137.05963	6.4
138.03114	2.5
138.06752	4.2
140.00221	1.9
145.10127	10.3
148.05165	21.5
149.06001	3.6
151.03905	2.8
152.07063	1.6
153.00659	2.1
153.05508	1.1
158.01233	1.8
163.04001	1.1
163.11166	100.0
164.11504	2.1
166.07634	0.8
171.06494	4.6
181.04965	20.7
181.08574	46.8
181.12193	28.6
182.01099	0.8
201.96101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.82677	1.8
55.05515	2.7
57.07076	21.3
59.05007	2.1
69.03432	2.2
69.07072	4.3
69.20345	5.2
69.20757	3.6
79.05486	5.0
81.03430	5.7
81.07047	4.1
83.04980	36.2
91.05470	2.8
93.07028	6.8
95.04969	15.3
95.08603	1.5
97.06525	16.8
98.22628	1.6
98.97578	9.5
105.07028	4.6
107.08583	8.8
116.98620	8.4
117.07023	3.2
119.08611	1.9
121.06474	3.5
121.10139	10.6
125.05982	58.7
134.99664	6.6
135.11687	4.6
139.73357	1.4
145.10130	11.7
163.11176	100.0
164.11511	4.3
175.30954	1.4
181.12228	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05512	3.6
57.07074	22.8
59.04990	2.6
67.05492	2.5
69.07069	3.2
69.22503	13.0
79.05482	5.9
81.03412	7.3
81.07044	5.2
83.04974	49.9
83.05439	3.7
84.68686	1.9
91.05476	3.9
93.07042	8.8
93.99046	1.9
95.04963	15.8
97.06525	23.6
98.97576	7.6
105.07037	3.1
107.08585	9.8
116.98609	8.0
117.07001	3.8
119.08592	3.2
121.06446	2.6
121.10172	12.5
125.05980	58.5
130.07790	3.6
134.99632	6.8
135.11662	6.3
145.10129	11.6
163.11165	100.0
181.12172	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	181.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.02996	0.9
55.05509	1.7
56.96563	12.6
57.07063	1.9
58.11720	1.0
65.03939	16.3
67.05499	5.5
68.05032	9.4
69.03430	1.7
69.04554	1.3
69.07071	9.5
70.06552	1.0
71.06113	8.1
79.05496	9.9
80.05027	1.0
81.03417	3.8
81.05791	4.0
81.07034	1.0
82.04191	7.2
83.04977	5.2
84.04538	1.1
84.05625	11.6
85.02908	8.5
85.05901	1.2
85.06408	17.0
86.07187	98.0
91.05473	3.0
93.03386	3.2
93.07047	3.4
94.06571	6.8
95.04974	6.7
96.04462	1.0
96.05613	1.3
96.08117	8.8
97.06528	5.6
98.06026	1.5
98.97580	100.0
103.05470	1.9
105.04506	2.0
107.08568	2.6
108.02087	2.6
110.03663	6.8
110.07159	1.6
111.04427	4.1
111.06690	19.6
115.33309	1.0
116.98618	75.4
121.06499	3.1
121.07603	1.8
121.10132	2.7
122.07160	4.4
122.09643	1.5
123.00771	2.4
125.05967	7.9
125.08232	2.3
126.09055	0.9
134.99648	32.9
135.07936	1.1
135.11690	1.2
136.07605	9.1
136.08620	1.8
138.03110	3.2
138.10268	6.1
139.03867	1.3
140.00163	2.7
142.02657	2.0
149.05963	2.4
149.09462	4.0
152.07077	2.5
153.00684	2.9
153.05423	4.4
158.01260	3.9
163.07498	1.2
163.11195	8.3
164.07051	3.4
164.11830	15.7
171.06491	10.3
181.04948	48.0
181.08485	1.9
181.12172	3.3
181.14471	60.8
182.05331	1.2
182.08055	1.8
182.14809	1.1
201.92302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26578	0.4
56.96564	1.1
60.91155	0.4
65.03922	1.0
69.81511	0.7
70.06587	100.0
71.06906	0.8
73.89809	0.4
81.03421	1.0
82.04185	0.6
85.02892	0.9
93.07060	0.8
98.22981	0.9
98.97577	9.5
102.72940	0.4
110.03586	0.6
112.08722	34.1
116.98618	6.2
121.10114	0.4
125.05951	0.6
134.99658	2.7
153.05476	0.4
163.03929	0.5
171.06458	0.5
181.04926	3.6
181.14505	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.0
65.03938	1.2
67.05512	0.4
68.05013	0.4
70.06589	100.0
70.68500	0.4
71.06918	1.1
82.04129	0.4
95.04958	0.4
98.23409	0.4
98.97576	6.4
108.02174	0.3
110.03688	0.3
112.08724	33.8
116.98622	3.9
134.99663	1.3
144.18016	0.3
155.58827	0.3
171.06474	0.6
181.04889	2.0
181.09677	0.3
181.14464	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	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.01859	1.0
55.05285	0.9
55.05512	8.2
56.96554	1.2
57.03447	1.5
57.07072	2.4
58.02958	32.3
59.05022	0.8
67.05161	1.4
67.05502	21.2
69.07063	64.3
70.06584	2.1
70.07409	0.8
71.10265	1.3
72.08132	1.4
74.06060	1.8
77.03960	0.8
78.62154	0.7
79.05494	7.0
81.03376	1.1
81.07052	21.5
82.06545	0.9
83.04971	1.0
83.08604	6.9
84.08142	10.2
86.06083	1.7
91.05480	4.2
93.07043	10.7
95.04958	2.0
95.08611	5.6
96.04485	1.0
96.08126	0.9
97.06506	2.5
98.06048	3.6
98.09669	1.9
98.97594	4.4
98.98401	0.7
99.97909	2.5
100.07590	7.7
105.07026	13.9
107.08582	16.4
109.06499	2.1
109.10149	52.6
110.10478	0.8
112.07597	3.0
114.09165	15.0
116.54084	0.6
116.98621	3.5
117.98959	1.0
119.08563	1.6
121.10145	1.4
123.11700	8.1
126.09146	12.9
126.12782	1.3
133.10121	27.5
134.10518	0.9
134.99661	1.3
135.11685	18.5
136.00014	1.0
137.13266	1.3
138.12764	20.1
139.13116	0.9
140.10611	0.8
140.14368	1.2
140.75053	0.7
147.11697	4.7
147.37321	0.7
151.11162	10.0
152.06943	0.8
153.12724	12.4
154.15944	1.7
164.14386	2.1
165.12772	2.5
182.15393	100.0
183.15712	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	183.0287
Annotation	Fomecin B
Peak:m/z	Relative Intensity
54.01085	3.0
55.01871	4.7
56.02650	4.8
57.03421	1.6
66.01072	2.4
67.01846	1.3
68.99788	5.1
69.03425	4.8
71.01360	3.8
71.04979	0.8
76.56970	0.6
84.02122	12.3
85.02888	2.0
95.01323	2.3
95.04969	3.7
95.21287	0.6
98.98467	7.2
99.00808	8.1
99.04436	2.7
100.01601	11.3
100.97178	0.9
109.02888	1.3
112.01578	26.2
123.00764	0.9
123.04423	2.4
125.62429	0.7
127.00284	8.3
127.01614	0.9
127.03922	2.5
137.02303	1.4
139.00174	0.8
140.01036	21.3
141.01411	0.7
142.13260	0.7
154.99731	2.2
155.03474	3.2
155.04549	0.9
155.08502	0.9
160.04636	0.9
168.00533	84.1
169.00911	1.3
182.02881	0.9
182.19064	1.9
183.02882	100.0
184.03206	1.8
186.01590	88.0
187.01920	2.0
201.03928	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	183.0288
Annotation	Stipitatate
Peak:m/z	Relative Intensity
52.97873	0.6
53.00306	3.2
53.03935	2.7
55.05496	2.5
65.03941	8.0
67.01847	2.0
67.05506	0.8
68.91267	0.6
68.99786	52.4
69.03424	27.4
71.01057	0.5
71.01354	6.1
71.22943	0.6
71.42698	0.7
78.70183	0.6
80.90720	0.6
81.03416	12.2
83.04973	2.9
85.02905	11.8
87.00874	0.8
93.03400	6.7
95.01324	62.9
95.04961	2.2
95.08619	0.6
97.02888	2.7
98.98470	8.5
99.00814	3.4
99.01350	0.7
107.01308	1.7
109.02865	7.3
111.00850	1.4
111.04441	9.0
113.02357	25.1
115.03892	2.2
121.02848	1.5
121.03992	2.2
123.00775	0.9
127.01555	1.4
127.03914	3.1
127.48669	0.7
131.03391	1.6
137.02321	36.3
139.00079	0.8
140.01068	0.7
141.01831	3.7
152.53510	0.6
155.03387	8.6
155.04739	1.2
157.01318	1.2
160.04585	0.7
165.01826	3.5
168.00505	1.3
168.09276	0.7
174.57707	0.7
183.02881	100.0
183.11725	1.3
184.03255	1.8
186.01581	1.7
201.03932	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	183.0651
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
51.02370	0.6
52.03167	0.5
53.03949	4.5
55.01877	2.6
55.64102	0.5
65.03934	4.1
67.05501	8.2
69.53562	1.9
73.37341	0.4
77.03922	6.6
81.03409	0.7
81.07067	0.5
90.44749	0.4
90.61571	0.4
93.03354	0.5
95.04964	100.0
96.05272	1.4
97.02895	0.6
98.98462	2.5
103.89793	0.5
105.04513	12.1
110.03632	0.5
111.04462	1.1
114.65900	0.4
121.03999	1.2
123.04425	75.0
124.04770	0.9
125.02330	4.5
133.72552	0.4
139.07541	1.0
140.04674	30.0
155.07022	18.9
183.06541	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	183.1168
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
50.74746	0.5
50.79082	0.5
55.05514	1.1
62.18208	0.4
65.59296	0.4
74.93655	0.5
79.05486	0.5
91.05502	2.1
92.82899	0.5
98.98464	5.0
105.07064	1.7
115.05475	1.7
119.01926	1.0
127.01573	0.9
128.06230	3.0
129.06987	3.3
131.64517	0.5
141.06975	13.9
142.03540	1.1
142.07784	9.6
143.08565	4.8
152.06219	1.4
153.06982	31.6
153.77159	0.4
154.07788	3.9
155.08548	43.9
156.08908	0.9
160.04593	1.5
161.31851	0.5
165.07027	3.3
166.07748	2.5
167.08565	9.0
168.09338	75.6
169.09715	1.8
178.05644	0.9
181.10115	4.1
183.08170	7.2
183.11681	100.0
184.11998	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	183.1168
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
52.36153	0.5
55.05531	0.8
73.51626	0.6
83.02486	0.5
91.05486	1.7
97.91572	0.5
98.98461	2.9
105.07033	1.5
115.05466	2.4
118.88378	0.6
119.01929	0.9
127.01608	0.9
128.06213	2.6
129.07016	2.2
135.77258	0.5
141.06995	12.4
142.03497	0.9
142.07785	8.4
143.08591	4.2
151.18086	0.6
152.06186	2.1
153.06982	30.5
154.07799	4.6
155.08543	45.4
156.08876	1.5
160.04599	1.3
165.06964	2.7
166.07835	2.4
167.08543	8.1
168.09337	70.6
169.09669	2.4
181.10117	4.4
183.08189	7.3
183.11682	100.0
184.12025	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	183.1167
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
55.05497	0.9
60.05703	0.4
65.93127	0.5
70.82343	0.7
91.05472	1.6
98.98463	4.9
101.00861	0.7
104.06548	0.5
105.07025	1.3
115.05450	2.1
118.98267	0.6
119.01906	1.4
127.01574	0.7
128.06203	2.7
129.06990	3.5
141.06982	13.1
142.03485	1.3
142.07776	8.4
143.08525	4.0
152.06197	1.6
153.05693	1.0
153.06972	29.6
154.07777	4.2
155.08536	44.3
156.08900	1.1
160.04573	3.2
165.06969	2.8
166.05038	0.6
166.07706	2.1
167.08553	8.2
168.09323	73.6
168.53448	0.5
169.09766	2.6
171.54721	0.5
178.05595	1.0
181.10110	3.6
183.08179	8.7
183.11671	100.0
184.12001	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52714	0.2
60.00644	0.2
60.43124	0.2
66.41417	0.2
69.97202	0.6
70.22452	0.2
82.99825	1.6
100.11485	0.2
101.00874	25.3
102.00931	1.1
103.00651	0.2
111.79152	0.2
118.03524	0.4
119.01913	100.0
120.01990	4.0
121.02355	0.4
121.07612	0.3
124.02428	1.3
137.02950	30.7
138.03044	1.1
142.03493	18.6
143.01918	0.3
143.03632	1.6
149.07088	0.3
157.03508	0.2
160.04549	6.0
161.02953	7.7
161.04495	1.3
162.03085	0.2
162.04350	0.4
165.05125	0.2
167.08131	0.2
176.04076	0.2
178.00998	0.2
179.03998	9.7
179.05537	0.5
180.04095	0.3
184.04562	1.2
202.05623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13652	0.6
70.54440	1.5
82.92986	0.7
82.99831	3.4
84.04499	6.4
86.09721	0.7
97.01405	3.4
101.00872	36.6
102.00962	0.8
111.83536	0.7
112.02495	1.1
114.03999	1.2
115.02415	6.4
117.03992	1.6
118.03522	1.1
119.01910	100.0
120.01989	3.5
121.24034	0.7
124.02428	2.1
130.03494	3.1
132.05054	1.2
133.03447	2.0
135.05048	0.8
137.02956	21.3
138.03036	0.9
139.02397	2.1
142.03493	26.2
143.03625	1.1
148.04498	1.3
150.06142	0.9
157.03456	21.2
160.04550	25.1
161.02968	7.2
161.04836	1.6
175.04536	6.7
179.03996	7.8
179.05499	1.0
184.04549	24.6
185.02953	6.3
185.04480	1.7
197.11073	0.7
202.05592	15.4
203.04066	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	2.0
57.03448	1.0
59.22091	1.0
66.05604	1.0
70.62273	1.3
71.26758	0.8
82.99812	4.1
84.04496	30.7
86.03554	1.1
86.09702	2.5
93.61701	0.9
97.01388	10.6
99.02950	2.1
100.02489	1.1
101.00873	36.5
102.93240	0.8
112.02455	3.8
114.04053	5.4
115.02431	22.7
117.03996	7.0
118.03490	4.4
119.01909	61.0
120.02021	1.7
124.02435	4.3
125.00008	0.9
130.03516	10.7
132.05017	4.3
133.03450	7.4
135.05022	2.1
136.93483	0.8
137.02945	12.8
139.02397	9.0
142.03488	42.5
143.01878	1.3
143.03534	1.5
148.04543	6.0
150.06111	3.8
157.03459	100.0
158.03638	4.0
158.06566	0.9
160.04547	90.1
161.02921	3.6
161.04689	3.9
166.03542	5.7
167.01868	2.6
175.04501	28.8
179.04094	1.8
184.04543	87.6
184.07240	2.2
185.02957	36.3
185.04617	3.5
186.03165	1.0
202.05594	63.0
203.04002	12.4
203.05777	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.8
58.99876	0.8
65.51507	0.8
71.42775	0.8
82.99809	4.6
84.04501	34.5
91.65768	0.7
97.01392	12.2
99.02953	0.9
101.00874	38.2
101.33339	0.8
102.00944	1.2
112.02444	3.5
114.04057	5.1
115.02430	27.1
115.53129	0.9
117.03442	0.6
117.03990	6.5
118.03516	2.0
119.01913	81.1
120.02005	2.5
124.02447	3.6
130.03506	11.8
132.05054	5.6
133.03456	10.2
135.05031	3.3
137.02950	14.2
139.02380	9.4
142.03493	41.2
143.01913	1.1
143.03596	1.9
148.04568	5.0
150.06128	5.0
157.03459	100.0
158.03601	3.4
160.04546	94.9
161.03020	1.8
161.04703	4.9
166.03508	4.3
167.01877	1.8
175.04514	29.6
176.04614	1.1
179.03964	2.1
180.05109	1.5
184.04539	75.9
185.02954	34.9
185.04578	2.4
186.03172	1.1
202.05598	59.6
203.04031	10.2
203.05843	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	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
57.05464	0.6
58.06601	0.9
60.08164	19.5
68.99780	1.8
69.96494	2.1
71.07371	11.7
84.91084	0.7
86.09702	100.0
86.62671	0.7
87.10021	1.0
90.17671	0.6
96.60458	0.7
98.98464	18.2
101.95022	12.6
102.96856	1.5
104.10763	3.4
107.06138	0.6
110.27024	0.6
119.01913	0.8
119.96057	6.4
120.02087	1.0
120.97913	2.2
124.99998	82.1
131.39990	0.7
137.97096	4.1
138.98973	1.4
139.00148	0.7
144.18091	0.7
155.98112	1.6
161.04622	1.1
178.99753	0.8
184.07336	95.6
185.00717	1.2
185.07590	1.1
189.17267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05027	1.4
57.32653	0.3
58.06602	0.7
60.08160	19.4
62.96395	0.4
69.09556	1.6
69.09985	1.2
71.07370	12.1
83.27672	0.4
86.09700	100.0
87.10029	1.2
98.98460	19.9
101.95020	1.6
104.10734	4.9
107.21551	0.4
107.64555	0.3
119.96045	0.6
124.99995	83.3
126.00323	0.7
130.10272	0.4
143.01007	0.6
143.28673	0.3
164.16092	0.3
183.95184	0.3
184.07330	92.0
185.07664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.98995	0.4
56.05027	1.8
58.06597	0.7
58.97981	0.5
60.08161	20.3
68.99783	0.6
69.26745	2.4
71.07369	11.8
86.09699	100.0
87.10031	1.6
91.85104	0.4
98.98458	17.2
101.95026	5.4
102.96883	0.5
104.10740	4.3
119.96056	2.0
124.99992	88.3
134.75206	0.4
137.97099	0.8
143.01016	1.2
160.98663	0.4
178.44342	0.4
184.07327	94.1
185.07631	1.6
200.46635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.008
Annotation	Chelidonic acid
Peak:m/z	Relative Intensity
68.99785	100.0
70.00114	0.8
70.24638	0.2
70.24972	0.4
71.01347	0.6
71.75144	0.2
91.55898	0.2
92.99760	2.0
111.00796	4.7
119.48508	0.2
119.93980	0.2
120.19704	0.2
129.07030	0.2
139.00250	21.0
139.13875	0.2
140.00597	0.5
157.01331	1.2
157.06349	0.2
165.07835	0.2
166.99742	11.1
185.00797	49.9
186.01125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15509	16.4
60.33507	17.0
69.15152	27.7
69.15575	100.0
72.68674	18.2
145.41634	17.6
193.13847	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	185.0593
Annotation	Dibenzo-p-dioxin
Peak:m/z	Relative Intensity
50.01593	1.2
51.02373	4.6
53.03943	10.8
55.01871	1.5
60.95835	0.7
63.36346	0.5
68.99795	2.6
77.03922	11.1
81.03397	1.2
94.12693	0.5
95.04964	61.6
96.05302	1.3
102.96857	2.5
103.05493	0.8
105.04512	29.1
107.06071	0.6
115.05461	3.3
118.06542	1.1
120.97904	2.8
127.05399	1.2
128.05228	0.8
128.06216	39.8
129.06998	100.0
130.07353	3.2
131.04936	0.6
138.98909	1.4
139.05420	0.6
144.03244	0.5
145.06496	4.2
149.07065	1.1
155.06001	7.9
157.06483	13.9
162.04358	0.9
162.72050	0.4
167.08330	0.6
167.94745	0.5
181.77370	0.5
185.00710	1.2
185.05963	34.7
186.06406	1.3
186.22162	0.8
188.31978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84981	0.1
68.99550	0.2
70.68260	0.2
73.74382	0.2
88.02203	0.3
101.02014	0.2
102.12819	0.2
105.15120	0.1
109.04515	1.0
111.01184	0.1
113.04047	0.3
122.05959	0.2
123.03519	0.2
125.01971	0.4
125.95718	0.1
139.03558	0.2
143.03058	0.2
145.02589	27.3
145.10060	0.2
146.02939	0.5
159.04164	5.9
163.03690	0.6
166.04654	0.9
173.03226	4.0
186.05244	100.0
186.18518	0.3
186.22195	0.6
187.05583	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	186.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83521	0.2
57.07071	0.3
69.16943	0.5
69.17336	1.5
74.60732	0.3
88.02207	0.5
101.09479	0.2
102.12846	0.3
113.03998	0.3
121.02518	0.3
122.06063	0.5
123.03526	0.7
125.01970	0.9
143.03032	0.8
145.02586	71.7
146.02921	1.3
152.22658	0.2
163.03654	2.5
173.01010	0.3
173.03214	15.4
186.05241	100.0
186.18559	0.6
186.22141	2.2
187.05589	2.4
187.07521	1.2
190.88922	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	186.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11581	0.3
57.07072	0.7
59.69675	0.3
69.65202	0.6
69.65588	0.8
79.40936	0.3
88.02216	0.7
94.40907	0.3
102.12802	0.3
111.31538	0.3
113.03969	0.6
122.06036	0.7
123.03535	0.8
143.03033	1.0
145.02591	67.3
146.02962	1.2
150.05437	0.3
151.62958	0.3
163.03677	2.3
173.01714	0.7
173.03217	15.3
186.05249	100.0
186.18536	0.7
186.22171	3.7
187.05589	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	186.9954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54584	1.3
53.74705	1.3
65.64141	1.3
67.95709	1.3
70.13898	3.1
80.06095	1.1
84.04533	2.7
98.22679	1.8
101.00878	2.3
103.00646	1.7
104.99266	100.0
110.82803	1.1
119.01941	2.1
121.01691	4.4
122.02017	2.0
142.03566	1.4
145.03532	2.1
162.41159	1.3
163.04692	2.0
166.01700	1.5
186.14871	8.6
186.91234	2.3
187.02969	1.4
187.04501	2.7
187.10724	1.7
187.15294	1.6
205.05663	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	187.0753
Annotation	3,5-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
59.30183	0.2
67.05508	0.2
68.99776	0.4
71.42303	0.2
77.03960	0.2
81.07040	0.3
85.02900	0.9
88.02193	0.5
90.04218	0.3
91.05469	1.7
95.04956	0.3
100.07626	0.4
103.05476	1.2
104.04070	0.2
105.03401	0.9
105.07040	0.3
112.64007	0.2
115.05404	0.3
116.06252	0.3
117.07006	0.6
118.03740	0.3
119.08552	0.3
128.06206	0.3
129.03351	0.4
129.07005	0.7
131.04881	0.3
131.08569	1.3
141.06955	0.8
143.08571	0.3
144.05707	0.8
145.10191	1.0
146.03131	0.5
159.04303	0.3
159.06960	0.5
159.08070	0.7
159.11751	1.0
172.05209	0.3
172.08861	0.3
187.04089	3.9
187.07526	100.0
187.14777	1.0
188.07864	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	187.1479
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05509	2.7
57.07065	6.4
67.05502	2.8
69.07065	1.5
71.43152	0.8
73.91805	0.6
79.05471	4.6
81.07048	9.8
83.08607	1.5
88.02203	5.0
91.05476	10.0
92.84756	0.7
93.07035	7.4
95.04976	0.9
95.08599	5.5
105.07021	18.9
107.08583	4.2
115.05459	1.9
116.06221	2.4
117.07009	12.2
119.08580	11.5
121.10113	0.7
128.06239	1.9
129.07021	5.6
130.07799	6.8
131.08559	51.8
132.08966	0.8
133.10101	3.4
141.06953	1.1
143.07430	1.0
143.08546	16.9
144.09344	4.1
145.10110	91.4
146.02945	2.0
146.10594	1.4
146.12053	0.6
150.12711	0.7
151.59607	0.7
157.10129	9.7
158.10899	12.1
159.07074	0.9
159.11684	41.0
160.11981	0.9
172.12442	9.5
175.69815	0.7
186.22105	1.1
187.05569	2.4
187.14801	100.0
188.06845	2.8
188.15161	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05502	2.7
57.07063	3.6
60.22594	0.8
67.05495	3.9
69.07088	1.9
77.03881	1.2
79.05492	6.2
81.07051	13.6
83.08661	1.1
91.05463	12.2
93.07037	11.7
94.44261	1.0
95.08616	8.9
105.07024	22.3
107.08598	7.8
113.00970	0.9
115.05428	1.4
116.06245	2.3
117.07023	18.1
119.08578	15.5
129.07013	6.1
130.07785	6.4
131.08566	47.5
132.09320	1.0
133.10109	4.4
142.07767	0.9
143.08543	9.6
144.09326	3.3
145.10118	79.5
157.10121	8.0
158.10951	5.2
159.11693	26.2
162.63254	1.1
172.12488	8.1
187.05608	1.7
187.14816	100.0
188.15150	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	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86393	0.4
62.08836	0.4
81.30191	0.4
83.27549	0.4
91.05468	4.4
115.05451	6.2
116.06233	0.7
117.05760	1.6
117.07018	4.5
118.06538	72.0
119.06886	1.2
132.08127	0.8
132.53654	0.4
135.64377	0.4
142.06512	6.6
143.07301	13.5
144.04424	0.7
144.08087	24.5
145.06467	1.2
145.08423	0.8
146.06001	100.0
147.06337	2.1
155.06006	1.2
160.07544	1.4
170.06006	8.3
188.07062	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.97615	0.3
69.29417	2.1
85.44778	0.3
89.94981	0.3
91.05471	4.3
98.22591	0.3
114.64806	0.3
115.05453	6.5
116.06267	0.4
117.05771	1.2
117.06223	0.4
117.06997	4.9
118.06534	70.5
119.06887	1.0
132.08075	0.5
134.97252	0.3
135.20392	0.4
142.06525	6.0
143.07303	11.9
144.04419	1.0
144.08080	22.6
145.06477	1.2
145.08424	0.5
146.05998	100.0
147.06319	1.6
155.06009	1.2
160.07591	1.2
166.46202	0.4
170.05992	9.0
188.07060	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.9675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98005	1.0
60.44548	0.4
61.01148	50.6
68.62126	0.4
69.96813	0.9
69.97141	1.0
84.97484	39.5
85.01141	0.9
85.97834	0.5
88.95197	49.6
116.98302	0.8
119.08550	0.9
120.97774	5.4
133.10129	0.6
144.97758	100.0
145.98053	1.5
148.02309	0.5
188.15057	0.7
188.96736	98.5
189.12680	0.5
189.97009	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	189.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.9
52.32942	4.5
55.01844	5.6
55.05509	22.0
56.85617	4.2
57.03437	10.2
65.35599	4.5
67.05482	4.7
68.99799	7.4
69.03422	8.6
69.07081	4.5
70.06586	13.2
71.04989	100.0
71.05357	9.3
75.04492	7.7
77.03918	8.3
79.71983	4.5
83.04977	71.8
85.02908	45.4
87.04469	12.3
91.05491	18.1
93.07016	7.7
103.05470	6.3
105.03398	15.7
105.07035	29.0
107.08619	6.0
111.04456	56.2
112.30169	4.5
113.06015	7.9
115.05473	9.3
117.05503	9.4
117.06986	8.2
119.04919	5.1
119.08583	38.1
128.06245	20.7
129.05484	40.2
129.06992	16.2
131.08598	7.8
133.02859	10.5
133.06532	6.6
133.10129	24.3
141.06989	8.0
143.08571	16.0
145.06551	8.1
145.10120	12.5
146.07243	8.1
147.08060	13.7
147.11647	22.9
156.09341	36.9
157.06499	8.7
159.08018	12.1
159.11632	4.4
161.02330	11.1
161.05980	12.2
161.09653	12.0
161.13292	10.2
171.07976	4.5
171.11726	35.9
174.06760	13.1
174.10414	13.8
179.03458	4.7
187.52379	5.7
189.05417	28.2
189.09102	37.9
189.12721	81.0
189.16420	10.1
206.13693	4.7
207.02850	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	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05505	1.2
57.03433	1.4
58.00001	0.7
59.02413	0.7
64.72321	0.7
65.89865	0.7
69.57607	1.9
69.57991	1.8
79.05494	1.4
85.02909	5.0
87.00816	1.2
91.05475	23.5
95.08604	1.0
98.23508	0.8
103.05451	1.5
104.34590	0.8
105.03385	2.8
105.07018	5.9
107.04940	7.8
108.43050	0.7
115.05424	1.6
116.06244	2.0
117.07004	1.4
118.04154	5.6
118.07861	0.9
119.04173	0.9
119.04945	9.2
119.08543	1.2
120.82094	0.6
121.06504	9.9
128.06213	13.3
129.07004	31.1
130.07785	1.2
130.25494	0.7
131.04909	7.2
131.08565	4.6
133.02849	13.6
133.06464	3.8
133.10051	1.0
144.05708	3.9
145.06477	2.7
146.07259	16.1
147.04391	1.6
147.08032	2.1
147.11679	0.9
148.05185	100.0
149.05568	2.6
155.06047	2.2
157.06483	14.9
158.07288	1.8
159.04433	1.2
159.08037	2.1
161.05972	26.2
161.09610	35.6
174.06738	12.1
189.09102	34.6
189.12683	1.9
189.16237	0.9
190.06244	1.3
190.09511	1.8
199.99390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.3
55.05505	6.2
57.07064	1.8
59.04985	2.2
65.03941	1.4
67.05485	4.9
69.07049	4.5
70.06585	2.5
70.81270	1.5
70.81588	1.9
73.06556	1.2
79.05486	3.5
81.07035	4.4
91.05475	62.0
93.07049	3.9
95.04948	1.8
95.08577	6.5
101.06096	1.2
105.07020	30.9
106.96593	1.3
107.04929	2.1
107.08578	2.6
109.06472	1.4
115.05428	3.3
117.07021	15.1
119.04945	5.6
119.08561	25.5
121.06481	1.4
128.06216	8.0
129.06985	13.5
130.07764	3.2
131.08549	20.6
132.05676	2.4
133.06479	6.5
133.10123	8.9
141.06972	4.9
142.07755	3.0
143.08540	16.6
145.06459	4.0
145.10120	13.2
146.07254	3.7
147.08015	13.0
147.11652	3.3
155.08585	1.6
156.09348	10.9
159.08075	2.3
159.11650	4.0
160.08818	3.9
161.09581	4.8
161.13260	8.7
171.11649	10.9
174.10391	5.6
178.28062	1.2
189.06918	2.9
189.09096	6.6
189.12718	100.0
190.13107	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01864	0.8
55.05505	4.6
57.07062	1.2
59.04977	2.1
65.03936	1.1
67.05498	5.0
69.03431	0.9
69.07061	5.4
69.82265	0.6
71.43048	0.7
73.06536	1.2
77.03898	0.8
79.05486	6.1
81.07053	3.7
83.04928	0.8
86.67362	0.6
90.33683	0.6
91.05472	65.6
92.05807	1.4
93.07047	4.0
95.04944	2.1
95.08603	7.5
103.05437	1.0
105.07015	30.1
107.04917	2.3
107.08600	2.0
107.95658	0.6
109.06483	1.2
115.05423	3.3
116.06207	1.1
117.07011	16.2
119.04929	5.1
119.08566	25.4
120.08917	0.7
121.06478	1.5
121.10162	1.1
128.06210	5.8
129.06985	14.3
130.07782	1.4
131.04918	1.0
131.08559	21.5
132.05702	1.2
133.06511	5.5
133.07452	1.1
133.10110	9.7
135.08008	1.3
141.06998	4.9
142.07735	2.7
143.08548	17.4
144.97711	0.9
145.06464	3.2
145.10097	12.9
146.07214	0.9
147.08015	12.9
147.11653	3.2
155.08598	0.8
156.09325	12.6
159.08015	3.2
159.11679	3.7
160.08824	2.4
161.09567	3.9
161.13235	9.3
161.71825	0.9
171.08070	0.8
171.11678	11.6
174.10364	8.1
189.09161	3.7
189.12720	100.0
189.16318	2.5
190.13054	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22572	2.3
64.35632	2.3
65.03909	2.7
68.99780	2.8
69.03405	6.6
71.41798	3.5
79.05470	3.6
85.02853	2.5
87.41839	2.6
91.05473	9.6
93.07007	2.3
105.03343	3.0
105.07018	19.1
115.05424	3.0
117.06995	8.3
119.08569	24.7
119.78092	2.8
128.06221	5.9
129.03865	2.4
129.06972	7.6
130.07784	4.9
131.08542	10.3
133.06430	2.8
133.10112	8.1
135.07893	2.2
141.06966	9.3
143.08546	9.0
145.10115	22.0
147.04500	2.6
147.06775	2.6
147.08020	13.1
147.11690	29.3
151.60674	2.4
155.08493	3.5
156.09334	59.7
159.08060	9.9
159.11665	13.5
161.02364	3.0
161.09595	3.9
171.11697	62.0
174.10352	10.5
182.61555	2.2
189.04004	2.8
189.05411	4.7
189.09047	6.8
189.12714	100.0
190.08482	2.7
207.02913	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05497	2.3
57.33968	0.9
61.24433	0.9
67.05499	2.0
69.03427	8.2
69.07041	2.5
70.06587	3.2
79.05477	3.3
81.07050	3.3
83.04964	1.6
84.08123	2.8
88.36407	0.8
90.96754	1.3
91.05470	10.8
93.07029	4.1
95.04961	2.6
95.08534	0.8
105.07021	21.9
107.08627	4.7
109.06523	2.1
115.05410	2.5
116.06212	1.3
117.06995	3.0
119.04932	1.3
119.08573	38.0
121.06525	1.9
121.10123	1.7
128.06239	2.1
129.07045	4.7
130.07770	2.4
130.08626	1.8
131.08565	9.1
133.06474	3.1
133.10121	13.1
135.08025	3.7
141.06992	6.2
142.07710	1.2
143.08556	6.9
145.06493	2.2
145.10104	10.9
146.07262	1.4
146.10782	1.2
147.08046	16.2
147.10616	0.9
147.11678	23.8
153.22003	1.0
155.08531	2.3
156.09332	36.7
159.08014	14.1
159.11662	7.9
159.12866	1.3
160.08801	4.7
161.05925	1.6
161.09608	8.6
161.13237	16.0
171.11676	42.1
173.09630	1.7
174.10394	27.8
175.10732	1.7
189.09096	4.0
189.12720	100.0
190.06255	1.9
190.13113	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	189.1346
Annotation	L-NMMA
Peak:m/z	Relative Intensity
51.92265	0.4
57.04556	8.7
60.08161	6.4
67.05491	0.9
69.49466	2.4
70.06589	100.0
71.04983	2.3
71.06913	0.9
72.08154	5.6
74.07199	32.7
74.34529	0.4
81.29498	0.5
84.08140	25.4
88.07616	1.3
97.07645	0.6
98.06039	0.6
98.23478	0.8
112.08739	2.7
115.08681	6.7
116.07085	36.7
117.07408	0.7
126.10303	1.3
130.08633	8.7
133.09714	3.3
144.11311	17.1
144.13806	0.6
158.09264	5.7
171.12395	1.2
172.10776	6.2
189.13458	31.2
189.15921	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	189.1347
Annotation	Homoarginine
Peak:m/z	Relative Intensity
55.01875	1.2
55.05518	0.4
56.05029	1.7
56.96565	2.9
57.03436	2.0
57.04554	6.0
58.06601	0.5
59.05002	0.3
60.05648	4.6
60.08160	24.9
63.44184	0.3
67.05495	2.7
69.03426	0.7
69.07060	0.5
70.06588	78.7
71.01351	0.5
71.04987	1.4
71.06919	1.0
72.08150	7.5
73.02910	0.7
74.02431	0.5
74.07198	21.4
83.01308	0.4
84.08138	100.0
85.01406	0.3
85.06544	1.2
85.08475	1.1
86.09708	1.3
87.04442	1.7
88.07639	1.3
95.01385	0.5
97.07623	0.4
98.06054	0.8
98.97580	3.7
100.07613	0.4
101.02379	3.4
102.09193	0.4
103.02437	0.9
111.00739	0.3
112.08719	2.7
113.02448	0.3
113.07117	0.6
114.09164	0.4
115.03925	3.2
115.08683	4.7
115.09476	0.6
116.00291	0.3
116.07086	23.9
116.98618	3.9
118.08676	0.3
119.01936	1.3
121.01643	0.7
126.10278	1.0
129.01837	0.5
130.08633	40.9
131.08884	0.3
133.09700	1.8
134.99658	2.2
139.02696	0.4
144.11302	10.1
144.13812	2.7
146.01187	0.5
147.11667	0.4
153.00714	0.6
157.01299	2.8
158.09239	3.8
158.12814	0.6
161.07108	0.4
171.12466	0.4
172.10800	4.8
175.02293	0.3
189.04330	0.4
189.06737	1.1
189.13455	20.5
189.15985	14.9
189.17751	0.6
190.13721	0.4
207.05528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1596
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
55.05501	0.4
56.05028	1.5
58.06591	0.3
60.08157	23.3
67.05498	2.8
70.06583	1.2
71.96475	0.2
74.02451	0.5
74.07193	0.4
84.08132	100.0
85.06537	1.3
85.08456	0.6
86.09713	0.8
101.90275	0.3
112.89598	0.3
114.89349	0.3
116.07104	0.4
116.33341	0.2
130.08624	37.0
131.08983	0.4
132.17050	0.3
144.13814	2.4
148.15352	0.3
165.35423	0.3
172.10463	0.3
189.15950	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05507	9.2
55.38087	1.1
56.63479	1.1
57.07084	1.3
67.05502	11.8
69.07070	5.8
69.43460	1.3
70.17327	2.7
79.05490	12.2
81.07052	47.8
83.08611	3.0
91.05474	19.5
93.07044	19.6
95.04968	3.4
95.08601	49.0
97.10111	1.5
98.22812	1.4
105.07023	43.4
107.08587	28.2
109.10155	16.0
115.05405	1.2
117.06996	3.4
119.08572	52.2
121.10121	10.3
130.73166	1.2
131.08513	7.0
133.10118	60.9
145.10135	7.1
146.10826	2.5
147.11670	35.4
148.19646	1.3
156.09372	2.1
159.11661	1.9
160.12477	2.7
161.13258	14.0
171.11728	2.1
177.31430	1.1
189.12761	7.6
189.16376	100.0
190.16650	3.6
204.46083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03930	1.4
55.05503	9.5
55.59792	0.9
57.07071	1.3
67.05500	10.3
69.03403	1.0
69.07066	11.1
69.89370	3.2
79.05477	8.2
81.07049	46.9
82.99872	1.0
83.08624	4.7
91.05467	18.9
93.07030	16.6
95.04958	1.7
95.08598	45.7
97.10126	1.0
98.22715	1.4
105.07019	65.4
106.07338	1.5
107.07840	1.6
107.08578	23.3
109.06498	1.0
109.10149	15.5
117.07014	2.7
119.08568	63.2
120.08920	1.1
121.10139	11.0
129.07086	1.3
131.08557	9.1
133.10117	91.2
134.10500	1.5
141.32428	0.9
143.08502	1.8
145.10115	8.2
146.10852	3.4
147.11673	43.7
156.09383	1.2
159.11716	2.1
160.12466	3.2
161.13243	13.9
171.11639	1.6
174.14052	2.0
189.12746	6.5
189.16376	100.0
190.16701	2.3
191.45648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0433
Annotation	Tricyclazole
Peak:m/z	Relative Intensity
53.23009	0.2
56.06641	0.2
69.19988	0.4
69.20388	0.7
79.05502	0.3
81.07056	0.3
91.05495	0.2
92.05005	0.3
98.22733	0.4
105.07027	0.4
107.04949	0.4
107.08591	0.6
109.01106	0.9
118.06541	0.2
118.35205	0.2
119.06039	0.3
119.08625	0.2
123.01250	0.2
125.31137	0.2
125.96812	0.2
127.10046	0.2
133.10112	0.6
136.02156	8.8
147.04376	0.2
149.02336	0.2
153.94539	0.2
163.03242	24.7
164.03493	0.7
168.62210	0.2
173.13336	0.3
177.67917	0.2
190.04326	100.0
191.04655	2.2
191.14339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19448	0.3
53.72808	0.2
55.01857	0.3
56.05025	0.5
58.06594	1.3
58.99580	1.1
65.03932	0.2
66.42336	0.2
70.06580	1.2
71.42073	0.2
71.99088	0.3
72.08150	1.9
75.94388	0.2
84.04498	0.3
84.08124	0.8
85.65562	0.2
86.09722	0.4
88.03970	0.5
90.77252	0.2
90.96755	100.0
91.05466	0.4
91.96636	0.3
92.04975	0.7
95.05003	0.2
95.08606	0.3
98.07166	6.2
99.00914	0.3
100.02193	3.1
100.08730	1.7
100.41265	0.3
106.06551	0.3
112.03916	0.3
114.10280	14.2
116.98574	0.3
117.04826	1.9
118.06547	0.4
119.08598	0.2
120.08091	1.0
121.06469	0.2
130.06546	0.8
130.08607	0.3
133.07642	0.3
133.10083	0.4
134.04764	0.5
142.04326	5.0
144.08081	0.4
145.07657	0.3
145.10074	0.2
146.07451	2.4
148.02477	9.9
148.03664	0.5
149.02280	1.3
162.03127	0.3
162.05505	0.7
166.04927	0.7
173.07056	0.2
175.07355	0.9
190.04659	40.2
190.09709	6.2
191.05017	0.5
191.08325	0.3
191.10211	0.2
191.14285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0975
Annotation	N'-Nitrosoanatabine
Peak:m/z	Relative Intensity
56.96568	0.5
58.06594	0.4
65.03931	1.4
69.07093	0.4
69.84279	0.8
72.04501	1.5
76.26712	0.3
77.03921	0.6
79.05488	0.8
89.03897	0.3
91.05470	1.2
92.05000	7.0
95.04948	1.0
98.97558	0.5
104.04978	1.8
105.03322	0.4
105.04495	1.4
106.05337	1.6
106.06543	3.5
116.04935	0.7
116.98625	0.5
117.04830	0.3
117.05717	0.5
117.07010	0.3
118.05284	3.8
118.06535	4.8
119.07230	0.3
121.06478	0.4
130.06529	3.9
130.07475	0.5
130.12253	1.4
131.00233	0.4
131.07300	1.6
132.06847	0.8
132.08052	0.4
133.07600	9.3
134.04744	10.4
136.06183	0.6
144.08051	2.7
145.07564	0.4
146.05995	0.6
147.06763	0.9
147.55460	0.3
148.06180	0.8
149.01227	0.7
149.02322	1.1
162.05432	0.5
172.03932	0.5
172.07562	0.5
174.06627	2.2
175.07394	14.2
190.09735	100.0
191.10074	1.9
191.11726	0.6
191.14264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.81514	0.4
50.99070	0.7
57.07074	25.2
59.99109	3.9
61.33173	0.4
61.81596	0.4
62.99057	0.6
69.40189	0.4
70.85951	0.7
76.37113	0.4
78.00150	37.9
81.50827	0.4
84.08141	0.9
86.09192	0.6
86.09705	8.8
88.02214	0.7
92.01685	1.2
99.14244	0.4
116.05308	1.3
130.98965	0.3
133.10120	0.5
134.06343	43.0
135.06732	0.4
148.07930	3.3
149.02357	0.9
167.62784	0.4
190.12592	100.0
190.97685	1.9
191.12929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05508	3.4
57.04553	0.6
57.07074	0.3
58.06581	0.3
60.05645	1.5
60.08154	0.7
62.26857	0.3
68.05038	0.8
70.06589	100.0
71.04990	7.0
71.06110	14.6
71.06923	4.6
72.04504	0.4
74.07196	0.8
75.07563	0.3
79.19167	0.3
84.08135	1.9
84.21854	0.3
85.06538	13.3
85.08478	1.1
86.37092	0.3
88.07626	2.0
88.08765	2.0
91.05493	0.4
98.97594	0.6
102.09199	1.6
116.07091	0.3
116.98634	0.3
117.07453	0.5
118.08591	0.4
119.01949	0.6
130.08675	0.9
131.08989	1.3
134.99623	0.6
140.11816	7.6
141.12260	0.4
143.28984	0.3
144.10216	0.6
148.09682	0.3
149.01212	0.5
149.02364	0.4
158.12878	31.3
158.83855	0.4
159.13210	0.5
162.11339	0.5
172.14439	12.5
173.11249	0.3
173.14835	0.3
185.02930	1.5
190.06364	0.5
190.08583	0.4
190.13818	1.8
190.15581	7.4
191.04236	0.5
191.11856	0.4
191.14268	0.7
203.04082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30847	0.8
56.96558	8.1
57.04539	1.2
58.31342	0.8
58.98758	0.7
60.08160	1.7
62.06084	4.4
62.98251	9.2
70.06583	7.8
71.06927	4.8
74.06052	1.4
74.07205	1.4
75.07512	1.0
78.95621	3.1
84.04489	4.9
84.08134	4.5
85.08466	2.8
94.93001	3.2
98.09705	1.0
98.97565	2.7
103.07888	0.9
116.07104	1.7
116.98578	1.4
117.07407	2.3
128.07042	2.3
130.04994	1.3
130.08614	1.5
131.00146	2.7
131.08960	1.3
145.11635	1.1
149.01218	7.3
167.02267	1.7
173.02969	20.1
174.07661	1.4
174.14815	1.2
190.13817	0.9
191.04016	100.0
192.15935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.6
56.96560	81.3
59.03439	4.0
69.03441	11.3
69.07062	8.3
70.06602	6.8
71.41756	4.2
72.93776	17.6
74.97621	4.2
79.05493	6.3
79.31107	4.0
81.07049	5.5
83.04974	8.1
84.04495	4.9
84.08128	5.9
84.15221	4.8
90.94822	18.4
91.05469	8.7
98.97575	31.0
100.99149	4.4
107.08603	17.6
109.10175	5.7
112.99113	5.4
116.98631	15.6
119.00188	4.0
119.08576	6.2
120.08113	10.8
121.10145	13.6
131.00145	23.6
131.08537	7.6
131.97433	6.8
132.95831	20.4
133.10117	6.1
134.98189	35.8
134.99677	5.3
135.08069	7.5
136.06215	6.0
136.93159	5.0
145.10226	5.3
146.06033	10.1
146.09583	5.0
147.11682	5.3
149.01213	100.0
149.94038	4.7
149.96136	13.0
150.96884	33.4
154.94112	6.7
160.05064	6.1
167.02287	48.4
167.97177	14.3
173.13248	10.8
179.11168	3.7
186.96776	19.4
189.77803	4.6
190.98811	6.8
191.02287	6.8
191.04655	9.2
191.08189	13.6
191.11906	26.1
191.14294	48.9
191.97105	5.0
192.08691	9.5
204.97888	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	191.0702
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
52.59356	0.5
52.79458	0.5
53.03926	0.6
55.01872	2.6
67.05511	0.5
68.99787	0.7
69.03424	1.9
79.05482	3.1
81.03415	0.9
82.45492	0.4
91.05471	11.1
93.07011	2.3
95.04971	1.4
103.05466	3.9
105.03360	1.4
105.07023	3.4
107.04967	2.3
107.08591	3.7
109.02853	1.4
109.06502	1.1
115.05449	19.4
116.06230	1.0
117.07014	44.6
117.32979	0.5
118.06554	0.6
118.07346	0.7
119.04961	0.8
119.08576	0.8
121.06510	4.4
123.04408	1.8
127.05428	2.2
128.06247	0.7
130.04156	0.9
131.04915	6.4
131.08536	1.2
132.95819	0.7
133.06474	1.6
133.10117	0.6
135.04388	0.9
135.08040	8.1
143.08519	0.5
144.05722	1.1
145.06482	52.4
145.10107	3.0
146.05917	0.8
146.06915	0.9
147.04384	2.3
147.11707	0.6
148.05208	2.6
148.11212	0.9
149.01253	0.9
149.05984	7.7
150.96844	1.2
155.04865	1.7
155.06030	5.5
158.07301	0.5
160.05199	5.5
161.05975	3.8
163.03870	1.7
163.07532	24.5
173.05988	16.3
173.09526	2.9
173.13377	0.8
176.04686	3.7
191.07010	100.0
191.10471	5.5
191.14212	4.1
192.07382	2.0
196.99512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
55.09864	1.2
60.04519	6.9
61.01148	14.4
68.71935	1.1
69.63726	4.8
71.77550	1.3
72.04514	51.1
78.03787	33.7
78.04225	2.4
86.06046	6.0
91.05475	2.1
93.06995	1.3
101.20174	1.1
102.03133	0.9
102.03760	28.2
103.02161	100.0
105.07023	1.7
107.08645	2.0
114.03786	16.4
114.05522	92.2
115.02138	1.2
117.07024	1.6
119.08646	1.3
120.04798	75.7
121.06509	2.0
121.10165	1.2
122.92888	1.1
131.06390	13.2
131.08551	9.6
132.04774	20.5
132.05627	2.3
133.06371	1.7
133.10188	1.4
145.10141	4.2
149.07436	51.5
149.08585	2.7
149.09441	1.9
153.76064	1.2
160.05057	99.4
162.05885	1.9
173.13237	1.6
174.05865	12.8
185.55995	1.3
191.06789	2.1
191.08479	27.6
191.14337	4.4
192.07678	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.13941	0.7
53.03936	1.2
55.01858	1.5
55.05503	4.8
57.03427	1.9
57.07054	1.3
59.04992	1.6
65.03925	0.9
67.05167	0.8
67.05500	11.7
69.03407	3.2
69.07057	7.2
70.81057	1.0
71.04985	0.9
77.03931	1.2
79.05485	15.3
81.03416	1.5
81.07047	13.9
83.04957	2.6
83.08592	1.9
84.40361	0.7
85.06532	1.0
86.50534	0.7
91.05471	25.9
93.07035	18.6
95.04952	5.6
95.08017	1.3
95.08597	18.8
97.06528	5.7
103.05451	1.6
105.04495	1.2
105.07023	24.7
107.04954	1.4
107.08583	22.3
109.06514	3.6
109.10120	0.9
111.08044	0.8
115.05441	2.8
116.06219	1.5
117.07008	14.0
119.08568	22.4
121.06512	4.1
121.10140	9.1
123.08046	1.3
128.06198	1.7
129.06969	6.7
130.07764	5.3
131.08556	33.8
132.08899	0.9
133.06477	1.7
133.10115	11.8
135.08064	5.0
135.11690	5.7
142.39571	0.8
143.08546	6.9
144.09294	3.1
145.06419	0.8
145.10112	30.7
146.10442	1.0
147.08022	2.6
147.11681	8.2
148.08804	1.4
149.09581	6.6
149.13268	2.9
151.51074	0.8
155.08479	1.2
156.09352	1.0
158.07249	1.0
158.10902	5.7
159.10452	0.7
159.11647	3.9
161.09583	3.0
161.13264	2.9
162.10435	1.5
163.11165	8.8
163.14786	8.0
165.21545	0.7
173.09610	2.1
173.13245	35.7
176.11972	3.9
191.08527	6.1
191.10646	13.0
191.14287	100.0
192.14601	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10162	0.6
50.29073	0.7
55.01870	1.3
55.05507	5.7
56.96551	1.2
57.03410	1.0
57.07064	1.9
65.03924	0.9
67.05505	4.1
67.26071	0.8
69.03423	12.6
69.07062	5.7
69.17841	3.9
69.18250	1.7
71.04976	1.8
77.03882	0.8
79.05486	8.9
81.07056	4.3
83.04976	10.5
83.08606	2.3
85.06517	1.6
91.05476	20.1
93.07041	9.0
95.04943	2.7
95.08600	3.5
97.06515	4.2
102.04710	0.9
103.05444	3.3
105.07025	25.3
107.04952	1.4
107.08586	48.5
108.08937	0.7
109.06510	3.5
109.10130	1.7
111.08054	0.8
115.05448	2.2
116.06221	1.5
117.07018	8.1
118.04150	1.6
119.06077	1.2
119.08576	11.4
121.06520	6.3
121.10134	16.4
123.08084	2.6
129.07011	4.1
130.04111	0.9
130.07771	2.1
131.04890	3.4
131.08557	56.5
132.05588	1.6
132.08923	1.0
133.06519	1.8
133.10117	69.8
134.10490	1.0
135.08047	11.7
135.11676	2.7
143.08522	5.5
144.09290	2.3
145.10118	28.6
147.07979	1.7
147.11662	5.9
148.05147	1.7
148.08847	1.4
149.01215	1.0
149.05975	0.9
149.09618	8.6
149.13231	11.1
158.10916	7.7
160.05049	43.4
161.09656	3.7
163.06355	0.7
163.07495	4.3
163.11139	2.9
163.14777	1.3
173.09601	3.6
173.13240	28.1
176.04654	1.9
176.11940	1.3
191.06876	3.6
191.10573	11.3
191.14290	100.0
192.03200	3.3
192.07651	6.2
192.14661	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03938	0.7
55.01865	1.0
55.05509	3.3
56.96546	1.6
57.03406	1.2
57.07062	0.7
59.04988	1.5
59.67099	0.6
67.05507	4.1
67.15192	0.8
69.03428	3.1
69.07053	4.4
70.92692	1.1
71.04971	2.1
79.05494	7.5
81.07063	5.5
83.04964	2.4
83.08599	2.3
85.06539	1.7
90.94849	0.7
91.05472	14.6
93.07045	8.3
93.35446	0.6
95.04959	2.8
95.08604	5.9
97.06516	3.6
103.05456	2.9
105.07020	25.8
107.04946	1.1
107.08580	17.5
107.17756	0.7
107.55244	0.6
109.06519	3.8
109.10146	3.2
111.08064	0.8
115.05426	2.0
116.04916	0.8
116.06235	1.2
117.07013	5.5
118.04150	1.2
118.06530	4.3
119.08577	10.7
120.08089	0.9
120.83905	0.7
121.06512	3.6
121.10135	10.9
123.08044	2.7
125.05991	0.7
128.06219	1.0
129.07013	3.1
130.04076	0.9
130.07750	1.6
131.00079	0.8
131.04897	2.6
131.08559	39.2
132.05550	2.6
132.08922	0.9
133.06421	1.0
133.10115	50.8
134.10440	1.0
135.08037	8.4
135.11667	2.0
143.08557	5.8
144.09322	2.2
144.23148	0.7
145.06570	0.8
145.07619	3.8
145.10106	19.0
145.83922	0.7
146.05963	1.6
147.04491	0.7
147.08038	1.4
147.11656	7.2
148.05190	0.9
148.08806	0.7
149.01253	1.5
149.09607	7.0
149.13234	11.7
150.02615	0.9
150.96916	1.4
158.10890	7.3
159.08012	0.9
160.05048	100.0
161.09561	0.6
163.03912	1.1
163.07501	1.3
163.11200	2.0
163.14806	1.9
164.13937	0.6
167.55365	0.6
171.11664	1.2
173.07172	3.9
173.09552	1.2
173.13237	30.8
174.07529	0.8
176.04646	1.0
176.12038	0.8
191.08200	16.5
191.10339	3.9
191.11847	2.4
191.14291	29.8
192.07648	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01873	4.6
55.05496	1.2
57.07064	0.6
67.05472	0.8
69.06711	0.9
69.07066	13.7
69.07447	0.8
77.03901	0.7
79.05499	2.5
79.05878	0.4
81.07037	1.4
83.04965	1.6
83.08599	0.4
86.88789	0.5
90.04660	0.6
91.05467	4.7
93.07040	12.6
95.01337	0.5
95.04946	1.4
95.08597	2.8
97.06503	1.8
97.62867	0.4
98.23528	0.9
102.04684	0.9
103.05475	5.1
105.03427	0.5
105.07027	3.8
107.04970	0.6
107.08589	9.2
109.06523	0.9
109.10140	1.2
115.05441	0.5
117.07006	1.7
118.04168	2.9
119.04919	0.5
119.08575	2.3
121.06502	17.3
121.10143	8.1
123.00787	1.3
123.08056	2.0
130.04118	1.8
131.04921	4.4
131.08546	4.3
133.02893	0.6
133.05106	0.4
133.06427	0.6
133.10115	5.4
135.08044	8.1
135.11667	3.6
137.09596	1.5
143.08534	0.6
145.10121	2.2
146.03609	0.9
147.04379	0.7
147.11679	24.1
148.05145	3.2
149.09602	3.1
149.13245	8.2
158.10927	1.6
161.09612	5.3
162.10271	0.5
163.07516	3.9
163.11140	0.7
163.14801	1.3
173.05954	0.8
173.13269	8.6
176.04723	2.6
176.11942	2.9
191.06982	4.5
191.14299	100.0
192.14639	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02383	0.7
53.03919	1.0
55.05501	6.9
57.07060	2.1
59.04978	0.8
67.05481	2.8
69.03419	11.5
69.07072	5.4
70.75380	1.2
71.04972	1.7
76.71845	0.8
79.05487	8.7
81.07040	2.8
83.04970	9.8
83.08605	2.1
85.06532	2.3
91.05468	13.2
93.07034	9.1
95.04954	1.7
95.08592	4.8
97.06516	4.5
103.05470	1.6
105.07014	23.2
107.04949	1.1
107.08578	58.1
108.08860	1.1
109.06506	3.1
109.10141	2.2
111.08050	0.8
115.05466	1.3
116.06233	1.6
117.06994	3.6
118.07811	1.3
119.06057	1.4
119.08572	9.0
121.06496	4.2
121.09254	1.5
121.10123	19.1
123.08035	3.9
123.11676	0.9
129.07016	2.3
130.07729	1.0
131.04947	0.7
131.08546	28.2
132.05569	1.9
133.10109	76.9
134.10434	1.0
135.08022	8.3
135.11665	1.8
136.08772	0.9
143.08565	4.0
144.09291	1.6
145.10107	10.9
147.08080	1.4
147.11682	6.8
148.08835	1.1
149.09627	4.7
149.13246	12.0
158.10873	9.3
160.05043	65.1
161.09596	3.6
163.07516	1.2
163.11159	1.4
163.14781	2.6
163.27460	0.7
173.09612	1.3
173.13243	32.1
176.11902	1.3
191.10588	3.2
191.14282	100.0
192.03201	2.2
192.07658	12.1
192.09265	1.0
192.14651	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.7
55.05494	5.8
56.96551	1.7
57.03428	2.5
57.07046	2.0
59.04986	2.0
65.03922	1.9
66.04718	2.3
67.05507	7.6
69.03401	3.9
69.07071	7.2
69.21457	7.7
70.13461	1.1
71.04976	2.8
73.93821	1.4
77.03893	1.5
79.05477	15.0
81.07053	7.3
83.04970	4.7
83.08601	2.4
85.06535	2.1
87.72821	1.3
90.04688	8.2
90.96758	6.0
91.04941	2.2
91.05475	28.7
92.06264	1.3
93.07033	14.7
95.04963	7.1
95.08603	6.1
97.06531	5.7
102.04672	23.2
103.05462	53.8
105.03380	2.9
105.07021	45.2
106.99921	1.2
107.04948	5.4
107.08579	26.5
107.09259	2.2
109.06521	7.5
109.10149	6.9
115.05431	6.8
116.06234	2.1
117.06995	12.7
118.04151	52.0
118.04993	2.9
118.06519	1.6
118.07827	1.5
119.04899	4.5
119.08572	18.3
120.05722	3.1
120.08078	2.5
121.06505	5.1
121.10136	20.0
123.08047	4.3
123.11724	1.7
128.06212	1.5
129.06956	6.2
130.04132	43.7
130.07759	4.4
131.03955	2.7
131.04926	45.4
131.06973	2.9
131.08556	56.7
132.05605	5.9
133.02853	10.1
133.06424	3.3
133.10114	79.9
134.10442	1.5
135.04385	1.8
135.08034	16.3
135.11661	3.5
137.09595	2.3
143.08539	10.4
144.09303	2.8
145.06482	5.8
145.07443	1.4
145.08423	2.1
145.10112	30.7
146.03612	10.5
146.05986	2.4
147.04410	11.7
147.07997	3.3
147.11674	9.8
148.05200	18.8
149.01259	1.9
149.09627	12.6
149.13258	17.8
150.10361	2.9
158.03612	3.6
158.10886	10.9
160.05052	100.0
161.06035	1.6
161.09596	2.2
162.06754	1.3
163.07510	17.8
163.08727	2.2
163.11159	5.3
163.14819	3.3
167.25932	1.2
173.05922	10.1
173.08234	2.9
173.09602	6.3
173.13252	45.2
173.14786	2.3
176.04675	51.4
191.06982	53.5
191.09119	2.3
191.10486	14.3
191.11998	2.6
191.14294	56.2
192.07651	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05505	4.2
56.96546	1.2
57.07066	1.4
67.05498	3.0
69.03427	12.4
69.07063	5.8
69.18815	4.8
71.04984	2.2
79.05492	6.4
81.07052	4.5
82.90604	1.0
83.04981	11.2
83.08613	2.1
85.06551	1.7
90.96758	47.5
91.05476	12.7
93.07050	7.2
95.01312	1.8
95.04955	2.5
95.08597	4.1
97.06519	3.5
102.04680	0.9
103.05450	10.6
105.03362	1.1
105.07025	22.7
107.04938	1.3
107.08591	40.1
107.45924	0.8
108.49236	0.9
109.06501	3.0
109.10126	2.8
111.08081	1.7
115.05453	2.2
116.06216	1.3
117.06987	3.6
118.04163	2.3
118.06624	1.2
119.04919	1.0
119.06064	1.1
119.08567	8.7
121.06496	3.2
121.10139	15.7
123.08062	4.3
128.06293	0.8
129.06967	1.6
130.04094	0.8
131.04935	6.8
131.08557	28.0
132.05591	2.3
133.02838	2.3
133.06412	2.8
133.10120	70.6
134.10454	1.4
135.08057	11.9
135.11646	2.1
143.08557	4.3
144.09341	2.4
145.06470	1.4
145.10083	11.6
146.06013	1.5
146.07173	1.2
147.08046	1.7
147.11662	7.1
148.05199	5.1
148.08763	1.3
149.01227	1.0
149.05983	1.3
149.09608	3.3
149.13243	10.4
152.80333	0.9
158.10875	9.6
160.05054	100.0
161.09570	4.0
161.13116	1.1
163.07547	7.5
163.11163	2.2
163.14803	1.7
173.09621	1.3
173.13254	31.4
176.04614	1.8
176.12025	1.1
191.03024	1.6
191.06856	7.5
191.10530	2.1
191.14287	97.1
192.07646	16.2
192.14624	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46609	0.7
55.01867	1.8
55.05513	4.7
57.07051	0.9
60.79728	0.9
65.03945	0.8
67.05502	8.5
69.03426	11.7
69.07074	10.1
71.04979	1.7
76.13818	0.7
76.29083	0.8
79.05494	8.7
81.07059	11.5
83.04980	9.6
83.08604	2.6
85.06539	1.5
89.51512	0.8
89.91794	0.8
91.05475	10.2
93.07036	12.0
95.04969	10.5
95.08604	17.9
97.06518	5.5
102.04672	1.4
103.05470	6.3
104.20077	0.9
105.07030	13.5
107.04948	3.1
107.08595	30.3
109.06526	7.8
109.10163	7.1
111.08068	2.8
115.05474	2.0
117.07009	3.1
118.04134	2.4
119.08562	7.8
120.08089	1.4
120.25264	0.9
121.06509	16.3
121.10138	26.1
123.08049	6.2
129.06949	2.4
130.04152	3.5
130.07813	1.5
131.04916	6.3
131.08568	15.2
133.02829	1.7
133.06525	2.2
133.07585	0.9
133.10127	16.9
135.08047	19.0
135.11696	6.7
137.09587	1.0
143.08566	5.5
144.09282	1.8
145.06438	1.1
145.10109	9.7
147.04347	1.2
147.08037	3.3
147.11684	11.0
148.05194	3.0
148.08817	5.3
149.09624	13.3
149.13242	10.4
150.57997	0.8
158.10880	6.1
160.05040	1.8
161.09618	1.0
163.07553	4.1
163.11119	1.5
163.14812	5.8
164.03601	1.4
173.11841	1.5
173.13266	22.3
173.14771	1.2
176.04678	3.1
191.04741	5.6
191.06834	6.1
191.11673	3.7
191.14305	100.0
192.14697	1.5
201.88710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.6
57.07065	1.3
64.63147	1.2
65.03947	2.3
67.05507	10.3
67.94123	1.1
69.03431	11.8
69.07074	11.8
69.20835	4.1
69.21240	3.2
71.04978	3.3
79.05489	9.9
81.07039	10.8
83.04969	8.5
83.08605	3.8
85.06502	1.7
88.52287	1.2
91.05466	14.3
93.07023	11.9
95.04967	10.0
95.08591	14.8
97.06523	6.9
102.04637	1.5
103.05446	10.7
105.03362	1.2
105.04485	1.9
105.07005	19.4
107.04958	2.3
107.08587	30.4
109.06494	9.3
109.10142	10.7
111.08071	2.1
115.05423	1.3
117.06998	4.4
118.04149	3.7
119.04966	1.4
119.06139	1.4
119.08563	9.2
120.08089	1.9
121.06494	15.4
121.10143	27.8
122.10511	1.4
123.08028	8.0
129.07053	1.7
130.04143	2.7
131.04941	6.2
131.08549	21.8
133.02794	1.3
133.06448	1.8
133.10121	22.7
135.08029	22.1
135.11642	5.9
137.02451	1.5
137.09555	1.7
143.08548	5.0
144.09401	1.6
145.07527	1.3
145.10098	12.0
146.05966	2.0
147.08035	2.8
147.11662	13.3
148.05179	4.4
148.08784	5.0
149.09596	14.2
149.13222	7.6
155.19998	1.4
158.10953	7.2
160.05042	10.9
161.09572	3.7
162.10406	1.2
163.07468	4.4
163.11174	1.7
163.14824	4.8
164.03511	5.7
173.09572	1.5
173.13243	23.0
176.04652	3.6
177.96246	1.3
191.04599	28.8
191.06956	6.7
191.08461	1.9
191.10484	3.3
191.11722	4.3
191.14290	100.0
192.03935	3.0
192.14589	2.9
205.46149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05502	5.8
56.84678	1.3
57.03416	1.6
57.07066	2.7
58.58965	1.3
59.05003	2.0
67.05507	2.6
69.03427	14.4
69.07058	6.0
71.04993	1.5
77.03933	1.6
79.05499	11.5
81.07040	5.0
83.04979	13.7
85.99039	1.3
90.04691	2.7
91.05474	17.1
92.06233	1.6
93.07032	9.3
95.04964	3.8
95.08607	5.1
97.06511	3.0
98.22717	5.2
101.70453	1.2
102.04659	4.2
103.05467	48.8
105.03366	4.1
105.04497	1.7
105.07018	18.6
107.04937	5.2
107.08593	59.7
109.06496	2.9
109.10121	3.0
115.05445	5.2
117.07004	5.2
118.04164	12.7
119.04940	4.6
119.08585	6.9
120.05714	3.6
121.06494	5.3
121.10155	17.0
123.08050	2.3
130.04123	4.3
130.07785	1.5
131.04930	31.4
131.08568	16.5
132.05769	2.4
133.02811	9.2
133.06467	5.0
133.10124	32.0
135.08043	16.1
135.11691	3.2
143.08574	2.9
145.06497	3.2
145.10138	10.1
146.03584	4.4
147.04370	2.5
147.11705	6.7
148.05182	27.9
148.06367	1.6
149.09576	3.2
149.13242	8.1
158.10930	5.8
160.05051	2.9
161.09583	5.4
163.07545	36.2
163.11198	1.9
169.10449	1.4
173.05971	4.1
173.09540	1.9
173.13252	22.0
176.04684	9.1
183.26463	1.4
191.06973	32.5
191.10521	2.9
191.14301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01865	1.0
55.05509	3.3
56.96546	1.6
57.03406	1.2
57.07062	0.7
59.04988	1.5
59.67099	0.6
67.05507	4.1
67.15192	0.8
69.03428	3.1
69.07053	4.4
70.92692	1.1
71.04971	2.1
79.05494	7.5
81.07063	5.5
83.04964	2.4
83.08599	2.3
85.06539	1.7
90.94849	0.7
91.05472	14.6
93.07045	8.3
93.35446	0.6
95.04959	2.8
95.08604	5.9
97.06516	3.6
103.05456	2.9
105.07020	25.8
107.04946	1.1
107.08580	17.5
107.17756	0.7
107.55244	0.6
109.06519	3.8
109.10146	3.2
111.08064	0.8
115.05426	2.0
116.04916	0.8
116.06235	1.2
117.07013	5.5
118.04150	1.2
118.06530	4.3
119.08577	10.7
120.08089	0.9
120.83905	0.7
121.06512	3.6
121.10135	10.9
123.08044	2.7
125.05991	0.7
128.06219	1.0
129.07013	3.1
130.04076	0.9
130.07750	1.6
131.00079	0.8
131.04897	2.6
131.08559	39.2
132.05550	2.6
132.08922	0.9
133.06421	1.0
133.10115	50.8
134.10440	1.0
135.08037	8.4
135.11667	2.0
143.08557	5.8
144.09322	2.2
144.23148	0.7
145.06570	0.8
145.07619	3.8
145.10106	19.0
145.83922	0.7
146.05963	1.6
147.04491	0.7
147.08038	1.4
147.11656	7.2
148.05190	0.9
148.08806	0.7
149.01253	1.5
149.09607	7.0
149.13234	11.7
150.02615	0.9
150.96916	1.4
158.10890	7.3
159.08012	0.9
160.05048	100.0
161.09561	0.6
163.03912	1.1
163.07501	1.3
163.11200	2.0
163.14806	1.9
164.13937	0.6
167.55365	0.6
171.11664	1.2
173.07172	3.9
173.09552	1.2
173.13237	30.8
174.07529	0.8
176.04646	1.0
176.12038	0.8
191.08200	16.5
191.10339	3.9
191.11847	2.4
191.14291	29.8
192.07648	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03944	1.0
55.01865	3.1
59.04950	0.8
61.36647	0.9
62.79941	0.9
70.48787	1.8
71.51885	0.9
77.03468	0.9
77.03911	2.2
79.05488	14.6
84.39101	0.8
91.05481	11.4
92.05778	1.2
95.04940	3.0
100.11291	2.1
103.04834	1.6
103.05459	12.7
104.06264	1.1
105.07026	94.5
105.10526	0.8
106.07359	1.3
107.04890	1.0
109.06528	5.3
115.05447	25.1
116.01301	0.8
117.06989	2.2
118.04150	2.1
119.08579	0.9
122.07268	3.2
131.04921	5.6
132.05716	2.5
133.06485	59.0
134.06828	1.2
135.08084	1.9
137.05968	3.9
137.09579	3.7
143.04932	12.7
147.08011	2.5
149.04858	1.3
149.05972	15.8
150.06761	19.8
157.95796	0.9
159.20973	1.0
160.05190	8.0
161.05969	33.0
162.06493	1.0
165.09109	100.0
166.09433	1.7
175.07541	12.6
178.06259	2.1
178.14734	0.9
192.17430	1.0
193.08592	34.6
193.17784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01861	3.5
56.07724	0.7
69.49133	3.8
77.03917	1.8
79.05490	13.3
81.53600	0.7
86.79078	0.7
89.03922	0.7
90.04685	2.4
91.05488	2.5
95.04955	2.5
97.90209	0.7
103.05460	14.0
104.06257	1.9
105.07027	100.0
106.07361	1.7
115.05458	21.0
118.04155	12.1
119.08589	0.7
131.04895	4.4
132.05701	2.4
133.06485	79.7
134.06873	1.5
135.11781	1.0
140.41762	0.7
143.04974	1.6
143.06013	6.7
147.11714	1.0
149.05933	1.1
161.05975	73.1
162.06339	2.1
166.03633	0.8
178.06294	1.1
193.08604	23.4
194.18999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03936	0.3
55.01867	2.5
56.80663	0.2
67.05508	0.2
68.99768	0.2
69.60300	0.5
77.03928	0.9
79.05486	9.8
80.05815	0.2
82.44284	0.2
91.05463	1.9
95.04967	1.7
95.08617	0.2
98.23417	0.2
103.05466	5.7
105.04552	0.6
105.07021	48.5
106.07350	0.7
107.04952	0.6
107.08579	0.3
109.06521	0.2
110.03654	0.4
111.04418	0.3
115.05444	4.9
118.04182	0.2
119.04952	0.3
122.03611	0.4
122.07252	0.5
124.05210	0.3
125.05991	0.8
126.74300	0.2
131.04947	0.2
133.06477	66.5
134.06789	1.5
135.04422	0.4
137.05965	6.5
137.09610	0.7
143.04938	1.8
143.05983	0.3
150.06775	0.6
160.05226	0.3
161.05962	100.0
162.06305	1.9
163.03879	0.7
165.09105	19.7
166.09410	0.5
178.00813	0.3
178.06290	0.9
178.07626	0.3
193.08582	21.9
194.08948	0.4
194.15430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.36205	1.1
53.03928	2.7
53.35040	1.2
55.01856	1.3
55.05260	1.7
55.05510	24.5
57.07070	6.2
59.04992	3.1
62.61383	1.1
67.05166	1.8
67.05500	30.7
69.03432	15.0
69.06713	1.6
69.07066	23.9
69.83463	4.6
71.04984	5.2
77.03915	1.5
79.05489	12.5
80.99072	1.2
81.07053	35.5
83.04978	27.8
83.08615	13.7
85.06538	5.5
87.08083	1.6
87.80376	1.2
91.05476	13.3
93.07040	25.6
95.04953	4.9
95.08603	70.5
97.06517	4.4
97.10152	3.3
99.08073	3.2
99.37508	1.3
103.05450	4.5
105.03393	1.2
105.07022	47.1
107.07850	1.7
107.08588	60.4
109.06516	20.8
109.10150	81.6
111.08103	11.5
115.05436	4.0
117.07006	2.7
118.04145	2.9
119.08575	66.3
121.10140	38.4
122.09641	2.3
123.08061	41.3
123.11691	12.3
125.09604	3.9
131.04951	2.1
131.08531	2.2
133.02849	1.8
133.06503	16.4
133.10121	48.7
135.11685	95.2
135.16695	1.2
136.12038	2.0
137.09612	38.2
137.38914	1.3
138.10379	3.2
143.06047	1.7
145.10083	2.4
147.04317	1.6
147.11702	5.4
149.13240	22.4
151.11183	10.3
151.14804	10.0
160.12419	1.3
161.05977	17.1
165.12633	1.7
165.16373	3.2
165.96332	1.3
175.14809	47.6
178.02415	1.6
193.08653	6.2
193.15874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
54.11948	1.1
55.05507	5.8
57.07060	4.6
59.04992	1.0
62.14160	0.9
67.05504	11.0
67.41858	0.9
69.06765	1.0
69.07070	12.1
69.22111	4.0
69.22514	2.2
71.04992	1.4
76.21826	1.0
79.05492	5.9
81.03404	8.6
81.07059	9.9
83.04977	1.6
83.08611	4.0
85.06544	1.3
89.75761	0.9
91.05488	10.1
93.07028	9.4
95.04945	4.3
95.08598	20.8
103.05460	3.3
104.92628	1.0
105.07024	38.9
107.08588	9.1
109.06516	2.0
109.10149	22.2
115.05420	6.5
117.06996	1.3
118.04144	2.1
119.08575	67.0
121.10137	4.9
122.26587	1.0
123.08030	4.1
123.11710	1.9
129.06998	1.1
131.08546	3.1
133.02847	1.2
133.06482	18.7
133.10120	80.7
134.10820	1.2
135.11685	20.3
137.09599	8.0
143.06056	1.5
145.10092	4.9
147.11681	19.5
149.05838	1.2
149.13240	6.1
151.11136	1.4
151.14798	4.0
159.11844	1.2
160.12460	4.7
161.05965	17.4
173.13222	1.2
175.14810	100.0
176.15170	1.9
177.28746	1.0
193.04961	1.5
193.08534	6.7
193.15901	17.5
194.15260	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	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11948	1.1
55.05507	5.8
57.07060	4.6
59.04992	1.0
62.14160	0.9
67.05504	11.0
67.41858	0.9
69.06765	1.0
69.07070	12.1
69.22111	4.0
69.22514	2.2
71.04992	1.4
76.21826	1.0
79.05492	5.9
81.03404	8.6
81.07059	9.9
83.04977	1.6
83.08611	4.0
85.06544	1.3
89.75761	0.9
91.05488	10.1
93.07028	9.4
95.04945	4.3
95.08598	20.8
103.05460	3.3
104.92628	1.0
105.07024	38.9
107.08588	9.1
109.06516	2.0
109.10149	22.2
115.05420	6.5
117.06996	1.3
118.04144	2.1
119.08575	67.0
121.10137	4.9
122.26587	1.0
123.08030	4.1
123.11710	1.9
129.06998	1.1
131.08546	3.1
133.02847	1.2
133.06482	18.7
133.10120	80.7
134.10820	1.2
135.11685	20.3
137.09599	8.0
143.06056	1.5
145.10092	4.9
147.11681	19.5
149.05838	1.2
149.13240	6.1
151.11136	1.4
151.14798	4.0
159.11844	1.2
160.12460	4.7
161.05965	17.4
173.13222	1.2
175.14810	100.0
176.15170	1.9
177.28746	1.0
193.04961	1.5
193.08534	6.7
193.15901	17.5
194.15260	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	194.1175
Annotation	Dihydrostrobiline
Peak:m/z	Relative Intensity
56.50190	0.4
65.00900	0.4
66.28593	0.4
67.05496	1.3
69.07058	0.5
71.43204	0.8
79.05467	0.6
81.03404	0.6
81.07068	1.0
90.63141	0.4
93.07054	1.0
105.07053	0.4
106.06571	1.2
107.07333	4.0
121.08863	2.7
121.10130	0.6
122.09668	1.2
134.06006	27.3
134.09587	0.9
135.06807	0.6
135.11670	1.0
148.07579	0.6
149.05969	0.7
150.05496	5.0
151.06273	75.8
152.06641	1.1
155.65300	0.4
159.11668	0.7
164.07072	1.6
165.07056	0.5
166.08626	73.9
167.08955	1.1
178.08609	1.1
179.09409	51.9
180.09650	1.0
194.11754	100.0
194.15355	11.6
195.12013	2.6
205.87241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9457
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62225	3.8
70.57877	7.2
78.29208	3.5
80.02087	4.4
89.06035	5.4
94.93010	100.0
96.08428	4.8
189.00204	7.3
194.15396	7.8
194.94553	11.8
203.89053	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	195.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88295	0.6
63.02351	1.1
65.03923	0.8
69.26559	2.4
70.04021	0.5
78.04694	1.3
79.05464	1.2
85.02898	0.7
89.03907	30.8
91.05457	2.9
93.07001	0.7
95.04958	1.5
103.05436	1.4
105.03403	0.9
105.07069	0.6
106.04182	3.1
107.04953	1.7
111.04498	0.7
115.18109	0.6
117.03368	59.9
118.03686	1.4
121.06477	1.2
124.05213	0.9
130.96307	0.7
134.02695	1.0
134.03618	9.8
134.60599	0.7
135.04405	7.1
135.07936	0.7
145.02831	95.5
146.03177	2.3
149.05971	25.1
150.06403	0.7
153.01785	0.7
162.03114	2.0
163.03877	9.7
167.03415	0.6
177.05452	100.0
178.05794	2.2
186.05466	0.9
194.15428	0.8
195.02864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.88295	0.6
63.02351	1.1
65.03923	0.8
69.26559	2.4
70.04021	0.5
78.04694	1.3
79.05464	1.2
85.02898	0.7
89.03907	30.8
91.05457	2.9
93.07001	0.7
95.04958	1.5
103.05436	1.4
105.03403	0.9
105.07069	0.6
106.04182	3.1
107.04953	1.7
111.04498	0.7
115.18109	0.6
117.03368	59.9
118.03686	1.4
121.06477	1.2
124.05213	0.9
130.96307	0.7
134.02695	1.0
134.03618	9.8
134.60599	0.7
135.04405	7.1
135.07936	0.7
145.02831	95.5
146.03177	2.3
149.05971	25.1
150.06403	0.7
153.01785	0.7
162.03114	2.0
163.03877	9.7
167.03415	0.6
177.05452	100.0
178.05794	2.2
186.05466	0.9
194.15428	0.8
195.02864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03959	1.0
55.01862	1.4
65.03953	0.8
67.05507	1.5
69.07062	0.7
70.94267	0.8
71.22562	0.8
78.04713	1.2
79.05487	3.2
81.03412	0.7
81.07061	2.1
83.04986	0.8
89.03911	27.7
89.04466	1.4
89.06007	0.8
91.05471	5.3
93.07039	2.1
93.27258	0.6
95.04971	2.4
95.08588	1.1
103.05473	2.2
105.07027	2.6
106.04172	2.1
107.00964	0.6
107.04951	14.1
107.06046	0.8
107.08604	1.2
109.06514	0.9
109.98949	0.8
111.04445	1.7
115.05439	1.2
117.03375	49.0
119.04939	0.9
121.06523	2.3
121.10156	1.0
125.05985	1.7
125.07088	0.6
126.87840	0.7
130.96332	1.3
131.96138	0.7
133.06470	1.1
134.03615	7.7
135.04411	9.3
135.07158	1.0
135.08040	3.6
135.11688	1.7
139.03885	1.1
145.02844	92.6
146.03209	1.7
147.04388	0.9
148.97328	3.2
149.04852	1.4
149.05978	21.8
149.06969	0.8
149.09599	0.9
153.05481	1.4
153.97861	0.9
162.03131	2.6
163.03894	10.0
163.06393	0.7
163.07596	4.1
167.07042	2.8
171.98997	1.3
177.05464	100.0
178.05791	2.1
180.07825	0.9
186.05394	1.0
194.15407	6.1
195.02847	3.8
195.04607	0.6
195.06512	2.3
195.09682	5.6
195.11563	0.8
195.13852	0.8
195.15765	3.3
196.09537	0.8
214.11107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.82747	1.0
65.03927	1.3
66.92836	0.8
78.04717	1.4
89.03915	22.1
91.05485	2.7
93.07022	1.0
94.84953	0.9
103.05458	2.1
106.04176	2.1
107.04935	2.5
117.03378	46.6
118.03681	1.5
121.06513	1.6
121.96633	0.9
130.96275	1.2
134.03607	7.2
135.04396	5.9
135.11612	1.3
145.02843	88.3
146.03214	2.2
149.05972	21.5
153.06610	1.4
153.97932	1.2
162.03152	2.8
163.03896	8.6
167.03384	2.4
171.98984	1.4
172.06882	0.9
174.45393	0.9
177.05463	100.0
178.05795	2.2
186.05556	1.7
194.15344	1.6
195.02846	2.7
213.74126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02365	0.6
53.75167	0.4
55.01868	1.1
57.03443	0.5
65.03939	5.4
67.05501	1.5
68.99788	3.6
69.07068	0.6
71.04971	0.4
73.27728	0.3
76.94252	0.4
77.03922	1.0
79.05492	7.1
80.28161	0.4
81.03413	0.7
81.07049	1.6
83.04954	1.0
83.08626	0.6
83.86150	0.4
85.10168	1.3
86.85907	0.4
89.03917	0.4
91.05482	5.3
92.06269	0.4
93.03400	7.3
93.07035	1.7
95.04967	3.3
95.08600	0.7
97.06519	0.5
103.05465	21.6
105.04507	0.8
105.06349	0.6
105.07030	9.5
107.04951	29.0
107.08608	2.2
107.19135	0.4
109.02880	1.5
109.06508	0.7
111.04453	5.7
115.05453	2.9
116.06225	0.5
117.03393	0.8
117.06998	1.5
119.04947	0.5
120.05740	2.5
120.06487	0.5
121.06490	2.1
121.10148	0.4
123.04372	0.4
124.05194	2.1
125.06017	0.7
125.09635	2.4
131.04941	4.8
131.08578	0.7
132.05797	0.4
133.06496	0.9
133.10129	0.7
135.04457	0.4
135.08047	18.1
135.11702	1.5
136.08330	0.6
139.03893	29.2
140.04366	0.6
145.02838	1.1
145.06522	0.8
145.07594	1.4
147.65546	0.4
148.05162	1.0
149.05997	0.5
149.13272	0.5
153.09105	6.7
154.06241	100.0
155.06593	1.8
162.08080	0.4
163.07535	28.9
164.07907	0.6
167.07040	2.4
171.98915	0.5
177.05482	2.0
180.07803	1.1
194.15324	0.5
195.08385	0.8
195.10120	6.3
195.11700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.4
55.01867	1.0
55.05517	0.5
65.03930	5.3
67.05471	0.8
69.49865	1.7
77.03908	0.4
79.05484	6.5
79.13980	0.4
79.61768	0.4
81.03426	0.7
81.07040	0.8
91.05476	5.8
92.06262	0.4
93.03402	7.1
93.07030	1.3
95.04977	2.5
95.08598	0.7
98.23377	0.8
102.04703	0.5
103.05460	23.9
104.05766	0.4
105.04514	0.6
105.06342	0.7
105.07019	9.4
107.04946	29.3
107.08574	0.7
109.02853	1.4
111.04437	5.0
115.05437	4.2
117.03396	0.6
117.07002	1.6
119.04915	0.4
120.05722	2.4
121.06516	1.8
123.04388	0.5
124.05202	2.6
125.05978	0.8
131.04918	3.0
133.06462	0.7
135.08043	18.0
135.11652	0.8
137.05952	0.5
139.03894	30.1
140.04300	0.6
145.02826	0.9
145.06541	0.6
145.07610	1.5
147.04369	0.6
148.05186	0.7
153.09012	0.4
154.06233	100.0
155.06526	1.7
163.07526	27.8
164.07915	0.4
167.07028	4.5
177.05446	1.2
177.12773	0.6
180.07780	1.2
194.15434	0.6
195.10162	5.4
195.13872	0.6
195.15691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	2.2
55.01867	2.8
55.05508	9.8
56.14646	0.8
57.03432	2.4
57.07082	1.4
60.25018	0.8
62.58891	0.9
64.97939	1.3
65.03928	2.7
67.05502	49.4
69.07066	11.0
69.85464	2.6
71.01364	1.3
71.04984	5.5
75.12402	0.8
77.03915	1.1
79.05490	31.1
79.05952	1.7
81.03406	5.9
81.07054	100.0
83.04976	6.9
83.08624	7.3
85.06531	4.2
91.04938	1.8
91.05477	20.5
93.07041	54.3
95.04971	4.4
95.08602	41.1
96.08886	1.0
97.06533	9.6
99.08083	0.9
105.04517	2.0
105.07052	7.2
107.08595	22.5
109.06513	2.6
109.10159	2.1
111.08082	3.4
113.06029	1.1
117.07028	7.6
119.08554	2.8
121.06506	3.8
121.10130	6.0
131.08549	8.1
133.10120	14.4
135.08084	4.1
135.11690	37.5
136.12070	1.2
144.09335	0.9
149.09634	1.3
149.13246	15.5
151.11188	1.1
159.11681	14.1
177.12735	12.5
180.09264	1.3
195.11708	2.8
195.13812	12.0
199.81718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03940	1.7
55.01863	2.3
55.05510	11.2
57.03436	2.4
57.07064	1.1
65.03922	1.7
67.05503	50.2
69.07066	10.8
71.01354	1.2
71.04995	5.2
71.32036	0.8
73.44298	0.6
79.05490	35.0
81.03413	5.2
81.07053	100.0
82.07383	1.6
83.04978	7.5
83.08612	6.5
85.06536	3.9
87.04465	1.1
87.05956	0.5
91.05478	18.7
93.07040	58.0
93.54894	0.5
95.04963	5.4
95.08601	42.2
97.06528	7.3
99.08096	1.5
105.04530	1.4
105.07027	8.1
107.04962	1.2
107.08588	21.6
109.06515	2.1
109.10133	3.2
111.08097	3.8
113.06059	0.6
117.07015	6.8
119.08582	2.1
121.06526	4.0
121.10135	7.1
129.07028	1.0
131.08571	8.3
133.10130	13.7
135.08046	4.5
135.11685	34.8
136.12001	0.7
138.22034	0.6
139.07581	0.8
144.09360	0.7
149.09628	1.1
149.13245	15.4
149.14429	0.8
150.13408	0.6
151.11258	1.7
153.09148	0.7
159.11702	13.0
159.12959	1.0
160.12041	0.7
177.12743	14.5
178.08194	0.5
195.13821	12.0
195.15602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02371	1.0
51.23881	0.6
53.03941	2.4
55.01873	4.3
55.05509	17.5
57.03433	5.8
57.07066	2.0
58.78275	0.6
59.04989	1.0
65.03938	1.5
66.04710	0.6
67.05502	65.8
67.16608	0.7
68.05823	1.1
69.03426	1.3
69.07066	17.2
69.79483	2.1
71.01353	2.3
71.05007	5.2
73.02937	1.6
77.03928	2.0
79.05487	47.5
80.05846	0.8
81.03415	14.8
81.07052	100.0
82.07395	1.3
83.04978	11.5
83.08611	10.0
85.02898	0.9
85.06516	3.4
91.05477	43.0
93.07040	57.0
95.04958	8.2
95.08604	32.7
97.06526	10.4
97.10159	1.3
99.08097	2.5
103.05444	0.8
105.04496	2.2
105.07017	13.7
107.04964	1.7
107.08585	28.5
107.46362	0.8
109.06528	3.3
109.10140	3.8
111.08070	5.5
113.06020	1.1
114.90800	0.6
115.52731	0.6
117.07005	14.3
117.07794	0.9
119.08562	3.3
121.06501	5.5
121.10137	9.5
123.08076	1.2
123.11688	2.5
129.06963	0.9
131.08566	13.7
133.10124	26.7
135.08080	4.5
135.11690	33.4
139.07518	0.8
142.59889	0.8
147.11729	0.9
149.09656	1.2
149.13248	17.6
149.14441	0.9
151.11211	2.7
153.09183	0.9
159.11673	15.2
177.12744	10.9
184.91188	0.7
195.13792	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02382	0.4
53.03933	2.2
53.43060	0.4
55.01868	3.7
55.05505	20.7
56.05853	0.4
57.03431	5.4
57.07069	1.8
59.05017	0.7
59.35802	0.4
65.03931	2.9
67.05499	67.3
68.05844	0.7
68.38106	0.4
68.99792	0.7
69.03419	1.8
69.07063	19.6
70.53446	0.9
71.01350	1.4
71.04989	5.9
73.02909	1.1
75.18718	0.4
77.03916	1.8
77.80874	0.4
79.05487	45.3
80.05817	0.9
81.03032	0.3
81.03410	16.1
81.07049	100.0
82.07383	1.2
83.04976	13.1
83.08613	11.6
85.02918	0.6
85.06537	4.4
87.04478	0.5
91.05473	42.9
92.05795	0.9
93.07036	63.0
94.07339	0.9
95.04959	8.9
95.08597	33.7
97.06524	10.8
97.10162	1.4
99.08079	1.3
105.04520	2.1
105.07019	13.8
105.07739	0.9
107.04954	1.3
107.08583	27.7
108.08939	0.8
109.06499	4.0
109.10131	3.4
111.08090	4.9
113.06032	0.6
113.09620	0.9
115.05444	1.2
117.07010	13.5
119.06063	0.6
119.08559	3.2
121.06503	6.9
121.10136	9.5
123.08104	0.7
123.11696	2.9
125.09644	1.2
129.07004	1.2
131.08553	13.9
133.10115	27.6
134.10448	0.5
135.08037	4.0
135.11679	30.1
136.12048	0.8
144.09305	0.5
147.11627	0.8
149.09610	1.5
149.13240	16.3
151.11169	3.2
153.09050	1.3
159.11676	13.8
159.12949	1.0
165.06953	0.6
165.73878	0.4
177.11588	0.3
177.12726	9.9
195.11884	1.0
195.13780	19.2
195.15590	1.0
196.16919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.8778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49361	1.4
67.47531	1.2
69.71659	4.7
78.95628	5.2
80.71964	1.3
82.03835	1.6
83.37196	1.2
83.58823	1.2
94.93008	3.3
100.90710	1.2
112.89576	3.1
117.60353	1.3
119.01948	2.0
136.03668	1.3
137.06026	1.1
137.06859	9.6
138.05246	13.3
148.42192	1.5
152.06837	5.8
162.06363	4.0
172.95279	2.3
173.02925	1.3
174.06076	1.6
179.09056	22.1
180.07433	6.7
196.07404	1.5
196.87796	100.0
197.08772	1.9
197.10297	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	197.0809
Annotation	2',6'-Dimethoxy-4'-hydroxyacetophenone
Peak:m/z	Relative Intensity
54.11737	0.3
55.01878	0.4
55.05506	0.5
65.03940	2.4
67.05518	0.6
69.11285	0.8
69.11691	1.0
70.95866	1.2
72.93806	0.6
79.05492	2.2
81.03448	0.3
81.07049	2.2
82.09032	0.3
83.04993	0.4
83.08626	0.5
90.45985	0.3
91.05458	2.0
93.03403	4.5
94.04189	0.9
95.04989	0.9
96.02078	0.3
97.06560	0.5
105.03333	0.4
107.04951	0.9
107.08560	0.3
108.05714	1.2
109.02879	0.4
109.06511	4.9
111.04437	5.9
111.08067	0.3
111.98468	0.9
119.06072	0.4
121.02892	0.8
122.03670	0.4
125.05977	1.0
132.95804	1.5
135.04430	0.6
136.05203	2.2
137.05956	1.8
139.03883	5.9
150.96838	1.9
151.03870	0.8
151.12665	0.3
152.04677	1.5
153.05464	2.6
154.06253	2.0
155.08659	0.4
155.97449	1.1
157.10294	0.3
167.03387	18.1
167.08536	0.5
168.03754	0.5
169.10124	0.5
171.06537	0.5
173.98463	1.3
179.10687	0.5
181.04936	32.7
182.05730	70.0
183.06046	1.4
197.08075	100.0
197.12982	2.0
198.08406	1.9
198.18532	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01868	2.4
55.05510	0.6
55.55674	0.2
57.07070	0.4
64.97945	0.3
65.03946	2.0
65.06026	0.3
67.05492	1.9
69.07061	0.6
70.95868	2.2
71.08630	0.4
72.43285	0.3
72.93776	1.5
73.02914	21.1
77.03909	0.4
79.05443	0.3
81.07056	0.4
83.08599	0.4
91.05486	2.6
93.03392	1.0
95.04961	1.7
105.04509	0.5
105.06994	0.5
107.08584	0.7
108.02087	2.0
109.02853	0.4
110.03660	2.6
111.04437	2.2
111.98483	1.9
119.04916	1.9
121.03988	0.4
123.04420	0.5
125.05988	14.4
129.99516	0.6
132.95821	4.3
133.10141	0.5
135.11665	0.4
135.17300	0.3
136.01527	0.4
137.05997	1.3
138.36183	0.3
141.05461	3.6
149.05963	2.9
150.96884	5.1
151.03903	100.0
151.05005	11.3
151.07413	3.4
152.04204	1.5
154.90807	0.4
155.97440	2.2
161.09676	0.3
173.98491	3.6
179.07013	17.8
179.10585	0.6
196.91838	0.3
197.08055	5.0
197.11739	0.4
198.18507	11.4
198.20294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19152	2.3
59.21238	2.1
61.85144	2.0
63.34248	1.9
69.96084	6.9
70.35563	2.0
75.40593	2.0
82.03822	5.0
86.45880	1.9
97.07659	2.7
98.22807	2.3
100.80228	2.2
118.08289	2.2
119.01867	2.8
120.04156	2.2
132.04991	3.4
137.06854	54.8
138.05257	54.2
162.06355	18.6
174.06157	6.3
179.09029	100.0
180.07434	39.7
180.09142	3.2
196.87769	7.9
197.07689	8.2
197.10103	25.5
198.18477	4.5
202.97235	2.6
215.08757	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.82768	0.9
53.03942	1.2
55.05506	7.9
57.03432	1.6
57.07070	4.1
59.04992	3.7
65.03928	1.0
67.05495	7.2
69.03430	1.9
69.07076	4.7
70.08749	2.9
70.95857	6.7
71.04953	0.9
72.93780	3.0
77.03938	1.3
79.05492	6.7
81.07065	8.9
83.08609	2.3
88.96883	1.4
91.04942	1.6
91.05479	24.1
93.07043	28.4
95.04979	10.6
95.08634	4.5
97.06542	2.1
97.10192	1.1
100.07574	1.1
102.20535	1.0
105.07028	31.5
106.07353	1.0
107.04936	1.1
107.08593	69.3
109.06522	5.8
109.10144	6.0
111.98476	5.8
112.07601	1.3
118.07732	1.0
119.04926	2.0
119.06049	2.5
119.08588	8.1
121.06512	6.4
121.10167	1.2
123.04425	5.5
123.08061	1.5
123.11706	3.5
128.06216	1.3
129.99510	2.0
131.08554	3.6
132.95836	13.5
133.10124	75.0
135.08049	2.0
135.11693	52.7
136.12045	2.2
137.05960	3.9
137.09668	5.8
141.05379	1.1
143.08569	2.3
146.07304	1.6
150.96877	17.6
151.11203	6.6
155.08487	1.3
155.97435	7.0
161.09612	33.5
164.80475	1.1
167.08525	1.3
170.15411	1.1
173.98486	10.0
179.10667	100.0
180.10997	2.8
182.10910	1.2
197.11723	74.6
198.12033	1.5
198.18523	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1536
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
55.01870	3.9
55.05256	2.1
55.05508	33.1
57.03427	4.5
57.07075	2.7
57.14755	0.9
65.03944	1.4
67.05502	37.9
68.39700	0.9
69.03437	1.1
69.07064	27.8
70.52113	1.6
70.95860	1.2
71.04989	11.6
71.08622	1.4
72.93791	1.1
73.06552	1.6
79.05488	20.3
81.07052	84.4
83.04972	6.3
83.08612	22.6
85.06537	14.4
88.19738	1.2
90.46132	1.0
91.05473	20.0
93.07040	22.7
94.25810	1.1
94.62133	1.1
95.04935	2.6
95.08600	100.0
96.08926	2.0
97.06528	27.5
97.10158	8.1
98.23299	1.4
99.08096	5.8
105.07027	22.0
107.08595	9.2
109.06525	3.7
109.10158	6.6
111.08086	4.5
111.98478	2.5
113.09645	2.3
115.07469	1.3
119.08572	38.5
119.09423	2.1
120.08891	1.2
121.10139	10.6
123.08059	10.2
123.11646	1.1
125.09611	1.2
127.07576	2.8
132.95844	3.8
133.10115	24.9
135.11681	22.2
137.09633	2.9
137.13240	19.9
141.09108	1.6
150.96893	4.4
155.97450	2.2
161.13254	56.2
173.98477	2.5
179.10924	1.1
179.14279	24.4
197.15331	9.3
198.18542	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	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03942	2.1
55.01862	1.3
55.05510	3.4
55.53962	0.5
56.05830	0.5
57.07064	1.8
59.45149	0.4
63.84633	0.4
65.03929	3.6
65.82332	0.4
67.05499	3.8
69.07067	3.4
70.57487	0.7
71.08606	0.4
72.04527	0.8
74.09718	2.2
77.03924	2.1
77.75565	0.5
79.05481	0.9
79.49895	0.4
81.07036	1.0
83.08627	2.8
89.53865	0.5
93.03380	1.3
93.07060	1.2
95.04962	29.2
95.08644	0.6
97.02903	2.4
97.06516	0.6
97.10146	1.5
98.97575	1.0
100.07608	1.1
105.04515	4.5
107.08591	0.5
108.02133	0.6
110.03673	2.1
111.04430	2.0
116.97232	1.0
116.98582	0.7
120.02087	0.9
121.02849	2.0
121.03918	0.7
123.04421	11.8
125.02342	14.4
126.82235	0.4
131.99579	0.5
134.99631	0.6
135.09251	0.4
136.93678	0.4
139.03853	0.7
140.04674	100.0
141.05000	2.1
141.57693	0.5
142.07803	0.4
146.74866	0.4
149.02341	0.6
151.45879	0.4
155.07019	11.0
156.07449	0.6
157.10152	1.1
159.21892	0.4
167.03421	1.1
173.08038	0.9
175.98540	1.0
181.04945	4.5
198.18520	38.8
199.05850	0.6
199.07513	1.1
199.14767	0.9
199.18872	10.6
205.83768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03942	2.1
55.01862	1.3
55.05510	3.4
55.53962	0.5
56.05830	0.5
57.07064	1.8
59.45149	0.4
63.84633	0.4
65.03929	3.6
65.82332	0.4
67.05499	3.8
69.07067	3.4
70.57487	0.7
71.08606	0.4
72.04527	0.8
74.09718	2.2
77.03924	2.1
77.75565	0.5
79.05481	0.9
79.49895	0.4
81.07036	1.0
83.08627	2.8
89.53865	0.5
93.03380	1.3
93.07060	1.2
95.04962	29.2
95.08644	0.6
97.02903	2.4
97.06516	0.6
97.10146	1.5
98.97575	1.0
100.07608	1.1
105.04515	4.5
107.08591	0.5
108.02133	0.6
110.03673	2.1
111.04430	2.0
116.97232	1.0
116.98582	0.7
120.02087	0.9
121.02849	2.0
121.03918	0.7
123.04421	11.8
125.02342	14.4
126.82235	0.4
131.99579	0.5
134.99631	0.6
135.09251	0.4
136.93678	0.4
139.03853	0.7
140.04674	100.0
141.05000	2.1
141.57693	0.5
142.07803	0.4
146.74866	0.4
149.02341	0.6
151.45879	0.4
155.07019	11.0
156.07449	0.6
157.10152	1.1
159.21892	0.4
167.03421	1.1
173.08038	0.9
175.98540	1.0
181.04945	4.5
198.18520	38.8
199.05850	0.6
199.07513	1.1
199.14767	0.9
199.18872	10.6
205.83768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
57.07087	0.2
61.01159	1.3
68.73772	0.2
69.07065	0.3
69.33217	0.7
72.04510	1.8
74.09720	1.1
76.02219	0.4
83.08635	0.3
86.09723	0.2
87.23943	0.2
88.02215	0.7
98.22704	0.3
98.97559	0.2
99.40407	0.2
100.07603	0.3
104.01693	1.3
106.03250	100.0
107.03592	0.5
110.96683	0.6
112.99981	0.4
128.97710	7.1
140.97731	1.1
157.10133	0.2
162.13773	0.2
167.98801	0.7
168.97174	0.5
182.00363	0.8
199.18904	4.4
200.01405	1.8
200.19191	0.5
201.05469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	35.2
58.59635	0.4
70.21725	0.4
71.95245	0.5
72.08157	0.4
83.97629	9.4
84.04499	1.5
84.96010	1.0
98.97580	70.6
101.98678	0.8
109.99163	5.3
112.99108	0.6
115.00735	0.5
116.98616	36.0
121.99155	5.5
121.99986	0.3
122.11069	0.3
128.00201	6.2
128.26773	0.3
130.01747	1.0
133.01768	0.4
134.98602	0.5
134.98865	0.3
134.99644	11.0
140.00180	31.9
140.98590	11.7
140.99445	0.2
146.01250	3.0
148.02863	0.4
153.00668	1.4
158.01245	100.0
158.99638	8.2
159.01654	1.1
160.01660	0.4
176.02306	50.7
177.00688	1.1
177.02684	0.4
181.02875	0.8
182.01276	1.0
182.99585	0.4
194.03302	1.4
199.18803	0.5
200.02299	9.2
200.13919	0.4
201.00685	1.1
218.03336	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	201.0029
Annotation	Meconic acid
Peak:m/z	Relative Intensity
52.08763	0.1
53.00309	0.1
57.07082	0.1
65.14137	0.1
68.99787	71.4
69.07035	0.1
70.00123	0.5
70.78693	0.1
71.01369	0.1
73.35239	0.1
87.00825	8.0
87.15742	0.1
91.05479	0.2
92.99760	0.5
103.05495	0.1
105.01862	0.4
105.03371	0.1
111.00812	0.7
112.98729	1.3
115.00286	3.7
115.05448	0.1
117.07060	0.2
118.96786	0.2
130.99771	1.2
131.04982	0.1
139.00250	1.7
141.06956	0.1
145.01300	0.1
145.06490	0.2
145.10110	0.2
153.06984	0.3
154.07742	0.1
154.99690	0.1
155.08527	1.0
157.01303	0.2
158.07127	0.1
159.11647	0.2
173.05908	0.2
182.99184	1.1
183.08029	0.1
200.19073	0.1
201.00287	100.0
201.16383	0.2
202.00621	1.9
203.00665	0.2
219.14537	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	201.1272
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
52.49142	0.3
53.03947	0.5
55.01855	1.1
55.05500	1.2
57.03431	0.8
57.07067	1.6
63.02364	0.4
65.03919	0.6
67.05499	6.5
69.03423	13.2
69.07066	2.0
70.48592	0.7
79.05489	4.6
81.03396	1.0
81.07052	3.4
83.04943	0.4
91.05467	11.3
93.07030	3.1
95.04962	2.7
95.08601	2.7
98.43485	0.3
103.05454	1.0
105.03404	0.5
105.04537	0.4
105.06348	0.7
105.07024	9.9
107.04941	1.5
107.08582	3.0
108.88997	0.3
109.06479	1.6
115.05442	4.6
116.06237	1.3
117.07014	14.8
118.96735	2.4
119.04942	0.6
119.08570	19.2
121.06478	1.2
128.06216	4.3
129.06990	12.8
130.07793	2.6
131.04924	3.5
131.08556	38.6
132.08846	0.4
133.06465	1.7
133.10123	1.7
133.99094	0.7
135.08011	0.7
141.06970	6.1
142.07773	8.1
143.08559	14.6
144.05705	0.7
144.09317	5.5
145.06471	9.3
145.10118	22.0
146.07166	0.6
147.08008	0.5
153.06960	4.6
154.07732	1.3
154.96436	0.7
155.05974	1.1
155.08543	10.3
156.09357	4.0
157.06459	1.2
157.10117	14.3
158.07260	2.0
158.10902	10.7
159.08051	12.3
159.11676	10.5
160.08801	0.9
167.08560	1.0
168.09337	14.4
169.07614	0.5
169.09946	0.4
170.10886	0.7
171.08078	2.4
171.11682	10.5
172.08817	3.3
172.12299	0.7
173.09627	5.0
173.13246	40.3
174.13567	1.1
177.98047	1.3
183.08151	0.7
183.11674	17.8
184.12068	0.5
185.09531	0.5
186.10393	4.7
200.23743	0.6
201.08965	2.1
201.12729	100.0
202.07805	0.6
202.13081	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	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
54.67676	0.9
55.05501	2.6
56.11545	1.1
57.03419	1.4
57.07059	1.3
67.05495	8.4
68.99767	1.9
69.03425	18.5
69.07060	2.9
69.64105	2.3
79.05487	4.2
81.07046	2.9
91.05473	15.1
93.07047	3.5
95.04975	3.2
95.08593	3.4
98.52892	1.0
99.00818	1.7
103.05458	3.1
104.00051	0.9
105.07024	13.8
107.04951	2.1
107.08581	3.4
109.06509	1.6
115.05442	4.4
116.06230	1.1
117.07006	16.0
118.96782	7.9
119.08586	25.4
120.20551	0.9
128.06233	4.1
129.06992	15.7
130.07774	2.8
131.04883	5.7
131.08557	45.8
132.08876	1.1
133.06458	1.6
133.10136	2.1
133.99066	1.6
135.08005	1.8
136.95433	1.0
141.06976	7.3
142.07774	9.3
143.08549	17.0
144.09311	3.8
145.06462	10.2
145.10118	22.0
153.06998	5.0
154.07745	1.0
154.96417	1.7
155.08546	10.3
156.09338	5.8
157.06496	1.7
157.10115	14.8
158.07275	2.3
158.10893	10.8
159.08054	13.1
159.11696	10.3
167.08635	1.2
168.09349	12.6
171.08044	2.1
171.11665	14.6
172.08847	3.6
173.06004	1.4
173.09669	4.3
173.13252	50.5
174.13631	2.0
177.98061	4.4
183.11679	19.8
186.10428	5.5
201.00259	3.3
201.05441	12.3
201.12729	100.0
202.13130	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	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
54.56124	0.9
55.01863	1.2
55.05497	2.0
57.03413	1.1
57.07057	2.4
67.05503	8.9
69.03426	15.6
69.07072	2.4
69.52009	3.9
79.05478	4.6
81.03368	1.0
81.07040	3.5
88.76427	0.9
91.05476	15.3
93.07022	2.2
95.04971	3.1
95.08599	3.7
103.05460	1.5
105.07032	12.7
107.04947	2.4
107.08556	3.3
107.38432	1.2
109.06509	1.9
115.05470	4.6
116.06239	2.0
117.07018	19.2
118.96739	2.7
119.07738	2.2
119.08570	29.1
128.06201	4.1
129.07002	14.3
130.07762	1.9
131.04916	12.8
131.08557	46.2
133.06508	1.6
133.10048	2.3
141.07010	6.3
142.07777	11.9
143.08546	20.7
144.09343	6.7
145.06482	7.5
145.10120	23.0
145.53804	1.2
146.07253	1.0
153.06987	6.6
154.07739	1.0
155.08539	12.5
156.09338	4.8
157.06551	1.4
157.10129	18.7
158.07256	3.0
158.10921	10.4
159.08041	14.0
159.11673	11.2
168.09346	14.3
171.08075	1.8
171.11655	11.7
172.08775	2.6
173.09596	4.1
173.13245	49.3
183.11687	22.1
186.10374	5.1
199.11148	1.4
201.12729	100.0
202.13115	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.93271	0.6
51.16785	0.6
53.03928	0.7
53.73868	0.6
54.80312	0.6
55.05512	3.7
57.07059	2.2
62.05803	0.8
67.05503	7.8
69.07062	5.4
70.17458	1.8
79.05483	12.1
81.07051	20.9
83.08612	1.5
91.05476	15.9
93.07040	18.1
95.04959	1.5
95.08023	1.4
95.08601	19.6
102.31438	0.8
105.07024	27.3
107.08584	23.7
109.06482	0.8
109.10149	5.3
115.05441	2.3
116.06174	0.8
117.07018	14.7
118.96730	4.2
119.08566	18.8
121.10143	8.9
128.06166	0.9
129.06972	3.5
130.07814	4.9
131.08559	37.9
133.10127	10.2
142.07765	1.2
143.08553	6.1
144.09390	5.0
145.10114	64.0
146.10863	3.3
147.11642	1.7
154.96512	1.0
157.10132	5.5
158.10883	3.3
159.11682	48.1
160.12350	1.2
171.11665	3.2
172.12448	2.8
173.13255	15.2
177.98106	1.2
186.13974	3.9
199.14848	1.7
201.16368	100.0
202.16696	2.4
213.71643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03951	0.8
55.05503	3.3
57.07069	1.7
59.93096	1.5
62.85946	0.7
64.11867	0.6
67.05168	0.7
67.05501	10.2
69.03416	2.6
69.07069	5.2
70.12473	0.6
71.43111	0.8
77.94144	0.7
79.05493	11.8
81.07056	23.1
83.08604	1.4
91.05470	13.7
93.06449	0.8
93.07039	17.8
95.04942	1.9
95.08601	22.6
95.61821	0.6
95.95201	0.6
105.07021	22.6
106.36903	0.7
107.08588	22.3
109.06504	1.2
109.10161	4.6
113.14746	0.7
115.05452	1.9
116.06252	1.5
117.07010	16.9
118.96748	9.8
119.08575	22.5
121.10143	7.9
128.06198	1.7
129.06989	5.5
130.07782	5.1
131.08563	38.4
133.10115	9.7
133.99074	2.1
135.11679	0.9
139.28206	0.7
141.06964	0.9
142.07758	1.9
143.08559	7.9
144.09363	4.7
145.06427	1.1
145.10118	54.7
146.10796	2.9
147.11667	1.7
153.07018	0.9
154.96519	3.0
155.08551	2.1
157.10115	6.7
158.10922	5.6
159.08043	1.5
159.11685	45.1
160.12126	1.2
168.09259	1.4
171.11702	5.5
172.08849	0.8
172.12444	1.8
173.09698	0.8
173.13252	21.5
177.98070	6.2
183.11697	2.8
186.10388	1.0
186.13960	4.1
201.12738	14.7
201.16376	100.0
202.16716	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	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.37305	0.6
53.03931	0.8
55.05512	3.8
57.07071	2.3
59.79773	0.6
59.93087	0.8
62.54688	0.8
65.03921	1.2
67.05503	9.7
69.07063	5.1
70.71304	1.2
77.03891	1.0
79.05487	11.3
81.07049	22.1
83.08617	1.2
91.04943	1.0
91.05474	14.4
92.54540	0.6
93.07037	17.3
95.04968	1.7
95.08595	18.3
105.07020	26.0
105.07738	1.4
107.08584	19.8
107.80988	0.6
109.10156	5.1
115.05411	1.5
116.06231	1.1
117.07013	16.8
118.96785	2.7
119.08562	18.1
121.10127	9.2
128.06277	0.7
129.07013	3.6
130.07777	4.7
131.08549	32.6
133.10124	10.6
142.07788	1.4
143.08553	5.7
144.09317	4.7
145.10109	60.3
146.10786	2.6
147.11636	1.4
155.08521	0.7
156.09375	0.8
157.10121	5.6
157.81708	0.6
158.10860	4.1
159.11681	46.1
160.12138	0.9
171.11673	4.5
172.12473	2.9
173.06027	0.9
173.13235	15.4
177.98044	1.8
186.14003	3.7
201.12584	2.1
201.16362	100.0
202.16666	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	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.22326	0.5
50.35034	0.5
53.03940	0.6
55.05508	3.5
57.07060	1.6
59.93103	1.1
60.06103	0.6
65.03920	0.9
67.05505	9.0
69.07059	5.3
71.08645	1.1
71.43183	0.6
79.05043	0.8
79.05486	11.0
81.07049	23.8
83.08594	1.0
91.04935	1.1
91.05476	13.8
93.07034	17.9
95.04934	1.4
95.08598	21.3
103.05438	0.8
105.04514	1.1
105.07016	26.6
106.07325	0.7
107.08590	22.3
109.06528	1.1
109.10143	4.1
115.05462	1.4
116.06216	1.3
117.07011	16.6
118.96749	5.9
119.08571	21.6
121.10144	8.1
128.06195	1.2
129.06973	3.6
130.07800	4.2
131.08557	32.8
133.10110	11.2
133.99057	1.4
135.76611	0.6
142.07777	1.7
143.08549	5.7
144.09337	4.3
145.10112	57.2
146.10779	2.7
147.11684	1.8
154.96458	2.2
155.08507	0.6
157.10095	6.9
158.10919	3.2
159.11687	47.7
160.12320	1.8
171.11635	3.0
172.12416	2.7
172.97536	1.1
173.13252	17.9
177.98047	3.7
183.11569	1.0
186.10393	2.4
186.14052	3.9
199.14824	0.8
201.12773	5.1
201.16370	100.0
202.16725	3.2
202.39256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03947	0.7
55.05494	3.4
57.07051	1.8
59.93102	0.8
60.54347	0.7
67.05493	7.3
69.07066	5.1
71.08618	1.0
71.42810	0.8
73.11598	0.6
77.94124	0.8
79.05486	9.8
81.07050	19.6
91.05465	13.3
93.07039	16.5
95.04951	2.3
95.08015	1.4
95.08592	17.3
95.09193	0.9
105.04530	1.0
105.07017	23.8
106.07336	0.7
106.19855	0.8
107.08572	17.7
109.10133	5.3
109.16638	0.8
112.55754	0.7
115.05433	1.7
116.06262	0.9
117.07006	14.0
118.96756	8.1
119.08567	22.3
121.10137	8.4
128.06187	1.1
129.06970	4.0
130.07774	4.4
131.08553	32.7
133.10101	10.1
133.99081	1.7
136.14467	0.7
142.07753	1.7
143.08531	7.1
144.09306	4.8
145.10107	62.4
146.10831	2.2
147.11696	1.6
154.96495	1.7
155.08559	1.6
157.10098	6.0
158.10843	2.3
159.11671	45.0
160.12170	1.1
170.62489	0.8
171.11665	2.8
172.12424	2.7
173.13240	14.0
177.98026	5.2
183.07434	0.9
183.11584	1.6
186.14081	3.6
199.14789	1.1
200.23718	2.1
201.12672	5.7
201.16356	100.0
201.23999	3.5
202.16740	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.00043	1.3
55.05517	3.1
59.93098	2.5
67.05504	7.4
69.07040	4.4
70.44478	1.7
70.44801	3.0
77.55463	1.6
77.70413	1.6
77.94131	2.4
79.05486	5.2
81.07059	16.3
91.05484	8.3
93.07043	10.1
95.08604	17.7
101.15347	1.4
105.07028	24.0
107.08581	14.8
109.10141	5.7
115.05464	1.5
117.07017	8.8
118.96752	21.2
119.08566	14.3
121.10138	7.6
123.69884	1.4
128.06168	1.5
130.07785	4.2
131.08551	24.6
133.10117	9.6
133.99065	4.2
143.08542	3.7
144.09329	5.6
145.08958	3.3
145.10115	59.5
146.10849	4.9
154.96452	5.3
157.10091	4.3
159.11690	55.5
171.11696	3.3
173.13237	17.5
177.98036	12.7
186.14000	2.2
201.09003	2.0
201.12715	4.3
201.16370	100.0
202.16745	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86014	7.6
82.01446	3.7
84.08135	5.2
100.02484	13.3
101.00883	20.1
118.03504	10.3
119.01921	100.0
120.02055	6.8
137.02951	32.9
138.03024	3.2
142.03505	34.6
143.03786	2.2
160.04568	15.4
160.05794	3.1
161.02953	22.1
178.01045	8.9
178.05611	2.7
179.00728	6.7
179.03996	33.1
179.05460	3.4
179.97984	2.8
197.99211	7.1
202.05539	2.3
216.27765	2.2
220.02092	19.3
221.01825	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	3.4
62.06059	3.4
64.71861	2.2
70.06587	22.6
71.06095	3.7
72.08154	13.9
74.37574	2.2
82.06568	3.3
82.33372	2.0
84.04508	19.9
84.08131	4.9
86.09701	3.7
87.28240	2.2
88.08732	3.7
98.02377	2.9
100.02477	8.4
101.00873	24.0
102.00944	4.6
102.09171	5.2
114.09161	3.3
115.02397	7.3
116.07093	6.0
118.03518	9.5
119.01917	98.1
120.02027	6.2
124.02428	4.4
128.07037	3.7
130.03503	4.9
137.02956	32.9
138.03297	2.1
138.96404	2.6
142.03494	41.6
148.04620	2.9
156.10107	2.6
156.97476	13.4
157.03462	29.2
160.04559	49.3
161.02982	13.0
166.03525	4.2
174.05460	2.6
174.98506	11.4
175.04530	12.9
178.01080	3.5
178.05725	3.7
179.04018	24.0
179.99210	10.9
184.04544	100.0
185.02945	12.9
185.04559	4.2
198.00128	8.8
202.03740	5.4
202.05605	90.9
202.08534	4.4
202.10699	6.2
202.14349	3.1
202.18018	7.7
203.04033	8.1
203.05849	4.1
203.08154	3.6
203.15051	6.8
220.02155	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51927	1.4
64.34115	1.4
70.06605	3.3
82.99821	1.8
84.04500	16.9
88.08751	2.6
89.34753	1.3
94.78896	1.4
97.01376	2.0
101.00883	13.4
102.09139	3.1
108.03045	1.7
115.02420	7.0
117.04006	1.7
118.03495	2.4
119.01915	19.8
124.02414	2.2
130.03482	2.4
132.05049	1.7
133.03447	2.9
137.02902	3.0
139.02376	2.5
142.03487	15.5
148.04622	3.2
157.03461	32.2
160.04549	32.4
161.04889	1.6
166.03537	4.8
175.04515	12.3
179.03998	1.6
184.04552	97.3
185.02951	14.3
185.04648	3.9
202.05600	100.0
202.18164	2.6
203.03972	8.1
203.05739	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.8
58.99860	1.9
69.72934	1.2
69.73296	3.2
73.34369	0.9
82.01435	24.7
83.51780	0.8
84.08152	5.0
86.01170	0.9
96.11882	0.9
97.02881	2.2
100.02475	64.5
100.17941	0.8
101.00861	7.2
101.02547	1.1
102.00967	1.2
110.10696	1.0
114.05537	2.8
117.02055	0.8
118.03512	27.1
119.01914	19.1
119.03573	1.0
120.02016	2.4
120.95362	2.4
137.02922	4.4
138.96376	14.4
143.01883	3.3
156.97467	87.5
157.03445	1.1
157.97549	1.8
161.02940	12.0
161.97998	5.1
174.98531	72.1
175.98578	1.9
179.04066	1.6
179.99155	100.0
180.99245	2.9
183.04843	1.3
197.99026	21.6
198.00121	55.9
199.00372	1.1
203.00681	1.0
203.05318	1.4
203.10316	1.3
221.01797	2.0
221.05127	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	203.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10487	1.4
64.72856	1.3
68.25021	1.3
70.06189	1.8
70.06585	37.1
71.06114	9.3
71.42927	2.1
72.08145	1.4
82.01969	1.4
88.08752	14.1
94.10934	1.4
101.91833	1.5
112.22756	1.4
116.07088	17.0
119.01876	2.2
133.09599	1.3
141.23495	1.3
155.01831	1.8
156.97398	2.3
158.09283	1.7
158.12888	7.2
161.02951	1.3
172.10780	3.4
179.99155	3.3
203.05252	100.0
203.15007	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	203.0702
Annotation	Eutypine
Peak:m/z	Relative Intensity
53.52580	0.7
55.01868	5.6
68.99788	1.4
70.06578	0.9
70.79925	0.8
71.01347	4.9
72.08140	0.8
77.03924	0.9
78.41637	0.6
79.05489	0.8
83.06601	0.7
84.08141	1.0
86.09693	0.7
89.45908	0.6
91.05472	9.1
95.01649	1.2
97.79982	0.7
103.05473	2.1
105.07024	6.1
107.04945	3.8
112.11240	2.7
114.05431	0.6
115.05452	4.5
117.07006	4.1
119.04965	1.0
119.08598	7.0
122.12413	0.6
127.05369	0.8
128.00778	1.2
128.06213	34.8
129.06999	84.9
129.13841	1.6
130.07309	1.5
131.04930	4.6
132.05728	3.5
132.06563	0.7
133.06496	5.6
139.05443	6.3
143.04898	2.6
145.06459	6.8
147.04408	6.6
147.08038	14.0
147.71809	0.8
155.06047	6.1
156.05728	0.7
157.06482	88.0
158.06802	2.0
159.04463	1.1
160.05185	8.7
161.05956	10.9
167.04935	4.2
173.05981	2.7
174.06746	5.8
175.07539	51.5
176.07893	0.9
185.05968	44.8
186.06364	2.4
192.28345	0.7
203.07011	100.0
204.07367	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	203.1391
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
51.27143	0.6
51.50976	0.7
55.05499	0.9
56.96561	6.1
58.06590	3.8
69.07079	0.6
70.06235	1.2
70.06590	17.3
71.04991	0.8
71.06105	2.7
71.31099	0.6
72.08141	5.0
84.04505	0.9
84.08133	11.5
85.08451	1.1
86.09698	100.0
87.10017	0.8
88.08740	4.7
95.04858	0.7
97.34312	0.6
98.09664	0.7
99.06380	0.8
100.07605	1.1
112.11233	30.4
115.08663	1.0
116.07095	6.4
124.00684	0.8
129.13867	17.7
131.06383	0.7
132.10194	68.3
134.99631	0.7
142.01733	4.0
156.97470	1.3
157.13333	10.1
158.11754	0.8
158.12845	4.2
159.04367	0.8
159.12083	2.7
160.02765	5.1
172.10818	1.2
173.38666	0.8
174.98669	0.8
203.03345	2.2
203.05222	1.5
203.08208	2.8
203.15317	7.2
203.22353	1.3
210.23897	0.8
221.04338	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	203.1391
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
50.00360	0.3
50.75191	0.2
55.06391	0.3
56.96553	1.2
57.03432	0.6
58.06598	0.4
69.03448	0.3
69.07072	1.5
70.06584	8.2
70.54910	0.4
70.55238	0.4
71.04961	0.4
71.06109	2.2
72.08154	0.9
74.97624	0.4
84.08126	1.7
86.09697	100.0
87.10020	1.2
88.08743	2.6
90.05550	0.6
98.97571	0.6
100.02462	0.5
100.07622	0.6
101.00883	0.6
102.98288	0.2
112.11250	2.2
115.08656	0.7
116.07082	3.3
117.06194	0.3
119.01910	1.4
120.02071	0.3
121.01662	0.5
129.13860	1.2
130.06522	0.6
131.01923	0.4
131.06331	0.5
137.02972	0.3
138.96330	0.5
143.01906	0.5
156.96352	0.3
156.97415	1.7
157.07677	1.4
158.09390	0.3
158.12898	1.7
161.02962	1.2
172.10828	0.5
174.98528	1.7
179.02315	0.5
179.03983	0.4
179.99089	1.6
198.00175	1.4
203.08286	0.9
203.15311	2.9
204.13257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1502
Annotation	SDMA
Peak:m/z	Relative Intensity
50.02765	1.0
50.83215	1.2
53.18606	1.2
55.01871	2.1
56.05033	1.3
56.96588	1.3
57.03426	5.0
58.02951	1.9
59.04990	4.4
61.02909	1.1
66.58710	1.1
68.05019	1.1
68.54790	1.0
70.06587	100.0
71.05001	3.7
71.06111	27.4
71.06490	2.2
72.08150	10.8
84.04504	2.6
84.08138	5.9
85.02934	1.3
86.06039	1.5
86.09699	15.2
88.07684	1.2
88.08746	37.1
94.92993	2.7
98.06055	3.8
99.09184	1.8
100.07616	17.6
101.00894	3.0
102.05509	1.6
110.48392	1.1
112.07615	1.8
114.05548	4.4
114.10323	1.6
115.08669	6.8
116.07084	43.5
117.10250	1.6
119.01929	8.6
126.05473	1.6
133.09709	3.8
137.02963	1.7
138.96426	1.4
140.07062	2.0
142.01709	1.9
142.09758	4.2
143.01877	1.9
144.06528	1.6
156.97462	9.1
157.09810	1.4
158.09279	4.8
158.12878	23.4
159.12418	3.4
161.02937	9.6
171.02892	2.9
172.10735	6.0
174.98526	8.8
179.99055	9.7
198.00133	7.7
202.92555	1.6
203.05243	38.6
203.08226	2.9
203.10344	2.5
203.15047	53.4
204.13527	4.4
204.15375	1.3
210.41199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03927	0.8
55.05513	6.5
57.07069	1.8
65.03951	1.0
67.05506	18.8
68.99082	0.6
69.07067	10.3
71.08604	0.7
71.42799	0.7
74.75410	0.7
79.05487	14.4
81.07055	30.6
83.08614	3.3
85.18641	0.6
91.04938	1.1
91.05479	15.6
93.07043	26.6
95.04943	4.2
95.08606	57.2
96.08925	0.7
97.10123	1.9
105.04537	1.0
105.07029	41.2
107.08591	36.1
109.06535	1.1
109.10158	36.7
117.06994	2.1
119.08577	35.9
119.98698	0.8
121.10142	23.9
123.11710	6.6
131.08598	2.1
133.10124	34.9
134.10521	0.9
135.11684	4.1
143.08585	0.8
145.10109	4.2
147.11685	50.7
148.12181	1.5
159.11668	4.2
160.12471	1.9
161.13261	19.9
175.14828	9.3
185.13210	1.3
203.14261	2.4
203.17952	100.0
203.28540	0.7
204.18301	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	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.15097	0.7
55.05503	7.5
57.07064	1.1
60.30142	0.5
67.05497	18.8
69.06708	1.0
69.07056	11.4
69.37074	2.7
71.08621	1.1
76.83229	0.7
77.03918	0.8
77.39714	0.6
79.05485	12.5
81.06570	1.4
81.07048	31.4
83.08622	3.7
91.05466	15.3
93.07034	23.8
95.04963	3.5
95.08594	61.6
96.08955	0.6
97.10150	1.9
97.96516	0.6
103.05469	1.2
105.07018	43.3
107.07825	1.2
107.08578	35.4
109.10143	36.7
117.06989	2.2
119.08567	38.2
120.96527	1.0
121.06464	1.1
121.10126	22.3
123.11701	6.6
128.06248	0.7
129.06966	1.0
131.08551	3.1
133.10114	37.9
135.11682	4.8
142.07739	1.0
143.08556	1.9
145.10120	6.6
147.11665	53.2
148.12268	1.1
157.10152	1.3
159.11708	4.5
160.12384	2.0
161.09605	13.8
161.13239	22.3
174.14006	0.8
175.11163	2.4
175.14777	7.7
185.13184	1.5
188.08183	0.7
203.10654	7.9
203.14247	4.8
203.17931	100.0
204.18301	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.02330	0.8
53.03942	1.3
53.12215	1.0
55.05293	1.1
55.05514	11.7
57.07069	2.5
59.86589	0.8
60.94287	1.2
65.03944	1.3
67.05502	33.9
69.06718	1.1
69.07069	17.1
70.06586	1.2
71.42703	1.4
73.87041	0.9
76.56007	0.8
79.05486	11.8
81.07057	51.9
83.08610	3.5
84.05531	0.9
91.05475	15.6
93.07050	20.8
94.03638	0.9
95.04977	1.3
95.08604	76.9
97.10154	2.0
99.74620	1.1
100.07597	1.2
102.77723	1.0
105.07028	59.0
107.08592	40.9
109.10159	69.1
112.11253	1.1
117.07011	2.8
119.08583	49.2
121.10144	22.5
123.11711	8.4
130.06473	0.9
131.08533	2.8
133.10130	38.5
135.10776	1.1
135.11649	6.4
143.05011	1.3
143.08507	1.3
145.10100	7.0
147.11682	72.3
148.12029	2.2
157.07616	1.7
159.11693	2.8
160.12465	3.1
161.11922	1.0
161.13257	21.0
175.07581	1.3
175.14833	7.6
203.06938	2.1
203.10669	1.6
203.14278	3.7
203.17949	100.0
204.18227	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	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05512	11.6
57.07066	5.0
58.06594	1.5
62.06087	3.2
65.03938	1.3
67.05499	31.1
69.07069	21.3
69.22801	1.3
71.08622	1.6
71.41791	1.2
72.08965	1.3
79.05500	10.5
81.07054	45.2
83.08620	4.8
85.24434	1.1
91.05480	17.4
93.07037	18.3
95.04946	1.2
95.08604	66.1
96.08917	1.7
97.10206	1.6
105.07027	55.8
107.08587	35.2
109.10152	58.5
110.67793	1.4
112.11241	1.3
117.07002	3.0
119.08574	48.8
119.09419	2.4
121.10143	18.3
123.11713	7.3
129.06979	1.5
131.08559	4.3
133.10127	39.8
135.11687	5.2
143.08600	1.6
145.10129	7.8
146.10944	1.5
147.11679	67.0
157.10062	1.7
159.11703	4.6
160.12482	2.6
161.13239	25.2
175.14818	8.3
179.97836	1.5
185.13361	1.5
203.06770	1.6
203.10660	1.7
203.14395	4.6
203.17941	100.0
203.21973	28.3
204.18195	1.7
208.69524	1.2
222.65657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.1
56.96555	0.1
57.07066	0.2
63.02366	0.2
65.03934	3.0
70.24843	0.1
79.05514	0.1
85.02894	0.1
91.05472	100.0
92.05806	1.4
93.07050	0.2
95.08604	0.1
95.10985	0.1
105.07018	0.1
107.08575	0.2
113.00005	6.5
113.73186	0.1
121.02832	0.2
121.06586	0.1
121.10152	0.1
130.96582	0.4
131.08543	0.1
145.10129	0.1
147.11678	0.1
149.02335	1.4
150.02643	0.1
159.11703	0.1
161.13370	0.1
187.14783	0.2
198.30482	0.1
204.96541	0.1
205.09909	0.1
205.15820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	0.8
70.47621	0.8
74.02433	1.4
91.05470	1.7
115.05458	2.8
117.05765	1.7
117.07018	3.0
117.47601	0.5
118.06540	48.2
119.06832	0.9
120.08028	0.5
121.02834	1.5
121.03867	0.6
121.78413	0.4
130.06494	3.1
132.08090	11.9
142.06487	5.5
143.07306	5.7
144.04434	1.0
144.07121	0.6
144.08075	21.6
146.05998	100.0
147.06392	2.4
149.02354	10.2
155.05992	0.7
159.09166	9.0
160.07564	1.6
170.06012	8.5
188.07057	84.6
189.07405	1.1
205.09766	0.9
205.15991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.39334	0.5
67.23656	0.5
70.43945	1.3
74.02432	1.9
79.47728	0.5
89.87213	0.5
91.05486	2.1
115.05405	3.5
117.05738	1.8
117.07011	2.4
118.06536	49.5
119.06911	0.6
121.02853	0.9
130.06535	2.9
130.48076	0.5
132.08089	11.4
142.06535	3.8
143.07289	7.7
144.04419	1.2
144.08081	21.0
146.06001	100.0
147.06337	1.5
149.02351	4.2
155.05968	0.6
159.09158	8.3
160.07573	1.5
170.06013	8.2
178.87805	0.5
188.07060	84.0
189.07434	1.6
197.14561	0.6
205.09723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.7
56.96560	1.6
57.07083	11.1
57.07320	2.2
57.87622	1.3
63.61616	1.3
65.03931	8.7
66.62263	1.5
67.05499	4.1
67.24210	1.6
68.92580	1.4
69.03434	8.7
69.07068	30.9
69.10115	10.4
71.06123	2.4
79.05475	4.0
81.03419	6.8
81.07047	2.4
83.04974	2.2
85.02900	10.6
91.05468	8.2
93.03405	2.4
93.07016	5.0
95.08604	2.2
97.02900	5.2
97.06518	1.7
98.22669	2.3
105.07049	11.7
107.04986	1.5
107.08602	3.6
108.76003	1.6
109.02911	2.4
109.10146	2.5
111.04392	1.9
111.11719	2.0
115.05467	9.0
117.07029	16.6
119.08588	9.6
121.02882	16.6
121.03969	4.8
121.06465	3.7
121.10149	3.8
127.03922	2.9
128.06244	1.9
129.06990	9.3
130.07794	2.9
131.04970	2.3
131.08553	11.8
133.10117	3.7
135.08076	3.5
135.11700	2.2
137.05937	1.7
143.08578	2.4
144.08307	2.3
144.09326	14.2
145.06479	15.0
145.10150	11.0
146.06053	2.3
146.07191	1.7
147.08099	2.4
149.02338	100.0
149.09683	2.2
155.06058	3.5
157.06485	3.6
157.10164	1.5
158.07161	1.7
159.08054	3.8
159.11690	50.9
161.05983	3.8
161.09663	2.7
163.02763	1.9
163.11140	8.7
167.03394	1.7
169.05144	3.0
169.10107	4.0
172.08841	13.7
173.06024	9.8
177.12723	4.2
178.01633	2.5
187.11171	50.6
194.24757	2.1
205.02707	7.4
205.06645	2.4
205.08620	5.2
205.12296	16.7
205.15804	7.3
206.09219	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	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
55.05503	6.7
56.96560	1.6
57.07083	11.1
57.07320	2.2
57.87622	1.3
63.61616	1.3
65.03931	8.7
66.62263	1.5
67.05499	4.1
67.24210	1.6
68.92580	1.4
69.03434	8.7
69.07068	30.9
69.10115	10.4
71.06123	2.4
79.05475	4.0
81.03419	6.8
81.07047	2.4
83.04974	2.2
85.02900	10.6
91.05468	8.2
93.03405	2.4
93.07016	5.0
95.08604	2.2
97.02900	5.2
97.06518	1.7
98.22669	2.3
105.07049	11.7
107.04986	1.5
107.08602	3.6
108.76003	1.6
109.02911	2.4
109.10146	2.5
111.04392	1.9
111.11719	2.0
115.05467	9.0
117.07029	16.6
119.08588	9.6
121.02882	16.6
121.03969	4.8
121.06465	3.7
121.10149	3.8
127.03922	2.9
128.06244	1.9
129.06990	9.3
130.07794	2.9
131.04970	2.3
131.08553	11.8
133.10117	3.7
135.08076	3.5
135.11700	2.2
137.05937	1.7
143.08578	2.4
144.08307	2.3
144.09326	14.2
145.06479	15.0
145.10150	11.0
146.06053	2.3
146.07191	1.7
147.08099	2.4
149.02338	100.0
149.09683	2.2
155.06058	3.5
157.06485	3.6
157.10164	1.5
158.07161	1.7
159.08054	3.8
159.11690	50.9
161.05983	3.8
161.09663	2.7
163.02763	1.9
163.11140	8.7
167.03394	1.7
169.05144	3.0
169.10107	4.0
172.08841	13.7
173.06024	9.8
177.12723	4.2
178.01633	2.5
187.11171	50.6
194.24757	2.1
205.02707	7.4
205.06645	2.4
205.08620	5.2
205.12296	16.7
205.15804	7.3
206.09219	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	205.1585
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03948	1.9
55.05504	10.6
57.03418	4.6
57.07069	4.7
58.11502	1.8
65.03941	3.2
65.93988	1.7
67.05497	26.1
69.07047	14.9
70.84538	2.3
78.99509	5.8
79.05492	20.7
81.07043	35.0
83.04965	4.5
83.08616	15.0
85.06548	2.9
85.95639	2.1
91.05463	22.8
93.07034	43.2
95.04958	4.1
95.08592	72.7
97.06503	5.6
97.10194	2.7
98.98428	4.6
105.07019	39.8
107.08577	52.0
109.09422	2.3
109.10143	27.4
111.08047	3.9
115.05440	2.1
116.95042	2.9
117.07011	14.7
117.99344	2.3
119.08567	43.7
121.06479	7.9
121.10136	58.1
123.08029	5.4
129.06982	4.3
130.07751	5.1
131.08554	34.6
133.10138	22.1
135.08020	6.9
135.11664	17.9
143.08511	10.0
144.09296	5.6
145.10100	69.0
146.10809	2.4
147.11658	30.7
147.99548	2.1
149.02324	13.3
149.09612	4.3
149.13237	6.5
157.10098	7.8
158.10884	4.8
159.10349	4.1
159.11671	71.2
161.13263	13.2
163.11125	4.8
163.14836	3.8
169.50349	2.1
172.12465	7.8
174.14032	3.0
175.14735	3.8
177.12732	3.0
177.16359	38.7
187.14793	100.0
188.15076	2.2
205.10107	5.7
205.12288	3.5
205.15848	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	205.1586
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
55.05499	11.1
57.07061	13.2
64.87305	2.8
65.03921	5.5
67.05504	18.4
69.07054	9.9
71.06094	4.3
79.05489	13.1
81.03455	3.9
81.07056	21.1
83.04973	5.8
83.08617	12.0
91.05476	18.1
93.07043	31.6
95.04907	5.0
95.08595	60.2
95.67545	2.7
105.07023	22.3
107.08583	41.4
109.02801	3.2
109.10154	20.7
116.06186	3.4
117.07005	14.4
119.08554	26.0
120.51915	3.4
121.02879	8.8
121.03994	4.8
121.06507	3.6
121.10140	49.3
123.08054	4.4
130.07750	4.0
131.08557	23.0
133.10129	16.7
135.08047	6.2
135.11693	16.8
143.08507	3.0
145.10126	51.4
147.11667	16.8
149.02330	66.7
149.09605	6.2
157.10161	5.2
159.11693	51.3
161.13228	13.6
163.11116	4.7
172.12451	3.0
177.16376	33.4
187.14799	100.0
205.12129	3.3
205.15843	59.0
205.17680	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	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
50.48279	1.9
53.03929	3.0
55.05510	19.0
57.03444	2.5
57.07073	10.7
62.18533	1.9
62.94798	2.0
65.03931	3.0
67.05159	2.7
67.05502	33.9
69.07066	19.8
73.71774	2.1
76.24358	2.2
79.05492	29.1
81.03423	2.5
81.07053	42.9
83.05010	5.2
83.08617	22.6
85.06516	3.8
89.32764	2.0
91.05476	26.0
93.07043	56.8
95.04938	3.6
95.08598	84.9
97.06528	5.9
97.10184	2.3
100.11312	2.3
105.07030	44.7
107.08586	62.8
109.06538	3.8
109.10149	33.8
111.08086	3.3
116.06270	2.7
117.06998	15.2
119.08575	44.3
120.61488	2.2
121.06490	9.3
121.10136	73.2
121.10996	4.6
123.08086	5.3
123.11691	4.1
129.07013	4.0
130.07808	6.0
131.08557	35.6
133.10139	31.8
135.08054	7.2
135.11688	30.3
142.07600	2.5
143.08540	6.1
144.09320	4.0
145.10106	73.5
146.10646	2.5
147.11668	23.7
149.02327	30.2
149.09627	4.6
149.13239	8.3
157.10101	7.9
158.10898	6.2
159.11688	77.9
161.13261	20.0
163.11234	3.6
163.14784	3.4
172.12482	7.4
175.14796	3.2
177.12776	3.8
177.16383	43.6
187.14806	100.0
205.09850	2.6
205.15869	63.6
206.16165	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	206.081
Annotation	Doryphornine
Peak:m/z	Relative Intensity
53.98906	1.1
65.03949	1.4
69.81266	1.2
77.70093	1.1
86.90592	1.1
88.02167	1.5
89.03888	3.3
90.04670	1.4
91.05478	30.6
98.35838	1.2
103.05450	4.1
105.05786	1.5
105.07039	3.4
109.06511	1.9
115.04197	3.5
116.04964	23.9
116.64191	1.3
117.05755	23.5
118.04150	2.3
118.06555	9.8
119.04924	10.0
119.06061	1.7
128.04961	1.7
130.06525	14.5
131.07310	14.0
132.04442	33.7
132.08069	5.7
133.05199	3.7
134.06003	5.0
146.05998	87.7
147.06779	22.6
148.07571	3.6
149.04688	4.9
150.02663	2.7
161.04720	33.5
174.05505	3.5
175.06277	10.8
178.08635	8.6
190.33624	1.2
206.08107	100.0
206.19058	4.7
207.08492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0812
Annotation	Doryphornine
Peak:m/z	Relative Intensity
50.43247	0.3
50.77584	0.3
53.94055	0.3
54.24330	0.4
55.81728	0.3
62.13242	0.3
65.03932	0.6
66.04722	0.5
69.61835	0.7
69.62222	0.8
77.03922	0.4
79.05488	0.5
89.03908	2.5
90.04723	2.3
90.05196	0.5
90.68683	0.3
91.04223	1.2
91.05473	28.5
92.06263	0.5
95.04973	0.9
103.05476	2.9
104.04974	1.1
104.06240	0.6
105.03400	1.1
105.04523	0.5
105.05769	0.7
105.07030	1.0
107.04939	0.4
109.06523	2.5
113.82521	0.4
115.04192	3.9
115.05424	0.8
116.04966	23.6
117.05755	25.2
118.04179	2.4
118.06548	7.4
119.04925	7.9
119.06068	1.7
120.04441	0.4
120.05271	0.3
121.06494	1.0
128.04968	2.5
130.02869	0.7
130.06525	12.7
131.03609	0.4
131.07310	11.6
132.04439	32.3
132.08084	1.8
133.05270	3.5
134.06009	2.8
143.03604	2.3
144.04420	1.6
146.05994	88.2
147.06786	20.7
147.08501	0.4
148.03906	0.9
148.07568	2.2
149.04716	4.3
161.04710	29.1
162.05251	0.4
174.05518	4.2
175.06276	10.1
176.06667	0.5
178.08638	7.6
191.05771	0.6
195.22125	0.3
200.15733	0.3
200.54254	0.3
206.08109	100.0
207.08397	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	206.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07047	0.1
59.04981	0.5
65.03947	0.2
67.05482	0.2
69.15910	0.2
69.16319	0.6
75.28963	0.1
79.64536	0.1
81.07035	0.2
82.07800	0.2
83.04998	0.2
83.08590	0.1
85.06502	0.1
91.05470	0.9
104.04984	0.2
105.07036	0.1
106.06508	0.2
107.08538	0.1
119.04958	0.8
119.06009	0.6
120.93467	0.1
123.11684	0.2
131.06000	0.3
132.06839	1.0
146.05988	0.3
146.07123	1.2
147.04396	0.6
147.05484	0.2
147.07941	0.2
149.02318	0.3
149.07043	0.1
149.09532	0.2
150.02644	0.3
157.03940	0.2
159.04259	1.8
162.06573	0.1
168.21541	0.1
174.06613	100.0
175.03894	0.5
175.07010	1.8
206.09235	22.9
207.06445	0.3
207.09523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86158	3.7
65.66618	3.5
66.29113	3.4
71.10801	5.3
74.88696	3.6
104.10751	6.7
139.23083	4.5
186.39069	4.5
207.01418	100.0
223.41615	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	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02369	0.7
63.02375	0.7
63.75910	0.7
65.03938	7.5
67.05495	0.9
70.40817	1.0
76.03136	1.4
77.03916	2.0
79.05472	1.6
80.06257	1.1
81.07053	0.9
82.04051	2.3
89.03928	4.6
90.03439	0.8
90.04706	2.0
91.05475	100.0
92.05810	1.8
93.07030	0.9
95.04938	1.6
95.08617	1.1
98.22725	0.8
98.40823	0.7
99.00014	0.7
101.03876	0.9
103.05455	2.7
104.02607	2.5
105.03388	1.3
105.07005	2.2
107.04941	2.3
107.08591	0.8
108.05708	1.7
117.03346	2.0
118.04169	4.4
119.04935	93.4
119.08570	1.2
120.05283	1.9
121.02852	1.3
121.06476	0.7
126.01064	24.4
127.01831	8.2
129.03362	1.6
129.04408	1.6
132.02071	7.9
133.02834	0.9
133.10121	0.7
133.44005	0.7
134.03659	1.3
135.04381	4.3
136.05191	2.6
142.29292	0.8
145.02849	2.1
146.03612	3.2
147.04401	71.9
147.11691	1.4
148.04762	1.6
149.02348	10.3
157.03937	8.7
161.05983	1.4
161.09602	0.9
162.03069	1.6
163.03854	1.2
164.04726	4.8
165.02138	1.6
171.06631	4.0
172.07256	1.0
174.03130	2.7
175.03894	90.0
176.04301	2.0
177.01848	0.7
177.05415	0.7
179.07010	9.1
180.03239	4.4
189.07672	1.1
189.12787	0.8
190.01665	0.7
192.04190	10.2
206.03116	1.3
207.02460	3.4
207.04323	27.4
207.06511	32.7
207.13757	1.4
208.05089	1.8
208.06949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02387	1.0
55.01860	1.3
55.05499	1.0
56.40269	0.7
65.03938	10.0
66.23426	0.8
67.05493	2.5
69.03397	1.2
69.07058	1.2
76.03197	1.1
77.03937	1.3
78.04704	1.0
79.05486	3.0
81.07023	1.6
89.03896	5.5
90.04706	4.6
91.05473	100.0
92.05780	1.6
93.03390	1.5
93.07037	2.5
95.04956	3.3
95.08600	2.5
95.47889	0.9
98.23444	1.5
101.03889	1.3
103.05421	3.2
104.02578	2.5
105.03393	1.0
105.04471	1.0
105.07030	4.6
107.04962	2.5
107.08570	2.0
108.05704	2.7
109.06487	1.2
115.05428	1.3
117.03396	1.7
117.06140	1.0
117.06982	1.6
118.04155	19.7
119.04936	86.5
119.08566	3.5
120.05252	1.8
121.02855	2.5
121.06510	1.9
121.10139	2.4
122.03655	1.2
123.04407	1.4
123.08051	2.7
129.03384	1.9
129.04515	0.8
129.06949	1.3
131.04916	2.4
132.02087	7.4
133.02795	1.7
133.06487	1.1
133.10104	1.8
134.03619	1.5
135.04395	5.2
135.07954	1.3
136.05196	6.8
137.05873	1.1
143.08514	1.0
145.02817	2.1
145.06538	1.2
146.03619	26.3
147.04401	70.1
147.08041	2.1
147.11674	3.5
148.04794	1.1
149.02330	18.0
149.05963	1.1
149.09589	2.6
150.03036	1.1
151.07516	4.0
157.03992	9.2
161.05917	4.1
161.09567	1.8
161.13234	2.5
162.03108	2.0
163.03838	2.7
164.04648	9.7
174.03119	28.5
175.03891	80.1
176.04288	1.4
177.01825	2.6
179.06999	13.9
189.09071	2.6
189.12726	1.7
192.04155	46.3
193.04628	1.7
207.06494	91.6
207.13817	4.7
207.17319	1.7
208.06844	2.4
208.09596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	Scoparone
Peak:m/z	Relative Intensity
51.11928	1.3
55.01857	1.7
56.08790	1.3
65.03934	10.2
65.04211	2.1
65.96827	1.4
67.05477	4.3
67.35780	1.6
69.03432	3.0
76.03109	2.7
77.03912	2.5
78.04671	3.5
79.05502	9.0
80.06258	2.0
81.07052	2.7
84.80927	1.6
89.03877	4.7
90.04675	3.7
91.05477	100.0
93.03349	1.8
93.07021	5.0
95.04962	10.5
95.08587	1.9
99.04452	1.9
101.03928	2.2
103.05460	7.9
104.02563	1.6
105.04478	1.9
105.07024	13.1
107.04936	8.0
108.05715	5.2
109.06526	3.0
109.10139	6.0
111.04429	1.8
115.05431	2.1
117.03382	1.4
117.06999	2.9
118.04168	11.2
119.04942	86.0
119.08545	6.9
121.02854	4.1
121.06488	4.0
123.08105	2.3
128.06198	3.6
129.04469	2.0
129.06987	4.2
131.04950	1.7
131.35306	1.4
132.02051	6.7
133.02844	2.3
133.06458	4.4
133.10132	8.9
134.03622	2.6
135.04411	5.6
135.08020	2.7
136.05190	17.4
137.09647	8.3
143.08530	5.9
145.02844	2.2
145.10127	2.5
146.03600	14.4
147.04408	59.6
147.08038	10.7
147.11688	1.7
148.05133	6.2
149.02324	13.0
149.05959	2.3
149.09544	2.4
151.07536	15.9
154.40855	1.6
157.03967	7.9
161.05984	7.7
161.09596	27.3
161.13174	1.9
162.03128	4.9
163.03897	3.4
163.07553	1.8
164.04683	10.3
165.09099	4.0
174.03113	6.0
175.03902	69.1
176.08275	4.3
177.05443	2.0
179.07028	22.8
189.09055	3.3
189.12706	1.7
192.04195	14.9
207.06502	76.9
207.10143	6.3
207.13849	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	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02371	1.1
55.01855	1.6
55.05498	3.0
58.83973	0.9
59.04972	0.9
65.03934	6.5
67.05505	5.5
69.03412	2.3
69.07072	1.1
69.31004	1.9
69.31403	2.9
71.04949	0.9
76.03127	1.0
76.85255	0.8
77.03919	1.3
79.05476	3.4
80.06257	1.0
81.07041	2.6
83.04956	1.2
85.02896	3.1
85.06548	1.6
89.03897	3.9
90.04703	1.9
90.27324	0.8
91.05474	91.8
92.05820	1.2
93.07065	4.3
95.04954	3.9
95.08608	14.8
97.06507	1.0
98.05539	0.9
101.03906	1.2
102.45679	0.9
103.05443	3.4
103.95783	0.8
104.02615	1.5
105.03318	1.2
105.07023	7.8
107.04939	2.1
107.08578	5.5
108.05738	1.7
109.06493	2.5
109.10145	2.6
116.06270	0.8
117.03407	1.3
117.07020	1.2
118.04128	4.5
119.04937	100.0
119.06747	2.2
119.08569	11.3
120.08104	4.4
121.02863	1.5
121.06480	3.5
121.08419	7.5
121.10135	3.8
123.08067	9.4
123.11694	3.3
127.70796	1.0
129.03365	2.0
129.04436	1.2
131.04909	1.4
131.08537	2.1
132.02051	8.0
133.02849	1.7
133.06468	1.7
133.10115	4.4
135.04410	3.3
135.08029	1.8
135.72307	0.8
136.05193	2.5
137.09648	1.8
143.08542	1.1
145.02782	1.9
145.10019	1.3
146.03595	5.0
147.04398	74.9
147.06285	2.6
147.08029	3.4
147.11678	8.6
148.04822	1.9
149.02351	9.2
149.09598	11.1
151.14720	1.5
156.09332	1.9
157.03960	9.1
159.11664	1.9
161.05968	5.5
161.09601	3.2
161.13289	6.6
162.03093	1.5
163.03926	1.6
163.11172	1.0
164.04677	6.9
165.09000	1.0
165.12794	2.3
171.11699	1.4
174.03117	4.1
174.10365	1.5
175.03896	91.8
176.04280	1.8
179.07030	9.8
189.07471	1.5
189.09053	1.9
189.12714	8.1
192.04178	9.6
207.06500	37.9
207.08189	1.6
207.13756	15.8
207.17596	1.4
208.13275	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	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02376	0.5
55.01874	0.7
63.02383	0.5
64.03156	0.6
65.03939	8.5
67.05502	1.0
69.03425	0.4
70.06596	0.7
71.04990	1.0
73.57703	0.4
76.03158	0.8
77.03928	1.8
79.05486	2.9
80.06271	1.2
81.07059	1.0
83.04938	0.4
85.06534	0.7
89.03908	5.2
90.04703	2.2
91.05476	100.0
92.05805	1.1
93.03410	1.0
93.07049	1.9
95.04974	2.1
95.08598	1.1
97.06532	0.5
99.04472	0.4
101.03888	2.1
103.05456	1.8
103.65584	0.4
104.02589	2.4
105.03393	1.2
105.04502	0.5
105.07026	4.9
107.04952	1.9
107.08569	3.1
108.05750	1.6
109.06525	1.2
109.10168	0.9
117.03362	2.0
117.07004	0.5
118.04162	5.0
119.04937	92.4
119.08572	4.5
120.05270	1.5
121.02869	3.3
121.06508	1.1
121.10132	1.1
122.03631	1.1
123.08079	0.9
129.03355	1.7
129.04509	1.5
129.06958	0.6
131.04932	1.1
131.08566	0.6
132.02074	8.8
133.02812	1.7
133.06447	0.8
133.10112	1.5
134.03612	1.0
135.04401	4.7
135.08086	0.4
136.05220	2.4
137.05965	0.4
143.08542	0.5
145.02881	2.8
145.10106	0.7
146.03616	3.2
147.04399	72.7
147.08040	1.4
147.11665	3.3
148.04710	2.2
149.02332	9.0
149.09596	2.6
150.02954	0.6
150.29825	0.5
151.07506	0.6
157.03969	10.8
159.11674	0.8
160.01588	0.8
161.05995	1.2
161.09576	1.6
161.13261	3.3
162.03102	1.3
163.03905	1.5
163.11183	0.7
164.04686	5.4
165.09082	0.4
165.12813	0.5
171.11699	1.0
174.03117	2.6
175.03896	83.4
176.04263	1.7
177.01852	1.4
178.02544	0.7
179.03479	0.6
179.07040	8.7
189.05447	0.6
189.09038	0.9
189.12724	1.9
192.04146	8.7
207.06502	30.3
207.09906	1.2
207.13718	5.9
208.06868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.29763	0.7
53.03942	1.2
55.01862	1.0
55.05512	1.3
65.03938	7.2
67.05496	2.1
67.58937	0.7
68.99773	0.9
69.03429	1.7
69.07047	1.0
70.06580	1.6
71.41303	1.0
75.75515	0.8
76.03129	1.0
77.03929	1.6
79.05495	4.0
79.57661	0.7
81.03426	1.7
81.07028	2.4
83.04969	1.2
89.03900	4.8
90.04710	1.6
91.05475	100.0
92.05811	1.2
93.07052	2.7
95.04953	3.3
95.60106	0.7
97.02901	1.0
101.03899	1.4
103.05467	2.8
104.02613	2.1
105.03398	1.8
105.04578	0.7
105.07028	9.7
107.04963	2.5
107.08595	1.9
108.05753	1.7
109.06501	1.1
109.37216	0.7
111.04448	1.4
115.05447	0.7
117.03397	1.7
117.06968	1.5
118.04157	5.8
119.04938	89.8
119.08566	6.0
120.05250	1.8
121.02865	3.9
121.06490	1.9
123.04409	1.9
123.08093	1.7
128.06209	1.4
129.03389	1.7
129.04453	1.8
129.06975	4.0
131.04964	1.1
132.02055	8.6
133.02875	1.8
133.06447	2.2
133.10097	2.4
135.04390	4.1
136.05215	2.0
137.02304	1.2
137.05916	2.4
137.06880	0.8
139.03917	1.6
143.08525	1.0
145.02812	2.0
145.06479	1.1
146.03650	3.7
147.04399	72.5
147.08040	3.8
147.11691	3.6
148.04820	1.4
149.02332	9.7
149.05986	1.4
149.09557	1.8
150.03076	0.9
151.07538	1.3
157.03966	11.6
157.06461	2.7
160.01517	0.8
161.05948	2.1
161.09605	1.8
161.13232	5.1
162.02927	0.9
163.03839	1.7
164.04645	4.8
164.89748	0.7
165.05267	0.7
174.03111	2.2
174.06758	1.7
175.03894	82.7
176.04213	2.0
177.01840	0.9
178.02649	1.0
179.03455	1.8
179.06998	10.4
179.10562	0.8
189.05421	1.1
189.09038	5.3
189.12692	2.1
192.04150	11.3
207.02853	1.3
207.06502	35.7
207.10135	5.1
207.13690	4.8
208.06990	1.0
223.36510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
65.03931	10.6
73.45553	0.7
74.32786	0.7
76.03149	1.1
77.03957	0.8
79.05470	1.6
80.06268	1.2
82.07901	0.8
89.03916	4.8
90.04663	1.1
91.05475	100.0
92.05780	1.5
93.03368	1.0
95.04980	1.3
101.03903	1.8
103.05469	1.9
104.02593	2.1
105.07054	1.0
107.01304	1.2
107.04927	2.9
108.05740	2.0
117.03383	1.9
118.04160	6.1
119.04936	98.2
120.05299	1.8
121.02839	3.1
129.03345	2.7
129.04428	1.5
131.04904	1.7
132.02072	7.5
133.02832	1.7
135.04413	4.8
136.05170	3.2
145.02850	2.2
146.03607	4.5
147.04399	76.5
148.04649	1.2
149.02321	9.7
150.03075	1.1
151.07520	1.4
157.03946	9.1
160.01584	1.3
163.03915	1.0
164.04713	8.4
168.15492	1.0
174.03125	5.7
175.03896	81.8
175.98558	0.9
176.04294	2.0
177.01868	1.0
179.07022	8.8
192.04155	13.7
207.06505	45.4
208.06894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
53.00317	0.7
53.03946	0.8
55.01846	0.6
55.90826	0.7
65.03940	8.5
67.05498	1.8
69.07057	0.8
73.15150	0.6
75.73532	0.6
76.03147	1.1
77.03928	1.4
79.05492	2.8
79.58870	0.7
80.06267	0.7
81.07038	1.0
83.04967	0.7
89.03906	5.0
90.04692	1.7
91.05479	100.0
92.05818	1.3
93.03403	1.3
93.07043	1.7
94.02229	0.7
95.04977	2.3
95.08596	1.4
101.03921	1.3
103.05462	3.5
104.02600	1.6
105.03407	1.1
105.07026	3.1
107.04952	2.2
107.08565	0.8
108.05724	1.3
109.06473	0.8
109.10159	0.7
113.00009	1.6
115.05440	1.4
117.03391	1.8
118.04149	5.8
119.04942	93.2
119.08594	2.3
120.05227	1.4
121.02881	2.6
122.03680	0.7
123.04434	3.0
128.06192	3.9
129.03333	2.4
129.04492	1.8
129.07021	3.5
131.04893	1.4
132.02080	7.2
133.02831	1.8
133.06503	1.1
133.10149	1.0
133.80533	0.7
134.03621	1.1
135.04419	3.5
136.05217	4.4
143.08572	4.5
145.02896	3.1
146.03656	4.1
147.04407	70.1
147.11703	2.2
148.05025	1.4
149.02342	10.8
150.03096	1.0
151.07538	2.7
157.03976	9.4
161.06050	1.8
161.09569	0.9
161.13354	0.7
162.46599	0.8
163.03894	2.2
164.04689	6.6
165.08983	0.8
171.08047	1.9
174.03104	4.9
175.03906	76.4
176.04390	1.4
177.01855	1.0
177.05479	0.9
178.02507	0.8
179.07042	9.5
179.08490	0.8
189.09100	11.7
189.12738	1.1
192.04160	11.6
192.09322	1.1
204.38199	0.7
207.06516	36.6
207.10103	3.3
207.11848	1.5
207.13821	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41219	0.5
52.90637	0.4
55.01876	0.6
56.05035	6.9
56.69295	0.5
57.03404	0.6
58.06598	16.1
64.38282	0.5
64.97917	0.6
65.03928	1.2
67.05484	1.7
68.02508	2.2
68.05027	1.1
68.18249	0.6
69.03405	1.0
69.73754	1.2
70.04064	1.3
76.97902	0.7
79.02970	1.5
79.05483	1.4
79.87350	0.5
81.04523	1.7
81.07035	1.7
83.06098	19.7
83.69434	0.6
84.04501	1.0
84.08134	1.8
85.05162	1.5
91.05471	6.2
93.07021	0.5
94.06554	0.6
95.04938	1.0
95.08579	0.9
96.08118	0.6
100.08731	8.3
105.07010	2.4
106.04061	0.7
107.04940	0.9
107.08587	1.1
108.05591	11.0
109.10206	0.6
113.00007	27.4
113.00800	1.3
117.07029	0.8
119.04936	4.6
119.08584	3.1
120.07996	0.6
121.03826	0.5
121.07632	0.7
123.08033	0.7
123.09180	2.3
124.05071	1.8
125.08226	31.0
127.01559	10.9
127.07273	0.8
130.96609	4.8
131.08559	0.6
133.06450	1.1
133.07561	0.8
133.10092	2.1
142.96614	4.3
143.08490	0.8
147.04408	3.6
147.06990	0.5
147.08067	2.6
148.07503	1.2
148.08679	18.5
149.02240	0.8
150.07722	1.2
151.07266	6.3
152.99501	1.4
161.07138	1.1
161.09621	0.8
161.13281	0.7
165.11346	2.8
175.03871	2.9
176.04611	0.6
179.10429	2.3
188.97061	1.4
189.09094	0.8
189.12558	0.7
192.04163	0.9
204.16483	0.6
206.93695	2.5
206.98105	1.5
207.02594	0.7
207.13519	100.0
208.06004	0.7
208.13759	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03917	1.6
55.05499	4.0
57.03428	1.0
57.07064	2.8
59.05003	1.2
64.59003	0.9
65.03923	2.1
67.01852	2.0
67.05503	7.3
68.99795	1.3
69.03423	6.3
69.07051	4.0
70.20485	0.9
79.05502	8.4
80.97829	1.2
81.07048	21.3
83.04969	2.4
85.02898	100.0
85.06522	1.9
91.05469	25.4
93.07039	8.6
95.01308	4.8
95.04939	3.4
95.08607	6.1
97.06504	1.0
103.94796	1.1
105.07021	28.0
107.04952	3.1
107.08582	13.4
109.06504	6.4
109.10149	17.3
111.04435	2.0
117.07030	5.2
119.04927	12.3
119.08575	31.4
121.06498	4.0
121.10137	20.8
123.04452	1.9
123.08064	7.8
123.11700	66.1
125.05976	11.5
128.06171	3.2
129.06972	3.3
130.07796	1.6
131.04912	1.6
131.08562	10.6
132.02007	1.7
133.06447	2.1
133.10120	6.8
137.09612	2.5
141.05469	1.4
141.06952	2.8
143.08551	3.8
145.10100	11.7
146.03561	2.0
146.07323	1.2
146.10873	3.0
147.02597	1.6
147.04399	11.7
147.08047	12.1
147.11668	34.9
149.02356	2.9
149.09596	17.1
151.03835	1.4
151.07515	7.8
155.08614	1.7
156.09343	10.3
157.03935	1.2
159.08034	4.0
160.08817	2.2
161.02307	1.1
161.05980	3.6
161.09604	7.9
161.13239	4.7
163.11148	7.0
164.04643	2.1
165.09073	1.2
165.12747	4.2
169.08601	1.2
171.11685	4.4
174.06744	1.7
174.10420	7.0
175.03886	10.9
179.03464	1.0
179.06989	3.6
179.14320	1.4
181.01321	1.7
189.05408	1.7
189.09117	2.5
189.12724	29.4
191.79654	1.1
192.04150	1.9
207.02802	4.7
207.04668	2.5
207.06425	9.3
207.10475	2.3
207.13777	71.6
208.13998	2.1
209.00772	4.5
226.23195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	(R)-(-)-Ibuprofen
Peak:m/z	Relative Intensity
51.02377	0.7
53.03935	0.8
54.24196	0.7
55.01864	1.6
55.05508	5.0
57.07074	1.4
57.46136	0.8
62.38816	0.7
63.79652	0.7
65.03930	1.4
67.05495	4.6
69.03438	1.7
69.07069	7.2
69.33617	3.9
71.04990	1.1
79.05490	5.2
81.03429	1.6
81.07041	4.6
83.04981	1.6
83.08643	0.9
85.02901	1.3
85.06543	0.9
91.05474	14.8
93.07042	4.8
95.04974	2.8
95.08605	8.8
95.12316	0.7
97.06544	1.6
103.05479	1.4
105.07025	25.4
107.04955	1.0
107.08585	5.3
109.06523	3.7
109.10178	1.7
109.96280	0.7
111.08112	1.1
113.00015	3.6
117.07012	2.6
119.04946	8.5
119.08572	39.3
121.06496	2.0
121.10147	11.1
123.08067	5.3
123.11697	1.4
128.06223	1.4
129.07043	0.7
131.08586	3.3
132.09395	0.7
133.06464	6.7
133.10123	29.0
135.08064	1.3
135.11682	3.6
136.05203	1.4
137.05945	0.9
137.09605	2.1
141.06992	0.9
143.08582	2.4
145.06479	0.7
145.10123	3.1
146.10855	1.7
147.04399	6.2
147.08051	6.7
147.11674	34.4
148.11975	1.1
149.02336	1.4
149.09602	12.4
151.07533	5.4
156.09354	3.9
159.08054	2.2
159.11626	1.7
161.09584	2.8
161.13245	100.0
162.13582	2.9
164.04723	1.7
165.09167	0.9
165.12772	2.5
171.11737	4.1
174.10417	3.9
175.03935	4.9
175.06949	4.3
179.07008	2.8
187.77634	0.8
189.12727	50.8
190.13010	1.3
192.04179	1.9
207.04373	1.9
207.06493	5.4
207.13786	66.8
208.14117	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03922	1.2
55.05504	6.8
57.07066	4.9
59.04992	2.3
65.03918	2.9
66.90245	1.1
67.05161	2.0
67.05500	31.7
69.03430	5.8
69.03754	1.0
69.07076	5.7
69.07393	0.8
70.28043	1.1
70.34006	2.0
71.04990	2.1
79.05473	5.5
81.07042	6.5
82.50410	1.0
83.04962	3.3
83.08638	1.2
85.02906	7.9
85.06535	8.1
91.04939	1.6
91.05476	22.9
93.07032	17.2
95.04960	5.7
95.08599	100.0
95.37794	0.9
96.08914	2.1
97.06553	1.8
103.05456	1.5
104.70452	1.1
105.07014	19.7
107.04981	1.6
107.08583	23.0
109.06506	6.0
109.10110	4.0
111.08116	1.2
113.05988	4.2
117.06975	2.5
119.04941	11.0
119.08575	29.5
120.09368	2.5
121.06480	4.4
121.09277	1.1
121.10134	19.4
122.12373	0.9
123.08063	61.6
123.11675	11.9
125.09623	2.0
127.38689	1.1
128.06223	1.4
129.06976	1.1
131.08513	5.9
131.54858	1.0
132.02043	1.2
133.06467	2.8
133.10152	6.4
135.08020	2.9
135.11638	3.2
137.09613	6.9
137.13240	2.1
139.07515	3.1
143.08553	2.2
145.10106	2.8
147.04390	10.3
147.08049	8.9
147.11665	14.7
149.09607	59.3
151.07507	4.2
151.14827	4.0
153.09055	1.3
156.09291	3.6
157.03992	1.9
159.07959	1.4
161.09579	3.3
161.13245	19.0
163.11148	3.3
165.09099	2.1
165.12718	11.1
171.11734	5.5
174.10349	5.6
175.03902	11.4
178.95029	1.2
179.06941	1.4
179.14291	3.3
187.84241	1.0
189.12737	22.1
192.04134	1.2
207.06497	5.0
207.13773	44.8
209.72192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89605	7.8
50.98220	8.3
56.96562	40.5
57.03422	9.6
67.05503	9.2
69.03418	10.7
69.07063	14.6
70.06589	64.1
70.10434	8.5
70.47054	9.4
71.04987	13.8
72.08119	9.4
72.70338	9.4
74.93158	61.4
76.92861	7.6
80.05002	19.4
81.03401	10.2
83.06062	12.2
84.08136	100.0
85.06420	31.3
86.06087	19.0
86.09710	78.8
88.07613	21.1
93.07024	9.7
95.08612	13.3
98.97559	9.7
109.10247	8.7
114.09192	18.4
119.01856	18.4
122.05982	8.5
124.07584	48.5
126.01099	12.0
129.10204	14.9
130.06491	11.1
132.08076	9.1
132.10194	58.9
133.96794	9.7
134.99640	10.7
136.54834	9.3
145.55379	20.0
146.11777	15.4
149.02721	11.7
150.05496	79.7
150.09033	11.2
151.54736	15.4
152.04448	10.0
157.03497	11.3
159.04970	20.8
160.55228	32.3
161.05125	17.0
162.05453	10.9
177.06085	12.5
184.05838	8.5
185.02901	38.1
185.04517	10.8
186.09753	20.1
190.04832	14.6
190.08582	11.6
203.01721	10.0
203.03937	20.6
207.14941	24.2
208.01395	50.6
208.05940	72.1
208.07993	10.5
208.09669	56.6
208.11513	13.5
208.15367	61.0
209.05894	15.3
209.12791	16.1
226.02478	33.7
226.06914	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	208.9725
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08064	5.3
71.18707	9.4
73.97549	5.9
82.71346	7.1
84.64236	5.8
87.53880	6.2
94.93010	16.9
176.05952	6.2
191.94592	37.8
200.55753	6.7
203.01443	7.0
208.97253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
50.43317	1.1
51.02367	1.4
53.03938	2.4
55.01869	16.2
55.05506	5.1
56.89339	1.4
57.03429	1.3
64.23156	1.2
65.03938	13.3
67.05508	6.5
69.03407	2.0
69.07056	2.6
70.06577	3.1
70.91289	1.6
71.04989	3.3
75.04481	10.4
77.03925	3.3
78.04704	13.5
78.09386	1.2
79.05489	9.9
80.05074	1.2
81.03413	2.8
81.07055	6.5
81.21303	1.0
82.04210	1.5
83.04958	3.9
83.08618	1.8
84.08165	1.3
85.02901	9.0
85.06563	1.5
89.03922	5.3
89.06028	2.6
91.05476	53.1
93.03402	29.0
93.03951	2.5
93.07043	19.8
94.04223	1.5
95.04966	26.8
95.08588	1.9
97.06525	13.9
98.22706	1.3
103.05463	22.2
105.03392	2.6
105.04543	6.0
105.07018	4.4
106.04169	80.6
107.04985	6.9
107.08590	5.5
108.05772	1.2
109.06522	6.8
109.10131	2.0
110.07251	1.3
111.04452	2.7
117.03380	4.9
118.04192	2.1
119.04954	5.6
119.08568	1.4
120.05753	1.4
121.06502	87.7
121.10143	4.2
122.07336	2.2
123.04420	5.4
123.08027	3.0
123.11697	1.9
124.03953	8.5
124.05225	2.3
125.05994	22.1
126.01075	1.8
131.04967	7.5
131.05882	1.8
131.08575	3.4
133.02863	2.0
133.10106	2.1
134.03633	13.2
135.04431	4.5
135.08046	2.4
135.11681	2.8
137.05959	11.8
138.06766	4.6
139.07516	6.0
145.02838	4.5
145.10124	2.8
147.04446	2.7
148.05194	8.6
149.05974	100.0
149.09549	3.0
149.13298	2.8
150.06325	2.4
151.03932	3.0
151.07536	4.4
151.11214	1.6
152.08344	1.8
153.05501	8.5
153.09087	16.7
163.03889	1.7
163.07565	4.9
165.05463	2.4
166.06238	3.9
167.08463	1.4
167.14330	3.2
173.09596	1.3
176.04649	1.3
177.05452	37.6
179.08513	2.4
181.08585	20.3
181.10056	2.4
191.06941	6.7
191.10667	1.4
191.14328	2.9
194.10924	1.7
207.85100	1.2
209.05923	8.4
209.08086	22.9
209.09766	1.7
209.13208	3.4
209.15370	8.1
210.07652	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	209.0807
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03941	4.8
55.01870	15.6
55.05494	2.8
55.67718	1.6
57.03431	2.1
62.72349	1.4
65.03693	1.4
65.03947	15.2
67.05501	6.8
69.03429	1.7
70.15659	1.9
70.15990	3.0
71.04992	4.2
75.04475	13.8
77.03935	6.1
78.04711	19.6
79.05502	10.2
81.07053	2.9
83.04978	2.4
83.08653	2.0
85.02917	12.8
89.03909	5.4
89.06035	2.2
91.05479	54.7
91.12443	1.6
92.02732	1.9
93.03407	41.2
93.07033	20.8
95.04962	32.1
95.05534	2.9
97.06529	15.1
103.05472	21.1
105.03373	2.5
105.04523	6.7
105.07027	6.5
106.04176	100.0
107.04971	11.5
107.08598	5.9
109.06516	6.8
109.10136	1.8
111.04370	2.9
117.03367	5.5
118.04189	2.6
119.04922	4.7
120.05711	2.8
121.06503	82.6
121.10130	4.0
122.07278	1.7
123.04429	3.9
123.08050	2.5
124.05161	2.6
125.05993	26.3
125.09624	2.1
126.01067	9.0
131.04926	6.3
131.08569	10.9
133.02843	2.2
133.06476	2.7
133.10210	1.8
134.03627	15.4
135.04411	4.4
135.08035	3.7
137.05978	14.6
138.06743	4.9
139.07532	6.1
145.02838	5.5
145.10110	5.0
147.04413	2.0
148.05157	9.3
149.05977	99.9
149.09587	7.7
151.03923	1.9
151.07513	3.0
152.08331	2.5
153.05537	8.4
153.09106	21.3
159.04393	2.4
160.72173	1.7
163.03931	2.0
163.07561	5.9
163.11140	3.2
166.06236	4.0
176.04694	2.8
177.05455	34.8
181.08577	18.5
191.06992	3.9
191.10675	4.1
194.05740	1.6
209.04189	2.2
209.05873	7.6
209.08073	24.9
209.11621	2.7
209.15338	3.5
219.13441	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	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02377	1.9
51.89049	1.3
53.03938	3.9
55.01873	24.5
55.05526	1.9
65.03693	1.2
65.03947	12.0
66.45989	1.4
67.05493	3.9
74.55094	1.4
75.04476	10.1
77.03918	6.5
78.04704	13.0
79.05485	6.8
81.03420	1.7
81.07066	2.7
85.02902	8.6
85.87476	1.4
89.03904	9.4
89.06017	2.7
91.05479	51.2
91.06055	2.5
93.03401	28.3
93.07032	21.5
95.04968	22.9
97.06527	11.6
102.90374	1.3
103.05470	28.4
103.08196	1.4
105.03369	2.0
105.04491	7.2
105.07022	3.0
106.04169	72.6
107.04958	5.5
107.08594	1.9
109.06507	5.8
111.04423	3.1
117.03392	6.8
118.04172	3.1
119.04929	6.0
120.05735	2.0
121.06500	80.8
121.10098	1.7
122.07307	1.8
123.04420	2.8
123.08068	2.5
124.05222	1.6
125.05994	19.7
131.04942	7.7
131.05818	1.5
133.02856	2.6
134.03612	11.6
135.04430	3.4
135.08043	1.4
136.05176	1.6
137.05951	9.8
138.03163	1.7
138.06750	4.0
139.07535	5.9
145.02831	8.9
147.04361	3.3
148.05209	11.8
149.05971	100.0
149.13231	1.7
150.06386	2.0
151.03903	2.4
151.07552	4.7
151.11237	1.4
153.05489	7.6
153.09090	16.5
159.04414	2.0
163.03818	2.6
163.07533	5.3
163.11226	1.5
165.05556	1.6
165.12726	3.1
166.06253	4.1
177.05453	41.4
181.08586	21.9
191.07004	8.6
191.14307	1.7
203.85155	1.3
209.06139	3.1
209.08044	20.5
209.15173	2.1
216.05424	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02383	1.2
53.03932	2.5
55.01873	13.7
55.05497	2.6
56.90198	1.1
65.03931	16.9
67.05493	5.6
68.99786	1.2
69.03423	1.7
71.04970	1.4
75.04474	14.5
77.03915	5.7
78.04704	17.9
79.05495	10.3
80.51786	1.0
81.03430	1.5
81.07035	3.5
82.04182	1.7
83.04982	2.0
85.02905	9.7
89.03893	8.3
89.06029	3.0
91.05474	52.1
93.03397	39.4
93.07036	15.7
94.04199	1.6
95.04961	29.6
95.08604	1.7
96.55717	1.1
97.06524	15.5
103.05460	23.6
105.03409	2.4
105.04500	8.0
105.07037	1.8
106.04164	92.5
107.04961	6.6
107.08602	1.4
108.05679	1.8
108.27544	1.3
109.06503	4.7
110.03619	1.7
111.04446	4.5
111.08072	1.2
115.29217	1.1
117.03329	5.8
118.04153	3.1
119.04923	4.2
120.05721	2.4
121.06495	86.7
121.10148	1.5
122.07328	2.5
123.04420	3.7
123.08044	1.9
124.05216	2.6
125.05982	25.1
125.06754	1.0
126.01020	1.3
131.04930	5.0
131.05975	1.6
133.02863	2.2
133.06461	1.7
134.03624	14.5
135.04378	3.5
135.08038	1.8
135.11688	1.4
136.05127	1.6
137.05962	14.6
138.06740	4.3
139.07492	6.4
145.02838	5.9
147.04393	2.5
148.05179	9.2
149.05965	100.0
151.03876	2.6
151.07570	3.7
153.05482	7.2
153.09084	19.5
163.07539	8.0
163.11192	1.6
165.05438	1.2
165.12775	2.1
166.06247	3.6
167.07060	2.0
177.05472	34.0
179.08536	1.2
181.08575	21.7
181.10089	1.6
191.06998	5.6
209.04475	1.4
209.05884	12.9
209.08069	17.8
209.13368	2.0
209.15251	2.7
224.52635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02380	0.1
53.03944	0.2
55.01619	0.1
55.01871	2.7
56.05024	0.3
57.03421	0.1
65.03934	0.9
67.05500	0.5
69.04543	0.3
69.05399	0.9
75.04479	0.7
77.03915	0.4
78.04702	1.1
79.05487	0.6
81.03411	0.1
81.07045	0.2
83.04961	0.1
84.05616	0.9
85.02903	0.7
87.50661	0.1
89.03909	0.7
89.06003	0.2
91.05483	3.8
93.03403	2.0
93.07038	1.4
95.04958	2.0
95.08569	0.1
96.05702	0.2
97.06077	0.1
97.06541	0.9
98.07146	0.1
103.05464	1.9
104.05009	0.2
105.03356	0.3
105.04513	0.7
105.07008	0.3
106.04166	5.5
107.04966	0.6
109.06484	0.8
111.04441	0.3
117.03351	0.7
118.04172	0.3
119.04919	0.7
119.05968	0.1
119.08598	0.1
120.05733	0.2
121.06502	5.8
121.34055	0.1
123.04423	0.3
123.08052	0.3
125.05975	1.6
126.01037	0.5
131.04893	0.6
131.06046	0.3
132.05688	0.2
132.06839	0.4
133.02835	0.1
133.06427	0.3
133.07571	0.2
134.03619	1.1
135.04388	0.2
135.08009	0.2
137.06038	0.7
138.06766	0.3
139.07532	0.4
140.02571	0.1
141.02139	0.9
141.44650	0.1
144.02090	0.2
145.02850	1.1
146.07051	0.6
147.04416	0.3
147.06644	0.3
148.05182	0.7
148.08647	0.1
149.05978	6.9
149.09648	0.2
151.03926	0.2
151.07405	0.4
152.08270	0.1
153.05460	0.7
153.09103	1.3
154.01631	0.2
159.04405	0.2
163.03870	0.3
163.07501	0.7
164.04889	0.1
165.02124	0.2
165.05409	0.2
165.12755	0.1
166.01663	1.1
166.06235	0.3
167.03720	1.6
167.06982	0.2
173.08232	4.9
174.09015	1.4
175.09778	6.6
176.04678	0.2
177.03935	0.2
177.05464	3.7
180.01955	0.9
180.03279	0.3
181.02716	0.5
181.08592	1.5
191.07030	1.1
191.09256	1.7
192.03201	0.1
193.02516	0.1
207.04330	0.6
208.05103	2.5
209.05884	100.0
210.06270	2.2
226.93661	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	209.0807
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02370	1.7
53.03941	3.4
55.01872	15.2
55.05524	1.6
65.03941	15.1
67.05494	5.6
69.75805	3.4
70.60384	1.2
71.04993	2.8
75.04478	12.5
77.03917	4.7
78.04707	18.0
79.05487	10.3
81.03419	2.0
81.07050	5.3
82.04197	2.0
83.04970	1.8
85.02896	10.5
85.52419	1.1
89.03899	6.9
89.06047	2.7
91.05474	47.9
93.03400	37.0
93.07036	21.3
95.04959	27.5
95.05525	2.2
95.08614	2.4
97.06520	15.1
98.22793	1.3
103.05460	20.7
105.03398	3.1
105.04512	8.3
105.07030	3.4
106.04167	96.5
107.04987	6.9
107.08608	2.4
108.05704	1.6
109.06488	7.4
109.10130	1.6
110.03671	1.8
111.04447	3.0
117.03374	6.1
118.04189	2.3
119.04940	4.4
120.05724	2.8
121.06496	79.6
121.10121	2.7
122.03652	1.3
122.07320	2.3
123.04427	5.0
123.08114	3.5
124.05202	1.9
125.05978	28.4
126.01076	1.9
131.04916	4.7
131.08553	2.0
133.02821	1.9
133.06456	2.2
133.10114	3.4
134.03621	14.2
135.04402	2.9
135.08058	2.3
137.05962	12.3
137.09608	2.4
138.03125	1.6
138.06790	3.9
139.07570	7.1
145.02837	5.8
145.10136	1.5
147.04401	3.1
147.40550	1.1
148.05208	10.7
149.05971	100.0
149.09547	2.6
149.13260	2.4
150.06505	1.3
151.03876	1.5
151.07547	3.8
152.08301	1.7
153.05493	7.9
153.09090	21.2
159.04297	1.4
163.03900	2.1
163.07527	6.4
163.11133	1.9
165.05502	1.5
166.06232	2.8
167.07053	2.8
167.14447	1.3
173.08263	2.3
175.09744	4.0
176.04749	1.8
177.05453	38.4
179.08427	1.2
180.07724	1.3
181.05022	1.1
181.08597	21.7
181.10091	1.5
191.07025	4.6
192.10156	1.3
194.02052	1.4
194.05864	1.8
209.04169	1.7
209.05901	45.3
209.08070	22.2
209.09776	1.9
209.13066	3.7
209.15479	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03940	1.3
55.01877	6.4
55.05510	5.1
57.03441	2.4
57.07080	1.0
59.36388	0.7
65.03943	2.3
67.05502	17.8
69.03428	2.0
69.07066	9.0
69.44528	3.1
71.04994	17.6
73.80178	0.7
76.24180	0.7
77.03929	1.5
79.05491	39.7
81.03443	2.0
81.07056	9.4
83.04977	11.4
83.08614	1.0
85.02912	1.2
85.06557	4.1
91.02142	0.9
91.05475	25.0
92.05790	1.2
93.03400	1.9
93.07038	30.6
94.07352	0.6
95.04964	12.6
95.08624	2.8
97.06532	6.9
98.22688	1.2
99.04479	1.2
103.05467	3.6
105.04517	1.7
105.07024	21.9
106.04171	3.9
107.04954	29.3
107.08589	36.1
108.08884	1.0
109.06504	6.0
109.10169	1.2
111.04439	7.0
111.08048	1.4
113.05981	1.5
115.05463	1.1
116.06226	1.6
117.07017	8.9
119.04960	0.8
119.06141	0.7
119.08576	13.2
121.06505	25.5
121.09265	1.3
121.10136	24.4
123.04435	4.3
123.08080	3.2
125.05990	13.7
125.09610	1.2
126.01073	4.1
127.03913	0.8
129.06999	6.8
130.07765	2.3
131.04955	1.7
131.08562	71.5
132.08937	1.2
133.06451	1.2
133.10112	1.2
134.03561	0.7
135.04396	2.5
135.08047	3.9
135.11685	7.3
137.05992	2.4
137.09630	1.6
139.07547	2.8
141.05472	1.7
143.07097	0.8
143.08571	1.4
145.06413	3.8
145.10118	39.3
146.10555	0.7
147.08046	8.0
147.11688	2.6
148.05203	0.8
149.05971	8.8
149.09610	100.0
150.10008	1.3
151.07553	1.0
153.05460	5.9
155.07118	0.9
155.08519	1.8
163.07507	5.6
163.11174	35.7
165.09109	16.9
166.09476	0.7
167.07030	4.1
167.10686	13.8
173.09613	9.1
173.13232	0.8
177.05484	2.8
179.10687	1.1
181.08572	1.6
181.12158	0.9
191.10663	54.5
192.10999	1.1
194.05768	1.0
194.33725	0.7
209.04245	2.3
209.05910	6.3
209.08063	1.9
209.11710	67.8
209.15286	2.8
210.04274	0.9
210.12083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03921	1.4
55.01868	11.3
55.05512	10.6
57.03426	2.3
65.03931	2.1
67.05503	16.6
67.38645	1.4
69.03412	4.3
69.07069	16.9
69.23425	7.5
71.04994	20.2
71.07985	1.6
77.03910	2.2
78.04686	3.1
79.05489	49.7
81.03405	2.3
81.07044	10.5
82.04076	8.7
83.01349	1.4
83.04419	2.8
83.04956	20.5
83.08598	3.6
85.02907	2.0
85.06533	2.1
87.04446	1.9
89.03893	2.8
90.03408	6.3
91.04948	2.2
91.05474	39.6
93.03378	4.9
93.07039	50.2
95.04959	24.3
95.08595	4.7
97.06541	9.8
99.04458	3.1
103.05435	5.6
105.04502	2.3
105.07028	28.0
106.04169	10.3
107.04953	29.9
107.08585	51.6
109.06503	9.6
109.10126	4.1
111.04429	5.0
111.08014	2.2
115.05418	1.6
116.02705	1.4
117.06999	7.9
119.04941	2.6
119.08570	11.8
121.06500	44.6
121.10131	34.1
122.07091	2.5
123.04404	3.6
123.08035	4.5
123.11683	2.2
125.06003	10.3
125.09597	2.6
126.01069	40.8
127.01314	24.8
128.00763	38.9
128.02190	13.0
129.01550	14.8
129.06992	6.4
130.07753	3.4
131.04884	2.5
131.08563	100.0
133.06476	1.8
133.10078	5.5
134.03609	2.4
135.04385	2.8
135.08018	5.1
135.11703	7.5
137.05945	3.6
139.07527	2.9
141.05417	3.5
145.06497	1.9
145.10110	44.1
147.08051	7.5
147.11693	3.1
148.05154	2.8
149.05028	1.9
149.05992	19.4
149.09608	93.3
149.13208	3.0
151.07524	4.7
151.11108	5.5
153.05475	12.4
153.09064	5.5
163.03922	1.9
163.07520	4.9
163.11180	32.3
165.09079	6.8
167.01816	2.6
167.07013	4.6
167.10666	7.4
167.14301	3.5
171.06671	8.2
173.08261	2.9
173.09627	5.7
177.05455	6.1
180.03194	2.6
181.03528	3.7
181.08617	2.7
182.02893	6.5
189.07736	2.0
191.06966	2.2
191.10652	51.0
191.12437	2.7
191.14113	2.8
208.04619	2.8
209.03990	38.6
209.05824	18.3
209.08061	8.9
209.11691	61.6
209.15027	8.9
210.04591	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.64137	0.6
53.03939	1.6
55.01889	3.2
55.05509	27.8
55.05783	1.3
57.03436	0.6
57.07067	2.9
59.05010	0.7
61.70732	0.5
65.03931	0.6
67.05499	13.8
69.03414	0.8
69.06778	0.4
69.07071	4.0
71.05004	1.1
77.03876	0.6
79.05489	12.4
81.07053	21.1
83.04977	100.0
83.08611	4.2
84.05334	0.8
85.06542	2.2
91.05471	5.9
93.07042	22.3
95.04967	2.2
95.08598	17.6
96.49628	0.6
97.06539	1.6
97.10191	0.9
99.08113	0.9
105.04555	1.0
105.07054	3.1
107.04939	0.8
107.08587	17.5
109.06514	2.4
109.10156	4.5
111.08076	6.7
111.24149	0.7
113.05962	0.5
117.07034	1.5
119.08592	1.4
121.06494	1.6
121.10138	9.6
123.08067	0.7
123.11665	0.7
125.09628	1.4
126.01112	1.0
126.26955	0.6
131.08530	3.1
133.10156	1.3
135.08063	3.4
135.11717	2.5
137.09602	0.8
139.07616	0.7
142.48347	0.6
145.10138	1.3
147.11687	1.4
149.09660	2.7
149.13237	9.1
153.09123	1.3
163.14804	6.2
165.12788	0.7
167.08612	1.0
173.13231	2.7
179.08545	3.4
181.10168	0.6
181.15895	0.8
191.14301	5.2
193.12183	0.6
194.10881	1.9
208.05020	0.6
209.05820	3.8
209.09439	1.0
209.13284	5.4
209.15421	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.57975	1.0
53.03939	1.5
55.01879	1.7
55.05508	29.7
57.03431	2.1
57.07067	2.4
59.04983	2.6
65.03909	1.5
67.05504	7.4
69.03418	4.2
69.07070	9.6
69.14024	2.5
69.14451	2.8
70.06595	1.2
71.04984	4.2
72.95654	0.8
77.03909	1.0
79.05487	11.4
81.03419	1.2
81.07055	10.3
83.04975	30.0
83.08620	16.6
84.04487	0.9
85.06528	1.6
90.03441	0.8
91.05478	9.8
93.03422	1.2
93.06447	1.9
93.07040	37.4
94.07330	0.9
95.04966	19.1
95.05532	1.5
95.08591	7.2
97.06535	7.9
97.10169	2.8
98.23426	1.6
99.04443	4.5
103.05453	3.1
105.04509	1.4
105.07029	7.4
106.04164	2.0
107.04951	3.2
107.08585	33.3
109.06512	13.4
109.10139	9.4
111.04430	1.0
111.08067	4.3
113.00047	1.2
115.74407	0.9
117.07041	1.0
119.04993	1.0
119.08566	5.0
120.05678	1.2
121.06519	9.2
121.10141	100.0
122.06033	1.1
122.10477	2.2
123.04438	1.0
123.08067	1.6
123.11713	4.7
125.05994	1.2
125.09654	5.3
126.01063	28.3
131.04964	1.4
131.08560	3.4
132.06868	1.3
133.07596	1.0
133.10109	4.8
134.03552	0.8
135.08051	3.7
135.11688	3.9
145.10107	2.6
148.05173	7.5
149.05978	5.9
149.09660	5.5
149.13229	3.9
151.11172	15.4
153.09077	6.3
162.03192	0.8
163.07518	1.0
163.08719	0.9
163.11218	2.2
163.14803	18.7
164.12071	0.8
165.05435	1.0
166.06303	1.2
167.07082	0.8
167.14308	23.5
167.15694	1.4
168.90477	0.8
173.13281	2.9
176.04730	1.6
177.05470	4.7
179.03236	0.8
191.10551	1.0
191.14288	8.2
193.14743	0.8
194.02341	0.8
194.05753	8.3
196.21249	1.0
203.22343	1.0
209.02335	1.0
209.05893	20.1
209.08099	21.1
209.11621	1.5
209.13396	1.7
209.15332	20.5
209.17209	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.30826	0.6
53.03936	1.0
55.01865	4.8
55.05255	1.1
55.05507	16.9
57.03436	1.5
57.07058	1.9
59.04984	2.3
59.40908	0.5
65.03937	1.7
67.05155	0.9
67.05496	10.5
69.03062	0.9
69.03425	8.4
69.07063	12.7
69.89048	2.2
70.07365	0.6
71.04984	6.6
71.54980	0.6
77.03915	1.5
78.04706	1.2
79.05488	10.0
81.03400	1.5
81.07053	14.1
83.04972	21.9
83.08607	8.2
84.05621	0.6
85.02917	0.9
85.06545	1.4
91.05473	12.3
93.03398	2.0
93.07040	12.9
95.04966	8.8
95.05540	1.1
95.08595	22.5
97.06531	6.3
97.10162	1.1
99.04455	1.4
99.08076	2.9
103.05443	3.0
105.04483	1.3
105.07019	9.5
106.04169	6.6
107.04942	2.3
107.08585	30.0
108.08940	1.1
109.06514	9.0
109.10143	14.0
109.33213	0.6
111.04430	1.7
111.08057	4.6
113.09638	1.1
115.05503	0.8
117.03386	0.6
117.07008	2.8
117.07929	0.5
119.06100	1.0
119.08567	5.2
121.06490	14.5
121.10132	26.3
123.08050	5.4
123.11681	4.9
124.26041	0.7
125.06007	2.4
125.09618	9.2
126.01030	3.5
129.06963	1.3
130.07687	0.6
131.04939	1.4
131.08542	5.3
133.06482	0.9
133.10114	10.8
134.03615	1.3
135.08040	9.3
135.11674	6.8
137.05983	1.1
137.09605	2.2
139.07574	1.0
139.11176	3.4
141.02080	0.8
143.08568	1.3
144.02008	0.7
145.02840	1.8
145.10100	5.4
147.08046	0.7
147.11659	5.0
148.05168	1.1
148.08862	0.9
149.05974	8.2
149.07047	1.0
149.09608	8.3
149.13249	12.4
151.11168	73.6
152.11545	1.1
153.05406	0.9
153.09074	2.1
158.10918	2.2
163.07553	0.9
163.11168	1.9
163.14775	5.0
165.12772	5.6
166.01581	0.7
167.03670	1.5
167.08553	1.0
167.10626	0.8
167.14297	10.6
173.08212	5.2
173.13245	10.0
174.08849	1.1
175.09770	9.1
177.05467	5.1
179.08539	1.1
180.01942	1.0
181.08591	1.5
181.10037	0.9
191.07057	1.1
191.09239	1.3
191.10742	1.0
191.14288	26.2
194.02118	2.0
194.05719	1.1
199.79558	0.7
208.05092	2.5
209.05888	100.0
209.07777	3.5
209.13292	1.8
209.15295	12.0
210.06256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.3
55.01854	2.9
55.05515	3.9
55.29465	0.6
56.64689	0.9
57.03441	1.1
57.07069	2.0
59.04987	1.7
65.03908	1.5
65.41148	0.7
67.05164	0.8
67.05500	9.7
69.03075	1.2
69.03429	15.5
69.07074	6.1
69.13845	3.5
71.04977	1.9
75.03276	0.6
77.03911	1.3
78.04691	1.4
79.05491	7.3
81.03419	13.2
81.06634	0.9
81.07055	12.4
83.04993	5.5
83.08605	1.6
85.02899	0.8
85.06499	0.9
91.05034	0.8
91.05484	10.3
93.03384	2.8
93.07039	10.3
95.04428	0.9
95.04971	13.5
95.08610	14.1
97.06530	4.1
99.08060	1.8
103.05460	3.0
105.04504	0.8
105.07028	8.1
106.04173	6.9
107.04919	2.5
107.08596	13.9
109.06510	13.5
109.10157	5.0
110.07265	0.9
111.04448	0.9
111.08069	1.5
117.07021	1.5
119.04953	1.5
119.06033	0.7
119.08578	6.4
121.06506	11.4
121.10140	18.8
122.07306	1.3
123.04418	1.2
123.08067	13.0
123.11711	8.7
125.05973	2.2
125.09614	1.8
126.01034	3.3
127.01630	0.8
131.04947	0.9
131.08553	2.6
133.10138	5.2
133.10989	0.9
134.03615	1.5
135.08093	4.4
135.11670	3.1
137.09595	7.0
137.13232	2.4
145.02888	0.9
145.10117	3.1
147.11685	5.0
148.05206	1.8
149.05984	10.3
149.07066	1.4
149.09616	12.4
149.13261	8.4
151.07491	1.2
151.11192	6.8
153.05417	1.1
153.09091	2.6
163.07515	1.5
163.11179	2.4
163.14781	1.6
165.12750	100.0
166.13159	1.3
167.03778	1.0
167.08334	0.7
167.14322	0.9
173.08247	3.9
173.13277	1.7
174.09074	1.6
175.09790	5.8
177.05502	5.3
179.41940	0.7
181.08606	2.2
191.09250	1.1
191.10724	1.0
191.14253	3.9
193.67273	0.7
194.05751	1.3
194.10794	0.9
208.05005	1.8
209.05905	76.7
209.07990	5.7
209.13441	1.6
209.15341	37.8
210.06316	2.3
210.15828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	3.3
55.01876	10.0
55.05510	73.4
57.03423	4.6
57.07078	2.8
59.04987	4.3
65.03931	3.1
66.93034	1.5
67.05505	15.4
69.03417	8.5
69.07071	8.2
70.53881	2.7
70.54221	2.4
71.04984	4.9
78.04721	2.9
79.05492	8.4
81.07059	21.5
81.93848	1.4
82.65621	1.6
83.04978	100.0
83.08617	41.6
85.06536	5.8
91.05468	13.3
93.03393	4.5
93.07048	16.7
95.04968	17.7
95.08601	12.6
96.05699	1.5
97.06523	17.1
97.10158	8.4
99.04452	1.5
99.08064	2.2
103.05458	4.4
105.07024	9.5
106.04185	12.2
107.04937	5.6
107.08592	23.9
109.06514	43.1
109.10154	24.3
111.04457	1.9
111.08077	10.3
112.08881	1.6
113.09624	1.9
117.03391	3.2
119.04916	2.2
119.08580	2.7
121.06519	15.0
121.10140	16.4
123.08056	4.0
123.11709	12.5
125.05968	3.5
125.09627	17.1
126.01034	2.4
131.04861	1.8
131.08542	6.9
133.10100	13.4
134.03673	2.6
135.00963	1.5
135.07140	1.5
135.08070	7.1
135.11685	1.5
137.05969	2.0
143.08549	1.4
145.10156	2.3
147.04472	2.1
147.11736	1.9
148.05182	3.0
149.04858	2.5
149.05975	18.6
149.09624	7.3
149.13237	10.8
151.11171	37.9
153.09099	11.8
163.11119	1.4
163.14838	2.8
167.14313	78.2
173.13203	4.1
177.05495	12.4
181.08624	2.7
190.43285	1.4
191.06987	3.5
191.14305	6.2
201.82227	1.5
209.04243	2.2
209.05959	3.7
209.08073	9.5
209.15343	35.9
210.15811	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	2.2
55.01871	4.5
55.05506	68.2
55.29383	0.7
57.03430	3.0
57.07066	2.4
59.04996	4.4
65.03922	1.3
67.05498	14.7
69.03423	8.3
69.07069	10.3
70.02286	1.8
70.02628	0.7
70.06580	1.0
71.04990	8.1
75.86853	0.7
79.05483	15.4
81.03410	1.0
81.07046	16.6
82.04060	1.9
83.04972	100.0
83.08613	31.9
85.06537	4.9
87.04474	1.2
90.03433	1.2
91.05466	11.1
93.03382	1.1
93.07034	15.7
95.04960	32.7
95.08601	10.7
97.06515	13.8
97.10162	8.4
99.04453	6.5
99.08059	1.4
103.05439	1.7
105.07033	10.7
106.04163	1.4
107.04947	6.8
107.08584	29.5
109.06509	30.6
109.10151	22.1
111.04423	2.2
111.08067	9.8
113.09634	2.0
117.06994	2.5
119.08593	4.7
121.06487	8.6
121.10135	19.6
122.07120	1.0
123.08078	4.6
123.11683	12.3
125.05971	3.0
125.09613	10.4
126.01044	7.8
127.01368	3.5
128.00754	7.3
128.02164	1.7
129.01537	3.4
129.06984	1.3
131.08560	22.2
133.10110	12.6
135.04434	0.9
135.08020	3.5
135.11668	2.9
137.09578	1.4
139.11121	0.9
145.10104	11.0
147.08038	1.9
147.11665	1.9
148.05226	1.3
149.05971	3.3
149.09607	20.3
149.13245	9.6
151.11168	33.1
153.05444	2.3
153.09097	15.3
158.10852	1.6
163.07487	0.9
163.11156	9.2
163.14774	1.7
165.09120	2.2
167.06865	0.8
167.10643	2.2
167.14297	69.5
168.14607	1.2
171.06659	1.7
173.09631	1.7
173.13277	6.1
177.05467	2.0
181.03575	1.0
182.02908	1.8
191.10658	9.9
191.14279	8.0
208.87961	0.7
209.04018	7.7
209.05840	5.6
209.08032	1.8
209.11775	11.2
209.15337	29.6
210.15674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.69467	1.3
55.01858	3.1
55.05508	8.3
57.07060	4.4
59.04998	1.6
59.57793	1.2
61.99707	1.2
65.03931	1.4
67.05499	9.0
68.73171	1.0
69.03426	10.5
69.07060	15.3
69.64126	1.5
69.64505	2.1
70.63309	1.1
71.04993	8.7
79.05489	10.3
80.05016	1.2
81.07048	16.4
83.04974	16.1
83.08607	5.2
85.06534	2.3
85.38985	1.1
91.05465	10.9
93.03371	1.3
93.07032	13.4
95.04958	8.3
95.08024	2.0
95.08603	30.0
97.06529	8.6
99.08093	4.7
103.05460	1.8
105.07014	12.4
106.04164	3.4
107.04967	3.0
107.08583	41.0
109.06516	22.1
109.10144	16.0
111.08070	4.2
112.53006	1.6
113.09692	1.9
117.07017	1.9
119.08566	3.6
121.06490	11.3
121.10136	38.8
123.08063	7.1
123.11679	4.9
125.06004	3.2
125.09607	10.0
126.01060	6.7
131.04974	1.4
131.08543	5.8
133.10126	18.1
135.08044	17.7
135.11670	7.2
137.09567	2.7
139.11185	2.7
143.08546	2.5
145.10114	4.4
147.11636	8.3
149.06010	8.1
149.09619	12.9
149.13246	19.4
151.11165	100.0
153.09116	3.0
158.10925	4.4
163.11220	1.5
163.14804	8.5
165.12758	7.7
167.03703	1.5
167.10568	1.3
168.62851	1.2
173.08267	2.2
173.13243	11.3
175.09811	3.2
177.05489	3.9
191.06963	1.4
191.14290	37.9
208.05199	2.1
209.04373	1.6
209.05894	43.3
209.07944	3.0
209.11594	1.4
209.15289	13.7
221.31561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	2.6
55.01870	6.9
55.05511	21.9
57.03440	2.5
57.07070	4.3
65.03951	3.8
67.05507	20.0
69.03426	18.7
69.07065	13.5
70.04567	3.8
70.04908	2.1
70.06599	2.8
71.04998	11.9
75.04493	1.9
75.59040	1.9
77.03925	2.7
79.05489	27.4
81.07055	49.1
83.04977	23.3
83.08620	5.2
85.06537	17.4
91.05478	35.0
93.03415	6.5
93.07043	54.8
95.04963	16.0
95.08603	39.4
97.06534	19.0
99.04472	5.4
99.08096	10.9
101.06013	2.6
103.05474	8.7
105.04565	2.6
105.07030	38.6
106.04182	12.9
107.04955	22.5
107.08591	100.0
109.06516	20.2
109.10162	28.8
111.08096	6.0
115.05516	1.8
117.07034	5.8
119.06091	2.7
119.08565	17.5
121.06509	28.3
121.09285	3.2
121.10146	47.5
123.08064	22.5
123.11711	5.5
125.05984	5.1
125.09621	6.0
131.04988	7.9
131.08559	31.2
133.10127	49.3
134.03613	3.1
135.08041	21.7
135.11662	8.4
137.05836	1.8
137.09636	7.2
139.07596	3.1
139.11179	11.5
143.08574	3.1
145.10115	14.9
147.11670	13.4
149.05981	20.4
149.09621	23.2
149.13252	51.6
150.13493	1.9
151.11177	39.6
153.09094	9.6
158.10970	4.1
159.04402	2.9
161.13293	3.0
163.07549	2.8
163.11092	8.0
163.14832	18.4
167.10722	2.3
173.09735	1.7
173.13246	27.2
177.05443	18.6
181.08559	1.8
191.06973	1.7
191.10728	3.5
191.14326	39.6
195.70494	1.9
209.05943	5.9
209.08145	6.7
209.11786	4.8
209.15338	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0602
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
55.01868	2.0
55.05510	3.1
55.73068	1.5
56.96555	3.3
57.03424	2.9
67.01849	3.4
67.05493	3.7
68.99780	4.3
70.06585	4.3
70.61588	1.8
70.61892	1.5
72.08150	1.7
77.03897	1.6
79.05486	3.9
80.05074	1.3
81.03413	2.4
81.07040	3.3
83.04963	2.3
85.02899	20.5
86.06076	1.8
89.68430	1.5
90.16415	1.6
91.05469	11.1
93.07034	5.5
95.04971	9.0
95.08571	2.0
98.97560	2.7
103.05458	3.7
105.03373	4.3
105.07020	2.0
106.17410	1.3
108.04525	1.8
109.02859	8.4
109.06465	1.4
109.10122	2.4
110.06015	1.5
111.05594	1.6
119.04970	4.3
121.06486	6.5
123.04430	21.6
123.06424	1.5
126.01020	2.2
127.03902	5.2
128.00792	2.4
137.05965	10.6
145.96628	3.6
147.04401	18.2
149.05954	9.1
151.03896	43.5
151.07454	1.9
163.97726	4.0
165.05472	17.4
166.06293	2.5
166.08528	1.6
167.07021	40.2
168.52246	1.4
169.04936	4.7
172.95273	2.8
175.03981	8.1
181.08594	8.1
183.54846	1.8
186.96796	7.3
193.04959	100.0
194.05339	2.0
201.71625	1.7
204.97801	4.3
205.98732	7.8
211.05934	37.6
211.07848	2.3
211.09297	2.1
211.14597	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	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09627	1.1
53.03944	2.1
55.01881	1.9
55.05511	2.0
56.96564	1.5
65.03950	1.4
67.05492	2.9
70.06586	9.4
72.08154	43.1
77.03925	1.3
78.04707	3.6
79.05486	3.1
80.05006	4.3
81.07043	3.5
84.08140	2.4
91.05475	17.1
93.07040	11.7
94.06572	2.5
95.04979	7.9
95.08611	4.1
99.04522	1.3
103.05465	11.9
105.04478	3.0
105.07025	3.5
106.04182	3.0
107.04956	3.0
107.08606	1.8
109.06534	1.7
109.10133	2.0
112.08745	2.9
112.80823	1.1
119.04958	1.7
121.06507	19.5
122.03645	2.8
122.09678	5.7
123.04443	10.5
124.05242	4.6
124.11183	2.3
131.06024	2.1
133.06526	3.0
134.03711	1.3
135.04446	1.5
137.05984	18.8
140.10712	15.5
142.12202	1.4
145.96686	1.6
147.04434	2.4
149.05968	30.0
151.03882	5.7
151.11142	1.6
152.04724	3.5
161.06001	5.4
163.97723	4.5
165.05511	1.8
166.06233	6.9
167.07033	100.0
180.07788	1.3
181.08578	25.2
181.98778	1.5
193.04890	1.6
194.15498	1.8
205.98796	4.5
210.18500	3.6
211.05670	5.1
211.09508	2.4
211.14507	1.8
211.18141	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	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03939	1.8
55.01862	2.3
55.05529	0.6
65.03940	1.3
66.04731	0.6
67.05497	0.5
69.03426	1.8
71.04997	0.6
71.41753	0.6
73.02917	9.5
73.32510	0.5
77.03910	2.5
78.04710	4.1
78.94508	0.5
79.05489	5.9
81.07053	1.5
82.67637	0.5
83.04972	0.5
84.05598	0.6
85.02875	0.6
90.03384	0.5
91.04942	0.8
91.05479	12.0
93.07041	10.7
93.07597	0.8
94.04176	2.1
95.04961	8.1
95.08593	1.3
96.05744	0.8
97.02892	0.6
103.05470	11.1
105.04494	2.6
105.07026	4.4
106.04162	3.2
107.04959	3.2
107.08607	0.9
109.02876	0.6
109.06515	2.2
109.10094	1.1
115.05457	0.7
119.04932	1.4
119.08571	1.1
121.06504	18.6
122.03646	2.5
123.04424	8.6
123.08027	0.8
124.05211	15.6
125.02341	1.0
126.01076	6.0
128.00757	4.7
129.01115	2.3
130.01883	1.9
131.05006	0.6
131.05954	1.0
133.06479	3.3
133.10107	0.7
134.03625	0.9
135.04398	0.7
137.05994	2.7
138.06764	0.6
139.07539	17.2
147.04338	0.7
149.05977	34.0
150.06696	0.8
151.03911	4.5
151.07527	0.8
151.11177	0.8
151.12331	0.6
152.04665	2.1
155.07007	3.3
155.08273	0.6
161.05974	2.9
163.07576	1.3
165.05469	47.7
165.06593	2.2
165.09074	2.7
166.06261	6.6
167.07031	100.0
168.07338	2.1
180.07809	1.7
181.08592	27.9
193.08585	9.3
193.10358	0.7
193.12212	0.9
210.04361	0.6
211.05627	1.6
211.07455	6.5
211.09641	6.0
225.86357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01863	1.7
55.05506	0.6
60.74882	0.4
65.03937	1.1
66.12498	0.3
67.05490	1.3
69.03419	0.4
69.07063	0.7
69.66484	0.5
69.66821	1.4
70.06577	1.1
70.35350	0.3
77.03918	1.4
78.04710	4.7
79.05494	3.6
81.03392	0.7
81.07044	1.5
83.04972	0.6
83.08595	0.5
84.05623	2.2
85.02892	0.6
85.65427	0.4
86.09684	0.4
90.03430	0.8
90.74601	0.4
91.05476	20.3
93.07038	11.1
94.04154	0.6
95.04958	5.9
95.08591	0.5
96.05676	0.5
99.00034	0.4
103.05463	10.5
105.03374	1.8
105.04506	2.3
105.07026	5.6
106.04180	2.8
107.04955	4.9
108.04403	0.4
108.05725	0.5
109.02820	0.5
109.06501	3.4
109.10155	1.0
115.05458	0.9
118.04156	1.0
119.04935	11.0
120.05676	0.5
121.06496	20.7
122.03632	1.4
123.04420	9.1
123.08076	1.4
124.05209	2.9
125.05936	0.5
126.01056	18.2
128.00737	2.1
131.06046	1.3
131.87241	0.4
132.05632	0.4
133.06512	4.7
133.07486	1.0
134.03638	2.3
135.04401	0.8
135.11707	0.4
136.05205	0.5
137.05974	5.1
137.09604	0.4
147.04443	2.0
149.05972	32.5
150.06383	0.5
151.03929	3.7
151.07539	5.0
152.04677	3.2
161.05975	4.4
165.05460	1.3
165.09081	0.5
166.06259	7.9
167.07027	100.0
168.07393	1.8
175.09789	1.7
179.06953	1.3
180.07794	1.9
181.08589	25.9
181.98985	0.4
182.08807	0.4
193.08565	1.3
194.04723	0.6
211.05592	1.8
211.07448	18.9
211.09589	4.8
212.09442	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	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.18835	1.2
53.03939	5.5
55.01869	6.1
55.05510	40.7
55.05785	2.0
57.03438	6.8
59.04997	1.8
67.05157	2.1
67.05501	28.5
68.51522	1.0
69.03429	8.1
69.07056	8.7
69.36253	4.0
69.36676	1.7
69.75258	1.1
70.96558	1.0
71.04989	6.0
74.80511	1.1
78.15634	1.1
79.05488	33.8
81.03412	100.0
81.07051	34.0
82.03745	1.0
82.84302	1.1
83.04974	49.4
83.08614	31.2
85.06539	2.6
91.05474	29.9
93.07040	15.9
93.51190	1.0
95.04965	30.6
95.08593	13.3
97.02911	2.3
97.06536	4.0
97.10162	6.8
99.08108	2.4
105.07016	24.9
107.04939	5.9
107.08603	6.2
108.53864	1.0
109.06509	5.0
109.10149	1.4
111.04467	1.7
111.08082	11.1
115.05453	1.8
119.08576	16.8
121.10116	6.2
122.18291	1.0
123.08069	2.7
123.11838	1.4
125.09647	1.2
129.07007	9.3
131.08562	9.2
133.06506	2.6
133.10118	11.5
137.09586	3.0
142.07784	4.3
147.08018	5.2
147.11664	16.3
149.09627	6.9
157.10107	17.2
165.12790	2.2
175.11179	15.7
193.12238	32.9
211.05637	2.9
211.13219	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	211.1329
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03934	1.8
55.01875	1.3
55.05513	5.9
57.07067	4.2
59.04995	1.9
67.05499	13.9
68.99786	8.3
69.03418	2.1
69.07067	12.9
69.22427	7.4
71.04985	1.7
71.08615	2.2
73.06551	3.5
75.04484	11.8
79.05483	4.9
81.03397	5.3
81.07055	26.9
83.04980	5.6
83.08617	1.8
85.06540	11.6
91.05482	3.1
93.07038	7.4
94.22261	1.0
95.04964	78.3
95.08598	25.9
98.22663	2.3
99.04462	3.2
105.07017	3.7
107.08595	8.5
109.06506	5.5
109.10144	23.9
115.07488	1.4
119.08595	5.8
121.06520	7.4
123.04433	2.7
123.11702	100.0
124.12077	1.3
125.09617	1.3
128.02640	2.4
133.10155	8.4
135.11671	3.5
137.09610	38.2
139.07524	15.1
139.43950	1.0
141.02872	1.0
143.08551	2.5
151.11180	17.1
161.09634	5.0
163.76311	1.1
169.10104	2.7
169.12196	3.2
179.10660	51.6
183.13792	2.0
187.00594	1.0
193.12340	1.5
207.05243	1.1
211.05594	4.8
211.07576	2.9
211.13176	2.1
211.14961	1.4
212.05859	1.3
232.35837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03938	6.0
54.37364	1.0
55.01875	7.2
55.05509	57.6
56.05040	3.1
56.96555	2.8
57.03428	8.7
57.07074	3.4
59.05021	1.8
65.03950	2.5
67.05499	52.1
69.03437	9.0
69.07070	17.5
70.98244	1.5
71.05004	7.0
79.05488	37.6
81.03412	100.0
81.07050	47.4
81.65762	1.1
83.04976	52.7
83.08615	38.2
85.02925	1.6
85.06537	5.2
91.05474	41.2
92.05823	1.3
93.07037	23.1
93.53174	1.1
95.04959	32.7
95.08604	34.9
97.02914	3.2
97.06522	9.0
97.10164	14.2
99.08086	3.0
104.51530	1.2
105.03383	1.3
105.04529	1.5
105.07026	27.1
107.04948	7.4
107.08613	11.3
109.06517	6.4
109.10153	11.6
111.04439	3.7
111.08067	15.2
117.06980	2.6
119.08564	21.2
121.06531	2.6
121.10139	8.9
123.08079	4.6
123.11696	2.0
125.09603	3.0
128.06213	2.2
129.07002	12.8
131.08549	14.6
133.06499	3.6
133.10123	15.8
135.11757	1.7
137.09595	3.3
141.07005	2.5
142.07784	3.0
145.10097	2.5
145.58800	1.1
147.08070	3.3
147.11671	16.9
149.09593	7.6
151.82835	1.1
157.10117	18.0
165.12781	2.5
169.10126	3.0
175.11197	13.5
175.14848	4.9
181.10194	1.8
183.11662	1.8
193.12228	35.8
193.15892	2.5
194.15321	1.9
196.12488	1.6
211.05692	2.6
211.13156	12.2
211.14891	3.3
211.16701	2.0
212.16409	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03940	0.8
55.05258	1.0
55.05508	13.1
57.07068	5.0
59.04996	2.0
59.27439	0.8
65.03938	1.0
67.05499	30.1
69.03422	7.7
69.07060	15.8
69.90875	2.5
71.04984	4.2
73.97697	0.7
74.97250	0.7
79.05476	6.7
81.03437	0.9
81.07050	28.5
83.04977	11.2
83.08614	9.7
83.88613	0.6
85.06528	4.3
91.05453	6.4
93.07030	12.8
95.04960	3.4
95.08598	41.1
97.06549	1.6
97.10152	2.5
99.08069	4.1
103.05460	1.3
105.07021	8.5
107.08588	27.6
109.06515	11.6
109.10145	100.0
110.10495	2.1
111.08067	4.1
113.09647	2.0
115.05514	0.8
117.07039	1.3
119.06118	0.8
119.08572	26.6
119.09425	1.4
121.06499	0.8
121.10130	9.8
123.08067	15.7
123.11698	10.6
125.09612	2.0
133.09341	0.5
133.10118	18.6
135.11685	69.5
136.12070	1.3
137.09605	14.8
139.11186	2.2
147.11641	1.4
149.06004	1.1
149.13257	5.3
149.80362	0.7
150.03194	0.7
151.02145	0.9
151.11166	12.3
151.14793	12.5
153.12724	3.1
155.04895	1.6
155.08504	1.0
165.12758	0.9
165.16386	2.2
167.06981	4.9
172.10072	0.7
175.14810	21.8
179.01648	0.9
183.04388	1.8
193.14119	1.1
193.15845	15.8
196.03673	1.1
211.04037	1.4
211.05910	2.1
211.07703	1.4
211.14963	1.1
211.16942	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.05513	17.4
57.07062	4.8
67.05167	2.2
67.05501	36.1
69.03424	10.3
69.07065	17.7
71.04992	3.1
71.42229	1.7
79.05473	6.3
81.07051	31.2
83.04973	13.2
83.08620	8.6
85.06532	3.7
91.05476	5.9
93.07029	11.8
95.04955	3.2
95.08601	47.5
97.06518	3.0
97.10168	2.9
99.08106	2.9
105.07011	9.1
107.08588	30.0
109.06503	13.0
109.10148	100.0
110.10499	1.5
111.08066	4.1
113.09659	1.5
113.29410	1.5
119.08569	22.2
121.10154	13.6
123.08051	16.6
123.11699	9.0
125.09572	1.6
133.10107	16.1
135.05516	1.4
135.11684	60.1
137.06004	1.6
137.09608	15.7
139.11137	2.5
149.13257	6.2
151.11159	9.8
151.14787	11.6
153.12675	2.0
165.16428	2.2
167.07050	4.5
168.05707	1.5
175.14824	19.4
185.45193	1.4
193.15851	15.0
211.05568	2.3
228.48077	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.4
57.07062	4.8
67.05167	2.2
67.05501	36.1
69.03424	10.3
69.07065	17.7
71.04992	3.1
71.42229	1.7
79.05473	6.3
81.07051	31.2
83.04973	13.2
83.08620	8.6
85.06532	3.7
91.05476	5.9
93.07029	11.8
95.04955	3.2
95.08601	47.5
97.06518	3.0
97.10168	2.9
99.08106	2.9
105.07011	9.1
107.08588	30.0
109.06503	13.0
109.10148	100.0
110.10499	1.5
111.08066	4.1
113.09659	1.5
113.29410	1.5
119.08569	22.2
121.10154	13.6
123.08051	16.6
123.11699	9.0
125.09572	1.6
133.10107	16.1
135.05516	1.4
135.11684	60.1
137.06004	1.6
137.09608	15.7
139.11137	2.5
149.13257	6.2
151.11159	9.8
151.14787	11.6
153.12675	2.0
165.16428	2.2
167.07050	4.5
168.05707	1.5
175.14824	19.4
185.45193	1.4
193.15851	15.0
211.05568	2.3
228.48077	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.13065	1.0
51.13314	1.0
55.05509	14.4
57.03422	2.1
57.07066	3.7
59.04979	1.7
67.05162	2.1
67.05501	24.9
69.03420	9.8
69.07069	16.3
69.43918	5.8
71.04981	4.8
72.32371	1.1
76.00416	1.3
79.05493	7.3
79.05882	1.1
81.07058	28.1
83.04979	10.7
83.08620	10.2
85.06532	3.2
87.08049	1.2
91.05474	5.0
93.07043	11.9
95.04961	3.2
95.08608	41.8
95.09209	2.1
97.06467	1.8
97.10155	2.3
98.23423	2.3
99.05539	1.5
99.08092	4.3
105.07023	6.3
107.08588	24.2
109.06512	10.0
109.10151	100.0
111.08076	3.6
118.58337	1.1
119.08569	24.4
121.10154	11.1
123.08066	12.1
123.11693	11.1
126.01079	2.0
127.11150	1.2
128.02644	9.4
133.10123	19.5
135.11687	68.2
137.09619	14.5
139.11168	3.2
149.13257	5.2
151.11185	10.1
151.14806	10.8
153.12692	2.8
165.16388	2.4
167.07027	1.4
173.08301	1.7
175.09763	3.1
175.14816	20.6
176.10081	5.1
178.13177	1.1
193.15875	19.7
197.57253	1.2
210.06371	1.5
211.05585	51.0
211.16899	1.6
212.05838	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	212.8517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41789	1.4
94.93015	13.3
99.61867	1.4
106.69657	1.1
112.89594	8.0
152.83638	1.4
192.87039	1.1
194.97005	1.1
196.04826	4.0
212.85191	100.0
212.97806	1.3
213.07428	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	213.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11653	0.8
53.71948	0.8
53.88909	0.9
56.96553	3.1
63.90694	0.9
70.06593	9.7
70.13906	2.3
71.06126	1.4
82.06578	1.0
82.99861	3.8
84.04495	1.4
84.08141	1.4
85.04007	6.2
85.07674	1.0
86.09708	15.7
88.07628	1.3
97.06493	1.5
98.97572	2.3
100.02521	1.5
101.00867	25.4
107.95961	0.9
110.00900	3.4
110.06045	2.2
111.04039	1.3
112.02455	2.6
114.99854	1.0
116.98603	1.1
118.03539	1.6
119.01913	91.7
120.02041	2.4
124.03561	1.8
127.03559	2.8
128.01939	9.4
129.02740	2.4
129.05096	7.1
130.03510	21.2
131.01910	1.2
137.01955	3.8
137.02939	24.5
137.97424	1.0
138.02728	9.3
142.03636	1.3
142.04555	5.4
143.03047	2.6
145.04564	10.6
146.03053	1.1
148.04536	2.9
153.05101	2.8
155.03011	37.9
156.03793	100.0
156.97469	1.8
157.03903	2.9
159.04854	4.4
160.05731	1.0
163.05640	15.3
166.03076	1.4
166.04594	22.1
167.05411	45.6
169.04596	1.9
170.06006	1.6
170.99030	2.7
171.04669	1.4
171.06143	17.6
172.04631	1.3
173.04079	9.0
174.04866	24.1
181.10646	1.0
183.04883	8.3
184.04022	2.4
184.05666	26.7
185.06459	42.0
186.09775	9.1
188.02733	2.9
188.07027	1.7
189.00104	2.8
189.05568	1.6
189.07228	1.7
196.04842	2.1
199.04379	2.3
201.05937	41.0
202.06708	1.4
203.07550	4.6
204.10794	5.2
206.03874	1.3
212.99997	2.1
213.04704	4.4
213.06642	1.1
213.12314	4.1
214.04810	1.2
214.09167	4.9
219.06976	12.9
231.01076	1.6
231.05721	46.9
232.06117	2.2
232.10262	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	213.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.8
60.04493	0.4
68.05006	1.7
70.06589	100.0
70.99689	0.3
71.06914	1.7
71.88948	0.3
83.97643	0.5
86.09714	0.4
95.06104	1.5
96.04460	0.4
98.97596	1.2
101.00874	1.8
107.70708	0.3
112.07602	0.9
112.08738	1.6
113.07127	12.5
113.09140	0.3
116.98605	0.6
119.01914	6.5
124.99107	0.3
125.07055	0.4
128.05559	0.6
133.04564	0.7
137.02937	1.7
139.01810	0.4
141.03355	0.6
143.04921	0.4
151.05666	0.4
152.05544	0.7
153.05084	0.4
153.88896	0.3
159.04422	0.6
159.06735	0.8
161.05937	0.4
166.02878	1.6
168.04471	0.7
169.02707	0.5
169.13396	0.3
169.29451	0.3
170.06697	7.0
170.99019	0.9
171.04416	1.4
171.06184	2.4
172.04526	0.4
172.06171	0.3
177.05193	0.4
177.07814	0.5
181.10802	0.8
184.03909	1.0
186.05403	0.4
188.07466	2.6
189.00066	1.4
189.05473	1.9
189.07239	3.7
190.07359	0.5
195.06155	2.6
196.04921	0.7
207.06522	1.0
213.00113	0.6
213.07181	16.6
213.13612	1.6
214.05032	1.0
214.07269	0.6
224.76201	0.3
231.08226	8.4
232.06015	0.7
232.08392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10804	9.9
62.98252	15.1
70.02715	35.7
70.06586	100.0
71.06931	13.9
75.08468	12.1
102.24737	15.1
112.08725	22.1
146.85732	10.7
174.98564	13.6
181.54442	11.2
196.04845	91.9
212.85208	62.5
213.07399	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0902
Annotation	Pinosylvin
Peak:m/z	Relative Intensity
55.05490	0.4
56.05031	0.4
56.52458	0.3
61.77950	0.3
67.05504	0.3
69.07066	0.3
70.06587	0.9
71.06112	5.7
71.40380	0.4
72.08146	0.9
73.06527	0.4
81.03421	0.4
81.07063	0.5
81.92304	0.4
84.05618	0.3
86.07191	1.4
88.07649	0.6
90.03428	4.5
99.00008	2.1
102.88017	0.4
107.06059	3.8
107.08569	0.4
108.04502	0.3
110.09637	0.4
121.07610	0.4
124.11224	0.3
125.09623	0.9
126.01058	100.0
127.01393	3.1
128.00751	3.3
128.02623	2.2
135.09164	1.7
143.03708	9.7
144.02101	1.2
148.97350	0.5
149.07117	0.4
155.38087	0.3
157.10141	0.3
167.07019	0.7
168.03223	0.4
171.06827	7.6
196.06276	1.8
213.07318	3.3
213.08987	66.5
214.09261	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
56.05031	0.4
56.52458	0.3
61.77950	0.3
67.05504	0.3
69.07066	0.3
70.06587	0.9
71.06112	5.7
71.40380	0.4
72.08146	0.9
73.06527	0.4
81.03421	0.4
81.07063	0.5
81.92304	0.4
84.05618	0.3
86.07191	1.4
88.07649	0.6
90.03428	4.5
99.00008	2.1
102.88017	0.4
107.06059	3.8
107.08569	0.4
108.04502	0.3
110.09637	0.4
121.07610	0.4
124.11224	0.3
125.09623	0.9
126.01058	100.0
127.01393	3.1
128.00751	3.3
128.02623	2.2
135.09164	1.7
143.03708	9.7
144.02101	1.2
148.97350	0.5
149.07117	0.4
155.38087	0.3
157.10141	0.3
167.07019	0.7
168.03223	0.4
171.06827	7.6
196.06276	1.8
213.07318	3.3
213.08987	66.5
214.09261	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03928	1.1
55.01867	1.2
55.05493	0.7
58.06582	1.4
65.03922	0.5
67.05495	0.9
69.03423	0.3
69.07051	0.6
70.06582	3.0
71.04983	0.3
71.40038	0.3
72.04504	0.6
72.08142	1.9
77.03925	0.6
78.04691	2.5
79.05035	0.6
79.05486	8.8
81.03403	1.4
81.07046	0.9
83.04967	1.0
84.04504	0.5
84.05616	1.6
86.09698	2.4
86.78155	0.3
88.07617	0.8
91.05476	4.4
91.40879	0.3
93.03370	0.6
93.07035	0.9
94.04160	0.6
95.04964	4.0
96.05759	0.4
97.02885	0.8
97.06522	1.1
98.97569	0.6
99.04443	0.4
100.02198	0.6
103.05457	7.5
105.04530	0.7
105.07018	5.4
106.04169	2.1
107.04946	58.5
107.08572	1.1
108.05295	1.1
109.02880	1.1
109.06523	0.6
110.03659	1.3
111.04440	0.7
115.05462	3.4
116.98604	0.7
117.04819	2.6
117.07013	1.5
119.04874	0.4
120.05712	2.5
121.06507	0.8
122.03679	0.7
123.04422	6.4
124.05210	3.7
125.05975	1.6
127.03934	1.5
128.00766	9.9
128.10706	2.8
131.04910	2.2
133.06499	0.7
133.07549	0.4
134.03621	0.7
135.04353	0.4
135.08049	15.2
137.05937	1.5
139.03888	0.6
139.07558	0.5
140.10666	1.4
145.07562	1.6
147.04407	1.3
148.97369	0.7
149.05972	0.7
150.09247	0.3
151.03873	2.1
152.04703	2.2
153.05434	0.3
153.07449	0.5
153.09044	0.3
154.06229	2.4
156.10204	2.1
163.07532	24.2
164.07944	0.5
165.05475	0.8
167.07027	100.0
168.07350	1.5
168.10106	1.4
169.07852	0.6
175.09775	0.8
180.07765	2.9
181.08600	0.4
185.11276	0.6
190.04022	0.3
195.10153	14.4
213.03955	1.1
213.07191	10.5
213.10487	8.7
213.16167	0.3
221.00069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01862	3.4
55.05504	18.6
57.03440	7.9
57.07045	2.7
65.03940	2.5
67.05497	74.0
69.07062	25.2
70.55509	1.8
71.04998	5.7
77.03919	2.0
79.05487	41.4
81.03417	2.2
81.07049	100.0
83.04986	7.6
83.08612	18.3
85.06539	3.5
91.05476	24.7
93.06445	3.4
93.07034	58.9
93.07602	3.2
95.04960	6.8
95.08595	23.3
95.81626	1.8
97.06522	13.2
97.10188	1.9
99.08135	2.0
105.06995	7.9
107.08584	29.0
109.06531	2.5
109.10123	2.8
111.08085	6.9
117.07008	13.1
119.08588	5.1
121.10137	12.7
123.08093	2.0
123.11698	4.3
129.07002	3.7
131.08566	12.8
133.10104	14.7
135.08051	2.7
135.11679	18.0
142.07779	2.1
143.08572	3.3
145.10121	6.9
149.13237	26.3
151.11270	1.9
157.10117	6.9
159.11682	16.0
167.14326	2.3
171.11656	4.6
177.12711	4.3
195.13789	6.1
213.16422	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03944	3.2
55.01859	2.9
55.05509	18.6
55.40401	0.9
56.94756	0.9
57.03437	8.5
57.07068	2.1
65.03942	2.9
67.05499	74.5
69.03438	1.3
69.06705	1.7
69.07064	21.6
71.04996	4.4
77.03912	2.0
79.05487	38.3
81.03411	1.5
81.07051	100.0
82.07378	1.9
83.04984	6.5
83.08613	17.5
85.02892	1.0
85.06540	4.6
88.07662	1.4
91.05475	25.4
93.07037	58.7
95.04976	7.0
95.08595	23.4
97.06525	12.7
97.10163	1.7
97.68901	1.0
99.08077	1.7
105.04508	1.1
105.07032	7.8
107.08588	29.8
109.06544	2.1
109.10156	2.1
111.08070	7.0
113.09650	1.2
117.07014	9.4
119.08546	1.8
121.06471	2.2
121.10132	13.5
123.11700	3.1
126.71310	0.9
131.08568	12.4
133.10117	13.6
135.08049	2.1
135.11687	13.6
147.11688	1.2
149.09622	1.5
149.13243	28.6
151.11185	1.1
159.11673	14.6
177.12726	5.4
186.00116	1.0
195.13766	5.3
195.15358	1.0
212.04507	1.0
213.12778	1.3
213.16461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03922	1.8
55.01866	18.9
55.05509	79.6
57.03409	1.5
57.07074	2.3
59.04980	2.4
67.05157	2.6
67.05502	37.0
69.03423	9.5
69.07065	20.5
71.04990	79.8
79.05494	28.3
81.03400	2.7
81.07057	47.2
83.04983	11.2
83.08617	51.6
85.06525	7.7
87.04055	1.5
87.04479	12.2
88.07596	2.7
91.05476	10.7
93.07043	22.7
93.32458	1.5
95.04956	3.4
95.08611	18.9
97.02913	2.1
97.06527	100.0
97.10165	69.7
101.05978	1.6
101.09621	2.2
105.07009	4.8
106.03252	40.6
107.08591	23.7
109.06490	3.0
109.10164	13.4
111.08057	6.8
114.96139	2.6
116.98622	1.8
117.06995	5.7
119.08546	3.2
121.06487	4.2
121.10137	5.3
125.09627	39.4
129.07011	3.4
131.08549	6.9
133.10130	7.0
135.08066	8.3
135.11688	11.7
147.11627	3.5
149.09590	2.2
149.13274	8.6
157.10118	3.5
159.11696	9.1
159.70657	1.7
167.14301	1.8
171.11778	1.6
177.12773	10.7
189.11166	7.2
195.13786	44.8
196.14156	2.0
213.13054	3.5
213.14807	98.9
213.82368	1.5
214.15115	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	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03943	2.1
55.01864	18.8
55.05508	76.9
56.05821	1.2
57.03434	1.2
57.07078	1.8
59.04987	2.6
61.02889	0.8
67.05499	27.3
68.63946	0.9
69.03432	9.9
69.07059	14.6
71.04987	69.4
79.05486	21.2
81.03413	1.6
81.06564	1.1
81.07050	32.5
83.04979	6.0
83.08614	48.3
85.06528	8.4
87.04455	10.3
88.07617	1.2
91.05477	7.5
93.07037	18.3
95.04951	2.5
95.08592	10.8
97.06525	98.6
97.10162	68.3
98.06890	1.4
101.05978	1.1
101.09646	2.9
105.07021	2.4
107.08583	22.5
109.06496	1.8
109.10161	13.9
111.08067	4.6
112.99998	1.2
114.22578	0.9
117.06999	4.9
120.15165	0.9
121.06488	1.7
121.10120	3.4
123.08047	1.6
125.09618	40.1
131.08530	3.6
133.10133	4.2
135.08022	6.0
135.11681	6.5
143.10728	1.1
147.11641	1.8
149.09656	1.0
149.13281	4.4
153.09087	2.1
157.10095	1.6
159.11717	5.0
165.12727	1.1
171.10156	1.1
171.11670	1.1
175.97394	0.8
177.12704	6.9
182.22943	1.0
189.11177	7.8
195.13785	43.3
195.15582	2.2
213.09050	2.3
213.14819	100.0
214.15295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	8.9
69.98338	1.0
70.06589	5.0
70.36572	1.2
70.36885	1.4
75.70351	0.8
82.99850	3.7
84.08125	2.0
86.09702	100.0
89.30419	0.9
97.06539	13.4
100.02436	2.1
101.00871	33.5
118.03515	9.5
119.01915	98.3
120.02058	3.3
130.03499	3.0
131.01932	4.8
136.04515	1.8
137.02959	25.0
137.64275	0.9
142.03520	1.8
142.08452	1.0
144.05051	3.0
144.08658	2.1
149.02905	1.2
154.03476	2.7
155.05510	3.7
162.09750	2.4
168.08665	3.8
172.04555	2.9
173.02971	1.6
173.06619	2.8
186.09752	67.7
187.10083	1.1
191.03963	1.9
191.07671	2.0
196.08157	2.1
197.06580	4.6
204.10802	24.8
206.68486	0.9
214.09241	26.2
215.07718	4.3
215.09573	1.7
232.10292	61.8
233.08624	2.6
233.10654	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	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01870	1.2
55.05509	48.4
55.15742	1.3
57.03425	3.5
57.07043	1.4
59.04982	1.1
64.32365	1.0
67.05165	1.5
67.05505	29.1
69.07065	44.1
70.00076	3.5
70.06606	1.2
70.07388	1.1
71.04980	4.8
73.06535	2.9
79.05492	17.3
81.07051	79.1
83.04985	6.3
83.08616	37.7
84.08167	1.5
85.06512	5.6
86.34621	1.1
90.94864	1.3
91.05474	14.3
93.07043	17.9
95.04989	1.4
95.08600	100.0
96.08921	1.9
97.06523	14.1
97.10158	13.1
99.05573	2.4
99.08092	3.5
101.05989	2.2
105.03377	2.5
105.07017	17.3
106.03693	2.0
107.08577	9.3
109.06507	3.4
109.10126	9.7
111.08084	3.9
115.07601	1.8
115.08810	1.4
119.08574	28.3
121.10110	6.3
123.08066	8.7
127.07520	3.5
128.00766	4.7
128.06155	1.3
130.02338	10.3
133.10135	16.3
135.11658	14.9
135.12628	1.4
137.06989	1.8
137.09598	6.1
137.13249	20.3
137.14272	1.4
141.09094	1.9
143.08536	1.2
150.06308	1.4
161.11894	1.7
161.13249	44.3
179.14326	8.1
196.16939	16.6
214.05591	8.0
214.18011	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	214.2529
Annotation	Tetradecylamine
Peak:m/z	Relative Intensity
50.25824	0.4
52.29434	0.5
55.05494	0.6
57.06818	0.8
57.07076	11.0
58.62780	0.5
67.01847	1.3
67.05505	0.6
67.11051	0.5
68.99786	0.5
69.03434	0.5
71.01353	2.9
71.08621	5.6
71.43476	0.6
74.09705	0.6
74.44624	0.5
78.30396	0.5
83.75735	0.4
85.10181	1.5
86.32690	0.5
95.01350	0.7
95.92413	0.5
103.05466	2.2
105.03380	0.7
109.29760	0.4
113.02371	0.9
128.00755	0.5
131.04921	3.6
132.95796	0.7
136.47885	0.5
141.06935	0.6
150.96843	1.3
188.64825	0.5
197.05986	2.6
210.79662	0.5
214.05721	0.9
214.25284	100.0
215.04926	0.8
215.07011	15.7
215.25623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05774	0.2
52.96802	0.2
57.03434	4.4
59.01378	0.4
59.13431	0.2
61.96039	0.2
63.02365	0.4
68.99787	40.1
70.00121	0.2
71.01363	0.3
71.40586	0.2
83.01336	11.3
84.01670	0.2
87.00821	0.6
89.43877	0.3
91.01839	1.4
91.43438	0.2
101.02377	15.6
103.05458	1.7
104.87971	0.2
119.01292	0.8
119.03415	8.6
119.04253	0.5
127.00272	1.1
129.01836	1.8
131.01291	0.4
131.04913	4.5
133.61169	0.2
141.06996	0.4
145.01305	7.4
147.00774	1.9
149.02377	0.4
153.01761	0.4
165.01817	3.6
168.46683	0.3
197.00848	0.9
200.20837	0.2
205.01254	0.4
215.01849	100.0
215.07033	2.3
216.02142	1.7
227.84409	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	215.0702
Annotation	4,5'-Dimethylangelicin
Peak:m/z	Relative Intensity
51.02369	0.2
59.07213	0.1
61.90120	0.1
64.92876	0.1
68.99783	0.2
69.83521	0.4
71.01348	0.4
77.03887	0.7
83.00953	0.1
89.26472	0.1
95.04951	0.7
102.04713	0.3
103.05462	37.7
104.05786	0.6
105.03396	0.2
105.04515	0.2
111.84531	0.1
113.02335	0.1
131.04919	100.0
131.97508	0.2
132.05249	1.8
141.06956	0.5
150.96834	0.2
155.04884	0.5
169.06422	0.2
173.05969	1.1
182.64372	0.1
197.05975	0.4
215.07011	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	215.1642
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.05508	27.5
57.03427	5.1
57.07065	4.1
57.83182	2.9
60.10491	2.9
64.85265	2.7
67.05504	34.0
69.07068	27.8
69.45518	13.8
71.04991	11.5
79.05492	20.2
81.07053	80.2
83.04271	3.0
83.04998	4.4
83.08181	3.1
83.08594	16.6
85.06543	9.5
91.05463	20.7
93.07050	21.9
95.08601	100.0
97.06518	22.1
97.10156	6.2
98.22755	6.5
99.08089	5.2
105.07008	24.1
107.08586	9.2
109.06509	4.3
109.10185	7.9
113.09632	4.8
115.07550	3.0
119.08565	35.2
121.10139	7.6
123.08081	7.0
130.92145	2.5
133.10136	22.5
135.11694	14.8
137.13254	10.5
141.09164	3.2
146.43457	2.7
161.13246	66.8
161.14529	5.0
179.14302	16.3
197.15312	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1595
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01873	0.9
55.05507	3.2
57.07070	1.0
59.04998	0.4
67.05504	0.4
69.03448	0.3
69.22312	0.8
69.22721	1.0
72.04497	0.5
73.02911	0.6
83.04980	4.6
85.06535	0.4
86.06060	1.0
86.09702	100.0
87.04471	0.7
87.10029	1.1
89.02410	0.4
89.06027	1.0
92.52080	0.3
98.98442	0.6
99.04429	0.5
101.06010	2.0
111.04447	6.5
113.06006	1.0
116.10728	0.7
126.09131	0.4
127.07536	0.7
128.10713	48.4
129.05461	2.6
129.11035	0.3
133.81912	0.3
137.05963	0.3
140.14346	0.3
140.54982	0.3
142.12335	0.4
144.52884	0.3
155.07021	8.5
155.08296	0.4
163.68950	0.3
170.11758	46.7
171.12138	0.7
173.08090	5.5
174.14906	6.7
216.12369	0.6
216.15916	1.4
217.08748	0.6
217.10661	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73132	1.2
55.05506	37.7
55.17665	1.0
59.04992	4.0
60.92010	1.1
67.05495	2.4
69.03413	2.8
72.08141	1.9
73.02895	3.1
80.50506	1.1
82.96252	1.1
83.04978	58.9
83.08611	2.2
85.06524	5.3
87.04455	5.2
89.02374	6.0
89.06027	10.4
99.04450	4.2
101.06019	21.6
111.04436	76.0
111.08052	2.1
113.06013	8.2
119.01885	2.9
127.07550	9.0
127.44373	1.1
129.05478	18.6
137.05908	2.0
155.07019	100.0
156.07388	1.6
156.97391	1.9
173.08083	55.8
174.08466	1.4
199.09549	6.1
209.11485	1.1
216.99644	1.2
217.04967	3.0
217.06828	64.6
217.10674	53.9
218.11063	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	217.0682
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
55.75287	1.8
71.36657	2.3
74.75422	1.6
76.67181	2.3
88.33356	1.8
115.99657	1.8
119.01888	3.2
150.66240	1.5
159.99704	2.1
217.06816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21309	1.1
51.68077	0.9
55.01871	6.3
55.05508	22.5
59.04996	2.5
61.04515	1.0
66.04340	1.0
67.05495	2.4
69.03418	2.2
70.56355	1.4
71.01340	1.8
73.02905	2.1
83.04974	36.9
83.08593	1.3
85.06538	3.3
87.04460	2.6
89.02379	4.8
89.06022	5.8
91.05458	6.2
93.07033	1.1
99.04458	2.3
101.06005	13.0
103.05471	1.5
105.07021	2.4
107.04949	1.4
111.04437	50.6
113.06029	7.3
115.05444	4.7
117.07039	2.6
123.72717	1.3
126.84839	1.2
127.05402	1.3
127.07519	8.0
128.05447	0.6
128.06216	28.8
129.05582	8.4
129.06996	62.8
131.04932	6.1
131.08589	3.5
137.05960	3.1
139.05432	6.6
141.06961	3.2
142.12285	1.5
142.95374	1.1
143.04929	2.2
143.08580	4.0
144.05724	1.5
145.06493	8.0
146.07259	3.6
147.08025	1.8
155.06039	3.7
155.07033	60.3
156.05685	7.3
156.07375	1.1
157.06479	77.4
158.06989	3.0
159.04388	2.8
159.08049	3.2
160.05211	4.0
161.06001	3.5
161.09615	4.4
167.04955	3.7
168.05714	1.9
171.08028	6.4
173.05959	5.7
173.08095	34.7
173.09607	2.1
174.06764	19.5
175.07539	12.3
184.05209	5.3
185.05972	36.7
186.06720	3.2
187.07536	1.9
188.08305	2.6
189.09102	42.2
189.10837	2.0
199.07541	21.1
199.09476	2.3
202.06250	17.2
203.06757	1.2
211.87715	1.4
217.08598	100.0
217.10703	28.4
218.08925	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	217.0859
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
51.21309	1.1
51.68077	0.9
55.01871	6.3
55.05508	22.5
59.04996	2.5
61.04515	1.0
66.04340	1.0
67.05495	2.4
69.03418	2.2
70.56355	1.4
71.01340	1.8
73.02905	2.1
83.04974	36.9
83.08593	1.3
85.06538	3.3
87.04460	2.6
89.02379	4.8
89.06022	5.8
91.05458	6.2
93.07033	1.1
99.04458	2.3
101.06005	13.0
103.05471	1.5
105.07021	2.4
107.04949	1.4
111.04437	50.6
113.06029	7.3
115.05444	4.7
117.07039	2.6
123.72717	1.3
126.84839	1.2
127.05402	1.3
127.07519	8.0
128.05447	0.6
128.06216	28.8
129.05582	8.4
129.06996	62.8
131.04932	6.1
131.08589	3.5
137.05960	3.1
139.05432	6.6
141.06961	3.2
142.12285	1.5
142.95374	1.1
143.04929	2.2
143.08580	4.0
144.05724	1.5
145.06493	8.0
146.07259	3.6
147.08025	1.8
155.06039	3.7
155.07033	60.3
156.05685	7.3
156.07375	1.1
157.06479	77.4
158.06989	3.0
159.04388	2.8
159.08049	3.2
160.05211	4.0
161.06001	3.5
161.09615	4.4
167.04955	3.7
168.05714	1.9
171.08028	6.4
173.05959	5.7
173.08095	34.7
173.09607	2.1
174.06764	19.5
175.07539	12.3
184.05209	5.3
185.05972	36.7
186.06720	3.2
187.07536	1.9
188.08305	2.6
189.09102	42.2
189.10837	2.0
199.07541	21.1
199.09476	2.3
202.06250	17.2
203.06757	1.2
211.87715	1.4
217.08598	100.0
217.10703	28.4
218.08925	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	217.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03635	0.4
53.03941	0.6
55.01881	1.0
55.05507	37.4
56.05033	0.5
56.96557	1.7
57.05799	0.6
58.06594	0.5
59.05013	2.1
59.67318	0.4
65.03948	0.5
65.04530	0.4
67.05497	2.8
69.03418	2.3
70.06589	1.5
70.98112	0.7
71.40475	0.5
72.08150	100.0
73.02904	1.8
73.06537	1.1
73.08476	0.9
80.38483	0.4
83.04976	39.0
83.08598	2.1
84.04510	0.4
84.05328	0.6
84.08149	2.3
85.06525	3.3
87.04455	4.7
89.02389	3.7
89.05518	0.8
89.06026	8.3
93.03430	0.4
97.02878	0.8
97.07679	0.7
98.97585	2.9
99.04457	3.1
101.00886	1.3
101.06009	16.3
102.70041	0.5
103.02454	0.6
105.07010	0.5
107.23254	0.4
111.04436	54.9
111.08121	0.8
112.04765	0.7
113.05998	6.5
113.10763	0.6
114.09171	1.9
116.07069	0.5
116.98597	2.3
118.08633	2.7
119.01910	6.3
120.02192	0.5
120.03277	0.4
127.07553	7.2
129.05473	14.9
134.99646	1.4
137.02956	1.5
137.05977	1.8
145.03421	3.3
147.06549	0.8
153.00768	0.4
155.07016	72.2
156.07347	1.6
156.11313	0.6
156.97437	2.2
158.08026	0.5
161.02968	0.6
163.04532	1.9
171.14932	1.0
173.08083	41.6
174.98573	2.1
175.03839	1.3
176.04189	1.1
189.02451	1.2
193.00177	0.9
193.04265	0.7
194.05232	2.6
198.98550	0.9
199.09625	5.3
212.06149	0.8
216.99596	1.7
217.04973	1.6
217.10716	37.7
217.15280	2.8
218.05183	0.9
218.10973	0.6
234.99841	1.0
235.10623	0.5
236.06204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52322	0.1
55.05505	0.2
55.06096	0.1
57.07070	8.0
58.06588	0.7
60.04510	0.1
62.06074	0.5
65.49026	0.1
68.05008	0.2
69.07063	0.2
69.79758	0.4
69.90056	0.1
70.06586	15.3
71.08627	5.2
72.08174	0.1
74.06078	0.3
86.06043	0.5
88.07621	21.0
88.48500	0.1
89.07970	0.2
98.23444	0.1
102.09168	6.4
106.08655	10.9
112.81083	0.1
113.05745	0.1
126.54288	0.1
126.75851	0.1
138.32634	0.1
153.47575	0.1
156.17468	0.8
174.18497	1.3
195.93932	0.1
200.20070	8.5
201.20436	0.2
218.21126	100.0
219.21497	1.8
219.68480	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	218.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	7.8
58.06588	0.8
60.04502	0.2
62.06080	0.6
64.98430	0.2
64.98775	0.2
68.04991	0.3
69.29391	1.0
70.06588	14.4
71.08630	4.8
74.06115	0.2
75.19706	0.2
86.06023	0.3
88.07626	19.8
93.64582	0.2
102.08524	0.3
102.09173	6.0
106.08661	10.4
108.22919	0.2
116.72221	0.2
119.53339	0.2
156.17416	0.5
174.18501	1.0
200.18222	0.4
200.20082	7.9
218.21136	100.0
219.21489	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	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11112	13.9
68.25188	14.0
69.09801	13.2
69.35686	14.3
82.64812	15.8
84.08115	23.2
94.06562	100.0
106.96503	16.7
111.77889	16.2
143.72823	16.6
219.02667	55.2
219.08302	48.7
234.86806	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	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.18068	0.5
53.00350	0.6
57.03428	1.6
57.26760	0.6
67.05495	0.9
68.53165	0.6
69.34092	3.1
73.64709	0.5
84.86872	0.5
85.02883	0.6
91.05479	10.9
103.05469	3.4
105.07030	1.4
106.82087	0.6
107.04941	0.8
115.05439	11.3
116.06232	3.2
117.07030	3.0
118.07769	0.7
119.08572	1.2
127.05449	0.6
128.06226	12.0
129.07001	46.3
130.07730	2.7
131.04927	9.7
131.08563	37.0
132.08954	0.6
133.06505	0.6
133.10135	1.1
137.05975	4.3
140.06227	1.2
141.06989	38.7
142.07622	0.7
143.04919	2.6
143.08546	2.5
144.05687	6.2
145.06479	7.9
146.07268	5.6
147.04382	0.9
148.05159	1.6
151.07555	0.7
155.04904	0.9
155.06041	2.2
157.06482	24.0
158.07272	22.1
159.04443	4.4
159.08046	29.1
160.05199	5.8
161.05951	1.4
161.09637	3.4
162.06805	0.7
163.07547	2.6
168.05675	0.8
169.06461	16.4
169.07489	1.3
170.07265	9.0
171.04459	0.9
171.08058	1.4
173.05981	6.2
173.09676	1.1
174.06757	82.4
175.07521	12.1
176.04649	0.7
176.08257	0.7
177.05452	2.0
185.06012	1.0
186.06757	18.6
187.07509	2.5
188.08342	3.8
189.09093	100.0
190.09505	2.1
191.07004	1.7
191.10667	8.4
201.09099	44.2
202.09476	1.2
203.14334	1.3
219.06601	2.5
219.10152	97.5
219.17355	5.0
220.10493	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.47341	1.1
63.57253	1.3
67.05492	1.7
69.19941	1.0
82.56216	1.0
91.05488	9.5
96.31408	1.0
96.56442	1.0
103.05461	3.1
105.07001	1.5
112.96531	1.1
115.05426	10.3
116.06234	3.1
117.06998	3.8
119.08578	1.3
121.10135	1.0
121.15183	1.0
126.64706	1.2
128.06215	9.4
129.07010	40.7
130.07785	1.4
131.04918	8.3
131.08568	38.2
133.10141	1.5
137.05954	3.8
141.06993	34.8
143.04921	2.4
143.08571	2.2
144.05688	5.4
145.06485	8.1
146.07288	4.3
155.04854	1.4
155.06003	1.9
157.06490	22.2
158.07265	20.8
159.04391	2.5
159.08055	24.4
160.05190	7.0
161.05988	1.3
161.09607	3.2
163.07593	2.4
169.06458	14.8
169.07700	1.9
170.07243	7.8
171.08006	1.6
173.05978	6.2
173.09584	2.5
174.06754	72.1
175.07524	12.2
177.05467	3.2
185.06030	2.2
186.06761	20.8
187.03918	1.8
187.07529	3.2
188.08327	3.7
189.09100	98.3
191.10677	4.7
201.09105	38.3
202.09431	1.7
203.14285	2.6
219.06578	5.6
219.10155	100.0
219.17284	7.3
220.10417	2.4
226.29640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	5,6-Dimethoxy-2-isopropenylbenzofuran
Peak:m/z	Relative Intensity
55.01876	0.9
57.03416	1.0
67.05500	1.6
70.31576	2.2
79.05511	1.5
81.07070	1.3
91.05474	11.9
93.01069	1.2
93.07065	1.2
95.04964	10.1
95.08595	1.7
103.05458	3.4
105.07034	3.2
107.04948	56.0
107.08585	1.8
115.05448	13.2
116.06271	2.4
117.07001	5.7
119.08562	1.8
128.06232	11.7
129.07002	42.6
129.07976	2.3
130.07794	1.9
131.04924	8.7
131.08563	39.6
132.05740	1.7
132.08844	1.2
133.10120	2.5
135.08046	64.6
137.05945	4.1
141.06975	36.5
142.07796	1.3
143.04909	2.8
144.05713	6.4
145.06458	11.1
145.10109	1.3
146.07243	6.1
147.08035	1.5
148.05183	1.9
149.09599	1.0
155.06056	2.5
156.05762	1.6
157.06482	20.3
157.07671	1.7
158.07266	21.5
159.04439	3.3
159.08047	29.4
159.11670	2.0
160.05150	5.1
161.05945	2.1
161.09621	3.7
163.07541	88.9
169.06470	14.8
169.07697	2.0
170.07257	7.6
171.08014	1.8
173.05946	5.8
173.09595	1.0
174.06758	81.8
175.07536	15.7
185.05879	1.1
186.06744	20.3
187.07498	2.4
188.08279	3.7
189.09093	96.1
190.09419	1.8
191.10661	6.6
201.09090	38.0
203.14290	2.1
219.10156	100.0
219.17389	9.1
220.10442	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03438	1.6
69.12003	4.8
81.07033	1.0
84.90526	0.7
85.80889	0.8
91.05473	10.7
95.04950	1.0
103.05424	4.1
105.06979	1.2
107.04942	1.0
108.20238	0.8
115.05428	11.7
116.06260	3.9
117.05537	1.1
117.07034	4.7
121.02863	1.5
125.88738	1.0
128.06209	11.1
129.06995	43.0
130.07732	2.4
131.04935	11.2
131.08557	41.4
133.10101	2.2
135.07982	0.8
137.05983	3.5
140.06123	0.8
141.06982	37.5
143.04889	2.1
143.08533	2.1
144.05681	6.3
145.06471	10.3
146.07272	5.5
148.05212	1.7
155.04897	0.9
155.06032	1.8
156.05675	1.4
157.06474	23.1
158.07268	27.0
159.04442	3.9
159.08051	29.5
160.05205	6.2
161.05972	1.3
161.09644	4.0
162.06700	1.0
163.07539	1.9
168.05713	1.4
169.06450	16.6
169.07593	1.1
170.07251	7.7
171.04350	0.8
171.08064	2.0
173.05930	5.4
173.09628	1.3
174.06752	81.0
175.07527	13.4
185.05902	1.7
186.06754	20.8
187.07437	2.6
188.08304	5.5
189.09090	100.0
190.09398	2.2
191.07013	1.4
191.10674	8.6
201.09090	45.8
202.09467	1.1
219.06561	5.0
219.10144	96.0
219.17392	3.0
220.10489	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01863	1.6
55.05485	1.2
55.56705	1.2
57.03450	2.7
57.69037	1.2
64.62714	1.4
66.72120	1.0
67.05500	2.0
70.55659	1.7
78.09238	1.2
79.05473	2.1
81.07041	1.6
84.36221	1.2
91.05467	14.1
93.07007	1.4
97.34180	1.4
103.03909	1.6
103.05443	5.0
105.07025	3.8
107.04954	1.9
115.05441	12.6
116.06199	3.6
116.96566	1.5
117.05460	2.3
117.06998	5.7
118.06541	3.6
119.08566	3.5
121.06477	3.0
128.06206	8.1
129.06999	40.1
129.07980	2.3
130.04126	1.8
130.07782	2.9
131.04904	9.2
131.08557	34.7
133.06465	1.8
133.10132	1.8
137.05974	2.8
141.05899	2.0
141.06984	32.9
144.05695	5.3
145.06473	14.5
145.10121	2.9
146.07281	4.8
147.04483	1.5
147.08037	2.4
149.06000	2.5
155.06017	1.5
157.05315	1.7
157.06490	19.6
158.03629	3.0
158.07257	19.9
159.04364	4.1
159.08035	31.6
159.11641	3.1
160.05173	5.3
161.06009	2.0
161.09592	2.6
162.09169	1.9
162.70676	1.3
163.07489	3.3
168.05695	1.3
169.06479	15.4
170.07269	8.6
173.05998	11.5
174.06750	75.0
175.07521	13.2
176.14345	6.9
177.05466	2.3
177.09108	3.1
186.06755	19.0
187.07541	1.9
188.08295	4.6
189.09091	100.0
190.09401	1.3
191.06972	2.7
191.10667	9.3
199.75272	1.3
201.05479	6.9
201.09088	36.5
201.16376	2.2
203.14328	2.2
219.06520	6.0
219.10130	94.8
219.13730	4.2
219.17374	13.2
220.10484	2.4
220.16959	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	219.1339
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
56.96552	0.8
58.42192	0.6
60.04522	100.0
70.54026	1.0
72.04501	0.8
72.08158	1.3
86.09699	67.4
87.05566	3.6
96.14746	0.7
98.06055	1.3
98.97594	1.8
99.05585	0.6
121.10152	0.8
126.09151	0.8
128.10724	2.1
132.10194	45.9
136.93117	0.8
140.10699	1.3
154.94231	1.1
156.07382	0.6
157.07579	0.8
158.11755	4.4
160.07982	0.9
172.95290	1.4
173.12849	22.3
190.12877	0.7
201.12276	3.2
203.14316	3.6
219.11375	1.5
219.13396	7.2
219.17386	11.7
223.25481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
55.01857	2.6
55.05512	6.4
55.49755	1.0
56.56898	1.0
56.96557	1.9
57.03410	1.9
57.07065	2.0
59.10155	1.0
65.03927	1.7
67.05500	10.1
69.03414	2.1
69.07078	5.7
71.04948	1.2
77.80116	1.2
79.05128	1.0
79.05492	13.1
81.07053	13.5
83.04967	3.0
84.08104	1.1
90.69906	1.3
91.05471	34.2
93.07043	15.1
95.04971	5.5
95.08601	9.1
97.06505	1.4
103.05449	2.3
105.07022	39.6
107.04946	2.4
107.08594	15.9
109.06480	3.9
109.10141	1.7
111.04350	1.6
111.08096	1.1
115.05444	4.4
116.06200	4.5
117.07018	39.5
119.07737	1.7
119.08572	27.5
121.06482	6.9
121.10117	6.2
123.08046	2.0
127.78269	1.1
128.06223	2.5
129.06993	13.8
130.07750	4.0
131.08560	100.0
132.08836	1.2
133.06467	2.6
133.10136	13.3
133.12195	1.4
135.07996	4.5
135.11617	1.9
141.07001	3.1
142.07739	4.5
143.08545	16.2
144.09352	7.9
145.06424	3.6
145.08969	2.1
145.10115	42.3
147.07997	4.0
147.11658	8.0
149.05927	2.9
149.09598	3.2
149.13156	3.7
151.07474	1.3
154.93153	1.1
155.08525	4.7
156.09369	5.3
157.10103	9.2
158.10912	10.9
159.08060	6.0
159.11673	18.5
160.08824	1.8
161.09669	7.4
161.13237	2.7
163.07497	3.8
163.11142	1.4
163.14766	2.2
168.09306	4.7
171.11653	7.7
173.09558	2.4
173.13249	95.6
174.13542	1.8
175.11159	7.4
177.09030	4.0
177.12708	6.7
183.11667	7.8
189.06927	2.1
189.12637	3.6
190.95265	2.3
191.08566	2.2
191.10449	1.3
191.14284	5.6
201.10999	1.4
201.12750	20.8
203.08379	3.6
203.14371	1.2
204.09373	9.9
219.07982	3.2
219.11627	14.8
219.13731	68.1
219.17047	7.8
220.14111	1.6
234.48326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
55.01860	2.1
55.05493	3.4
57.03419	1.9
57.07069	1.6
67.05505	8.6
69.03407	2.4
69.07046	5.7
70.00471	1.7
70.00768	1.9
79.05487	13.2
81.03384	1.4
81.07053	13.7
83.04967	2.2
91.04946	2.3
91.05475	34.2
93.07050	12.8
95.04948	4.4
95.08608	11.9
97.06542	1.7
103.05455	2.7
105.07024	33.8
107.04920	3.2
107.08587	16.8
109.06467	3.6
109.10162	2.2
111.04400	2.3
115.05429	3.1
116.06223	2.5
117.07022	30.3
119.04947	1.4
119.08576	30.5
121.06481	4.8
121.10139	4.9
123.08076	2.5
128.06247	2.1
129.07005	14.8
130.07741	3.7
131.04924	2.8
131.08560	95.0
133.06506	1.5
133.10109	12.5
134.53618	1.2
135.08035	4.2
135.11682	1.7
141.07013	2.0
141.16212	1.2
142.07784	6.4
143.08546	16.0
144.09337	8.1
145.06425	3.7
145.10114	39.6
147.08054	2.6
147.11681	8.8
149.05995	1.6
149.09610	2.5
149.13234	2.2
153.06952	2.4
155.08517	4.1
156.09325	4.3
157.10130	14.7
158.10924	15.4
159.08025	4.1
159.11694	19.7
161.09631	5.8
161.13229	3.0
161.28560	1.3
163.07545	3.0
163.14796	3.2
168.09329	4.8
171.11630	10.4
173.09570	3.5
173.13255	100.0
174.13583	2.2
175.11176	14.5
177.09068	1.7
177.12733	7.8
183.11670	7.3
189.07018	1.3
189.12738	2.7
191.08449	1.5
191.14294	7.6
201.12740	19.4
204.09232	3.6
219.11771	5.8
219.13779	65.5
219.17302	3.4
220.14139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03937	1.1
55.01865	1.3
55.05497	4.6
57.07067	2.4
59.62819	1.0
60.51554	1.1
65.03923	1.4
67.05504	7.8
69.03400	1.6
69.07060	4.3
69.60765	4.5
71.04971	1.0
79.05483	9.8
81.03396	1.2
81.07057	12.4
83.04984	2.4
91.05470	29.9
93.07037	10.4
95.04955	2.9
95.08603	9.6
97.06475	1.3
97.69023	1.0
99.04404	1.2
105.07020	35.4
105.07732	1.8
107.04942	2.2
107.08596	12.5
109.06491	1.8
115.05426	5.5
116.06205	3.5
117.07008	32.9
119.07748	1.8
119.08565	24.9
121.06466	4.9
121.10116	5.2
123.08028	2.3
128.06201	2.3
129.06989	15.5
130.07819	5.3
131.08556	100.0
133.06465	2.4
133.10112	9.9
135.08043	1.8
141.06950	3.0
142.07747	4.4
143.08549	15.2
144.09338	6.9
145.06432	4.5
145.10109	39.8
147.07990	2.5
147.11711	5.0
149.05980	1.3
149.09587	2.6
149.13232	2.0
153.06990	1.7
155.08522	4.1
156.09302	5.1
157.10112	7.9
158.10918	8.3
159.08041	3.6
159.11687	13.5
161.09596	5.2
161.13258	1.4
163.11142	1.2
168.09309	4.2
171.11710	9.2
173.13245	93.2
174.13586	2.3
175.11171	6.5
177.09193	1.1
177.12732	3.8
183.11679	5.8
189.12646	2.6
191.14325	5.3
201.12708	15.6
203.14221	2.6
204.09288	3.1
219.08124	1.1
219.11679	7.6
219.13750	46.3
219.17384	4.8
220.14021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
51.85034	0.8
53.03934	0.9
55.01882	1.1
55.05487	3.2
56.96551	3.6
57.07058	1.5
65.03912	1.3
67.05499	6.5
69.03404	2.1
69.07069	4.2
69.51468	4.2
79.05484	10.7
81.07053	10.8
83.04961	1.9
91.05473	33.6
93.07046	12.0
95.04959	4.5
95.08607	9.2
103.05457	1.1
105.07021	31.6
107.04916	2.4
107.08582	15.6
109.06493	1.3
109.10114	1.8
111.04522	0.8
111.08115	0.9
115.05438	4.5
116.06219	3.6
117.07011	34.2
119.08571	20.8
121.06480	3.8
121.10152	4.8
123.08095	1.1
128.06207	2.3
129.06105	1.1
129.07002	15.4
130.07785	5.0
131.08559	100.0
132.08835	1.1
133.06480	2.7
133.10124	10.6
135.08041	2.7
141.06969	2.0
142.07779	3.9
143.08556	15.9
144.09312	6.5
145.06445	2.6
145.10115	38.2
147.08012	1.9
147.11668	5.1
149.05975	2.0
149.09596	1.4
149.13251	1.6
153.06982	1.3
154.93155	1.1
155.08533	3.5
156.09285	2.9
157.10097	7.9
158.10899	8.3
159.08076	4.6
159.11697	12.9
160.08795	1.0
161.09610	4.6
161.13188	2.1
163.07513	1.4
163.14728	1.7
168.09373	4.1
171.11705	8.7
172.94182	5.0
173.13248	80.8
174.13612	2.5
175.11168	6.5
177.12712	3.2
183.11731	5.4
183.13075	0.9
189.12727	3.3
190.95247	5.1
191.10579	2.3
191.14308	3.7
201.12737	13.8
203.08485	1.4
203.14209	2.3
204.09265	3.4
213.96918	2.0
219.08092	2.1
219.11621	7.3
219.13762	44.2
219.17256	11.3
226.98257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29586	0.3
53.03940	0.3
55.01867	0.8
55.05497	0.5
58.02956	2.4
65.03941	0.4
67.05489	0.5
68.99795	0.3
69.07054	0.5
70.70511	0.3
71.04948	0.4
76.20332	0.3
79.05492	2.5
81.07053	0.6
90.05550	0.4
91.05479	3.4
93.07065	0.5
95.04960	5.5
95.08591	0.5
103.05495	0.5
105.03410	0.4
105.04481	0.5
105.07026	1.7
107.04948	100.0
107.08600	1.2
108.05285	1.4
109.06494	0.3
115.05457	2.3
117.07017	6.8
119.04921	1.3
119.08570	0.7
120.08127	0.4
121.02860	8.8
121.06490	0.7
121.10159	0.3
123.04430	1.7
127.01524	0.4
129.07007	0.3
130.07320	0.5
131.08615	0.5
132.08984	0.4
133.06479	0.7
133.10112	1.0
135.08044	48.4
136.08408	0.8
145.06490	10.3
146.06746	0.5
148.05128	0.4
149.02328	1.7
155.06050	1.8
161.05972	0.4
161.09525	0.3
161.13333	0.5
162.06519	0.3
163.07529	88.5
164.07851	1.3
175.07159	0.9
176.14359	0.6
177.12756	0.6
190.09416	0.9
203.14272	0.5
204.14645	0.7
205.15878	3.5
206.16292	0.3
219.17474	1.6
220.06082	0.5
220.09756	1.4
220.13408	0.6
220.17235	1.3
220.17906	1.4
220.20096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26856	0.3
55.01875	0.4
62.69432	0.3
71.41621	0.3
79.05486	1.5
81.07058	0.4
85.63139	0.3
86.24870	0.3
91.05463	1.3
93.07049	0.7
95.04971	9.7
95.08601	1.0
105.04483	0.4
105.07007	0.7
107.04951	61.9
107.08592	1.4
108.05299	0.6
115.05452	1.2
117.07021	3.7
119.08553	0.4
121.10207	0.4
123.04419	0.5
127.01530	1.9
130.73390	0.4
135.08047	72.1
136.08372	1.3
145.06471	3.7
147.67751	0.3
148.05211	0.6
155.06041	0.8
160.12086	0.3
163.07535	100.0
164.07898	1.9
203.14307	0.5
205.15903	2.0
210.93044	0.3
219.17416	1.2
220.09709	0.9
220.17734	0.7
220.20615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.48175	0.7
55.01868	1.7
55.05499	1.2
57.07072	6.9
59.05006	5.9
62.70982	0.8
67.05502	6.5
69.07065	5.4
69.11703	0.7
69.19077	0.6
70.02947	7.8
70.71876	1.2
72.04516	16.9
72.08141	0.7
73.02920	3.6
83.04979	1.8
85.06544	11.1
86.06062	0.7
86.09719	1.8
87.04469	1.2
87.08105	2.0
90.05553	100.0
91.05904	0.7
95.04962	6.8
96.08133	2.3
98.02413	17.9
98.06063	1.6
100.03970	2.4
103.07577	9.7
112.07582	0.8
113.06016	2.9
116.03454	14.1
124.07590	21.1
131.06995	0.8
140.10722	1.1
142.08641	7.7
151.62521	0.7
156.10222	1.3
158.11794	5.5
160.09695	2.1
161.99232	0.8
166.08646	2.4
174.11238	3.3
184.09689	19.9
202.10733	27.6
205.15871	2.1
220.11787	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	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.05495	0.8
56.01393	1.5
57.07076	5.6
57.13292	0.6
58.69001	0.6
59.05005	5.1
67.05499	7.2
67.42599	0.7
69.07062	4.7
70.02947	7.3
70.67654	1.1
72.04515	15.6
73.02919	3.8
74.02435	1.8
83.04987	1.1
84.08095	0.6
85.06538	9.3
86.09696	2.0
87.08093	1.7
90.05549	100.0
91.05891	1.0
95.04961	7.4
96.08126	2.1
98.01787	1.2
98.02410	17.1
100.03983	1.5
103.07571	8.3
113.06003	3.3
116.03454	12.1
124.07586	19.1
131.07028	1.0
142.08620	9.1
156.10222	1.6
160.09682	2.7
166.08649	1.9
174.11240	2.1
184.09694	20.1
198.09282	0.6
202.10724	28.4
205.15884	4.8
220.11763	24.0
220.17883	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	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
57.53759	0.2
69.27791	0.8
106.06543	0.2
107.04935	0.3
117.07010	0.2
118.06531	10.4
119.07320	0.3
120.08151	0.2
130.06534	0.2
131.08459	0.2
132.07121	0.2
132.08076	3.1
133.08859	1.3
133.88373	0.1
134.09647	0.8
135.07961	0.2
139.35849	0.1
144.08046	0.3
146.09627	3.2
147.10422	0.5
160.11220	0.5
161.12001	0.2
162.09128	6.0
163.07497	0.4
163.09821	0.3
176.10756	4.1
176.14331	27.4
177.11469	1.5
177.12906	0.2
177.14583	0.6
189.15079	0.2
190.12250	3.0
191.12871	0.3
202.15863	1.1
204.13847	0.3
220.16943	100.0
221.17308	2.1
235.07709	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	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
56.05005	0.6
56.60571	0.5
56.96559	1.6
57.07069	0.7
58.06604	0.6
60.04502	0.6
61.63427	0.6
63.89277	0.5
69.07050	0.8
70.06577	1.6
71.12714	0.8
74.02445	1.3
74.06053	0.7
75.02705	8.8
81.07043	0.7
82.02934	1.7
84.04481	2.5
84.05633	0.9
84.08091	0.6
85.06430	0.8
86.09686	0.7
90.05539	2.6
91.05859	1.1
92.05318	0.9
94.06562	7.6
95.06895	1.1
97.02340	0.6
98.97584	0.8
101.05875	0.9
116.98604	0.6
119.01877	1.2
119.08586	0.9
120.08103	1.4
123.02196	0.6
125.26784	0.6
130.06520	64.5
131.06850	0.9
132.04443	39.4
138.96394	0.7
148.07558	2.7
156.97479	8.6
157.07603	33.3
158.06003	79.6
159.06386	0.8
159.57825	0.6
174.98524	11.7
175.08656	100.0
176.07076	2.0
176.08960	1.9
186.05472	2.5
198.00281	1.3
198.98486	2.4
203.08180	9.8
203.11029	0.8
203.14418	0.5
204.06573	4.3
205.15828	2.3
206.16200	1.4
216.01152	1.1
216.99551	5.2
220.17882	1.2
221.01108	1.2
221.04767	1.2
221.09203	21.3
221.12723	2.3
221.18047	0.8
239.05824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.15679	0.4
67.05529	0.7
70.38229	0.9
75.36922	0.4
82.02954	2.0
91.05475	0.8
94.06569	3.9
95.08624	0.5
103.05418	0.5
104.04979	0.8
104.60023	0.4
115.05444	0.5
116.98601	0.5
120.08100	0.9
130.06525	54.1
131.06868	1.2
132.04449	37.8
138.08920	0.4
146.05952	0.5
147.09189	0.8
148.07549	0.8
157.06290	0.8
157.07605	22.7
158.06010	74.3
159.06328	1.2
175.08662	100.0
176.07144	2.2
176.08949	1.7
186.05545	1.6
203.08147	2.0
204.06531	3.8
205.15891	1.8
206.16257	0.8
212.45035	0.5
220.17973	0.7
221.09210	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50819	0.8
56.53153	0.6
56.96557	1.9
57.07065	1.0
61.01150	0.7
65.19136	0.7
67.05460	0.8
69.07036	1.2
69.66940	1.5
69.67316	2.6
70.06571	1.9
72.08145	0.9
73.04718	0.7
74.06063	1.0
75.02699	9.3
81.07046	0.7
82.02927	2.3
84.04488	2.7
84.05610	1.1
84.08135	1.6
85.06445	0.7
86.09700	0.8
90.05555	1.9
91.05873	1.6
94.06568	10.4
95.06886	1.0
98.97604	1.6
101.00851	0.9
101.05872	0.9
103.02156	0.6
103.05470	0.8
104.15537	0.8
105.07001	1.0
116.98608	1.1
118.03506	0.8
119.01944	1.7
119.08528	0.8
120.08067	1.2
121.01692	1.3
123.04406	2.4
124.07542	0.8
130.06519	72.8
131.01875	1.0
132.04440	44.0
133.04768	1.0
147.09166	0.8
148.07526	4.1
150.05885	0.9
150.09067	0.7
156.06657	0.8
156.97462	10.7
157.07602	34.3
158.06003	84.3
159.06342	1.0
165.09109	1.7
166.76872	0.7
174.98544	14.8
175.08658	100.0
176.07100	2.2
176.08997	2.8
179.02229	1.1
185.10052	1.3
186.05495	2.4
198.00171	2.4
198.98500	2.9
203.08145	9.5
204.06534	4.4
205.15875	2.7
206.16188	1.7
216.01155	1.0
216.99577	6.3
220.17844	2.6
221.01160	0.9
221.04810	1.0
221.09195	22.3
221.12730	2.4
221.14993	0.8
221.18452	0.8
222.11266	0.9
239.06343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.01868	0.9
55.05509	0.6
65.03931	0.6
65.63431	0.4
68.99792	0.8
69.03433	1.5
69.06141	1.5
69.06558	1.7
74.23766	0.4
79.05499	1.1
83.05000	0.6
91.05479	3.5
93.07038	1.8
95.04965	0.5
98.23415	1.0
105.07019	3.4
107.04981	0.6
111.04453	1.0
115.05457	6.2
116.06232	2.1
117.07022	6.1
119.08590	3.1
123.04426	0.9
127.88038	0.4
128.06224	3.7
129.07004	21.3
129.07982	1.0
129.76041	0.4
131.04979	1.0
131.08603	1.2
133.06456	2.3
134.07262	0.4
134.26469	0.5
135.08031	0.6
137.02338	0.5
141.06990	2.7
141.40225	0.4
142.07777	26.9
143.04922	3.7
143.08479	1.5
144.05695	4.8
145.06473	5.1
145.10080	0.6
147.04404	1.5
147.08038	3.4
147.11707	0.8
152.06219	1.4
155.08603	1.0
157.06511	6.3
157.10127	29.6
159.08119	1.0
160.05215	1.6
160.08870	0.8
161.05969	8.9
161.09628	1.6
162.06764	15.0
163.07523	1.8
167.08603	1.0
169.06448	0.8
169.07727	0.5
170.07262	5.7
173.06023	1.6
173.09583	2.4
174.06761	8.7
175.07545	21.0
175.11177	2.0
177.09105	47.8
178.09500	0.7
179.03391	0.9
185.09612	18.8
188.08328	5.1
190.09843	0.5
191.10718	0.5
203.10666	100.0
204.10992	2.2
221.11720	91.8
222.12051	2.5
235.19269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03955	0.5
53.88618	0.5
55.01859	0.7
55.05500	4.4
57.07072	2.6
59.04974	0.7
67.05486	2.4
69.03403	0.8
69.07057	9.3
70.19656	0.7
70.19981	0.6
79.05474	1.8
81.07057	4.7
83.04944	0.7
83.08604	2.9
85.02898	8.1
85.06523	1.0
91.05468	2.5
93.07036	3.4
95.04969	0.7
95.08598	5.5
97.06490	1.3
97.38662	0.4
103.83245	0.4
104.09492	0.5
105.07016	6.7
107.04945	0.9
107.08590	3.2
109.06499	6.6
109.10151	2.1
111.08068	1.1
117.07024	1.0
119.04951	0.9
119.08561	10.7
121.01633	0.4
121.06480	1.3
121.10133	5.2
123.04397	2.4
123.07257	0.8
123.08062	9.3
123.11685	2.0
125.05965	1.1
130.07703	0.7
131.08533	1.6
133.10112	20.7
133.68631	0.4
134.10440	0.5
135.08072	0.6
135.11673	3.2
137.05939	1.1
137.09602	1.6
137.13196	1.5
139.07556	0.9
143.08585	0.7
145.10152	3.7
146.10872	0.8
147.04370	2.7
147.08035	0.9
147.11667	0.9
149.02327	0.8
149.09616	0.9
151.07529	20.1
152.08246	0.5
157.10123	0.9
159.11684	1.9
161.09607	0.9
161.13242	40.1
162.13554	1.0
163.11182	3.0
165.05455	1.4
165.07845	0.7
165.09114	6.1
175.14787	2.4
177.12695	0.7
179.14302	5.4
185.13231	2.4
186.90906	0.5
192.73317	0.5
203.14326	3.3
206.10910	1.3
221.15335	100.0
222.15701	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	222.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60922	0.6
51.13352	0.6
51.62921	0.7
52.40927	0.6
57.07063	0.7
58.06588	1.1
61.89538	0.6
65.76067	0.7
70.06588	2.7
71.42970	0.8
72.08143	0.7
73.16468	0.6
76.70461	0.7
82.75197	0.7
82.93946	0.7
86.26491	0.6
95.82954	0.7
98.06030	0.8
101.00871	1.3
107.48273	0.6
119.01925	5.1
119.08501	0.8
120.95406	1.1
123.04417	1.6
130.06500	1.7
135.06616	0.9
137.02925	1.6
138.96375	5.7
142.03511	2.1
149.02344	1.8
156.97469	78.8
157.97562	1.9
160.04538	2.5
165.09123	2.4
174.98523	100.0
175.08557	0.6
175.98656	2.0
176.07080	1.1
179.99051	3.2
180.97453	1.7
182.02986	0.7
186.54936	0.7
189.07245	1.0
194.99022	2.9
198.00121	2.9
198.98524	22.4
199.98668	1.2
200.04042	0.8
200.63588	0.7
204.12433	1.0
213.00014	2.7
216.99567	47.5
217.99738	0.7
221.09247	0.8
222.00146	6.1
222.07530	2.0
222.10997	3.3
222.98535	1.5
225.04248	1.2
230.42670	0.7
240.01170	9.3
240.99593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
51.58419	0.3
55.05513	0.6
62.68234	0.3
69.14554	2.3
70.06604	0.3
79.05509	0.6
81.07048	0.5
84.08162	0.3
87.04472	0.9
89.45158	0.3
91.05490	1.1
93.07024	0.4
98.22717	0.8
103.05466	0.8
104.05005	0.4
105.06999	0.5
106.06487	0.4
118.06520	0.9
120.08102	11.7
121.06486	2.9
123.04416	1.6
130.06522	100.0
131.06834	1.7
131.08598	0.3
132.04445	17.3
136.11189	0.9
138.09096	0.4
148.07564	25.2
149.02319	0.7
149.07903	0.7
158.06004	28.9
159.06351	0.6
165.09120	1.0
176.07056	77.8
177.07396	1.6
204.06581	2.3
221.05928	0.4
222.07584	5.2
222.11224	1.4
222.14893	2.1
223.05939	1.1
225.04271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1124
Annotation	CARBOFURAN
Peak:m/z	Relative Intensity
53.03938	0.4
55.05510	7.8
58.02959	2.0
58.92446	0.2
59.02663	0.2
65.03921	0.3
67.05508	0.7
69.64510	0.3
69.64850	0.7
70.45599	0.2
73.56084	0.2
79.05487	0.2
81.03412	0.2
91.05479	3.9
95.04977	1.8
96.07549	0.2
105.03411	0.4
109.02853	0.4
111.04443	1.1
113.79514	0.2
119.04959	0.5
119.08591	3.0
123.04427	100.0
124.04764	1.3
137.05978	5.7
137.09634	0.4
147.08044	2.5
154.36798	0.2
165.09111	67.1
166.09418	1.2
190.01277	0.4
222.11224	3.3
229.80713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.05507	67.5
56.05828	0.6
56.96590	0.5
58.99587	3.5
70.24833	1.0
73.13657	0.4
74.58366	0.4
76.02224	1.8
83.08614	100.0
84.08977	1.1
86.99049	5.7
98.22717	0.8
101.09642	14.2
105.00085	7.6
118.06464	0.4
119.28805	0.5
120.08081	2.2
122.02713	1.7
130.06519	19.4
131.06898	0.6
132.04446	3.3
133.06578	0.7
135.83891	0.5
146.05991	0.5
148.07550	6.4
149.02298	1.4
150.71492	0.4
156.97514	0.7
158.06013	7.2
159.08287	0.9
174.98552	0.6
176.07051	16.4
179.52707	0.5
204.06445	0.4
205.08919	15.6
216.99644	0.5
221.96278	1.3
222.07553	1.5
222.11426	2.0
222.14903	0.6
225.04231	0.6
243.07034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16816	3.3
70.54740	4.6
73.04771	2.8
94.93005	4.7
184.70183	2.9
189.50140	3.2
204.97729	4.4
222.98807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0742
Annotation	Acetamiprid
Peak:m/z	Relative Intensity
54.70604	0.5
55.05504	0.6
56.05033	37.1
67.05480	0.9
69.03407	0.6
69.07048	1.1
69.15366	2.6
71.08606	0.6
72.12606	0.4
72.98470	0.8
79.05476	1.7
81.03394	1.3
81.07048	2.5
90.03436	6.3
91.04216	0.7
91.05466	1.3
93.07037	1.7
95.04949	0.8
95.08595	1.5
97.06503	0.5
98.11432	0.4
99.00013	2.6
105.06988	0.6
107.08575	2.3
109.06515	1.0
117.07062	0.5
119.08564	1.1
121.10177	0.8
123.04440	1.0
126.01060	100.0
127.01421	1.2
131.08551	1.5
135.11638	0.4
144.02095	2.0
145.10155	0.7
149.02327	3.8
149.09610	0.6
159.11768	0.6
162.01370	0.8
163.11159	0.6
165.06987	0.9
166.07796	0.6
179.08519	0.9
180.09256	0.6
181.05234	0.9
181.10080	2.8
187.09795	1.5
190.00864	0.8
193.10101	6.1
195.11674	1.4
195.13524	0.4
196.06247	0.6
206.04767	0.9
208.12430	5.3
217.47995	0.5
223.04065	2.1
223.07466	27.5
223.11020	1.9
223.13220	1.7
223.14969	8.4
223.16747	0.4
225.04324	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	223.0964
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
55.05504	0.8
56.04979	0.4
57.03426	0.5
57.07079	2.6
65.03936	3.5
65.59588	0.4
67.05499	1.8
69.07065	0.9
69.83579	1.3
69.83946	0.7
78.99502	2.8
79.05466	1.5
81.03429	0.9
81.07042	1.8
85.18615	0.4
91.05459	1.5
93.03410	1.1
93.07022	1.4
95.04967	1.5
95.08595	1.3
97.06607	0.5
98.22838	0.6
105.07000	0.7
107.04941	1.3
107.08587	0.8
109.06505	1.6
109.10143	0.8
111.04420	0.6
117.06992	0.8
119.08593	0.5
121.02853	8.4
121.03975	2.1
121.06429	0.9
121.10101	0.8
123.04503	0.5
126.01064	1.1
126.77919	0.5
127.01559	24.5
129.06999	0.7
131.08536	0.9
144.98196	0.5
145.10094	0.9
146.97845	0.6
149.02333	100.0
150.02669	1.4
153.09009	0.4
159.11682	0.8
163.11238	0.5
166.07690	0.5
167.03383	1.8
169.10133	0.5
171.95717	0.4
193.51657	0.5
222.95020	4.7
223.03964	0.5
223.07634	0.6
223.11058	1.2
223.13272	3.3
223.15149	0.8
223.16866	0.8
225.04280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.05507	100.0
56.68293	0.9
58.99577	8.0
61.01137	3.0
69.03391	1.8
69.07056	1.3
71.40466	1.0
76.26959	1.0
77.00620	11.7
79.05482	4.1
81.07025	2.6
83.08612	89.3
86.99039	4.2
89.00615	5.4
91.05463	2.0
93.06992	1.5
93.44950	0.9
97.02867	0.9
101.09651	3.9
105.00082	7.0
107.04948	2.8
107.08586	1.5
110.69872	1.0
110.73177	1.1
114.30548	0.9
115.05766	1.5
116.38587	0.9
123.01128	2.5
125.05957	1.1
125.08215	1.2
126.00951	1.1
127.01543	1.5
142.04384	1.4
149.02342	6.7
153.12663	1.1
159.08392	2.2
163.11177	1.2
205.08862	4.2
223.09499	2.7
223.14445	1.7
223.16867	1.3
224.07372	1.6
224.09621	28.9
225.04321	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	223.1691
Annotation	Chromolaevanedione
Peak:m/z	Relative Intensity
55.01860	3.2
55.05506	10.9
57.03423	1.8
65.03934	2.8
67.05499	9.0
69.03417	1.2
69.07055	5.9
71.04987	7.2
71.30641	1.1
77.16695	1.1
79.05481	8.9
81.07054	21.2
83.04972	12.2
83.08613	4.7
85.06535	3.7
91.05483	5.0
93.07032	15.2
95.04958	100.0
95.08595	14.1
95.63800	0.9
97.06522	36.7
97.10125	1.3
102.20468	1.1
105.07018	19.8
107.08587	14.8
109.06514	4.0
109.10154	6.7
111.08032	6.3
113.09624	1.9
119.08559	11.5
121.06476	1.3
121.10143	10.5
123.08084	1.7
123.11692	3.4
125.09586	3.1
131.08549	4.7
133.10136	3.8
135.08028	3.9
135.11673	4.0
137.09634	1.8
139.11171	2.9
145.10080	10.1
147.10564	1.9
147.11676	22.5
149.09621	2.2
149.13145	1.7
149.31468	1.1
159.11662	2.9
161.13229	4.6
163.11124	1.6
163.14793	2.7
165.12704	4.2
177.16347	1.7
181.10164	2.3
187.14764	7.8
193.10126	4.1
194.25748	1.1
195.11617	2.2
205.15822	7.7
208.12323	3.2
223.11006	3.4
223.14777	9.0
223.16919	21.1
225.04330	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	224.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02028	0.1
54.71172	0.2
55.09158	0.1
55.78410	0.2
56.05014	0.3
58.06588	0.5
66.78793	0.2
69.56864	0.7
71.20300	0.2
73.76653	0.2
78.34142	0.1
83.06087	0.7
84.98602	0.2
86.98946	0.1
96.08136	0.2
98.00595	0.2
98.09702	0.3
100.02208	1.0
105.03361	0.2
108.05547	0.2
112.27892	0.2
125.01687	3.2
125.08228	7.7
126.01105	1.0
130.16464	0.2
140.11780	0.9
142.04332	2.1
150.02589	0.2
152.09215	0.2
154.47685	0.2
165.11310	0.8
167.03841	0.2
167.84206	0.2
168.03365	3.3
183.05772	0.5
184.06511	0.7
191.11665	0.8
207.04387	0.3
222.68980	0.2
224.09622	100.0
225.05386	0.3
225.09909	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	224.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.4
58.06589	0.7
71.99096	0.2
81.07050	0.2
83.06101	0.8
84.98608	0.5
91.05449	0.2
97.41973	0.1
98.00642	0.3
98.09680	0.3
100.02187	1.1
105.86112	0.1
117.04826	0.3
121.65020	0.2
125.01696	4.2
125.08232	8.0
126.01066	0.6
126.01918	0.2
138.10236	0.2
140.11845	1.0
142.04335	3.6
150.02513	0.2
160.68056	0.1
165.11316	1.1
168.03366	4.7
176.09286	0.3
182.04913	0.3
183.05727	0.8
184.06511	1.1
191.11546	0.7
208.06586	0.2
224.09622	100.0
225.09888	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	224.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
56.05028	0.4
56.05827	0.3
58.06586	0.8
63.97826	0.2
65.85350	0.2
71.42926	0.2
71.99093	0.2
83.06103	1.0
83.08601	0.3
84.08931	0.4
84.98586	0.3
91.05460	0.2
93.01035	0.2
96.04467	0.2
100.02174	0.8
102.01232	0.2
108.05620	0.3
109.06416	0.3
110.09698	0.2
117.04843	0.4
120.88191	0.2
124.07542	0.2
125.01685	3.2
125.02548	0.2
125.08218	3.3
126.01064	1.5
127.01525	0.2
140.11826	0.5
142.04333	7.0
142.13243	0.2
148.08630	0.2
149.09518	0.2
159.66055	0.2
165.11311	0.6
167.03879	0.2
168.03358	1.3
182.04926	1.3
182.07481	0.3
183.05722	0.9
184.06502	0.4
191.11684	0.5
224.09621	100.0
225.05376	0.3
225.09882	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51090	2.0
55.01892	2.4
55.05504	4.5
58.02948	5.6
61.04024	2.2
65.03934	9.5
67.05497	5.8
68.05031	4.3
69.07067	4.3
71.04990	3.0
79.05477	12.0
80.05016	2.0
81.03419	2.4
81.07060	12.1
83.04987	4.6
84.04511	9.3
85.02914	9.8
86.06049	3.7
86.09722	3.1
91.05476	15.5
93.03407	13.9
93.07042	10.2
95.04956	10.9
95.08623	7.0
96.08125	26.0
97.06531	3.7
102.05548	3.0
105.07017	6.8
106.06571	6.2
107.04932	2.6
107.08570	12.0
109.06545	4.8
109.10148	5.2
111.03669	4.8
111.04440	100.0
116.98624	2.8
117.07047	3.0
119.04926	11.9
119.08562	4.3
121.02901	4.8
121.10148	6.9
123.04436	8.8
123.08057	6.7
126.01078	6.5
128.90947	2.3
130.04994	26.1
133.05275	3.8
133.10138	3.1
134.06036	5.2
134.09656	29.9
135.08005	5.3
135.11685	3.1
137.05920	3.7
137.09659	5.5
147.04416	9.6
147.08095	5.4
147.11748	2.9
151.03909	11.1
151.07516	3.0
151.11200	3.9
155.07071	3.2
161.13245	3.1
162.09134	34.0
163.11203	10.3
165.09087	6.0
165.12711	2.5
167.06987	2.5
168.06534	12.4
169.05083	2.2
175.03893	15.8
179.11801	7.0
180.06563	2.8
180.10094	3.9
181.12224	7.6
183.06554	2.9
192.04175	7.7
198.05290	2.1
207.06528	21.0
207.13760	3.1
208.09694	65.7
224.94627	2.6
225.07652	3.2
225.10081	8.1
225.12367	12.6
225.14586	4.6
225.19585	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	225.1484
Annotation	(6R,9R)-vomifoliol
Peak:m/z	Relative Intensity
55.01877	1.1
55.05494	1.3
55.77140	0.4
67.05508	2.8
67.12440	0.4
69.03411	0.9
69.07038	0.7
71.04968	0.7
79.05472	1.6
81.07054	10.5
83.04992	0.6
83.08620	0.6
84.04510	1.2
85.02899	48.6
85.03987	2.3
90.52174	0.5
91.05476	1.7
93.07054	2.5
95.04968	0.9
95.08598	2.2
100.11251	3.8
105.04482	1.3
105.07018	1.7
106.05289	0.7
107.08589	2.9
108.22699	0.5
109.06511	0.7
109.10145	5.2
119.05000	0.5
119.08624	2.4
121.02895	0.5
121.10149	4.7
123.05547	0.8
123.08118	1.1
123.11698	37.6
125.06030	3.2
126.01041	1.6
131.08508	0.6
132.05600	0.5
135.08073	1.0
135.11726	1.0
137.05986	0.5
137.09621	0.7
141.02133	21.1
141.05525	0.5
142.02979	2.6
144.02089	0.9
145.10130	0.6
146.07112	2.0
147.04465	0.7
147.06630	1.5
147.08029	1.6
147.11632	1.7
149.09602	4.1
151.03835	1.6
151.07491	1.3
152.01334	1.0
153.02170	1.1
154.12251	1.6
155.03572	0.5
161.08295	0.8
161.13235	0.7
162.09010	1.2
163.11189	1.1
165.09047	1.4
165.12811	1.0
166.01659	3.5
167.10802	0.5
167.65858	0.5
168.03320	0.7
169.08525	0.5
171.06721	1.0
171.14870	0.9
173.08194	1.9
174.06659	0.9
175.03906	0.9
180.03215	6.1
181.02808	0.6
181.12193	0.5
183.04343	1.0
189.07689	1.4
189.12695	1.7
189.32364	0.5
190.01657	1.3
190.08463	0.9
191.09261	8.9
192.04141	0.6
195.04349	0.9
197.05905	0.8
207.04321	39.7
207.13770	6.6
208.02711	3.7
209.05804	0.6
225.05365	100.0
225.14925	1.9
226.05728	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
54.53792	2.7
55.01873	5.1
55.05505	7.1
57.07076	3.7
59.26586	2.7
63.60423	2.9
65.03944	2.5
67.05501	20.4
69.03439	8.7
69.07079	7.1
69.23812	16.1
71.04987	13.6
73.52152	2.7
79.05495	16.9
81.07059	38.3
83.04987	6.2
85.02900	30.1
85.06528	12.8
91.05482	44.2
93.07040	45.6
95.04979	11.0
95.08611	21.8
96.04535	2.9
97.06550	5.9
99.04452	6.2
99.08094	2.6
105.04526	3.1
105.07022	45.3
107.04971	9.9
107.08591	100.0
109.06502	22.0
109.10136	16.4
111.04438	3.5
111.08066	4.0
118.04153	2.6
119.04951	18.2
119.06052	7.3
119.08585	42.4
121.06512	28.3
121.10141	45.7
123.04456	6.4
123.08022	14.9
123.11722	21.5
124.05190	2.5
125.05978	4.2
126.01065	6.4
128.02640	14.7
128.06245	2.7
129.07008	4.4
131.08565	20.5
132.02066	3.1
133.06564	2.8
133.10132	7.9
135.08061	5.3
135.11731	3.2
137.05988	3.1
137.09613	54.9
141.07002	3.7
143.08585	7.0
145.10147	7.6
147.04433	13.3
147.08043	8.8
147.11684	39.3
149.02426	3.6
149.09612	60.6
149.13278	17.3
151.07533	3.1
155.03743	3.2
156.09357	8.3
159.11624	12.2
161.09621	8.3
161.13246	29.1
163.11224	3.7
165.09058	2.9
165.12738	9.9
167.10678	69.8
171.11711	10.4
174.10587	3.2
175.03914	21.3
177.12741	32.0
179.08481	2.7
183.06529	3.2
189.12733	41.6
192.04166	5.9
207.06531	28.3
207.10027	3.2
207.13795	33.6
225.05644	6.6
225.07431	4.4
225.09181	3.7
225.12854	3.7
225.14838	11.6
225.16754	8.2
226.07458	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	225.1485
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03939	8.8
55.01866	25.4
55.05510	44.1
57.03434	21.5
57.07084	29.8
61.02917	10.4
65.03940	6.1
67.05508	88.8
67.74078	5.4
69.01688	4.9
69.03433	39.5
69.07066	44.4
69.40691	5.4
70.68137	5.0
71.01368	8.5
71.04987	19.6
71.08638	11.4
71.43182	6.3
72.89941	5.1
73.02924	6.5
79.05495	71.0
81.03417	24.6
81.07054	94.8
81.07497	8.0
83.04994	38.5
83.08642	8.1
85.02902	32.4
85.06534	13.6
91.05471	82.7
93.07031	80.4
95.04964	60.0
95.08611	70.7
97.02910	15.2
97.06521	27.5
97.10168	10.3
99.04449	7.1
103.03931	5.4
105.07040	58.4
107.04980	16.3
107.08595	30.1
109.06516	31.1
109.10151	34.0
111.04471	20.6
111.08079	5.6
117.07004	11.8
119.04932	31.8
119.08572	46.9
121.06532	14.4
121.10135	44.3
123.04426	12.2
123.08055	18.9
123.11729	9.7
125.09679	7.1
126.99448	5.2
128.06218	5.9
129.06984	11.4
133.06541	6.5
133.10130	28.1
135.08017	8.2
135.11684	29.8
137.06007	10.1
137.09587	9.5
137.13234	8.7
143.08572	5.4
145.10150	7.8
147.04459	18.0
147.08055	12.9
147.11641	28.4
149.17377	5.5
151.07504	8.6
151.11166	29.5
153.12781	9.9
161.13271	21.2
163.11215	42.0
165.09119	7.5
165.12714	56.2
167.14307	6.5
171.11740	10.0
175.03925	40.1
175.11072	6.7
177.12790	6.0
179.14360	13.2
181.30054	5.8
189.12785	24.0
192.04149	14.6
200.48956	7.0
207.06468	30.6
207.13799	56.0
225.14816	100.0
236.37463	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	MKN-003A
Peak:m/z	Relative Intensity
51.64948	4.3
53.03940	6.4
55.01864	17.9
55.05503	37.0
57.03432	14.8
57.07074	27.7
61.02923	11.6
67.05499	56.5
69.03429	30.9
69.07066	32.1
69.26278	10.0
69.26678	15.7
71.01375	5.3
71.04996	18.3
71.08631	12.3
73.02908	5.2
74.46341	5.1
79.05491	65.1
81.03423	26.9
81.07053	82.9
83.04969	29.4
83.08626	9.1
85.02904	35.1
85.06533	13.9
89.95951	5.0
91.05489	68.5
93.07047	74.6
95.04971	51.2
95.08602	66.2
97.02888	13.2
97.06539	24.7
99.04432	9.4
99.08115	9.9
103.03933	11.4
103.05507	4.8
105.07023	43.2
107.04967	16.3
107.08590	36.7
109.06514	31.0
109.10149	21.6
110.95748	5.3
111.04460	16.0
117.07013	10.9
119.04958	21.0
119.05897	5.6
119.08586	42.8
121.06522	16.2
121.10134	51.3
123.04441	13.8
123.08051	14.5
123.11706	17.7
125.09624	11.0
129.06976	8.5
131.08540	10.5
133.06512	11.7
133.10182	23.4
135.08160	9.8
135.11699	27.9
137.05980	8.6
137.09572	13.6
137.13216	10.9
137.63033	5.1
141.05449	5.5
143.08469	7.7
145.10123	11.6
147.04445	10.2
147.08034	11.4
147.11693	26.4
149.13235	6.0
151.07574	9.9
151.11143	24.9
153.12752	10.4
155.07056	6.0
161.09607	8.3
161.13278	22.9
163.11177	39.3
165.09007	6.4
165.12741	57.5
171.11688	8.3
175.03900	31.1
179.14345	12.8
189.12720	16.9
207.06572	39.9
207.13756	67.4
225.14821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.3
57.07068	7.2
57.97306	4.9
68.99760	8.6
69.07051	10.4
70.31978	7.7
71.04984	5.6
81.03391	7.0
81.07038	19.0
82.05317	8.5
83.06100	22.0
86.09686	12.6
96.00607	44.0
100.11240	12.3
105.73679	5.3
111.00818	6.0
111.05568	100.0
128.00740	19.9
137.02356	7.0
139.00243	6.7
153.01813	8.4
163.08594	7.0
167.07007	7.9
181.01314	14.3
182.05754	30.1
196.30508	5.1
199.02367	37.4
204.48970	5.4
209.09337	6.0
209.12933	37.5
210.05202	29.5
210.07433	4.8
227.01898	13.5
227.07970	93.3
227.10184	12.0
227.13957	34.2
228.08311	6.0
242.53999	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	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03950	1.6
55.01859	1.4
55.05506	1.0
56.05030	1.6
56.96556	1.6
67.57891	0.6
68.05023	0.8
69.07079	1.0
69.90376	2.2
70.06588	37.4
71.04998	1.1
72.08156	2.8
73.02917	1.4
78.04734	4.0
79.05492	2.8
80.05007	0.9
81.07049	1.9
83.05022	0.8
83.08634	1.1
84.04499	44.0
85.06577	0.8
89.03942	1.2
91.05476	7.1
93.07020	3.9
95.04969	3.9
95.08610	1.0
95.89658	0.8
96.08084	1.1
98.97598	1.1
100.11261	3.1
103.05459	6.4
105.04494	1.4
106.04189	2.1
107.04967	3.6
109.06497	1.8
109.10183	0.9
112.05090	2.3
114.09167	1.5
116.07084	45.6
117.03373	1.1
119.01939	3.3
119.04951	1.4
121.01704	1.3
121.06509	11.5
122.03674	1.8
123.04429	7.7
124.04018	0.9
124.05209	3.7
131.04930	5.7
133.02844	2.0
134.03629	2.2
135.04416	2.0
137.05972	9.5
138.09166	1.8
139.02701	1.0
140.04683	3.6
142.03236	3.6
147.04446	2.0
148.05219	3.1
149.05972	14.5
151.03931	1.8
152.03442	0.9
152.04683	2.8
155.07008	1.0
156.03375	1.4
159.04442	2.9
163.03906	1.1
165.05533	2.2
167.07031	100.0
168.07439	2.1
174.04349	2.4
176.04811	1.3
176.07767	0.8
177.05463	26.0
179.00682	4.1
181.09799	5.0
185.02957	2.5
186.04404	3.3
190.36020	0.8
194.05783	1.2
195.06580	0.8
203.04048	2.1
204.05463	3.3
209.08087	4.3
209.09528	1.7
221.01782	3.4
227.06966	1.0
227.10345	11.7
227.13867	1.8
227.19702	1.1
228.05414	1.0
229.00029	0.9
245.04955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03960	0.4
55.01870	5.9
55.02097	0.5
55.05530	1.4
57.04564	0.4
58.73181	0.3
59.38739	0.4
65.03939	8.3
65.04256	0.5
67.05489	3.6
69.03432	1.0
69.07087	1.5
70.06617	0.4
71.42834	0.4
72.08179	1.5
73.02912	37.6
77.03932	0.6
79.05088	0.3
79.05488	1.7
81.03422	0.5
81.07081	0.9
82.04190	3.5
83.08594	0.5
85.02897	4.6
86.09725	1.5
91.03938	0.4
91.05482	2.1
93.03396	2.2
93.07045	1.7
95.04961	7.2
95.05530	0.6
97.02883	0.5
97.06529	2.4
98.52881	0.3
100.11250	6.0
100.38348	0.3
103.05452	0.7
105.04520	0.4
105.07099	0.4
107.04960	1.5
108.02085	1.5
108.05311	0.5
110.03646	4.0
111.04422	1.9
114.10284	1.1
121.06512	1.8
121.10134	0.4
123.00776	0.6
123.04420	9.5
125.02355	3.1
125.05968	2.3
126.01056	2.7
126.09129	0.6
128.00719	0.4
128.02663	0.4
138.03125	2.2
139.03899	0.5
140.04669	52.5
141.05040	0.6
142.02579	1.2
149.05963	0.9
149.09589	0.4
151.03932	0.4
153.05461	6.4
155.07014	58.1
156.07358	0.7
166.06268	0.7
167.07056	2.4
167.15428	0.7
168.13791	1.5
171.06541	8.6
173.08087	4.5
177.05447	0.4
179.07019	2.4
181.04938	100.0
182.05257	1.8
209.08063	19.4
209.16412	0.9
210.15930	1.4
227.09038	12.2
227.13947	0.6
227.17432	1.0
227.18579	1.8
228.09346	0.6
228.22888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1066
Annotation	4,4'-Dihydroxy-alpha-methylstilbene
Peak:m/z	Relative Intensity
50.01606	0.7
51.02395	1.0
53.03947	3.2
55.01870	1.1
55.05509	0.4
57.03459	0.3
57.07067	1.3
65.03950	1.1
67.05502	0.4
68.99798	0.7
71.08642	0.3
72.04473	0.3
77.03916	4.5
78.04693	0.5
79.05498	1.6
81.03414	0.3
81.07053	0.8
85.10208	0.3
91.05478	14.0
92.06243	0.4
93.07060	0.5
93.26004	0.3
95.04966	25.9
95.08614	0.5
98.22704	0.7
100.11272	1.1
102.27629	0.3
103.05459	1.4
103.38622	0.3
105.03411	0.8
105.04515	10.6
105.07026	14.8
106.07840	0.6
107.04956	3.0
109.10178	0.6
111.04420	0.8
115.05453	18.9
116.06284	1.6
117.07014	1.0
118.06549	0.7
119.04939	55.1
120.05279	1.2
121.06504	0.7
128.06221	11.9
129.06999	58.3
130.07349	0.9
131.04893	0.8
133.06488	15.3
134.07269	55.7
135.07567	0.7
141.06985	24.5
142.07756	0.7
143.08566	1.3
145.06503	1.3
149.05945	0.4
152.06184	0.9
153.07004	2.5
155.06001	2.2
157.06482	10.1
158.07120	0.4
159.08080	0.5
161.30827	0.3
165.06975	1.8
166.07761	2.0
168.05704	0.9
169.06470	1.9
170.07275	3.6
171.08052	2.8
179.08521	0.3
181.06454	3.3
181.07758	0.3
181.10059	1.6
183.08096	0.6
184.05211	0.9
184.08807	0.7
185.05972	100.0
186.06593	4.2
187.07535	1.2
191.08568	1.1
194.07274	3.4
196.54446	0.3
197.05974	1.3
198.06754	2.5
199.07524	14.4
199.11201	1.4
209.07401	0.5
209.09604	4.4
209.16415	0.4
210.06805	0.6
211.07555	0.6
212.08395	1.3
225.09125	0.8
227.10661	23.2
227.20016	3.4
228.10942	0.4
228.23225	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.79945	1.0
53.03949	1.1
53.07200	1.1
55.01867	4.0
55.05505	7.8
57.03411	2.1
57.07069	5.5
65.03918	1.6
67.05495	31.3
69.03423	2.8
69.07067	8.4
69.93952	1.0
71.04983	24.7
71.42719	1.2
72.08150	1.5
79.05488	27.6
81.03403	1.6
81.07054	10.3
82.06532	1.3
83.04967	8.4
83.08601	2.4
85.06536	100.0
86.09690	5.9
91.05465	16.3
93.06450	1.6
93.07037	28.3
95.04958	22.8
95.08614	5.6
97.02878	1.3
97.06520	30.1
98.98486	1.5
99.04448	2.5
99.08076	9.8
100.11253	9.6
103.05441	1.3
105.07022	21.8
107.04926	10.9
107.08585	35.0
109.06500	10.2
109.10143	3.3
111.04433	14.1
111.08064	2.8
114.10307	1.7
115.05457	2.4
115.07595	1.7
117.07024	8.0
119.08566	19.5
121.06498	15.1
121.10137	25.5
123.04434	2.2
123.08091	3.6
123.11752	1.2
125.05984	7.3
125.09579	3.0
126.01048	2.4
127.07539	2.1
128.00760	1.6
129.06990	7.8
130.07756	1.3
131.08554	61.4
133.10118	8.2
135.08034	3.8
135.10773	1.2
135.11662	7.2
137.05980	2.2
137.09569	7.1
137.45934	1.0
139.07425	1.8
139.11186	2.8
141.02115	6.9
143.08510	1.7
145.06464	1.5
145.10114	24.2
147.08032	4.8
147.11693	2.6
149.05940	2.0
149.09601	62.6
149.13168	1.4
151.11211	2.0
153.05412	4.5
153.09119	3.7
155.07053	2.9
155.08521	1.1
163.07539	3.4
163.11165	22.9
165.09090	11.1
167.07016	4.1
167.10669	29.7
169.01607	3.1
169.12181	1.5
171.10138	3.2
173.09590	6.7
173.13231	3.6
179.10655	2.7
191.10643	49.5
191.14287	2.4
197.11713	1.4
209.05988	1.3
209.11708	51.0
209.15073	2.5
227.06895	10.8
227.12715	19.3
227.16469	4.8
228.23149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.30343	1.5
53.93706	1.7
55.01869	2.1
55.05507	4.3
57.03428	2.4
57.07071	5.5
67.05496	25.7
69.03436	1.7
69.07065	4.9
71.04980	15.6
79.05486	25.6
81.07047	5.1
83.04965	7.0
84.29090	2.0
85.06536	100.0
86.09702	6.9
91.05478	19.1
93.07034	20.2
95.04974	7.5
95.08548	2.2
97.06554	5.0
98.23488	4.2
99.08120	4.2
99.49901	1.7
100.11283	2.8
105.07032	14.8
106.96358	1.5
107.04958	9.4
107.08578	27.1
109.06517	3.2
111.04427	10.9
117.07010	4.2
119.08561	15.9
121.06482	12.2
121.10121	17.3
122.02315	2.2
123.04349	1.9
123.08066	2.4
125.05970	7.4
129.07008	5.8
131.08556	60.2
133.10126	2.2
135.08083	3.8
135.11691	3.6
137.09595	5.2
139.07527	1.9
145.10126	31.4
147.08072	7.0
149.05971	2.4
149.09607	63.4
153.05482	4.3
155.07062	3.3
163.07610	3.1
163.11171	26.1
165.09108	12.3
167.10683	32.2
173.09653	7.5
179.10765	1.8
191.10645	60.3
209.11716	47.7
227.12746	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	227.1276
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03936	4.0
55.01855	10.1
55.05510	21.7
57.03412	7.3
58.28331	2.5
67.05505	21.7
69.07041	13.4
69.18145	17.7
71.04979	4.2
73.02913	4.8
79.05488	32.5
81.03410	5.9
81.07053	28.2
83.04940	4.9
83.08604	13.9
91.05444	11.7
93.07036	55.6
95.04938	9.4
95.08595	53.5
97.02875	5.4
97.06528	4.5
97.10201	3.8
99.04466	3.5
100.11256	14.7
105.07005	10.8
107.04919	13.0
107.08582	30.0
117.04792	5.2
117.06974	13.5
119.08543	19.5
121.06474	9.4
121.10135	15.8
121.36993	2.8
125.05962	5.7
127.64222	3.4
135.11678	69.2
136.11945	2.8
137.05952	3.3
137.59052	2.7
145.10106	39.7
157.10124	5.2
163.11163	96.6
167.06992	3.9
171.11617	4.9
181.12212	17.5
185.13130	3.8
195.96556	2.9
227.09071	6.9
227.12714	100.0
227.17676	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
54.11829	1.1
55.05510	19.4
55.72796	1.3
57.03434	2.7
59.04977	3.3
59.84478	1.0
62.91949	1.1
66.92100	1.1
67.05502	6.8
68.99786	15.2
69.03427	4.8
69.07058	4.6
69.87212	2.7
71.04990	2.2
77.92129	1.2
79.05486	7.7
81.07050	15.9
83.04983	1.9
83.08616	36.4
85.02919	1.6
85.10187	4.5
91.05476	26.2
93.07037	12.8
95.04965	30.7
98.23415	1.7
99.08091	1.5
100.11198	6.7
101.02382	7.4
105.07041	4.0
107.04983	2.5
107.08585	53.1
109.06512	31.3
109.10124	8.8
111.04442	1.6
111.08075	100.0
119.03414	6.2
121.10120	2.6
125.09625	15.1
127.07498	2.7
131.08575	3.2
135.08015	13.3
137.05986	8.0
141.09085	1.7
145.10136	1.8
149.07059	1.5
149.09586	8.2
151.07561	7.4
153.09090	57.8
155.06998	9.0
165.32378	1.5
167.07039	3.1
167.10680	5.0
169.08586	69.3
173.17632	1.2
177.09090	4.2
185.11734	19.0
195.10172	48.1
195.11987	2.3
209.11697	2.1
212.12064	1.8
227.06902	2.2
227.10553	3.1
227.12607	2.0
227.17848	4.3
228.23183	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01864	1.0
55.05505	6.2
56.02652	1.8
56.82121	0.6
65.03941	0.7
67.05502	23.4
69.07064	2.9
71.04990	100.0
72.05336	0.6
79.05494	10.1
81.07054	30.5
83.04974	1.5
83.08620	2.6
85.06557	2.9
91.05481	7.0
93.07040	15.8
95.04977	2.1
95.08605	13.9
97.06525	3.4
97.10152	3.4
100.11251	1.7
100.67577	0.6
105.04498	0.7
105.07034	2.5
107.08578	6.5
109.06524	1.5
109.10162	2.0
111.08088	1.9
117.07001	3.4
119.08581	0.8
121.06488	1.1
121.10162	2.0
125.09644	3.6
126.83231	0.7
131.08565	4.3
133.10141	5.4
135.08107	0.8
135.11690	9.8
142.07803	0.7
145.10193	0.8
149.13249	5.6
157.10139	2.1
159.11685	6.4
171.11656	1.3
177.12773	2.1
182.56863	0.6
185.13287	1.1
189.11305	1.0
195.13783	1.4
199.14877	0.8
209.15376	2.1
223.87431	0.9
227.10689	1.3
227.12532	4.8
227.14655	1.2
227.17966	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03941	1.3
55.01868	0.6
55.05512	3.4
56.02645	1.9
57.00761	0.3
57.03424	0.7
57.07061	0.5
59.09073	0.4
60.56423	0.3
65.03922	0.5
67.05498	20.7
69.07052	2.7
71.04986	100.0
71.42287	0.3
71.42696	0.4
73.66679	0.3
73.85925	0.5
79.05488	9.0
80.61881	0.3
81.07050	28.0
83.04964	1.1
83.08618	2.4
85.02898	0.5
85.06532	2.8
91.05470	5.0
93.07039	13.8
94.07404	0.4
95.04961	1.8
95.08598	13.6
97.06519	3.8
97.10139	0.6
99.08087	1.3
100.11275	1.3
105.07010	2.8
107.08578	5.4
109.06499	1.0
109.10132	2.3
111.08061	1.9
113.05959	0.7
117.07011	4.0
119.08576	1.1
121.06529	0.5
121.10143	1.1
123.08051	0.7
125.09631	0.9
127.01557	0.6
131.08549	4.1
133.10133	4.5
135.08029	1.0
135.11674	8.9
135.12640	0.6
143.08505	0.6
149.13232	5.4
150.13623	0.4
157.10170	0.6
159.11673	7.6
171.11752	0.6
177.12704	2.7
195.13870	1.7
209.15419	1.7
227.10699	0.5
227.12694	0.5
227.15613	0.4
227.17947	1.4
228.23247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03939	2.0
55.01866	4.5
55.05510	16.0
57.03410	2.7
57.04556	3.1
57.07064	5.7
58.64919	1.3
59.38654	1.2
65.03935	1.9
66.76035	1.3
67.05499	23.5
69.03426	11.4
69.07069	16.6
71.04986	10.3
71.43150	1.7
73.02917	2.9
79.05489	23.6
81.03440	1.6
81.07057	35.2
83.04980	10.4
83.08626	7.0
85.02915	3.6
85.06539	40.2
91.05471	29.8
93.07039	49.8
94.07266	1.4
95.04974	9.5
95.08030	1.8
95.08607	24.1
97.06532	16.3
99.04437	4.1
99.08082	6.5
100.11235	12.6
103.05455	5.1
105.07025	35.2
106.04147	1.6
107.04932	8.5
107.06069	2.5
107.08589	100.0
108.04505	3.5
108.05248	3.0
108.08937	1.9
109.06513	19.1
109.10151	23.8
111.04439	5.2
111.08067	5.6
113.05946	1.6
115.05431	2.7
117.07018	5.2
119.04936	1.6
119.06019	2.1
119.08582	26.6
121.06499	17.8
121.10143	46.9
123.04425	5.0
123.08064	18.2
123.11681	5.4
125.06007	3.3
125.09636	3.2
126.01069	43.0
128.02614	8.1
128.06184	1.7
129.06982	6.8
129.40942	1.5
131.04904	4.3
131.08568	39.4
133.10121	38.6
134.03624	1.6
134.10516	2.0
135.04427	2.0
135.08055	14.9
135.11636	7.9
137.05959	4.4
137.09616	12.2
139.07530	2.6
139.11177	7.0
140.04671	2.6
143.03700	6.5
143.08548	3.9
144.02118	10.9
145.10118	18.3
147.08029	2.1
147.11699	12.1
149.05981	7.2
149.09615	37.2
149.13254	38.9
151.11179	20.2
153.05418	2.4
153.06947	1.6
153.09058	2.8
155.07018	3.1
158.10913	2.7
161.13271	5.4
163.11156	10.5
163.14804	14.9
165.01961	2.3
165.09111	2.3
165.12851	1.4
167.07036	42.7
167.10681	15.3
171.06796	7.5
173.09607	2.2
173.13257	26.2
177.05470	12.1
179.14313	1.8
181.05064	3.2
181.06474	2.8
184.97354	1.4
185.62918	1.5
191.10680	17.4
191.14287	30.4
209.04767	4.1
209.08009	3.9
209.11670	12.4
209.15092	7.1
227.05579	18.5
227.10558	16.6
227.12762	6.9
227.17548	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01876	2.5
55.05510	11.0
57.03434	3.5
57.07063	4.9
59.04984	6.7
65.03925	1.6
67.05506	9.8
69.03429	4.9
69.07066	13.7
69.15480	1.7
69.69426	6.3
71.04990	23.2
72.08145	4.2
73.02909	4.1
73.06553	1.9
79.05479	12.1
81.07052	21.1
82.07436	1.5
83.04963	5.2
83.08616	6.8
85.06562	11.0
86.09695	22.7
91.05482	8.8
93.07044	24.9
95.04964	100.0
95.08594	15.4
97.01134	2.3
97.04011	5.7
97.06524	29.6
97.10165	5.0
98.22704	1.9
98.98482	3.1
99.04459	10.9
99.08081	30.1
100.11253	17.8
100.60175	1.7
105.07034	13.0
107.04955	1.7
107.08579	23.3
109.06523	20.6
109.10155	12.3
111.08083	6.4
113.05947	2.1
113.09644	1.7
114.10254	2.0
115.07543	13.8
119.08567	8.7
121.06508	2.5
121.10137	22.1
121.40770	1.5
123.02629	2.0
123.04424	2.5
123.08033	3.5
123.11732	8.3
125.09635	10.5
126.01057	6.1
126.09203	2.0
127.07542	19.9
131.08575	8.7
133.10120	36.6
135.08070	6.7
135.09056	1.7
135.11714	7.4
139.11183	15.7
143.10614	4.5
144.02112	3.2
145.10117	3.4
147.11615	9.0
149.09653	4.8
149.13266	12.4
151.11163	6.0
153.09096	31.5
155.07027	5.3
163.14839	7.0
165.12814	2.9
167.07010	4.6
167.10670	2.0
167.14214	2.8
167.15538	2.4
168.13808	4.2
171.10182	15.9
171.11601	3.3
173.13269	14.5
181.04982	9.9
184.07973	1.8
188.46231	1.7
191.10654	2.4
191.14294	13.8
199.08740	4.9
209.07788	2.3
209.15179	13.7
210.16066	2.0
226.54523	1.5
227.06056	4.2
227.08452	47.6
227.16324	45.4
227.18234	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03926	2.6
55.05507	9.6
57.03410	6.1
57.07086	7.3
59.04973	6.4
65.03906	2.1
67.05499	20.4
69.03407	5.3
69.07063	16.5
69.64532	6.0
71.04987	36.0
72.08134	2.1
73.06532	2.4
77.89857	1.2
79.05486	23.1
81.03385	3.1
81.06628	1.8
81.07051	22.4
83.04979	9.9
83.08592	6.2
85.06537	64.9
86.09694	6.8
87.04419	1.7
91.05478	14.6
93.07036	39.7
95.04959	100.0
95.08604	15.2
97.05982	2.0
97.06525	26.5
97.10133	4.9
98.22675	1.6
99.04430	10.7
99.08094	27.0
100.11262	12.5
105.04468	1.6
105.07027	21.9
107.04954	7.7
107.08588	45.5
109.06514	22.4
109.10143	11.2
111.04384	6.1
111.08068	9.8
113.05959	3.8
113.09595	3.0
114.09170	1.5
115.07565	8.8
117.06968	4.8
119.08578	17.7
121.06495	8.9
121.10139	35.0
123.04440	2.0
123.08006	5.3
123.11694	7.7
125.05918	6.3
125.09620	11.4
126.01026	3.8
126.09148	1.4
127.07545	12.5
129.06938	4.5
131.08563	43.5
133.09204	1.9
133.10121	36.6
135.08043	6.6
135.11694	9.1
137.09615	6.9
139.11165	12.4
143.08551	3.2
143.10628	4.9
145.06342	1.5
145.09116	1.7
145.10103	18.3
146.45990	1.4
147.08000	3.7
147.11676	10.0
149.05928	2.9
149.09605	44.0
149.10791	2.7
149.13225	11.6
149.67845	1.5
151.11157	4.8
153.05490	2.0
153.09106	26.5
158.10867	1.3
163.11165	15.0
163.14771	5.8
165.09048	7.6
165.12675	2.5
167.07028	3.7
167.10645	18.8
168.13725	2.3
169.01582	3.5
171.10175	18.0
172.01599	2.4
173.09547	4.9
173.13242	15.2
181.10005	1.5
191.09053	2.3
191.10657	30.4
191.14270	10.2
197.11555	1.4
203.33325	1.7
209.11723	25.0
209.15273	17.7
227.12733	8.6
227.16315	45.6
227.18446	2.2
228.23102	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.31858	1.7
55.05507	7.4
57.03444	5.7
57.07085	4.4
59.05003	6.4
67.05497	10.4
69.03428	3.0
69.07068	14.0
70.78303	3.8
71.04994	27.3
72.08163	2.6
73.02898	2.8
73.06568	1.8
77.03935	1.5
79.05476	11.4
81.07060	20.7
83.04977	4.3
83.08620	4.9
85.02870	1.5
85.06547	10.9
86.09714	15.8
91.05481	8.0
93.07043	26.7
95.04968	100.0
95.08607	15.4
97.04025	6.0
97.06532	24.5
97.10184	2.7
99.04462	12.6
99.08092	33.1
100.11250	15.2
105.07036	11.7
105.07629	1.8
107.04984	1.8
107.08591	29.8
109.06520	20.9
109.10128	9.3
111.08082	4.7
113.09649	4.6
115.07597	9.0
115.08722	1.7
117.07067	2.8
118.20014	1.6
119.08589	10.3
121.06512	1.8
121.10146	20.9
123.08073	3.4
123.11670	7.8
125.05968	2.0
125.09637	6.1
126.01026	3.3
127.07552	18.0
131.08560	9.9
133.10123	40.2
135.08124	7.9
135.11719	6.7
137.09590	4.8
139.11183	13.7
140.04646	4.4
142.47864	1.6
143.10722	3.7
144.02083	2.7
145.10114	3.9
147.11705	8.5
149.09634	4.3
149.13245	10.8
151.11191	7.6
153.05505	1.8
153.09106	29.4
155.07016	2.5
163.11179	2.1
163.14824	4.4
165.09077	2.0
165.12758	2.6
166.06795	1.7
167.05316	2.1
167.07051	4.0
168.13835	3.8
171.06772	2.3
171.10156	13.9
173.13243	14.5
181.04944	9.0
191.10738	2.7
191.14313	12.5
199.08810	5.0
209.15155	11.2
227.06075	4.6
227.08466	47.1
227.10373	2.6
227.16338	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05511	8.9
57.07092	1.1
58.54065	1.2
67.05498	8.0
69.07055	4.2
69.11104	1.6
69.11509	7.7
79.05502	6.8
81.07053	21.8
83.08600	4.2
84.23715	1.3
91.05475	8.6
93.07040	17.3
95.04974	2.1
95.08605	15.5
97.10165	2.5
99.35740	1.2
100.11266	6.0
105.07035	22.1
107.08602	10.3
109.10156	13.1
115.45667	1.3
117.07017	3.7
119.08583	14.7
121.10133	5.4
125.06985	1.5
128.06239	3.7
129.06995	7.5
131.05681	1.3
131.08575	11.5
133.10118	15.0
135.11681	5.2
141.07059	2.2
142.07770	6.4
143.08562	18.8
145.10132	15.8
147.11716	8.3
156.09349	5.6
157.10121	23.3
159.11638	7.5
169.10124	1.9
170.10887	3.2
171.11690	36.5
172.12389	2.4
183.11717	3.1
185.09669	1.7
185.13255	21.2
198.13983	1.6
199.14827	10.4
212.15694	2.0
227.14288	3.8
227.17935	100.0
228.18277	2.2
228.23259	3.6
246.34839	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	229.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79371	0.3
52.86627	0.3
55.01863	0.7
56.96560	9.3
58.06593	6.9
59.07372	1.2
60.08156	7.7
61.77635	0.3
68.05017	1.7
70.06583	41.1
71.15941	0.4
71.95250	0.7
72.08160	1.2
84.02998	0.4
84.04483	0.8
84.05613	0.8
84.08118	1.4
86.09695	1.0
96.08134	1.4
98.06050	0.9
98.97572	37.0
100.02491	0.6
101.00878	0.6
102.04046	0.7
114.05521	4.2
114.09154	2.4
116.07080	1.1
116.98607	20.6
118.03503	1.2
119.01900	1.3
124.07589	3.8
126.02271	0.5
126.09157	0.7
134.01187	0.3
134.99644	7.5
136.04572	0.6
140.00281	0.4
140.01389	0.3
141.05104	0.8
142.03497	0.6
142.08621	34.8
143.06615	0.8
143.08940	0.6
152.99632	0.7
153.00706	0.6
154.00397	0.6
158.04889	1.0
159.00778	0.8
159.06104	0.6
160.04506	0.4
160.06435	1.4
161.07698	1.1
166.03412	0.4
170.08134	1.5
171.00745	1.6
172.01524	1.2
176.05760	0.3
182.02361	3.9
183.03154	1.7
183.11282	0.4
184.04550	3.2
187.05632	1.9
188.06027	0.9
189.01868	0.4
189.04347	1.4
192.03848	0.3
200.03407	5.0
201.04199	1.9
202.05542	1.4
205.02489	0.4
205.06656	1.1
206.06950	2.2
207.05336	0.7
211.05553	0.6
212.07770	0.4
215.02081	0.8
218.04515	0.5
224.08067	2.4
228.15599	0.4
229.06729	2.6
229.15440	100.0
230.06955	1.2
230.15802	1.7
238.60477	0.3
247.03447	2.5
248.08171	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	229.067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.8
58.06598	4.8
59.07366	1.6
60.08164	5.0
61.01494	0.9
61.70917	1.2
62.98242	1.4
66.01937	1.1
67.56150	0.9
68.05005	1.4
68.97273	0.9
69.73324	1.1
69.73661	3.9
70.06593	28.8
71.48998	0.8
82.01420	2.2
83.06114	2.1
84.03003	12.5
84.04500	16.3
84.08124	1.7
96.08128	1.0
100.02479	14.8
101.00851	7.8
101.05669	1.4
102.04049	19.6
104.01925	1.4
114.04059	2.4
114.05520	2.7
114.09185	1.7
116.05598	2.5
116.07091	1.0
118.03515	35.3
119.01911	15.4
120.05089	6.1
123.04090	1.6
124.02416	4.8
124.07594	2.9
126.04048	2.3
129.06607	1.2
130.03506	1.7
132.05013	6.1
134.06624	1.3
136.04526	14.8
137.02946	3.0
141.05080	23.0
142.03490	16.0
142.08641	24.9
143.06647	22.1
144.05072	3.8
147.00281	19.4
150.06091	4.0
151.03708	1.1
157.03448	2.7
159.06140	21.2
160.04552	10.6
161.07712	33.5
165.05080	1.7
166.03458	14.6
169.04631	2.1
170.08093	1.6
175.04562	1.0
176.04077	2.0
183.06143	4.5
184.04547	100.0
185.02985	1.6
185.04707	2.9
185.07755	2.4
186.06125	1.6
187.00938	1.6
187.05635	53.6
188.05673	1.3
202.05605	44.3
203.05777	1.5
203.08733	1.6
205.06697	39.0
211.05626	14.5
211.07552	1.5
212.03998	2.4
229.06682	87.9
229.15459	80.1
230.05042	15.1
230.06741	1.0
231.05396	1.1
248.06133	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	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.9
57.03419	3.2
59.04978	1.2
67.05164	1.6
67.05504	24.4
69.07063	9.5
71.04975	3.7
71.22655	1.6
73.39108	1.2
75.04445	1.3
78.74102	1.3
81.07048	5.3
83.04973	1.4
83.08601	1.7
85.06533	1.9
90.00331	1.3
91.05460	1.6
93.07049	2.2
95.04950	5.7
95.08592	6.6
98.98470	7.3
104.61957	1.1
105.07052	2.8
107.08601	1.4
109.10151	100.0
110.10485	1.8
110.98454	2.0
119.08579	4.9
121.06494	2.4
123.11710	8.6
127.01569	3.5
127.11185	35.9
131.08513	1.4
133.10121	3.9
137.09601	6.9
138.98001	1.6
143.08463	1.4
151.11176	2.8
155.10672	5.3
161.09583	5.3
173.11731	8.3
179.10652	9.0
197.10210	1.1
197.11700	7.1
211.16785	1.6
229.04953	1.4
229.14302	3.4
229.19370	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	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.17583	0.4
51.83197	0.3
52.02143	0.3
53.03934	0.4
55.01890	0.6
55.05506	11.0
57.03434	18.1
57.07074	2.0
59.04995	5.2
63.59951	0.4
65.03928	1.8
67.05501	100.0
68.04037	0.4
68.05833	1.8
69.03424	0.7
69.07072	3.2
69.67523	0.3
71.04984	3.6
78.00812	0.4
79.05490	2.5
81.07053	14.6
82.07373	1.1
82.50815	0.3
83.08613	7.4
84.08932	1.0
85.06532	3.0
86.06058	0.4
90.07979	0.4
91.05473	5.1
93.07052	3.1
95.04980	0.9
95.08029	0.5
95.08609	7.5
96.08941	2.4
99.08063	0.4
103.03941	0.6
105.03386	0.5
105.07041	1.1
107.08611	2.5
109.10149	84.0
110.10487	1.6
111.08066	3.1
119.08574	5.5
120.08863	0.5
121.10096	0.4
121.84106	0.4
126.87058	0.5
127.11168	0.7
131.08566	0.7
133.10129	0.4
137.09619	3.4
143.08546	0.7
145.01355	0.7
145.10069	0.4
147.11655	0.7
151.08733	0.5
153.20894	0.4
155.08478	0.4
155.10686	3.9
159.11723	0.5
160.43747	0.5
173.11725	24.2
176.15149	1.4
183.11659	0.7
197.04259	1.4
211.05745	0.7
212.06538	5.6
212.17245	0.6
228.23210	1.5
229.04872	1.6
229.06816	2.4
229.12206	1.7
229.14308	26.0
229.19536	1.5
229.23547	1.5
230.14841	0.4
248.78368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01858	0.4
55.41816	0.2
56.96569	3.7
57.03434	0.3
58.06597	6.7
59.07373	1.4
60.08159	7.4
68.05029	0.9
69.74561	0.7
70.06588	37.8
71.06920	0.4
72.08159	0.6
75.97039	0.2
84.04505	0.5
84.08131	1.5
96.08118	1.4
98.06037	0.9
98.97577	7.5
101.00887	0.5
114.05523	4.4
114.09159	2.2
116.07108	0.9
116.98615	4.6
118.03490	0.6
119.01916	0.9
124.07578	3.9
126.09133	1.4
134.99638	1.6
140.99712	0.3
142.08624	34.6
143.08986	0.5
146.15382	0.2
158.04915	0.4
159.06161	0.3
160.06433	0.6
161.07706	0.4
166.03519	0.3
170.04848	0.3
170.08139	2.0
172.18256	0.3
182.02332	0.4
184.04527	1.5
187.05713	0.7
188.05957	0.5
189.04341	0.5
202.05524	0.5
205.06755	0.4
206.06993	1.0
207.05421	0.3
212.07666	0.3
224.08032	1.1
229.06703	0.9
229.15454	100.0
230.06885	0.5
230.08902	0.5
230.15797	2.2
248.08020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.6
58.06591	7.2
59.07366	1.6
60.07869	0.6
60.08155	8.8
68.05013	1.3
70.06586	36.6
70.76865	0.8
72.08154	1.2
84.04497	0.8
84.08129	0.5
85.54803	0.4
86.09655	0.4
90.25784	0.4
96.08120	1.3
98.06015	0.8
101.00858	0.8
102.04044	0.6
114.05524	4.1
114.09160	1.8
116.07074	1.3
118.03473	0.7
119.01900	5.9
124.07581	3.2
126.09182	0.6
136.04527	0.7
137.02937	1.4
142.03496	0.7
142.08620	34.2
143.08977	0.5
144.99945	0.6
161.07683	0.7
170.08122	1.3
180.97182	0.4
184.04567	1.7
187.00835	1.5
187.05640	1.4
198.85558	1.3
202.05530	1.1
205.01895	0.6
205.06697	1.1
215.00362	0.9
228.86507	4.1
229.06689	1.3
229.15448	100.0
230.15744	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01994	0.7
51.13936	0.7
55.05503	4.1
57.07055	1.4
58.81753	0.7
60.08135	0.9
67.05492	9.2
69.07058	5.8
71.11623	0.8
75.00018	0.8
79.05486	9.2
80.37717	0.7
81.06561	1.1
81.07049	20.8
83.08599	2.2
91.05473	9.3
93.07038	16.3
95.04945	2.4
95.08597	19.0
97.10143	1.4
98.23431	0.8
105.07019	25.7
107.08581	17.3
109.06516	0.8
109.10153	8.7
115.37798	0.7
117.06977	5.5
119.08566	20.2
121.10126	15.0
123.11706	3.9
128.06165	1.3
129.06999	2.1
130.07774	1.5
131.08551	18.8
133.10115	18.1
135.11687	11.8
142.07758	1.2
143.08502	3.8
144.09314	2.8
145.10101	22.4
146.10648	0.7
147.11662	14.8
149.13301	4.4
154.07680	0.9
155.08488	1.0
157.10106	2.6
158.10861	1.5
159.08035	0.8
159.11684	28.8
160.12001	0.8
161.13261	3.4
169.10139	3.5
171.11624	1.8
172.12279	1.0
173.09639	1.5
173.13246	28.5
183.11743	0.9
185.13217	3.7
187.14790	10.4
201.16389	5.7
211.14793	2.0
222.56873	1.0
229.16156	10.2
229.19492	100.0
230.19824	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56188	0.7
54.12005	0.6
55.05505	1.6
60.05640	1.1
67.05492	1.4
69.80428	2.4
70.06596	1.0
71.08267	1.0
71.08632	14.4
72.08156	37.8
73.04040	1.1
76.75809	0.6
81.07033	1.1
86.05975	0.7
97.07668	6.6
98.06035	1.7
99.08093	22.7
113.00046	0.9
114.10290	38.0
115.08679	10.3
116.10701	4.0
128.10718	4.4
131.06339	0.7
131.12956	0.9
169.17001	25.0
170.15401	72.6
171.15736	2.2
187.18071	3.6
212.17577	37.4
213.17935	0.8
226.82953	0.6
229.04878	0.7
229.20233	100.0
230.20581	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	229.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59079	0.4
55.02977	0.7
55.05513	2.9
56.45258	0.5
60.05634	1.5
64.73612	0.5
64.97947	6.2
67.05496	1.5
68.41061	0.5
70.06580	1.6
71.08625	14.1
72.08147	40.2
73.04005	0.9
74.06046	0.5
75.29771	0.5
76.97954	2.5
78.65267	0.5
81.07027	0.6
82.94558	2.4
86.09671	0.8
97.07053	0.7
97.07640	8.2
98.06059	0.9
98.09721	0.5
98.98464	5.2
99.07447	1.2
99.08083	22.5
109.10139	1.2
112.95539	1.0
114.10278	40.9
115.08675	9.8
116.10715	5.1
116.95061	2.4
126.01050	1.1
128.10704	5.8
128.95007	1.1
131.12874	0.6
169.15511	0.9
169.16983	25.3
170.15379	70.3
171.15814	1.2
187.18030	3.9
192.92209	5.9
193.54614	0.5
212.17548	37.0
213.17871	0.7
228.89795	1.2
229.06996	1.0
229.20206	100.0
230.20464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.07
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44175	0.4
54.98657	0.4
56.96561	32.9
58.06587	0.6
60.08160	0.8
63.38634	0.4
70.06580	4.0
70.50248	0.5
71.06915	0.9
71.95261	0.8
72.96043	1.3
83.97654	0.7
84.08157	0.5
86.09704	3.9
98.03529	0.5
98.97575	100.0
99.97890	0.9
116.00212	1.3
116.12949	0.5
116.98611	58.8
117.98956	0.8
119.01889	1.1
125.92262	0.5
126.02271	1.6
128.98552	0.5
134.01212	1.3
134.99640	19.0
140.00182	0.6
140.03818	2.4
142.05396	2.6
142.08615	3.4
143.08942	1.4
144.03348	0.8
153.00706	1.8
156.03798	1.0
158.04857	3.6
160.06432	6.8
161.04895	0.5
170.04855	1.2
171.03325	2.0
176.05933	0.9
178.07475	1.4
183.02669	0.7
185.06433	0.5
188.05907	4.0
189.04338	10.8
201.03778	0.7
201.05859	0.9
202.07474	0.8
206.06995	7.8
207.05426	6.1
212.05858	1.1
224.08043	8.4
229.15466	6.2
230.06998	9.0
230.11647	0.6
230.15788	6.2
231.05566	3.4
248.08052	16.0
249.06609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61824	1.7
55.05521	2.4
56.05036	6.1
56.96547	4.2
58.06588	9.2
66.18270	2.0
68.05031	3.5
69.24412	2.0
70.06590	46.8
71.06907	2.4
72.08156	100.0
84.04495	5.8
84.08143	39.0
85.02921	4.2
85.08463	2.3
86.06066	6.3
96.04497	19.5
98.06055	24.2
98.09678	3.2
98.97575	7.1
100.07648	2.7
103.04151	2.4
110.09676	38.5
112.07598	3.9
112.11258	5.5
114.05537	2.8
116.98598	5.1
119.01944	9.8
119.03621	6.9
120.02020	3.5
124.07597	30.0
126.09147	81.9
127.12317	10.1
134.99670	3.3
136.04594	2.5
137.02972	3.8
137.04662	3.6
138.09123	13.4
140.10680	16.1
141.10223	8.8
142.03479	4.4
142.05200	3.4
142.08638	10.1
143.03700	2.6
143.08961	3.3
143.11795	23.8
144.06787	4.7
145.03423	2.8
160.04561	3.7
160.06219	4.7
161.03056	3.1
162.07874	7.0
163.07448	2.7
169.13387	17.2
183.14984	3.4
183.95110	3.1
184.04567	21.1
184.09665	2.7
185.04706	26.4
188.05765	12.3
188.07295	2.3
189.02435	3.0
189.05415	3.6
195.14923	25.7
199.04465	3.8
202.05630	6.8
203.05772	13.4
204.05208	3.1
206.06926	8.1
207.06538	2.2
212.05853	4.1
212.07573	3.7
212.09291	3.5
212.17564	79.2
224.95361	3.9
229.95833	3.6
230.04935	3.3
230.06825	14.5
230.08696	2.6
230.15726	7.7
230.18620	14.0
248.01585	4.9
248.06219	2.6
249.06407	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98014	0.5
57.07079	0.5
58.06611	1.3
61.01149	19.0
62.06084	0.3
67.13697	0.2
69.98178	0.7
69.98529	0.4
71.01265	0.2
84.97486	13.5
88.95197	16.9
91.05482	0.3
94.23638	0.2
98.98501	0.4
100.46438	0.2
105.07048	0.4
106.01664	0.3
120.97787	2.3
144.97758	44.1
172.97270	8.4
188.96738	100.0
189.96980	1.3
190.98351	0.4
202.21722	0.4
230.24721	2.1
231.01369	2.3
231.06421	0.6
231.25092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68499	6.7
70.17471	17.4
80.72139	7.0
85.77885	6.6
92.99908	8.2
94.39473	7.4
181.01129	21.7
186.04417	7.0
199.02109	100.0
231.04739	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	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79578	0.5
51.02367	0.6
53.03945	9.9
55.01867	4.3
55.05497	1.0
57.03431	5.1
61.02913	2.6
68.99783	3.7
69.00111	0.6
69.03426	100.0
69.11311	3.5
70.06551	0.7
71.01353	1.0
71.04985	8.6
72.86095	0.6
73.02912	1.6
81.03415	92.0
83.01328	7.1
83.04971	0.8
85.02902	59.9
87.00824	30.7
87.04453	0.8
87.17138	0.5
88.07600	1.0
97.02892	28.5
98.23556	1.2
99.04455	22.4
101.16324	0.6
105.01857	3.4
106.08657	0.8
106.55367	0.6
109.02875	15.4
109.04807	0.6
111.00792	2.7
125.02271	0.6
127.03911	44.7
129.01781	0.7
129.06979	0.8
129.84227	0.6
145.04956	4.5
147.04393	1.1
160.05164	1.0
171.02904	3.3
187.05966	0.6
203.08621	0.7
213.03831	2.1
230.20958	0.6
231.04901	18.7
231.06978	1.2
231.10043	1.2
232.22588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56787	0.5
51.93736	0.6
53.03942	9.0
55.01874	5.1
55.05500	0.7
57.03432	3.6
61.02909	1.3
65.25726	0.5
68.02682	0.5
68.99788	3.6
69.03424	100.0
70.22615	1.6
71.01340	0.8
71.04990	6.6
73.02905	1.1
75.05682	0.5
78.07146	0.6
81.03413	60.6
83.01341	3.4
83.04991	0.6
85.02900	55.5
86.03230	0.7
87.00826	25.5
94.96246	0.8
95.04924	0.6
97.02888	54.1
98.03207	0.7
98.98485	0.9
99.04454	15.7
99.05077	1.1
105.01844	4.7
105.07052	0.6
109.02874	17.8
111.00794	1.3
115.03928	0.7
121.93879	0.6
125.01540	1.1
127.03909	29.0
135.27151	0.6
143.08568	0.9
145.04953	3.5
171.02905	0.9
171.05750	2.1
175.14983	0.7
213.04024	1.3
213.12813	0.9
231.04932	8.0
231.07001	0.9
231.09242	7.5
231.13774	0.7
232.22536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79578	0.5
51.02367	0.6
53.03945	9.9
55.01867	4.3
55.05497	1.0
57.03431	5.1
61.02913	2.6
68.99783	3.7
69.00111	0.6
69.03426	100.0
69.11311	3.5
70.06551	0.7
71.01353	1.0
71.04985	8.6
72.86095	0.6
73.02912	1.6
81.03415	92.0
83.01328	7.1
83.04971	0.8
85.02902	59.9
87.00824	30.7
87.04453	0.8
87.17138	0.5
88.07600	1.0
97.02892	28.5
98.23556	1.2
99.04455	22.4
101.16324	0.6
105.01857	3.4
106.08657	0.8
106.55367	0.6
109.02875	15.4
109.04807	0.6
111.00792	2.7
125.02271	0.6
127.03911	44.7
129.01781	0.7
129.06979	0.8
129.84227	0.6
145.04956	4.5
147.04393	1.1
160.05164	1.0
171.02904	3.3
187.05966	0.6
203.08621	0.7
213.03831	2.1
230.20958	0.6
231.04901	18.7
231.06978	1.2
231.10043	1.2
232.22588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03941	11.2
55.01862	4.2
55.05529	0.6
57.03431	3.5
61.02920	2.7
68.99796	3.9
69.03423	100.0
70.03756	1.0
71.01354	0.9
71.04987	7.6
71.43076	0.5
73.02908	1.3
81.03410	57.9
81.07052	0.4
82.03756	0.8
83.01355	2.4
83.04982	0.7
85.02898	55.0
87.00822	23.7
87.04490	0.7
97.02884	40.3
98.03203	0.7
99.03799	0.8
99.04446	17.0
102.17085	0.4
105.01853	4.8
105.07018	0.6
109.02872	26.5
111.00773	1.0
111.04418	0.4
115.03914	0.8
121.02872	0.5
121.19473	0.4
127.03904	29.6
129.01840	0.9
145.04945	3.7
157.10065	0.4
171.02852	0.7
185.13216	0.6
213.03920	1.4
231.02858	0.7
231.04939	5.5
231.10005	0.6
245.78400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0576
Annotation	6-Methoxycamalexin
Peak:m/z	Relative Intensity
55.01843	1.5
56.05000	1.2
56.96560	20.2
58.06590	2.0
60.05632	1.4
60.08144	1.8
66.83852	0.9
69.03396	2.9
70.01151	1.5
70.01463	1.3
70.06593	13.3
71.06931	4.8
72.08117	3.5
73.06546	2.0
81.03384	2.0
82.99831	1.4
83.97663	1.1
84.04473	3.0
84.08131	6.0
85.02878	1.8
85.03995	4.1
85.06509	2.5
86.09693	5.7
89.48392	1.0
97.02910	1.8
97.06502	1.3
98.22788	1.7
98.97583	19.3
99.97901	1.9
100.97136	1.7
101.00859	12.6
101.05991	1.0
102.00926	1.2
104.03764	1.5
112.02442	1.8
114.10216	1.2
115.05828	1.3
116.98625	19.7
117.03954	2.0
117.98942	5.2
118.03531	1.4
118.98177	1.3
119.01914	53.0
119.15495	0.9
120.02084	1.0
120.03246	3.0
121.01630	1.8
124.07602	1.2
126.09126	1.2
127.03701	1.7
128.00159	2.0
128.01872	3.9
129.02684	1.3
129.05038	2.1
129.10109	1.2
130.03514	10.2
133.03387	2.0
134.99664	9.2
135.99927	2.5
137.01981	1.3
137.02942	14.2
138.02696	3.6
141.03261	1.4
142.08638	2.3
143.04822	4.1
143.08981	5.4
144.03220	2.4
145.04543	4.7
145.06320	1.2
146.01208	1.5
148.04471	1.5
149.02884	1.5
153.00653	1.8
153.05023	1.8
155.03011	20.9
156.03793	53.5
157.03699	1.2
159.04814	2.3
161.02850	2.1
161.05807	1.7
162.04253	1.6
163.04440	1.1
163.05661	7.9
163.07397	4.0
166.02863	3.4
166.04553	12.9
167.05394	27.3
168.03169	1.2
168.04385	1.9
169.04546	1.3
170.05939	4.2
171.04523	3.8
171.06099	8.5
172.09602	1.2
173.04073	4.9
174.04860	12.8
177.02461	1.1
179.05359	1.3
183.04877	5.1
184.04147	1.8
184.05667	13.8
185.04950	1.6
185.06458	29.7
186.04260	7.9
186.09686	2.9
187.08536	1.9
187.10695	1.5
188.02707	1.6
188.07004	4.4
189.02277	4.3
189.05521	7.0
190.04608	3.1
199.04340	3.0
201.04182	1.6
201.05927	22.5
202.06358	1.3
203.03995	2.3
203.05696	1.2
203.07565	5.6
204.05284	4.4
204.10789	1.5
206.03697	2.2
207.03233	1.2
207.06505	3.9
208.05739	3.3
213.04613	9.8
213.06508	5.3
214.05095	1.3
214.09151	3.4
217.05377	1.0
219.03511	1.2
219.07005	8.6
225.08221	1.3
226.02597	1.0
230.15800	16.2
231.05644	100.0
231.07289	7.5
231.13686	1.9
231.15962	7.4
232.06049	5.3
232.10204	10.9
249.06534	4.1
249.08434	7.2
254.07257	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	231.0653
Annotation	Bis-noryangonin
Peak:m/z	Relative Intensity
52.13396	0.4
52.34527	0.3
55.01860	0.7
60.43653	0.3
67.01862	42.7
68.99785	7.9
69.43119	1.1
69.43530	0.7
76.75668	0.3
78.19216	0.3
79.05481	0.9
79.80746	0.3
95.04938	0.5
97.10212	0.3
99.00809	3.3
103.05460	0.7
105.03394	8.6
105.04498	4.1
105.07025	19.2
107.06111	0.5
115.05465	2.1
127.00267	16.9
127.01215	0.8
129.03354	8.8
129.06960	0.4
133.03967	0.5
135.05539	0.6
145.01311	40.3
147.04404	9.2
147.05536	0.4
157.06474	0.6
161.03445	7.4
171.04395	6.4
175.05009	0.4
194.43716	0.4
203.04462	1.0
208.95476	0.3
212.38206	0.3
213.05440	3.7
222.87273	0.4
230.24815	0.5
231.06500	100.0
232.06802	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	231.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.05507	54.7
61.95627	0.7
62.09756	0.7
67.05503	1.5
67.53516	0.8
69.07058	1.0
69.66009	3.3
69.66341	1.0
79.05450	1.0
81.07048	2.0
83.04974	100.0
91.05470	1.5
93.07082	1.2
95.04956	1.4
95.08622	1.7
98.23427	0.8
100.92176	0.9
105.07011	3.4
107.08570	1.5
117.05438	0.7
119.08544	1.9
121.06496	9.8
121.10154	1.7
133.10103	1.1
143.08533	1.3
148.67305	0.9
149.09602	10.1
161.13304	1.2
171.11687	1.3
199.01497	1.3
213.16325	1.0
230.24681	1.4
231.13783	2.0
231.17378	5.4
231.21039	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	231.1703
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03941	0.7
55.05508	11.9
56.05027	0.6
57.05807	1.1
58.06598	0.4
68.73193	0.2
69.03429	1.7
69.07072	0.4
70.90709	0.3
72.08151	100.0
73.08489	0.6
81.03417	0.9
85.02885	0.4
86.09701	5.4
87.00829	0.4
97.02882	1.1
97.06535	0.7
98.98447	0.2
99.04414	0.3
100.02220	0.3
105.01852	0.3
109.02879	0.5
116.98607	0.2
117.04837	2.2
126.12871	0.3
127.03927	0.5
132.10199	3.7
147.04420	0.2
147.08014	0.2
169.07907	0.3
171.04427	0.3
185.11008	0.5
185.16478	0.8
201.38145	0.2
213.10558	6.1
213.12563	0.4
231.06555	0.5
231.11601	6.6
231.17003	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05509	10.3
56.05032	0.3
57.05806	0.9
58.06599	0.4
64.92015	0.2
69.03442	1.0
71.11916	0.3
72.08150	100.0
73.08481	0.6
77.72449	0.2
79.55915	0.2
81.03410	0.6
85.02921	0.5
86.09700	5.4
87.00846	0.2
97.02883	0.4
97.06525	0.7
100.02205	0.3
105.03483	0.2
105.66951	0.2
109.02855	0.3
117.04855	1.7
127.03904	0.3
132.10194	3.7
169.07896	0.3
185.16518	0.9
213.10562	5.2
231.11591	6.5
231.16992	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	231.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
53.98460	0.2
55.05509	10.5
56.05028	0.5
57.05817	1.4
58.06592	0.5
64.71233	0.2
69.03421	1.2
69.07067	0.3
70.15250	0.2
70.15572	0.4
72.08149	100.0
73.08475	0.6
81.03415	0.7
85.02918	0.5
86.09697	5.1
87.00829	0.4
95.06281	0.2
97.02885	1.1
97.06522	0.8
97.37231	0.2
99.04451	0.4
109.02863	0.3
117.04819	2.3
120.08080	0.2
127.03908	0.5
132.06674	0.2
132.10194	2.9
169.07970	0.4
185.11037	0.4
185.16502	0.7
213.10551	5.5
231.11617	7.0
231.16969	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	232.0968
Annotation	p-Hydroxyphenopyrrozin
Peak:m/z	Relative Intensity
55.01878	0.4
65.03947	1.3
67.05505	3.9
69.03446	0.6
70.06611	1.2
70.97685	0.7
79.05509	0.4
81.03442	0.6
83.45656	0.3
91.05483	0.9
93.03411	0.6
95.04965	14.1
96.68210	0.4
103.05463	0.4
104.05006	0.5
105.03416	0.5
107.04942	2.4
109.02895	1.1
115.05462	4.7
117.07024	0.5
121.02046	0.3
121.02862	9.7
128.06215	23.8
129.06955	0.7
131.04950	1.2
131.08556	1.5
136.03888	0.4
141.06966	2.3
143.04906	2.3
143.08557	9.0
144.05675	0.8
145.06500	2.4
147.00739	0.8
149.02362	1.6
152.06178	3.0
153.06981	2.3
155.06018	3.2
156.95375	0.3
159.04440	4.6
159.08049	4.8
165.01846	1.0
169.06502	1.7
171.08054	1.8
173.05962	1.1
173.09627	0.4
174.12872	0.5
175.03905	14.2
185.06039	0.7
187.03929	0.5
187.07535	8.0
189.05453	1.5
197.05988	6.1
203.07016	5.3
207.02957	0.5
214.08607	10.5
215.07019	100.0
216.07411	2.1
232.02347	1.4
232.09669	72.3
233.04210	0.4
233.09995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76556	1.4
52.97254	1.6
56.96543	2.7
58.53064	1.5
63.05559	1.3
68.27216	1.3
69.07055	5.2
69.97099	1.9
69.97421	2.3
70.06575	4.4
70.76323	1.2
71.06889	1.3
72.08138	2.6
72.86586	1.3
82.99850	2.4
84.08134	1.9
86.09698	54.8
97.06531	4.0
98.22780	2.0
98.97548	3.6
100.02444	1.6
101.00878	17.2
109.99258	1.8
118.03502	4.1
119.01907	44.8
120.01962	2.2
130.03490	2.1
131.01810	1.9
137.02913	8.5
144.05037	1.5
154.03542	2.2
157.03896	2.2
166.59120	1.4
168.08646	3.0
172.04579	2.1
173.06473	2.3
186.09735	44.9
191.04137	3.6
196.08240	2.3
197.06572	3.2
204.10805	14.8
214.09213	40.5
215.07555	3.5
232.10286	100.0
233.10526	4.2
251.64775	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	232.1695
Annotation	Rotundine A
Peak:m/z	Relative Intensity
57.07060	0.4
91.05494	0.5
106.06536	0.8
117.05755	0.4
118.06542	3.6
130.06522	0.3
131.07310	0.8
132.08083	12.4
134.09634	0.9
144.08073	2.0
145.08850	2.4
146.09608	0.7
157.10182	0.4
158.09634	2.7
159.10429	2.7
159.11644	0.4
174.12773	100.0
175.13106	2.1
176.10632	0.3
232.16946	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	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	26.3
69.77049	25.5
70.06570	22.8
71.15044	29.0
72.08157	100.0
86.09721	60.0
94.61250	25.8
94.93024	76.8
124.57599	24.5
130.36479	23.2
144.53745	23.4
216.42519	25.2
233.06300	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46478	11.4
64.39159	10.3
65.48531	10.9
70.87840	15.5
72.08144	18.5
77.33791	10.8
78.95621	27.2
86.09688	45.4
94.93009	100.0
190.91148	32.4
207.35411	11.0
233.06361	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	233.117
Annotation	Drupanin
Peak:m/z	Relative Intensity
52.90710	0.5
53.03931	1.7
55.01848	2.2
55.05505	3.0
57.07062	1.3
62.99065	0.9
65.03919	0.8
67.05495	5.4
68.99758	0.8
69.03109	0.7
69.03419	6.3
69.07058	5.2
69.09434	4.3
71.04980	3.3
77.03941	0.6
79.05489	14.8
81.03382	1.6
81.07045	7.8
83.04955	2.4
85.06512	1.4
87.00822	1.4
91.05472	16.5
93.07033	11.6
95.04956	7.6
95.08608	2.9
97.02881	0.6
97.06538	0.8
99.04438	5.3
103.05460	2.0
105.04493	1.4
105.07018	30.6
107.04943	15.7
107.08581	5.7
109.06508	3.4
109.10175	0.6
113.06004	1.1
115.05430	2.6
116.06207	0.8
116.70469	0.6
117.06162	1.0
117.07000	18.0
119.04911	3.1
119.08563	10.3
121.06492	11.4
121.10114	3.2
123.04386	0.7
123.08082	0.9
125.05962	1.4
127.07506	1.0
128.06166	3.0
129.06987	5.3
130.07779	10.2
131.04916	1.6
131.08557	12.4
133.06471	3.4
133.10095	4.5
135.04373	1.7
135.08035	4.0
135.11658	3.6
137.05988	2.7
137.09624	1.2
139.07523	0.7
141.06964	3.0
142.07874	0.7
143.08549	6.9
144.05673	1.1
144.09355	3.3
145.06477	7.5
145.10109	66.3
146.07166	0.6
146.10487	1.0
147.08023	2.6
147.11655	6.6
148.08800	4.1
149.05978	1.0
149.09601	1.6
153.06990	1.1
154.07727	4.1
155.07240	0.6
155.08513	2.3
156.09354	1.4
157.06462	0.8
157.10098	1.6
158.07257	4.3
159.08055	5.6
159.11681	18.0
161.05994	1.0
161.09734	2.5
163.07491	1.7
163.11162	69.7
164.11537	1.5
169.10110	7.9
171.08043	1.2
171.11624	1.5
172.08813	2.2
172.61366	0.5
173.09601	100.0
174.06760	0.6
174.08545	0.5
174.09956	2.7
175.07558	1.5
177.12717	1.2
179.08487	1.2
182.07239	1.1
187.07538	1.2
187.11163	29.5
187.14792	1.5
188.11560	1.0
189.09065	0.8
189.12721	2.0
191.07089	0.7
191.10619	6.1
197.09602	4.6
205.12254	5.9
209.08009	0.6
215.07101	1.7
215.10646	24.0
215.17906	2.2
233.08015	1.5
233.11700	26.9
233.15126	3.5
233.18941	3.4
234.11966	1.0
242.94814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.63055	0.9
52.18996	1.2
53.03947	2.0
53.47504	0.9
53.52146	0.9
55.01861	2.5
55.05494	2.9
60.83242	1.0
65.03930	1.1
67.05489	4.7
68.99769	1.6
69.03445	5.8
69.07061	4.4
70.97573	1.1
71.04979	2.9
71.22757	1.1
77.03910	1.2
79.05492	15.7
81.03453	1.3
81.07050	7.7
83.04974	2.1
85.06528	1.5
87.00796	1.5
91.05482	15.9
91.36494	1.1
93.07037	13.8
95.04968	10.0
95.08595	2.3
97.06514	1.8
98.22716	1.1
99.04446	5.7
103.05467	1.9
105.04473	2.0
105.07026	34.7
107.04952	17.3
107.08572	6.8
109.06492	4.0
111.04406	1.0
115.05437	2.1
116.06237	1.4
117.07005	17.8
119.04945	5.0
119.08580	9.6
121.06500	11.6
121.10130	4.5
123.04438	1.3
128.06227	3.6
129.06995	5.1
130.07785	13.7
131.08560	13.4
133.06483	3.0
133.10153	4.7
135.08063	3.7
135.11673	3.3
137.05948	3.3
137.86162	1.1
141.06996	3.7
143.08562	7.5
144.05716	1.2
144.09343	3.8
145.06496	6.0
145.10115	65.6
146.10469	1.9
147.08022	1.5
147.11653	6.2
148.08830	4.5
154.07732	4.9
155.08543	2.5
158.07280	6.7
159.08051	6.5
159.11681	19.8
161.09805	2.0
163.11174	74.4
164.11504	1.5
169.10106	8.0
171.11697	2.2
172.08835	2.6
173.09612	100.0
174.09988	2.4
175.07570	1.9
177.12746	1.3
179.08592	2.2
187.11176	32.7
187.14723	1.2
189.12700	3.5
191.10646	5.6
197.09598	5.0
205.12271	5.2
215.07320	1.7
215.10645	24.1
215.17969	2.4
233.09392	1.5
233.11699	29.8
233.15352	3.9
233.18933	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	233.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05509	3.6
65.07086	2.3
67.05496	4.6
69.03435	33.9
69.07040	2.6
69.68485	8.1
79.05494	54.8
81.07055	4.2
83.04940	2.8
83.08588	5.0
88.33295	2.3
91.05483	18.6
92.47704	2.2
93.07021	8.7
95.04959	7.6
95.08580	5.7
97.56108	2.2
105.07016	10.6
107.04955	50.9
107.08591	10.2
109.10152	2.3
111.08076	6.7
112.60510	2.2
117.06989	10.8
119.08586	91.5
121.06527	3.6
121.10123	8.6
125.09647	3.7
129.06981	6.6
131.08580	5.8
133.10139	7.1
135.08072	2.7
135.11685	4.3
145.06453	2.8
145.10153	3.6
147.08047	84.7
147.11676	7.2
148.08357	2.8
149.09627	7.0
149.13269	3.9
157.10117	3.0
163.07510	3.1
173.13220	7.4
175.11137	7.6
177.09082	3.0
187.14897	2.2
191.14307	59.2
215.17892	2.8
233.15358	100.0
233.19026	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	233.1496
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.93930	0.4
56.05033	18.8
56.96561	1.1
57.03438	2.8
58.06594	4.1
69.60673	0.8
69.61047	0.8
70.06581	0.5
72.08149	1.7
74.06075	100.0
75.04455	0.9
75.06429	0.6
84.04500	3.2
84.08134	0.7
86.09701	22.8
98.97594	2.0
101.07153	1.5
116.98624	1.4
126.12738	0.5
132.10194	17.5
133.64220	0.3
134.99657	0.6
141.48683	0.4
142.12241	0.8
143.11827	0.6
169.13344	2.2
187.14397	9.4
187.16032	0.5
190.98732	0.7
215.13861	4.2
224.27127	0.4
233.09468	0.5
233.14941	7.4
240.74054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02375	0.5
53.03936	0.9
55.01859	0.6
55.05503	3.0
67.05505	0.8
69.03417	4.4
69.07057	1.2
69.78321	1.3
71.04980	0.7
77.03917	1.7
79.05485	47.2
80.05827	0.4
81.07037	2.9
83.04964	0.6
83.08607	5.6
85.02885	0.4
91.05465	2.2
92.51690	0.4
93.07042	3.7
95.04951	5.7
95.08589	2.0
97.06535	0.8
98.22668	0.4
98.98430	0.5
105.04493	1.8
105.07016	5.8
105.10532	0.4
107.04942	53.9
107.08583	7.4
108.05273	0.6
109.06478	0.9
109.10126	0.6
111.04382	0.5
111.08076	4.9
115.05421	0.3
117.07014	0.7
119.08568	4.0
121.06482	1.8
121.10126	5.3
123.08069	1.0
123.11652	0.5
125.09622	3.2
129.07011	0.7
131.08563	4.8
133.10126	4.1
135.08047	1.8
135.11685	0.6
137.05951	0.4
139.07475	0.4
142.07748	0.6
143.08556	1.0
145.10136	2.2
147.11656	8.2
148.12408	0.4
149.09610	8.1
149.13226	2.5
150.10350	0.4
153.09004	0.4
157.10126	2.2
158.10863	1.9
159.11713	0.4
160.08836	1.0
163.11188	0.5
171.11583	0.5
173.13264	5.8
175.11174	9.4
177.09126	0.6
182.10858	0.4
187.14693	0.8
189.12651	0.4
191.14287	64.0
192.14626	1.1
197.13232	1.0
205.09750	0.5
215.14294	1.8
215.17877	0.6
233.15331	100.0
234.15636	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	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.03427	1.4
70.20226	0.4
70.20529	0.3
79.05499	1.3
81.07043	4.2
82.52796	0.2
87.84847	0.2
94.04052	1.2
98.22655	0.2
119.03535	2.9
135.43449	0.3
136.06175	100.0
137.04582	1.6
137.06535	0.6
177.07425	0.3
190.10921	1.3
190.12357	0.3
234.13474	63.6
234.45815	0.3
235.13696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.2
51.02393	0.4
53.00321	0.4
53.03943	2.7
53.04153	0.2
55.01869	1.1
55.05526	1.1
56.05036	2.0
57.07071	1.7
58.06590	1.2
60.04523	0.3
61.93000	0.2
65.03936	3.0
67.01865	0.3
67.05498	3.4
68.05033	0.3
68.99784	6.2
69.03419	2.4
71.08655	0.8
71.40852	0.2
74.06069	1.9
77.03911	1.4
79.01864	0.4
79.05521	0.9
81.03416	6.5
83.01385	0.3
83.04980	6.2
84.99319	0.2
86.06063	0.3
88.07629	5.8
89.07986	0.4
93.03391	1.1
95.01326	0.5
95.04965	9.9
97.02882	0.4
105.03389	5.3
105.04464	1.1
107.01363	0.8
109.02873	9.2
110.06055	0.5
111.04445	4.1
118.08679	0.6
119.01294	0.2
119.08604	0.4
121.02890	0.9
122.08110	1.5
123.04430	15.6
127.03905	0.6
130.04654	0.2
133.02840	5.4
137.02342	3.1
139.03894	0.6
151.03899	5.1
155.03386	2.5
157.24496	0.2
161.02321	5.5
165.01836	4.6
165.03273	0.3
165.03854	0.3
169.01305	0.7
169.04936	0.3
179.03384	25.2
179.10582	0.3
180.03761	0.4
183.02876	3.1
186.18532	8.4
187.18869	2.5
189.01793	1.1
193.01253	0.5
197.04456	0.5
207.02875	100.0
208.03181	2.2
211.02341	2.9
216.19672	0.3
225.03923	6.5
229.88611	0.2
234.20616	14.2
235.02336	10.5
235.16988	1.5
235.20912	3.5
253.03363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	5.3
60.08160	1.7
69.17396	8.0
86.32273	1.6
89.06100	1.6
92.56134	1.4
102.96687	1.8
105.52886	1.4
136.93988	1.6
160.96071	1.7
175.02425	7.9
179.10722	3.4
187.33917	1.5
193.03569	3.1
212.08900	1.4
235.05650	100.0
235.16882	9.8
236.06116	1.7
236.14877	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	235.0568
Annotation	Benzo[b]naphtho[2,1-d]thiophene
Peak:m/z	Relative Intensity
51.98994	1.6
53.44439	1.4
53.48406	1.2
54.81648	1.4
55.62828	1.3
58.78366	1.3
62.98256	1.6
67.92104	1.3
72.08153	1.7
74.67123	1.4
79.12165	1.2
91.32935	1.4
101.13923	1.5
123.13884	1.4
135.48907	1.4
136.94025	3.1
141.28622	1.3
175.02422	5.4
193.03445	2.4
235.05667	100.0
236.06052	1.6
236.14980	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	235.0964
Annotation	Swerilactone M
Peak:m/z	Relative Intensity
55.01863	2.6
57.03428	4.8
58.25885	1.3
68.10355	1.4
68.29361	1.4
69.68251	1.8
69.68597	4.6
71.01338	5.6
76.72417	1.7
79.21872	1.8
85.02890	3.4
91.05474	10.2
98.23423	2.0
103.05449	6.4
105.07030	5.3
107.08616	1.7
115.05461	8.9
117.07018	12.1
119.04940	4.2
119.08539	3.3
128.06212	27.4
129.07002	76.3
129.07980	3.7
130.07339	1.3
131.04950	13.3
131.08559	4.7
132.05731	1.9
133.06497	4.0
136.05194	2.9
137.05969	8.3
139.05432	4.9
141.07024	1.9
143.04932	5.8
143.08501	2.1
144.05711	4.3
145.06480	21.3
146.07262	4.7
147.04352	2.0
147.08066	4.9
149.05937	2.4
151.03925	3.7
151.07561	8.6
155.04933	1.8
155.06041	6.6
156.05685	4.8
157.06490	67.3
158.07184	4.7
159.04395	5.8
159.08133	2.2
160.05211	4.7
161.05954	6.3
161.09619	3.9
163.07530	6.9
165.09148	2.1
167.04979	2.3
171.07971	2.8
173.05972	4.6
174.06758	31.3
175.07527	17.6
176.08334	2.0
177.09167	3.9
184.05162	2.0
185.06000	27.3
186.06630	1.8
189.09100	57.9
190.06143	2.7
191.06961	4.5
199.07539	8.9
202.06291	7.8
203.06944	2.3
205.08440	2.8
207.10210	2.4
217.08583	44.5
235.09639	100.0
235.16888	2.0
241.68913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	CHEBI:67430
Peak:m/z	Relative Intensity
57.07059	1.9
65.03893	1.0
67.05496	1.5
69.07075	1.6
71.01805	2.3
71.04985	5.9
79.01549	1.1
79.05473	1.9
81.07050	1.9
89.06077	1.1
91.05474	15.4
93.07034	7.8
95.04995	1.7
95.08596	1.6
107.08590	2.3
109.06480	1.1
117.07006	9.1
119.08577	80.8
120.08916	1.2
121.10146	2.1
127.01513	1.1
129.06978	4.7
133.06511	1.5
135.08130	1.5
147.08044	100.0
148.08359	2.2
159.07712	1.3
173.89200	1.4
179.10754	1.1
202.98608	1.4
211.91875	1.2
235.05991	2.9
235.14914	2.9
235.16867	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	235.1553
Annotation	Benzoylagmatine
Peak:m/z	Relative Intensity
55.01867	0.6
55.05514	1.4
57.07069	3.3
60.05656	0.4
60.85356	0.4
63.33096	0.4
67.05495	0.8
69.07092	0.4
70.06606	0.6
71.42677	0.4
72.08149	7.1
73.04044	0.9
77.03930	1.1
77.45860	0.4
79.05496	2.3
80.56752	0.4
81.03412	3.3
81.07063	1.6
84.08157	0.4
85.27206	0.5
87.04459	0.7
91.05484	1.3
93.07038	1.3
94.99027	0.4
95.04965	3.2
95.08624	0.5
97.06557	0.5
97.07652	1.4
98.06059	1.4
99.04456	0.4
104.04982	0.7
104.45944	0.4
105.03384	100.0
105.07019	1.6
106.03721	0.7
107.08552	0.7
112.07745	0.4
113.22408	0.4
114.10303	1.3
115.08683	11.1
117.06995	1.2
119.08563	0.8
121.06534	0.8
121.07567	0.4
122.05998	2.2
123.04377	0.5
128.06242	0.5
129.07010	1.4
131.08595	0.7
133.10132	0.9
134.06010	6.3
135.08032	0.8
136.06187	1.4
137.06564	0.8
143.08580	0.5
145.10147	0.6
147.08003	0.9
150.05595	0.4
161.05867	0.4
161.13249	0.5
163.07503	0.6
175.07446	0.8
175.12309	27.1
176.10695	43.4
179.10651	2.1
189.12697	0.8
193.13301	1.8
199.05754	0.9
217.12422	1.2
218.12862	18.0
235.10564	1.8
235.13495	3.4
235.15430	52.5
236.15701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
52.58671	0.4
53.03955	2.5
55.01863	1.0
55.05511	2.6
57.07072	0.6
64.71677	0.5
65.02378	0.4
65.03948	0.6
67.05504	20.1
69.07071	2.7
69.49586	1.9
71.04974	1.2
77.03924	3.5
79.05493	30.0
81.07055	8.2
83.04977	0.9
83.08623	1.4
84.93021	0.5
85.06532	0.9
85.71870	0.4
91.05480	36.8
93.07043	100.0
94.07364	1.1
95.04970	14.1
95.08604	5.8
97.06522	0.9
99.08087	0.5
105.04503	5.6
105.07018	4.7
107.08589	14.1
109.06529	1.4
109.10165	1.8
117.07014	1.7
118.95039	0.5
119.08566	5.2
121.06558	0.6
121.10144	21.9
128.06285	0.6
129.07008	1.3
130.07329	0.5
131.08565	2.9
133.10124	5.6
135.08076	2.9
135.11700	3.7
137.09633	0.7
143.08589	0.9
145.10135	1.2
147.08083	0.9
147.11708	0.6
149.09654	1.2
157.10097	1.1
161.09587	0.6
171.11653	1.1
173.13304	0.6
175.11049	0.7
175.14818	3.0
178.09470	1.4
179.10735	0.5
189.12805	0.9
189.16374	1.7
193.12291	0.5
199.14813	2.6
217.15875	2.0
235.16913	14.1
235.19118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66457	0.3
56.23997	0.3
57.03435	8.3
58.06598	20.6
59.07380	7.9
60.08162	6.8
63.96748	0.3
73.02912	1.3
75.04082	0.5
75.04476	5.0
76.09942	0.3
85.02899	1.8
87.04463	6.1
93.05486	0.7
94.06570	0.8
98.97558	0.6
100.91750	0.3
101.05994	0.4
101.38054	0.3
103.03934	0.9
105.05502	0.7
130.08630	0.4
131.07024	1.5
144.10179	0.9
159.06548	0.3
180.10890	0.4
183.99260	0.3
236.14906	100.0
237.15257	1.5
254.95152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.4
57.07068	0.3
57.49026	0.2
59.28241	0.2
65.75490	0.2
66.12961	0.2
67.05486	0.6
70.06583	0.9
71.05013	0.3
71.42724	0.3
72.08147	0.5
74.02434	1.4
75.64100	0.2
84.08128	0.6
86.09678	0.5
89.13600	0.3
89.98929	0.2
91.05453	1.8
93.07043	2.0
94.06561	7.6
95.04932	0.4
95.06885	0.4
99.00813	2.0
103.05459	5.8
104.04990	1.9
105.07004	0.5
107.08574	0.4
108.04482	0.3
117.05777	0.2
118.06531	7.9
120.04496	3.0
120.08094	100.0
121.08453	1.3
122.06029	0.5
126.01044	1.0
130.06523	0.5
132.04436	2.2
136.06445	0.4
136.06696	0.2
136.07561	12.6
146.05995	18.0
148.03879	0.7
150.05489	3.4
150.09164	0.4
154.94231	0.4
163.08652	0.7
164.07045	2.3
172.95265	0.5
174.05498	9.8
188.05911	0.6
190.92479	0.3
190.96281	0.3
191.08197	0.4
191.11818	0.3
192.06534	8.8
192.99699	0.3
202.04979	3.2
213.94154	0.4
220.06067	3.0
220.09567	0.3
232.04938	0.6
236.17174	0.3
237.05626	0.4
237.08691	1.1
237.12215	3.1
254.99728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28253	6.6
55.01867	6.3
55.05504	10.8
62.49490	5.8
67.05495	10.8
69.07058	14.1
71.04982	9.1
74.99077	6.8
79.05469	18.3
81.07039	14.2
83.08598	8.8
85.94810	5.8
91.05466	17.9
93.07027	18.0
95.04960	8.5
95.08553	14.1
97.10152	6.6
98.23582	7.4
103.05437	6.5
104.05270	9.7
105.07034	15.4
107.08581	17.0
109.06518	8.0
109.10176	8.9
112.20845	6.5
119.08566	12.2
120.08102	8.4
121.06493	12.1
121.10165	6.8
123.08056	7.7
129.07001	23.1
131.08569	34.6
132.04825	8.1
135.08063	14.2
135.11659	7.5
141.06972	19.5
145.10097	8.8
157.06505	14.6
158.07280	10.2
159.07988	16.5
159.11725	8.2
173.13245	7.5
174.06804	32.9
178.14279	6.0
186.06729	9.9
189.09087	67.5
191.14313	7.6
201.09109	26.6
219.10133	100.0
219.13538	11.2
219.17409	8.3
233.97313	5.5
237.14844	22.9
238.18011	9.7
244.70757	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	238.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29518	0.3
53.03941	0.7
55.01868	0.7
55.05256	0.6
55.05506	8.3
57.07071	0.3
63.17060	0.3
68.99780	1.0
69.03431	0.4
69.08057	2.7
76.03986	0.5
77.03908	0.5
79.05498	1.2
83.04974	0.4
91.05497	0.8
93.07040	1.4
95.04955	1.2
95.08607	0.8
97.02887	2.5
98.23541	0.7
105.03403	2.2
107.04946	9.2
107.08587	1.3
108.79665	0.4
109.06504	0.5
111.04427	6.8
115.05470	0.7
117.07030	2.2
118.06576	0.3
120.08057	0.4
121.02822	0.4
121.06479	4.4
123.04424	0.6
125.02345	13.8
126.01037	1.0
126.03133	8.0
127.03870	0.4
135.04465	0.4
135.08043	14.3
135.09071	0.7
136.08437	0.4
139.03889	47.5
140.04156	0.4
145.06439	1.9
149.81744	0.3
153.05466	2.8
163.07526	42.9
164.07893	0.5
181.08575	100.0
182.08957	2.3
198.95894	0.4
209.05933	0.5
220.09761	0.5
232.16147	0.4
238.08534	0.8
238.10770	2.0
238.14380	0.8
238.18001	0.7
239.08897	0.7
249.42969	0.4
258.79630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94148	0.4
53.03934	1.0
58.02959	15.8
65.03931	0.3
67.33763	0.4
69.19173	0.5
69.19582	1.6
71.04985	5.6
72.16560	0.3
81.03362	0.3
91.05470	1.4
93.07011	0.7
93.74368	0.3
95.04958	2.9
107.04948	19.8
107.08574	0.7
109.02852	0.7
111.04446	0.7
111.81055	0.4
115.05449	4.9
117.07012	17.0
121.06488	1.7
123.04379	1.2
135.08044	32.7
136.08336	0.4
139.03868	0.5
141.10822	0.4
145.06480	21.4
148.15846	0.4
155.06015	1.2
163.07532	66.8
164.07883	1.4
169.73381	0.4
173.16318	0.4
176.11861	0.4
181.08583	100.0
182.08928	1.7
189.24275	0.4
207.06625	1.9
220.09724	0.8
238.10866	2.4
239.08951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75601	1.5
62.97934	2.4
62.98255	42.8
66.77301	1.6
70.57788	2.4
90.97707	5.1
102.97675	3.2
104.18153	1.3
104.99262	100.0
116.99247	12.8
118.97179	74.9
120.98759	9.2
122.09715	1.4
127.41489	1.8
129.82347	1.4
131.00787	3.0
132.98729	12.7
135.00282	4.2
144.98701	6.6
148.98186	19.3
159.00308	19.0
160.98233	5.9
162.99835	1.4
174.99823	2.3
178.99249	14.4
184.98198	3.0
220.02565	1.5
221.00339	7.9
239.01376	26.8
239.08768	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	Primuliten
Peak:m/z	Relative Intensity
53.03937	0.3
54.15177	0.1
55.01853	0.2
55.05485	0.2
59.19217	0.1
65.03933	1.6
67.05490	0.2
68.99783	0.2
69.07063	0.2
77.03944	0.5
79.05474	0.3
81.03423	0.2
81.07036	0.4
91.05472	1.4
93.03395	1.7
95.04958	3.7
95.08613	0.3
95.88596	0.1
104.14411	0.1
105.04500	0.7
105.07047	0.2
109.10164	0.1
111.04431	0.7
119.04932	5.5
121.02853	7.3
121.10101	0.1
122.03127	0.1
129.06917	0.3
132.81984	0.1
139.03862	0.8
141.06964	0.4
143.08516	0.3
145.02831	3.2
145.10124	0.1
152.06204	0.7
153.06958	0.4
155.08527	0.8
157.10147	0.3
165.06981	3.5
166.07768	0.2
167.08504	0.3
168.09335	0.1
169.10109	0.4
171.11667	0.3
172.82892	0.1
176.06207	0.6
177.07019	0.6
182.07341	0.1
183.08057	1.2
183.11678	0.4
193.06325	0.8
194.07286	0.2
195.08105	0.1
197.06021	0.2
197.13257	0.6
207.10146	0.2
211.07481	1.0
221.05927	0.2
239.06992	100.0
239.17891	1.8
240.07330	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	239.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36940	6.3
51.50530	7.1
68.80978	6.4
88.58315	6.2
89.06028	100.0
98.22706	20.8
121.83635	6.6
133.08607	31.2
134.53648	7.4
147.73810	7.3
148.47708	6.6
167.81064	7.4
219.37758	7.4
239.08977	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0496
Annotation	Danthron
Peak:m/z	Relative Intensity
51.66365	0.1
52.28244	0.1
53.00297	0.2
55.01881	0.3
61.25737	0.1
61.42548	0.1
67.01858	1.4
68.99787	47.9
69.10396	0.1
69.13280	0.8
70.00124	0.4
71.01349	1.3
75.62548	0.1
77.03931	0.3
83.01357	0.3
92.99760	1.3
95.04961	0.9
96.99226	0.5
102.04703	0.1
103.05466	10.0
104.05775	0.2
105.03389	7.8
105.04520	0.4
105.55657	0.1
106.03734	0.2
111.00804	5.0
115.00271	0.2
115.05466	1.2
117.07034	0.2
118.98978	0.1
122.86148	0.1
124.57068	0.1
125.15318	0.1
127.05473	0.4
128.06221	0.2
129.01859	0.5
129.03355	1.1
129.07019	0.5
131.04958	0.4
139.00256	56.1
139.05394	1.0
140.00679	0.5
141.07018	0.2
143.04921	0.4
145.06558	0.2
147.04398	0.4
148.40475	0.1
151.05402	0.1
152.31564	0.1
153.03343	2.9
153.04514	0.2
157.01326	4.1
157.06427	0.6
166.03934	0.1
171.04398	0.7
189.05452	0.1
195.04402	1.6
213.05457	4.9
214.05835	0.2
223.03862	0.8
225.05519	0.4
241.04939	100.0
242.05298	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.086
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
53.03947	1.0
54.50315	0.2
55.01869	0.6
55.20850	0.2
68.99792	9.8
69.03416	0.6
70.68241	0.4
77.86362	0.2
79.05492	1.4
81.03417	5.5
91.05482	1.5
92.99753	0.4
95.01350	0.3
95.04974	0.7
101.67160	0.2
103.05469	9.7
105.03399	2.5
105.07025	0.6
107.01313	0.9
107.04954	2.6
107.81628	0.2
109.02886	1.8
110.31094	0.2
111.00817	0.7
111.04437	0.5
114.09188	0.3
115.05473	0.4
121.04034	0.3
121.09978	0.2
124.36385	0.2
127.03870	0.4
131.04930	14.6
135.04407	0.9
137.02339	100.0
138.02692	1.6
139.00264	8.8
139.05397	0.3
142.08681	0.4
145.06471	0.3
152.06180	0.4
153.03384	0.5
155.03394	10.5
155.04836	0.6
157.01309	0.7
157.06514	0.3
163.03937	1.8
167.08521	0.5
171.04413	1.9
173.06004	4.9
182.15385	0.3
195.08057	0.9
199.07512	0.7
210.14996	0.4
213.05450	0.4
223.07568	1.7
226.98198	0.2
241.04967	19.6
241.08617	50.0
242.05348	0.4
242.08955	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0858
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
53.03947	0.8
55.01868	0.7
58.64142	0.2
68.99789	2.5
69.03432	0.2
70.70683	0.3
70.82239	0.2
71.64271	0.2
79.05494	1.4
81.03410	4.6
81.03896	0.2
91.05490	1.4
95.04966	0.3
98.23412	0.3
103.05466	7.0
104.99395	0.2
105.03410	1.3
105.07024	0.7
107.01302	1.1
107.04946	2.0
109.02888	1.6
109.95412	0.2
111.04396	0.2
121.03900	0.2
123.20335	0.2
131.04922	11.4
132.05191	0.3
135.04407	0.9
137.02336	100.0
137.51157	0.2
138.02690	1.4
139.00258	1.5
145.06416	0.3
155.03394	5.5
155.04678	0.3
163.03903	1.4
167.08524	0.5
173.05994	5.3
195.08066	1.0
199.07541	0.6
206.63092	0.2
208.85362	0.2
223.07556	1.5
241.05104	2.8
241.08588	48.2
242.08897	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	241.1214
Annotation	3,5-Dimethoxystilbene
Peak:m/z	Relative Intensity
53.66687	0.5
55.79155	0.4
69.03432	0.5
69.32063	2.1
70.06560	0.6
71.06113	52.6
81.03383	0.5
81.07057	0.5
83.08596	0.4
85.07725	0.4
90.03423	2.4
90.11414	0.4
93.07037	0.5
95.08575	0.7
98.99986	1.4
99.09239	0.8
100.07636	2.6
103.05476	0.7
107.06119	0.4
107.08572	1.0
121.10126	0.6
122.98676	0.5
124.11190	1.3
126.01061	100.0
127.01373	1.0
128.02625	23.1
129.02946	0.5
131.04945	1.6
131.08586	0.5
137.02307	2.3
139.07565	0.7
144.02048	0.5
149.09639	0.7
157.06447	0.9
171.06831	55.0
172.07178	1.1
196.06245	0.9
210.08022	1.3
213.09216	0.5
224.16447	1.9
241.05174	3.7
241.12134	67.3
242.12292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03936	1.6
54.27588	1.5
55.01855	1.7
55.05510	10.5
57.07077	2.5
67.05505	11.5
69.03431	18.3
69.07078	7.4
70.56879	1.1
71.05000	4.0
71.06112	1.6
71.41319	2.0
78.62540	1.3
79.05487	7.1
81.03437	1.7
81.07055	10.6
83.04991	2.9
85.02901	1.8
85.06521	1.8
91.05471	10.5
93.07043	27.2
95.04960	8.1
95.08606	14.3
97.02905	2.9
97.06557	1.6
98.97565	3.7
100.07648	2.7
103.05495	1.5
105.07019	9.1
107.04269	1.4
107.04971	5.6
107.08592	55.5
108.04477	9.6
108.08943	1.6
109.06493	6.7
109.10162	12.6
111.04444	1.9
111.08097	2.8
114.09046	4.3
115.05521	1.4
115.09362	1.8
116.98616	2.3
117.07052	4.0
119.08577	27.2
121.06499	27.0
121.10159	15.5
122.07291	7.1
123.08077	23.7
123.11761	1.7
125.09628	3.2
126.01076	8.1
126.05505	3.3
127.01418	3.4
128.00798	3.3
129.07051	2.6
131.04933	1.8
131.08607	4.1
133.06557	1.2
133.10104	11.3
135.08052	53.4
135.11688	48.0
136.07536	1.8
137.09613	91.4
138.10054	1.7
139.07568	3.0
140.10686	1.6
144.09329	2.4
145.06558	1.8
145.10112	1.4
149.05914	1.8
149.09622	2.2
149.13251	32.9
152.10779	2.0
153.09125	2.3
153.12672	1.7
157.10104	1.4
159.11696	19.9
163.07552	3.6
163.11198	3.3
167.07100	2.0
167.08496	2.5
171.04402	8.5
171.06851	1.6
177.12746	100.0
178.13124	1.4
181.06526	2.3
181.08589	9.0
187.11133	1.7
195.10194	2.0
195.13788	20.9
199.03891	2.4
199.11113	1.5
205.12253	7.0
213.05528	2.7
213.09120	1.5
223.13261	18.7
224.16438	4.8
241.04703	8.1
241.08452	2.9
241.10475	9.1
241.12558	1.8
241.15898	2.0
241.19193	2.9
242.09857	2.3
242.11813	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	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	1.1
60.08158	4.9
60.29784	0.2
64.07137	0.2
69.82053	0.3
69.82399	0.3
75.22406	0.2
84.08105	0.2
87.60192	0.2
94.06566	0.9
98.22793	0.3
101.07993	0.2
104.10735	100.0
105.11049	0.8
139.91470	0.5
152.07071	0.4
215.99895	0.2
241.15468	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	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05016	0.3
56.96566	3.8
58.06598	19.2
68.05025	0.2
69.03448	0.3
69.75174	0.5
69.75539	0.5
70.06236	0.4
70.06590	4.5
71.04984	0.6
71.95255	0.2
72.08154	0.4
80.05020	5.3
81.03406	0.5
82.93478	0.2
84.08138	10.4
85.02918	0.4
85.06550	0.4
89.59799	0.2
96.04535	0.2
97.02903	0.3
97.07650	6.5
98.06046	0.5
98.09686	1.5
98.22779	0.3
98.97583	24.2
100.11258	0.6
114.05569	0.3
116.10628	0.2
116.98617	15.4
119.01968	0.4
121.01681	0.7
122.36572	0.2
126.05551	0.4
128.10716	3.6
131.92581	0.2
134.99658	5.9
139.05301	0.2
140.00198	0.3
140.03673	0.3
144.10219	1.2
146.04868	0.4
152.10732	0.2
153.00679	0.6
155.04834	0.3
156.97426	0.4
157.06351	2.0
158.04823	0.7
158.08102	0.4
168.10176	0.9
169.15042	0.2
173.05948	0.5
174.07793	0.3
175.07449	4.1
177.00922	0.5
181.06403	0.8
182.04837	0.5
196.09698	5.2
197.40831	0.2
198.07814	0.4
198.98604	0.2
199.07443	14.8
200.05891	0.5
200.07640	0.2
200.97470	0.2
201.04349	0.3
213.16066	0.4
216.09018	0.4
217.08507	15.7
217.95677	0.2
218.06264	0.5
219.01984	1.0
234.99840	0.2
240.10156	0.3
240.98677	0.5
241.15451	100.0
242.15799	2.0
258.99756	6.1
259.10641	0.7
259.99960	0.5
261.03186	0.3
262.79041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.9
57.07058	1.0
57.78311	0.6
67.05495	5.0
69.07050	3.8
79.05486	5.0
81.07047	10.5
83.08604	1.8
91.05461	7.2
93.07029	9.6
95.04951	0.8
95.08591	10.5
105.07018	15.7
107.08588	7.7
109.06630	0.6
109.10145	4.3
112.24645	0.5
115.05434	0.5
117.07011	3.2
119.08569	11.3
121.10136	5.0
123.11681	1.6
128.06229	2.7
129.06978	8.2
130.07759	1.4
131.08546	10.4
133.10123	10.2
135.11688	3.1
141.07004	1.9
142.07748	4.6
143.08548	21.8
144.09242	1.8
145.10106	15.6
147.11658	9.1
149.13242	1.1
155.08546	2.1
156.09348	4.8
157.10107	18.9
158.10886	0.8
159.11674	13.2
161.13275	3.2
169.10037	0.9
170.10884	3.1
171.11668	24.5
172.12451	1.2
173.13234	5.5
175.60849	0.7
183.11687	2.6
184.12416	0.6
185.13232	28.5
186.13872	1.1
197.13200	2.7
198.13962	1.6
199.13062	1.2
199.14809	16.0
200.15419	0.8
211.14801	1.4
212.15495	1.4
213.16315	4.7
226.17122	0.8
241.19482	100.0
242.19948	3.3
253.70537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06243	0.2
63.44208	0.3
64.24929	0.2
71.57799	0.3
72.04138	0.2
72.04514	0.8
78.16394	0.3
88.02214	1.0
89.07849	0.2
104.01674	1.1
106.03241	100.0
107.03565	0.4
114.96140	3.1
118.80195	0.3
126.96149	0.6
130.65498	0.3
131.17033	0.3
136.05136	0.3
154.95604	0.5
165.36842	0.2
167.98799	0.8
185.99829	24.4
187.00278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0811
Annotation	122890-42-0
Peak:m/z	Relative Intensity
53.68072	0.1
54.03472	0.2
55.01878	0.4
63.29106	0.1
66.48313	0.1
67.01861	0.2
68.99786	5.4
69.00161	0.3
71.01350	0.4
71.42997	0.1
77.03933	0.2
80.05029	0.3
82.02929	0.2
91.05468	0.2
92.01377	0.6
95.04939	0.3
103.05463	0.6
105.03384	3.9
105.04486	0.1
105.07034	0.8
108.04484	0.7
109.02885	0.9
110.02461	0.1
111.00809	0.2
114.80215	0.1
115.05443	3.9
116.05785	0.1
117.07014	0.5
124.03948	0.2
127.05451	1.4
128.06210	0.5
129.07011	1.8
129.28522	0.1
131.04941	2.0
135.93832	0.1
136.02948	0.2
136.03938	2.3
138.01857	14.6
139.00258	0.7
141.06985	16.5
142.07317	0.3
144.08075	0.5
145.06514	1.0
152.06204	0.3
153.06973	0.3
155.04926	3.4
155.06049	0.7
156.02879	0.9
157.01340	1.1
164.03418	3.6
165.01788	0.5
167.07333	0.5
168.08076	0.8
169.06477	8.9
170.06842	0.2
179.04741	0.2
179.06100	0.2
183.04378	0.9
196.07581	0.4
197.05972	9.6
198.06303	0.3
200.07024	0.2
201.05490	0.4
214.08629	5.2
215.07040	1.3
223.03873	0.2
224.07042	0.4
225.05452	100.0
226.05798	2.7
242.06033	0.6
242.08105	15.4
243.06456	0.6
243.08470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70057	0.6
56.78587	0.6
56.96573	1.0
57.54039	0.7
69.64825	2.7
71.05995	0.6
84.04500	9.2
86.09705	9.6
96.00820	0.6
98.22729	0.8
98.97570	1.9
112.03714	7.4
116.98631	1.3
117.02295	0.8
126.01064	3.0
132.10217	3.7
153.05220	6.6
194.07881	0.7
197.12825	3.8
224.08990	7.4
242.09987	100.0
243.06552	0.9
243.10353	2.1
243.17920	0.8
260.77649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.1
68.25393	0.6
70.06582	1.2
70.64625	1.0
74.06046	0.6
80.05027	3.3
85.02905	0.5
86.99043	0.8
97.02868	0.6
98.97580	1.8
101.62467	0.7
111.04443	2.8
112.03733	6.7
116.98645	1.6
120.96849	0.6
126.01057	2.5
128.07109	0.6
134.99669	0.7
139.03877	3.5
153.05232	6.2
164.08176	0.7
210.08713	1.3
224.08934	7.5
242.09976	100.0
243.06483	1.0
243.10207	1.6
260.00131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
53.95040	0.2
55.01861	0.2
55.57329	0.2
57.03422	0.5
57.04110	0.2
58.06592	0.2
59.06950	0.2
60.74655	0.2
61.02919	1.4
69.03426	2.0
70.06562	0.3
70.50407	0.5
71.05007	0.3
73.02914	0.6
79.64075	0.2
80.05013	100.0
81.03419	1.1
81.05351	0.8
85.02898	6.4
85.06535	0.3
87.04446	0.3
91.03916	0.4
92.63590	0.2
97.02879	1.6
97.07645	0.3
99.04466	0.4
104.10740	0.5
109.02884	0.6
119.01883	0.2
123.13991	0.2
127.03938	1.0
145.04971	0.8
160.04634	0.2
211.26830	0.2
218.06221	0.6
242.10202	1.4
242.15758	2.8
257.92261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
57.07066	0.6
58.02947	0.4
59.35870	0.2
60.04507	0.7
67.64676	0.2
69.32196	0.2
70.06578	0.4
79.05494	0.2
81.07043	0.7
83.08599	0.6
88.03984	100.0
89.04314	0.3
91.05482	1.0
96.08121	0.8
98.06048	0.2
99.08087	0.4
100.11294	0.3
118.32421	0.2
127.05716	0.3
128.00783	0.2
137.05986	0.3
140.10692	4.1
142.04158	0.2
144.10185	19.8
145.10455	0.3
155.07002	0.3
186.03151	1.6
186.11238	4.8
186.16960	0.2
224.06993	0.9
229.04224	0.2
242.05690	0.3
242.15346	0.4
242.17522	2.8
243.06342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74036	0.4
57.07072	3.2
58.06598	2.9
59.25259	0.3
62.98252	0.9
70.71021	0.7
71.02682	0.3
72.08130	0.8
74.09723	1.1
77.96956	0.4
82.94064	0.3
86.09688	0.5
87.10592	0.4
98.23369	0.4
100.11254	15.3
122.00654	0.4
128.14359	1.9
130.15892	4.7
139.37828	0.4
142.15906	36.6
143.16241	0.6
156.94789	0.4
161.01816	0.4
168.95445	0.4
184.20586	6.6
184.88913	4.8
186.22171	13.2
196.89977	0.4
208.11003	0.4
232.08661	0.3
242.09879	1.0
242.28413	100.0
243.28790	2.3
245.43141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25165	0.2
52.34346	0.2
56.96557	0.6
58.06588	0.3
70.06586	0.9
70.82179	0.2
72.08147	0.4
80.05012	0.9
80.79017	0.2
81.05344	0.5
82.99875	0.5
84.08149	0.4
85.02921	0.2
96.60595	0.1
97.07637	0.3
98.23322	0.2
98.97573	3.1
100.97987	0.2
101.00871	4.8
116.98614	2.4
119.01910	15.4
120.02015	0.4
122.97829	0.3
130.66852	0.2
134.99760	1.6
137.02951	3.2
140.98811	0.5
153.00887	0.5
158.99840	2.7
160.04536	0.2
165.99646	0.3
175.03070	0.4
177.00935	29.4
178.00998	1.7
182.99892	0.7
184.04454	0.2
193.04051	0.6
195.02043	0.5
201.00902	2.3
201.02562	0.2
202.01054	0.3
217.04082	3.7
218.04086	0.3
219.01985	33.1
219.06450	0.7
220.02141	3.0
221.01912	0.3
225.00876	2.0
226.01138	0.2
232.54700	0.2
234.00687	0.4
242.15776	1.8
243.01961	9.9
243.15862	0.3
244.02156	0.5
261.03030	100.0
262.03198	5.2
263.03494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
56.96564	42.6
57.03411	2.3
69.03423	5.8
69.07050	4.3
70.06575	5.6
71.04970	2.4
71.06767	3.5
72.08154	14.2
77.80503	2.1
81.07077	3.2
84.04486	6.3
84.08134	100.0
85.02921	3.2
85.08441	2.5
86.09718	5.8
92.14303	2.4
96.01999	2.3
97.91558	2.4
102.96835	7.5
116.98544	3.2
127.03910	3.0
130.04979	3.5
130.06522	3.3
131.06390	4.1
131.12926	5.1
140.70641	2.3
174.02258	26.0
188.03848	6.0
190.21352	2.5
192.03323	41.7
197.12886	2.6
201.12325	4.2
204.03429	3.7
206.04910	16.1
210.04384	9.5
215.04964	13.8
215.13919	5.7
217.06496	10.3
222.04305	3.2
224.06136	3.1
233.05913	12.9
235.07478	13.5
243.07347	9.3
243.13564	4.3
243.16872	20.1
247.03839	2.5
261.05426	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	243.0651
Annotation	4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid
Peak:m/z	Relative Intensity
53.03929	0.7
55.01874	0.6
67.01872	0.5
68.99787	23.2
69.12383	2.4
71.01348	8.7
77.03925	0.8
81.03416	1.8
91.05473	0.9
92.99762	2.0
93.63910	0.4
95.04955	1.2
98.23540	0.9
100.11237	1.5
103.05447	5.6
105.03391	7.7
105.07021	16.0
109.02872	14.8
111.00790	7.2
111.18645	0.4
115.05452	7.3
117.07014	1.8
123.00787	0.8
127.05442	1.5
128.06215	0.8
128.53510	0.4
129.07001	5.3
131.04913	17.2
131.05902	1.0
137.02350	7.5
139.00253	62.6
140.00601	0.9
141.06978	44.4
142.07310	1.0
142.15877	2.7
142.21396	0.4
143.04912	0.5
143.16197	0.5
145.06483	3.0
151.05481	0.4
152.06172	0.7
153.06960	1.3
155.04901	7.2
155.06061	2.1
157.01315	20.9
157.06485	1.4
165.01833	40.1
166.02179	0.6
168.05637	0.9
169.06471	40.7
170.06775	1.0
173.05951	0.5
179.04816	0.4
183.02953	0.6
183.04451	1.5
186.22232	0.5
197.05957	29.5
198.06349	1.1
201.05490	3.0
215.07011	100.0
216.07361	2.4
225.05441	89.9
226.05788	5.3
229.17201	0.5
242.28429	5.8
243.06514	51.0
243.28745	2.4
244.06851	0.9
264.59421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0653
Annotation	2-Hydroxy-2H-benzo[h]chromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02369	0.5
52.17826	0.3
55.37807	0.3
56.24395	0.2
63.50961	0.3
68.99788	3.8
69.19612	0.3
69.75309	0.9
69.75698	0.7
71.01353	27.6
71.17307	0.3
77.03910	0.7
79.05490	0.9
83.01364	0.4
95.04959	0.7
103.05461	22.5
104.05767	0.3
105.03422	0.6
105.07025	60.7
106.07367	0.8
109.02879	0.4
111.00798	4.6
115.05463	0.7
128.00751	0.5
131.04919	72.4
132.05269	1.2
137.02275	0.4
139.00249	12.5
141.06990	3.2
145.06480	0.4
153.07109	0.4
155.04924	2.8
155.06033	0.4
157.01314	100.0
158.01669	0.8
159.01729	0.4
165.01843	1.4
169.06456	3.1
173.06038	0.9
175.02448	0.5
183.04378	0.6
197.05965	4.0
201.05481	0.9
215.07018	9.3
218.10019	0.3
225.05443	13.4
226.05656	0.4
243.06522	17.8
244.06967	0.4
261.72424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03949	8.5
55.01871	14.4
55.05511	49.8
57.03439	30.9
57.07069	26.3
58.96013	3.2
59.04996	5.8
61.02925	42.6
65.03930	5.0
65.54043	3.5
67.05501	97.8
69.03423	35.6
69.07066	49.1
71.01360	5.3
71.04990	19.2
71.08633	50.6
73.02917	6.8
77.03889	3.5
79.05488	51.0
80.81171	4.5
81.03417	88.2
81.07055	100.0
83.04976	33.9
83.08617	15.0
85.02912	23.2
85.06547	9.0
85.10190	11.2
87.04465	20.4
88.11267	10.3
91.03957	27.8
91.05466	39.5
93.07039	53.0
95.04961	47.0
95.08588	27.6
97.02886	24.1
97.06525	17.1
97.10189	10.3
99.04467	9.5
99.08099	27.2
103.03960	3.4
105.07021	33.9
107.04926	6.3
107.08589	28.9
109.06512	31.9
109.10150	50.7
111.04437	40.7
111.08096	10.2
113.09647	5.2
115.03947	10.9
117.07006	8.3
119.08573	25.1
121.06537	5.9
121.10143	12.0
123.04433	4.6
123.08078	8.5
123.11696	27.9
125.06010	4.1
125.09619	4.4
131.08611	4.3
133.04945	8.1
133.06549	4.1
133.10138	15.2
135.08031	5.1
135.11708	21.6
137.06004	9.1
137.09691	4.9
141.12759	10.6
143.08577	5.1
145.10185	5.4
147.08064	4.5
147.11719	8.2
149.13336	4.7
151.11198	24.4
153.12721	53.9
159.11708	6.8
161.13284	12.1
163.11194	7.2
165.12749	4.1
169.12233	11.9
170.15372	60.8
177.12747	15.6
179.14288	6.4
189.12762	11.8
195.13741	25.0
197.13309	4.4
198.14890	63.9
207.13786	38.8
215.66266	3.1
225.12770	7.7
225.14854	16.2
243.06502	4.7
243.10225	4.1
243.13744	8.9
243.15982	31.6
244.22612	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.159
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
52.53292	3.2
53.03940	5.2
55.01860	14.2
55.05514	38.4
57.03444	30.4
57.07073	18.5
57.25367	4.9
61.02922	12.1
63.26964	3.0
67.05164	4.6
67.05502	79.0
68.99793	5.2
69.03420	27.9
69.03764	4.5
69.07068	100.0
70.15524	9.3
71.01340	5.9
71.04992	10.9
71.08337	2.6
71.08630	30.8
73.02898	8.8
74.95096	3.0
79.05498	40.0
80.42505	3.2
81.03410	75.2
81.07055	78.8
83.04974	28.6
83.08605	6.4
85.02906	18.8
85.06532	6.8
85.10168	16.1
91.05485	19.0
93.07050	30.3
94.59657	3.0
95.04957	32.7
95.08614	41.3
95.14245	2.8
97.02859	11.6
97.06524	14.9
97.10132	5.4
98.22719	3.3
99.04418	3.7
99.08100	23.9
103.03918	5.4
105.07004	26.5
107.04950	10.3
107.08603	18.0
109.06519	16.3
109.10151	27.7
111.04415	13.7
111.08107	6.4
111.11693	8.9
113.09637	20.0
115.03915	9.5
117.05504	3.8
117.07009	6.8
119.08578	15.0
121.06479	3.7
121.10124	11.0
123.04419	4.5
123.08057	5.6
123.11696	22.4
127.11181	4.6
133.04970	9.1
133.10089	11.4
135.11633	15.5
137.05940	3.8
137.13197	6.8
139.00244	21.6
139.11171	7.0
141.06866	4.8
141.12781	7.6
147.11707	11.2
151.07530	5.3
151.11186	14.1
152.48483	3.6
153.12744	21.0
161.13229	6.2
163.11203	6.9
165.12700	17.1
169.06422	4.4
169.12242	10.1
177.12686	6.7
179.14339	8.0
189.12704	10.3
195.13776	24.9
207.13792	28.1
225.05478	13.9
225.14853	14.5
243.06467	6.4
243.15871	40.1
244.22672	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	245.059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
54.90529	0.1
55.01865	0.2
55.05515	0.3
55.50805	0.1
56.05032	0.2
57.98795	0.1
58.88493	0.1
58.99578	2.0
61.54169	0.1
65.03922	0.2
67.05499	0.2
68.05020	1.8
69.03422	0.1
70.06594	0.2
71.68257	0.1
72.94660	0.1
73.01124	0.1
79.05487	0.1
80.05012	20.8
81.05341	0.2
81.05795	0.2
81.07050	0.2
82.02925	0.4
83.04971	0.2
84.04495	1.2
86.00627	0.7
86.09720	0.6
86.99043	0.2
91.05467	1.1
93.07011	0.2
96.04490	2.1
97.01113	0.9
97.10209	0.1
97.62159	0.1
98.00634	0.3
98.99023	0.6
99.02656	0.6
105.07017	0.3
107.04973	0.1
108.04478	3.0
114.03747	17.1
115.04057	0.2
116.01668	1.3
117.07033	0.2
119.04930	0.4
119.08573	0.3
124.02137	0.2
125.00597	0.7
125.09581	0.2
126.85231	0.1
127.01565	0.4
129.07037	0.2
131.08565	0.2
142.03209	100.0
143.03592	1.1
143.08585	0.1
157.06483	0.4
170.02698	21.7
171.03026	0.2
188.03876	0.1
199.05351	4.3
199.13174	0.2
209.06154	0.1
213.03127	0.2
227.04852	2.0
227.17932	0.2
244.22377	0.2
245.05914	4.1
245.08057	0.2
245.13365	0.2
245.15526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13445	0.2
55.05503	0.4
56.96558	0.5
57.60497	0.2
58.99575	2.1
65.03948	0.4
68.05029	1.7
69.38603	1.3
80.05014	19.6
82.02929	0.3
84.04514	1.4
84.08156	0.3
86.00677	0.6
96.04499	1.8
97.01109	0.9
97.02880	0.5
98.00642	0.6
98.99039	0.5
99.02675	0.5
100.07618	1.2
100.11263	0.5
108.04462	3.5
111.04437	0.9
114.03749	16.6
116.01678	1.2
124.02135	0.4
124.07556	0.3
125.00542	0.5
128.00807	0.7
139.03926	1.1
142.03214	100.0
143.03558	1.0
160.02811	0.4
170.02707	21.8
182.90535	0.3
188.03737	0.4
199.05385	3.9
209.10013	0.7
227.04823	1.7
227.11139	0.4
245.06070	4.1
245.12128	1.0
245.15216	0.3
246.18169	0.5
262.72665	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	245.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
57.07061	0.3
60.37775	0.3
66.26707	0.3
68.99785	1.3
69.07050	0.6
70.06587	0.6
72.08115	0.3
79.05445	0.3
80.05020	0.4
81.07039	0.5
84.04517	0.6
84.08109	0.3
86.02965	0.3
86.09704	10.1
87.00842	1.5
88.12148	0.3
90.20004	0.3
91.05466	0.6
95.08540	0.3
105.07010	0.9
112.99981	0.4
114.03748	0.9
115.05453	4.3
117.05753	4.0
118.06553	3.1
119.04863	0.3
123.25647	0.3
128.06216	0.5
129.06990	2.6
130.06517	12.1
131.04907	0.4
131.08516	0.5
132.08081	54.0
133.08421	0.7
139.05473	0.3
140.04944	0.7
142.03215	3.6
142.06509	8.2
143.07280	0.7
143.08409	0.3
144.08095	0.6
147.04422	1.4
149.09706	0.3
154.06508	1.4
156.08066	4.5
157.07607	8.6
157.08578	0.3
158.06212	1.5
158.08395	7.1
158.09691	0.6
159.09164	100.0
160.07564	10.1
160.09497	1.7
163.16995	0.3
166.06474	0.5
167.06053	4.7
170.02675	0.8
170.05995	3.2
171.06818	0.4
171.09193	1.1
172.07602	1.7
181.07613	2.8
182.06023	1.2
183.09171	1.6
184.05946	0.6
184.07568	16.2
185.07089	48.8
186.07408	1.0
186.14867	0.5
193.43542	0.3
198.05455	0.3
199.03824	0.4
199.08685	2.7
200.07063	8.5
200.08905	0.4
201.10213	12.7
209.07117	1.8
227.08139	38.9
228.08527	1.0
245.04347	1.5
245.09230	19.3
245.15312	0.7
245.19620	1.2
246.09518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1319
Annotation	TRIPHENYLMETHANE
Peak:m/z	Relative Intensity
55.05480	0.6
56.04996	0.5
56.96530	0.4
57.03421	0.9
58.06600	4.5
61.02905	1.0
64.83430	0.4
69.07064	4.6
70.06554	1.0
70.12164	0.5
70.12483	1.0
71.99070	2.0
72.08110	0.5
79.05489	3.2
81.07034	2.9
83.06047	0.6
84.04507	0.5
84.08111	0.8
86.06019	0.6
86.09715	3.1
97.06519	8.2
100.02197	6.6
102.03729	0.7
111.05558	6.0
111.08062	3.1
114.09119	0.7
115.03226	0.9
117.04831	32.5
126.12781	1.1
128.00703	0.5
129.03676	0.9
129.09068	1.6
136.11188	0.9
141.04744	1.0
143.06332	1.2
151.12308	0.4
154.12254	0.6
169.07948	8.6
171.05910	0.6
185.11064	8.5
187.08968	1.4
194.08372	0.5
199.11115	0.5
209.12909	0.6
213.10539	100.0
214.10867	2.1
227.13864	2.8
245.13176	85.7
246.13487	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96045	0.7
55.05291	0.9
55.05510	9.0
56.05017	1.6
56.96560	44.1
58.06588	1.5
58.99573	1.0
59.23476	0.8
60.05638	1.2
60.47941	0.6
63.31931	0.7
67.05490	0.9
68.05019	7.8
69.03408	0.9
69.07063	6.6
70.02936	1.3
70.06580	5.0
71.04977	0.8
71.95272	0.9
72.08150	11.0
73.06554	1.0
79.05481	0.9
80.05013	7.3
81.07038	2.5
82.06590	1.1
83.97625	0.9
84.04498	76.9
84.08136	6.1
85.02895	10.0
85.03999	1.3
85.04807	1.0
86.06065	3.6
86.06522	0.7
86.09697	5.3
87.04444	0.9
87.05592	4.7
95.01316	1.0
95.08622	0.8
96.04495	6.2
96.08113	1.3
97.06511	1.2
98.02378	0.9
98.06035	2.9
98.09676	1.3
98.97567	2.0
100.07614	5.7
100.11216	0.8
101.07134	0.9
102.05536	5.2
110.02398	5.4
110.09663	13.8
111.05550	1.8
112.03985	1.0
112.11254	1.1
113.10764	2.7
114.03799	5.7
114.05520	32.7
114.09216	0.8
114.10276	4.0
115.07552	1.2
115.08673	2.0
116.98619	2.3
117.10262	2.6
120.08063	0.8
122.86816	0.7
124.00665	1.2
124.07597	4.8
128.00774	2.6
128.10695	0.8
129.10205	1.2
130.04991	84.4
132.10165	1.1
138.09129	19.0
141.04726	1.3
141.10158	3.8
142.01770	7.4
142.03210	30.5
142.04970	35.7
144.96794	1.0
155.11804	8.3
156.10216	4.1
159.04350	1.1
160.02815	7.6
166.08614	4.3
168.13812	4.8
169.39861	0.7
170.02710	7.4
170.99162	0.9
176.03825	7.1
178.05367	9.7
181.09689	1.9
181.13297	1.7
182.11787	1.9
183.03236	1.9
184.09674	82.0
185.10005	1.5
186.14862	2.1
187.10797	3.1
194.04865	2.5
196.06418	7.2
200.13950	1.1
201.04295	2.1
201.12320	100.0
202.12610	1.4
203.03340	8.4
203.88432	0.8
204.03299	2.3
208.02838	1.7
210.15979	3.8
211.14340	1.0
212.09157	3.5
221.02383	1.2
221.04390	6.1
221.97655	1.2
222.04381	22.6
226.03906	1.0
227.05057	0.9
227.13911	2.8
228.12248	1.1
229.11838	2.7
240.05403	17.3
245.06108	5.0
245.09869	4.7
245.15079	3.8
245.19695	14.7
246.03703	1.1
246.15723	1.6
246.18167	4.3
263.09296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.23201	0.2
52.74193	0.2
56.05048	0.2
57.05808	0.5
58.06588	0.3
69.07063	12.2
70.55210	0.3
70.55540	0.2
74.05770	0.2
86.09698	100.0
87.10020	0.9
132.10214	2.2
142.03244	0.8
199.18086	0.7
202.50323	0.2
213.10538	0.6
245.13255	0.6
245.18581	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	245.186
Annotation	Ile Ile
Peak:m/z	Relative Intensity
69.07067	1.0
69.41795	1.8
73.71537	0.3
86.09699	100.0
87.10024	0.9
88.43128	0.3
93.05098	0.5
105.75999	0.3
132.10199	2.9
140.50291	0.3
142.03203	1.1
144.71194	0.3
170.02687	0.5
199.18079	1.0
212.83942	0.4
213.10585	1.1
245.13232	1.0
245.18576	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	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.99398	0.2
56.05021	0.3
60.08171	0.2
61.83766	0.3
67.19556	0.2
69.03429	0.2
69.07066	1.2
69.81431	0.9
74.17467	0.3
74.92760	0.4
74.93167	6.6
80.05010	0.2
81.03432	0.3
81.07034	0.3
84.04497	0.7
85.02901	1.4
86.09705	100.0
87.10034	0.8
87.40038	0.3
88.85951	0.3
92.82302	0.2
98.23511	0.3
100.07613	0.3
111.08048	0.3
117.04845	1.1
128.60255	0.3
132.10204	4.6
142.03241	1.1
144.98705	0.3
147.04399	0.4
170.02843	0.4
175.11421	0.3
186.92419	0.3
199.12234	1.5
199.18022	3.0
200.79250	0.2
204.93515	1.0
213.10567	2.3
222.94392	0.8
227.11841	2.3
233.59979	0.3
245.04218	1.4
245.06522	0.5
245.08545	0.3
245.13116	4.1
245.18590	4.0
252.02785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1899
Annotation	(-)-Falcarinol
Peak:m/z	Relative Intensity
53.03932	1.9
55.05260	2.3
55.05510	33.0
57.07073	2.3
67.05497	15.6
69.07067	10.7
69.75423	4.9
79.05490	13.2
81.07048	44.6
83.04971	22.2
83.08602	2.4
87.62674	1.6
91.05478	17.1
93.07032	38.6
95.04950	13.5
95.08593	45.6
97.06528	9.6
99.08058	2.2
103.05447	2.0
105.07018	100.0
106.07346	1.5
106.58474	1.3
107.07917	2.6
107.08585	27.7
109.06493	4.8
109.10132	11.4
111.08061	5.4
117.07027	4.1
119.08566	32.1
121.00928	1.4
121.06475	4.4
121.10127	15.2
123.08039	6.1
123.11691	3.7
125.09618	1.8
129.06967	3.6
131.08568	10.3
133.10117	21.4
135.08034	6.7
135.11702	10.3
137.09576	4.1
143.08528	8.5
145.10107	21.2
147.11670	71.8
148.12108	2.3
149.09624	3.1
149.13269	15.1
151.11191	6.2
157.10121	11.8
159.11685	12.0
161.13234	24.4
163.11182	2.9
163.14825	2.7
165.12758	3.5
171.11708	10.2
173.13242	5.1
175.11191	5.3
175.14717	1.9
183.11647	2.0
185.13274	10.3
187.14812	7.6
189.12778	4.2
190.13565	4.3
199.14818	4.4
201.16368	7.1
203.14255	2.2
203.17978	5.4
217.19458	4.7
227.17905	35.8
245.18990	73.5
245.22835	3.6
246.19241	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	245.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99984	1.0
50.41738	1.1
55.05506	5.0
57.07065	5.1
65.03941	1.0
67.05160	2.3
67.05503	29.7
68.99791	6.9
69.07060	11.3
71.08620	2.4
71.57060	1.2
79.05492	24.6
81.07056	31.9
83.08605	4.7
85.10175	1.4
91.05476	30.2
93.07041	29.0
95.04971	1.9
95.08598	29.5
97.10180	1.8
98.23428	2.7
105.03378	9.0
105.07024	22.4
107.07914	0.8
107.08589	19.2
109.10144	8.5
119.04936	3.1
119.08572	20.0
121.02869	2.5
121.10139	25.2
123.11687	4.8
127.00268	2.3
129.03368	6.5
131.04955	5.4
131.08530	1.8
133.10126	29.9
135.11685	11.2
137.13258	2.8
145.01328	4.8
145.10225	1.1
147.11688	18.3
149.13229	8.7
151.14825	2.6
161.13251	28.3
163.14801	12.8
175.14813	16.9
177.16388	2.5
189.16406	6.3
203.17880	3.0
206.66539	1.1
217.04976	3.6
217.19600	1.7
245.04448	28.6
245.22644	100.0
246.22926	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	246.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
53.03936	0.4
57.07066	1.6
57.47014	0.2
58.06584	0.3
59.53506	0.2
60.08473	0.2
65.03925	1.2
67.05500	1.1
68.99786	0.9
70.06579	2.3
71.08616	0.5
76.95679	0.2
78.03442	1.0
80.35243	0.2
81.03405	3.1
81.07047	0.6
83.04956	0.4
88.07623	2.9
93.07084	0.3
94.04154	0.4
95.04967	0.7
95.08591	1.9
96.04484	100.0
97.04831	0.8
100.07621	0.2
102.09161	1.0
103.05476	0.6
105.03386	0.4
105.07018	0.8
106.03697	0.7
106.08673	2.0
108.05746	0.3
109.02869	26.0
110.03667	0.5
111.04445	1.3
113.94586	0.2
121.03957	1.2
123.04418	6.5
123.08031	1.2
129.03265	0.4
130.03680	0.8
131.04872	1.4
132.05264	0.6
136.07542	1.6
151.07532	16.0
152.07886	0.3
184.20471	0.3
202.21626	0.3
218.05222	0.4
228.23308	1.1
246.04727	2.5
246.11267	3.3
246.24274	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	246.1448
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
55.01878	1.9
55.05509	7.0
56.05032	6.3
56.96559	7.7
58.06596	14.0
60.05650	7.3
60.08164	4.3
67.05488	1.6
69.03452	1.9
69.07064	41.4
69.39000	1.4
69.61984	6.0
70.02945	14.9
70.06589	29.7
72.08151	36.0
73.02911	3.1
73.06567	3.4
81.07069	2.5
82.06580	2.1
84.04511	5.5
84.08137	100.0
85.02924	2.2
85.04019	14.1
85.04820	1.8
85.05295	1.9
86.09698	57.0
87.05587	59.5
88.03999	4.9
91.05464	2.2
94.25896	1.3
96.04495	2.9
96.08132	3.8
97.06539	3.0
98.02411	21.1
98.09675	2.0
98.22746	2.0
98.97586	3.6
100.02201	1.8
100.07610	43.4
100.67383	1.3
101.10694	1.6
102.05552	2.1
109.06458	1.5
110.02394	58.1
110.06075	1.6
112.08726	2.7
112.11240	1.8
113.10754	44.3
113.11523	2.7
114.03761	1.8
114.06648	2.4
115.05068	1.9
115.08691	1.4
116.07087	5.8
117.04814	2.6
117.10242	24.3
117.44894	1.3
118.08657	4.0
124.03910	10.8
124.07631	1.8
125.07930	2.3
127.08691	1.5
128.03423	3.9
129.10226	17.0
130.05014	4.9
130.06613	1.5
130.08644	10.9
130.09616	2.4
132.10191	19.0
137.05986	1.3
138.09169	4.5
141.04803	8.5
141.10214	70.1
142.04832	1.4
143.05322	1.9
143.11812	3.7
147.11269	14.6
148.06119	2.3
155.11755	10.8
158.09239	3.9
166.08620	72.2
169.09702	7.0
174.04012	5.4
175.11874	8.4
182.10283	1.6
182.11842	1.6
183.11247	9.8
185.09976	2.8
186.04462	1.4
186.12431	2.2
187.05371	2.7
187.10774	52.0
200.03085	5.5
200.13943	21.4
201.12341	3.2
202.10770	4.8
202.12636	2.4
210.56554	1.5
211.10687	6.9
212.09160	73.5
222.04326	2.0
223.04684	5.0
228.13431	2.5
228.17104	3.2
229.11739	26.7
229.15508	6.3
241.05818	3.2
246.03648	21.1
246.06113	1.9
246.15555	19.4
246.18164	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69335	8.2
57.07069	13.6
67.05540	11.3
69.07042	11.8
69.17261	26.0
69.17685	25.2
74.93919	7.2
81.07088	8.8
88.07606	12.6
88.12543	8.8
91.05447	9.6
95.08633	10.3
106.08650	10.2
109.10144	100.0
124.56594	7.6
127.11199	32.3
130.78500	7.7
133.10161	8.4
144.10172	8.1
155.10689	11.1
173.11682	10.3
179.10654	23.0
197.11705	37.2
211.13353	10.7
246.24290	10.6
247.05952	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	247.004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.8
60.08153	1.7
67.16215	0.4
68.95344	0.4
69.03437	0.5
70.06581	1.3
70.09750	1.1
73.20551	0.4
76.71803	0.4
82.94564	0.9
91.08522	0.4
100.07605	1.7
104.10741	36.6
104.99266	100.0
112.08730	0.9
117.10252	1.0
118.08651	10.7
130.09776	2.3
151.72690	0.4
164.93036	3.3
180.74893	0.4
181.67120	0.3
229.03157	1.9
246.18178	1.5
247.00317	1.5
247.04251	8.2
247.07846	1.6
264.93048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60390	1.2
70.86466	1.7
71.45647	1.2
72.08153	2.2
98.98475	8.7
104.10743	30.6
111.02676	1.5
113.32265	1.2
116.10280	1.1
118.08644	4.0
125.20211	1.3
130.09737	1.4
136.18750	1.1
162.96309	1.1
173.02132	1.8
187.00687	1.3
220.54739	1.3
229.01054	2.0
229.03191	31.6
247.04242	100.0
247.18643	1.6
248.04550	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	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	1.5
60.08160	1.0
62.98247	0.9
69.03423	1.0
70.06592	2.0
70.83043	0.6
70.93095	0.9
100.07608	4.6
101.00874	0.7
101.07965	0.6
104.10736	15.8
104.11377	1.2
104.99271	100.0
117.10242	2.5
118.08658	14.4
119.01916	1.4
130.09770	2.8
157.09425	0.6
161.02933	0.6
164.91820	0.7
164.93124	5.1
167.03136	0.9
191.35127	0.6
219.99525	0.6
229.03189	24.2
246.18079	3.0
247.04240	63.1
247.18356	1.4
248.04588	0.9
264.92880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48854	0.2
65.03930	1.5
67.01871	0.3
68.99783	0.3
69.61160	0.4
69.61543	0.4
70.94424	0.2
91.05473	100.0
92.05815	1.7
104.99282	1.6
105.07021	0.2
121.06499	0.6
145.01338	0.7
185.40102	0.2
205.00806	1.6
247.06027	0.6
247.14601	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	247.06
Annotation	hispidin
Peak:m/z	Relative Intensity
65.03938	0.3
67.01862	26.1
67.05499	0.4
68.99787	1.7
69.03452	0.3
70.06582	0.4
71.43147	0.4
72.66259	0.3
79.05482	0.6
81.07056	0.8
91.05457	0.5
95.04961	0.6
95.08637	0.4
97.02891	0.7
103.05454	0.5
105.07024	0.4
113.00021	1.8
119.04950	1.8
119.08513	0.4
121.02859	33.2
122.03166	0.3
123.08100	0.3
131.04936	3.1
131.08517	0.5
131.63632	0.3
135.04402	0.4
141.06932	0.3
145.02844	13.0
145.06462	0.9
146.03185	0.4
159.08107	0.4
159.11571	0.4
163.03899	11.7
163.07672	0.4
170.02158	0.3
173.06047	1.8
183.04533	0.4
185.05899	0.5
187.03882	7.5
187.11348	0.3
191.06967	0.4
200.98363	0.4
201.05415	1.6
211.03842	2.8
228.54396	0.3
229.04936	3.9
247.05995	100.0
248.06369	2.2
248.16444	0.5
265.07016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Hibiscoquinone B
Peak:m/z	Relative Intensity
51.72811	0.7
52.79699	0.9
53.03955	0.9
53.16141	0.8
54.44596	0.8
55.01857	1.7
67.05500	0.9
68.99808	1.3
69.03425	100.0
69.07048	1.5
70.06585	4.9
70.53597	1.2
70.53918	1.2
71.04974	0.9
72.08150	2.0
79.05443	1.3
81.03425	1.9
83.04975	1.5
84.08076	1.0
85.02884	2.7
86.09698	13.7
91.05460	6.8
93.07033	1.7
95.04943	2.0
98.98429	1.0
103.05463	30.0
104.99264	3.0
105.07014	3.5
107.04922	1.5
109.02873	1.3
109.06544	1.1
111.04395	2.4
112.08725	2.0
115.05440	4.1
117.06995	2.9
119.04907	2.9
120.08099	2.0
121.02792	1.0
121.06502	8.5
123.04398	4.9
128.06198	2.0
129.06990	6.1
131.04916	38.6
131.08545	1.9
133.06491	2.9
134.08151	1.5
135.04457	1.4
137.05974	5.4
141.06987	4.6
143.04895	1.4
143.08530	0.9
144.05612	2.0
145.01318	1.6
145.06477	4.2
145.10112	2.7
147.04398	7.0
149.05971	53.6
151.07513	2.3
153.06931	3.2
155.08533	11.4
157.06517	4.3
158.07268	2.5
159.08025	3.8
161.05968	7.7
163.03894	2.7
163.07559	2.2
165.05486	36.0
165.06955	4.2
166.05791	1.0
168.05730	2.7
169.06480	3.2
171.04417	1.0
171.08041	1.8
173.05966	5.7
173.09589	4.4
174.06737	1.0
175.07536	6.0
177.05492	1.9
177.09050	2.1
177.48462	1.0
179.07025	1.2
181.06546	1.0
183.08052	10.5
185.05968	1.9
186.06764	1.9
187.07552	13.6
189.05450	16.6
189.09044	1.1
190.06252	2.0
191.07019	1.0
191.10645	3.4
199.07674	1.2
201.05586	1.2
201.09077	14.3
203.06985	1.5
205.08571	5.6
211.07530	6.5
214.06218	2.8
215.10161	2.7
219.10144	9.3
229.08583	25.4
233.18124	0.9
247.05864	2.2
247.09637	60.8
247.12750	3.0
247.18338	1.7
248.10060	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	2-Methoxy-4-oxo-6-phenyl-hexa-2,5-dienoic acid methyl ester
Peak:m/z	Relative Intensity
54.30008	0.4
56.69040	0.5
57.07063	1.7
58.06587	0.6
60.98336	0.4
69.59944	1.4
70.06593	3.5
70.65631	0.5
71.06937	0.5
71.08614	0.5
74.92188	0.4
88.07121	0.6
88.07621	4.4
89.07932	0.7
102.09167	1.5
103.05462	18.1
106.08658	2.3
107.08990	0.6
127.66664	0.4
131.04921	100.0
132.05272	1.7
133.75336	0.4
134.20230	0.4
143.03439	2.6
147.08064	0.5
173.05943	2.9
197.05847	0.5
215.07016	38.5
216.07437	0.7
228.23152	1.2
229.23524	0.9
233.08014	0.7
237.57707	0.4
246.24281	17.4
247.24617	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	247.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	1.2
59.04993	2.8
61.01126	5.8
69.03443	0.7
69.79153	1.6
75.02664	1.0
77.00603	43.6
78.98495	0.7
79.02165	3.0
85.67348	0.7
91.02148	1.0
91.05459	1.0
93.03718	2.8
95.01643	100.0
96.99570	2.0
97.02945	0.8
99.00806	2.0
99.02670	5.6
101.04230	2.7
103.02146	0.8
103.05466	1.3
108.98879	0.8
109.03224	6.2
113.02657	2.5
115.02118	1.0
117.03694	7.0
118.03241	1.4
119.01612	3.1
121.03182	11.5
121.06506	1.5
129.06987	1.4
131.05254	9.8
131.08591	1.7
133.03163	12.1
137.06268	0.7
137.19185	0.7
143.05255	1.7
145.01262	1.2
145.06784	8.6
145.10156	0.9
147.04729	7.5
149.06310	0.9
157.06522	2.1
159.11743	1.0
175.07858	27.5
176.29268	0.7
179.03726	1.1
184.04681	0.7
187.07552	0.8
195.54721	0.7
203.07353	4.1
204.78789	0.7
229.05002	1.7
229.08611	1.0
247.05966	1.4
247.09828	2.2
247.13214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1289
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
52.99728	1.0
55.01874	2.8
55.05506	1.3
56.05031	3.6
56.96541	1.2
58.92947	0.9
61.01132	2.1
67.01874	0.9
69.03410	1.2
69.07070	9.8
70.02949	6.5
70.06601	5.1
71.41855	1.2
72.08157	4.8
73.02918	2.2
74.02428	2.1
79.05535	0.9
81.03430	1.6
84.08131	3.4
85.02889	1.0
85.04025	4.0
85.08477	2.1
85.80169	0.9
86.09705	100.0
87.10057	1.8
88.03990	53.5
96.08134	1.2
98.02423	3.3
98.98468	3.8
99.00810	1.0
100.03999	1.5
100.07587	2.1
103.05468	1.0
104.05309	4.7
104.99285	2.6
110.02409	13.0
113.10751	10.1
116.07073	9.0
117.07020	2.1
121.02854	2.3
124.03970	2.3
129.10233	0.9
132.10201	56.8
133.10553	1.0
138.09152	2.6
141.10223	25.1
145.06474	1.1
147.04506	1.1
155.11797	1.6
156.10164	5.9
166.08629	17.9
173.02097	0.8
183.11278	7.5
184.09740	3.5
186.96808	1.4
187.03992	1.2
187.10762	13.9
187.14777	1.1
201.05435	1.4
201.12343	46.9
202.12724	1.1
211.10860	1.2
212.09172	16.4
229.04977	5.6
229.11890	5.4
247.03912	2.4
247.06046	18.0
247.10683	1.9
247.13097	8.9
247.15450	1.5
247.18478	2.6
247.20779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10329	0.8
53.03941	0.8
54.31301	0.8
54.60373	0.7
55.01868	1.7
55.05497	2.5
57.03422	1.1
65.03951	1.2
67.05496	7.1
69.03424	2.8
69.07062	1.8
69.10030	1.7
69.10445	3.6
79.05486	6.3
81.03386	1.3
81.07040	2.3
83.04986	1.0
91.05476	23.7
93.07030	5.5
95.04948	3.3
95.08609	4.1
98.22723	1.9
105.04530	0.8
105.07021	15.6
107.04965	1.8
107.08595	6.7
109.06496	1.8
115.05453	2.5
117.07008	8.4
119.04897	1.7
119.08570	15.4
121.06502	2.4
121.10154	1.5
128.06183	4.3
129.07001	7.7
130.07794	2.2
131.04898	1.1
131.08560	13.2
133.06471	2.4
133.10144	6.8
135.08041	6.1
141.06979	5.6
142.07777	9.8
143.08554	9.2
144.09311	1.7
145.06448	3.3
145.10120	11.4
147.08046	3.1
147.11653	2.2
149.06032	0.9
149.09610	1.6
153.06944	3.6
154.07738	2.0
155.05907	1.2
155.08556	7.7
156.09279	4.0
157.08867	1.1
157.10126	15.3
158.07251	1.0
158.10901	3.5
159.08054	4.4
159.11688	5.4
161.09631	10.8
165.06979	1.0
167.08545	2.7
168.09348	5.3
169.10081	2.2
171.11658	5.8
172.08817	1.1
173.09663	4.1
173.13246	11.4
175.07629	0.9
175.11142	2.6
177.09145	1.2
178.07870	1.1
179.08556	2.1
181.10101	2.0
183.11682	7.8
185.09628	1.1
186.10365	0.9
187.11180	2.8
189.06966	2.1
189.08891	1.3
190.07745	2.5
191.08539	6.8
191.10352	1.2
192.09360	4.2
193.10106	2.2
199.11220	1.6
201.12761	8.8
202.07692	5.9
203.08557	11.5
203.10532	1.6
204.09328	6.7
205.08510	3.2
205.10126	13.9
206.10805	4.3
211.11212	1.2
215.08569	1.2
216.09367	1.3
217.10118	44.0
217.12029	1.8
218.10860	10.0
219.11647	13.1
219.13766	3.5
220.12227	0.9
229.10100	1.4
229.12170	5.5
230.10910	2.3
231.11690	7.6
232.08826	1.7
232.12453	41.6
233.12735	1.0
245.13184	1.4
247.12762	9.6
247.15092	100.0
248.15096	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	247.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01871	1.2
55.05497	1.9
55.64729	0.7
56.75145	0.7
57.07065	0.7
65.03916	0.8
67.05502	5.9
69.03423	2.7
69.07059	1.7
79.05495	4.8
81.03412	1.4
81.07062	4.1
83.04970	2.0
91.05477	12.7
93.07033	5.2
95.04964	4.4
95.08597	5.8
101.95628	0.6
103.05474	1.9
105.07024	14.6
107.04962	1.7
107.08576	5.4
109.06510	3.2
115.05455	2.4
116.06284	0.9
117.07021	8.6
119.04931	1.3
119.08562	13.0
121.06487	2.9
121.10161	2.2
123.08055	1.1
127.52500	0.7
128.06201	4.2
129.06993	6.2
130.07774	2.1
131.04947	0.8
131.07542	0.8
131.08554	17.2
133.06511	2.3
133.10110	6.3
135.08080	5.0
141.06963	4.9
142.07784	8.1
143.08563	10.3
144.09320	1.5
145.06477	3.2
145.10126	12.0
146.07249	0.8
147.04451	0.9
147.08044	2.0
147.11656	2.0
149.05956	1.3
149.09637	2.1
153.07002	3.4
154.07707	1.0
155.08548	6.2
156.09317	5.3
157.10115	12.7
158.10905	3.2
159.08067	6.1
159.11708	6.4
160.08768	0.8
161.09618	7.8
161.13324	1.1
163.07455	0.8
163.11107	1.1
165.07091	1.2
167.08516	1.3
168.09357	6.6
169.10110	2.6
171.08057	1.6
171.11690	5.3
172.08881	1.3
173.09619	3.8
173.13255	12.3
175.11208	2.3
178.07851	1.5
179.08551	1.9
181.10107	2.2
183.11674	7.8
185.09587	1.2
187.07599	0.8
187.11111	3.2
189.06970	1.6
189.09198	1.0
189.12750	0.9
190.07755	2.6
191.08537	6.8
191.10306	1.0
192.09331	2.5
193.10077	3.5
196.08812	0.7
199.11201	1.9
201.12737	10.2
202.07713	6.7
203.08556	13.5
203.10440	1.4
204.09305	5.6
205.08501	2.8
205.10141	12.3
205.12115	1.3
206.10861	4.5
207.11591	0.8
211.11261	1.8
215.08527	1.2
216.09294	1.7
217.10118	43.0
217.11943	1.6
218.10881	10.0
219.09750	1.0
219.11681	12.5
219.13841	3.7
229.10112	1.2
229.12198	5.9
230.10976	1.3
231.11664	7.5
232.08910	1.6
232.12454	39.9
233.12558	0.9
245.13400	1.3
246.10643	0.7
247.12769	8.1
247.15094	100.0
248.15140	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	247.1328
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03945	2.3
55.05510	73.4
66.13846	0.9
71.43368	1.0
81.03441	0.9
83.04978	100.0
84.05309	0.9
91.05473	3.6
101.05970	1.1
103.05486	1.7
104.99268	2.8
105.07036	1.2
117.07036	1.5
119.08577	13.6
121.02785	1.0
121.06505	1.9
131.04926	7.9
145.01344	2.1
147.08041	30.6
201.05553	1.2
229.05005	1.2
233.04420	1.8
246.24199	2.3
247.05937	3.2
247.24680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.05510	76.4
56.05859	0.6
57.07072	0.7
67.05507	0.5
71.42661	0.3
74.46773	0.3
79.05482	0.5
81.07049	0.7
82.68105	0.3
83.04977	100.0
83.08630	0.4
84.05309	1.3
86.44737	0.3
88.12601	0.3
88.57359	0.3
91.05473	3.6
93.07045	1.2
95.08617	0.7
96.19645	0.3
101.06018	0.8
103.05434	0.4
104.99269	2.3
105.07026	0.6
107.04921	0.6
107.08579	0.5
109.10059	0.3
117.07027	1.6
119.08576	15.3
121.02834	0.4
121.06489	1.4
121.10107	0.4
127.00348	0.4
129.06985	1.2
131.08537	0.5
132.05679	1.2
133.10071	0.5
140.28142	0.4
145.01338	1.7
145.10060	0.4
147.08040	27.8
148.08397	0.5
159.11736	0.5
159.81563	0.3
173.13260	0.4
203.87732	0.4
229.12260	0.4
229.19504	0.3
246.24208	0.6
247.05959	1.1
247.11055	0.4
247.20488	1.4
247.24631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03932	5.2
54.07192	1.9
55.01871	2.5
55.05492	5.6
57.03424	1.8
57.07058	2.4
65.03929	5.0
67.05473	5.8
69.03417	22.3
69.91989	3.0
69.92326	2.8
71.04981	2.0
76.97470	1.7
79.05486	8.2
81.07063	9.8
83.04971	21.5
89.91079	1.7
91.05482	16.4
93.03363	4.6
93.07056	12.7
95.04951	5.5
95.08590	6.2
97.02885	8.0
97.06516	3.5
105.07011	15.8
107.04984	3.8
107.08578	13.7
109.02867	16.2
109.06509	11.9
109.10184	2.6
111.04416	6.6
111.08028	2.4
115.05460	3.3
117.07011	12.2
119.08565	19.1
121.02862	5.9
121.06500	21.0
121.10110	6.4
123.08081	9.5
126.98038	1.9
128.06189	2.6
129.06995	6.7
131.08559	18.5
133.06439	2.8
133.10103	10.5
135.04459	2.3
135.08041	34.3
137.05959	3.9
137.09601	5.4
139.03925	2.8
141.06914	2.3
142.07741	3.6
143.08527	10.9
144.09306	9.5
145.06453	14.1
145.10089	11.6
147.04431	4.5
147.08060	6.0
149.05998	2.5
149.09604	27.8
150.10379	4.5
151.07498	2.2
151.11147	4.1
153.06934	3.0
153.09065	2.6
155.08586	5.9
157.10088	5.0
158.07240	3.4
158.10887	11.5
159.08034	15.3
159.11679	26.7
160.08803	3.8
161.09537	4.0
163.07526	21.6
163.11148	2.8
167.08580	2.2
168.09348	6.4
169.10097	4.3
171.08035	8.8
172.08813	16.2
173.09590	30.9
173.13228	36.8
175.07437	2.0
183.11697	11.1
185.09651	2.9
186.10400	21.5
187.07512	4.5
187.11166	100.0
189.09056	2.9
191.07018	45.2
196.08810	5.0
199.07513	2.4
201.12703	59.1
205.12216	5.2
211.11174	11.6
214.09920	4.1
219.13779	6.9
229.12216	74.7
247.06013	7.7
247.13260	90.1
248.10175	2.9
265.07181	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03934	2.3
54.24956	0.7
55.05506	62.9
55.40322	0.6
67.39062	0.6
68.77513	0.8
74.35452	0.7
82.71672	0.7
83.04972	100.0
84.05322	0.8
91.05472	4.8
98.23470	2.0
99.63564	0.7
101.06024	0.7
103.05449	1.0
104.99265	6.4
105.07003	1.3
107.04953	1.4
110.64209	0.7
114.52484	0.6
117.07014	2.8
119.08566	16.0
121.06479	2.1
127.00261	1.2
129.06993	1.0
131.04910	5.0
132.05696	2.3
145.01324	2.9
147.08031	38.0
160.31287	0.6
170.93799	0.7
201.05566	0.9
247.05956	3.8
247.13316	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83899	1.2
56.05051	1.3
60.08163	70.5
65.64391	1.1
67.01842	1.4
68.99802	1.3
71.01344	1.8
71.42208	1.2
72.08159	8.9
74.93157	5.0
76.25439	1.4
76.92847	4.9
85.02890	2.3
86.09691	4.5
86.76009	1.3
96.75941	1.3
98.98440	1.8
100.07617	2.3
104.99269	2.1
111.10535	1.4
115.05482	1.7
117.07014	3.7
118.06540	40.3
120.08112	17.7
121.02865	3.1
121.03981	3.2
121.06499	4.0
127.00248	2.2
135.04448	1.4
137.05963	2.3
142.06509	4.4
143.07289	4.7
144.08087	19.0
145.01311	7.0
146.06003	86.3
147.06277	2.1
153.01793	2.2
156.08087	2.9
160.07573	1.8
163.03891	3.2
166.04996	1.8
170.05992	7.7
186.14900	2.1
188.07060	100.0
206.93184	1.9
219.14967	1.5
247.05986	9.9
247.10300	1.9
247.14514	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	247.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.6
60.08161	3.7
68.93775	0.4
72.08143	0.6
76.90518	0.4
79.00101	0.3
96.85675	0.5
104.10736	100.0
105.11073	1.0
135.98332	0.3
163.59036	0.4
185.56949	0.4
202.84944	0.4
206.61559	0.4
206.79341	0.4
229.03259	0.9
247.04214	3.9
247.07979	0.5
247.20207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03939	2.2
54.03601	1.1
55.01863	3.5
55.05514	16.1
57.03440	2.1
57.07069	3.7
60.18446	1.2
65.03925	1.4
67.05502	34.8
67.62046	1.0
69.03423	1.5
69.07065	14.2
71.01795	1.2
71.04985	2.0
79.05488	32.9
81.03413	1.9
81.07053	46.2
83.04972	4.0
83.08627	4.3
85.06570	1.3
91.05478	17.6
93.07044	42.2
95.04978	8.2
95.08601	28.3
97.06526	8.2
97.10159	3.0
99.08099	2.4
105.04478	1.3
105.07037	19.0
107.04935	3.8
107.08585	23.2
109.06519	10.8
109.10150	16.7
109.26052	0.9
117.07035	6.0
119.08580	15.7
121.02843	1.7
121.06541	6.3
121.10146	27.7
123.08052	5.8
123.11716	6.9
125.09632	3.0
131.08568	11.4
131.67024	1.0
133.10114	11.0
135.08017	5.1
135.11682	14.5
137.09601	10.9
137.13234	1.8
139.11189	2.3
143.08569	1.4
145.01270	3.3
145.10143	11.7
147.11671	10.3
149.09625	6.2
149.13283	7.6
151.11180	14.3
159.11725	11.3
161.13281	5.4
163.11226	7.7
163.14819	3.6
165.12721	7.5
173.13252	8.5
175.14774	2.3
177.12752	3.6
179.14200	1.4
187.14799	6.2
189.16435	1.6
191.14294	2.8
201.16371	2.9
203.17928	1.7
205.15857	2.5
229.19493	33.7
247.06012	2.3
247.20576	100.0
248.20868	3.2
265.12540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64037	0.5
54.27533	0.6
55.05499	1.6
58.06588	0.6
61.01116	0.6
69.61117	2.2
69.61449	0.5
72.08147	8.6
73.08483	1.1
77.00894	0.8
82.99421	0.5
82.99870	2.0
84.08133	2.3
86.09689	0.6
91.05474	1.0
93.07029	2.2
95.04995	0.6
100.02494	3.5
101.00874	25.3
102.00990	0.6
103.05460	14.8
104.05270	0.9
111.18162	0.6
118.03510	27.4
118.06593	0.6
119.01912	100.0
120.02014	2.3
120.08095	67.2
121.08412	1.4
130.03487	1.4
130.06517	2.0
130.08597	0.7
131.04890	5.2
136.04546	5.8
137.02950	30.8
141.04967	0.7
142.03459	1.6
150.05702	1.0
156.01390	0.8
158.44826	0.6
160.06068	5.0
174.02451	1.7
178.07108	3.0
179.05495	1.3
187.10831	0.6
188.05537	0.6
202.07137	16.6
203.05508	5.3
203.07230	0.8
206.06613	5.3
220.08160	4.4
221.06569	23.0
221.08693	1.4
222.06711	1.0
223.43513	0.6
224.07637	1.9
230.06650	3.0
231.05049	2.0
238.09309	0.9
239.07646	5.2
242.08719	0.7
248.07674	40.2
248.16365	0.7
249.05992	12.2
250.06250	0.7
264.92172	0.6
266.08722	33.4
267.07080	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	248.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	2.5
56.96558	37.4
70.06580	2.0
70.55276	2.0
70.55613	3.0
72.08144	2.1
74.06068	2.0
84.08131	10.9
86.09704	15.8
87.10013	3.5
98.97574	100.0
99.13006	1.8
99.75221	1.4
99.97910	1.9
104.10732	4.0
116.00201	2.2
116.98612	60.4
125.31017	1.5
126.02238	1.9
129.10222	1.9
134.01259	2.2
134.98688	2.7
134.99638	26.2
140.03772	3.2
141.98643	1.7
142.01665	3.0
142.05391	3.5
153.00700	2.6
153.02357	1.4
158.04895	3.4
160.06444	6.4
171.03252	2.2
188.05876	4.2
189.04318	12.5
206.06969	9.4
207.05406	5.0
224.02493	5.3
224.08031	10.3
230.06978	32.9
231.05357	2.5
232.19022	1.6
248.04372	8.2
248.08040	70.9
248.16104	1.9
266.09030	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	248.1506
Annotation	Peramine
Peak:m/z	Relative Intensity
55.05522	0.5
56.02654	0.3
69.03432	0.9
69.46693	0.7
69.47057	1.4
71.04987	49.9
73.27280	0.3
79.05489	1.8
81.03394	0.4
81.07047	6.5
85.02878	0.8
105.43805	0.3
113.09635	11.5
119.03556	0.5
129.51259	0.3
135.06654	0.6
136.06175	9.7
137.04628	0.4
140.56718	0.4
146.04614	4.7
148.06172	1.6
150.07732	0.4
155.84383	0.4
162.07748	1.0
173.06967	0.8
174.07735	1.8
175.08418	0.5
178.07257	0.6
186.07726	0.6
188.31311	0.4
199.09798	1.1
213.15636	0.3
216.12422	86.4
217.12738	1.3
231.53471	0.3
248.15039	100.0
249.15276	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03731	0.9
53.03943	8.8
55.01869	10.9
57.03434	10.1
58.06593	0.7
59.04991	1.0
61.02922	6.1
62.46993	0.6
68.99792	4.7
69.03423	78.6
70.44461	0.8
71.01341	1.8
71.04992	7.9
73.02913	7.4
80.51376	0.7
81.03410	42.8
81.07025	1.2
82.03743	0.7
83.01318	1.3
85.02897	100.0
86.03264	1.1
87.00822	44.4
87.04455	1.8
88.07642	1.1
91.05493	1.2
93.07060	0.9
94.96259	1.0
95.04959	2.0
97.02882	52.0
98.03210	0.8
98.98462	2.5
99.04448	26.7
101.02383	3.1
105.01862	18.1
105.07034	1.3
107.04942	1.0
107.08562	1.2
108.04472	0.9
109.00522	1.0
109.02863	24.4
109.04812	1.7
110.03223	0.9
111.00787	0.7
115.03933	2.6
117.01865	1.4
119.08586	1.0
127.03905	59.5
129.01837	2.6
133.10147	1.2
139.01570	0.8
145.04947	12.3
147.02911	1.2
159.02852	4.7
160.19748	0.9
171.02908	1.5
189.03970	1.7
189.09155	1.9
200.20107	1.1
213.03947	1.9
231.04976	4.2
231.13744	0.9
248.22212	4.3
249.14867	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01861	4.4
57.03440	7.9
59.04984	1.7
61.02923	6.8
68.99769	2.5
69.03426	93.8
71.01340	3.6
71.04996	6.9
71.82596	1.3
73.02927	3.0
77.30017	1.6
81.03409	28.4
81.05350	1.5
83.01328	2.6
85.02900	100.0
87.00826	30.1
87.04467	2.5
91.05450	2.1
93.07031	1.4
97.02254	2.9
97.02886	56.6
99.04452	23.4
99.06436	1.4
101.02364	2.5
105.01865	10.1
105.07008	2.0
108.04469	2.7
109.02870	14.8
109.04781	4.5
126.05537	2.8
127.03909	77.6
127.05827	3.2
128.04254	2.0
131.08601	1.8
145.04956	17.6
161.09538	1.5
189.09096	1.7
203.14194	1.8
231.04973	3.8
249.08908	2.0
249.11220	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	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01861	4.4
57.03440	7.9
59.04984	1.7
61.02923	6.8
68.99769	2.5
69.03426	93.8
71.01340	3.6
71.04996	6.9
71.82596	1.3
73.02927	3.0
77.30017	1.6
81.03409	28.4
81.05350	1.5
83.01328	2.6
85.02900	100.0
87.00826	30.1
87.04467	2.5
91.05450	2.1
93.07031	1.4
97.02254	2.9
97.02886	56.6
99.04452	23.4
99.06436	1.4
101.02364	2.5
105.01865	10.1
105.07008	2.0
108.04469	2.7
109.02870	14.8
109.04781	4.5
126.05537	2.8
127.03909	77.6
127.05827	3.2
128.04254	2.0
131.08601	1.8
145.04956	17.6
161.09538	1.5
189.09096	1.7
203.14194	1.8
231.04973	3.8
249.08908	2.0
249.11220	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	249.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	1.3
69.03416	1.8
70.77969	1.0
71.43421	1.2
79.05492	1.0
81.03435	2.1
83.25433	0.9
85.02902	2.2
91.05489	5.8
93.07041	1.3
95.04971	1.4
97.02157	0.9
97.02882	1.1
107.04982	0.9
119.04945	16.3
121.06517	2.8
125.98605	1.0
129.01840	4.9
147.04395	100.0
148.04785	1.7
161.06076	1.0
189.05446	3.7
231.06519	19.7
249.14600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
58.73411	0.9
59.04984	1.2
65.85518	0.9
67.05482	1.9
68.21185	0.9
69.03404	1.7
73.78011	1.0
79.05478	1.9
81.07035	1.5
87.06755	1.0
88.55759	0.8
91.05473	7.7
92.71440	1.0
93.07005	1.6
94.81673	0.9
95.04991	1.6
95.08625	0.9
103.05471	1.7
105.07011	4.1
107.04924	4.3
107.08564	1.0
107.19490	0.9
115.05437	3.5
116.06217	3.4
117.06976	3.5
120.50439	0.9
121.06489	1.3
121.10101	1.0
128.06204	8.9
129.06999	19.2
130.07764	1.4
130.95152	0.9
131.04916	1.0
131.08543	15.7
132.05708	1.2
133.06471	3.5
133.10094	2.1
141.06995	8.5
142.07716	4.8
143.08539	3.5
144.05692	8.4
145.06464	6.2
145.09999	1.3
146.07227	2.7
147.04433	1.2
147.07996	1.5
153.06955	2.4
155.06026	1.5
156.05670	2.5
157.06482	8.6
158.07228	2.0
159.08041	27.3
161.05934	4.6
161.09605	8.0
169.06393	2.1
169.07616	4.4
170.07292	7.6
171.08035	6.5
172.05128	3.5
173.05933	2.9
174.06737	2.8
175.07535	4.0
178.06259	1.5
186.06769	1.3
187.07512	17.8
188.08160	1.7
189.05432	2.5
189.09076	9.5
190.06259	1.5
193.08607	2.7
198.06731	2.1
199.07471	2.2
201.05359	2.0
203.07098	5.3
204.07794	12.9
205.08574	1.1
216.07832	2.8
217.08607	1.8
219.09991	1.2
221.11665	3.2
231.10165	7.9
249.11185	100.0
250.11507	2.1
250.17705	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	249.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01871	2.8
55.02990	0.8
55.05502	2.5
57.03437	2.6
58.80280	0.5
59.04990	2.2
60.05632	1.9
61.01128	0.4
61.02916	1.1
67.05495	1.7
68.99774	1.2
69.03060	0.8
69.03426	15.4
71.01355	0.5
71.04998	2.3
71.40420	0.6
72.08150	33.7
73.02913	2.8
73.04038	0.9
79.05476	1.1
81.03416	8.2
81.07050	2.5
85.02901	20.1
87.00824	10.4
87.04450	1.5
91.05472	31.9
97.02885	10.1
97.07658	4.1
98.06049	1.3
99.04449	6.5
101.02362	0.7
103.05450	0.6
105.01848	3.8
105.07037	0.6
107.08635	0.6
108.04476	0.5
109.02881	5.5
109.10143	0.7
110.03546	0.6
111.04442	0.6
114.10284	16.5
115.08682	6.6
117.01814	0.7
119.17052	0.5
120.08093	13.7
127.03907	11.2
128.04575	0.8
131.12862	0.5
134.82909	0.5
135.03009	1.9
136.06239	0.7
136.07565	3.1
138.66563	0.5
145.04965	3.1
147.04379	0.9
148.07573	3.4
152.05666	22.3
153.04080	3.8
159.02951	2.2
161.09616	1.3
189.13860	30.5
190.12253	63.0
191.12617	1.3
207.14987	2.5
213.04028	0.6
215.11844	0.6
231.04984	1.2
231.10373	0.5
231.16086	0.4
232.14436	28.9
233.14804	0.8
248.10320	1.0
249.11449	2.0
249.17085	100.0
250.12935	5.9
250.17213	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	250.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
59.04987	1.2
69.03416	0.4
69.10547	2.6
71.60128	0.3
79.05471	1.5
81.07034	0.7
86.92644	0.4
91.05482	2.0
92.02595	0.4
95.04958	2.1
98.98458	13.2
98.99099	0.7
104.06260	0.4
105.04511	0.6
105.07029	4.1
107.04932	2.9
109.06499	1.0
110.03671	1.7
115.05457	1.8
117.07021	0.4
121.06538	0.7
122.07245	0.9
123.04401	0.8
123.08028	0.3
124.05215	2.0
125.05983	14.2
132.05675	1.3
133.06467	7.0
135.04419	0.8
135.05498	1.0
135.08029	1.0
137.05965	28.3
137.09560	2.3
144.05658	0.5
147.08028	5.3
149.06010	0.5
150.06781	2.4
151.07559	0.7
160.05167	2.3
161.04706	0.6
161.05975	5.4
162.06740	1.1
163.03899	0.6
163.07532	0.4
165.09099	32.4
166.09460	0.6
175.07535	4.9
178.06218	2.7
193.08585	100.0
194.08884	2.2
195.85622	0.3
195.87418	0.3
250.10764	1.2
250.17996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.3
55.01863	2.1
56.62077	0.3
69.33229	0.6
69.33643	1.1
77.03920	0.8
79.05487	6.0
91.05473	2.0
95.04964	0.9
98.98474	2.9
103.05461	3.1
105.03398	0.4
105.07022	39.8
106.07388	0.8
110.03664	0.4
115.05434	3.7
115.62739	0.3
125.05982	0.8
133.06479	65.0
133.28535	0.3
134.06808	0.9
137.05962	4.7
137.09622	0.4
143.04895	1.4
150.06633	0.3
161.05960	100.0
162.06323	1.6
163.03899	0.7
165.09103	17.2
166.09406	0.4
178.06224	2.9
193.08583	82.2
193.31242	0.3
194.08867	1.8
203.62218	0.3
250.10683	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	250.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01870	2.9
55.56177	0.4
59.04991	2.8
69.07072	1.2
77.03929	0.9
79.05489	6.0
91.05470	4.1
93.07034	0.5
95.04965	1.2
95.08564	0.6
97.02893	1.2
97.06521	4.6
98.97939	0.3
98.98457	21.9
103.05449	3.7
105.07020	40.8
106.07382	0.7
109.06525	0.6
115.05441	3.9
119.04955	1.6
125.06011	0.7
132.05760	0.4
133.06476	62.7
134.06799	1.2
136.06204	0.8
137.05962	11.8
143.04929	1.6
149.05939	0.4
161.05960	100.0
162.06427	2.1
163.03860	1.0
165.09097	15.2
166.09482	0.6
175.70638	0.4
178.06206	2.1
190.12105	0.4
193.08582	80.8
194.08937	1.9
233.11700	5.1
250.10855	4.8
250.13188	0.6
250.14406	0.4
250.18011	1.3
251.18715	0.8
257.14249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05860	0.3
55.05512	0.3
56.19251	0.3
59.05016	0.4
67.05503	0.4
68.70853	0.2
69.03438	0.4
69.07059	3.8
70.44350	0.3
72.86198	0.3
73.06557	0.6
79.05478	1.0
81.07046	1.2
94.04050	0.6
97.02930	0.3
97.06531	2.8
98.98460	13.5
108.34812	0.3
109.05094	0.3
110.03520	0.8
119.03545	1.8
128.04510	0.4
135.02994	1.5
136.06175	100.0
137.04597	1.3
137.06586	0.6
145.45303	0.3
152.05663	20.8
153.04065	2.2
153.65930	0.3
174.07727	1.4
176.86063	0.3
191.87064	0.3
250.12968	92.7
251.13237	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.0
56.96278	0.6
57.07080	7.7
58.99585	3.0
61.01143	0.8
62.66983	0.6
62.99075	22.4
64.51836	0.7
64.77354	0.6
67.05495	5.7
69.07066	100.0
69.25868	2.9
70.07383	1.3
73.01134	1.7
74.00655	3.6
75.10184	0.7
77.00632	1.6
83.08622	3.3
86.99052	1.1
87.02692	14.0
88.02222	7.4
88.03991	9.3
89.04227	0.7
93.07043	0.7
98.22632	0.9
98.98462	32.8
101.04237	1.6
105.00062	1.3
105.03713	0.9
109.10166	2.3
111.11715	20.7
116.99506	0.8
120.01157	4.6
121.06528	0.9
122.02741	0.9
128.14401	0.7
134.02681	0.8
143.08905	5.0
145.10451	1.2
161.09955	93.4
162.10297	1.1
174.99251	0.7
186.13185	1.5
215.11009	6.8
232.13646	6.7
233.12056	25.6
250.14795	2.2
269.51782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
55.01859	0.3
64.77016	0.2
66.01079	0.3
67.01863	32.3
68.02196	0.2
68.99788	0.3
69.88103	0.6
77.01573	0.2
79.01852	1.5
94.00539	1.2
95.01325	5.8
98.98464	19.2
107.01308	3.2
113.56960	0.2
116.99467	0.3
135.00774	14.6
136.01149	0.2
163.00238	0.9
174.99208	0.5
181.01312	13.7
190.99742	34.0
192.00075	0.7
194.72603	0.2
209.00801	100.0
210.01125	2.0
211.01282	0.2
223.02327	2.7
227.01857	30.6
228.02129	0.5
237.00285	10.2
238.00632	0.3
241.03407	11.9
242.03709	0.3
251.01848	6.8
251.07166	0.3
251.10474	0.3
255.01329	4.5
269.02914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0306
Annotation	Diazodiphenoquinone
Peak:m/z	Relative Intensity
51.80718	0.8
66.85369	0.8
69.94888	0.8
84.08144	1.1
87.04449	1.1
94.93016	12.3
96.92819	13.2
98.98460	100.0
102.63206	0.7
104.05338	1.3
116.99479	3.2
118.94081	3.1
120.90436	0.8
136.94025	1.3
151.20192	0.8
152.91721	1.5
165.10196	1.1
168.73074	0.9
174.99213	4.2
176.93497	23.0
188.93637	0.9
190.99799	5.2
199.63994	0.8
208.88405	3.6
209.00864	8.6
219.80560	0.8
250.80728	3.0
250.89436	2.8
251.03052	55.8
251.13835	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	251.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
62.35278	0.2
65.03946	1.2
69.10735	0.6
69.11157	1.0
73.83138	0.2
75.02382	0.3
77.03937	0.3
89.03929	1.3
93.03391	0.5
95.04940	0.5
98.22714	0.5
98.98466	11.2
103.01819	0.4
103.05463	4.3
105.03394	1.5
111.04489	0.3
115.05456	0.3
116.99516	0.2
117.03383	0.4
121.02864	8.6
121.03787	0.3
131.04929	5.5
141.06989	0.5
145.02869	3.8
149.02342	3.3
151.05452	0.7
152.06204	11.7
153.07022	1.9
155.04919	0.4
157.27490	0.2
165.05862	0.2
165.06987	12.7
166.07774	3.9
167.08562	31.2
168.08926	0.8
169.06494	2.0
173.02304	1.4
174.99229	0.3
176.04964	0.2
176.06198	12.4
177.06984	26.7
178.07761	12.0
178.09006	0.1
179.06085	0.5
179.08533	3.9
181.06468	10.3
182.06786	0.3
189.07011	0.7
193.06497	0.5
194.07259	5.4
195.08043	66.9
196.08374	2.2
203.87398	0.2
205.06433	34.1
206.06956	1.4
207.08060	2.9
208.05243	0.3
209.05969	6.1
221.05972	1.0
222.06738	0.5
223.07526	62.4
224.07895	1.9
233.05965	8.9
234.06680	0.7
236.04675	0.3
249.05618	0.4
250.06198	0.9
251.07016	100.0
252.07355	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	251.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09979	0.7
53.03939	0.8
55.01876	0.8
55.05496	2.3
65.03925	1.0
67.05498	6.8
69.03439	1.9
69.07057	3.1
69.82137	2.7
71.04977	2.5
79.05486	11.8
81.03413	0.8
81.07047	13.1
83.04990	4.1
85.06532	1.1
86.35295	0.7
90.16096	0.7
91.05476	8.3
93.07040	11.1
95.04958	6.3
95.08596	5.7
97.06525	3.0
97.18022	0.6
98.22752	0.9
98.98461	100.0
99.04457	2.6
105.07025	13.1
107.04939	8.5
107.08598	6.9
109.06504	6.9
109.10149	1.9
111.04429	0.8
116.99487	1.5
117.03396	1.5
117.07004	5.3
119.04929	2.2
119.08578	4.4
121.06505	8.3
121.10136	3.0
123.04403	1.2
123.11729	1.4
125.05985	3.0
128.41512	0.7
129.06992	1.8
130.07755	2.1
131.08546	4.6
131.22578	0.7
133.06526	1.9
133.10135	2.0
135.08043	2.8
135.11690	2.5
137.05997	6.3
139.07530	1.7
143.08536	1.8
144.09357	2.7
145.02855	2.2
145.06439	2.0
145.10110	27.3
147.08064	1.3
147.11684	2.5
148.08861	1.8
149.09543	1.0
151.07568	0.8
158.07256	1.8
159.08083	1.3
159.11673	8.5
163.11176	50.1
164.11429	0.8
169.10104	1.7
171.11650	0.9
172.08907	1.1
173.09605	11.6
174.99203	3.5
177.05492	1.2
177.12816	1.1
187.11172	16.4
191.10660	7.6
191.18028	0.8
197.09651	1.7
205.12260	7.2
215.10640	10.9
215.18030	0.9
233.11693	7.8
251.12665	3.8
251.16382	0.9
251.20084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
56.05027	0.3
56.96556	0.3
57.36223	0.2
59.05003	0.4
61.01146	0.3
69.03429	0.4
69.60218	0.4
69.60591	0.9
70.06589	0.4
72.08144	3.5
72.24638	0.2
74.06068	0.3
76.02210	0.3
77.01591	0.3
81.03411	0.3
81.07051	0.2
84.04503	1.9
84.08131	1.0
85.06538	0.3
86.09682	0.4
87.04460	21.7
88.04804	0.3
90.89445	0.2
91.05511	0.3
93.05753	0.4
95.04962	0.4
98.50726	0.2
98.98456	100.0
103.05460	0.6
110.07166	0.8
116.98681	0.5
116.99482	2.8
119.01794	0.2
120.03254	0.4
120.04441	0.3
120.08080	1.5
121.01666	1.4
121.08422	1.0
121.99355	0.4
122.02749	1.1
122.09619	1.7
127.12305	0.3
130.05002	0.8
130.06500	4.6
133.05200	0.3
135.05544	0.8
136.06172	4.3
137.06491	1.0
139.02698	0.4
140.00368	0.4
148.07553	11.0
152.05382	0.3
155.85997	0.2
165.10217	23.2
166.10611	0.3
174.99210	2.7
177.09135	0.3
224.06796	0.3
233.12097	0.3
251.13867	34.3
252.14337	0.7
269.08994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
57.03434	0.3
59.04997	0.4
70.92480	0.3
79.05485	1.0
81.07047	2.5
84.05630	0.5
94.04048	1.3
98.98458	3.9
111.06652	0.5
119.03542	2.5
126.01039	1.4
136.06171	100.0
137.04558	1.3
137.06508	0.8
162.07758	0.3
175.09822	0.4
190.64249	0.2
195.99420	0.3
209.05872	1.2
234.13464	14.3
235.13937	0.3
252.10121	4.0
252.14523	50.2
253.14787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	17.4
57.03445	2.8
65.03953	1.0
65.75656	0.4
67.05484	0.6
69.48856	0.4
69.88049	1.4
75.04467	0.8
79.05486	1.9
81.07051	0.6
89.03911	0.5
91.05478	22.8
93.07042	0.8
95.04930	2.9
95.08610	0.6
97.02898	0.6
98.23343	0.4
98.98464	51.7
100.98893	0.8
103.05461	3.1
105.07027	12.2
107.04952	1.2
108.05760	0.5
115.04784	0.5
115.05446	2.6
116.99531	0.8
117.03409	0.4
118.04166	4.0
119.04939	31.7
121.06523	0.7
123.04420	2.5
123.08065	0.8
131.04904	1.0
133.06482	13.8
135.04433	0.8
136.05183	3.9
136.06187	4.3
137.04581	0.6
137.05807	1.4
137.06554	2.2
143.32875	0.4
145.39664	0.4
146.03629	12.1
147.04401	59.1
148.04733	1.0
149.05952	0.8
151.07532	1.0
161.05972	55.8
162.06323	0.9
164.04691	3.5
174.99188	1.1
176.98872	0.5
177.05429	0.9
177.93271	0.4
179.07021	100.0
180.07329	1.5
197.11774	0.5
203.07065	0.6
205.08679	0.7
217.08597	0.6
235.09666	0.8
235.13692	1.2
253.10725	6.8
253.14786	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	253.1183
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
56.96560	0.4
57.07066	0.7
59.98852	0.3
60.04521	44.8
61.02918	0.4
62.63364	0.3
67.05499	0.6
69.03429	0.4
69.07068	0.3
70.06594	0.4
70.11765	0.9
71.04983	0.8
73.18878	0.3
74.65773	0.3
77.01580	0.4
79.01287	0.4
79.05476	0.5
81.07043	2.4
87.05579	1.8
91.05463	0.4
92.87124	0.3
93.07041	0.6
95.08613	0.8
97.15851	0.3
98.98457	100.0
100.98879	1.9
103.05461	2.7
105.07040	0.5
105.90445	0.4
107.04929	1.0
109.10145	0.5
110.07152	0.6
116.99486	2.8
120.08093	70.0
121.08433	1.3
124.03931	3.9
131.04939	1.7
132.08054	0.7
134.09634	0.4
141.05382	0.6
144.08070	2.3
149.05939	1.3
153.65585	0.3
154.94070	0.4
162.09167	1.9
166.08620	39.5
167.08957	0.6
172.95181	0.8
174.99223	1.3
176.98898	1.4
188.92351	0.5
194.09224	1.0
197.11684	0.7
206.07991	0.4
207.11284	9.8
219.05072	0.4
235.10715	2.4
253.09459	0.5
253.11798	5.0
253.14542	0.5
253.15013	0.4
254.13950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55344	0.3
55.05513	0.5
56.96320	0.3
56.96553	2.0
57.07082	0.6
60.04533	0.5
65.29271	0.4
67.06241	0.4
69.03438	1.1
69.84741	1.3
70.06596	1.2
73.06563	1.2
81.07056	0.7
85.02918	2.6
91.05496	1.0
93.07053	1.6
95.04971	0.7
95.06105	0.9
95.08642	0.5
97.02901	1.3
97.07663	0.4
98.23377	0.4
98.98467	100.0
100.98874	1.2
103.05465	3.5
109.07658	0.5
110.07182	1.5
116.98623	0.9
116.99513	3.4
119.01942	0.6
120.08105	63.2
121.07675	0.7
121.08447	1.2
125.24873	0.4
127.03818	0.5
134.99664	0.4
136.07625	0.5
136.93126	0.6
139.43471	0.4
145.04948	0.8
145.36934	0.4
149.07097	0.8
150.05574	0.6
154.94200	1.4
156.97488	0.6
163.12416	0.5
165.09070	0.4
166.02907	1.3
166.09816	1.8
168.04445	0.9
172.80557	0.3
172.95242	3.1
173.07767	0.5
174.99202	1.6
176.98961	1.3
182.00545	0.4
184.04449	1.5
186.05862	0.4
188.92485	0.7
189.05490	0.5
190.96277	1.2
194.09227	8.5
195.11305	0.8
197.11760	0.9
202.05627	0.6
208.14487	0.8
212.03397	0.6
228.91153	0.6
230.04832	0.9
230.08731	0.5
231.07660	1.1
235.98181	0.5
242.10223	0.4
246.91798	0.5
252.91905	0.6
253.00752	1.3
253.04654	0.5
253.11798	1.8
253.16420	0.7
254.15143	0.9
270.92468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83236	0.6
55.05516	3.2
57.07063	0.7
65.69678	0.7
67.05502	5.0
67.97041	0.6
69.07065	5.9
70.15274	1.2
70.15605	1.0
79.05479	4.0
81.07045	12.4
82.07356	0.7
83.08620	1.5
86.77615	0.8
91.05469	4.3
93.07035	5.5
95.08597	11.4
97.06470	0.7
97.10142	0.9
98.23438	0.7
98.98453	44.6
105.07019	31.3
107.08576	8.2
109.10142	7.1
111.02641	1.1
116.99486	1.9
117.06976	0.8
119.08565	91.4
120.08898	1.1
121.10130	7.7
123.11662	5.4
129.03688	1.2
131.08525	1.3
133.10104	8.2
135.11681	3.1
137.13251	3.0
145.10074	1.3
147.11665	8.6
149.13257	1.7
151.05829	0.7
159.11737	1.9
161.13219	3.6
163.14793	1.7
166.01917	0.6
169.10033	0.9
174.99161	0.8
176.98938	0.7
177.16371	2.3
192.09436	0.8
193.10049	1.1
197.13322	1.1
201.16379	0.8
203.17911	12.6
211.14804	0.8
218.34225	0.6
253.16182	100.0
254.16591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.4
57.00519	3.0
57.07066	3.2
59.04985	4.6
60.04514	21.2
61.02911	14.6
64.98370	3.4
69.07070	4.8
69.43370	2.8
70.06577	5.7
70.43376	4.8
70.43700	4.0
71.01331	7.8
71.04974	14.3
72.08158	5.6
75.04477	12.5
79.05483	5.7
80.05029	4.8
81.07050	20.3
87.04456	7.6
87.08073	3.9
92.62630	3.1
95.08601	5.3
98.06019	3.1
98.98454	97.3
99.08051	4.6
101.31873	2.8
101.82445	3.1
103.03961	16.8
110.06052	3.6
110.07165	7.9
111.33525	3.1
112.08732	4.3
120.08103	15.7
121.07687	4.3
121.08435	30.1
124.03944	100.0
126.01051	16.4
131.03371	9.0
159.02869	47.4
160.19151	3.1
161.54912	3.7
166.08604	7.3
167.09019	16.7
176.99182	3.7
187.02379	3.5
188.92426	7.6
195.11305	6.7
208.11674	6.6
213.22328	3.4
219.04962	78.3
244.97650	3.6
254.07993	6.1
254.13747	23.3
254.17686	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	254.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04687	0.3
53.03940	0.4
55.05501	2.3
57.03426	1.4
57.07067	1.0
59.04994	4.7
60.04518	2.9
60.25253	0.3
61.02922	9.0
61.04846	0.8
61.11093	0.3
62.25285	0.3
70.98798	0.5
71.04986	11.2
71.08629	0.4
78.03463	0.6
79.05489	4.2
80.05019	2.4
81.07049	26.2
87.08105	3.6
96.04487	1.3
98.98465	4.9
99.08089	3.1
103.34856	0.3
106.02902	0.5
110.07139	0.4
113.09634	2.8
119.03620	0.3
120.08106	2.0
120.87814	0.3
121.08446	3.5
124.03941	100.0
125.04325	0.9
138.05577	0.3
159.02884	0.6
166.08682	1.1
167.08983	3.0
195.11345	0.6
208.11546	0.8
208.14444	0.4
219.04997	1.5
222.11281	1.5
222.37352	0.4
248.10670	0.3
254.13853	32.3
255.14195	0.9
268.58112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9876
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82748	4.4
70.07606	9.6
70.07938	4.1
78.95620	10.2
112.66850	4.3
120.96636	58.0
134.94554	25.9
148.96114	10.0
160.96092	7.9
164.95576	15.8
174.97681	11.6
176.95555	9.3
194.93810	5.8
194.96683	21.0
196.87749	14.1
218.96729	4.3
236.97716	18.0
254.98750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97546	4.9
52.50659	6.4
62.98256	32.1
70.37302	11.7
78.95625	10.0
89.71299	6.0
90.64076	5.5
100.08814	4.7
101.31802	5.2
104.99254	9.1
120.96642	61.8
134.94528	24.9
141.73351	5.3
144.98744	12.9
148.96140	10.4
160.96068	8.0
164.95610	15.4
174.97685	8.9
194.96611	18.4
236.97739	17.5
254.98839	100.0
255.03342	78.7
267.20514	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	254.9877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97546	4.9
52.50659	6.4
62.98256	32.1
70.37302	11.7
78.95625	10.0
89.71299	6.0
90.64076	5.5
100.08814	4.7
101.31802	5.2
104.99254	9.1
120.96642	61.8
134.94528	24.9
141.73351	5.3
144.98744	12.9
148.96140	10.4
160.96068	8.0
164.95610	15.4
174.97685	8.9
194.96611	18.4
236.97739	17.5
254.98839	100.0
255.03342	78.7
267.20514	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0651
Annotation	Chrysin
Peak:m/z	Relative Intensity
52.11330	0.1
58.20876	0.1
64.67148	0.1
65.86169	0.1
67.01521	0.1
67.01867	2.3
68.99782	1.4
69.70130	0.5
70.15634	0.1
88.07624	0.1
95.04945	0.1
98.23492	0.1
103.05460	3.0
105.03383	1.2
109.02819	0.1
111.00767	0.2
125.02341	0.2
129.01834	0.3
129.03360	1.2
129.07037	0.1
138.01427	0.1
147.04414	1.2
152.06239	0.2
153.01819	8.7
153.07021	0.3
154.02136	0.1
171.02904	0.4
171.04347	0.3
181.06453	0.2
187.07529	0.5
209.05965	1.0
213.05455	0.4
220.78618	0.1
231.06519	0.3
237.05492	0.2
255.06505	100.0
256.06870	3.0
256.26337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0651
Annotation	Daidzein
Peak:m/z	Relative Intensity
53.03927	0.4
55.01864	0.2
55.05490	0.3
56.05029	0.2
57.07062	0.1
59.35794	0.1
62.30360	0.1
65.03938	1.0
67.05495	0.5
68.99780	0.2
69.07056	0.4
69.53017	0.5
77.03934	0.4
79.05477	0.5
81.07047	0.4
84.05618	0.6
84.73122	0.1
89.03904	0.5
93.03405	1.4
93.07040	0.4
95.04963	3.0
95.08627	0.2
98.98455	3.1
105.04485	0.6
111.04430	0.6
117.03378	0.5
121.02855	4.9
121.10168	0.2
126.01052	0.2
128.02563	0.4
128.06158	0.1
135.04408	3.5
135.11728	0.3
137.02368	0.7
139.03859	0.4
143.08514	0.3
145.10155	0.2
152.06201	0.5
153.06963	1.5
157.10094	0.2
159.11717	0.2
161.02339	2.2
165.06972	1.6
171.11839	0.2
175.09769	2.1
181.06461	3.0
183.11699	0.2
199.07512	0.5
209.05908	4.4
210.06679	0.4
212.05771	0.2
221.78525	0.2
227.06914	0.3
237.05545	0.7
244.61952	0.1
255.06496	100.0
255.21045	0.5
256.06879	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	255.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05894	0.1
67.01517	0.2
67.01854	2.5
68.99775	1.5
71.42450	0.1
74.77080	0.1
77.03946	0.1
78.75140	0.1
81.03384	0.1
83.01361	0.1
91.01830	0.2
97.02847	0.2
98.98443	0.3
103.04759	0.2
103.05452	3.4
105.03375	1.2
109.02856	0.2
111.00800	0.3
113.59734	0.1
115.05415	0.2
125.02357	0.1
127.03848	0.1
128.10690	0.1
129.01810	0.2
129.03342	1.5
135.61049	0.1
141.07002	0.1
147.04391	1.5
152.06233	0.2
153.01802	9.5
153.06953	0.5
154.02092	0.2
169.06487	0.1
171.02861	0.6
171.04395	0.4
181.06464	0.3
186.06679	0.1
187.07518	0.5
199.07481	0.2
209.05907	1.3
213.05510	0.5
214.34654	0.1
227.06973	0.2
231.06548	0.3
237.05353	0.2
255.06474	100.0
256.04153	0.2
256.06836	3.0
256.09421	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	255.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62157	0.1
62.48344	0.1
67.01859	2.3
67.05507	0.2
68.50495	0.1
68.99786	1.7
69.03431	0.1
69.07059	0.2
74.89626	0.1
75.66926	0.1
79.05476	0.2
81.07045	0.1
91.05474	0.2
93.07030	0.1
95.04968	0.3
95.08588	0.2
95.68442	0.1
97.06536	0.2
98.98456	1.5
99.19382	0.1
103.05457	2.7
105.03401	1.1
105.06972	0.1
111.00776	0.2
111.04388	0.1
117.06996	0.1
119.08585	0.2
127.03917	0.1
129.01862	0.2
129.03354	1.6
132.22107	0.1
143.08548	0.1
147.04399	1.3
152.06206	0.3
153.01814	8.8
153.06972	0.3
163.10953	0.2
167.71185	0.1
169.06467	0.2
171.02867	0.8
171.04324	0.3
175.09779	0.4
181.06476	0.3
186.06726	0.2
187.07497	0.3
207.62683	0.1
209.05928	1.8
210.06795	0.1
213.05446	0.3
227.06912	0.2
231.06589	0.2
235.18233	0.1
237.05521	0.3
255.06496	100.0
256.06857	2.8
267.65405	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	255.0651
Annotation	Chrysin
Peak:m/z	Relative Intensity
55.05500	0.1
56.75172	0.1
67.01862	2.3
67.05495	0.1
68.99779	1.5
69.50651	0.6
71.04960	0.1
79.05493	0.1
81.07082	0.1
84.05613	0.4
85.02884	0.3
91.05485	0.2
95.04940	0.2
95.08585	0.2
98.22653	0.3
98.98447	1.4
103.05458	3.1
105.03380	1.2
107.08530	0.2
111.00805	0.2
113.02370	1.4
113.63055	0.1
115.05449	0.1
115.32562	0.1
125.02302	0.2
127.01554	0.2
128.02631	0.3
129.01898	0.3
129.03357	1.5
129.06929	0.1
145.04918	0.3
147.04388	1.4
153.01811	8.8
153.07007	0.3
171.02870	0.7
171.04262	0.2
174.09042	0.2
175.09789	1.2
181.06523	0.2
187.07552	0.3
209.04140	0.2
209.05939	2.4
210.06679	0.3
213.05479	0.5
231.06493	0.3
237.05399	0.1
255.06493	100.0
256.06839	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	255.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13720	0.9
53.03941	4.7
55.01864	4.2
55.05510	12.9
57.03436	4.9
59.05003	1.2
65.03922	2.2
67.05499	6.4
69.03431	31.0
70.65363	2.7
71.01354	3.1
71.04982	5.0
73.02927	2.9
74.84721	1.2
79.05494	4.1
81.03416	21.5
83.04979	100.0
85.02896	18.1
87.04472	1.5
89.32727	1.1
91.05475	2.1
93.07056	1.8
95.01337	1.7
95.04951	6.8
95.34877	1.0
97.02889	24.6
97.06548	2.0
98.09154	1.1
98.98463	15.0
99.04462	13.2
101.06016	2.1
105.07034	1.5
107.04935	2.5
109.02883	9.3
109.06534	1.9
111.04438	47.3
113.02378	4.6
113.06003	2.3
118.85690	1.0
121.06532	1.8
123.04449	3.2
125.02388	1.7
126.01099	6.0
127.03915	15.7
128.02643	2.5
129.05493	4.3
135.04478	2.7
137.06018	2.5
139.03899	1.1
149.06044	1.5
163.07535	1.6
167.03409	1.1
171.06854	3.7
175.09821	1.7
179.07047	1.4
210.42883	1.1
221.52568	1.2
225.07620	3.2
227.09207	2.5
237.07751	2.2
255.06415	1.8
255.08495	10.4
255.20758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57692	1.2
53.03943	6.4
55.01859	3.6
55.05510	16.7
57.03427	5.7
57.19470	1.3
57.37099	1.3
61.12383	1.3
67.05492	3.4
68.99791	1.9
69.03428	28.5
69.03801	1.8
70.06602	1.3
71.01344	2.9
71.04978	4.5
71.10595	1.4
73.02920	2.7
79.05489	4.1
81.03416	20.4
81.07053	2.5
83.04977	100.0
85.02906	16.5
85.06492	1.4
91.05481	2.5
93.07062	2.4
95.01318	2.6
95.04974	8.5
97.02884	21.5
97.06523	3.6
98.98461	16.5
99.04449	16.0
101.06030	1.9
105.07012	1.9
107.04932	2.3
109.02885	9.4
109.06514	1.5
111.04435	41.7
113.02370	4.3
113.06040	1.9
121.06520	2.6
123.04415	2.8
124.11224	7.0
125.11550	1.6
126.01053	4.6
127.03917	8.5
128.02625	1.5
129.05464	4.3
131.04956	2.4
135.04466	1.8
135.08017	1.7
137.05954	2.1
138.85721	1.3
141.01897	1.5
141.05409	1.3
149.05925	1.6
151.03870	2.7
157.05074	1.5
163.07564	1.7
166.12404	1.5
171.06773	2.1
177.05490	1.6
187.03987	1.4
187.73839	1.3
191.06947	1.5
209.06056	2.9
209.08014	1.5
225.07599	4.0
227.09148	2.6
237.07607	2.0
255.03041	3.7
255.06277	2.1
255.08522	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	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57468	0.6
55.01860	2.4
57.03427	2.6
61.42438	0.6
64.05269	0.7
69.03411	2.3
69.60983	1.9
70.93870	0.6
71.01334	1.2
73.02906	2.5
73.70830	0.5
78.03445	1.3
78.95654	0.9
80.05015	3.0
85.02888	2.2
87.04477	0.6
94.78366	0.5
96.04466	1.0
97.02927	0.7
98.98438	0.7
106.02901	7.4
106.54316	0.6
107.71042	0.6
110.07188	1.7
115.03935	1.7
120.63513	0.5
120.96638	3.0
121.92314	1.0
123.05543	100.0
124.03947	8.0
124.05864	0.9
133.04955	2.2
134.94547	1.2
136.94011	0.7
148.49199	0.6
148.96085	0.7
151.93384	0.7
164.95618	0.9
194.93918	2.1
205.06599	0.5
213.05190	0.6
236.97633	1.4
254.98862	3.6
255.02644	0.7
255.06212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1744
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03938	1.0
55.01868	1.5
55.05511	4.0
57.03421	1.7
57.07067	1.8
67.05509	6.6
69.03415	2.7
69.07053	4.4
69.18162	4.3
79.05477	6.5
81.03410	10.5
81.07050	9.5
83.04973	1.8
83.08615	1.2
84.05626	1.2
91.05474	9.2
93.07039	8.2
95.04961	4.5
95.08611	7.8
97.06518	1.5
98.22705	1.4
98.98455	7.3
105.07018	14.4
107.04933	2.1
107.08569	5.0
109.06492	3.1
109.10128	2.6
111.08007	1.0
115.05444	2.3
117.07005	4.8
119.04889	1.6
119.08572	9.4
119.31380	0.7
121.06505	1.7
121.10120	3.1
123.08060	2.0
123.11671	1.1
124.82327	0.7
128.06203	3.7
129.06996	10.5
131.04913	2.9
131.07652	1.1
131.08568	11.4
133.06487	4.0
133.10097	4.9
135.08023	1.4
135.11650	0.9
141.06960	5.2
142.07780	6.7
143.08548	14.9
144.09322	1.0
145.06465	3.8
145.10106	11.4
147.08017	3.8
147.11665	3.2
152.06226	1.5
153.06937	3.7
154.07681	2.1
155.08549	10.7
156.09369	3.4
157.06456	1.5
157.10109	15.4
158.07292	1.0
158.10718	0.9
159.08049	5.0
159.11667	7.8
161.09554	3.9
161.13174	1.0
165.06973	8.1
166.07777	4.7
167.08553	9.9
168.09311	2.5
169.06429	1.8
169.10126	14.1
170.10898	1.7
171.07999	4.4
171.11676	10.8
172.08826	0.8
172.52837	0.8
173.09596	4.8
173.13245	9.0
174.13879	1.6
175.09764	4.1
175.11180	1.1
178.07816	1.9
179.08537	6.5
180.09349	3.6
181.06544	1.1
181.10126	12.1
182.10835	2.6
183.07990	2.3
183.11665	7.3
184.08743	1.2
185.09589	8.4
185.13254	7.1
187.11154	2.2
187.14816	0.8
193.10144	5.5
194.10840	4.9
195.07973	1.5
195.11671	16.2
196.12392	3.2
197.09610	2.8
197.13258	5.9
198.10341	1.5
198.13982	1.2
199.07542	1.2
199.11153	9.5
199.14763	4.2
207.08038	1.1
207.11714	3.9
208.12366	2.7
209.05911	4.1
209.09647	1.7
209.13271	10.6
211.11140	3.5
211.14790	11.0
212.05956	1.0
212.11871	2.0
213.12764	5.3
213.16304	2.4
219.11607	0.8
222.10396	1.1
222.14011	3.6
222.44974	0.7
225.12717	1.8
225.16350	1.5
226.13403	2.2
227.10629	0.8
227.14262	3.6
227.17949	8.3
237.12708	3.0
237.16368	15.6
240.11327	0.9
240.15005	1.7
255.10199	3.1
255.13788	33.0
255.17390	100.0
256.14243	1.5
256.17673	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	255.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.3
57.07063	2.2
65.03946	0.9
67.05499	8.4
69.07064	5.0
71.01755	0.6
79.05479	6.2
81.07050	13.5
83.08606	2.1
84.05618	1.2
87.27940	0.6
91.05486	6.5
93.07035	10.7
95.04945	1.2
95.08595	12.9
97.10145	1.3
98.98443	4.4
105.07023	17.4
105.07735	1.1
107.08582	12.7
109.10147	9.6
109.55244	0.5
111.11610	0.7
117.06995	3.6
119.08579	12.9
121.10131	5.1
123.11697	3.5
128.06226	2.0
129.06996	5.0
130.07796	1.4
131.08556	10.1
133.10121	8.8
135.11705	3.6
141.06926	1.1
142.07784	3.8
143.08549	13.3
144.09312	1.2
145.10110	17.8
147.11673	10.4
149.13240	3.0
152.24387	0.6
153.07008	1.0
155.08548	1.6
156.09343	3.1
157.10126	20.7
158.10669	1.1
159.11684	18.6
161.13228	6.8
169.10083	1.9
170.10887	1.8
171.11681	15.0
172.12289	1.2
173.11870	0.8
173.13258	9.9
174.08881	0.9
174.55316	0.7
175.09814	2.9
175.14850	1.4
181.10110	1.1
183.11682	2.1
184.12445	1.1
185.09656	0.9
185.13240	14.5
187.14769	3.5
197.13255	2.6
199.11064	1.0
199.14796	19.4
200.15520	1.1
209.05923	3.5
209.11606	0.7
210.06619	0.8
211.14790	1.4
212.15532	1.9
213.16379	10.4
225.16391	1.1
227.17924	3.1
237.16351	1.1
240.18672	1.8
246.95882	0.7
255.06364	0.7
255.13852	1.8
255.17531	6.0
255.21051	100.0
256.21429	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	255.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08578	0.6
53.03957	0.8
55.05511	4.5
57.07066	1.1
67.05505	6.7
69.07066	5.3
69.75264	2.8
79.05489	5.8
81.07053	10.8
83.08605	1.9
91.05479	6.1
93.07028	9.0
95.04961	0.8
95.08599	13.4
97.10196	0.9
98.23427	0.8
98.98478	0.8
105.07024	13.8
107.08589	8.7
109.10150	8.1
117.07030	3.8
119.08585	17.0
121.10128	6.3
123.11694	3.2
128.06255	1.3
129.07019	4.8
130.07770	0.8
131.08557	8.8
133.10124	10.1
135.11699	2.5
141.07004	0.8
142.07758	3.5
143.08556	11.5
144.09373	1.9
145.10120	17.0
147.11678	8.9
149.13289	1.8
155.08556	1.3
156.09319	2.7
157.10123	16.9
158.10730	1.6
159.11665	14.0
161.13258	7.2
169.10081	1.2
170.10844	1.5
171.11670	15.0
173.13257	8.3
175.09787	1.2
175.14832	1.5
183.11659	1.4
184.12492	0.8
185.13249	16.3
186.13806	1.0
187.14850	3.4
189.81828	0.7
197.13234	3.4
198.14035	1.2
199.14798	18.5
200.15416	1.1
209.05904	1.2
211.14769	1.6
212.15524	2.5
213.16356	9.9
225.16385	1.4
226.16920	1.1
227.17900	3.8
240.18631	1.6
255.21062	100.0
256.21445	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	256.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91948	0.2
55.05493	0.4
56.05031	0.5
57.07064	0.4
58.06566	0.3
63.02356	0.4
65.03954	0.3
67.05505	0.4
69.60607	0.8
69.88141	0.3
70.06580	0.4
71.59181	0.2
72.04512	0.3
72.08150	1.4
72.98467	0.5
79.05473	0.5
80.04995	0.6
81.03395	0.9
84.04503	0.4
84.05606	1.1
86.13475	0.3
87.11965	0.2
90.03437	6.8
91.04224	0.8
94.06562	0.5
96.04478	0.3
97.60502	0.3
98.97587	2.0
98.98475	0.5
98.99998	3.1
100.07605	1.1
107.06050	0.4
107.08578	0.5
108.04452	0.5
108.08134	0.3
114.00978	0.3
114.05546	0.3
116.06371	0.3
116.98614	1.4
118.06528	0.5
118.48035	0.3
121.07658	1.2
124.11208	1.0
125.33792	0.2
126.01060	100.0
127.01397	1.1
128.00760	0.4
128.02625	8.6
129.03029	0.3
129.06528	0.3
131.04927	0.3
133.06348	0.3
133.07605	0.6
134.99617	0.8
135.09172	2.2
137.02379	0.5
137.09198	0.2
140.93985	0.2
142.05009	0.4
144.02124	1.3
145.07489	0.5
146.07156	0.5
147.04259	0.3
147.06866	0.3
147.07889	1.7
147.09052	0.4
148.08664	0.4
149.09624	0.3
153.02115	1.7
155.08223	0.3
157.05280	1.7
161.09531	1.0
163.93394	0.2
166.12340	0.3
167.03709	0.6
171.06831	3.6
172.07181	0.3
174.08984	0.5
175.08321	0.3
175.09789	4.3
176.11816	37.8
177.12209	0.5
181.05263	5.1
182.06029	1.1
187.03870	0.8
209.05916	3.8
210.06619	0.6
212.05875	0.5
212.09419	1.0
240.86050	0.3
256.06168	0.7
256.08472	10.6
256.10919	0.4
256.15640	0.3
256.20322	0.3
256.26318	0.9
257.04376	1.4
257.08630	0.3
274.97418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1332
Annotation	(S)-N-(1-Hydroxymethyl-2-phenylethyl)-benzamide
Peak:m/z	Relative Intensity
50.01587	0.5
51.02361	0.4
53.03943	2.2
56.05023	0.6
56.96570	0.4
57.07066	1.3
58.06604	0.4
59.86681	0.3
60.08161	4.1
69.83839	0.9
71.08633	0.4
77.03913	2.3
79.05500	1.0
84.05627	0.5
90.53435	0.3
91.05476	29.9
92.05814	0.4
95.04964	9.8
95.08576	0.3
95.11505	0.3
98.97582	1.2
105.03387	100.0
105.04521	4.5
106.03722	1.3
115.05453	2.4
116.98693	0.6
117.07011	36.4
118.07332	0.4
122.06020	1.8
128.02608	0.5
134.09647	15.7
134.99658	0.4
172.85867	0.3
174.09100	0.5
175.09792	2.8
177.88210	0.3
182.15764	0.3
209.05872	3.0
212.05965	0.3
237.07407	0.3
238.12239	6.3
239.10669	2.8
239.12711	0.4
256.13312	9.7
256.26254	1.4
256.29974	17.0
257.30255	0.3
274.97397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05507	6.0
56.05037	1.0
57.07077	1.5
58.06595	1.9
60.04511	1.3
62.06086	100.0
65.03939	1.8
65.55580	0.9
67.05501	19.5
69.07072	5.0
70.02943	5.7
70.06593	9.6
71.04989	6.6
71.11271	0.9
71.11623	1.0
72.04514	3.5
72.08157	6.4
79.05486	16.0
80.96024	1.0
81.07057	18.6
82.06562	1.5
83.04984	1.7
83.08635	2.0
84.05621	10.4
84.08153	2.4
85.06539	3.4
86.06079	0.9
88.03992	4.2
91.05481	9.4
93.07044	24.1
95.04958	3.8
95.05524	0.9
95.08593	10.3
96.09576	0.8
97.06522	4.0
98.06045	1.1
99.05543	1.0
100.07616	43.0
105.07038	4.4
107.04953	1.2
107.08583	9.6
109.06517	1.7
109.10180	1.6
110.09679	6.6
111.08080	1.0
117.07035	4.3
119.08576	1.2
121.06492	1.5
121.10147	1.5
124.07604	1.4
124.11230	51.4
126.01073	12.9
128.02621	6.4
128.07028	1.2
131.08591	3.5
133.10126	4.0
135.08034	1.6
135.11685	7.1
137.02335	2.6
140.38210	1.1
146.07118	1.1
147.11682	1.2
149.13245	5.3
152.10722	3.1
154.17993	1.0
159.07799	1.1
159.11681	7.8
173.08237	1.8
174.09032	3.7
175.09793	38.8
177.12729	9.6
186.14992	1.0
187.14420	4.1
191.34866	1.0
193.01329	3.1
209.05879	39.0
210.06683	4.3
212.05882	4.7
226.18007	2.5
238.18011	22.0
256.06042	4.4
256.18958	20.1
257.08243	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2998
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
50.54911	0.2
50.80585	0.2
50.96028	0.2
53.33809	0.2
54.42982	0.2
55.05483	0.2
57.06787	0.2
57.07073	5.9
58.06590	1.5
60.08162	22.4
69.19305	0.6
69.19714	0.7
69.97168	0.2
71.08624	2.4
81.07050	0.2
84.05606	0.2
85.10184	1.2
88.35537	0.2
98.97578	0.8
105.07086	0.2
116.98615	0.4
128.02538	0.2
175.09775	0.7
209.05869	0.7
256.29968	100.0
257.30252	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	256.9823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	9.8
58.06586	9.0
59.34959	8.4
64.56304	9.0
66.94645	6.8
70.06589	27.4
71.39899	8.6
72.08148	28.0
83.32064	8.0
84.04500	13.5
84.08125	10.6
85.02884	9.5
94.93018	50.9
104.10725	9.8
110.07143	23.8
115.04003	8.4
119.01881	8.4
121.10285	7.7
123.05550	63.4
124.03938	100.0
124.05894	28.2
125.04304	42.8
125.07074	11.8
132.10185	25.0
136.94028	57.8
148.94041	31.0
154.15442	8.3
156.07655	13.8
160.96146	10.6
166.95135	15.0
167.96570	9.1
171.10910	8.8
175.09792	8.1
176.06865	7.8
176.10188	8.6
176.93507	25.4
197.07716	23.3
238.97246	78.9
240.17073	12.8
256.98285	84.7
257.03854	12.3
257.12793	8.9
257.19611	18.4
274.42545	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	257.0807
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
50.07246	0.2
51.02384	0.3
53.19949	0.2
55.01866	0.2
62.17051	0.2
65.49418	0.2
67.01862	4.9
68.99784	4.3
69.03421	1.3
77.03918	0.4
79.05496	2.0
80.92528	0.2
81.03407	0.5
83.01336	0.5
91.05482	2.7
92.99801	0.3
93.40230	0.2
95.04957	0.5
97.02883	1.0
102.61813	0.2
103.05463	17.1
103.87769	0.2
105.03381	0.7
105.04529	0.6
105.07044	0.3
107.04951	2.0
111.00810	1.0
119.05032	0.3
121.02864	0.7
123.04417	1.2
125.02364	0.3
127.03953	0.4
129.01842	0.7
131.04922	35.8
132.05258	0.5
133.31201	0.2
139.00253	1.9
145.06490	0.6
147.08025	0.4
151.03889	2.3
153.01819	100.0
154.02171	1.5
155.04897	0.3
171.02881	12.6
172.03214	0.4
173.05969	2.9
179.03354	1.2
190.24358	0.2
191.06989	0.8
202.04251	0.2
203.21300	0.2
215.06979	1.3
229.04889	0.3
229.08563	0.3
239.06943	0.4
257.04755	2.7
257.08069	83.3
258.08417	2.6
269.35965	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	257.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82590	1.0
58.65504	1.0
60.05640	7.5
63.57769	1.1
67.71868	1.0
69.60306	1.8
69.60719	3.0
70.06588	58.7
80.05008	1.3
82.17360	1.1
83.00967	4.7
83.65116	1.0
86.09699	1.1
95.06059	1.3
97.07643	18.4
98.97533	1.2
101.00909	1.7
101.02012	6.1
104.10742	5.9
110.09698	1.1
112.03576	4.9
116.05544	1.7
118.04637	4.4
118.07178	1.4
119.01923	5.2
127.07191	1.3
128.05557	1.2
130.04616	3.9
131.01878	1.6
132.06181	1.5
136.05682	1.3
137.05650	1.2
140.06670	2.6
142.08237	5.5
143.06575	1.0
144.05031	1.3
147.11707	1.7
152.06670	2.5
153.05086	1.0
153.09718	1.4
154.08235	3.8
155.06660	9.6
156.05054	4.0
157.10788	1.9
160.04477	1.4
160.09322	3.6
168.06201	2.1
169.09335	14.3
170.06584	7.8
170.07805	1.1
171.06200	6.5
171.10890	21.5
172.09320	9.4
173.03024	1.9
173.07733	16.2
175.01984	1.1
175.09900	1.4
175.11940	1.6
177.00923	2.4
180.04997	2.1
184.04518	1.5
186.05902	1.2
186.07408	2.0
187.10373	8.7
188.07573	1.3
189.11961	22.5
197.07666	92.9
198.06090	6.1
198.07832	4.7
202.05739	1.4
212.05858	1.2
215.08565	100.0
216.07086	4.3
216.08649	5.0
219.01956	2.6
233.10980	13.5
237.66319	1.1
238.10252	2.6
239.07480	2.4
239.09889	46.5
242.94920	1.1
257.10977	28.2
258.13287	1.5
261.02975	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	14.3
58.06592	2.0
60.05642	6.8
61.49541	1.0
69.60970	3.8
70.06588	65.9
72.08155	9.8
73.08491	1.4
74.06070	1.8
80.04994	1.9
82.06570	3.1
83.00932	4.4
83.06108	1.5
84.04479	3.8
84.08133	6.2
86.09692	3.7
88.07617	2.5
93.88448	1.1
95.06090	2.3
97.07648	15.0
98.06026	1.4
98.23374	1.7
98.97573	55.8
100.03532	1.3
101.01996	6.4
102.62344	1.4
102.70791	1.0
108.04460	12.1
110.07158	12.4
112.03563	5.8
112.08714	2.8
114.09124	3.4
116.05542	1.7
116.98608	42.7
118.04662	6.2
119.01907	4.9
121.01659	2.5
123.05523	1.9
125.07083	8.3
125.19965	1.1
127.07146	1.6
128.05560	1.7
129.10153	1.5
130.04614	3.2
130.93282	1.5
132.06236	1.3
132.10190	15.6
134.99649	22.6
136.05626	1.5
137.02959	1.8
137.05635	1.6
140.06706	2.5
142.08212	6.8
144.05032	2.8
152.06688	4.3
153.00711	3.3
154.08214	1.6
155.06595	6.7
156.05075	2.4
156.07703	6.5
156.97441	2.7
157.10823	3.7
160.05724	1.2
160.09306	4.3
164.01147	1.1
168.06177	3.2
169.09341	15.7
170.06537	5.5
170.07878	1.8
171.10892	24.6
172.09315	8.2
172.94290	2.9
173.07706	18.9
174.06093	1.6
174.98711	2.2
177.00917	2.6
179.06619	4.1
180.04976	2.4
187.10451	8.9
188.07761	2.5
189.11957	27.0
190.95308	3.7
192.98615	1.9
197.07657	100.0
198.06084	7.9
198.07739	2.4
207.05757	2.5
208.96297	1.6
210.98489	1.3
215.08563	99.5
216.07047	3.7
216.08936	5.8
228.99693	2.2
231.00137	1.3
232.96367	2.4
233.10942	17.2
234.03197	1.9
234.10083	2.6
238.10312	2.7
238.97911	3.0
239.09840	48.2
240.08476	7.8
240.17043	2.6
249.01221	1.4
256.96323	3.4
256.99048	6.3
257.11035	40.3
257.15051	2.0
257.19687	4.2
274.97375	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05497	3.6
56.96538	1.5
57.07073	7.6
67.05487	6.2
68.99781	2.7
69.07047	5.3
70.06583	3.2
71.04964	3.2
71.08609	3.5
71.42865	0.9
72.08151	9.8
79.05494	5.4
81.07048	11.1
83.04945	2.5
83.08599	2.7
85.06536	3.2
87.13124	0.9
88.07641	5.6
89.07936	1.3
90.09197	6.5
91.05476	6.9
92.93923	0.8
93.07040	10.2
95.04954	1.9
95.08599	13.2
97.06484	1.8
97.10162	1.5
98.97578	8.3
99.08068	1.4
102.09181	2.2
103.05463	1.0
105.07017	15.8
107.08569	13.9
109.06501	3.6
109.10158	9.6
111.08078	2.4
115.05435	0.9
116.98608	7.5
117.07019	4.6
119.08565	17.4
121.02857	2.1
121.10139	32.5
123.08031	2.9
123.11673	2.6
128.06184	2.6
129.06981	3.4
131.08553	14.1
133.10112	10.1
134.99669	2.1
135.08035	7.3
135.11655	4.7
137.09587	4.2
139.00269	1.7
141.06972	1.9
142.07761	3.5
143.08533	12.7
144.09306	2.4
145.10101	22.0
147.08093	1.4
147.11661	6.0
149.09605	2.3
149.13243	2.9
151.11084	1.4
155.08533	3.7
156.09332	2.6
157.10120	18.6
158.10866	3.2
159.08075	1.3
159.11685	21.3
161.09605	2.7
161.13263	4.3
163.11186	2.9
165.07010	0.9
167.08551	0.9
168.09325	1.5
169.10106	8.7
171.11690	11.4
173.09616	2.2
173.13243	24.2
174.08937	0.9
174.13985	3.8
175.09737	3.0
175.11169	3.0
175.14818	4.3
176.10120	2.5
177.12721	1.3
181.10201	1.4
182.10893	1.7
183.11655	13.2
184.12451	3.2
185.13232	3.6
187.11160	7.0
187.14758	7.4
189.12706	2.1
195.11783	1.0
196.97633	0.9
197.13281	7.3
199.14812	25.7
201.12758	8.8
201.16350	3.0
209.13223	1.1
210.06187	2.7
211.05511	2.9
211.14743	1.8
213.16362	11.3
214.13399	1.2
214.17099	3.2
215.14276	3.2
215.17903	8.8
220.06371	1.1
224.15471	2.1
239.17940	15.5
256.26447	1.5
257.04361	5.7
257.18982	100.0
257.22562	15.8
257.26660	31.6
258.19336	3.0
258.27908	41.4
274.97485	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.6
56.96538	1.5
57.07073	7.6
67.05487	6.2
68.99781	2.7
69.07047	5.3
70.06583	3.2
71.04964	3.2
71.08609	3.5
71.42865	0.9
72.08151	9.8
79.05494	5.4
81.07048	11.1
83.04945	2.5
83.08599	2.7
85.06536	3.2
87.13124	0.9
88.07641	5.6
89.07936	1.3
90.09197	6.5
91.05476	6.9
92.93923	0.8
93.07040	10.2
95.04954	1.9
95.08599	13.2
97.06484	1.8
97.10162	1.5
98.97578	8.3
99.08068	1.4
102.09181	2.2
103.05463	1.0
105.07017	15.8
107.08569	13.9
109.06501	3.6
109.10158	9.6
111.08078	2.4
115.05435	0.9
116.98608	7.5
117.07019	4.6
119.08565	17.4
121.02857	2.1
121.10139	32.5
123.08031	2.9
123.11673	2.6
128.06184	2.6
129.06981	3.4
131.08553	14.1
133.10112	10.1
134.99669	2.1
135.08035	7.3
135.11655	4.7
137.09587	4.2
139.00269	1.7
141.06972	1.9
142.07761	3.5
143.08533	12.7
144.09306	2.4
145.10101	22.0
147.08093	1.4
147.11661	6.0
149.09605	2.3
149.13243	2.9
151.11084	1.4
155.08533	3.7
156.09332	2.6
157.10120	18.6
158.10866	3.2
159.08075	1.3
159.11685	21.3
161.09605	2.7
161.13263	4.3
163.11186	2.9
165.07010	0.9
167.08551	0.9
168.09325	1.5
169.10106	8.7
171.11690	11.4
173.09616	2.2
173.13243	24.2
174.08937	0.9
174.13985	3.8
175.09737	3.0
175.11169	3.0
175.14818	4.3
176.10120	2.5
177.12721	1.3
181.10201	1.4
182.10893	1.7
183.11655	13.2
184.12451	3.2
185.13232	3.6
187.11160	7.0
187.14758	7.4
189.12706	2.1
195.11783	1.0
196.97633	0.9
197.13281	7.3
199.14812	25.7
201.12758	8.8
201.16350	3.0
209.13223	1.1
210.06187	2.7
211.05511	2.9
211.14743	1.8
213.16362	11.3
214.13399	1.2
214.17099	3.2
215.14276	3.2
215.17903	8.8
220.06371	1.1
224.15471	2.1
239.17940	15.5
256.26447	1.5
257.04361	5.7
257.18982	100.0
257.22562	15.8
257.26660	31.6
258.19336	3.0
258.27908	41.4
274.97485	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03932	0.9
55.01854	1.4
55.05508	10.6
57.03413	1.4
57.07068	1.6
65.03916	1.2
67.05499	23.7
67.88161	0.8
69.07053	8.5
70.99019	1.0
71.04986	1.4
74.05985	0.7
79.05486	12.7
81.07048	18.9
83.04956	1.6
83.08603	3.2
84.05595	0.9
85.06524	2.1
91.05470	21.8
93.07032	11.3
95.04945	2.2
95.08597	15.5
97.06520	3.4
97.10161	1.4
98.97543	3.7
105.06341	1.5
105.07017	18.4
107.04916	1.6
107.08583	6.3
109.06516	1.5
109.10144	5.4
111.08086	1.8
115.05421	3.5
116.06229	2.2
116.98603	1.6
117.07006	30.0
119.04963	0.9
119.08559	11.6
121.02876	0.9
121.06526	1.3
121.10132	5.3
123.08067	1.8
123.11672	0.8
125.09604	0.8
128.06197	5.2
129.06995	16.2
130.07782	4.2
131.08554	61.7
133.06467	3.1
133.10118	10.3
135.08058	2.1
135.11649	4.1
137.09608	2.0
141.06967	6.0
142.07791	4.5
143.08542	19.4
144.09344	1.4
145.06468	4.6
145.10106	86.7
146.10529	1.1
147.08044	3.6
147.11688	5.8
149.09601	2.3
151.11099	1.1
153.06885	0.9
154.07750	2.2
155.08517	9.2
156.09262	1.3
157.10114	23.4
159.08089	3.8
159.11679	28.1
161.09627	4.7
161.13237	2.0
163.11133	1.7
167.08623	1.2
168.09293	1.5
169.07738	0.9
169.10101	13.9
171.11668	22.0
173.09592	3.4
173.13251	13.2
175.09813	1.6
175.11179	5.6
175.14806	1.4
176.10062	1.6
181.10178	1.0
182.10837	1.1
183.11670	15.9
185.13225	5.6
187.11133	8.1
187.14798	1.7
188.11809	1.1
189.12708	2.8
195.11568	1.1
197.13246	14.5
199.14784	3.4
201.12767	4.5
201.16473	0.9
210.06229	1.7
211.05540	2.0
211.14769	4.3
213.16359	3.6
215.14363	4.0
215.17964	2.7
229.15915	1.1
229.19508	5.7
239.17915	29.0
249.80373	0.7
257.04468	0.8
257.18982	100.0
258.19373	2.9
274.97495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53579	1.2
55.05516	7.1
56.96563	2.5
57.07072	8.1
65.03915	1.4
67.05495	9.3
68.99790	3.0
69.07069	8.5
69.25278	2.1
69.25667	3.7
70.06591	5.4
71.04993	4.5
71.08634	2.2
72.08148	11.2
76.71450	1.3
79.05492	6.6
81.07048	11.6
83.04983	2.3
83.08620	4.2
85.06557	3.9
86.09727	1.2
88.07605	5.8
89.07991	1.9
90.09193	7.7
91.05485	10.7
93.07044	15.3
95.04980	4.5
95.08595	18.2
97.10196	2.1
98.22729	2.1
98.97594	12.3
102.09194	1.6
105.07023	21.7
107.08590	18.4
109.06522	4.5
109.10145	11.4
115.05464	1.4
116.97912	1.2
116.98627	7.3
117.07014	7.4
119.08575	20.3
121.02883	2.5
121.06512	1.5
121.10139	35.3
123.08039	2.7
123.11705	3.3
128.06274	2.2
129.07004	5.2
131.08549	20.2
133.10124	14.3
134.99715	2.3
135.08064	6.8
135.11684	6.5
137.09618	3.8
139.00282	1.8
141.07021	2.4
142.07809	6.0
143.08537	14.2
144.09326	3.4
145.10112	28.9
147.08015	1.3
147.11691	7.5
149.09642	3.4
149.13205	5.5
151.11125	1.3
155.08598	4.4
156.09352	4.2
157.10114	22.7
158.10904	5.3
159.11690	27.8
161.09650	2.0
161.13229	8.4
163.11179	2.9
167.08511	2.3
168.09325	4.1
169.10107	9.5
170.10913	3.2
171.11679	14.2
173.09608	2.9
173.13258	30.0
174.14017	3.7
175.09850	2.7
175.11176	2.9
175.14807	7.0
176.10149	3.3
182.10941	2.1
183.11678	11.7
184.12508	3.1
185.13292	4.1
187.11177	6.3
187.14806	9.2
189.12752	2.5
195.11752	1.8
196.12399	1.2
197.13263	12.0
199.14787	26.4
201.12764	9.9
201.16315	6.8
209.13316	2.0
210.06097	2.5
211.05565	2.9
211.14832	2.0
213.16348	8.3
214.05678	1.2
214.17143	3.4
215.14450	2.8
215.17926	11.0
224.15678	2.3
229.19615	2.0
239.17952	16.0
256.26343	4.8
257.04486	4.7
257.19025	100.0
257.22626	28.1
257.26718	40.7
258.19394	2.2
258.27908	49.4
274.97485	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	257.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.1
57.07050	1.7
67.05499	11.9
69.06714	0.8
69.07068	13.0
69.27748	2.7
79.05493	8.0
81.07052	24.5
83.08632	4.0
83.96343	0.4
91.05472	8.4
93.07034	17.3
94.07389	0.6
95.04967	1.7
95.08600	32.5
97.10149	1.9
98.97577	1.1
105.07019	23.9
106.07394	0.7
107.08584	21.3
109.06506	0.5
109.10149	19.2
111.11687	1.1
116.98606	0.6
117.06999	4.1
119.08571	22.1
119.09428	1.1
121.10131	13.5
123.11707	5.5
125.09085	0.5
129.06972	1.1
130.07802	0.8
131.08559	10.5
133.10115	17.7
134.10468	0.6
135.11700	10.3
137.13210	1.0
138.83435	0.5
143.08559	1.5
144.09290	1.0
145.10117	17.3
146.10764	0.7
147.11678	17.1
149.12102	0.9
149.13252	13.3
150.13477	0.6
155.08603	0.8
157.10107	2.0
158.10898	0.5
159.11684	16.2
160.12259	0.5
161.13235	17.3
161.57307	0.5
163.11073	0.5
163.14804	5.8
171.11699	1.9
173.13248	11.5
174.13681	0.7
175.14795	8.5
177.16345	1.0
183.11661	0.9
185.13237	1.2
187.11284	0.5
187.14799	16.4
189.16382	1.6
197.13269	0.6
199.14775	1.7
201.16377	19.6
202.16942	0.9
213.16307	1.7
214.17058	1.6
215.17918	5.8
229.19504	3.2
239.17801	0.9
242.20044	0.8
257.19281	3.3
257.22620	100.0
257.30292	1.4
258.23019	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	257.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.4
56.33323	0.7
56.96553	0.7
57.07071	3.5
58.06592	1.4
58.07380	0.6
60.08162	8.4
60.83303	0.7
61.08493	1.4
65.03939	0.7
67.05160	1.1
67.05497	14.4
69.03448	0.7
69.06711	0.9
69.07064	11.3
71.08627	1.3
71.43587	0.7
79.05486	9.9
81.07050	26.8
83.08620	3.7
83.11728	0.7
85.10178	0.7
91.05460	9.9
93.07035	19.2
95.04959	2.2
95.08596	35.1
97.10140	2.2
98.97567	2.8
104.08078	0.6
105.07019	25.1
107.08584	24.5
109.10143	21.9
111.11722	1.0
116.98632	1.5
117.07008	4.1
119.08569	23.3
120.08865	0.8
121.02056	1.3
121.02860	13.4
121.10130	16.3
123.11687	5.5
129.06999	1.6
131.08560	11.6
133.06427	0.7
133.10114	18.1
135.11678	12.2
137.13264	1.4
141.06970	0.8
143.08543	2.6
144.09219	0.7
145.10114	18.3
147.11670	17.6
149.13234	14.2
150.13544	0.8
155.08504	1.0
156.09343	0.8
157.10115	2.6
158.10767	0.9
159.11673	17.0
161.13239	20.7
163.14781	6.5
169.10004	1.1
171.11697	3.0
173.13242	13.4
175.14796	10.8
183.11703	2.0
185.13292	1.6
187.11090	0.7
187.14801	13.4
189.16383	1.0
197.13242	1.9
199.14818	2.4
200.15314	0.8
201.12640	0.8
201.16365	17.2
201.18117	1.3
213.16391	1.9
214.17007	1.3
215.18002	5.6
229.19505	2.7
239.17908	3.0
242.20097	0.8
257.08179	0.8
257.19089	8.7
257.22617	100.0
257.30261	34.1
258.19696	0.8
258.22946	3.5
258.27859	1.6
274.97617	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05511	6.1
56.96552	1.7
57.07066	1.5
64.29507	0.8
64.99565	0.8
65.03941	1.3
67.05496	17.4
69.07063	11.0
79.05483	8.8
81.07048	28.1
83.08593	2.4
91.05476	11.1
93.07035	20.6
95.04957	2.7
95.08600	36.0
97.10146	1.9
98.97569	6.0
99.21739	0.8
100.14060	1.0
105.07019	25.4
107.08580	24.6
109.10153	21.4
111.11668	1.8
115.05466	1.2
116.98609	3.6
117.07020	5.0
119.08566	22.0
121.02839	6.3
121.10124	16.1
123.07940	1.1
123.11693	6.4
129.06935	1.1
129.75575	0.8
131.08551	12.3
133.10120	31.6
134.99643	2.3
135.11684	13.4
137.13219	1.1
141.29897	0.8
143.08549	2.6
145.10101	18.3
147.11664	20.0
149.13252	16.3
155.08522	1.7
157.10104	2.9
159.11682	15.7
160.12204	0.9
161.13234	18.0
161.14520	1.5
163.14859	5.9
169.10083	1.3
171.11676	2.5
173.13277	11.8
174.13614	1.0
175.09804	0.9
175.14793	15.0
183.11662	1.9
185.13245	1.0
187.14792	15.3
189.16408	2.4
197.13242	1.6
199.14821	3.7
201.16371	17.0
213.16426	2.0
214.17070	1.9
215.17926	5.4
227.18039	0.9
229.19427	3.3
239.17947	2.9
257.19043	10.7
257.22614	100.0
258.22974	2.4
258.27890	2.8
274.97491	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	257.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.4
55.05510	5.0
57.07072	1.9
57.44903	0.3
65.03923	0.5
67.05499	13.1
69.07063	11.5
69.07445	0.5
70.67017	0.3
71.08614	0.5
71.43417	0.5
79.05491	8.2
81.07052	24.4
83.08621	3.0
91.05469	9.5
93.07041	18.8
94.31898	0.3
95.04978	2.3
95.08601	32.3
96.08893	0.5
97.10166	1.6
103.05453	0.4
105.07021	23.4
107.08585	21.2
108.08983	0.4
109.06541	0.6
109.10149	20.2
111.11718	1.1
117.07011	4.8
119.08573	19.9
120.08887	0.6
121.10137	15.0
122.10541	0.5
123.11702	6.1
129.07004	0.8
130.07796	0.8
131.08565	11.3
131.09570	0.6
133.10124	15.8
134.10416	0.5
135.11687	12.2
137.13248	1.4
141.06929	0.4
142.07800	0.4
143.08565	1.7
144.09302	0.7
145.10118	17.4
146.10481	0.4
147.11670	16.8
149.13243	13.5
155.08633	0.4
156.09332	0.4
157.10109	2.4
158.10837	1.1
159.11684	15.9
160.12146	0.5
161.13254	18.6
162.13622	0.4
163.14813	6.3
169.10095	0.4
171.11696	1.4
172.12354	0.4
173.13255	11.9
174.13710	0.3
175.14815	9.6
177.16408	0.8
183.11755	0.7
185.13275	1.5
185.47913	0.4
186.13947	0.4
187.14801	15.8
188.15417	0.6
189.16408	1.9
197.13216	0.6
199.14803	2.3
201.16373	18.6
202.16669	0.7
213.16402	1.2
214.17010	1.5
215.17944	5.0
229.19469	2.7
239.17900	1.3
242.19946	0.6
257.19229	4.0
257.22623	100.0
258.22879	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	258.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99824	4.0
53.84797	4.9
54.36911	4.4
55.01865	12.7
55.78395	4.8
56.96568	46.2
59.30385	5.0
64.87405	4.8
67.05497	9.9
70.06588	11.8
70.37170	9.9
72.08148	8.2
74.02429	12.3
75.02683	17.3
81.01003	4.7
83.97650	25.7
84.04489	9.5
84.05634	13.6
84.08128	11.6
86.09695	11.4
98.97594	27.2
99.05579	5.2
99.97882	9.2
104.10757	9.0
112.03965	10.7
114.09147	5.4
116.98601	25.1
117.99001	11.0
128.00125	24.7
130.02310	7.7
130.05006	25.6
134.99631	17.9
138.05492	20.5
146.01233	60.2
155.99629	11.7
164.02299	77.8
174.00758	24.5
174.08984	7.5
175.09775	49.5
176.03770	52.2
182.03371	30.1
192.01756	6.3
196.97881	5.6
200.06006	6.8
211.05499	54.3
212.06500	8.2
218.06998	36.0
228.05409	18.5
236.08072	8.7
258.07193	44.8
258.99780	8.0
259.16434	6.1
265.43207	5.8
267.71542	4.8
275.97867	16.2
276.07513	100.0
277.00772	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	258.1102
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
56.05032	0.3
57.03437	0.4
58.06599	0.8
59.07362	0.3
60.08159	9.9
70.81514	0.2
71.07373	2.7
71.95567	0.2
86.09699	19.8
86.18739	0.2
87.10014	0.3
92.07792	0.2
98.98453	3.6
104.10735	100.0
105.11066	0.8
111.23983	0.2
124.99995	24.9
129.11208	0.2
143.01035	0.2
152.34219	0.2
161.68405	0.2
163.55441	0.2
184.07335	9.8
199.03671	0.3
208.29172	0.2
258.10999	15.9
259.11319	0.3
266.18979	0.2
274.31415	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	258.1488
Annotation	(+/-)-gamma-Lycorane
Peak:m/z	Relative Intensity
61.99247	0.3
63.01611	0.3
64.02581	0.3
66.01405	0.3
69.03432	0.7
70.06589	49.8
70.08823	0.3
75.89325	0.3
78.99117	0.3
79.05489	13.7
84.08141	0.6
94.99747	0.3
96.64731	0.3
105.04385	0.3
105.07034	1.0
107.04952	14.8
110.06039	0.5
110.09675	2.5
112.14677	0.3
124.11256	0.4
127.03893	0.9
134.09647	40.9
135.09972	0.7
137.79610	0.3
152.10696	100.0
153.11052	1.7
169.01297	0.4
175.09782	1.0
211.05600	0.7
222.46001	0.3
231.06572	0.4
241.04922	0.4
258.14883	51.4
259.05960	0.7
259.15240	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	258.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25888	0.5
56.96564	15.4
60.05636	1.0
69.03437	2.9
69.98279	1.1
69.98646	0.9
70.06586	8.6
71.06921	0.7
71.95264	1.0
72.08144	1.6
74.00664	0.5
82.06557	0.6
84.04510	2.7
84.08141	10.6
85.02913	1.0
86.06058	0.6
86.09697	4.0
97.02887	4.2
97.07656	1.9
98.06020	0.7
98.97578	100.0
100.02193	11.8
100.97228	0.7
104.10742	6.0
105.11095	0.9
108.04499	0.9
115.03933	0.7
116.07113	0.6
116.98615	77.7
117.98965	0.8
118.98215	0.7
119.01919	1.3
125.00011	1.3
126.05499	1.3
129.10240	4.6
130.04997	0.8
130.06502	0.5
130.08626	1.5
134.99651	42.6
140.00179	1.1
146.02692	11.4
146.99727	0.5
147.11270	1.1
153.00700	4.6
161.02995	0.9
163.97696	0.6
170.02750	0.8
171.09113	1.5
171.10725	0.7
172.10915	0.9
173.10736	1.3
175.07529	1.1
175.09863	0.7
176.03723	1.1
176.10165	0.7
181.06335	0.7
189.10289	0.7
190.12064	0.7
191.11714	1.3
194.05215	0.5
198.07762	2.8
199.07387	4.8
208.02756	1.0
212.05876	0.7
213.06950	3.7
216.08772	3.0
216.98685	0.7
217.08305	5.4
218.06320	1.2
219.02077	0.7
234.11203	0.6
234.99704	1.1
235.10806	0.8
236.94099	0.9
236.98558	0.6
240.10197	1.7
240.98622	4.1
241.09656	3.5
254.95177	1.1
258.09616	1.3
258.14142	0.6
258.99753	59.8
259.07501	3.5
259.10666	2.9
259.99911	1.7
260.19775	0.9
275.44818	0.6
277.00787	70.2
278.01096	2.7
278.03677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86986	1.8
56.96557	12.4
58.19444	1.6
70.63987	4.0
84.08125	1.8
98.97577	100.0
101.00877	5.5
103.41433	1.6
116.98619	47.8
119.01965	9.2
134.99648	13.2
143.01880	4.9
156.97531	5.1
161.02979	11.9
171.01462	2.2
173.02916	2.6
174.98578	7.2
191.04001	3.1
193.10916	1.7
216.99364	2.1
217.01756	1.8
230.93222	2.7
236.94182	7.1
240.98749	2.0
254.95149	3.1
258.91748	2.1
258.97360	2.3
258.99759	48.7
272.94403	3.2
276.98187	1.9
277.00806	53.7
277.03912	2.9
278.00894	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	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	14.5
56.01394	1.9
56.96557	3.2
58.99594	1.2
61.01136	3.3
68.05006	2.3
69.21887	6.4
70.06577	2.3
73.01123	2.1
74.02443	15.6
75.02312	1.6
75.02706	26.2
76.07639	2.5
81.07035	1.1
84.04501	13.4
84.08118	1.9
86.02417	1.1
86.03856	1.4
88.02201	1.5
90.03770	5.1
96.04478	3.2
97.02901	2.8
98.23619	1.1
98.97584	15.5
101.00591	3.6
102.03735	3.4
106.01467	1.2
110.06030	1.5
112.03967	15.0
114.05505	5.1
114.09150	3.0
116.98630	12.8
119.01909	1.3
121.06437	1.3
128.05205	2.4
130.05000	53.6
134.99675	5.8
138.20140	1.2
142.04958	4.5
148.04256	4.6
156.04794	8.7
157.01326	1.2
176.03764	100.0
177.03990	1.6
184.04279	3.6
211.07167	3.3
241.04991	2.2
250.08292	1.1
259.00186	8.8
259.04233	60.9
259.07269	4.0
259.09961	1.9
277.00809	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	259.0601
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
55.01847	1.1
67.01838	1.7
68.99787	19.8
69.35742	2.2
70.06555	0.6
71.01357	3.0
81.03423	2.6
81.07031	0.7
86.07082	0.5
91.05450	1.2
92.99745	2.6
93.07035	1.2
95.04924	0.6
103.05441	1.5
105.06998	1.5
107.04370	0.5
107.04962	6.4
109.02874	13.0
111.00131	0.5
111.00801	5.9
115.05446	2.4
117.06970	1.8
119.04917	2.6
121.02879	5.0
121.06502	18.3
127.01540	1.0
128.06216	2.9
129.07002	4.4
131.04919	3.2
133.06490	4.0
137.02335	11.4
139.00258	47.4
139.05440	2.4
140.00575	0.5
141.06950	1.0
143.04861	1.8
145.06474	4.3
147.04398	11.0
153.01833	0.7
155.05981	0.9
157.01321	14.5
157.06488	30.9
158.06786	1.0
159.04330	0.6
161.06026	3.1
165.01836	58.0
166.02211	1.1
167.04964	3.0
171.04378	4.3
171.05611	1.2
173.06013	1.5
184.05212	0.8
185.05978	28.3
189.05418	0.7
199.03798	1.2
203.06784	0.5
213.05458	20.2
214.05815	0.5
214.94734	0.5
217.04921	1.4
219.94910	0.4
229.05029	0.5
231.06516	79.4
232.06729	2.3
241.04950	100.0
242.05353	2.2
258.20572	0.8
259.06015	68.5
260.06372	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	259.0604
Annotation	Alternariol
Peak:m/z	Relative Intensity
51.98343	1.3
55.01871	2.1
57.07063	2.8
60.00143	1.3
60.13531	1.4
64.95976	1.3
65.46366	1.2
66.27818	1.5
67.01855	17.9
68.99783	24.8
71.01357	7.7
72.08160	1.8
85.02891	9.7
91.05472	18.6
95.04965	5.2
103.05468	11.2
105.03386	23.5
109.02887	1.7
111.00780	1.6
113.02339	3.3
115.05439	22.9
116.06234	1.6
117.07011	45.9
119.04917	2.9
127.05448	1.6
128.06181	8.8
129.01834	2.3
129.03355	7.4
129.06995	25.1
131.04913	20.0
131.08545	1.7
139.05409	12.9
141.06969	34.9
143.04929	5.5
144.05736	7.4
145.06471	34.1
147.04414	6.1
152.06166	3.1
153.06950	2.4
154.99797	2.4
155.04890	3.1
155.06032	7.2
157.01364	1.6
157.06480	20.5
161.05948	3.3
166.27481	2.0
167.04913	23.1
169.06476	14.5
171.04385	17.4
185.05937	17.1
187.07533	16.4
195.04376	15.0
197.05885	8.7
199.04033	1.9
202.21597	4.7
203.06944	5.3
213.05453	36.2
215.07001	15.5
217.04837	2.3
231.06493	28.9
241.04922	4.6
245.04509	2.5
258.27509	6.0
259.05994	100.0
259.25476	8.2
260.06348	2.8
260.25763	1.9
271.93024	1.4
277.07068	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	259.0603
Annotation	Pannorin
Peak:m/z	Relative Intensity
50.01600	0.2
51.02386	0.5
51.60743	0.2
53.03941	0.2
55.44539	0.2
57.03448	0.3
61.44210	0.2
66.99265	0.2
67.05513	0.2
68.99789	6.8
69.03432	0.6
69.77415	0.4
69.77824	0.7
77.03906	0.3
81.03397	0.3
85.02908	0.2
86.09713	0.4
87.00365	0.2
87.00807	1.3
91.05475	1.6
95.04960	0.8
95.08603	0.3
97.02895	0.5
101.02393	0.3
102.04642	0.2
103.05465	27.0
104.05809	0.4
105.04470	0.3
105.07025	1.6
107.04935	0.3
111.00803	0.3
115.05480	0.4
117.07015	0.4
119.03389	0.5
121.06512	0.8
128.06161	0.2
129.01843	0.9
129.07013	0.4
131.04924	100.0
132.05241	1.9
139.00204	0.3
141.06978	0.3
145.06380	0.3
147.04419	0.4
154.99678	0.4
155.04883	0.6
157.02852	0.5
157.06523	0.3
173.00809	0.9
175.03917	1.1
185.06035	0.4
185.09694	0.2
189.05510	0.4
199.03897	7.8
213.05472	1.5
217.04953	7.1
231.06511	1.6
241.04948	12.5
241.67862	0.2
259.02411	0.3
259.02963	0.3
259.05988	5.0
259.09662	0.5
259.13293	0.2
259.16946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01617	1.0
55.01862	12.2
56.01382	1.2
61.01120	2.1
68.05012	2.5
70.55765	1.4
73.01121	2.3
74.02430	15.9
75.02696	28.8
80.05003	1.9
81.07030	1.1
83.06108	0.7
84.04491	13.1
86.02411	1.2
90.03780	3.8
91.02182	1.0
96.04488	2.7
98.06037	0.6
98.97573	1.6
101.00571	5.9
102.03751	2.6
108.04458	1.4
110.06028	1.8
111.05537	5.1
112.03961	14.8
113.41871	0.6
114.05485	2.5
123.17709	0.5
125.07109	2.3
128.05246	3.3
130.04985	54.0
134.02687	1.6
136.03943	0.6
142.04982	4.7
148.04283	4.9
154.95839	0.6
156.04756	8.4
158.02751	0.7
176.03743	100.0
177.04103	1.6
184.04239	4.5
209.12801	0.8
211.07118	2.5
223.14507	0.8
224.17657	0.7
241.15428	4.0
259.07410	4.0
259.16400	1.4
259.21313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.4
56.01395	0.9
61.01133	1.8
62.95585	0.5
63.28786	0.4
67.13857	0.5
68.05019	1.2
69.06599	0.5
70.78265	0.9
73.01138	2.6
74.02441	15.9
75.02700	31.2
76.04007	0.6
80.04999	1.9
84.04017	0.9
84.04498	13.8
86.02396	1.4
88.03970	0.5
90.03777	4.7
91.02198	1.0
96.04482	3.7
101.00581	4.8
102.03771	3.7
108.04451	1.4
110.06013	1.7
111.05533	1.2
112.03957	16.0
114.05532	3.1
116.98562	0.7
125.07086	0.9
128.05299	2.5
130.04994	51.7
131.05313	0.8
134.02711	1.6
136.03937	0.8
142.04968	4.1
148.04269	4.3
156.04750	7.9
165.33820	0.5
176.03752	100.0
177.04132	1.1
184.04306	3.8
197.56566	0.6
211.07114	3.3
241.15511	1.2
259.07495	4.7
259.16599	0.5
265.72888	0.6
275.99847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.9
55.05500	0.9
56.01387	1.0
56.05036	5.6
57.07074	3.0
58.02929	0.5
58.99561	2.2
61.01148	2.9
63.91264	0.5
66.99628	0.5
67.05537	0.5
67.41852	0.5
68.05041	2.5
69.03412	1.1
70.02949	1.1
70.06588	3.0
72.08144	1.5
73.01126	2.4
74.00640	0.8
74.02437	15.1
75.02702	27.9
76.02225	0.5
76.04001	1.1
76.84563	0.5
79.05482	1.7
80.04991	1.4
81.07067	0.8
82.06567	0.6
84.04499	15.8
84.08137	14.9
85.01122	2.0
85.02875	0.7
85.06525	2.4
86.00620	0.9
86.02383	0.6
86.06049	1.0
86.09666	1.2
87.02689	1.4
88.02190	1.3
89.22980	0.5
90.03755	4.4
90.96748	1.3
94.06567	0.5
96.04478	3.7
97.02888	1.3
98.09684	6.4
98.97580	1.3
100.11233	1.7
101.00603	3.9
101.06019	0.9
102.03757	3.1
102.05539	1.9
108.04479	1.3
110.06021	1.9
110.09671	1.4
112.03188	0.7
112.03959	14.4
113.04208	2.3
114.05537	3.4
116.01674	2.5
116.98618	1.0
119.01661	0.6
120.08073	0.7
122.09673	0.7
128.05290	2.7
129.10222	4.9
130.04994	51.0
130.08627	3.6
134.02696	1.4
136.03925	0.6
139.05820	0.6
142.04979	4.3
144.01112	0.9
147.04404	0.9
147.11314	1.0
148.04251	3.5
156.04767	8.5
156.08400	4.8
156.10201	5.5
158.02788	0.7
162.02248	0.6
176.03754	100.0
177.04022	1.0
184.04262	3.2
188.08365	0.9
211.07138	2.1
212.93988	0.5
213.05659	0.8
216.06947	1.3
232.07239	0.6
258.99930	0.5
259.07831	4.3
259.11099	9.4
259.16507	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	259.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58831	0.6
55.01869	11.9
56.01397	1.4
56.96566	1.7
61.01144	2.6
67.05501	1.0
68.05010	2.5
68.99789	1.4
70.05009	1.2
70.05331	0.8
70.06589	1.9
71.01341	2.2
71.02027	0.7
73.01128	1.8
74.02438	14.7
75.02705	28.6
76.07629	2.4
80.05007	1.8
80.06642	0.6
81.07044	0.9
84.04016	1.2
84.04505	15.9
86.02470	0.7
88.02199	0.8
90.03776	4.5
91.05504	1.0
96.04494	3.9
97.02872	1.0
98.97570	8.5
101.00563	4.8
102.01881	0.9
102.03751	3.5
102.05558	0.7
105.03403	1.5
107.08615	0.7
108.04515	0.9
110.06056	1.4
112.03968	15.1
114.05537	3.5
116.98618	7.1
119.01903	5.1
119.04948	1.5
121.06512	6.0
128.05316	2.8
130.05002	55.6
131.01909	1.4
131.04977	2.1
134.02725	1.6
134.99640	3.8
136.03929	0.9
142.04988	4.5
143.01910	3.2
147.01364	0.9
147.04404	8.9
148.04286	4.6
156.04782	8.0
157.01291	5.8
157.06393	1.0
161.02982	4.0
171.01392	1.2
176.03763	100.0
177.04111	1.0
179.53560	0.6
184.04257	3.0
185.05872	1.3
189.02411	2.0
197.02986	1.0
211.07161	2.6
215.03749	0.8
224.16370	1.1
231.06491	2.8
241.04898	2.2
258.99957	4.7
259.03937	1.5
259.07446	3.2
277.00821	5.6
277.03760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
54.23251	3.0
57.03439	23.0
57.62690	3.4
67.05485	3.8
67.60439	3.2
69.03066	6.9
69.03429	100.0
71.04991	5.0
71.43114	4.2
79.05491	4.5
81.03420	28.2
83.04990	5.1
85.02908	45.6
87.04474	25.6
91.05468	8.0
95.04987	4.8
97.02889	88.5
97.03488	4.9
99.04453	19.4
109.02856	5.0
111.04463	4.4
115.03944	32.7
119.04881	3.6
119.44292	3.2
121.06506	5.1
123.04443	10.6
127.03919	8.4
133.04985	12.5
139.03915	3.8
145.04979	6.8
147.04387	7.8
151.03966	5.7
169.05028	8.0
231.06534	4.2
259.07962	20.0
259.16852	5.5
259.20889	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	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01868	2.7
57.03435	3.7
61.02925	0.9
65.03939	0.7
67.05500	1.5
69.03426	84.5
70.03764	1.1
70.27477	1.1
71.01356	1.7
71.04984	2.3
73.02898	3.6
77.03935	0.7
79.05476	1.4
79.24054	0.6
81.03413	11.7
83.01310	0.7
83.04977	2.6
85.02901	15.4
87.04443	1.1
91.05480	1.5
93.07073	0.7
95.04952	2.3
97.02886	100.0
98.03259	1.1
98.23391	0.8
99.04467	6.4
101.02386	1.3
103.03961	1.4
107.04941	1.0
109.02863	7.1
111.04414	2.4
111.97235	0.7
115.03916	2.7
121.06422	0.9
123.04413	2.1
125.02357	2.6
127.03909	15.7
131.04916	0.7
135.04422	1.3
137.02383	0.8
139.03928	1.7
145.04912	3.5
145.11412	0.7
147.04404	1.5
151.03940	1.0
157.04984	0.8
157.06329	0.8
160.73512	0.6
165.01888	1.3
169.04974	1.6
177.05495	1.4
181.04948	0.8
193.04996	2.5
194.07710	0.8
199.05983	1.1
200.88554	0.7
204.11604	0.9
205.04939	0.9
211.05951	0.9
223.06117	1.2
231.06505	1.4
241.04887	1.1
241.07074	2.7
259.05835	1.5
259.08197	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	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01863	3.7
57.03428	23.2
64.50240	3.1
65.03924	3.2
68.99794	3.3
69.03064	6.4
69.03424	95.5
73.02900	3.8
79.05519	3.4
79.42181	3.1
81.03414	20.0
83.04971	3.5
84.04529	3.2
84.31549	2.9
85.02897	38.2
87.04471	42.0
87.87651	3.0
91.05474	14.7
93.07021	3.8
95.04980	5.7
97.02264	4.9
97.02888	100.0
99.04462	17.2
105.07022	5.5
107.04958	3.7
111.04420	7.7
115.03938	43.3
115.05451	2.9
118.94043	2.8
119.08600	3.3
123.04415	10.4
127.03912	10.6
129.06993	3.7
131.04926	10.2
133.04984	23.5
135.04422	3.9
147.04385	5.8
157.06404	6.6
169.04958	7.1
185.09566	4.1
228.40984	3.2
231.06563	4.4
241.04953	5.4
259.02502	4.8
259.05905	9.9
259.08124	10.1
259.13519	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	259.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.5
56.05017	0.9
58.99553	0.7
59.05001	4.3
61.55239	0.9
69.03447	0.8
69.07069	1.8
70.06580	3.4
72.08151	1.2
75.99585	0.6
79.65097	0.7
84.04508	0.8
84.08121	4.1
86.06014	0.7
86.09686	2.1
87.04459	1.0
89.06021	100.0
90.06349	1.0
96.78575	0.8
97.02848	1.1
97.07643	1.7
98.09674	1.6
98.97573	2.3
103.07561	1.7
107.07052	2.1
113.00007	2.1
114.09153	8.5
115.03905	0.8
116.98602	1.6
121.06538	0.9
127.01554	42.1
127.03891	1.2
129.04831	2.4
129.10243	0.8
130.08626	1.2
133.08592	41.7
134.99638	1.7
138.02757	1.3
147.04431	1.4
153.03084	4.8
155.77831	0.7
156.08461	1.3
157.07597	1.0
176.03807	1.4
193.89063	0.9
211.16905	0.7
214.14420	2.1
258.99850	1.2
259.05826	1.0
259.09137	1.4
259.11609	2.7
259.16940	1.1
277.00824	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	259.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.0
56.96562	1.2
59.05005	5.4
69.03437	0.9
69.07066	2.4
70.06597	3.9
72.08132	1.8
84.08144	3.9
86.09694	2.1
87.04455	0.9
89.06027	100.0
90.06364	1.0
97.02862	1.2
97.07648	2.1
98.09687	1.8
98.97589	2.2
103.07569	1.9
107.07069	2.4
111.04458	1.5
112.11230	0.8
113.00001	1.2
114.05533	1.0
114.09163	8.4
115.03906	1.3
116.98627	2.9
121.06490	1.1
127.01559	42.3
128.07037	1.0
128.70541	0.7
129.04813	1.8
130.05028	0.9
130.06624	0.7
132.40849	0.7
133.08597	47.2
138.02669	1.7
139.01503	1.1
139.02763	1.0
147.04407	1.3
153.03099	6.0
156.08437	1.2
156.10262	1.2
157.07582	1.6
159.09145	1.5
176.03719	1.3
197.05757	0.8
214.14375	1.7
258.99750	1.4
259.11459	3.1
259.16730	1.0
277.00876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05500	5.8
56.51411	0.8
57.03422	0.9
57.07066	2.6
59.04985	0.9
67.05497	9.5
68.99782	5.7
69.07066	8.7
69.44311	4.2
70.64358	0.8
71.04985	2.2
79.05482	10.2
81.07050	19.5
83.08607	3.0
85.06543	2.7
87.00832	1.5
91.05465	6.6
93.07038	17.7
95.04959	5.8
95.08600	28.8
97.06520	5.5
97.10157	1.4
99.08080	1.5
104.44353	0.9
105.07018	22.3
105.97250	0.9
107.08589	23.6
109.05860	0.8
109.06502	4.9
109.10143	14.3
111.08059	3.7
113.09631	3.1
117.07003	2.3
119.08573	20.0
121.06467	2.1
121.10139	16.9
123.08050	4.2
123.11686	4.7
125.09584	1.4
129.01828	29.9
129.06947	1.0
131.08551	7.1
133.09172	1.4
133.10124	15.5
134.15599	0.9
135.08043	3.8
135.11667	10.1
137.09642	1.8
137.13225	1.4
142.07816	1.6
143.08531	6.7
144.09282	1.1
145.10109	15.7
147.11671	12.7
149.09587	5.3
149.13257	5.0
151.11154	3.3
156.09315	1.8
157.10110	10.6
158.11011	1.0
159.11674	14.9
161.09630	2.1
161.13243	10.8
163.11162	3.2
163.14832	3.9
165.12801	2.0
170.10913	1.2
171.11688	10.3
173.13264	7.8
175.11166	1.7
175.14812	7.4
177.12787	2.1
185.08075	3.4
185.13266	11.0
187.14827	3.8
189.12721	3.1
189.16344	2.3
199.14799	9.4
201.16376	13.7
203.14301	2.4
203.18044	2.1
213.16383	3.9
215.17941	2.7
217.15857	1.5
231.20981	4.4
241.19502	28.3
242.19826	1.3
253.56128	1.0
259.20560	100.0
260.20859	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05497	4.6
57.07059	2.1
65.26129	1.0
66.83951	1.1
67.05482	3.1
69.07066	15.1
69.29098	5.7
71.04991	11.2
79.05474	2.3
81.07058	7.4
83.04962	1.6
83.08612	5.5
85.06539	17.4
91.05453	2.5
93.07037	6.3
95.04937	2.2
95.08601	10.5
97.06522	2.1
99.08094	1.6
105.07008	8.0
107.08567	10.9
109.06500	3.5
109.10143	6.8
111.08057	5.1
117.06999	3.0
118.44290	1.1
119.08579	25.8
121.10109	8.1
123.08061	2.0
123.11692	19.5
131.08569	6.4
133.10110	16.3
135.08052	8.5
135.11679	4.4
137.09630	3.3
143.08569	3.2
145.10103	17.6
147.11653	9.2
149.06703	1.3
149.09601	1.9
151.11133	2.3
157.10124	8.1
159.11681	21.7
160.12454	1.5
161.13248	16.8
163.11157	3.8
163.14816	1.3
171.11682	13.2
173.13234	6.7
175.11241	3.3
175.14807	73.8
176.15500	4.4
177.12775	3.5
177.16356	4.2
185.13234	14.0
189.12683	3.9
189.16367	3.5
190.13596	1.8
199.14752	4.0
201.16382	22.4
203.14284	8.2
213.16423	1.5
215.17921	3.7
217.19476	4.4
235.06815	1.4
241.19502	15.5
259.20554	100.0
260.20914	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
54.46429	0.9
55.01861	3.5
55.05294	1.1
55.05511	12.4
57.07074	6.5
67.05158	1.7
67.05501	21.7
69.03434	1.0
69.07063	9.7
70.70303	1.8
71.04976	1.8
71.08626	14.2
75.10804	0.9
79.05489	17.5
79.90456	1.1
80.14301	1.0
81.03394	1.3
81.07054	22.9
83.04986	2.2
83.08613	7.0
91.05476	32.9
93.07035	12.8
95.04970	3.0
95.08020	1.5
95.08604	17.1
97.06527	6.2
99.08080	12.1
103.05473	2.7
105.04536	1.2
105.07026	72.4
106.07380	1.4
106.08667	1.4
107.04973	4.5
107.08581	8.6
109.06516	2.3
109.10155	4.1
111.08076	3.9
115.05431	3.2
117.07017	27.7
117.94737	1.0
119.08578	19.2
121.06499	3.0
121.10133	6.2
123.08050	2.3
128.06212	6.6
129.07002	18.4
130.07805	1.2
131.08563	21.6
133.06461	3.2
133.10132	17.0
135.08043	4.1
135.11690	4.2
141.07021	1.2
141.12738	1.3
142.07750	2.5
143.08556	32.4
145.10121	32.7
146.10515	1.0
147.08052	3.3
147.11674	32.6
149.09608	2.0
149.13231	2.0
151.11162	1.2
157.10121	14.1
159.11699	12.2
161.09616	3.7
161.13245	34.4
162.67749	1.0
163.11169	4.3
163.14899	1.5
165.12738	1.2
169.10123	1.5
171.11659	16.7
173.13257	19.0
175.11179	7.0
175.14807	10.4
177.12814	5.0
185.13246	18.8
187.14816	3.2
189.12750	7.2
189.16267	1.1
191.14368	1.4
199.14781	14.3
203.14334	3.0
213.16238	1.3
215.17970	2.2
217.15790	1.1
231.17386	1.1
231.21065	3.9
241.19489	35.4
241.21857	1.9
259.20569	100.0
260.20792	2.2
260.25803	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55632	0.8
55.05259	1.2
55.05507	16.0
57.07074	5.5
67.05176	0.9
67.05503	17.6
68.99773	3.6
69.07065	29.1
71.08626	2.0
79.05486	9.2
80.55110	0.8
81.07050	46.6
83.04955	0.8
83.08609	10.4
91.05471	8.9
93.07035	29.1
95.04955	5.3
95.08595	57.5
96.08923	1.2
96.88493	0.8
97.10162	7.8
105.04554	0.9
105.07017	19.5
107.08585	40.2
108.08875	1.1
109.06522	2.5
109.10143	38.7
109.10892	1.9
111.11701	5.4
117.06966	1.0
119.08575	20.8
121.10130	33.2
123.11691	23.9
123.12392	0.7
129.01819	18.2
133.10117	14.0
135.10658	0.9
135.11688	28.2
137.13248	10.7
145.10132	2.6
147.11676	15.1
149.13243	33.4
151.14812	3.8
161.13243	16.6
163.14809	29.4
173.13292	1.7
175.14793	17.7
177.16389	14.2
178.16510	0.9
185.08063	2.4
185.13275	1.0
189.16371	18.6
194.44992	0.9
198.57463	0.9
203.17932	20.8
211.45122	0.8
217.19502	4.5
230.68231	0.9
241.19524	2.6
247.12631	0.9
259.20743	5.4
259.24188	100.0
260.24515	3.7
276.93002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56208	0.9
55.05506	19.1
57.07069	7.1
60.39114	0.9
65.03928	1.3
67.05163	1.7
67.05498	24.1
68.05822	0.9
69.07062	34.4
69.36853	3.7
71.08615	2.7
75.57234	1.0
77.03881	1.0
77.38749	0.9
79.05486	14.2
81.07050	56.1
83.08604	10.8
91.05460	10.3
93.06447	1.6
93.07035	34.9
95.04962	5.8
95.08597	64.5
96.08905	1.4
97.10162	10.6
98.23478	1.9
99.61729	1.1
105.04505	1.0
105.07028	25.0
107.08583	48.8
109.06520	1.5
109.10146	45.5
111.04389	1.0
111.11703	4.2
117.07021	1.6
119.08571	25.3
121.10133	40.4
123.11700	24.3
131.08557	3.0
133.10124	17.0
135.08012	1.2
135.11676	32.4
137.13248	10.7
143.08488	1.5
145.10132	5.1
147.11671	20.7
149.13240	39.2
151.14819	3.2
157.10095	1.5
159.11705	4.4
161.13243	20.3
163.14801	31.7
171.11688	2.0
173.13277	1.7
175.14810	25.2
177.16364	12.6
185.13196	2.5
189.16371	21.5
191.17966	1.1
199.14827	1.6
201.16476	1.6
203.17941	21.3
215.17867	1.5
217.19466	5.8
231.20990	1.4
241.19496	2.9
259.20642	10.2
259.24191	100.0
260.24463	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	260.1605
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
53.87563	0.8
55.51473	1.0
56.05026	9.7
56.96552	2.8
65.23260	1.0
67.05506	1.4
69.07062	3.4
70.06586	7.4
70.23483	1.7
72.08152	5.0
79.79735	0.9
83.06097	68.2
84.04498	97.2
84.08134	84.9
85.02894	1.5
85.08474	1.0
86.09697	100.0
93.48389	1.2
97.22391	1.1
97.71375	1.1
98.97584	10.2
101.07120	8.5
101.10771	3.2
102.05498	1.1
104.94549	1.1
116.32763	0.9
116.98604	8.6
120.08029	1.9
125.73007	1.1
129.06596	6.6
129.10236	16.8
130.08630	12.8
132.10196	36.2
134.99651	4.9
138.58867	1.2
141.06534	2.9
144.06577	2.8
144.10216	1.3
147.11269	18.3
157.13347	5.6
161.09193	3.5
171.01067	1.3
172.04330	1.2
196.14432	10.4
197.12830	40.8
218.93068	1.4
225.12354	3.8
236.98576	1.4
237.04010	1.0
242.14973	82.8
243.13348	36.8
243.17166	4.9
259.99829	3.7
260.16226	3.1
260.19681	15.2
261.02643	1.3
278.00836	2.1
278.96936	1.6
279.00439	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	260.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69636	0.3
55.05516	0.4
56.05027	2.6
56.96571	2.8
58.06584	0.4
60.05654	0.4
67.05495	0.7
69.07060	1.0
69.70742	1.0
70.06584	5.4
72.08154	2.8
74.02457	0.3
77.86410	0.2
81.03402	0.4
84.04504	2.1
84.08138	100.0
85.02890	0.4
85.06503	0.3
85.08474	1.1
86.06067	0.4
86.09699	21.8
94.67449	0.3
95.06083	0.4
97.07641	1.0
98.97580	11.2
99.97914	1.0
101.00893	0.8
101.10770	2.7
102.09176	0.5
104.05346	0.4
111.09167	0.3
112.07620	0.7
116.97768	0.5
116.98611	9.4
117.98985	0.6
119.01904	2.6
121.01649	0.4
129.10231	15.9
130.05006	2.3
130.08635	10.8
131.01947	0.3
132.10153	0.5
134.99661	4.5
135.99971	0.4
137.02901	0.5
140.00201	0.3
143.11774	0.5
144.10201	1.2
146.02678	0.4
147.03111	0.4
147.07664	2.1
147.11278	16.2
148.06041	0.9
150.22830	0.3
153.00696	0.3
156.97456	1.3
161.12801	1.1
165.96834	0.3
169.09488	0.4
171.11037	0.3
174.98616	0.6
177.00906	2.0
177.04239	0.4
178.02528	0.4
180.13884	0.3
189.11931	0.5
195.05304	0.4
197.08905	0.3
197.16508	0.8
200.05165	1.3
215.09862	0.5
217.04057	0.6
217.98242	0.8
218.06223	5.5
218.08525	0.6
218.93121	0.3
219.01947	2.7
225.16017	0.4
226.14549	0.3
236.94070	2.6
236.98637	2.6
237.98656	0.3
241.98901	0.3
242.07368	0.7
242.18639	1.5
243.02020	1.8
243.17009	6.9
254.95091	3.0
259.99896	5.1
260.08255	1.7
260.19675	17.3
260.99655	1.9
261.03055	15.1
261.05670	1.2
261.09094	0.5
263.03409	0.3
278.00980	5.9
278.97339	0.4
279.00549	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	260.1969
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.05501	0.6
56.05028	3.1
56.96328	0.3
56.96552	1.8
67.05490	0.9
69.07053	1.1
69.92181	0.3
69.98481	0.7
69.98856	0.5
70.06604	1.9
72.08148	3.9
82.06557	0.3
83.06097	0.3
84.04501	5.6
84.08138	100.0
85.06535	1.6
85.08484	0.9
86.09700	24.6
87.10016	0.4
95.04924	0.3
97.06516	0.3
98.97572	4.2
100.07654	0.4
101.07114	0.6
101.10773	3.3
102.05550	0.4
102.09167	0.6
102.96832	0.4
112.07623	0.4
116.98626	2.8
119.01905	0.7
129.10231	17.3
130.04990	9.0
130.08624	7.3
131.11780	0.4
132.10185	0.6
143.11789	1.2
144.10197	1.6
147.03133	0.3
147.07634	11.3
147.11270	11.8
148.06035	1.3
161.12859	1.3
171.11295	0.5
174.07915	0.5
177.00893	0.5
194.05270	0.6
197.16492	0.8
200.05081	0.3
206.07082	0.3
208.97754	0.3
210.08669	0.5
216.00247	0.3
217.98351	0.5
218.06256	0.7
219.01987	0.7
224.07957	0.4
225.15881	0.6
226.10683	0.3
242.18608	1.4
243.13306	0.5
243.17010	6.8
259.99979	1.5
260.11710	0.4
260.16138	1.6
260.19678	16.8
260.99710	0.3
261.03021	2.4
261.05804	2.5
261.09113	0.3
261.14484	0.4
261.19940	0.4
278.00870	1.5
279.00525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50620	0.4
63.00022	9.7
67.78747	0.5
69.41844	1.8
69.42248	0.9
78.99490	3.1
81.01050	2.3
84.08107	0.6
93.01045	100.0
98.06089	0.6
111.02077	1.9
113.00010	2.1
121.00501	7.9
126.05481	0.6
127.01553	66.1
128.70627	0.6
130.49185	0.4
135.02052	14.2
141.03108	4.8
154.60936	0.5
158.91681	0.5
168.50893	0.5
186.99185	44.9
196.97629	4.2
202.98695	1.2
219.01790	16.4
229.00221	9.8
257.63309	0.6
261.02872	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	261.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.96553	1.3
60.05624	0.4
69.75481	0.9
70.06591	5.4
71.04978	0.7
71.06937	0.5
72.08138	0.6
77.69260	0.3
82.99868	0.4
84.08133	0.6
96.04491	0.6
97.07645	0.9
98.06062	1.7
98.22759	0.6
98.97579	7.1
101.00876	2.8
102.96843	0.3
103.01740	0.3
104.03448	0.6
110.07069	0.3
112.08704	0.9
112.63710	0.3
114.05521	0.5
116.03430	1.4
116.98608	5.4
119.01920	7.8
134.34340	0.3
134.99678	2.5
137.02937	1.5
140.98793	0.4
145.01682	0.3
156.06563	1.0
157.10863	0.7
158.08078	2.0
158.99828	1.5
177.00943	14.9
178.01051	0.9
182.99820	0.6
193.03877	0.3
195.01921	0.3
200.07819	0.4
201.00935	1.7
201.05406	0.4
201.08441	0.3
201.10042	0.3
202.07098	1.2
217.04079	2.8
217.12943	0.4
219.01987	20.0
219.06299	1.7
220.02141	1.3
225.00839	2.2
237.98636	0.3
242.03699	0.3
243.01976	10.9
243.07327	0.4
243.10019	0.3
244.02190	0.7
261.03052	100.0
261.11865	6.6
262.03195	6.1
279.00604	4.3
284.04691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0581
Annotation	Suprofen
Peak:m/z	Relative Intensity
54.44149	0.9
62.98249	1.2
69.34412	5.1
70.06586	1.4
96.92229	6.6
101.35534	1.0
104.10712	1.2
118.97183	13.5
119.01962	1.0
169.01086	3.9
171.02615	1.5
178.94562	2.8
178.97044	1.1
201.03697	4.1
211.02054	1.1
218.97321	4.6
229.03174	32.0
229.06706	2.0
243.02298	1.5
243.04730	7.5
261.03235	5.3
261.05798	100.0
261.09073	4.3
261.11826	2.1
262.06070	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.076
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
56.99759	0.1
67.01864	1.2
68.99792	1.6
69.03436	0.7
69.40789	0.8
71.01353	11.3
76.23450	0.2
77.03947	0.1
91.05463	0.5
95.01320	1.3
95.04933	0.3
98.22675	0.3
99.00807	0.7
100.23039	0.1
103.05463	3.3
105.03391	3.2
105.72915	0.2
105.91584	0.1
107.04971	0.8
113.02366	6.5
119.04939	0.4
123.00755	0.2
127.00284	1.0
131.03445	0.2
131.04942	1.6
135.04414	1.3
141.07014	1.2
145.01318	1.9
147.04407	2.8
155.04849	0.2
173.05968	0.6
175.03946	0.5
187.03954	0.3
187.07376	0.2
197.05963	6.4
203.03513	0.1
215.07022	100.0
216.07367	2.4
231.06596	0.9
233.04370	0.2
243.06508	4.0
261.07587	9.4
262.07703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1121
Annotation	Eminensin A
Peak:m/z	Relative Intensity
51.41071	0.5
53.03943	0.6
55.01870	1.0
55.05500	0.8
57.03441	1.3
57.75119	0.4
69.03425	100.0
70.03759	0.6
71.01343	0.5
71.04991	1.0
71.19144	0.7
73.02903	1.0
73.58250	0.5
76.80222	0.5
77.03957	0.6
79.05499	1.3
81.03406	1.5
82.55434	0.5
83.04963	2.7
85.02926	2.9
91.05480	7.9
95.04942	3.2
95.08636	0.5
97.02900	1.4
99.04418	0.9
103.05458	38.7
105.03396	1.4
105.07023	2.5
107.04933	1.4
111.04448	3.0
113.05997	1.7
114.64079	0.5
115.03942	0.7
115.05466	2.2
117.07018	1.8
119.04940	4.7
120.05748	1.6
121.06470	0.7
122.03649	0.6
127.00281	1.3
128.06274	0.9
129.07004	3.2
131.04918	48.5
131.08575	2.0
135.04424	1.5
135.08041	11.2
136.05132	0.7
137.05957	7.9
141.07010	2.0
142.07759	2.0
143.04951	1.0
144.05656	0.7
145.01337	1.9
145.06432	2.4
145.10135	1.6
146.03653	0.9
147.04407	2.3
147.08057	0.6
149.05965	3.3
151.07529	5.6
153.06952	1.2
155.08556	4.1
157.06468	2.5
157.10092	1.0
158.07275	1.4
159.08043	3.1
160.05228	3.1
161.05980	3.2
162.06786	0.8
163.07529	73.7
164.04694	1.8
164.08008	1.7
165.06989	1.2
168.05701	0.7
169.06401	0.9
171.04399	0.5
171.08073	0.7
173.05948	0.9
173.09557	2.4
174.06819	3.0
175.07524	3.7
176.08350	1.1
177.05467	3.2
177.09036	1.2
178.06256	1.0
179.07018	39.8
180.07289	1.0
182.07207	0.7
183.08064	5.2
185.05971	1.5
185.09648	1.5
186.06761	0.7
187.03899	1.3
187.07550	3.2
187.11189	0.8
188.08344	1.2
189.09099	5.2
191.07057	0.9
191.10696	1.0
199.07596	0.6
200.08334	1.9
201.09079	4.3
203.07014	12.6
203.10130	0.7
204.07745	0.8
205.08687	1.0
205.12282	1.1
211.07561	4.0
215.07039	0.7
215.10664	4.3
217.08690	1.0
217.12143	0.8
218.09346	0.8
219.06590	1.0
219.10197	2.9
224.23141	0.6
225.09207	1.4
227.51141	0.6
228.07800	0.8
229.08679	1.0
231.10172	0.7
233.11754	7.2
243.08234	0.5
243.10251	5.0
261.11230	39.5
262.11557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1122
Annotation	Eminensin A
Peak:m/z	Relative Intensity
67.05544	0.8
69.03430	100.0
69.49996	2.1
69.50406	1.4
70.03776	0.7
79.05499	1.5
80.36689	0.6
83.04996	0.7
85.02923	1.1
86.49742	0.7
91.05497	4.8
95.04973	1.2
103.05467	36.8
105.07041	1.6
107.04974	0.8
111.04453	1.3
115.05463	1.5
117.07046	0.9
119.04918	2.5
120.05713	1.1
121.06477	0.6
128.06233	0.6
129.07010	2.9
130.07770	0.7
131.04933	43.8
131.08569	1.0
131.23466	0.6
135.04332	0.6
135.08049	9.7
137.05977	5.9
141.07034	0.9
142.07736	0.7
143.04912	0.8
144.05687	0.9
145.01231	0.7
145.06491	1.3
145.10101	1.0
147.04376	1.8
149.05997	2.7
151.07500	3.5
153.07013	0.8
154.07755	0.8
155.08531	3.7
157.06502	1.7
159.08058	1.9
160.05170	2.4
161.05974	2.2
163.07544	64.9
164.04646	1.7
164.07922	1.0
165.05580	0.6
165.06996	2.0
168.05650	0.9
169.06473	1.2
170.00671	0.7
171.08043	0.8
173.05998	0.7
173.09627	1.5
174.06770	2.2
175.07565	2.6
177.05493	2.1
177.09149	1.0
179.07031	29.8
182.07320	0.7
183.08070	3.2
185.05978	1.3
187.07512	2.2
188.08316	1.1
189.09094	3.5
191.07013	0.6
191.10735	0.9
199.07523	0.8
200.08339	1.7
201.09064	3.3
203.07034	9.1
204.07739	1.0
205.08679	0.9
205.12334	1.2
210.73894	0.6
211.07544	2.6
215.10677	3.1
219.10132	2.2
225.08949	1.0
228.07893	1.5
229.08646	0.8
233.11682	4.0
243.10184	4.0
248.36578	0.6
261.11218	34.4
262.11572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1446
Annotation	Glu Leu
Peak:m/z	Relative Intensity
56.05033	6.7
56.96566	2.2
67.05500	1.0
69.07056	1.3
70.06580	2.2
70.24223	2.1
72.08155	6.9
73.06535	1.0
78.33200	0.8
81.03394	1.1
84.04499	100.0
84.08133	9.0
85.02891	2.2
85.08471	3.6
86.09699	89.0
87.10021	2.9
98.97593	5.3
98.98437	0.8
102.05533	17.0
110.94814	0.9
113.07197	0.8
116.98648	4.1
120.23515	0.9
129.06577	3.1
129.10213	2.4
130.04976	1.4
130.08630	2.0
132.10191	49.8
134.99623	1.5
141.06570	3.7
142.23689	0.9
144.06500	1.1
147.11287	2.1
162.07611	2.0
178.03249	1.9
190.07623	1.5
197.12842	53.7
225.12263	5.2
229.10013	1.6
233.09648	2.0
243.13370	46.0
261.05762	1.9
261.09201	0.9
261.12695	1.8
261.19589	3.7
278.97009	1.7
279.00488	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	1.7
55.01868	1.1
55.05507	14.6
56.43362	0.8
57.03411	0.9
57.07061	3.3
63.88354	0.7
65.03950	0.9
67.05501	41.8
69.03429	1.0
69.07065	13.3
71.04977	2.6
71.08614	1.5
71.86302	0.7
77.03905	1.5
79.05489	59.7
81.07053	47.0
83.04955	0.9
83.08617	7.5
85.06539	3.1
91.05473	28.3
93.07039	73.9
94.07358	1.1
95.04974	5.3
95.08599	31.5
97.06509	3.1
97.10160	2.6
99.08087	2.4
105.04499	2.3
105.07025	19.3
107.08587	47.4
109.06518	2.8
109.10152	15.4
111.08066	2.6
113.09632	1.5
115.05385	0.8
117.07005	7.2
119.08567	14.7
121.10135	40.3
123.08079	1.0
123.11687	4.9
125.09583	0.8
129.07001	1.4
130.07713	0.7
131.08563	16.4
133.10115	12.3
135.08044	1.1
135.11684	38.2
137.09624	1.9
137.13208	1.5
143.08565	2.1
144.09309	0.8
145.10123	14.7
147.11662	9.9
149.09692	0.9
149.12103	1.6
149.13246	24.6
151.11105	1.4
151.14822	0.9
157.10097	1.7
159.11681	10.5
161.13228	10.6
163.14801	15.6
164.15105	0.7
165.12840	1.6
173.13242	11.0
175.14761	5.2
177.16394	3.8
177.90587	0.7
179.14279	1.6
187.14783	7.3
189.16475	0.9
201.12685	2.6
201.16357	1.4
205.15865	1.2
215.17966	1.0
217.19360	0.8
219.17432	0.8
233.22682	1.1
243.18587	1.4
243.21063	24.1
261.22116	100.0
262.22501	2.8
274.02280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05256	1.0
55.05507	14.5
57.03420	1.3
57.07069	4.0
59.62072	0.6
65.03916	1.1
67.05500	41.7
69.06714	0.8
69.07067	11.8
71.04967	2.4
71.08607	1.5
77.03918	2.3
79.05487	61.7
81.07052	45.4
83.04967	1.4
83.08613	6.4
85.06543	3.5
91.05472	30.3
92.45679	0.6
93.07038	76.5
93.91444	0.6
95.04962	6.3
95.08601	32.6
97.06517	2.7
97.10177	3.1
98.22620	1.4
99.08089	3.0
105.04507	3.1
105.06342	1.3
105.07021	18.8
107.08587	47.8
109.06487	1.9
109.10148	12.1
111.08069	2.6
113.09610	1.0
115.70993	0.6
117.07014	6.5
119.06071	0.8
119.08575	16.8
121.10139	39.5
123.08080	1.3
123.11691	5.0
125.09630	0.7
131.08565	13.4
133.10123	13.2
135.11684	33.6
137.09570	1.3
137.13249	1.6
145.10112	13.8
147.11678	8.7
147.97348	0.7
149.13231	22.7
151.11128	1.4
159.11687	8.6
161.13248	12.3
163.11049	0.7
163.14810	14.6
171.11778	0.6
173.13246	9.8
175.14835	4.4
177.16391	3.0
179.14261	1.1
187.14801	6.4
189.16226	0.7
191.14172	1.0
193.15843	0.7
201.16342	2.6
215.17979	1.9
226.09720	0.8
233.22685	0.8
243.21080	22.8
244.10915	0.8
244.21396	0.8
261.22119	100.0
262.22525	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02376	0.7
53.03932	1.4
55.01833	0.6
55.05503	13.1
57.03419	1.6
57.07072	3.3
63.42278	0.6
65.03907	1.5
65.68547	0.8
66.74496	0.6
67.05499	41.5
69.06707	1.0
69.07061	12.2
69.28617	1.3
69.29003	2.1
71.04976	1.8
71.08604	0.7
77.03922	2.6
79.05485	60.9
81.07050	51.0
83.04993	1.1
83.08620	7.0
84.82651	0.6
85.06538	3.9
91.05472	26.6
93.07037	77.5
95.04962	7.4
95.08597	35.8
97.06517	3.4
97.10155	2.9
99.08086	2.7
105.04511	2.5
105.07018	19.4
107.08585	49.0
109.06509	2.5
109.10141	15.1
111.08083	4.1
111.11628	0.6
113.09658	1.0
117.06979	6.3
119.06092	0.8
119.08566	16.6
121.10133	43.4
122.10454	0.9
123.08044	1.1
123.11716	4.6
125.09613	1.3
131.07559	0.6
131.08549	15.3
133.10112	14.1
135.11681	38.0
136.12030	0.8
137.09555	1.2
137.13252	1.4
139.11136	0.9
145.10117	12.6
147.11681	10.8
149.09601	1.2
149.13239	27.4
150.41756	0.7
150.89082	0.8
159.11665	9.4
161.13242	11.8
163.11182	1.1
163.14798	16.3
165.12721	1.6
173.13258	11.0
175.14810	5.2
177.12758	1.4
177.16319	4.1
179.14250	0.9
187.14769	7.5
189.16374	1.2
201.16319	3.3
205.15915	1.0
215.18002	1.9
219.17471	1.0
233.22578	1.3
243.21068	28.2
261.22107	100.0
262.22388	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
54.68868	0.9
55.05508	11.9
57.03440	1.5
57.07069	4.8
65.03925	1.5
67.05502	36.4
67.90910	1.0
68.99776	1.3
69.07061	11.2
69.23579	4.6
69.23981	1.8
71.04978	2.9
71.08627	1.6
77.03928	1.9
79.05490	54.5
81.07053	43.4
82.07355	1.3
83.04955	1.1
83.08632	6.8
85.06532	2.9
91.05479	24.9
93.07042	65.9
95.04980	6.8
95.08603	29.8
97.06519	2.7
97.10152	3.2
99.08110	3.4
102.04665	1.8
103.05505	1.4
105.04512	2.2
105.07023	17.7
107.04946	1.4
107.08590	42.6
109.06530	2.2
109.10165	13.1
111.08041	2.7
117.07028	6.2
119.08575	14.0
121.09265	2.2
121.10138	40.3
123.08008	1.8
123.11703	4.6
125.09644	1.7
127.11195	1.0
131.04929	1.5
131.08568	12.6
133.06421	1.0
133.07515	0.9
133.10115	11.6
135.04459	1.4
135.11691	30.8
137.13277	1.5
145.01305	1.7
145.10115	11.1
147.04424	1.5
147.11678	11.3
149.13252	25.5
159.11711	9.8
161.13240	12.7
163.11169	1.4
163.14806	18.4
173.13242	8.6
175.03931	2.7
175.14835	3.2
176.55003	1.0
177.16367	3.4
179.14255	1.5
187.14798	6.2
188.04689	1.8
201.16380	3.1
205.15860	1.2
215.18021	1.1
216.04155	1.1
233.04358	1.6
233.22591	1.4
243.21059	25.7
261.03940	4.0
261.22125	100.0
262.22479	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	262.2378
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
51.43154	0.4
55.05485	0.5
57.06813	0.8
57.07069	8.0
57.75033	0.4
58.06589	2.3
70.06586	20.7
71.08626	5.6
72.08135	0.5
85.99409	0.4
88.07624	28.8
97.43845	0.4
98.23454	1.0
102.09173	17.0
104.99271	1.2
132.10216	0.9
146.11743	1.2
147.08006	0.4
150.11279	0.8
156.17473	1.3
176.14230	0.6
181.17712	0.4
181.41666	0.4
200.20078	54.3
201.20445	1.1
241.85303	0.4
244.22655	2.8
262.23746	100.0
263.24063	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	262.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79258	0.2
55.05504	0.4
56.05029	0.3
57.07071	8.0
58.06601	1.8
69.07063	0.3
69.87200	1.0
70.06589	18.4
71.08631	4.0
72.08140	0.6
82.83082	0.3
84.08162	0.4
85.74147	0.2
88.07626	25.1
98.22706	0.3
102.09175	15.1
132.10187	0.9
146.11766	0.9
150.11221	0.4
152.38800	0.3
156.17470	1.3
174.18512	0.5
185.16936	0.3
200.20087	51.3
201.20439	0.8
244.22739	3.1
262.23755	100.0
263.24060	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	262.9778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31480	2.3
66.62854	2.0
73.02941	2.2
74.36944	2.2
85.02918	2.4
89.59001	2.4
96.68417	1.8
98.91961	7.4
100.21960	1.9
101.00876	14.7
104.10715	12.1
104.99268	65.2
113.00861	2.7
118.97240	2.6
119.01915	18.1
120.96662	3.7
125.58842	2.2
131.01939	7.6
143.01883	25.3
145.03392	2.7
155.01967	4.7
157.03465	3.4
161.02940	40.4
164.67134	2.0
164.93036	3.0
170.37941	2.1
173.02948	11.9
180.90443	25.5
185.02953	4.1
191.04048	3.2
203.03952	10.8
245.05190	4.8
263.02896	6.2
263.07443	100.0
263.13510	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	263.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.7
55.01868	35.0
56.05035	0.6
57.07068	0.6
57.98804	0.7
58.99582	12.2
58.99864	0.9
59.01094	0.5
59.01380	1.4
59.04997	0.7
61.01146	2.6
62.99080	0.8
69.15860	0.4
69.64462	1.2
71.04980	1.9
71.12266	0.5
74.01919	0.9
74.06070	0.7
74.99064	1.9
75.02722	3.3
75.04475	93.5
76.04798	0.5
78.96777	1.4
84.97473	2.8
85.02895	5.9
86.99048	16.8
88.07623	1.7
89.00610	37.5
89.95979	0.5
90.96760	1.5
93.07038	0.6
95.48567	0.5
98.22758	0.9
101.02382	1.3
101.06010	45.6
102.06366	0.8
103.03943	7.0
104.99263	14.8
105.06990	0.5
107.01645	40.8
107.08614	0.8
113.02357	12.9
115.97549	0.5
117.00069	100.0
117.95432	3.0
118.96216	61.8
119.03428	0.7
126.80814	0.5
132.97762	3.7
142.96158	0.5
144.99533	9.1
145.04948	7.7
147.08029	0.5
149.02666	54.7
150.02953	0.4
156.62112	0.5
158.99420	0.5
170.95679	2.3
174.98820	0.8
177.02168	8.6
202.98277	2.6
214.21671	2.0
215.22041	0.6
230.97865	0.7
245.15283	0.4
248.98819	0.8
262.23743	4.4
263.00418	1.5
263.20126	0.8
263.24100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26500	6.4
70.06603	7.0
70.90881	11.4
73.38280	6.0
74.80633	6.1
76.25365	6.0
87.78345	6.4
94.93017	9.4
101.00865	27.3
104.10740	56.2
112.89616	37.3
113.23206	7.1
114.89340	19.7
119.01941	32.2
129.13548	6.3
131.01862	24.5
143.01904	42.2
157.33929	6.4
157.82047	6.7
161.02948	100.0
168.51382	6.9
173.02946	22.5
191.03989	11.5
203.03906	9.8
221.04935	8.6
236.35580	6.6
263.01718	19.8
263.05698	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	21.7
70.49057	43.3
72.68344	22.2
101.00906	36.9
101.87473	25.0
119.01901	41.7
128.07005	20.7
131.01910	23.6
143.01898	43.1
161.02899	100.0
197.62573	21.3
245.46028	23.9
263.01563	98.2
263.06052	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	263.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	4.2
58.26522	1.8
69.03443	11.0
70.50263	1.8
70.50590	2.6
71.01326	2.5
79.01875	4.0
79.05486	5.9
91.05478	5.3
95.01319	8.0
99.00810	37.4
103.05473	8.8
105.03384	3.1
105.07024	100.0
107.01324	12.6
115.05433	2.5
119.08626	3.1
128.06224	5.0
129.06964	9.4
131.04935	15.6
131.08562	3.5
141.01817	32.7
143.08583	3.4
151.03899	1.9
152.06253	1.9
153.06979	11.9
154.84279	2.1
155.08577	6.0
157.06500	17.9
159.08040	2.8
171.07996	9.6
175.07530	3.7
181.06496	8.3
183.08044	7.3
185.05986	8.1
199.07520	26.0
201.09132	5.4
207.08044	2.8
217.08615	2.9
221.00833	7.6
227.07016	17.7
245.08232	9.7
245.12650	2.1
249.00250	2.6
263.07007	17.7
263.09271	2.1
263.12848	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	263.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
56.05028	0.4
56.05825	0.4
57.03873	0.4
58.94675	0.3
58.99577	1.1
59.04975	0.4
67.84524	0.3
69.03400	0.6
70.06588	33.0
71.04980	0.3
71.06928	0.4
71.40139	0.3
72.08138	0.4
74.65585	0.3
79.05518	0.4
83.08572	0.5
84.08930	0.4
85.02895	0.5
86.09693	0.4
86.99052	0.7
91.05473	1.5
93.07052	2.6
95.04990	0.4
98.06059	1.6
102.09157	0.3
103.05462	7.0
104.05326	0.5
104.99274	1.3
116.01665	1.6
116.07083	76.8
117.02008	0.8
117.07461	0.8
118.06609	0.3
119.08531	0.7
120.08095	100.0
121.08426	1.7
127.03883	0.5
144.01141	0.7
145.01495	0.5
147.04387	0.5
162.02219	1.1
163.02452	1.0
194.84784	0.3
200.10654	0.3
217.08594	0.4
217.13486	0.7
245.12837	0.9
263.05737	0.4
263.09299	1.1
263.13882	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	263.139
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.05522	1.8
56.05045	0.4
56.05841	0.8
58.99594	0.9
59.99922	0.3
70.06590	37.2
71.06926	0.4
77.10034	0.3
81.07059	0.6
83.08624	0.7
84.08942	0.5
85.02890	0.7
86.09731	0.7
86.99033	0.5
91.05468	1.8
93.07034	2.5
94.99659	0.3
95.04978	0.6
95.08594	0.4
98.06064	2.0
98.06609	0.4
102.09209	0.5
103.05464	7.4
104.99262	0.9
109.06588	0.3
109.73035	0.4
114.05535	0.6
115.05468	0.4
116.01658	2.0
116.07088	83.7
117.02008	1.1
117.07430	0.7
120.08100	100.0
121.08466	1.2
129.07108	0.4
144.01143	0.9
145.01424	0.5
147.04361	0.5
157.07578	0.4
162.02180	1.4
163.02495	1.0
163.32048	0.3
217.13336	0.6
243.51292	0.4
245.12679	1.1
263.10010	0.8
263.10660	0.9
263.13870	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	263.1424
Annotation	Met Leu
Peak:m/z	Relative Intensity
55.05510	1.5
56.05032	74.1
57.05359	0.6
58.99587	1.1
61.01147	45.5
62.36983	0.3
67.01865	0.9
69.03428	0.5
70.06590	1.4
72.08139	0.3
74.06075	5.4
74.93160	17.1
83.08591	0.9
84.04503	1.5
84.08956	0.4
85.02914	0.4
85.04043	0.7
86.09700	10.1
86.99057	0.6
87.04463	0.7
91.05475	0.4
93.07034	0.3
101.05921	0.8
104.05321	100.0
104.22700	0.3
104.99268	1.1
105.05654	0.7
106.52961	0.3
113.10730	1.8
116.01674	2.3
116.07082	2.0
117.01992	1.1
120.08121	3.0
123.08045	0.4
124.11180	0.6
131.08469	0.3
132.10190	5.6
137.02293	0.9
141.10193	2.0
142.58322	0.3
144.01134	0.7
145.01445	0.6
147.04417	1.1
162.02208	1.2
163.02501	1.0
169.13344	2.1
172.11491	2.2
186.92305	0.9
187.10817	0.6
198.11263	1.9
204.93405	3.9
215.13892	7.9
217.13690	2.6
222.94435	3.3
235.11142	0.6
245.13039	0.6
259.40323	0.4
263.05447	1.8
263.09982	0.9
263.14197	5.7
280.90640	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	263.1427
Annotation	H-Ile-Met-OH
Peak:m/z	Relative Intensity
51.33517	0.4
55.01901	0.5
55.05493	0.5
56.05031	7.3
61.01147	4.4
69.03404	0.5
70.06587	11.0
74.06068	0.8
81.07034	0.5
83.04959	0.9
84.04510	1.0
84.08127	0.8
86.09699	100.0
87.04459	1.2
87.10024	1.0
91.05458	0.7
95.08604	0.9
103.72016	0.5
104.05325	13.3
104.99264	12.3
107.08577	0.7
111.04488	0.6
117.68410	0.5
119.08581	1.2
120.08101	0.7
121.02855	0.9
123.08067	1.2
124.11223	0.8
130.04979	1.2
132.10188	0.7
133.03188	4.4
133.10153	0.6
142.34610	0.5
147.07996	0.7
150.05832	15.0
161.02959	1.0
169.13362	2.8
171.11697	0.8
172.11589	0.6
175.07536	0.9
191.38301	0.5
199.11145	0.5
215.13930	1.5
217.13699	1.3
221.97504	0.8
263.10089	0.9
263.14053	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03937	1.5
55.05503	13.8
57.07073	11.0
65.03935	3.2
67.05499	87.4
68.05823	1.4
69.07061	15.4
71.04988	2.0
71.08620	7.9
71.31122	1.3
77.03885	1.5
78.84073	0.9
79.05487	20.3
81.07049	100.0
83.04980	2.0
83.08611	15.1
85.06548	5.1
85.10173	3.8
91.05473	18.1
93.07034	23.3
95.04998	1.4
95.08597	89.1
96.80870	0.8
97.06532	7.9
97.10174	5.6
99.08091	6.1
104.99255	3.1
105.07012	11.1
107.07929	1.3
107.08588	13.3
109.06518	1.7
109.10144	47.9
111.08047	5.6
113.09627	3.0
119.08562	11.9
121.10126	17.0
123.08036	1.5
123.11691	20.9
125.09615	1.4
127.11121	2.6
133.10121	15.0
135.11687	10.9
137.09631	2.1
137.13240	8.7
141.12741	1.8
147.11673	9.8
149.13245	8.8
151.11172	1.7
151.14786	7.4
156.06816	0.9
156.13120	1.0
160.59142	1.0
161.13255	8.3
163.14828	8.9
165.12691	1.2
165.16382	8.5
167.14304	0.9
175.14810	8.6
177.16315	1.6
179.17940	3.9
181.15822	1.5
182.59644	0.9
189.16351	3.7
203.17949	1.5
207.17346	1.5
217.19571	1.3
245.22641	28.9
263.23679	70.9
264.24011	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.71937	0.7
52.43541	0.7
53.03943	1.3
55.01861	0.9
55.05511	14.4
57.03426	1.4
57.07079	11.2
65.03939	2.7
66.06712	0.8
67.05502	85.6
67.82813	0.8
69.07069	16.7
69.07442	1.3
69.73624	2.2
71.04989	1.9
71.08630	5.2
74.47762	0.8
77.03909	1.1
79.05488	23.9
81.07055	100.0
82.07407	1.5
83.04980	1.8
83.08612	14.0
85.06558	4.0
85.10181	3.2
91.05473	19.0
93.07040	23.3
95.04944	3.0
95.08604	87.2
96.08913	1.0
97.06519	7.8
97.10172	4.9
99.08083	5.3
104.99267	4.7
105.07029	12.7
107.08590	14.9
109.06477	1.7
109.10155	42.9
111.08073	5.2
111.11676	1.5
113.09650	2.8
119.08572	15.1
121.09280	0.9
121.10141	16.5
123.08048	2.5
123.11705	18.2
125.09639	0.8
127.11169	1.9
128.06207	1.2
131.08556	1.1
133.10126	13.4
135.11697	8.8
137.09648	2.2
137.13229	7.2
141.12762	1.5
142.07745	1.1
143.08572	2.6
147.11693	9.7
149.13271	7.4
151.11168	1.1
151.14827	6.4
155.14206	0.9
157.10136	2.9
161.13255	10.6
163.14795	6.5
165.16393	8.4
171.11652	0.9
175.14836	5.1
177.16347	1.5
179.17943	3.8
181.15825	2.1
189.16341	4.1
193.10043	1.3
203.17989	1.6
205.10106	1.3
206.10924	1.9
207.11729	2.3
207.17375	0.9
219.21136	0.8
220.12425	1.1
221.13245	2.3
233.13226	3.0
234.14107	1.1
235.14810	0.9
245.22638	23.4
248.15500	2.6
263.18005	9.8
263.23694	67.9
264.24075	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01865	1.0
55.05505	16.1
57.03412	1.1
57.07069	10.0
60.84809	0.8
65.03935	2.4
67.05498	87.3
68.05825	1.2
69.06705	1.5
69.07059	18.3
70.26932	1.0
70.27258	1.2
71.04975	1.7
71.08630	7.5
74.17981	0.9
79.05483	22.7
81.07049	100.0
82.07377	1.0
83.04966	2.4
83.08609	12.7
85.06539	4.4
85.10172	3.0
91.05473	16.7
92.44483	0.8
93.07031	23.0
95.04957	3.0
95.08596	87.6
97.06522	6.8
97.10166	6.9
99.08067	5.2
104.98582	1.6
104.99255	19.4
105.07014	12.5
107.08580	14.4
109.06530	1.3
109.10143	40.9
110.10473	1.1
111.08095	4.7
111.08732	0.8
111.11688	1.6
113.09628	2.9
119.08567	11.5
121.10134	14.6
123.08057	1.9
123.11694	17.8
125.09580	1.7
126.93523	0.8
127.11204	2.4
131.08591	1.4
133.10117	13.8
135.11687	7.2
137.09605	2.8
137.13235	8.3
141.12755	1.4
147.11665	7.6
149.13217	5.7
151.11156	1.9
151.14822	7.4
155.14240	1.0
161.13245	9.8
163.14818	6.6
165.16368	8.9
167.14340	1.0
175.14810	7.7
177.16315	1.3
179.17963	3.3
181.15945	1.0
183.44463	0.9
189.16351	3.5
190.96667	0.9
203.17921	1.6
221.19131	0.9
235.14063	0.8
245.22606	29.9
263.03058	1.4
263.05798	0.9
263.23672	66.3
264.23999	3.0
274.62625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	100.0
59.60543	0.6
67.98152	0.7
70.20300	1.3
71.69529	0.5
71.95259	1.1
72.96045	1.5
74.83040	0.5
74.97611	0.9
75.32694	0.5
81.04544	1.1
83.97631	1.7
98.23426	0.6
98.31287	0.5
98.97573	16.3
105.12242	0.5
112.92263	0.6
112.97864	0.7
116.98623	5.5
122.07138	6.5
132.20259	0.6
134.99628	2.4
144.04778	2.0
144.96872	1.1
149.02725	1.4
163.00629	0.6
165.02251	2.6
167.03831	1.3
176.02284	1.0
176.03822	18.6
177.02235	1.4
178.05374	31.1
181.01741	0.8
183.03256	5.5
186.02142	1.1
190.01646	1.2
192.03310	2.1
194.04886	5.7
196.06436	16.0
201.04285	3.7
202.10678	1.2
204.03300	9.4
208.02757	4.7
210.04480	0.7
216.57819	0.5
222.04352	79.8
223.04713	1.2
226.03923	1.6
237.04245	0.6
240.05405	59.7
241.05643	1.0
245.06000	1.1
264.05399	17.0
282.06427	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	264.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.6
65.21621	3.4
67.05489	5.9
69.41546	14.2
79.05508	3.0
81.07065	9.6
82.94130	2.8
83.04971	23.2
91.05487	7.7
95.08607	8.6
98.22705	5.6
101.05993	3.4
104.99273	6.4
105.99619	3.6
119.08574	38.1
119.20937	2.9
122.07150	12.5
131.04886	3.3
141.13986	2.6
144.04803	3.2
147.08040	100.0
179.02580	2.8
211.73038	3.2
215.40164	2.5
241.31616	2.8
264.24008	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	265.1067
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
52.66166	1.0
53.03941	1.1
55.05497	1.0
66.12455	0.8
67.05499	1.1
68.99780	2.0
69.03427	2.0
69.07052	1.0
69.45067	0.8
69.47421	1.5
69.47809	2.2
71.01353	4.7
72.08111	0.9
79.05489	3.2
81.03414	3.5
81.04527	6.5
81.07039	2.6
85.02906	0.9
86.06053	1.1
91.05471	5.0
93.07028	2.4
95.04949	3.2
95.08592	1.2
96.06438	0.8
97.02904	1.4
97.06510	1.1
97.50323	0.9
99.04444	1.0
100.81769	1.0
103.05461	1.9
105.07008	4.5
107.04959	1.3
109.02875	2.0
110.69095	0.8
112.99992	1.3
115.05441	1.1
117.07030	1.9
119.05036	1.1
119.08601	1.2
120.08136	2.0
121.02858	5.8
121.06524	1.2
122.07143	49.6
123.04435	6.7
123.08121	1.9
126.03713	1.3
129.06989	1.6
131.08540	4.3
133.10115	1.3
134.03589	1.2
135.04407	5.4
141.05455	1.5
141.06973	1.0
144.04762	13.4
144.05750	1.7
145.06470	2.0
145.10121	1.8
147.04402	20.4
147.08028	1.4
149.05992	9.5
149.09608	1.3
151.03867	1.5
151.07523	1.4
155.08537	2.9
159.04364	5.9
160.05188	2.5
161.05981	4.2
163.03885	16.7
165.07042	1.0
173.05984	3.4
173.09625	2.4
175.03865	3.8
175.07529	43.5
177.05418	3.9
177.09030	1.7
185.06006	3.6
186.06700	1.1
187.07469	4.1
189.09055	1.8
191.07014	15.5
191.10585	2.3
200.04695	1.8
201.05406	2.2
201.09097	20.7
203.07028	15.8
205.04959	3.3
205.08682	1.1
211.07509	3.2
219.06807	1.6
219.10139	41.4
221.13364	1.0
229.08537	5.3
244.87010	0.9
247.09636	98.6
248.09988	2.7
265.04736	2.7
265.10684	100.0
266.10980	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	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77183	3.8
56.38907	4.0
59.17231	3.7
70.60371	8.1
80.04984	4.4
81.03385	4.3
81.04533	4.2
81.77199	4.1
91.05473	7.8
91.50587	3.4
95.08603	5.0
103.05470	10.1
105.07021	6.1
107.04965	6.6
115.05455	27.1
117.07027	45.0
119.08599	4.5
120.89691	4.2
121.02868	7.9
122.07123	11.3
128.06194	5.1
129.07014	6.9
131.04926	19.5
131.08531	4.4
141.07002	5.3
144.05710	9.9
145.06487	85.5
153.33719	4.3
155.06058	19.8
156.05681	17.8
156.63313	4.6
157.06487	8.3
159.08124	5.1
160.05296	4.4
165.06956	7.2
167.07077	4.4
173.05984	100.0
175.07565	6.8
187.07495	11.5
190.06242	47.1
191.08591	7.3
202.06285	5.1
203.07030	17.1
205.06906	5.7
205.08617	61.9
209.05876	5.3
215.99268	8.7
217.08589	58.6
233.01935	4.6
237.05420	7.5
237.09189	6.5
240.77618	4.0
247.09668	4.6
250.06247	4.5
265.04819	4.7
265.08502	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	265.1068
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.03942	1.1
55.01849	0.8
55.05494	1.2
55.61573	0.5
57.03412	1.0
67.05505	1.3
68.99782	2.7
69.03403	1.1
69.07067	0.5
69.46304	2.8
71.01346	4.6
71.04988	0.8
72.08140	0.6
74.15172	0.5
77.03906	0.6
79.05460	2.1
79.67791	0.5
81.03405	3.7
81.04514	1.8
81.07045	1.2
85.02883	1.1
85.06532	0.6
91.05453	3.8
93.07026	1.6
95.04977	3.5
95.08585	1.4
97.02847	1.6
97.06530	1.0
98.22676	1.0
99.04406	1.0
103.05450	2.4
105.03392	0.6
105.07005	3.5
107.04921	1.3
107.08582	1.0
108.04463	1.5
109.02858	1.6
109.06500	0.7
111.04416	0.6
115.05442	1.0
117.07002	2.1
119.04906	0.8
119.08572	1.2
121.02867	5.5
121.06489	1.3
121.10087	0.6
122.07151	14.8
123.04428	6.9
123.08043	3.4
126.05506	1.3
127.03884	0.8
128.06218	0.7
129.06985	2.6
131.04912	1.3
131.08566	4.1
132.05692	0.5
133.06497	1.1
133.10045	0.8
134.03590	0.8
135.04431	4.9
137.05939	1.3
139.03864	0.6
141.05441	1.6
141.06940	0.6
141.89003	0.6
143.08624	0.6
144.04735	3.9
145.06508	1.3
145.10114	1.7
147.04398	19.7
147.08052	0.8
149.05975	9.1
151.03867	1.3
151.07495	1.2
153.06871	0.5
155.08498	2.2
159.03174	0.6
159.04410	4.5
159.08025	1.3
160.05179	2.3
161.05942	3.1
162.06769	0.9
163.03899	17.0
163.07492	1.6
164.04263	0.6
168.05746	0.6
172.05183	1.1
173.05916	3.6
173.09628	1.9
175.04002	3.4
175.07530	42.1
176.04608	1.3
176.07883	1.3
177.05453	3.0
177.09073	1.6
181.04926	0.7
183.07980	1.3
185.05960	3.8
187.03870	0.7
187.07536	4.0
189.05540	0.7
189.09047	2.2
191.03360	1.0
191.07010	17.8
191.10620	2.4
195.11710	0.8
199.07504	1.3
200.04684	2.2
201.05446	3.2
201.09100	18.2
203.07010	15.4
204.07471	0.6
205.04959	2.0
205.08525	1.3
207.11786	0.6
209.13277	1.3
211.07494	3.4
219.06622	1.4
219.10133	41.7
220.10468	1.2
221.08192	0.6
223.14798	0.7
229.08549	5.8
237.07535	0.7
247.09636	99.4
248.09975	2.4
248.83136	0.6
254.12032	0.6
265.10687	100.0
265.19592	2.8
266.10944	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1064
Annotation	Scytalol D
Peak:m/z	Relative Intensity
53.03934	1.1
55.01878	2.5
57.03431	1.3
61.15114	1.0
65.73219	1.0
67.11764	0.8
69.03426	45.4
70.23928	1.1
70.24265	1.3
79.05492	2.5
81.03403	2.1
81.04534	7.5
81.07074	2.1
81.37039	1.1
85.02898	3.3
86.09708	7.3
91.05484	13.1
93.07038	25.4
95.04959	5.0
95.08581	1.3
97.02882	3.7
98.22774	1.4
99.04449	5.0
103.05458	21.8
105.04510	2.4
105.07040	4.3
107.04951	3.1
110.56330	1.0
111.04432	15.1
115.05460	4.7
117.07024	3.7
119.04977	2.4
121.02872	4.8
121.06499	72.1
122.07146	64.7
123.04443	4.8
125.87037	1.0
128.06226	4.0
129.06996	5.3
131.04926	31.2
131.08563	2.0
133.06508	4.8
135.04381	1.1
137.05965	10.4
141.06975	2.3
143.04919	2.3
144.04773	17.3
144.05811	0.8
145.02797	1.5
145.06485	4.5
147.04485	1.1
149.05971	100.0
150.06352	1.4
151.07541	7.9
152.05641	2.1
153.06998	1.1
155.08568	3.4
157.06490	6.0
159.08031	3.8
160.05229	1.7
161.05952	11.7
163.07510	5.5
165.05481	7.4
165.06721	1.4
167.07027	54.3
171.08055	2.1
173.05907	1.8
175.07518	8.8
177.05502	1.8
177.09105	2.0
179.07050	3.3
183.08052	4.2
185.05974	2.1
187.07512	7.7
189.05507	6.4
191.07028	7.9
201.09125	4.3
203.06969	2.9
205.08551	2.7
207.06522	8.1
209.86333	1.0
211.07576	1.8
217.08589	3.6
219.10161	3.0
229.08505	8.6
235.09602	1.7
247.09644	38.7
248.10016	1.9
265.10645	10.8
265.13528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00478	4.0
60.81888	3.3
62.80556	4.2
64.80313	3.6
66.72575	3.3
76.36280	4.2
79.05482	8.8
81.03416	7.5
81.04559	7.2
81.07035	7.7
91.05469	9.5
91.69301	3.9
95.94324	4.0
105.07014	4.8
113.43977	4.3
115.05442	28.6
117.06998	41.6
121.02937	3.9
122.07133	44.1
129.07051	5.8
131.08578	4.6
136.06181	7.2
138.06659	3.7
141.06975	7.1
144.04782	18.0
144.05789	5.2
145.06488	68.5
155.06075	16.4
155.08617	4.1
156.05698	15.2
157.06477	12.3
159.08026	9.7
160.05217	6.6
161.05925	5.7
167.07036	8.0
173.05988	100.0
175.07506	5.2
181.05040	4.8
185.35887	3.9
187.07486	8.2
190.06245	40.1
195.11691	6.3
202.06316	4.5
203.07011	22.3
203.16417	4.7
205.06682	8.3
205.08568	73.5
206.04605	6.6
215.99271	5.4
217.08582	53.7
219.10159	5.9
221.13196	6.0
222.14030	5.2
233.61401	4.6
235.09583	4.7
235.15007	5.3
237.16306	6.8
247.09648	7.6
247.17070	4.5
248.05634	5.4
265.10861	10.2
265.16049	40.3
265.18823	6.2
287.75079	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1547
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
54.03446	0.5
56.96552	1.4
66.91640	0.3
67.05447	0.3
69.03421	0.4
69.96552	0.7
70.06593	0.3
72.08150	5.2
81.03400	1.1
81.04533	4.8
86.09693	1.4
91.05508	0.8
93.07044	1.9
94.54957	0.3
95.08615	0.4
103.05462	5.0
104.99305	0.4
105.07018	0.3
109.02882	0.4
118.06548	0.4
118.08627	1.7
120.08096	100.0
121.02868	2.0
121.08458	1.7
122.07144	33.7
128.45268	0.3
143.21997	0.3
144.04774	9.2
152.05640	2.7
169.29881	0.3
177.05496	0.5
208.50891	0.3
219.15001	1.1
219.93947	0.3
261.02960	0.4
265.04730	0.5
265.11636	0.4
265.15448	2.6
266.12433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1547
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
53.03956	0.3
55.05513	0.5
64.31905	0.2
70.06549	0.2
70.82077	0.2
72.08154	4.7
79.05488	0.2
81.03406	0.5
81.04532	1.8
86.09683	0.3
91.05473	0.7
93.07040	1.5
95.04958	0.5
103.05464	5.6
105.20039	0.2
109.02945	0.2
110.26830	0.2
115.92894	0.2
118.08668	1.9
120.08099	100.0
121.02873	0.3
121.07694	0.3
121.08447	1.5
122.07149	12.7
144.04776	3.0
152.05583	0.2
159.08044	0.2
161.95160	0.2
179.30276	0.2
187.07382	0.3
219.14987	1.6
224.77083	0.2
265.03241	0.4
265.10596	1.4
265.15460	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	265.1547
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03941	0.5
55.05509	12.2
56.05011	0.3
57.05813	1.1
59.22784	0.2
69.11451	0.2
69.95283	0.5
69.95628	0.3
71.04987	0.3
72.08150	100.0
73.08485	1.0
74.93159	0.6
76.92868	0.6
81.03387	1.3
81.04536	0.7
87.01098	0.2
89.90555	0.2
93.07018	0.2
103.05443	0.5
109.02877	0.6
113.41851	0.2
120.08096	15.1
121.02863	2.3
122.07139	4.7
132.50276	0.2
136.06178	3.1
144.04767	1.4
149.06042	0.2
166.08630	11.0
167.09105	0.3
206.93091	0.3
219.14908	0.7
247.96559	0.2
265.07098	0.7
265.11246	0.2
265.15454	2.7
266.16122	0.5
282.90308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1585
Annotation	12-Demethylmulticaulin
Peak:m/z	Relative Intensity
53.03941	0.6
55.01862	1.3
55.05508	1.7
56.90611	0.4
57.03435	1.0
57.07072	3.2
61.12987	0.4
62.64438	0.5
65.03936	0.5
65.35637	0.4
67.05505	3.1
68.99795	0.7
69.03423	2.2
69.07076	2.8
70.60691	0.5
70.61015	0.9
71.05001	0.8
71.25349	0.4
74.36008	0.5
79.05492	3.8
81.03408	8.9
81.07056	5.4
83.04977	1.0
85.06564	0.7
91.05479	6.0
93.07033	3.2
95.04961	3.9
95.08596	2.6
97.06522	1.7
103.05467	0.7
105.04532	0.6
105.07021	6.9
107.04977	1.7
107.08610	2.0
109.06515	1.8
111.08076	0.6
115.05451	1.5
116.06308	0.7
117.07019	2.7
119.08540	3.9
121.06541	2.4
121.10151	0.9
122.07151	1.2
123.08109	1.0
125.05972	0.7
128.06232	2.7
129.06995	4.9
131.04910	1.4
131.08563	3.0
133.06499	1.1
133.10110	1.0
135.08073	1.4
141.06976	4.1
142.07782	3.1
143.08548	6.0
145.06479	1.9
145.10075	2.6
147.07979	0.6
149.05984	1.0
152.06227	1.5
153.06993	4.8
154.07774	1.7
155.08530	8.7
156.09357	2.0
157.06477	0.9
157.10114	5.5
159.08064	1.9
159.11687	1.0
165.06987	10.2
166.07751	4.9
167.07178	0.7
167.08548	10.4
168.09340	4.1
169.06458	0.7
169.10110	8.5
171.08066	1.9
171.11674	3.7
173.09631	1.1
177.12787	1.7
178.07747	3.8
179.08545	10.5
180.09308	5.4
181.06531	2.8
181.10091	14.1
182.10786	2.3
183.08127	2.3
183.11679	10.7
184.12433	1.5
185.09602	1.6
187.11159	0.6
189.06870	0.9
190.07825	2.3
191.08533	7.1
192.09309	5.0
193.10109	14.9
194.07246	1.6
194.10869	3.9
195.08044	6.6
195.11670	12.6
196.12381	1.2
197.09605	1.3
197.13269	3.5
202.07785	2.1
203.08568	4.1
204.09341	2.1
205.10106	8.4
206.10873	11.6
207.08044	1.9
207.11693	10.4
208.08905	2.3
208.12408	3.6
209.07976	0.8
209.09641	9.0
209.13200	6.1
210.10336	1.5
211.11156	1.0
217.10103	10.8
218.10904	3.2
219.11693	5.0
219.13670	0.8
220.12488	1.4
221.09804	4.0
221.13222	16.7
222.10396	2.2
222.13936	3.9
223.11211	8.2
223.13026	0.6
223.14980	2.7
224.11777	1.0
230.10898	0.7
231.11696	1.8
232.12460	11.5
232.14670	0.9
233.13203	0.6
235.11154	5.6
235.14841	2.1
236.11978	2.3
237.12825	2.8
237.16357	8.7
247.14816	14.5
249.12807	0.7
250.13464	3.9
265.15894	100.0
266.16196	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	265.1587
Annotation	12-Demethylmulticaulin
Peak:m/z	Relative Intensity
51.65554	0.4
53.03940	0.8
55.01864	1.3
55.05513	2.4
57.03438	1.1
57.07067	0.5
67.05497	2.3
69.03427	2.1
69.07056	2.4
69.21806	2.7
79.05490	2.9
81.03413	6.7
81.04513	0.9
81.07049	3.7
83.04969	0.8
83.92249	0.4
85.06570	0.5
91.05477	5.1
93.07043	3.4
95.04948	2.8
95.08602	2.4
97.06536	0.6
103.05473	0.7
105.07021	5.6
107.04946	1.2
107.08594	1.3
109.06522	1.5
109.10140	0.6
112.04398	0.5
115.05462	1.8
117.06994	2.7
119.08542	3.3
121.06528	1.9
121.10195	0.5
122.07162	4.6
123.08083	1.1
128.06258	2.3
129.07014	4.0
131.04958	0.8
131.08545	3.8
131.29169	0.4
133.06451	0.8
133.10132	0.7
135.08026	1.2
141.06975	4.4
142.07756	2.5
143.08549	5.2
144.04773	1.1
145.06473	1.6
145.10100	3.3
147.08028	0.8
149.09624	0.5
152.06244	1.5
153.07002	4.7
153.09050	0.4
154.07753	1.5
155.08548	6.5
156.09319	1.9
157.06496	0.9
157.10121	4.5
159.08012	2.1
159.11693	0.7
161.09659	0.6
164.86143	0.4
165.06976	8.2
166.07771	3.7
167.08559	8.0
168.09320	3.3
169.06519	1.0
169.10101	7.9
170.10805	0.8
171.08081	1.7
171.11713	2.6
173.09637	1.0
173.13385	0.6
178.07751	2.9
179.08566	9.9
180.09331	4.5
181.06573	2.5
181.10104	12.2
181.11697	0.7
182.10873	1.5
183.08118	1.9
183.11685	9.1
184.12396	1.3
185.09618	1.3
189.06941	1.1
190.07791	1.3
191.08560	6.3
192.09325	4.7
193.10097	11.4
194.07339	1.0
194.10910	3.4
195.08038	5.4
195.11685	11.1
196.12343	0.9
197.09639	1.9
197.13219	2.6
201.12798	0.5
202.07683	1.0
203.08521	3.4
204.09320	1.9
205.10106	6.6
206.10913	10.0
207.08037	2.0
207.11676	8.0
208.08821	2.3
208.12309	2.7
209.09641	7.0
209.13217	4.3
210.10449	0.8
211.11081	0.4
217.10101	8.3
217.12015	0.8
218.10873	2.4
219.11699	4.9
220.12422	1.3
221.09802	2.9
221.13235	12.4
222.10501	2.5
222.14006	3.5
223.11163	9.0
223.14586	2.7
224.11711	0.6
231.11734	1.6
232.12476	8.0
234.14024	0.9
235.11230	3.4
235.14809	2.6
236.11897	3.3
237.12740	3.3
237.16367	8.8
247.14819	13.3
248.06380	0.6
250.13545	4.1
265.15878	100.0
266.16119	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	265.1586
Annotation	12-Demethylmulticaulin
Peak:m/z	Relative Intensity
53.03942	0.7
55.01871	2.0
55.05504	1.7
57.03429	1.2
57.07064	0.4
59.16396	0.4
65.03952	0.5
67.05495	3.5
69.03425	1.8
69.07068	2.0
70.12933	0.9
70.13262	0.9
71.04991	1.1
77.03944	0.4
79.05485	4.5
80.74931	0.4
81.03411	11.7
81.07045	4.4
83.04969	0.9
85.06556	0.6
89.73849	0.5
91.05472	7.5
93.07035	3.9
95.04964	4.7
95.08607	2.5
97.06519	0.5
103.05453	1.1
105.04473	0.5
105.07024	6.0
105.07648	0.6
107.04953	1.7
107.08583	2.8
109.06528	2.3
113.58125	0.4
115.05460	1.4
116.06302	0.4
117.07021	3.4
119.08571	4.5
121.06493	3.2
122.07135	1.4
123.08093	0.7
128.06210	3.7
129.06992	4.5
130.07762	0.6
131.04922	1.6
131.08553	4.5
133.06468	0.9
133.10141	1.3
135.08078	1.9
141.06972	5.1
142.07771	3.6
143.08566	6.2
144.04797	1.0
145.06488	1.3
145.10156	3.3
147.08041	0.5
152.06218	1.2
153.06984	6.0
154.07817	2.5
155.08545	10.2
156.09392	2.5
157.06467	0.9
157.10107	6.5
159.08014	2.0
159.11635	1.0
161.09715	0.4
165.06999	10.0
166.07762	5.7
167.08557	11.3
168.09322	4.3
169.06496	1.1
169.10121	10.0
171.08069	1.7
171.11736	3.4
173.09637	1.0
177.07022	0.5
178.07733	3.6
179.08546	12.7
180.09340	6.9
181.06496	2.6
181.10104	15.4
182.10907	2.8
183.08112	2.7
183.11676	12.9
184.12392	1.9
185.09573	2.0
189.06967	0.6
190.07785	1.5
191.08528	7.3
192.09328	6.6
193.10104	13.4
194.07285	1.6
194.10887	4.7
195.08047	6.3
195.11679	14.5
196.08751	0.7
196.12383	1.2
197.09572	2.0
197.13210	3.1
201.12711	0.7
202.07762	1.9
203.08525	4.9
204.09340	3.0
205.10104	9.3
206.10899	12.2
206.12775	0.9
207.08061	1.6
207.11687	12.1
208.08870	2.9
208.12444	3.7
209.09604	9.6
209.13214	7.0
210.10310	1.3
211.11151	1.1
212.59232	0.5
216.09366	1.0
217.10127	12.3
218.10890	2.9
219.11671	6.7
220.08810	0.6
220.12465	1.7
221.09811	3.7
221.13232	16.0
222.10504	2.4
222.13910	4.4
223.11174	9.3
223.14728	3.5
224.11899	1.2
229.12325	0.7
230.10748	0.5
231.11642	2.0
232.12444	10.4
233.13029	0.4
234.14012	0.6
235.11150	5.4
235.14787	3.0
236.11940	4.4
236.15662	0.9
237.12782	4.0
237.16359	8.6
245.13097	0.5
247.14845	14.0
247.17424	0.7
248.15196	1.0
249.12659	0.7
250.13535	5.3
265.15875	100.0
266.16211	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1585
Annotation	12-Demethylmulticaulin
Peak:m/z	Relative Intensity
53.03938	0.8
55.01864	1.3
55.05507	1.3
57.03411	0.8
61.29865	0.6
67.05492	2.8
69.03421	2.0
69.07050	1.6
71.04993	0.5
77.03919	0.6
79.05127	0.4
79.05495	3.8
81.03408	10.9
81.07045	4.3
83.04985	1.2
83.08594	0.6
85.06545	0.6
89.75643	0.5
91.05471	5.1
93.07043	3.2
95.04949	4.2
95.08611	2.6
103.05465	0.7
105.07027	5.4
107.04945	1.8
107.08593	3.1
109.06503	2.0
112.14962	0.5
115.05460	1.0
117.07005	2.2
119.08591	3.5
121.06480	2.5
121.47092	0.5
123.08063	0.9
128.06197	2.8
129.07019	4.3
131.04962	0.9
131.08540	3.2
133.06485	1.3
133.10150	1.4
135.08066	1.4
141.06989	4.7
142.07776	3.0
143.08549	5.7
144.29591	0.5
145.06464	1.7
145.10101	3.0
147.08051	0.7
149.09653	0.5
152.06248	1.1
153.06960	4.6
154.07733	1.7
155.08545	8.6
156.09363	2.4
157.06522	0.9
157.10141	5.6
159.08057	1.8
159.11707	0.7
165.06975	8.6
166.07782	3.6
167.08565	9.6
168.09319	3.5
169.06488	1.2
169.10120	9.4
171.08046	1.8
171.11664	5.2
173.09619	0.8
178.07840	3.1
179.08545	10.2
180.09317	5.6
181.06519	3.4
181.10097	14.1
182.10832	1.7
183.08038	1.9
183.11662	11.1
184.12273	1.2
185.09618	1.7
189.06879	0.6
190.07758	1.4
191.08551	7.0
192.09300	4.8
193.10104	13.5
194.07240	1.6
194.10873	4.2
195.08060	5.6
195.11671	13.0
196.08784	1.2
196.12402	1.0
197.09642	2.0
197.13206	3.7
202.07758	1.8
203.08504	4.0
204.09383	2.6
205.10121	7.8
206.10899	9.3
207.08023	2.0
207.11664	11.3
208.08873	2.3
208.12418	3.1
209.09604	9.2
209.13196	6.2
210.10361	1.3
211.11211	0.7
216.09309	1.0
217.10103	10.1
218.10909	3.2
219.11707	5.9
219.13692	1.0
220.12373	1.9
221.09726	3.5
221.13222	14.1
222.10512	2.6
222.13971	3.3
223.11183	7.7
223.14716	3.1
224.11917	1.0
225.98351	0.5
229.12160	0.5
230.11179	0.5
231.11795	1.3
232.12439	10.6
232.14680	0.8
233.13155	0.8
235.11157	3.9
235.14804	1.9
236.11899	3.9
236.15657	0.6
237.12802	3.8
237.16353	9.0
247.14813	14.8
247.17390	0.7
249.12839	0.5
250.13477	2.8
263.14246	0.6
265.15872	100.0
266.16168	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	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05509	9.0
57.07068	1.8
61.72322	0.7
65.03938	2.2
67.05502	100.0
68.05859	0.7
69.03458	0.8
69.07068	8.2
70.22707	1.7
70.23064	1.1
71.05006	1.3
79.05493	10.5
81.04524	1.1
81.07053	94.0
82.07382	1.0
83.08614	3.5
85.06553	2.2
91.05484	2.3
93.07040	10.7
95.04958	1.2
95.08603	69.0
96.08947	1.2
97.06522	1.6
97.10173	1.9
105.07045	2.4
107.08590	6.0
109.06461	1.1
109.10149	53.5
111.11716	0.9
117.07082	1.5
119.08591	2.1
121.10153	6.2
122.07150	8.2
123.08101	1.3
123.11699	28.5
127.07539	1.2
129.07890	0.8
131.08556	2.2
133.10146	3.0
135.11707	4.7
137.09645	1.0
137.13240	5.7
141.09067	0.9
144.04782	2.4
145.10139	2.0
147.11700	3.7
149.09607	2.0
149.13240	3.3
159.11644	1.9
163.11157	1.0
163.14856	2.6
165.12726	1.2
173.13284	2.9
177.12752	2.2
181.12236	1.9
187.14864	0.8
191.08495	0.9
191.14421	1.0
195.13826	1.4
197.16252	0.7
209.15453	1.8
223.16859	1.3
229.19576	1.6
247.20613	3.3
265.21631	46.1
266.22021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.3
60.08150	0.6
69.03358	0.2
70.06572	0.7
70.14716	0.5
71.07352	0.3
72.08149	0.3
81.04540	0.7
82.04833	0.2
82.99832	0.2
84.04478	0.3
84.08128	0.9
85.02896	0.2
86.06068	0.3
86.09219	0.3
86.09690	1.9
94.06570	0.2
98.97560	0.2
101.00879	2.8
104.10736	2.9
114.45934	0.2
119.01904	10.2
120.02019	0.3
121.01643	0.4
122.07138	4.2
123.07511	2.5
134.03218	2.3
134.99855	0.5
136.92998	0.2
137.02953	2.7
138.05507	3.4
140.98843	0.6
142.03516	0.3
144.04753	1.0
145.05052	0.8
150.05482	1.4
153.00932	0.3
154.94130	0.5
156.97485	0.3
158.99867	1.9
163.83746	0.2
171.58533	0.2
172.95206	1.1
175.02943	0.4
177.00929	22.9
178.01021	1.0
182.98885	1.4
190.96297	0.3
193.04160	0.3
195.01917	0.3
201.00758	1.5
208.13329	0.4
214.35043	0.2
217.04050	2.9
219.01978	27.1
220.02107	1.5
222.00183	0.8
224.08925	0.3
224.45525	0.2
225.00897	2.2
237.98900	0.3
240.01190	0.6
243.01970	12.1
244.02086	0.7
261.03027	100.0
262.03168	6.1
263.03271	0.3
266.03568	0.5
266.06805	1.0
266.11136	0.9
266.15881	1.4
267.02142	1.1
267.10849	0.3
284.04572	1.8
284.07443	2.1
284.98999	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	266.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
55.01866	9.6
55.05505	5.5
56.05032	2.2
56.11415	1.4
57.03429	7.1
57.44891	1.2
58.58200	1.1
60.04522	20.8
61.02920	6.0
68.40514	1.2
68.99786	5.6
69.03429	34.7
70.06587	4.8
71.04967	3.0
71.41436	2.2
71.48013	1.2
72.04498	3.0
73.02911	8.0
80.05017	14.8
81.03410	32.9
81.07072	1.6
82.02959	1.9
84.04490	8.9
85.02899	79.3
87.00826	38.9
91.05464	2.8
96.04475	3.1
97.02254	2.6
97.02887	40.8
98.06039	18.2
99.04435	11.0
103.03957	2.0
105.01855	29.9
108.04469	100.0
109.02870	33.7
109.04761	2.2
115.03912	2.4
116.70335	1.6
117.01859	2.6
122.07141	1.5
126.05508	59.4
127.03903	50.2
129.01813	7.1
135.21654	1.3
144.06543	9.8
145.04965	20.1
147.02901	1.7
153.29366	1.3
159.02870	12.1
162.07634	1.8
189.03938	2.4
212.05588	5.8
213.03926	2.9
230.06592	20.7
231.04988	6.3
234.06465	1.5
248.07648	15.3
266.08960	1.6
281.21854	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.0
55.01862	9.4
55.05508	4.5
57.03429	9.0
60.04527	24.7
61.02917	5.3
68.99777	3.9
69.03428	38.4
70.06579	6.9
70.74923	5.4
71.04992	6.6
73.02918	7.5
80.05012	11.0
81.03412	35.5
84.04494	6.0
85.02904	92.4
87.00830	44.0
91.05450	5.9
96.04491	7.0
97.02885	50.5
98.06048	22.3
99.04453	12.8
105.01862	32.7
105.07046	3.0
108.04472	100.0
109.02864	29.9
126.05511	62.8
127.03906	61.4
138.76810	3.1
144.06566	10.7
145.04893	23.1
147.02850	6.0
156.76193	2.8
159.02899	9.5
162.07608	4.0
172.44034	3.0
175.60110	3.2
201.52208	3.3
212.05545	4.9
213.04161	5.2
230.06566	21.8
231.04988	18.1
248.07695	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	266.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63047	0.2
57.03430	0.2
58.06606	0.8
60.08162	7.5
61.02925	0.8
66.68282	0.2
69.03423	1.1
70.43993	0.4
71.01364	0.6
73.02909	2.4
81.03418	0.6
85.02901	2.3
87.04465	2.4
91.03969	0.5
96.04311	0.2
97.02892	0.7
98.22787	0.2
99.04444	1.8
100.47287	0.2
101.02364	1.3
103.03999	0.2
104.10738	100.0
105.11082	0.9
109.02863	0.4
114.89325	1.0
116.89158	0.5
127.03917	1.0
129.05406	0.4
138.03551	0.2
171.06516	0.3
189.07550	0.2
192.99840	0.2
266.15964	82.2
267.16312	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	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77460	0.2
55.05495	0.3
57.03439	0.2
59.04998	1.0
61.02913	1.0
66.91673	0.2
70.60574	0.4
71.04977	2.1
79.05486	0.8
81.03415	0.3
81.07046	3.2
87.08080	0.3
91.47987	0.2
94.04038	1.4
99.08081	0.3
113.09622	0.6
119.03539	2.2
136.06171	100.0
137.04608	1.3
137.06511	0.7
143.95697	0.2
150.07726	0.4
162.07790	0.3
208.13129	0.3
211.90704	0.2
234.13466	18.7
235.13773	0.5
266.16089	45.1
267.16318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
57.03432	0.3
58.17847	0.1
59.04993	0.9
59.43953	0.1
61.02924	1.3
64.60580	0.1
69.03404	0.2
69.92376	0.4
70.06603	0.2
71.04985	3.0
72.08151	0.7
73.08488	0.2
76.92857	0.5
79.05480	0.8
81.03415	0.3
81.04552	0.2
81.07049	3.7
83.08617	0.2
87.08095	0.3
94.04015	0.4
99.08065	0.5
109.02892	0.2
113.09628	1.1
118.75178	0.2
119.03554	1.4
120.04458	0.2
120.08067	0.7
121.02853	0.2
121.08452	0.9
122.03204	0.3
122.06142	0.2
122.07139	0.9
123.07466	0.7
136.06175	100.0
137.04587	1.3
137.06607	0.9
144.04771	0.2
145.05014	0.2
150.07750	0.3
162.07747	1.0
208.13445	0.2
234.13451	1.1
248.11223	0.2
248.15022	1.1
261.03168	0.2
266.16089	18.6
267.13834	0.1
267.16428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63633	0.3
54.40140	0.3
55.01861	0.9
55.05508	10.7
56.05035	0.3
57.07062	2.3
62.99049	0.6
67.05494	2.3
69.03435	0.3
69.07063	100.0
69.09172	2.3
70.07396	1.0
73.02919	0.7
74.99066	1.3
77.90906	0.3
79.05489	0.3
81.03412	0.5
81.07051	0.7
83.08613	1.4
84.04512	0.8
85.84028	0.3
87.02675	0.4
89.02377	0.3
90.14822	0.3
91.05466	0.6
93.00094	1.7
95.04977	0.3
96.01447	0.3
98.22718	0.7
102.98531	0.9
105.07022	0.5
109.10134	0.4
111.11712	11.3
119.08581	0.3
120.99564	8.9
121.10139	0.4
124.03927	0.7
126.09150	0.8
131.04881	0.5
137.09732	0.3
139.00603	0.8
143.08961	0.3
154.05003	0.3
154.25871	0.3
161.09944	1.6
196.17084	0.4
203.10884	0.4
249.11517	13.2
250.03447	0.5
267.12610	4.3
268.04395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1341
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
56.04777	1.5
56.05033	18.0
57.03429	3.0
57.26722	0.8
58.06594	5.2
59.76282	0.7
63.67129	0.7
71.13309	0.9
73.88869	0.7
74.06077	100.0
76.65105	0.7
77.03934	0.7
84.04497	15.1
91.05479	2.2
93.07042	3.1
95.08633	0.9
98.97576	1.0
98.98463	0.9
101.07165	1.6
103.05455	3.7
116.98622	0.9
120.04421	1.1
120.08100	56.4
121.06498	45.9
122.07104	2.8
124.03957	1.2
130.05016	6.9
131.04933	1.9
136.06178	11.9
138.09116	7.0
140.63019	0.8
142.12091	0.7
158.09682	2.1
162.66562	0.7
166.08632	38.2
176.10728	0.9
185.07376	0.7
203.11864	1.3
221.12868	10.1
225.08763	0.8
249.12364	3.5
250.10689	7.3
267.02646	1.5
267.10651	0.9
267.13361	13.9
268.10510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55231	0.4
70.06592	3.2
70.90533	0.5
71.04974	0.4
75.97300	0.4
78.38100	0.4
78.95626	0.5
92.05003	0.9
94.06573	1.9
96.04459	0.4
110.06031	1.0
112.08732	1.4
130.09769	5.5
136.06177	4.2
137.70622	0.4
138.05489	100.0
139.05824	1.6
198.99800	0.4
221.01668	0.5
222.00134	1.0
240.01149	0.6
267.02295	0.5
267.10931	0.9
267.16449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05635	0.3
66.28697	0.3
66.83715	0.4
69.99845	1.1
70.06593	4.5
71.05002	0.5
78.29823	0.4
92.04992	0.6
94.06570	1.8
110.06015	1.0
112.08714	1.0
113.96795	0.3
120.08061	0.4
130.09770	4.3
135.39536	0.3
136.06181	2.8
138.05492	100.0
139.05843	1.7
222.00096	0.6
267.02277	0.5
267.10931	0.7
267.16278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53975	0.5
65.72202	0.5
70.06584	3.1
70.15013	0.4
70.15355	1.2
71.04983	0.7
78.95638	0.8
92.04994	1.1
94.06569	1.6
102.59634	0.5
104.10729	1.6
105.11095	1.7
108.02447	0.5
110.06020	1.5
112.08725	1.3
114.89341	0.6
120.08107	0.8
130.09747	4.3
136.06175	5.0
138.05492	100.0
139.05803	1.6
150.05460	0.7
165.96736	0.7
192.99863	0.5
212.04431	0.5
215.96933	0.5
267.02054	0.5
267.11121	3.4
267.16339	3.2
278.02695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.02404	0.6
53.03952	3.3
55.01871	2.6
55.05508	8.7
57.03432	19.4
65.03934	1.0
65.10809	0.5
67.05500	15.5
69.03429	2.2
69.07071	3.0
69.21846	2.9
71.04987	2.3
79.05489	13.4
79.42271	0.5
81.03411	100.0
81.07050	16.1
82.03738	1.0
83.04981	6.0
83.08116	1.0
83.08614	14.8
85.02895	0.8
85.06512	0.7
90.96432	0.6
91.05473	18.2
93.07031	9.6
95.04962	22.4
95.08599	5.9
97.02872	1.7
97.06531	2.0
97.10151	1.5
98.98478	0.6
99.08067	0.6
105.03423	0.7
105.07021	16.2
107.04933	5.1
107.08588	4.2
109.02925	0.6
109.06509	4.1
109.10139	2.2
111.04425	1.3
111.08075	7.2
115.05429	1.6
117.07030	1.6
118.04173	0.6
119.04925	0.9
119.08571	13.9
120.08878	0.5
121.06477	2.7
121.10123	4.7
122.07160	1.2
123.08065	1.9
123.11693	1.0
125.09616	0.8
128.06227	1.0
129.06995	7.9
131.08551	7.3
132.05714	0.8
133.06477	3.9
133.10118	5.0
136.06190	0.8
137.09610	1.5
140.70633	0.6
142.07779	1.5
143.08556	0.6
145.10103	2.2
146.03607	2.7
147.08075	2.9
147.11670	8.5
149.09589	3.5
152.18381	0.5
155.08501	1.1
157.10124	10.7
159.11699	1.7
161.05943	2.7
163.03870	0.9
163.11118	1.2
165.12744	2.3
166.07425	0.6
166.77704	0.5
169.10165	2.8
171.11702	2.1
175.11189	8.0
178.06242	8.1
181.10120	0.8
182.10936	0.9
183.11674	3.4
184.30698	0.5
185.13210	1.8
193.08578	2.9
193.12227	18.9
193.20163	0.5
195.11838	0.7
196.12454	0.9
197.13174	2.5
205.12204	0.8
209.13205	0.6
211.13187	2.2
211.14876	1.9
223.14777	0.8
225.16353	2.2
249.14760	1.2
267.10165	3.6
267.15887	39.3
267.20908	10.1
268.16122	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Grangolide
Peak:m/z	Relative Intensity
50.44131	1.1
51.99511	1.1
53.03931	4.7
55.01861	4.9
55.05257	1.7
55.05508	23.7
57.03434	42.6
57.07067	1.4
59.04974	1.3
65.03923	4.0
67.05501	53.9
69.03426	3.2
69.07061	10.7
69.58803	5.9
71.04987	2.6
73.06533	1.3
79.05489	53.8
80.00393	1.0
81.03413	100.0
81.07053	51.8
82.03756	1.4
83.04977	34.8
83.08615	17.4
85.06522	2.5
88.00778	1.1
91.05476	66.9
93.07040	30.5
95.04346	1.8
95.04961	35.9
95.08592	18.6
97.02855	4.0
97.06516	5.1
97.10178	2.8
98.22777	2.3
98.98430	1.3
99.08097	1.8
102.72329	1.3
103.05460	1.7
105.03368	1.5
105.07024	43.0
107.04942	16.6
107.08588	8.0
109.06516	8.7
109.10141	2.2
111.04387	1.8
111.08096	8.3
111.82254	1.1
113.05983	1.5
115.05438	2.4
117.06992	4.3
119.08577	31.9
121.06512	3.5
121.10135	8.0
123.08057	4.2
127.07557	1.7
128.06284	1.1
129.07004	15.7
131.08560	17.8
133.06487	4.7
133.10126	28.0
137.09570	2.7
138.03758	1.7
141.06931	1.6
142.07794	6.4
145.10110	4.4
147.08063	7.2
147.11678	18.7
149.09595	7.5
155.08504	1.6
157.10130	22.0
163.11185	3.9
165.12775	2.9
175.09819	2.1
175.11191	17.7
185.13391	1.3
191.14450	1.2
192.89897	1.2
193.12230	22.1
211.13284	3.1
223.04054	1.4
249.14833	2.2
252.07690	1.4
267.15881	58.5
267.20587	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01868	7.0
55.05254	2.3
55.05508	29.6
57.03436	39.5
65.03935	4.6
67.05502	73.2
69.03426	2.5
69.07059	19.5
71.04992	5.2
71.42902	1.2
73.56501	1.1
77.03905	2.3
79.05490	82.4
81.03414	31.4
81.05066	1.3
81.07054	59.8
83.04977	51.3
83.05343	1.3
83.08627	8.9
85.02969	1.9
85.06527	3.5
91.05477	100.0
93.07040	47.3
95.04969	28.9
95.08598	25.6
96.20528	1.2
97.02880	3.9
97.06535	6.8
97.10148	1.6
99.08088	4.9
103.05434	2.1
105.04511	3.0
105.07027	55.4
107.04959	18.2
107.08583	7.2
109.06522	10.4
109.10161	3.5
111.08078	4.0
115.05448	3.1
116.06222	2.5
117.06995	3.6
119.08577	34.1
121.10123	7.8
123.08073	3.1
123.11691	2.2
127.07545	2.9
128.06277	1.7
129.07002	20.1
131.08556	19.9
133.06487	2.5
133.10120	46.1
134.10492	2.1
137.09589	1.4
142.07819	6.1
143.31122	1.2
144.05705	1.4
145.10120	6.4
147.08011	5.1
147.11671	30.2
149.09662	6.0
151.07513	1.4
157.10115	30.3
159.11673	1.5
163.11151	3.3
165.12714	3.3
175.11180	18.8
183.11678	1.4
193.12222	11.7
223.04265	1.9
247.40269	1.3
267.02631	2.9
267.09906	2.4
267.13098	2.2
267.15891	32.7
267.20993	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	267.159
Annotation	Curvularol
Peak:m/z	Relative Intensity
50.76050	1.3
51.02364	1.7
53.03926	4.9
55.01857	6.2
55.05262	1.6
55.05506	29.8
57.03434	37.7
57.07076	1.7
59.05000	1.3
65.03915	5.6
67.05498	75.0
69.03411	5.7
69.07057	25.4
69.30274	4.1
69.30663	3.2
70.04014	1.6
70.06573	3.0
71.04974	6.4
77.03917	2.7
79.05485	78.6
79.22102	1.6
80.05816	1.6
81.03413	37.8
81.07048	68.0
83.04973	47.4
83.08616	11.6
85.06530	4.8
86.09692	2.2
91.05470	100.0
91.78901	1.7
92.05790	2.1
93.07035	44.3
95.04959	26.8
95.08595	28.9
97.02880	2.6
97.06502	9.5
97.10153	2.1
98.23433	3.3
99.08067	4.9
100.07613	1.6
103.05511	1.8
105.04452	1.9
105.07016	64.7
106.07387	1.8
107.04937	17.1
107.08583	11.7
109.02863	2.9
109.06496	8.4
109.10133	3.9
111.04417	5.7
111.08058	5.3
112.07579	2.7
113.05981	3.4
115.05429	4.0
117.07011	5.4
119.08562	36.9
121.02847	2.7
121.06413	2.3
121.10131	9.3
122.07146	2.2
123.08042	5.2
123.11660	1.7
125.09586	4.2
127.07523	4.1
128.07098	1.8
129.06993	23.4
131.08546	24.6
133.06467	2.1
133.10120	49.0
135.11650	1.8
137.09584	1.9
142.07776	5.7
145.10104	5.6
147.07980	5.4
147.11665	36.4
149.09599	5.5
154.12242	5.7
157.10107	31.2
163.11153	4.2
165.01768	2.7
165.12735	4.2
167.03435	1.8
168.13831	6.9
175.11177	20.7
182.11781	8.0
193.12187	13.6
196.13278	12.8
223.54626	1.4
225.21005	1.5
239.07056	2.5
267.06668	9.2
267.09897	10.0
267.15845	43.2
267.20749	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	267.159
Annotation	Curvularol
Peak:m/z	Relative Intensity
53.03939	4.1
55.01868	5.2
55.05507	32.0
57.03432	42.3
65.03934	5.1
67.05501	74.8
69.03438	3.0
69.07060	20.1
71.04987	6.4
71.42793	2.0
73.04023	4.4
77.03922	2.6
79.05038	4.6
79.05487	76.7
79.39038	2.2
81.02957	3.9
81.03415	55.9
81.03903	3.2
81.07053	61.9
83.04974	41.0
83.08629	12.2
83.20114	2.0
85.06519	4.7
91.05472	100.0
93.07037	40.7
95.04961	31.0
95.08604	31.4
97.02922	3.6
97.06516	9.3
98.98504	3.6
99.08090	4.3
103.83934	2.1
105.04543	2.4
105.07024	53.9
107.04949	17.3
107.08581	12.3
109.06525	15.3
109.10172	5.4
111.08073	6.0
115.05479	3.9
117.07013	5.9
119.08567	32.3
121.06490	3.0
121.10099	9.6
123.08075	4.8
127.01572	3.6
127.07526	4.7
129.06995	21.3
131.08553	18.8
133.06488	3.5
133.10118	46.2
137.06000	2.2
142.07765	5.6
145.10152	7.3
147.08078	4.1
147.11671	32.2
149.09622	8.7
157.10115	29.6
163.11177	5.9
165.12756	4.5
175.11182	19.3
181.76042	2.4
192.45903	2.4
193.12231	19.0
194.19220	2.2
207.07851	2.5
233.37901	2.1
267.06390	6.6
267.09976	5.1
267.13016	4.8
267.15814	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.2
57.03428	7.8
57.07080	3.1
67.05500	20.9
69.07067	10.3
71.04991	2.8
79.04568	2.4
79.05491	8.9
81.03394	12.2
81.07053	23.6
83.05003	3.0
83.08620	10.4
87.65085	2.2
91.05488	7.3
93.07037	15.7
95.04969	8.7
95.08604	22.1
97.06519	5.5
97.10159	4.7
98.98473	4.5
99.04448	49.1
99.05090	4.0
104.99278	2.5
105.07021	6.2
107.08598	7.4
109.06519	5.3
109.10114	11.0
111.08087	5.9
114.33338	2.0
119.08589	6.0
119.86192	2.5
121.10174	5.9
123.11678	4.1
126.00308	2.2
131.08636	2.7
133.10153	4.8
136.06178	3.2
145.10193	2.6
147.11736	5.9
149.13271	3.0
158.86960	2.2
175.11247	2.5
195.13817	2.4
202.40785	2.5
220.01912	2.4
225.18483	100.0
226.18898	3.0
243.19527	5.5
249.18507	10.9
267.02545	6.1
267.13583	3.4
267.15982	5.3
267.21198	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	267.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05505	5.3
57.03425	1.4
59.55990	0.5
60.46518	0.6
65.03936	0.5
67.05497	5.5
69.07057	4.6
70.29111	0.9
70.29434	0.7
70.80267	0.5
79.05479	5.5
81.03406	6.2
81.07050	11.7
83.08599	2.5
91.05470	6.7
93.07026	7.8
95.04947	1.5
95.08596	8.1
98.98454	2.6
105.06338	1.1
105.07018	13.2
107.08581	8.0
109.10128	5.9
113.00019	1.1
115.05470	0.7
117.07008	3.4
119.08566	11.0
121.10143	4.4
123.11694	2.1
128.06224	1.2
129.06979	4.3
130.07793	0.9
131.08559	9.2
133.10110	6.1
135.11659	1.9
141.06944	3.7
142.07761	3.7
143.08559	10.3
144.09247	1.2
145.10120	10.8
147.11632	4.7
149.13245	1.0
153.07018	1.1
154.07715	1.5
155.08546	10.0
156.09322	3.8
157.10101	14.3
159.11665	12.5
161.13225	1.7
163.53423	0.5
167.08571	2.1
168.09315	2.4
169.10106	13.5
170.10843	1.2
171.11667	13.0
173.13264	8.3
175.14825	0.8
178.94955	0.9
181.10129	2.6
182.10860	2.3
183.11668	12.6
184.12276	1.0
185.13229	8.5
187.14830	1.9
193.12186	1.1
195.11671	1.4
196.12355	3.3
197.13242	16.7
198.13809	1.3
199.14799	5.1
209.13239	1.8
210.14015	1.1
211.14807	20.4
212.15416	1.7
213.16409	0.7
223.14888	1.1
224.15536	0.9
225.16342	9.1
237.16365	1.1
238.17271	1.0
239.17955	3.2
251.17661	0.6
252.18517	0.8
267.16058	3.0
267.21042	100.0
268.21368	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	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.50725	0.2
54.15413	0.2
55.01865	0.3
57.03425	0.7
57.45053	0.2
69.03413	0.2
70.55708	0.3
71.01328	0.2
73.02892	0.2
85.02886	0.5
94.04031	0.5
97.02932	0.2
97.51737	0.2
119.03567	0.9
119.65689	0.2
136.06171	100.0
137.04556	0.5
137.06615	1.2
162.51810	0.2
263.02856	0.2
268.10373	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	268.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31009	0.7
93.16396	0.5
95.99630	0.5
104.99268	100.0
176.49527	0.4
176.85579	0.4
186.91222	2.8
186.99530	16.8
204.92265	0.8
269.00323	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	269.0444
Annotation	Coumestrol
Peak:m/z	Relative Intensity
53.03962	0.4
55.01867	0.7
55.05509	0.3
58.68358	0.3
65.03940	0.7
66.93838	0.4
67.05495	1.0
68.99784	11.8
69.00159	0.6
69.03413	0.6
69.07066	0.5
70.06573	0.5
71.04988	0.4
71.42973	0.4
72.08153	0.5
77.00288	1.1
79.05508	0.6
80.41531	0.3
81.03395	1.1
81.07050	1.1
83.04977	0.5
84.04495	1.0
84.08105	0.4
85.02898	0.5
85.04818	0.5
85.07650	0.5
91.05457	1.4
91.43922	0.3
93.07027	1.2
95.01314	0.6
95.04962	1.0
95.08598	0.8
99.04401	0.4
101.74751	0.3
103.05473	1.6
105.03382	1.3
105.07014	0.9
107.08571	1.0
108.04451	0.4
109.02862	2.1
109.06509	0.6
109.10133	0.4
110.03200	0.4
111.04463	0.4
115.05438	5.8
117.07005	1.2
119.05006	0.3
119.08557	0.4
121.02811	0.5
121.06546	0.3
123.00754	0.4
123.08076	0.6
126.01062	3.7
127.05407	0.4
128.06190	0.8
129.06992	1.2
131.04930	3.1
131.08531	0.5
133.10139	0.5
135.08029	0.7
137.02379	2.4
138.01834	0.5
139.00272	6.0
139.05392	1.7
141.06984	0.9
143.04933	0.4
145.06497	4.0
145.10094	0.6
149.05952	0.4
149.09592	0.4
151.03912	0.3
153.09160	0.4
154.04929	0.4
155.03543	0.5
155.04898	7.2
155.06042	0.6
157.01300	0.5
157.06491	2.7
161.09557	0.6
163.11092	0.3
165.01839	4.5
167.03546	0.4
167.04910	1.0
167.08580	0.4
169.06459	0.5
171.04399	91.6
172.04761	2.4
173.05954	2.0
177.01909	0.4
177.05626	0.4
177.09116	0.7
183.02863	1.9
185.05946	1.5
191.10762	0.5
194.70564	0.4
195.04321	4.3
195.08183	0.4
197.06001	0.8
205.08640	0.4
206.01836	0.3
212.04852	0.4
213.05475	0.9
223.03929	9.5
223.07545	0.9
223.09561	0.6
225.05489	0.9
227.06973	0.9
236.30060	0.3
241.04939	100.0
242.05304	3.0
251.03792	1.0
251.06943	0.7
262.74255	0.3
269.04434	67.8
270.04794	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	269.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43526	0.4
68.99789	21.9
69.00163	1.1
69.83069	1.5
71.01346	1.1
77.03953	0.6
81.47613	0.5
92.99778	1.8
95.04926	0.6
95.10798	0.5
103.05468	13.0
105.03398	9.5
111.00805	5.6
115.05492	0.8
138.01868	1.5
139.00262	97.0
140.00581	0.9
153.03378	0.8
157.01350	3.6
166.01346	0.8
166.99789	2.1
171.04402	1.7
185.00839	2.7
195.04434	1.1
213.05519	1.0
223.03902	0.6
226.06241	2.6
241.04956	82.2
242.05272	2.1
254.05656	0.8
269.04456	100.0
269.07941	10.3
270.04749	3.5
270.07504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67554	0.4
54.03469	0.5
68.99788	22.9
69.18832	2.7
69.19203	0.8
71.01328	0.4
80.01427	0.4
92.98077	0.5
92.99762	1.5
95.04958	1.0
98.23404	1.0
103.05463	11.4
103.06111	0.9
105.03393	10.9
105.04500	0.6
111.00797	5.7
112.61754	0.4
115.05442	1.0
131.04851	0.5
131.85291	0.5
138.01862	3.6
139.00255	94.4
140.00665	1.1
153.03363	0.7
157.01315	3.6
166.01352	3.5
166.99768	1.4
168.02924	0.5
171.04399	2.4
178.53218	0.5
184.02440	0.7
185.00851	2.8
189.05412	0.6
195.04382	0.9
213.05481	0.8
223.03850	0.6
225.05457	1.1
226.06252	0.8
241.04944	78.3
242.05331	2.8
242.08035	0.6
243.20738	0.5
269.04425	100.0
270.04697	2.9
270.07629	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0445
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
52.32468	0.5
53.82952	0.4
56.18884	0.4
59.90071	0.4
63.90110	0.4
68.99789	27.1
69.97230	0.4
71.01334	0.5
74.42409	0.5
77.03923	0.6
83.62070	0.4
92.99774	1.9
95.04963	0.8
101.37763	0.4
103.05464	11.0
105.02689	0.6
105.03390	9.5
111.00795	4.2
115.05475	1.3
136.02463	0.4
138.01851	0.8
139.00258	86.0
139.05441	0.8
140.00591	1.4
151.04443	0.5
153.03319	1.3
157.01324	3.0
166.99760	1.2
171.04425	1.9
185.00819	3.1
195.04413	0.9
198.93643	0.4
213.05449	0.6
223.03781	0.7
241.04939	92.3
242.05289	3.3
269.04431	100.0
270.04794	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	269.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52934	0.4
59.80452	0.4
68.99789	51.3
69.77772	1.3
79.05501	0.6
87.00873	0.4
103.05480	1.8
105.07028	32.9
106.07369	0.6
131.04930	1.2
136.98776	0.5
137.02357	3.6
147.44383	0.4
152.42015	0.4
155.04922	1.3
155.06090	0.7
163.45386	0.4
164.98195	17.8
165.01836	4.8
182.99243	100.0
183.99579	1.5
186.46404	0.4
199.58061	0.4
201.00301	16.6
241.05040	0.6
269.01691	0.5
269.04446	6.4
269.07620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0445
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
51.02374	0.2
59.08694	0.3
64.75865	0.2
67.01873	0.2
68.99789	35.9
69.04699	1.4
69.76497	0.2
70.00121	0.4
71.01351	0.3
76.22462	0.2
76.51580	0.3
77.03952	0.3
92.99756	0.5
95.04971	0.4
98.23526	0.6
99.29671	0.3
103.05463	7.9
105.03388	6.8
105.04466	0.3
105.07024	0.6
111.00821	2.2
115.05444	1.0
117.58681	0.2
121.02882	0.3
127.05461	0.5
131.04926	0.8
137.02341	3.5
139.00258	45.8
139.05409	0.5
140.00603	0.5
143.04913	0.3
153.03336	1.4
155.04907	0.5
157.01329	1.6
157.06590	0.4
165.01837	7.3
166.99747	0.6
171.04411	3.6
178.63835	0.2
181.49661	0.3
182.99240	2.3
185.00758	1.8
191.82378	0.3
195.04411	1.4
213.05403	0.4
223.03870	1.8
241.04945	100.0
242.05254	3.4
243.83269	0.3
269.04431	61.0
270.04828	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0442
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
50.18549	0.3
57.28967	0.3
63.91866	0.3
65.61340	0.3
68.99783	32.9
69.95981	0.7
71.01337	0.8
77.03920	0.4
84.02132	0.4
88.47149	0.3
92.99761	1.1
95.04962	0.9
103.05460	11.7
105.03384	10.0
105.04481	0.4
111.00787	3.7
112.01582	0.3
115.05442	1.2
129.06982	0.4
131.04904	1.2
137.02353	0.4
139.00249	79.4
139.05441	0.7
140.00610	0.8
140.06174	0.3
141.06970	0.4
144.05687	0.7
145.06433	0.5
150.79279	0.3
151.05435	0.8
153.03326	1.6
155.01187	0.3
157.01315	2.6
157.06445	0.3
165.01840	1.5
166.99783	1.1
168.00540	0.9
168.05737	1.2
171.04439	2.1
179.04935	1.9
185.00845	2.3
185.05954	0.5
186.01726	0.3
195.04419	0.6
213.05391	0.8
223.03976	1.0
224.04602	0.4
241.04930	100.0
242.05312	4.0
269.04413	92.0
270.05167	30.6
284.03018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32468	0.5
53.82952	0.4
56.18884	0.4
59.90071	0.4
63.90110	0.4
68.99789	27.1
69.97230	0.4
71.01334	0.5
74.42409	0.5
77.03923	0.6
83.62070	0.4
92.99774	1.9
95.04963	0.8
101.37763	0.4
103.05464	11.0
105.02689	0.6
105.03390	9.5
111.00795	4.2
115.05475	1.3
136.02463	0.4
138.01851	0.8
139.00258	86.0
139.05441	0.8
140.00591	1.4
151.04443	0.5
153.03319	1.3
157.01324	3.0
166.99760	1.2
171.04425	1.9
185.00819	3.1
195.04413	0.9
198.93643	0.4
213.05449	0.6
223.03781	0.7
241.04939	92.3
242.05289	3.3
269.04431	100.0
270.04794	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	269.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05506	2.0
56.96565	0.5
57.03426	1.5
57.07066	0.9
58.54820	0.4
59.04997	3.7
61.02922	8.7
61.56012	0.4
65.03912	0.4
66.03465	0.5
67.05500	0.5
68.05016	0.6
69.07047	0.4
70.06567	0.5
71.04986	10.6
71.40361	0.3
79.05496	3.9
81.03424	0.5
81.07051	21.1
83.04965	0.4
83.08598	0.4
87.08091	3.3
88.02209	1.1
91.05461	0.6
93.04519	7.4
93.05104	0.3
93.07020	0.8
95.06088	5.9
95.08577	0.8
97.04017	1.0
97.06519	0.6
99.08083	1.6
105.07024	0.7
110.07160	3.2
113.09647	1.5
116.05276	0.7
119.08530	0.6
121.03977	38.0
121.10129	0.4
124.03976	0.5
125.04285	0.7
126.01040	0.8
139.05011	100.0
140.05350	1.0
144.94542	1.3
145.10002	0.4
151.11067	0.5
152.05667	2.6
153.04137	0.9
153.05974	1.8
154.45714	0.4
186.14085	0.4
205.16896	0.4
207.27136	0.5
210.52325	0.4
217.98837	0.4
223.15501	0.5
236.52522	0.4
237.12314	8.6
251.08768	0.6
267.09735	0.4
269.14938	45.8
270.06137	1.0
270.15320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05506	2.0
56.96565	0.5
57.03426	1.5
57.07066	0.9
58.54820	0.4
59.04997	3.7
61.02922	8.7
61.56012	0.4
65.03912	0.4
66.03465	0.5
67.05500	0.5
68.05016	0.6
69.07047	0.4
70.06567	0.5
71.04986	10.6
71.40361	0.3
79.05496	3.9
81.03424	0.5
81.07051	21.1
83.04965	0.4
83.08598	0.4
87.08091	3.3
88.02209	1.1
91.05461	0.6
93.04519	7.4
93.05104	0.3
93.07020	0.8
95.06088	5.9
95.08577	0.8
97.04017	1.0
97.06519	0.6
99.08083	1.6
105.07024	0.7
110.07160	3.2
113.09647	1.5
116.05276	0.7
119.08530	0.6
121.03977	38.0
121.10129	0.4
124.03976	0.5
125.04285	0.7
126.01040	0.8
139.05011	100.0
140.05350	1.0
144.94542	1.3
145.10002	0.4
151.11067	0.5
152.05667	2.6
153.04137	0.9
153.05974	1.8
154.45714	0.4
186.14085	0.4
205.16896	0.4
207.27136	0.5
210.52325	0.4
217.98837	0.4
223.15501	0.5
236.52522	0.4
237.12314	8.6
251.08768	0.6
267.09735	0.4
269.14938	45.8
270.06137	1.0
270.15320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03939	1.9
55.01855	4.2
55.05509	21.0
57.03439	25.0
57.07061	3.0
59.04994	1.1
65.03928	2.2
67.05503	75.1
68.99783	2.8
69.06716	1.9
69.07066	26.3
70.48916	1.0
70.49244	2.1
71.04996	8.2
71.08621	2.4
77.03905	1.3
79.05490	46.8
81.03378	1.6
81.07054	100.0
83.04988	8.3
83.08614	19.4
83.20820	1.0
84.08105	1.1
85.06532	5.7
88.55515	1.0
91.04945	1.8
91.05476	26.8
93.07042	68.4
94.07381	1.2
95.04962	9.0
95.08025	1.6
95.08603	25.5
97.06529	17.0
97.10144	3.0
98.22723	1.0
99.04431	1.0
99.08100	5.2
103.05466	1.5
104.99294	1.1
105.03373	1.5
105.04514	3.8
105.07009	12.5
107.08594	33.9
109.06505	2.8
109.10137	4.8
111.08102	8.1
117.07007	11.8
119.08553	4.8
121.06513	1.2
121.10156	18.1
123.08041	1.7
123.11733	4.9
129.06996	1.2
131.08575	11.8
133.10136	12.5
135.08031	2.0
135.11681	13.7
139.00270	8.2
139.11169	2.2
143.08589	1.5
145.10054	1.7
147.11664	2.7
149.09689	0.9
149.12115	2.2
149.13251	35.7
151.11166	2.1
157.10124	2.9
159.11690	24.2
161.13280	2.7
171.11713	1.7
177.12733	11.5
179.14355	1.1
183.11514	1.1
188.06233	1.1
195.12010	1.6
195.13765	13.8
199.14844	2.0
209.13249	1.1
213.16579	1.6
233.15244	1.4
238.98627	1.1
241.04941	9.3
247.74487	1.2
269.04471	8.3
269.11340	2.0
269.17429	57.6
269.22189	10.7
270.27878	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	2.5
55.01853	5.3
55.05510	23.9
57.03433	33.0
57.07063	4.4
60.82640	1.6
65.03944	4.3
67.05501	76.8
68.32936	1.9
68.99785	8.2
69.07068	27.0
71.04990	4.4
73.02908	2.8
79.05487	52.1
81.03420	2.6
81.07053	100.0
82.07440	1.9
83.04972	9.6
83.08621	17.8
85.06538	6.5
90.59780	2.4
91.05477	29.5
93.07040	71.5
95.04954	7.5
95.08608	26.6
97.06538	15.4
97.10175	2.3
99.08091	5.3
105.03384	2.7
105.04533	2.7
105.07030	12.8
105.39111	2.0
107.04926	3.2
107.08599	36.2
109.06520	4.7
109.10149	6.6
111.08086	11.5
117.07006	10.3
119.08576	6.0
121.10139	22.5
123.11696	5.0
131.08592	10.0
133.10139	13.9
135.08151	2.7
135.11728	11.7
139.00275	10.8
139.11147	2.3
143.08562	3.2
145.10110	3.7
147.11731	2.2
149.13252	43.2
151.11115	2.0
152.09290	1.9
157.10092	3.7
159.11684	28.0
173.13277	4.4
177.12767	8.2
195.11592	2.8
195.13780	13.8
199.14803	2.6
227.96457	1.9
241.04956	21.9
244.28221	1.8
269.04480	19.1
269.07108	2.7
269.11404	2.3
269.17456	47.7
269.22482	18.9
270.27948	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01870	3.1
55.05505	20.2
57.03433	33.9
57.07071	2.8
65.03941	1.9
67.05499	77.9
69.03417	0.7
69.07062	27.7
69.16171	2.6
69.16577	1.2
71.04980	5.8
71.08622	1.0
71.20942	0.6
73.02901	1.1
73.06499	0.9
76.01226	0.6
77.03928	2.2
79.05486	41.9
79.47803	0.7
80.75221	0.5
81.03419	1.5
81.07049	100.0
82.07403	1.2
83.04976	7.8
83.08612	18.7
85.02936	0.9
85.06539	6.7
91.05472	26.1
93.07037	64.2
94.07370	1.2
95.04964	7.7
95.08599	25.4
97.06519	17.1
97.07110	1.0
97.10179	1.6
99.04453	1.4
99.08057	4.1
105.04494	1.6
105.07009	9.9
107.08588	36.0
109.06506	3.5
109.10132	3.9
111.08079	8.3
111.11717	0.8
113.06002	0.9
115.05451	0.9
117.07010	11.8
119.08566	3.9
121.06519	1.6
121.10130	16.7
123.08061	0.7
123.11695	4.4
125.09616	0.7
127.07520	1.0
131.08551	12.1
133.10112	13.5
133.11142	0.7
135.08037	1.3
135.11681	12.6
139.11166	1.6
140.51106	0.7
145.10226	0.6
147.11708	2.2
149.09624	1.1
149.13243	39.2
150.13577	0.9
151.11169	1.7
157.10147	1.2
159.11681	20.0
161.13243	1.4
165.12683	0.7
167.14267	1.4
171.11732	0.9
173.13304	0.6
177.12733	10.1
178.13089	0.7
195.13782	12.7
199.14857	0.8
213.16496	0.9
241.04942	1.1
269.04453	2.0
269.17438	46.5
269.22488	3.0
270.17783	1.2
273.87640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03945	2.0
53.51030	1.0
55.01860	2.8
55.05255	1.6
55.05508	20.9
56.08909	1.0
57.03434	33.1
57.07068	5.6
58.06566	1.8
65.03921	1.7
67.05499	76.8
69.03407	1.4
69.06714	1.8
69.07066	26.4
69.69273	2.1
69.69668	2.4
71.04995	5.8
71.08623	1.2
73.02892	1.1
77.03925	2.3
79.05487	44.5
81.03407	2.1
81.07050	100.0
83.04974	9.7
83.08614	20.4
85.06526	4.2
91.05470	25.5
93.07040	66.3
95.04949	10.5
95.08018	2.3
95.08597	27.6
97.06518	15.7
97.10157	3.2
99.04408	1.3
99.08079	3.9
100.78018	1.1
105.04507	2.3
105.07014	12.8
107.08587	36.5
108.08922	1.8
109.06517	2.5
109.10157	7.1
109.87762	1.2
111.08075	10.5
117.07014	11.2
119.06046	1.3
119.08554	4.4
121.06482	2.3
121.10139	17.8
123.11700	4.3
125.09660	1.9
127.07611	1.3
129.06984	2.0
131.08548	14.0
133.10103	13.5
135.08012	2.6
135.11685	14.1
139.11197	2.3
143.08566	2.5
145.10114	2.0
147.11658	2.1
149.09573	1.3
149.13249	43.4
151.11140	2.6
157.10089	2.8
159.11681	23.5
171.11621	2.0
172.69978	1.1
177.12712	11.9
185.13264	2.2
195.13786	12.1
213.14771	1.4
269.08044	4.5
269.11307	1.8
269.14728	2.9
269.17444	50.0
269.22632	6.1
270.27859	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	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03954	1.3
55.01865	2.6
55.05256	1.8
55.05507	22.6
57.03434	28.8
57.07055	3.5
58.06585	1.5
65.03925	2.7
67.05501	83.3
69.03397	1.4
69.07066	31.4
70.08466	1.1
71.01369	1.1
71.05003	6.2
71.08609	1.1
76.13874	1.0
77.03916	1.5
79.05486	47.3
81.03394	1.8
81.07051	100.0
83.04974	9.7
83.08617	21.3
84.08130	1.2
85.06535	8.6
91.05472	25.3
93.07039	69.6
94.07368	1.2
95.04964	10.7
95.08022	2.2
95.08601	29.7
97.06527	17.0
97.10127	2.8
99.04443	1.4
99.08075	5.9
105.04483	3.2
105.07021	11.8
105.21066	1.1
107.04881	1.2
107.08584	38.9
109.06498	4.8
109.10159	6.6
110.74611	1.0
111.08070	9.4
113.06036	1.2
115.05421	1.2
117.07011	12.4
119.08575	4.6
121.06466	1.6
121.10126	17.2
123.11692	6.1
129.06973	1.9
131.08569	12.6
133.10123	14.4
133.36902	1.3
135.08015	3.8
135.11685	14.2
147.11682	2.4
149.13242	41.2
151.11151	2.3
157.10216	1.5
159.11670	27.9
161.13229	2.2
167.14311	1.6
177.12703	14.0
179.14339	1.2
195.13768	14.0
197.50507	1.1
211.14618	1.2
213.14809	1.3
223.84085	1.3
251.20219	1.2
269.01971	1.1
269.04309	5.2
269.11325	2.0
269.17429	60.0
269.22595	4.1
270.27917	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02370	0.6
51.35516	0.5
53.03949	2.1
55.01868	2.2
55.05506	23.5
57.03433	29.7
57.07068	2.7
59.04997	0.6
65.03936	3.0
67.05499	79.1
68.05832	1.3
69.07063	26.7
69.15297	4.0
71.04988	5.7
73.02924	1.1
77.03925	1.6
79.05487	43.9
81.03410	1.9
81.07050	100.0
82.07381	1.3
83.04973	9.6
83.08614	19.4
85.06530	7.1
88.78696	0.6
91.04975	0.5
91.05469	26.3
93.07039	65.0
94.07382	1.0
95.04967	7.4
95.08597	23.4
97.06527	14.9
97.10166	2.2
98.22700	1.1
99.08098	3.6
99.56298	0.7
105.04498	1.5
105.07028	10.1
107.08588	29.1
109.06537	3.6
109.10139	4.5
111.08082	8.4
113.06012	1.4
113.09651	0.9
116.35809	0.6
117.07002	12.0
119.06030	0.8
119.08566	3.7
121.06486	1.7
121.10137	16.1
123.11713	4.0
127.07570	1.1
131.08556	11.2
131.09471	1.0
133.09142	0.5
133.10114	13.2
135.08058	1.7
135.11684	11.6
139.00246	1.0
139.11195	1.6
147.11676	1.6
149.09598	1.0
149.13243	40.0
151.11214	1.5
157.10158	1.2
159.11681	22.2
160.12000	1.0
161.13255	1.6
167.14357	1.6
177.12735	11.1
179.14308	1.6
195.13797	12.5
213.14804	1.9
261.99976	0.6
269.04343	1.1
269.17447	57.3
270.17767	1.3
285.42371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03936	2.7
55.01860	1.7
55.05260	1.4
55.05508	22.8
57.03434	29.7
57.07045	2.1
61.75327	1.2
65.03924	1.7
67.05499	72.6
69.06709	2.0
69.07062	26.5
69.37838	5.9
71.04990	5.6
77.03912	2.6
79.05489	46.3
81.03412	2.2
81.07049	100.0
83.04978	8.3
83.08611	20.4
85.06522	5.0
91.05475	29.4
93.07037	64.4
93.86902	1.2
95.04960	7.0
95.08598	21.1
97.06512	14.3
97.10120	1.8
99.08091	4.7
101.65890	1.1
105.04507	2.3
105.07015	9.3
107.08588	29.3
107.10243	1.0
109.06507	3.6
109.10130	3.0
111.08077	8.4
117.06995	9.1
119.08574	2.7
121.10131	18.4
123.11681	4.4
131.08563	11.6
133.10112	14.2
135.08037	1.7
135.11702	9.2
139.00272	2.5
146.50018	1.1
147.11646	1.6
149.13246	43.5
151.11189	2.7
159.11691	23.3
174.10442	1.3
177.12706	11.4
189.26175	1.1
195.13815	12.8
241.04811	2.4
266.49060	1.2
269.04446	2.1
269.17450	54.3
270.17856	2.1
270.27866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03933	2.2
55.01879	2.3
55.05510	21.2
57.03437	28.6
57.07064	5.7
57.50258	1.1
58.06581	3.9
62.95685	1.1
65.03928	3.2
67.05501	77.7
68.05827	1.1
68.99762	1.8
69.06721	1.7
69.07067	28.2
70.54979	1.5
70.55312	1.9
71.04996	6.2
73.63690	1.2
75.38698	1.3
77.03920	1.3
79.05489	47.1
81.07053	100.0
83.04973	8.6
83.08605	20.2
84.08138	3.5
85.06533	4.9
91.04939	1.8
91.05485	25.2
93.07042	63.1
94.07352	1.5
95.04971	8.8
95.08031	1.8
95.08598	25.4
97.06530	14.2
97.10155	2.1
99.08071	4.1
105.04537	2.0
105.07008	12.2
107.08589	31.4
109.06503	3.4
109.10159	6.0
111.08080	7.7
113.05957	1.3
113.09646	1.3
117.07015	10.1
119.08578	2.7
121.06489	1.9
121.10140	16.8
123.11696	4.7
125.09689	1.9
129.07060	1.8
131.08569	12.9
133.10126	12.6
135.08051	1.8
135.11688	11.7
139.00266	4.0
143.08507	1.3
147.11642	3.2
149.13249	38.0
151.11134	1.6
154.15553	1.2
157.10078	2.1
159.11697	23.7
161.13237	2.4
167.14131	1.3
175.54761	1.2
177.12708	11.4
195.13815	13.5
213.16428	1.4
241.04985	4.9
269.04443	3.1
269.07800	1.5
269.17450	51.5
269.22589	5.4
270.17825	2.0
270.27893	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
51.69364	1.1
52.10237	1.2
52.14904	1.1
53.03936	1.7
55.01876	1.8
55.05510	27.1
57.03435	23.9
57.07068	2.6
61.01161	1.6
65.03945	2.1
67.05502	70.5
69.03425	1.7
69.07068	20.5
71.04990	7.3
71.42818	1.9
71.66982	1.1
79.05489	43.1
81.03414	2.9
81.07053	100.0
83.04983	7.9
83.08624	19.9
85.06538	7.3
91.05479	26.7
93.06447	2.9
93.07040	60.8
95.04980	8.7
95.08598	23.5
97.06533	15.4
97.10175	3.3
99.08109	4.5
105.04525	2.9
105.07021	13.8
107.08591	30.3
109.06535	4.8
109.10167	3.8
110.07172	4.1
111.08062	7.6
113.09741	1.8
117.07017	12.3
119.08573	6.2
121.02817	1.2
121.06484	1.9
121.10159	12.1
123.08092	2.2
123.11689	5.9
125.09614	1.8
127.01525	1.3
131.08559	12.9
133.10133	16.2
135.08092	3.1
135.11678	12.9
139.07545	2.6
149.06030	1.7
149.13246	31.2
149.14427	1.6
151.11212	1.7
155.08537	1.3
157.10132	2.4
159.08376	3.5
159.11682	24.4
161.13260	1.9
165.07088	1.7
167.08501	1.6
169.10115	3.6
171.11673	1.6
177.12711	11.1
179.08565	2.6
179.14339	2.0
181.10172	4.5
183.11679	2.2
193.10158	3.1
194.11021	2.1
195.11795	3.2
195.13844	11.2
202.12451	1.2
204.62912	1.3
208.12563	2.9
209.13284	1.5
213.12891	1.4
213.14862	2.9
223.14818	9.9
241.15865	2.2
251.14380	4.8
252.12460	2.6
269.04654	2.8
269.15408	5.2
269.17569	55.5
284.67154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1898
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
55.05495	2.4
57.07053	0.7
59.85765	0.6
67.05499	5.5
69.07062	2.1
69.10654	1.0
69.11063	2.9
79.05481	5.3
81.03415	9.1
81.07059	9.2
83.04977	0.9
83.08598	2.0
83.33466	0.6
84.92759	0.7
85.06516	0.9
91.05477	7.1
93.07044	7.2
95.04944	3.4
95.08594	9.7
97.06532	1.1
105.07021	9.7
107.04944	1.0
107.08596	6.3
109.06530	3.2
109.10133	3.0
115.05476	0.9
117.07006	3.7
117.24300	0.6
119.08569	9.1
121.06479	1.7
121.10128	3.2
123.08051	1.3
124.45858	0.6
128.06236	2.0
128.98122	0.6
129.06996	4.8
131.08545	8.7
133.06491	1.5
133.10139	5.2
135.08032	0.8
135.11667	1.0
141.06967	2.4
142.07808	3.5
143.08556	10.0
144.09378	1.4
145.06470	1.5
145.10129	11.9
147.08028	2.3
147.11655	4.1
153.06955	1.3
154.07761	1.2
155.08540	6.5
156.09308	4.1
157.10104	11.1
158.10843	0.8
159.08080	1.7
159.11687	8.8
161.09619	4.0
161.13272	5.3
165.06989	2.0
166.07651	1.2
167.08591	4.0
167.78218	0.6
168.09320	2.8
169.10118	8.2
170.10771	0.9
171.08035	1.7
171.11710	8.8
173.09612	2.6
173.13268	4.3
175.11166	1.4
175.14917	0.8
179.08559	3.2
180.09285	1.5
181.10110	8.0
182.10854	1.9
183.08104	0.8
183.11664	11.4
184.12344	0.9
185.09637	3.2
185.13223	9.4
186.14128	0.7
187.11197	3.1
187.14793	7.2
189.12692	1.4
193.10159	3.0
194.10896	2.7
195.11671	9.4
196.12402	1.5
197.13287	5.0
198.13792	0.7
199.11139	3.1
199.14796	5.6
201.12749	1.7
207.11688	2.6
208.12376	1.9
209.13263	9.6
210.13956	2.6
211.11023	0.8
211.14758	3.5
213.12766	3.2
213.16351	1.8
221.13263	3.1
222.14040	2.6
223.14777	5.8
225.12852	1.1
225.16353	12.4
226.13481	0.6
226.16725	0.7
227.14313	3.2
227.17935	2.0
236.15593	3.0
239.18095	1.2
240.18637	0.8
241.15836	1.3
241.19487	10.1
251.14169	1.5
251.17949	18.9
251.20583	0.9
269.15823	3.3
269.18979	100.0
270.19366	3.4
270.28043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.01865	1.3
55.05502	7.0
56.05016	0.8
57.03423	0.7
57.07046	1.0
60.05639	2.4
61.02631	0.6
67.05499	3.6
69.03404	1.0
69.07027	0.7
69.41484	3.1
70.06593	3.9
71.04967	2.0
72.08149	15.1
77.03910	0.7
79.05475	2.6
81.07043	2.5
82.08257	0.7
82.50444	0.7
83.05006	0.7
83.06094	1.8
84.04507	1.5
91.05477	6.4
93.04517	0.8
93.06439	1.4
93.07038	25.7
95.04971	4.1
95.08601	11.8
97.06520	2.0
97.07637	6.0
98.06048	20.7
98.23441	1.4
103.05467	3.0
105.04506	1.4
105.06989	1.3
107.08603	0.9
110.07155	13.5
110.07837	1.2
111.08057	1.2
112.08725	2.5
114.10280	21.6
115.08686	11.4
116.98575	0.9
119.12550	0.6
121.03986	2.1
121.06495	47.2
122.09650	1.0
123.08060	1.4
124.03958	0.7
125.13000	0.7
126.05494	1.2
130.04977	0.8
131.12897	1.5
136.06210	1.2
138.09084	1.5
139.05008	2.6
139.07516	3.2
140.08160	2.8
140.10614	0.7
141.32483	0.8
150.09106	1.6
156.07692	2.2
157.10841	17.9
179.15436	0.8
180.13832	1.5
181.05017	1.5
191.15425	4.5
192.13820	10.4
196.23907	0.7
209.16460	3.9
210.14861	4.2
222.16014	1.0
222.51355	0.6
234.15984	10.7
235.14204	0.8
251.18570	8.2
252.16988	1.1
269.19696	100.0
270.19904	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	270.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
56.02651	0.3
66.01064	0.1
68.99780	3.4
69.96636	0.2
70.00557	0.2
71.01339	0.3
77.03562	0.1
77.03933	0.1
78.04700	0.2
80.24473	0.1
84.02114	0.9
91.05453	0.2
92.99735	0.1
95.01300	0.1
95.04943	0.2
96.90714	0.1
99.00790	0.3
102.04678	0.2
103.05454	2.2
104.05664	0.1
104.06248	1.1
105.03373	1.4
105.04474	0.1
105.07033	0.4
110.00001	0.1
110.02379	0.1
111.00800	0.1
112.01571	1.6
115.05431	0.7
116.06220	1.5
116.06883	0.0
117.06989	0.2
123.00789	0.4
124.01530	0.1
126.04628	0.2
127.00251	0.4
127.05421	0.2
128.06190	0.3
129.03314	0.1
129.06984	0.5
130.07788	0.2
130.83170	0.1
131.04915	2.3
138.01839	0.3
138.62959	0.1
139.00244	2.3
139.05392	0.9
139.99626	0.1
140.01067	1.8
140.06197	2.0
141.06987	1.4
142.04121	0.3
143.04852	0.1
144.05688	2.8
145.06482	0.7
147.04367	0.2
150.04770	0.1
151.05403	2.6
152.06125	0.3
153.01784	0.2
154.04124	0.1
154.99695	0.1
155.04912	1.4
155.06052	0.2
156.05577	0.1
157.01367	0.1
157.06500	0.4
158.07225	0.3
165.01768	0.1
166.01295	0.2
166.99734	0.4
167.02136	0.2
167.04817	0.1
168.00529	2.7
168.05687	4.1
169.06451	1.0
170.03558	0.2
170.07133	0.1
171.04378	2.0
172.05048	0.7
173.05959	0.3
179.04893	7.9
180.05293	0.2
183.04361	0.1
184.02325	0.1
185.00795	1.7
185.05975	0.6
186.01578	1.5
186.06749	0.5
188.04620	0.2
195.04379	0.4
196.05133	0.9
197.05962	0.8
199.03886	0.8
200.04657	0.2
210.03151	0.1
213.05457	1.6
214.05830	0.1
217.04893	0.3
218.05687	0.9
223.03888	0.2
224.04649	1.2
225.05496	0.4
241.04938	3.5
242.05609	3.7
243.06168	0.2
252.04211	0.8
253.04779	0.2
269.04419	2.9
270.05176	100.0
271.05713	6.2
284.03122	1.5
285.03415	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	270.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
56.96551	4.9
57.03417	5.8
61.02900	2.5
69.03418	4.1
69.07057	13.3
70.06592	31.9
70.82528	1.9
71.41842	2.2
72.08131	13.4
73.06551	4.6
79.05491	2.6
80.05006	2.7
84.08111	3.9
85.02898	14.2
86.09695	11.3
88.14178	2.1
89.94333	2.0
92.05003	4.0
94.08100	2.5
94.59682	2.2
95.06093	3.2
96.04482	2.1
97.02892	4.7
97.06510	9.2
98.97569	8.1
101.00861	2.7
108.08113	2.8
110.06018	8.9
110.07159	20.2
111.06783	2.6
111.07487	6.2
115.03932	2.5
116.07118	3.1
116.98598	6.5
119.01961	4.2
122.06012	3.7
124.03948	49.5
124.85080	2.0
127.01593	2.8
127.08685	7.8
129.09099	4.7
134.99594	2.7
136.06189	2.9
137.10730	2.3
138.05496	100.0
139.05800	3.7
145.04855	2.4
147.04129	1.9
150.09125	10.7
152.10638	2.8
155.08112	5.3
157.08136	2.6
177.00742	2.1
181.00488	3.5
187.72301	2.1
194.09286	13.0
212.10661	2.3
215.09953	2.5
216.98676	2.7
218.89395	2.0
220.02144	5.1
221.16425	3.3
223.01558	4.5
224.13953	5.0
234.99673	2.5
238.19051	5.2
247.01546	5.7
263.18390	2.2
265.02576	16.9
270.09552	4.5
270.13577	17.8
270.21570	2.0
270.27740	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	270.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86553	0.5
55.14273	0.6
60.08161	5.8
70.90701	0.7
94.93001	1.3
104.10737	100.0
112.36185	0.6
112.89593	0.6
114.89323	1.1
115.91438	0.6
136.94022	3.9
150.91997	1.7
158.90709	0.5
190.95107	1.0
196.15341	0.5
196.87874	0.6
212.85181	0.6
252.95346	0.6
270.96057	4.6
274.96661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.279
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
55.05499	0.4
56.05002	0.4
57.03410	0.3
57.05800	0.6
57.07068	7.1
58.06593	22.3
66.79443	0.3
67.01851	0.9
67.05482	0.5
68.99788	0.4
70.06579	0.6
71.08630	3.1
71.41785	0.3
71.42194	0.4
72.08146	3.0
79.05466	0.3
79.45422	0.2
81.07047	0.5
83.08630	0.3
84.08134	16.4
85.10162	1.1
88.47858	0.2
91.05466	0.9
95.08563	0.4
100.07574	0.7
102.08517	0.5
102.09164	6.7
104.86118	0.3
114.70308	0.2
119.04932	2.8
121.02833	0.8
129.01758	0.3
145.02826	1.0
153.00632	0.5
153.01816	6.7
163.03841	0.6
171.02866	0.8
196.08621	0.3
212.23676	1.0
214.25244	0.8
225.05397	0.5
229.04955	0.5
243.06308	0.3
257.26740	0.3
270.27869	100.0
271.05966	60.3
271.28162	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	270.9616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20560	3.8
56.16486	3.5
60.08151	4.6
70.06586	5.1
70.91501	5.7
94.93019	26.0
104.10737	96.6
105.11076	10.0
112.89597	6.0
114.89342	10.2
122.92387	8.8
126.80142	4.0
134.11768	7.5
136.94019	100.0
136.95006	8.1
148.93979	9.3
150.91934	30.9
152.93547	5.5
164.93518	14.0
180.93028	19.7
190.95108	13.8
192.92998	4.2
196.87740	6.0
206.94543	5.7
210.94090	24.2
212.85152	10.9
252.95143	17.6
270.96185	88.9
287.37195	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	270.9618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10298	3.6
63.16725	3.6
70.85371	8.2
73.07674	3.5
94.93015	23.9
114.89371	5.7
120.78185	4.0
122.92520	5.1
126.88468	4.2
136.94020	98.1
148.94032	13.9
150.91949	34.6
162.54105	4.3
164.93536	12.8
166.95158	6.3
176.93529	10.4
180.93015	19.8
190.95074	25.8
196.18474	3.9
196.87766	18.7
206.94560	8.3
210.94043	25.7
212.85248	21.5
234.94116	8.9
252.95139	21.6
270.96130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45823	1.5
56.96564	14.0
57.03431	3.8
60.08160	2.3
67.05503	2.6
69.07069	12.5
70.06591	27.1
70.07397	6.9
71.05015	1.9
71.06687	1.9
72.08166	2.8
79.05505	2.1
81.07041	2.2
83.06122	2.3
84.08154	13.7
86.09714	17.2
92.04994	15.8
93.04536	2.0
95.06079	2.6
97.06540	4.9
98.06853	2.7
98.97582	16.3
109.97531	1.7
110.06030	25.3
110.07153	20.5
111.07490	1.8
112.08717	3.4
114.99947	1.6
116.07085	2.2
116.98628	9.9
119.01945	6.0
121.07661	4.4
124.02570	1.9
124.03954	27.0
125.04296	22.6
127.01573	2.0
127.03555	2.4
129.05083	3.0
129.09071	2.1
130.09479	3.7
130.93251	1.6
131.01900	15.2
133.03482	3.3
134.99655	6.7
136.93068	2.0
137.02982	2.2
138.05492	3.5
139.05849	6.6
141.03893	1.9
142.01001	6.3
142.03571	3.6
142.04584	4.1
143.01765	5.4
144.06189	5.7
145.04556	2.9
149.02974	5.8
149.07095	4.3
154.94164	2.7
155.02989	2.2
156.07727	2.5
157.03343	4.7
158.02982	4.3
158.99651	5.6
159.04933	11.8
160.01987	2.2
160.04559	1.8
161.02820	3.6
162.07219	2.2
163.05608	5.5
165.08955	2.3
166.09724	15.7
167.03041	4.4
167.08118	2.6
168.03787	19.2
171.03670	3.9
172.95236	7.2
175.12068	2.4
176.04063	2.2
177.00835	4.8
177.06631	2.1
178.04587	3.3
179.05392	12.5
183.06200	3.5
186.04927	4.4
189.02698	2.3
189.04657	42.8
190.04869	2.3
190.96312	2.6
194.09235	62.9
196.05725	5.7
197.06380	15.8
197.07794	2.1
207.05734	55.7
207.07664	3.3
212.08470	2.5
212.10306	16.8
213.03949	2.5
213.05913	11.5
219.01959	2.4
225.04742	7.1
229.00401	7.2
229.11945	1.9
230.08885	3.2
234.99535	2.9
243.05730	70.5
244.05940	4.0
244.10281	4.1
248.04016	3.6
248.08022	4.6
253.00455	16.6
254.14992	3.0
261.06787	3.6
271.01379	7.5
271.05234	56.8
271.11243	3.5
271.13751	21.8
271.17783	9.0
272.05533	2.5
272.09644	4.4
272.15961	11.1
289.06299	100.0
290.06537	3.8
290.10745	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	271.0593
Annotation	Baicalein
Peak:m/z	Relative Intensity
54.09150	0.1
54.40707	0.1
55.01862	0.2
66.01909	0.1
66.54341	0.1
68.99791	2.2
71.53479	0.1
95.01324	2.3
95.04999	0.3
103.04783	0.2
103.05464	4.0
105.03384	1.6
105.06948	0.1
115.05441	0.2
122.38127	0.1
123.00790	16.2
129.03311	0.2
139.00212	0.3
141.00858	0.2
141.01819	1.1
141.06987	0.7
145.06448	0.1
151.00256	0.5
166.99741	0.3
169.01323	3.2
169.06479	0.4
179.04906	0.3
185.00813	2.1
197.05957	0.4
207.04391	0.3
225.05441	1.7
229.04961	0.7
253.04951	3.8
254.05452	0.2
270.05341	0.2
271.05991	100.0
272.06320	3.7
280.26553	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	271.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.3
55.05509	0.5
57.07068	0.8
58.06590	1.4
58.56923	0.3
67.01860	1.2
67.05487	0.4
67.47781	0.3
68.99788	17.1
69.46701	1.4
70.91702	0.3
79.05505	0.5
81.07063	0.5
84.08150	1.1
91.05479	2.1
93.07044	0.5
95.01299	0.4
95.08598	0.6
103.05444	0.6
105.03373	0.4
105.07045	2.6
109.10117	0.4
109.61261	0.3
115.05397	0.4
119.04931	4.3
119.08605	0.4
121.02839	1.2
121.10106	0.3
122.39689	0.3
123.00778	2.0
129.01822	0.4
131.04919	0.4
139.00249	0.9
141.07008	0.8
145.02815	1.2
145.06499	0.4
145.10109	0.6
153.00635	0.6
153.01831	9.1
153.06993	0.9
155.08528	0.4
159.08055	1.3
163.03929	0.9
165.07030	2.3
166.99715	0.8
167.41666	0.4
169.01343	0.8
169.06499	0.3
171.02888	1.2
181.06471	0.5
183.08060	1.1
185.00809	14.7
193.10313	0.4
211.07578	1.0
215.17964	0.4
219.02266	0.4
225.05391	1.0
228.07764	0.4
243.06468	1.3
253.04953	1.2
270.27924	5.2
271.05997	100.0
271.16943	1.0
271.24033	0.6
271.28082	2.0
272.06366	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	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
54.90945	0.4
59.49876	0.5
63.29267	0.4
67.01845	0.7
68.99785	83.7
69.95740	1.2
70.00129	0.7
78.65810	0.4
85.02907	0.4
85.78046	0.4
91.05473	5.9
95.01305	0.6
95.04937	0.6
98.22714	0.7
99.06952	0.4
103.05457	3.3
105.03385	1.4
105.07019	11.7
105.07739	0.6
111.00784	1.0
114.12357	0.5
119.04932	1.1
123.00793	2.3
136.92128	0.4
139.00255	10.0
141.06952	1.0
153.01813	25.2
166.99751	12.5
167.02065	0.8
168.02879	1.3
169.01323	4.6
185.00798	67.7
186.01144	0.6
196.39607	0.4
197.06055	0.6
215.07056	1.8
225.05421	1.7
243.06351	2.0
253.04961	1.3
261.32574	0.5
271.05978	100.0
272.06476	2.3
272.09030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Galangin
Peak:m/z	Relative Intensity
50.67957	0.3
57.49647	0.3
64.23458	0.3
68.99788	46.2
69.87934	1.1
70.00134	0.5
71.01349	0.4
73.08603	0.4
92.10159	0.3
95.01301	2.1
103.05457	4.9
105.03386	2.0
105.07024	5.7
108.85863	0.4
111.00748	0.9
116.06524	0.3
123.00793	15.6
139.00253	4.8
140.03419	0.5
141.01813	0.8
141.07001	1.2
147.14240	0.4
151.00269	0.7
155.04816	0.4
165.01767	0.5
166.99762	7.4
167.02013	0.8
168.02927	2.1
169.01312	4.0
169.06560	0.4
179.04970	0.5
185.00809	35.9
186.01239	0.5
197.06012	0.7
215.07036	0.7
225.05370	1.7
243.06378	0.4
253.04961	4.6
271.05991	100.0
272.06317	3.5
272.09100	0.8
278.47665	0.4
287.26889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
68.99789	100.0
69.19380	2.9
71.01369	0.7
79.05470	0.5
89.61346	0.5
89.61918	0.5
91.05492	0.6
92.99748	0.7
103.05473	1.5
105.03393	0.5
105.06350	1.0
105.07027	15.8
105.07742	0.8
111.00797	1.5
123.00782	2.0
138.01915	0.5
139.00249	11.7
140.03383	0.6
144.29912	0.4
146.49773	0.5
157.01360	0.6
166.99757	16.5
167.02095	2.0
168.00259	0.4
168.02879	2.6
169.01344	1.3
185.00806	86.5
186.01065	1.3
215.07083	1.3
225.05423	2.2
228.97815	0.5
243.06522	3.2
253.04961	1.1
265.05994	0.5
271.05969	25.6
272.09204	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	271.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.07072	0.3
58.06582	0.5
67.01858	0.6
68.05662	0.1
68.99784	1.9
70.30916	0.3
71.01350	0.3
77.03924	0.2
84.05331	0.1
84.08143	0.2
91.05455	0.7
95.01296	0.3
95.04970	0.5
97.00066	0.1
103.05455	3.9
105.03377	2.0
113.02392	0.3
115.05457	0.3
119.04934	2.4
121.02881	0.6
123.00787	1.4
129.03326	1.1
131.04909	0.2
139.00261	0.2
141.01781	0.3
141.06981	1.1
145.02826	0.6
147.04440	0.3
151.00258	0.5
153.01808	5.0
153.03067	0.2
153.06987	0.2
155.04883	0.3
157.06456	0.2
163.03909	0.4
165.06998	0.3
168.99881	0.3
169.01308	5.2
169.06453	0.4
171.02826	0.3
173.05949	0.6
183.08186	0.2
185.00826	0.4
187.03899	0.3
197.05959	0.5
211.07568	0.3
214.47774	0.2
215.07040	0.5
225.05400	1.0
229.05023	0.4
242.04138	0.2
243.06418	0.4
253.04936	0.3
270.05231	0.2
270.27872	1.8
271.05972	100.0
271.28143	0.6
272.06317	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	271.0599
Annotation	Baicalein
Peak:m/z	Relative Intensity
53.00282	0.1
55.01876	0.2
56.83870	0.1
59.57833	0.1
61.37451	0.1
68.99787	4.0
69.34872	0.3
69.35286	0.1
69.71706	0.1
73.11407	0.1
77.03934	0.2
87.76782	0.1
95.00719	0.2
95.01330	2.4
95.04952	0.3
103.05465	4.2
104.51694	0.1
105.03388	1.7
105.04491	0.1
105.07024	0.4
113.02389	0.1
115.05452	0.3
123.00787	15.8
124.01144	0.3
129.03311	0.3
131.04887	0.1
132.70660	0.1
139.00262	0.5
140.00552	0.1
141.01813	1.2
141.06963	0.6
145.06438	0.1
151.00267	0.5
151.05382	0.2
153.03336	0.1
155.04933	0.2
164.57401	0.1
166.99748	0.6
169.01318	3.4
169.06427	0.2
179.04892	0.4
185.00824	2.5
197.06012	0.4
207.04414	0.3
211.03897	0.1
215.07072	0.1
225.05440	1.8
226.05856	0.1
229.04985	0.6
242.05367	0.2
243.05664	0.3
253.04944	4.5
254.05365	0.2
270.05173	0.2
271.05988	100.0
272.06339	4.1
272.08670	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	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.98055	0.2
64.93636	0.2
67.01866	1.8
68.99786	40.5
69.96320	0.7
70.00123	0.3
71.01355	0.5
79.05502	0.2
91.05491	1.9
92.99763	0.4
103.05464	0.8
105.07026	5.9
105.07734	0.3
111.00796	0.7
119.04931	4.9
121.02873	1.7
123.00813	0.7
129.01810	0.3
131.04950	0.6
131.09410	0.2
139.00253	4.3
141.07019	0.5
145.02831	1.6
153.01819	10.8
155.04868	0.2
157.01297	0.4
163.03879	0.8
165.01851	0.4
166.99750	5.7
168.02904	0.5
169.01262	0.5
169.06430	0.4
171.02850	0.7
185.00809	34.0
186.01152	0.5
187.00891	0.2
187.03897	0.3
197.05989	0.8
213.79510	0.2
215.06999	0.8
225.05418	1.4
229.04935	0.7
243.06438	1.7
253.04897	1.0
271.05984	100.0
272.06335	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	271.0597
Annotation	Apigenin
Peak:m/z	Relative Intensity
67.01865	1.0
67.05523	0.1
68.99785	3.0
69.07053	0.1
69.44818	0.3
69.45210	0.2
70.12350	0.1
71.01355	0.1
77.03928	0.1
78.41940	0.1
79.05484	0.1
81.07080	0.1
86.83895	0.1
89.22263	0.1
89.27305	0.1
91.05472	1.2
93.07012	0.1
95.01266	0.2
95.04947	0.3
96.86651	0.1
97.02877	0.1
103.05458	2.2
105.03386	1.4
105.07009	0.4
111.00777	0.2
113.02348	0.2
115.05461	0.2
119.04939	3.2
121.02854	1.0
123.00774	0.9
129.01836	0.2
129.03349	0.8
130.95427	0.1
139.00267	0.3
141.00815	0.1
141.01855	0.2
141.06984	0.9
145.02838	0.7
147.04411	0.3
151.00255	0.3
152.06212	0.2
153.01816	6.0
153.06941	0.2
154.02089	0.2
157.06477	0.1
163.03877	0.5
165.07010	0.3
168.05812	0.1
168.99878	0.2
169.01306	3.5
169.02715	0.2
169.06458	0.4
171.02893	0.6
173.05951	0.4
181.06422	0.1
183.07945	0.2
185.00793	1.9
185.05984	0.1
187.03926	0.3
187.07561	0.1
193.06454	0.1
197.05969	0.3
201.05533	0.1
203.06897	0.1
211.07465	0.2
215.06934	0.4
225.05469	0.6
225.10136	0.1
229.04909	0.4
243.06398	0.4
253.04938	0.4
270.05164	0.2
271.05978	100.0
272.06339	3.2
276.82401	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	271.0598
Annotation	Galangin
Peak:m/z	Relative Intensity
52.34495	0.2
68.99789	44.2
69.69726	0.6
69.70117	0.6
70.00103	0.4
71.01328	0.4
91.05487	0.3
91.43478	0.3
95.01324	2.0
103.05463	3.8
103.76875	0.3
105.03389	1.9
105.07032	6.0
109.28198	0.3
110.22482	0.3
111.00780	0.3
115.05439	0.2
123.00787	14.3
129.07025	0.4
139.00269	4.6
140.03384	0.4
141.01833	1.0
141.06958	0.9
148.57330	0.2
151.00313	0.5
153.01837	0.9
155.04916	0.3
165.01799	0.3
166.99767	6.4
167.02031	0.4
168.02905	0.6
169.01291	3.4
169.06415	0.5
185.00809	36.4
186.01193	0.7
197.05959	0.8
207.04532	0.3
215.07150	0.6
225.05478	2.2
229.04916	0.8
243.06200	0.9
253.04979	4.3
271.05994	100.0
272.06390	3.6
272.09137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
55.72805	0.4
62.62034	0.5
62.69567	0.5
63.29179	0.5
68.99788	74.9
69.16405	3.2
70.00136	0.6
71.01342	0.6
77.32243	0.4
81.07066	1.1
91.05476	8.6
95.01349	1.1
97.28944	0.4
98.09676	0.9
99.08115	0.5
103.05502	2.6
105.03374	1.2
105.07023	5.4
111.00800	1.0
111.03220	0.5
115.00295	6.5
115.05453	4.1
116.10757	0.6
123.00799	4.7
127.05470	0.5
128.06219	13.4
129.07002	31.7
130.07368	0.7
131.04939	1.1
133.06505	0.7
139.00233	4.6
140.03438	1.2
141.01837	0.8
141.06987	5.1
145.06500	2.5
152.06235	0.9
153.01831	0.6
153.07008	1.8
155.05074	2.3
155.05946	2.5
157.06482	82.9
158.06821	2.1
165.01810	0.8
166.99730	3.6
167.02112	1.4
167.03458	0.5
168.02917	3.8
169.01323	2.2
169.06471	9.0
179.04854	0.5
181.06488	1.0
183.04417	3.3
185.00810	30.5
186.01256	0.5
186.63091	0.5
187.03868	1.2
196.05168	0.5
197.05977	9.2
197.07735	0.5
198.14908	2.4
201.05548	0.6
211.07561	1.0
215.07018	1.0
225.05455	18.1
226.05669	0.7
226.14354	2.4
243.06392	1.7
253.04980	4.9
256.07111	0.6
271.05984	100.0
272.06290	2.6
272.09216	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	271.06
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99789	94.5
69.10091	2.9
70.00135	0.4
71.01353	14.6
77.03938	0.6
79.05482	1.0
91.05479	1.3
95.04946	0.8
103.04777	0.6
103.05464	9.4
105.07028	40.8
106.07352	0.5
111.00816	2.0
123.00768	2.2
123.33403	0.4
126.01088	1.6
127.01902	0.5
131.03961	0.9
131.04926	15.2
139.00262	10.2
141.02061	0.8
141.06932	1.1
144.02068	1.1
145.06444	1.1
146.07063	2.0
147.06635	0.8
153.01820	1.2
155.04860	1.5
157.01324	15.2
157.02623	0.8
157.06488	0.8
161.08220	1.2
162.08942	1.1
166.99751	11.6
167.02037	0.9
168.03004	1.3
169.01401	1.2
169.06546	1.2
173.05998	0.4
174.06633	1.5
183.04369	2.1
185.00810	100.0
186.01152	2.0
190.08446	1.2
191.09286	4.4
192.13222	0.4
197.05948	1.7
215.07065	1.8
225.05382	6.7
228.05342	1.3
229.04741	0.5
243.06509	3.0
253.04924	1.6
271.05997	23.0
272.05936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
68.99792	100.0
69.05790	1.6
69.06198	1.4
70.00126	0.5
71.01345	0.6
91.05474	0.8
92.99789	0.5
94.47610	0.4
103.05473	0.6
105.03409	0.6
105.07033	15.5
105.07745	1.0
111.00809	2.1
119.04904	0.6
123.00784	0.7
129.07025	0.5
131.04900	0.8
139.00269	12.0
140.03444	0.5
141.06941	0.7
153.01807	1.0
157.01320	1.2
165.01781	0.5
166.99760	15.6
167.02045	0.8
168.02934	1.2
169.01337	1.0
169.06473	0.9
185.00818	92.0
186.01186	1.3
215.06998	1.4
217.03333	0.5
225.05440	1.8
229.04916	0.6
240.13713	0.5
243.06516	2.6
253.04982	1.2
267.16403	0.4
271.05997	23.4
272.06329	1.1
272.09064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
65.03922	0.2
67.01859	1.6
68.85567	0.1
68.99777	1.2
69.89053	0.3
79.01821	0.1
79.88533	0.1
91.05471	1.7
97.02839	0.1
111.00793	0.2
115.05434	0.2
117.06978	0.4
117.21879	0.1
119.04930	5.6
120.05244	0.1
121.02858	1.7
125.02380	0.2
127.01562	0.5
129.01823	0.3
130.54848	0.1
131.04892	0.1
134.11505	0.1
141.06923	0.2
145.02824	1.4
145.06444	0.5
153.01811	11.9
154.02121	0.3
163.03891	1.1
169.06458	0.3
171.02887	0.8
173.05888	0.1
187.03935	0.4
197.05966	0.3
197.91515	0.1
202.06320	0.1
203.06969	0.2
211.03867	0.1
215.06943	0.1
225.05389	0.7
229.04984	0.5
231.34215	0.1
243.06517	0.8
247.06026	0.3
253.04831	0.3
271.05969	100.0
272.06317	3.6
272.08710	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	271.1692
Annotation	Tanzawaic acid A
Peak:m/z	Relative Intensity
53.03933	1.1
55.05507	6.1
57.03439	1.3
57.07063	2.1
58.06593	4.6
58.85599	0.8
65.03941	1.2
67.05510	6.4
69.03366	0.9
69.07070	6.6
69.39979	2.0
69.40359	1.7
71.08611	0.9
79.05480	6.2
81.07054	9.6
83.08633	1.7
83.45583	0.8
84.08134	1.7
91.05476	14.0
93.07043	9.3
95.04968	2.2
95.08606	11.3
97.02905	1.2
98.22698	0.8
100.07635	0.9
104.07090	2.2
105.04482	1.3
105.07029	17.9
107.08587	11.0
109.06517	1.7
109.10143	2.6
111.04436	0.9
115.05463	2.4
117.04845	1.3
117.06998	6.3
119.04916	3.4
119.08573	17.6
121.06497	3.2
121.10171	6.0
123.08066	1.1
123.11681	2.5
128.06212	4.5
129.06976	6.5
130.07738	1.5
131.04904	0.8
131.08562	12.3
133.06535	1.3
133.10121	17.3
135.11749	1.4
137.05936	2.0
141.06985	5.5
142.07764	7.1
143.08546	15.7
144.09317	1.0
145.06480	2.5
145.10127	15.3
147.08054	1.5
147.11694	3.8
149.05981	2.0
149.09615	0.9
151.07539	1.4
153.01791	2.5
153.06978	2.5
154.07726	3.6
155.08551	16.6
156.09366	8.8
157.10121	19.9
158.10847	2.7
159.08044	3.6
159.11671	14.5
161.09634	2.4
161.13342	1.1
163.07542	2.3
165.06830	0.8
165.09052	0.9
167.08537	4.3
168.09331	4.1
169.06406	1.2
169.10118	22.6
170.10838	3.4
171.08041	1.4
171.10347	1.5
171.11690	19.2
172.12463	4.1
173.09607	2.7
173.13243	19.0
174.14066	4.9
175.11151	1.1
177.09068	1.6
178.07689	1.3
179.08531	4.1
180.09363	1.3
181.10121	7.5
182.10957	4.2
183.08125	5.4
183.11668	21.6
184.12189	0.9
185.09612	2.0
185.13217	5.6
187.07587	2.8
187.11212	1.8
187.14828	1.8
189.09128	3.4
192.09282	1.7
193.10124	2.3
194.10890	1.3
195.08110	1.1
195.11661	4.6
196.08882	1.5
196.12437	4.9
197.09589	7.1
197.13237	12.3
198.10237	1.2
199.14838	1.6
201.09108	9.0
203.10739	1.2
207.11716	3.3
209.09631	1.6
209.13257	3.7
210.10329	1.2
210.13942	4.1
211.11176	5.3
211.14806	15.2
212.15286	1.2
213.12743	1.3
215.10655	8.9
218.23564	0.9
220.12364	0.9
223.11131	1.3
224.12004	1.5
225.12837	7.7
225.16345	18.6
227.14334	1.2
227.17885	5.4
229.12131	4.5
235.10999	1.3
235.14763	2.1
238.13495	1.7
243.13786	11.0
243.17552	1.5
253.12157	3.2
253.15871	22.7
254.24751	1.8
270.25409	0.8
270.27771	4.7
271.05991	23.0
271.13440	7.8
271.16898	100.0
271.24393	2.5
271.28146	4.5
272.06485	1.1
272.17212	3.1
272.25812	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	271.1691
Annotation	Oropheic acid
Peak:m/z	Relative Intensity
55.05511	6.5
57.07071	0.9
59.78902	0.8
65.45307	0.8
67.01870	1.0
67.05491	3.7
68.99779	4.7
69.07082	5.1
71.04983	1.6
78.14127	0.7
78.21524	0.8
79.05477	3.9
81.07054	7.2
83.08613	1.6
83.35159	0.8
91.05484	9.6
93.07047	6.4
95.08598	7.6
99.48759	0.9
105.07027	14.7
106.63692	0.9
107.08585	6.2
109.10126	2.7
113.80073	0.8
115.05435	2.0
117.07010	6.8
119.04931	3.7
119.08583	14.8
120.73075	0.9
121.10126	3.2
126.76176	0.8
128.06210	5.1
129.06995	11.9
131.08559	15.6
133.10123	7.4
135.08112	0.9
135.11766	1.4
139.07487	1.2
141.06984	5.9
142.07787	8.6
143.08563	20.0
144.09331	1.4
145.06555	1.1
145.10123	11.3
147.08006	1.8
147.11691	2.2
149.05936	1.5
151.07484	1.2
151.42305	0.9
153.01767	5.1
153.06979	1.9
154.07753	2.6
155.08533	17.1
156.09329	7.4
157.06482	5.7
157.10106	21.5
159.08028	3.0
159.11673	8.0
161.05933	1.3
163.07526	1.9
165.07007	1.5
165.09102	1.1
167.08572	3.1
168.09326	2.4
169.10115	28.8
170.10889	8.3
171.11688	25.1
172.12369	1.9
173.06015	1.4
173.09572	1.5
173.13248	2.2
175.07509	6.7
177.09094	4.2
179.08514	1.2
181.10086	7.0
182.10849	4.1
183.08066	2.5
183.11674	28.1
184.12367	1.4
185.00758	3.9
185.09589	1.7
185.13237	13.5
186.13887	0.9
187.07527	5.5
187.11107	1.0
189.09085	3.2
195.11710	3.9
196.12483	13.3
197.09590	4.1
197.13243	11.9
199.11174	1.0
199.14801	2.7
201.09097	6.8
203.10669	3.0
209.13300	4.7
210.14038	5.5
211.11214	3.3
211.14796	42.0
212.15451	2.1
215.10634	13.2
225.16357	49.8
226.16867	1.7
227.17937	7.3
229.12239	4.4
235.14792	2.9
241.12190	2.5
243.06595	0.9
243.13809	6.2
243.17422	3.6
253.15851	15.0
254.16144	1.2
271.05991	57.3
271.16904	100.0
271.20071	3.3
272.06366	2.7
272.17218	3.4
292.59018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03934	0.8
55.05254	0.8
55.05503	8.9
57.07075	3.3
57.17873	0.4
65.03931	0.8
66.82874	0.4
67.05500	20.1
69.07061	15.4
71.04974	0.6
71.08627	0.8
77.03934	0.5
79.05487	11.0
81.07051	39.3
82.07399	0.7
83.08618	6.5
91.05475	10.0
93.07037	21.8
94.07363	0.6
95.04981	2.3
95.08601	39.6
97.10158	3.2
98.23516	1.1
105.04539	0.5
105.07022	27.0
106.07355	0.7
107.08586	30.3
108.08869	0.5
109.06512	0.9
109.10150	37.3
110.10487	0.7
111.11693	1.3
117.07003	3.6
119.08573	24.1
121.10133	22.4
123.11699	12.3
125.13242	0.6
129.07010	0.6
131.08560	10.5
133.10124	20.2
135.11681	13.7
137.13261	3.1
142.07721	0.5
143.08553	2.1
144.09294	0.6
145.10110	13.8
146.10934	0.5
147.11674	21.7
149.12105	0.9
149.13251	13.5
150.13576	0.6
153.01775	1.0
155.08554	0.4
157.10144	2.4
158.10887	0.9
159.11685	12.0
161.13243	24.1
163.14806	12.8
169.10156	0.6
171.11642	1.9
172.12436	0.6
173.13252	9.1
175.14809	16.9
176.15247	0.6
177.16397	3.4
185.13133	1.0
187.14806	10.7
189.16357	10.2
197.13193	1.0
199.14799	0.8
201.16362	14.9
203.17928	1.2
211.14886	1.1
212.23549	0.5
213.16373	1.5
214.16956	0.5
215.17937	14.5
227.17928	0.8
228.18643	0.6
229.19547	3.6
230.24707	1.2
243.21085	2.1
253.19583	1.9
257.72806	0.5
259.05750	0.5
271.05981	8.8
271.20740	6.6
271.24164	100.0
272.06281	0.7
272.24377	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05502	6.6
57.07085	2.9
58.06588	0.9
65.03915	0.6
67.01853	0.6
67.05500	13.2
69.06707	1.1
69.07059	12.7
71.08613	0.9
71.43811	0.7
74.15862	0.5
79.05488	5.5
81.07050	28.0
83.08597	5.8
86.13174	0.6
91.05475	5.9
93.07038	12.9
95.04955	2.2
95.08595	33.0
97.06538	0.7
97.10143	1.4
105.07019	22.0
107.08581	22.3
109.06502	0.7
109.10143	32.1
110.10554	0.7
111.11697	0.8
115.49305	0.5
117.07002	2.2
119.04981	0.7
119.08567	25.6
120.08879	1.1
121.10129	16.2
123.08049	0.7
123.11692	19.8
125.13233	0.7
129.06992	1.0
130.07719	0.6
131.08549	7.7
133.10112	17.8
135.11676	8.8
137.13225	1.6
143.08551	1.3
144.09329	1.1
145.08968	1.0
145.10106	16.7
145.11227	1.1
146.10672	0.6
147.11671	19.6
147.12868	1.0
149.13243	13.4
153.01819	1.3
157.10136	1.6
158.10915	0.8
159.11674	18.9
161.13243	18.5
163.14799	10.1
164.95955	0.5
169.10085	0.8
171.11629	1.9
173.13239	10.8
174.98438	0.5
175.14806	20.0
177.16354	2.3
185.13272	1.1
187.14804	10.3
188.15349	0.6
189.16370	7.3
199.14854	1.0
201.16370	12.6
201.18115	1.0
203.17987	0.9
211.14673	0.7
213.16389	1.9
214.16753	0.6
215.17938	13.2
228.18605	0.8
229.19505	3.8
243.21075	1.4
253.19565	1.7
271.05972	13.7
271.20825	3.9
271.24164	100.0
272.06351	1.5
272.24426	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	271.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
54.47803	0.7
55.05507	6.9
57.07073	4.4
65.03915	1.3
67.05166	1.3
67.05499	18.5
68.99784	0.7
69.07063	14.6
71.08629	1.5
71.52863	0.6
75.07166	0.6
79.05493	10.7
81.07051	33.9
83.04957	0.8
83.08617	6.4
83.44497	0.7
91.05470	13.6
93.07040	24.3
95.04958	4.6
95.08601	40.2
97.10156	3.0
105.07025	28.1
106.07340	0.8
107.08585	28.5
109.06477	0.9
109.10147	30.8
110.26403	0.7
115.05340	0.8
117.07016	3.8
117.07693	0.7
119.04953	1.3
119.07748	1.5
119.08576	24.9
121.10136	20.3
123.08045	1.1
123.11695	12.4
126.90101	0.7
129.07025	1.1
131.08560	12.6
132.08888	0.8
133.10121	22.9
134.10454	0.7
135.08029	0.7
135.11688	12.2
137.13243	2.9
143.08522	3.5
145.10112	17.1
146.10736	0.7
147.10571	1.3
147.11678	21.0
149.13245	15.6
151.14774	0.6
153.01813	2.8
155.08528	2.0
157.10117	3.5
158.10924	1.1
159.11688	15.5
161.09628	1.0
161.13252	18.9
163.14818	11.7
169.10030	2.2
171.11627	2.3
173.13249	11.8
175.14818	17.3
177.16353	3.3
183.11642	1.2
185.13264	2.1
187.14819	13.5
188.15428	1.0
189.16377	10.6
197.13213	2.5
198.13997	0.7
199.14810	2.1
201.16385	14.6
209.13324	0.7
211.14812	1.9
213.16371	2.1
215.14551	1.1
215.17953	12.3
227.17932	1.4
229.19469	3.5
243.21106	2.3
247.26772	0.7
253.19559	4.0
271.05991	27.4
271.17239	1.8
271.20624	14.4
271.24167	100.0
272.06128	1.3
272.20856	0.8
272.24576	3.5
272.29443	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03936	1.2
55.05506	10.0
57.07070	3.8
65.03945	0.8
66.97096	0.6
67.05505	21.4
69.03438	0.6
69.06706	1.1
69.07063	14.3
69.41576	2.6
71.08620	1.6
79.05486	11.8
81.07054	36.5
83.08619	6.8
85.06494	0.6
91.04936	0.9
91.05476	11.2
93.06446	1.2
93.07040	24.1
94.07338	0.6
95.04986	3.3
95.08601	40.9
97.06464	0.6
97.10155	3.3
103.05470	0.8
105.07027	27.9
105.07742	1.4
107.08589	28.9
109.06521	1.5
109.10151	33.1
110.10484	0.6
111.11716	1.2
117.07018	4.4
119.08575	28.3
120.08959	0.9
121.06492	0.9
121.10138	20.8
123.08026	0.7
123.11704	12.4
128.05840	0.6
129.06949	1.0
130.07706	0.6
131.08554	10.3
133.10126	22.0
133.87825	0.6
135.11690	14.2
137.13248	2.7
142.07716	0.8
143.08560	2.4
144.09285	0.9
145.10120	16.9
147.11670	20.9
149.13245	15.0
149.14435	0.8
153.01776	0.9
155.08571	1.5
156.09407	0.7
157.10149	3.6
158.10791	0.8
159.11682	15.1
161.13252	23.3
162.13487	1.2
163.14832	11.4
165.07076	0.6
169.10075	1.5
171.11642	2.1
172.12300	1.0
173.13269	11.7
174.13985	1.0
175.14813	18.2
176.15181	0.8
177.16409	4.3
181.05913	0.8
183.11729	1.3
185.13286	3.4
187.14825	11.4
189.16386	10.0
197.13232	2.6
199.14844	1.6
201.12750	0.6
201.16371	14.5
202.16965	0.9
203.14372	0.6
203.17915	1.2
211.14796	2.4
213.16351	1.9
215.14520	0.7
215.17938	14.3
225.16385	0.7
227.17850	1.4
229.19504	4.7
243.21126	3.6
253.19536	3.9
264.62393	0.7
271.05997	5.1
271.20663	12.7
271.24173	100.0
272.24548	3.9
272.29590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.1
57.07055	2.7
61.73014	0.8
62.37590	0.7
65.03932	1.0
65.15144	0.8
67.05496	21.0
69.07060	15.0
69.07438	0.9
69.29566	3.7
71.08591	1.1
79.05479	11.2
81.07047	39.7
83.04994	1.0
83.08623	5.6
85.06562	1.0
87.26322	0.9
91.05473	14.4
93.07034	20.9
95.04950	3.9
95.08595	38.8
96.08925	0.8
97.10148	3.4
105.07014	27.8
107.08582	26.4
109.06491	1.3
109.10143	34.4
109.10889	1.8
111.11665	1.0
117.06998	5.3
119.08569	25.4
121.10132	20.0
123.08025	0.8
123.11688	11.9
129.06911	1.1
131.08556	10.9
133.10121	22.1
134.10469	0.8
135.11685	12.5
137.13242	3.1
143.08545	3.1
145.10114	14.7
147.11662	18.8
149.13245	14.5
151.14735	0.9
153.01814	1.2
155.08536	3.0
156.09253	1.0
157.10109	4.4
159.07980	1.3
159.11678	13.9
161.13251	21.2
163.14822	11.1
168.09398	0.7
169.10085	3.0
171.11647	2.7
173.13243	10.3
175.11200	0.9
175.14807	17.3
177.16353	3.8
182.10872	1.0
183.11717	1.6
185.13222	2.3
187.14796	10.9
189.16328	8.5
196.12410	0.8
197.13287	2.3
201.16388	13.0
208.30344	0.8
211.14813	4.0
213.16388	1.5
215.14523	1.0
215.17937	14.0
225.07288	1.5
227.17877	1.5
229.19463	3.3
243.21086	2.7
253.15823	2.5
253.19568	4.5
254.11240	1.1
266.82895	0.8
271.05960	6.1
271.16800	4.4
271.20663	9.9
271.24152	100.0
272.21756	1.0
272.24353	4.3
272.29468	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	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03939	1.0
55.05506	10.3
56.75420	0.7
57.07068	3.4
58.06584	1.5
67.05500	19.4
67.47315	0.7
67.91521	0.7
67.94451	0.7
69.06708	1.0
69.07064	12.8
70.06570	0.8
71.08632	1.2
71.42970	1.1
73.02866	0.8
79.05487	11.5
81.07049	36.6
83.04988	0.8
83.08599	6.6
91.04944	0.9
91.05479	13.1
93.06443	1.2
93.07033	25.3
95.04971	3.8
95.08598	37.5
96.86223	0.7
97.06528	1.0
97.10147	3.6
102.73283	0.7
104.56718	0.8
105.07015	27.0
107.08585	29.8
109.06540	1.7
109.10146	31.9
111.11674	1.1
117.06993	5.0
119.08566	27.2
119.09421	1.5
121.10138	21.2
123.08041	1.2
123.11697	13.6
129.07037	1.6
131.08556	13.4
133.10121	18.1
135.08037	1.4
135.11681	14.3
137.13240	2.8
141.06966	1.6
142.07747	1.3
143.08553	4.7
144.09299	1.0
145.10107	20.7
147.11671	21.6
149.13242	14.3
151.14748	0.9
153.01776	2.2
154.07838	1.1
155.03436	0.8
155.08563	2.2
157.10112	4.9
159.08058	2.7
159.11685	15.3
161.09682	1.4
161.13243	21.9
163.14803	12.0
168.09312	1.0
169.10127	4.7
171.11665	3.4
173.13248	11.1
175.11230	1.0
175.14819	18.3
177.16322	3.9
183.11636	3.0
185.13263	4.5
187.14790	12.4
189.16342	8.9
197.13226	4.9
199.14781	2.2
201.16359	12.9
203.17911	1.1
211.14842	1.9
213.16341	3.8
215.14438	0.8
215.17941	14.8
225.16428	1.2
227.17949	2.7
229.19473	3.2
243.21068	2.7
253.19505	6.7
254.24826	2.6
255.27464	1.0
271.06021	15.3
271.16971	4.5
271.20609	21.2
271.24173	100.0
271.27988	3.6
272.24655	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.74954	0.6
55.05513	6.2
56.41627	0.6
57.07075	3.3
60.83047	0.6
65.03922	1.5
67.05156	1.3
67.05499	17.6
69.06707	0.9
69.07066	13.3
69.33662	2.6
71.08629	1.0
79.05489	10.3
81.07051	31.7
83.08611	4.9
91.05474	8.8
93.07043	19.7
95.04946	2.2
95.08601	36.5
97.10156	3.0
97.87499	0.7
105.07027	22.2
107.08590	24.4
109.10148	32.5
111.11736	0.7
114.77946	0.7
117.07011	2.7
119.08571	21.7
121.06519	0.7
121.10136	19.6
123.11700	10.7
131.08553	8.2
133.10118	17.7
135.11687	11.6
137.13235	2.5
143.08559	2.0
144.09273	1.0
145.10121	11.9
146.10852	0.8
147.10562	1.3
147.11684	17.7
147.12839	0.9
149.13254	13.9
157.10150	1.6
159.11671	12.6
161.13248	21.4
162.13617	0.8
163.14813	13.6
169.09988	1.0
171.11647	1.6
173.13249	10.8
175.14810	14.7
177.16449	3.3
185.13254	1.6
186.14024	0.7
187.14792	9.7
189.16373	9.0
192.46281	0.7
197.13264	0.9
201.16371	11.8
203.17921	1.7
213.16406	1.2
215.17924	14.7
227.17830	1.1
229.19569	3.3
243.21056	1.5
253.19492	1.3
271.06039	5.2
271.20807	4.9
271.24173	100.0
272.24460	4.2
283.97571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01907	0.3
66.91940	0.3
68.99791	7.3
69.77778	1.0
69.78113	0.3
70.00111	1.4
71.52125	0.3
81.61996	0.4
82.93540	0.3
84.04516	0.5
94.02926	0.9
94.61828	0.3
95.01331	3.6
103.05467	1.0
105.07013	0.9
106.07327	0.6
112.03982	3.3
122.02359	0.4
123.00769	0.4
127.29971	0.4
131.04962	1.7
139.00252	0.6
140.03426	27.6
141.03749	0.4
166.99799	1.0
168.02921	100.0
169.01402	0.3
169.03239	1.1
179.26939	0.3
185.00807	3.9
185.03264	0.4
186.01184	3.7
186.02838	0.4
230.08110	0.9
264.22702	0.3
272.06656	2.1
272.09152	52.6
273.09766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0916
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
52.01896	0.3
54.03451	0.2
68.99767	1.0
69.24557	0.9
69.24963	0.4
70.02935	0.4
72.37251	0.2
84.04498	0.7
91.05527	0.2
94.02934	1.0
95.01332	5.1
98.02421	0.2
98.22684	0.4
102.72952	0.2
103.05462	1.3
112.03967	4.5
116.21821	0.2
122.02396	0.9
123.00797	0.5
131.04895	1.5
140.03423	33.5
141.03726	0.7
150.01889	0.4
167.02106	0.4
168.02916	100.0
169.03268	1.6
181.06494	0.2
185.00821	0.3
186.01111	0.4
205.20367	0.2
230.08136	0.8
272.09161	45.8
273.09558	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	272.0917
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
54.15530	0.2
56.24912	0.2
68.99788	5.0
70.00121	1.0
70.02956	0.2
70.67005	0.4
84.04498	0.5
91.05490	0.4
94.02916	0.7
95.01327	3.2
102.19944	0.2
103.05444	1.2
105.07021	0.3
106.07381	0.7
111.12953	0.2
112.03956	2.9
118.47181	0.2
122.02420	0.6
123.00771	0.6
131.04919	1.6
133.74232	0.2
134.63943	0.2
139.00269	0.6
140.03416	25.6
141.03795	0.3
159.47144	0.3
166.99690	0.3
168.02911	100.0
169.01904	0.2
169.03265	1.4
185.00774	3.0
186.01129	2.6
215.00859	0.2
230.08112	1.3
254.05229	0.3
255.54123	0.2
272.06415	3.7
272.09131	47.8
272.29517	0.4
273.09470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0918
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
50.93683	0.2
52.01905	0.2
55.90585	0.2
56.05057	0.3
60.98463	0.2
62.49348	0.2
65.05422	0.2
66.03461	0.2
67.05501	0.3
68.99788	3.1
69.11992	0.4
69.12412	0.9
70.00121	0.7
70.02944	0.5
84.04505	0.7
91.05489	0.5
93.07009	0.3
94.02938	1.1
95.01325	4.2
98.02435	0.6
103.05478	1.3
105.03456	0.2
105.07005	0.5
106.07375	0.4
112.03969	4.1
119.08580	0.3
120.04556	0.2
122.02392	0.9
123.00800	0.6
131.04922	1.5
140.03419	35.9
141.03752	0.5
145.10129	0.2
150.01880	0.4
153.01855	0.2
163.03955	0.2
165.79314	0.2
167.02124	0.2
168.02913	100.0
169.01212	0.2
169.03261	1.0
181.03510	0.2
185.00784	1.4
186.01147	1.5
186.03604	0.4
203.47484	0.2
230.08125	0.8
254.05428	0.2
271.20615	0.2
272.06418	2.9
272.09131	36.0
273.09473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2008
Annotation	Methorphan
Peak:m/z	Relative Intensity
51.15942	0.8
55.05516	0.9
57.07066	1.7
58.06594	1.1
67.30488	0.7
67.50312	0.6
69.07067	0.8
69.13403	4.8
71.08585	0.8
81.07043	2.2
95.08594	1.4
98.23532	1.5
99.08096	0.7
100.65777	0.8
105.07002	1.2
107.08604	1.0
108.08911	0.8
109.10129	1.1
111.12958	0.7
118.06526	1.3
119.08515	1.1
132.08073	3.2
135.11626	0.8
144.08101	1.6
145.08917	0.9
155.08542	0.8
157.08824	1.7
157.10164	0.7
158.09630	10.2
159.10431	1.7
165.29355	0.8
171.10399	1.7
172.11195	5.9
173.11998	1.9
174.12775	30.7
175.13007	1.3
184.11198	5.7
185.11960	2.3
186.12714	0.8
197.09871	0.9
197.13228	2.6
198.12752	9.2
199.13548	30.7
200.14302	13.1
214.15887	47.3
215.16647	16.0
216.13940	1.2
242.15459	2.3
254.24709	0.8
272.06342	6.2
272.20068	100.0
272.24765	3.9
272.29477	7.1
273.20508	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	272.2582
Annotation	2-aminohexadecanoic acid
Peak:m/z	Relative Intensity
57.07071	15.4
58.06597	48.0
66.86021	0.3
69.41467	1.7
71.08627	8.1
74.06052	0.6
79.40671	0.3
85.10177	2.5
102.05540	1.1
104.07098	30.4
134.71959	0.4
202.87024	0.4
255.53352	0.4
272.25818	100.0
273.26169	2.4
274.40414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.7
55.01863	0.5
55.05499	0.6
56.96550	0.7
57.35494	0.3
58.06596	0.4
58.99585	0.8
59.01347	0.4
69.07070	0.6
70.06586	3.8
71.01344	0.7
72.08149	0.9
75.02711	0.5
79.05480	0.4
81.07020	0.4
83.04985	1.7
83.51282	0.4
84.04497	0.9
84.08138	1.1
85.02897	13.4
85.03416	0.8
86.09707	2.2
86.99043	1.0
88.04016	0.4
91.05461	0.4
93.72811	0.4
94.34322	0.3
98.03500	0.4
98.06051	0.6
98.23516	0.7
98.97581	3.2
111.04435	1.1
111.08091	0.4
113.02356	100.0
114.02699	1.2
116.07080	0.7
116.98612	2.7
119.01643	1.6
125.07147	0.5
128.97702	9.0
129.10216	0.6
134.99657	2.0
137.02280	0.5
144.06554	1.8
145.04958	1.8
153.05424	1.7
161.07941	0.4
161.09071	1.8
161.80399	0.4
162.05811	0.4
166.02103	0.4
167.01904	0.9
174.08722	0.4
179.03720	0.4
190.05342	1.5
211.04478	2.8
240.99229	0.9
253.88574	0.4
272.93594	0.4
273.12091	0.6
273.15564	1.0
273.18301	0.7
274.18652	0.5
290.94794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.00296	0.5
55.01886	0.3
57.03438	0.5
65.03939	0.3
67.01886	0.2
68.99776	1.9
69.82169	0.5
71.01343	1.5
77.03926	0.3
79.01831	0.2
79.05482	2.1
83.01294	0.2
85.02898	2.2
90.99709	0.2
91.05476	3.4
91.06738	0.2
95.01318	2.5
95.04960	0.6
99.00784	0.2
103.05458	13.8
104.05745	0.2
105.03387	0.7
105.04478	0.2
105.07023	0.7
107.04924	1.6
113.02367	2.4
117.07004	0.4
117.92499	0.2
121.02853	0.2
123.00779	5.8
127.00278	0.2
129.06956	0.3
131.04915	25.6
132.05237	0.2
141.01814	2.1
145.06477	0.6
149.02330	0.7
151.00262	1.6
153.01849	0.3
153.06973	0.3
157.06429	0.3
157.10155	0.2
167.03378	1.2
168.00462	0.2
169.01306	100.0
170.01628	1.3
173.05988	2.6
181.06454	0.5
185.05881	0.3
187.02377	9.2
192.86098	0.2
195.02902	0.5
199.07509	0.6
209.05981	0.3
227.07050	0.5
231.06572	0.7
255.06563	0.9
273.07541	75.0
274.07849	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	273.0755
Annotation	2',3',4',6'-Tetrahydroxychalcone
Peak:m/z	Relative Intensity
54.30192	0.4
55.01855	0.7
57.03415	0.7
57.13479	0.4
65.87043	0.4
68.99786	2.9
69.07766	2.8
69.08157	1.1
71.00208	0.5
71.01334	1.5
79.05485	1.7
85.02905	2.7
88.79211	0.5
91.05485	3.5
95.01286	2.9
95.04964	0.9
103.05457	14.1
105.03377	0.7
105.07051	0.5
107.04913	1.2
113.02370	2.5
121.02850	0.7
123.00783	6.1
131.04915	26.3
140.03394	0.6
141.01851	2.4
151.00246	1.3
153.01801	1.2
159.08012	0.6
167.03358	1.5
168.02878	1.0
169.01306	100.0
170.01689	2.1
173.05936	2.9
181.06490	0.6
185.06000	0.6
187.02408	7.2
195.02774	0.5
231.06378	0.7
255.06488	1.3
273.07538	65.8
274.07764	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	273.0754
Annotation	2',3',4',6'-Tetrahydroxychalcone
Peak:m/z	Relative Intensity
53.00308	0.4
65.03917	0.4
67.01854	0.4
68.99773	1.9
69.82372	1.0
71.01362	1.0
77.03929	0.4
79.05492	1.8
79.46793	0.3
81.66598	0.3
85.02893	1.9
91.05466	4.0
91.07731	0.3
95.01317	2.9
95.04979	0.5
98.22789	0.4
103.05456	13.7
103.20486	0.4
105.03384	0.7
105.06976	0.4
107.04935	1.3
108.06946	0.3
113.02377	2.2
123.00771	4.1
129.06949	0.5
131.04915	27.6
132.05261	0.7
140.03407	1.6
141.01823	1.7
141.03751	1.1
145.06444	0.5
149.02325	0.6
151.00241	1.2
157.06503	0.6
159.08057	0.3
167.03389	1.5
168.02898	5.5
169.01306	100.0
169.03087	3.6
170.01646	1.5
173.05965	3.4
181.06511	0.6
185.05971	0.4
187.02386	4.7
189.74164	0.3
192.74310	0.3
195.02873	0.7
209.05959	0.4
231.06447	0.5
235.41766	0.3
236.49332	0.3
255.06473	0.8
273.07501	78.0
274.07816	2.1
281.89877	0.3
287.62213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.00298	0.3
53.03942	0.2
55.01857	0.3
57.03416	0.9
60.49780	0.2
65.03920	0.2
67.01851	0.3
68.99782	2.2
69.38184	0.8
70.00135	0.4
71.00191	0.3
71.01361	1.0
77.03915	0.4
79.05490	2.2
81.07068	0.3
85.02898	2.1
91.05478	4.0
95.01327	3.1
95.04952	0.8
96.03671	0.2
97.02893	0.2
103.05466	16.5
104.05785	0.6
105.03372	0.9
105.04465	0.2
105.07013	0.7
107.04952	1.8
113.02362	2.5
116.17529	0.2
117.07021	0.4
121.02890	0.4
123.00793	5.9
124.01145	0.6
125.01344	0.5
129.06999	0.3
131.04926	27.2
132.05281	0.6
139.00211	0.2
139.03903	0.3
140.03456	0.2
141.01830	1.7
141.06961	0.2
142.07217	0.2
145.06444	0.6
149.02353	0.9
151.00244	1.2
153.06961	0.4
157.06453	0.6
159.02875	0.3
159.08017	0.4
159.66568	0.2
167.03378	1.5
168.02933	0.8
169.01318	100.0
170.01660	1.9
173.05984	3.7
181.06497	0.8
185.05956	0.5
186.01276	0.3
187.02460	3.1
189.05475	1.1
195.02887	0.6
199.07567	0.6
203.07025	0.3
209.05988	0.6
227.06947	0.7
231.06468	0.7
241.05269	0.2
255.06299	0.9
273.07559	74.0
274.03503	0.2
274.07938	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	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.18857	0.2
50.61979	0.2
53.00314	0.3
55.01857	0.4
57.03428	0.8
58.47379	0.2
65.03928	0.3
67.01848	0.5
68.99789	3.3
70.00118	0.7
70.06574	0.8
70.29002	0.3
70.29319	0.3
71.00217	0.5
71.01347	1.7
76.55260	0.2
77.03933	0.2
79.05491	2.0
85.02899	2.2
91.05476	3.5
95.01320	3.3
95.04945	0.7
102.04658	0.3
103.05457	14.4
105.03386	0.6
105.07021	0.9
107.04948	1.3
111.04404	0.2
113.02357	2.9
115.05443	0.2
121.02837	0.3
122.99892	0.4
123.00781	5.5
125.02363	0.3
129.06982	0.4
131.04915	25.7
132.05257	0.6
139.00230	0.4
140.03380	0.3
141.01825	2.3
141.03664	0.3
145.06477	0.5
149.02319	0.9
151.00249	1.5
152.06117	0.2
153.06976	0.6
157.06549	0.5
159.08057	0.3
167.03380	1.1
168.02916	1.2
169.01308	100.0
170.01654	1.8
173.05984	2.9
181.06519	0.6
185.05949	0.8
186.01125	0.7
187.02428	9.2
188.02650	0.3
195.02878	0.6
199.07547	0.4
203.06958	0.2
209.06004	0.4
212.23883	0.2
213.05382	0.2
227.07024	0.5
231.06526	0.9
255.06459	0.9
273.07535	75.0
274.07880	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	273.0755
Annotation	2',3',4',6'-Tetrahydroxychalcone
Peak:m/z	Relative Intensity
53.00304	0.4
53.03942	0.3
55.01875	0.7
57.03445	0.7
61.89629	0.3
65.03932	0.3
67.01851	0.6
68.99790	1.5
71.01352	1.8
77.03934	0.4
79.05483	2.4
83.01305	0.3
85.02912	2.2
91.05476	4.4
95.01321	4.3
95.04957	0.7
98.23505	0.8
99.00830	0.4
103.05465	17.3
105.03407	0.4
105.07013	0.6
105.81467	0.3
107.04953	1.4
113.02360	2.7
121.02881	0.4
123.00793	7.1
129.07062	0.4
131.04926	22.7
132.05206	0.4
139.03859	0.4
141.01816	2.0
145.06473	0.6
149.02388	0.4
151.00269	1.7
153.07011	0.4
156.82362	0.3
159.02882	0.4
167.03435	1.1
169.01320	100.0
170.01666	2.1
173.06001	2.6
181.06503	0.7
185.06023	0.6
187.02374	7.5
195.02855	0.8
199.07510	0.3
214.39258	0.3
219.41754	0.3
219.67293	0.3
231.06566	0.9
244.17361	0.3
248.93839	0.3
255.06499	0.5
273.07559	61.1
274.07901	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	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01867	0.7
55.05486	1.1
57.03434	0.4
62.45607	0.4
65.03907	0.6
66.15730	0.3
67.01860	3.0
67.05483	0.6
68.99783	2.6
69.03429	1.8
69.07051	0.5
71.43159	0.5
79.05473	0.6
81.03393	1.0
81.07045	0.7
83.01279	0.4
83.04977	1.9
85.02879	0.7
91.04945	0.5
91.05477	8.5
93.07011	0.9
95.04945	2.6
95.08608	1.0
97.02872	1.4
103.05443	0.4
105.07035	0.9
107.04961	2.3
107.08595	1.3
109.02886	1.1
109.10133	0.7
111.00768	0.7
111.04415	1.3
117.06984	0.6
119.04939	17.6
119.08567	1.1
121.02847	0.4
121.06493	1.2
123.04415	2.9
125.02417	0.3
127.03928	0.4
131.08562	1.0
133.06494	0.4
133.10104	0.6
143.08549	0.5
145.10107	1.3
147.04401	40.6
147.11688	0.4
148.04720	0.6
153.01813	100.0
154.02203	1.6
157.06487	0.5
159.11716	0.6
161.13277	0.5
163.11263	0.4
163.69591	0.4
164.84152	0.3
171.02887	4.7
171.04298	0.5
173.09676	0.4
179.03366	1.0
181.06441	0.5
187.11095	0.5
189.05435	1.3
211.11081	0.4
213.09189	0.4
214.03239	0.3
217.05048	0.4
231.06584	0.7
255.06517	0.4
255.21155	0.4
273.07553	77.2
273.14337	2.6
273.22003	1.9
274.07941	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	273.0756
Annotation	2',3',4',6'-Tetrahydroxychalcone
Peak:m/z	Relative Intensity
51.95776	0.1
53.00303	0.5
55.01856	0.3
57.03435	0.7
67.01869	0.2
68.99786	2.2
69.35469	0.8
71.01347	1.7
77.03927	0.5
79.05491	2.2
85.02902	2.1
91.05471	3.6
95.01321	2.9
95.04945	0.5
99.00817	0.2
100.28875	0.1
103.05461	14.9
105.03393	0.4
105.04553	0.2
105.07021	0.5
107.04943	1.6
113.02358	2.0
115.05421	0.2
117.06985	0.2
121.02895	0.2
122.99884	0.3
123.00780	6.4
129.07025	0.4
131.04918	25.6
132.05234	0.3
139.03915	0.3
141.00778	0.3
141.01825	2.3
145.06473	0.5
149.02309	0.9
151.00230	1.7
151.91119	0.2
152.06105	0.2
153.01758	0.3
153.06970	0.3
157.06480	0.3
159.02863	0.3
159.08060	0.3
162.70886	0.1
167.03391	1.0
169.01311	100.0
170.01675	1.5
173.05969	2.7
181.06482	0.5
185.05965	0.4
187.02379	7.7
188.02765	0.2
195.02888	0.7
199.07533	0.4
203.07024	0.2
209.05988	0.4
227.06999	0.5
231.06622	0.7
237.05507	0.2
255.06522	0.7
273.07550	62.1
274.07843	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	273.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58325	0.8
56.62230	0.8
56.96559	19.0
60.05637	1.5
70.06587	13.2
70.08489	3.2
72.96062	1.2
74.97614	2.0
80.39139	0.8
83.97645	2.7
86.09699	2.7
98.97571	17.3
103.05424	1.3
111.05560	1.3
112.00748	1.4
114.02290	1.7
116.07105	1.2
116.98635	9.4
119.01905	2.6
124.00739	1.1
126.02222	1.8
130.09750	1.0
131.04907	4.1
134.99666	2.5
136.00763	1.3
139.01779	1.9
140.03462	0.9
141.03331	8.0
142.01787	2.0
143.04933	10.4
144.03337	1.6
144.10210	6.6
145.06477	2.4
148.01842	1.1
150.03394	2.8
151.01926	0.9
153.03363	1.7
154.01775	1.8
158.05659	2.0
159.04410	3.3
160.02699	1.4
161.05960	2.9
163.07539	1.2
166.02887	15.5
168.02901	2.8
168.04451	7.5
169.01329	12.4
169.02937	7.5
170.04544	1.8
170.06001	34.1
171.04398	28.6
172.02795	2.0
177.01013	1.2
184.03935	6.3
186.05507	2.8
186.09746	1.9
187.03864	2.9
187.08659	7.9
188.07056	20.6
189.05458	22.7
190.03825	4.0
195.05542	1.3
196.04037	1.4
205.09834	2.7
206.08154	1.4
207.06554	10.0
208.04965	1.5
213.06821	27.2
214.05058	12.1
214.09261	2.4
215.03433	1.5
219.02052	1.5
231.07701	100.0
232.06099	15.3
232.10185	5.3
249.08672	33.9
254.09334	1.2
255.07692	13.3
273.07217	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	273.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96453	1.1
55.01870	17.5
55.05508	6.6
57.03419	1.2
60.41430	1.1
61.01151	2.4
65.58775	1.2
68.05031	2.2
68.99791	15.0
69.03442	6.6
70.68465	1.5
71.01358	2.0
71.04994	5.7
72.04492	1.6
73.01137	3.2
75.02702	26.3
79.05492	2.0
80.05038	1.8
81.03436	3.5
83.04984	33.5
84.04498	24.1
85.02908	10.8
88.03992	29.9
90.03852	1.5
90.05558	5.7
91.02199	2.6
91.05488	1.8
95.04968	2.3
96.04485	4.2
97.02869	9.0
98.06055	4.7
99.04455	2.3
101.00599	21.3
101.06022	2.8
102.03783	5.0
102.05481	1.4
103.05467	6.4
105.03733	3.5
105.07047	1.2
107.04948	3.1
109.02891	2.3
110.06084	1.9
111.04439	12.3
112.03960	42.9
112.04714	2.5
113.02388	2.5
123.00768	2.9
126.05540	2.5
127.03885	4.1
128.05319	3.2
128.07080	2.9
129.05530	1.5
131.04924	16.2
139.00259	11.3
140.69363	1.3
142.04768	1.1
144.06551	50.9
156.04767	8.8
156.06505	6.0
162.05890	3.9
168.02943	3.1
169.01321	52.2
169.03030	2.4
169.03310	2.3
169.33328	1.4
173.05963	2.1
184.04228	2.4
190.05322	100.0
191.05653	1.5
225.08615	1.8
255.08765	1.7
273.03961	20.7
273.07581	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	273.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	18.7
55.05514	2.3
56.01397	0.9
56.05030	0.9
56.96558	1.6
57.03437	1.3
57.40408	0.8
61.01151	4.6
67.05499	1.7
68.05025	3.3
68.99792	4.5
70.06598	0.9
70.54489	1.4
72.04504	2.2
72.08167	1.5
73.01136	5.3
73.06517	0.9
75.02701	25.9
79.05482	1.6
80.05022	2.1
81.07065	1.6
82.06589	1.2
83.04977	2.4
83.08632	1.2
84.04501	21.7
85.02895	11.4
88.03989	27.3
90.05535	4.9
90.09162	1.3
91.02179	4.7
91.05486	1.3
95.04949	1.0
96.04508	4.6
97.02912	1.0
97.03952	0.7
98.06026	6.4
98.97565	4.2
100.03967	0.9
100.07618	1.9
101.00594	21.7
102.03765	7.6
102.05553	2.2
103.05460	1.5
105.03753	3.6
107.04942	1.7
107.06069	1.7
107.08588	2.1
107.26730	0.8
108.04465	2.8
110.06082	1.0
111.04443	1.4
112.03962	39.5
114.05570	0.9
115.05447	1.1
116.03443	0.8
116.98622	2.9
123.00788	1.2
126.01061	35.0
126.05509	2.2
127.03948	0.8
128.05283	3.8
128.07091	2.4
131.04927	3.5
134.99635	1.1
136.03970	1.0
137.02328	1.2
139.00259	4.4
141.03754	1.3
143.03717	23.1
144.06551	49.8
148.04260	1.0
149.09680	0.8
156.04756	11.8
156.06525	6.2
158.51514	0.8
161.02303	0.9
162.05841	6.4
166.08687	2.6
168.02869	3.6
169.01317	7.4
169.03227	2.1
175.03786	0.9
184.04274	2.8
184.09692	4.1
190.05316	100.0
191.05658	1.7
192.26471	0.8
203.03349	2.1
219.08405	0.8
225.08725	1.9
227.05806	16.3
245.04474	1.3
273.03763	1.9
273.06680	9.3
273.09216	3.4
273.18372	1.3
277.47626	1.0
290.94733	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0968
Annotation	4-Hydroxyphenyl hexopyranoside
Peak:m/z	Relative Intensity
52.25527	1.4
53.03940	3.9
55.01865	3.0
55.05514	12.4
57.03429	5.2
60.06522	1.5
61.02929	1.9
67.05481	3.9
68.99801	2.5
69.03428	17.4
69.79462	2.2
69.79809	4.3
70.06601	1.8
71.04994	10.4
72.08152	3.1
73.02892	2.8
75.04475	1.9
79.05488	1.4
81.03419	8.6
81.07075	2.0
83.04980	100.0
84.05348	1.8
85.02908	34.0
87.04423	1.4
90.05550	5.0
92.15331	1.4
95.01316	1.6
95.04967	4.8
97.02892	32.7
98.97591	2.5
99.04451	8.6
101.06026	6.5
103.05460	2.2
109.02878	6.4
111.04445	28.8
113.45970	1.3
116.03611	1.6
123.17619	1.3
125.09654	1.9
126.01087	14.3
127.03928	11.1
129.05476	7.0
131.04906	3.3
135.04469	1.7
137.06004	1.7
140.03465	1.7
143.03705	11.4
143.51131	1.4
145.04921	2.7
149.06012	1.9
149.09572	1.7
166.08672	3.1
168.02936	5.1
169.01358	7.9
169.03282	4.2
169.04987	1.9
172.12447	1.3
184.09726	7.2
193.17307	1.5
197.22470	1.5
210.08572	1.4
211.04471	4.1
227.05797	9.2
227.09189	1.7
241.04927	1.5
255.08623	4.9
261.13516	1.4
273.03848	2.3
273.06885	7.8
273.10001	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	273.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01870	16.4
55.05512	13.1
57.03435	6.4
61.01159	2.2
67.01871	2.4
67.05510	2.0
68.05015	2.6
68.99789	31.0
69.03425	16.4
71.01361	3.8
71.04979	6.9
71.07959	1.8
72.92835	1.4
73.01147	3.2
73.02908	3.7
75.02711	26.8
75.04470	2.0
79.05492	2.6
80.05000	2.0
81.03426	8.5
83.04980	100.0
84.04512	22.0
84.05305	1.7
85.02901	26.7
86.44717	1.7
88.03992	22.6
90.05550	2.8
91.02177	4.8
91.05475	4.8
92.99751	2.0
95.01351	2.2
95.04953	5.3
96.04492	4.7
97.02890	27.7
98.06060	5.4
99.04450	5.9
101.00581	17.4
101.02348	1.7
101.06023	2.7
102.03767	5.0
103.05463	12.4
105.03748	3.0
106.10883	1.7
107.04928	7.6
109.02877	4.8
111.00900	2.1
111.04447	27.4
112.03969	37.3
113.02345	2.8
123.00800	4.6
126.05530	1.9
127.03913	13.3
128.05263	2.5
128.07062	2.2
129.05470	5.6
131.04939	21.1
135.04427	7.6
137.02347	3.8
137.05923	2.0
139.00262	37.9
140.03448	1.7
141.01871	2.2
144.06555	46.8
144.07681	2.7
145.04945	2.6
149.06024	1.5
156.04794	12.1
156.06526	6.2
157.01329	2.1
162.05841	4.9
168.02971	5.6
168.99876	3.6
169.01320	74.8
169.03194	4.9
171.04411	2.1
173.05946	3.8
184.04317	4.4
186.01352	1.8
187.02530	1.7
190.05318	90.1
207.06494	2.1
255.02907	1.9
255.08632	5.6
273.03915	55.5
273.07529	62.4
274.04248	2.7
274.07748	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	273.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04634	0.5
52.53794	0.6
55.05503	2.4
56.96556	0.8
57.03430	1.1
57.07088	0.7
59.04990	2.2
60.05654	0.7
61.02918	4.3
69.07065	1.2
70.06586	3.4
71.04985	15.2
72.08150	2.1
75.02697	1.6
79.05486	2.7
81.03397	0.7
81.04539	1.0
81.07050	13.0
82.05316	4.5
83.06091	3.5
84.04486	0.6
84.08123	1.8
86.09691	2.2
87.08081	1.6
88.03969	1.0
93.07031	0.6
93.12139	0.5
95.06086	4.1
96.06897	0.6
97.07655	0.6
98.06078	2.9
98.97590	2.0
99.08109	0.7
109.03995	1.0
110.04778	31.5
110.05959	1.2
111.04421	0.9
111.05564	19.9
113.09634	27.3
114.09174	1.1
116.07115	0.7
116.98576	1.8
118.03259	0.8
125.07106	100.0
126.05573	0.6
126.07487	1.2
127.01569	1.6
129.73871	0.6
134.99649	0.8
137.07065	1.1
137.10747	0.6
141.68184	0.6
143.08125	1.0
144.06535	1.6
162.05838	1.7
163.12292	1.8
165.10115	0.9
179.11818	3.2
181.13402	0.6
184.09714	0.7
190.05264	6.1
191.11783	7.8
205.13379	1.7
209.12798	3.4
223.14395	38.2
224.14745	2.0
227.04631	1.2
241.15450	14.9
241.17911	0.8
255.17018	28.5
256.17261	0.8
267.27621	0.6
273.09497	0.8
273.12598	1.2
273.18066	20.4
274.18481	2.0
290.94574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59064	0.9
53.03942	1.6
55.01860	3.9
55.05504	14.1
57.03436	5.0
57.07059	1.4
58.06575	0.9
65.03926	1.6
67.05501	18.2
69.03408	2.9
69.07063	12.1
71.04978	2.3
71.42356	1.3
73.06559	0.9
77.03903	1.3
79.05486	19.6
81.03399	3.4
81.07056	20.8
83.04967	4.0
83.08607	5.4
85.06540	1.4
91.05472	34.8
93.03355	0.9
93.07038	15.5
95.04976	6.7
95.08609	10.9
97.06531	2.7
97.10159	1.7
103.05430	1.1
105.07024	30.0
107.04931	3.0
107.07925	1.3
107.08582	16.1
109.06496	4.7
109.10142	2.8
111.04391	0.9
111.08109	1.5
113.06024	1.5
115.05407	5.0
116.06209	3.7
117.07011	31.4
119.04925	1.6
119.08575	24.5
121.06506	4.8
121.10127	6.0
121.25837	0.9
123.04371	1.1
123.08054	3.1
123.11722	1.0
125.09618	10.4
128.06207	6.9
129.06993	17.1
130.07800	6.2
131.04898	1.6
131.08562	44.6
133.06477	7.8
133.10123	13.5
135.08044	8.1
135.11702	1.5
137.09579	2.3
141.06944	2.7
142.07738	4.2
143.08560	19.5
144.09296	2.2
145.06448	3.4
145.10117	46.9
146.07246	1.3
146.10501	1.5
147.04384	1.3
147.08035	17.4
147.11673	4.8
149.09618	3.6
153.07054	1.6
154.07594	0.9
155.08519	3.3
156.09343	1.8
157.10103	16.5
159.08047	4.1
159.11681	16.9
161.09631	14.5
161.13257	1.4
163.11154	3.1
167.08507	1.0
169.10078	3.9
171.08008	1.6
171.11674	10.1
173.09636	4.2
173.13235	3.6
175.11191	5.6
177.09070	1.0
181.10077	3.4
183.11699	1.7
185.09602	1.4
185.13246	4.4
187.11197	4.0
189.12717	2.7
191.10677	1.7
195.11636	2.9
199.11157	1.8
199.14774	1.3
201.12733	4.2
203.17950	1.2
209.13216	1.4
211.14740	1.8
213.12778	2.3
213.16382	2.3
215.14186	1.2
217.15817	3.0
227.17874	5.2
229.12218	1.3
231.17474	2.2
237.16368	5.0
245.19017	8.4
255.13686	1.4
255.17410	14.6
255.19928	1.5
273.14990	6.8
273.18457	100.0
274.18784	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.59064	0.9
53.03942	1.6
55.01860	3.9
55.05504	14.1
57.03436	5.0
57.07059	1.4
58.06575	0.9
65.03926	1.6
67.05501	18.2
69.03408	2.9
69.07063	12.1
71.04978	2.3
71.42356	1.3
73.06559	0.9
77.03903	1.3
79.05486	19.6
81.03399	3.4
81.07056	20.8
83.04967	4.0
83.08607	5.4
85.06540	1.4
91.05472	34.8
93.03355	0.9
93.07038	15.5
95.04976	6.7
95.08609	10.9
97.06531	2.7
97.10159	1.7
103.05430	1.1
105.07024	30.0
107.04931	3.0
107.07925	1.3
107.08582	16.1
109.06496	4.7
109.10142	2.8
111.04391	0.9
111.08109	1.5
113.06024	1.5
115.05407	5.0
116.06209	3.7
117.07011	31.4
119.04925	1.6
119.08575	24.5
121.06506	4.8
121.10127	6.0
121.25837	0.9
123.04371	1.1
123.08054	3.1
123.11722	1.0
125.09618	10.4
128.06207	6.9
129.06993	17.1
130.07800	6.2
131.04898	1.6
131.08562	44.6
133.06477	7.8
133.10123	13.5
135.08044	8.1
135.11702	1.5
137.09579	2.3
141.06944	2.7
142.07738	4.2
143.08560	19.5
144.09296	2.2
145.06448	3.4
145.10117	46.9
146.07246	1.3
146.10501	1.5
147.04384	1.3
147.08035	17.4
147.11673	4.8
149.09618	3.6
153.07054	1.6
154.07594	0.9
155.08519	3.3
156.09343	1.8
157.10103	16.5
159.08047	4.1
159.11681	16.9
161.09631	14.5
161.13257	1.4
163.11154	3.1
167.08507	1.0
169.10078	3.9
171.08008	1.6
171.11674	10.1
173.09636	4.2
173.13235	3.6
175.11191	5.6
177.09070	1.0
181.10077	3.4
183.11699	1.7
185.09602	1.4
185.13246	4.4
187.11197	4.0
189.12717	2.7
191.10677	1.7
195.11636	2.9
199.11157	1.8
199.14774	1.3
201.12733	4.2
203.17950	1.2
209.13216	1.4
211.14740	1.8
213.12778	2.3
213.16382	2.3
215.14186	1.2
217.15817	3.0
227.17874	5.2
229.12218	1.3
231.17474	2.2
237.16368	5.0
245.19017	8.4
255.13686	1.4
255.17410	14.6
255.19928	1.5
273.14990	6.8
273.18457	100.0
274.18784	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78412	0.5
58.06604	1.6
60.05638	1.5
70.06589	39.5
71.04982	1.5
72.08129	0.4
84.08142	1.8
88.03977	0.6
94.92992	0.5
97.74078	0.4
98.03534	13.1
98.97501	0.4
111.04299	0.4
112.08720	4.7
114.89318	0.6
116.07090	10.0
130.09752	12.3
130.10681	0.9
138.93770	0.6
140.04523	4.1
144.10190	100.0
145.10535	1.3
158.05608	18.5
176.93433	0.4
187.03682	1.9
210.08615	0.9
212.85152	0.6
221.03534	0.4
228.09718	0.6
241.80220	0.5
272.95850	0.4
273.11926	9.3
273.18796	0.7
274.10498	1.6
274.18835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26476	0.4
54.42812	0.3
58.06602	1.0
60.05642	0.9
60.09627	0.4
70.06594	7.8
71.04995	1.6
71.34147	0.4
75.98652	0.4
83.58964	0.4
84.08146	1.0
89.98196	0.3
90.61922	0.3
104.56902	0.4
112.08735	3.7
130.08769	0.6
130.09756	13.8
144.10191	100.0
145.10559	1.6
171.55760	0.4
186.49496	0.4
193.50722	0.3
271.79822	0.4
273.19409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23298	0.3
53.78499	0.3
56.96556	0.5
58.06590	1.0
58.84942	0.3
60.05638	1.1
70.06587	28.4
70.70596	0.6
71.04978	1.9
71.06899	0.4
72.08144	1.4
82.95313	0.4
84.08142	2.0
84.98208	0.4
86.07219	0.4
88.07631	0.5
94.06541	0.4
94.93008	1.5
96.92822	0.7
98.03533	8.2
98.97527	0.4
99.48615	0.4
100.02454	0.4
112.05093	0.5
112.08729	3.9
112.89568	0.5
114.10255	0.5
114.89339	0.9
116.07077	6.4
116.98615	0.5
126.12753	1.3
130.09750	15.0
136.93945	0.5
138.93805	2.2
140.04538	2.3
144.10185	100.0
145.10484	1.3
150.93846	0.6
152.91765	0.5
158.05600	12.1
166.93362	0.5
175.11911	0.9
176.93518	3.7
182.92883	0.6
187.03668	1.6
192.94928	1.0
196.87881	0.9
206.94572	0.6
210.08733	0.6
212.85162	1.1
212.93848	0.5
214.85086	0.7
228.09669	0.4
231.07730	0.9
272.95776	2.9
273.01459	0.6
273.09186	0.7
273.11890	7.0
273.19247	0.5
274.10464	1.2
274.18756	1.0
279.75266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03933	1.6
55.05257	1.6
55.05504	19.7
57.07077	10.9
61.02911	3.0
67.05167	2.0
67.05499	29.2
68.99748	2.4
69.07062	56.0
69.31661	2.1
69.32068	4.7
71.08614	2.1
79.05486	14.6
81.07050	61.5
83.08615	16.3
91.05480	13.3
93.07037	48.4
94.07334	1.6
95.04962	6.0
95.08600	83.4
96.08939	1.4
97.10170	11.2
105.07018	25.0
107.08585	71.5
108.08906	1.2
109.06470	3.9
109.10149	66.5
111.11721	7.7
115.42487	1.1
117.06960	1.1
119.08566	23.2
121.10137	46.8
123.08039	1.1
123.11700	34.4
125.13241	3.2
129.01819	10.5
131.08571	1.5
133.10129	19.4
135.11684	39.1
137.13242	12.7
141.96085	1.2
145.10107	1.8
147.11668	19.5
149.05948	2.8
149.13239	44.7
151.14824	3.3
151.46729	1.1
157.01273	4.0
159.11679	3.6
161.13275	20.2
163.14806	40.1
165.16385	2.4
173.13235	1.5
175.14827	15.6
177.16356	21.3
189.16350	12.6
191.17915	15.3
203.17931	20.9
213.16341	1.4
215.18080	1.6
217.19505	18.1
231.21060	3.3
255.21153	2.0
273.18509	4.4
273.22452	4.8
273.25732	100.0
274.26007	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03937	1.8
55.05263	1.8
55.05511	23.5
57.07071	11.2
65.03944	2.0
65.40839	1.1
67.05502	28.5
69.07064	45.5
70.06598	1.5
70.16151	3.4
71.08615	2.8
74.90404	1.1
79.05485	15.4
81.07053	71.0
82.07365	1.2
83.04979	2.5
83.08618	16.8
85.10156	1.5
91.05478	13.3
93.07040	50.9
95.04958	13.3
95.08602	83.0
96.08920	2.1
97.10159	12.5
98.35062	1.3
102.11610	1.3
105.07022	25.1
107.08588	69.7
109.06525	4.2
109.10150	59.6
111.04409	2.5
111.08015	1.4
111.11742	6.4
117.06992	3.2
119.08586	27.2
121.10138	47.1
123.08038	1.7
123.11701	32.5
125.13223	2.4
129.06970	1.7
131.08591	3.3
133.10118	19.0
135.08128	1.4
135.11682	40.2
137.13225	11.8
143.08562	3.3
145.10129	5.9
147.11671	18.9
147.12727	2.2
149.13251	40.5
151.14775	3.4
157.10141	2.6
159.11678	2.9
160.61089	1.3
161.13249	18.7
163.06578	1.1
163.13496	2.6
163.14812	36.7
165.16451	2.2
173.13260	2.8
175.14813	16.2
177.16374	24.3
184.51414	1.2
185.13280	2.3
189.16389	12.3
191.17912	14.8
199.14804	3.0
203.17926	15.4
215.18008	3.0
217.19522	16.4
224.85339	1.1
227.17937	1.4
229.19354	1.4
231.21039	3.4
245.22575	1.8
255.21030	7.3
273.03998	1.7
273.18781	2.3
273.22247	13.3
273.25732	100.0
274.27148	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	274.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33610	0.9
55.05499	1.1
60.05623	2.1
68.05030	1.1
69.03414	1.4
70.06583	9.5
70.24253	1.4
70.24563	1.0
71.06927	1.2
72.08152	7.9
94.06562	1.3
95.06089	21.5
95.57718	0.9
112.08714	2.4
112.89592	3.7
113.07118	68.5
114.79768	0.9
114.89340	4.2
116.07092	2.0
123.81892	0.8
125.19464	0.8
130.09743	1.5
131.10091	0.9
138.05508	8.1
139.91443	1.5
144.10173	9.0
145.10547	9.1
158.09299	1.9
170.94312	3.6
171.04158	4.2
174.07289	0.9
174.49612	0.9
175.11913	6.3
187.03658	100.0
188.03949	1.7
215.03156	10.6
215.05081	1.1
244.07721	1.2
257.16229	1.0
274.10492	85.8
274.18634	12.4
275.10229	0.9
275.12241	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	274.1761
Annotation	(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine
Peak:m/z	Relative Intensity
52.14695	0.9
56.05015	1.0
56.96558	3.2
58.06589	1.3
60.05644	2.6
60.46556	0.9
69.99738	3.1
70.06593	12.2
71.04980	4.3
72.08147	8.6
73.02915	1.2
84.04539	1.2
84.08138	10.7
86.09702	100.0
93.97906	1.0
98.22823	1.6
98.97584	14.5
115.08707	1.1
116.07092	2.8
116.14658	1.1
116.98612	11.2
129.10223	2.8
134.99623	5.7
144.10161	5.2
157.13358	56.6
161.12836	4.1
175.11850	4.9
185.12848	16.9
203.13899	4.8
256.96381	1.5
258.59155	1.2
274.16394	1.9
274.18701	12.7
274.21307	2.2
274.27319	4.4
274.97440	9.9
292.98508	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	274.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40237	1.6
55.05498	1.9
56.05017	3.1
56.96552	1.9
57.02363	1.3
64.31513	1.6
69.03429	2.1
70.03751	1.7
70.06589	20.6
70.18748	3.5
70.73674	1.4
72.08150	9.1
78.17862	1.4
79.05446	1.7
80.05006	2.5
84.04499	75.8
84.08130	7.0
85.02897	2.0
86.09698	93.7
98.97578	15.8
101.07116	5.0
112.07579	1.7
112.08765	1.7
113.02351	9.1
114.02689	10.2
116.07104	10.7
116.98618	13.7
120.08092	3.1
128.97736	1.7
129.10243	2.3
131.11813	5.4
134.99640	5.9
143.08156	2.8
144.06544	100.0
145.06985	2.4
161.09207	91.4
175.11925	5.4
211.04463	1.7
212.04803	13.0
229.93524	1.9
240.12296	3.3
242.15025	1.8
254.32761	1.6
257.14996	4.6
274.18021	17.5
274.27502	6.1
274.97556	9.3
292.95081	1.5
292.98447	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	274.2739
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
52.79770	0.3
54.82883	0.3
57.07074	7.6
58.06594	0.5
58.80037	0.3
62.06071	0.8
70.04076	0.7
70.06589	12.2
70.15518	0.7
71.08636	2.8
85.10189	0.9
87.46684	0.3
88.07627	17.4
94.61670	0.3
102.09167	4.0
106.08656	8.9
173.53387	0.3
192.42702	0.3
201.44727	0.3
208.84024	0.3
230.24791	0.6
253.40352	0.3
256.26355	6.5
274.27383	100.0
275.20053	0.7
275.27673	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	275.055
Annotation	Altenuisol
Peak:m/z	Relative Intensity
55.05494	1.0
56.05020	1.0
56.96537	1.3
67.01864	9.6
67.35336	0.6
68.99786	4.6
69.03432	3.3
70.06566	1.9
71.01351	59.6
71.04945	0.9
72.08135	1.8
74.06040	1.6
81.07052	0.7
84.08108	2.2
85.02888	1.2
86.09702	8.1
90.74291	0.6
90.96729	2.8
91.05483	9.2
95.01336	3.8
98.97572	4.7
102.05571	0.9
105.07020	0.8
113.02363	24.2
113.87852	0.8
114.09138	0.8
116.98591	4.8
119.04939	31.1
120.06576	1.2
121.02860	16.6
126.09177	0.6
128.06174	0.9
128.10692	3.1
129.01802	0.8
129.06970	0.8
131.04849	1.9
132.55002	0.7
132.69771	0.7
134.99609	1.4
145.02840	2.1
146.05951	1.1
147.04401	61.5
148.04652	0.9
157.06456	3.1
162.07582	1.1
163.03906	5.2
168.13811	1.3
170.05977	0.9
189.05444	1.8
202.08629	1.0
213.05460	15.8
227.18631	1.8
229.05086	1.5
231.06512	100.0
232.06917	3.2
247.05991	1.8
257.04395	1.9
274.18771	1.9
274.23212	0.9
274.97412	3.1
275.05472	62.1
275.10397	1.7
275.14456	3.5
275.19281	1.0
276.05811	1.4
292.98560	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	275.0549
Annotation	Altenuisol
Peak:m/z	Relative Intensity
67.01862	36.1
68.99776	3.8
69.03423	0.8
70.25498	1.5
71.01350	40.4
72.08136	2.0
72.48846	0.7
74.06058	2.4
84.08107	1.6
86.09701	8.0
86.52579	0.6
91.05479	3.8
95.01324	0.7
100.86376	0.6
113.02360	19.7
114.47696	0.6
119.04929	18.0
120.08126	3.4
121.02858	45.7
122.03112	0.7
122.73483	0.7
131.04884	3.2
132.10191	1.1
135.28500	0.7
139.47891	0.6
145.02835	17.4
145.06473	1.4
147.04398	17.1
154.09912	0.6
163.03893	15.9
173.05945	1.5
183.04337	0.8
185.05975	0.7
187.03917	7.9
189.05464	1.1
190.53476	0.6
201.05405	1.3
211.03844	4.0
213.05411	4.0
229.04875	4.5
231.06509	75.6
232.06815	2.0
247.05998	100.0
248.06282	3.5
261.43549	0.9
275.05478	19.8
288.22620	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.11
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16874	0.6
56.05015	0.6
56.96551	1.0
62.97442	0.4
69.73344	1.8
70.06570	0.9
71.77145	0.5
72.08136	1.5
84.04505	1.3
84.08134	6.4
85.08465	1.0
86.09688	2.2
87.10022	0.9
92.50068	0.4
98.97583	6.3
112.99991	0.6
116.98611	3.9
129.10207	1.3
134.99655	1.7
144.10146	1.4
145.10542	1.0
161.12874	1.5
162.13258	0.7
216.20964	0.6
274.27283	0.7
274.97455	5.2
275.10989	100.0
276.11255	2.0
292.98447	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	275.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22200	0.4
56.05024	0.7
56.96562	6.5
58.03418	0.5
60.05648	0.5
69.95896	1.2
70.06583	2.1
70.95849	1.5
72.08144	2.2
80.18060	0.4
83.06070	0.6
84.04496	1.9
84.08137	7.2
85.57536	0.4
86.09713	0.4
91.25282	0.5
95.06077	1.0
97.02883	0.5
98.97578	27.5
100.54248	0.5
101.00874	1.6
102.09198	0.6
113.07134	3.5
116.98620	21.2
117.04003	0.8
119.01910	5.8
125.07126	0.7
129.10214	2.3
130.04958	0.7
130.08658	0.6
130.93253	0.6
131.01945	0.6
134.99655	9.9
137.02963	1.3
138.05519	0.6
140.00171	0.6
143.01828	0.8
145.03424	1.2
153.00705	1.1
154.94128	0.8
157.03494	0.6
159.05028	1.6
161.02971	0.9
170.06108	0.6
172.95367	0.7
173.02913	0.8
176.12126	0.7
177.06120	0.5
187.04472	0.7
189.02525	0.8
190.95070	1.6
203.03981	0.9
203.07652	0.9
208.96033	1.9
231.07729	1.1
232.96158	2.5
234.99759	0.5
250.97221	2.1
256.96341	3.6
274.97430	26.8
275.10989	100.0
275.20862	1.2
275.97565	1.0
276.11334	2.3
292.98480	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	275.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65359	0.3
57.03422	0.4
61.02908	0.6
62.98241	1.1
68.05021	1.3
68.63631	0.2
69.03423	1.4
70.06585	0.4
71.43156	0.3
72.84449	0.2
81.03411	0.6
85.02900	2.6
87.04462	0.3
95.06087	29.3
96.06431	0.4
97.02869	1.0
105.33369	0.3
109.02866	0.4
113.07122	100.0
114.07453	1.1
119.01884	0.3
125.16360	0.2
127.03884	0.4
131.01939	0.3
132.04390	0.3
141.02898	0.2
144.10191	0.6
145.03485	0.3
145.10559	0.9
146.10716	1.1
170.94322	2.9
173.03015	0.8
187.03552	0.5
188.04074	0.6
189.03558	0.4
189.98816	0.4
191.03990	1.4
192.37198	0.3
193.00894	0.9
250.85622	0.3
257.05002	0.3
275.06497	0.8
275.12445	10.3
276.12854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63590	0.8
53.66815	0.8
56.05035	1.5
64.44395	0.7
67.05484	1.2
69.07065	1.6
70.06585	3.9
71.04972	1.5
71.42926	0.9
72.08148	1.8
73.77203	0.7
74.06062	1.0
84.04501	36.5
84.08119	3.6
84.91755	0.7
85.02901	2.6
86.06058	0.8
86.09702	100.0
90.96765	0.8
93.07105	0.7
98.09704	0.8
98.97591	3.4
100.11265	1.2
102.05531	12.8
116.07073	5.4
116.98601	2.6
121.02829	0.8
128.00792	1.6
130.04826	0.7
134.99623	1.7
140.71776	0.7
144.06554	41.7
161.02385	1.2
161.09473	0.8
162.07608	75.9
163.07928	0.9
169.55650	0.8
175.11940	3.3
177.77293	0.9
189.01828	4.4
192.05107	0.7
205.04916	0.8
207.02995	2.1
215.13945	1.8
229.05225	1.8
235.02411	2.1
243.13072	1.1
247.05943	0.9
250.89322	0.7
252.89207	0.8
257.04379	4.1
257.15051	1.5
261.46863	0.9
274.97488	2.2
275.05542	12.5
275.10291	1.3
275.13629	1.0
275.16116	9.9
292.98520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01867	2.6
55.05514	17.1
57.07071	3.9
57.14127	1.7
59.28274	2.0
61.90041	1.6
66.55122	1.8
67.05494	23.6
69.03417	2.0
69.07057	10.4
71.04981	3.5
71.08627	2.3
79.05488	23.2
81.07049	25.9
83.04966	2.9
83.08614	5.3
91.05477	37.9
93.07040	25.4
95.04962	5.3
95.08589	17.1
97.06524	5.5
97.10159	4.2
105.07020	52.6
107.04955	5.6
107.08582	16.3
109.06500	3.4
109.10151	8.0
111.08031	2.8
112.57092	1.9
117.07017	7.6
119.08584	32.8
119.47628	2.0
119.71714	1.9
121.06529	3.4
121.10130	13.4
123.08089	2.2
123.11714	3.4
125.09550	2.2
127.29581	2.0
131.07626	2.6
131.08524	16.5
133.06467	2.4
133.10127	30.4
135.08040	6.7
135.11671	5.9
137.09592	3.2
141.07022	2.3
145.10106	10.8
147.11664	19.3
149.09569	4.0
149.13240	5.2
157.10091	2.9
159.11679	10.1
161.13245	7.1
163.11169	6.7
165.12683	4.5
169.10182	2.9
171.11690	2.7
173.13271	6.2
175.11089	1.9
177.12677	2.7
183.11626	2.6
187.14864	2.7
195.75046	1.9
197.13208	4.1
201.12730	1.7
215.14455	1.7
229.19568	4.4
239.17963	7.9
247.20354	3.7
252.88283	2.0
257.18915	10.5
275.04929	3.9
275.20047	100.0
275.27847	10.4
276.20590	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.4
55.01860	2.6
55.05508	13.1
57.03417	2.6
57.07063	4.7
58.07407	1.3
59.04977	1.4
65.03928	1.4
67.05503	15.3
69.07070	9.7
69.53869	1.0
71.04982	2.5
71.41868	1.3
79.05487	16.0
81.07051	17.3
83.04977	1.8
83.08622	6.4
85.06522	2.7
88.07603	2.5
91.05480	43.7
93.07043	15.5
93.63297	1.0
95.04957	2.7
95.08598	11.0
97.06525	1.3
97.10155	1.5
98.97601	1.9
103.05457	1.4
105.07030	68.9
106.08681	3.0
107.04941	1.6
107.08569	10.2
109.06492	2.0
109.10180	5.7
111.08071	1.2
116.98607	1.6
117.07036	10.2
118.07845	1.1
119.08583	40.5
121.06505	1.5
121.10151	3.7
123.08076	1.5
123.11688	1.4
125.09655	1.5
129.06966	4.2
131.08559	12.9
133.10124	34.0
133.11150	1.8
135.11656	4.1
141.06958	1.7
143.08540	4.1
144.09378	1.1
145.10133	14.5
147.11684	35.3
149.09586	5.0
149.10696	2.2
155.08554	1.3
157.10112	3.5
159.11687	11.8
161.09599	1.7
161.13232	5.9
163.11176	2.6
169.10094	3.4
171.11681	2.8
173.13260	4.2
175.14761	1.6
183.11737	2.2
185.13234	5.6
187.11234	1.2
191.14169	1.2
201.16495	1.3
203.14317	4.5
219.17429	1.8
229.19637	1.6
239.17934	4.6
257.18933	8.8
274.27219	1.5
275.05029	1.9
275.20038	100.0
275.27780	14.3
276.20444	3.6
293.91348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
52.05948	0.6
53.03931	0.9
55.01857	2.7
55.05256	0.9
55.05507	13.7
57.03425	0.6
57.07070	0.8
65.03917	1.0
67.05503	12.6
69.07066	9.4
69.49606	1.3
69.49976	2.7
71.04968	1.5
73.06561	0.7
76.81998	0.6
77.03925	0.8
79.05486	17.4
81.07049	16.9
83.04955	1.8
83.08207	0.5
83.08620	4.7
85.06534	0.8
91.05473	35.5
93.07041	15.3
94.80388	0.6
95.04951	2.7
95.08600	10.7
97.06523	2.0
97.10164	1.7
103.05460	1.6
105.04514	1.3
105.07024	55.7
107.04936	2.7
107.08583	12.9
109.06526	1.7
109.10143	4.8
111.08068	1.0
113.06040	0.7
115.05455	1.1
117.07008	10.0
118.07789	0.8
119.08572	32.0
121.06479	2.5
121.10123	5.9
123.08044	1.5
123.11724	1.1
125.09612	1.1
129.06984	1.6
130.07784	0.8
131.08559	11.5
133.10120	28.5
135.08034	2.9
135.11662	3.9
137.09583	1.6
143.08580	2.0
145.10107	12.0
147.08043	0.9
147.11671	21.3
149.09596	5.9
149.13295	0.8
151.11186	1.3
155.08536	1.5
157.10149	2.0
159.11690	8.3
161.09604	1.4
161.13222	5.5
163.11179	3.9
165.09029	0.9
169.10062	1.6
171.11699	3.2
173.13234	4.2
175.11185	1.2
175.14786	0.9
183.11647	1.9
185.13286	1.1
187.11249	0.9
193.12283	0.7
197.13263	2.1
201.12605	1.3
205.12183	0.8
211.14743	0.9
219.13705	0.9
229.19499	1.8
233.15398	1.4
233.18979	0.9
239.18028	3.5
239.19974	0.7
247.20522	2.3
257.18997	7.6
275.20041	100.0
276.20242	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03936	1.7
55.01858	2.1
55.05257	1.0
55.05510	12.4
57.03416	1.4
60.71925	0.8
65.03961	0.9
67.05163	1.4
67.05500	20.7
68.99782	3.6
69.03427	2.0
69.07070	9.2
71.04972	1.9
71.43016	0.9
79.05487	19.0
81.03412	5.6
81.07052	24.1
82.95139	0.8
83.04966	1.8
83.08627	5.1
85.06522	1.5
90.03889	0.8
91.05473	36.7
92.05753	0.9
93.07040	21.5
95.04961	6.1
95.08605	12.6
96.70681	0.8
97.06519	3.3
97.10120	1.2
99.04420	1.0
103.05460	16.7
105.04520	1.0
105.07022	52.1
107.04951	4.3
107.08576	16.3
109.02843	2.0
109.06496	3.6
109.10159	6.2
111.08049	0.9
115.05461	1.3
117.07006	10.2
119.08571	33.8
119.09425	2.0
121.02903	0.9
121.06496	2.9
121.10125	7.4
123.08036	2.2
123.11638	1.4
125.09589	1.4
128.06256	0.9
129.01743	1.1
129.06976	3.0
129.34462	0.8
131.04915	53.1
131.08553	13.7
132.05214	1.1
133.06471	1.8
133.10115	33.0
135.08047	4.3
135.11653	5.1
137.09625	4.6
137.13107	1.0
141.06955	3.0
143.04291	0.9
143.08530	2.5
145.10104	11.0
147.08014	1.6
147.11678	22.0
149.09612	7.7
149.13249	2.3
151.11168	4.9
155.08514	1.7
157.10135	2.3
159.11685	9.6
161.09630	1.8
161.13246	5.6
163.05309	1.0
163.07532	0.8
163.11163	6.1
165.09062	1.3
165.12799	1.5
168.09258	1.0
169.03232	1.0
169.10101	1.9
170.01706	1.2
170.03349	2.4
170.99307	0.8
171.01729	1.4
171.03690	1.7
171.11653	2.6
173.05986	2.9
173.13220	4.8
175.11168	1.8
175.14799	1.9
177.12709	2.5
180.15800	0.8
183.11670	2.4
187.07529	1.7
187.11198	1.2
187.14822	1.5
189.12732	1.2
191.14296	1.2
197.13277	3.5
201.05487	1.3
201.12627	1.7
202.12415	0.8
215.07007	3.5
215.17912	1.0
219.13721	1.0
229.19400	4.5
231.06430	1.0
239.17921	6.5
247.05905	2.4
247.20523	3.6
257.04364	1.1
257.18994	10.4
275.05258	3.1
275.09897	4.0
275.20032	100.0
276.20395	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03930	2.1
53.53156	0.8
55.01871	8.6
55.05258	1.1
55.05509	16.3
57.03429	1.3
57.07070	1.9
59.75483	0.9
67.05163	1.7
67.05499	19.7
69.03417	1.3
69.06718	0.9
69.07063	11.8
69.26408	5.3
71.04982	1.8
77.03893	1.1
79.05484	22.7
81.03411	1.5
81.07051	38.9
83.04964	3.6
83.08624	5.7
85.06526	1.6
91.05473	56.2
92.05814	1.2
93.07038	22.1
95.01321	0.9
95.04945	5.4
95.08602	13.2
97.06524	9.4
97.10152	2.8
98.22715	2.1
102.29853	0.9
103.05440	3.0
105.04523	1.8
105.07021	100.0
106.07358	1.6
107.00592	0.9
107.04929	4.1
107.08573	12.3
109.06501	2.2
109.10122	4.6
115.05462	1.4
117.07002	9.8
118.07700	1.2
119.08573	40.9
119.09428	2.0
121.06486	1.9
121.10129	6.3
123.08037	2.5
123.11615	1.4
125.09628	1.5
129.06970	1.8
131.07658	1.5
131.08560	19.9
132.09357	1.2
133.10115	58.0
134.10454	1.2
135.08076	1.9
135.11682	2.8
137.09575	1.3
143.08554	3.0
145.10104	11.8
147.10565	1.7
147.11681	20.0
149.09669	1.3
151.11185	1.9
155.08560	1.5
157.10095	3.3
159.11671	6.5
161.09633	1.2
161.13242	3.8
163.11194	1.9
169.10109	1.8
171.11655	2.0
173.13229	2.5
175.14845	1.0
177.12808	1.4
181.12195	0.9
183.11671	2.0
189.12671	1.0
197.13217	1.4
201.12732	0.9
239.17986	1.4
247.20490	2.2
257.18951	7.0
275.20035	76.5
275.27731	2.7
276.20352	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01868	3.9
55.05505	15.6
57.07060	2.4
62.93940	1.3
67.05505	22.3
69.07067	10.5
71.05000	1.9
79.05483	23.0
81.03420	1.5
81.07050	28.4
83.04990	2.2
83.08607	6.4
85.06575	2.2
91.05477	35.6
93.07038	24.3
95.04958	6.8
95.08601	17.6
97.06523	5.4
97.10172	1.8
105.04499	1.3
105.07021	54.7
107.04960	5.0
107.08585	18.6
109.06498	7.3
109.10137	10.8
111.08066	2.1
117.07014	13.3
119.08572	30.1
121.06506	4.2
121.10153	10.6
123.08074	3.9
123.11692	1.9
125.09640	1.4
129.07007	2.6
131.08548	14.1
133.06464	2.3
133.10124	36.1
135.08054	4.4
135.11670	5.8
137.09636	3.6
143.08589	2.0
145.10123	12.9
147.08023	1.8
147.11693	18.4
149.09615	7.2
149.13257	3.5
151.03827	1.4
151.11122	3.3
155.08572	1.6
157.10110	2.7
159.11636	9.3
161.09621	2.5
161.13261	6.6
163.11142	7.5
169.10155	2.5
171.11621	3.4
173.13255	6.4
175.11192	2.1
175.14792	1.6
177.12775	1.9
179.14171	1.4
185.13086	1.5
187.11330	2.3
187.14751	3.0
197.13208	1.9
199.14911	1.5
229.19528	4.3
239.17867	6.8
247.20534	2.3
257.18973	11.9
274.27429	1.9
275.04758	2.1
275.20044	100.0
275.27579	6.9
276.20380	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	276.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02514	0.4
55.05495	0.4
58.06598	7.2
69.39057	0.9
69.39455	0.6
70.06592	0.6
72.08155	8.0
84.08139	8.1
95.04944	0.5
98.22715	0.6
101.71795	0.3
103.05460	21.6
104.05788	0.4
104.06483	0.3
112.11236	15.2
121.02920	0.3
129.13873	2.1
130.12262	0.6
131.04919	100.0
132.05255	1.7
138.75345	0.3
146.16504	0.5
148.07571	0.4
188.10701	5.2
202.12257	22.2
203.12543	0.4
219.14923	2.7
258.19604	0.9
259.18039	17.4
260.18503	0.4
276.20694	76.4
277.21002	2.9
296.21655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	8.3
70.95850	1.5
71.42415	0.9
84.08140	1.8
85.08460	1.1
86.14941	1.0
98.97571	100.0
101.00826	1.1
103.01141	1.0
116.98611	57.0
119.01922	2.0
120.14872	0.8
121.14182	0.9
131.01941	1.1
133.02811	1.0
134.99638	25.1
135.11800	0.8
143.95139	0.9
153.00735	1.3
161.02971	2.3
163.03879	5.3
176.02338	1.0
177.00931	1.1
179.00732	2.0
192.94852	2.2
205.02307	2.1
210.95929	5.7
219.02014	3.0
234.95903	3.4
234.99883	1.4
240.98538	4.6
247.04054	1.0
249.09047	1.9
249.94626	1.2
252.96898	5.2
258.99725	64.2
259.99936	3.4
267.95694	1.3
276.97046	10.0
277.00778	87.2
277.03970	3.4
277.07950	2.5
278.00961	3.5
294.98029	8.4
295.01221	1.5
295.05978	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	277.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.05507	15.1
56.05846	0.3
57.07069	2.5
58.07401	0.3
65.03938	0.9
67.05490	0.7
69.07051	0.7
70.06574	1.0
71.06911	0.4
78.21652	0.2
79.05479	0.9
81.07037	1.1
81.90941	0.2
88.07623	1.1
88.53780	0.2
89.07963	0.6
90.08031	0.3
91.05456	0.8
93.03383	0.6
93.07032	1.0
95.04978	0.5
95.08589	0.5
105.07027	0.8
106.08658	0.3
107.08531	0.6
108.09029	0.3
109.10146	0.5
111.08060	0.3
119.08560	0.5
120.08906	0.3
121.02863	4.6
121.03909	0.6
121.10119	0.5
131.08574	0.4
133.10126	0.4
135.11714	0.5
145.10114	0.4
149.02325	100.0
149.13297	0.3
150.02650	1.8
160.06833	0.3
161.13286	0.3
163.11269	0.2
167.03398	1.6
175.07671	0.2
175.14757	0.3
190.04865	0.4
203.07033	2.2
205.08571	1.6
223.09619	0.5
249.08958	0.3
259.27332	0.3
276.27985	5.1
277.08539	0.9
277.14178	2.5
277.21451	1.9
277.28259	5.0
279.99249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07629	0.3
52.82771	0.3
53.03934	0.5
55.05511	12.2
57.07066	1.1
65.03934	0.9
67.05494	1.8
69.03397	0.4
69.07066	0.6
69.20308	1.7
71.04980	0.4
72.30814	0.3
79.05481	2.2
80.02104	0.3
81.07047	2.5
83.08636	0.6
83.81271	0.3
85.06545	0.3
91.05487	1.6
92.76377	0.3
93.03390	0.4
93.07036	2.6
95.04972	0.7
95.08594	1.8
96.52489	0.3
98.23529	0.6
103.05439	0.3
105.07018	1.6
107.08575	1.9
109.06509	0.6
109.10159	1.8
111.04444	0.6
115.66653	0.3
119.08596	1.5
121.02866	4.3
121.03831	0.5
121.10142	1.5
123.11731	0.4
131.08609	0.7
133.10129	1.1
135.11702	1.6
137.09579	0.4
138.72272	0.3
142.07889	0.3
145.10078	0.4
147.11630	0.7
149.02336	100.0
149.09615	0.5
149.13249	0.8
150.02676	1.8
151.11156	0.8
157.10075	0.5
159.11632	0.4
161.13240	0.7
167.03415	1.3
175.07663	0.4
175.11203	0.3
175.14816	0.5
190.04944	0.3
193.10109	0.5
201.16266	0.4
203.07011	1.0
205.08627	1.0
221.08014	0.6
249.09088	0.9
259.20596	0.7
277.08658	2.0
277.14316	3.4
277.17258	0.4
277.18307	0.4
277.21606	4.0
281.47287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1799
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03943	1.0
55.01862	10.1
55.05507	4.8
57.07066	1.6
62.96301	0.3
65.03932	0.5
67.05499	6.0
69.03423	0.7
69.07058	3.9
69.18799	2.0
71.04960	0.4
71.08618	0.5
78.43359	0.3
79.05047	0.6
79.05486	9.2
79.05946	0.4
81.07050	36.1
82.07372	0.5
83.04987	2.1
83.08614	1.8
84.78413	0.3
91.05471	3.1
92.98710	0.3
93.06449	0.4
93.07035	6.9
95.04921	1.6
95.08599	5.5
96.49429	0.3
97.06524	1.0
97.10137	0.4
98.22722	0.8
101.09641	0.3
105.03394	0.5
105.07021	3.4
107.04946	0.4
107.08578	4.8
109.06509	13.7
109.10136	2.1
111.04430	11.4
111.08095	0.8
117.07045	0.7
119.08569	3.6
121.10124	3.5
123.08071	1.7
123.11710	1.1
125.05988	3.7
125.09593	0.6
128.06203	0.4
129.06995	0.4
131.08536	2.2
133.10107	2.8
135.08029	1.9
135.11673	3.6
137.05962	100.0
137.13269	1.3
138.06262	1.7
142.07759	0.5
143.08516	1.5
145.09085	0.3
145.10088	1.6
145.11288	0.3
146.07236	0.4
147.07985	1.1
147.11659	3.7
149.09598	2.9
149.13255	1.2
151.07503	2.4
151.11165	1.0
152.08014	0.3
157.10117	1.2
159.11700	0.7
161.09604	5.6
161.13246	2.2
163.07605	0.4
163.11188	2.4
163.14793	1.0
165.09126	2.0
165.12737	0.5
167.10751	0.5
171.11691	1.3
173.13272	0.8
175.11169	4.4
175.14830	1.0
177.09068	0.3
177.12724	0.5
179.10733	1.7
181.12270	0.7
185.13229	0.5
189.12700	0.6
193.12141	0.6
201.16277	0.4
203.17984	4.1
205.19513	0.5
213.16377	2.1
221.18994	1.5
223.14803	0.5
231.17415	5.0
232.17686	0.4
235.13318	0.6
241.15860	0.8
249.16281	0.4
249.18520	3.1
277.08521	0.9
277.17975	4.9
277.21576	2.4
296.32224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03948	3.0
55.01865	2.0
55.05511	18.7
57.07062	2.8
65.03947	1.3
67.05158	2.4
67.05504	35.5
69.07063	16.1
70.70944	2.4
71.04995	2.6
77.03924	3.9
79.05492	80.7
80.30254	1.1
81.06567	1.9
81.07053	39.6
83.04993	2.1
83.08601	7.3
85.06541	1.2
91.05481	25.6
93.07043	100.0
94.07385	1.9
95.04970	9.4
95.08611	28.2
97.06511	2.7
97.10170	4.9
105.04518	4.3
105.07024	15.4
107.08587	52.4
109.06509	2.3
109.10161	11.5
113.05960	1.4
117.07046	3.4
118.07224	1.1
119.08577	13.0
121.10146	46.5
121.54757	1.1
123.11660	2.7
129.06999	1.7
131.08562	4.3
133.10114	12.5
135.08026	1.9
135.11691	46.9
136.12128	1.6
143.08568	2.8
145.10124	4.5
147.11713	6.3
149.09622	2.9
149.13261	24.7
151.11258	1.7
156.41068	1.2
157.10117	3.3
158.07487	1.1
159.11699	3.1
161.13264	4.7
163.11186	2.2
163.14833	5.8
167.10733	1.6
171.11674	5.0
173.13277	2.5
175.11232	1.7
175.14772	1.6
185.13271	1.9
187.99777	1.3
199.14867	1.1
203.14211	1.2
207.13818	2.2
213.16335	2.2
217.12297	1.8
221.15341	2.7
235.16904	3.7
241.19498	1.7
259.20535	3.1
277.21646	62.0
277.28174	11.0
278.22015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03952	5.7
55.01863	9.6
55.05511	61.7
57.03455	2.7
57.07071	15.3
59.05007	3.3
65.03941	4.0
67.05156	5.5
67.05501	69.6
69.07072	36.9
71.04993	4.4
71.08639	12.1
71.43553	3.9
73.06562	6.1
79.05491	86.6
81.07056	93.1
83.04987	17.1
83.08619	17.1
85.02434	4.1
85.02892	17.2
91.05473	48.0
93.07038	86.5
93.07604	4.9
93.54064	3.5
95.04979	24.2
95.08598	64.7
97.06515	22.4
97.10159	12.6
105.07024	44.9
107.08586	59.2
108.08958	3.2
108.77961	3.1
109.06510	18.4
109.10159	21.1
111.04426	7.2
112.62537	2.6
113.09642	5.0
115.05482	3.0
117.07030	7.1
119.08572	31.9
121.06509	4.0
121.10136	30.8
123.08066	8.5
123.11668	17.2
125.09620	5.1
129.07008	12.8
131.08586	12.1
133.10136	23.4
135.08072	2.9
135.11687	23.5
137.06020	4.5
137.09528	3.3
143.08559	13.9
145.10152	10.2
147.08018	4.2
147.11693	22.3
149.02350	13.5
149.13206	20.9
151.14897	3.5
153.12773	6.9
157.10060	6.0
159.11653	5.5
161.09695	5.8
161.13220	24.9
163.14807	9.7
165.12756	20.8
167.14326	3.4
167.50688	3.4
171.11687	22.4
175.11179	5.5
175.14828	14.7
177.12785	5.5
177.16367	9.2
178.07787	20.2
179.10684	4.4
179.14305	21.0
181.12292	6.9
185.13252	11.8
189.12767	4.6
191.14296	4.2
191.18008	5.4
192.09291	3.8
193.10135	15.8
193.15939	8.6
199.14903	6.0
202.07733	5.3
203.08511	4.5
205.06841	3.1
206.10811	3.4
207.11705	8.9
207.13737	6.7
217.10094	7.3
217.19495	5.1
221.13376	5.0
231.20995	19.9
233.13403	3.3
234.14073	3.7
235.14983	6.8
241.19516	34.0
247.20596	5.1
249.09152	22.6
249.22128	25.5
259.20572	42.7
262.13611	4.3
277.08536	39.0
277.15759	14.3
277.21716	100.0
278.21811	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	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03939	2.7
55.01863	3.2
55.05256	1.4
55.05508	19.3
57.03432	1.8
57.07074	5.2
64.05172	0.9
65.03938	1.9
67.05499	43.9
69.07066	14.5
70.06597	1.8
71.04980	3.6
71.08261	1.6
71.08626	17.1
73.06571	1.6
77.03919	3.7
79.05487	53.9
81.03416	4.2
81.07048	45.7
83.04973	3.3
83.08604	9.1
85.06538	2.8
88.07610	1.3
89.07948	1.3
91.05470	27.6
91.85791	0.8
93.07037	81.2
95.04951	12.8
95.08019	1.7
95.08600	26.6
96.37248	0.9
97.06511	4.1
97.10159	3.6
99.08078	12.8
100.23452	0.8
105.04517	2.8
105.07019	20.8
107.04932	2.7
107.08584	36.0
109.06498	4.4
109.10150	13.9
111.08081	2.6
117.07033	6.7
119.08565	14.2
121.06509	3.8
121.10133	24.1
123.08059	3.0
123.11694	3.3
125.09618	1.7
129.07004	4.2
131.08568	6.7
132.85190	1.0
133.10121	13.3
135.08037	2.8
135.11684	28.8
137.09624	2.3
137.13216	1.5
141.06943	0.9
141.12724	3.1
142.58820	0.7
143.08575	4.0
145.10141	8.6
147.08029	1.9
147.11685	11.9
149.09583	1.5
149.13246	16.0
151.11168	8.6
153.09055	1.0
157.10095	3.0
159.11685	3.0
161.09584	1.8
161.13246	9.3
163.11177	13.7
163.14784	7.3
165.12749	3.2
167.10675	1.3
169.12238	1.4
171.11673	5.1
173.11789	1.1
173.13184	1.3
175.11150	1.5
175.14781	4.1
177.12753	3.0
177.16393	0.9
179.14261	4.1
181.12210	2.1
185.13254	3.3
187.14734	1.0
189.12740	2.9
199.14815	2.3
203.14302	1.2
207.13844	3.4
213.16350	1.1
217.19484	2.3
221.15338	3.4
222.07883	0.8
231.17337	1.0
231.21045	2.4
235.16927	3.3
241.19583	5.6
259.20560	11.7
260.68390	0.9
263.10580	0.8
277.08484	1.1
277.21613	100.0
277.28186	20.1
278.21924	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	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.11580	1.2
51.26583	1.3
51.41446	1.2
53.03937	2.8
54.79585	1.1
55.01859	6.2
55.05509	21.9
55.84737	1.2
57.07059	4.9
64.37244	1.2
65.03940	1.6
67.05499	34.8
69.03416	1.5
69.07062	19.5
69.15254	2.4
69.15659	5.8
71.04980	4.2
71.08623	4.9
77.03890	1.5
79.05042	2.7
79.05488	49.8
81.03420	3.7
81.07050	45.0
83.04950	2.4
83.08607	9.4
85.06516	2.5
91.05470	31.9
91.78858	1.1
93.07039	78.1
93.96220	1.4
95.04961	14.3
95.08597	29.7
95.23020	1.3
96.87627	1.2
97.06513	5.3
97.10187	3.6
98.20773	1.2
98.22710	3.0
99.08083	5.3
105.04487	2.2
105.07018	22.6
106.88500	1.1
107.04903	2.8
107.08585	39.9
108.09059	1.4
109.06506	4.5
109.10134	10.5
111.08084	4.3
117.07010	4.7
119.08570	18.4
121.06489	2.9
121.10136	22.1
123.08043	3.9
123.11684	5.7
125.09621	4.2
129.06993	3.4
131.08566	6.6
133.06461	3.2
133.10107	15.4
135.08044	2.5
135.11681	19.4
137.09622	3.3
137.13240	2.3
143.08545	2.7
145.10092	5.8
147.08032	1.8
147.11662	15.0
149.02382	2.5
149.13242	13.4
151.11186	3.6
157.10085	3.9
159.11699	5.5
161.09592	1.9
161.13235	9.1
163.11174	4.3
163.14903	6.5
165.12753	4.2
165.87206	1.3
170.60985	1.4
171.11687	3.4
173.13333	2.6
175.11174	3.8
175.14804	5.3
177.12758	1.5
177.16263	1.7
179.14314	3.0
185.13275	3.4
189.12799	2.6
189.16446	1.7
193.08585	2.6
193.12259	1.6
199.14915	1.6
207.13797	2.1
217.19429	2.1
221.15347	4.8
231.17336	1.5
231.21080	4.8
235.13333	4.5
235.16934	2.3
241.19521	5.2
249.09059	3.0
249.22108	2.0
259.20618	9.1
267.54575	1.3
277.08603	3.6
277.21622	100.0
278.21686	5.0
296.95425	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	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02370	1.0
51.57995	0.9
53.03943	3.3
55.01872	7.2
55.05506	24.5
55.25386	1.1
57.03424	3.4
57.07069	5.4
65.03944	2.8
67.05499	46.2
69.06708	1.6
69.07063	21.6
69.18524	3.4
69.18948	2.7
71.04994	7.2
71.08625	57.7
77.03918	3.3
79.05487	78.4
80.05831	1.6
81.03417	3.2
81.07050	61.5
82.07387	1.1
83.04975	5.5
83.08615	10.5
85.06546	4.6
91.05471	46.0
91.47675	1.0
92.05782	1.7
93.07037	100.0
94.07355	1.7
95.04954	15.6
95.08599	35.2
97.06519	6.1
97.10169	4.9
98.23562	1.6
99.08087	45.9
101.06001	1.0
103.05494	1.5
105.04515	4.3
105.07019	33.0
106.07373	1.7
107.04950	7.5
107.08585	48.4
109.06517	6.1
109.10147	8.7
111.04445	2.8
111.08065	3.8
111.43253	1.0
113.06004	1.2
117.07010	10.0
119.08570	22.6
121.06499	3.5
121.10132	28.8
123.08080	4.4
123.11694	3.5
127.11140	1.9
129.07004	7.3
131.08554	7.6
133.10117	19.8
134.10495	1.0
135.08055	3.8
135.11685	33.7
136.64662	0.9
137.05977	21.8
137.09598	5.7
137.13260	2.0
139.07564	2.1
139.11194	1.2
141.12738	14.2
143.08563	7.8
145.10112	19.0
147.08061	3.0
147.11668	17.1
149.09642	2.8
149.13248	17.2
151.11176	19.9
151.14886	0.9
153.12753	1.4
157.10126	4.5
159.11653	5.1
161.09567	6.0
161.13258	17.7
163.11171	42.4
163.14803	8.6
164.11566	1.6
165.12769	8.1
167.10718	1.4
167.14328	1.1
169.12202	5.3
171.11682	7.5
173.13255	3.8
175.11159	4.9
175.14798	7.6
177.12746	2.9
177.16339	1.5
178.07739	1.6
179.10670	1.3
179.14291	13.0
185.13283	4.5
189.12788	3.8
193.10274	1.4
193.12199	2.5
193.15935	1.7
194.45743	1.1
195.13818	1.0
199.14828	1.9
203.14304	2.4
203.17851	1.2
207.10321	1.2
207.13852	4.0
217.19543	3.2
219.11699	1.9
221.15256	5.8
231.17375	2.5
231.21133	2.2
235.16934	2.7
241.19516	7.9
249.09087	2.4
249.16338	1.3
259.20569	18.4
260.20892	1.0
262.13562	1.4
277.08511	3.2
277.15793	3.0
277.21606	92.4
277.28159	4.3
278.22061	3.0
280.03223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02348	0.9
53.03938	2.9
54.10966	0.7
55.01867	4.7
55.05259	1.3
55.05508	18.5
57.03431	1.2
57.07070	5.4
65.03928	1.7
67.05499	36.2
69.03432	0.9
69.06712	1.0
69.07062	16.1
69.10120	1.1
69.10517	3.3
71.04974	3.3
71.08631	3.8
73.06578	0.8
77.03908	1.6
79.05486	42.2
79.12835	0.7
81.03428	2.0
81.07049	39.6
83.04973	3.2
83.08607	9.0
85.02902	0.8
85.06539	3.1
91.05476	27.2
93.07036	69.6
94.07378	1.5
95.04956	14.1
95.08599	27.1
97.06519	3.9
97.10162	4.0
98.23464	1.2
99.04370	0.9
99.08103	3.4
101.06040	1.0
105.04509	3.3
105.07019	22.7
107.04943	2.7
107.08584	35.0
108.08939	0.9
109.06497	5.3
109.10133	9.9
111.04436	0.7
111.07348	0.6
111.08092	3.1
111.11631	0.7
113.09658	0.8
117.07011	4.1
119.08563	16.7
120.79121	0.7
121.06500	3.0
121.10133	20.2
123.08073	3.7
123.11711	4.2
124.96923	0.7
125.09612	2.8
129.06979	3.4
131.08543	5.9
133.06473	0.9
133.10107	13.5
134.10387	0.9
135.08055	1.6
135.11681	19.7
137.09619	2.2
137.13234	2.0
139.11163	2.1
141.12737	0.8
142.07755	0.9
142.65976	0.7
143.08553	4.1
143.13094	0.7
145.10117	4.9
147.08070	1.9
147.11668	12.4
149.02341	5.0
149.09596	1.7
149.13242	15.4
150.94325	0.7
151.11172	3.0
151.14709	0.9
153.09114	1.0
157.10118	1.9
159.11687	2.5
161.09592	2.7
161.13232	8.7
162.13606	0.7
163.11165	2.9
163.14781	7.1
165.09210	0.7
165.12712	4.2
167.10666	1.0
171.11694	6.2
173.13263	2.5
174.25362	0.7
175.11185	2.5
175.14798	4.0
177.12758	1.6
177.16435	1.7
179.10706	1.1
179.14268	1.7
181.12206	1.7
185.13229	2.5
189.12692	2.9
193.12253	2.1
193.15843	1.0
195.13864	1.7
199.14868	1.7
203.14282	1.7
207.13852	3.9
215.17969	0.8
217.15886	0.8
217.19463	2.9
221.15379	3.5
231.17462	0.8
231.21077	3.2
235.13298	1.2
235.16905	2.0
241.19441	4.6
249.08932	1.2
249.22174	2.2
253.49541	0.7
259.20517	10.6
277.08490	1.2
277.21600	100.0
278.18057	0.7
278.21912	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	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.70981	1.2
53.03938	2.0
55.01855	2.2
55.05505	16.1
57.07059	4.2
67.05499	37.2
69.06766	1.4
69.07066	16.9
69.81390	1.2
71.04980	1.9
71.08595	1.6
73.31596	1.2
77.03903	2.3
79.05484	79.6
81.07048	38.1
83.04967	2.1
83.08599	7.7
85.06513	2.1
90.57756	1.4
91.05466	27.3
93.07034	100.0
94.07384	1.7
95.04961	11.5
95.08599	25.8
97.06522	3.0
97.10155	3.5
99.04401	1.4
101.05944	1.5
105.04509	4.5
105.07014	17.1
107.08580	48.3
109.06501	3.7
109.10137	12.4
111.08068	1.7
117.07002	3.5
119.08593	11.3
121.10131	41.6
122.10447	1.3
123.11681	3.6
125.09650	1.8
129.06970	1.9
129.46375	1.2
131.08562	5.2
133.10114	13.4
135.07994	1.6
135.10648	2.8
135.11681	51.4
136.11987	1.3
143.08554	1.9
145.10077	3.1
147.11674	5.9
149.02290	2.4
149.09592	2.4
149.13242	21.4
151.11134	1.8
157.10144	1.4
159.11678	3.1
161.13277	4.2
163.11136	1.3
163.14798	7.1
171.11716	2.3
173.13264	2.3
175.11180	1.2
175.14871	1.4
175.88686	1.3
177.12706	1.5
178.07826	1.3
181.12283	2.1
189.12679	1.6
195.13809	2.2
205.06654	1.4
207.13794	2.7
213.16374	3.1
221.15315	2.8
235.13342	1.8
235.16922	4.3
241.19469	2.8
249.09099	1.9
259.20584	2.9
275.41995	1.2
277.08539	2.6
277.21606	65.8
278.22150	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	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.23998	1.1
53.03940	3.4
55.01873	4.9
55.05255	1.4
55.05508	18.9
55.16190	0.9
57.03440	1.9
57.07072	7.9
58.07385	1.8
65.03944	1.7
67.05501	50.5
69.03410	1.2
69.07066	17.4
69.35143	5.2
70.06590	2.5
71.04980	2.9
71.06917	2.4
71.08634	13.8
71.71323	1.2
77.03938	0.9
79.05487	52.9
80.05845	1.2
81.03399	5.8
81.07051	40.6
83.04969	4.0
83.08613	7.7
85.06533	3.5
88.07613	3.2
89.07962	2.7
90.08146	1.2
91.04939	2.1
91.05476	26.2
93.07040	71.0
94.07382	1.6
95.04967	12.8
95.08598	26.6
97.06534	4.8
97.10192	3.4
98.23525	1.1
98.97514	1.0
99.08074	9.0
99.71645	1.0
105.04507	1.9
105.07018	17.9
106.07380	1.8
106.08633	1.3
107.04966	5.5
107.08582	38.6
108.05772	1.2
108.09044	1.4
109.06525	6.0
109.10139	16.1
111.08074	2.5
117.07018	6.9
119.06110	1.1
119.08588	14.2
121.06519	3.4
121.10132	20.3
123.08066	3.9
123.11701	2.8
125.09649	1.6
129.07013	3.4
131.08551	9.3
133.10114	9.5
133.82263	1.0
135.08080	2.3
135.11691	24.9
137.09592	1.3
137.13232	2.4
141.12770	2.2
141.89009	0.9
143.08559	3.8
145.10100	7.9
147.08084	1.8
147.11662	10.4
149.02350	2.9
149.09634	1.3
149.13235	16.2
151.11201	6.6
157.10112	3.1
159.11697	3.9
161.09622	3.1
161.13248	7.3
162.13474	1.6
163.11177	11.1
163.14795	4.5
165.12807	3.4
171.11635	4.7
173.13232	2.1
175.11255	1.4
175.14844	4.3
177.12753	2.5
178.07832	1.3
179.14325	3.7
181.12253	1.8
185.13278	3.4
189.12717	1.9
189.16570	1.1
193.12302	1.1
195.13808	1.6
199.14847	1.5
201.16234	1.1
207.13777	2.1
217.12260	1.0
217.19464	2.6
221.15454	4.6
231.21082	2.0
235.13239	1.7
235.16852	2.4
241.19479	4.6
249.09052	1.9
259.20535	11.8
259.27139	1.0
276.27805	1.3
277.08554	3.5
277.21619	100.0
277.28244	39.7
278.21991	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	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.16833	0.6
53.03937	2.3
55.01869	12.2
55.05507	25.3
57.03428	2.3
57.07067	4.5
58.95738	0.5
59.04998	1.1
65.03925	1.7
67.05499	49.9
68.05837	1.2
69.03434	1.3
69.07059	21.8
70.73618	1.1
71.04996	4.2
71.08625	18.2
72.08953	0.5
77.03924	2.5
79.05486	54.1
81.03411	5.5
81.07049	49.8
82.07394	0.7
83.04968	5.5
83.08614	10.6
85.06544	2.8
85.10179	1.1
91.05470	33.9
92.67914	0.7
93.07035	78.2
94.07343	1.5
95.04964	13.9
95.08598	29.2
95.76086	0.6
97.06521	9.1
97.10152	4.7
99.08088	12.9
103.05482	0.8
105.04499	2.2
105.07020	25.2
105.07729	1.2
107.04952	5.3
107.08584	39.3
108.08945	0.7
109.06505	5.5
109.10144	15.0
111.08072	8.9
113.09642	1.0
117.07009	6.4
119.08574	17.4
121.06497	2.7
121.10136	22.6
123.08049	3.9
123.11690	4.5
125.09636	2.2
127.11209	1.1
128.06252	0.8
129.06976	3.8
131.08556	6.2
133.06476	0.6
133.10115	16.6
135.08029	2.1
135.11685	24.7
136.12044	0.9
137.09595	4.0
137.13249	1.4
139.11131	1.5
141.12753	3.4
143.08546	3.7
145.10121	7.8
147.08069	2.2
147.11667	13.5
149.02283	2.9
149.09598	3.1
149.13239	15.7
151.11143	9.0
151.14703	1.0
153.09096	1.0
153.12730	1.4
156.09282	0.6
157.10088	3.4
159.11684	4.9
161.09598	3.0
161.13239	10.1
163.09927	1.1
163.11172	13.4
163.14819	6.2
165.12733	5.5
167.10582	1.0
169.12256	1.7
171.11661	4.9
173.13225	2.4
175.11159	2.6
175.14845	4.4
177.12740	2.6
177.16364	1.3
179.10678	0.6
179.14294	5.1
181.12201	1.2
185.13193	3.9
189.12729	2.7
189.16435	0.9
191.14441	0.6
193.12227	1.5
193.15906	0.8
195.13820	1.3
199.14818	2.1
203.14325	1.8
207.13725	3.2
217.19504	2.3
221.15309	4.1
231.17487	1.0
231.21080	3.8
235.16891	3.5
241.19499	5.5
249.09073	0.6
249.22055	2.6
259.20544	13.8
270.61496	0.7
277.21594	100.0
278.21936	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	277.2525
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
52.51262	1.4
55.01870	2.5
55.05511	22.7
57.07070	9.0
65.03934	2.8
67.05502	32.7
69.07067	32.8
71.04988	8.1
71.08621	3.3
74.34298	1.3
79.05495	16.3
81.07051	69.0
83.04990	1.9
83.08606	12.1
85.06529	8.5
91.05476	10.0
93.07036	34.6
95.04969	13.1
95.08599	100.0
97.06496	1.5
97.10162	11.8
99.06312	1.4
99.08088	2.2
105.07025	14.4
107.08583	41.4
109.06503	2.7
109.10149	77.0
111.08071	1.6
111.11691	2.9
113.09666	5.9
119.08568	19.4
121.10133	32.4
123.11691	40.5
125.09619	2.8
133.10112	20.3
135.11676	21.7
137.13229	14.5
143.08525	1.3
145.10126	2.6
147.11670	13.0
149.02382	2.1
149.13254	28.8
151.14789	6.7
161.13248	10.8
163.14813	24.4
165.16415	2.0
173.13260	1.8
175.14810	9.5
177.12831	1.8
177.16377	13.1
178.07834	1.9
189.16348	14.0
191.17923	1.7
192.49809	1.5
193.10172	1.5
203.17953	11.5
207.11688	1.4
217.19479	2.2
219.11647	1.8
219.21085	6.9
220.12331	2.4
234.13972	1.8
235.14911	2.1
247.11102	1.6
249.09134	3.0
249.16437	1.8
259.20300	1.6
259.21182	1.8
259.24188	27.4
277.08539	5.3
277.15817	7.8
277.18878	2.2
277.21719	11.0
277.25272	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	278.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01867	0.9
56.05042	0.4
60.05652	1.9
65.03928	1.0
67.05499	2.2
68.05016	3.6
68.99781	2.6
69.00909	1.1
69.03411	1.5
69.05808	9.2
69.07069	0.5
70.06591	10.2
70.52161	0.4
72.05625	1.1
79.05491	2.6
80.05016	6.9
81.03417	0.5
81.07047	0.9
83.06108	0.6
86.03553	3.7
86.06044	0.9
91.05484	6.0
92.04988	0.6
93.03400	0.9
94.06554	1.2
95.02451	0.5
95.04967	4.7
95.06070	1.3
96.04488	10.4
97.06517	1.2
98.03524	3.0
103.05453	1.0
104.04987	0.4
105.03392	2.2
106.06548	1.5
106.07259	0.4
106.70381	0.4
107.04958	1.1
108.04493	4.2
109.06511	1.0
110.06059	1.0
111.05571	1.4
111.07938	0.7
112.08701	2.2
118.06549	1.0
119.04936	4.3
119.05800	0.6
120.04454	2.1
121.02843	0.7
122.06019	2.1
123.00768	0.9
123.04429	4.4
124.05072	1.7
125.05852	0.4
130.06555	0.8
131.04941	1.1
134.06036	2.6
135.04446	0.6
135.05525	0.4
136.07527	0.5
137.05971	7.5
137.07092	1.9
138.05478	1.2
138.06461	0.4
139.00259	2.4
140.07043	0.5
146.05977	0.9
147.04404	5.2
147.05550	1.2
148.03905	3.3
148.07542	0.9
149.02350	2.7
149.06006	0.5
150.05478	1.6
150.11168	0.4
151.03914	2.9
154.06134	0.8
162.05501	4.4
163.03886	2.6
164.07013	0.6
164.08214	0.9
165.05458	14.1
165.06630	1.6
166.05006	1.3
166.99713	0.9
168.01907	0.3
168.06531	0.7
169.01303	1.9
174.05501	4.9
175.03900	8.1
176.03415	9.0
177.01813	1.3
185.00815	1.1
190.04974	9.9
191.03293	2.4
192.06351	0.7
192.07880	0.6
193.04866	2.3
194.04463	3.4
199.05083	0.5
208.05850	1.1
208.07500	0.7
210.08720	3.3
214.06085	0.8
216.07700	1.0
217.06076	1.4
218.04471	43.6
219.02660	2.7
219.04716	1.2
222.08572	0.6
232.07121	2.1
233.05501	0.6
234.08621	0.6
235.07196	0.4
236.05611	5.1
237.03937	0.9
243.03868	0.9
250.08266	1.1
254.06638	0.7
260.06653	7.7
261.04996	1.6
278.07703	100.0
279.08139	2.7
296.08768	17.2
297.08856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2113
Annotation	Ici 118551
Peak:m/z	Relative Intensity
55.01873	0.8
55.05508	2.4
57.07069	2.7
60.04522	1.5
64.35574	0.7
65.03932	0.9
65.92616	0.5
67.05502	7.2
69.03414	0.8
69.07063	24.4
69.73095	2.2
71.08624	1.0
79.05494	5.7
81.07049	10.5
83.04974	2.1
83.08608	1.2
84.08147	1.6
86.09701	100.0
87.10027	0.9
88.11285	0.8
91.04932	1.0
91.05472	8.9
93.07041	21.1
95.04964	4.8
95.08606	4.1
96.04473	1.0
97.06516	1.1
98.22748	0.8
105.07024	14.6
106.07323	0.6
107.04922	1.3
107.08596	7.3
109.06512	12.7
109.10151	2.9
111.08069	2.3
112.07616	0.7
117.07037	0.8
119.08567	3.5
121.06560	0.7
121.10118	1.7
123.08048	2.5
123.11698	2.1
128.10716	12.1
129.07005	0.7
131.08543	3.6
133.06468	1.1
133.10118	23.6
135.08078	0.8
137.09648	0.9
140.14319	1.3
145.10115	0.9
147.11679	11.1
149.02350	5.5
149.09572	2.4
149.13252	2.9
151.07527	1.4
151.11169	42.4
152.11627	0.8
152.14383	0.6
157.10197	0.6
163.11185	0.7
164.10587	0.7
165.12712	2.5
167.14325	4.1
173.05168	0.9
175.11194	3.2
190.07706	0.9
192.13795	3.0
193.12253	4.3
194.15396	0.6
204.13869	0.7
205.10136	1.2
210.14868	5.9
219.05664	6.6
222.14851	4.5
233.09581	1.6
260.20065	5.9
261.09024	2.2
278.09058	0.8
278.17850	1.2
278.21136	39.6
279.09366	10.0
279.21518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.9514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	3.6
60.96068	0.8
69.26170	4.1
73.92822	0.8
76.22335	0.7
98.23439	1.6
103.00662	1.2
104.10745	1.5
114.89314	1.8
116.98640	1.0
118.08646	2.1
121.01682	2.7
133.01607	0.8
136.94022	31.2
145.01653	0.9
147.03346	0.9
149.02332	25.2
151.03889	2.0
157.01767	0.8
163.02705	3.5
167.06398	1.5
175.02718	1.8
180.90417	3.2
192.06018	1.1
196.87933	8.4
198.46272	0.8
219.07065	3.3
220.05426	56.8
221.01843	1.5
221.05550	1.4
237.08182	100.0
238.06438	45.7
243.06900	0.8
250.54428	0.8
255.09041	1.1
260.86746	0.7
261.08231	1.9
278.08109	1.0
278.95355	1.0
279.04770	1.2
279.09195	23.0
280.09045	1.5
296.87988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.9514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	3.6
60.96068	0.8
69.26170	4.1
73.92822	0.8
76.22335	0.7
98.23439	1.6
103.00662	1.2
104.10745	1.5
114.89314	1.8
116.98640	1.0
118.08646	2.1
121.01682	2.7
133.01607	0.8
136.94022	31.2
145.01653	0.9
147.03346	0.9
149.02332	25.2
151.03889	2.0
157.01767	0.8
163.02705	3.5
167.06398	1.5
175.02718	1.8
180.90417	3.2
192.06018	1.1
196.87933	8.4
198.46272	0.8
219.07065	3.3
220.05426	56.8
221.01843	1.5
221.05550	1.4
237.08182	100.0
238.06438	45.7
243.06900	0.8
250.54428	0.8
255.09041	1.1
260.86746	0.7
261.08231	1.9
278.08109	1.0
278.95355	1.0
279.04770	1.2
279.09195	23.0
280.09045	1.5
296.87988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.7
57.07075	10.0
65.03925	1.1
69.01484	1.1
69.03443	0.9
69.11062	1.1
84.08167	1.2
87.83128	1.0
104.10731	2.5
114.89379	1.6
117.10262	4.1
121.01698	1.9
121.02849	4.8
136.94022	17.7
149.02342	71.2
150.02682	2.0
158.92267	1.1
163.02707	2.7
167.03427	1.7
167.06477	1.3
180.90443	8.0
186.72726	0.9
192.05905	2.0
196.88007	8.0
219.06955	2.0
220.05429	63.4
221.01909	2.3
221.05664	1.7
237.08199	100.0
238.06436	46.7
239.06630	3.1
255.04152	1.1
255.09233	2.1
261.08063	1.6
279.09079	20.1
279.15628	2.8
280.09402	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	279.0935
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
51.02396	0.4
53.03942	0.6
55.05495	0.4
57.07061	1.1
59.55782	0.2
67.05512	0.6
69.03419	0.3
69.07048	0.8
71.19057	0.4
77.03952	0.9
79.05509	0.5
81.07039	1.1
86.09705	2.3
87.10005	0.4
91.05507	0.4
93.07030	0.8
95.00496	1.0
95.04961	2.4
95.08586	1.0
103.02158	0.4
105.04507	0.9
105.07011	0.8
107.08573	0.6
108.08978	0.3
109.06504	0.5
109.10161	0.7
117.06963	0.3
119.08544	0.3
121.02887	0.5
121.10115	0.4
126.66951	0.2
128.06197	0.8
129.06956	0.9
131.08577	0.3
133.01964	0.4
133.03244	0.3
133.10103	0.9
134.02353	0.2
141.00978	1.0
147.11725	0.3
149.02333	10.6
149.09622	0.2
150.92801	0.3
151.11165	1.1
152.11482	0.5
154.07785	0.8
171.03569	2.2
173.05153	7.4
183.03566	1.0
183.50800	0.2
190.07788	0.4
201.04628	14.1
205.10124	0.3
219.05682	70.7
220.06032	2.0
233.09636	0.9
250.07742	0.2
261.09109	1.0
278.21326	0.5
279.09308	100.0
280.09671	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	279.1014
Annotation	DIHYDRO TANSHINONE
Peak:m/z	Relative Intensity
57.07065	4.5
59.04986	1.4
59.48725	1.2
67.05505	3.6
69.88706	3.9
79.05471	1.5
79.30875	1.2
81.07039	2.7
82.18948	1.1
87.46058	1.1
91.05489	1.5
93.07043	1.5
95.08606	3.0
104.99271	2.6
105.07087	1.5
106.27274	1.2
109.10146	1.2
117.05505	2.5
118.67989	1.0
121.02806	1.4
138.61261	1.0
141.06050	1.4
141.07033	4.0
149.02335	36.1
155.08571	1.8
159.08090	1.8
165.07054	2.5
166.07785	3.2
169.06453	19.3
169.07709	2.4
175.09421	1.1
179.08621	3.7
181.10080	1.5
189.06979	3.9
190.06029	1.5
190.07759	25.7
190.09384	1.7
191.08447	1.1
203.08549	3.1
204.09296	1.5
204.50659	1.3
205.10112	43.1
206.10493	1.9
209.09604	8.0
215.08502	3.1
218.07275	9.7
219.05742	4.0
219.07861	1.2
223.07550	2.5
232.08800	1.3
233.09596	57.3
234.10042	1.5
237.09087	5.6
246.06841	2.1
251.07037	3.4
251.10716	3.3
261.09091	57.8
262.09671	2.2
278.24774	1.2
279.10123	100.0
279.17667	3.2
279.23260	2.4
280.10468	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	279.1017
Annotation	H-Glu-Met-OH
Peak:m/z	Relative Intensity
54.81926	0.6
55.01862	1.0
55.05491	2.5
57.07071	5.4
67.05500	8.5
68.57700	0.6
69.07048	3.1
69.18266	3.5
71.04992	0.8
74.29809	0.6
76.59518	0.7
79.05479	4.5
81.07054	7.4
83.08607	2.7
91.05459	1.6
93.07045	4.0
95.04988	0.7
95.08608	5.8
95.65221	0.6
97.06495	0.7
97.10149	1.5
99.11581	0.8
104.99225	1.3
105.07011	1.0
107.08585	2.7
109.06485	0.6
109.10146	2.3
116.82518	0.6
119.08573	0.8
121.02832	0.9
121.10130	3.6
123.11654	1.4
125.15305	0.6
127.11233	0.8
133.10091	1.0
134.88440	0.7
135.11665	2.8
137.09581	0.9
149.02341	15.0
149.13197	1.2
163.14868	0.8
165.06950	1.4
167.03468	1.0
167.14293	2.1
169.06442	1.4
178.07674	0.8
179.08592	2.8
189.06984	9.2
190.07765	43.2
191.08174	1.5
202.07848	1.7
203.08572	3.0
204.09341	3.5
205.10115	45.7
206.10449	1.2
209.09630	1.9
215.08606	3.3
218.07254	13.8
219.05769	4.4
232.08788	1.0
233.09587	71.8
233.22678	2.0
234.09932	3.3
243.21033	0.8
246.06714	2.0
261.09094	100.0
261.22079	1.7
262.09430	4.6
279.02478	0.7
279.09985	15.3
279.23148	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43999	1.8
53.03937	2.7
55.01870	2.7
55.05503	2.8
57.03436	9.5
57.07075	12.8
64.60054	1.8
69.03423	32.8
69.69446	6.3
71.01360	3.8
71.04983	19.8
73.02908	10.6
74.07195	1.7
75.04489	7.5
77.03946	2.2
79.05514	2.8
81.03407	2.3
82.38477	2.0
83.04978	6.2
85.02899	63.9
87.04436	2.3
91.05478	23.0
93.07040	53.2
95.01302	3.9
95.04978	11.4
97.02886	16.1
99.04456	3.5
100.17463	1.6
101.06019	1.8
103.05466	20.2
105.07030	5.7
107.04955	4.4
109.06562	2.7
111.04438	24.3
115.03932	11.4
115.05496	2.7
117.06960	3.5
119.04933	4.1
121.02883	6.2
121.06500	88.8
129.05484	11.4
129.07005	3.4
131.04930	37.7
131.08617	2.5
133.06491	4.4
135.08054	17.7
137.05988	4.4
138.06737	3.7
139.03899	3.3
147.04431	4.4
147.06541	5.6
149.02336	100.0
149.05963	29.0
151.07520	22.8
155.08543	2.7
157.05142	2.2
157.06508	4.7
159.08078	3.1
160.05220	3.8
161.05978	6.7
163.03961	1.9
163.07530	70.8
164.07983	2.4
165.09175	5.5
171.06506	3.1
173.05948	1.9
174.06767	3.1
175.03856	2.4
175.07544	7.8
179.07027	4.6
181.06966	3.5
181.08586	73.7
183.08055	2.2
185.06075	3.0
187.07492	2.6
189.09093	5.0
193.08577	3.5
201.09106	5.4
203.07048	7.9
205.08609	9.2
205.57959	1.7
215.10612	3.5
219.10193	2.4
221.08092	10.4
223.07635	2.6
225.07474	2.1
243.10208	3.4
251.07033	3.4
261.11346	17.2
261.14075	1.8
261.15207	2.4
279.06305	1.8
279.09515	2.9
279.12296	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	279.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01877	0.9
55.05514	2.3
57.07077	11.0
58.99577	1.2
65.03950	2.4
68.01197	1.0
69.03427	18.9
71.02805	1.1
71.04998	1.3
76.05506	0.9
79.05495	3.1
81.07040	1.0
85.02882	1.7
87.04473	1.9
89.38577	1.1
91.05479	11.8
93.07040	34.7
93.35545	1.0
95.04970	6.8
98.97567	1.3
101.05106	1.0
103.05470	12.8
105.04478	1.2
105.07040	3.9
107.04931	2.8
111.04441	13.1
115.05457	1.5
116.01685	3.4
117.07026	2.7
117.43568	1.0
119.04934	2.2
121.02872	5.5
121.06500	53.7
122.06838	1.4
128.06216	1.2
129.06947	1.9
131.04919	26.0
133.06456	2.1
135.08032	10.8
137.05948	4.0
138.05258	4.9
138.06769	2.3
139.07474	1.2
145.06496	2.0
147.04359	2.8
149.02332	100.0
149.05971	19.9
150.02669	1.5
151.07545	13.1
154.05006	1.6
157.06421	2.4
161.05943	1.4
162.02177	5.0
163.07530	48.5
164.07982	1.1
165.09093	4.9
167.03354	2.4
174.06819	1.3
175.07550	3.4
177.05431	1.1
177.09143	1.4
179.07021	4.7
180.93257	1.0
181.08585	64.3
182.07755	6.0
183.08061	1.6
187.07484	1.2
189.05505	1.1
189.09125	2.0
190.07791	1.3
201.09090	1.3
203.07040	4.2
205.08601	4.1
215.10654	1.6
219.05827	1.7
221.08153	3.5
233.09657	1.1
233.11707	2.0
243.10388	1.4
255.39296	0.9
261.09021	1.5
261.11255	14.8
262.11185	1.7
267.81714	1.1
279.09912	2.5
279.13098	19.1
279.17859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1227
Annotation	11-Hydroxy-12-methoxydihydrokavain
Peak:m/z	Relative Intensity
51.30830	1.0
57.03425	1.3
60.11168	1.0
64.49126	0.9
69.03063	2.2
69.03425	34.1
69.52608	3.1
69.53016	2.3
76.82433	1.2
77.03925	3.2
79.05494	2.8
91.05473	16.8
91.41872	1.1
93.07040	55.6
95.04974	7.2
98.22754	2.4
99.04496	1.2
103.05450	18.7
105.04499	2.0
105.07027	4.4
107.04930	2.7
111.04445	16.0
115.05405	3.1
117.07009	2.8
119.04932	3.4
120.05701	1.4
121.06496	82.4
122.06850	1.3
125.77920	1.1
128.06165	1.8
129.07008	3.5
131.04915	32.2
132.05316	1.7
133.06497	2.7
135.08040	19.1
136.05150	1.6
137.05959	3.0
138.06760	4.4
141.06987	1.5
143.04948	1.9
145.06462	3.1
149.02315	2.6
149.05965	31.3
151.07524	17.9
157.06493	2.4
158.07335	1.7
160.05174	2.8
161.05959	3.8
163.07529	66.0
164.08014	2.4
165.09097	4.4
173.09702	1.1
173.78133	1.1
174.06801	1.9
175.07523	5.3
177.09097	2.6
179.07033	5.9
181.08585	100.0
182.09053	1.2
183.08052	1.5
189.03241	1.1
189.05284	1.3
189.09070	3.8
193.08633	2.7
201.09134	2.7
203.07016	4.9
205.08611	5.1
215.10669	1.6
221.05975	1.0
221.07941	5.7
233.11797	1.4
235.09683	1.2
243.10123	2.6
261.11209	19.3
279.12167	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	279.1375
Annotation	(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Peak:m/z	Relative Intensity
55.05510	40.3
57.07071	4.9
58.99583	18.6
61.01152	1.0
70.58806	1.5
71.04988	0.7
71.19366	0.7
72.08134	2.2
73.01137	1.9
73.02852	0.8
75.02732	0.7
76.02237	5.4
76.03992	3.0
79.05479	0.8
81.07045	1.4
83.08617	30.2
84.04499	0.8
84.08157	0.6
86.09674	0.7
86.99049	14.9
88.02221	4.6
89.06048	0.9
92.04852	0.7
92.40202	0.6
98.97613	0.9
101.09637	1.6
107.08552	1.2
113.12454	0.7
116.01676	62.3
116.98552	0.9
121.02850	2.0
130.04973	0.9
144.01138	26.1
146.06009	0.9
149.02335	44.8
156.08047	1.5
158.99644	0.7
159.08380	7.8
162.02199	100.0
163.02560	1.9
165.88332	0.7
167.03365	0.9
177.00667	0.9
183.09187	0.8
188.07063	1.6
229.09682	1.2
233.09622	1.7
233.12904	0.9
244.10228	1.1
261.09088	2.0
262.11102	18.4
279.09518	1.3
279.13690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
54.03527	0.2
55.05519	0.2
57.07072	1.9
61.29638	0.2
69.07055	0.7
70.06557	0.2
70.98313	0.2
70.98675	0.3
86.09699	8.1
87.04441	0.3
91.05481	0.7
93.07029	2.1
95.04965	0.4
98.97582	0.5
103.05460	6.0
105.07018	0.3
109.41833	0.2
112.03161	0.2
120.01154	0.3
120.08097	100.0
121.02857	1.0
121.08427	1.7
121.42815	0.2
125.64421	0.2
127.01553	5.6
132.10182	2.8
138.05325	0.3
149.02335	12.7
149.06006	0.3
150.02751	0.2
150.88655	0.3
153.03104	7.6
154.03477	0.3
154.04802	0.3
167.03371	0.3
182.07880	0.6
188.16444	0.3
190.07835	0.6
190.42223	0.3
205.10155	0.7
213.82808	0.2
216.13754	0.3
220.61446	0.2
233.07852	0.2
233.09683	1.9
233.16473	2.4
261.09122	2.1
279.09998	0.9
279.13239	1.3
279.17035	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	279.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44131	0.5
57.07066	1.0
61.84081	0.5
69.07040	0.5
69.54617	1.6
79.05514	0.5
86.09700	100.0
87.10029	0.8
103.05457	1.1
120.08096	39.3
121.08419	0.7
132.10207	0.6
149.02328	5.5
149.06044	0.6
166.08623	9.9
233.09676	0.6
233.16466	0.6
261.08954	0.6
279.17001	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	279.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05035	0.2
57.05803	0.5
57.07075	2.3
58.06623	0.3
66.61433	0.3
67.05490	0.4
69.07064	12.3
69.08868	1.4
69.09273	0.5
73.05668	0.2
78.17337	0.3
79.05487	0.3
79.62327	0.2
86.09700	100.0
87.10040	0.9
91.05484	0.4
93.07044	0.3
98.22752	0.5
101.90927	0.2
103.05460	0.6
112.78295	0.3
120.08098	19.2
121.02840	1.1
121.03951	0.3
121.08453	0.5
124.03970	0.5
131.04919	0.3
131.08571	0.3
132.10191	0.4
144.04805	0.3
149.02330	18.1
150.02716	0.4
163.03885	0.6
166.08626	5.6
167.03246	0.3
167.72495	0.3
190.07933	0.4
199.86327	0.3
219.05725	0.3
233.09631	0.4
233.16418	1.0
261.09125	0.3
279.10150	1.3
279.17087	2.0
280.15338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
53.33913	0.7
53.51030	0.5
56.87976	0.5
57.07072	4.4
65.03944	0.7
69.07066	1.3
70.06599	0.7
71.40791	0.7
76.10060	0.6
79.05496	1.6
82.89192	0.6
84.77666	0.6
86.09697	100.0
91.05480	2.3
93.07036	1.9
95.04981	0.7
98.97570	1.2
103.05441	4.1
105.07024	1.1
107.04938	0.7
114.10661	0.5
116.98623	0.6
120.08092	78.9
121.02859	5.2
121.08384	1.3
123.08099	0.8
127.24857	0.6
132.10173	2.1
133.06499	0.6
149.02325	36.3
149.05901	0.7
149.46185	0.6
151.03845	0.9
151.07526	1.7
153.05484	3.5
166.08617	9.0
179.06941	0.7
205.08582	0.6
211.09563	1.0
218.07239	0.8
233.09537	1.9
233.16447	1.8
235.48346	0.6
247.05959	1.3
261.09067	2.2
265.07004	1.7
279.09622	2.5
279.16925	3.8
279.21484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.8
57.07062	2.1
59.81923	0.5
62.39362	0.5
67.05497	6.8
69.07058	3.7
72.12946	0.5
79.05485	3.9
81.07051	10.5
82.52809	0.5
83.08616	1.8
86.95654	0.5
91.05473	3.6
93.07045	3.9
95.04951	0.9
95.08599	8.1
97.10165	1.0
99.76077	0.5
105.07032	7.8
107.08586	4.9
109.06523	0.5
109.10149	3.3
117.07005	1.7
119.08566	5.9
121.10137	2.2
123.11675	1.3
128.06213	1.0
129.07002	3.2
131.08551	4.7
133.10143	3.3
135.11668	1.5
141.06999	1.3
142.07748	2.0
143.08559	5.9
145.10129	4.7
147.11655	2.1
149.02325	6.5
149.13214	1.0
153.07074	1.0
154.07739	1.6
155.08533	8.3
156.09256	1.8
157.10112	7.5
159.11710	3.4
161.13222	0.9
165.07027	2.9
166.07785	1.5
167.08575	4.9
168.09299	2.2
169.10112	12.3
170.10780	0.8
171.11690	6.4
173.13219	1.4
179.08554	5.2
180.09300	3.3
181.10104	12.4
182.10814	2.5
183.11674	9.6
184.12029	0.7
185.13231	4.9
187.14731	0.7
193.10121	4.3
194.10892	5.1
195.11674	17.3
196.12119	0.9
197.13232	7.9
198.13757	0.5
199.14815	1.9
205.10089	1.0
207.11664	2.4
208.12486	3.1
209.13234	21.3
210.13907	2.2
211.14781	4.4
219.05620	1.3
220.12512	0.7
221.13185	2.3
222.13951	0.9
223.14793	22.2
224.15363	2.1
225.16515	1.0
233.09717	0.9
235.14876	3.0
236.15454	1.6
237.16341	11.5
238.17049	1.0
242.12737	0.5
249.16330	2.2
250.17059	1.4
251.17947	3.8
261.09030	1.0
264.18677	2.1
279.09540	1.8
279.21027	100.0
280.21396	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2312
Annotation	Hedaol C
Peak:m/z	Relative Intensity
53.03941	1.2
55.05257	0.7
55.05503	9.9
57.03430	1.2
57.07058	3.5
57.07287	0.4
65.03933	3.3
67.05497	100.0
68.05835	0.9
69.03416	2.1
69.07059	11.8
71.04981	1.8
71.08637	0.6
77.03899	0.6
79.05484	18.6
79.05948	0.9
81.07048	96.9
82.07380	1.0
83.04966	1.6
83.08614	5.7
85.06528	2.3
87.22686	0.5
91.05473	13.8
93.06454	0.8
93.07037	16.5
95.04951	3.1
95.08595	83.1
96.08929	0.7
97.06508	2.5
97.10165	3.0
99.08060	1.1
103.05464	1.3
105.03385	0.8
105.07018	15.2
107.04950	1.5
107.08582	12.6
109.06503	1.9
109.10143	47.3
110.10492	1.3
111.08089	1.1
111.11690	1.0
113.09638	0.6
113.12452	0.5
115.05453	1.5
117.06179	0.7
117.07007	11.9
119.08566	11.7
121.06496	2.2
121.10139	9.2
123.08056	2.2
123.11694	23.5
125.09649	1.0
128.06197	0.6
129.06952	2.8
129.62659	0.5
130.07756	1.0
131.04919	0.8
131.08548	24.4
133.06485	0.9
133.10118	6.5
134.10526	0.6
135.08012	2.3
135.11667	4.8
137.09601	1.2
137.13242	8.8
141.06973	1.5
142.07773	1.7
143.08575	3.2
144.09306	1.4
145.06447	1.4
145.10107	12.3
147.08034	0.7
147.11642	4.2
149.02322	9.8
149.06046	0.6
149.09627	2.4
149.13225	4.0
151.11160	1.1
151.14815	2.6
153.06989	0.8
153.09077	1.1
155.08522	2.0
155.13509	0.6
156.09283	0.9
157.10121	5.1
158.10875	2.9
159.08020	1.4
159.11678	7.2
161.09596	1.3
161.13196	2.7
163.07582	0.6
163.11180	2.5
163.14798	3.4
165.12689	0.6
165.16380	1.2
167.10544	0.7
168.09337	2.9
171.11639	1.8
173.09535	0.8
173.13237	30.9
174.13608	1.1
175.11143	2.6
175.14766	0.9
177.12759	2.9
177.16359	1.0
179.08588	0.6
179.14305	1.1
181.10034	0.7
181.12309	1.0
183.11678	3.9
187.14812	3.1
189.12712	4.2
190.07721	1.3
191.14291	4.2
195.11781	0.6
195.13768	2.3
201.04581	0.5
201.12712	10.2
205.10127	0.9
205.15997	1.0
209.15305	2.7
219.05701	1.4
219.13776	13.5
219.17149	0.6
223.16931	2.8
233.09610	1.8
237.12621	0.8
237.14774	6.9
237.18462	1.1
243.21049	2.0
261.09155	2.5
261.22064	4.1
279.09839	3.2
279.15530	3.8
279.23157	36.0
280.23633	0.9
280.26343	1.6
303.05045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.02388	0.5
53.03944	0.7
54.40646	0.4
55.01850	0.5
55.05504	9.0
57.03431	1.6
57.07073	2.5
65.03941	3.2
67.05497	100.0
69.07059	9.6
69.07436	0.4
70.05569	1.4
71.04974	1.7
71.08653	0.6
79.05484	13.4
81.07047	98.2
82.07382	1.2
83.04975	1.1
83.08611	5.9
85.06537	1.3
91.05478	4.8
93.07038	12.8
95.04937	1.0
95.08595	77.1
96.08913	1.3
97.06530	1.3
97.10138	3.4
105.06994	3.6
107.08582	8.6
109.06508	0.9
109.10141	46.3
110.10510	0.6
111.11706	1.0
115.07564	0.7
117.07006	1.4
119.08576	3.6
121.06479	0.6
121.10120	8.3
123.08079	1.0
123.11694	24.7
125.09650	0.6
127.07639	0.5
131.08563	4.5
133.10100	3.0
135.08057	0.9
135.11681	5.5
137.09636	0.9
137.13235	9.6
141.09111	0.9
145.10092	2.5
146.27664	0.4
147.11700	2.3
149.02321	4.1
149.09615	1.5
149.13251	2.9
151.11191	1.1
151.14801	2.5
153.09103	0.9
159.11673	2.7
161.13257	1.6
163.11166	1.3
163.14804	2.1
165.12785	1.3
165.16409	0.6
167.10632	0.9
173.13208	2.9
177.12796	1.3
177.16371	0.8
179.14334	0.6
181.12239	1.5
187.14799	2.4
191.14308	1.3
195.13809	2.1
201.16541	0.5
205.15872	1.2
209.15373	3.0
215.17914	0.5
219.21010	0.8
223.16882	3.1
232.75871	0.4
237.18437	1.0
243.21028	2.3
261.09131	0.5
261.22083	3.8
279.09488	1.3
279.20010	1.6
279.23157	34.7
280.23532	1.1
301.46500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2629
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.03942	1.2
55.05509	16.5
56.05029	7.3
56.32088	0.5
57.03424	0.6
57.07070	3.6
58.02945	1.9
60.04501	2.0
60.84672	0.5
64.09068	0.6
65.03922	1.7
67.04263	0.9
67.05499	19.9
68.05007	2.9
69.06715	0.9
69.07065	12.5
71.08627	1.9
72.04507	1.5
74.06084	0.7
79.05041	1.0
79.05488	12.7
80.05010	2.9
81.03419	0.7
81.07051	16.5
82.06566	8.9
83.04979	1.2
83.07370	0.8
83.08621	6.8
84.08135	0.9
85.10179	1.0
86.06055	2.7
91.05474	8.0
93.07028	8.3
94.06568	3.6
95.04950	2.3
95.07336	0.7
95.08598	14.0
96.08124	2.5
97.06521	1.1
97.10171	3.6
98.06051	2.1
100.07619	2.8
101.15064	0.5
105.04554	0.7
105.07024	3.7
107.08574	3.5
108.08100	1.1
109.06499	0.6
109.10154	4.5
111.11711	0.7
111.36932	0.5
112.07574	1.1
114.09109	0.7
119.08604	3.2
120.08114	0.7
121.10166	3.1
122.09668	1.1
123.11697	1.4
133.10124	2.5
135.11723	1.5
149.02313	1.3
149.13249	0.6
150.02676	1.8
245.22382	0.8
250.25269	7.0
262.25302	4.8
280.26328	100.0
281.26569	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	281.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.2
51.02381	1.1
53.03945	24.9
54.04279	0.2
65.03950	0.4
68.99797	0.2
69.59030	0.6
72.66816	0.2
81.03414	70.7
82.03738	0.9
90.44271	0.1
91.05479	0.5
93.03417	0.3
94.08031	0.2
98.22749	0.3
103.05476	0.6
121.02871	0.9
131.04930	1.1
134.67242	0.1
145.92697	0.2
149.02333	7.1
150.02693	0.2
167.03395	16.7
168.03764	0.3
176.04709	0.2
177.01796	5.5
179.08524	0.3
195.02878	100.0
196.03253	2.2
207.08116	0.2
235.07362	0.3
253.08598	2.5
263.07111	0.2
266.99936	0.2
281.08066	6.7
281.14978	0.2
281.18887	0.3
282.08179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
53.03944	23.9
61.50912	0.2
65.03931	0.7
68.99781	0.2
69.72809	0.2
69.73170	0.6
70.31865	0.2
81.03411	63.0
82.03743	0.7
97.17035	0.2
103.05475	0.5
121.02863	0.6
131.04085	0.2
131.04893	1.1
132.83412	0.2
149.02332	7.4
167.03389	16.1
168.03723	0.4
177.01794	6.6
177.90854	0.2
178.02155	0.3
178.07774	0.2
179.08650	0.3
180.25874	0.2
195.02872	100.0
196.03249	1.9
197.03459	0.2
222.67220	0.2
253.08569	2.8
263.06946	0.4
281.08057	7.1
282.08603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17615	0.2
55.05524	0.3
56.05025	0.8
57.07075	0.3
71.41158	0.2
74.06074	1.7
81.03409	0.4
92.02482	0.2
94.04060	0.5
98.97589	0.4
102.05527	1.1
105.07039	0.5
107.04875	0.3
116.98627	0.3
117.69965	0.3
119.03538	5.3
120.06571	5.6
121.06540	0.2
126.01147	0.2
129.06995	0.2
131.04976	0.3
133.06462	0.3
133.10097	0.2
136.06180	100.0
137.04596	3.3
137.06598	1.2
143.08539	0.3
147.04410	0.3
150.02692	0.5
151.03882	0.9
161.00639	0.2
161.05972	0.4
162.04103	54.6
163.04439	0.8
179.78207	0.2
189.09088	0.4
191.01735	0.2
193.03156	0.6
221.08064	0.2
235.09409	0.2
236.07100	0.3
237.02171	0.2
263.09192	0.3
277.00830	0.5
281.04797	0.4
281.09921	9.7
281.14410	1.4
283.03210	0.2
299.06140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.102
Annotation	Xestodecalactone C
Peak:m/z	Relative Intensity
55.01866	12.3
56.49591	2.2
57.03429	8.3
61.02919	3.9
67.05518	3.4
69.03425	15.4
69.39973	9.8
69.92965	2.1
71.01336	4.0
71.03875	2.4
73.02910	8.7
77.03913	3.3
79.05491	9.6
81.03423	17.8
83.04992	4.0
85.02906	20.0
87.04468	3.9
90.57493	2.4
91.05477	24.9
93.07013	11.8
95.04963	10.6
97.02261	4.9
97.02892	100.0
98.22700	5.1
99.04472	3.8
103.03961	3.9
103.05459	16.7
105.03390	2.9
105.07038	14.0
107.04951	7.5
109.02884	4.3
111.04440	9.3
115.05453	16.6
116.98582	2.7
117.07008	19.5
119.04917	9.0
119.08571	3.1
121.06492	23.1
123.04427	45.7
128.06207	31.2
129.07001	40.7
131.04926	24.1
131.08527	4.7
133.06500	17.7
133.44044	2.2
135.04408	5.5
136.05220	2.9
137.05960	55.4
141.06976	10.6
142.93741	2.4
143.04918	12.4
143.08551	14.5
144.05711	3.4
145.06491	33.7
147.04411	31.4
147.08023	5.4
149.05977	55.7
151.03944	11.9
151.07487	12.2
152.06201	4.9
153.05695	3.2
153.06984	20.9
155.04900	3.6
155.06058	4.5
157.06477	40.8
157.07668	3.5
159.04451	4.6
159.08064	7.1
160.05203	9.4
161.05974	41.4
163.03899	12.3
163.07520	12.6
165.05464	77.9
167.07048	18.5
169.06470	10.8
171.08047	23.3
173.05968	36.4
174.06732	8.7
175.07535	63.6
175.09074	2.4
177.05466	19.7
177.09035	3.1
179.07025	9.7
181.04999	5.0
181.06487	17.8
184.05161	4.3
185.05957	9.9
187.07541	19.6
189.05437	32.1
189.09079	20.1
190.06264	3.3
191.07036	45.9
192.07855	3.1
193.05029	4.4
193.08493	3.2
195.06511	7.5
197.05942	3.5
199.07506	35.5
201.05460	7.8
202.06061	4.0
203.07005	26.7
205.08644	5.7
207.06520	13.4
209.05975	4.9
209.08034	3.7
215.07031	12.4
217.08635	36.5
219.06554	8.0
227.07013	22.8
233.08060	26.3
235.09607	6.7
245.08096	88.4
251.09082	20.5
263.09122	74.6
281.10162	69.0
281.15741	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	281.1174
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
53.03924	0.7
55.05511	0.8
58.93218	0.7
68.22768	0.7
69.03417	0.9
70.50269	1.2
70.50587	1.1
81.07053	0.9
98.97581	3.8
104.99300	1.1
107.08591	0.9
116.98611	2.4
121.02942	0.8
134.99672	1.9
141.07076	0.9
146.91939	0.7
152.26942	0.8
165.07045	1.5
169.06447	4.2
169.07687	0.9
178.01346	1.7
178.07787	2.9
179.08562	3.8
179.30528	0.7
189.06934	1.1
190.07773	1.4
191.08496	6.4
192.09334	35.5
193.10085	4.6
195.04121	1.2
202.07777	12.4
204.09343	1.3
205.06497	2.3
206.07240	2.3
206.10982	0.9
207.08119	4.8
207.11658	14.9
210.99773	0.8
216.09276	0.8
217.10117	8.4
217.38251	1.0
218.07166	1.0
219.07948	3.6
220.08823	16.8
221.05952	1.3
221.09552	5.8
228.77049	0.8
235.11166	100.0
236.11523	5.3
245.09642	1.3
248.08224	2.7
251.07536	0.8
253.08336	0.9
253.12367	0.9
258.99753	1.9
263.10669	48.2
264.11078	2.3
266.09238	0.8
277.00894	1.8
279.31528	0.7
281.03958	1.3
281.11725	38.3
282.07617	1.4
282.11957	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82624	1.0
56.96556	2.6
69.74742	2.8
70.06593	100.0
98.22771	2.0
98.97597	1.6
100.03633	1.4
112.08731	15.4
114.05172	4.7
115.53726	1.1
116.98689	1.1
118.04637	1.6
119.06078	2.1
122.84401	1.1
124.03712	2.1
132.06219	10.4
135.03967	1.2
140.06674	1.9
143.06659	1.5
144.05063	2.4
150.07779	20.7
152.06694	22.2
153.05101	4.2
158.01286	3.7
158.07793	1.9
161.07797	1.2
162.06142	1.6
167.07755	1.0
168.06181	12.0
170.07759	49.6
171.06148	5.7
171.07936	1.7
172.09317	4.1
174.97652	4.5
176.02287	1.6
176.07825	2.6
186.07263	12.4
188.08813	58.1
189.08853	1.6
190.10403	3.2
190.11931	1.0
192.98700	3.7
194.08887	14.7
195.09798	2.2
200.97360	1.0
203.11369	1.1
210.08450	2.5
210.10863	2.6
211.09235	2.2
212.09933	20.4
213.10826	3.1
215.12434	2.5
216.10220	1.1
216.98706	1.3
219.10896	1.4
221.12448	19.3
222.05101	2.0
222.10869	1.8
228.11873	1.4
229.10429	1.6
234.99686	2.7
237.11967	19.8
239.08070	2.0
239.13541	43.4
240.00060	1.2
240.06264	2.5
240.11765	1.2
245.13651	1.6
246.12012	2.3
255.13060	13.2
257.14603	30.4
258.01288	1.8
263.14670	54.8
264.15048	1.3
281.15720	23.7
282.01443	1.4
282.11847	1.2
300.02484	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	281.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
60.05632	0.7
65.03922	0.4
67.05486	0.6
69.36584	1.4
70.06583	0.5
72.08156	4.4
73.04023	0.3
76.62542	0.3
83.37198	0.2
86.92936	0.2
89.10799	0.3
95.04948	0.3
97.07647	1.1
98.06025	0.9
98.22696	0.6
98.97587	0.7
108.02088	0.8
114.10291	6.9
114.33096	0.3
115.08684	5.5
116.98588	0.4
117.16853	0.2
118.56278	0.3
120.08056	0.3
123.07929	0.6
125.05997	0.6
136.06128	0.4
141.05457	1.2
150.02725	0.3
151.03902	100.0
151.04953	4.9
152.04228	1.5
206.10527	1.4
221.12849	8.4
222.11243	10.5
223.11603	0.3
238.10089	0.4
239.13931	0.9
264.10596	0.6
264.13434	11.5
273.83575	0.2
277.00803	0.5
281.16077	43.5
282.16312	0.8
299.06061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.4
52.21961	1.0
53.03937	6.1
55.01872	5.8
55.05503	34.4
57.03429	34.7
57.07067	2.0
60.22582	0.9
61.36889	0.9
65.03943	5.4
65.04226	0.9
65.53002	1.1
67.05497	89.1
68.05831	1.0
69.03424	2.6
69.07060	18.6
71.04974	2.8
73.06551	2.2
77.03905	3.0
77.36204	1.1
79.05483	100.0
80.05810	1.6
81.03418	12.7
81.07049	59.0
82.07389	1.4
83.04971	33.5
83.08607	10.8
85.06516	3.6
91.05470	64.9
93.07033	67.5
94.07378	1.8
95.04958	33.4
95.08597	38.7
97.06511	6.3
97.10168	5.1
98.97572	2.3
99.08089	1.2
103.05454	1.7
105.04520	4.9
105.07016	46.6
107.04946	6.4
107.08578	20.6
109.06501	9.7
109.10126	8.1
111.08033	2.2
115.05432	1.6
116.98614	1.6
117.06976	9.2
119.08565	29.4
121.02894	1.1
121.06491	3.5
121.10155	5.2
123.08058	8.1
125.09595	1.0
126.01086	1.9
127.01552	11.4
127.07509	1.7
128.06184	3.2
129.06999	17.7
130.30748	1.0
131.08603	2.3
133.06500	1.9
133.10114	13.8
135.08029	2.3
135.11679	3.3
137.09639	1.4
143.08533	8.2
145.10114	12.8
147.08002	3.3
147.11665	37.0
151.07552	1.3
161.09555	4.5
161.13249	13.0
163.11079	2.5
169.10173	1.3
169.93732	1.1
171.11673	26.0
177.02187	1.4
189.12735	8.5
207.13753	9.7
235.11179	1.6
248.94798	1.3
258.99744	1.9
275.20975	1.1
277.00842	2.0
281.08734	1.2
281.11945	6.8
281.14868	1.8
281.17499	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.1
55.01864	4.3
55.05510	33.6
56.96550	1.8
57.03437	29.0
57.07050	2.1
57.13229	1.4
61.03770	1.4
65.03934	4.4
67.05500	81.7
69.03435	1.6
69.07059	19.3
69.20061	7.3
70.67287	1.4
71.04981	6.5
72.08110	2.5
73.06538	2.4
77.03955	2.0
79.05489	100.0
80.12341	1.5
81.03408	10.6
81.07050	62.5
83.04475	1.7
83.04974	32.5
83.05437	2.6
83.08615	8.0
85.06548	3.2
91.05473	71.5
93.07039	69.6
93.07495	1.0
95.04963	29.6
95.08018	3.2
95.08598	40.4
95.09211	2.4
97.06508	6.7
97.10146	4.5
98.22686	3.4
98.97589	3.6
98.98411	2.4
101.06003	1.5
103.05479	3.4
104.49155	1.4
105.04504	5.1
105.07018	45.6
106.38937	1.5
107.04958	5.3
107.08578	19.7
109.06512	10.2
109.10141	7.6
111.08029	2.4
111.11684	1.9
112.99999	28.4
115.05394	1.9
116.98634	3.2
117.07047	8.5
119.08571	30.7
121.06482	4.6
121.10132	5.9
123.08088	9.7
123.11716	1.7
125.21196	1.5
127.01514	8.5
127.07555	1.8
128.00771	1.3
128.06210	2.2
129.06979	17.1
130.07710	1.8
131.08551	3.5
133.06508	1.9
133.10135	15.0
134.99661	1.9
135.07996	1.9
135.11676	4.9
139.32359	1.4
143.08578	9.6
145.10136	10.5
147.08044	3.4
147.11671	38.6
149.09547	2.1
151.07542	1.4
159.11635	2.0
161.09584	7.2
161.13255	13.7
171.11665	28.0
189.12753	9.9
207.13773	11.7
248.23119	1.7
258.99667	2.5
277.00781	2.5
281.07913	3.4
281.11307	2.8
281.17535	28.9
281.22034	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	282.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	0.7
56.96565	10.3
63.07273	0.4
64.16820	0.3
69.53574	1.0
71.95268	0.7
98.97576	100.0
99.97906	0.4
116.98615	49.6
119.01939	0.5
134.99648	12.9
140.00206	0.5
153.00710	0.8
158.01205	0.6
216.98868	1.4
219.02028	1.3
220.02051	0.6
234.99918	1.9
240.98666	3.7
258.99753	40.7
259.99985	1.7
277.00800	58.7
278.00922	2.8
282.99991	5.3
295.01865	1.0
301.01010	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	282.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.5
57.65224	0.7
58.82816	0.7
59.97311	0.7
65.70836	0.7
69.83736	2.1
69.84071	0.8
70.06566	0.8
71.76714	0.8
86.09719	0.7
98.22712	0.9
98.97576	2.5
105.10612	0.8
116.59311	0.8
126.49527	0.8
128.28033	0.8
136.22505	0.7
150.07739	100.0
158.01297	0.9
215.23099	0.7
234.96138	0.9
258.99496	0.7
260.81140	0.7
282.04871	22.4
282.08228	1.7
282.11902	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	282.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17750	4.6
69.18174	4.9
71.41678	1.2
90.12791	1.2
94.92988	2.8
98.97574	2.1
112.89585	1.8
114.89338	4.0
116.98637	2.0
136.06209	2.2
138.05489	7.1
150.07735	100.0
180.90378	2.9
181.96040	2.2
196.87787	11.4
197.31247	1.6
207.01442	3.2
208.97211	2.8
236.00922	3.0
252.85435	1.4
282.01724	3.1
282.04819	19.8
282.11716	2.6
297.10049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1196
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
51.34913	0.2
54.34446	0.2
55.01854	0.7
56.85446	0.2
56.96548	0.2
57.03436	1.4
57.04531	0.4
58.55766	0.2
61.02913	0.3
69.03422	0.6
69.79215	0.4
70.06622	0.2
71.01350	0.4
73.02917	0.6
77.25082	0.2
82.10232	0.2
85.02905	1.0
87.04421	0.2
91.05405	0.3
91.61050	0.2
94.04047	1.0
97.02857	0.2
98.22728	0.2
98.97568	1.8
104.10755	0.3
107.04926	0.2
108.04379	0.2
116.98607	1.3
120.08086	0.5
121.02889	0.4
121.08443	0.5
123.06678	0.6
127.01542	2.1
128.01895	0.4
133.05019	0.7
134.99687	0.9
136.06175	2.5
150.07742	100.0
151.08182	1.2
153.00638	0.2
167.08949	0.2
171.93767	0.2
201.07240	0.2
222.34576	0.2
247.07724	0.3
250.94441	0.3
258.99799	1.0
277.00937	1.3
282.11960	11.7
282.15018	0.4
282.22107	0.4
283.11829	0.8
300.06168	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	282.1196
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
50.81105	0.2
55.01862	0.6
56.96554	0.2
57.03433	0.9
59.04992	0.8
61.02925	0.2
68.37510	0.2
69.03420	2.0
70.74577	0.3
71.04986	0.3
73.06580	0.2
75.04475	0.6
76.05012	0.2
85.02905	0.4
87.04453	0.8
93.01032	0.7
94.04032	0.5
97.02885	0.5
98.23331	0.2
98.97567	1.0
101.06020	1.4
104.10754	0.3
110.58844	0.2
111.04461	0.2
115.03905	0.5
116.98608	0.7
119.03560	1.5
121.02849	0.4
124.13964	0.2
129.05418	0.3
134.99718	0.3
136.06174	100.0
137.04553	0.6
137.06535	0.8
147.06519	0.5
150.07706	1.5
150.91170	0.2
172.97693	0.2
198.96710	0.2
258.99747	0.5
277.00717	0.8
282.11929	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	282.1198
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
54.94741	0.2
55.01867	0.5
56.96552	1.1
57.03422	0.9
57.93561	0.6
59.04990	0.3
67.05482	0.3
69.03422	0.5
69.07051	0.6
70.06569	0.3
71.01356	0.5
71.41848	0.2
72.08161	0.4
73.02918	0.4
77.44308	0.2
78.99510	0.2
85.02895	1.0
86.96176	0.4
91.05479	0.6
92.02489	0.2
93.01049	2.3
97.02897	0.5
97.06509	0.6
98.97578	2.8
103.03941	0.2
103.05418	0.4
108.05599	0.5
109.05101	0.7
113.00036	0.3
115.03915	0.3
116.98630	2.6
118.06536	1.7
120.08100	4.0
121.02816	0.3
121.08407	0.7
127.01558	2.6
128.01846	0.4
133.05089	6.2
134.09593	0.3
134.99629	1.5
136.06180	7.3
136.07355	0.4
136.07632	0.4
137.07916	0.7
138.05489	0.4
148.96156	0.4
150.07738	100.0
151.04770	0.8
151.08173	1.4
152.03238	0.6
162.94083	0.9
167.00017	4.0
168.00804	0.7
169.05833	1.8
172.97795	0.3
176.00011	1.1
177.00778	0.7
178.01649	1.3
178.05257	0.2
185.01035	1.4
188.98894	0.6
193.09666	0.3
194.01091	5.9
196.02637	1.6
205.00317	0.3
210.00636	0.3
222.00638	0.4
223.11160	0.3
249.95129	0.2
250.94466	0.6
258.99759	1.9
259.09729	0.5
277.00870	2.1
277.10715	0.6
282.02628	2.4
282.11911	8.2
282.14490	3.0
282.22064	0.5
282.97208	0.3
283.12314	0.7
283.17035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01880	2.1
56.96561	16.0
57.03423	3.4
61.02915	9.9
64.99897	2.1
69.03421	13.9
70.55270	3.9
71.12985	1.9
72.08139	2.5
72.43026	2.0
73.02929	4.1
74.29488	1.8
81.03412	7.0
85.02897	88.5
85.06538	16.6
86.09712	3.5
87.04439	4.5
91.03945	5.4
97.02885	18.6
98.97575	100.0
109.02905	4.7
111.38197	2.1
115.03873	2.6
116.98612	76.6
120.08121	9.2
121.08459	7.3
127.03911	23.7
134.99658	37.8
136.06171	22.0
138.05394	1.9
140.00195	2.0
145.04939	40.0
150.07739	97.0
153.00729	5.7
158.06593	2.0
163.06004	11.9
172.51434	2.0
172.95216	3.5
229.10709	2.6
240.98787	2.9
252.12700	5.9
258.99728	52.8
260.00009	3.7
261.20639	2.0
264.12454	3.4
270.13699	4.4
271.13205	2.2
277.00806	67.3
277.10724	3.7
278.00940	5.9
282.13727	4.6
282.18326	2.6
282.22043	2.7
300.06125	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	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29375	0.2
52.50022	0.2
55.05512	0.5
56.96551	0.2
58.52763	0.2
59.05001	0.5
61.02921	0.5
70.92741	0.3
71.04990	8.7
79.05492	0.5
81.07057	2.6
84.08103	0.2
87.04473	0.2
87.08102	0.3
98.97589	1.0
99.08121	0.3
109.05127	0.9
110.03512	4.1
113.09629	3.4
116.98642	0.6
120.04483	0.3
120.08119	0.3
121.02880	0.3
125.81297	0.2
128.04550	2.0
134.04639	0.5
134.09625	0.2
134.99640	0.3
135.03009	3.8
139.55972	0.2
149.04561	0.4
152.05659	100.0
153.04068	8.1
153.06015	0.9
166.07233	2.2
167.05582	0.5
179.39369	0.2
189.11275	0.2
232.11880	0.7
238.10274	0.2
239.68423	0.2
250.12967	0.8
258.99716	0.5
277.00803	0.4
282.10526	0.4
282.15555	8.6
283.11368	0.8
283.16446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
54.64383	0.2
55.05494	0.6
56.06158	0.2
57.03431	0.5
59.05019	1.3
61.02931	1.4
68.99781	0.3
70.93777	0.2
71.04990	3.4
72.35719	0.2
73.59968	0.2
79.05491	1.0
81.07056	5.4
81.47547	0.2
85.37292	0.2
87.08102	0.4
89.06031	9.8
93.76746	0.2
95.04960	0.2
98.97585	1.6
99.08100	0.4
107.07067	0.3
109.05122	0.9
110.03526	3.2
113.09647	0.7
116.98598	1.0
120.04442	0.9
120.08123	0.5
121.02867	1.4
126.01080	1.0
128.04552	1.6
130.33424	0.2
133.08592	3.2
134.04636	0.3
134.99673	0.6
135.03011	5.6
145.42485	0.2
152.05667	100.0
153.04076	11.2
153.06015	0.9
154.02531	0.2
166.07211	1.4
167.05586	0.3
169.36122	0.2
174.12785	0.6
177.11205	2.7
191.17401	0.2
220.13380	1.0
222.10583	0.3
232.11864	0.6
250.12997	2.5
255.06583	0.6
258.99789	1.0
265.16306	0.5
277.01004	1.1
282.15637	22.6
282.19086	3.6
282.22217	0.5
283.02548	0.6
283.05875	0.5
283.15515	0.3
283.17670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77094	0.2
55.05511	0.5
57.03430	0.2
59.05014	0.8
61.02935	0.6
69.03411	0.2
69.36508	0.8
70.06600	0.4
71.04992	7.8
71.61750	0.2
74.21098	0.2
74.76470	0.2
79.05506	0.5
81.07053	2.4
81.07491	0.2
85.02914	0.2
91.05505	0.2
98.97578	1.2
107.08623	0.2
109.05143	0.8
110.03521	4.0
113.09642	3.9
113.10384	0.3
116.98634	0.6
120.04504	0.9
120.08101	0.5
121.02862	0.7
121.49825	0.2
128.04564	2.4
128.59019	0.2
134.04630	0.5
134.99658	0.5
135.03009	3.5
135.85623	0.2
136.01463	0.3
138.05490	0.5
140.89867	0.2
142.63322	0.2
152.05667	100.0
153.04080	8.9
153.06015	0.7
166.07239	1.8
167.05666	0.4
187.66226	0.2
189.11337	0.3
190.85233	0.2
209.11714	0.2
221.08386	0.3
232.11852	0.7
240.98833	0.2
250.12943	0.5
251.96634	0.2
258.99866	0.4
259.71283	0.2
264.14566	0.3
277.00720	0.8
282.12509	0.4
282.15536	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	282.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05508	1.1
56.89318	0.6
58.89089	0.5
59.04989	0.9
61.02916	1.4
67.65593	0.5
69.03413	0.8
69.34719	0.5
70.06565	0.6
71.04981	3.1
73.06556	1.0
79.05482	2.0
81.03394	0.7
81.07051	5.1
82.14526	0.7
87.04466	4.4
89.06025	100.0
91.05492	0.7
98.97575	3.4
105.07053	0.8
107.04896	0.7
107.07054	1.9
109.05130	1.1
110.03518	2.9
116.98615	2.7
120.04445	1.1
120.08101	2.8
121.02868	8.7
126.01071	2.9
128.04549	1.5
130.08737	0.5
131.07054	0.9
133.08598	30.4
134.09720	0.8
134.99670	1.8
135.03030	3.1
137.02419	0.8
139.03859	1.2
149.06052	0.6
152.05664	72.5
153.04053	8.3
153.05988	1.2
166.07285	4.3
167.05649	0.7
174.12744	3.4
177.11201	28.8
198.06871	0.5
220.13329	6.3
232.11989	0.8
236.07045	0.6
250.12982	1.1
255.06450	3.1
255.58966	0.6
258.99829	2.3
265.16406	5.0
277.00818	2.7
282.04974	0.8
282.07837	1.1
282.10843	0.8
282.15640	17.5
282.19128	33.4
283.01016	4.8
283.05878	2.9
283.17529	6.8
283.20175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.3
53.87635	0.2
55.01872	0.3
55.05513	0.5
56.06313	0.2
57.03434	0.5
65.00296	1.4
65.03932	1.7
67.05497	0.9
68.99785	39.7
69.03414	0.4
69.19910	0.6
69.20315	0.7
79.01854	2.7
79.05494	1.4
81.03414	0.6
81.07049	0.9
83.04955	0.5
87.00821	1.3
89.03920	0.3
91.05470	3.6
91.16050	0.2
92.99760	18.4
93.03416	0.3
93.07029	0.9
94.00072	0.4
95.04959	1.3
95.08597	0.7
97.02881	0.3
97.06501	0.3
98.23436	0.5
103.05479	0.5
105.07056	0.4
107.04951	0.9
107.08598	0.4
109.06508	0.3
109.10187	0.3
110.44884	0.3
111.04463	1.7
115.05443	1.2
117.07086	0.4
119.04937	10.0
119.08526	0.3
121.02856	74.7
121.10134	0.5
122.03182	1.4
123.08056	1.0
125.05978	0.6
129.03329	0.5
131.04926	9.5
135.00763	9.5
135.11699	0.6
136.98711	1.2
143.04907	0.8
145.02835	28.5
145.10033	0.7
146.03162	0.8
151.07553	0.3
155.04897	0.3
157.02831	2.0
159.04494	1.3
163.03893	10.0
163.11143	0.7
164.04202	0.3
164.98187	1.0
169.02765	0.5
170.51033	0.2
171.04422	2.0
173.09554	0.4
177.05493	0.3
182.99237	4.9
187.03888	14.0
188.04256	0.3
199.03889	2.4
201.00284	0.8
204.05135	0.2
209.11684	0.9
213.01785	0.9
227.03459	0.5
227.12740	0.3
231.02876	7.5
232.03120	0.3
238.17973	0.4
239.05443	0.4
247.05858	0.3
255.02855	100.0
256.03183	4.1
265.07068	0.3
268.07114	0.5
273.03812	0.3
282.99429	0.4
283.02335	4.8
283.05850	0.7
283.09549	2.6
283.15088	0.7
283.19958	0.3
301.03397	23.7
302.03815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
52.83237	0.3
55.05484	0.3
57.03444	0.4
64.75171	0.2
65.00301	1.6
65.03947	1.6
67.05502	0.8
68.99787	36.7
69.64995	1.0
70.00102	0.3
76.56528	0.3
79.01849	2.3
79.05506	0.6
81.07059	0.8
83.04985	0.3
85.02894	0.3
87.00832	1.1
91.05479	3.0
92.99761	17.6
93.07036	0.7
94.00102	0.3
95.04963	1.0
95.08598	0.7
96.61050	0.2
97.02932	0.4
99.08085	0.2
100.03757	0.2
103.05462	0.6
105.07001	0.3
107.04919	0.5
107.08610	0.3
111.04429	1.8
115.05448	0.8
117.07013	0.5
118.95448	0.3
119.04937	9.9
120.05234	0.3
121.02859	74.6
121.10091	0.5
122.03197	1.2
123.08088	0.8
129.03380	0.3
131.04921	9.0
131.08632	0.3
133.10153	0.4
135.00763	8.7
135.11676	0.3
136.01143	0.2
136.98671	1.2
139.03856	0.2
143.04929	0.6
145.02841	28.2
145.10107	0.5
146.03162	0.7
155.04832	0.3
157.02811	1.7
159.04413	1.3
163.03889	10.9
163.11169	0.3
164.98189	0.6
169.02866	0.4
171.04388	2.2
181.12186	0.2
182.99249	5.1
187.03883	14.6
199.03873	2.6
201.00311	1.1
208.08917	0.3
209.11711	1.1
213.01807	0.7
223.11165	0.6
227.03368	0.5
231.02887	7.9
237.01912	0.4
239.05359	0.3
255.02861	100.0
256.03210	3.7
265.07056	0.4
268.07074	0.3
273.04010	0.4
283.02332	4.6
283.05670	0.5
283.06372	0.4
283.09433	2.2
283.16748	1.0
283.19849	0.3
284.02576	0.3
301.03406	21.5
302.03690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01850	0.3
57.03441	0.4
57.16516	0.3
59.23159	0.4
65.03935	3.0
69.03423	3.8
69.07119	0.4
70.06590	0.8
71.04990	0.6
71.19005	0.6
74.93134	0.3
81.03409	7.2
84.46611	0.4
85.02901	5.6
86.09761	0.4
89.06015	0.5
91.76098	0.4
95.04963	6.9
97.02877	1.6
98.88313	0.4
98.97574	0.8
99.04429	1.2
105.96835	0.5
109.02883	3.1
110.07179	0.4
111.00831	0.4
111.04428	2.4
116.98588	0.7
121.02857	100.0
121.03874	3.5
122.03189	1.6
126.01097	0.6
127.03905	1.3
134.99641	0.5
139.03894	8.7
152.05536	0.4
153.04443	0.5
153.05626	0.4
155.18462	0.3
174.87065	0.4
188.68239	0.5
195.11830	0.5
223.11177	0.9
225.09047	0.6
255.06389	0.8
265.07019	3.8
265.15884	0.4
278.00867	0.8
283.05771	0.9
283.11502	6.7
283.16663	3.0
283.19910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25446	2.9
53.03945	3.0
55.01856	7.1
57.03424	5.5
61.02908	4.4
65.03948	3.6
69.03426	100.0
69.47328	2.8
70.81115	2.8
70.81468	5.0
71.04982	5.4
77.49029	2.8
79.05458	5.0
81.03410	3.1
85.02904	10.7
87.04433	4.4
91.05471	17.3
93.07042	6.4
95.04991	4.2
99.04415	3.1
103.05468	14.8
105.07024	43.4
107.04974	2.9
111.04459	4.4
115.05442	23.1
117.07000	12.5
119.04921	8.7
121.02853	39.7
121.06483	10.4
123.04434	6.1
123.08022	3.8
128.06206	6.2
129.07013	18.4
131.04922	20.9
133.06490	45.6
135.04420	3.9
137.05974	22.0
141.07008	6.6
143.04909	17.7
143.08549	3.1
145.06479	10.1
147.04410	17.8
147.08070	4.8
149.05981	42.3
151.07524	57.1
155.08559	8.3
157.06473	17.2
159.07988	3.4
160.05173	3.3
161.05969	86.2
162.06328	3.0
163.03882	4.1
163.07457	15.9
165.05486	43.1
165.06833	5.7
167.07062	17.4
173.05983	13.2
173.09595	5.1
175.07552	24.9
177.05511	10.7
177.09157	5.2
179.07027	84.9
183.08060	10.7
185.05916	6.4
186.06677	4.0
187.07497	16.9
189.05479	30.2
191.07059	36.5
195.06485	8.1
201.09111	19.3
203.07037	33.1
205.08568	4.2
207.06546	10.1
211.07523	5.8
219.10231	15.0
221.08083	8.2
229.08557	36.3
247.09612	50.6
265.10699	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	283.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05506	6.0
56.96552	0.5
57.03440	1.9
57.07079	1.9
59.04995	2.0
65.03947	2.7
67.05502	100.0
68.05847	1.3
69.03434	0.6
69.07061	2.3
69.55962	0.5
69.56303	2.1
71.04990	30.7
74.99083	1.3
79.05482	3.9
81.07053	15.3
83.08620	4.1
84.33226	0.5
85.06540	18.5
85.07059	1.0
91.05481	0.7
93.00137	1.0
94.07859	0.5
97.06547	1.3
97.10193	0.5
98.97574	1.8
100.07604	1.0
102.98547	0.8
103.05479	0.6
105.07034	0.7
107.08574	2.5
109.10149	42.4
109.62500	0.5
110.10488	0.7
116.98598	1.4
119.04939	0.7
120.99554	5.5
121.02872	8.1
122.09664	1.0
127.11184	18.6
128.11578	0.6
134.99632	1.0
147.04443	1.9
150.07751	1.4
151.08054	0.9
159.08408	2.7
161.05984	2.1
162.06737	1.1
167.85060	0.5
168.13857	0.6
171.04347	0.7
177.09433	1.4
179.07053	1.4
193.03313	0.6
199.03967	0.8
219.01875	0.6
219.10429	0.6
247.09982	5.6
260.00012	0.8
260.09830	0.6
261.03049	1.2
265.11044	29.4
266.11267	0.7
278.01007	1.4
279.00604	0.5
283.02411	1.1
283.05978	0.8
283.12140	6.1
283.17093	1.2
283.20105	1.2
284.11072	3.8
284.23392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01868	5.2
55.05509	11.4
56.99303	1.0
57.03436	13.1
60.32446	0.9
65.03912	1.6
67.05158	1.6
67.05499	21.6
69.03403	2.6
69.07070	11.0
69.09801	6.9
71.04972	3.7
73.02895	1.8
79.05044	1.6
79.05487	29.6
81.03393	4.1
81.06624	1.6
81.07051	20.8
82.37050	1.1
83.05000	5.6
83.08619	9.9
85.02883	2.0
86.67868	1.0
91.05463	10.5
93.07040	45.1
95.04958	10.1
95.08600	37.9
97.02909	5.2
97.06525	5.1
99.04414	5.0
103.05459	2.0
105.04551	1.7
105.07043	9.5
107.04955	11.9
107.08591	31.6
109.06489	3.2
109.10105	3.6
111.04402	3.4
111.08070	2.8
116.98583	1.4
117.07019	11.0
119.08567	11.0
121.02072	1.7
121.02871	20.6
121.03842	2.2
121.06496	5.8
121.10149	13.5
123.08023	1.2
125.05995	4.0
125.09592	1.3
129.07005	1.4
130.07765	2.4
131.08542	2.6
133.10072	2.3
135.08006	2.5
135.11679	50.9
136.12086	1.2
139.03883	1.6
139.07471	1.1
143.08534	2.1
145.10123	29.6
153.12669	2.6
155.08394	2.0
163.11174	67.2
164.11475	2.4
173.09526	1.3
181.12233	14.7
191.10780	1.2
195.11536	1.3
209.11633	2.2
223.11078	4.2
225.09151	1.7
227.12764	95.0
228.13190	2.0
233.11372	4.1
237.16264	1.7
240.11266	2.4
241.12051	1.3
255.06424	4.6
265.07098	1.2
283.05927	2.5
283.09558	4.1
283.15079	100.0
284.15469	3.3
285.02191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1533
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.83767	1.0
55.01859	4.6
55.05509	10.6
57.03430	9.4
58.98891	1.2
65.03924	1.5
67.05162	1.4
67.05499	17.5
69.03407	2.1
69.07065	9.2
69.19299	1.1
71.01323	1.2
71.04979	3.6
77.03931	1.4
79.05486	23.9
81.03394	3.7
81.06622	1.7
81.07050	21.8
83.04966	4.4
83.08624	6.8
83.09023	1.1
85.02898	2.0
91.05490	10.5
93.07040	38.8
95.04967	8.6
95.08597	36.6
97.02879	4.6
97.06496	2.9
99.04439	4.1
100.47951	1.1
104.01943	1.1
105.07013	6.9
107.04932	11.5
107.07928	2.1
107.08590	28.2
109.06499	2.1
109.10139	4.4
111.04447	2.3
111.08037	1.5
111.35344	1.3
117.07023	9.1
119.08559	10.8
121.02861	19.1
121.06528	5.8
121.10121	11.3
125.05985	4.3
129.06972	1.4
130.07719	1.5
131.08528	2.0
133.10085	4.3
135.11679	44.3
139.07492	2.1
143.08566	1.5
145.10114	26.1
153.12674	1.9
163.11171	65.2
181.12196	12.9
209.11531	1.8
225.18428	1.3
227.12755	89.9
228.13092	3.0
233.11400	5.1
255.06438	2.9
283.06152	2.5
283.09631	4.9
283.15115	100.0
284.15421	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01867	6.7
55.05511	15.5
57.03437	13.3
57.07056	1.5
63.21343	1.0
65.03958	2.3
67.05505	22.7
68.99801	1.9
69.03442	3.6
69.07076	7.7
70.53348	2.9
71.05006	3.3
73.02922	1.4
79.05490	29.5
81.03411	8.1
81.07053	22.8
81.07549	1.2
83.04989	5.0
83.08613	8.5
85.02902	2.7
91.05479	13.5
93.06445	2.0
93.07042	47.5
95.04964	11.9
95.08602	48.4
97.02907	6.8
97.06538	5.5
97.10185	1.1
99.04475	6.1
103.05441	1.2
105.04536	1.3
105.07018	9.9
107.04944	12.4
107.08590	33.4
109.02896	1.8
109.06526	3.3
109.10144	3.8
111.04433	3.7
116.98571	1.0
117.07018	12.6
119.08559	11.7
121.01968	1.7
121.02858	21.5
121.06499	7.2
121.10126	13.1
125.05975	3.0
127.01595	1.2
129.06996	1.2
130.07808	3.0
131.08565	1.6
133.10141	3.8
135.08060	4.1
135.11690	55.4
138.21146	1.1
145.02837	1.1
145.10123	34.3
147.62616	1.0
153.12796	1.6
155.08469	1.4
163.11169	79.3
164.11557	2.1
173.09575	2.9
181.06494	1.1
181.12215	18.5
191.10625	1.3
195.11705	2.6
208.12337	1.3
209.11684	1.9
223.11176	4.4
225.09061	1.8
227.12762	100.0
228.13147	3.5
237.16522	2.1
255.02841	2.3
255.06622	1.6
265.15796	2.0
283.06131	2.0
283.09738	6.3
283.15524	18.6
297.03561	1.4
297.06870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.169
Annotation	SCHEMBL13903777
Peak:m/z	Relative Intensity
50.41047	0.7
52.21907	0.6
53.03935	2.1
55.01860	2.6
55.05510	4.2
57.03430	2.0
57.07075	1.6
58.06599	0.9
61.04035	3.0
65.03919	0.8
67.05496	6.6
69.03434	5.9
69.07063	3.7
69.72775	2.0
69.73162	1.5
71.04991	1.5
71.64796	0.6
73.04036	20.6
77.03896	1.0
79.05492	9.6
81.03415	22.3
81.07056	7.8
83.04977	3.2
83.08598	1.4
91.05479	14.0
93.07040	7.5
95.04962	10.0
95.08601	7.0
97.06519	1.6
101.07084	0.7
103.05391	1.1
105.06348	1.0
105.07023	14.3
107.04928	2.7
107.08591	5.4
109.06505	4.1
109.10130	1.2
111.04431	2.1
111.08092	1.0
115.05437	2.9
116.06210	1.1
117.06288	0.8
117.07027	9.3
119.04966	0.9
119.08573	9.8
121.06503	3.3
121.10129	2.4
123.04421	1.7
123.08053	1.6
127.01242	5.2
128.06201	5.9
129.06990	10.2
130.07843	4.9
131.04863	1.3
131.08556	15.9
133.06473	3.3
133.10115	4.0
135.08011	3.1
141.06984	8.7
142.07770	7.1
143.08557	15.1
144.09271	1.9
145.06490	3.3
145.10118	13.2
147.08025	3.8
147.11681	1.6
149.09587	1.9
152.06183	1.6
153.02815	1.9
153.06979	4.9
154.07748	2.5
155.08557	13.2
156.09366	4.5
157.06459	2.1
157.10118	15.6
158.10818	1.4
159.08058	3.8
159.11678	10.9
161.09612	3.9
161.13231	0.9
165.06973	9.0
166.07799	5.3
167.04367	9.3
167.08565	13.1
168.09335	4.3
169.06505	1.9
169.10127	13.9
170.10889	1.5
171.08025	3.3
171.11697	11.1
172.12317	0.9
173.09612	3.5
173.13240	13.9
175.11217	3.5
178.07774	2.1
179.08548	8.9
180.09326	6.6
181.06490	1.9
181.10101	17.3
182.07300	0.9
182.10844	4.5
183.08058	4.6
183.11676	11.6
184.07091	0.8
184.08829	1.2
185.09613	6.5
185.13210	3.8
187.11169	3.3
189.09105	0.9
189.12723	1.5
190.07613	0.8
191.08557	2.0
192.09294	2.2
192.39912	0.6
193.10117	9.2
194.10907	4.0
195.08037	3.5
195.11679	16.5
196.08826	1.5
196.12411	2.1
197.09610	4.3
197.13249	8.7
198.87038	0.9
199.07574	0.8
199.11143	4.9
199.14809	1.9
201.09135	0.8
201.12709	9.6
202.13405	2.1
204.09377	1.4
205.10126	3.0
206.10902	4.5
207.11639	7.0
208.08797	1.1
208.12431	3.4
209.09610	5.3
209.13205	8.0
210.10332	1.0
211.11166	3.1
211.14816	4.1
213.09106	1.9
213.12721	3.2
215.14352	0.7
217.10173	4.3
219.11679	2.1
220.12424	1.2
221.09726	1.6
221.13222	5.8
222.10391	1.5
222.13943	3.5
223.11174	4.3
223.14787	7.1
224.11899	1.3
225.12680	3.1
225.16267	1.5
227.07506	2.3
227.10493	1.8
227.14172	1.5
227.17921	1.5
232.12410	4.1
235.11206	1.4
235.14792	2.1
236.11884	1.3
237.12642	2.5
237.16391	13.2
239.14267	6.9
241.12209	3.1
241.15880	1.6
247.14757	5.0
250.13544	1.1
253.15869	1.7
255.13777	1.0
255.17343	6.5
256.17776	1.1
265.15851	18.6
283.13821	10.8
283.16873	100.0
284.17081	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	283.1691
Annotation	SCHEMBL13903777
Peak:m/z	Relative Intensity
52.80110	0.5
53.03939	1.1
55.01864	1.5
55.05506	3.9
56.99477	0.5
57.03424	1.3
57.07079	1.0
60.68657	0.6
62.87130	0.5
65.03933	1.2
67.05507	6.3
69.03055	0.7
69.03417	5.0
69.07063	3.6
70.11549	1.4
71.04984	1.0
77.03925	0.9
78.48211	0.6
79.05054	0.7
79.05489	8.0
81.03412	20.6
81.07052	7.7
83.04992	2.8
85.02913	1.1
85.06531	0.7
90.22268	0.6
91.05473	11.4
93.07040	7.8
95.04966	8.6
95.08596	6.1
97.06512	1.4
97.90018	0.6
99.04449	0.5
103.05444	1.3
104.92265	0.5
105.03410	0.7
105.04509	0.8
105.07026	15.4
107.04285	0.6
107.04923	2.7
107.08588	5.7
109.06505	3.2
109.10160	1.7
111.04414	1.6
111.08048	0.7
115.05432	2.7
115.19903	0.6
116.06275	0.6
117.07010	7.4
119.04951	1.0
119.08568	9.9
121.06514	3.5
121.10133	1.9
123.04398	1.3
123.08052	2.2
123.11697	0.6
125.46466	0.5
128.06195	5.9
129.06993	8.8
130.07776	1.0
131.04941	0.8
131.08553	13.7
133.06505	2.9
133.10114	2.8
135.08041	2.5
137.05974	0.8
141.06981	7.0
142.07773	7.9
143.08556	14.1
144.09297	1.8
145.06488	3.4
145.08978	0.8
145.10118	12.3
147.08066	3.4
147.11664	1.4
149.09587	1.4
152.06210	1.3
153.06975	4.8
154.07753	2.5
155.08539	12.0
156.09373	4.9
157.06496	2.3
157.10114	14.3
158.07306	0.8
158.10875	1.2
159.08090	3.0
159.11684	9.7
161.09621	2.6
161.13271	1.1
163.11169	0.6
165.06987	7.9
166.07790	4.9
167.08545	9.7
168.09311	4.0
169.06438	1.4
169.10115	13.2
170.10858	2.1
171.08052	4.3
171.11688	10.1
172.08859	0.7
172.12343	0.7
173.09583	3.2
173.13261	11.3
175.11140	4.8
176.14418	0.7
178.07756	2.6
179.08531	9.3
180.09317	5.6
181.06503	1.6
181.10101	15.9
182.07286	0.8
182.10925	4.0
183.08122	3.4
183.11673	11.1
184.08774	0.7
184.12439	1.1
185.09628	5.5
185.13211	3.1
187.11159	2.6
189.09052	0.8
189.12695	1.7
191.08559	3.2
192.09303	3.2
193.10138	8.1
194.10918	4.9
195.08037	4.0
195.11681	14.5
196.12410	2.0
197.09592	3.4
197.13246	8.4
198.10281	0.8
198.14099	0.8
199.07443	0.7
199.11159	5.1
199.14864	2.5
201.09109	0.7
201.12740	7.9
202.07819	0.8
202.13364	1.5
203.08534	1.0
204.09282	1.0
205.10167	2.2
206.10905	4.1
207.07985	1.1
207.11636	7.2
208.08781	1.4
208.12479	3.2
209.09601	5.5
209.13219	8.3
210.10413	0.8
210.13847	1.0
211.11115	4.2
211.14699	3.8
212.11925	0.8
213.09132	1.6
213.12633	3.5
213.16362	1.0
215.10616	0.9
217.10143	4.0
218.10873	1.1
219.11737	2.1
220.12399	1.1
221.09720	1.3
221.13219	6.5
222.10350	1.1
222.13925	3.8
223.11194	6.3
223.14745	6.1
224.11914	0.9
225.12753	2.9
225.16345	0.9
227.10631	2.6
227.14320	1.8
232.12405	2.9
235.11255	1.6
235.14786	3.1
236.11916	0.9
237.12759	2.9
237.16348	11.8
239.14279	6.3
240.15050	1.0
241.12250	3.0
241.15918	1.2
247.14827	4.8
250.13387	1.8
252.11539	1.8
253.15820	1.4
254.16661	0.6
255.13921	1.5
255.17424	7.5
265.15854	16.3
283.16901	100.0
284.17242	4.2
284.20068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1692
Annotation	SCHEMBL13903777
Peak:m/z	Relative Intensity
53.03939	2.4
55.01865	1.7
55.05514	4.0
57.03432	1.3
57.07052	1.0
59.95037	0.6
65.03930	1.1
67.05501	6.7
69.03426	6.1
69.07057	3.9
70.67758	1.1
71.04977	1.5
76.77664	0.6
77.03955	0.9
79.05487	8.6
81.03412	26.9
81.07052	7.4
83.04986	4.4
83.08622	0.7
85.06532	0.7
91.05471	16.0
93.07042	7.2
95.04971	9.9
95.05542	1.1
95.08596	6.0
97.06521	1.7
103.05449	1.6
103.28374	0.6
105.03382	0.7
105.07022	15.0
107.04933	3.3
107.08575	5.3
109.06507	3.5
109.10136	2.2
111.04436	2.3
111.08035	0.9
115.05456	2.3
117.07002	10.1
119.04900	1.2
119.08586	11.4
121.06516	3.6
121.10157	1.2
123.04414	1.4
123.08063	2.1
126.37399	0.7
128.06203	6.4
129.06987	12.3
130.07794	0.9
131.04941	2.0
131.08560	15.7
133.06485	3.7
133.10109	3.9
135.08061	2.5
135.11713	0.9
137.09595	0.9
141.06996	7.3
142.07782	7.9
143.08557	13.9
144.09343	2.2
145.06483	4.7
145.10117	15.6
146.07224	0.6
146.10391	0.7
147.08060	3.8
147.11642	1.7
149.09633	1.5
152.06210	1.1
153.06989	5.1
154.07722	3.4
154.08841	0.6
155.06015	0.6
155.08551	13.7
155.48697	0.6
156.09348	6.9
157.06477	2.1
157.10133	14.9
158.07124	0.9
158.10826	1.4
159.08069	5.1
159.11684	9.8
161.09596	3.3
161.13287	0.9
165.07002	8.8
166.07791	5.6
167.08551	10.9
168.09323	4.1
169.06509	1.0
169.10120	15.7
170.10881	1.3
171.08034	5.9
171.11687	10.4
172.08784	0.7
172.12117	0.9
173.09622	5.4
173.13249	16.6
173.14740	0.9
174.13708	0.6
175.07639	0.6
175.11134	5.3
178.07790	2.9
179.08553	11.5
180.09340	5.5
181.06512	1.2
181.10112	17.4
181.11700	1.1
182.07246	0.8
182.10922	5.7
183.08080	3.2
183.11687	12.9
184.08858	1.0
184.12433	0.7
185.09650	6.1
185.13185	3.6
187.07410	0.8
187.11189	2.8
189.09035	0.8
189.12715	1.8
191.08568	3.1
192.09312	3.4
193.10120	9.9
194.07217	0.8
194.10909	5.5
195.08034	3.9
195.11671	18.1
196.08971	1.0
196.12379	2.5
197.09634	4.2
197.13240	9.8
198.10379	1.5
198.13928	0.7
199.07626	1.3
199.11174	4.2
199.14801	2.1
201.09212	0.6
201.12709	9.0
202.07700	0.8
202.13483	2.3
203.08549	1.6
203.10530	0.8
205.10135	5.0
206.10928	5.5
207.11700	6.2
208.08919	0.9
208.12456	4.3
209.09598	5.5
209.13220	8.9
210.10190	0.6
210.13681	0.9
211.11143	3.1
211.14815	5.2
212.11887	0.9
213.09129	0.9
213.12730	4.1
215.14288	1.5
217.10091	4.4
219.11705	2.1
220.12482	1.0
221.09621	1.4
221.13210	8.4
222.10464	1.2
222.14003	3.1
223.11195	5.9
223.14793	7.2
224.11995	1.5
225.12773	3.6
225.16278	0.8
226.13426	0.7
227.10713	3.4
227.14369	1.9
227.17940	1.5
232.12463	4.1
235.11140	1.4
235.14890	3.1
236.11935	1.7
237.12663	2.8
237.16370	15.8
239.14291	7.2
240.15012	0.8
241.12202	3.3
241.15800	1.7
247.14812	6.6
250.13628	1.4
252.15042	0.9
253.15843	2.5
255.13712	0.6
255.17381	7.3
265.15854	16.9
266.16165	1.2
283.16898	100.0
284.17334	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	283.1691
Annotation	SCHEMBL13903777
Peak:m/z	Relative Intensity
50.99442	0.6
52.63021	0.6
53.03929	1.2
55.01844	1.6
55.05514	3.2
57.03405	0.9
59.41257	0.5
59.60766	0.5
59.61087	0.7
62.92794	0.6
65.03932	1.2
67.05499	5.9
69.03431	3.7
69.07066	3.0
71.04993	0.9
77.98558	0.7
79.05484	5.9
81.03403	16.1
81.07040	6.4
83.04967	2.4
83.08595	0.7
85.02879	0.8
85.06499	0.7
91.05466	10.5
93.07031	8.2
95.04958	7.3
95.08579	4.7
97.06510	0.8
103.05470	0.9
105.07010	13.0
107.04930	2.3
107.08585	5.0
109.02885	0.7
109.06508	3.5
109.10136	1.0
111.04411	0.7
115.05425	1.2
117.06994	6.5
118.70705	0.6
119.04916	1.2
119.08566	8.7
121.06513	3.0
121.10117	1.5
122.18410	0.7
123.04412	1.4
123.08064	2.3
128.06216	4.6
129.06972	6.8
130.07759	1.4
131.04852	1.1
131.08537	11.0
133.06424	2.1
133.10146	3.8
135.08051	2.3
137.05901	0.8
141.06961	6.6
142.07753	6.7
143.08560	11.8
144.09344	0.9
145.06465	2.9
145.10109	9.2
147.08025	2.3
147.11662	1.1
149.05920	0.7
149.09615	1.4
153.06981	2.8
153.41438	0.7
154.07770	2.1
155.08524	11.1
156.09344	4.3
157.06442	1.7
157.10115	12.1
158.10898	0.7
159.08015	3.7
159.11661	7.6
161.09595	2.8
163.11124	0.7
165.06953	6.2
166.07741	4.7
167.08525	9.9
168.09303	3.4
169.06454	1.0
169.10103	10.2
170.10826	0.7
171.08028	3.8
171.11676	6.5
173.09584	2.2
173.13229	6.8
175.07486	1.0
175.11153	3.5
178.07703	1.8
179.08537	7.0
180.09305	5.7
181.06476	1.2
181.10092	13.5
182.10858	2.6
183.08118	3.2
183.11656	10.1
184.12430	0.8
185.09584	3.1
185.13228	2.8
187.11157	2.0
187.14948	0.8
189.09039	0.9
189.12776	1.8
190.07797	0.8
191.08563	2.1
191.14308	0.8
192.09302	2.9
193.10072	7.4
194.10873	3.0
195.08035	2.2
195.11642	12.5
196.12282	1.3
197.09605	3.4
197.13219	6.4
199.11156	3.5
199.14807	1.5
201.12711	7.6
202.13455	1.7
203.08511	1.3
204.09293	0.7
205.10120	2.3
206.10872	2.9
207.11659	5.8
208.08763	0.7
208.12373	2.3
209.09616	4.1
209.13174	5.0
210.10313	1.0
211.11168	2.6
211.14693	3.4
213.09195	1.2
213.12712	2.8
215.14278	1.4
217.10089	2.7
219.11758	1.4
221.09711	1.4
221.13202	5.4
222.13983	2.9
223.11142	5.7
223.14714	4.9
224.11813	0.7
225.12706	2.9
227.10609	3.0
227.14243	1.3
227.17917	1.0
232.12491	2.2
235.11237	1.2
235.14682	1.7
236.11772	1.5
237.12679	2.6
237.16350	11.4
239.14276	5.5
240.15089	0.8
241.12193	1.7
241.15773	2.0
247.14839	4.5
250.13377	1.8
253.12132	0.8
253.15497	0.7
255.13708	1.2
255.17348	6.1
265.15857	14.8
268.14584	1.0
283.16873	100.0
284.17123	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	283.1691
Annotation	Vedaprofen
Peak:m/z	Relative Intensity
57.07099	1.0
58.36273	1.0
67.87846	0.9
69.07064	1.3
69.13779	3.3
69.14201	3.2
81.07064	1.6
89.06034	3.3
93.07046	1.7
95.04976	1.2
98.22684	2.2
107.71577	0.9
119.08552	1.5
153.07016	2.7
165.06972	2.2
166.07764	1.4
167.08630	1.2
172.06000	0.9
179.08569	2.3
180.09306	4.8
181.06464	7.2
186.45903	1.2
190.07837	1.8
193.10204	2.5
194.10959	1.8
195.08043	2.9
195.11676	15.1
198.06810	1.4
199.07552	2.1
205.10097	2.7
207.08070	4.7
207.11674	1.7
208.08800	7.2
208.12500	1.6
209.09621	2.0
209.13254	1.0
211.07584	3.2
221.09584	2.6
222.10428	4.6
222.14043	2.4
223.11157	35.5
224.11678	1.1
225.09117	14.6
226.09848	1.7
235.11259	2.3
236.12042	2.0
237.12750	3.1
237.16371	6.6
239.10710	2.8
240.11409	23.6
241.12204	12.3
250.13409	1.7
253.12177	2.7
254.13106	6.4
265.15863	14.9
268.14597	3.4
283.16919	100.0
284.17191	5.1
284.32986	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	284.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30124	0.4
56.96565	2.0
57.03437	0.9
59.05000	2.3
61.02909	0.7
61.43595	0.4
69.03428	0.8
69.70499	0.8
69.70880	0.8
70.06586	22.9
74.21004	0.4
78.52840	0.4
82.99859	0.4
84.08147	0.7
85.02904	1.8
86.09711	2.2
87.04453	5.4
97.02886	0.5
98.97574	7.5
101.00861	1.2
102.33640	0.4
105.05494	4.6
110.03522	2.5
110.07136	1.8
116.07089	7.6
116.98611	5.9
119.01910	6.1
122.09632	0.4
128.04552	1.3
134.99657	3.3
135.03021	3.8
137.02966	1.7
138.05470	1.6
140.03358	0.6
141.10228	6.1
145.05008	0.5
150.07715	0.5
152.05656	100.0
153.00752	0.6
153.04076	8.5
153.05391	0.5
153.05920	0.5
158.99861	0.9
169.09695	5.7
170.97266	0.5
177.00941	12.9
178.01035	1.0
187.10730	1.6
190.05521	0.6
201.00934	1.4
205.54765	0.4
216.98674	1.1
217.03990	2.9
219.01978	20.4
220.02080	1.9
224.08603	0.4
225.00948	1.8
234.99739	1.4
242.03473	0.4
242.98482	0.5
242.99408	0.8
243.01938	8.9
261.03030	95.5
262.03156	7.2
279.00543	5.6
281.05768	0.4
284.00000	1.1
284.04681	2.2
284.16132	1.1
284.29474	1.2
302.01160	0.6
303.13705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.099
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.96552	0.7
60.85199	0.2
68.63845	0.2
70.06588	5.5
80.02499	0.2
84.08179	0.2
85.02897	0.2
86.07200	0.4
86.09696	1.4
87.04436	0.2
97.02889	0.2
98.97588	1.3
101.00863	0.3
103.99428	0.2
109.05122	0.5
110.03507	2.7
110.07181	0.4
116.07084	1.9
116.98606	0.8
119.01895	0.7
128.04564	0.9
134.04625	0.3
134.99706	0.2
135.01979	0.4
135.03009	6.4
136.01448	0.2
138.05511	0.2
139.76315	0.1
141.10190	1.1
152.05663	100.0
153.04080	7.0
153.06033	1.1
159.04903	0.4
160.08113	0.2
169.09650	1.0
172.08194	0.5
177.00958	1.4
178.01015	0.2
187.10753	0.7
189.04628	0.4
207.05553	0.2
217.04053	0.2
219.01993	1.9
224.08083	0.2
243.01941	0.7
257.17227	0.3
261.03049	9.6
262.03195	0.7
272.11792	0.2
279.00574	0.7
284.04691	0.3
284.16132	0.3
285.16556	0.4
302.01373	0.2
302.13080	0.6
303.17505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.3311
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
55.05507	0.3
57.06818	0.4
57.07072	6.1
58.06577	1.3
60.08162	24.8
61.40530	0.3
61.97995	0.3
67.05487	0.3
68.28719	0.3
68.99783	1.5
69.59194	0.9
85.10179	1.2
101.65403	0.2
109.75383	0.3
119.04921	0.9
119.08575	0.3
121.02868	0.7
139.00259	2.4
150.82648	0.3
207.53888	0.3
239.76149	0.3
257.04422	4.0
270.05325	0.4
284.33093	100.0
285.03906	4.3
285.07047	0.4
285.15396	0.4
285.18253	1.4
285.33475	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	284.9721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95854	2.9
67.13701	2.8
67.44062	2.8
70.76488	5.8
82.43562	3.1
104.99284	12.8
120.96645	100.0
141.81451	3.3
157.03513	3.7
160.04475	3.6
184.04541	9.5
202.05560	10.4
202.88591	14.4
202.95277	3.4
202.96951	17.8
220.89684	13.3
242.94859	5.3
261.03024	5.8
262.03268	13.5
284.97684	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77411	2.8
94.92989	4.7
134.62190	1.8
141.94974	2.1
179.79738	1.9
270.05109	12.0
275.62967	1.9
284.97714	100.0
285.07547	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	285.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
53.92215	0.3
55.01855	0.4
55.05499	1.7
57.03429	0.9
57.08084	0.3
67.05502	1.8
68.99786	58.4
69.03417	0.5
69.07064	0.4
70.00149	0.4
70.06595	3.6
71.42224	0.4
72.08160	0.8
79.05479	1.9
81.03414	11.9
81.03902	0.6
81.07055	2.0
83.04980	0.6
83.08620	2.1
85.02924	0.5
86.09708	0.9
87.00817	0.7
91.05480	4.1
91.39063	0.3
93.07040	5.7
95.04964	4.0
95.08601	1.2
97.06517	0.5
98.98466	0.4
100.11249	1.8
103.05468	2.7
105.04492	0.5
105.07003	2.2
107.04955	0.9
107.08611	0.3
109.02870	0.4
109.06537	0.5
109.10142	0.5
111.04452	0.3
111.08080	0.8
114.05553	2.4
115.05470	0.8
117.07000	0.3
119.04951	1.2
119.08596	0.9
121.06499	59.8
122.06071	0.4
122.06840	1.3
123.08080	0.7
124.03931	0.5
126.01083	0.6
128.00722	0.6
128.73874	0.3
129.06998	0.7
130.06471	1.3
131.04892	0.5
131.08546	0.9
133.06482	0.9
137.09673	0.3
142.06537	0.3
142.07758	0.3
144.08102	1.2
147.04391	1.4
147.08026	0.3
147.11707	1.1
149.05984	0.3
149.09636	0.4
151.07568	0.5
153.05479	1.9
157.10144	1.6
161.05980	1.1
164.98170	5.8
167.07072	0.6
168.07826	1.8
170.05983	1.8
171.04410	0.8
175.11189	1.5
182.99239	100.0
183.99568	1.4
184.99654	0.6
187.03944	0.4
193.08649	0.8
193.12201	4.1
196.07310	1.8
201.00291	52.6
202.00684	1.0
203.00894	0.4
209.07954	0.4
211.09628	0.9
211.13176	0.5
226.05693	0.3
236.11465	0.3
239.03503	0.3
243.02913	0.5
257.04471	0.9
267.02899	0.5
267.16022	0.9
285.03934	13.7
285.12851	1.8
285.23981	1.2
286.04242	0.6
303.04898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0394
Annotation	Coccineone A
Peak:m/z	Relative Intensity
54.77583	0.4
55.05504	0.6
58.90042	0.4
61.16315	0.4
67.05486	0.8
68.99786	24.9
69.22473	2.4
70.68132	0.4
71.01313	0.5
72.67677	0.3
76.03989	0.6
79.05479	0.6
81.07066	0.5
83.08616	0.4
84.02082	0.5
91.05476	3.2
92.99778	1.4
95.08620	0.4
98.22684	0.9
99.00800	0.5
105.07018	0.5
107.07146	0.5
111.00796	4.1
112.01568	0.5
117.07066	0.5
119.04936	24.9
121.02863	18.5
121.03789	0.8
131.04916	1.8
139.00253	61.6
140.00723	0.5
147.04398	1.0
155.04932	0.9
157.01317	3.5
159.04398	1.4
160.05167	0.6
166.99727	1.4
167.04912	0.9
168.00534	1.2
169.02844	0.9
173.05974	0.7
184.05212	0.6
185.00812	3.4
186.01622	1.2
187.03893	1.9
195.04395	1.9
205.04948	0.4
211.03920	1.2
215.03395	0.5
220.81992	0.4
229.04979	1.3
233.32254	0.4
234.05283	0.5
239.03410	0.5
240.04054	0.5
243.11324	0.5
257.04428	61.3
258.04849	2.3
285.03909	100.0
285.22009	0.7
286.04645	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	285.0391
Annotation	Coccineone A
Peak:m/z	Relative Intensity
50.91065	0.3
51.47463	0.3
55.05497	0.9
57.03425	0.6
59.53696	0.3
65.03934	0.7
67.05502	1.0
68.99784	30.1
69.07067	0.5
69.44137	1.6
69.97616	0.3
71.01331	0.5
79.05473	0.8
81.03421	1.5
81.07043	1.4
83.08601	0.5
85.02883	0.9
91.05474	3.8
92.99747	1.4
93.07040	0.8
95.04959	0.7
95.08585	0.9
96.03295	0.3
99.13417	0.3
103.46608	0.3
105.07025	1.0
109.10059	0.4
111.00787	3.9
111.04481	0.5
119.04932	24.5
119.08555	1.1
120.05247	0.7
121.02855	18.9
121.06486	1.3
121.10126	0.5
131.04938	1.6
131.08556	0.9
133.10120	0.8
139.00249	63.4
140.00591	0.9
142.07814	0.3
143.04840	0.4
145.06357	0.4
145.10083	0.4
147.11714	0.5
152.85350	0.3
155.04893	0.7
155.08580	0.4
157.01317	3.5
157.10107	1.1
159.04404	0.6
159.11714	0.5
161.05965	0.3
164.98250	0.5
166.99715	1.8
168.09311	0.4
169.02850	0.7
169.10144	1.6
171.11649	0.6
182.99281	2.5
183.11656	2.6
185.00786	3.3
185.13281	0.9
187.03906	1.7
193.12244	1.3
197.13271	1.1
199.14833	0.6
201.00266	0.7
203.10652	0.4
205.04918	0.4
209.13132	0.4
211.03906	1.3
211.13228	0.7
225.16322	2.2
229.04933	1.6
239.03548	0.4
239.17931	1.8
257.04422	67.4
258.04764	2.7
267.17456	0.7
277.43091	0.3
285.03900	100.0
285.18588	3.2
286.04242	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	285.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.3
57.03429	1.7
57.15446	0.5
59.55220	0.4
62.50832	0.4
65.03923	0.7
66.69852	0.4
67.05482	1.5
68.99789	36.0
69.07050	0.5
69.09872	3.2
79.05486	0.9
81.03413	3.0
81.07045	1.8
83.05008	0.5
83.08589	0.8
85.02905	2.2
88.04124	0.6
91.05472	5.6
92.99778	1.4
93.07060	1.1
95.04942	1.0
95.08604	1.0
98.23477	0.7
105.07018	1.4
107.08604	0.7
111.00800	4.2
119.04940	24.2
119.08562	1.0
121.02861	19.8
121.10148	0.6
128.06317	0.4
129.56570	0.4
131.04913	2.0
131.08592	0.5
133.10097	0.6
139.00256	64.3
140.00615	1.1
145.06497	0.5
145.10164	0.6
147.11674	0.9
155.04887	0.8
157.01340	2.6
157.10112	1.5
159.04376	0.7
166.99719	0.9
169.02783	1.3
171.11664	0.5
173.06000	0.5
183.04427	0.5
185.00804	3.0
185.13326	0.7
187.03917	1.6
189.12796	0.6
193.12244	2.5
205.04886	0.8
211.03871	1.4
211.13293	1.2
215.03131	0.5
224.58350	0.6
229.04974	1.2
239.03346	0.8
257.04434	64.1
258.04791	2.3
267.21027	0.7
281.97281	0.5
284.21768	0.6
285.03922	100.0
285.16818	1.3
285.22018	1.8
286.04303	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	285.0394
Annotation	Coccineone A
Peak:m/z	Relative Intensity
68.99790	6.7
69.47735	0.5
69.48131	1.1
77.00297	0.8
78.44087	0.3
84.96456	0.3
98.22683	0.7
102.14965	0.4
103.05440	0.8
105.07005	0.4
106.25847	0.4
115.05454	1.4
117.06991	0.7
128.06192	0.4
131.04918	5.3
145.06421	0.3
155.04921	1.3
157.06488	0.5
159.04408	4.3
160.05179	0.8
160.07471	0.3
161.05969	3.1
168.00606	0.4
171.04399	6.2
173.05919	0.9
183.04440	1.0
185.05988	0.5
187.03900	78.8
188.04294	2.0
201.05438	0.8
211.03903	3.8
229.04916	0.4
239.03389	12.6
240.03828	0.6
241.04889	0.6
257.04434	100.0
258.04724	3.7
268.06067	0.5
270.05222	8.1
284.02719	0.4
284.05563	3.9
285.03879	66.6
285.06815	8.5
286.04330	4.0
286.07147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0393
Annotation	Coccineone A
Peak:m/z	Relative Intensity
60.92334	0.4
68.99432	0.9
68.99789	17.4
69.03363	0.4
71.10945	0.6
77.00282	1.5
91.05473	0.8
92.99760	0.7
98.23415	0.4
103.05453	2.6
105.03363	1.4
115.05428	2.0
117.06968	0.9
119.04926	1.9
121.02795	0.5
129.03400	0.8
131.04915	6.6
133.06531	0.6
137.36140	0.5
138.01758	0.5
139.00278	4.4
143.05013	0.5
145.06468	1.2
147.04401	2.0
153.03293	0.6
155.04922	2.0
155.05989	0.7
157.01337	0.5
159.04425	5.1
160.05231	0.6
161.05991	2.7
161.94554	0.4
171.04401	10.9
172.04738	0.4
173.05977	1.6
182.99260	1.0
183.03023	0.4
183.04445	1.7
185.42365	0.4
187.03896	81.5
188.04242	1.8
189.05408	0.4
195.04489	0.5
200.01912	0.5
201.00311	4.8
201.05492	0.6
211.03888	4.9
215.03436	0.5
229.04982	0.5
239.03371	11.5
240.03653	0.6
241.04971	0.5
257.04431	99.7
258.04776	3.3
267.02881	4.5
270.05206	3.3
276.02026	0.4
278.10117	0.4
285.03928	100.0
285.07242	5.2
286.04346	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	285.0392
Annotation	Coccineone A
Peak:m/z	Relative Intensity
55.05507	0.8
57.03423	0.6
60.47523	0.3
62.44973	0.4
65.03933	0.9
67.05490	1.1
68.99786	32.2
69.07068	0.6
69.15361	1.5
69.15789	0.9
79.05470	1.4
81.03411	1.4
81.07052	2.5
83.04959	0.5
83.08616	0.7
85.02898	0.9
91.05479	5.3
92.99757	1.1
93.07028	1.3
95.04975	0.9
95.08602	1.6
97.06480	0.5
105.07018	3.5
107.08559	0.9
109.10166	0.7
111.00788	3.1
111.04442	0.6
111.08103	0.6
114.53189	0.4
119.04936	26.3
119.08556	2.4
120.05253	0.5
121.02859	17.6
121.06519	0.6
121.10150	0.6
125.05980	0.9
127.72773	0.4
131.04918	1.8
131.08571	0.9
133.10152	0.9
136.37895	0.4
139.00253	58.0
140.00647	0.6
141.06966	0.8
142.07768	0.4
143.08563	0.8
145.06491	0.7
145.10118	1.3
146.89928	0.3
147.04391	0.4
147.11690	0.8
155.04912	1.1
155.08545	0.7
156.09338	0.6
157.01320	4.6
157.10101	1.2
157.33731	0.4
159.04414	1.2
159.11639	0.9
161.05930	0.7
161.13211	0.8
165.06973	0.8
166.99765	0.8
168.00525	0.7
168.05742	0.5
169.02885	1.1
169.06467	0.6
169.10072	1.2
171.11749	1.9
173.06013	0.7
173.13260	0.8
182.99239	0.7
183.11632	0.9
185.00824	4.1
185.13246	1.1
187.03906	1.2
191.03236	0.4
193.12283	1.4
197.05949	1.9
197.13269	1.1
199.14838	0.5
205.04993	1.0
210.06721	0.5
211.03937	1.7
211.13168	0.7
213.05528	0.9
214.06219	0.9
221.06049	0.9
223.14911	0.6
225.05492	2.3
225.09076	1.6
225.16327	0.9
229.04941	1.7
229.12257	1.0
239.03418	0.6
239.07060	0.6
239.17903	0.9
242.05692	2.3
253.04997	2.3
253.08533	2.0
257.04425	82.6
258.04871	3.1
267.17532	0.5
267.21005	0.7
270.05222	9.0
283.84497	0.4
284.21817	0.4
285.03955	100.0
285.07483	17.3
285.18463	3.8
285.22125	5.4
286.04309	4.5
286.07559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82007	0.2
61.41106	0.2
68.99484	0.8
68.99889	4.9
69.04566	1.0
69.04989	0.5
70.53735	0.2
72.08194	0.2
91.05592	1.9
98.22713	0.5
103.05576	0.6
105.03402	1.0
109.41560	0.2
111.00923	0.6
112.01689	0.5
114.82381	0.2
116.06347	0.5
119.04955	0.9
121.02988	0.7
124.01704	0.5
131.05029	0.8
135.81319	0.2
137.02399	0.2
138.67928	0.2
139.00255	7.0
140.01111	0.5
140.06300	0.4
141.07037	0.3
144.05682	1.0
145.06546	0.3
155.05017	0.5
157.01395	0.3
167.03389	6.2
168.00542	1.9
168.05673	1.7
169.06627	0.2
171.04410	1.4
171.05711	0.2
172.05244	0.6
179.04909	3.3
181.01341	0.4
185.00786	0.9
185.06100	0.3
186.01657	0.8
186.06795	0.3
187.03944	0.5
196.05249	0.5
197.06018	0.5
199.02370	0.2
199.04022	0.4
213.05525	0.6
218.05826	0.6
224.04756	0.7
241.04938	1.8
242.05731	4.5
242.08060	0.3
243.06378	0.2
252.04088	1.0
257.04434	11.0
258.04825	0.4
269.04398	2.2
270.05206	91.7
271.05551	3.6
284.03165	1.1
285.04044	10.4
285.07523	100.0
286.04593	0.3
286.07849	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0752
Annotation	Wogonin
Peak:m/z	Relative Intensity
55.05553	0.2
60.67701	0.2
64.54668	0.2
68.99786	3.1
69.54887	1.1
84.35712	0.3
91.05515	0.6
94.20682	0.2
99.00863	0.3
103.05550	0.9
104.06334	0.5
105.03374	1.4
107.97553	0.3
111.00885	0.4
112.01646	0.6
119.05002	1.1
121.02940	0.5
123.00855	0.7
128.55072	0.2
131.04977	0.8
139.00247	4.9
139.01215	0.4
139.05496	0.4
140.01083	1.0
140.06282	0.5
141.07164	0.3
144.05740	0.8
145.06544	0.3
151.05521	0.5
159.08099	0.4
163.00304	0.4
168.00542	4.7
168.05737	1.5
171.04433	0.5
172.05226	0.5
179.04921	3.1
179.06157	0.3
185.06046	0.4
186.01630	1.2
186.06824	0.4
187.03929	0.5
189.12752	0.6
196.05225	0.8
197.06015	0.7
201.12730	0.4
209.19304	0.3
213.05460	0.6
218.05869	0.5
224.04674	0.9
239.06746	0.3
241.04999	1.6
242.05710	3.2
252.04268	1.0
253.04874	0.6
254.05791	0.5
256.06717	0.3
257.04449	6.2
269.04449	2.3
270.05222	96.0
271.05502	2.7
284.03098	0.8
284.06085	0.4
285.04193	6.0
285.07547	100.0
285.22076	0.8
286.04599	2.3
286.07880	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88533	0.2
68.99512	1.5
68.99933	3.8
72.07851	0.6
72.08298	1.8
72.32160	0.2
81.07173	0.2
84.02244	0.4
91.05647	1.1
100.77171	0.2
103.05569	0.3
105.03560	1.7
111.00962	0.5
112.01759	0.8
119.05108	1.5
121.03052	1.1
127.00332	0.3
131.04225	0.2
131.05101	0.7
137.02411	0.2
138.99294	0.7
139.00243	10.8
140.01036	2.1
140.06306	0.4
144.05812	0.4
145.06589	0.3
145.82578	0.2
155.04942	0.3
157.01439	0.6
166.99907	0.7
168.00517	12.9
168.05711	0.8
169.00987	0.2
171.04494	0.5
179.05016	0.6
185.00740	1.4
186.01573	4.5
186.06784	0.3
187.03902	0.2
196.05286	0.8
205.05045	0.2
208.20663	0.4
211.03993	0.2
213.05615	0.5
224.04684	1.4
225.05449	0.2
239.07072	0.4
241.04976	0.9
242.05682	2.8
242.12836	0.2
251.19930	0.2
252.04295	0.4
253.04860	0.4
257.04413	9.6
258.04855	0.4
268.22681	0.4
269.04370	1.7
270.05179	100.0
271.05524	3.7
284.03070	0.4
285.03955	14.9
285.07480	89.6
285.25110	0.4
286.04388	0.5
286.07831	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
50.82600	0.1
65.03989	0.2
65.38097	0.1
67.01931	0.4
68.99469	0.3
68.99863	3.2
69.46049	0.4
91.05484	2.3
103.05557	0.5
104.06323	0.3
105.03370	0.6
111.00881	0.4
111.04568	0.2
112.01659	0.3
116.06319	0.3
119.04948	1.4
120.70883	0.1
121.02861	0.9
124.01565	1.0
131.04897	0.7
139.00256	6.6
140.01105	0.5
140.06355	0.4
141.07054	0.3
144.05713	0.9
145.02892	0.2
145.06723	0.1
147.04410	0.2
149.57286	0.1
151.05502	0.3
155.04967	0.4
157.01373	0.2
167.03392	13.1
168.00562	1.6
168.03809	0.3
168.05699	1.7
169.06393	0.3
171.04453	0.8
172.05246	0.3
173.06094	0.3
179.04895	3.2
185.00847	0.6
185.05978	0.2
186.01726	0.5
186.06837	0.3
187.03999	0.2
196.05278	0.5
197.06041	0.4
199.04002	0.3
213.05437	0.7
214.06213	0.1
218.05879	0.3
223.04088	0.2
224.04639	0.8
241.04944	1.7
242.05739	5.8
243.06152	0.3
252.04303	1.1
253.04926	0.2
257.04431	5.9
258.04651	0.2
269.04419	2.1
270.05209	76.8
271.05557	3.3
284.03113	0.9
285.04123	8.2
285.07529	100.0
286.04449	0.4
286.07898	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	285.0755
Annotation	Biochanin A
Peak:m/z	Relative Intensity
52.31160	0.1
55.01857	0.1
56.02634	0.1
68.99760	0.4
69.99075	0.2
70.00610	0.1
71.01348	0.1
77.03927	0.1
84.02120	0.3
95.04947	0.1
98.23379	0.1
99.00793	0.2
102.04668	0.2
103.05449	0.9
104.06239	0.6
105.03371	1.1
112.01582	0.6
115.05418	0.3
116.06212	0.6
117.06988	0.1
126.04645	0.1
127.00236	0.2
128.06169	0.1
128.45410	0.1
129.06963	0.1
131.04893	1.2
137.02278	0.1
139.00246	0.5
139.05336	0.3
140.01021	1.1
140.06189	0.8
141.06967	0.4
142.04131	0.2
144.05684	1.5
145.06470	0.3
147.04378	0.1
151.05373	0.6
155.04868	0.8
155.05997	0.1
157.06480	0.2
158.07217	0.2
168.00526	2.3
168.04248	0.1
168.05696	2.6
169.06396	0.3
170.03548	0.1
171.04391	1.1
172.05203	0.6
173.05965	0.2
179.04895	4.7
180.05243	0.1
183.04393	0.1
183.56010	0.1
185.05930	0.4
186.01587	0.9
186.06750	0.3
188.04643	0.1
195.04361	0.2
196.05156	0.7
197.05965	0.4
199.03876	0.7
200.04654	0.2
210.03171	0.1
213.05463	0.9
217.04959	0.2
218.05727	0.7
223.03813	0.1
224.04659	1.1
225.05403	0.1
241.04939	2.2
242.05702	3.0
243.06117	0.1
252.04158	1.5
253.04953	0.1
256.03528	0.1
269.04419	2.6
270.05185	100.0
271.05530	3.7
284.03119	1.3
285.07526	60.5
286.07870	2.7
286.11041	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	285.0754
Annotation	Wogonin
Peak:m/z	Relative Intensity
52.60234	0.2
55.25492	0.3
66.10574	0.2
68.99792	0.9
69.29310	1.1
78.92768	0.2
103.05447	0.6
104.06228	0.5
105.03380	0.8
112.01534	0.4
116.06201	0.3
119.04954	0.4
121.02898	0.3
131.04897	1.1
139.00229	1.1
140.01022	0.7
140.06213	0.5
144.05663	1.0
145.06516	0.3
155.04893	0.4
168.00581	1.8
168.05690	1.8
171.04417	1.1
179.04889	3.6
181.01295	0.5
185.06020	0.3
186.01636	0.7
196.05165	0.7
197.06026	0.4
199.02347	0.6
199.03923	0.3
213.05464	0.8
218.05745	0.7
222.06284	0.3
223.04054	0.3
224.04721	0.9
241.04955	1.8
242.05750	2.7
246.72922	0.2
252.04184	1.3
257.04532	1.3
257.06778	0.3
269.04364	1.8
270.05200	85.1
271.05524	2.9
284.03052	1.0
285.07538	100.0
286.04852	0.3
286.07889	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	285.0754
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
68.99780	7.9
69.60245	1.2
91.05478	2.4
92.99758	0.8
98.23465	0.5
103.05434	0.8
103.28074	0.3
104.06259	0.3
105.03371	1.0
111.00769	1.1
112.01579	0.4
116.06260	0.4
119.04948	2.0
121.02865	1.9
129.03406	0.3
131.04900	1.1
139.00246	17.2
140.00958	0.7
140.06161	0.4
141.07014	0.3
144.05667	0.9
149.62454	0.2
151.05426	0.4
155.04897	0.6
157.01305	0.8
166.99719	0.7
168.00485	1.9
168.05661	1.7
171.04410	1.0
173.06042	0.4
179.04910	4.0
185.00777	1.7
185.05992	0.4
186.01624	0.7
186.06786	0.3
187.03899	0.5
196.05179	0.6
197.05984	0.4
199.03839	0.6
208.26862	0.3
213.05392	0.7
218.05725	0.6
224.04625	1.1
241.04996	1.7
242.05722	2.8
252.04179	1.4
257.04410	13.4
258.04761	0.3
269.04416	2.4
270.05185	100.0
271.05530	2.9
284.03125	1.5
285.03955	21.9
285.07526	87.2
286.04388	0.7
286.07843	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Wogonin
Peak:m/z	Relative Intensity
66.26143	0.2
68.99758	0.7
69.96192	0.8
70.30458	0.3
98.23408	0.3
103.05457	0.3
105.03381	1.4
111.94162	0.2
112.01559	0.7
116.06158	0.3
127.00207	0.5
131.04944	0.6
139.00241	0.5
140.01030	2.0
140.06195	0.4
144.05705	0.5
145.99498	0.2
151.05357	0.3
155.04860	0.3
165.39651	0.2
168.00534	10.4
168.05692	2.0
171.04398	0.7
179.04910	1.9
186.01569	3.6
186.06778	0.4
196.05130	0.8
199.03867	0.3
213.05592	0.3
218.05731	0.4
224.04663	1.4
240.29129	0.3
241.04993	1.3
242.05704	3.1
252.04083	0.7
264.64041	0.3
267.06540	0.3
269.04401	2.0
270.05206	100.0
271.05603	3.5
284.03168	0.6
285.07547	77.4
286.07883	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50208	0.5
60.05650	0.4
66.09654	0.4
69.57663	2.0
70.06555	1.4
70.23870	0.5
82.99860	1.3
84.04504	10.3
87.47062	0.6
96.37041	0.5
97.01369	1.8
101.00849	5.9
112.02435	0.9
112.08752	0.6
114.04028	1.0
115.02438	5.2
117.03962	1.6
119.01918	11.2
120.02035	0.5
124.02460	1.3
125.03137	0.6
125.90782	0.5
130.03505	2.4
132.05046	1.6
133.03453	1.2
135.05002	1.0
137.02916	1.7
139.02350	3.7
141.04085	0.4
142.03491	13.2
148.04555	1.2
150.06065	1.1
157.03462	32.6
158.03610	1.3
160.04552	30.8
161.04674	1.0
166.03436	3.6
167.01933	1.0
175.04506	8.6
177.36133	0.5
178.00957	1.6
180.05113	1.0
184.04543	78.1
185.02925	14.9
185.04660	4.0
186.03180	0.8
198.06120	1.4
202.05597	100.0
203.03961	3.9
203.05777	5.2
208.04576	0.8
219.01840	0.5
220.02032	2.3
220.06570	0.7
221.01782	0.9
225.07198	15.4
226.05551	2.0
226.07439	0.8
233.61685	0.5
240.82259	0.6
243.08321	0.8
249.07338	0.8
262.03036	0.8
267.08197	1.1
270.05225	3.0
285.04749	2.6
285.07596	2.3
286.04401	0.9
303.00940	0.7
303.05942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79132	1.1
53.03951	3.1
55.01875	3.7
55.05500	16.5
57.03431	25.7
57.03700	2.3
65.03949	1.6
67.05498	27.2
68.99781	41.2
69.03427	5.7
69.07064	6.0
70.16244	3.4
71.01345	1.8
71.04980	7.9
74.02721	1.4
79.05030	2.4
79.05479	25.6
81.03409	100.0
81.07049	29.1
83.03727	3.0
83.04980	12.4
83.08613	26.0
85.02894	46.3
85.06528	3.3
90.33582	1.2
91.05470	33.8
91.50474	1.2
92.99742	1.4
93.07038	16.4
95.04955	32.6
95.08591	13.5
97.02880	2.8
97.06536	4.4
97.10151	3.5
98.22762	1.4
105.07013	22.8
107.04944	5.1
107.08576	7.5
109.06493	5.6
109.10165	3.5
111.00784	2.8
111.03242	1.8
111.04426	3.0
111.08090	15.0
113.06010	4.3
115.05464	2.3
117.07029	1.7
119.04924	30.3
119.05715	1.8
119.08553	23.2
121.02850	25.7
121.03771	1.4
121.06503	5.9
121.10118	11.4
122.02370	1.8
123.08086	1.7
123.11694	3.1
125.09601	2.0
129.06985	8.8
131.04948	1.5
131.08549	9.5
133.06497	2.5
133.10139	9.7
135.11664	1.7
137.09555	1.9
139.00247	63.1
139.02620	1.8
140.03435	3.7
142.07768	3.9
143.04977	1.3
145.02910	1.6
145.10094	2.6
147.08034	4.3
147.11676	18.3
149.09586	6.9
150.01862	3.0
157.01308	3.5
157.10112	14.9
161.05992	1.4
165.12778	4.3
166.39572	1.3
167.02136	9.4
168.02910	1.8
174.44937	1.3
175.11148	19.1
182.99265	6.6
185.00888	3.6
185.03262	2.3
187.03966	1.4
193.12219	69.1
201.00388	2.6
211.03957	1.6
211.13263	40.4
225.09056	1.7
229.14304	1.6
240.06543	1.5
241.04935	1.6
245.04427	2.8
253.08707	3.0
257.04407	82.4
258.04770	3.1
267.15860	10.6
268.05954	3.4
269.04486	1.9
285.03912	85.1
285.06427	19.8
285.16895	28.8
286.04318	4.5
286.07059	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01859	2.3
55.05509	8.2
57.03437	7.8
65.03929	1.2
67.05496	12.4
68.99790	4.6
69.03417	3.6
69.07047	3.2
69.33236	3.8
69.88567	0.8
71.04987	2.8
76.83350	0.8
79.05486	12.7
81.03410	100.0
81.07050	14.8
82.03757	1.0
83.04983	5.1
83.08611	20.2
84.05621	0.8
85.02897	8.3
91.05468	17.0
93.07037	8.7
95.04958	25.3
95.08591	5.2
97.02891	2.9
97.10162	1.5
105.07024	10.8
107.04959	6.7
107.08591	2.5
109.06494	2.9
109.10138	2.6
111.04408	1.9
111.08067	9.0
113.06038	0.9
115.05482	1.4
117.06975	0.9
119.04935	1.9
119.08578	11.8
121.02878	1.1
121.06505	3.6
121.10123	5.5
123.08053	2.0
123.11678	1.0
124.62431	0.9
125.09599	1.1
126.09174	1.4
129.06990	9.1
131.08566	6.4
133.06465	3.6
133.10123	3.8
137.09619	1.3
139.00262	3.2
142.07761	2.7
145.10127	2.6
147.08049	2.8
147.11676	8.4
149.09572	3.8
155.08549	1.1
157.10103	10.4
159.11681	2.3
165.07074	0.8
165.12766	1.2
169.10182	1.0
171.11664	1.8
173.13330	1.5
174.65245	0.9
175.11165	9.8
182.99232	4.1
183.11676	1.1
185.13202	1.1
193.12222	40.4
194.12619	0.8
197.13231	1.8
199.14894	0.8
201.00243	1.3
211.13187	7.7
211.14555	1.0
212.31645	0.9
220.38742	0.8
246.21962	0.8
247.42375	0.9
251.10036	0.8
253.08609	1.1
257.04449	6.9
267.15906	8.2
267.21072	2.0
285.03824	5.7
285.07272	0.8
285.11993	0.8
285.17081	2.7
285.21960	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75245	1.0
53.03938	3.6
54.07899	0.9
55.01863	2.1
55.05507	7.6
57.03436	9.0
59.98107	0.8
65.03909	1.6
67.05496	15.1
68.99784	31.1
69.03414	2.4
69.07054	3.1
69.10574	4.9
69.10987	1.6
71.04976	1.8
79.05483	11.2
81.03412	100.0
81.07054	13.6
83.04967	4.9
83.08614	20.8
85.02895	10.4
88.68038	0.9
91.05476	19.7
92.99777	1.0
93.07040	8.7
95.04964	27.2
95.08606	4.0
96.05308	1.1
97.02894	2.4
97.06525	2.8
97.10143	0.9
98.71725	0.9
105.07019	12.3
106.03278	0.9
106.85880	0.9
107.04948	5.5
107.08575	4.1
107.98734	0.8
109.06490	1.9
109.10156	1.2
111.00791	3.2
111.04438	1.7
111.08064	8.5
113.05995	1.2
115.05428	2.2
115.64781	0.9
117.06985	1.0
119.04934	23.4
119.08580	12.7
121.02861	15.4
121.06499	3.4
121.10096	4.5
123.08059	1.2
125.09636	1.0
128.06276	0.9
129.06984	7.5
131.04884	1.4
131.08574	9.0
133.06487	3.6
133.10121	5.0
139.00253	51.1
140.00623	1.1
142.07770	2.7
145.10167	1.6
147.08015	2.7
147.11659	8.9
149.09592	5.2
154.48663	0.8
157.01294	2.6
157.10135	9.0
159.11765	1.1
165.12688	2.1
169.10107	1.5
175.11191	11.3
182.99228	3.9
183.11716	1.8
185.00842	2.7
185.13306	1.7
187.03865	1.2
193.12227	48.4
194.12694	1.9
195.11684	1.0
197.13103	1.0
199.14882	1.2
201.00243	1.8
203.10431	1.0
206.09462	1.0
206.73524	0.9
211.03876	1.4
211.13231	10.3
211.14856	1.0
215.10599	1.1
225.09093	1.1
225.16328	1.1
229.04994	1.8
239.17978	1.5
253.08626	1.5
257.04428	73.4
258.04779	4.9
267.15909	10.2
268.13358	1.2
280.48080	1.0
282.78519	1.3
285.03906	91.7
285.16519	5.5
285.21683	1.7
286.04312	7.1
286.07153	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	285.1848
Annotation	Methyl oropheate
Peak:m/z	Relative Intensity
52.40786	0.6
52.51406	0.6
53.03954	1.1
54.80768	0.6
55.05509	5.6
57.03432	0.7
57.07066	1.6
59.04996	0.6
67.05506	6.8
69.07058	5.3
71.04987	1.0
77.03889	0.7
79.05486	5.6
81.07053	8.4
83.04955	1.4
83.08605	2.6
85.06518	1.0
91.05475	12.9
93.07042	9.4
95.04946	1.6
95.08601	10.7
97.06519	1.0
105.07021	18.7
107.05007	0.8
107.08588	11.7
108.13530	0.6
109.06466	1.7
109.10151	6.0
111.04450	1.0
111.08057	0.8
115.05430	1.5
116.06197	0.8
117.07013	6.0
119.04880	0.8
119.08576	20.6
121.06467	1.4
121.10127	10.1
123.08004	1.4
123.11726	0.8
125.05970	0.7
128.06195	1.8
129.06987	3.5
130.07777	1.9
131.08571	15.0
133.06459	0.8
133.10120	19.8
134.10794	0.7
135.04391	0.8
135.08058	1.5
135.11697	2.8
137.05916	1.7
139.00252	1.1
139.07553	1.0
141.06989	2.4
142.07790	4.5
143.08545	11.7
144.09308	1.1
145.06483	1.2
145.10114	21.7
146.10864	0.7
147.08043	1.7
147.11668	11.6
149.06015	0.7
149.09634	1.4
151.07524	1.5
153.06998	1.1
154.07742	1.9
155.08536	9.5
156.09357	5.5
157.10117	15.4
158.10820	1.3
159.08026	2.0
159.11687	16.9
160.12408	1.0
161.09644	1.9
161.13257	2.7
163.07526	1.5
163.11150	1.1
165.09096	1.5
167.08565	1.9
168.09317	3.6
169.10117	13.4
170.10901	5.0
171.07994	0.6
171.11674	14.3
172.12453	2.6
173.09593	3.8
173.13254	17.6
175.11159	1.9
175.14851	0.8
176.46353	0.6
177.09093	3.1
181.10120	4.3
182.10841	3.2
183.08101	1.1
183.11693	21.5
183.13322	1.1
184.12381	3.0
185.09622	2.1
185.13237	11.3
186.14024	0.9
187.07568	1.2
187.11227	3.7
187.14798	18.8
188.15536	8.8
189.09000	1.2
191.10667	1.6
193.10075	1.3
195.11739	4.7
196.08904	1.2
196.12486	3.1
197.09622	2.5
197.13229	16.1
198.13882	1.3
199.11237	1.5
199.14804	6.1
201.09103	2.9
201.12778	1.8
201.16393	1.0
203.10631	2.7
205.12177	0.9
206.10847	1.3
207.11751	1.2
208.12375	1.1
209.09575	0.9
209.13223	2.4
210.10420	0.8
210.13908	3.7
211.11168	2.7
211.14827	7.7
213.16394	1.7
215.10664	5.7
217.12160	2.4
219.15190	0.6
221.13255	1.5
223.11194	1.6
223.14799	2.5
224.11865	1.7
224.15556	2.1
225.12915	3.5
225.16348	14.8
226.16930	1.1
227.14256	1.2
229.12189	7.2
229.19304	0.7
230.12682	1.0
239.14406	4.0
239.17929	18.0
240.23401	0.7
241.19577	4.1
243.13812	3.5
243.17502	1.3
249.16411	1.6
252.11453	0.8
257.04382	1.1
257.15372	0.8
257.18936	4.0
258.32285	0.8
267.13763	3.5
267.17410	11.3
270.04880	1.3
285.03943	1.9
285.15073	6.5
285.18463	100.0
286.18707	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	285.1849
Annotation	Methyl oropheate
Peak:m/z	Relative Intensity
53.03936	2.7
55.05513	8.3
57.03420	3.8
64.25897	0.8
65.03922	1.3
67.05502	17.3
68.99785	6.3
69.03422	1.2
69.07066	7.1
69.30093	4.8
71.04973	2.5
77.03905	1.7
78.24723	0.8
78.33450	1.0
79.05491	31.6
80.05814	0.8
81.03414	32.8
81.07052	50.3
83.04972	1.3
83.08601	8.3
85.02892	3.0
85.06532	1.6
91.05476	16.3
93.07041	11.6
95.04961	11.1
95.08604	22.6
97.02879	0.9
97.06515	6.2
103.05450	2.4
105.04472	1.3
105.07024	82.0
107.04929	4.9
107.08586	8.6
109.06488	2.2
109.10142	9.4
111.04439	1.2
111.08092	2.5
111.62801	0.9
115.05394	1.3
116.06239	0.9
117.07024	5.6
119.04954	1.5
119.08571	33.7
121.02834	1.5
121.06502	5.1
121.10117	4.6
123.08098	1.6
125.05985	24.6
128.06194	2.4
129.06978	7.8
130.07770	1.2
131.08565	14.2
133.10124	17.5
135.11682	1.9
137.09657	0.9
139.00252	2.5
141.07014	2.5
142.07780	5.6
143.08551	12.7
144.09297	2.9
145.06438	0.9
145.10118	15.7
147.08023	1.2
147.11690	10.4
149.09618	2.2
154.07707	1.3
155.08548	9.2
155.12895	0.9
156.09319	8.2
157.10124	23.5
158.10860	2.0
159.08020	1.3
159.11684	19.1
160.12132	1.1
161.13242	13.9
164.98180	0.9
165.07051	1.1
167.08612	2.0
168.09312	2.4
169.10126	13.1
170.10896	5.8
171.08063	1.4
171.11687	17.4
172.12408	3.9
173.09656	1.0
173.13240	10.6
175.11176	4.0
175.14714	1.1
177.09077	1.0
179.08534	2.2
179.10675	1.2
181.10077	4.8
182.10861	3.2
182.99237	7.2
183.11690	22.3
184.12390	1.6
185.09601	1.7
185.13228	11.4
187.11139	1.4
187.14830	3.3
189.12556	1.0
191.10614	1.6
193.10159	3.6
193.12242	13.9
194.10924	2.3
195.11656	4.6
196.12447	2.4
197.09598	2.4
197.13229	15.4
197.14885	1.3
199.11194	1.4
199.14781	6.0
201.00420	1.0
201.12671	1.3
203.10657	2.1
205.12247	6.7
207.11769	2.0
208.12407	2.2
209.13211	3.6
210.14017	2.9
211.11163	2.8
211.13097	2.1
211.14926	6.8
213.16304	1.5
215.10640	5.1
215.14381	1.0
217.12209	7.4
219.11638	1.2
219.13748	1.6
221.13243	1.7
222.42401	0.9
223.01515	1.1
223.14784	10.0
224.15622	1.4
225.12691	2.4
225.16330	5.9
229.12219	17.6
229.70108	0.9
231.13817	3.0
239.14246	1.6
239.17921	18.6
241.19420	1.5
243.13805	7.6
249.16466	4.7
253.08511	1.5
255.13792	0.9
257.04410	4.7
257.15387	2.4
257.18964	3.2
267.17575	19.3
285.03958	4.6
285.18484	100.0
286.04706	2.7
286.18887	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	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
50.11295	0.8
51.99819	0.9
53.03949	1.0
55.05510	6.6
56.52376	0.8
57.07082	1.0
60.08148	1.6
63.54695	0.8
67.05497	15.4
69.03414	1.8
69.07063	9.9
79.05486	12.0
81.07050	29.4
83.04952	2.2
83.08604	3.2
85.06549	1.2
91.05479	14.3
92.65514	0.8
93.07033	21.4
95.04965	9.9
95.08598	32.1
95.09212	1.8
97.06538	5.0
97.10148	1.4
99.08099	0.9
104.69074	0.9
105.04513	0.8
105.07024	28.5
107.08591	23.3
109.06506	6.0
109.10146	16.0
109.20561	0.9
111.08091	1.3
117.06982	5.9
119.08574	26.7
121.06487	2.7
121.10139	16.4
123.08050	3.0
123.11662	4.1
125.09597	0.8
128.06183	2.0
129.07005	3.1
130.07788	1.2
131.08557	16.2
132.08908	1.7
133.10123	20.4
135.08041	3.0
135.11702	9.5
137.09592	3.5
141.06889	1.6
142.07748	3.0
143.08548	11.1
144.09277	2.1
145.10109	18.7
145.75998	0.9
147.08078	2.1
147.11678	15.0
149.09593	2.8
149.13234	6.9
151.11171	1.1
155.08545	4.8
156.09337	1.9
157.10123	12.6
159.08017	1.0
159.11678	19.2
160.12201	1.1
161.09639	3.3
161.13214	9.5
163.11136	2.0
163.14859	1.6
168.09299	1.3
169.10089	7.8
171.11670	10.9
172.09412	0.8
172.12483	0.9
173.09726	1.4
173.13257	12.5
175.11189	4.2
175.14772	6.4
177.12758	2.6
177.16452	0.9
181.10075	1.1
182.10826	1.5
183.11665	8.7
185.13248	8.4
187.11118	1.3
187.14799	9.3
189.12714	3.0
189.16373	4.0
191.14270	2.3
196.12456	2.1
197.13222	8.0
199.14839	7.5
201.12773	1.2
201.16379	7.5
203.14290	2.4
203.17906	1.0
211.14792	10.5
212.15411	1.0
213.16336	3.1
215.14308	1.4
215.17911	1.6
217.15968	1.0
225.16379	8.0
227.17938	5.5
229.15938	4.9
239.17906	2.9
241.19493	10.0
243.17430	3.0
243.21005	1.7
243.34990	0.9
257.18839	1.3
257.20023	0.9
257.22672	9.2
267.21051	30.5
268.21396	1.3
285.22092	100.0
285.33282	5.7
286.22397	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
51.21933	1.0
55.05509	11.1
57.07082	1.3
67.05504	13.9
69.03415	1.6
69.07068	11.1
71.04987	1.3
71.05721	1.5
79.05477	11.7
81.07056	29.8
83.04980	2.8
83.08614	4.1
85.06534	1.6
91.05484	12.1
93.07044	22.4
95.04969	12.9
95.08605	24.9
97.06514	3.6
97.10168	2.7
105.06348	2.1
105.07028	30.7
107.07920	2.0
107.08591	23.1
109.06522	6.9
109.10155	15.5
111.08083	2.6
117.07008	5.0
119.08569	27.3
121.06541	2.5
121.10152	14.1
123.08044	3.5
123.11677	4.3
125.09652	1.8
128.06203	2.0
129.06999	4.8
131.08560	14.1
133.10130	18.1
134.37616	1.2
135.08041	3.9
135.11691	8.1
141.06966	2.4
142.07794	2.7
143.08545	11.1
144.09366	1.1
145.10117	22.9
147.08003	1.0
147.11684	17.9
149.09604	1.6
149.13281	5.7
155.08554	7.3
156.09312	3.0
157.10133	12.3
159.11685	21.2
161.09636	3.5
161.13246	10.8
163.11153	3.4
167.08553	1.3
167.87418	1.1
169.10114	9.3
171.11693	15.0
173.13257	12.2
175.11195	3.8
175.14813	5.1
177.12776	3.6
181.10052	1.5
182.10916	1.9
183.11696	7.2
184.12410	1.2
185.13242	10.5
187.11354	1.5
187.14813	11.0
189.12743	3.3
189.16365	4.1
191.14357	2.4
197.13268	9.0
199.14801	12.5
201.12691	1.5
201.16360	8.7
203.14305	3.2
209.13261	1.7
211.14821	11.9
213.16400	4.7
215.14294	3.5
215.17891	2.2
225.16429	7.3
227.18007	6.6
229.15929	3.8
239.17967	2.6
241.19487	8.6
243.17473	2.4
243.21054	1.5
257.22522	6.0
267.21063	34.0
268.21466	1.9
285.18900	3.5
285.22110	100.0
286.22406	5.4
286.30835	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	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03936	1.5
55.01863	1.0
55.05259	1.0
55.05510	11.8
57.03424	2.2
57.07066	2.4
65.03928	1.0
67.05495	17.8
68.99766	5.4
69.03430	2.2
69.07059	11.2
69.95192	1.1
69.95515	1.8
70.95799	0.9
71.04971	2.0
75.63359	0.8
77.03918	1.3
79.05492	17.9
81.03406	16.7
81.07051	26.3
83.04951	2.2
83.08620	7.6
85.02899	1.8
85.06526	1.5
91.05466	17.9
93.07037	28.1
95.04960	5.8
95.08595	27.4
97.06513	3.2
97.10160	2.6
98.23580	1.0
103.05438	1.5
104.17036	0.9
105.06347	1.9
105.07018	31.2
107.04916	1.7
107.07832	1.3
107.08578	24.0
109.06507	2.0
109.10149	11.5
111.08064	3.0
115.05420	1.8
116.06231	1.0
117.07034	7.3
119.04952	1.1
119.08569	30.8
121.02859	1.2
121.06471	2.2
121.10140	14.7
123.08064	1.7
123.11713	4.2
125.09678	1.2
128.06198	2.5
129.06976	6.6
130.03175	1.0
130.07796	2.0
131.08554	19.4
131.85416	0.9
133.10121	29.8
135.08092	1.3
135.11661	8.4
135.38643	0.9
137.09647	1.6
138.01855	3.7
139.00272	3.4
141.06967	3.8
142.07722	5.0
143.08548	11.7
144.09325	2.9
145.08984	1.2
145.10115	21.5
147.08028	0.9
147.11674	15.0
149.09627	2.0
149.13271	4.3
154.07787	1.1
155.08516	8.7
156.09328	6.1
157.10117	20.2
158.10890	3.5
159.08043	1.1
159.11673	22.4
160.12296	1.5
161.09607	1.2
161.13260	7.8
163.11171	1.7
163.14777	1.8
165.07011	1.1
166.01335	3.0
167.08507	2.4
168.09317	2.1
169.10132	12.1
170.10852	4.4
171.11674	18.8
172.12383	2.4
173.13246	22.4
175.11174	3.6
175.14818	5.1
177.12727	2.7
181.10083	3.1
182.10861	4.3
182.99187	1.5
183.11671	13.4
184.12411	2.8
185.13243	16.1
186.13902	1.5
187.11201	1.4
187.14803	13.2
188.15593	2.1
189.12688	2.0
189.16386	2.6
193.12221	7.3
195.11642	4.1
196.12454	5.2
197.13223	14.5
198.13705	1.0
199.14813	8.4
201.12712	1.8
201.16364	7.6
202.30101	0.9
203.03357	1.5
203.14287	2.5
203.17999	1.5
205.15887	2.3
209.13306	2.4
210.13968	1.6
211.13126	1.3
211.14818	15.0
212.15401	1.3
213.16391	6.5
215.14314	5.4
215.17905	6.6
217.15915	1.6
223.14751	2.7
224.15474	1.3
225.16354	8.4
227.17937	3.9
229.15782	4.4
237.16412	2.1
238.17084	1.1
239.17917	5.2
241.19432	2.2
243.17455	2.8
252.18633	1.9
255.21077	1.4
257.04446	9.5
257.22684	4.7
262.61777	0.9
267.16034	1.9
267.21057	23.0
268.21286	1.8
285.03891	6.7
285.22095	100.0
286.22443	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	286.0709
Annotation	Marcanine D
Peak:m/z	Relative Intensity
54.03452	0.5
55.01855	0.3
65.03923	0.2
66.41612	0.1
67.05482	0.2
68.05000	0.2
68.99782	2.0
69.07047	0.2
70.00099	0.3
79.05442	0.2
79.91647	0.1
80.01360	0.2
81.03410	1.0
81.07024	0.2
82.03022	0.2
82.03691	0.3
83.08607	0.3
83.97579	0.1
85.02878	0.6
86.09701	2.2
91.05455	0.8
92.05804	0.2
93.07038	0.2
94.02922	0.3
95.01313	0.9
95.04955	0.3
95.08594	0.2
96.04443	0.2
96.05292	0.1
97.10097	0.1
102.07851	0.2
105.07018	0.3
111.04424	0.2
112.03968	0.2
112.10595	0.1
113.02348	2.2
119.04931	2.4
119.08513	0.2
120.05264	0.4
121.02853	6.5
121.06492	0.2
121.10077	0.2
122.02380	3.8
122.03199	0.6
123.00780	1.4
124.03969	0.4
128.10698	1.0
128.45807	0.2
131.04929	0.7
131.08531	0.2
132.00734	0.4
132.10208	0.6
138.01833	0.2
139.00258	1.3
140.00562	0.8
140.03410	3.7
141.01787	0.3
142.99216	0.2
145.02826	1.0
150.01855	4.3
150.59929	0.1
151.00269	0.6
153.01772	0.4
156.10172	0.3
157.01328	0.1
157.06483	1.3
163.04016	0.2
166.06424	0.2
166.99854	0.2
167.02133	0.5
167.04842	0.2
168.02895	3.0
169.01320	0.5
169.02901	0.4
171.04445	0.3
172.07494	0.4
176.11459	0.2
184.07628	0.4
185.00803	0.5
185.05992	0.4
186.01440	0.2
194.06102	0.4
194.12579	0.3
197.05977	0.2
212.07034	1.3
212.13725	0.3
213.05493	0.7
227.03349	0.2
229.05005	0.4
240.06514	2.3
241.04933	3.1
241.07245	0.3
245.04419	5.2
246.04890	0.2
257.04477	0.2
258.04770	2.7
258.07474	0.2
268.06012	4.7
269.04370	3.1
269.06860	0.3
270.05017	0.3
285.06284	1.2
286.04404	4.6
286.07053	100.0
287.05417	4.4
287.07721	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	286.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
53.94514	0.2
56.96550	0.4
68.05020	0.2
69.03419	0.6
70.06580	1.9
71.15600	0.2
73.02868	0.2
76.28519	0.2
78.03433	1.8
80.05013	2.9
81.03408	0.9
82.81932	0.2
84.08096	0.2
85.02888	1.6
86.09699	0.3
96.04486	2.3
97.02882	0.6
99.04423	0.3
103.05465	0.2
106.02906	7.3
107.03239	0.2
109.02867	0.9
112.07605	0.4
116.07056	0.3
120.08061	0.9
124.03940	100.0
125.04283	1.5
127.03918	0.7
132.91100	0.2
148.50934	0.2
156.97467	0.6
174.98508	0.6
207.96454	0.2
214.20419	0.2
222.04434	0.3
240.02802	0.3
240.05269	0.2
250.07057	2.4
259.02155	0.2
268.08142	1.2
286.03680	1.2
286.09177	29.1
287.09677	0.9
304.04272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.092
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03930	0.5
54.60484	0.2
56.96558	0.2
63.00019	0.2
69.03412	1.2
69.08602	0.5
69.09003	0.9
70.06594	1.4
72.04509	0.2
72.08135	0.9
73.02896	0.3
78.03445	2.4
79.04251	0.2
80.05009	3.8
81.03411	1.5
84.13289	0.2
85.02898	3.8
86.09689	0.6
86.29733	0.2
87.04456	0.3
96.04484	3.2
97.02892	0.7
98.22719	0.5
99.04479	0.5
106.02905	12.3
109.02855	1.6
116.07105	1.1
124.03940	100.0
125.04240	1.4
127.03889	1.6
145.04980	0.3
156.97585	0.2
196.05969	0.2
240.23219	0.5
250.07137	4.2
268.08142	2.6
278.99683	0.2
286.09180	32.7
287.05585	0.6
287.09692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1396
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
53.13697	0.4
55.05516	0.7
56.05017	0.4
59.04995	0.6
61.02921	1.6
68.05013	0.6
70.06583	100.0
70.85822	0.7
71.04981	1.5
71.06930	1.0
72.08153	1.0
79.05505	0.9
80.04998	0.7
81.07043	3.7
83.06107	2.9
84.04519	0.9
84.08121	0.7
86.09673	0.6
93.04502	1.8
95.06078	3.0
97.97086	0.4
98.97567	0.8
102.96825	0.6
103.85738	0.4
110.07154	29.5
111.05549	0.6
112.07591	86.9
113.07938	1.1
116.07079	1.2
124.03939	12.8
128.43181	0.4
129.06583	0.6
140.07047	48.2
141.07397	0.6
147.07622	1.4
148.12607	0.4
156.07655	3.4
156.08752	0.4
156.09317	0.3
157.09708	3.8
163.12283	13.1
166.06018	0.7
179.00716	1.2
179.39143	0.4
185.09192	0.6
187.10498	0.4
188.07690	0.8
190.13412	2.3
201.08643	0.5
208.14444	3.7
221.01663	1.7
236.13919	2.1
240.13405	0.7
240.17052	2.4
244.12993	0.7
245.01685	0.7
254.14973	5.4
263.02847	6.4
286.09152	1.7
286.13974	2.7
286.17523	17.5
287.11191	2.0
287.18027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57293	0.7
55.05506	2.4
56.05025	1.2
56.96558	2.5
57.03429	0.9
59.04992	1.9
61.02918	3.8
68.05029	1.6
70.06584	100.0
71.04982	4.5
71.06935	1.6
72.08143	3.0
79.05494	2.1
81.07051	9.8
82.05328	0.9
83.06096	10.3
84.04498	1.3
84.08120	1.3
86.09715	1.5
87.08096	1.0
93.04513	7.4
95.04916	0.7
95.06082	15.3
97.99129	0.9
98.97569	3.4
98.98451	0.9
102.96865	2.4
107.06039	1.6
107.54777	0.9
110.07154	94.3
111.05556	1.4
111.07444	1.2
112.07592	85.5
112.08779	2.3
113.07939	1.8
116.07085	1.8
116.98618	1.9
119.01915	2.9
120.02020	0.8
120.97862	1.9
121.01627	1.9
121.07628	1.1
124.03946	20.5
124.07573	1.4
126.16449	0.9
134.99692	1.3
138.98912	1.0
140.07051	48.6
141.07503	1.0
147.07677	1.3
156.07689	11.3
157.09718	3.4
163.12283	46.0
166.06094	1.2
173.09222	0.8
177.00914	0.8
178.01025	0.9
179.00705	5.5
185.09196	1.5
190.13411	6.2
190.95387	1.7
193.13457	1.6
205.02403	0.8
208.14403	10.2
215.09799	1.0
217.98753	0.8
219.01904	3.5
219.03868	1.3
219.11345	2.1
220.01996	0.9
221.01804	10.2
235.99889	2.2
236.13889	6.9
240.13269	1.0
240.16980	6.4
240.23215	1.6
241.15421	0.9
245.01607	3.9
247.99541	0.8
254.14955	18.4
261.03146	0.8
262.03125	2.9
263.02835	49.3
264.02994	2.9
268.12964	1.2
281.00125	2.6
286.09091	2.4
286.14087	3.0
286.17545	52.2
287.05191	1.7
287.10928	1.6
287.17776	1.4
287.35046	0.8
304.01514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.05045	0.2
57.07071	13.8
58.06594	20.5
62.05772	0.3
62.06082	4.2
63.27702	0.2
63.67596	0.2
66.87217	0.2
68.99784	0.9
69.07058	0.6
69.20686	1.0
71.08624	8.6
72.08150	1.6
74.06100	0.3
85.10184	0.8
87.04462	1.6
91.05473	0.3
93.07038	0.2
95.08598	0.2
98.22705	0.5
107.08612	0.3
118.08642	9.5
119.04934	0.4
121.02839	0.3
121.06533	0.4
123.00825	0.3
139.00229	0.2
156.17462	4.2
170.19054	0.4
172.16969	0.5
174.18513	12.8
175.18791	0.4
185.00816	0.6
212.23584	0.2
226.25261	0.5
240.23201	0.2
242.28319	0.4
249.59369	0.2
258.04764	0.5
268.26294	0.3
268.29913	1.1
269.04446	0.2
271.05435	0.3
286.04428	0.7
286.07349	0.5
286.27423	36.4
286.31009	100.0
287.05420	5.0
287.20004	2.4
287.23047	0.3
287.27737	1.3
287.31363	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	287.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.6
55.01871	0.4
56.40961	0.3
67.05483	0.5
68.99789	23.9
69.24242	1.9
70.06557	0.3
71.00807	0.3
78.25067	0.3
78.99493	0.4
79.05462	0.5
79.68243	0.3
81.03402	0.3
81.07055	0.9
85.02901	15.3
86.09660	0.4
91.05488	1.4
93.07034	0.7
95.08613	0.9
103.05502	0.4
105.07019	0.7
107.04964	0.4
107.08578	0.4
109.10120	0.5
110.96681	0.4
111.00809	0.7
113.02362	100.0
114.02701	1.5
119.04922	2.2
119.08598	0.4
121.02887	0.6
121.06499	7.3
121.07330	0.6
121.10156	0.5
123.00786	2.0
124.98230	1.0
127.01554	2.8
128.97702	2.1
133.10147	0.5
139.00256	4.0
142.99261	8.8
145.04959	1.8
145.10110	0.6
153.01848	0.4
157.00851	1.8
166.99776	2.1
167.02031	0.3
168.02901	0.7
169.01306	2.1
185.00809	17.8
213.05533	0.3
231.06586	0.8
241.05006	1.2
245.04483	0.5
259.05923	1.0
269.04480	0.6
272.47482	0.4
278.02597	0.4
281.61276	0.3
287.05487	33.5
287.20181	0.7
288.05911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
68.99786	6.4
69.70667	0.7
71.01350	0.3
85.02878	0.5
91.05473	6.7
95.01323	1.7
98.22738	0.3
103.05434	0.8
105.03376	0.5
113.02289	0.4
119.04928	4.2
121.02842	1.7
121.06500	1.1
123.00785	8.5
124.01138	0.2
131.04904	0.6
139.00249	3.1
141.01799	0.9
141.46960	0.2
145.02806	0.4
151.00250	2.5
155.04881	0.2
157.06479	0.3
166.99706	0.6
168.02916	0.6
169.01312	30.7
170.01669	0.4
171.04465	0.3
183.02850	0.8
185.00804	3.1
185.05989	0.3
201.03815	0.3
213.05371	0.4
223.03886	0.8
225.05498	0.4
227.03273	0.3
241.04926	6.2
242.05319	0.4
245.04489	0.6
259.05981	1.0
269.04410	5.0
269.07251	0.4
272.05743	1.0
287.05466	100.0
288.05801	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01876	0.1
55.28910	0.1
56.42081	0.1
64.30505	0.1
65.03927	0.2
68.99779	0.8
69.54409	0.4
71.01351	0.1
73.72452	0.1
74.06647	0.1
78.95586	0.1
85.02926	0.1
91.05467	1.9
95.01328	1.8
95.97175	0.1
113.02391	0.1
119.04934	7.9
121.02856	2.1
123.00781	11.5
124.01173	0.1
131.04950	0.2
139.00218	0.1
141.01822	0.9
141.06985	0.1
145.02802	0.5
145.19406	0.1
147.04388	0.2
151.00267	0.6
153.01894	0.1
157.06450	0.7
167.04857	0.2
169.01311	4.6
171.04376	0.3
185.00807	0.3
185.05986	0.3
187.02304	0.1
195.04388	0.4
199.03957	0.1
213.05421	0.6
223.03908	0.3
227.03528	0.1
241.04912	1.3
245.04451	0.8
259.06021	0.3
269.04410	3.2
269.07324	0.2
270.04874	0.2
272.03574	0.1
286.04700	0.2
287.05466	100.0
288.05795	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35743	0.1
55.01863	0.3
57.32109	0.1
65.03938	0.2
68.77990	0.1
68.99785	2.8
69.60110	0.4
71.01316	0.2
83.01318	0.1
85.02882	0.1
86.09690	0.2
91.04937	0.2
91.05474	1.8
91.11929	0.1
95.01317	1.9
119.04931	7.9
121.02856	2.3
121.06496	0.7
123.00779	12.5
131.04964	0.2
139.00276	0.3
141.01813	0.9
145.02786	0.4
146.45288	0.1
146.51706	0.1
147.04367	0.2
151.00250	0.5
157.06505	0.7
159.24408	0.1
166.99727	0.2
167.04912	0.2
168.03000	0.2
169.01305	5.0
171.04398	0.2
185.00813	1.8
185.05960	0.3
195.04369	0.5
213.05460	0.6
223.03874	0.4
241.04892	1.4
245.04330	1.1
259.05991	0.6
269.04401	3.6
270.05014	0.3
286.04391	0.2
287.05460	100.0
288.05792	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.11331	0.1
57.58043	0.1
61.97248	0.1
66.44807	0.1
66.81750	0.1
67.01860	1.7
68.50163	0.1
68.56400	0.1
68.99785	1.3
69.26997	0.5
69.27409	0.2
70.95322	0.1
79.05466	0.2
89.03897	0.7
98.23414	0.3
101.33488	0.1
107.04958	0.2
117.03365	0.7
118.99372	0.1
119.01318	0.1
129.01848	0.2
134.87611	0.1
135.04402	4.1
137.02359	1.1
137.03285	0.2
153.01816	10.3
161.02327	1.2
171.02850	0.4
179.03418	0.5
185.00836	0.2
185.05928	0.3
199.03928	0.2
203.03392	0.3
208.28615	0.1
213.05414	0.4
219.06526	0.2
231.06500	0.1
241.04912	1.3
245.04509	0.2
263.05542	0.2
269.04410	0.8
287.05466	100.0
288.05807	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Tournefolal
Peak:m/z	Relative Intensity
51.19519	0.5
59.68308	0.4
61.35987	0.4
63.25399	0.4
67.01849	0.8
68.99789	29.1
69.51488	1.0
69.51880	1.2
69.93619	0.5
71.01341	0.5
74.05772	0.5
75.38539	0.4
87.00824	0.7
88.49815	0.5
91.05466	0.5
95.01306	2.0
95.04966	0.6
103.05469	7.9
105.03394	7.0
105.07017	0.9
111.00803	2.3
114.18832	0.4
114.56223	0.5
115.02837	0.5
115.05476	0.7
117.07008	0.5
123.00792	3.8
127.05439	1.3
129.03311	0.4
131.04951	2.2
136.10606	0.4
139.00264	38.2
139.05379	1.2
140.00531	0.5
141.01813	0.6
141.06993	3.2
145.06461	0.5
153.03339	1.0
155.04901	2.2
157.01355	1.5
157.06438	1.4
166.99741	1.1
167.04951	0.6
169.01300	3.1
171.04320	0.5
179.66370	0.4
185.00826	1.7
195.04439	1.5
197.05981	4.8
201.00316	11.4
202.00706	0.5
213.05473	3.6
219.24454	0.4
223.03905	8.0
225.05469	7.8
241.04953	100.0
242.05244	5.0
243.06544	3.6
269.04446	71.2
270.04761	2.5
287.05490	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	287.055
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
55.05497	0.4
57.03448	0.4
58.06552	0.5
65.03929	0.5
67.05518	0.5
68.99788	100.0
69.03426	0.6
70.00115	0.9
70.06618	0.6
71.01340	0.7
81.07075	0.7
83.08621	0.3
83.97197	0.4
85.26734	0.3
91.05471	5.2
92.99764	0.9
93.07041	1.9
95.01316	0.9
95.04967	0.8
95.08625	0.3
103.05450	2.1
105.03391	0.9
105.07039	0.4
107.04962	1.5
109.02876	1.1
111.00783	2.7
111.36880	0.4
111.72105	0.4
114.34979	0.5
119.04924	3.1
120.05768	0.4
121.02881	1.5
121.06496	27.2
122.06805	0.5
123.00777	1.6
131.04912	1.4
135.04439	0.6
137.02342	0.9
138.01910	0.6
139.00259	14.4
141.01787	0.4
145.13350	0.4
147.04407	0.8
153.01830	5.8
155.04881	0.4
157.01332	1.3
157.06526	0.6
165.01865	2.2
166.99750	8.6
167.08539	0.5
168.02962	0.5
169.01335	11.6
171.04425	3.6
183.02930	1.9
184.02364	0.4
185.00807	70.5
186.01176	1.3
187.03900	0.9
189.04430	0.8
196.16974	0.5
201.00301	2.9
201.03981	0.6
208.02214	0.4
213.05428	1.0
223.03911	0.5
225.05408	0.6
231.06502	3.1
241.04955	8.4
245.04433	0.5
259.06070	5.3
269.04465	5.3
272.05713	1.1
286.24857	0.4
287.05469	54.0
288.05844	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
55.05500	0.5
67.01861	0.7
67.05487	0.3
68.26264	0.3
68.99786	33.3
69.03394	0.3
69.07050	0.4
69.13673	1.9
70.06571	0.3
74.09076	0.2
74.34644	0.3
77.38713	0.3
79.05490	0.4
81.03405	1.1
81.07042	0.4
82.03755	0.8
83.08624	0.5
86.09689	0.4
89.03925	0.4
91.05481	1.3
92.99783	0.4
93.07046	0.8
95.01337	0.7
95.04989	0.4
97.06500	0.3
98.22684	0.6
103.05450	0.6
107.04916	0.4
109.02889	0.3
111.00806	0.8
112.03914	0.3
117.03358	0.4
119.04930	3.6
121.02847	1.4
121.06502	10.8
123.00771	2.3
129.01772	0.4
129.07027	0.3
133.10147	0.3
135.04399	2.5
137.02330	0.7
139.00256	5.0
140.03418	2.4
142.03200	0.4
145.02870	0.5
147.04329	0.3
151.00371	0.3
153.01814	6.0
157.06436	0.8
161.02332	0.7
165.01817	0.6
166.99725	2.1
167.02092	0.6
168.02910	8.9
169.01295	3.7
171.02827	0.4
185.00801	26.8
186.01326	0.4
195.12804	0.3
213.05405	1.0
231.06494	1.2
241.04861	1.9
245.04385	0.5
259.06030	2.2
269.04388	1.3
287.05469	100.0
288.05792	3.4
288.08701	0.8
304.77115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
57.49753	0.3
66.77641	0.2
68.99788	3.9
69.32953	1.3
78.82339	0.2
91.05451	1.7
95.01337	1.7
103.05401	0.3
104.98036	0.3
105.03349	0.4
119.04935	6.4
121.02872	1.9
121.06529	0.5
123.00787	9.8
131.04903	0.5
139.00255	2.1
141.01831	0.7
145.02823	0.4
151.00218	0.5
157.06464	0.5
166.99744	0.2
168.02902	0.5
169.01311	4.4
171.04436	0.5
183.02882	0.7
185.00829	1.9
195.04361	0.4
200.01881	0.4
213.05478	0.5
223.03862	0.6
236.27644	0.3
241.04933	6.1
245.04497	0.8
259.06064	0.4
269.04413	6.9
287.05487	100.0
288.05835	3.1
304.01355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
58.83915	0.2
65.00257	0.2
65.26219	0.2
67.01855	0.4
68.32768	0.2
68.99789	14.4
69.03417	0.3
69.64084	0.7
69.64451	0.5
73.49696	0.2
77.03928	0.3
79.05467	0.5
85.00050	0.2
91.05482	1.8
93.07074	0.3
95.01324	0.7
103.05460	0.8
105.03382	0.7
105.04498	0.2
107.04246	0.4
107.04952	4.9
109.38854	0.2
111.00807	0.7
119.04939	3.6
121.02885	1.2
121.06504	4.2
121.36447	0.2
123.00774	3.1
129.06998	0.2
131.04938	0.3
135.04402	1.4
137.02232	0.3
139.00253	4.8
139.01273	0.4
141.01784	0.4
145.02855	0.6
153.01820	29.7
154.02176	0.7
157.01318	0.3
157.06458	0.4
166.99701	1.9
168.02911	0.5
169.01318	3.5
171.02917	0.2
179.18018	0.2
183.02855	1.0
185.00815	10.3
195.04543	0.4
201.00241	0.3
213.05421	0.4
231.06441	0.7
241.04944	6.3
245.04379	0.6
257.64706	0.3
259.05991	1.0
260.26831	0.3
269.04434	5.4
270.04877	0.4
287.05484	100.0
288.05817	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
60.27024	0.1
67.01859	1.6
68.82219	0.1
68.99784	1.4
69.60574	0.5
75.88923	0.1
77.03925	0.1
79.05523	0.1
81.03400	0.2
89.03912	0.7
98.22810	0.2
103.37735	0.1
107.04931	0.2
111.00793	0.3
115.05370	0.1
117.03390	0.6
129.01836	0.3
129.06993	0.2
135.04413	4.1
137.02347	1.2
137.03400	0.2
146.82759	0.1
153.01819	11.0
154.02197	0.2
161.02327	1.2
171.02911	0.6
171.04259	0.2
179.03416	0.6
185.05933	0.2
203.03316	0.2
213.05437	0.4
241.04944	1.1
254.63608	0.1
259.06024	0.2
263.05478	0.1
269.04410	1.1
287.05472	100.0
288.05780	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	287.0549
Annotation	Tournefolal
Peak:m/z	Relative Intensity
56.06466	0.4
60.66572	0.4
67.01862	0.6
68.99786	42.1
69.32731	0.7
69.33140	1.5
71.01350	0.4
77.03900	0.5
91.05482	0.6
92.99760	0.6
95.01322	1.9
95.04916	0.6
103.05470	7.8
105.03394	7.1
111.00773	1.6
115.05460	0.7
117.06966	0.5
119.04934	0.6
121.06494	4.1
123.00800	2.3
127.05402	0.9
131.04941	1.2
139.00256	45.7
139.05415	0.9
140.00558	1.0
141.06987	2.3
145.06483	0.4
147.04399	0.4
153.03290	1.2
155.04900	2.4
157.01350	2.2
157.06485	0.9
166.99779	2.7
167.04913	0.7
169.01346	1.2
169.60017	0.4
169.69669	0.4
171.04475	0.6
183.02882	1.8
185.00818	10.0
195.04439	1.7
197.05986	2.6
201.00317	1.4
213.05473	1.8
223.03885	7.0
225.05440	5.0
241.04939	100.0
242.05283	3.3
243.06531	1.8
259.05933	0.7
260.63956	0.4
269.04428	62.6
270.04776	2.5
287.05472	15.6
288.05847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Tournefolal
Peak:m/z	Relative Intensity
57.50103	0.5
67.01851	1.0
68.99782	30.8
69.94098	1.1
69.94430	1.0
77.61205	0.5
87.00825	1.0
95.01317	2.8
95.04957	0.7
103.05454	9.3
105.03379	7.4
105.07047	1.2
111.00784	2.3
111.86164	0.7
115.05477	1.0
123.00766	3.7
127.05403	1.7
129.03392	0.7
131.04909	1.7
139.00249	42.1
139.05408	1.0
140.00487	0.8
141.01790	0.8
141.06989	2.7
145.06468	0.8
153.03362	1.5
155.04951	2.6
157.01320	2.7
157.06491	1.2
164.08620	0.6
166.99713	1.5
167.04890	0.8
169.01277	2.1
179.22067	0.5
185.00729	1.2
195.04460	1.8
197.05942	4.6
201.00261	10.4
209.27620	0.6
213.05466	3.7
223.03847	7.1
225.05452	9.5
241.04929	100.0
242.05286	2.8
243.06564	3.8
269.04416	68.2
270.04742	2.7
287.05450	14.6
288.05826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10838	0.2
62.54783	0.2
65.03939	0.4
66.48402	0.2
68.99772	0.4
69.70394	1.1
75.26129	0.2
84.21208	0.3
85.02896	0.3
87.32364	0.2
91.05473	7.3
95.01317	1.2
103.05480	0.4
113.02293	0.3
119.04941	2.4
121.02886	1.4
123.00787	6.1
131.04913	0.3
141.01833	0.5
151.00262	2.7
167.69830	0.3
169.01314	35.9
170.01659	0.6
183.02896	0.8
213.05487	0.5
241.04898	1.0
245.04672	0.3
259.05972	1.1
269.04391	1.0
272.05774	1.2
287.05472	100.0
288.05841	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	287.0549
Annotation	Tournefolal
Peak:m/z	Relative Intensity
52.97263	0.5
57.81079	0.4
63.60806	0.4
67.01859	1.0
68.99786	25.4
69.17745	1.7
69.18149	1.0
77.03902	0.6
95.01317	2.4
95.04986	0.6
98.22749	0.8
103.05466	7.4
105.03387	6.8
111.00788	1.5
115.05469	0.6
122.36851	0.4
123.00777	3.2
127.05423	0.9
129.03395	0.5
129.06940	0.6
139.00255	38.0
139.05414	0.7
140.00586	0.5
141.01802	0.9
141.07027	2.5
145.06482	0.5
153.03311	0.5
155.04941	2.1
157.01317	1.3
157.06471	0.7
166.99808	1.1
171.04410	0.7
185.00851	1.1
195.04414	1.4
197.05951	5.2
213.05460	3.6
223.03893	7.7
225.05460	7.6
241.04944	100.0
242.05290	3.5
243.06546	3.0
269.04428	64.7
270.04843	2.2
287.05518	10.2
288.05923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Tournefolal
Peak:m/z	Relative Intensity
53.00320	0.5
68.99790	70.5
69.47546	2.4
70.00130	0.9
71.01347	0.5
72.96079	0.5
75.58740	0.5
88.21263	0.5
91.05460	0.6
92.99802	0.9
93.07013	0.8
95.01334	1.6
95.04987	0.8
101.45615	0.5
103.05473	6.9
105.03378	5.7
111.00819	1.9
112.47205	0.6
121.06503	15.0
123.00790	2.5
127.05494	0.8
129.07083	0.5
131.04958	0.5
134.65619	0.5
139.00261	45.1
139.05421	0.9
140.00624	0.6
141.06999	1.8
153.03455	1.1
155.04933	2.0
157.01335	1.9
157.06435	0.5
165.01836	0.9
166.99762	8.7
167.04840	0.6
168.00346	0.5
169.01331	0.9
171.04355	0.7
173.12518	0.5
181.58328	0.5
183.02905	1.0
185.00818	35.0
186.01285	0.6
195.04413	1.4
197.06021	1.7
201.00365	0.6
213.05486	2.5
223.03874	7.9
225.05460	5.6
228.11115	0.6
231.06577	1.4
241.04947	100.0
242.05305	2.2
243.06592	2.4
259.06052	1.9
269.04437	73.6
270.04828	2.9
287.05508	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	MolPort-039-052-432
Peak:m/z	Relative Intensity
52.04916	0.3
55.01859	0.4
57.07582	0.3
65.03926	1.9
67.01851	0.7
68.99779	14.5
69.03421	6.4
69.32990	1.6
71.01344	1.2
81.03407	1.4
85.02886	1.4
86.12257	0.3
91.05471	2.7
93.03391	1.5
94.95686	0.3
95.01317	11.0
95.04969	0.5
97.02892	0.6
99.00773	0.5
103.05465	5.4
105.03380	1.2
105.07021	3.0
107.04913	0.7
109.02863	1.9
111.00772	0.7
111.04429	2.1
112.01611	0.5
113.02359	5.4
115.03898	0.7
116.91022	0.3
119.04940	2.3
121.02864	3.7
121.03739	0.5
121.06497	1.0
123.00775	8.6
127.03907	0.7
127.05404	0.4
129.06943	0.5
131.04913	15.8
137.02325	8.3
139.00253	9.2
140.01056	0.6
141.00760	0.4
141.01799	1.5
141.07033	0.6
151.00246	0.5
153.01810	2.7
155.03368	2.1
155.04868	0.6
155.08537	0.6
157.01280	0.5
157.06456	0.5
165.01759	1.7
166.99638	0.6
168.00534	4.0
169.01324	3.0
173.05894	0.4
183.02869	100.0
184.03204	1.9
185.00819	2.4
186.01575	2.1
195.04407	0.7
195.08211	0.5
196.61302	0.4
201.00195	0.5
201.03911	11.8
213.05385	0.8
223.03911	1.2
225.05449	0.6
241.04921	18.0
241.08490	1.7
242.05292	0.8
243.06390	0.6
245.04466	0.4
259.05792	0.4
269.04428	12.3
269.07724	1.0
270.04745	0.7
272.05908	0.7
287.05438	43.7
287.09052	21.0
287.23679	0.7
288.05780	2.7
288.09192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Linderone
Peak:m/z	Relative Intensity
55.01872	0.6
55.44379	0.2
56.02645	0.5
66.01108	0.3
67.01868	0.3
68.99784	5.1
69.03426	0.8
69.06180	1.5
71.01351	0.7
79.05479	0.7
84.02126	1.4
85.02899	0.8
87.00837	0.4
91.05480	4.4
95.01328	1.8
99.00823	1.3
99.04457	0.4
100.01604	0.8
100.02575	0.2
103.05465	6.5
104.05822	0.3
105.03385	0.6
105.06997	0.8
107.04928	0.4
109.02840	0.3
109.60486	0.2
112.01585	3.5
113.02373	0.8
119.04947	1.1
121.02866	0.6
121.06528	0.4
123.00784	3.1
127.00278	1.7
131.04922	12.1
132.05258	0.5
137.02310	1.4
139.00313	1.2
140.01042	5.5
141.01823	0.7
145.02773	0.2
145.06456	0.2
151.00243	1.0
154.99763	0.4
155.03398	0.9
157.01230	0.3
158.45621	0.2
166.99736	0.3
168.00537	37.9
169.01318	16.1
170.01515	0.2
171.04399	0.8
173.05914	0.5
181.04968	0.5
183.02879	100.0
184.03214	2.0
185.00818	0.7
185.05933	0.3
186.01585	17.0
187.01865	0.3
195.02867	0.4
201.00287	4.1
201.03934	7.5
223.03893	0.4
229.05009	0.4
241.04944	3.3
245.08144	1.1
254.05873	0.4
259.05878	0.4
269.04382	2.8
271.05911	0.5
272.06158	0.6
287.05499	45.2
287.09106	57.5
288.05844	2.0
288.09457	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	287.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.44379	0.2
56.02645	0.5
66.01108	0.3
67.01868	0.3
68.99784	5.1
69.03426	0.8
69.06180	1.5
71.01351	0.7
79.05479	0.7
84.02126	1.4
85.02899	0.8
87.00837	0.4
91.05480	4.4
95.01328	1.8
99.00823	1.3
99.04457	0.4
100.01604	0.8
100.02575	0.2
103.05465	6.5
104.05822	0.3
105.03385	0.6
105.06997	0.8
107.04928	0.4
109.02840	0.3
109.60486	0.2
112.01585	3.5
113.02373	0.8
119.04947	1.1
121.02866	0.6
121.06528	0.4
123.00784	3.1
127.00278	1.7
131.04922	12.1
132.05258	0.5
137.02310	1.4
139.00313	1.2
140.01042	5.5
141.01823	0.7
145.02773	0.2
145.06456	0.2
151.00243	1.0
154.99763	0.4
155.03398	0.9
157.01230	0.3
158.45621	0.2
166.99736	0.3
168.00537	37.9
169.01318	16.1
170.01515	0.2
171.04399	0.8
173.05914	0.5
181.04968	0.5
183.02879	100.0
184.03214	2.0
185.00818	0.7
185.05933	0.3
186.01585	17.0
187.01865	0.3
195.02867	0.4
201.00287	4.1
201.03934	7.5
223.03893	0.4
229.05009	0.4
241.04944	3.3
245.08144	1.1
254.05873	0.4
259.05878	0.4
269.04382	2.8
271.05911	0.5
272.06158	0.6
287.05499	45.2
287.09106	57.5
288.05844	2.0
288.09457	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	287.0913
Annotation	Linderone
Peak:m/z	Relative Intensity
50.47566	0.3
55.01866	0.7
55.23943	0.3
68.99788	13.7
71.01356	0.5
79.05479	0.8
84.02110	1.5
87.00819	1.4
91.05495	2.3
95.01313	0.8
99.00813	1.1
100.01577	0.4
103.05466	9.5
105.03406	0.6
105.07018	2.4
107.04980	0.6
110.31735	0.4
111.49371	0.3
112.01595	3.2
115.00284	0.6
119.04911	0.5
121.02831	0.7
121.06488	0.5
123.00776	1.2
127.00262	1.4
131.04921	15.0
137.02322	0.4
139.00235	1.5
140.01045	5.8
149.02225	0.4
151.00238	0.7
153.01784	1.2
153.07034	0.4
166.99696	0.6
168.00536	38.5
169.01315	7.4
173.05943	0.8
183.02881	100.0
184.03221	1.8
185.00760	1.2
186.01591	18.1
201.00293	25.5
201.03902	3.4
241.04898	2.8
245.08212	0.6
269.04428	2.4
272.06619	1.4
287.05505	44.3
287.09109	75.0
288.05771	1.7
288.09375	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	287.0914
Annotation	MolPort-039-052-432
Peak:m/z	Relative Intensity
53.00289	0.4
65.03927	1.4
67.01835	0.3
68.99435	0.4
68.99786	5.7
69.03426	3.1
69.12424	1.3
71.01339	0.6
78.48589	0.3
81.03398	0.7
85.02884	0.9
91.05476	9.9
93.03383	0.7
95.00739	0.4
95.01330	6.7
98.19299	0.2
99.00813	0.3
103.05454	3.3
105.03328	0.4
105.07039	1.1
109.02852	0.7
111.04426	1.0
112.01555	0.6
113.02368	2.7
114.85693	0.2
115.03895	0.3
115.05441	0.2
119.04936	2.1
120.31044	0.2
121.02876	3.1
123.00789	6.3
127.00250	0.2
131.04932	9.7
137.02332	3.7
139.00253	1.0
140.01007	1.0
141.01784	1.3
151.00249	2.5
155.03381	1.7
165.01836	0.9
166.99843	0.3
168.00545	6.3
168.02733	0.3
169.01321	39.1
170.01698	0.9
171.04431	1.2
183.02885	62.9
184.03239	1.8
185.00821	0.8
186.01575	2.5
201.00233	1.4
201.03941	6.0
201.05687	0.5
241.04948	4.0
241.08708	1.0
245.04520	0.4
259.06079	1.1
269.04449	3.5
269.07898	0.5
272.05963	0.9
287.05539	100.0
287.09070	16.5
288.05875	4.9
288.09372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.1
55.05490	4.4
56.05011	3.7
56.96547	4.4
57.31740	1.9
60.05647	4.8
64.99745	2.3
67.05493	11.4
68.99784	64.1
69.07037	2.7
69.31853	12.2
70.06584	19.9
71.04992	3.5
72.08147	6.2
79.05489	13.9
79.71630	2.1
81.07043	11.5
83.04990	2.9
83.06090	16.1
84.04498	100.0
84.08157	4.8
85.02894	5.3
86.06042	2.8
86.09701	10.3
90.92749	2.0
93.07050	3.0
95.08602	41.0
97.00533	2.5
97.06520	70.9
98.97584	2.3
98.98449	7.4
101.07130	12.5
102.05546	15.2
105.07050	3.8
111.00870	2.0
116.07067	2.3
121.06502	21.3
123.08047	23.6
125.07106	3.9
129.06586	27.9
129.10184	3.3
130.04988	95.9
131.12907	2.9
138.96768	2.3
139.00232	10.3
140.10641	3.8
141.09091	70.6
147.04405	6.2
147.07632	36.4
156.97922	2.6
157.01302	2.3
166.99748	3.3
175.11864	6.8
185.00800	54.7
188.06752	2.4
190.95430	2.2
198.62215	2.1
213.05426	2.7
224.12724	2.6
241.04816	2.9
252.12126	2.8
255.51244	2.6
259.05981	6.9
269.14923	2.2
270.13348	3.8
287.05487	24.8
287.10324	5.4
287.13361	4.2
287.16211	5.9
287.19907	4.3
288.14105	2.2
288.20157	14.8
288.22952	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	287.2003
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
51.12135	0.9
55.05510	5.3
57.03432	1.6
57.07059	3.7
58.06604	1.2
67.05503	6.6
68.99776	3.6
69.03416	2.7
69.07062	3.7
69.81372	0.9
70.06570	1.7
70.21809	2.4
71.04967	1.1
71.08619	1.7
79.05495	5.3
81.06622	1.4
81.07056	14.0
83.04967	3.8
83.08620	2.6
88.07614	1.2
91.05476	5.8
93.07039	10.6
95.04951	2.1
95.08593	12.8
104.71075	0.9
105.07026	11.6
106.08652	1.0
107.04953	1.2
107.08581	8.4
109.06518	2.0
109.10132	5.2
111.00781	1.0
111.08082	1.3
112.54836	1.0
117.06998	3.1
119.04910	1.2
119.08549	11.4
121.02854	1.3
121.06507	4.7
121.10127	5.5
123.00767	1.0
123.08038	1.3
127.07518	1.1
128.06189	1.7
129.06955	2.0
131.08554	7.0
133.10132	9.7
135.08073	2.9
135.11664	3.3
137.05910	1.3
137.09605	1.4
141.06964	1.3
143.08554	8.2
145.10149	11.2
147.08051	2.0
147.11678	5.2
149.13228	1.7
153.01823	1.4
155.08546	2.4
157.10118	7.4
158.10873	0.9
159.08005	1.8
159.11662	12.9
161.09641	1.7
161.13220	3.6
163.11038	1.4
167.08595	1.7
168.02896	2.4
169.10109	3.0
170.10893	1.4
171.11713	7.7
173.09528	1.3
173.13330	5.4
173.14624	0.8
174.18530	1.1
175.11160	4.5
175.14868	1.9
179.10748	0.9
181.10075	1.8
183.11649	2.6
185.00790	4.4
185.09639	1.7
185.13196	6.9
187.11215	2.0
187.14796	2.9
189.12709	1.1
191.10619	1.3
195.11659	2.5
197.13333	2.3
199.11143	2.3
199.14890	4.7
201.16386	2.9
203.10632	1.3
205.12189	2.5
209.13304	2.3
211.14833	1.7
213.12717	2.2
213.16350	2.5
213.23877	0.9
215.14369	1.2
217.12245	2.3
225.16339	4.2
227.14294	1.4
227.17876	3.5
231.13730	2.4
231.25076	4.5
241.15764	1.4
241.19461	11.0
243.17513	2.4
251.17946	4.5
259.20456	1.2
269.04428	2.1
269.18988	17.0
286.30896	1.8
287.05487	35.8
287.20023	100.0
287.28018	1.9
287.31281	19.7
288.05670	2.0
288.20352	6.2
288.28961	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	287.2004
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
55.05493	0.6
57.07067	0.2
59.26527	0.2
62.03505	0.2
67.05487	0.9
68.99783	1.1
69.07061	1.3
69.32179	0.8
75.43501	0.2
79.05474	0.3
81.07056	2.9
83.08609	0.2
91.05477	0.5
93.07037	0.8
95.08598	1.6
97.10149	0.2
105.07008	0.5
107.08562	1.1
109.10132	0.6
119.04933	0.2
119.08556	0.5
121.06493	1.2
121.10110	0.4
123.00839	0.3
123.11710	0.7
131.08536	0.4
134.50935	0.2
135.08044	1.0
136.08792	1.7
137.05960	5.1
137.13269	0.3
143.08572	0.3
145.06490	0.4
145.10127	0.5
147.08101	0.2
147.11656	0.2
147.86478	0.2
149.05988	0.2
151.07527	1.0
153.01808	0.5
154.30272	0.2
157.10112	0.3
159.08061	0.8
161.09567	0.3
161.13397	0.2
163.07504	0.8
164.08327	6.1
165.09148	1.1
167.02130	0.2
168.02899	0.3
169.01221	0.2
170.10912	0.4
171.11700	0.4
173.09601	0.4
175.07512	0.3
176.08267	0.3
177.06772	0.3
177.09087	1.5
185.00792	0.6
185.09602	0.4
187.07524	1.4
188.08090	0.2
189.09116	0.8
191.10638	0.3
199.11125	0.5
201.08960	0.2
202.09854	0.2
203.10654	4.9
213.12517	0.3
215.10632	1.3
216.11443	0.4
229.12215	0.4
257.15308	0.4
272.17715	1.5
287.05518	6.4
287.20023	100.0
288.05728	0.4
288.20380	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	287.2368
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
50.40772	0.9
55.05503	7.5
57.07058	2.3
59.05002	0.8
67.05492	13.5
69.03428	0.8
69.07059	10.4
71.04983	2.1
79.05487	7.3
79.34917	0.8
81.07049	26.5
83.04963	2.9
83.08611	2.6
85.06534	0.8
91.05469	7.9
93.07034	18.4
95.04963	5.0
95.08595	32.1
96.87290	0.7
97.06528	5.4
97.10147	2.5
99.08070	0.8
105.07021	14.4
107.08578	19.4
109.06507	4.1
109.10140	17.1
111.08098	1.8
117.07018	3.0
119.08561	14.3
121.06501	1.7
121.10131	12.7
123.08063	11.1
123.11694	8.0
125.09627	1.1
125.21191	0.8
129.07013	2.1
131.08566	6.7
133.10109	10.7
135.08041	3.2
135.11690	6.8
136.08783	2.4
137.05959	5.5
137.09589	2.1
137.13223	2.1
139.11180	0.9
142.07756	1.3
143.08505	5.0
145.10092	10.0
147.08052	1.0
147.11649	8.3
149.09584	3.8
149.13240	10.7
151.11166	1.8
157.10114	7.1
159.07997	1.1
159.11691	10.2
161.09569	1.1
161.13232	7.4
163.07497	1.1
163.11205	2.0
163.14793	6.7
164.08348	6.4
164.48045	0.7
171.11652	5.1
173.09521	0.9
173.13274	8.4
175.11127	0.9
175.14807	5.4
177.06721	1.1
177.09109	1.9
177.12737	3.3
177.16414	1.8
185.13272	5.6
187.07550	1.6
187.14825	4.6
189.09085	0.9
189.12653	1.8
189.16414	3.9
191.14290	2.5
191.18047	0.9
193.15858	0.9
194.76204	0.8
199.11224	1.2
199.14769	6.5
201.16382	2.7
203.10638	4.4
203.14259	1.6
203.17900	1.4
205.15848	1.1
213.16324	5.6
215.10591	1.7
215.17938	2.7
217.15833	2.0
218.45457	0.8
227.17947	3.3
229.19525	4.9
231.17467	1.4
241.19508	1.9
259.20438	0.9
259.24265	1.5
269.19467	1.0
269.22604	22.3
272.17667	1.8
287.05469	13.0
287.20026	100.0
287.23624	52.8
287.31219	2.4
288.05713	1.4
288.20416	6.0
288.23969	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0864
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
51.71746	0.1
52.01912	0.2
52.47148	0.1
53.00305	0.2
54.03465	0.2
59.05981	0.1
60.63715	0.1
68.99776	1.9
69.35351	0.5
69.35748	0.2
70.00109	0.4
70.02924	0.4
71.44594	0.1
84.04504	0.6
91.05468	0.2
94.02924	1.0
95.00722	0.3
95.01319	3.9
95.04924	0.2
97.63113	0.1
103.22113	0.1
107.04925	0.5
111.03239	0.2
112.03177	0.2
112.03960	3.5
119.04921	0.9
121.06509	0.3
122.02349	0.7
122.06799	0.3
123.00761	0.7
123.04378	0.2
140.03412	26.6
141.01886	0.1
141.03828	0.1
147.04391	2.4
150.01837	0.2
152.03383	0.2
162.78583	0.1
166.13358	0.1
167.02113	0.5
168.02904	100.0
169.01308	8.0
169.03224	1.6
185.00757	0.7
185.03273	0.2
186.01172	0.8
186.03566	0.2
187.02348	0.9
215.93983	0.1
246.07585	0.6
259.14423	0.1
288.05896	0.5
288.08633	8.9
289.06952	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	288.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45576	0.2
53.00311	0.2
57.43870	0.2
65.20681	0.2
66.14700	0.2
68.99784	5.8
70.00137	0.2
70.02947	0.4
71.01347	0.2
74.36123	0.2
79.05490	0.2
84.04494	0.8
91.05495	0.2
94.02939	0.8
95.01321	3.4
103.05473	0.5
105.07023	1.5
112.03968	3.3
120.05209	0.2
122.02393	0.9
123.00782	0.4
125.62980	0.2
131.04921	1.2
139.00256	1.3
140.03419	25.9
141.03770	0.2
147.04393	0.4
152.03389	0.4
157.01308	1.0
166.99785	1.3
168.02911	100.0
168.14447	0.3
169.01360	1.4
169.03252	2.0
170.01637	0.6
185.00806	4.4
186.01208	0.4
201.00172	0.2
215.07091	0.3
225.05455	0.3
240.95393	0.2
243.06500	0.8
246.07578	0.7
271.05930	0.9
278.23569	0.2
288.05710	3.7
288.08633	6.8
289.06668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03441	0.3
68.99430	0.3
68.99790	6.8
69.71869	0.4
69.72263	0.5
70.00117	1.1
71.01314	0.3
77.60077	0.2
84.04494	0.7
90.75713	0.3
94.02936	0.8
95.01334	3.3
98.01737	0.2
98.02410	0.3
103.05457	0.6
105.07026	1.3
107.17868	0.3
112.03975	3.2
119.04974	0.4
121.06541	0.4
122.02387	0.8
122.06809	0.4
123.00808	0.4
131.04935	1.3
139.00267	1.9
140.03419	28.2
141.03731	0.5
147.04417	0.4
157.01314	1.0
165.53801	0.3
166.99739	1.1
167.02086	0.7
168.02913	100.0
169.01372	2.2
169.03291	1.6
170.01738	0.3
171.30263	0.3
185.00812	5.2
186.01175	1.1
201.00232	0.5
202.00565	0.4
225.05547	0.5
243.06535	1.1
246.07672	0.8
270.04684	0.4
271.06033	1.0
288.05725	3.7
288.08670	7.9
289.07028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2031
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
55.94229	0.5
56.96564	17.8
60.05646	23.0
69.07070	1.7
70.06588	100.0
70.65396	0.7
71.04976	1.4
71.06929	1.0
72.08150	4.0
72.56531	0.5
74.97614	0.5
84.08136	2.3
86.09702	30.3
87.10048	0.6
88.07633	1.2
95.06087	0.5
96.04557	0.5
97.06507	0.5
97.07660	1.9
98.06065	3.4
98.97593	2.5
101.00887	1.7
108.64455	0.5
110.97562	4.5
112.08721	11.3
113.00877	0.7
113.07113	0.6
114.10281	1.1
115.08685	3.6
116.07096	10.7
116.98603	1.1
117.34566	0.5
119.01913	4.1
124.03953	1.0
126.02305	0.8
126.05508	0.9
128.98624	5.7
129.10294	0.8
129.43936	0.5
130.09775	4.0
131.01907	1.1
132.10204	0.6
133.03479	1.8
137.02968	1.3
138.97202	0.5
140.03818	1.1
140.08188	1.8
143.01888	0.9
146.99667	3.1
155.99684	2.2
156.11304	3.5
156.98044	2.9
157.10841	2.6
158.01248	0.5
158.04895	1.4
158.09244	7.5
160.06439	2.8
161.02908	2.4
166.12248	0.6
170.04880	1.2
172.08134	1.2
173.03029	0.6
174.00780	2.8
174.99144	17.6
175.11896	36.8
175.99518	0.7
176.05983	0.8
178.07535	0.6
187.01048	0.7
187.04431	0.6
188.05972	1.8
191.03909	0.6
193.00206	22.9
194.05237	0.8
206.06908	2.8
208.10262	0.6
208.14413	1.5
211.01312	1.2
212.12843	1.6
215.00380	0.7
217.01904	1.0
224.08058	4.3
225.17039	1.4
226.09309	0.8
228.17070	2.9
229.15489	4.3
230.07091	0.6
242.08871	0.9
244.10207	0.8
246.08232	0.8
247.03128	1.2
248.08107	0.8
253.16594	1.8
254.14902	1.2
270.06458	1.9
270.19022	0.9
271.17636	11.5
288.07498	14.2
288.20273	93.5
289.08627	1.5
289.20505	2.8
306.08530	5.2
306.17764	0.6
307.08731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
56.79710	0.3
57.03421	0.4
57.04536	0.3
57.07067	1.1
59.04994	1.2
60.05639	0.6
67.05501	1.0
68.99790	0.9
69.07064	1.0
70.06587	3.1
71.04998	0.3
72.08149	0.3
73.31910	0.2
74.06135	0.3
78.56301	0.3
79.05498	0.5
81.07049	1.6
83.08627	1.0
84.05624	100.0
85.05337	0.5
85.05945	0.9
86.09726	0.6
91.05476	4.3
93.07030	0.8
95.04974	0.3
95.08603	0.8
97.06496	0.3
97.10161	0.3
102.09173	0.3
103.05498	0.3
105.07034	2.3
106.07372	0.4
107.04948	0.3
107.08601	0.9
109.06532	0.7
109.10147	0.7
112.08773	0.3
112.99998	2.0
114.79398	0.3
115.05471	0.3
116.07076	0.4
117.07016	2.5
119.08596	0.9
121.02871	0.4
121.06500	0.6
121.10149	0.4
123.11639	0.3
129.07005	0.4
131.08539	1.5
133.10123	0.6
135.04424	0.6
135.08078	0.3
136.04720	0.5
140.03395	0.7
143.08566	0.4
145.10133	0.6
149.13231	0.3
153.01836	0.8
154.02161	0.8
159.08051	1.2
161.13174	0.4
164.07082	0.9
168.02892	2.1
169.01292	0.7
172.12029	0.3
175.11879	0.8
192.60368	0.3
196.07448	0.3
215.17940	0.3
226.21745	0.3
247.06090	0.4
253.16006	0.3
257.19067	0.3
270.04736	0.3
271.17422	0.8
288.05832	21.9
288.20654	32.8
288.25638	1.1
289.05881	1.4
289.15417	0.5
289.17972	1.4
289.21054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
57.03429	1.3
57.07068	5.2
58.06595	19.1
69.29778	0.7
69.30168	0.6
71.08620	2.3
75.04469	0.6
79.63740	0.2
84.08133	8.8
85.10179	0.5
88.07623	0.6
98.22651	0.5
102.09168	6.9
115.02615	0.3
118.08661	0.7
120.10201	10.8
121.09710	0.3
214.25294	4.5
239.91870	0.3
271.16501	0.3
288.28922	100.0
289.17938	0.5
289.29211	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	289.0707
Annotation	Ambotz529-53-3
Peak:m/z	Relative Intensity
55.01858	0.9
57.03412	0.9
60.05626	1.5
64.99711	0.7
67.01843	1.2
68.99776	2.5
70.06599	4.3
71.01344	1.5
71.40152	0.7
72.08134	1.1
74.93156	3.5
76.92867	9.2
78.82429	0.7
78.92429	1.6
81.03384	1.3
85.02901	2.9
86.09686	2.2
91.05492	4.2
92.27579	0.8
95.01300	2.9
95.04945	2.2
97.02853	0.8
107.04951	13.1
109.02854	1.8
113.02356	1.9
116.07108	1.2
119.04936	13.9
121.02836	4.5
121.06496	2.2
123.00783	4.9
123.04442	3.7
127.03901	2.2
139.03845	0.9
141.01816	2.4
147.04401	31.7
149.02368	5.4
151.00269	1.4
153.01826	9.0
157.47475	0.9
167.03409	1.0
169.01318	100.0
170.01724	1.1
170.99026	1.4
171.02928	1.8
173.05949	1.3
175.11916	1.5
187.02377	15.1
187.03958	1.3
189.00076	2.2
192.04572	0.8
195.02840	1.1
197.05916	3.5
206.93051	1.5
206.96706	2.3
215.06999	6.3
224.94157	1.4
225.05411	1.7
237.25627	0.8
243.06558	8.1
246.37744	0.7
271.05862	5.2
278.09656	0.7
282.90265	1.2
283.90433	1.0
284.89969	2.4
288.20267	1.8
289.07059	76.8
289.20737	2.2
290.07373	3.1
302.91064	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	289.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.0
53.59214	0.5
56.43293	0.5
60.35275	0.5
68.99788	98.0
69.86466	1.8
70.00128	1.4
71.01343	0.7
92.99768	0.8
95.01354	0.8
95.61861	0.5
103.05470	3.3
105.07028	21.2
105.14017	0.5
107.37491	0.5
111.00808	2.2
128.22363	0.5
131.04929	4.6
139.00256	27.1
141.06985	1.2
151.00294	1.1
153.07019	0.6
155.04906	1.7
157.01314	2.1
165.01865	1.6
166.99751	22.5
167.22690	0.5
168.02937	1.3
169.01326	1.2
169.03290	1.5
169.06464	1.0
175.88564	0.5
183.04410	1.0
185.00809	100.0
186.01114	2.5
187.27760	0.5
197.05971	1.3
201.05467	1.1
201.94124	0.5
208.58879	0.5
215.07002	3.1
225.05446	7.0
243.06543	14.7
244.07037	0.7
253.05000	2.9
269.82455	0.5
271.05984	27.6
272.06375	1.7
284.33417	0.5
289.06973	2.4
296.87836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Ambotz529-53-3
Peak:m/z	Relative Intensity
53.00295	1.1
57.03440	0.6
65.17350	0.5
67.01862	0.6
68.99784	12.4
69.74182	1.0
69.74554	1.1
70.00130	0.6
71.00200	1.2
71.01347	5.9
80.59960	0.5
85.02895	2.2
87.00816	0.6
91.05473	5.6
95.01327	3.5
95.04952	1.7
103.04927	0.6
103.05474	5.2
104.99744	1.4
105.07022	8.9
107.04951	4.3
111.00791	0.7
113.02345	2.3
119.04932	11.2
121.02853	0.7
121.06487	0.8
123.00783	6.2
123.04400	1.9
131.04918	17.7
131.90105	0.5
132.05203	0.5
139.00237	5.5
141.01787	1.8
147.04396	26.6
151.00262	1.6
157.01315	12.0
166.99750	7.7
169.01311	100.0
170.01659	1.9
182.17137	0.5
185.00801	7.9
187.02365	7.5
195.02898	0.8
197.06026	1.0
201.00354	0.5
202.00630	2.1
203.00555	4.3
215.06902	1.0
225.05502	1.7
225.09978	0.6
225.53636	0.6
243.06529	9.8
247.05624	0.7
253.04773	0.6
271.05881	2.1
289.07028	67.1
290.07278	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	289.0706
Annotation	Ambotz529-53-3
Peak:m/z	Relative Intensity
53.00301	0.4
53.84821	0.3
54.42396	0.4
55.01868	0.6
57.03432	1.0
59.80596	0.4
65.03926	0.4
68.99795	16.0
69.53220	1.7
69.53563	0.4
71.01353	3.5
76.01223	0.4
81.18650	0.4
85.02922	1.8
91.05490	5.3
95.01334	3.6
95.04977	1.4
103.05463	2.6
104.99758	1.0
105.07033	6.0
107.04972	3.8
113.02348	2.5
119.04950	10.3
121.06516	1.3
123.00797	5.1
123.04428	2.3
131.04939	7.4
139.00270	5.5
141.01833	1.9
147.04408	28.0
148.04752	0.7
151.00261	1.4
157.01318	5.7
166.99782	6.4
167.03447	0.5
168.02786	0.8
169.01328	100.0
170.01694	1.8
183.04375	0.5
185.00813	19.7
187.02379	6.8
189.05409	1.0
197.05988	0.6
203.01881	0.5
209.68098	0.4
215.07031	1.4
225.05486	1.1
243.06532	6.4
271.05984	5.2
289.07059	58.4
290.07410	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Ambotz529-53-3
Peak:m/z	Relative Intensity
53.00306	1.7
57.54671	1.4
68.99786	49.8
69.00165	2.5
69.42982	5.0
71.01354	21.3
77.00320	1.3
77.03881	1.2
85.02903	2.6
90.88573	1.2
91.01878	1.1
91.05490	7.4
95.01318	4.0
95.04948	2.5
103.05463	22.0
104.99745	6.8
105.07027	42.4
107.04980	3.6
111.00825	2.1
113.02348	3.1
119.04943	11.3
119.35605	1.2
121.06538	1.3
123.00792	6.3
123.04465	2.8
131.04922	69.4
135.35898	1.4
139.00256	25.9
141.01807	2.3
147.04402	33.7
151.00279	1.5
155.04860	2.5
157.01323	53.2
158.01701	1.5
158.38394	1.2
166.37102	1.1
166.99756	33.5
169.01326	100.0
170.01662	3.0
185.00816	56.5
186.01219	1.7
187.02380	6.6
197.05919	2.3
203.02095	6.3
215.06987	3.7
225.05457	6.4
243.06523	40.9
244.06883	1.4
253.04968	1.9
271.06030	16.4
289.07059	76.8
290.07468	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	289.0704
Annotation	Monodictyphenone
Peak:m/z	Relative Intensity
52.65836	0.5
53.00314	0.8
56.91328	0.6
57.03713	0.6
59.86244	0.6
63.14931	0.6
64.62190	0.6
68.99784	95.6
69.03430	1.0
69.07034	0.5
70.00107	1.1
70.70197	1.2
71.01346	2.7
81.07042	0.5
83.08654	0.6
91.05487	1.0
92.99780	0.7
95.01317	0.7
95.04984	0.7
95.08592	0.8
97.06526	0.7
103.05444	6.2
104.99731	1.7
105.03362	1.4
105.07021	27.8
106.07359	1.4
111.00797	2.8
115.05450	0.7
119.08569	0.7
121.10122	0.7
123.00769	0.6
124.52619	0.6
131.04921	15.2
132.05211	0.6
139.00255	26.0
140.00606	0.8
141.00613	0.8
141.06981	1.9
147.04404	1.3
148.32462	0.6
151.00258	1.7
153.06929	0.5
155.04897	1.0
157.01318	10.8
157.06404	0.8
165.01843	1.2
166.99738	17.6
168.02853	1.1
169.01291	4.0
169.06445	1.8
173.06062	0.7
183.04413	1.2
185.00798	100.0
186.01126	2.0
197.05995	1.6
201.05371	1.1
203.01791	1.7
215.07042	3.4
225.05449	6.6
229.04948	0.9
241.04843	1.0
243.06580	19.6
253.04865	1.9
271.05997	28.5
272.06412	0.9
289.06595	9.1
289.21426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Cyanomaclurin
Peak:m/z	Relative Intensity
53.00296	1.0
56.50442	0.4
57.28207	0.4
68.99786	100.0
69.12793	3.2
69.13100	0.6
70.00108	0.9
71.01351	2.7
89.39503	0.5
91.05526	0.4
92.99776	1.1
95.01341	0.6
98.23496	1.0
103.05441	4.6
104.99767	1.2
105.07025	19.0
111.00773	2.7
120.01406	0.4
123.23484	0.5
131.04932	9.1
139.00256	27.8
140.00560	0.7
141.06982	1.5
146.96356	0.4
151.00279	0.9
153.34552	0.4
155.04884	1.0
157.01303	6.3
157.06425	0.8
165.01830	2.0
166.99744	20.7
169.01268	1.0
169.06454	1.3
175.07394	0.4
177.09073	0.5
183.04413	1.2
185.00801	78.4
186.01118	1.5
188.19188	0.5
197.05994	1.6
201.05420	1.1
215.07097	2.4
225.05457	6.4
243.06551	12.7
253.04922	2.2
271.05997	17.7
272.06265	1.0
289.07071	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Ambotz529-53-3
Peak:m/z	Relative Intensity
53.00295	0.2
55.01857	0.3
57.03421	0.4
66.40402	0.2
67.01846	0.3
68.99789	1.3
71.01348	0.9
85.02902	1.7
95.01326	1.8
102.29205	0.2
103.05490	0.8
105.07052	0.2
113.02370	1.9
119.15366	0.2
123.00803	3.0
131.04889	0.4
141.01840	1.0
145.06540	0.2
147.04417	0.7
151.00269	0.5
157.01379	0.2
159.02751	0.2
166.99739	0.2
169.01314	100.0
170.01678	2.1
171.04353	0.5
174.04897	0.2
185.00816	0.6
185.60632	0.2
187.02426	1.1
195.02892	0.2
197.05937	0.6
197.09978	0.2
225.05470	1.3
242.96588	0.2
243.06616	0.4
247.06070	0.9
253.04956	0.4
271.05991	5.5
272.06335	0.5
289.07043	6.2
290.07361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Carthamidin
Peak:m/z	Relative Intensity
53.00305	1.0
68.99788	100.0
69.44666	2.8
69.45036	1.4
70.00127	1.6
77.70819	0.6
79.11894	0.5
86.00392	0.6
88.71027	0.6
91.05512	0.7
92.99773	1.0
95.01284	0.7
99.51540	0.5
103.05470	2.8
105.07024	19.1
111.00793	2.5
115.05467	0.7
123.97025	0.6
129.06963	0.7
131.04913	2.5
139.00259	25.9
141.06955	1.7
145.06456	0.7
151.00246	1.4
155.04951	0.9
157.01352	2.1
165.01820	1.3
166.99742	20.4
167.01157	1.4
169.01350	0.9
169.06496	1.2
183.04373	0.9
185.00809	86.7
186.01190	1.6
197.05995	1.2
201.05399	1.2
215.07048	3.1
225.05478	6.8
243.06509	14.6
253.04890	2.9
264.41010	0.6
271.05994	24.0
272.06320	0.7
284.24368	0.6
289.06799	2.2
310.51031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1022
Annotation	Iprobenfos
Peak:m/z	Relative Intensity
51.07613	0.9
51.25417	0.9
56.83087	0.7
57.07058	0.7
58.68147	0.8
65.03937	1.1
67.05498	0.9
69.17184	3.0
69.17588	2.0
70.06592	2.9
75.37093	0.7
88.07621	8.0
91.05473	100.0
92.05836	2.4
106.08656	10.1
161.82042	0.8
205.00842	9.4
227.20120	1.2
281.04422	0.8
288.28735	1.2
289.25592	1.1
289.29092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99793	8.2
69.38408	2.9
69.38808	1.3
70.06590	2.2
71.01348	1.1
72.08145	1.4
74.79562	0.8
84.08125	1.5
98.97536	0.9
101.00883	1.3
103.05437	1.9
105.07047	2.3
106.06564	3.4
112.11240	2.5
118.03517	1.7
119.01927	7.2
120.08112	4.5
126.05494	2.2
127.03933	2.0
127.05876	1.2
129.13907	5.8
131.01909	0.8
131.04939	2.1
131.98557	2.9
134.09630	1.8
137.02960	2.1
139.00256	2.6
139.94554	0.6
145.03476	0.8
149.99602	1.4
152.10793	0.9
156.02580	0.7
157.01350	1.9
162.09143	15.3
162.10417	1.5
166.02773	0.6
166.99687	0.8
169.01303	2.0
169.43196	0.7
169.96733	0.7
174.97591	0.8
184.01695	0.8
185.00792	8.8
187.08176	2.2
199.08177	2.2
202.07137	0.9
216.98586	1.1
217.09296	0.9
219.14925	2.7
229.09480	0.7
234.99861	1.3
235.57935	0.8
243.06586	2.1
248.07715	4.9
266.08765	3.5
271.05951	1.4
289.12570	100.0
290.12936	2.6
290.22256	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31318	0.7
51.13737	0.7
54.88943	0.7
57.07074	100.0
63.57956	0.7
69.26197	4.3
72.04515	22.3
85.14193	0.8
91.05484	1.7
93.07029	0.8
95.08620	0.8
99.04468	0.8
100.07613	48.9
105.07082	1.1
107.08652	0.9
116.05336	2.0
119.08629	1.1
156.13831	61.0
157.14223	1.2
169.03348	1.6
172.11577	1.3
289.21051	2.7
289.29590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05507	16.0
57.03434	1.8
57.07075	8.0
59.04994	2.7
62.53867	1.3
67.05499	28.3
69.07060	39.0
69.71877	5.1
71.04983	8.1
79.05483	19.5
81.07049	65.4
81.14398	1.5
82.07371	1.6
82.16583	1.2
83.08612	19.1
85.06514	3.4
85.10165	1.5
91.05469	10.2
92.05781	1.3
93.07034	37.8
95.04955	10.4
95.08597	61.0
95.09209	3.1
95.39730	1.2
96.08930	2.0
97.06521	12.0
97.10161	10.8
99.08073	4.3
105.07020	23.6
105.07723	1.4
107.08588	59.2
108.80067	1.3
109.06487	9.7
109.10146	49.7
111.08076	4.5
111.11732	2.7
113.09646	2.7
117.07013	1.4
119.08567	25.1
121.09263	2.5
121.10125	35.4
123.08059	5.9
123.11689	36.7
125.09612	3.7
125.13267	2.6
127.11204	1.6
128.04982	1.6
131.08578	4.8
133.10117	16.2
134.96599	1.4
135.11687	26.7
137.09618	2.9
137.13232	5.4
143.08562	1.7
145.09154	1.4
145.10112	9.1
147.11671	19.8
149.13243	36.9
151.10030	1.8
151.11163	12.5
159.11661	11.4
161.13243	14.3
163.14806	43.6
163.16187	2.5
165.12807	6.6
172.22528	1.4
173.13269	8.0
175.14796	12.9
177.16379	8.6
179.14354	2.3
187.14786	5.7
189.16367	11.2
191.17928	4.3
193.15819	2.1
201.16339	8.4
203.17949	3.1
207.17445	2.2
215.17952	7.7
217.19461	6.1
219.17358	3.6
229.19545	3.0
231.21089	7.5
233.18938	3.3
271.24191	37.8
272.24466	1.3
289.06393	1.7
289.21368	4.7
289.25211	100.0
290.25522	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	290.079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40304	0.9
60.04541	0.8
64.95003	0.9
65.03934	1.5
65.45747	0.9
70.06593	2.4
70.90828	1.1
71.01324	1.2
71.07861	0.8
71.13724	0.8
72.08146	1.8
79.05495	0.8
82.56602	0.8
84.48945	0.9
85.43367	0.8
86.09735	1.7
87.57422	0.9
88.73905	0.9
91.05478	28.3
95.04946	2.0
98.97542	1.0
103.05465	1.2
105.07036	2.5
109.09831	0.9
112.08807	0.9
113.21600	0.8
114.05535	0.9
115.05463	2.3
116.98622	1.4
117.05759	18.6
118.06528	15.9
119.04945	3.3
121.06492	1.5
127.01559	15.3
128.07074	1.0
130.06522	1.2
131.07344	1.1
132.08078	7.8
133.06491	2.9
134.99701	0.9
135.06802	2.5
136.07471	1.1
144.06613	1.1
145.06068	1.0
147.04440	1.6
148.07571	1.0
150.09138	21.9
150.10274	1.9
151.45282	0.9
164.10721	3.2
169.01318	1.9
170.01686	2.0
174.05547	0.9
189.22697	0.9
203.04701	4.1
212.04683	3.1
213.03096	3.1
218.15295	0.9
227.04668	33.4
230.05760	38.4
231.04095	4.8
231.06154	1.1
244.07335	100.0
245.05589	5.7
245.07825	2.4
247.06013	1.5
255.04256	4.3
262.08405	6.0
263.05756	2.2
273.05124	2.8
290.07489	3.1
290.10056	2.7
290.15753	1.1
299.84424	0.8
308.78958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36049	0.7
69.13233	5.0
69.13615	1.5
80.34826	0.8
81.10902	0.7
107.64464	0.7
122.25201	0.7
127.05474	0.7
136.82375	0.8
148.27007	0.8
155.27028	0.8
241.92107	0.8
263.03104	5.3
291.02621	100.0
292.02893	3.5
309.03610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75315	0.5
66.45510	0.6
67.01862	44.2
68.02164	0.7
68.99784	6.6
69.03394	0.8
70.06554	1.8
70.70425	0.7
71.01349	48.0
81.03387	0.7
89.03867	2.6
95.01321	0.8
103.05454	0.9
107.04897	0.7
111.04419	1.5
113.02363	22.5
117.03332	2.4
121.02792	1.2
127.03800	0.7
131.03400	0.7
131.64003	0.5
135.04413	16.6
137.02336	50.5
137.03368	2.3
137.81779	0.6
138.02621	1.0
143.04895	0.9
145.02840	2.6
147.04430	3.9
155.04973	0.7
161.02327	16.2
163.03896	16.1
171.04376	2.1
173.05878	0.7
175.03937	0.9
177.05428	2.0
179.03383	14.1
189.05449	3.8
199.03888	3.4
201.05553	0.7
203.03358	7.5
217.04959	1.6
227.03365	4.3
229.04889	3.7
245.04448	2.4
247.05998	78.8
248.06380	2.5
263.05490	100.0
264.05807	4.5
273.12540	0.8
291.04980	20.6
291.13281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50623	1.1
53.18748	1.1
56.22403	1.1
58.06607	1.3
58.99863	2.4
60.05649	2.9
63.39497	0.9
68.38362	1.3
69.03429	3.9
69.87621	1.1
70.06595	19.8
70.59460	1.7
70.99846	1.1
71.04993	4.0
72.08133	1.2
77.00925	1.2
82.99864	2.4
84.08186	1.2
85.02898	2.4
86.06074	1.3
88.03989	1.1
94.93059	1.2
95.46980	1.0
96.04523	1.7
97.02869	8.7
101.00881	32.1
105.00386	1.1
111.05581	3.5
112.08727	4.2
113.00872	5.4
115.02429	1.5
115.08642	1.3
116.07103	2.6
118.08652	4.8
119.01917	100.0
120.02029	2.5
127.02453	1.5
129.03976	1.8
129.06595	1.3
130.09697	6.1
131.01903	23.7
132.99817	2.6
133.03531	1.3
135.09227	2.0
136.07578	1.5
137.00909	1.2
137.02971	26.7
137.49487	1.2
138.09184	3.2
143.01880	11.0
144.10197	48.0
145.03470	6.3
145.10629	1.3
147.01378	2.6
148.10831	4.1
149.02956	3.9
151.00909	2.8
155.01859	12.9
157.03499	5.0
161.02960	34.3
162.11261	9.5
171.01392	12.1
173.02971	24.9
175.00883	12.8
175.04527	3.1
175.11952	4.2
177.02414	1.5
180.11304	1.4
182.08150	2.8
185.02946	18.4
186.00188	1.2
186.91701	16.8
187.04524	2.0
189.02411	8.8
191.04056	6.0
193.01967	19.3
194.02081	1.2
197.02965	23.4
197.13977	1.8
198.03438	1.1
199.00912	4.9
203.04005	10.4
205.05585	2.6
207.01450	3.1
208.98265	1.7
213.02541	6.9
215.04018	19.0
217.01952	4.9
223.00941	2.8
231.03499	2.7
233.05115	5.7
241.01852	6.6
241.12939	2.3
259.02991	27.8
259.14011	5.2
260.03149	1.5
261.03461	1.3
277.04037	25.8
277.07040	1.9
291.00482	1.7
291.05734	14.2
291.10330	14.0
291.13055	3.2
300.05823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
57.03429	0.6
57.07053	0.6
58.06591	0.6
61.00868	0.8
61.01149	10.0
67.05472	1.3
68.61658	0.6
69.07047	0.8
70.06552	0.5
71.08615	0.8
79.05470	1.6
81.07047	1.8
84.97475	3.9
88.07623	2.2
88.95189	5.2
91.05476	4.3
93.07032	1.2
95.04945	1.9
95.08605	1.3
105.07024	1.1
106.08585	0.7
107.04971	1.3
107.08596	1.4
109.06496	1.2
109.10178	0.7
119.08593	0.7
120.97787	0.7
131.08569	0.8
135.08025	1.1
144.63104	0.6
144.97757	23.8
146.76622	0.6
147.42891	0.6
149.09621	0.8
163.11131	0.6
172.95821	1.1
172.97232	9.5
188.96738	100.0
189.97070	1.6
206.97775	1.1
231.01424	43.0
232.01761	1.1
242.24820	1.7
243.25246	0.7
249.02499	1.1
273.03760	0.7
273.18448	1.5
290.26953	3.1
291.19696	4.1
291.22809	0.9
291.27185	1.7
294.73260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30026	12.0
52.08021	11.2
54.87944	13.2
56.96551	17.9
64.74445	11.9
70.01550	36.2
70.06589	68.0
74.02411	13.2
82.26351	11.7
98.97575	27.8
114.27037	14.7
116.07111	13.7
130.08653	17.6
164.99602	15.3
181.87804	12.4
272.72668	13.1
291.08310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01871	0.7
55.05512	1.4
57.03426	1.0
60.06880	0.2
63.02386	0.4
65.03926	0.3
67.05506	0.9
68.99777	0.9
69.03427	1.3
70.06573	0.4
70.55202	0.3
70.55500	0.3
71.01350	0.6
71.04984	0.5
72.08153	1.4
77.03933	0.5
79.05489	2.6
81.03435	0.5
81.07060	0.6
83.04973	5.6
84.08138	4.2
85.02901	1.9
89.03911	9.9
89.04469	0.5
91.05457	1.1
93.07059	0.9
95.04963	1.1
95.08607	0.6
99.04450	0.9
103.05462	6.5
105.07014	0.8
106.06556	0.4
107.04945	3.5
107.08589	0.5
109.02895	0.3
109.06534	0.3
111.04433	4.1
115.05445	0.9
117.03366	13.4
117.06994	0.6
118.03691	0.3
119.04936	0.4
119.08567	0.7
121.06451	0.3
121.10123	0.4
123.04432	3.5
123.58681	0.2
127.03891	1.0
128.06230	0.5
129.05475	1.5
129.06987	1.0
129.13873	0.6
131.04918	23.1
131.08551	0.3
132.05269	0.3
133.10091	0.4
135.04404	27.8
136.04697	0.7
139.00386	0.3
141.07031	0.3
143.04918	0.8
143.08487	0.4
144.10201	1.4
145.02840	16.7
145.03860	0.7
145.06430	0.3
145.10168	0.4
146.03246	0.3
147.04379	1.3
147.11685	0.6
149.05910	0.4
151.03851	0.6
153.06944	0.5
157.06450	1.0
157.10121	0.4
159.05479	1.2
161.05971	2.1
161.12866	0.7
162.09125	1.6
163.03888	100.0
164.04219	2.2
165.04282	0.4
165.05473	2.1
169.04916	0.6
169.06337	0.2
171.08038	0.4
173.05922	0.6
175.03879	0.5
175.07541	0.6
177.05438	0.7
179.06946	0.4
181.06490	0.4
183.08060	0.3
185.05913	0.8
186.01125	0.3
186.05486	0.3
187.01251	0.4
187.05072	2.2
189.05441	1.5
190.07741	0.4
191.03391	1.9
191.08546	0.6
193.04922	0.5
199.07500	1.1
201.05402	0.5
202.12267	4.3
203.06981	1.8
203.12564	0.3
211.07478	0.4
217.04950	2.7
217.08549	0.6
218.07283	0.3
219.08101	0.5
219.14999	0.4
227.07072	1.4
229.08580	0.5
231.06418	0.6
231.14996	2.6
233.04408	0.4
245.08138	1.3
255.06470	0.3
263.07050	0.3
273.04135	0.4
273.07480	2.4
273.10501	0.3
273.11438	0.2
273.18420	0.4
276.11282	0.3
290.22174	0.7
291.08466	2.1
291.11621	2.3
291.16940	9.8
291.19403	0.4
292.17169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0974
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
51.30664	1.2
69.38167	6.9
72.12220	1.5
87.00854	2.0
87.67657	1.2
88.04005	3.0
91.05482	1.6
92.70500	1.4
115.05437	8.1
117.05740	2.4
118.06543	14.2
119.04996	1.6
123.00805	1.6
128.03502	1.3
129.06998	1.7
130.06523	100.0
131.06903	1.9
132.07120	2.9
132.08084	44.1
132.09084	2.3
142.06500	16.0
144.08055	6.6
146.06006	19.5
147.04466	3.3
148.04735	3.2
149.04953	2.2
156.08086	4.9
157.07629	7.5
158.05992	2.9
158.08376	4.7
159.09174	86.3
159.44633	1.3
160.07562	7.8
160.09520	3.0
167.06026	1.6
169.01341	7.9
169.07635	3.3
170.01639	7.5
170.06007	37.1
171.01787	18.5
171.06462	2.2
172.07562	2.8
181.07635	2.5
182.06055	2.1
183.09184	5.0
184.07590	16.1
185.07088	49.1
187.08626	3.0
188.07068	40.4
199.08667	2.4
200.07066	9.1
201.10205	11.7
227.08139	45.7
228.08504	2.4
229.09706	2.1
231.07747	1.4
245.09218	70.9
246.09579	4.0
255.07555	5.3
273.08667	10.0
291.07529	17.7
291.10275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99497	0.5
61.01148	16.1
62.43663	0.4
69.66297	0.8
70.06590	0.9
75.38227	0.4
84.04494	0.9
84.08140	85.7
85.08485	0.9
86.09729	0.7
98.22725	0.5
98.97565	0.7
98.98457	0.4
106.73011	0.4
121.06476	0.4
129.01559	0.5
132.08423	100.0
133.08766	1.4
135.41136	0.4
139.01524	0.6
139.03943	0.7
159.26759	0.5
165.63214	0.4
198.11230	1.3
215.13922	1.2
243.16872	0.5
246.11693	0.8
263.05539	0.5
273.12241	0.8
291.13461	1.5
291.17328	15.8
292.17581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03935	0.8
55.01868	2.6
55.05257	0.7
55.05504	8.7
57.03424	0.4
57.07037	0.5
59.04983	0.7
65.03915	0.5
66.28439	0.3
67.05165	0.5
67.05497	7.3
69.03410	1.8
69.07056	4.2
69.61661	0.9
71.04980	1.3
79.05481	9.0
81.03376	0.8
81.07053	8.3
83.04972	2.0
83.08605	4.6
85.06524	0.6
91.05470	8.2
92.97174	0.4
93.07031	8.2
93.62276	0.4
95.04959	4.4
95.08598	4.1
97.06526	0.9
97.10159	3.7
99.08024	0.5
103.05482	0.6
105.04475	0.4
105.07015	7.8
107.04952	4.0
107.08569	4.2
109.06476	1.6
109.10120	1.9
111.08038	0.8
115.05443	0.5
116.06200	0.5
117.06999	3.0
118.73377	0.4
119.04919	1.4
119.08558	6.4
120.05709	0.6
121.06488	3.0
121.10144	2.7
123.08051	1.7
123.11693	0.8
125.09563	1.9
128.06200	1.0
129.06981	2.3
130.07751	1.0
131.08562	3.8
133.06480	3.8
133.10107	2.4
134.07201	0.5
135.08087	2.4
135.11691	0.9
141.06949	0.4
143.08513	1.7
145.06461	0.4
145.10112	3.4
147.08046	4.9
147.11697	0.7
149.09653	1.9
149.13309	0.4
151.07520	1.5
157.10138	1.2
159.11684	0.7
161.09563	1.5
161.13184	0.8
162.10370	1.2
163.11166	1.2
165.09105	0.4
171.11664	0.5
173.39030	0.4
175.11163	0.8
177.12733	0.4
185.57858	0.4
189.12621	0.4
191.14380	0.8
207.13663	0.5
223.13278	1.3
227.17969	0.4
245.19096	0.8
249.14815	2.4
255.17261	0.6
261.14960	0.4
273.18506	3.8
280.35300	0.4
291.19501	100.0
292.19818	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	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05505	9.7
57.03440	1.5
57.07063	3.0
59.04993	2.1
67.05492	5.8
69.03411	2.6
69.07072	1.8
69.41368	4.2
70.41613	0.8
71.04990	4.6
79.05484	9.6
81.07048	6.7
83.04967	2.4
83.08619	11.7
84.10229	0.8
85.02879	1.3
85.06506	2.4
91.05464	7.0
93.07040	11.8
95.04961	6.1
95.08599	18.5
97.06518	5.4
97.10171	1.0
97.75037	0.8
105.07023	10.9
106.16840	0.9
107.04945	17.4
107.08595	9.1
107.90660	0.8
108.05776	1.1
109.06527	9.1
109.10136	3.1
111.08077	41.4
113.05977	0.8
113.09633	2.0
116.69800	1.0
117.06986	2.3
119.04977	0.8
119.08573	9.9
121.06494	2.8
121.10138	6.8
122.07269	1.8
123.08063	40.4
124.12119	0.9
125.09630	2.8
128.06136	0.7
129.06998	1.6
131.08534	6.4
133.06494	3.1
133.10106	9.8
135.08043	6.4
135.11688	3.1
137.09601	3.1
143.08545	2.2
145.10162	4.5
147.08049	2.9
147.11691	6.4
149.09602	8.5
151.07533	100.0
152.07863	2.0
153.09187	0.8
155.08488	1.0
155.10692	2.0
156.09297	1.9
157.10098	3.8
159.07996	1.2
161.09633	4.6
163.11130	3.3
167.10674	1.0
171.11673	3.5
173.09605	2.2
173.13235	8.1
174.10318	1.9
175.11177	4.7
177.09174	2.3
179.10716	4.6
179.20502	0.9
181.12190	2.1
185.13310	1.0
189.12730	29.2
190.13130	1.3
191.10614	1.4
191.14272	12.2
192.11421	4.1
197.11722	15.4
197.13301	1.9
207.13791	64.6
208.14186	1.4
211.13286	1.4
213.16417	3.1
215.14354	3.7
217.12244	4.4
231.17496	2.3
233.13037	1.6
233.15353	32.8
235.13249	2.3
249.18393	2.0
255.17398	1.9
273.18466	6.1
291.19513	47.2
292.19882	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02371	0.8
53.03946	3.0
55.01618	1.0
55.01871	16.8
55.05511	35.1
57.03439	3.7
57.07063	0.9
59.04996	1.2
65.03931	2.1
67.05502	31.8
69.03433	6.6
69.07067	12.0
69.58202	2.6
71.04993	3.9
77.03928	2.3
79.05492	65.3
81.03411	3.4
81.07055	68.2
82.07377	1.1
83.04981	4.8
83.08613	15.3
84.48318	0.6
85.02915	1.0
85.06542	2.5
85.81920	0.6
91.05477	45.3
93.07040	34.9
95.04966	25.7
95.08606	20.6
97.06528	3.1
97.10168	18.2
98.23372	1.3
98.40985	0.6
99.08143	0.8
103.05467	2.7
104.06270	0.9
105.03408	5.2
105.04486	4.0
105.07026	29.6
107.04950	16.7
107.05674	0.9
107.08588	21.8
109.06519	9.0
109.10155	7.8
111.04476	1.2
111.08089	7.1
115.05444	4.9
116.06235	2.6
117.07019	37.4
119.04962	4.5
119.08575	64.9
120.08926	1.3
121.06504	26.0
121.10139	11.8
123.04521	0.6
123.08067	8.0
125.09632	16.0
128.06221	3.5
129.07001	16.4
130.07764	2.3
131.04924	1.4
131.08560	21.7
132.05702	2.0
133.06494	10.7
133.10126	6.6
134.07291	0.8
135.04459	1.0
135.08055	16.0
135.11641	3.8
137.09616	2.8
141.07016	1.5
142.07787	2.3
142.93794	0.6
143.08542	12.0
143.10522	0.6
144.09389	1.0
145.06491	1.9
145.10124	30.3
147.08047	36.1
147.11690	3.2
148.08423	0.7
149.05869	0.7
149.09612	9.1
151.07538	10.7
151.11143	1.1
153.09077	1.7
155.05971	0.6
155.08530	1.3
156.09351	0.9
157.06459	1.9
157.10127	11.6
159.08084	5.9
159.11690	8.4
161.09605	13.2
161.13269	1.9
163.11194	7.5
165.09154	0.8
167.08614	1.1
169.10112	2.2
171.08043	1.2
171.10271	1.2
171.11642	5.9
172.12032	0.7
173.09586	3.0
173.13242	1.6
175.11163	4.1
177.09079	1.3
181.10147	1.3
183.11635	1.6
185.09589	1.5
185.13211	4.9
187.11143	1.8
189.11211	10.2
189.12767	3.2
195.11693	2.3
197.11740	1.5
199.11165	2.7
201.12598	0.7
203.14340	1.8
205.12239	1.0
207.13759	5.8
209.13228	1.0
213.12741	2.3
217.15765	1.3
219.13762	1.1
223.13214	5.3
225.76288	0.7
227.18002	2.9
229.23395	0.7
231.13869	1.5
237.16379	2.0
245.19022	4.0
249.14877	18.4
255.17462	7.8
273.18475	56.8
274.18851	2.3
291.02344	0.7
291.19525	100.0
292.19818	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.01556	1.9
53.03936	3.8
53.24444	1.8
55.01867	16.9
55.05505	62.5
57.03422	4.6
65.03935	3.4
67.05156	3.3
67.05495	45.7
69.03419	4.8
69.07062	18.9
71.04980	4.3
71.42966	2.4
77.19440	1.9
79.05484	76.4
81.03402	2.7
81.07048	74.7
83.04967	8.4
83.08611	18.2
85.06565	3.0
89.00591	1.9
91.05473	77.3
93.07040	28.6
95.04944	21.2
95.08596	19.7
97.06509	5.5
97.10157	35.5
103.05476	4.2
105.03371	6.0
105.04520	4.2
105.07014	34.4
107.04955	23.6
107.08587	27.1
109.06506	7.7
109.10125	11.2
111.08043	6.0
115.05448	5.0
117.00070	14.9
117.07005	37.0
117.14055	1.6
119.04951	4.5
119.08567	90.4
119.09427	4.4
120.08860	2.3
121.03153	3.5
121.06484	12.2
121.10146	11.0
123.08051	6.6
125.09614	26.3
128.06219	5.3
129.06999	13.6
130.07753	1.9
131.07666	2.3
131.08562	31.8
132.05695	2.4
133.04962	17.8
133.06474	9.0
133.10103	8.6
135.08046	18.5
135.11681	3.8
142.07742	3.0
143.08534	15.4
145.10107	30.6
147.08020	55.0
147.09152	3.9
147.11673	4.3
148.08344	2.3
149.09596	7.4
149.13309	2.4
151.07501	5.0
153.09077	3.2
156.09268	2.2
157.10112	9.0
159.07977	3.2
159.11650	12.3
161.09595	8.4
163.11140	4.7
165.09082	2.1
168.86497	1.8
169.10107	4.3
171.08055	2.1
171.11667	9.5
175.11191	3.7
177.02072	3.5
185.09624	3.1
185.13223	4.5
187.11295	2.2
189.11209	16.9
189.12672	3.7
195.11729	2.6
195.72696	2.0
199.11061	2.3
205.01685	6.2
207.13826	2.4
213.12822	2.9
223.13354	4.6
227.18085	2.5
237.16394	3.8
245.19011	3.8
249.14859	9.8
255.17377	13.8
273.18460	100.0
274.18854	6.9
289.53281	2.0
291.19482	60.0
291.22653	4.1
292.19870	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03935	3.8
54.01495	1.1
55.01869	12.8
55.05510	26.5
55.56018	1.3
57.03434	16.1
57.07070	6.8
58.06585	1.4
65.03937	3.0
67.05500	34.3
68.38634	1.3
69.03423	8.2
69.06705	1.8
69.07062	21.3
69.30913	4.7
69.31313	2.6
70.06592	11.3
71.04985	7.2
71.06896	2.3
77.03899	2.3
79.05486	51.7
81.03409	9.1
81.06565	2.3
81.07049	45.3
83.04978	14.1
83.08233	1.0
83.08628	10.1
85.06512	3.7
86.20894	1.4
88.07625	11.3
89.07947	3.9
91.05472	47.1
93.07038	47.7
95.04961	16.8
95.08596	27.4
97.06508	9.7
97.10162	4.5
99.08057	2.1
102.09165	7.1
103.05431	2.2
103.09548	1.6
105.04456	2.4
105.07026	38.4
107.04939	26.6
107.08581	24.6
109.06519	27.7
109.10149	9.4
111.04454	2.9
111.08092	4.2
113.05968	1.4
115.05460	3.0
116.06227	1.6
117.07008	20.4
119.04927	3.8
119.08577	25.0
121.06483	18.2
121.10122	16.9
123.08064	11.4
123.11700	2.7
125.09653	2.6
128.06161	1.7
129.06985	11.4
130.07762	2.5
131.08560	25.7
133.06453	8.6
133.10095	14.3
135.08044	43.2
135.11646	8.4
137.09593	3.9
141.06938	2.2
142.07741	1.8
143.08566	11.4
144.09334	2.5
145.10124	22.3
146.10419	1.3
147.08049	16.8
147.11674	9.5
149.09612	27.6
149.13217	3.0
151.07561	2.1
151.11194	2.0
155.08531	2.0
157.10112	9.5
159.08078	2.1
159.11671	9.1
161.09583	11.6
161.13144	1.6
163.11264	3.2
165.09036	1.4
169.10121	2.3
171.11655	9.5
173.09637	1.6
173.13243	3.9
175.11217	8.4
177.12831	2.4
179.10657	2.2
182.10432	1.3
183.11740	2.3
185.13266	5.4
187.11140	2.3
189.12688	1.6
193.12035	1.3
199.11148	2.4
199.14857	2.9
201.12730	2.5
217.15903	7.7
219.13780	3.2
227.17932	5.8
228.23227	4.4
229.23537	21.5
231.17451	1.8
237.16341	2.7
245.18980	8.0
255.17422	5.8
263.19998	2.1
273.18454	46.3
273.26013	1.9
274.18665	1.7
290.26825	1.4
291.19525	100.0
291.27167	56.0
292.19867	5.6
301.17807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05511	2.8
56.98019	1.6
57.07071	0.9
57.98801	1.2
58.14256	0.4
58.49693	0.4
58.99586	9.0
61.01148	1.5
63.02717	0.8
67.05505	2.9
68.99775	0.6
69.03416	0.5
69.07065	1.7
70.06593	0.9
70.99570	0.4
71.05001	0.6
71.42541	0.3
71.47449	0.3
72.00343	0.9
73.01144	5.3
74.99062	7.2
75.04484	3.2
79.05486	3.4
81.03411	1.5
81.07056	3.4
83.04999	0.6
83.08618	1.1
84.97490	37.9
85.01112	0.5
85.02888	2.0
85.06529	0.8
85.19820	0.4
87.02700	0.7
88.07626	1.0
89.00616	100.0
89.06042	1.4
89.86718	0.4
90.00963	0.5
91.02139	0.4
91.05466	2.9
93.07053	2.8
95.04970	2.1
95.08598	2.5
97.01089	0.8
97.06534	0.5
97.10184	0.6
99.99824	0.7
101.00597	1.4
101.02371	1.9
101.06053	0.4
102.09206	0.5
104.98302	0.8
105.05518	0.4
105.07027	2.6
107.04961	1.1
107.08588	4.4
109.06522	1.1
109.10136	1.1
113.02374	3.2
115.97530	6.8
117.00079	68.9
117.07007	0.5
118.00409	0.7
119.03407	1.0
119.08593	2.1
121.10123	1.4
123.08078	0.5
125.09620	0.9
127.01624	0.4
128.06261	0.4
128.75519	0.4
128.98302	1.8
129.99072	7.5
131.01643	3.6
131.04893	1.1
131.08546	1.2
131.97009	0.5
133.10135	1.5
135.08113	0.5
137.09631	0.4
141.00043	0.6
142.96207	9.2
143.08554	0.8
144.99545	42.0
145.04964	0.7
145.10143	1.1
145.99889	0.4
147.04758	1.0
147.11726	0.7
149.09631	1.0
149.13281	0.6
151.11182	1.4
155.08624	0.6
156.97786	1.3
157.03168	1.0
157.10002	0.5
159.01118	1.0
159.06506	0.9
159.11726	0.6
161.13275	0.7
163.11209	0.6
167.08519	0.6
168.99586	0.5
169.10074	0.5
173.13115	0.4
173.98053	17.9
174.98813	0.5
177.02144	4.5
179.08559	0.5
181.10152	0.4
182.55930	0.4
184.16969	1.0
184.97247	1.6
189.00391	7.1
189.11357	0.4
191.03734	2.6
193.10182	0.4
200.96756	1.7
201.02174	0.6
204.99875	1.6
207.11736	1.1
216.99850	0.8
217.10094	0.8
218.97964	0.5
220.58350	0.5
221.09622	0.5
223.11224	0.4
228.96313	0.5
230.23822	1.7
232.12451	0.6
232.99352	8.6
251.00394	3.7
257.18936	0.7
260.98865	55.4
261.99158	1.3
262.96686	0.5
265.15634	0.6
275.14230	0.7
275.20010	4.6
292.19806	0.5
292.27493	5.1
293.01465	30.5
293.11981	0.6
293.15213	5.8
293.20865	2.5
293.27844	1.0
294.01807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22209	3.1
69.36516	12.1
69.36922	4.5
78.92917	2.9
81.03416	4.0
98.22714	3.2
103.05470	9.8
131.04910	24.0
157.85274	3.4
162.76961	3.1
182.97934	3.2
188.97935	100.0
189.98170	3.9
206.98978	25.7
265.06717	3.8
270.48230	3.1
293.04080	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	21.4
56.96554	57.1
59.85176	18.3
70.02353	36.3
70.06597	52.4
72.08137	42.8
81.03415	21.0
84.08130	85.1
85.02885	38.6
86.09685	18.6
98.97588	100.0
98.98495	22.5
110.07155	29.3
113.05949	20.9
116.98601	83.9
120.08093	65.7
127.03931	31.4
129.10205	23.1
130.05051	18.8
134.99620	55.8
139.49945	17.2
149.42525	19.7
223.35277	16.9
237.02686	23.5
251.04433	20.6
265.65488	15.7
275.10791	20.8
292.98285	20.3
293.06473	57.7
293.11490	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35295	3.1
60.55644	3.4
62.52056	3.0
69.16605	20.8
71.16843	4.0
75.26868	3.3
76.41340	3.5
87.47533	3.5
93.13107	3.2
118.08616	8.1
161.99509	34.5
192.99910	6.5
201.07724	4.2
293.06232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0807
Annotation	4-Methoxyfurano[2'',3'':6,7]aurone
Peak:m/z	Relative Intensity
50.01605	0.3
51.02352	1.2
53.00087	0.2
53.00306	0.2
53.03934	0.4
55.01874	0.2
62.66180	0.2
65.03938	0.6
67.05495	0.9
68.99771	0.3
70.06581	0.5
70.45799	0.2
77.03922	10.4
79.05488	0.4
81.03424	0.4
84.08155	0.3
89.03915	0.7
89.71143	0.2
91.05470	2.2
93.03351	0.2
95.04964	3.1
98.22784	0.2
100.07607	1.0
103.05460	1.5
105.03388	45.5
105.04522	1.5
106.03732	0.7
107.04951	0.6
108.08085	0.2
110.09674	0.3
110.82684	0.2
115.05448	1.3
117.03384	0.9
120.02069	0.2
121.02919	0.3
122.09617	0.4
123.04411	0.5
129.03387	0.2
131.04916	3.0
133.02844	81.3
134.03177	1.5
135.04393	0.4
145.02826	0.4
151.03897	1.6
153.06900	0.2
159.04424	0.3
161.02330	26.3
162.02664	0.5
163.03882	0.4
165.07004	1.1
166.07780	1.3
167.08583	0.4
178.07730	0.4
179.03383	57.0
180.03674	1.1
181.06548	0.3
181.10101	1.2
187.03915	0.6
189.01819	100.0
190.02177	2.1
190.07776	0.8
191.03477	0.9
191.08542	2.2
194.07271	1.7
194.15379	0.6
195.07971	0.6
205.06523	0.3
206.15427	0.5
207.02881	23.6
208.03119	0.6
209.04433	0.5
209.07838	0.3
209.09610	3.0
215.03337	0.3
218.07309	0.2
219.08067	1.6
222.06664	0.5
223.07460	0.7
224.16414	0.3
230.04486	0.2
237.09087	13.3
238.09454	0.5
247.07581	0.9
251.07098	0.2
264.07721	0.3
265.08588	9.4
266.09039	0.3
275.07104	0.6
292.23862	0.4
293.08044	34.0
294.08386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0807
Annotation	Pinnatin
Peak:m/z	Relative Intensity
50.01595	0.3
51.02384	0.6
53.03931	0.5
55.01865	0.2
63.02374	0.2
65.03943	3.6
67.05495	0.2
68.99768	0.9
69.27016	0.9
70.06603	0.2
77.03925	7.7
79.05476	0.2
89.03891	1.2
91.05470	1.6
93.03413	1.2
95.01304	0.4
95.04968	2.4
97.05215	0.2
98.23413	0.4
103.05464	2.8
105.03392	15.9
105.04413	1.1
107.04945	0.2
120.02094	1.5
121.02869	1.4
131.04910	1.7
133.02852	15.4
135.04399	0.3
146.03612	0.3
151.03870	0.5
152.06122	0.2
159.04404	0.8
159.05576	0.2
161.02333	37.3
162.02774	0.4
163.03867	1.0
165.01805	0.5
165.07004	0.8
166.07755	1.0
167.08551	0.5
171.04398	0.2
179.03374	3.0
179.08530	0.4
180.05617	0.2
181.06544	0.3
181.10129	1.0
187.03888	3.1
189.01819	30.1
190.01091	1.2
190.07762	0.7
191.03404	3.8
191.08549	1.5
194.07254	0.9
195.07983	0.3
205.04831	0.2
207.02876	100.0
208.02995	1.9
209.03271	0.2
209.09564	1.7
215.03404	2.0
216.04109	0.2
219.08012	0.9
237.09102	5.8
238.09348	0.3
247.07582	0.5
250.06142	0.9
251.07002	1.4
265.08551	1.1
275.06961	0.3
292.07159	0.3
293.08063	96.6
294.08359	4.4
311.09134	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	293.1164
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03951	0.9
55.01858	5.0
55.05502	1.5
60.04514	1.1
61.00832	0.8
61.01145	13.2
69.40285	3.3
71.04983	1.3
71.06121	1.4
72.04511	12.9
73.02904	2.3
73.55056	0.7
77.00630	0.7
78.03788	29.3
81.03429	1.7
83.04974	3.7
84.08124	2.1
85.02897	21.4
86.06059	3.9
86.95239	0.7
89.41928	0.8
97.06514	1.7
98.02394	1.8
98.06047	1.1
99.04456	12.9
102.03756	42.2
103.02170	3.7
103.03933	33.1
104.01685	2.6
109.02872	7.4
112.07579	0.7
114.03756	3.6
114.05543	3.7
115.02183	1.1
115.05002	1.1
115.08661	1.1
120.04794	8.3
126.05504	36.9
127.03907	13.2
127.05811	0.7
131.06378	21.0
131.07330	1.4
131.12881	1.1
132.04779	16.4
141.06537	0.9
147.05862	2.2
147.71446	0.6
148.02435	1.4
149.07430	100.0
150.07736	1.3
152.07071	3.5
154.08609	4.0
156.06520	2.5
158.02693	1.0
158.08807	0.6
175.05356	4.1
180.06541	24.9
180.08145	1.2
186.05807	1.5
191.08499	1.3
198.07596	7.7
204.06833	1.0
216.08630	4.9
222.07973	1.7
231.11703	6.3
233.09613	1.3
248.12849	1.3
257.09555	3.0
275.10461	5.2
293.11615	73.3
293.66687	1.3
294.11847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.17940	0.7
53.03938	2.8
54.23849	0.7
55.01873	12.3
55.05508	21.9
57.03426	1.8
57.07073	1.0
59.05017	0.7
65.03944	2.3
67.05502	33.6
69.03423	1.8
69.07063	16.1
69.55179	0.7
69.68087	0.7
70.73836	1.3
71.04992	1.8
72.28584	0.6
77.03947	1.0
79.05491	38.3
81.03408	8.1
81.07053	30.7
83.04977	5.7
83.08622	8.7
84.25043	0.8
85.06524	2.5
91.05477	21.1
93.07040	27.7
95.04974	11.4
95.08601	22.7
97.06525	14.6
97.10161	10.7
99.08088	1.0
103.05445	1.5
105.04530	1.3
105.07026	27.4
107.04952	9.3
107.08590	46.8
109.06512	7.3
109.10146	9.8
111.08085	2.5
113.09660	0.9
115.05471	0.8
117.06996	6.5
119.06078	1.2
119.08578	15.0
121.06517	4.0
121.10135	11.8
123.08073	5.1
123.11706	4.0
125.09624	9.1
129.06992	1.6
131.08569	11.3
133.06496	1.6
133.10118	14.4
133.19186	0.7
135.08052	5.5
135.11690	7.7
137.09642	3.9
137.13260	0.8
139.11115	1.3
141.07004	1.2
143.08578	1.5
145.06551	1.0
145.10104	11.4
147.08069	1.6
147.11679	9.2
149.08464	1.5
149.09608	17.2
149.13258	3.4
151.11165	10.4
152.45572	0.7
153.09100	0.9
155.08559	1.6
157.10152	2.2
159.11673	10.3
161.09645	1.4
161.13255	3.9
163.11189	7.3
165.09117	9.4
169.10071	2.5
171.10272	1.1
171.11700	2.9
173.09666	0.8
173.13254	5.0
175.11201	2.9
177.12773	3.0
179.14258	1.3
181.12297	1.1
183.11662	1.8
187.11198	3.9
189.11212	6.8
189.12679	1.4
197.13239	1.4
201.12830	1.3
205.12296	0.9
213.16382	1.0
215.14320	1.2
215.17963	1.6
223.13179	1.1
229.19542	5.1
233.18983	1.3
237.14641	0.8
239.17836	3.7
247.20584	8.3
249.18411	0.8
257.18994	11.3
258.19409	0.9
275.20047	100.0
276.20404	5.4
293.17944	1.3
293.21075	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03935	7.0
55.01876	14.2
55.05508	86.4
57.03425	9.3
57.07062	7.3
59.04989	4.3
60.62759	2.1
65.03951	6.5
67.05500	100.0
69.03438	12.9
69.07063	47.3
71.04997	9.2
71.08643	4.0
71.42946	3.2
79.05488	83.7
81.03422	14.9
81.07050	78.3
83.04993	12.4
83.08617	40.1
85.06538	4.5
91.05476	53.2
91.65202	2.4
93.06448	3.9
93.07036	60.7
93.31812	2.8
95.04964	61.6
95.08601	62.1
97.06513	16.2
97.10159	29.3
99.04462	3.2
99.08079	2.9
100.04940	2.1
105.04509	4.9
105.07016	49.0
107.04950	8.6
107.08590	68.5
109.06501	15.3
109.10156	38.9
111.08073	7.3
114.72710	2.3
115.07542	2.1
117.07007	14.1
119.08566	36.8
121.06515	7.0
121.10143	27.5
123.08066	11.1
123.11700	8.6
125.09630	18.3
131.08553	21.8
133.06468	3.1
133.10123	29.1
135.08060	8.6
135.11710	7.9
137.09604	46.3
139.11176	13.0
143.08615	4.8
145.10115	17.7
147.08040	5.3
147.11658	21.2
149.09598	22.1
149.13158	2.4
151.11143	17.3
153.08965	3.2
155.08658	3.4
155.10658	7.5
157.10162	4.5
159.11647	13.9
161.13243	8.2
163.11140	11.3
169.10085	2.6
171.11662	4.7
173.11752	2.8
173.13220	6.1
175.11176	2.6
177.12691	3.2
183.11732	3.6
187.11078	3.6
187.14877	2.4
189.11186	12.2
193.12276	4.1
203.12711	3.9
223.13271	7.2
229.19475	4.7
231.73120	2.4
233.19019	2.4
237.14771	4.2
239.17894	4.3
247.20586	4.0
257.19107	8.0
275.17038	4.3
275.20047	84.1
276.20346	3.3
293.21030	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.02381	1.5
53.03945	7.4
55.01871	31.2
55.02139	1.7
55.05510	21.0
55.39452	0.9
56.25645	0.9
57.03440	1.9
57.07077	2.5
60.69139	0.9
65.03948	1.8
67.05499	40.8
68.05833	0.9
69.03437	1.8
69.07063	34.0
70.04071	9.2
70.67448	1.2
71.04997	3.0
74.85682	0.9
79.05488	41.0
81.03415	17.3
81.07052	41.5
83.04968	7.8
83.08623	8.9
85.06536	1.1
91.05474	26.5
93.07041	36.2
95.04957	13.2
95.08604	26.7
97.06529	32.5
97.10163	7.8
99.08082	1.3
103.05483	1.3
105.04469	1.7
105.07022	32.5
105.07736	1.7
107.04943	14.4
107.08588	41.3
109.06504	9.7
109.10153	9.1
111.08080	3.5
117.07007	8.8
119.08575	16.7
121.06489	7.1
121.10136	15.8
123.04454	1.2
123.08074	10.7
123.11720	3.0
125.01491	1.0
125.09618	9.2
129.07025	3.0
131.04977	1.5
131.08565	13.7
133.06502	2.0
133.10109	18.1
135.08047	6.6
135.11679	10.6
137.09615	6.0
139.11172	1.1
141.06981	1.7
143.08566	2.9
144.62212	1.0
145.06487	4.2
145.10117	14.3
147.11673	11.9
149.09618	23.8
149.13242	4.9
151.11172	16.4
155.08502	1.7
157.10170	2.2
159.11678	14.1
161.09651	3.1
161.13243	4.7
163.11154	10.0
165.09093	18.1
165.12874	1.5
169.10123	5.1
171.11714	4.3
173.13242	6.7
175.11232	1.4
177.12747	4.8
179.14282	4.2
181.10106	1.8
183.11697	2.8
185.11421	1.0
187.11188	8.6
187.14827	2.2
189.11241	3.3
189.12775	1.5
191.14505	0.9
195.11809	1.2
195.13626	1.0
197.13275	1.8
200.72600	1.2
205.12225	1.1
215.14368	1.1
215.17970	3.0
217.10191	1.3
229.19450	5.9
233.18982	1.8
239.17949	3.5
247.20555	10.4
257.18988	12.5
275.01395	1.0
275.20050	100.0
276.20313	3.4
289.14661	1.1
293.15521	7.4
293.20990	26.0
294.13593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03934	5.3
55.01876	10.5
55.05511	29.1
57.03441	7.8
57.07065	4.8
65.03922	3.7
65.37280	1.4
66.04703	1.6
67.05499	49.9
69.03417	3.9
69.07069	36.5
69.07708	10.7
71.04985	10.9
78.97445	1.8
79.05492	52.7
80.50612	1.8
81.03432	11.7
81.07053	100.0
83.04986	5.6
83.08620	16.7
85.06532	4.6
85.82169	1.6
91.05476	36.7
93.07035	38.4
95.04965	38.9
95.08602	38.7
97.06539	7.8
97.10176	6.1
98.22665	2.5
99.08074	2.1
103.07548	1.6
105.07018	39.5
106.07430	1.6
107.04954	8.3
107.08587	30.7
109.06514	28.1
109.10142	15.3
110.06973	1.5
111.04453	1.9
111.08064	8.1
117.07027	10.6
119.08572	35.5
121.06551	4.0
121.10130	19.1
123.08062	25.5
123.11698	8.7
124.84208	1.6
125.09589	4.1
127.07583	1.9
129.06989	4.2
131.08572	14.7
133.10120	19.7
135.08064	9.9
135.11690	7.3
137.05957	29.8
137.09598	11.4
139.11069	3.1
143.08560	3.8
145.06500	10.7
145.10126	13.0
147.08032	2.1
147.11685	23.6
149.09589	14.1
149.13260	3.9
151.11166	9.5
155.08540	2.7
157.10127	3.6
159.11708	8.7
161.09605	3.6
161.13287	4.8
163.11209	7.0
165.12740	4.6
167.10643	1.9
169.10118	2.3
171.11716	3.3
173.09595	1.9
173.13283	7.0
175.11200	5.3
177.12804	2.2
181.12202	1.7
183.11687	4.5
185.13313	4.0
187.14786	3.3
191.14304	2.1
197.13277	2.3
201.12764	3.9
205.15854	5.9
207.13858	2.4
209.11855	3.0
215.14197	1.8
221.15266	2.1
223.13379	1.7
225.14830	1.7
229.19536	2.9
237.11250	3.3
237.14803	3.7
239.17958	2.8
247.17070	2.3
247.20558	4.0
257.18936	8.4
275.20053	62.3
276.20386	2.7
293.21002	45.2
294.21268	2.5
308.30685	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	7.9
55.01873	13.7
55.05507	31.1
57.03431	3.3
67.05502	57.3
69.03411	3.5
69.07070	22.7
69.66242	10.2
69.66604	4.0
70.55694	2.6
71.04981	5.9
79.05486	54.7
81.03406	10.2
81.07048	76.4
83.04977	8.1
83.08618	18.3
91.05472	34.0
93.07032	36.2
95.04977	21.9
95.08598	33.1
97.06525	14.5
97.10171	9.0
105.07021	40.9
107.04955	13.9
107.07925	4.3
107.08588	55.0
109.06516	17.6
109.10155	13.2
111.08077	5.7
117.06987	11.8
119.08579	23.5
121.06504	8.2
121.10135	19.9
123.08059	9.9
123.11692	5.1
125.09595	9.3
129.07031	3.4
131.08543	15.5
133.10129	29.0
135.08020	9.2
135.11652	9.4
137.09578	9.2
145.10117	13.7
147.11641	16.4
149.09604	16.8
149.13281	8.1
151.11176	8.5
157.10118	3.2
159.11673	10.2
161.13228	6.1
163.11156	9.1
165.09111	8.4
165.12720	3.1
169.10010	3.9
173.13249	7.6
175.11180	3.5
175.14830	2.6
178.16292	3.0
178.86858	2.8
179.14371	2.5
183.11676	3.7
187.11269	4.7
189.11220	6.3
197.13394	4.1
229.19463	5.4
239.17903	5.5
247.20450	6.6
257.19040	17.0
275.20035	100.0
293.20990	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.74425	1.8
53.03946	1.7
55.01877	4.5
55.05504	24.0
57.03430	2.1
57.07081	2.2
57.66950	1.9
59.05027	1.9
67.05502	17.7
69.03427	2.1
69.07053	8.8
69.73677	3.1
69.74044	4.1
74.69608	1.8
79.05489	39.3
81.03425	1.9
81.07049	18.9
83.04996	3.5
83.08612	13.2
83.75313	1.9
85.15495	1.8
86.69538	2.2
91.05463	28.8
93.07037	14.2
95.04998	3.1
95.08589	11.4
97.06547	4.1
97.10163	18.8
98.22636	2.6
100.57063	1.9
105.04501	2.2
105.07021	28.2
107.04951	10.2
107.08588	100.0
107.98824	1.9
109.06554	5.5
109.10184	5.0
111.08111	2.1
117.07042	6.3
119.06088	2.3
119.08564	14.6
121.06516	2.1
121.10137	4.6
123.08066	3.3
125.09619	19.7
128.11046	2.2
129.06984	2.6
131.08568	10.3
133.10109	15.5
135.08020	3.4
135.11694	4.3
143.08653	3.3
145.10135	10.9
147.11714	13.9
149.09616	21.0
151.11140	5.5
155.08501	3.9
159.11702	8.1
161.13258	4.4
163.11176	2.8
171.11674	4.0
173.13222	2.9
181.12244	2.4
183.11600	2.6
189.11272	14.2
189.85075	1.9
195.59953	2.0
211.14925	2.2
237.16541	2.2
239.17949	4.1
243.51204	2.1
251.17989	2.1
257.18994	10.7
265.85886	2.0
275.20029	69.1
275.22906	3.9
293.15274	2.7
293.23019	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03949	1.5
54.60714	1.0
55.01865	6.1
55.05508	14.8
57.03429	2.3
59.04973	1.4
60.29060	1.1
65.03929	1.5
67.01675	1.1
67.05161	1.3
67.05499	19.2
67.45006	1.0
69.07062	51.6
70.04071	100.0
71.04973	3.5
79.05486	22.6
81.03417	10.5
81.07050	18.0
83.04976	5.5
83.08590	5.2
85.02903	1.7
85.06528	2.5
91.04950	1.1
91.05476	14.6
93.07043	20.2
95.04961	56.1
95.08599	12.6
97.06526	7.7
97.10123	4.0
98.12888	1.1
105.07017	14.2
105.13388	1.1
107.04961	9.3
107.08581	16.2
109.06504	5.4
109.10134	6.0
115.05467	1.9
117.07011	6.8
119.08534	8.1
121.06468	4.0
121.10129	10.9
123.08057	3.3
124.30987	1.3
125.01523	4.8
125.09627	2.9
129.06999	1.3
131.08548	8.2
132.62773	1.2
133.06450	1.2
133.10121	11.8
135.08055	16.6
135.11635	2.7
137.09592	3.0
139.11128	4.2
143.08554	2.0
145.10106	7.0
147.08029	2.0
147.11665	5.6
149.09610	6.4
151.03035	3.1
151.11177	5.2
157.10109	2.1
159.11659	5.9
160.91676	1.2
161.09590	2.4
161.13277	1.6
161.79500	1.3
163.11176	1.3
171.11621	1.7
173.13348	2.1
177.05437	5.2
177.12709	7.1
178.06235	4.1
183.11707	1.6
187.32617	1.0
191.14267	2.6
201.12720	1.7
203.12778	3.7
207.13776	4.0
219.13756	1.6
219.17538	1.2
225.14780	2.0
233.11632	5.5
237.14801	18.5
247.20486	1.7
251.16370	1.4
257.18958	2.7
265.06073	1.0
275.20035	32.4
276.20328	1.8
293.15717	1.8
293.21036	45.4
294.10486	2.0
294.13644	22.7
294.21173	2.2
294.24066	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	6.5
55.01863	10.6
55.05504	29.1
57.07069	11.1
57.14292	3.4
58.33014	3.3
65.03941	4.9
67.05497	45.8
69.07063	29.1
71.04984	4.7
79.05486	42.0
81.03409	18.3
81.07051	88.7
83.04981	12.8
83.08600	20.6
84.93191	3.5
85.06523	5.4
91.05474	35.6
93.07041	40.5
95.04953	24.8
95.08594	36.8
97.06534	12.0
97.10200	6.3
99.08096	5.1
105.04434	3.8
105.07011	38.8
107.04947	15.4
107.08594	41.2
109.06525	22.9
109.10125	18.5
111.08051	6.3
117.07002	15.1
119.08600	22.9
121.06529	8.3
121.10118	16.7
123.08059	100.0
123.11674	5.4
125.09639	7.0
131.08556	18.1
133.10101	24.5
135.08054	13.4
135.11682	9.2
137.09595	10.3
145.10129	18.4
147.11674	19.4
149.09622	16.2
151.11160	38.0
153.30217	4.3
157.10040	6.7
159.11699	8.8
161.13268	8.5
163.11172	14.0
165.12781	6.1
171.11670	5.5
173.13275	7.0
177.01041	4.0
177.12758	5.5
181.04910	4.8
187.14986	4.7
209.11726	7.5
229.19466	6.8
237.11206	12.3
239.17934	6.8
257.19034	13.2
275.20035	77.4
276.20508	4.3
293.15601	4.9
293.21051	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.02365	1.8
53.03936	4.6
55.01867	5.7
55.05506	18.4
57.03432	2.4
57.07058	5.7
61.91519	1.5
65.03928	1.5
66.42295	2.1
67.05158	2.9
67.05499	39.4
68.21709	1.5
69.03423	3.4
69.07066	24.1
69.16885	4.4
69.17295	5.9
71.04993	4.2
77.69171	1.6
79.05484	23.8
81.03415	11.3
81.06564	2.2
81.07045	39.6
81.07507	2.8
83.04948	9.0
83.08602	6.0
85.06548	4.0
91.05468	23.2
93.07028	26.0
95.04964	18.3
95.08600	25.3
97.06520	4.5
97.10153	4.1
103.98738	1.8
105.07015	26.3
107.04977	10.1
107.08581	21.4
109.06507	11.9
109.10139	13.5
111.08066	3.1
117.06276	1.6
117.07017	6.9
119.08559	15.9
121.06490	12.2
121.10099	11.7
123.08060	6.7
123.11697	4.0
125.09649	1.8
129.06964	3.4
131.08556	15.0
133.10107	15.3
135.08022	5.6
135.11676	4.8
137.09587	12.5
143.08517	3.2
145.10107	13.0
147.08014	4.4
147.11647	10.1
149.09569	10.8
151.11185	9.7
155.08569	4.4
157.10098	5.6
159.08011	2.6
159.11655	9.2
161.09619	3.1
161.13139	2.1
163.11154	5.0
165.09138	2.2
165.12775	2.1
169.10124	4.4
171.11702	4.2
173.09648	2.8
173.13208	4.1
175.11180	3.8
177.05482	2.2
179.14444	2.0
181.10153	4.1
183.11705	5.7
185.13210	2.0
191.14272	3.0
195.11662	4.8
197.07265	2.0
197.13222	5.4
199.14830	1.9
201.12737	2.5
207.11871	3.0
207.13741	2.5
209.13258	4.8
211.14725	2.3
215.17892	1.9
219.13710	3.7
223.13013	2.3
223.14877	3.8
231.17513	2.1
233.11531	2.5
237.11237	2.1
237.16353	4.6
239.17938	3.5
247.20604	5.1
257.18948	9.7
275.20044	100.0
276.20401	2.8
293.15356	5.1
293.21222	32.9
294.21375	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03936	10.1
55.01869	98.4
55.05258	5.9
55.05507	82.4
56.22115	3.0
56.36821	3.1
57.03425	5.2
57.07071	29.8
65.03934	5.6
67.05501	76.7
68.18816	3.1
69.03426	8.6
69.07065	42.6
71.04982	11.3
71.08621	12.6
73.37086	3.2
79.05042	4.5
79.05486	70.0
81.03415	31.6
81.07052	90.4
83.04987	18.6
83.08612	27.0
85.06518	10.9
91.05475	60.8
93.07043	63.7
95.04961	84.3
95.08605	62.8
97.02896	4.7
97.06524	10.3
97.10151	21.4
97.33221	3.2
99.08065	6.2
105.07023	40.4
107.04956	39.4
107.08597	32.5
107.60336	2.8
109.06523	25.5
109.10153	29.7
111.04417	20.5
111.07298	3.0
111.08086	11.8
117.06992	13.6
119.08588	40.2
119.84784	3.9
121.06484	17.4
121.10148	21.4
123.04382	6.5
123.08064	30.3
123.11721	7.8
125.05982	4.4
125.09628	100.0
131.08556	23.9
133.06493	6.5
133.10127	29.7
135.08067	19.1
135.11667	13.8
137.02429	3.9
137.09628	37.5
137.13287	4.7
141.06958	4.5
141.09030	4.3
143.89880	3.0
145.10118	24.2
147.08054	6.7
147.11679	9.1
149.09601	24.9
149.13188	5.2
151.11169	46.2
153.09055	4.2
153.12796	4.1
159.07994	3.8
159.11638	19.6
161.09578	10.1
161.13312	6.5
163.11137	24.6
163.14842	5.5
165.09090	6.6
165.12753	6.7
167.10620	10.8
169.10091	3.8
173.13246	7.3
175.11250	4.4
177.05492	4.1
177.09059	4.0
177.12727	29.8
179.10655	4.8
179.14308	3.9
181.04955	4.5
181.12250	9.5
183.11629	4.2
187.11197	5.8
191.10645	13.5
191.14308	9.8
193.12289	3.6
201.12737	3.5
205.12143	4.1
209.09908	4.6
209.11707	23.3
221.11630	3.4
223.13231	4.9
225.15143	3.3
229.19513	11.4
237.11172	20.6
239.17949	5.7
247.20547	13.0
257.18967	12.6
275.20044	63.0
293.21075	95.7
294.21326	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03946	2.8
55.01867	14.9
55.05259	3.9
55.05510	64.8
57.07049	2.8
67.05162	3.0
67.05501	42.1
69.03410	6.7
69.07054	10.8
69.83695	7.9
78.10320	2.1
79.05489	94.6
81.03424	3.4
81.07057	31.9
83.04952	12.1
83.08624	22.9
91.05475	31.0
93.07039	43.3
95.04949	7.7
95.08596	8.5
97.06517	7.0
97.10163	30.5
105.07024	26.3
107.04951	48.7
107.08589	69.1
109.06501	2.7
109.10164	16.9
109.44365	2.4
111.08094	3.7
117.06995	9.9
119.08590	22.5
121.06441	3.0
121.10124	16.9
123.11708	7.8
125.09631	42.7
131.08551	13.3
133.10159	15.4
135.08029	11.6
135.11656	7.8
143.08481	2.5
145.10141	8.5
147.11682	17.0
149.09608	95.3
151.11165	4.3
153.09114	6.0
155.10612	2.4
159.11714	6.6
161.13254	7.3
163.11235	2.9
163.14809	4.7
170.83379	2.3
171.10181	6.1
173.13274	4.8
175.11089	2.6
177.12724	3.4
187.13287	2.9
189.11244	26.4
189.12833	3.7
191.14366	3.2
196.10435	2.6
229.19495	11.0
237.11095	3.6
247.20525	3.4
257.18915	19.0
275.20041	100.0
293.21078	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03931	4.9
55.01873	6.6
55.05511	29.5
57.03435	8.9
57.07069	3.5
60.59291	1.9
63.67180	1.9
63.74376	1.9
65.03938	1.9
66.40997	2.0
66.76044	1.8
67.05161	3.3
67.05501	49.3
69.03413	3.5
69.06712	2.9
69.07063	33.9
69.30625	10.7
71.04967	9.3
79.05045	2.9
79.05486	44.3
81.03403	7.1
81.07053	100.0
83.04978	8.6
83.08621	15.0
85.06540	4.0
89.07987	1.7
91.05478	34.9
93.07035	38.2
95.04969	33.7
95.08598	35.0
97.06499	9.3
97.10165	6.4
98.23493	2.4
99.08112	2.4
105.04505	2.5
105.07019	38.1
107.04950	8.0
107.08585	24.4
109.06519	24.7
109.10162	16.4
111.08070	5.8
115.05335	1.9
117.07043	10.2
119.08581	28.4
121.06470	3.8
121.10135	17.8
123.08070	19.2
123.11697	7.6
125.09646	4.0
129.06993	4.3
131.08530	15.8
133.10138	20.0
134.24521	1.9
135.08084	8.7
135.11681	7.6
137.06013	10.8
137.09634	10.9
139.11150	4.1
145.06471	4.1
145.10121	14.8
147.07979	1.8
147.11670	20.7
149.09615	8.6
149.13255	3.4
151.11189	7.9
151.28139	1.7
153.09103	2.5
157.10179	3.3
159.11659	12.9
161.09651	2.0
161.13258	4.2
163.11163	9.2
165.12758	3.2
171.11665	2.0
173.13246	7.0
175.11197	3.3
177.12749	3.8
183.11615	2.2
189.12790	2.1
191.10670	2.7
193.12193	2.4
195.13893	1.9
205.15894	3.6
207.13808	2.8
219.17453	2.6
221.15312	2.6
223.13272	2.4
229.19467	3.3
237.14857	3.3
239.17924	3.7
257.19012	7.7
275.16992	4.1
275.20035	68.1
276.20468	2.7
293.21072	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1001
Annotation	TRIADIMEFON
Peak:m/z	Relative Intensity
55.01857	0.5
55.05505	3.9
56.05849	0.4
57.07072	33.8
66.59305	0.4
67.05502	3.8
69.07063	100.0
69.88928	1.1
70.04068	0.7
70.07405	1.3
70.07845	8.1
72.87112	0.4
77.22896	0.3
79.05488	1.1
81.07033	1.9
82.07390	0.4
83.04900	0.6
83.08617	0.6
85.06534	0.5
91.05472	1.9
92.79585	0.3
93.03381	0.4
93.07048	1.2
94.04172	0.6
95.04976	1.5
95.08599	0.8
98.22776	0.5
99.00003	5.1
103.03152	1.1
105.04585	0.4
105.07030	1.5
107.08626	0.6
109.06523	0.5
109.10152	0.6
110.99955	0.4
113.01553	3.0
115.07560	32.3
115.36257	0.4
116.07897	0.5
119.08565	0.9
121.10090	0.6
126.99457	11.6
127.03082	0.5
129.01021	14.2
131.08496	0.5
133.10129	0.8
139.00606	2.7
139.59290	0.4
141.01010	20.5
143.08571	0.4
145.35272	0.4
147.08084	0.5
155.02579	8.4
157.10150	0.5
161.09616	0.9
167.10567	0.4
169.00525	0.5
169.10097	0.4
181.10132	0.4
190.09764	0.4
193.10109	1.2
197.07266	80.3
198.07567	2.2
203.61177	0.4
205.10143	0.4
207.11691	1.5
208.12553	0.4
211.14822	1.6
219.11606	0.4
220.12437	1.0
221.13258	0.9
225.06738	6.0
234.13937	0.6
235.14740	2.5
236.15637	0.6
249.12749	0.4
249.16402	1.2
249.56190	0.4
266.13107	0.4
267.13535	0.3
276.20370	1.0
277.12299	0.4
294.09988	25.5
294.21341	1.0
295.10278	1.2
295.13315	1.5
295.16898	4.3
300.26489	0.4
309.98657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1125
Annotation	Gusanlung D
Peak:m/z	Relative Intensity
50.93641	0.2
55.01873	0.6
63.97173	0.2
64.07231	0.2
67.05494	0.3
68.05009	0.3
70.67776	0.4
77.03926	0.3
77.06722	0.2
79.05485	1.5
89.12290	0.2
89.59641	0.2
91.05457	0.6
92.04998	0.5
94.06561	2.2
95.01330	0.5
95.04976	0.2
100.07613	0.2
105.03384	0.3
106.06546	2.6
107.04946	0.6
116.04940	0.3
117.05725	0.3
118.06522	0.6
120.04494	1.3
120.05224	0.3
122.05213	0.4
122.06030	3.4
134.06012	4.8
144.05507	0.3
146.06010	13.8
147.06348	0.4
152.07117	0.2
162.02718	0.3
162.05463	1.7
172.04132	0.2
188.97969	0.2
190.04993	100.0
190.99681	0.3
191.05312	2.5
207.02914	0.2
208.03223	0.5
208.06100	0.7
209.00804	0.6
252.10094	0.3
277.21613	0.2
284.59418	0.2
294.08615	1.3
294.11237	32.2
295.11612	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	294.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01872	2.2
55.05501	3.7
58.06595	1.5
59.04985	1.9
67.05499	7.4
69.03433	1.5
69.07065	3.8
69.22442	3.8
69.22848	2.2
72.04511	3.6
75.04471	2.0
79.05492	8.6
81.07064	6.3
82.07368	1.6
83.05007	1.6
83.08607	2.5
84.08147	1.6
85.06532	2.1
88.04003	1.8
89.00622	2.3
91.05476	23.0
92.05833	1.4
92.92392	1.1
93.07053	5.9
95.04968	3.7
95.08598	4.2
97.10168	2.3
100.21003	1.1
102.05517	1.7
105.07018	14.2
107.04943	3.9
107.08575	10.2
108.08926	3.1
109.06512	4.2
109.10180	2.7
115.05458	11.6
116.06251	2.1
117.07023	11.9
119.08591	11.3
121.06480	7.2
121.10143	2.9
123.08052	2.5
124.05196	3.4
126.05525	1.2
127.01553	7.0
128.06239	2.8
129.07016	6.5
131.04930	2.4
131.08571	1.9
132.05708	3.2
133.06474	19.1
133.10121	1.8
135.04378	2.2
135.08064	4.9
136.05203	2.5
137.05930	1.9
137.09596	1.3
138.06749	2.3
139.07533	3.3
144.05685	4.0
145.06441	9.6
145.10118	1.4
146.07248	1.5
147.08052	18.8
149.05951	3.4
149.09612	10.3
151.07556	12.0
157.06497	4.8
158.09624	2.4
159.08006	6.1
160.05232	1.9
161.05965	34.8
161.09627	1.8
162.06674	3.9
163.07549	7.8
164.08313	4.4
165.09161	1.7
173.06013	3.4
173.07257	1.4
174.06723	1.8
174.08986	1.5
175.04048	1.8
175.07535	27.1
175.09865	2.0
176.08322	46.0
177.05521	2.7
177.09085	16.8
179.03423	3.3
179.10660	36.2
186.09096	1.5
187.07504	10.9
188.07043	1.2
189.05479	6.3
189.09090	2.6
189.11124	1.1
190.06241	81.5
190.12238	1.4
191.06651	2.0
192.07840	4.7
193.08617	4.5
202.08505	5.5
203.07529	1.1
203.09395	7.4
205.08598	100.0
206.09013	1.8
207.10156	74.9
208.10374	1.6
209.11749	1.3
218.11775	5.7
219.06604	7.4
219.10100	7.3
223.09613	2.4
230.08022	2.4
237.11224	22.2
247.27794	1.1
249.12965	1.6
250.14465	7.2
251.09128	12.4
258.19528	1.3
261.99362	1.2
262.10709	11.7
263.11258	1.6
275.20370	1.3
276.20453	6.4
277.12262	1.6
294.13342	48.5
294.21283	2.4
295.13379	5.0
306.36459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	6.4
69.07066	3.2
70.06579	2.9
70.33739	3.7
72.08151	2.3
76.18969	2.0
83.06105	57.8
84.04498	62.8
84.08140	26.4
85.02887	2.7
86.09711	4.6
100.75558	1.8
101.07118	9.2
103.05463	2.4
115.03915	1.7
117.71675	1.8
120.08100	100.0
129.10254	5.6
130.08640	4.5
132.10110	1.7
136.06210	1.9
136.94110	3.0
147.11272	4.0
151.03931	3.7
164.67871	1.9
166.08638	31.4
186.09193	6.5
193.44858	1.7
210.90041	2.2
228.90919	3.8
230.12863	5.1
231.11293	26.7
246.20898	1.7
246.92064	2.6
270.92068	4.5
276.10452	2.4
276.13419	48.7
277.11755	23.5
288.92941	4.3
294.14731	2.9
294.18167	6.5
295.13293	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	294.1813
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
55.05499	0.4
56.05032	3.1
56.96542	0.4
60.05624	0.4
67.05494	1.2
70.06586	3.9
70.44916	0.3
71.41869	0.3
72.08162	0.5
82.90962	0.2
84.04501	0.5
84.08138	100.0
85.02930	0.5
85.06564	0.3
85.08467	1.4
86.09696	1.6
88.03970	0.4
94.06575	0.5
97.02850	0.5
101.10776	3.4
102.09176	0.4
103.05470	0.6
110.07123	0.4
112.07619	0.6
116.17992	0.2
120.08098	11.0
121.08367	0.3
128.98738	0.3
129.10237	15.3
130.08640	5.3
133.07622	0.4
138.05479	0.4
147.11281	7.4
147.12376	0.5
161.99471	0.4
165.10292	0.3
173.07684	0.3
177.00974	0.5
194.05322	0.4
208.02155	0.3
217.02232	0.3
219.01938	0.9
229.00522	0.9
230.13847	0.7
231.14944	0.5
235.03285	2.6
235.07700	0.3
249.12740	1.2
252.07912	0.6
253.00415	0.8
253.04234	6.4
258.13266	0.5
259.14301	0.4
260.12817	0.3
262.09912	0.7
266.09485	0.5
270.92093	0.5
271.01486	0.7
276.14313	0.9
276.17065	0.9
277.05450	1.3
277.12155	1.3
277.15448	5.2
280.10898	0.3
288.93036	0.4
294.18097	10.4
295.06442	1.9
295.13281	3.3
295.18365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.2
57.07062	0.8
57.41411	0.2
58.02954	0.3
66.04691	0.3
67.05489	0.7
69.07079	0.2
69.51852	1.0
71.08633	0.3
79.05486	0.8
80.59202	0.2
81.07056	2.3
91.05484	0.6
94.04182	2.7
95.01321	0.5
95.04942	0.3
100.07613	0.4
107.04985	0.4
109.06489	0.5
115.04084	0.2
122.03642	7.8
123.11700	2.1
137.05966	100.0
138.06297	1.5
158.15396	1.8
163.03943	0.3
170.15428	2.0
185.48512	0.2
190.04985	1.0
191.03423	0.2
205.60753	0.2
209.00809	0.5
210.12144	0.2
238.11604	0.3
294.04590	0.5
294.11203	0.3
294.20679	0.3
295.16785	0.3
295.72781	0.2
303.34854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.65739	0.3
53.00292	0.3
55.05498	0.3
57.07062	1.5
66.04720	0.4
67.05491	0.6
71.08633	0.8
79.05486	1.2
81.07047	1.1
81.76409	0.3
84.81187	0.3
91.05471	0.8
94.04180	2.7
95.01335	0.9
107.90240	0.3
109.06500	0.4
122.03638	7.8
124.11249	0.4
131.97151	0.3
137.05974	100.0
138.06296	2.0
141.12701	2.6
158.15434	1.6
170.15410	0.9
189.98218	0.4
190.04980	1.0
190.99736	0.9
209.00835	1.0
220.50055	0.3
273.36536	0.3
277.21597	0.4
294.04544	0.5
294.07687	0.4
294.11121	0.6
294.20685	0.5
295.13330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.3
53.03949	0.5
55.05511	0.2
58.98286	0.2
59.83164	0.2
64.87299	0.2
65.03940	0.4
67.01865	28.2
67.05497	0.3
68.02198	0.2
68.99779	1.8
69.03430	1.2
70.68221	0.3
71.04993	0.3
77.00300	0.9
79.01856	1.5
80.05014	0.2
81.02957	0.4
81.03418	5.4
81.66478	0.2
84.04528	0.4
89.23547	0.2
92.99773	0.7
93.03397	0.2
95.01329	56.1
96.01676	0.8
97.02901	0.5
99.04471	0.3
103.05473	0.3
105.07041	2.6
107.01323	0.9
108.04507	0.2
109.02890	1.9
111.04466	0.4
113.02361	0.3
121.66557	0.2
123.00816	0.9
131.04945	0.4
135.00777	3.1
151.03914	8.6
151.05038	0.7
163.00264	6.2
168.02878	0.3
169.04974	0.4
177.35469	0.2
181.01312	14.2
190.99750	34.4
192.00089	0.8
199.02422	0.9
204.02928	0.2
206.99202	1.0
209.00809	100.0
210.01141	2.2
211.01242	0.2
221.05867	0.2
232.02434	0.4
235.15436	0.2
239.17583	0.2
250.03497	0.2
253.04985	0.4
277.04956	1.0
277.11804	0.2
278.03003	0.2
295.05475	4.5
295.08411	1.6
295.13113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.4
51.02177	0.3
51.02383	1.1
53.00307	9.8
53.03939	1.3
63.02378	0.3
65.03938	1.1
67.01862	5.2
67.05496	0.5
68.58459	0.3
68.99788	13.1
69.03440	1.5
71.04967	0.4
77.59531	0.3
79.01851	4.0
79.05502	0.4
81.03415	13.3
81.07040	0.4
83.65553	0.3
91.01852	0.6
91.05470	0.7
93.03416	0.8
95.01327	100.0
96.01655	1.1
97.02890	0.7
99.04457	0.5
105.07043	0.7
107.01325	3.2
107.08531	0.3
108.02114	0.7
109.02866	3.6
111.04430	0.8
118.04182	0.5
119.01303	6.4
120.99303	0.3
121.02888	0.3
123.00770	1.6
131.04944	0.9
135.00772	24.3
139.00284	0.5
141.05426	0.4
151.03909	15.4
151.05022	1.8
163.00262	18.8
163.03912	0.7
164.00607	0.5
166.99802	0.3
169.04927	0.7
181.01312	22.3
182.01651	0.5
190.05138	0.3
190.82745	0.3
190.99748	54.6
191.03401	1.3
192.00105	1.5
192.06612	0.3
198.73419	0.3
206.10893	0.3
209.00806	65.2
210.01183	1.3
227.01906	1.1
280.10889	0.3
295.05396	0.5
295.08408	4.6
295.13263	0.8
295.16483	0.4
296.06387	0.4
310.75455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24007	1.2
60.05647	5.4
67.50656	1.4
68.05035	2.1
70.06590	38.8
71.66190	1.0
74.97836	1.5
97.07645	6.0
97.69630	1.4
98.06065	1.4
104.10676	1.8
111.30988	1.2
112.08716	2.6
115.08740	1.6
130.09781	1.8
136.07552	3.2
137.86322	1.4
143.13499	1.4
151.03900	2.9
152.06848	1.9
153.03787	2.0
154.08623	9.8
155.06664	3.0
156.05052	1.5
157.10861	1.2
164.07117	1.7
169.09367	2.2
169.79707	1.2
171.10872	2.4
173.07739	12.7
174.06166	1.2
177.00919	5.0
178.01007	1.3
189.12007	3.3
198.01378	1.6
208.02202	5.0
210.89999	1.6
215.09888	2.9
217.02283	4.1
218.00694	1.6
219.01993	19.5
220.02130	3.4
221.01883	1.3
226.03224	3.4
230.03725	1.7
233.10928	2.7
235.03195	44.1
236.03514	10.0
253.04095	100.0
254.04581	5.3
272.03732	3.4
277.05478	23.9
277.11838	6.5
288.97379	1.4
295.06479	45.9
295.13110	5.2
317.14532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
52.03168	0.4
53.03947	7.4
55.01870	1.0
57.03433	0.5
65.03938	4.8
67.05498	2.0
69.03426	10.8
69.03806	0.5
69.07063	0.3
69.61469	0.8
71.04990	1.9
72.45773	0.2
77.03931	0.4
79.05490	0.5
80.02612	0.3
81.03413	59.9
81.50488	0.3
82.03746	0.8
85.02900	3.8
87.04475	0.3
91.05511	0.4
91.99663	0.3
93.03403	1.8
93.07020	0.3
95.04958	2.2
97.02876	3.7
99.04444	3.4
100.07609	0.3
105.04508	0.4
105.07026	0.4
108.02089	2.1
109.02876	20.0
110.03745	0.4
111.04443	4.1
115.03912	0.4
119.08537	0.3
121.03995	0.4
123.04427	0.3
125.05978	3.0
127.03913	2.8
127.91862	0.3
136.01590	0.6
136.07619	0.4
139.09164	0.3
141.05463	3.1
145.04907	0.3
151.03905	100.0
151.05008	10.5
152.04242	2.2
152.05301	0.4
153.01799	0.3
154.48306	0.2
161.06050	0.3
168.04146	0.7
169.04964	4.7
169.06303	0.5
208.67422	0.3
223.49126	0.3
295.08105	31.7
295.13342	1.1
296.08560	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60820	0.3
51.02363	0.3
53.03944	7.8
55.01863	1.0
55.05497	0.4
57.03419	0.4
62.51875	0.3
65.03932	3.8
67.01862	1.2
67.05506	3.0
67.58149	0.3
69.03427	10.9
70.06582	0.3
70.57350	0.4
71.04996	1.5
77.03923	0.6
79.05448	0.3
80.02634	0.4
81.03413	63.7
81.07043	0.6
82.03755	0.9
83.04932	0.4
83.23874	0.3
85.02904	1.3
91.05476	0.6
93.03396	2.3
93.07054	0.6
95.01330	2.3
95.04971	1.6
97.02889	4.5
99.04446	3.5
100.07606	1.0
103.05405	0.3
105.04505	0.6
105.07022	0.6
107.08600	0.4
108.02081	2.6
109.02875	18.2
109.10080	0.3
111.04439	4.1
117.03388	0.3
119.08610	0.4
121.03960	0.4
121.06474	0.3
123.04445	0.5
124.11234	0.9
125.05962	2.4
127.03898	2.3
131.04947	0.5
133.06500	0.3
133.10126	0.8
135.04427	0.3
135.08044	0.4
136.01602	0.5
137.05984	0.4
141.05481	2.7
149.09549	0.4
151.03902	100.0
151.05000	10.6
152.04260	2.2
152.97398	0.3
157.10085	0.4
159.11649	0.3
161.09569	0.4
163.00308	0.6
163.03894	0.8
168.04156	1.0
169.04950	3.9
175.07513	0.4
181.01347	0.6
189.09044	0.4
190.99777	1.6
203.10667	0.4
209.00818	3.6
209.02849	0.5
221.05853	0.3
224.16391	0.6
249.12924	0.4
295.08139	33.3
295.13431	1.2
295.23807	1.0
296.08389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03942	3.7
55.01875	17.6
57.03439	28.2
59.05001	3.1
61.02931	11.5
65.03951	3.7
67.01873	1.2
67.05493	1.7
68.99799	3.0
69.03428	34.0
71.01369	6.0
71.04990	2.5
73.02916	37.9
79.05492	5.6
81.03420	14.4
85.02907	100.0
87.04476	4.5
91.05492	3.1
92.62321	1.3
95.01356	7.5
95.04964	4.6
97.02896	40.0
99.04446	3.6
103.03948	3.5
104.49169	1.3
106.35733	1.4
107.04988	7.0
109.02892	11.0
115.03935	18.9
118.04148	1.3
119.01302	1.4
121.02870	2.9
123.00824	2.5
123.04413	1.4
127.03915	17.7
130.12836	1.2
131.04965	2.3
133.04976	32.7
135.04468	5.2
137.70139	1.4
145.02983	1.2
145.04961	16.9
147.04422	3.1
151.03926	12.7
163.03905	20.2
163.06071	4.6
169.04965	2.4
177.01811	1.7
181.04906	1.7
190.99794	5.1
191.03404	43.7
191.05156	2.5
209.00827	6.3
209.04552	3.3
229.60258	1.9
241.07106	2.6
242.28838	1.4
285.15051	1.4
295.05902	3.9
295.09439	5.9
296.06833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.1
55.01851	3.5
55.05492	4.7
57.03438	19.1
59.04979	3.8
59.27380	1.4
61.02906	3.7
67.05480	4.7
69.03426	100.0
69.07047	4.3
69.77323	3.4
69.77687	3.5
71.01341	3.8
71.04971	2.5
73.02911	3.5
75.04465	3.7
79.05471	4.6
81.03416	25.0
81.07027	5.9
83.04958	2.9
83.08581	2.5
85.02899	54.4
87.03990	2.3
87.04466	38.1
91.05449	4.4
92.96312	1.7
93.01033	3.5
93.07041	3.6
95.04945	3.4
95.08566	5.2
97.02885	60.1
98.98354	1.5
99.04462	14.2
103.03929	11.3
105.06998	2.4
107.04927	3.4
107.08573	2.2
109.02880	8.6
109.06521	1.8
109.10136	3.3
111.04404	3.1
115.03127	2.6
115.03923	48.1
117.05444	2.4
119.08550	2.7
121.02850	2.4
121.10117	2.0
123.04379	6.2
125.05906	1.9
126.00996	3.4
127.01490	4.5
127.03908	14.0
131.08498	3.2
133.04958	51.5
137.05855	1.7
138.05501	2.3
139.03894	1.9
143.03366	2.0
144.90569	1.7
145.04953	24.7
151.03897	18.7
161.04433	4.0
169.04878	7.0
178.07697	2.2
186.99100	2.5
193.05077	1.9
193.10023	2.5
206.07228	2.8
206.10876	8.1
207.07965	4.5
211.05919	4.6
219.08101	2.3
220.08649	2.0
221.09521	2.4
221.13231	4.2
224.08290	2.3
234.06726	2.5
234.10336	8.0
235.07449	6.1
241.07036	2.3
248.08311	1.7
249.08951	2.6
249.12737	19.7
251.07036	2.5
252.07770	10.6
259.08038	2.8
262.09814	7.4
265.08496	2.8
266.09171	4.4
267.10013	2.4
267.17200	3.5
277.09012	9.2
277.12152	22.3
280.10828	5.5
294.35236	1.5
295.09531	6.8
295.13150	53.6
295.16357	3.1
296.13400	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03935	5.9
55.01863	3.8
55.05509	3.6
57.03436	20.1
59.04993	2.9
59.15167	2.0
59.56578	2.1
61.02913	4.4
67.05480	7.6
69.03427	100.0
69.03808	4.9
69.07061	5.3
70.71235	3.3
71.04987	4.0
72.65045	2.0
73.02892	5.4
79.05480	7.1
81.03413	38.9
81.07043	5.2
83.04967	5.3
84.08151	2.4
85.02899	53.8
87.04465	41.7
88.47485	2.4
91.05465	7.7
93.01028	7.1
93.07027	5.4
95.04980	4.8
95.08606	4.8
97.02894	53.8
99.04456	13.9
103.03924	7.8
103.05450	3.8
105.07043	2.6
107.04930	2.7
107.08572	4.0
109.02866	13.4
109.10157	3.2
111.04402	4.6
114.92701	2.4
115.03929	50.1
117.05532	2.6
119.04974	2.7
119.08567	2.4
119.78644	2.1
121.02878	7.7
121.10130	3.2
123.04414	3.5
127.01624	11.1
127.03922	16.6
131.08469	2.4
133.03954	3.0
133.04964	49.7
133.10114	2.9
137.09579	2.7
141.05452	2.5
145.04951	19.5
149.06004	12.8
151.03905	38.5
151.05022	5.3
161.04471	2.1
169.04985	8.2
177.05443	11.1
192.09338	2.9
206.10956	4.1
207.08057	3.3
220.08937	2.4
222.06781	6.0
235.07603	2.9
239.06973	3.8
249.12752	8.6
251.07149	2.3
252.07840	8.6
259.03937	2.3
262.09882	2.6
267.06549	5.8
267.10123	11.7
277.08810	11.1
277.12247	10.7
278.28571	2.1
295.09592	60.8
295.13248	41.0
296.10068	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01876	16.4
57.03434	27.0
61.02926	12.0
61.30915	2.0
66.31365	2.4
67.05486	4.7
69.03067	2.5
69.03421	38.2
69.81537	1.7
71.01332	4.0
72.05727	1.8
73.02915	37.8
73.77483	1.7
79.05507	2.3
81.03421	15.2
81.07064	6.8
85.02900	100.0
87.04471	5.0
91.03931	2.6
93.07020	1.9
95.08586	4.7
97.02887	40.7
99.04453	4.3
103.03928	5.2
105.07039	2.8
107.08577	2.5
109.02872	9.6
109.10141	2.7
115.03927	20.2
119.08553	2.4
123.11757	1.8
127.01528	2.1
127.03902	20.9
133.04948	31.8
133.19044	1.9
145.04961	17.2
151.03915	12.6
162.12134	1.9
163.03888	4.3
163.06006	2.5
169.04959	2.9
206.10837	2.0
234.10345	2.2
235.07501	2.7
249.12723	2.8
267.17322	2.9
277.12070	3.0
280.10938	2.3
295.08328	4.2
295.09946	2.9
295.13214	11.3
295.16721	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	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.03049	1.1
53.03947	10.0
55.01868	2.5
57.03436	18.7
59.05003	3.9
61.02917	1.8
62.46568	1.1
65.03939	4.2
67.01871	1.1
67.05501	3.9
69.03427	85.5
69.24849	6.1
71.01356	1.7
71.04990	3.0
73.02924	4.6
74.67785	1.3
75.04490	1.5
77.03926	1.8
77.57642	1.3
79.05479	1.5
81.03416	77.7
83.04984	1.8
85.02904	46.2
87.03966	2.4
87.04468	31.0
93.03411	2.5
95.01326	1.9
95.04967	4.6
97.02889	50.4
99.04455	13.5
100.07623	1.4
103.03945	6.2
108.02089	2.5
109.02879	26.0
111.04436	3.9
115.03929	38.9
123.04442	3.3
123.20116	1.3
125.05975	2.8
127.03893	11.6
131.04889	2.2
133.04962	34.1
137.05946	1.2
139.03915	2.2
141.05482	2.3
145.04970	15.2
151.03911	100.0
151.05014	10.2
152.04257	2.9
161.04390	1.6
163.00204	2.1
169.04919	9.3
190.99777	2.6
199.06081	1.3
209.00798	5.4
223.06111	1.6
229.07076	2.7
241.07178	2.2
259.08142	2.2
277.09207	4.4
295.08145	41.7
295.23615	1.3
296.08728	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	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
53.23970	0.1
55.01859	0.1
55.02995	0.1
55.05490	0.2
57.03431	0.1
57.04566	1.1
58.06596	0.1
58.51397	0.1
63.01294	0.1
65.03934	0.2
67.02979	0.1
67.05500	0.6
69.03429	0.8
69.04551	0.1
69.63233	0.3
70.06586	0.3
71.04992	0.2
72.04516	0.1
72.08153	0.1
79.05492	0.3
80.80923	0.1
81.03418	3.0
81.07059	0.2
82.04093	0.1
83.04965	0.1
84.08132	0.2
85.02892	0.2
87.04453	0.1
91.05492	0.2
93.03342	0.2
93.07081	0.1
93.08665	0.1
94.04052	3.1
95.01332	0.1
95.04973	0.4
96.05624	0.6
97.02891	0.4
99.04441	0.2
99.09116	0.1
100.07615	1.4
101.07962	0.1
103.05449	0.1
105.07025	0.1
106.04036	0.2
107.04947	0.2
107.08589	0.2
108.02107	0.1
108.04377	0.2
109.02889	0.9
109.03968	0.1
109.05122	0.2
109.10184	0.2
110.09676	0.1
111.04445	0.2
112.05078	0.4
112.11227	0.2
119.03531	0.2
120.08094	0.2
121.05102	0.2
121.10108	0.2
123.06675	2.3
124.07580	0.1
124.11240	1.0
125.05968	0.1
125.09647	0.3
125.11567	0.3
127.03920	0.2
131.04910	0.3
133.05061	0.7
135.05417	0.4
136.11200	0.2
141.05458	0.1
148.06180	0.3
149.09677	0.1
150.07748	100.0
151.03908	4.6
151.05026	0.5
151.06233	0.2
151.08188	1.3
152.10704	0.4
155.11807	0.2
157.10164	0.1
169.04948	0.2
169.13335	0.1
171.14925	0.4
176.05707	0.1
178.12331	0.1
178.15921	0.7
179.16241	0.3
190.81168	0.1
196.16980	0.3
206.15466	0.3
209.00883	0.3
223.18068	0.1
224.16457	1.0
252.07579	0.1
259.09467	0.1
276.24271	0.1
294.25409	0.4
295.08112	1.7
295.11508	2.3
295.16354	0.1
295.23618	1.8
296.08804	0.2
296.23883	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	295.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
56.29059	3.3
57.03429	6.7
58.75373	3.3
67.05485	3.9
69.03432	23.5
69.74409	13.3
73.02910	9.1
76.56328	3.2
76.73051	3.4
80.03341	4.7
81.02959	7.5
81.03416	100.0
81.07030	3.1
85.02908	15.8
87.04462	4.1
91.05476	15.4
93.07042	6.2
95.04942	5.2
97.02891	57.8
99.04456	6.5
101.34464	3.9
103.03955	6.8
103.05461	8.2
105.07013	10.0
109.02878	14.8
109.06464	4.8
111.04436	5.3
115.05467	11.4
117.07021	11.3
119.04912	11.8
119.08555	4.1
121.06499	11.9
126.05490	4.1
127.03923	7.0
128.06213	16.9
129.06976	24.0
131.04941	18.3
131.08490	5.3
133.06496	10.7
135.07985	5.0
137.05963	24.7
141.06993	12.8
141.85527	3.9
143.04898	5.1
143.08545	12.1
145.06465	19.8
147.04396	10.9
149.05980	5.6
151.03926	62.9
151.05032	9.0
151.07562	71.8
152.06287	4.5
153.07010	6.6
157.06529	16.0
157.10019	4.4
158.07147	4.3
160.05254	11.7
161.05992	15.4
163.00293	4.3
163.07545	23.8
165.06985	3.9
165.09119	10.7
169.06494	13.6
171.08054	13.6
173.05994	7.6
174.06819	18.2
175.07564	15.4
177.05473	12.9
177.09088	8.8
179.07010	32.8
181.06508	14.4
181.08636	8.7
185.06030	6.2
187.07536	13.5
188.08101	5.5
189.09064	33.2
190.06213	9.4
190.99742	5.2
191.07059	6.6
193.08546	8.9
195.02873	6.8
196.17050	5.2
197.05995	13.7
199.07556	10.5
201.09010	5.5
203.06989	18.5
203.10591	8.3
205.08553	24.2
208.07280	5.2
209.00732	6.6
213.09102	11.6
217.08629	12.8
221.08084	12.5
224.16399	5.0
227.06946	16.9
229.08481	8.0
231.06613	4.8
231.10071	17.8
233.08029	5.0
241.08673	5.1
244.04222	3.8
244.07289	6.3
247.09657	5.9
259.09720	33.9
269.43436	3.3
277.10638	17.1
295.05484	7.0
295.08176	20.1
295.11795	37.8
295.23590	7.9
316.28094	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	295.1175
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
53.03938	8.8
56.29059	3.3
57.03429	6.7
58.75373	3.3
67.05485	3.9
69.03432	23.5
69.74409	13.3
73.02910	9.1
76.56328	3.2
76.73051	3.4
80.03341	4.7
81.02959	7.5
81.03416	100.0
81.07030	3.1
85.02908	15.8
87.04462	4.1
91.05476	15.4
93.07042	6.2
95.04942	5.2
97.02891	57.8
99.04456	6.5
101.34464	3.9
103.03955	6.8
103.05461	8.2
105.07013	10.0
109.02878	14.8
109.06464	4.8
111.04436	5.3
115.05467	11.4
117.07021	11.3
119.04912	11.8
119.08555	4.1
121.06499	11.9
126.05490	4.1
127.03923	7.0
128.06213	16.9
129.06976	24.0
131.04941	18.3
131.08490	5.3
133.06496	10.7
135.07985	5.0
137.05963	24.7
141.06993	12.8
141.85527	3.9
143.04898	5.1
143.08545	12.1
145.06465	19.8
147.04396	10.9
149.05980	5.6
151.03926	62.9
151.05032	9.0
151.07562	71.8
152.06287	4.5
153.07010	6.6
157.06529	16.0
157.10019	4.4
158.07147	4.3
160.05254	11.7
161.05992	15.4
163.00293	4.3
163.07545	23.8
165.06985	3.9
165.09119	10.7
169.06494	13.6
171.08054	13.6
173.05994	7.6
174.06819	18.2
175.07564	15.4
177.05473	12.9
177.09088	8.8
179.07010	32.8
181.06508	14.4
181.08636	8.7
185.06030	6.2
187.07536	13.5
188.08101	5.5
189.09064	33.2
190.06213	9.4
190.99742	5.2
191.07059	6.6
193.08546	8.9
195.02873	6.8
196.17050	5.2
197.05995	13.7
199.07556	10.5
201.09010	5.5
203.06989	18.5
203.10591	8.3
205.08553	24.2
208.07280	5.2
209.00732	6.6
213.09102	11.6
217.08629	12.8
221.08084	12.5
224.16399	5.0
227.06946	16.9
229.08481	8.0
231.06613	4.8
231.10071	17.8
233.08029	5.0
241.08673	5.1
244.04222	3.8
244.07289	6.3
247.09657	5.9
259.09720	33.9
269.43436	3.3
277.10638	17.1
295.05484	7.0
295.08176	20.1
295.11795	37.8
295.23590	7.9
316.28094	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	295.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45430	1.8
56.05029	6.5
66.66096	2.0
69.03414	2.6
69.07059	3.1
76.99011	1.9
81.03421	16.8
84.04023	3.3
84.04504	59.7
84.08146	5.2
85.02906	2.2
86.09702	36.0
92.44522	1.8
96.78217	2.0
98.97546	2.8
102.05544	6.5
103.05499	3.5
109.02846	5.5
111.77460	1.8
120.08103	100.0
121.04047	1.9
127.06034	2.1
136.07567	4.1
148.03972	3.0
151.03917	23.2
151.05023	3.8
164.76387	2.0
166.08630	48.8
182.08078	4.2
186.09117	6.3
210.89943	2.3
228.90952	4.2
230.32632	1.8
231.11266	35.0
232.87346	1.9
235.07414	2.6
240.52437	1.8
246.91899	2.3
249.12802	5.8
252.07739	2.6
262.09836	3.4
270.92188	2.7
277.11880	32.4
288.92990	5.8
295.08145	8.2
295.13412	19.8
297.59360	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1287
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
51.35277	1.1
53.11747	1.1
56.05022	5.0
58.81393	1.0
69.03425	1.3
69.07077	1.3
70.36473	2.4
81.03408	3.4
81.07009	1.6
84.04500	57.0
84.08130	3.1
85.02898	4.1
86.09701	14.6
91.05473	1.8
95.08644	1.1
97.02885	1.2
98.97570	1.8
102.05513	6.8
103.05466	1.9
107.04947	1.5
109.02898	1.4
120.08097	100.0
121.02831	1.5
121.08450	1.7
130.05029	1.9
130.06541	2.1
131.04932	2.1
136.07509	2.7
148.03963	6.2
151.03911	7.2
165.05450	1.5
166.08624	44.9
186.09181	4.7
206.41541	1.3
207.07935	1.6
228.91159	1.2
231.11258	31.9
235.07607	1.2
249.12811	3.6
259.10895	2.6
262.10025	2.2
270.91992	2.2
277.11877	25.2
278.12244	1.7
288.92911	2.1
295.13306	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	295.133
Annotation	12-Demethylmultiorthoquinone
Peak:m/z	Relative Intensity
53.00284	0.6
55.05483	0.4
57.07063	0.4
66.65363	0.3
67.05482	0.6
68.99776	1.0
69.07060	0.5
70.54739	0.3
70.55447	0.7
73.51591	0.3
79.05484	0.6
80.88387	0.3
81.07041	0.6
87.02315	0.3
93.07044	0.3
95.01326	5.9
95.08602	0.4
100.96252	0.3
103.96268	0.4
105.07040	0.3
107.08569	0.4
112.77168	0.3
113.50768	0.4
117.06926	0.4
119.01333	0.5
135.00731	1.1
141.07010	0.4
163.00240	1.1
163.03874	0.6
165.06892	0.5
167.08534	0.4
169.10097	0.8
178.07722	2.3
179.08549	3.5
181.01302	1.5
181.06482	0.4
181.10023	0.5
183.08051	1.0
189.06857	0.8
190.99771	2.6
191.03421	1.4
191.08551	4.2
192.09334	2.3
193.10059	1.9
195.08020	1.1
196.08794	1.1
202.07773	0.5
203.08630	0.5
205.06444	0.6
205.10097	1.6
206.07327	3.5
206.10905	12.6
207.08035	7.2
207.11472	0.9
207.33444	0.3
209.00813	5.2
209.09546	0.7
215.08522	0.4
216.09300	2.1
219.05992	0.6
219.08002	4.2
219.11555	0.4
220.08842	4.5
221.05836	0.4
221.09575	1.2
221.13217	6.7
223.07494	1.4
224.08199	1.0
225.08969	0.5
225.12773	1.6
230.41577	0.4
231.11742	2.1
233.09557	1.9
234.06812	2.6
234.10353	12.2
235.07521	9.6
235.11064	0.8
237.09064	0.5
238.06194	0.4
238.09863	0.8
247.07532	1.7
248.08328	4.2
249.09113	1.6
249.12727	32.4
250.13092	1.2
251.07022	3.2
252.07809	16.5
253.08537	3.3
259.11285	1.8
261.09134	0.8
262.09875	15.0
263.10275	0.8
265.08618	4.3
266.09351	10.0
267.09839	0.5
267.13770	0.9
277.12216	42.3
278.12582	2.6
280.10934	8.7
281.11319	0.5
295.13266	100.0
296.13608	4.6
308.05145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01865	1.6
55.05503	1.7
57.03426	3.0
61.02923	4.9
63.98583	0.6
65.03925	1.4
67.05495	1.7
69.03423	13.8
69.07065	10.0
70.06597	3.8
71.04981	0.9
71.42188	0.6
72.08152	9.8
73.02899	2.5
73.06515	0.7
80.05019	0.6
80.26508	0.6
81.02957	1.3
81.03413	18.1
84.08134	2.4
85.02900	56.5
86.09706	5.1
87.04454	1.7
87.08075	3.1
91.03936	2.1
91.05474	27.3
95.04904	0.8
96.04461	0.8
97.02888	12.3
97.07643	2.5
99.04432	3.4
106.02918	1.1
107.04935	1.0
108.02079	1.1
109.02875	7.8
109.06531	1.1
110.06017	4.7
111.04427	2.9
114.10278	2.8
115.03911	1.5
118.06534	1.2
119.04931	18.9
120.08129	1.5
121.06480	3.2
121.08577	0.7
126.05508	5.6
127.03908	12.5
128.52856	0.6
132.10168	2.1
133.04909	0.9
136.07567	100.0
137.02295	3.5
137.07913	2.4
138.05461	4.5
141.05501	0.9
141.88824	0.6
145.04959	11.5
148.03928	1.8
150.07750	2.2
151.03906	28.5
151.05017	2.6
152.04265	0.8
154.04987	5.6
155.03436	0.6
166.05002	1.4
169.04935	1.0
169.06674	0.6
176.20854	0.7
177.05493	0.9
180.10233	3.8
196.13191	1.0
206.10899	1.0
207.11313	1.7
208.09680	7.9
218.06143	0.7
222.12389	7.6
236.09032	1.0
249.12659	1.0
249.15956	1.4
250.11882	1.0
252.07861	0.9
252.14011	1.2
262.09937	0.8
267.14505	15.5
277.12079	2.3
278.11044	0.7
282.97675	0.7
295.08344	7.4
295.13797	15.9
295.16696	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
50.01607	0.4
51.02384	0.5
52.17047	0.3
53.03934	0.9
55.01848	0.8
55.02983	0.4
55.05508	0.5
57.03431	0.9
61.02909	1.2
62.78247	0.3
65.03922	0.7
66.96003	0.3
67.05512	0.4
69.03433	4.0
69.07062	3.0
69.99364	0.6
69.99728	0.7
70.06593	2.1
71.04987	0.6
72.08157	4.4
73.02910	0.8
74.02440	0.4
78.33940	0.3
81.03416	7.1
83.04955	0.6
84.08134	1.0
84.25521	0.3
85.02899	13.5
86.07212	0.4
86.09705	5.2
87.04466	0.5
87.08086	0.6
91.03959	0.8
91.05477	23.9
92.05804	0.4
93.07056	0.4
95.04923	0.5
97.02901	4.1
97.07645	1.4
99.04465	0.8
107.04970	0.8
109.02863	3.5
109.06500	0.7
110.06030	2.5
111.04445	1.1
114.10279	1.8
117.09130	0.8
118.06540	0.9
119.04939	15.8
120.08094	0.6
121.06469	2.2
122.02464	0.4
125.05978	0.4
126.05505	2.1
127.03899	3.5
129.10231	0.4
130.08641	0.8
132.10217	1.9
136.07570	100.0
137.02362	1.6
137.07930	2.1
138.05473	1.9
139.03902	0.4
145.04967	3.4
147.04387	0.6
150.54037	0.3
151.03908	10.4
151.05009	1.1
151.07509	0.4
154.04990	1.4
163.06099	0.5
166.04961	1.0
169.04848	0.4
180.10202	1.5
196.07033	0.4
196.13245	0.4
207.11342	0.9
208.09682	3.4
222.12337	3.6
236.09027	0.6
249.12665	0.8
249.15775	0.6
250.11832	0.9
250.14346	0.6
252.07829	0.5
252.14122	0.5
262.10046	0.4
267.14502	7.6
268.14694	0.4
277.12201	1.0
278.11234	0.7
278.13864	0.9
295.08380	3.7
295.13824	9.4
295.16724	2.3
296.08514	0.3
296.14081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1692
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
53.03970	0.4
55.05500	2.3
65.03933	0.6
67.05500	2.7
69.03416	0.6
69.07055	2.8
69.66011	0.9
69.66402	1.2
72.37299	0.4
74.64106	0.4
79.05479	3.2
81.07040	2.8
83.04958	0.6
83.08624	0.6
89.96651	0.4
91.05464	7.6
93.07036	6.4
95.04987	2.3
95.08593	3.0
97.06552	0.5
105.04480	0.6
105.07018	7.1
107.04930	0.8
107.08579	3.8
109.06496	0.5
111.04485	0.5
115.05413	2.0
117.07021	2.8
119.04945	1.1
119.08569	9.3
121.06499	1.7
121.10117	0.9
123.08043	0.6
128.06190	3.0
129.07019	3.8
130.07770	0.9
131.08556	3.7
133.06487	2.1
133.10109	3.9
135.08002	0.5
137.05960	3.0
138.06305	1.9
141.06967	3.9
142.07747	5.1
143.08545	8.2
144.09302	0.6
145.06429	1.0
145.10127	4.8
147.08040	1.2
147.11687	0.9
149.05952	0.9
151.07539	0.8
153.06979	2.2
154.07739	1.4
155.08545	6.9
156.09352	5.5
157.10117	11.7
158.10757	0.7
158.71564	0.4
159.08002	0.7
159.11658	2.4
161.05994	0.9
161.09627	0.8
163.32846	0.4
165.06969	6.6
166.07753	3.2
167.08551	5.5
168.09323	4.1
169.10103	9.0
170.10895	2.7
171.07957	1.0
171.11685	6.8
172.12369	1.2
173.09601	1.3
173.13220	0.7
175.07526	1.6
178.07735	3.6
179.06978	1.0
179.08527	11.8
180.09319	4.9
181.10088	9.8
182.10898	3.7
183.08089	1.3
183.11676	17.6
184.12323	1.4
185.09612	1.3
185.13243	2.1
187.07533	0.7
187.11238	0.4
189.09071	0.8
190.07672	0.4
191.08527	2.3
192.09323	9.0
193.10101	20.1
194.10861	6.0
195.07979	0.7
195.11667	13.3
196.08827	0.9
196.12384	2.7
197.09540	2.8
197.13246	11.4
197.15063	0.6
198.14012	11.1
199.07596	0.6
199.10980	0.6
199.14734	1.9
201.09065	1.9
203.10677	0.6
204.09196	1.0
205.10086	7.2
206.10889	8.3
207.11662	26.2
208.12375	4.8
209.09634	1.4
209.13199	9.7
210.10435	0.6
210.13864	1.2
211.07683	0.7
211.11150	1.8
211.14761	4.4
213.09103	1.6
215.10704	1.1
217.10175	0.6
218.10800	0.5
219.11671	11.6
220.08980	0.6
220.12431	11.7
221.09593	1.8
221.13216	13.2
222.10315	0.8
222.13869	2.5
223.11180	2.5
223.14792	6.1
224.12006	0.6
224.15413	0.9
225.09285	2.2
225.12746	4.9
225.16270	1.2
227.10640	1.1
229.10217	0.6
233.09668	0.9
233.13240	1.2
234.10446	0.8
234.14005	11.1
235.11212	3.8
235.14767	14.0
236.11867	0.6
236.15567	2.7
237.09067	0.8
237.12642	2.0
237.16342	0.9
238.13530	0.6
239.10622	6.4
239.14258	1.4
239.17912	2.0
244.12407	1.0
247.11195	1.9
248.12041	0.6
249.12674	1.6
249.16357	22.8
250.16716	1.5
251.10646	2.1
251.14227	0.5
251.17940	3.2
252.11386	0.7
252.15042	1.2
253.12207	7.7
253.15817	2.2
254.12836	1.0
259.14825	1.0
261.12814	0.5
262.13525	3.3
265.12195	3.3
266.13004	1.6
267.13782	3.2
267.17410	5.9
268.17630	0.4
276.40274	0.4
277.15863	11.9
278.16278	1.1
280.14536	4.1
290.60083	0.4
295.16891	100.0
296.17230	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	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03950	7.9
55.01873	47.2
55.05510	47.5
57.07070	17.0
65.03955	5.8
67.05502	70.4
69.03455	4.4
69.07061	33.4
71.04991	6.6
71.08630	29.2
71.43284	4.5
79.05504	35.4
81.03413	20.5
81.07054	71.1
83.04978	18.6
83.08619	39.0
85.06566	5.4
85.10182	14.4
91.05471	33.8
93.07044	54.2
93.23055	3.5
95.04957	22.1
95.08619	44.8
97.06520	25.1
97.10188	8.5
99.08081	23.1
105.07018	39.7
105.60167	3.7
107.04967	10.6
107.08601	34.0
109.06551	5.0
109.10153	15.8
111.08073	56.4
113.09639	20.6
117.07021	9.3
119.08598	24.8
121.10169	22.8
123.08070	6.3
123.11710	7.9
125.09632	6.9
126.47675	3.8
131.08627	9.4
133.10149	27.6
135.07942	3.9
135.11703	19.2
137.09715	6.8
139.11206	7.3
143.08598	6.8
145.10091	6.9
147.11699	30.3
149.09636	12.7
149.13231	19.4
151.11208	29.4
157.10144	8.2
159.11617	5.9
161.13248	19.6
163.11189	10.4
163.14793	5.1
165.12729	27.1
169.10222	4.4
171.11761	6.7
173.13246	5.8
175.14828	5.6
179.14334	12.4
185.13274	7.0
192.09331	7.0
193.10124	9.0
193.12126	5.5
195.11679	7.1
199.14845	4.4
206.10817	5.2
207.11652	12.0
211.14847	11.1
220.12425	10.9
221.13315	7.0
235.14728	19.6
241.19566	7.1
249.12758	7.6
249.16458	7.8
253.12390	5.4
255.38858	4.1
259.20593	13.8
276.53009	3.9
277.12195	7.0
277.21646	100.0
277.24554	8.3
278.21982	7.4
295.13327	21.8
295.16937	42.7
295.22641	54.8
296.29407	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	295.2268
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03936	3.8
55.01873	10.5
55.05510	59.5
55.18255	1.8
57.03435	14.6
57.07074	17.5
65.03938	3.6
67.05501	96.0
69.03417	8.2
69.07063	54.9
69.15318	3.9
69.15732	11.0
70.07351	1.9
71.04986	7.9
71.08618	7.5
73.98383	1.8
79.05493	59.3
81.03412	8.7
81.07053	100.0
83.04979	34.1
83.08615	25.7
85.06546	6.5
85.10178	3.9
91.05475	35.1
93.07040	75.6
94.07381	2.2
95.04956	28.4
95.08600	59.4
97.06535	16.1
97.10160	16.2
99.08087	5.3
105.04450	2.5
105.07021	32.0
107.08595	31.6
109.06483	10.2
109.10151	23.8
111.08067	7.7
113.09629	2.5
117.07027	5.4
117.89705	2.0
119.08575	22.4
121.10130	24.8
123.08060	5.4
123.11699	13.5
125.09604	10.8
129.07027	4.3
131.08565	8.8
133.10112	16.0
135.08081	3.3
135.11671	12.0
137.09651	10.2
138.86345	2.0
139.11174	27.3
143.08534	2.4
145.10048	3.6
147.11678	16.3
149.09587	2.3
149.13268	12.3
151.11230	5.0
153.09085	2.4
153.12749	8.4
155.10666	5.6
157.10107	5.9
159.11693	2.4
161.09610	2.8
161.13248	13.5
163.11172	3.2
163.14803	3.2
165.12720	9.5
171.11668	3.1
175.11194	5.1
175.14815	5.6
179.14261	4.5
181.12288	2.8
185.13245	2.7
193.12167	4.2
198.07622	2.4
207.13753	4.0
221.15373	5.0
231.20944	2.6
235.17032	2.8
241.19556	3.8
242.74013	2.6
249.12779	2.5
249.22098	4.5
259.20569	5.8
277.21637	72.3
295.13211	8.5
295.17014	5.3
295.22626	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	3.6
55.01857	10.8
55.05508	43.1
57.07076	20.9
65.03924	3.9
67.05501	71.8
69.03410	3.0
69.07064	35.5
71.04984	5.1
71.08624	47.5
79.05486	62.9
80.59850	2.7
81.03415	13.2
81.07053	81.2
83.04969	14.4
83.08624	30.3
85.06512	5.2
87.63834	2.6
91.05473	40.2
92.80360	2.5
93.07036	89.6
95.04430	2.6
95.04945	13.6
95.08601	56.0
97.06538	13.5
97.10155	11.3
99.08076	34.9
105.07021	21.0
107.04946	8.6
107.08589	52.9
109.06535	8.6
109.10153	25.2
111.08048	4.6
113.09643	3.9
117.07009	5.5
119.08576	20.5
121.06519	6.0
121.10135	52.2
123.08033	4.8
123.11710	5.3
127.11198	4.8
129.06970	3.7
131.08592	7.2
133.10121	15.1
135.08009	4.0
135.11678	50.7
137.09612	7.9
137.13245	4.1
137.80853	2.6
139.07578	4.2
143.08568	5.9
145.10138	9.3
147.11647	5.3
149.13240	20.2
151.11171	20.3
153.12694	3.5
155.08403	2.5
157.10173	7.0
159.11671	7.8
161.13275	9.2
163.11174	6.8
163.14842	5.3
165.12808	2.9
167.10620	5.4
167.14293	3.7
169.10098	3.5
171.11649	4.6
172.17993	2.6
175.14803	3.9
176.08171	2.9
177.12704	8.7
179.08513	2.9
179.14297	100.0
181.10255	4.1
181.12076	4.0
183.11632	3.6
185.13260	3.4
193.10065	3.1
195.11693	3.3
195.13821	3.1
197.13167	3.3
199.14984	2.7
206.10887	4.6
207.11737	6.0
209.13266	3.5
219.11719	4.3
220.12491	9.2
221.13225	6.5
221.15337	4.5
233.22629	15.0
234.14175	4.5
235.14804	17.6
235.16872	4.9
241.19409	3.3
243.21143	6.8
249.12648	6.0
249.16399	3.7
261.22058	11.0
277.12143	6.3
277.21603	45.3
279.23172	11.9
280.10870	4.4
295.13211	13.4
295.16931	27.0
295.22888	5.8
296.25836	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01852	6.4
55.05511	47.0
57.07067	7.6
65.03947	6.9
67.05499	76.3
69.03434	5.7
69.07054	27.9
70.04074	8.5
71.04979	9.3
71.08625	95.0
71.42200	5.2
72.35069	4.9
72.56177	5.7
75.04467	44.1
79.05491	64.6
81.03406	22.9
81.07047	86.7
82.23705	5.4
83.04978	19.0
83.08634	29.1
84.19675	5.7
85.02885	6.2
85.06548	11.7
91.05472	54.6
93.07038	67.5
95.04962	26.7
95.08595	48.5
97.06517	11.9
97.10157	14.2
99.08096	100.0
101.15911	5.6
105.07033	49.0
107.04927	8.6
107.08587	40.8
109.06526	9.1
109.10139	25.3
111.08093	10.6
117.07021	8.9
119.08591	31.5
121.10152	20.9
123.08068	11.7
125.09633	8.2
129.06978	10.7
131.08554	10.5
133.10146	21.9
135.11705	32.0
137.05951	8.5
137.09503	9.8
137.13240	7.5
143.08533	11.2
145.10132	18.1
147.11694	20.0
149.13205	14.8
151.03925	11.8
151.11168	55.6
153.12593	6.6
156.09259	6.5
157.10168	7.6
159.11627	5.8
161.13217	32.3
163.11195	34.0
171.11630	10.7
173.13226	11.5
175.11180	5.6
175.14749	8.1
179.14230	29.4
183.11781	5.7
185.13228	10.0
196.08986	5.4
197.13290	7.1
198.66397	5.5
204.53534	5.1
231.11038	5.3
241.19432	16.3
249.12685	22.2
252.07759	7.2
259.20380	9.6
262.09866	9.1
277.12082	30.5
277.21603	76.8
295.08020	10.3
295.13214	51.6
295.16122	8.1
295.22794	19.5
302.24258	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.60494	1.9
53.03934	4.9
55.01865	3.1
55.05510	24.0
57.03445	3.0
57.07064	6.6
65.03909	2.4
67.05156	3.7
67.05499	52.2
69.03426	2.5
69.07067	21.4
69.89243	4.4
69.89636	3.5
71.04985	5.6
71.08626	100.0
79.05488	44.4
81.03415	9.8
81.07050	51.4
82.07410	2.4
83.04977	11.1
83.08610	14.6
85.06541	3.9
91.05470	31.0
93.07039	47.9
95.04953	12.9
95.08601	38.3
96.97339	1.8
97.06526	12.9
97.10162	8.1
99.08089	85.2
105.04580	2.6
105.07017	27.7
107.04950	6.1
107.08586	21.5
109.06524	4.7
109.10165	10.6
111.08088	6.0
111.11765	2.5
112.18937	1.8
113.09636	2.8
117.07005	9.9
119.08557	15.6
121.10146	21.5
123.08082	3.9
123.11712	2.7
125.09636	3.4
127.11199	2.2
129.06989	6.0
131.08557	4.7
133.10136	14.3
135.08006	2.0
135.11685	17.7
137.09619	5.0
137.13252	2.1
139.07579	2.6
141.12738	2.6
143.08575	5.6
145.10107	11.5
147.11717	10.3
149.13216	9.7
151.11154	60.1
153.12654	4.4
157.10098	3.8
159.11697	5.7
161.13237	29.0
163.11140	26.8
163.14783	3.0
165.12708	3.6
169.12254	2.7
171.11678	8.8
173.13301	4.6
175.14774	3.0
177.12717	3.4
179.14299	28.1
181.10083	2.5
185.13252	4.3
193.15962	2.0
206.10826	2.0
207.11728	3.8
220.12457	5.1
221.13298	4.4
221.15355	3.7
235.14833	12.1
235.16798	1.9
241.19450	9.5
247.68884	2.0
249.16345	4.6
259.20560	11.3
277.21591	43.9
278.21851	2.7
295.13269	5.6
295.16922	12.9
295.22604	4.1
304.57690	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	295.2269
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03954	4.7
55.01872	17.2
55.05510	71.1
57.03438	17.7
57.07071	15.4
59.04998	2.7
59.95080	2.2
60.14927	2.3
65.03944	4.4
67.05502	90.5
69.03431	14.0
69.07067	65.1
70.67598	4.4
71.04989	12.2
71.08628	17.8
73.06581	3.4
76.33632	2.3
77.68339	2.1
79.05490	66.2
81.03430	8.2
81.07055	100.0
83.04979	27.3
83.08623	26.6
85.06541	12.4
85.10184	3.6
91.05476	54.3
93.07043	85.1
95.04962	33.0
95.08603	67.9
96.47949	2.6
97.02903	3.5
97.06533	27.2
97.10192	10.7
99.08084	10.8
105.07025	38.3
107.04932	2.9
107.08587	42.4
109.06541	9.8
109.10142	23.0
111.08075	8.6
113.05966	2.8
117.07005	9.6
119.08576	22.9
121.06512	4.0
121.10141	20.7
123.08056	8.0
123.11715	9.6
125.09622	4.4
129.07021	6.6
131.08546	14.7
133.06509	29.2
133.07538	3.6
133.10118	30.8
135.11693	24.9
137.09621	6.8
139.11162	21.8
143.08598	3.9
145.10139	6.1
147.11676	18.2
149.09697	2.8
149.13239	16.4
151.11203	9.7
153.12733	7.4
157.10144	9.8
159.11719	7.7
161.13277	9.3
163.14796	3.5
165.12746	8.6
171.11699	5.8
173.13341	3.4
175.11165	7.1
175.14795	5.3
177.12793	3.5
179.14304	5.3
182.32506	2.4
185.13313	4.3
189.12877	2.8
193.12233	3.4
207.13744	4.7
209.15500	2.3
221.15329	5.1
241.19507	2.5
249.12561	3.6
249.22147	4.4
259.20645	4.4
268.07129	2.8
277.12271	6.9
277.21600	66.0
278.21896	5.4
295.13358	8.3
295.17166	5.1
295.22635	68.4
296.06717	3.1
296.23135	2.6
314.54431	2.3
316.78040	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.85361	3.7
53.00295	6.8
53.03942	24.5
55.01859	11.9
55.05299	3.6
55.05511	41.2
57.07072	21.2
58.17542	3.5
64.18733	3.8
64.29191	3.5
67.05157	7.1
67.05500	93.4
68.99775	8.4
69.03425	6.2
69.07066	64.2
70.03570	11.9
71.04981	7.9
71.08624	14.7
79.05489	61.6
81.03413	96.8
81.07052	80.8
83.04992	20.3
83.08621	15.4
83.41241	3.7
91.05472	35.4
93.07038	66.7
95.01323	58.7
95.04960	64.4
95.08596	35.5
95.93806	3.9
97.06533	10.5
97.10149	9.9
98.23392	4.7
99.08075	6.9
101.47358	3.5
105.07024	28.8
107.05011	4.2
107.08585	39.7
109.06506	12.1
109.10147	35.6
111.08071	6.3
113.09637	3.9
113.57126	3.7
117.07001	6.4
119.08554	19.7
121.10153	17.5
123.08064	5.9
123.11702	8.2
124.84282	3.5
125.09631	11.6
127.11178	3.6
133.10138	19.6
135.00774	11.3
135.08040	6.5
135.11681	10.1
137.09601	10.8
138.50427	3.5
139.11127	4.9
141.12727	5.2
142.39359	3.9
145.10089	4.5
147.11682	15.5
149.13286	5.7
151.11186	68.9
153.09012	4.0
155.99445	4.3
161.13258	14.0
163.00264	10.0
163.03877	7.8
163.14807	6.3
165.12730	19.5
171.11562	3.6
175.14839	8.0
179.14310	8.7
181.01303	15.9
188.97305	3.9
190.99727	31.8
191.01321	4.2
191.03325	24.7
195.15504	4.6
207.13812	6.2
209.00810	63.3
225.00534	3.7
231.21147	11.9
241.19530	8.6
259.20569	8.9
277.12070	6.5
277.18604	5.9
277.21613	100.0
278.21906	4.2
292.99164	5.3
295.13293	17.6
295.22766	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.00853	2.3
53.03938	21.9
55.01863	12.0
55.05504	28.8
57.07061	6.7
67.05159	4.3
67.05497	63.8
69.03405	3.8
69.07059	57.6
69.50599	2.1
71.04970	4.1
71.08614	7.2
74.12881	2.2
79.05486	54.7
81.03408	72.3
81.06566	3.3
81.07050	62.4
83.04976	22.0
83.08620	17.4
84.73315	2.1
85.06532	3.4
86.23890	2.3
91.05468	27.1
93.07034	56.9
94.74796	2.4
95.04954	54.1
95.08604	30.6
97.06528	4.5
97.10149	8.6
99.08088	2.6
100.01529	2.2
105.07008	33.0
107.08585	37.1
109.06484	13.4
109.10135	20.5
111.08071	5.3
117.06992	7.9
119.08571	24.0
121.10106	22.1
123.08051	5.9
123.11684	8.3
125.09647	11.3
129.06990	8.7
131.08546	9.0
133.06512	3.9
133.10103	25.7
135.08014	4.2
135.11646	16.1
137.05945	3.8
137.09604	4.4
137.13228	5.3
143.08543	9.3
145.10106	9.9
147.11676	17.5
149.13208	15.7
151.11160	47.8
155.08430	2.6
157.10104	9.2
159.11679	6.6
161.09563	3.0
161.13231	24.0
162.13692	2.4
163.14812	10.1
165.12704	7.4
169.10126	3.0
171.10292	2.7
171.11584	12.2
172.58405	2.4
173.13239	6.2
175.11223	3.9
175.14735	6.2
177.12717	4.3
179.14253	3.6
183.11656	3.1
185.13243	10.0
189.09160	2.9
189.12834	2.4
193.12209	4.5
197.13182	3.0
199.14816	5.2
206.10909	4.9
207.08026	2.8
207.13741	5.5
220.12352	2.8
221.13283	4.9
221.15335	4.4
231.21060	7.8
234.10304	3.3
235.07553	5.4
239.17995	6.2
241.19443	9.0
249.12761	10.2
249.22061	6.6
252.07800	8.3
253.19464	2.6
259.20496	7.6
262.09909	6.9
265.08533	2.7
266.09375	4.0
277.12253	13.3
277.21594	100.0
278.21896	2.9
280.11008	5.6
295.13245	33.5
295.16769	10.3
295.20398	5.0
295.24481	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	8.6
55.01868	51.5
55.05507	66.0
56.05833	1.7
57.03430	5.1
57.07072	10.6
65.03930	3.7
67.05499	94.4
69.03423	5.7
69.06703	3.0
69.07059	39.8
70.02747	4.7
71.04986	5.5
71.08625	43.3
77.03919	2.2
79.05041	3.1
79.05486	58.8
81.03415	19.0
81.07052	85.1
83.04979	25.7
83.08615	32.5
85.06533	7.5
85.10175	10.8
86.15688	1.6
89.00607	3.1
91.00169	2.1
91.05473	45.4
93.07038	66.7
93.12224	1.4
95.04957	28.0
95.08597	53.1
97.06515	25.0
97.10164	20.0
98.22791	2.2
99.08084	30.2
102.63975	1.7
105.04522	2.0
105.07016	35.4
107.04939	4.0
107.07927	2.8
107.08592	37.9
109.06526	12.1
109.10149	30.2
111.08076	50.6
111.11747	1.8
113.09641	9.3
115.05473	1.7
117.07008	6.0
118.99677	2.3
119.08566	29.5
121.06516	2.3
121.10132	24.5
123.08052	10.1
123.11742	8.6
125.09626	15.8
129.06975	4.5
131.08559	9.7
133.10124	28.3
135.08035	2.3
135.11700	18.4
137.09616	8.6
137.13229	3.3
139.11142	8.1
141.12769	1.8
143.08549	3.3
144.99496	1.5
145.10086	7.3
146.99171	1.9
147.11673	25.5
149.09589	9.3
149.13229	17.0
151.11162	36.8
153.09041	2.3
153.12729	4.7
157.10114	6.2
159.11659	5.3
161.09576	2.8
161.13246	18.5
163.11156	11.9
163.14828	3.9
165.12752	20.8
167.14372	1.8
171.11703	6.1
173.13263	4.3
175.11180	3.6
175.14909	8.8
177.12723	3.8
179.14279	13.7
181.12279	3.0
185.13275	5.8
189.11185	6.8
189.12785	3.8
193.12218	4.1
193.15837	2.3
193.75821	1.6
199.90709	1.8
203.14191	1.8
207.13850	4.3
221.15451	3.7
229.60852	1.5
231.20992	7.8
234.10558	1.8
235.16905	2.7
241.19469	8.9
249.12750	3.2
249.22108	7.4
259.20517	15.9
262.98514	4.1
277.21603	100.0
278.21909	4.8
295.13333	4.2
295.22644	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03931	2.8
55.01865	3.6
55.05503	15.8
56.68167	0.9
57.03403	2.2
57.07061	3.4
58.99569	3.3
67.05497	36.4
69.03422	1.5
69.07061	9.2
69.09679	6.7
71.04967	2.5
71.08631	19.8
77.02258	1.0
79.05492	16.6
80.05731	1.0
81.03413	5.7
81.07047	22.5
83.04973	5.1
83.08624	8.9
85.06524	2.5
89.00612	5.8
91.05468	10.5
93.07038	16.9
95.04957	7.1
95.08599	10.8
97.06528	6.6
97.10175	9.7
98.22697	1.9
99.08080	18.6
101.88074	1.0
105.07017	10.4
107.01647	17.1
107.08588	13.1
108.41740	1.0
109.06509	2.4
109.10142	10.7
111.08054	3.1
113.00007	100.0
117.00068	3.3
117.07018	3.2
119.08585	7.7
121.10158	6.9
123.08069	1.6
123.10777	1.2
123.11706	2.2
125.09629	6.8
127.01542	14.4
129.06966	2.2
131.08527	2.2
133.10092	6.0
135.08051	1.4
135.11691	8.0
137.09630	1.6
143.08554	1.3
145.10101	4.7
147.11658	6.0
149.02667	24.4
149.13225	5.0
150.38921	1.0
151.11157	14.8
153.09085	1.5
155.18289	1.0
157.10132	2.0
159.11703	1.6
161.13245	6.5
163.11130	6.3
163.14796	2.1
165.12730	2.5
171.11653	3.2
173.13261	2.1
175.14853	2.1
177.02077	1.7
177.12689	2.4
179.14262	6.0
185.13277	2.5
189.11185	3.1
189.12726	2.3
193.15891	1.6
199.14870	1.8
206.98149	18.1
207.13860	1.5
221.15248	1.3
231.21107	1.9
235.14653	2.5
235.16898	1.5
241.19545	3.2
249.12756	1.5
259.20523	6.2
277.12177	3.8
277.18564	1.7
277.21585	31.6
278.22122	1.7
295.13367	6.6
295.22647	5.7
296.25690	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03943	3.2
55.01859	7.0
55.05505	56.1
57.03436	16.6
57.07069	26.7
58.07403	3.7
65.03925	2.9
67.05499	98.3
69.03416	6.5
69.07063	88.1
69.20201	6.6
69.20602	4.1
70.07397	10.1
70.07808	4.0
71.04987	10.7
71.08616	7.8
79.05486	55.1
79.63956	1.9
81.03421	9.7
81.07050	100.0
83.04969	20.7
83.08610	27.8
83.20898	1.9
85.06534	6.4
85.10163	3.4
91.05477	32.3
93.07035	58.8
95.04961	23.4
95.08601	50.1
97.06531	11.5
97.10144	14.9
99.08075	6.0
101.99294	2.0
105.07026	26.6
106.50757	2.0
107.08582	29.7
109.06508	9.0
109.10141	22.0
111.08060	9.3
111.19641	1.9
113.09644	2.2
115.07566	14.8
116.07883	2.7
117.07004	4.9
119.08575	22.7
121.06480	2.5
121.10128	18.6
123.08060	7.4
123.11674	8.4
125.09594	10.2
126.99451	4.1
128.99138	2.8
129.00998	2.7
129.07019	5.6
131.00710	4.0
131.08527	9.3
133.10117	15.0
135.08037	4.0
135.11678	7.7
137.09593	9.0
137.13173	2.6
139.11172	10.8
141.01001	5.1
142.01372	2.8
143.00703	6.1
143.08540	2.7
143.47588	1.7
145.10127	4.5
147.08083	2.3
147.11649	11.9
149.13237	4.8
150.13470	2.0
151.11168	4.7
153.09070	3.0
153.12726	7.7
155.02568	2.1
155.10670	8.3
157.10139	3.8
159.11609	2.8
161.13213	9.6
163.11214	2.1
163.14830	3.3
165.12793	7.7
167.10561	1.8
167.14336	3.6
171.11684	2.6
173.13435	2.8
175.11174	6.0
175.14804	8.3
177.12650	2.8
179.14313	3.1
185.13359	2.0
187.14677	2.0
193.12204	2.6
197.07257	6.4
198.07594	19.3
199.06989	20.6
204.36473	2.0
207.13773	2.7
221.15251	2.9
231.21066	2.4
249.22139	4.0
259.20514	4.8
277.21609	38.1
279.58521	1.9
295.10175	6.7
295.13232	4.2
295.22601	33.5
296.09744	6.5
302.80518	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
51.02343	2.2
51.94640	2.1
53.03926	3.4
55.01871	13.0
55.05509	60.0
57.03403	9.5
57.07071	16.5
59.04992	3.6
65.03915	3.9
67.05499	98.4
69.03405	8.5
69.07067	55.8
70.55646	3.3
71.04955	10.0
71.08630	10.7
73.06516	2.9
73.09676	2.3
79.05486	68.8
81.03384	9.0
81.07053	100.0
83.04980	36.7
83.08611	28.3
85.06500	6.2
85.10144	5.4
91.05476	42.4
93.07038	81.9
95.04959	38.9
95.08604	63.4
97.06525	19.2
97.10167	18.6
98.92011	2.3
99.04432	2.4
99.08033	6.5
105.06382	2.7
105.07024	40.0
107.07962	2.1
107.08591	34.1
109.06516	14.0
109.09544	2.6
109.10146	27.0
111.08012	10.0
111.11713	3.1
113.09593	2.4
117.06973	4.9
119.08575	30.6
121.06474	4.3
121.10136	34.0
123.08015	8.5
123.11647	9.8
125.09640	12.8
129.06943	6.2
131.08533	11.0
133.06441	3.8
133.10109	18.8
135.07991	2.8
135.11670	15.4
137.09547	8.8
137.13214	3.3
139.11172	32.5
142.07722	2.6
143.08507	7.3
145.10022	8.4
146.48450	2.5
147.08055	2.5
147.10793	1.9
147.11690	20.1
149.09491	2.8
149.13261	11.8
151.11102	8.1
151.14783	2.7
153.12686	6.4
155.10583	2.3
156.09196	2.3
157.10052	9.2
159.11690	6.3
160.13060	2.2
161.13222	11.9
163.11150	2.5
163.14752	5.4
165.12697	10.1
167.14308	3.7
169.09972	2.9
171.11574	9.1
173.11743	4.2
173.13216	3.3
175.14725	4.6
177.12659	3.4
179.08511	3.2
179.14201	6.4
181.12149	2.8
183.11592	3.4
185.13167	8.9
189.12700	3.2
191.17821	2.4
193.10156	3.2
193.12123	5.5
193.15883	2.9
197.13167	2.9
199.14697	4.5
200.26985	2.5
201.16193	2.4
206.10632	3.6
207.11606	4.3
207.13643	4.6
209.13148	2.8
211.14783	4.7
220.12265	4.4
221.13344	4.4
221.15216	2.9
225.14513	2.3
231.17378	2.4
231.20958	4.5
234.14008	2.7
235.14819	10.9
236.15508	2.6
241.19354	6.0
249.12602	5.8
249.16310	4.9
249.21965	6.5
252.07568	4.0
253.12138	2.4
259.20407	10.0
277.12076	5.3
277.21606	80.1
278.21710	3.6
295.13098	14.0
295.16614	23.2
295.22501	93.1
296.22778	6.3
303.89862	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.19165	1.2
53.03943	3.0
53.14924	1.3
55.01871	7.1
55.05510	23.6
57.03422	2.1
57.07059	5.0
65.03938	2.2
67.05502	51.1
69.03399	1.4
69.07065	17.0
71.04984	2.3
71.08629	22.2
79.05490	28.9
79.56655	1.3
81.03410	9.2
81.07050	38.4
83.04971	7.5
83.08614	13.4
85.06533	3.0
91.04946	1.6
91.05483	17.4
93.07037	33.8
95.04955	11.5
95.08606	27.0
97.06509	5.0
97.10164	14.0
99.08078	19.3
105.07016	20.8
107.04930	3.1
107.08586	23.8
109.06508	2.2
109.10146	21.8
111.08052	3.3
113.00003	7.7
117.07010	5.6
119.08574	12.5
121.06502	2.1
121.10136	13.2
123.08045	7.0
123.11679	3.6
125.09617	11.4
127.01559	100.0
128.01894	1.4
129.06999	3.8
131.08530	7.5
133.10120	10.7
135.07976	1.8
135.11697	14.2
137.09610	2.0
137.13245	2.1
141.08882	1.2
142.07697	1.6
143.08522	6.8
145.10104	12.7
147.11664	9.1
149.09686	2.3
149.13268	7.1
151.11174	15.8
152.11450	1.3
153.12733	2.1
157.10127	5.6
159.11629	6.0
161.09547	1.3
161.13283	8.7
163.11177	5.7
163.14857	2.5
165.12808	2.5
169.10168	1.5
171.11719	5.9
173.13271	5.8
175.14789	3.7
177.16411	1.5
179.14267	7.0
181.12141	1.7
183.11688	2.3
185.13226	8.5
187.14784	1.9
189.11224	6.9
189.12732	1.7
199.14787	6.0
201.16354	1.6
205.29166	1.4
206.10814	1.8
207.13828	2.1
211.14752	2.2
213.16428	2.4
221.15346	2.0
225.16391	1.8
231.21062	2.1
234.10535	1.8
235.07402	1.6
239.17856	3.5
241.19473	3.8
249.12662	3.0
249.22047	1.8
259.20474	4.9
277.12119	3.3
277.21619	36.1
278.21939	1.7
295.13190	11.3
295.16254	2.6
295.24420	26.4
296.25623	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	295.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19165	1.2
53.03943	3.0
53.14924	1.3
55.01871	7.1
55.05510	23.6
57.03422	2.1
57.07059	5.0
65.03938	2.2
67.05502	51.1
69.03399	1.4
69.07065	17.0
71.04984	2.3
71.08629	22.2
79.05490	28.9
79.56655	1.3
81.03410	9.2
81.07050	38.4
83.04971	7.5
83.08614	13.4
85.06533	3.0
91.04946	1.6
91.05483	17.4
93.07037	33.8
95.04955	11.5
95.08606	27.0
97.06509	5.0
97.10164	14.0
99.08078	19.3
105.07016	20.8
107.04930	3.1
107.08586	23.8
109.06508	2.2
109.10146	21.8
111.08052	3.3
113.00003	7.7
117.07010	5.6
119.08574	12.5
121.06502	2.1
121.10136	13.2
123.08045	7.0
123.11679	3.6
125.09617	11.4
127.01559	100.0
128.01894	1.4
129.06999	3.8
131.08530	7.5
133.10120	10.7
135.07976	1.8
135.11697	14.2
137.09610	2.0
137.13245	2.1
141.08882	1.2
142.07697	1.6
143.08522	6.8
145.10104	12.7
147.11664	9.1
149.09686	2.3
149.13268	7.1
151.11174	15.8
152.11450	1.3
153.12733	2.1
157.10127	5.6
159.11629	6.0
161.09547	1.3
161.13283	8.7
163.11177	5.7
163.14857	2.5
165.12808	2.5
169.10168	1.5
171.11719	5.9
173.13271	5.8
175.14789	3.7
177.16411	1.5
179.14267	7.0
181.12141	1.7
183.11688	2.3
185.13226	8.5
187.14784	1.9
189.11224	6.9
189.12732	1.7
199.14787	6.0
201.16354	1.6
205.29166	1.4
206.10814	1.8
207.13828	2.1
211.14752	2.2
213.16428	2.4
221.15346	2.0
225.16391	1.8
231.21062	2.1
234.10535	1.8
235.07402	1.6
239.17856	3.5
241.19473	3.8
249.12662	3.0
249.22047	1.8
259.20474	4.9
277.12119	3.3
277.21619	36.1
278.21939	1.7
295.13190	11.3
295.16254	2.6
295.24420	26.4
296.25623	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	295.2268
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03938	8.7
53.36663	3.8
55.01867	66.6
55.05505	53.0
56.95755	3.9
57.03426	6.7
57.07065	17.3
59.05006	5.9
65.03928	4.8
67.05155	7.6
67.05497	83.6
69.03416	12.1
69.07060	53.1
71.04968	9.9
71.08628	38.4
71.43178	6.0
73.02910	5.1
75.35951	5.4
79.05484	54.1
81.03416	49.6
81.07052	95.7
83.04974	27.8
83.08620	45.1
85.06525	7.1
85.10176	13.7
91.05473	63.0
93.01051	4.3
93.07040	65.9
95.04963	29.6
95.08001	7.5
95.08586	49.2
96.69776	4.2
97.02902	7.6
97.06518	31.3
97.10158	11.9
97.58392	4.0
99.04482	6.1
99.08079	40.0
105.07022	44.9
107.04957	12.7
107.08575	37.7
107.82081	4.5
109.02858	11.6
109.06504	16.0
109.10159	19.7
111.04450	7.2
111.08067	63.0
113.09648	21.8
117.06980	8.4
119.04939	4.8
119.08572	20.8
121.06518	7.4
121.10146	33.9
123.08063	8.7
123.11678	9.3
125.09612	11.0
127.01546	23.3
129.07027	7.6
131.08562	16.0
133.10127	36.2
135.11682	19.7
137.09618	6.4
139.11189	14.6
143.08548	6.6
145.10098	12.6
147.11679	34.3
149.09624	12.2
149.13257	22.2
151.03902	74.9
151.05017	9.2
151.11180	39.9
153.12766	6.1
157.10080	11.5
159.11626	11.5
161.13268	20.4
163.11153	12.7
163.14809	5.2
165.12723	31.7
171.11717	8.1
173.13298	6.0
175.11140	7.0
179.14342	19.0
185.13326	6.1
206.10803	6.2
220.95224	6.2
221.13321	5.6
231.21027	4.8
234.10393	7.4
241.19565	9.3
249.12651	13.6
249.22060	8.0
252.07935	5.2
259.20569	14.5
262.09906	7.4
266.09317	8.2
277.12198	16.5
277.21603	100.0
295.08197	15.8
295.12936	12.7
295.15594	43.1
295.22656	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	295.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58832	0.5
53.03942	0.6
53.98324	0.6
55.01859	1.0
55.05511	4.8
57.07066	2.1
65.03923	0.6
67.05501	13.1
69.07065	7.9
70.07388	0.7
71.05016	0.6
71.42972	0.7
73.10415	0.6
79.05486	9.0
81.07049	21.8
83.05006	0.6
83.08619	3.1
91.05473	10.3
93.07042	17.1
93.07604	1.3
95.04960	2.6
95.08605	20.0
97.06521	0.7
97.10163	2.1
99.08110	0.7
105.04476	0.9
105.07024	20.2
107.08586	14.8
107.09258	1.1
109.06516	0.8
109.10152	10.3
115.05463	1.1
117.07017	4.6
119.06232	0.8
119.08575	19.8
121.10150	7.9
123.11718	3.3
128.06233	1.8
129.06998	4.1
130.07817	1.3
131.08563	11.7
133.10120	11.9
135.11691	7.4
137.13293	1.3
141.06969	1.3
142.07788	2.3
143.08551	12.2
144.09291	1.2
145.10118	21.0
147.11696	10.8
149.13260	5.4
151.11174	0.8
155.08536	4.1
156.09288	1.6
157.10127	12.6
159.11682	15.6
159.12952	1.2
161.13258	6.8
163.14809	3.4
165.06993	0.7
167.08580	0.7
168.09093	0.7
169.10080	4.5
170.10948	0.8
171.11674	9.9
172.12318	0.7
173.13239	8.9
174.27921	0.6
175.14845	1.9
177.16422	0.6
181.10146	0.8
182.10924	0.9
183.11687	6.7
184.12413	0.7
185.13246	13.3
187.14815	7.9
189.16351	1.1
193.09921	0.6
195.11676	0.7
196.12448	0.9
197.13229	6.3
199.07056	1.3
199.14812	12.2
199.16656	0.8
200.15547	0.8
201.16377	6.3
203.17914	0.7
205.10165	0.9
206.10902	2.0
207.11656	0.9
208.26904	0.6
211.14760	5.3
212.15337	0.6
213.16371	8.1
215.16228	0.6
215.17920	3.5
220.12558	1.1
221.13297	1.2
223.14792	0.9
225.16348	6.4
226.16949	0.7
227.17926	3.1
229.19580	1.0
233.09576	0.7
234.06984	0.7
234.10350	1.6
235.07593	1.3
235.14738	1.7
237.16637	0.8
239.12660	0.7
239.17902	10.4
240.18556	1.9
241.19527	0.7
249.12749	3.3
252.07849	2.0
253.19412	4.2
262.09863	2.1
265.08481	0.9
266.09528	1.3
267.21198	1.9
277.12192	5.0
277.21494	1.8
280.10870	0.6
295.13354	13.2
295.17023	2.5
295.24207	100.0
296.13605	1.2
296.24521	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	296.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14644	3.0
54.40782	2.5
69.03415	5.7
70.06568	3.4
70.19517	5.5
71.04992	36.4
81.07048	5.6
84.04491	5.5
84.08151	3.8
85.02916	9.4
86.09689	3.2
94.67165	2.7
97.02895	4.5
99.08077	41.1
99.95689	3.2
103.94291	2.8
107.95349	2.7
109.02847	3.6
116.98602	2.9
117.09125	100.0
117.29936	3.1
120.08101	8.7
121.08434	10.6
127.03945	3.7
136.07535	3.5
137.07903	4.4
145.04948	5.2
166.08591	3.6
201.19530	2.7
206.50410	3.3
207.07033	3.3
234.92639	4.9
253.08282	2.8
278.12531	4.3
296.13385	5.4
296.15897	10.8
297.15173	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	296.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.0
67.05491	3.2
69.07070	3.0
70.04071	73.3
70.32158	2.0
71.43497	2.2
79.05474	2.2
81.07059	4.7
83.04965	4.2
91.05475	2.3
93.07047	3.1
95.08595	3.2
96.22163	1.8
101.09451	1.8
119.08590	2.1
130.53629	2.0
137.89720	1.9
147.07993	1.9
157.10236	2.3
236.15202	2.8
278.12585	2.3
278.21906	3.4
278.24683	3.9
296.13440	12.7
296.16858	3.7
296.25601	100.0
297.25916	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	297.0759
Annotation	3'-Methoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
56.96549	0.5
57.74918	0.3
65.03942	0.5
67.05493	0.5
69.05850	2.0
69.07052	0.3
73.51667	0.2
73.85790	0.3
79.05486	1.1
81.03396	0.3
81.07036	0.7
85.59410	0.2
91.05481	2.0
93.07056	0.4
95.04945	0.8
95.08601	0.5
98.97580	2.9
105.06996	2.2
107.04955	0.6
109.06471	0.3
116.98622	2.2
118.04153	0.8
119.01253	0.4
119.04940	3.1
119.08580	0.4
121.02871	3.8
121.03720	0.5
121.10149	0.4
131.08545	0.5
133.06474	0.7
133.10059	0.3
134.99666	0.8
135.04413	0.7
136.06126	0.3
138.03094	0.4
145.02850	8.1
147.00809	0.3
153.06947	0.3
155.08615	0.3
159.11665	0.3
165.01834	6.6
167.03416	0.4
169.10120	0.6
171.11650	0.5
177.05499	0.9
178.07712	0.4
179.08446	0.4
181.06476	0.5
183.02873	0.5
183.11667	0.3
193.10013	0.3
196.12584	0.4
197.13187	0.4
199.11165	0.3
207.11682	0.3
209.05984	0.3
210.06752	2.4
211.14961	0.4
221.05949	1.5
225.09145	0.3
225.16389	0.4
237.05438	5.1
237.09071	0.4
238.06216	2.5
239.06845	0.4
249.70721	0.3
251.14281	0.4
253.08646	3.3
253.15784	0.4
265.08591	0.5
270.05188	0.7
274.97565	2.8
279.13876	0.3
279.17331	0.5
292.98480	1.7
297.07562	100.0
297.18246	3.8
297.98969	0.3
298.07895	4.4
310.16165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.076
Annotation	5-Methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.00305	0.5
68.99787	0.8
69.03415	0.5
71.43026	0.4
77.03908	0.4
79.05499	2.1
81.03400	0.6
82.23711	0.4
89.03899	0.4
91.04943	0.7
91.05479	8.4
93.76721	0.3
95.01301	2.1
95.04999	0.9
103.05466	18.0
105.03385	1.5
107.04941	1.8
119.01301	4.7
120.98926	0.4
121.02824	0.6
123.00788	0.9
128.06189	0.4
131.04926	27.7
132.05254	0.7
137.02301	2.0
139.00221	1.0
141.01718	0.4
145.02820	1.1
145.03935	0.4
147.00769	21.4
148.01080	0.6
149.02344	0.6
152.06218	0.7
157.01259	0.7
163.03938	1.1
165.01837	23.9
165.07016	0.6
167.08531	1.8
167.79471	0.3
173.02345	10.4
174.02713	0.4
175.00256	1.0
175.03915	0.3
177.01802	2.6
177.06966	1.0
178.07779	0.5
179.08601	0.4
183.02917	0.5
191.03375	2.5
193.01323	100.0
194.01601	2.2
195.08087	2.5
205.06482	2.0
206.02286	0.4
211.02332	0.9
213.62827	0.3
219.02887	7.9
223.07524	4.6
227.06891	0.6
233.05923	1.9
237.05496	0.6
251.07037	3.3
253.78729	0.3
255.06544	1.5
261.05432	3.3
268.07330	0.6
269.07968	0.5
279.06531	4.5
280.06808	0.4
282.05161	0.4
297.07556	86.6
298.07916	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	297.1331
Annotation	Amotin
Peak:m/z	Relative Intensity
55.01875	6.3
57.03436	6.1
61.02922	5.0
69.03429	91.4
70.58965	3.1
71.04999	6.6
75.04494	6.7
79.05503	8.9
80.89758	3.2
81.03416	6.1
85.02899	32.0
87.04488	3.9
88.72607	3.7
91.05470	30.1
93.07050	13.5
95.04978	9.6
97.02921	12.8
99.04447	3.7
99.99992	3.6
103.05454	55.8
105.07018	46.8
107.04980	3.7
109.06512	5.5
111.04467	4.6
115.05443	34.8
117.07032	19.6
119.04934	11.4
121.06492	16.6
125.02386	4.4
128.06250	8.8
129.06985	24.7
131.04929	92.5
131.08560	4.6
133.06483	28.9
135.04404	5.8
135.08101	13.3
136.05247	5.3
136.06207	8.3
136.11366	4.0
137.05952	10.1
141.06996	10.3
143.04915	18.2
144.05681	6.4
145.06458	21.9
147.04396	7.6
147.08034	5.4
149.06003	11.3
150.06764	5.6
151.07559	80.3
153.06955	7.2
155.08600	7.7
157.06497	21.8
158.07118	3.8
159.08269	3.6
160.05170	20.1
161.05991	32.5
163.07527	63.1
164.04672	7.4
165.09105	88.1
171.08087	5.8
173.05968	8.3
174.06825	5.8
175.07549	63.6
177.05490	3.9
177.09123	16.6
178.06291	6.0
179.07025	71.1
179.08443	6.4
181.06528	7.8
181.08572	28.2
185.05948	10.3
187.07579	13.0
189.09134	18.6
190.09447	4.2
191.07053	9.1
193.01357	15.3
193.08586	100.0
194.08987	4.9
199.07559	6.2
201.09158	7.9
203.06975	25.5
205.08575	48.2
207.10239	3.9
209.08128	11.5
211.04356	3.8
211.07556	4.5
217.08574	29.4
219.10153	8.3
221.08040	6.9
223.07465	4.4
223.09621	16.6
227.06981	4.6
233.11833	12.1
235.09665	22.4
243.10152	14.5
251.06918	5.9
261.11313	24.2
279.06250	4.5
279.12228	26.3
282.77078	4.4
297.07620	12.4
297.13181	8.6
299.06079	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	297.1486
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
54.79634	0.4
55.05507	1.5
57.03424	0.3
57.06822	0.5
57.07077	7.0
58.07404	1.2
59.04992	0.3
61.36960	0.3
67.05507	3.1
68.05830	0.7
69.03416	1.1
69.07065	2.1
69.13450	1.9
79.05485	1.3
80.05818	0.3
81.07050	2.4
82.07378	0.4
83.04935	0.3
83.08628	0.7
85.06560	0.5
87.39806	0.3
88.22950	0.3
91.05472	1.1
92.05749	0.3
93.07051	1.5
95.04957	0.9
95.08611	2.6
96.08939	0.6
97.06509	0.5
98.97568	1.2
105.07016	0.6
107.08612	1.5
109.06503	0.6
109.10143	2.0
110.10529	0.6
111.04444	0.3
115.07546	1.0
116.98582	1.5
117.07047	0.4
119.08569	1.1
121.06490	0.9
121.10144	1.0
123.08025	1.5
123.11681	0.7
127.11194	2.7
128.11522	1.5
129.06989	0.3
131.08582	0.4
133.10110	0.9
134.99649	0.7
135.08046	3.0
135.11667	1.2
136.06154	0.4
136.12024	0.8
137.09642	0.4
143.04906	0.4
143.08585	0.5
145.06482	0.3
145.10138	0.8
147.08131	0.3
147.11653	0.4
149.09666	0.5
149.13283	0.3
153.12703	0.5
155.08563	0.5
157.10094	0.4
159.11729	0.6
163.07536	1.2
165.06984	0.9
166.07759	0.6
167.03297	0.3
167.08588	0.8
169.10101	1.1
169.12271	1.0
170.12587	1.1
171.11650	0.4
173.13261	0.7
175.11169	0.4
176.12016	0.6
177.09146	0.7
178.07852	0.3
179.08519	1.2
180.09273	0.6
181.06491	0.6
181.10118	2.4
183.08047	1.1
183.11678	0.5
185.09666	1.3
187.14799	0.6
190.07780	0.4
191.08540	0.6
191.14311	6.1
193.10121	2.3
194.10909	1.2
195.08041	1.2
195.11668	1.2
197.05983	0.9
197.09604	1.7
203.08588	0.4
204.09346	0.3
205.10201	0.5
205.15884	0.9
207.08051	1.2
207.11755	0.5
208.08823	1.2
208.12465	1.5
209.09613	3.4
209.13260	1.1
211.07585	1.6
211.11057	0.4
213.05501	0.4
215.14311	1.1
217.64955	0.3
218.10954	0.6
221.05988	1.1
221.09610	2.8
222.10338	2.5
223.11229	1.1
223.14801	2.2
225.09105	1.2
226.06239	0.7
227.07034	2.0
227.14413	0.4
231.08122	0.3
233.13231	1.1
233.15337	8.2
235.07535	1.3
236.08339	1.0
236.11893	2.7
237.09087	3.5
237.12659	2.3
237.16287	0.5
238.09843	0.9
239.07030	3.1
239.10608	0.7
241.08588	0.8
241.12192	0.4
246.10342	0.6
247.17036	0.6
249.09082	2.7
250.09869	2.1
251.10295	0.6
251.14313	18.7
252.14647	1.1
253.08588	2.1
253.85533	0.3
254.09372	15.9
255.09976	1.3
261.12827	0.9
263.10690	0.3
264.11490	3.5
265.18079	1.7
267.10101	3.6
268.08151	0.6
268.10925	8.3
269.11575	0.7
269.15231	0.7
274.97501	1.8
279.13788	12.3
279.19760	0.6
279.23160	0.7
280.14105	0.6
280.23560	2.6
282.12482	8.8
283.12875	0.6
292.98615	1.2
297.14841	100.0
298.15204	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1848
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03934	2.3
55.01850	1.1
55.05504	4.5
56.96553	0.9
57.03432	1.2
57.07066	1.5
65.03975	0.9
67.05492	8.4
68.99795	1.0
69.03436	4.7
69.07077	3.1
71.04987	0.8
76.36615	0.7
79.05479	6.0
81.02965	1.1
81.03416	19.7
81.07053	10.7
83.04980	4.1
91.05466	7.7
93.07040	7.8
94.38645	0.6
95.04960	6.7
95.08605	8.1
97.06528	1.0
98.97585	4.4
105.03428	1.0
105.07018	9.9
107.04951	1.0
107.08589	5.3
109.06493	4.6
109.10136	2.4
111.04437	4.0
111.08103	0.7
115.05486	1.5
116.98597	2.0
117.07008	3.3
119.08568	8.6
121.06499	3.2
121.10110	2.7
123.08063	1.5
128.06233	2.8
129.06992	5.3
130.07797	0.9
131.04930	1.1
131.08559	9.1
133.06461	1.8
133.10146	5.1
134.99638	1.2
135.08034	1.5
135.11711	0.9
141.06946	3.9
142.07816	3.2
143.08546	10.0
144.09244	0.8
145.06458	2.5
145.10103	13.1
147.08017	4.0
147.11670	2.4
149.09584	1.5
149.13231	0.7
152.06255	1.1
153.06976	1.5
155.08559	8.5
156.09315	3.6
157.10118	10.4
158.07321	0.6
158.10905	0.8
159.08032	2.9
159.11684	8.9
161.09610	4.7
161.13243	2.4
165.07025	3.4
166.07776	1.4
167.08533	5.0
168.09299	2.0
169.10112	10.4
170.10869	2.2
171.08070	3.0
171.11682	7.2
172.00198	0.7
172.08885	0.8
173.09520	3.0
173.13280	3.9
175.11211	1.7
178.07794	0.7
179.08553	5.3
180.09320	2.4
181.10123	8.6
182.10904	3.8
183.08034	1.4
183.11658	10.1
185.09586	2.8
185.13264	6.7
187.11130	4.6
187.14787	10.2
189.09039	0.9
189.12712	2.9
192.09256	1.7
193.10152	5.0
194.04520	1.4
194.10924	3.1
195.08058	1.4
195.11656	10.0
196.08829	0.6
196.12498	3.9
197.09569	2.1
197.13246	9.5
198.13950	1.1
199.11192	2.7
199.14789	3.9
201.08951	0.7
201.12730	2.6
204.09366	0.9
205.10141	2.2
206.10881	1.7
207.11693	5.1
208.12448	2.6
209.09619	1.7
209.13245	9.1
210.13899	1.2
211.11179	2.0
211.14780	7.7
212.15517	1.2
213.12761	3.0
213.16345	2.8
213.47823	0.6
215.10658	0.8
215.14299	8.4
216.15027	2.0
218.10831	1.2
219.11635	2.4
220.12524	1.9
221.13234	3.6
222.13985	1.5
223.11156	3.2
223.14642	3.6
225.12746	2.6
225.16345	3.7
226.13298	0.8
227.10648	1.2
227.14275	2.9
231.11688	1.4
232.12381	1.1
233.13252	1.7
235.14827	6.2
236.15553	1.6
237.12671	3.0
237.16368	4.1
238.13597	0.7
239.14272	1.5
241.12225	1.3
241.15703	1.0
241.19463	1.1
246.14070	1.5
249.16359	1.2
251.14310	2.7
251.17924	10.4
252.18135	0.8
253.15869	7.9
255.13861	1.2
255.17381	0.9
261.16440	2.7
267.17398	1.2
269.15851	1.0
269.18970	10.5
274.97531	3.6
279.17395	14.0
280.17953	0.7
292.00806	1.2
292.98596	2.8
297.18460	100.0
297.99664	1.2
298.18686	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1848
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03946	1.1
54.49180	0.6
55.01857	1.0
55.05513	4.7
57.03439	1.2
57.07084	0.7
67.05499	7.8
69.03429	7.8
69.07057	2.0
71.42635	0.7
79.05492	7.1
81.03414	19.6
81.07057	9.0
83.04973	5.4
85.06523	0.9
85.60737	0.5
91.05478	8.7
93.07043	8.0
95.04961	6.0
95.08595	7.1
97.06525	0.7
98.97581	2.2
103.05462	1.0
105.04505	0.6
105.07024	10.9
107.04951	1.1
107.08591	5.5
109.06516	4.9
109.10133	2.1
111.04444	8.0
115.05463	1.9
116.98651	1.1
117.07010	4.1
119.04966	0.9
119.08576	9.6
121.06499	2.3
121.10122	2.6
123.04429	0.7
123.08088	1.6
128.06207	1.7
129.07016	4.5
130.07762	1.1
131.08566	8.6
133.06493	4.0
133.10103	5.2
135.08038	1.7
135.11603	1.1
138.50307	0.6
140.33289	0.6
141.06949	3.5
142.07814	4.0
143.08569	7.3
144.09296	1.0
145.06467	2.2
145.10117	13.8
147.08061	2.6
147.11673	1.5
149.06064	0.7
149.09587	1.7
153.06981	1.9
154.07793	1.1
155.08511	6.5
156.09404	3.2
157.06497	0.9
157.10118	11.0
158.10846	0.8
159.08055	3.1
159.11702	8.6
161.09621	2.9
161.13258	2.6
165.07019	2.6
166.07703	1.3
167.08533	4.2
168.09344	1.9
169.06477	1.0
169.10112	8.4
170.10851	2.1
171.08052	2.3
171.11694	8.7
173.09624	2.5
173.13258	4.3
175.11212	1.6
179.08507	4.8
180.09323	2.3
181.10112	6.5
182.10852	2.6
183.07925	0.9
183.11696	7.2
185.09596	2.6
185.13246	5.7
187.11230	5.1
187.14815	14.7
189.12790	2.7
191.08670	1.1
192.09311	2.1
193.10100	4.0
194.10864	3.1
195.11671	9.6
196.08826	0.7
196.12445	2.6
197.09605	1.8
197.13245	7.3
198.13763	1.1
199.11212	1.4
199.14789	2.7
201.12776	1.9
203.10660	0.8
204.09386	0.9
205.10098	2.3
206.10837	1.0
206.79385	0.7
207.11688	5.1
208.08815	1.1
208.12389	1.7
209.09749	1.4
209.13286	8.5
210.13982	1.1
211.11191	2.5
211.14761	4.9
213.12770	4.0
213.16319	1.7
215.14304	7.7
216.14938	1.0
219.11562	1.6
220.12514	1.4
221.09700	0.9
221.13286	3.9
222.13945	0.8
223.11176	2.4
223.14755	3.3
225.12755	1.5
225.16386	2.5
227.10620	0.9
227.14294	2.8
229.15811	0.9
231.11673	2.0
233.13268	1.4
235.11069	0.9
235.14783	4.0
236.15446	1.3
237.12732	1.7
237.16338	2.7
239.14182	1.2
241.12296	0.8
241.15465	0.8
241.19572	1.3
249.12860	0.7
249.16402	1.2
251.14232	2.3
251.17915	8.5
251.20297	0.9
252.18401	0.8
253.15826	5.0
255.13863	1.3
255.17470	1.2
261.16400	2.3
267.17422	1.7
269.18982	9.7
274.97522	1.5
279.17419	16.5
289.87088	0.7
292.98557	0.7
297.18466	100.0
298.18814	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	297.1848
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03947	2.2
55.01847	3.4
55.05506	11.2
57.03421	3.5
57.07053	3.3
62.62152	1.4
63.94519	1.5
67.05501	12.7
69.03428	11.6
69.07058	7.4
71.44278	2.7
72.46402	1.8
79.05492	10.9
81.03409	21.3
81.07044	12.9
83.04980	10.7
83.08586	5.5
88.07587	1.4
91.05484	10.4
93.07036	13.2
95.04964	10.3
95.08594	15.8
97.06509	3.7
97.10190	2.1
98.97580	6.5
105.07015	12.3
107.04926	2.7
107.08572	10.4
109.06504	4.6
109.10133	8.4
111.04435	10.1
111.08068	1.9
116.06152	1.7
116.98615	5.2
117.07017	5.1
118.07301	1.5
119.08561	12.1
121.06512	2.6
121.10137	10.3
123.11716	3.1
128.06215	2.8
129.05447	2.3
129.06978	5.5
131.08543	14.0
133.06444	1.7
133.10133	4.7
134.99628	3.7
135.08003	1.8
135.11638	3.8
141.06966	4.2
142.07750	3.7
143.08565	12.9
145.06477	2.8
145.10106	18.9
147.08051	2.0
147.11703	3.2
153.07016	2.6
155.08514	6.1
156.09346	6.5
157.10120	12.0
159.08005	5.2
159.11659	12.7
161.09566	3.2
161.13156	2.3
165.07019	4.0
167.08511	3.5
168.09372	1.6
169.10088	11.8
170.10783	2.0
171.11572	7.4
173.09563	2.3
173.13263	3.8
175.11134	1.7
179.08492	3.7
180.09392	1.9
181.10016	8.1
182.10764	4.5
183.08028	2.1
183.11647	7.2
185.09604	3.2
185.13239	7.7
187.11174	5.4
187.14798	19.5
189.12724	2.7
190.07889	1.7
191.08549	2.3
193.10126	5.8
194.10913	3.2
195.11684	8.6
196.12343	4.2
197.09532	4.5
197.13268	6.7
199.11169	3.8
199.14757	3.4
201.12633	2.4
203.14355	2.5
205.10121	2.3
205.19482	2.6
206.10895	1.7
207.11710	6.0
208.12369	2.4
209.09537	2.2
209.13164	8.8
211.11047	2.2
211.14784	5.7
213.12576	2.3
215.14246	7.6
219.11662	3.4
221.13286	3.5
223.11156	3.4
223.14803	3.8
225.12799	1.9
225.16432	1.9
231.06349	2.1
235.14731	3.6
236.15533	1.7
237.12619	4.0
237.16335	3.6
239.14452	1.6
241.19371	2.2
243.68236	1.5
246.13843	1.7
251.14325	2.9
251.17929	10.8
253.15799	6.1
255.17555	1.6
269.18890	9.6
274.97556	9.5
279.14526	2.5
279.17389	18.0
279.22940	2.6
282.05051	2.1
292.98502	6.1
297.07550	3.6
297.14844	10.9
297.18423	100.0
297.24075	6.8
297.99731	2.1
298.18704	2.9
316.00980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2212
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
51.69754	0.9
55.05507	6.1
56.12219	0.9
57.07085	1.6
67.05496	11.0
69.03416	1.5
69.07061	9.1
69.86343	2.8
71.04989	1.3
79.05491	8.9
81.03387	1.2
81.07049	20.4
83.04981	1.3
83.08617	3.5
85.06524	1.1
91.05474	11.5
93.07036	17.7
95.04963	18.3
95.08592	17.4
97.06532	2.6
97.10168	1.7
98.22829	1.6
98.97596	3.0
105.07018	20.0
107.08586	15.4
109.06517	3.5
109.10154	8.5
115.08698	1.4
116.98613	2.9
117.07019	5.7
119.08561	17.6
121.06509	1.6
121.10148	9.7
123.08097	1.3
123.11713	3.8
128.06212	2.2
129.07008	5.6
130.07739	1.8
131.08563	12.7
133.10112	10.9
135.08029	3.5
135.11697	4.7
137.09599	1.1
141.07016	3.1
142.07780	4.9
143.08542	14.6
144.09251	1.7
145.10112	21.1
147.08018	1.6
147.11658	8.3
149.09645	1.5
149.13257	3.4
153.06914	1.4
155.08527	8.4
156.09344	2.7
157.10132	18.1
159.08014	2.2
159.11682	15.1
161.09650	2.8
161.13211	3.7
163.11201	1.4
167.08575	2.3
168.09282	1.3
169.10106	9.8
170.10864	1.2
171.11688	13.9
172.12511	1.4
173.09694	2.3
173.13281	8.9
175.11185	1.7
175.14784	3.0
179.08603	1.8
181.10074	6.3
182.10883	2.2
183.11676	11.5
184.12407	1.1
185.09695	1.2
185.13300	12.4
187.11177	3.3
187.14853	5.2
189.12706	2.1
189.16481	1.9
193.10091	2.2
194.10890	1.4
195.11659	7.0
196.12381	1.9
197.13228	9.4
198.13905	1.9
199.14787	12.5
200.15559	2.9
201.12787	1.3
201.16385	5.5
203.14258	1.3
208.12422	1.4
209.13240	8.2
210.13931	1.4
211.14771	10.7
213.12747	2.3
213.16316	9.4
215.14323	3.8
215.18008	1.3
217.15891	1.2
223.14760	9.9
225.16389	2.4
227.14290	4.2
227.17934	2.9
229.16064	1.4
237.16403	6.6
239.17953	4.9
241.15878	6.1
241.19615	1.5
246.46979	1.2
251.18004	2.5
253.19539	9.9
254.09172	1.2
255.17453	3.4
255.21039	3.1
267.21393	1.4
269.22516	6.6
274.97568	3.1
279.21024	26.2
292.98477	1.9
297.15356	6.2
297.22110	100.0
297.25525	9.4
298.19406	1.1
298.22415	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	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.95472	0.2
57.41569	0.2
61.01151	5.8
69.03409	0.3
70.92667	0.2
75.02697	2.3
90.25694	0.2
94.04053	0.3
97.02888	1.7
103.02150	0.4
117.80316	0.2
119.03538	0.8
136.06180	100.0
137.04636	0.3
137.05609	0.2
137.06651	0.9
145.03191	1.7
146.80995	0.2
163.04251	1.4
179.13051	0.2
198.39642	0.2
238.07780	0.2
298.09683	3.8
298.62192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58041	0.3
53.03936	0.7
55.05500	1.4
56.96558	1.0
57.07058	1.6
60.04508	0.6
65.03946	2.1
67.01862	0.7
67.05502	2.4
68.05016	0.8
68.99458	0.3
68.99791	1.5
69.03413	1.1
69.07069	2.1
71.08616	1.5
79.05499	0.5
80.05020	2.5
81.07066	2.2
82.06583	3.2
83.08619	1.6
85.10186	0.4
91.05482	1.1
92.05007	0.5
93.03394	1.2
93.07027	0.5
95.04940	0.4
95.08606	1.8
95.94044	0.3
96.04495	1.0
97.10148	1.3
98.06059	4.3
98.64016	0.3
98.96980	0.6
98.97581	7.4
105.03410	0.4
105.07031	0.8
107.01304	0.3
109.10143	1.2
110.06030	5.2
111.04483	0.3
111.11756	0.4
113.85229	0.3
115.05511	0.4
116.98630	6.1
120.04457	2.1
121.02872	10.4
121.10167	0.6
123.07985	0.4
123.11705	0.5
124.00279	0.4
124.03949	0.5
126.05496	1.9
131.04932	0.5
133.10109	0.5
134.99678	3.1
135.11676	0.4
138.01900	0.7
138.05501	6.0
140.00174	0.5
140.05006	0.5
142.04901	0.5
142.06561	0.4
147.04448	0.3
148.03900	0.5
149.02336	15.8
152.03398	0.4
153.00740	0.6
153.01830	0.6
154.06522	0.5
155.14310	0.4
165.04192	0.4
166.04999	5.3
181.03618	0.5
184.06038	0.8
193.99171	4.4
194.04485	100.0
195.04796	2.3
198.05508	1.5
212.01932	0.4
212.05554	3.5
229.40814	0.4
231.06465	0.7
232.96312	0.7
245.22722	0.6
256.06223	0.4
256.09683	1.3
256.96457	0.6
263.23645	0.7
266.04526	1.9
274.97488	8.3
283.05856	0.5
285.17435	0.3
292.98560	5.0
297.99454	0.9
298.05304	1.4
298.10712	16.6
298.27539	0.7
298.30872	0.6
299.05469	2.1
299.09085	1.3
316.00500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58041	0.3
53.03936	0.7
55.05500	1.4
56.96558	1.0
57.07058	1.6
60.04508	0.6
65.03946	2.1
67.01862	0.7
67.05502	2.4
68.05016	0.8
68.99458	0.3
68.99791	1.5
69.03413	1.1
69.07069	2.1
71.08616	1.5
79.05499	0.5
80.05020	2.5
81.07066	2.2
82.06583	3.2
83.08619	1.6
85.10186	0.4
91.05482	1.1
92.05007	0.5
93.03394	1.2
93.07027	0.5
95.04940	0.4
95.08606	1.8
95.94044	0.3
96.04495	1.0
97.10148	1.3
98.06059	4.3
98.64016	0.3
98.96980	0.6
98.97581	7.4
105.03410	0.4
105.07031	0.8
107.01304	0.3
109.10143	1.2
110.06030	5.2
111.04483	0.3
111.11756	0.4
113.85229	0.3
115.05511	0.4
116.98630	6.1
120.04457	2.1
121.02872	10.4
121.10167	0.6
123.07985	0.4
123.11705	0.5
124.00279	0.4
124.03949	0.5
126.05496	1.9
131.04932	0.5
133.10109	0.5
134.99678	3.1
135.11676	0.4
138.01900	0.7
138.05501	6.0
140.00174	0.5
140.05006	0.5
142.04901	0.5
142.06561	0.4
147.04448	0.3
148.03900	0.5
149.02336	15.8
152.03398	0.4
153.00740	0.6
153.01830	0.6
154.06522	0.5
155.14310	0.4
165.04192	0.4
166.04999	5.3
181.03618	0.5
184.06038	0.8
193.99171	4.4
194.04485	100.0
195.04796	2.3
198.05508	1.5
212.01932	0.4
212.05554	3.5
229.40814	0.4
231.06465	0.7
232.96312	0.7
245.22722	0.6
256.06223	0.4
256.09683	1.3
256.96457	0.6
263.23645	0.7
266.04526	1.9
274.97488	8.3
283.05856	0.5
285.17435	0.3
292.98560	5.0
297.99454	0.9
298.05304	1.4
298.10712	16.6
298.27539	0.7
298.30872	0.6
299.05469	2.1
299.09085	1.3
316.00500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86658	0.9
56.96563	2.5
70.50024	2.2
72.04526	1.3
72.31301	0.9
81.51088	0.8
88.02246	1.1
98.48683	0.8
98.97583	17.5
100.23094	0.8
104.01717	0.9
106.03247	100.0
114.96133	1.8
115.77967	0.9
116.98631	11.3
126.96100	0.9
134.99673	3.4
136.06187	1.1
139.00208	0.8
142.69473	0.8
154.95761	0.8
185.99834	58.0
186.81967	0.9
187.00076	0.9
193.90329	0.9
232.96367	1.0
256.96381	2.0
268.19806	0.9
274.97488	14.6
292.98492	8.9
299.05658	2.4
299.16757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14258	2.4
56.96559	4.8
60.05655	3.2
63.43484	1.9
65.94584	2.1
67.25892	2.0
67.33528	2.2
70.06591	24.9
70.95847	7.5
71.40758	2.2
83.00984	6.1
89.08252	2.2
97.07644	3.6
98.97585	11.9
100.03624	3.4
101.00874	3.0
101.02017	10.8
112.03590	6.1
113.01955	2.4
116.98652	10.2
118.04670	12.1
119.01923	6.7
119.03010	2.5
125.05614	2.3
127.07167	2.4
130.04626	6.8
132.06213	2.3
134.99657	3.7
136.06213	50.1
140.06689	4.1
142.08240	13.5
145.08176	2.8
151.08281	2.2
152.06726	5.3
154.08308	6.6
155.06627	10.2
156.05064	4.6
158.07771	3.7
159.04973	2.1
159.10985	2.9
160.09319	9.5
162.06168	3.2
168.06216	4.8
169.09354	33.7
170.07767	7.5
170.09474	2.5
171.06201	3.0
171.10909	53.6
172.09332	21.5
173.07739	31.2
177.00909	13.5
178.01108	4.0
179.00754	6.4
179.07935	2.6
180.06194	3.2
186.07295	4.9
187.10405	23.8
189.10281	3.8
189.11971	63.9
190.12167	4.4
190.94960	5.6
197.08998	13.4
198.07321	3.9
203.02544	5.3
208.96036	10.0
211.09218	5.3
214.96527	7.3
215.09930	100.0
216.08339	12.6
216.10156	4.3
219.01996	17.7
220.02092	5.7
221.01796	11.2
227.04051	3.0
231.98985	2.2
232.96053	9.1
233.10919	59.0
234.10994	4.2
238.10335	81.3
239.08479	19.8
239.10945	3.8
243.02148	4.7
249.42363	2.2
250.97115	8.6
251.97253	2.7
252.43475	2.2
256.04489	3.6
256.97604	23.8
257.09583	11.3
261.03036	37.2
262.03207	6.3
273.95337	2.8
274.97064	32.3
275.04535	10.1
275.97165	3.7
280.12564	23.5
281.10980	6.1
292.98151	14.8
298.07767	3.4
298.13782	40.7
298.18668	4.6
298.98547	17.7
299.09622	9.5
316.09427	10.2
316.98764	6.1
317.08456	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	298.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36068	0.3
56.96553	0.4
59.04989	1.0
61.80294	0.2
67.77730	0.2
70.06593	0.4
71.40195	0.3
72.08102	0.3
74.18144	0.2
80.17468	0.3
81.03438	0.3
84.72874	0.2
86.09695	2.1
87.04458	100.0
88.04789	1.0
89.06011	3.6
97.07640	0.3
98.97569	3.3
116.98621	1.9
128.00746	0.7
130.06438	0.3
133.08553	1.4
134.99657	1.0
136.03944	1.4
136.06168	3.3
154.04953	1.7
161.33800	0.2
168.03679	0.5
180.23898	0.3
193.10693	0.3
219.12363	0.3
226.56819	0.3
252.08253	1.0
256.96442	0.3
274.97440	3.1
281.13116	0.5
281.15915	2.0
292.98563	1.4
298.08997	0.9
298.15546	0.8
298.23184	0.7
299.10364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03954	1.0
53.53043	0.8
55.05509	14.5
55.57911	0.9
56.05034	8.1
56.96564	4.5
57.07071	8.5
58.02949	3.5
58.06598	1.5
58.07407	1.7
60.04518	6.3
65.03942	2.4
67.05498	24.5
68.05028	3.0
69.07061	23.4
70.02358	2.9
70.07397	6.3
71.08621	2.6
71.88780	0.8
72.04527	1.6
74.06065	1.4
79.05478	15.2
80.05015	3.3
81.03392	1.3
81.07052	19.4
82.06571	11.0
83.07373	0.9
83.08608	6.5
84.08148	2.2
86.06075	1.6
91.05475	8.4
93.07030	9.2
94.06573	3.8
95.04939	2.3
95.08605	17.6
96.08140	1.7
97.06544	1.4
97.10171	3.1
98.06052	2.2
98.22742	1.3
98.97575	23.5
100.07586	2.3
105.07029	4.1
107.08574	5.4
108.08086	0.9
109.10123	5.2
111.11730	1.1
112.07631	1.5
116.07882	2.1
116.98607	14.7
119.08568	3.9
121.10139	3.6
122.09661	1.3
123.11695	2.2
132.01030	1.5
133.10115	2.8
134.99649	5.9
135.11673	2.2
136.06194	2.8
140.00230	1.3
144.01088	1.4
185.09718	0.9
190.95419	1.6
200.07318	2.5
201.07654	4.6
232.96414	1.6
233.63667	1.0
245.22591	1.3
250.25194	8.8
253.62685	1.0
256.96423	2.0
260.23633	1.0
262.25284	4.3
273.15469	1.0
274.97437	19.9
280.26321	100.0
281.26685	4.6
292.98468	9.7
293.98792	1.5
298.10269	2.8
298.15253	2.0
298.18607	1.1
298.27380	2.8
298.31046	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	298.2742
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
50.44838	0.8
55.05509	17.4
56.05029	7.1
56.96556	3.6
57.07069	4.8
58.02957	2.1
58.06594	3.1
60.04524	6.2
65.03936	2.0
65.24810	0.8
67.04263	0.8
67.05501	23.2
68.05019	2.9
68.05833	1.0
69.07071	16.0
71.08624	2.1
71.43269	1.0
72.04504	1.8
79.05492	13.0
80.05013	2.5
81.03335	0.9
81.07049	17.7
82.06580	9.7
83.04993	1.3
83.08613	9.1
84.08137	2.3
84.62296	0.9
85.10191	1.3
86.06068	3.1
91.05482	8.5
93.07034	9.0
94.06567	3.6
94.13249	0.7
95.04945	3.3
95.07323	1.3
95.08607	15.3
96.08122	1.5
97.10160	2.9
98.06058	1.9
98.97581	18.2
100.07613	3.2
105.07023	3.9
107.08596	5.0
108.02081	1.7
108.08144	1.2
109.10154	5.9
111.11726	1.5
112.07574	1.5
113.00007	1.9
114.09159	1.1
116.98612	13.7
119.08569	4.1
121.10139	4.7
122.09702	1.1
123.11704	2.1
133.10097	4.5
134.99644	8.5
135.04234	0.9
135.11694	3.4
136.06151	1.9
138.01878	0.9
153.00720	1.7
172.94345	1.4
184.13899	0.9
190.95480	1.0
199.61655	0.8
210.06700	1.6
238.06198	11.0
245.22681	1.0
250.25272	8.4
256.96216	1.0
262.25317	4.6
263.23602	1.2
266.05704	9.4
274.97534	16.7
280.26337	100.0
281.26672	3.2
284.06790	3.3
292.98535	12.3
297.99127	2.4
298.07153	0.9
298.15228	1.2
298.18704	1.8
298.27454	3.8
298.31036	12.0
299.05951	1.4
299.09116	18.9
299.12415	0.7
299.20062	1.1
316.00250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49413	0.3
55.01876	0.4
55.05517	0.2
65.00301	1.4
65.03936	0.4
67.05503	0.4
68.99786	44.3
69.03413	0.3
70.00111	0.5
72.08156	0.4
77.03933	1.6
79.01850	1.5
79.05504	0.7
81.03391	1.6
81.07045	0.5
83.04951	0.3
87.00835	1.2
87.02383	0.3
89.03900	2.2
91.05470	1.8
92.99760	20.4
93.07038	0.4
94.00103	0.4
95.04965	0.7
95.08588	0.4
95.98840	0.3
103.05474	0.5
105.03399	0.9
105.07020	0.4
107.04949	0.3
107.08624	0.3
109.02896	0.7
111.04440	1.5
111.56398	0.3
113.03897	1.0
115.05411	0.3
117.03370	2.9
119.04935	0.9
119.08569	0.9
127.03934	0.6
128.38239	0.3
129.03346	0.7
131.04898	1.7
135.00784	2.7
135.04405	8.1
136.03877	0.3
136.06151	0.4
136.98706	1.1
137.02341	34.7
137.03429	3.1
138.02692	0.7
141.03317	0.7
145.02838	3.7
147.04395	10.8
157.02875	0.5
159.04430	1.5
161.02327	32.2
162.02626	1.0
164.98233	0.8
169.02827	2.3
173.02335	23.9
174.02635	0.8
175.03925	1.0
179.03392	7.5
182.99243	4.7
185.02359	0.8
187.00233	0.3
187.03882	4.9
191.03391	3.9
191.11047	0.3
197.02338	3.2
201.00243	0.9
201.01831	7.6
202.02206	0.3
203.03374	6.2
204.03781	0.4
215.03371	10.3
217.01309	0.7
219.02890	4.0
225.01801	0.8
229.01256	2.2
243.00584	0.5
243.02861	5.2
247.02357	11.9
248.02699	0.4
253.01253	0.4
259.02368	1.2
261.03818	0.3
262.78363	0.3
271.02350	100.0
272.02679	3.5
295.41403	0.3
298.15771	0.3
299.01831	4.5
299.05457	0.7
299.09647	0.8
317.02890	27.8
318.03204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0534
Annotation	3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
Peak:m/z	Relative Intensity
53.03945	0.9
54.01084	0.2
55.01858	0.4
57.03421	0.5
65.03923	0.5
67.01851	1.4
68.99773	2.6
69.03422	12.1
70.03761	0.2
71.42331	0.2
72.03020	0.1
79.01836	0.4
81.03405	1.2
82.00536	0.2
82.03732	0.1
83.01315	0.6
85.02888	1.2
91.05467	5.1
92.99756	0.2
95.01315	0.8
97.02872	1.5
103.05454	0.3
107.01295	2.3
109.02900	0.2
110.00014	0.4
111.04444	0.2
111.51156	0.1
115.05412	0.3
118.04194	0.2
119.04937	3.3
121.02853	9.9
123.00771	1.6
124.41000	0.1
125.02338	15.7
126.02680	0.3
128.58371	0.1
131.04945	0.3
135.00752	0.3
137.02293	0.5
139.00258	0.5
141.01868	0.2
141.03156	0.1
141.07001	0.4
141.47922	0.1
145.02823	1.0
149.02289	0.3
151.00270	0.5
153.01807	63.0
154.02165	1.2
155.04910	0.4
163.03867	0.3
167.03316	0.3
168.03783	0.1
169.01308	0.6
169.06490	0.4
171.02863	10.2
172.03175	0.3
172.05113	0.1
178.99742	1.4
181.01291	11.2
181.26508	0.2
182.01642	0.3
182.03574	0.2
183.04501	0.2
186.03041	0.2
187.03868	0.2
187.07587	0.3
195.02870	0.9
196.03201	0.6
197.00793	1.3
197.05983	0.8
199.02354	26.1
200.02699	0.5
200.04672	0.7
201.05472	0.1
211.03874	0.3
215.06949	0.7
225.05472	0.7
225.77824	0.1
228.04121	0.6
229.04927	1.1
239.03534	0.1
241.04907	0.6
243.06503	2.7
253.05125	0.6
254.08864	0.1
256.03510	0.3
266.38229	0.1
269.04410	1.1
270.05179	0.2
271.02722	0.8
271.05972	20.8
272.06366	0.8
282.08319	0.5
284.03082	0.8
284.06412	0.3
297.04074	0.4
299.05460	100.0
300.05814	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	299.0534
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03945	0.9
54.01084	0.2
55.01858	0.4
57.03421	0.5
65.03923	0.5
67.01851	1.4
68.99773	2.6
69.03422	12.1
70.03761	0.2
71.42331	0.2
72.03020	0.1
79.01836	0.4
81.03405	1.2
82.00536	0.2
82.03732	0.1
83.01315	0.6
85.02888	1.2
91.05467	5.1
92.99756	0.2
95.01315	0.8
97.02872	1.5
103.05454	0.3
107.01295	2.3
109.02900	0.2
110.00014	0.4
111.04444	0.2
111.51156	0.1
115.05412	0.3
118.04194	0.2
119.04937	3.3
121.02853	9.9
123.00771	1.6
124.41000	0.1
125.02338	15.7
126.02680	0.3
128.58371	0.1
131.04945	0.3
135.00752	0.3
137.02293	0.5
139.00258	0.5
141.01868	0.2
141.03156	0.1
141.07001	0.4
141.47922	0.1
145.02823	1.0
149.02289	0.3
151.00270	0.5
153.01807	63.0
154.02165	1.2
155.04910	0.4
163.03867	0.3
167.03316	0.3
168.03783	0.1
169.01308	0.6
169.06490	0.4
171.02863	10.2
172.03175	0.3
172.05113	0.1
178.99742	1.4
181.01291	11.2
181.26508	0.2
182.01642	0.3
182.03574	0.2
183.04501	0.2
186.03041	0.2
187.03868	0.2
187.07587	0.3
195.02870	0.9
196.03201	0.6
197.00793	1.3
197.05983	0.8
199.02354	26.1
200.02699	0.5
200.04672	0.7
201.05472	0.1
211.03874	0.3
215.06949	0.7
225.05472	0.7
225.77824	0.1
228.04121	0.6
229.04927	1.1
239.03534	0.1
241.04907	0.6
243.06503	2.7
253.05125	0.6
254.08864	0.1
256.03510	0.3
266.38229	0.1
269.04410	1.1
270.05179	0.2
271.02722	0.8
271.05972	20.8
272.06366	0.8
282.08319	0.5
284.03082	0.8
284.06412	0.3
297.04074	0.4
299.05460	100.0
300.05814	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	299.0548
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.00283	0.3
53.03946	0.4
57.03431	0.4
63.79232	0.3
65.03944	0.3
68.99780	2.6
69.03426	11.4
69.33068	0.3
70.05878	0.8
73.71785	0.3
83.01321	0.7
85.02904	0.9
91.05479	5.0
92.99759	0.3
94.74596	0.3
95.01337	0.7
105.07023	0.6
107.01331	0.4
108.02150	0.4
119.04948	3.0
121.02867	3.9
123.00807	1.6
125.02348	14.0
126.02654	0.5
135.04408	0.4
136.01576	0.5
137.64006	0.3
139.00293	1.7
141.06953	0.4
151.00189	0.8
153.01817	57.0
154.02153	1.0
169.01314	0.7
169.06400	0.5
171.02887	7.4
181.01295	4.7
188.79666	0.3
199.02365	22.5
200.02673	0.5
200.04539	0.6
202.58945	0.4
207.07481	0.3
215.07014	0.5
228.04152	0.4
241.04959	0.6
243.06470	0.5
253.05003	0.8
254.05704	0.6
256.03537	0.3
257.04291	0.4
269.04462	1.0
271.05981	16.6
272.06372	0.7
282.05362	0.4
283.05872	0.4
284.03098	0.7
297.03775	0.4
299.05487	100.0
300.05975	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	299.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50129	1.6
61.53075	1.2
69.07043	2.0
69.81434	1.6
70.64739	1.9
70.65090	1.7
78.47490	1.4
81.03409	3.1
81.07086	1.4
84.08138	2.0
84.75395	1.4
85.48376	1.3
93.07011	1.5
98.97564	2.6
116.98595	3.0
137.02345	2.4
139.30069	1.6
157.07642	3.4
281.05649	100.0
299.06696	30.1
299.10358	3.3
299.16263	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0673
Annotation	SB 212021
Peak:m/z	Relative Intensity
69.03424	0.7
69.07072	1.4
70.06597	0.9
81.03442	2.2
81.07102	0.6
98.97598	1.5
137.02332	1.6
149.06015	0.8
191.09013	0.6
224.03490	1.1
233.05234	0.7
281.05649	100.0
282.05896	2.6
293.98694	0.9
299.06677	31.8
299.10184	1.5
299.16071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0673
Annotation	SB 212021
Peak:m/z	Relative Intensity
70.06580	9.2
70.54356	2.6
81.03415	1.6
83.06104	6.0
84.04477	2.0
84.08157	1.9
86.09705	3.1
95.10630	1.5
98.97572	3.5
113.84312	1.6
116.07096	1.8
116.98650	2.4
137.02281	4.4
138.05394	2.4
165.03174	1.5
176.40355	1.6
200.05725	1.7
224.03433	4.1
232.96448	1.5
233.05302	2.0
242.68217	1.6
249.46437	1.6
275.97751	2.5
281.05640	69.0
286.29465	1.7
289.75751	1.6
293.98862	2.2
299.06693	100.0
299.09964	4.8
299.16080	2.3
300.07040	4.7
319.05054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0905
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.76123	0.2
56.02728	0.2
68.99750	1.0
69.75751	0.3
69.76129	0.4
75.42303	0.1
81.03445	0.2
81.04759	0.2
103.05461	2.1
105.03391	1.9
131.04889	0.2
139.00249	11.8
140.00621	0.5
153.01814	0.4
157.01337	0.4
166.99783	0.5
171.04404	0.6
185.00801	0.6
195.02820	0.4
196.03128	0.3
203.22093	0.2
213.05495	0.2
241.04939	39.9
242.05266	1.9
269.04413	100.0
270.04761	4.7
270.07642	0.3
271.02359	0.4
272.44095	0.2
284.06766	16.0
285.07095	0.7
299.09106	94.6
300.06494	0.3
300.09451	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0912
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.33213	0.2
55.01866	0.4
61.87248	0.3
65.20596	0.3
68.99142	0.3
68.99789	0.9
69.18571	1.3
69.18970	0.6
76.22832	0.3
81.07015	0.4
81.20198	0.3
89.17562	0.2
91.05460	0.3
98.97563	0.4
103.05449	0.5
105.03378	1.4
108.02095	0.5
115.05428	0.4
116.98592	0.4
124.01542	1.1
125.02316	0.5
131.04958	0.3
136.01573	2.3
139.00191	0.5
151.00223	1.4
151.04059	0.3
152.01054	2.1
153.01811	1.4
154.02562	0.5
162.51744	0.3
165.01759	0.4
166.99786	0.5
170.02130	0.5
179.03394	1.0
182.02081	0.8
194.99281	0.7
195.02870	0.4
198.01610	1.4
199.02370	0.3
207.02855	0.6
210.06763	0.5
213.00316	1.9
226.06259	0.8
237.05612	0.3
238.06241	7.7
239.06963	0.5
241.04941	1.8
253.04964	0.4
254.05711	2.9
255.06503	37.8
256.06799	1.6
257.04257	0.5
265.04849	0.8
266.05713	2.6
267.06479	8.0
268.06943	0.4
269.04352	2.2
270.05209	3.4
271.02585	0.6
271.05869	1.0
281.04449	1.3
283.05988	36.5
284.06747	29.5
284.10092	0.3
285.07089	1.2
298.18704	0.6
299.09100	100.0
300.06149	0.6
300.09445	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	299.0913
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.14603	0.5
53.03924	0.6
55.01863	0.8
62.76595	0.5
67.01852	2.0
68.99427	0.9
68.99786	14.8
69.81137	2.0
79.05483	1.4
81.03387	0.7
85.02929	0.9
91.05468	8.7
92.99744	1.1
95.01314	2.0
95.04945	1.1
97.02911	0.9
103.05450	2.1
105.03387	0.7
105.07028	10.5
107.08572	0.7
108.02103	0.8
111.00793	2.1
111.04401	0.5
112.01560	1.1
113.02351	1.7
115.05473	0.7
118.04134	2.2
119.04919	2.9
121.02825	2.3
123.00766	3.0
125.02309	0.8
125.36440	0.6
131.04903	4.6
133.06480	3.3
133.75941	0.5
135.04398	3.4
136.01529	1.8
137.02303	2.4
138.03119	4.0
139.00252	21.9
141.01848	0.6
145.02835	1.5
147.04466	0.5
151.00250	1.5
152.00995	0.7
153.01826	4.0
153.03104	0.7
154.02577	1.5
155.03406	0.7
155.04895	0.7
157.01332	1.0
157.06453	0.7
165.01888	0.9
166.02608	2.4
166.99689	0.9
167.03380	1.3
168.00545	1.4
169.01311	66.4
178.99742	1.3
181.01311	10.1
181.04926	8.1
184.03644	2.1
184.05153	0.6
185.00766	2.1
186.01569	1.7
195.02852	1.3
197.00797	0.6
201.05440	1.3
213.00298	0.7
220.19286	0.6
225.05461	0.9
226.06248	0.9
238.06001	0.6
239.06984	1.1
241.04929	4.8
253.04878	1.8
254.05701	4.3
255.06500	21.9
256.03772	0.8
256.07196	2.9
267.06445	2.0
269.04330	2.5
271.02487	1.6
271.05981	22.6
281.04196	0.6
282.05127	1.9
282.07947	0.7
283.05972	8.5
284.06769	26.1
285.07056	1.4
297.03995	3.3
299.05466	86.4
299.09100	100.0
299.20004	1.4
300.06235	32.4
300.09402	3.7
315.04828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	Kuhlmannin
Peak:m/z	Relative Intensity
55.05508	1.3
57.07075	2.0
57.98914	0.3
60.04504	0.6
67.05503	1.3
69.07068	1.7
69.39108	1.3
71.08640	1.4
79.05482	0.5
80.02635	0.3
81.07053	2.9
82.07365	0.3
83.08618	1.5
85.10175	0.4
91.05473	0.5
93.07038	0.6
95.08582	2.0
96.08955	0.3
97.10143	0.9
98.97577	0.4
103.05434	0.8
105.03373	1.7
105.07023	0.6
107.08596	0.4
108.02092	11.9
109.10107	0.6
109.89772	0.3
111.11697	0.4
119.08604	1.2
121.10114	0.7
123.11671	0.4
131.58089	0.3
133.10072	0.5
136.01550	5.5
137.09491	0.3
137.13257	0.3
141.12773	0.4
152.01050	0.8
153.06964	2.4
154.02606	4.5
154.07767	2.0
155.14299	0.4
165.06891	0.3
170.02090	0.3
181.06493	2.4
182.07256	0.6
192.05725	0.8
209.05997	0.4
210.06740	11.3
236.04710	0.5
238.06227	49.0
239.06540	2.0
241.04932	0.7
254.05643	1.3
255.06537	2.2
261.96982	0.3
263.23746	0.6
265.04962	0.6
266.05731	44.1
267.06055	1.9
268.26337	0.4
269.04495	0.7
275.97897	0.3
280.26401	1.3
281.26733	0.6
283.06018	2.3
284.06781	14.4
285.07199	0.6
298.27426	0.3
298.30841	0.3
299.09119	100.0
299.30951	0.4
300.09454	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	299.0912
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.70412	0.2
52.03852	0.2
55.01857	0.2
58.42123	0.2
62.11905	0.2
65.03925	0.3
66.94135	0.2
68.99794	0.6
69.03426	0.4
70.06721	0.3
70.07112	0.4
70.11852	0.2
79.01835	0.2
80.02622	0.2
81.03411	0.3
81.07055	0.2
83.01334	0.5
91.05473	6.9
95.01351	0.3
96.02079	0.2
97.02887	0.4
98.23402	0.3
107.01266	0.2
108.02100	1.2
108.88718	0.2
109.02856	0.2
110.03646	0.6
111.04407	0.2
118.04163	1.6
119.04932	2.9
121.02885	1.3
121.03616	0.2
123.00807	0.3
124.01573	0.3
125.02330	0.7
131.04910	0.2
136.01547	2.1
137.02316	2.8
138.03096	3.8
139.00235	0.3
141.06982	0.4
145.02861	0.7
149.02249	0.3
151.00258	0.9
152.01019	0.8
153.01810	3.5
154.02608	1.1
155.03375	0.8
163.03925	0.2
165.01817	0.4
166.02609	3.4
167.03348	0.6
167.30743	0.2
169.06508	0.5
170.02133	0.3
171.02873	0.2
178.99722	0.6
181.01312	5.8
181.04933	7.6
181.06274	0.3
182.01918	0.3
182.05222	0.3
184.03642	1.4
185.05960	0.2
195.02797	0.3
197.00766	0.4
197.05942	0.5
198.01689	0.4
199.02417	0.3
199.07570	0.3
213.05457	0.4
225.05379	0.2
226.06239	0.5
227.06973	0.4
237.05412	0.2
239.06982	0.2
241.04924	3.8
242.05528	0.3
243.06610	0.2
253.04976	0.8
254.05716	4.7
255.06500	17.8
256.07144	2.8
266.05713	0.3
267.06555	1.3
269.04364	1.6
270.05173	0.2
271.06009	4.9
281.04407	0.5
282.05164	1.0
283.05969	6.8
284.06757	27.4
285.06955	0.9
286.04660	0.7
288.36279	0.2
297.03888	3.0
298.04556	0.2
299.05505	40.8
299.09109	100.0
300.06180	14.0
300.09479	4.1
315.04904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	3',7-Dimethoxy-3-hydroxyflavone
Peak:m/z	Relative Intensity
50.14223	0.2
53.26318	0.2
55.05485	0.2
60.04516	0.2
69.18644	0.4
69.19067	0.9
81.07005	0.2
91.05434	0.3
95.08542	0.3
99.09238	0.2
105.06973	0.3
119.08532	0.6
121.53732	0.2
124.01556	1.4
129.10950	0.2
133.06471	1.5
133.10051	0.3
134.07262	0.3
135.04341	0.3
145.10062	0.2
147.11613	0.2
159.04308	0.4
159.11566	0.2
167.03375	2.7
169.06351	0.2
174.06764	0.2
180.57117	0.2
183.11761	0.2
185.04449	0.3
197.05957	0.8
201.05441	0.6
211.07527	0.6
213.05392	0.4
227.07072	0.6
238.06436	0.2
239.06912	0.2
241.04912	0.5
253.19437	0.3
256.07275	39.8
257.07578	1.4
284.06760	18.5
285.07077	0.5
298.30896	0.3
299.09100	100.0
299.19986	1.2
300.06265	0.3
300.09457	3.9
319.28955	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	299.0914
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
60.00480	0.2
68.99812	0.9
70.07587	0.6
70.49014	0.2
86.27007	0.2
91.05508	0.4
93.07004	0.2
95.08588	0.4
98.97568	0.3
103.05464	2.1
105.03420	1.5
105.04025	0.3
105.07015	0.3
119.04872	0.2
119.08596	1.4
121.02840	0.3
125.02358	0.3
131.08597	0.2
133.10083	0.4
139.00246	10.4
145.10138	0.4
153.01816	1.0
157.01324	0.6
166.99716	0.3
171.02913	0.4
171.04337	0.3
183.11749	0.2
185.00761	0.6
189.05498	0.2
198.59602	0.2
199.02431	0.4
200.18547	0.3
213.05487	0.4
229.08566	0.2
239.07086	0.2
241.04941	41.3
242.05299	1.4
255.06499	0.6
269.04419	100.0
270.04755	4.1
271.06033	0.3
271.13287	0.2
281.15494	0.3
281.18845	0.2
283.05988	0.5
284.06760	15.8
285.07217	0.5
298.30865	0.3
299.09106	98.0
300.09460	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	299.091
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.90208	0.2
56.16171	0.2
58.50340	0.2
64.21075	0.2
68.99770	0.2
69.03428	0.3
69.15163	1.4
91.05476	0.3
91.22918	0.2
95.04922	0.2
96.02071	0.3
103.05476	0.3
104.06243	0.3
105.03393	1.2
108.02122	0.3
118.46478	0.2
123.00854	0.3
124.01615	1.2
125.02356	0.5
136.01540	2.7
139.00208	0.5
151.00279	1.1
152.01021	1.7
152.06142	0.2
153.01811	2.6
164.01051	0.3
165.01820	0.2
170.02065	0.4
177.53101	0.2
179.03383	1.0
180.00624	0.2
181.01263	0.4
181.06508	0.2
182.02110	0.8
198.01601	0.9
199.02327	0.8
207.02861	0.6
210.06732	0.4
225.05431	0.3
226.06255	1.1
227.07042	0.2
237.05423	0.4
238.06215	6.4
239.06943	0.8
241.04976	1.2
253.04956	0.5
254.05739	2.5
255.06506	30.8
256.07013	1.3
257.28470	0.2
259.92227	0.2
265.04901	0.6
266.05676	2.6
267.06506	5.6
268.06863	0.4
269.04507	0.9
270.05182	2.0
271.05960	0.6
281.04407	1.5
282.04514	0.3
283.05984	32.5
284.06754	27.1
284.09167	0.5
285.06961	1.0
292.13293	0.2
299.09100	100.0
300.09454	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.5
65.10988	4.5
67.05470	4.7
69.03420	10.3
78.41489	4.5
79.05473	9.4
81.07053	8.9
85.57090	4.5
90.48431	4.5
91.05475	13.6
95.08591	6.3
97.06525	7.3
103.20835	4.5
105.07030	14.4
111.04321	4.5
114.74375	4.9
119.04913	9.4
119.08590	20.2
121.02877	9.6
125.02371	8.8
131.08603	6.0
133.06491	22.8
151.07527	5.1
153.01816	48.0
155.08565	4.4
161.05988	31.7
171.02888	6.3
173.37799	5.4
193.08478	29.7
199.02377	11.2
229.08626	4.9
241.05098	6.1
250.10721	23.9
269.04483	16.4
271.06085	27.4
299.05472	100.0
299.09100	22.1
299.12402	6.1
299.16312	11.8
299.19949	22.7
300.05905	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	299.1639
Annotation	CHEBI:70692
Peak:m/z	Relative Intensity
53.03941	0.5
55.01876	0.4
55.05507	4.8
57.07061	1.5
59.92963	0.4
65.03941	0.8
67.05510	5.2
69.03426	1.0
69.07061	5.0
69.81906	0.7
69.82278	0.8
71.04996	0.6
77.03925	0.6
79.05486	5.3
81.03384	0.5
81.07051	10.8
82.07332	0.4
83.04967	1.1
83.08607	1.8
85.02909	0.4
85.06526	0.5
91.05469	11.7
93.07041	7.4
95.04961	1.9
95.08595	11.5
97.02932	0.4
97.06527	0.7
103.05459	1.3
105.07022	16.9
107.04960	1.0
107.08585	6.5
109.06507	1.2
109.10140	3.0
111.04434	2.3
111.08060	0.4
115.05463	1.1
116.06254	0.4
117.07007	4.8
119.08568	100.0
120.08925	1.6
121.02778	0.4
121.06487	1.2
121.10130	4.0
123.08035	1.4
123.11722	0.7
125.05963	0.8
128.06190	2.2
129.06982	5.3
130.07767	1.4
131.08556	8.9
133.06496	0.7
133.10120	19.4
135.08022	0.8
135.11665	1.2
137.02306	0.5
137.05945	0.8
139.03955	0.4
139.07516	0.9
141.06963	2.1
142.07773	5.7
143.08554	10.9
144.09274	1.7
145.10109	19.9
147.08031	1.1
147.11676	5.3
149.05927	0.7
149.13078	0.4
151.07581	0.8
153.07019	1.1
154.07794	1.2
155.08542	6.8
156.09341	4.8
157.10109	17.3
158.07277	0.4
158.10840	1.8
159.08069	0.9
159.11676	21.7
160.12282	0.8
161.09619	1.3
161.13235	1.7
163.07578	0.6
165.06935	0.8
166.07713	0.7
167.08565	1.8
167.10692	0.6
168.09358	2.4
169.06311	0.5
169.10103	16.8
170.10896	3.5
171.08141	0.9
171.11670	26.9
172.12390	2.7
173.09593	1.5
173.13248	8.8
174.13887	0.9
175.07584	0.5
175.11067	0.7
175.14827	1.7
177.09169	0.6
178.07837	0.5
179.07198	0.4
179.08478	2.6
179.10718	0.6
180.09348	0.9
181.10057	3.1
182.10887	4.6
183.08070	1.6
183.11673	19.5
184.12350	1.4
185.09598	1.8
185.13228	9.1
186.13773	0.5
187.07449	0.7
187.11102	1.8
187.14796	12.6
188.15536	2.0
189.09145	1.0
189.16354	0.7
191.08589	0.5
191.10696	1.3
192.09361	0.7
193.10112	1.8
193.12163	0.8
194.10887	0.5
195.07994	0.5
195.11670	4.7
196.08817	0.5
196.12375	2.3
197.09564	3.6
197.13234	17.3
198.10255	0.6
198.13754	0.8
199.11192	1.5
199.14778	4.0
201.09126	2.9
201.12860	0.7
201.16400	2.5
203.10664	1.6
205.10086	1.3
205.12199	0.7
206.10989	1.5
207.11700	2.4
208.12418	0.6
209.09688	0.6
209.13248	3.0
210.10486	0.7
210.13994	1.6
211.11252	4.5
211.14783	11.7
212.15334	0.8
213.12692	0.8
213.16368	0.6
215.10689	4.0
215.14131	0.4
217.12170	0.8
220.12466	1.8
221.13206	2.2
222.13849	0.6
223.11134	0.7
223.14845	0.8
224.15672	0.8
225.09131	0.6
225.12878	4.0
225.16342	15.0
226.16798	0.5
227.14319	0.7
227.17914	8.4
229.12180	3.2
231.10193	0.6
233.13315	0.9
235.14816	4.5
237.09155	0.5
237.12660	0.8
237.16360	2.8
238.13486	1.4
239.10710	0.5
239.14262	3.7
239.17906	7.1
243.10159	0.7
243.13713	3.0
243.17468	0.6
251.14380	0.6
253.15878	14.9
253.19501	7.2
254.16112	0.7
255.17398	0.8
255.20996	0.5
257.15335	2.6
257.18967	0.5
263.14340	1.3
263.17978	2.3
271.16898	16.9
271.19873	0.7
272.17172	0.6
281.15359	14.9
281.18970	9.9
282.15799	0.8
299.16397	29.0
299.20047	33.7
300.16699	1.6
300.20377	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05513	2.8
57.03415	0.6
57.07066	0.6
67.05507	3.1
69.03423	2.1
69.07063	4.4
69.12005	3.8
79.05464	2.9
79.59497	0.4
80.75298	0.5
81.03405	0.6
81.07057	6.8
83.04966	1.1
83.08625	1.1
89.89799	0.6
91.05475	8.1
93.07033	3.3
95.04959	1.3
95.08600	6.0
98.65514	0.5
103.05502	0.7
104.06230	0.6
105.07027	7.0
107.08587	3.5
109.10178	2.8
111.04448	2.1
113.06004	1.1
115.05402	0.8
117.07027	3.1
119.08575	100.0
120.08942	1.5
121.06437	0.5
121.10146	1.9
122.79301	0.5
123.08060	1.5
126.49844	0.5
128.06252	0.6
129.07047	1.5
131.08549	2.6
133.06474	0.7
133.10126	11.6
135.11696	0.8
139.07559	0.7
141.07011	1.2
142.07793	2.4
143.08557	4.0
144.09309	0.8
145.10114	10.2
147.08107	0.6
147.11699	3.7
149.09711	0.7
153.07083	0.5
155.08560	2.5
156.09332	2.7
157.10092	8.4
158.10864	0.6
159.08051	0.6
159.11682	15.6
161.13272	1.1
165.06931	0.7
167.08603	1.0
168.09386	1.6
169.10133	9.4
170.10930	2.0
171.11690	7.2
172.12450	0.7
173.09602	1.1
173.13248	4.3
175.11188	1.2
179.08566	0.8
180.03001	0.7
181.10138	1.8
182.10866	2.4
183.11690	13.7
184.12379	0.9
185.13261	6.6
187.11192	1.0
187.14848	3.3
193.10052	0.7
195.11661	2.8
196.12413	1.4
197.09595	0.8
197.13254	13.0
199.11328	0.7
199.14798	3.6
201.09244	0.6
201.16338	0.7
207.11671	1.4
208.12424	0.8
209.13312	2.1
210.14087	1.3
211.11255	1.9
211.14818	4.6
213.12747	0.9
213.16458	1.8
215.10721	1.4
217.12221	0.8
220.12321	0.7
221.13153	1.2
223.14883	1.0
225.12735	2.0
225.16411	1.5
227.17897	0.6
229.12238	2.5
233.13208	0.7
235.14757	0.9
237.16409	2.5
239.14250	1.9
239.17935	6.7
243.13812	2.6
251.17761	0.6
253.15771	0.8
253.16484	0.7
253.19521	12.6
257.15424	1.7
257.18997	0.8
263.17999	3.6
266.16846	0.5
267.16013	1.2
271.16879	1.2
271.20557	1.1
281.18994	10.4
282.19275	1.1
299.05801	1.1
299.08951	0.8
299.16562	1.2
299.20035	31.6
300.20465	1.7
304.84424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05513	2.2
55.70488	0.3
57.07071	0.5
65.03932	0.5
67.05499	3.7
69.03383	0.3
69.07059	2.6
69.34464	1.4
69.44961	0.3
71.04987	0.3
79.05483	2.0
81.07055	4.3
83.04963	0.5
83.08595	0.6
83.49232	0.4
85.06547	0.4
91.05476	5.8
93.07040	3.5
95.04961	0.7
95.08605	6.6
98.22765	0.6
103.05439	0.7
103.38880	0.3
104.06242	0.4
105.07028	6.9
107.08600	3.0
109.06500	0.6
109.10159	2.5
111.04441	1.8
115.05422	0.6
117.07011	3.3
119.08572	100.0
120.08916	2.3
121.06532	0.3
121.10126	1.8
123.08084	0.8
123.11678	0.6
125.06023	0.3
128.06210	0.5
129.06989	1.0
130.07785	0.6
131.08562	2.5
133.06561	0.3
133.10118	11.4
135.08029	0.3
135.11696	0.9
137.09546	0.4
139.07478	0.5
141.06952	0.7
142.07768	1.2
143.08562	2.6
144.09334	1.2
145.10121	9.7
147.08061	0.4
147.11679	3.3
149.09691	0.5
153.07079	0.5
153.70444	0.3
154.07755	0.4
155.08545	1.7
156.09323	1.9
157.10123	6.0
158.10864	0.6
159.08061	0.4
159.11687	14.0
160.12207	0.5
161.09671	0.6
161.13255	1.2
167.08533	0.6
167.10674	0.5
168.09349	1.6
169.10118	5.6
170.10817	1.1
171.11665	5.1
173.09596	0.3
173.13260	3.4
175.11267	0.4
179.08545	0.6
179.10681	0.4
181.10059	0.9
182.10890	1.7
183.08130	0.4
183.11681	7.0
183.13268	0.4
184.12346	0.8
185.09615	0.6
185.13260	4.0
187.11223	0.5
187.14772	1.5
188.15533	0.5
191.10660	0.7
193.10083	0.6
193.12231	0.8
195.11729	1.3
196.12479	1.1
197.09581	0.5
197.13232	8.0
198.13826	0.5
199.11218	0.6
199.14777	2.8
200.15405	0.3
201.16382	1.6
203.10657	0.4
205.12262	0.8
206.10904	0.3
207.11723	1.2
208.12492	0.4
209.13283	1.0
210.14001	0.4
211.11186	1.7
211.14796	2.8
213.12866	0.4
213.16364	0.8
215.10674	0.9
217.12184	0.7
221.13251	1.5
223.14815	0.4
224.15628	0.4
225.12675	2.0
225.16309	0.8
229.12262	1.5
237.16322	1.9
238.17065	0.6
239.14311	2.2
239.17918	5.2
243.13754	1.9
251.14326	0.6
253.19504	7.4
257.15274	1.5
257.19022	1.1
263.17950	2.8
266.16879	0.3
281.18988	8.2
282.19385	0.6
299.20032	24.9
300.20355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05503	2.8
57.07063	1.1
67.05505	4.0
68.26545	0.4
69.07056	3.7
69.45421	1.9
72.86015	0.5
73.76629	0.4
79.05486	2.4
81.07052	6.9
83.08609	1.8
85.06507	0.9
91.05475	6.1
93.07019	3.6
95.04915	0.5
95.08593	7.4
97.06480	0.6
97.10216	0.7
105.07013	4.7
107.08582	3.9
109.06501	0.7
109.10126	3.5
111.04395	0.9
115.05408	0.7
116.06249	0.5
117.06989	3.3
119.08569	100.0
120.08894	2.7
121.10118	2.1
123.08045	1.8
123.11703	0.7
127.07538	0.8
128.06192	1.1
129.06964	1.0
131.08530	2.3
133.10107	11.6
135.11734	0.5
139.08830	0.6
141.06956	1.4
141.09195	0.5
142.07767	1.4
143.08549	3.1
144.09317	2.1
145.10117	9.5
147.07970	0.6
147.11708	3.0
153.06969	1.0
155.08549	3.0
156.09354	3.0
157.10117	9.8
159.11681	19.3
160.11984	0.6
161.09543	0.6
161.13188	1.4
167.08533	0.8
168.09306	1.7
169.10115	18.1
170.10823	2.0
171.11662	8.5
172.12198	0.6
173.09671	0.9
173.13254	4.8
175.11247	0.7
179.08536	0.6
180.02954	1.3
181.10121	2.1
182.10895	3.3
183.08102	0.6
183.11678	17.9
184.12357	1.5
185.09673	0.9
185.13234	8.7
186.13919	0.8
187.11176	1.1
187.14813	3.0
189.09120	0.8
193.10168	1.4
193.12230	0.8
195.11652	3.0
196.12460	1.9
197.09624	0.6
197.13243	19.7
198.13750	1.0
199.11142	0.6
199.14757	4.0
201.09152	0.7
201.12721	0.7
201.16389	1.0
203.10657	0.6
207.11661	1.9
208.12334	0.6
209.13240	2.5
210.14012	1.7
211.11232	3.1
211.14796	5.9
212.15178	0.6
213.12737	1.0
213.16292	0.9
215.10744	2.3
217.12181	1.1
221.13269	1.6
222.13788	0.6
223.14833	1.7
224.15495	1.7
225.12712	3.2
225.16292	2.2
229.12207	3.9
233.13223	1.0
235.14734	0.7
237.16328	5.7
238.16933	1.0
239.14162	1.6
239.17941	16.7
240.18341	1.1
243.13864	4.1
253.19484	13.3
254.19865	0.6
257.15302	1.3
257.18964	1.0
263.17889	4.3
266.16507	0.6
271.06210	0.7
271.20648	1.0
281.18958	14.0
282.19315	0.8
299.20029	49.8
300.20377	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	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.01868	1.2
55.05517	3.7
57.07089	1.0
65.03921	0.9
67.05511	5.3
69.03436	1.0
69.07075	4.4
69.22182	0.5
69.34212	2.4
74.65038	0.6
78.08475	0.5
79.05482	4.1
81.07053	10.2
83.08616	1.9
91.05479	10.0
93.07049	5.1
95.04971	1.5
95.08605	10.5
97.06551	0.7
98.23392	1.6
99.04437	1.0
103.05441	0.8
105.07026	13.5
107.08602	5.9
109.06517	1.6
109.10151	2.4
111.04446	2.4
111.08022	0.8
115.05479	1.0
117.07025	5.7
119.08576	100.0
120.08872	1.7
121.06528	1.1
121.10130	2.9
123.08080	1.5
123.11671	1.4
128.06210	1.6
129.06993	4.1
130.07764	0.9
131.08560	7.9
133.10124	15.8
135.11652	1.0
141.06984	2.4
142.07768	3.8
143.08546	8.7
144.09311	1.9
145.10110	18.1
147.07985	0.8
147.11694	5.1
153.07007	1.3
153.08998	0.6
155.08548	4.7
156.09357	4.6
157.10129	12.6
158.10802	1.1
159.08087	1.0
159.11687	19.5
161.09595	0.8
161.13284	2.1
163.07510	0.8
167.08615	1.6
167.10677	0.8
168.09305	2.4
169.10136	14.5
170.10818	2.3
171.11685	24.1
172.12381	1.5
173.09573	0.7
173.13246	7.0
175.14784	0.9
179.08502	1.9
181.10095	2.3
182.10913	3.0
183.11691	13.5
184.12303	1.6
185.09656	1.3
185.13234	5.7
187.11226	1.5
187.14798	9.4
188.15468	1.2
189.09175	1.2
192.09268	0.9
193.10181	2.2
195.11734	4.2
196.12454	2.1
197.09602	2.5
197.13246	15.1
199.11188	1.2
199.14857	3.4
201.09129	1.9
201.12608	0.9
201.16409	2.1
201.58783	0.7
203.10728	0.8
206.10962	1.2
207.11716	1.5
209.13239	2.9
210.10205	0.8
210.14035	1.9
211.11172	3.0
211.14818	10.7
215.10635	3.6
217.12247	1.1
218.69389	0.7
220.12534	1.5
221.13223	2.7
223.11166	1.2
223.14767	1.5
225.12816	2.8
225.16376	10.3
226.16837	0.7
227.17908	6.8
229.12193	2.9
229.15791	0.7
232.84027	0.7
235.14818	3.5
237.16370	2.7
238.13516	1.2
239.14270	1.8
239.17879	4.8
243.10138	0.7
243.13762	1.8
243.17488	0.7
251.10617	0.7
253.15883	11.7
253.19492	7.6
257.15225	3.1
257.19043	1.3
263.14240	0.8
263.17975	2.9
271.16919	12.5
272.17191	1.0
281.15369	12.1
281.18979	8.1
299.16388	21.7
299.20041	34.2
300.16907	1.4
300.20367	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	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03940	0.5
55.01864	0.6
55.05297	0.5
55.05509	6.6
57.07061	1.8
58.48977	0.5
65.03943	0.9
67.05500	9.7
69.03448	0.5
69.07064	6.3
69.93895	1.6
69.94247	0.5
70.07389	0.5
71.04971	1.2
77.03944	0.5
79.05492	7.0
81.07047	18.6
83.04982	0.7
83.08617	2.5
84.09697	0.5
85.06574	0.9
91.04941	0.8
91.05476	12.0
93.06454	0.7
93.07044	11.7
93.39189	0.5
95.04958	2.0
95.08598	27.6
97.06489	0.8
97.10128	0.9
98.97582	0.7
103.05446	0.9
105.04492	0.5
105.07021	20.2
107.04942	0.7
107.08584	13.0
109.06511	2.0
109.10162	6.9
111.04420	3.3
115.05422	1.2
117.07007	5.5
119.08573	36.9
120.08874	0.6
121.06511	0.8
121.10132	7.3
121.52693	0.4
123.08035	1.7
123.11695	1.4
128.06187	1.5
129.07001	4.3
130.07780	0.7
131.08559	11.8
133.06494	0.6
133.10120	39.7
134.10501	1.0
135.04312	0.6
135.08060	0.5
135.11681	3.9
139.07504	0.6
141.06993	2.1
142.07791	4.0
143.08545	8.9
144.09319	1.6
145.08968	1.0
145.10117	19.9
146.10838	1.3
147.08023	1.0
147.11682	15.5
149.13290	0.9
151.07515	0.8
153.06934	0.8
153.44250	0.6
154.07799	1.0
155.08517	6.2
156.09343	5.3
157.10117	15.6
158.10922	2.9
159.08067	1.3
159.11678	23.6
160.12399	1.5
161.09602	1.5
161.13248	8.8
163.07498	1.3
165.09094	2.0
167.08533	1.6
168.09355	1.9
169.10117	9.6
170.10902	4.8
171.11678	15.7
172.12375	1.6
173.09590	1.4
173.13243	14.5
175.11195	0.6
175.14832	1.7
177.09079	1.9
179.10699	1.0
181.10100	3.0
182.10942	2.8
183.11673	15.2
184.12521	2.7
185.09641	1.4
185.13246	13.2
186.13921	2.7
187.07516	0.7
187.11177	2.3
187.14799	6.9
188.15512	1.3
189.08966	0.6
189.12735	1.0
189.16399	2.5
191.10663	1.5
193.10110	1.1
193.12367	0.6
194.10870	0.6
195.11670	4.9
196.12437	1.9
197.09500	1.0
197.13240	17.7
198.13837	0.9
199.11143	2.0
199.14793	11.7
200.15273	0.6
201.09076	1.2
201.12738	0.9
201.16370	7.2
202.17049	1.2
203.10658	1.4
205.12256	3.5
207.11697	1.6
208.12402	0.7
209.13274	3.6
210.13982	1.4
211.11208	1.8
211.14789	7.5
213.12685	1.1
213.16316	3.0
215.10606	1.2
215.14362	0.7
217.12143	2.6
219.13831	0.8
221.13301	1.2
222.14127	0.6
223.14798	1.4
224.15620	1.9
225.12807	3.4
225.16304	3.0
227.18076	0.6
229.12166	5.2
231.13751	1.4
237.16338	4.2
239.14264	1.7
239.17915	10.8
243.13791	6.8
253.15627	0.8
253.16524	0.6
253.19475	13.3
254.19832	0.7
255.21178	2.7
257.15363	2.8
263.18008	1.8
266.16718	0.6
271.16901	1.0
271.20538	1.6
275.97562	0.6
281.16302	0.4
281.18973	10.5
299.20023	100.0
300.20352	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	300.1078
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
53.86319	1.7
55.01869	2.8
57.03430	3.8
58.06598	2.1
58.44938	1.7
61.02918	3.8
63.01154	1.8
65.03942	2.6
66.84847	1.8
68.99797	2.8
69.03439	11.2
69.07055	2.4
70.06588	60.6
71.40341	1.9
72.08154	3.7
79.05505	1.9
81.03420	3.0
84.08144	4.3
85.02901	38.9
86.09699	55.8
89.06021	16.5
91.05433	2.1
92.04996	5.2
97.02881	8.9
98.97606	3.3
99.04475	2.2
103.03948	2.3
108.45959	2.1
109.02856	4.8
116.07082	77.2
116.98619	3.5
117.78674	1.8
118.06531	2.2
119.04947	2.8
120.04457	100.0
124.03891	11.5
127.03916	7.3
132.04442	14.6
133.08646	4.6
134.06012	11.6
134.99585	1.8
137.02303	4.8
138.05481	36.5
141.10193	2.8
145.04903	3.1
147.04384	6.1
150.05482	2.9
155.03426	2.5
157.13362	26.7
162.05496	12.5
162.06668	2.1
170.06003	2.7
179.06987	2.6
180.06564	5.6
183.14899	2.7
185.00856	2.2
185.12831	8.6
198.05490	20.1
200.06967	2.1
203.13925	2.1
219.79024	2.0
228.06503	2.8
247.06142	3.7
253.87196	2.1
255.06502	12.4
257.08060	4.6
264.08621	8.0
283.17542	4.5
286.04736	21.0
300.08722	7.6
300.25287	2.6
301.07108	16.2
301.12424	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06576	0.4
70.06583	100.0
71.06903	0.9
71.33228	0.5
84.04498	1.2
84.08119	0.4
86.06052	0.5
86.09698	1.0
98.97572	0.6
112.07593	87.2
113.07954	1.2
116.07108	0.5
116.98615	0.5
130.08563	0.4
138.72446	0.4
140.07048	52.0
141.07378	0.7
143.08113	1.0
144.06554	1.0
157.09734	5.0
161.09200	1.8
240.13383	1.1
258.14407	0.4
268.12808	1.5
275.22610	0.4
282.05887	1.4
283.06055	0.5
283.12817	0.5
286.04721	0.9
300.06708	0.5
300.15366	1.9
301.06964	1.2
301.12387	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	300.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05499	1.3
58.06589	2.0
59.90951	0.7
67.05498	1.9
68.99785	27.8
69.03420	0.7
69.07050	2.5
70.06586	5.8
70.92882	0.9
70.93241	0.7
72.04517	3.1
72.07749	0.8
72.08147	14.9
79.05483	16.1
84.08129	2.4
85.07679	0.9
89.00266	0.7
93.07037	1.6
95.04962	1.8
95.08609	1.0
97.06524	100.0
98.06857	1.9
98.09653	1.0
100.07610	40.4
107.04932	4.3
110.09681	4.0
111.00805	1.0
113.95833	0.6
116.98604	0.7
123.00781	0.6
124.07586	0.8
124.11215	14.8
128.00761	1.3
130.96863	0.6
131.04901	1.2
135.04405	6.0
137.02347	0.9
138.09160	1.5
139.00243	6.0
147.04364	0.8
150.12796	1.3
152.10683	2.4
161.02353	1.4
166.99771	1.1
168.02797	0.9
168.13797	3.0
171.04417	1.1
179.89439	0.7
184.02504	0.7
185.00809	16.5
187.03862	2.2
187.14412	6.6
196.13330	3.5
199.03893	1.1
202.83638	0.6
203.03424	0.8
204.17055	8.9
216.61035	0.8
224.08885	0.7
229.15587	0.8
245.04369	1.0
255.02684	0.8
256.20175	7.3
258.05316	0.7
272.02679	5.6
273.03992	4.4
273.14630	0.6
282.21808	6.8
283.02176	1.6
286.04648	8.5
300.02289	3.5
300.05917	1.0
300.09567	2.7
300.12656	0.9
300.22815	31.4
300.26181	1.8
301.03421	12.5
301.07040	9.8
301.12421	6.9
301.23190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05499	1.3
58.06589	2.0
59.90951	0.7
67.05498	1.9
68.99785	27.8
69.03420	0.7
69.07050	2.5
70.06586	5.8
70.92882	0.9
70.93241	0.7
72.04517	3.1
72.07749	0.8
72.08147	14.9
79.05483	16.1
84.08129	2.4
85.07679	0.9
89.00266	0.7
93.07037	1.6
95.04962	1.8
95.08609	1.0
97.06524	100.0
98.06857	1.9
98.09653	1.0
100.07610	40.4
107.04932	4.3
110.09681	4.0
111.00805	1.0
113.95833	0.6
116.98604	0.7
123.00781	0.6
124.07586	0.8
124.11215	14.8
128.00761	1.3
130.96863	0.6
131.04901	1.2
135.04405	6.0
137.02347	0.9
138.09160	1.5
139.00243	6.0
147.04364	0.8
150.12796	1.3
152.10683	2.4
161.02353	1.4
166.99771	1.1
168.02797	0.9
168.13797	3.0
171.04417	1.1
179.89439	0.7
184.02504	0.7
185.00809	16.5
187.03862	2.2
187.14412	6.6
196.13330	3.5
199.03893	1.1
202.83638	0.6
203.03424	0.8
204.17055	8.9
216.61035	0.8
224.08885	0.7
229.15587	0.8
245.04369	1.0
255.02684	0.8
256.20175	7.3
258.05316	0.7
272.02679	5.6
273.03992	4.4
273.14630	0.6
282.21808	6.8
283.02176	1.6
286.04648	8.5
300.02289	3.5
300.05917	1.0
300.09567	2.7
300.12656	0.9
300.22815	31.4
300.26181	1.8
301.03421	12.5
301.07040	9.8
301.12421	6.9
301.23190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96310	1.5
55.99659	1.6
57.72104	1.5
58.74353	1.6
62.98257	1.7
69.14648	8.7
76.31408	1.4
81.85414	1.3
97.18049	1.3
98.22742	3.1
112.51053	1.6
120.96657	2.7
136.94022	100.0
138.05496	2.5
141.24478	1.3
159.05054	9.7
177.06116	5.1
179.07074	1.3
202.88545	1.9
218.85971	8.3
218.94427	3.8
219.08287	34.6
220.89676	1.6
236.87038	4.0
281.35754	1.3
301.14087	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0344
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
55.01867	0.4
55.05510	0.7
57.03437	0.4
58.25636	0.3
62.99337	0.3
65.03942	0.5
65.72128	0.3
67.05498	1.2
68.99787	23.8
69.03413	0.7
69.07044	0.4
71.01339	0.9
79.05473	0.8
81.03414	0.7
81.07042	1.1
83.04969	0.7
84.08155	0.4
89.03921	1.1
91.05478	1.6
92.99758	1.5
93.07032	1.3
95.04958	0.4
95.08596	0.8
96.99283	0.5
103.55858	0.4
105.07014	0.7
107.04905	0.4
107.08604	0.9
109.06472	0.5
111.00784	3.4
111.04446	0.4
112.01610	0.5
112.99998	1.4
113.74847	0.4
117.03366	1.4
117.06942	0.4
119.04913	1.8
119.08573	1.0
120.05703	0.9
121.02872	3.9
121.06493	0.4
121.10152	0.8
127.00248	0.3
127.01572	2.7
128.06180	0.4
131.04935	0.8
131.08545	0.5
132.05673	0.4
133.06503	0.4
133.10126	0.4
135.04410	20.6
135.11699	0.5
136.04709	0.4
137.02342	11.4
137.03432	0.8
137.05946	0.6
139.00255	49.3
140.00821	0.7
141.06984	0.5
145.02831	0.3
145.03935	0.4
145.06496	0.4
145.10112	1.0
147.04408	2.7
153.06950	0.8
157.01321	4.6
160.05174	1.3
161.05952	0.5
163.03932	0.7
163.11111	0.7
166.99767	0.7
167.04831	0.3
167.08543	0.3
168.00533	5.9
171.04431	1.3
171.11714	0.4
175.03912	1.1
177.05380	0.3
178.05206	0.3
181.06450	0.6
181.12175	0.3
182.49811	0.3
184.05142	0.8
185.00801	3.1
185.02325	0.8
186.01559	3.2
187.03871	0.7
189.05490	0.5
195.04419	5.1
199.02254	0.4
199.03973	0.8
201.00224	0.4
201.05226	0.4
203.03400	1.9
206.93642	0.7
207.02826	0.5
212.04585	0.5
213.05492	0.7
213.10376	0.4
215.03377	0.5
221.04485	1.3
226.07382	0.3
227.03447	1.2
234.05191	1.0
240.04108	1.2
240.09023	0.5
241.04938	0.4
241.09758	1.9
245.04466	1.0
245.13812	0.5
255.02852	0.8
255.06519	0.4
255.11197	1.7
257.04391	1.7
258.05261	1.3
268.03665	0.9
273.03915	53.1
274.04242	2.4
283.10809	2.7
283.20700	0.4
285.03842	2.3
286.04694	93.6
287.05042	3.2
300.02603	1.0
301.03403	92.6
301.07034	100.0
301.21640	1.0
302.03745	5.0
302.07315	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	301.0344
Annotation	Demethylwedelolactone
Peak:m/z	Relative Intensity
53.03914	0.3
63.51138	0.3
68.99790	100.0
69.23909	2.0
70.00117	0.8
77.03938	0.8
79.05505	2.5
91.05476	0.8
92.99786	0.8
95.01332	1.1
95.04957	1.3
98.23531	0.7
99.58541	0.4
103.05480	0.5
105.03377	1.0
105.04498	0.9
107.04955	15.3
108.05231	0.4
111.00797	2.0
112.01566	0.4
113.37821	0.4
115.05463	0.6
119.04913	0.9
123.00791	1.8
131.04910	0.9
133.02821	1.3
135.04413	24.8
136.04721	0.4
138.01848	0.6
139.00259	10.6
140.00951	0.5
140.03407	0.5
147.04410	1.5
149.02356	0.8
161.02304	2.3
166.99770	10.7
168.00568	1.9
168.02930	1.1
169.01332	0.6
171.04378	2.4
175.03920	1.6
177.01738	0.5
178.02629	0.4
179.03380	0.5
183.02867	1.2
183.04370	0.5
185.00813	67.8
186.01300	1.4
187.03925	1.2
199.03902	2.8
203.03372	1.2
205.01355	0.8
217.04886	0.7
227.03375	1.3
231.02853	0.9
245.04471	1.7
255.02925	1.4
256.06067	1.0
258.05246	0.5
273.03903	3.7
283.02258	0.9
285.04013	0.6
286.04742	5.5
301.03397	23.3
301.07034	12.8
302.03717	1.0
302.06836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01867	0.8
55.05496	0.6
57.03428	0.7
67.05499	1.2
68.99426	0.6
68.99788	10.0
69.03426	27.8
69.07060	0.6
69.28773	2.1
69.71362	0.4
79.05476	1.1
81.07053	1.5
83.04982	0.6
83.31256	0.4
85.02883	1.1
87.00793	0.4
90.03548	0.4
91.05474	2.2
92.99771	1.0
93.07030	1.9
95.01358	2.4
95.04960	1.1
95.08595	1.3
97.06434	0.4
105.07018	1.8
105.27327	0.4
107.04957	0.5
107.08607	1.2
109.10159	0.6
109.87930	0.4
112.01552	0.8
119.04917	1.7
119.08562	1.4
120.05714	0.6
121.02901	3.0
121.06505	17.9
121.10101	0.8
125.02348	21.0
131.04944	0.5
131.08591	0.5
132.41425	0.4
133.10135	1.0
134.03575	0.4
135.04410	1.0
136.01563	0.4
137.02303	0.8
137.05910	0.6
139.00275	4.1
140.01067	0.6
145.10114	1.1
147.11658	0.7
149.09497	0.4
152.06093	0.5
153.01817	51.0
153.06950	0.7
154.02306	1.0
155.08511	0.4
157.01302	0.6
157.06477	1.3
159.11703	0.8
163.03911	1.0
165.06966	0.5
168.00566	1.5
171.02885	12.6
171.04341	1.0
172.03152	0.5
179.03387	1.8
181.01241	2.7
181.06458	1.0
182.01993	0.6
183.02888	1.0
186.01570	1.7
187.03859	0.8
195.04311	1.0
198.06824	0.7
199.02365	100.0
199.14848	0.5
200.02890	2.9
201.00319	1.8
203.03528	0.5
211.03857	0.4
213.05370	1.5
223.07661	0.6
223.14404	0.4
229.04930	0.9
236.55563	0.4
241.04929	2.9
241.08490	0.7
245.08185	2.7
255.20947	0.5
257.04492	1.0
273.03918	5.2
273.07541	4.9
283.20444	0.9
286.04706	17.2
287.04932	0.7
301.03415	10.4
301.07031	22.9
301.10715	2.9
301.14209	1.6
301.18097	1.1
301.21664	2.7
302.04211	8.1
302.07440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90520	0.2
55.01939	0.5
56.02731	0.4
57.63783	0.2
59.03351	0.2
68.99474	1.2
68.99892	7.3
70.00246	0.2
70.00655	0.3
70.64924	0.2
70.65270	0.4
71.01432	0.2
72.08235	0.5
72.33730	0.2
78.96452	0.2
79.05584	0.3
82.55135	0.2
83.01424	0.3
83.04533	0.2
83.05048	0.3
84.02235	0.8
91.05599	2.2
92.22308	0.2
92.99854	0.2
93.07110	0.2
99.00918	0.8
103.05593	0.6
105.03512	0.3
105.06532	0.2
105.07168	0.7
107.05081	1.1
111.00905	0.6
112.01577	2.8
117.33803	0.2
118.04251	0.5
119.04934	1.1
120.05772	0.3
121.02858	1.3
127.00285	1.5
128.06276	0.2
131.04912	1.2
135.04399	1.4
137.02328	1.3
139.00255	5.7
140.01045	4.9
147.04500	0.5
153.01924	0.5
154.99844	0.3
157.01375	0.3
163.03963	0.2
166.99811	0.4
168.00537	18.2
168.05786	0.4
169.01302	2.5
171.04500	0.5
181.06551	0.3
182.99313	1.6
183.02881	8.9
184.05379	0.2
185.00809	2.4
185.02301	0.2
186.01588	10.3
194.03864	0.2
195.04509	0.8
198.06761	0.2
199.02435	0.2
201.00287	0.4
212.04845	0.3
213.05380	0.2
215.14442	0.2
240.04181	0.4
241.04926	0.2
241.08627	0.9
243.05540	0.3
245.04445	0.4
255.06425	0.2
257.04510	0.4
258.05212	5.4
259.05582	0.3
268.03662	3.0
269.04413	2.4
271.05103	0.4
273.03900	5.8
274.04257	0.4
285.03891	3.4
286.04688	59.1
287.05051	2.4
293.14224	0.2
301.03445	7.8
301.07004	100.0
302.03946	0.8
302.07318	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	301.0706
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.18960	0.3
64.72823	0.3
68.99798	0.4
69.39750	1.1
69.40192	0.5
88.82456	0.3
98.05994	0.2
103.49823	0.3
106.29314	0.3
112.01566	0.6
119.04914	1.0
120.05672	1.1
121.02860	1.5
129.97223	0.3
140.01025	1.0
147.04366	1.1
149.07228	0.3
160.05209	1.4
167.04861	0.5
168.00540	5.5
171.04396	0.4
184.05151	1.4
186.01640	1.5
187.03920	0.5
191.95975	0.3
195.04411	5.7
202.06300	0.4
212.04623	0.4
213.05437	0.6
215.03362	0.6
229.05058	0.5
234.05173	1.1
240.04192	1.3
257.04587	1.6
257.06848	0.3
258.05252	1.7
268.03732	0.6
271.04977	0.9
285.03952	2.3
286.04703	99.2
287.05081	3.4
300.02530	0.5
301.07050	100.0
302.07425	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	301.0699
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01866	0.3
56.02639	0.3
58.99558	0.2
64.80778	0.2
65.03954	0.2
67.05523	0.3
67.89294	0.2
68.99783	1.5
69.03417	0.6
69.07053	0.3
70.77334	0.3
71.93504	0.2
74.51102	0.2
76.12435	0.2
79.05492	0.4
81.07043	0.4
82.92040	0.2
84.02118	0.5
86.09676	0.4
91.05482	0.7
92.51417	0.2
93.07005	0.3
95.08606	0.4
99.00800	0.8
105.07021	0.3
105.27877	0.2
106.11978	0.2
107.04914	0.3
107.08579	0.4
109.06505	0.3
111.04443	0.2
112.01564	1.8
118.04169	0.2
119.04932	1.8
119.08559	0.3
120.05784	0.3
121.02855	4.6
127.00281	1.1
127.51912	0.2
131.04893	0.2
133.06543	0.2
133.10133	0.3
135.04399	0.7
137.02353	0.6
137.05988	0.3
139.00241	1.3
139.07628	0.2
140.01030	3.5
143.08449	0.3
144.05757	0.3
145.10078	0.4
147.04387	0.3
154.99608	0.2
156.05548	0.2
157.10057	0.3
159.11568	0.3
160.05202	0.6
165.05511	0.4
165.06926	0.3
168.00528	24.1
169.01120	0.6
171.11690	0.3
183.02861	0.2
184.05154	0.5
185.13290	0.2
186.01573	9.8
195.04385	0.3
195.11446	0.2
197.08151	0.3
202.06140	0.2
212.04700	0.4
213.05385	0.4
229.04951	0.4
240.04193	0.6
245.04468	0.4
255.06509	0.6
255.21143	0.2
257.04474	0.5
258.05209	1.5
268.03790	0.2
269.04489	0.3
273.03909	1.9
283.05948	0.3
283.20490	0.5
285.03922	1.3
286.04675	100.0
287.05014	4.0
301.07022	87.9
301.21286	1.3
302.03952	0.3
302.07352	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	301.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55114	0.3
68.99752	0.8
69.47498	0.7
69.47894	1.1
71.01328	0.3
84.02081	0.7
84.57900	0.3
87.00809	0.3
94.79059	0.3
98.22662	0.6
98.76656	0.3
99.00756	0.7
112.01575	1.8
119.04897	1.5
121.02840	4.2
127.00204	1.0
135.50014	0.4
140.01050	2.9
160.05281	0.8
168.00537	23.4
186.01590	6.8
195.04375	1.1
240.04297	0.4
249.93219	0.4
257.04639	0.5
258.05188	1.6
268.52371	0.4
285.03870	1.5
286.04697	100.0
287.05017	4.7
295.55911	0.4
301.07050	91.9
302.07364	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	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01847	0.2
60.02530	0.2
60.08505	0.2
66.01093	0.2
68.99758	0.9
71.01314	0.3
71.23229	0.2
77.75988	0.2
84.02074	0.7
99.00774	0.7
112.01574	1.5
119.04943	1.5
121.02847	4.1
127.00234	0.7
137.02318	0.2
140.00052	0.3
140.01035	3.5
140.39711	0.2
145.02809	0.2
147.04359	0.4
153.59090	0.2
154.99730	0.3
160.05154	0.8
168.00536	21.8
169.00999	0.7
184.05138	0.3
186.01588	8.7
187.01982	0.4
195.04373	0.4
207.07336	0.2
212.04601	0.5
213.05406	0.5
231.44542	0.2
240.04204	0.5
255.06525	0.9
257.04477	0.9
257.08188	0.2
258.05170	1.5
269.04263	0.2
283.05786	0.3
285.03952	1.2
286.04691	100.0
287.05029	4.6
301.07047	93.1
302.07349	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	301.07
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47158	0.2
55.01830	0.2
61.68159	0.1
68.99764	0.8
69.08109	1.1
71.01324	0.2
84.02108	0.4
95.08537	0.2
98.22711	0.4
99.00789	0.2
112.01592	0.9
115.77164	0.2
119.04915	1.1
119.08559	0.3
120.05724	0.9
121.02852	2.5
127.00228	0.5
133.06525	0.2
135.04372	0.3
137.02266	0.2
139.00243	0.8
140.01035	2.2
147.04370	0.8
157.06487	0.2
160.05139	1.2
167.04890	0.3
168.00528	10.8
168.05684	0.2
169.01094	0.1
174.06622	0.2
184.05147	1.0
185.05838	0.2
186.01572	4.5
187.03847	0.4
188.04552	0.2
195.04387	4.0
196.04726	0.2
201.05524	0.2
202.06110	0.2
212.04590	0.5
213.05392	0.6
215.03455	0.3
216.04175	0.3
229.04866	0.3
234.05142	0.6
240.04214	0.9
255.06290	0.2
257.04434	1.0
258.05209	1.4
268.03723	0.9
273.03885	0.7
273.60004	0.2
285.03906	2.0
286.04675	100.0
287.05032	4.5
300.02704	0.4
301.07025	97.4
302.03986	0.3
302.07376	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	301.0707
Annotation	Koparin
Peak:m/z	Relative Intensity
55.70076	1.2
68.99792	37.5
72.08153	1.5
79.05551	1.3
81.03452	1.6
85.02905	1.7
91.05525	2.2
92.99792	1.2
103.05496	3.7
105.07031	14.9
105.13594	1.3
107.04980	3.5
111.00774	1.5
112.01588	1.3
119.04931	1.7
121.02855	1.5
130.91866	1.3
131.04916	13.8
135.04410	5.6
137.02332	14.7
139.00261	30.0
140.01024	2.9
152.64928	1.4
157.01312	2.8
164.96915	1.3
164.98218	6.2
166.99716	1.6
168.00549	12.1
171.04475	2.7
182.99254	34.0
183.02873	7.3
185.00826	7.4
186.01622	6.8
195.04379	2.7
201.00365	4.9
221.06055	1.7
227.03328	1.8
241.05005	2.2
241.08571	8.7
255.02690	1.5
258.05243	2.9
268.03757	1.7
269.04401	15.4
273.03958	26.3
284.09158	2.0
285.04080	2.4
286.04718	53.7
287.05148	1.5
301.03436	50.2
301.07077	100.0
302.04092	2.4
302.07239	4.3
302.10217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.50329	0.3
66.83482	0.3
69.53935	1.2
69.54316	0.7
79.65673	0.3
86.41457	0.3
99.00764	0.4
112.01513	0.8
115.94189	0.4
119.04855	1.5
120.05626	0.9
121.02847	2.8
126.46043	0.3
127.00238	0.5
140.01035	1.8
147.04324	1.0
160.05228	2.5
168.00539	8.1
168.05621	0.5
184.05066	0.8
186.01553	2.3
187.03842	0.6
195.04381	4.7
212.04710	0.6
213.05312	0.9
215.03317	0.4
229.05028	0.4
234.05240	0.6
240.04201	1.5
255.06470	0.3
257.04376	1.3
258.05212	2.1
268.03680	1.1
285.03848	2.7
286.04675	100.0
287.05026	4.4
300.02670	0.5
301.07028	76.4
302.07327	3.8
324.82532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02646	0.3
63.30589	0.3
66.01108	0.2
68.99776	1.3
69.12371	1.7
69.12753	0.5
71.01344	0.4
83.79816	0.3
84.02111	1.2
91.05438	0.6
99.00238	0.2
99.00827	0.8
105.07039	0.5
112.01601	1.9
118.04130	0.5
119.04932	0.7
123.00787	0.5
127.00262	0.8
131.04903	0.3
140.01047	4.3
168.00552	21.8
169.01283	3.0
171.04283	0.3
183.02876	0.5
184.05124	0.2
186.01610	8.6
193.47699	0.2
240.04149	0.4
258.05234	7.8
259.05661	0.4
268.03659	3.7
269.04434	1.2
273.07425	0.3
283.06198	0.3
285.03918	5.3
286.04706	29.7
287.05219	1.2
301.07065	100.0
302.07370	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	301.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98369	0.3
60.21805	0.3
67.42065	0.3
68.99757	0.4
69.74151	1.0
69.74487	0.5
84.02072	0.6
94.46581	0.3
112.01498	1.1
113.42910	0.4
119.04862	1.3
120.05738	0.6
121.02859	2.6
127.00196	0.5
137.72549	0.3
140.01054	2.2
147.04311	1.0
160.05124	1.3
166.95045	0.3
168.00546	10.9
169.01170	0.5
184.05109	1.0
186.01584	4.3
187.03841	0.4
195.02760	0.4
195.04393	4.0
212.04645	0.4
213.05472	0.7
233.78287	0.3
234.05157	0.6
240.04176	1.4
257.04465	1.5
258.05249	2.0
268.03540	0.9
285.03964	2.0
286.04706	100.0
287.05045	4.2
300.02692	0.4
301.07062	91.4
302.07422	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	301.0704
Annotation	Sophorafuran A
Peak:m/z	Relative Intensity
55.05497	1.4
55.24541	0.5
57.07076	2.9
58.06581	1.4
58.13934	0.4
59.40892	0.4
61.63603	0.4
67.05499	1.0
68.99782	0.8
69.03410	0.6
69.07059	1.2
70.06235	0.6
70.06590	8.6
70.93324	0.9
71.06902	0.6
71.08616	1.2
72.08129	1.3
73.40300	0.4
79.05478	0.7
80.06836	0.4
81.03387	0.7
81.07037	1.7
83.04947	0.5
84.08123	1.2
86.09687	1.6
88.07602	1.3
91.05469	1.4
93.07017	1.3
95.04941	0.9
95.08590	1.9
95.49614	0.5
99.00782	0.6
105.06999	1.7
107.08601	1.2
109.10122	0.9
112.01563	0.9
119.04922	1.7
119.08569	1.4
120.05743	1.0
121.02848	2.7
121.10130	0.7
129.06969	0.5
131.08546	0.6
132.10207	2.9
133.06509	0.6
133.10054	1.0
135.08072	0.4
135.11639	0.4
139.00209	0.5
139.03909	0.8
140.01025	0.9
143.08578	0.5
145.10156	1.1
146.11775	4.0
147.04399	1.0
147.11716	0.9
154.07751	0.5
155.08582	0.7
157.10149	0.9
159.11719	0.6
160.05170	1.7
161.13234	1.0
163.07515	0.5
167.08473	0.5
168.00542	7.4
169.01285	0.4
169.10066	0.6
173.13281	0.9
183.11662	0.6
184.05154	1.3
186.01578	5.9
187.03891	0.6
187.11139	0.8
195.04408	5.1
197.13342	0.6
199.14897	0.6
203.10487	0.5
212.04684	0.6
212.23775	0.6
213.05513	0.6
215.03371	0.5
215.14476	0.7
234.05251	1.1
237.00394	0.5
237.16341	0.6
239.17953	0.8
240.04184	1.6
240.23219	3.0
256.14447	0.8
256.26288	0.5
257.04486	1.4
257.18903	0.6
258.05252	1.3
268.03610	0.8
271.16895	2.3
272.17578	0.5
273.03970	0.5
283.17004	0.6
283.20493	1.1
285.04001	1.7
286.04688	100.0
287.05060	4.6
300.02637	1.3
300.28952	31.8
301.07037	99.6
301.17960	11.6
301.21622	6.1
301.29239	11.5
302.07397	5.3
302.18527	0.6
302.21881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Sophorafuran A
Peak:m/z	Relative Intensity
55.05464	0.8
57.07010	1.6
57.07253	0.5
59.00911	0.4
60.88101	0.4
61.62926	0.4
64.37794	0.4
66.98487	0.4
67.05447	0.7
68.99735	1.0
69.07001	0.7
69.29004	2.3
70.06514	1.8
70.06870	0.6
71.08582	0.7
73.74194	0.4
78.34985	0.4
79.05413	0.4
81.03352	0.5
81.07006	0.8
83.04938	0.8
88.07573	0.9
91.05428	1.0
93.07008	0.4
95.08495	1.2
95.52016	0.4
98.97519	1.1
105.06954	1.8
107.08536	0.8
109.10099	0.7
112.01505	0.9
114.09067	1.5
116.98569	0.7
119.04906	2.0
119.08534	1.0
120.05692	1.0
121.02869	2.4
121.10105	0.7
126.46841	0.4
127.00241	0.7
132.10201	2.7
133.10092	0.5
134.99498	0.6
140.00977	1.6
143.08519	0.5
145.10043	0.7
146.11682	0.7
147.04352	1.1
147.07941	0.5
147.11633	1.3
157.10040	0.6
159.11604	0.7
160.05092	1.0
161.13138	0.8
167.99326	0.5
168.00540	6.8
169.01033	0.4
171.11516	0.6
173.13130	0.9
184.05153	1.1
185.09850	0.5
186.01602	4.2
187.03883	0.8
187.07439	0.5
195.04373	3.5
202.06367	0.5
212.04721	0.6
231.10201	0.5
234.05138	0.9
240.04140	1.3
240.23169	1.7
243.06618	0.5
257.04443	1.8
258.05145	1.9
268.03561	0.7
271.16870	2.0
273.03833	0.6
279.74487	0.4
283.17236	0.6
285.03952	2.3
286.04681	100.0
287.05087	3.6
300.02689	0.5
300.28934	12.3
301.07031	91.4
301.17963	9.5
301.21634	1.7
301.29227	5.5
302.07401	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	alnusin
Peak:m/z	Relative Intensity
55.41296	0.2
57.03189	0.3
57.03436	4.1
57.51203	0.3
59.01356	0.5
68.99785	26.2
69.20816	0.3
70.48354	0.3
70.48670	0.5
83.01337	8.8
85.75111	0.2
87.00787	0.3
91.05474	0.5
95.04895	0.3
97.10401	0.2
98.22773	0.3
101.02374	13.7
103.05459	10.8
105.03409	0.4
105.07016	4.5
113.40786	0.3
115.88251	0.2
119.03403	6.1
119.04739	0.3
121.02791	0.2
127.00291	1.3
127.61552	0.2
129.01845	1.5
131.04922	18.8
132.05258	0.3
132.98071	0.3
139.00281	0.5
145.01302	4.4
153.01814	0.4
155.04886	0.5
156.00517	0.4
168.00540	0.9
186.01595	0.3
197.00690	1.4
199.03934	0.3
202.01024	0.5
215.01845	100.0
216.02203	1.7
241.04901	0.5
259.05920	0.6
271.06052	0.5
273.03879	0.5
283.05890	0.6
286.04703	5.4
301.03586	0.5
301.07025	11.3
301.10339	0.4
302.07291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Diosmetin
Peak:m/z	Relative Intensity
55.01839	0.3
55.27149	0.2
56.02637	0.3
68.99786	3.5
70.92379	0.2
71.01295	0.2
72.08125	0.6
75.63234	0.2
84.02085	1.0
86.30827	0.2
91.05468	1.9
99.00774	0.7
103.05389	0.3
105.89017	0.2
107.04906	0.3
112.01575	1.9
118.04176	0.4
119.04893	0.9
121.02818	1.0
127.00258	1.2
131.04892	1.0
133.48094	0.2
135.04369	0.5
136.49228	0.2
139.00226	1.0
140.01042	3.8
153.01823	0.4
154.99800	0.2
168.00528	15.5
169.01343	1.3
177.24736	0.2
183.02875	11.9
184.03273	0.2
184.05177	0.2
185.00807	2.0
186.01581	5.9
187.03799	0.4
195.04491	0.5
198.78831	0.3
258.05206	5.1
268.03635	2.1
269.04419	1.4
273.07382	0.2
285.03891	2.8
286.04681	36.3
287.05072	1.7
301.07028	100.0
302.04041	0.3
302.07379	4.3
302.10660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23623	0.2
53.89380	0.2
55.01849	0.2
56.02645	0.5
68.99784	1.7
70.00546	0.2
71.01346	0.4
84.02127	1.6
91.05479	1.5
97.34888	0.2
99.00793	1.0
112.01582	3.0
118.04128	0.5
119.04935	1.2
120.20737	0.2
121.02849	1.5
127.00287	1.2
127.49288	0.2
139.00233	0.5
140.01036	5.8
144.57314	0.2
153.01820	0.6
154.99728	0.6
160.05338	0.2
168.00542	21.7
168.05690	0.5
169.01324	2.8
170.03586	0.2
171.04410	0.5
183.02884	4.6
183.04414	0.4
184.05232	0.3
186.01595	9.7
194.03534	0.3
195.04382	0.3
212.04706	0.3
240.04135	0.2
258.05222	6.6
258.07947	0.3
259.05573	0.2
268.03635	3.2
269.04437	1.3
271.05502	0.2
273.03931	0.6
285.03912	4.3
286.04700	58.5
287.05112	2.8
301.07047	100.0
302.07407	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	301.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
56.02633	0.2
57.02323	0.2
65.03928	0.2
68.99791	2.7
69.53465	0.4
69.53874	0.5
78.01942	0.2
84.02112	1.2
87.15743	0.2
91.05466	2.4
97.21656	0.2
99.00791	0.6
112.01579	2.5
118.04166	0.4
118.19722	0.2
119.04247	0.2
119.04955	1.5
119.05759	0.3
121.02869	1.3
127.00303	1.0
131.04886	0.3
135.04408	0.2
139.00224	0.8
140.01031	3.8
147.04372	0.2
151.21344	0.2
153.01823	0.4
154.02168	0.2
155.02243	0.2
168.00537	17.3
168.05693	0.4
169.01312	1.9
171.04385	0.2
183.02881	10.0
184.05183	0.3
185.00766	0.4
186.01591	7.1
194.03671	0.2
195.04402	0.5
197.04262	0.2
201.00232	0.3
213.05519	0.2
229.04846	0.2
240.04132	0.4
255.06372	0.3
257.04562	0.4
258.05228	5.0
259.05774	0.2
268.03690	2.0
269.04346	1.3
271.06177	0.5
273.03925	1.0
273.07239	0.4
285.03882	2.9
286.04694	42.8
287.05118	1.8
301.07037	100.0
302.07394	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	301.1071
Annotation	6-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
50.62732	0.5
51.55113	0.5
53.03937	1.1
54.51035	0.4
55.05510	4.6
56.77877	0.5
57.03427	1.4
65.03926	0.5
67.05492	2.1
67.47018	0.5
68.99420	0.8
68.99783	11.5
69.03435	2.6
69.75672	1.7
71.01343	0.6
71.85752	0.5
72.08142	1.4
77.03925	0.9
79.05489	2.2
81.03448	0.6
83.01337	1.7
83.04977	1.2
85.02905	1.6
91.05479	7.6
91.37326	0.6
93.07044	0.8
95.01339	1.5
95.04947	4.1
98.22694	0.5
99.04436	0.8
101.02364	1.8
101.17923	0.6
103.05457	6.0
105.03357	0.7
105.07030	5.9
107.04933	3.8
108.02090	0.6
109.02887	3.3
109.06541	1.0
112.01604	0.9
113.02380	1.3
115.05454	2.0
119.03411	0.9
119.04956	0.8
121.02842	1.1
121.06505	0.7
123.04411	3.6
125.02322	2.1
127.00262	0.6
127.03912	2.1
129.06982	0.6
131.04918	11.1
133.06477	0.8
135.04417	2.9
136.01550	3.3
137.02351	1.3
139.00285	3.2
140.01042	0.8
141.05499	2.9
151.03900	6.4
153.01807	3.8
153.05443	0.9
154.02596	3.5
155.03441	0.9
155.04878	1.0
157.06509	1.4
163.03937	0.9
164.01028	1.0
165.06850	1.0
167.08572	0.5
168.00594	2.9
169.01303	1.4
169.04982	6.7
170.01726	0.6
171.02861	1.0
173.06038	0.5
174.69255	0.5
179.03310	0.8
180.09283	0.6
181.01268	1.0
181.04961	1.6
182.02081	5.2
183.02875	2.0
185.00838	1.5
186.01604	1.6
187.03824	0.7
195.04347	0.8
197.04446	100.0
198.04861	2.4
198.06537	0.5
199.02362	7.0
200.03113	2.8
201.00287	2.4
205.60388	0.5
215.01894	12.2
215.05434	13.3
215.07404	0.8
224.92484	0.5
227.03352	0.6
248.58749	0.6
255.06465	0.7
255.10085	0.8
258.05139	0.9
265.08667	0.7
268.03598	0.6
269.04425	0.9
273.03891	3.5
274.43521	0.5
283.06473	1.0
283.09692	2.3
283.17026	0.7
285.03894	1.4
286.04712	16.2
286.07693	0.6
287.05133	1.0
301.03397	10.5
301.07013	28.9
301.10666	26.9
301.17926	1.2
301.21390	1.1
302.07248	2.1
302.10864	1.4
308.75732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1181
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
51.41201	0.4
53.80220	0.4
58.67222	0.4
65.03863	1.8
67.05421	2.3
68.99712	1.3
69.03362	0.7
69.07000	0.6
69.79391	0.5
69.79745	1.1
75.50871	0.4
79.05431	1.0
81.03304	0.3
81.06975	1.3
91.05396	1.4
92.05003	2.3
93.06953	1.3
94.06490	0.9
95.04884	0.8
95.08541	1.0
97.06513	0.4
105.06952	0.7
106.06483	0.8
107.08511	0.7
107.57325	0.4
108.08080	0.4
109.10119	0.4
111.07987	0.5
115.05384	0.7
117.07032	0.4
119.04845	0.7
119.08478	1.0
120.04471	2.2
121.02778	1.4
121.10041	0.6
122.05941	1.8
128.06155	0.7
128.91647	0.4
129.06929	0.7
130.06451	0.6
131.08430	0.5
133.09970	0.5
135.04318	0.6
135.07899	0.4
136.07555	2.5
139.00157	1.3
139.03836	0.5
141.06903	0.7
142.07635	0.5
143.08395	0.7
144.08017	0.6
145.08647	0.4
145.10045	0.6
147.11641	0.7
148.03886	0.4
152.06033	0.7
153.01758	0.7
153.06902	0.6
154.06422	1.0
154.07658	0.6
155.07205	0.5
155.08461	0.9
156.08009	0.6
157.08815	0.4
157.10045	0.8
158.09558	0.8
159.09105	0.8
159.11633	0.6
160.07452	0.4
161.13161	0.6
162.05418	1.3
163.03886	0.4
165.06931	0.9
167.07198	3.0
167.08516	0.9
168.00427	0.5
168.08055	1.5
169.07504	0.6
169.08752	1.7
169.10057	0.7
170.08322	2.3
170.09590	1.2
171.11568	0.5
172.07468	0.8
172.11107	0.6
173.07011	0.9
180.08022	0.6
182.05908	0.7
182.09634	3.4
183.09146	2.5
184.07611	0.6
184.09801	3.8
184.11209	1.8
185.07079	0.8
185.10590	1.4
186.09091	0.8
187.08667	3.4
192.08087	0.6
194.09749	0.7
195.06679	0.6
196.07475	1.7
197.06856	2.2
197.08546	0.8
197.10742	0.7
198.07787	5.8
199.02295	1.2
199.08536	1.0
199.12294	8.7
200.10670	0.9
209.10703	0.7
210.09140	7.2
211.08592	8.2
212.09244	12.4
213.06686	0.6
213.10179	7.1
215.08382	0.4
222.07805	0.6
223.08461	0.8
225.06606	2.9
225.10168	1.3
226.07278	5.1
226.10928	1.5
227.08054	1.1
227.11768	30.5
228.10144	0.5
228.12086	1.0
237.10110	2.4
238.08681	2.8
239.08202	3.1
240.08905	15.7
241.09692	22.4
242.10054	0.8
253.09663	0.8
254.10437	1.9
255.11256	100.0
256.11591	3.8
257.12802	3.1
273.03833	2.2
273.12344	1.1
283.10739	31.4
284.11099	1.6
286.04706	3.5
301.03433	2.7
301.07092	3.1
301.11783	16.3
301.17978	1.9
301.21625	1.9
301.25479	0.5
302.12027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
68.95397	0.5
68.99776	1.7
69.03419	1.2
69.07048	0.5
70.06580	1.4
70.08415	0.6
70.08757	1.1
72.08172	0.6
73.02889	0.6
76.61282	0.5
81.03425	0.5
84.08124	1.2
85.02904	5.9
86.09682	1.2
91.05464	1.0
93.07011	0.9
95.04919	0.6
97.02873	1.1
99.04374	0.5
116.98673	0.6
121.02847	0.6
121.06486	4.2
127.03883	0.9
128.00795	0.8
135.04378	0.8
144.05714	0.6
145.04929	1.3
145.06476	0.8
147.04347	1.1
151.07510	0.7
157.99983	0.6
159.08005	1.5
168.00511	1.1
175.07530	0.9
179.07014	0.7
182.08173	1.1
185.00722	0.7
186.01643	0.8
187.07526	3.3
195.04422	1.2
205.08502	1.5
217.08675	0.6
273.04001	1.5
286.04709	17.3
287.05020	1.2
301.07361	16.5
301.12515	100.0
302.07455	1.0
302.12741	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.3
67.57349	0.3
70.06583	1.3
70.92459	0.8
83.39851	0.3
84.04496	0.8
84.08117	1.2
86.09715	1.7
105.07071	0.4
112.08679	0.4
116.07080	0.5
119.12036	0.3
130.04971	0.7
147.07610	0.5
148.27620	0.3
158.09268	0.5
178.09956	0.4
208.75119	0.5
273.03955	1.0
286.04688	7.8
287.05170	0.6
301.06973	6.6
301.12537	100.0
302.12881	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	0.8
57.03402	0.9
62.09431	0.6
68.99780	1.7
69.03421	12.9
69.28535	1.4
69.28937	2.6
70.06573	2.0
81.32863	0.7
84.04462	1.2
84.08115	1.5
85.02868	3.1
98.97574	0.8
103.05516	0.9
105.06999	3.1
115.05455	1.4
121.06468	2.5
129.06963	1.1
130.04958	1.5
131.04974	0.9
131.34727	0.7
133.06458	2.0
136.74547	0.7
137.05988	1.8
143.04872	1.0
147.04396	1.6
149.05931	3.1
151.07504	5.4
157.06451	1.3
157.99985	0.7
159.07912	1.0
161.05908	3.7
163.07529	0.8
165.04050	0.6
165.05345	3.6
167.07019	1.8
168.00511	2.1
175.07524	1.8
176.02687	0.7
179.07062	5.3
183.08092	0.9
186.01643	0.9
187.07521	1.2
189.05414	0.9
191.06889	0.9
195.04326	0.9
203.06955	2.0
221.08054	2.0
229.08521	1.2
247.09615	3.0
283.05551	1.4
286.01645	1.1
286.04706	17.9
287.05164	1.4
301.07303	19.5
301.12485	100.0
302.07162	1.0
302.12747	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	301.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
60.77195	0.6
62.75186	0.6
68.04590	0.6
68.99789	3.2
70.06239	0.9
70.06595	14.6
70.23792	1.2
72.08160	1.5
84.08160	1.3
86.09692	2.3
87.09991	0.6
89.06034	2.9
90.06350	1.6
90.90337	0.9
107.04939	1.1
116.07068	1.5
117.07375	1.2
119.04968	0.9
121.02867	0.7
122.21591	0.6
130.04980	1.1
131.04854	0.7
133.02844	0.9
133.08598	0.8
134.08913	0.7
136.06166	3.6
137.02306	1.0
137.05727	1.1
137.06548	2.1
147.04437	1.1
149.94037	0.8
157.13435	0.6
164.16905	0.6
165.05460	0.8
168.00558	1.3
177.05420	0.7
177.77159	0.6
185.00713	1.5
186.01494	0.7
195.04349	1.1
197.08109	0.8
205.09720	0.7
216.09079	0.6
231.02885	1.0
245.04381	0.8
256.06772	0.6
273.04034	3.1
284.17703	1.2
286.01617	1.3
286.04691	19.9
287.04944	0.7
301.03372	2.0
301.06973	20.2
301.12427	100.0
302.07312	0.7
302.12787	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15915	2.9
57.03411	3.6
68.99797	20.5
69.03065	7.2
69.03432	100.0
70.68197	3.5
71.05006	5.6
85.02876	5.2
91.05488	5.9
93.07034	4.5
98.23371	3.4
103.05471	6.1
105.07054	17.4
115.05464	6.6
117.06999	4.0
119.04917	3.8
121.06521	9.3
128.06223	4.3
129.07024	9.8
131.04924	13.4
133.06488	17.6
135.04446	5.8
139.00287	5.5
143.04907	6.8
145.06425	3.7
147.04401	11.5
149.06006	23.9
151.07526	31.4
157.06525	10.2
161.05968	31.9
163.07576	5.0
165.05455	28.2
167.07063	13.3
169.17999	3.2
175.07475	4.4
176.55093	3.1
179.07034	46.1
185.00787	14.9
189.05457	6.3
203.07033	15.2
221.08170	18.3
229.08583	7.9
247.09650	30.0
286.04776	7.5
301.03491	10.4
301.07068	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	301.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	94.3
57.58746	0.6
60.44721	0.6
61.57976	0.7
62.29707	0.7
70.06590	3.0
71.43003	0.7
71.95245	1.0
72.08121	0.8
72.96046	4.5
74.97614	2.0
83.97627	2.6
84.08150	4.6
84.96049	2.5
85.06442	0.8
86.07172	1.0
86.09700	9.4
97.99159	1.2
98.97581	4.5
107.98656	0.7
109.99184	0.6
110.97579	1.4
116.00196	0.9
116.07082	1.4
116.98637	3.9
118.03502	1.8
121.04021	4.1
121.33501	0.7
124.00717	2.7
126.02261	8.3
128.00182	1.6
128.98589	1.4
130.03459	0.8
134.99675	1.4
136.04546	0.8
138.05452	1.7
139.05025	2.2
139.05910	1.1
139.08606	1.1
139.09563	0.9
140.03824	9.2
142.01747	1.8
142.05386	10.3
143.03746	0.8
143.06685	0.8
144.03323	7.0
144.06750	0.7
145.02861	2.1
146.01295	1.2
146.99593	1.1
158.04880	18.1
158.06152	1.3
160.06438	34.2
161.04736	1.3
162.07919	1.3
163.07536	0.6
170.04822	8.2
170.06062	0.9
171.03348	1.7
172.08119	0.7
176.05946	5.8
176.97394	1.2
177.00885	4.5
178.07504	8.8
180.97533	1.0
188.05907	22.1
189.04306	21.8
189.05875	1.1
198.98524	2.5
205.02278	1.1
205.06651	0.8
206.06975	36.5
207.03114	1.2
207.05339	10.6
207.07031	1.1
208.05844	0.9
215.10007	0.8
216.99460	1.1
219.01988	6.6
224.08032	46.2
225.08382	1.2
232.96356	0.8
233.03505	3.7
242.09215	1.1
244.07986	0.7
256.12689	0.7
257.15366	1.3
258.97446	1.2
259.01517	2.6
259.09811	0.7
259.97409	0.9
260.00015	0.9
261.02972	1.1
273.03140	1.4
273.12729	1.4
274.13245	1.1
276.98727	1.5
277.02975	1.2
277.10681	0.8
283.13397	1.0
284.11646	2.6
286.04681	9.5
294.99637	0.9
301.02328	4.3
301.06549	6.9
301.14343	28.0
302.12686	9.0
319.03235	2.4
319.15359	100.0
320.15552	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	301.1796
Annotation	4-Methoxyestrone
Peak:m/z	Relative Intensity
54.53298	0.3
55.05500	2.0
57.03411	0.4
57.07046	0.5
62.99471	0.4
67.05495	1.5
69.07053	3.5
69.22312	2.2
70.06594	0.7
71.08620	0.4
79.05491	0.7
81.07042	3.0
82.46346	0.3
83.08582	0.8
88.07619	0.9
91.05465	1.0
93.07025	1.3
95.08599	1.6
97.10154	1.6
105.07023	1.7
107.08589	1.2
109.06512	0.5
109.10143	1.5
115.05465	0.5
117.07008	1.3
119.08590	0.9
121.02831	0.4
121.06505	1.8
121.10138	0.8
123.11694	1.0
128.06232	0.6
129.07008	1.0
131.08554	1.3
133.06407	0.5
133.10110	0.7
135.08018	0.4
137.05951	5.0
140.00967	0.4
142.07761	0.5
143.08524	1.4
145.06453	3.1
145.10052	0.9
147.08017	1.0
147.11670	0.5
149.05960	0.6
149.09694	0.4
150.06702	0.5
151.07532	1.6
155.08508	0.7
157.06477	0.9
157.10124	1.2
159.08028	2.2
159.11761	0.6
160.08859	0.4
161.05948	0.4
161.09564	0.8
161.13184	0.4
163.07516	4.2
168.00490	0.8
169.10208	0.4
170.10886	1.1
171.08044	1.5
171.11700	0.8
173.09619	1.3
175.07483	1.2
176.08322	0.7
177.09090	3.4
179.06985	0.5
184.05209	0.4
185.09592	1.6
185.13159	0.3
187.07495	7.3
187.11134	1.1
189.09091	4.5
190.09833	0.6
191.10599	0.8
195.04402	0.9
198.10362	0.4
199.11168	1.1
201.09061	1.4
202.09862	0.5
203.10645	19.5
204.10896	0.4
213.09088	0.5
215.10652	5.9
216.11362	0.9
217.12192	1.3
229.12201	1.5
241.12193	1.0
255.13838	0.4
255.17476	0.5
256.14584	3.8
257.15271	0.9
271.16873	8.8
272.17654	10.5
273.18402	7.3
273.21307	0.4
274.18716	0.5
286.04672	15.7
287.05063	1.2
300.32376	0.8
301.07025	13.8
301.17935	100.0
301.32947	1.0
302.07428	1.1
302.18295	5.8
302.30423	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	301.1796
Annotation	16-nor-15-Oxoabieta-8,11,13-trien-18-oic acid
Peak:m/z	Relative Intensity
53.03943	1.8
55.01858	1.1
55.05506	9.0
57.03423	1.8
67.05499	9.2
69.03423	17.1
69.07062	3.7
71.04984	1.1
71.34032	1.0
77.03879	0.8
79.05492	6.4
81.03413	20.9
81.07050	7.7
83.04980	13.0
83.08617	1.1
84.59073	0.8
85.02888	1.8
91.05478	11.2
93.07034	8.9
95.04973	5.3
95.08601	7.5
97.06515	2.3
101.37769	0.8
101.88155	0.9
105.06353	1.0
105.07024	14.8
107.04949	1.8
107.08590	7.8
109.02843	2.0
109.06519	3.0
109.10134	2.9
111.04433	21.8
111.08125	1.1
113.05979	1.4
115.05457	1.6
117.07011	7.0
119.04927	3.2
119.08569	13.7
121.02853	1.2
121.06530	4.4
121.10133	5.0
123.08054	1.8
128.06229	3.1
129.06987	4.6
130.07767	1.5
131.04938	1.4
131.08551	11.3
133.06516	4.5
133.10114	6.2
135.08078	4.4
135.08981	0.8
135.11690	1.1
136.46770	0.8
137.05940	1.0
137.09531	1.2
141.06940	4.1
141.50735	0.8
142.07759	3.5
143.08553	11.3
144.09326	1.2
145.06482	2.3
145.10114	12.7
147.08086	3.9
147.09062	0.9
147.11653	4.5
149.09613	2.2
149.13242	1.8
153.07072	1.3
155.08511	5.9
156.09322	3.4
157.06476	1.3
157.10112	11.0
158.07251	0.9
159.08092	4.2
159.11679	6.4
161.09615	4.8
161.13237	4.2
163.11188	3.0
163.14798	3.4
165.07011	2.6
165.09138	1.4
166.07747	1.3
167.08505	5.3
168.00574	3.2
168.09315	2.1
169.06485	1.2
169.10110	7.0
171.08037	2.3
171.11684	7.7
173.09637	4.2
173.13231	13.4
175.11174	3.7
175.14804	4.2
179.08542	2.7
180.09297	1.7
181.10114	6.7
182.10844	2.3
183.08035	1.4
183.11646	4.2
185.09641	4.0
185.13245	3.7
186.01697	1.5
187.07458	1.1
187.11208	4.0
187.14856	1.1
189.09161	2.0
189.12715	5.5
190.13416	1.1
191.14316	17.5
191.15915	0.7
193.10094	2.7
194.10963	1.4
195.04425	2.1
195.11653	5.9
196.12433	1.2
197.09610	2.2
197.13203	4.3
199.11186	3.6
199.14796	2.0
201.09183	1.0
201.12750	7.2
203.10513	1.1
203.14310	2.6
206.10931	1.8
207.11743	1.8
207.13774	1.0
208.12450	1.3
209.09540	2.1
209.13249	3.7
210.10229	1.4
211.11163	1.0
211.14842	4.1
213.12761	2.4
215.14328	3.4
217.15828	2.0
219.13821	3.8
221.13235	2.7
222.14026	1.6
223.11165	1.8
223.14767	2.5
227.14320	2.6
227.17905	1.9
229.15965	1.3
231.13777	1.3
235.14816	1.6
237.12694	1.0
237.16373	4.4
239.14317	4.1
241.12161	1.5
241.15862	1.2
244.19931	0.9
253.15843	1.4
255.17384	7.1
257.15326	1.8
259.13226	1.5
265.15860	4.9
271.16870	1.7
273.18530	2.7
283.16904	15.1
285.04007	1.3
286.04691	40.4
287.04898	2.1
301.07001	37.0
301.17953	100.0
301.29178	1.8
302.07272	2.4
302.18228	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	302.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04456	0.8
55.05512	1.1
56.96559	28.4
60.04508	1.1
70.06582	16.1
70.35354	2.1
72.08157	6.2
73.55318	0.9
84.04485	1.5
84.08141	10.3
85.02917	0.9
86.06065	3.9
86.09705	9.6
87.04444	1.4
88.07612	0.8
94.06588	0.8
95.57064	0.8
98.06065	0.9
110.07151	1.7
112.07576	1.7
112.08649	0.9
114.09164	3.5
115.08667	0.9
116.07094	2.6
116.84049	0.8
118.92046	4.2
120.08092	5.6
122.06035	2.3
124.03933	6.8
127.08663	1.1
129.10239	3.5
130.08618	4.4
132.10208	2.3
136.93102	28.1
138.05475	2.0
140.07034	10.4
143.08139	1.6
152.07013	1.0
154.94156	53.6
156.11356	1.3
161.12865	2.5
171.07643	2.0
171.96855	2.5
172.10823	2.6
172.95236	100.0
173.29764	0.8
176.03854	4.7
178.05365	7.2
183.03310	1.3
190.96295	49.6
194.04921	1.5
195.03261	1.0
195.96861	1.1
196.06403	5.1
201.04301	1.1
204.03362	2.2
208.02759	1.1
215.13983	1.6
222.04362	16.4
240.05389	13.2
243.17175	1.6
245.15254	1.0
256.98813	11.0
274.01544	1.1
274.99896	13.5
283.99741	1.9
284.98376	1.1
285.19455	1.0
287.05042	3.5
302.00964	75.1
302.07187	2.9
302.12506	3.2
302.21762	9.9
303.01208	3.1
303.10651	1.2
320.01904	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	302.2074
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
53.03941	0.6
55.05508	8.1
56.05036	1.3
67.05521	0.9
67.31292	0.7
68.99783	3.9
69.03416	1.0
70.06590	4.4
71.40046	0.7
72.08150	100.0
73.08491	0.7
79.05469	1.1
81.03411	2.3
81.07056	1.3
84.04496	1.5
84.08143	1.9
85.02908	1.7
86.09702	27.1
91.05447	0.8
93.07014	0.6
95.08606	2.2
97.06538	2.1
100.07609	1.3
101.06027	1.3
110.07184	1.8
111.07977	0.6
112.07604	0.7
112.84863	0.7
114.09178	1.4
120.08149	0.9
121.10255	0.7
123.00791	1.1
123.08047	2.0
127.03892	0.9
130.06509	1.2
131.06422	1.8
132.10188	6.7
135.04413	1.2
137.02441	0.9
139.98996	0.8
140.03407	2.5
141.04807	10.4
141.09055	0.9
143.11786	65.4
152.08192	0.8
157.13361	8.1
158.00027	11.0
169.01318	1.0
171.11275	27.6
173.92189	0.7
183.03044	0.9
185.00847	2.4
185.12848	3.0
188.07112	0.7
193.12195	1.0
195.09221	1.1
200.03069	10.3
203.13860	3.4
210.14996	0.9
231.17033	2.6
244.07443	0.9
257.04742	0.9
261.04257	0.8
275.26389	0.7
285.03937	1.1
286.16367	0.8
287.04950	2.3
300.50995	0.7
302.03943	2.5
302.07156	1.5
302.15167	0.8
302.19193	1.0
303.05438	18.7
303.13773	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	0.5
70.03882	1.3
83.15218	0.4
93.26645	0.4
98.22747	0.6
98.97562	2.5
101.00903	2.1
116.10880	0.4
116.98593	1.2
119.01905	6.9
120.01919	0.5
134.99684	0.6
137.02962	1.2
158.99883	1.2
159.99876	0.6
177.00922	12.3
178.01036	2.9
179.00685	1.1
183.02875	0.9
201.00949	2.1
205.02264	0.5
205.18596	0.5
217.04076	2.2
218.04008	0.4
219.01968	21.3
220.02063	5.2
221.01717	3.3
225.00934	2.2
226.01041	0.5
236.68068	0.4
241.31219	0.5
243.01959	8.5
244.02045	3.1
245.01767	0.7
261.03009	100.0
262.03143	28.4
263.02811	5.5
277.01031	0.5
278.97699	0.5
279.00653	1.8
281.00266	0.5
283.00027	0.9
284.99899	3.5
285.04642	1.1
298.97952	0.5
301.01004	1.6
302.97568	0.9
303.00867	5.8
303.05774	4.1
304.00751	0.5
304.05255	1.0
320.98087	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Delphinidin
Peak:m/z	Relative Intensity
52.48062	0.1
68.99778	0.6
70.53485	0.2
79.05480	0.2
83.01313	0.1
85.02898	0.1
89.03908	0.6
94.55196	0.1
95.01333	1.3
107.04926	0.2
115.05457	0.1
117.03381	0.8
123.00782	8.0
124.01093	0.2
131.04906	0.1
135.04402	4.7
137.02359	1.1
137.03401	0.2
141.01814	0.6
147.04379	0.2
151.00233	0.5
155.04916	0.2
161.02316	0.2
169.01314	3.8
173.05971	0.3
183.04411	0.3
187.03972	0.2
201.05507	0.2
211.03906	0.4
229.05003	0.5
231.59103	0.1
237.40170	0.1
239.03400	0.4
257.04446	1.7
261.03964	0.5
275.05362	0.1
285.03946	3.1
285.07126	0.2
286.04199	0.2
302.04199	0.2
303.04953	100.0
304.05304	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	303.0498
Annotation	Delphinidin
Peak:m/z	Relative Intensity
53.18484	0.1
54.46197	0.1
55.05499	0.1
67.05512	0.2
68.99785	1.7
71.00639	0.2
71.01344	0.3
77.61443	0.1
79.05482	0.4
81.03379	0.2
81.07037	0.3
81.63734	0.1
82.24931	0.1
82.96252	0.1
85.02895	0.3
89.03902	1.1
91.05477	0.2
93.07030	0.2
95.01319	1.0
95.04968	0.2
95.08595	0.4
97.06537	0.2
103.05466	0.1
107.04967	0.6
107.08595	0.2
109.10165	0.1
113.00011	0.2
113.02328	0.4
115.05447	0.1
117.03360	1.2
117.07018	0.2
119.01230	0.1
119.04928	0.2
119.08592	0.3
121.02813	0.1
121.06503	0.2
121.10069	0.1
123.00781	3.9
124.43813	0.1
127.01555	0.4
131.04906	0.2
131.08592	0.1
133.10147	0.1
135.04408	6.2
135.07915	0.2
137.02344	2.4
137.03433	0.3
139.00244	0.4
141.00818	0.1
141.01828	0.5
145.06573	0.1
147.04414	0.3
151.00262	0.5
155.04884	0.5
155.06033	0.1
159.04454	0.2
159.11720	0.2
161.02347	1.0
163.03825	0.1
165.11317	0.1
166.99843	0.1
167.90984	0.1
169.01315	8.1
170.01643	0.2
173.05962	0.3
177.05515	0.1
183.02989	0.2
183.04468	0.4
185.00804	0.2
185.76538	0.1
187.02357	0.3
187.03914	0.2
201.00316	0.3
201.05431	0.4
205.04962	0.2
211.03909	0.5
215.03371	0.1
229.04996	0.7
233.04330	0.1
238.04874	0.1
239.03436	0.2
247.05962	0.2
257.04462	1.8
258.05057	0.2
261.03842	0.5
275.04703	0.2
285.00967	0.2
285.03937	1.7
286.04532	0.2
288.05103	0.1
293.26840	0.1
301.59885	0.1
302.04184	0.3
303.04950	100.0
304.05301	4.4
304.08804	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	303.0499
Annotation	Isoetin
Peak:m/z	Relative Intensity
51.07883	1.1
55.76907	1.0
68.75071	1.0
68.99786	72.4
70.00121	1.2
70.06591	1.6
70.99825	1.6
71.01349	1.7
77.03945	2.4
84.04505	1.5
87.00816	6.9
88.11349	1.3
91.05482	4.8
95.01269	2.4
103.05463	2.7
105.03380	3.3
107.04956	7.1
113.02364	2.7
114.05503	2.6
115.00284	3.1
115.05485	1.5
119.04947	9.2
121.06506	35.8
123.00817	5.9
123.04410	1.8
124.04821	1.2
130.99741	1.4
131.04893	2.9
133.02856	3.1
135.04382	2.3
137.02353	1.1
137.05942	1.4
138.96500	1.2
139.00262	3.5
141.01814	1.6
142.02596	1.4
142.04999	2.0
143.27077	1.1
147.04401	25.9
151.00259	2.4
151.03929	3.6
155.04913	2.3
157.06529	1.7
159.04428	1.6
161.02324	4.7
161.05978	1.9
163.03912	2.6
166.99774	1.3
168.00560	2.1
168.02979	1.6
169.01320	70.0
170.01506	1.2
171.04442	2.6
182.99304	1.5
183.02863	5.3
185.00830	4.7
186.01465	1.6
187.02419	1.6
187.03888	33.1
201.00290	100.0
202.00764	1.6
203.03262	1.7
211.03876	2.5
215.03413	6.9
227.13483	1.2
229.04933	3.3
231.02917	1.6
233.04402	6.1
237.60193	1.2
239.03392	3.4
241.04834	2.7
243.02901	4.3
257.04413	46.1
259.06192	1.6
261.03925	9.3
266.37064	1.2
285.03894	28.5
303.04968	94.8
303.08102	3.8
304.05301	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	303.0499
Annotation	Delphinidin
Peak:m/z	Relative Intensity
53.00275	0.2
53.00977	0.2
55.01860	0.2
56.46734	0.2
57.03432	0.2
68.99788	1.3
69.32939	0.5
70.57420	0.2
71.01328	0.2
72.71091	0.1
77.03909	0.3
79.05500	1.6
85.02880	0.6
91.05469	0.2
92.14910	0.1
95.01311	1.0
95.04963	0.7
95.05875	0.2
96.00375	0.2
98.22773	0.3
105.04526	0.2
105.47164	0.2
107.04947	11.2
108.05289	0.3
113.02332	0.8
119.04904	0.3
121.02833	0.3
123.00782	3.7
129.17619	0.1
131.04915	0.3
133.02834	0.2
135.04411	4.1
137.02321	1.2
139.00250	0.9
141.01788	0.5
146.37239	0.2
147.04333	0.2
151.00266	0.7
155.04887	0.1
157.06439	0.2
168.00562	0.5
169.01312	45.7
170.01678	1.0
173.06001	0.2
183.02867	1.0
183.04300	0.2
185.00816	0.5
186.01649	0.3
187.03970	0.3
229.04909	0.4
247.05879	0.2
253.04993	0.2
257.04419	1.5
261.03955	0.4
285.03909	1.8
303.04959	100.0
304.05304	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Tan 931
Peak:m/z	Relative Intensity
55.64060	1.2
68.99422	1.9
68.99788	32.1
69.03418	2.3
69.69436	3.9
71.01342	3.4
79.05488	1.4
81.07043	2.1
85.02889	7.6
89.02379	2.8
91.05476	3.0
95.01317	4.2
95.05010	1.0
95.08593	1.2
103.05461	8.0
105.07013	2.8
107.04967	5.4
112.01573	1.6
113.02365	16.3
119.04939	23.7
120.05230	1.3
121.02859	13.2
121.06506	1.8
123.00780	5.8
131.04918	37.7
132.05324	1.3
135.04428	1.1
137.02316	3.2
139.00256	34.5
140.00777	1.0
140.74615	0.9
142.97913	1.1
143.04868	2.1
147.04393	3.4
151.00172	1.0
153.01819	1.2
155.03447	1.4
155.04887	1.9
157.01292	3.0
157.06442	3.5
166.99765	2.4
168.00534	13.8
169.01314	31.4
169.02678	1.3
171.04417	3.7
181.01329	4.6
183.02873	32.1
184.03156	1.3
184.30191	1.2
185.00789	2.8
186.01578	5.3
187.03862	1.6
198.96809	1.1
199.02412	3.6
201.00291	2.2
201.05444	1.5
211.03868	3.6
213.05403	3.5
216.98108	2.5
217.03406	5.0
229.04910	4.7
239.03362	8.9
241.05009	6.2
241.08647	2.8
251.06461	1.0
257.04428	100.0
258.04770	4.5
259.05884	3.6
285.03918	76.3
285.07089	3.6
286.04266	2.7
288.05417	1.6
303.04944	72.2
303.08438	17.7
303.19772	1.5
303.23212	2.0
304.05222	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Isoetin
Peak:m/z	Relative Intensity
55.01864	0.3
57.34420	0.2
66.81793	0.2
67.24350	0.3
68.99787	12.1
69.54401	1.2
71.01335	0.5
72.08138	1.5
72.53020	0.2
73.08469	0.4
79.05470	0.7
81.15509	0.2
85.02924	0.6
87.00842	0.3
90.52024	0.2
91.05484	0.4
95.01327	2.3
95.04949	0.4
103.05465	1.4
105.03384	0.4
107.04939	5.7
111.03204	0.3
113.02351	1.0
115.00285	0.5
115.05445	1.2
117.03411	0.4
121.06528	1.3
123.00782	7.7
123.01659	0.6
128.06203	0.3
131.04895	1.0
133.02867	0.3
135.04393	4.1
137.02333	1.8
137.05956	0.8
139.00253	1.2
140.03416	2.1
141.00803	0.3
141.01817	0.9
145.06464	0.3
147.04410	1.8
151.00281	1.4
155.04927	0.5
155.56647	0.2
157.06552	0.4
161.02347	0.6
161.05945	0.4
163.03940	0.6
166.99800	0.5
167.02132	1.3
168.00644	0.5
168.02905	7.4
169.01314	31.9
170.01611	0.5
171.04398	20.5
172.04713	0.3
173.05998	0.6
183.02896	4.2
183.04378	0.5
184.05136	0.3
185.00795	3.2
185.03226	0.7
187.02481	0.3
187.03889	6.2
195.04482	0.4
201.00285	2.0
201.03925	0.6
209.04353	0.4
211.03934	0.6
215.03374	1.2
217.25192	0.3
229.04987	0.8
233.04556	0.6
239.03339	1.7
241.04973	0.5
243.03024	0.4
257.04431	10.3
258.04700	0.4
261.03909	1.6
267.02945	0.4
275.04889	0.3
284.05508	1.7
285.03806	19.8
285.06433	3.4
285.22507	0.3
286.04288	0.8
286.07004	0.5
299.64899	0.3
303.04959	100.0
304.05283	3.3
304.08234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Delphinidin
Peak:m/z	Relative Intensity
68.99787	1.1
70.70886	0.3
79.05504	1.2
81.07162	0.2
85.02900	0.6
95.01337	1.3
95.04920	0.4
96.57346	0.2
107.04951	7.1
113.02348	0.7
119.04922	0.4
121.02884	0.4
123.00784	5.7
135.04401	2.3
137.02345	1.3
139.00241	1.1
141.01819	0.6
142.31937	0.2
151.00270	2.5
168.02919	0.2
169.01317	42.7
170.01642	0.8
171.04434	0.3
173.06071	0.3
183.04451	0.2
187.03873	1.1
212.33832	0.2
229.05003	0.3
239.03433	0.4
257.04422	4.1
277.93756	0.3
285.03903	3.4
303.04965	100.0
304.05304	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	303.05
Annotation	Tan 931
Peak:m/z	Relative Intensity
55.99920	0.5
63.82639	0.6
65.03900	0.7
68.99787	36.8
69.36504	2.3
69.36922	0.9
71.01323	0.8
73.40712	0.6
77.97695	0.5
91.05476	10.0
95.01328	3.3
95.51221	0.7
98.22741	0.9
107.04947	0.6
111.00777	2.3
115.05459	1.6
119.04946	9.9
121.02863	11.3
123.00770	3.3
131.04890	1.2
139.00256	52.7
140.00569	1.2
141.01778	1.0
143.04910	2.2
145.02814	0.7
145.06445	0.7
155.04854	1.6
157.01334	1.9
157.06461	3.6
166.99756	3.1
169.01314	1.3
169.02698	1.0
171.04402	2.2
173.05956	0.6
183.04462	1.0
185.00763	4.2
187.03995	3.1
211.03860	2.5
213.05467	3.7
229.04942	3.3
239.03392	8.2
241.04912	7.8
246.15892	0.6
257.04434	100.0
258.04724	3.8
259.06091	4.9
285.03918	91.4
286.04297	4.9
303.04971	21.9
303.08505	0.9
303.19595	0.6
303.43259	0.6
304.05502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Delphinidin
Peak:m/z	Relative Intensity
50.71064	0.4
57.01948	0.3
61.25509	0.4
64.28602	0.4
68.99770	0.7
70.17847	0.9
75.26190	0.3
77.03925	0.4
79.05477	1.4
85.02886	0.7
93.49487	0.3
95.01324	2.2
102.14659	0.5
107.04247	0.8
107.04953	9.7
109.98093	0.4
113.02373	0.5
123.00781	5.9
134.58025	0.3
135.04408	2.8
137.02338	1.6
141.01830	0.9
151.00238	3.0
154.85658	0.4
169.01320	52.7
170.01714	1.1
209.04347	0.4
229.05061	0.5
257.04465	1.0
264.08762	0.4
275.05478	0.5
285.03763	1.1
303.04971	100.0
304.05338	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	303.049
Annotation	Delphinidin
Peak:m/z	Relative Intensity
59.49738	0.2
68.99784	1.7
69.26510	0.7
70.84570	0.2
71.01366	0.2
77.03938	0.4
79.05488	1.1
81.03381	0.2
85.02898	0.5
95.01334	1.5
95.04968	0.5
98.23424	0.4
105.03365	0.3
105.04482	0.2
107.04955	8.7
113.02361	0.7
123.00786	5.2
123.01656	0.3
128.06525	0.2
131.04852	0.3
135.04410	2.7
137.02342	1.6
137.06062	0.2
139.00235	0.3
141.01814	0.6
142.02757	0.2
151.00250	3.1
161.02388	0.2
161.05986	0.2
168.02917	0.7
169.01320	47.4
170.01672	0.6
171.04472	0.3
173.05957	0.3
183.02878	0.3
183.04353	0.2
185.00752	0.6
187.03979	0.9
193.69547	0.2
215.03308	0.3
229.04955	0.2
233.04459	0.3
239.03459	0.2
243.02919	0.4
254.77742	0.2
257.04388	1.7
261.03922	0.6
275.05237	0.3
284.05548	0.2
285.03702	1.5
285.06137	0.9
286.04382	0.3
303.04974	100.0
304.05322	4.3
304.20206	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	303.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15227	0.6
55.05501	1.2
56.96561	37.6
60.61970	0.8
62.84814	0.6
67.57597	0.9
68.99776	1.2
69.07045	1.0
70.06580	3.2
70.79202	0.8
72.08162	6.5
74.97617	1.1
84.04499	1.0
84.08142	4.8
86.09698	11.5
97.02891	0.9
97.99227	1.0
98.97570	13.6
100.61273	0.8
101.05982	0.7
110.07145	0.9
114.60262	0.7
116.98623	8.1
128.10722	1.8
129.10191	1.9
130.08638	1.7
132.08093	3.8
134.99611	4.6
144.96890	0.8
147.11269	1.3
168.26149	0.7
171.04379	0.8
174.02271	25.7
175.11830	0.7
183.02867	1.3
185.16479	2.3
188.03801	6.9
192.03313	44.7
193.03671	1.0
199.05594	1.1
204.03310	2.1
206.04871	14.0
207.02086	1.0
210.04355	6.8
213.15979	0.8
215.04900	19.3
216.03320	1.0
216.05199	1.3
217.06468	16.6
220.02809	2.9
222.04382	3.5
224.05933	2.4
229.02850	2.2
231.04404	1.9
233.05992	13.2
235.07515	13.9
235.09801	0.5
236.02325	1.1
238.03802	1.6
240.05470	1.3
243.04309	8.6
247.03951	2.1
249.05453	1.4
258.04376	2.7
261.05453	100.0
262.05734	3.7
270.92905	0.8
276.05484	1.9
279.06506	68.6
280.06964	1.6
284.07056	1.6
285.03961	1.3
286.03894	1.1
302.21408	1.4
303.06509	3.6
303.10452	6.3
303.14059	12.2
303.21274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0859
Annotation	Oresbiusin
Peak:m/z	Relative Intensity
53.03918	0.4
57.03425	0.8
62.02390	0.4
68.99782	6.0
69.03417	5.0
71.00997	0.7
71.01352	9.5
79.05488	0.7
81.03411	1.1
85.02898	23.6
89.02390	4.1
91.05466	1.8
91.62714	0.4
93.07024	0.6
95.01323	11.1
95.04945	1.4
95.05551	0.5
97.02888	0.6
98.23467	0.9
99.00822	0.5
102.04666	0.5
103.05458	19.9
104.05841	0.5
105.07033	5.0
107.01304	2.2
107.04955	4.1
109.02895	1.3
112.01579	0.7
113.02360	43.0
114.02641	0.7
117.03387	0.5
119.04954	1.7
119.08611	0.7
121.06540	0.7
123.00755	2.8
125.02350	1.3
127.00301	0.6
127.03954	0.6
131.03349	3.9
131.04916	100.0
132.05243	2.6
135.00793	0.9
135.04398	1.2
137.02330	8.6
138.02617	0.5
139.00262	3.9
140.01001	1.0
141.01796	0.5
145.03999	0.4
145.06485	0.7
147.04428	2.7
149.04414	0.6
151.00287	1.3
151.07509	1.2
153.01859	2.7
155.03378	6.2
157.01320	7.1
157.06567	0.5
168.00517	9.9
169.01314	20.6
171.02861	1.4
173.05952	0.8
177.05458	0.6
181.01309	11.0
183.02878	28.3
184.03220	0.4
185.00764	0.5
186.01547	4.9
187.03889	0.8
199.02351	12.0
199.04103	0.7
200.02704	0.6
201.00278	1.7
201.03915	3.4
201.05534	0.9
213.05508	0.6
217.03404	14.3
229.04942	0.9
241.04932	0.6
241.08578	6.9
242.09018	0.6
243.06497	2.2
247.05769	0.5
257.04382	5.7
267.06592	0.8
285.03918	5.3
285.07553	4.8
288.05310	2.4
303.04962	58.5
303.08505	23.6
304.05295	2.8
304.08768	1.1
320.40784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	5,7,4'-Trihydroxy-6-methoxyflavanone
Peak:m/z	Relative Intensity
54.01071	0.2
55.01865	0.7
56.02641	0.8
57.03418	0.2
65.03924	0.3
66.01080	0.3
67.01853	0.5
68.99783	3.2
69.03416	0.7
69.29886	0.7
70.00543	0.3
71.01346	0.7
84.02123	2.4
85.02891	0.5
87.04415	0.2
91.05480	3.4
95.01323	0.6
95.04987	0.8
97.67448	0.2
99.00814	1.8
99.04433	0.5
100.01585	1.1
107.04938	1.5
107.08559	0.2
109.02858	0.2
111.00739	0.2
112.01579	6.1
117.49250	0.1
119.04942	7.9
120.05740	0.3
121.02856	0.8
121.06480	0.8
123.00758	0.6
123.04429	0.8
127.00285	2.7
127.03870	0.4
137.02357	0.8
139.00258	1.1
139.99924	0.2
140.01041	7.4
147.04399	14.0
148.04732	0.4
154.99747	0.7
155.03447	0.8
166.99725	0.2
168.00534	48.7
169.01015	1.3
183.02881	100.0
184.03229	2.1
185.00795	0.4
186.01587	25.0
187.01981	0.4
189.05432	0.3
201.00217	0.4
201.03926	7.9
202.04366	0.3
209.04469	0.2
211.03883	0.2
229.05019	0.4
239.03372	0.3
241.05005	0.3
245.04446	0.2
250.90762	0.2
257.04431	2.5
258.04907	0.2
261.07480	0.5
270.05374	0.2
285.03915	2.1
287.05502	0.2
288.05850	0.6
303.08600	46.4
304.08887	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	303.0863
Annotation	6-Methoxynaringenin
Peak:m/z	Relative Intensity
55.01871	0.5
56.02649	0.4
68.99781	2.2
69.03415	0.4
69.05008	1.9
71.01356	0.6
79.05486	0.8
80.01424	0.3
81.07056	0.4
84.02125	1.8
85.02916	0.7
86.33542	0.3
91.05479	2.8
95.01321	1.2
95.04964	0.5
95.08636	0.5
99.00839	1.7
100.01581	0.5
107.04951	6.6
112.01581	5.2
114.14846	0.4
117.07007	0.5
119.04943	6.8
121.02776	0.4
121.06479	1.0
123.00784	1.3
123.04452	1.0
127.00264	2.1
127.03944	0.4
135.04424	2.2
137.02322	1.1
137.05988	0.4
139.00261	0.6
140.01042	6.7
141.06963	0.4
142.07758	0.5
143.08568	0.7
145.06395	0.4
147.04408	13.6
147.08015	0.3
151.00221	0.4
153.05449	1.3
154.07753	0.5
157.06432	0.3
157.10136	1.1
161.05945	1.0
162.06773	0.5
163.07539	11.0
168.00540	44.0
169.01324	20.7
170.01678	0.5
175.07494	0.8
179.07010	0.8
181.08589	5.5
183.02887	100.0
184.03191	2.1
185.00815	1.2
185.09470	0.4
186.01593	20.7
187.07603	0.3
189.09091	2.2
201.03917	4.7
201.09036	0.6
203.10655	4.7
207.10147	1.2
207.65561	0.4
215.10719	2.2
221.11722	8.9
229.12259	0.4
233.03806	0.3
233.11740	2.0
238.27661	0.3
257.04440	0.7
261.07605	0.6
270.16214	0.5
285.03848	1.1
285.06955	0.4
285.18509	4.3
288.06052	0.6
303.04932	33.5
303.08569	56.7
303.19461	2.2
304.05325	2.1
304.08920	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.9
63.43846	0.8
65.48571	0.7
68.99786	30.9
69.49222	1.4
69.49593	2.6
71.01351	13.3
76.16895	0.6
77.00282	0.6
80.55905	0.6
81.06999	0.8
85.02893	2.6
91.05486	7.3
93.07070	0.9
95.01317	1.9
95.04941	0.9
99.00807	0.9
101.28329	0.8
103.05468	27.6
104.05800	0.9
104.99744	8.5
105.07024	22.4
106.07344	0.7
107.04948	1.2
111.00817	4.0
113.02357	3.9
119.04923	6.6
121.02859	12.7
123.00800	1.9
129.06967	0.8
131.04918	100.0
132.05251	2.6
137.05991	1.1
139.00253	74.3
140.00606	1.6
141.01857	0.8
147.04408	1.1
153.01793	3.7
155.04872	1.6
157.01314	34.4
157.06456	1.5
158.01680	1.0
158.62589	0.8
163.03935	1.4
163.07561	1.0
166.99745	13.3
168.00502	2.1
169.01314	6.0
169.02628	1.2
169.06573	0.8
171.02876	6.1
171.04340	1.5
173.05957	2.0
181.01306	29.7
183.02892	11.1
183.08118	1.2
185.00763	7.0
187.03899	1.5
197.05908	1.2
198.01321	0.6
199.02359	15.5
201.05556	1.1
205.04845	0.9
211.03958	0.8
211.07657	0.8
213.05594	1.2
215.07021	1.1
217.03497	11.8
225.05574	3.3
225.07478	0.6
229.04959	1.2
239.03424	2.7
240.83635	0.7
241.04826	3.4
243.06506	27.2
244.06924	0.7
257.04431	56.8
258.04904	3.0
259.05939	1.4
271.06015	1.3
271.09552	0.7
285.03922	62.7
285.06918	2.1
285.18597	0.9
286.04248	3.2
303.04987	34.5
303.08466	7.9
303.12186	1.1
303.15967	0.8
303.19510	1.2
304.05197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	Oresbiusin
Peak:m/z	Relative Intensity
50.08131	0.7
57.03429	1.9
67.05505	0.9
68.99782	6.1
69.03429	6.3
69.32191	3.7
69.32582	1.2
71.01353	7.3
81.03382	1.0
81.07040	0.8
85.02902	25.3
85.91975	0.8
89.02406	3.2
91.05476	1.5
95.01328	13.6
95.04948	0.9
103.05462	23.5
105.07054	5.7
107.01324	2.0
107.04939	2.6
109.02866	1.5
112.01536	0.8
113.02361	44.1
114.02671	1.2
117.24085	0.6
119.04917	2.0
121.02814	0.6
123.00774	1.9
125.02329	1.6
130.82111	0.7
131.03345	3.2
131.04918	100.0
132.05234	4.0
137.02332	8.3
139.00244	4.8
140.01074	1.1
147.04395	2.8
151.00261	0.8
153.01817	3.1
155.03410	5.1
157.01314	5.7
168.00537	7.7
169.01326	11.3
171.02950	0.9
181.01308	10.8
183.02878	24.0
186.01588	4.0
199.02364	10.8
201.05453	0.9
206.31935	0.7
213.09010	1.0
217.03378	13.8
217.57845	0.9
218.03781	0.9
241.08546	7.7
243.06560	1.9
257.04465	7.4
258.04791	0.8
267.06299	0.8
285.03897	6.8
285.07553	4.5
288.05215	1.4
303.04953	28.8
303.08557	26.5
304.05310	1.9
304.08786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05488	1.1
56.01393	0.4
56.05017	0.3
57.07079	2.3
57.99565	0.3
59.04974	1.1
59.39205	0.3
61.00875	0.3
61.01144	4.1
61.63095	0.3
65.03939	1.3
67.01854	0.3
67.05502	2.8
68.99785	25.9
69.03070	0.3
69.03423	5.2
69.07042	0.9
69.79543	1.1
70.02933	0.8
70.06590	1.4
71.01337	1.0
71.04961	0.7
72.04511	14.5
72.08096	0.4
72.55080	0.3
73.02920	1.9
78.03767	1.2
78.04179	0.3
79.05461	1.0
81.03405	1.5
81.07051	1.5
83.04961	0.5
83.08585	0.3
84.04463	0.4
84.08131	0.5
85.02910	1.9
85.06532	4.9
86.09709	1.6
87.05563	0.3
87.10014	0.3
88.02212	14.6
88.37853	0.3
89.03878	0.3
91.05476	2.8
93.03384	1.1
93.07012	1.3
94.06529	0.4
95.01322	9.4
95.04962	3.1
95.08585	1.2
96.08084	0.8
97.02907	0.6
97.06537	0.4
98.02397	1.4
98.06028	0.7
99.00804	0.5
99.05573	17.0
99.08070	0.5
100.03946	0.9
102.03716	0.3
103.02161	11.4
103.05468	0.6
103.07554	0.5
104.01684	0.5
105.06982	0.8
107.04935	1.5
107.08559	0.5
109.02863	1.8
109.06495	0.3
110.05996	0.3
110.07153	0.4
110.20341	0.2
111.00777	0.9
111.03143	0.4
111.04433	1.4
112.03907	0.6
112.07587	1.0
112.38072	0.3
113.02367	4.7
113.05994	5.6
114.03754	5.1
114.05515	0.6
114.09161	0.4
115.03971	0.4
115.05041	0.8
116.07066	0.9
117.04804	0.4
119.04908	2.2
119.08555	0.4
120.04803	0.7
120.08093	0.4
121.02859	1.6
121.04003	0.3
121.06496	14.1
121.10114	0.5
123.00769	1.1
124.07579	4.4
125.07109	2.9
127.03954	0.7
130.03185	0.9
130.08641	2.5
131.08508	0.3
132.04774	17.7
132.08069	0.3
133.10098	0.4
135.04404	0.8
137.01280	0.4
137.02335	7.1
137.05960	5.2
138.05481	3.4
139.00241	3.5
140.02374	0.4
140.03412	3.3
141.01817	0.8
141.04800	0.5
141.06551	2.1
142.08620	18.5
143.08855	0.5
145.10175	0.5
147.03290	0.5
147.04402	7.3
148.04727	0.3
153.01839	0.3
154.25951	0.3
155.03397	2.1
155.04579	0.4
157.01299	0.6
158.02693	1.3
159.05861	27.6
159.11583	0.3
160.09572	0.5
161.06021	0.3
163.03888	0.8
165.01785	1.5
165.06956	0.3
165.08586	0.4
166.08621	0.9
166.99710	1.5
167.02048	1.7
168.02913	16.5
169.01312	1.4
173.13287	0.5
174.05821	3.9
175.03922	0.5
175.05344	5.9
177.06937	0.3
183.02876	68.4
184.03282	1.9
184.08031	0.4
184.09669	7.5
185.00804	16.9
185.03136	1.7
186.01143	0.3
187.03801	0.6
189.05403	0.5
191.03456	0.3
191.08432	0.5
201.03937	20.4
201.06824	6.8
203.03484	0.4
203.10718	0.6
209.04420	7.8
211.03888	0.5
219.02896	0.7
229.04919	0.4
239.03203	0.4
243.11644	1.6
247.05843	0.5
257.04404	2.2
261.12674	2.5
273.12610	0.4
275.05438	0.9
285.03906	5.2
285.07263	0.5
285.12625	1.1
285.22110	1.1
286.04449	0.4
303.04956	12.4
303.08423	6.0
303.13824	100.0
304.05264	0.5
304.08218	1.4
304.14163	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05488	1.1
56.01393	0.4
56.05017	0.3
57.07079	2.3
57.99565	0.3
59.04974	1.1
59.39205	0.3
61.00875	0.3
61.01144	4.1
61.63095	0.3
65.03939	1.3
67.01854	0.3
67.05502	2.8
68.99785	25.9
69.03070	0.3
69.03423	5.2
69.07042	0.9
69.79543	1.1
70.02933	0.8
70.06590	1.4
71.01337	1.0
71.04961	0.7
72.04511	14.5
72.08096	0.4
72.55080	0.3
73.02920	1.9
78.03767	1.2
78.04179	0.3
79.05461	1.0
81.03405	1.5
81.07051	1.5
83.04961	0.5
83.08585	0.3
84.04463	0.4
84.08131	0.5
85.02910	1.9
85.06532	4.9
86.09709	1.6
87.05563	0.3
87.10014	0.3
88.02212	14.6
88.37853	0.3
89.03878	0.3
91.05476	2.8
93.03384	1.1
93.07012	1.3
94.06529	0.4
95.01322	9.4
95.04962	3.1
95.08585	1.2
96.08084	0.8
97.02907	0.6
97.06537	0.4
98.02397	1.4
98.06028	0.7
99.00804	0.5
99.05573	17.0
99.08070	0.5
100.03946	0.9
102.03716	0.3
103.02161	11.4
103.05468	0.6
103.07554	0.5
104.01684	0.5
105.06982	0.8
107.04935	1.5
107.08559	0.5
109.02863	1.8
109.06495	0.3
110.05996	0.3
110.07153	0.4
110.20341	0.2
111.00777	0.9
111.03143	0.4
111.04433	1.4
112.03907	0.6
112.07587	1.0
112.38072	0.3
113.02367	4.7
113.05994	5.6
114.03754	5.1
114.05515	0.6
114.09161	0.4
115.03971	0.4
115.05041	0.8
116.07066	0.9
117.04804	0.4
119.04908	2.2
119.08555	0.4
120.04803	0.7
120.08093	0.4
121.02859	1.6
121.04003	0.3
121.06496	14.1
121.10114	0.5
123.00769	1.1
124.07579	4.4
125.07109	2.9
127.03954	0.7
130.03185	0.9
130.08641	2.5
131.08508	0.3
132.04774	17.7
132.08069	0.3
133.10098	0.4
135.04404	0.8
137.01280	0.4
137.02335	7.1
137.05960	5.2
138.05481	3.4
139.00241	3.5
140.02374	0.4
140.03412	3.3
141.01817	0.8
141.04800	0.5
141.06551	2.1
142.08620	18.5
143.08855	0.5
145.10175	0.5
147.03290	0.5
147.04402	7.3
148.04727	0.3
153.01839	0.3
154.25951	0.3
155.03397	2.1
155.04579	0.4
157.01299	0.6
158.02693	1.3
159.05861	27.6
159.11583	0.3
160.09572	0.5
161.06021	0.3
163.03888	0.8
165.01785	1.5
165.06956	0.3
165.08586	0.4
166.08621	0.9
166.99710	1.5
167.02048	1.7
168.02913	16.5
169.01312	1.4
173.13287	0.5
174.05821	3.9
175.03922	0.5
175.05344	5.9
177.06937	0.3
183.02876	68.4
184.03282	1.9
184.08031	0.4
184.09669	7.5
185.00804	16.9
185.03136	1.7
186.01143	0.3
187.03801	0.6
189.05403	0.5
191.03456	0.3
191.08432	0.5
201.03937	20.4
201.06824	6.8
203.03484	0.4
203.10718	0.6
209.04420	7.8
211.03888	0.5
219.02896	0.7
229.04919	0.4
239.03203	0.4
243.11644	1.6
247.05843	0.5
257.04404	2.2
261.12674	2.5
273.12610	0.4
275.05438	0.9
285.03906	5.2
285.07263	0.5
285.12625	1.1
285.22110	1.1
286.04449	0.4
303.04956	12.4
303.08423	6.0
303.13824	100.0
304.05264	0.5
304.08218	1.4
304.14163	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	Oresbiusin
Peak:m/z	Relative Intensity
53.00319	0.8
53.03926	1.1
57.03426	0.8
68.99423	0.8
68.99786	9.2
69.03426	19.2
69.07080	0.4
71.17543	0.5
85.02893	0.8
91.05482	1.2
92.99763	1.1
93.07016	0.4
95.01308	1.7
99.88345	0.4
101.05988	0.4
103.05453	1.6
105.03394	0.8
105.07027	5.4
115.05473	0.5
119.04967	0.8
121.02855	1.1
123.00752	0.7
125.02346	15.4
129.03358	1.0
130.24095	0.3
131.04921	5.3
139.00273	3.8
141.06956	1.0
142.99788	0.4
147.04391	3.2
153.01820	44.3
154.02107	0.9
166.99742	1.6
168.00536	0.7
168.02916	0.8
169.01308	4.4
169.06480	1.7
170.99278	0.4
171.02896	9.6
171.04295	0.8
177.09166	0.6
179.03357	0.5
181.01291	2.3
183.02858	1.7
185.00826	0.8
186.01552	0.5
197.05922	1.2
199.02368	100.0
200.02707	2.7
201.00389	0.4
203.10648	1.2
211.03888	0.5
213.05434	0.8
215.10619	0.6
216.99832	0.7
225.05423	5.6
226.05807	0.4
229.05020	0.5
229.08591	2.6
239.03360	0.5
241.04948	0.7
257.04434	11.5
257.08047	8.5
258.04742	0.6
258.08377	0.6
267.06540	0.5
270.05200	1.5
272.17709	0.8
285.03946	5.4
285.07544	18.4
286.04758	0.4
286.07831	1.4
288.05191	1.2
303.04935	10.1
303.08105	2.1
303.19516	7.4
304.05310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
56.97129	0.7
58.06599	1.2
59.04996	6.1
67.05492	2.0
68.99792	11.0
69.03418	1.1
69.07033	1.2
70.06555	1.2
71.42171	0.9
72.08155	4.9
73.06541	1.4
79.05480	1.7
81.03397	2.3
81.07021	2.3
84.04510	2.1
84.08143	1.0
85.02882	1.6
86.09711	1.8
87.04464	1.9
89.06028	100.0
90.06360	1.5
90.96741	1.4
91.05464	1.9
93.07060	2.0
95.08637	5.1
97.02883	1.0
97.06520	3.6
102.05518	1.3
103.07580	3.8
104.05295	1.0
107.07048	3.0
110.07138	1.7
113.00021	1.9
114.03747	0.9
121.06461	1.6
123.00774	1.9
123.08049	2.6
127.01565	28.4
127.03905	1.0
127.07497	0.8
133.08603	17.9
135.04419	1.5
137.02354	1.8
137.05952	3.4
138.05533	2.2
139.00301	1.0
139.01526	3.3
141.04808	13.0
141.09111	2.6
145.49734	0.8
146.06090	1.2
147.04385	2.2
151.03893	1.4
152.08215	0.8
153.01804	5.2
153.03102	11.4
159.09091	1.0
166.99702	1.0
169.01314	3.8
177.11259	8.3
183.02846	4.9
183.04305	1.4
185.00832	6.9
188.07014	1.0
195.09064	1.3
197.05701	3.0
200.03104	14.1
203.03311	1.8
205.09743	1.4
229.04918	1.4
257.04373	2.3
259.09329	1.1
261.03955	0.9
285.03915	2.2
285.12347	1.2
303.05020	87.4
303.11954	2.8
303.19565	4.9
303.22589	0.8
304.05301	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1952
Annotation	12-Hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial
Peak:m/z	Relative Intensity
55.05509	1.1
57.07068	3.4
58.06617	0.5
67.05481	1.1
67.25090	0.5
68.99782	4.9
69.07067	3.4
69.65115	1.9
70.06586	4.7
71.08607	1.0
72.08959	0.5
79.05492	0.9
81.07053	1.2
83.04960	0.5
85.10176	0.6
88.07606	4.6
89.07954	0.6
91.05495	2.8
91.66950	0.4
92.99741	0.7
93.07022	1.4
95.08597	3.2
96.14970	0.5
97.06505	0.6
97.10135	0.4
102.09171	1.2
103.05425	0.7
105.03400	0.5
105.07024	1.6
106.08654	2.6
107.04931	1.1
107.08549	0.5
109.10143	1.3
115.05458	0.5
119.04918	1.3
119.08563	1.0
121.02840	1.1
121.06563	0.9
121.10152	1.2
123.00799	0.8
123.11646	0.4
129.06956	0.5
131.04927	1.2
131.08546	1.9
135.08031	2.8
136.08803	0.5
137.05954	2.4
139.00235	3.6
139.11171	0.9
145.06491	0.6
145.10063	0.5
147.04384	1.1
147.08029	1.0
149.09618	0.7
151.07526	1.6
153.12738	0.9
157.06519	0.5
159.08046	3.5
161.09698	0.4
163.07500	2.1
165.09128	2.4
168.02859	0.7
169.01285	5.2
170.10950	0.7
173.09659	1.0
175.07509	0.5
175.11185	0.5
176.08243	0.7
177.09084	13.2
183.02870	0.5
187.07529	6.0
187.11194	0.6
189.09126	2.1
199.11095	0.9
201.00229	0.7
203.10654	13.9
215.10623	4.9
216.11371	0.7
217.12018	0.5
229.12248	0.9
239.03438	0.7
241.04907	0.5
241.27246	0.5
257.04404	11.5
257.15265	0.7
258.04803	0.5
272.17676	11.8
273.18246	1.4
284.29504	1.4
285.03885	6.6
285.18344	0.5
285.29861	0.7
286.04337	0.6
288.05341	0.8
302.30487	16.4
302.41779	0.6
303.04926	10.7
303.19504	100.0
303.30795	18.1
304.19818	4.5
304.30145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1952
Annotation	12-Hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial
Peak:m/z	Relative Intensity
50.02207	0.3
55.05499	0.4
57.07071	1.9
63.51046	0.3
67.05489	0.3
69.07055	1.8
69.51532	1.3
70.06591	3.1
71.08610	0.7
78.46832	0.3
79.05464	0.3
81.07058	1.4
82.49238	0.3
83.08643	0.4
85.10162	0.6
88.07609	3.5
89.07957	0.4
91.05442	0.4
93.07028	0.7
94.80859	0.3
95.08590	1.0
97.10162	0.5
102.07710	0.3
102.09165	1.2
103.05440	0.3
105.06991	0.5
106.08677	2.2
107.08498	0.4
109.10159	0.6
117.08514	0.3
119.08569	0.3
121.06485	0.9
131.08600	0.3
133.10091	0.4
135.11664	0.3
137.05957	2.3
143.08543	0.6
145.06470	1.0
145.10117	0.4
147.08020	0.8
149.13245	0.3
151.07521	1.2
155.08574	0.9
157.06464	0.5
157.10133	0.8
159.08012	1.7
161.05948	0.6
161.09566	0.8
163.07527	1.2
169.10088	0.6
170.10878	1.1
171.07996	0.5
173.09573	1.1
175.07512	1.2
175.11118	0.4
176.08261	1.4
177.09108	2.4
183.08015	0.4
185.09612	0.9
187.07518	8.0
187.11086	0.9
189.09106	3.0
191.10768	0.3
197.09552	0.5
199.11125	0.9
201.09076	1.4
202.09819	0.7
203.10641	23.8
204.10989	1.5
211.00934	0.3
215.10634	8.3
216.11375	1.4
229.12201	2.0
257.15381	1.2
271.16934	0.8
272.17667	16.9
272.56522	0.3
273.18338	2.6
284.29514	0.6
285.18494	0.7
285.29700	0.7
290.20255	0.3
302.30505	11.4
303.19504	100.0
303.30826	13.8
304.19824	5.4
304.31403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82423	0.5
55.01881	0.5
55.05500	2.4
63.64800	0.5
67.01873	0.6
67.05489	1.6
68.99786	5.1
69.07060	0.8
69.74903	1.7
71.01343	0.8
77.03886	0.9
79.05466	3.7
81.07047	1.2
81.68797	0.6
83.08624	1.2
85.02898	1.1
91.05472	3.5
93.07063	1.7
95.01374	1.2
95.04984	1.3
95.08590	1.5
97.10135	0.7
99.00819	1.0
105.07004	2.4
107.04948	15.2
107.05675	0.9
107.08589	1.6
109.10152	2.3
112.01559	2.3
115.05454	2.7
117.07002	2.4
119.04951	3.6
121.02793	0.7
121.06504	1.8
123.00774	2.9
123.04427	1.2
127.00252	0.7
128.06175	1.3
129.06992	3.2
131.04915	0.9
131.08592	0.7
133.10150	0.7
135.04391	8.4
135.08038	1.4
135.11679	0.9
137.02354	1.9
137.05948	1.8
139.00212	1.7
140.01039	4.6
141.07043	1.1
142.07767	2.5
143.04895	0.7
143.08569	2.5
145.06487	1.6
147.04395	7.1
149.05974	0.7
151.07541	0.9
153.05466	4.9
154.07753	2.1
157.06487	1.7
157.10101	6.2
161.05983	4.9
162.06766	2.0
163.07527	49.3
164.07928	1.1
165.09103	1.2
167.08577	0.6
168.00536	22.6
169.01309	55.4
169.10101	2.4
170.01678	1.4
170.06993	0.6
171.08057	1.2
173.05861	1.1
173.09576	0.8
174.06749	2.0
175.07565	3.6
177.09079	1.6
179.07066	3.1
179.08430	0.6
181.08575	24.0
183.02873	48.7
184.03198	1.6
185.00763	1.9
185.09576	3.0
186.01585	10.2
187.01982	0.8
187.07489	2.0
189.09079	8.9
191.10689	0.8
197.09636	0.8
201.03947	1.9
201.09094	2.0
203.10651	22.5
204.10947	0.8
207.10149	4.8
215.10638	11.0
216.10976	1.2
221.11707	43.2
222.12059	0.9
229.12111	2.7
233.11694	9.5
241.12350	1.0
242.12912	1.3
243.13905	0.7
247.13490	0.7
255.13766	1.7
257.04443	3.2
257.15341	1.9
270.16074	4.0
285.03983	2.4
285.18469	18.3
303.04959	100.0
303.08539	29.1
303.19537	10.8
304.05313	6.9
304.08929	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	303.2316
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03945	1.2
55.01850	2.3
55.05507	8.0
57.07058	1.4
59.04984	1.1
60.25100	0.9
67.05167	1.2
67.05497	15.6
68.99786	6.2
69.03406	3.5
69.06745	1.1
69.07065	8.6
69.07697	6.3
71.04990	1.4
71.50386	0.8
76.60959	0.8
77.03889	0.9
79.05489	10.8
81.03397	1.6
81.07047	24.3
83.04952	3.2
83.08600	4.0
86.70496	0.9
89.03901	0.9
91.05466	8.9
93.06451	1.0
93.07033	17.8
95.01308	1.7
95.04955	4.1
95.08592	27.7
97.06523	6.8
97.10130	2.2
102.77444	0.9
105.04478	1.1
105.07025	17.8
107.08586	18.6
109.06492	3.4
109.10149	19.5
111.08041	2.6
117.06994	3.7
119.04909	1.9
119.08567	26.9
119.09415	1.7
120.08100	1.3
121.02870	1.4
121.06472	3.0
121.10136	12.2
123.00780	12.1
123.08050	5.7
123.11698	11.6
125.09616	3.2
125.32712	0.8
129.07008	2.7
130.67862	0.9
131.08543	8.3
133.06448	1.1
133.10117	16.6
135.04384	6.7
135.08035	4.4
135.11694	7.4
137.02295	2.5
137.09604	11.2
137.13268	2.1
139.00233	3.4
139.11066	1.0
141.01840	1.2
141.06934	0.9
141.09172	1.2
142.07726	1.4
143.08528	5.3
144.09302	1.2
145.10118	13.7
147.08060	1.4
147.11661	8.5
149.09583	3.1
149.13235	3.7
151.00253	1.1
151.11168	11.9
151.54675	0.9
155.08510	2.5
156.09309	1.2
157.10130	6.7
158.10817	1.0
159.08009	1.0
159.11690	16.2
161.09599	1.9
161.13248	7.3
163.11229	4.1
163.14787	2.4
165.12785	2.0
168.02855	1.1
169.01280	5.6
169.10115	4.5
170.10829	0.9
171.11691	6.8
173.13228	8.4
175.11198	1.4
175.14842	4.1
177.12744	3.9
177.16335	1.4
179.14270	1.5
183.11659	4.3
185.00792	3.5
185.13223	6.4
187.11244	0.8
187.14815	7.1
189.12712	1.5
189.16449	1.2
191.14340	4.0
193.16110	0.9
196.12465	0.9
197.13298	4.9
199.14796	3.6
201.16367	3.7
203.14302	2.3
203.17995	1.3
205.15857	2.4
206.16637	1.1
211.14861	5.3
213.14554	1.0
213.16319	4.7
215.14279	2.8
215.17906	2.8
217.15842	2.0
219.17407	1.6
225.16367	3.1
227.17932	2.0
229.04767	1.5
229.15781	2.5
231.17365	1.7
239.03375	1.5
239.17914	0.9
241.19492	4.6
243.17371	2.6
245.18982	2.2
247.16949	2.1
257.04385	11.1
257.18887	0.9
257.22617	4.1
258.04852	1.1
259.20569	1.7
261.03928	1.4
267.21097	8.8
273.22076	2.4
285.03885	12.5
285.22098	23.8
286.04144	1.2
286.22507	1.4
288.05261	3.2
303.04935	100.0
303.07407	4.6
303.23126	75.1
304.05301	7.1
304.23538	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	303.2317
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
52.24942	1.1
53.03948	1.8
55.01865	2.9
55.05507	11.1
57.03432	2.6
57.07061	4.6
65.03928	2.3
67.05499	28.9
68.99786	17.0
69.03420	1.7
69.07060	14.4
69.79822	2.4
71.01317	1.1
71.04984	2.4
71.08607	1.5
79.05481	21.0
81.03412	2.4
81.07049	44.7
83.04968	3.7
83.08624	7.1
85.02859	1.2
86.09685	3.5
91.04935	2.2
91.05472	28.2
93.07042	30.5
95.01305	3.0
95.04948	4.9
95.08596	44.7
96.08938	1.2
97.06512	5.2
97.10179	2.4
99.08093	1.8
103.05483	1.5
105.04517	1.8
105.07023	30.8
107.04919	2.0
107.08590	35.2
107.09259	1.2
109.06495	3.7
109.10146	21.8
111.08088	3.6
115.05444	1.9
117.06997	7.4
119.04929	9.8
119.07737	2.1
119.08569	32.1
120.08870	1.4
121.02847	4.5
121.06496	3.0
121.10134	25.5
123.00759	11.3
123.08054	3.2
123.11694	19.1
124.08706	1.0
125.09610	3.9
128.06209	4.3
129.07027	8.4
130.06456	1.0
130.07764	1.8
131.04950	1.7
131.06316	1.1
131.08562	19.2
133.10115	34.7
135.04402	6.1
135.08089	2.2
135.11662	12.3
137.02339	1.8
137.09612	5.1
137.13232	2.7
138.57297	1.3
139.00270	16.9
141.01820	2.4
141.06981	2.8
142.07750	3.5
143.08562	10.4
144.09331	1.9
145.06467	1.4
145.10118	26.7
146.05927	1.4
147.11662	19.2
149.09579	3.2
149.13251	9.0
151.11183	5.2
153.01801	4.7
153.06953	2.7
155.04889	2.0
155.08565	5.4
156.09297	3.8
157.06422	2.1
157.10114	15.6
158.10843	3.3
159.11678	27.6
161.13231	14.0
163.11154	3.7
163.14832	5.0
165.12718	1.8
167.08527	2.1
167.10738	1.2
169.01314	4.8
169.10091	8.5
170.10847	4.5
171.08035	2.3
171.11670	17.4
172.12405	3.4
173.13239	30.2
175.11147	1.1
175.14830	9.4
177.12730	4.7
177.16382	1.7
179.14316	1.6
181.06473	2.8
181.10072	1.5
182.10892	2.7
183.02878	7.2
183.04306	1.6
183.11662	9.4
184.12399	3.0
185.13249	18.1
186.13895	1.7
187.14799	20.3
188.15547	7.4
189.12738	2.2
189.16348	6.6
191.14331	2.6
197.13257	11.4
199.07512	2.6
199.14801	13.3
201.00302	1.4
201.05426	1.3
201.12752	2.2
201.16391	9.1
202.17099	1.5
203.14268	4.2
203.17902	2.7
205.15825	3.8
209.13312	1.3
210.13988	1.6
211.03966	1.7
211.14780	13.7
213.16360	5.6
215.14346	3.9
215.17917	5.2
217.08658	1.3
217.15874	4.1
224.15839	1.3
225.16327	7.1
227.17854	3.4
229.04951	5.7
229.15742	2.7
231.17426	3.0
233.19002	6.0
239.03447	5.1
239.17830	1.9
241.04945	1.7
241.19588	1.8
243.17363	2.9
245.04497	1.6
245.18990	2.8
252.18681	1.9
255.21028	6.2
257.04416	44.9
257.22632	4.0
258.04688	3.2
259.06024	4.8
267.21051	15.9
273.21820	6.5
275.05515	6.1
285.03940	40.8
285.07141	2.4
285.22095	42.5
286.04285	3.0
286.22287	2.3
303.04953	100.0
303.19632	2.9
303.23129	62.5
304.05194	7.4
304.23538	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.01873	3.1
55.05517	17.7
57.03427	2.9
57.07071	4.2
57.90547	1.8
63.31110	2.2
67.05505	30.4
68.99782	28.0
69.07066	18.8
69.11628	9.3
69.12032	6.3
79.05496	25.0
81.07053	57.6
83.04990	5.2
83.08613	8.0
85.06516	2.7
87.74448	1.9
91.05468	27.7
93.07037	46.5
95.01316	2.5
95.04967	6.4
95.08603	49.5
97.06535	9.3
97.10195	3.3
105.07027	47.9
106.07341	2.4
107.08588	39.4
107.09254	3.1
109.06511	5.9
109.10143	31.6
111.08043	2.4
117.07018	7.5
119.04945	12.2
119.08580	37.9
121.02875	7.0
121.06494	4.3
121.10126	37.7
123.00793	13.1
123.08051	5.3
123.11715	30.3
125.09654	3.2
128.06232	3.8
129.07010	5.2
131.08543	16.8
133.10123	42.3
135.04417	7.2
135.11694	22.9
137.09590	3.8
137.13228	2.7
139.00275	19.7
142.07765	4.0
143.08514	12.2
144.09396	3.1
145.10110	25.2
147.04405	3.2
147.11665	23.4
149.13255	11.1
151.11206	3.8
154.07753	2.0
155.04893	1.9
155.08521	5.7
156.09361	6.1
157.10118	16.4
158.10913	4.6
159.11700	30.2
161.13251	16.0
163.11139	3.3
163.14822	3.8
169.01352	5.7
169.10114	10.4
170.10915	4.7
171.11655	20.4
172.25314	2.2
173.13243	26.8
175.14871	10.1
182.10934	2.9
183.02930	4.6
183.11716	11.7
184.12378	3.4
185.00769	2.7
185.13226	16.3
187.14807	15.8
189.16451	3.3
191.14349	3.6
197.13222	11.2
199.14824	9.7
201.00345	6.9
201.16393	8.2
203.14375	3.9
205.16002	2.6
211.03958	2.8
211.14832	7.9
213.16408	6.1
215.14343	5.3
215.17940	8.0
217.15880	5.9
218.29063	2.1
225.16289	3.1
227.17995	5.0
229.15923	4.8
231.17358	2.9
233.19022	7.0
239.03522	4.1
239.18056	3.1
241.04930	2.9
243.17349	3.0
255.21016	6.0
257.04422	50.0
257.22699	4.3
258.04825	3.4
267.21091	13.6
273.22064	4.1
285.03958	35.3
285.22092	41.0
286.04099	2.3
286.22638	2.5
303.04977	100.0
303.23151	38.9
304.05151	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	304.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15445	0.2
55.05489	0.3
58.06594	0.2
58.99184	0.2
67.05482	0.4
68.99422	0.3
68.99780	4.0
69.03423	0.3
69.24408	1.2
70.00096	0.7
70.02917	0.3
70.06561	0.6
72.08147	0.3
79.05453	0.3
80.70879	0.2
81.07038	0.4
84.04482	0.9
84.08069	0.2
85.02858	0.4
88.02206	0.2
91.05460	0.4
93.07040	0.2
94.02910	1.1
95.01314	3.5
95.08597	0.5
96.01623	0.2
98.22718	0.4
104.07095	0.4
105.06997	0.3
112.03965	3.0
113.02397	0.3
121.02833	0.3
121.06474	0.6
121.10141	0.2
122.02353	0.5
122.06861	0.5
123.00762	0.6
123.04353	0.2
131.08472	0.2
131.58015	0.2
137.02333	0.8
137.05945	0.7
138.02628	0.2
138.05414	0.4
138.06296	0.5
139.00258	0.5
140.03409	24.3
141.01859	0.2
141.03807	0.5
145.02832	0.2
146.11748	0.3
147.04370	0.3
148.04692	0.4
152.03401	0.3
159.99765	0.3
160.06152	0.3
163.03857	1.3
165.01750	0.2
168.02901	100.0
169.01308	3.7
169.03230	2.2
183.02873	3.1
184.03224	2.9
184.95702	0.2
185.00803	2.0
185.03212	0.3
186.01125	1.5
201.03879	0.7
202.04219	0.7
203.09186	0.2
210.04726	0.5
251.06026	0.2
262.07065	0.6
268.03366	0.2
286.04169	0.8
286.07059	0.2
286.23798	0.3
287.05328	0.2
287.45993	0.2
304.05185	0.8
304.08173	8.7
304.13940	1.5
304.24463	0.9
305.06143	1.4
305.15701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46864	0.1
52.01897	0.2
54.03490	0.2
56.66923	0.2
57.03433	0.2
66.85924	0.2
68.05034	0.3
68.99780	1.0
69.33925	0.9
71.01358	0.2
73.77895	0.2
80.36432	0.2
84.04485	0.7
84.08129	0.2
85.02906	0.4
88.51107	0.1
88.85133	0.2
94.02924	0.7
95.01328	2.7
107.04946	0.3
112.03976	2.3
113.02353	0.4
114.05516	0.2
114.09125	0.2
119.04960	0.3
121.06516	0.3
122.02370	0.4
123.00784	0.6
124.03939	0.5
126.09151	1.8
134.34656	0.2
135.04416	0.2
137.02347	0.7
139.00267	0.2
140.03421	21.1
141.03757	0.6
142.04979	1.1
147.04445	0.3
152.03407	0.4
152.10703	0.2
157.01289	0.2
159.99782	0.6
162.09132	0.5
163.03905	0.7
168.02916	100.0
169.01324	20.1
169.03217	2.2
171.04353	0.3
184.07574	0.2
185.00839	0.7
185.02873	0.2
187.03917	0.6
188.01559	0.2
188.04224	1.0
194.04465	0.2
212.04373	0.2
213.05333	0.2
219.14902	0.2
240.03700	0.2
240.06474	0.2
241.04942	0.7
244.06020	0.3
256.17947	0.2
257.04132	0.2
258.04810	2.1
258.07303	0.3
259.05859	0.2
262.07169	0.5
269.04480	0.2
270.54865	0.2
285.05743	0.5
286.04211	1.1
286.07025	9.4
287.05191	1.1
304.05270	0.5
304.08151	9.6
305.06412	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	304.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58239	0.4
55.05497	0.7
63.26698	0.4
66.26344	0.5
67.05494	0.8
68.74152	0.5
68.99779	2.0
69.07037	0.6
69.08730	3.8
72.04536	0.7
73.35297	0.4
74.79597	0.4
79.05470	0.5
81.03429	0.6
81.07042	1.5
91.05462	0.8
93.07013	0.5
97.10224	0.6
98.23435	1.1
107.08598	0.9
109.10085	0.6
119.04969	0.7
119.08593	1.1
120.05302	0.5
120.37315	0.5
121.06477	0.5
131.08479	0.5
137.05984	1.1
139.00235	1.2
140.00642	0.5
145.10152	0.6
146.30531	0.5
159.11742	0.6
161.06009	0.5
168.02885	4.5
169.01103	0.6
181.08607	0.5
183.02850	0.6
185.00735	0.7
215.06773	6.4
245.05945	0.6
246.67723	0.6
247.09393	9.8
249.92603	0.5
258.04755	4.3
259.10568	0.6
272.08847	2.4
286.04254	4.3
286.22501	0.6
303.23117	0.8
304.11526	100.0
304.19635	1.9
304.23438	1.6
305.11710	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	304.1654
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
53.03942	2.1
55.05509	17.0
56.05025	0.9
57.03431	1.7
57.05817	1.6
61.01142	1.2
64.61856	0.6
68.36973	0.8
68.99786	2.0
69.03426	5.4
70.06593	1.3
71.04995	1.5
71.40289	0.7
72.08151	100.0
73.08485	1.6
78.50282	0.8
78.98444	0.7
79.05476	0.8
81.03413	6.7
81.07050	1.2
82.14639	0.7
83.08631	1.8
84.04506	2.0
84.08138	0.9
85.02902	5.9
86.09712	2.4
87.00829	2.4
97.02911	2.0
98.06044	3.4
99.04440	2.0
99.09229	1.9
109.02873	6.4
114.05568	1.2
115.05453	3.0
116.07082	4.0
117.04881	0.7
117.05771	2.2
117.07043	1.4
118.06525	7.9
123.00839	1.5
123.08123	0.7
126.01088	2.9
126.05508	0.8
127.03917	9.6
127.08662	5.1
130.06512	15.1
132.08084	33.2
137.02336	19.2
137.03369	1.2
139.03876	1.3
140.03410	0.8
141.04826	1.5
142.05119	2.4
142.06520	4.6
143.07266	0.8
144.02084	1.6
144.08075	28.0
145.06448	0.8
145.08438	0.9
146.05991	31.0
147.06337	1.4
159.09174	56.6
160.07552	3.9
160.09578	1.3
168.02983	0.8
169.01326	12.7
170.05998	14.6
171.06487	1.0
185.00824	1.2
185.09210	1.4
188.07051	66.4
189.07426	2.2
196.09483	1.3
198.11298	2.9
201.03412	2.2
205.09711	46.8
206.10080	0.9
231.04994	1.1
245.12880	0.8
258.16049	0.9
259.14417	2.2
286.04297	1.6
287.13879	28.0
288.14212	1.4
304.05411	10.5
304.13419	1.4
304.16580	10.1
305.06238	1.5
305.19159	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	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	12.3
57.06312	0.4
57.07074	9.8
58.06596	7.5
60.04526	2.5
64.23077	0.4
67.01858	1.5
68.05028	0.7
68.99797	2.1
69.07058	0.4
69.47101	0.3
69.53475	1.3
71.01347	1.4
71.08625	4.0
74.06077	11.6
78.83715	0.4
81.58142	0.3
85.10191	2.2
86.06054	1.4
86.18867	0.4
88.07626	42.2
89.07955	0.5
94.78185	0.4
95.01348	1.0
97.43258	0.4
103.05448	1.3
104.07100	1.3
105.03371	2.9
106.37457	0.3
111.00838	0.7
118.08646	8.7
122.08121	7.0
123.00776	0.9
131.04929	0.7
139.00241	1.4
140.03421	1.3
141.01807	0.7
141.06970	1.6
141.41653	0.3
141.86835	0.4
147.04385	1.0
155.04926	0.5
157.01299	2.3
168.02921	7.6
169.01277	0.8
171.04408	0.6
197.05986	2.1
204.10977	0.6
213.05470	3.3
214.19168	0.4
215.06996	4.0
223.03821	0.7
225.05444	4.2
231.06490	1.2
241.04959	10.0
243.06500	1.7
256.26337	37.9
257.26605	2.1
258.04776	1.6
259.06000	4.8
269.04559	1.0
286.04224	0.8
286.07120	0.6
286.27399	2.1
287.05499	2.4
304.05276	1.9
304.08310	1.0
304.19788	2.2
304.28433	100.0
305.06567	11.5
305.28818	5.6
323.06583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19464	0.6
56.05032	32.6
57.07074	35.7
58.06597	22.3
60.04523	5.4
67.01855	2.9
68.05024	3.3
68.99795	3.2
71.01334	2.7
71.08627	20.4
74.06074	33.2
74.88438	0.6
85.10174	9.9
86.06062	5.7
88.07610	3.5
91.05460	1.0
91.17952	0.6
95.01317	2.1
103.05428	2.1
104.07094	1.4
105.03384	5.0
105.10430	0.6
108.05345	0.6
111.00797	1.7
113.02364	1.0
118.08647	9.6
122.08132	55.6
123.00756	2.2
123.08503	0.7
124.01125	0.7
129.03329	1.6
131.04915	1.3
137.05960	4.6
139.00230	3.5
140.03305	0.8
141.01851	0.9
141.06975	3.0
147.04330	2.1
155.04926	0.9
157.01347	5.4
168.02917	2.8
169.01257	0.8
185.00745	1.3
197.05963	6.6
213.05400	6.8
215.07005	8.5
223.03850	1.6
224.72591	0.7
225.05408	8.1
231.06511	2.1
241.04939	22.8
243.06528	3.2
256.26239	3.9
258.04736	4.0
259.06012	12.4
269.04324	3.1
286.04233	1.9
287.05499	5.9
304.05301	4.8
304.20230	4.8
304.28421	100.0
305.06540	24.9
305.10086	0.9
305.28857	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	304.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.6
58.06595	33.2
65.03930	2.1
69.60169	1.3
72.08140	0.4
73.88200	0.3
75.12224	0.3
91.05473	100.0
92.05789	2.4
94.93774	0.4
98.23459	0.5
156.04248	0.4
176.14072	0.5
209.88322	0.4
212.23709	22.1
213.24052	0.5
299.83499	0.4
304.19867	1.3
304.29941	78.0
305.30280	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	305.0653
Annotation	Corymbiferan lactone B
Peak:m/z	Relative Intensity
53.00303	1.1
54.56998	0.6
55.01886	0.7
67.01527	0.9
67.01865	12.4
68.99427	0.9
68.99783	10.5
69.03427	0.9
70.24657	1.4
70.25000	0.8
71.01350	12.9
73.90362	0.6
83.01314	1.5
95.01329	7.6
95.04961	1.7
96.99245	2.0
99.00806	1.4
103.05469	8.0
105.03389	22.5
111.00793	6.2
113.02316	4.1
115.05429	1.0
117.06927	0.8
123.00780	11.5
127.05396	1.5
129.03357	6.5
129.06982	1.5
131.04868	3.4
139.00249	16.1
139.05357	1.1
141.01834	4.0
141.06967	10.8
147.04404	7.5
155.04910	4.0
157.01305	16.4
157.06435	3.0
166.99750	2.3
167.04904	0.9
171.04341	2.5
185.06004	1.4
186.06686	1.2
195.04391	1.3
197.05959	25.9
213.05449	33.0
214.05794	1.1
215.07014	33.5
217.04939	1.4
223.03883	10.1
225.05447	34.5
226.05803	0.7
231.06502	10.9
241.04938	100.0
242.05260	3.0
243.06494	14.8
259.06003	46.7
260.06567	0.8
269.04370	10.5
287.05475	22.5
305.06525	95.3
306.06876	2.8
306.26263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0656
Annotation	1,3,7-Trihydroxy-5,6-dimethoxyxanthone
Peak:m/z	Relative Intensity
53.00081	0.3
53.00299	0.4
53.02705	0.2
54.94495	0.2
55.01862	0.3
57.03424	0.4
58.56793	0.2
67.01848	0.4
68.99786	2.9
69.42802	1.0
71.01350	1.1
85.02911	2.1
89.03925	2.0
90.43793	0.2
93.03407	0.3
95.01339	2.2
99.00803	0.2
106.90013	0.2
107.04980	1.0
111.04435	0.7
113.02361	2.2
117.03381	3.0
121.06486	0.6
123.00797	3.7
123.04417	2.3
126.09156	0.3
128.67938	0.2
131.04889	0.3
134.32774	0.2
135.04413	4.6
137.02356	0.4
137.05968	0.6
139.00250	0.6
139.03883	0.6
141.01833	1.7
143.04930	0.2
145.02834	3.8
149.02351	0.4
151.00264	1.0
157.06548	0.2
159.02954	0.3
159.04390	0.4
163.03899	20.3
164.04182	0.4
166.99821	0.2
167.03496	0.3
167.04826	0.3
168.02966	0.3
169.01315	100.0
170.01656	1.9
171.04376	1.1
185.00795	1.2
185.05951	0.5
187.02379	5.5
187.03885	0.6
189.05464	0.5
195.02876	1.6
199.03773	0.3
201.29543	0.2
205.04968	0.9
213.05463	0.8
231.06564	0.3
241.04985	1.9
259.05936	0.5
263.05475	0.7
269.04456	2.1
287.05475	5.5
305.06534	35.6
306.06918	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
68.99787	100.0
70.05794	0.8
91.05477	2.1
92.99732	0.9
93.07034	1.5
95.04958	1.0
103.05437	1.5
107.04915	3.7
108.05292	0.9
109.02879	1.2
111.00806	4.2
116.02636	0.8
119.04917	2.4
119.57536	0.7
121.06498	48.2
121.31046	0.8
122.06844	1.1
137.02295	0.8
139.00261	30.5
147.04387	4.4
151.00247	1.7
152.00618	0.8
157.01283	2.4
157.06490	1.2
165.01857	5.3
166.99738	23.4
168.23004	0.8
169.01288	11.4
170.01653	4.8
171.01767	7.1
171.04332	1.2
185.00800	99.2
186.01109	1.7
213.05396	2.0
231.06438	6.0
241.04997	8.9
259.06033	23.0
260.06284	1.0
269.04373	2.3
273.03891	1.2
287.05484	38.6
288.05740	1.7
305.05515	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
62.17361	0.7
68.99789	100.0
70.06615	1.2
71.01351	0.9
77.03972	0.7
91.05482	2.2
92.99747	1.5
93.07044	2.0
98.22813	0.9
103.05456	1.6
107.04989	1.5
109.02848	0.9
111.00808	3.1
119.04924	3.1
121.06500	43.8
134.65585	0.7
137.02335	0.6
139.00262	30.5
147.04431	4.6
148.99367	0.8
151.00244	0.8
157.01291	1.6
157.06450	1.7
165.01817	4.6
166.99770	21.4
168.00096	0.7
169.01343	1.2
172.07750	0.6
185.00812	86.8
186.01140	1.7
213.05432	2.0
225.12947	0.6
231.06531	6.4
241.04976	7.0
245.04355	0.8
259.06015	18.1
260.76001	0.6
269.04330	1.3
278.06259	0.7
287.05490	28.6
288.05835	1.4
305.06464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.7
62.52345	0.5
62.74427	0.7
67.05520	0.6
68.99787	100.0
69.07100	0.8
71.01356	1.7
71.13876	0.9
81.07073	1.3
91.05474	3.8
92.99764	1.3
93.07041	2.7
95.01302	0.8
95.04952	0.9
95.08564	0.8
103.05463	1.3
104.99763	0.7
105.07030	1.3
107.04967	1.1
107.08595	1.0
111.00784	4.1
119.04923	4.4
121.06500	49.2
133.10243	0.8
137.02353	0.9
139.00262	25.7
140.00591	0.9
147.04398	8.7
157.01318	5.5
157.06471	1.5
161.05937	0.8
165.01813	3.1
166.99745	20.4
169.01329	1.0
171.04346	0.9
173.06021	0.9
173.13290	1.5
185.00803	82.8
185.06050	1.5
186.01097	1.5
188.15784	0.8
199.03992	0.8
213.05466	1.5
231.06502	5.9
241.04909	5.6
259.06018	26.7
260.06442	1.2
268.53055	0.6
269.04449	2.0
272.42834	0.5
286.22537	0.8
287.05490	37.2
288.05743	0.9
304.23557	0.8
305.05527	4.2
305.24741	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	305.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.2
55.01876	0.3
57.03426	0.5
67.01863	0.3
68.99773	0.7
69.82091	0.4
71.01353	0.9
73.90665	0.1
85.02917	1.5
91.05505	0.2
95.01321	1.6
99.00818	0.2
107.04947	0.2
113.02375	1.4
123.00797	2.9
127.00272	0.1
135.04417	0.3
137.02336	0.2
140.03395	0.3
141.01837	0.7
141.03792	0.2
146.98196	0.1
151.00278	0.7
159.02911	0.2
160.05168	0.1
161.05923	0.2
163.03911	0.8
168.02867	0.9
169.01321	100.0
170.01671	1.8
171.04404	0.1
185.05978	0.3
187.02351	0.7
187.03879	0.4
195.02826	0.3
213.05449	0.4
241.04903	1.1
245.04506	0.2
259.05927	0.2
263.05399	0.5
269.04373	0.5
269.28369	0.2
287.05457	5.6
288.05792	0.3
305.06509	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	305.0656
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
51.02390	0.2
53.03946	0.6
55.01866	1.1
55.05505	0.2
67.05483	0.2
68.99781	1.0
70.06577	0.6
71.01343	0.3
74.93157	5.3
76.92874	0.9
81.03411	4.1
83.04960	0.4
84.08111	0.3
85.02898	0.4
85.38264	0.2
86.09719	0.6
87.30974	0.2
88.10329	0.2
89.03902	0.5
90.03440	0.3
95.04952	0.2
97.02879	0.3
98.99937	0.2
99.04449	0.2
105.03370	0.2
107.01308	0.8
107.04967	0.2
109.02871	1.3
111.00821	0.6
111.04434	0.6
114.05506	0.2
116.97178	0.2
117.03433	0.3
118.96779	0.2
121.02856	0.8
121.06490	0.3
123.04435	0.6
125.02301	0.2
126.01064	3.9
126.01994	0.2
126.05440	0.2
127.00578	0.3
127.01414	3.1
127.03909	3.3
128.00757	3.9
133.02843	0.3
135.04427	0.8
135.99231	0.3
137.02342	100.0
137.03433	10.1
138.02667	2.2
139.03891	5.4
144.02071	1.1
145.02426	0.7
146.01837	0.7
147.04391	1.2
149.02365	0.4
151.03920	1.2
161.02295	0.2
161.05960	0.2
163.43546	0.2
167.03467	0.3
169.01346	0.7
173.12872	0.2
175.03955	0.7
177.01842	1.0
177.05467	0.2
179.03378	5.0
185.00822	0.4
186.92371	0.4
195.02864	1.0
203.03380	3.2
204.93407	1.2
213.05569	0.2
217.04990	0.2
221.04478	0.5
222.94435	1.1
241.04984	0.2
245.04457	0.3
259.05991	0.4
280.90506	1.5
282.90231	0.5
287.05487	3.7
298.91620	1.2
300.91455	0.8
305.06473	3.1
305.09619	0.2
305.15579	1.2
306.05731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09548	0.2
52.91516	0.2
53.00284	0.3
55.01851	0.4
56.96541	0.6
57.03413	0.6
67.01866	0.5
68.99487	0.2
68.99793	1.7
70.06568	0.4
71.01343	1.0
71.07780	0.3
84.08120	0.3
85.02901	1.7
95.01313	2.5
98.97588	0.5
99.00824	0.3
103.05442	0.2
105.03353	0.3
107.04943	0.4
110.97578	0.3
112.11269	0.3
112.37952	0.2
113.02350	2.2
116.98565	0.2
121.06470	0.6
123.00765	2.8
123.04433	0.3
126.05521	0.2
129.07057	0.2
129.13852	0.9
131.04877	0.3
132.08191	0.2
137.02322	0.3
137.58542	0.3
139.00203	0.3
139.42030	0.2
141.01831	1.2
144.98190	0.2
147.04337	0.8
151.00273	0.6
157.01312	0.4
159.03029	0.3
159.23889	0.2
160.07541	1.0
163.03891	0.9
169.01306	100.0
170.01659	2.3
171.04446	0.3
178.08601	0.7
179.05939	0.2
185.00769	0.7
185.05957	0.4
187.02353	0.6
187.03915	0.6
188.04330	0.2
189.04248	0.3
197.05898	0.3
213.05434	1.3
215.07048	0.6
222.04369	0.3
225.05521	0.7
231.06523	0.4
235.77725	0.2
237.02844	0.4
240.05342	0.3
241.04961	2.6
245.04729	0.3
259.06055	1.3
263.77554	0.2
269.04395	0.6
287.05487	5.9
288.05917	0.3
305.06595	7.7
305.12070	9.5
306.06903	0.4
306.12476	0.3
306.21616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
56.05022	0.4
56.31319	0.4
58.83778	0.3
67.05495	1.1
68.99803	0.6
71.41415	0.5
72.83145	0.3
76.67381	0.5
77.03918	1.0
79.05472	0.6
81.03418	0.5
81.07044	1.6
82.40614	0.4
83.08570	0.4
86.09682	0.7
91.05465	4.1
93.05779	0.8
93.07031	3.1
94.06557	0.9
95.04954	2.4
95.08624	0.5
96.08150	0.9
105.04475	0.7
108.08096	1.7
119.08571	0.5
122.06013	2.7
124.07576	9.3
126.05514	1.0
127.01583	0.4
136.07558	100.0
137.07904	1.7
138.09122	0.6
140.07045	1.1
147.04417	0.8
150.05492	0.7
152.07048	19.1
159.06783	0.5
161.05869	0.4
164.07045	74.0
165.07367	1.6
170.08116	4.1
175.07498	0.5
182.08113	14.8
183.08430	0.5
185.00743	0.5
185.03355	0.6
203.06859	0.5
251.35106	0.4
255.15929	0.4
277.10687	0.6
287.13861	3.4
305.05484	1.2
305.09827	2.1
305.14972	0.7
305.20740	0.5
305.24496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	100.0
58.07379	0.8
59.99104	10.5
69.23634	3.9
74.48846	0.6
79.05499	1.1
85.07664	1.6
86.06056	15.1
102.03764	3.0
102.99623	1.0
104.96330	0.5
106.06543	56.7
106.15807	0.7
107.06876	1.3
116.05302	41.8
137.06065	0.9
145.04291	10.9
191.85620	0.6
201.10542	56.1
202.10822	1.6
208.05388	5.2
250.10182	2.6
264.11639	0.8
306.16321	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	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
55.05506	0.2
57.07072	0.1
58.02950	0.3
65.03945	0.1
66.04707	0.2
67.05511	0.4
69.07064	1.5
70.71684	0.2
71.04993	0.1
72.08161	0.1
79.05490	0.7
81.07051	1.0
83.08615	0.2
84.08109	0.1
86.06036	0.2
91.05473	0.7
93.07050	0.6
94.04179	2.1
95.04963	0.2
95.08602	0.4
97.06528	0.5
100.07611	0.2
105.03374	0.1
105.07037	0.3
107.04949	0.3
107.08590	0.6
109.06494	0.4
109.10165	0.5
111.08049	0.1
111.11726	0.1
114.09189	0.5
122.03638	7.0
123.03996	0.2
123.11668	0.2
126.09137	0.4
133.10101	0.8
134.10576	0.1
135.04324	0.1
135.11682	1.3
137.05966	100.0
138.06299	2.3
138.12770	0.1
147.11685	0.2
151.11160	0.3
153.12720	1.0
164.14229	0.1
165.12630	0.1
170.15399	2.4
182.15387	2.2
182.16893	0.1
183.15735	0.1
306.20633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
57.03418	0.3
57.07070	9.4
58.06598	2.4
69.07058	0.7
69.28732	1.3
70.04067	0.5
71.07363	1.8
71.08629	3.6
79.05485	0.5
81.07069	0.4
84.08135	16.0
85.10171	1.7
91.05517	0.4
93.01050	0.8
94.04180	1.0
95.08606	0.4
98.22754	0.5
107.08656	0.3
120.05759	13.8
122.03631	2.5
135.11687	0.5
136.05235	1.4
137.05966	28.0
138.06810	17.8
139.07080	0.3
170.15379	0.5
179.05038	0.3
182.15428	0.8
214.25331	0.6
306.25543	100.0
307.25839	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	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05014	0.3
57.07071	5.1
58.06596	2.5
58.96820	0.2
68.04996	0.7
70.06586	21.7
70.34136	0.5
71.06882	0.5
71.08635	2.6
72.08150	2.4
84.08136	2.2
86.06033	0.4
86.09208	0.3
86.09696	3.3
88.07627	8.7
89.06004	0.5
102.08530	0.3
102.09171	5.2
103.05375	0.3
105.07027	0.3
114.09159	0.5
131.04903	0.5
132.10190	8.1
146.11752	8.1
156.17491	2.8
182.19038	1.0
184.20457	0.4
194.13870	0.5
200.20078	18.7
201.20436	0.9
227.66719	0.3
239.79694	0.2
244.22691	36.0
245.23010	1.6
246.47142	0.3
260.05182	0.3
270.04822	0.2
288.25244	1.4
291.00214	0.3
291.60126	0.3
306.26349	100.0
307.26694	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	306.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	4.8
58.06606	2.0
68.99794	1.9
69.51855	1.8
70.06593	22.1
71.01350	2.0
71.08632	3.9
72.08168	2.3
77.47171	0.4
84.08149	2.1
86.09708	3.5
88.07628	9.4
89.05983	0.6
102.09190	6.1
103.05473	2.3
105.06442	0.5
105.07045	4.7
114.09158	0.5
131.04936	5.8
131.44571	0.4
132.10213	7.8
139.00258	1.4
146.11755	9.0
148.57059	0.5
156.17479	2.7
157.01311	4.8
160.07587	0.4
166.99753	1.3
171.04410	0.4
172.04736	0.9
182.19080	1.5
183.04472	0.4
185.00807	3.2
193.01347	0.4
194.13853	0.5
200.20091	20.5
203.01738	0.6
242.05243	2.0
243.06554	3.7
244.22716	38.2
245.23080	1.8
270.04752	3.6
271.02795	0.4
271.05939	2.6
279.02505	0.5
288.25381	1.3
289.07043	0.8
306.26379	100.0
307.02139	2.6
307.05301	0.4
307.10086	0.6
307.26733	4.5
315.67203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23295	0.7
67.65011	0.7
70.04065	1.6
70.23056	0.9
70.42870	1.2
80.73846	0.8
92.61018	1.0
98.23336	1.2
101.21139	0.8
105.07020	2.6
105.27404	0.8
131.04893	5.8
139.00262	1.6
141.51123	0.8
149.47557	0.9
157.01283	4.1
166.99763	1.0
172.09605	0.8
185.00768	2.0
202.99495	100.0
203.99873	2.9
204.02896	1.0
221.00511	21.9
243.06293	3.2
244.02145	1.2
271.06000	1.5
289.23544	1.0
307.02106	9.8
307.05762	41.7
308.06009	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	307.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.4
59.60361	1.0
60.05666	1.2
63.08170	1.1
66.60143	1.1
69.03415	1.3
70.04076	8.7
70.06583	3.6
72.08138	1.3
72.99005	1.2
84.04498	2.1
84.08140	3.7
86.09721	2.4
97.02892	1.6
101.00867	1.8
101.05878	8.5
116.98715	1.2
117.84333	1.3
119.01919	8.7
122.07139	20.8
137.02966	1.3
144.04762	9.3
145.04790	1.1
147.05081	1.6
164.08182	15.3
174.03830	6.9
175.04305	6.4
175.11897	1.5
177.00912	13.6
178.01019	1.5
183.01219	2.7
217.04094	2.5
219.01964	19.0
220.02086	2.5
243.01985	9.6
259.97537	2.4
261.03027	100.0
262.03186	8.0
284.04568	3.7
290.12341	1.4
301.98596	2.2
307.08249	3.5
307.11697	1.6
308.15170	3.0
325.02237	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.2
55.05495	2.5
56.05016	1.7
65.17384	1.7
67.05503	7.5
68.99786	9.0
69.03433	12.8
69.34684	5.1
69.35088	2.6
69.76548	1.4
70.06583	15.1
71.01355	22.7
71.04977	2.6
71.55266	1.3
71.92442	1.4
72.08144	9.4
74.19688	1.5
79.05486	5.3
81.03415	64.5
81.07030	5.7
84.08125	2.2
88.07617	2.7
89.03926	10.3
91.05476	3.2
95.01351	1.7
95.04913	1.4
98.06040	2.9
98.09665	1.8
98.23440	2.8
99.04447	3.4
100.07592	1.3
100.32691	1.3
103.05448	18.1
104.99744	4.5
105.07027	45.2
107.04946	2.6
107.06099	1.5
107.08594	2.9
107.64836	1.4
108.08119	3.0
109.02883	16.8
109.10123	1.8
110.09650	3.7
117.03388	10.9
120.08074	2.2
122.09667	1.5
126.09157	18.1
127.03942	2.8
131.04919	67.7
132.05219	2.2
135.04391	20.8
136.11266	2.1
139.00269	10.8
141.06892	2.6
143.11777	2.7
145.02844	12.4
155.04846	1.9
157.01317	44.2
158.01669	1.6
163.03899	100.0
164.04231	2.2
165.46295	1.4
166.99748	15.0
169.09761	2.4
176.03511	1.5
176.14243	2.0
178.15918	16.4
181.04904	1.7
183.04344	3.5
185.00810	19.3
191.08488	1.6
191.93378	1.3
194.15401	2.9
197.05894	1.9
203.01805	7.2
203.04579	2.5
211.18091	2.0
225.05417	3.4
229.04846	1.7
243.06525	42.5
249.19615	4.8
265.29736	1.3
271.05951	27.6
289.07007	13.3
298.75793	1.7
307.08093	47.6
308.08493	3.7
308.23358	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	307.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.2
68.99787	10.5
71.01347	31.5
76.92280	1.1
77.00276	1.2
80.95365	1.3
91.05475	1.2
95.01350	1.7
103.05454	21.1
104.99730	6.4
105.07020	70.9
106.07360	1.8
111.00786	2.9
131.04912	100.0
132.05266	3.8
139.00243	25.9
155.04893	2.0
157.01311	82.8
158.01683	1.6
166.99741	30.3
169.06458	1.6
183.04419	4.5
184.99130	1.8
185.00795	37.7
186.01283	1.4
197.06056	3.1
203.01859	12.8
211.22687	1.3
215.07059	3.4
225.05441	9.4
243.06502	66.4
244.06812	2.9
248.16907	1.2
253.04958	3.0
271.05988	44.5
272.06400	2.1
289.06998	21.8
290.07410	1.6
297.87759	1.3
306.21725	1.5
307.08551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24009	0.5
56.03772	2.0
56.96566	1.5
57.03427	1.1
59.03748	3.9
69.03425	1.2
70.06578	1.4
70.21109	1.2
73.02918	0.8
73.04046	1.2
77.18188	0.6
81.04516	0.7
81.92911	0.5
84.05602	1.0
84.08149	3.3
84.40677	0.6
85.02907	3.3
85.06403	1.8
97.02881	3.6
97.69929	0.6
98.23493	0.7
98.98468	1.0
101.05876	100.0
102.06717	3.1
112.05088	2.2
113.02325	0.8
113.03500	0.9
116.98622	0.9
117.05392	0.8
119.01913	1.5
120.08060	0.8
122.07150	5.0
124.80232	0.6
130.06078	1.4
132.08427	2.7
137.02966	0.7
144.04788	2.5
147.05122	20.2
161.04497	1.0
164.08186	4.9
206.96684	0.6
215.08458	0.6
222.04253	0.8
261.03064	5.2
261.09418	1.1
284.23038	0.6
307.08939	2.2
307.16611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.1
51.02377	0.2
53.03941	0.2
55.01861	0.6
57.07064	0.1
59.04978	0.1
63.02385	0.1
65.03929	1.5
67.05503	0.1
67.30477	0.1
68.27641	0.1
68.57584	0.1
68.99774	1.0
69.07079	0.1
69.36523	0.5
70.04065	0.3
74.42503	0.1
77.03525	0.2
77.03896	0.8
79.05038	0.2
79.05489	3.9
81.03410	0.2
81.07024	0.1
82.26367	0.1
89.03884	0.1
91.05473	12.5
92.05811	0.4
93.03405	1.1
94.04169	0.2
95.04958	1.6
101.03860	0.1
102.04681	0.2
103.05458	24.1
104.05793	0.4
105.03393	2.9
105.04488	0.7
105.07027	1.0
107.04943	3.8
107.05669	0.2
115.05431	0.8
117.07011	1.0
119.04933	5.5
122.03667	0.5
128.56979	0.1
129.03368	0.4
131.04916	35.4
132.05252	0.9
133.02853	0.8
135.04367	0.9
137.05960	5.5
138.06294	2.2
145.02936	0.2
145.06456	1.2
147.04398	9.0
151.03922	0.2
155.04849	0.2
155.06006	0.2
157.01314	0.3
157.02855	0.3
161.02310	0.3
162.03114	0.2
173.02400	0.6
173.05992	1.1
175.03893	11.1
176.04337	0.4
179.03296	0.1
179.08759	0.1
185.00798	0.2
190.02634	0.7
190.07779	0.3
191.03375	0.2
191.08589	0.2
193.04886	0.2
201.05449	1.7
202.07680	0.1
203.03363	100.0
204.03723	2.9
204.06564	0.3
205.04965	0.1
205.10130	0.3
215.08467	0.8
216.04158	0.2
218.07379	0.2
221.04410	2.6
223.07437	0.2
229.04958	1.8
231.08141	0.1
233.09604	0.5
237.09096	0.2
259.19214	0.1
261.03171	0.2
261.09039	0.6
265.08600	0.9
279.10065	0.3
289.08600	1.3
307.09598	80.1
308.09921	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	307.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03936	0.2
55.01865	0.5
59.04984	0.1
60.57389	0.1
63.02362	0.1
65.03926	1.8
68.99772	0.9
69.21536	0.8
70.04062	0.6
71.01322	0.1
77.03938	0.5
79.05484	4.2
80.05869	0.1
89.03941	0.1
91.05471	13.1
92.05832	0.2
93.03401	0.9
93.07052	0.1
94.04151	0.2
95.04971	1.6
102.04662	0.3
103.05458	24.2
104.05802	0.5
105.03387	3.0
105.04452	0.7
105.07011	1.2
107.04942	4.0
107.05665	0.2
115.05471	0.6
117.07008	1.0
119.04932	5.1
122.03635	0.6
123.04001	0.1
128.31892	0.1
129.03329	0.3
129.06895	0.1
131.04913	36.6
132.05203	0.8
133.02856	0.9
135.04329	0.6
135.11607	0.2
137.05962	8.5
138.06294	2.9
145.06456	0.9
147.04396	9.7
148.04730	0.2
155.04904	0.3
155.06168	0.2
157.01328	0.3
157.02847	0.3
161.02336	0.2
162.03091	0.2
165.06866	0.2
167.03363	0.2
170.15398	0.2
173.02339	0.4
173.05986	1.4
174.03072	0.2
175.03882	10.5
176.04471	0.2
177.05411	0.2
179.03325	0.2
182.15440	0.2
185.00781	0.2
189.07018	0.2
190.02542	0.8
190.07788	0.4
193.04951	0.3
193.36218	0.1
201.05438	1.8
202.07774	0.3
203.03363	100.0
204.03754	2.8
204.05719	0.2
204.06618	0.3
205.04832	0.1
205.10152	0.2
215.08530	0.9
216.04102	0.3
218.07355	0.3
221.04405	2.9
229.04942	1.8
233.09572	0.3
237.09048	0.3
243.06555	0.2
261.02881	0.2
261.09137	0.7
265.08673	0.7
271.05746	0.1
279.02521	0.3
289.08646	1.4
290.08893	0.1
307.02527	2.0
307.09601	88.0
308.09927	4.3
308.15439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40443	0.6
56.05022	2.5
56.96571	0.6
58.06598	4.3
60.95835	0.5
63.19348	0.4
68.05024	0.6
69.07055	0.7
69.86461	1.4
70.04075	3.4
70.06588	1.3
75.02702	0.7
75.52076	0.4
82.06579	0.5
84.04501	28.0
84.08137	100.0
85.08478	1.2
86.06056	8.0
86.09699	6.3
88.03997	3.6
98.22688	0.7
99.09187	0.6
113.07060	0.5
116.98592	0.6
119.05023	0.5
130.08636	1.6
141.13837	8.1
144.10191	1.1
146.03639	0.8
161.05984	3.1
162.99117	0.6
163.03859	0.7
169.13344	10.1
195.25499	0.5
196.02644	1.1
198.11288	1.2
215.13896	40.3
216.14250	1.3
239.06656	0.6
243.17020	43.2
244.03334	0.5
244.17336	1.9
247.09004	0.5
262.11099	2.7
265.04752	1.1
293.59955	0.6
307.13416	0.6
307.16837	13.0
308.16180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01870	13.6
55.05512	58.5
57.03438	33.3
57.15729	5.6
59.04997	7.0
67.05508	47.0
69.07055	13.1
70.04073	66.6
70.43748	5.4
71.04980	6.4
71.43423	7.3
79.05486	54.0
81.07047	41.3
83.04960	8.5
83.08614	20.2
83.96778	5.3
91.05481	37.8
93.07040	31.1
95.04948	25.5
95.08585	16.3
97.10169	50.6
103.92577	5.3
105.07021	26.1
107.04929	34.1
107.08612	31.0
109.06499	15.6
109.10145	8.4
117.06982	17.8
119.08573	28.3
121.06545	11.9
121.10181	9.2
125.09595	37.0
131.04877	6.9
131.08536	13.8
133.10130	14.0
135.08054	18.5
139.31662	5.6
142.07808	6.6
143.08546	13.8
144.73332	6.4
145.06480	7.3
145.10129	10.2
147.08040	16.0
153.09190	6.7
157.10139	7.4
159.08051	42.9
161.09627	13.5
171.11812	5.9
173.13219	8.4
187.14813	7.1
189.11183	17.8
194.10861	6.3
215.14377	14.3
233.15315	25.0
243.17404	13.1
261.03049	9.0
271.16812	40.5
289.17920	100.0
290.18326	6.7
307.02042	33.7
307.18854	25.6
308.15347	28.9
308.18399	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.5
55.05512	20.6
57.03434	2.2
57.07082	3.6
59.04992	2.5
59.32681	1.9
67.05515	21.8
69.07067	7.7
70.04076	100.0
79.05489	31.4
81.03413	3.3
81.07050	20.5
81.73602	1.7
83.04984	6.7
83.08596	9.8
91.05463	11.7
93.07038	14.8
95.04977	5.1
95.08593	9.5
97.06530	4.6
97.10164	15.7
105.07038	13.2
107.04933	9.2
107.08596	20.1
109.06540	2.7
109.10147	10.0
109.18806	1.6
117.07035	3.7
119.08577	9.1
121.06490	1.9
121.10150	5.1
123.08091	3.1
123.11691	2.8
125.01611	9.1
125.09604	17.3
131.08598	5.3
133.10156	7.1
135.08064	5.8
145.10127	5.7
147.11691	5.2
149.09622	22.7
151.03046	2.6
153.09151	4.0
159.11627	3.3
173.13251	2.1
203.12782	15.6
219.17444	1.9
257.19128	2.8
275.20056	16.9
307.02194	14.7
308.02756	2.2
308.15195	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.0
59.04996	4.6
66.64352	5.0
67.05490	22.7
69.03426	7.4
69.07065	17.9
69.77881	15.6
69.87976	4.3
70.04082	44.1
71.04989	10.9
78.31194	4.7
79.05476	26.3
81.07058	35.7
83.04974	7.5
83.08619	7.6
86.09702	33.7
86.33991	4.1
87.10034	8.9
91.05457	45.8
91.27776	4.2
93.07022	29.6
94.04208	7.0
94.82029	4.4
95.04969	10.0
95.08620	21.4
97.06570	10.3
98.98455	9.4
103.09502	4.9
105.07007	46.7
107.04919	5.2
107.08591	23.6
109.06528	20.4
109.10151	16.6
111.08099	5.1
117.07024	11.7
117.31547	4.3
119.08597	32.9
121.06503	12.7
121.10155	7.9
123.08066	12.6
129.06970	6.5
131.08609	9.5
132.10226	5.8
133.10120	25.6
134.10466	7.7
135.08075	11.9
137.09602	10.1
145.10132	7.5
145.95657	4.7
147.11682	23.3
148.12018	12.4
149.09622	9.7
151.11215	13.4
159.07982	6.2
159.11711	7.6
163.11102	6.0
165.12828	7.9
169.10231	6.3
229.19403	6.1
257.18985	10.6
261.03113	9.5
261.20630	6.1
265.18063	6.0
275.20016	39.9
279.02640	7.0
279.21509	8.8
289.18103	12.2
307.02072	62.8
307.09528	5.8
307.18848	27.0
307.22665	100.0
308.02710	5.3
308.15314	14.1
324.01950	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	307.2266
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03939	1.3
55.01868	2.9
55.05510	14.6
55.17209	1.1
57.07074	2.2
59.04984	1.5
65.03937	1.3
67.05491	11.7
69.07062	6.8
70.04073	90.0
71.04964	2.0
71.08596	1.8
79.05488	14.1
81.03398	2.3
81.06630	1.3
81.07058	13.5
83.04973	1.5
83.08617	3.9
85.06498	1.4
91.05468	12.2
92.05759	1.2
93.07040	12.2
95.04945	5.5
95.08595	13.3
97.06481	3.1
97.10139	1.9
97.36892	1.3
98.06039	1.9
98.98436	1.4
105.07044	11.3
107.04939	3.5
107.08584	8.4
109.06507	10.8
109.10147	4.8
111.08076	2.3
113.06007	1.4
115.05438	1.5
117.07010	5.4
119.08588	5.8
121.06503	8.1
121.10147	6.0
123.08017	9.3
123.11695	1.5
125.01535	4.7
125.05983	4.1
131.08549	6.8
133.06528	1.7
133.10129	4.9
135.08069	6.9
135.11679	3.5
136.08818	1.3
137.05957	1.4
137.09586	2.1
145.10106	5.0
147.08037	1.7
147.11673	3.0
149.09615	4.9
149.13264	2.0
151.03090	2.7
151.11217	1.5
159.11702	3.2
161.13193	1.3
163.11197	1.7
165.12701	3.4
173.13268	2.2
177.12727	3.7
179.14314	4.3
183.13658	1.4
191.14288	3.8
207.17375	1.6
221.19051	1.5
229.19510	2.3
237.15134	1.5
247.20604	3.1
251.16411	2.1
257.19025	3.4
261.03058	2.3
261.22095	4.9
275.20013	6.3
279.02554	1.4
279.23221	2.6
289.21667	3.0
300.61496	1.4
305.07617	1.3
307.02155	9.6
307.22656	100.0
307.27875	13.6
308.15231	25.9
308.22971	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	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.3
55.05511	12.6
57.02312	1.4
57.07067	1.7
59.04983	1.7
62.09899	1.5
62.26727	1.4
67.05499	12.1
69.03411	1.9
69.07055	4.1
70.04070	100.0
70.82067	1.7
79.05489	17.8
81.03440	1.9
81.07045	11.8
83.04977	3.4
83.08607	5.9
85.06540	1.7
91.05495	7.9
93.07032	11.0
95.04944	4.1
95.08617	3.8
95.62137	1.4
97.06551	3.0
97.10149	10.4
105.07037	8.2
107.04951	7.3
107.08574	14.4
109.10143	6.0
119.08559	4.9
121.10166	3.8
123.11710	1.8
125.01539	6.9
125.09601	11.0
131.08470	2.7
133.10118	5.3
135.08015	4.4
145.10056	2.6
147.11687	2.8
149.09572	11.7
151.03052	3.6
153.09032	2.4
161.05981	2.0
203.12723	10.0
229.19576	2.4
257.19055	2.3
275.19983	12.1
301.91348	1.7
307.22852	2.5
308.15195	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.9656
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51831	0.8
67.48193	0.7
70.03340	2.0
74.47239	0.7
84.63320	0.9
91.10202	0.7
94.06538	2.5
94.93016	1.9
98.23324	1.1
114.89309	1.0
115.39930	0.7
139.91455	2.3
161.20758	0.7
190.35487	0.9
202.89059	1.7
203.89395	1.2
204.88919	1.6
207.01419	100.0
208.01816	1.1
222.98810	33.4
232.92348	1.2
307.09891	3.1
308.10239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
51.40858	0.2
52.57048	0.2
52.58930	0.2
56.00441	0.2
57.68888	0.3
61.73978	0.3
65.03940	1.5
65.04223	0.3
66.47666	0.2
68.16006	0.2
68.99776	0.2
69.07388	1.9
70.04071	0.7
70.06602	0.3
71.01353	0.2
73.91339	0.2
81.03407	0.9
91.05479	1.6
92.04999	3.8
93.03391	0.4
98.22684	0.4
100.07584	0.4
105.03397	1.5
105.07022	0.5
106.02882	0.5
106.07306	0.3
108.04464	2.8
110.06075	0.2
112.47475	0.3
120.04440	1.2
121.02845	1.1
131.04912	0.8
132.05258	0.6
136.03937	0.5
138.05478	0.4
148.03920	11.7
149.02299	1.0
157.01337	0.6
158.01643	0.4
160.03955	2.0
161.02348	0.3
166.05008	1.4
167.03363	0.9
176.03421	45.0
177.01819	2.1
177.03732	0.9
180.63564	0.3
192.02766	0.3
194.04420	0.3
195.02957	1.1
204.02911	100.0
205.01308	3.9
205.03300	2.6
222.04030	1.2
223.02313	0.9
235.02515	0.3
239.25676	0.3
244.06903	0.8
272.06412	0.6
290.07462	0.4
291.06595	0.3
308.09146	18.2
308.23221	0.3
309.04092	0.3
309.07239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
53.12062	0.2
56.97576	0.3
65.03924	1.3
65.53956	0.3
68.99797	0.3
69.78912	0.3
70.04073	0.4
81.03406	0.9
88.76432	0.3
91.05452	1.3
92.05006	4.5
93.03398	0.5
98.23432	0.7
100.07575	0.3
105.03378	1.1
105.07014	0.5
106.02911	1.0
106.07419	0.3
108.04467	3.7
110.05972	0.3
120.04440	2.0
121.02859	0.7
131.04944	0.5
132.04390	0.3
132.05344	0.6
136.03944	0.4
138.05498	0.4
143.27866	0.3
148.02727	0.6
148.03926	12.2
149.02327	0.6
158.01581	0.3
160.03946	1.5
166.04970	0.8
167.03514	0.3
176.03424	44.9
177.01804	1.2
177.03763	0.9
195.02888	0.7
204.02914	100.0
205.01305	2.6
205.03281	2.8
222.04054	1.3
235.02348	0.5
244.06769	0.4
268.42181	0.3
272.06134	0.3
307.26733	0.3
308.09134	18.3
309.04056	0.3
309.09393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65836	0.6
55.05508	3.1
57.07073	29.2
67.05508	2.2
69.07064	100.0
70.04073	31.5
70.07437	1.3
70.07843	8.0
81.07054	0.9
84.05626	10.5
91.05493	1.3
93.07042	0.7
95.04966	1.3
96.05624	1.8
97.06402	7.2
99.00004	5.0
103.03114	0.8
107.01289	0.6
111.04451	0.8
113.01573	2.2
115.07561	15.6
124.05068	4.7
125.01523	1.6
126.01099	1.1
126.99469	11.1
127.01618	0.7
129.01031	15.8
129.02542	0.8
139.00597	2.5
141.01013	20.4
145.02849	1.1
151.03116	2.0
155.02579	7.9
155.03734	0.7
161.09732	0.7
177.05528	1.4
181.12117	6.5
197.07271	59.2
198.07619	2.1
209.05939	0.8
225.06755	3.2
308.02411	1.8
308.11667	52.1
308.15350	12.4
309.11774	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	308.1523
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
55.05508	2.1
57.07077	9.2
59.04999	7.2
69.07059	1.8
69.89616	1.1
69.89994	1.2
70.04076	100.0
71.08625	1.2
79.05502	0.7
81.07064	1.3
83.08622	3.0
88.95171	0.4
91.05491	0.8
91.21275	0.5
91.21826	0.4
93.07049	1.0
95.08610	0.6
98.22718	0.5
98.98493	0.5
103.05465	0.7
115.05417	3.2
116.06232	3.8
117.60518	0.5
125.01545	35.1
126.01871	0.5
130.07800	1.3
136.08806	0.4
139.03107	3.7
151.03091	16.0
163.62643	0.5
165.04636	4.2
179.06226	1.3
181.01352	0.5
181.07762	0.9
208.96400	0.5
251.30249	0.5
291.19623	0.7
308.15219	51.3
309.15454	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	308.1523
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
57.07069	1.3
57.15316	0.3
59.04992	0.7
62.76370	0.3
65.03947	0.5
69.83917	0.3
69.91102	0.5
69.91478	0.7
70.04073	100.0
71.03776	0.5
71.04391	0.4
72.08147	0.3
83.08633	0.6
84.08145	0.4
90.43203	0.3
95.04924	0.3
98.23450	0.3
100.07632	0.6
111.77682	0.3
115.05463	0.6
116.06224	0.7
121.02853	0.8
125.01537	5.8
139.03099	0.8
143.72711	0.3
149.02348	0.6
151.03099	2.7
165.04648	0.6
167.03450	1.0
173.29927	0.3
177.01825	2.3
195.02888	1.7
204.02872	0.7
205.01234	2.2
223.02393	1.1
291.02631	0.4
308.15216	30.9
308.23041	0.9
309.03690	0.4
309.07480	0.7
309.15521	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	308.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.3
56.05029	10.1
57.03409	1.6
60.06927	1.3
65.03922	2.1
67.05164	2.3
67.05499	29.4
68.05027	10.2
69.03403	1.4
69.05938	2.1
69.06344	6.2
69.07072	2.2
70.04083	1.5
70.06588	82.5
71.04984	4.8
71.07363	5.4
72.04499	3.0
72.08150	62.9
79.05489	20.0
80.04988	3.1
81.05789	2.7
81.07050	26.9
82.06555	1.5
84.04484	4.3
84.08141	8.4
86.06057	3.1
87.09240	1.6
88.07626	22.2
91.05456	3.3
93.07040	4.4
94.06567	2.8
96.08121	6.5
97.08918	1.8
98.06042	13.4
98.09674	6.3
98.22720	3.8
100.07640	7.4
105.03384	1.8
105.06999	3.2
106.06554	2.5
107.08596	7.4
108.04461	1.8
108.08125	9.0
109.08889	2.4
109.10154	11.8
110.09673	25.8
113.08365	1.5
114.09165	2.8
119.04936	1.6
120.08112	10.7
121.08888	1.4
121.10130	1.4
122.09625	6.6
124.11214	3.2
125.10712	3.6
126.09146	100.0
127.09534	3.1
131.04944	1.4
134.09641	5.3
135.10437	1.6
136.11205	13.0
143.11786	15.1
145.02888	1.8
147.04384	5.4
148.11174	3.8
149.11992	3.5
162.12744	3.2
165.06931	1.7
167.11786	2.5
169.09703	17.2
176.03458	2.6
176.14342	4.4
177.01833	3.7
177.05534	2.5
178.15894	88.6
179.16266	3.6
185.12816	3.7
186.12366	1.9
189.07031	2.2
190.07722	2.9
191.08469	7.8
194.15355	7.6
202.07808	1.9
204.02885	3.7
205.01372	2.7
207.08221	1.8
211.18045	5.3
218.07256	2.9
219.08003	17.1
223.02370	1.5
229.07681	2.1
235.07492	3.9
237.08972	2.0
243.78329	1.6
249.19611	26.0
263.07010	20.8
264.07483	2.2
290.22449	1.6
291.06458	8.7
308.09274	1.7
308.23282	75.4
309.07510	3.9
309.23438	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	308.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
56.05042	0.4
57.03436	1.6
58.06590	1.2
62.94064	0.3
63.91349	0.4
64.14632	0.3
64.61808	0.3
65.03938	2.1
67.05494	1.0
68.05035	0.4
69.90215	0.7
69.90552	0.5
70.04065	1.5
70.06585	2.3
71.04985	0.4
72.04511	3.3
72.08152	1.7
80.05002	1.3
81.03403	4.2
81.07044	0.5
82.06578	4.4
84.08143	5.2
88.07630	0.4
91.05472	1.0
93.03390	0.9
93.07040	0.6
94.06531	0.4
96.08123	1.8
98.06065	0.4
98.09673	0.5
100.07613	85.8
101.07937	1.5
103.05469	0.7
109.21758	0.3
110.06007	0.6
110.09677	2.5
112.11230	4.8
119.22629	0.3
120.08096	3.0
121.02873	2.0
122.09649	1.7
124.07558	1.8
126.09143	2.1
127.12353	0.5
129.13879	5.0
131.04950	1.8
135.04451	0.3
136.07509	0.3
136.11186	0.5
138.09132	44.1
139.09450	0.8
140.10710	4.1
143.11815	0.4
149.02328	2.6
149.32764	0.3
152.10678	1.6
154.12216	0.5
155.11809	2.0
163.03903	0.9
165.06985	0.9
166.12253	0.8
167.03378	3.1
169.13356	1.0
171.14915	3.8
176.03415	1.0
177.01813	7.2
178.07863	0.4
178.15939	1.5
179.08594	0.8
180.10181	7.6
189.06984	1.3
189.76921	0.3
190.07715	1.9
191.08536	5.1
192.13864	0.7
194.04402	0.4
195.02870	4.4
196.15697	0.7
201.06978	0.6
202.07826	0.4
204.02902	1.4
205.01295	7.8
207.08025	1.0
209.16522	1.0
218.07239	2.8
219.06042	0.7
219.08037	9.2
220.08408	0.6
223.02351	2.6
229.07564	0.5
235.07516	2.9
237.09029	0.4
237.15900	2.0
239.17564	1.3
249.19553	0.4
263.07028	11.0
264.07275	0.6
275.62515	0.3
280.09470	0.4
281.07980	0.4
290.22214	0.6
291.06488	4.8
308.09018	1.2
308.23294	100.0
309.07535	2.6
309.23584	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	308.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08278	0.7
55.05499	3.4
56.05036	4.8
57.03442	1.2
58.06595	10.1
67.05490	1.5
70.04074	5.9
70.06577	3.5
70.65704	0.8
72.04515	5.3
72.08154	5.7
75.89513	0.8
76.02203	1.1
79.05512	0.8
80.05012	4.4
81.07031	1.3
82.06590	2.1
83.02719	0.7
83.07358	0.9
84.04462	0.9
84.08139	86.6
84.74304	0.8
85.02905	1.3
85.08474	1.4
94.06561	3.2
95.04951	1.3
95.08601	2.8
98.09708	1.2
100.07613	100.0
101.07946	1.4
103.93972	0.7
105.07044	0.7
110.09664	7.4
112.11236	59.5
113.11585	1.2
120.08135	1.7
122.07089	0.8
122.09660	8.1
123.08061	1.1
124.07590	1.2
125.10757	1.3
127.12318	11.2
129.10257	1.4
129.13875	37.9
130.12317	0.9
130.51930	0.8
134.09679	1.3
138.09120	0.8
140.10696	56.8
142.12277	6.9
144.04726	0.8
152.10696	4.3
154.12282	4.2
155.11771	10.4
162.09183	0.8
162.12746	1.3
169.13354	20.2
171.14912	7.4
180.10196	19.9
180.13786	7.5
192.13857	5.3
197.16534	1.3
219.02049	1.3
220.02086	1.5
221.01979	0.9
239.17438	1.0
257.56598	0.7
261.03055	6.3
262.03159	10.3
263.02872	3.6
266.22266	9.0
290.22275	1.6
308.15494	2.2
308.23306	84.5
309.23865	3.5
331.11145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92962	0.7
53.03935	2.4
54.03452	1.9
55.01860	0.9
55.05516	4.8
56.05038	5.2
56.43050	0.6
65.03931	1.4
65.42605	0.6
65.67465	0.8
67.05160	1.1
67.05505	18.8
68.05029	3.8
69.03428	5.0
69.05816	0.9
69.07056	1.2
70.04075	0.8
70.06591	55.0
71.01350	1.2
71.05000	4.5
71.07363	3.0
72.04512	2.2
72.08153	36.7
79.05493	10.7
80.05020	1.9
81.03417	7.9
81.05807	1.5
81.07053	18.0
82.03741	3.1
82.06575	1.5
83.04988	4.2
84.04491	2.5
84.08147	6.3
85.02888	1.6
86.06068	1.7
87.09216	0.9
88.07129	1.4
88.07626	14.9
89.03915	7.5
91.05468	2.5
91.25719	0.7
93.07040	2.0
94.06551	1.8
95.04964	1.2
95.17340	0.6
96.04472	2.1
96.08115	3.2
97.08925	0.7
98.06053	8.1
98.09699	3.8
100.07615	5.3
103.05478	1.3
105.07021	2.5
106.06553	1.4
106.07343	1.0
107.04946	2.9
107.07397	0.7
107.08591	6.3
108.04481	2.1
108.08118	5.9
109.02885	3.4
109.08887	1.3
109.10139	5.8
110.09676	18.7
111.04432	1.8
113.07117	0.9
114.09172	1.8
117.03391	8.6
118.03713	1.0
120.08094	7.2
121.02904	0.9
121.08897	1.4
121.10148	0.8
122.09666	4.0
123.10445	0.8
124.07606	1.2
124.11213	2.4
125.09694	0.8
125.10739	2.5
126.09153	66.4
127.03844	1.3
131.04918	4.0
132.05231	2.2
134.09680	3.5
135.04407	21.5
135.10411	2.1
136.04695	1.8
136.11223	7.6
143.11809	11.4
145.02852	13.3
146.03256	1.4
148.11189	3.0
149.02350	2.0
149.09636	1.2
149.12016	2.2
150.12878	1.6
157.01273	0.8
157.09746	1.6
158.01721	1.1
162.12750	1.8
163.03899	100.0
164.04242	11.3
167.03452	0.8
167.11792	1.7
169.09726	11.0
176.14310	3.5
177.01808	3.5
177.05458	0.9
178.15907	69.7
179.16193	2.2
181.04834	0.6
182.42799	0.7
183.11357	1.5
185.12819	2.5
186.12370	2.6
191.08406	0.8
194.15414	7.1
195.02875	1.7
204.02943	1.3
204.13814	1.2
205.01305	3.0
211.18033	5.1
219.03185	0.8
219.08073	2.0
223.02347	1.4
235.17973	0.9
237.19514	0.9
239.17680	0.8
244.06900	2.0
249.19608	18.6
249.22095	1.2
263.07092	1.7
272.06329	1.9
273.07660	1.0
279.20688	1.4
280.09677	0.8
282.83597	0.7
291.08752	0.8
304.28638	0.7
308.08441	7.4
308.23303	54.0
309.09705	2.3
309.23724	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	308.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78665	0.5
53.03939	1.1
55.01850	0.6
55.05483	0.6
56.05027	0.7
57.03428	1.0
58.06616	0.7
65.03941	2.6
67.05499	2.1
68.05022	0.8
68.99791	0.9
69.03413	0.9
69.71044	1.5
69.71368	0.5
70.04065	3.0
70.06584	4.6
71.01380	0.6
71.04974	0.7
72.04514	3.8
72.08154	3.5
77.03940	0.5
79.01831	0.9
79.05505	1.1
80.04986	1.0
81.03407	5.1
81.07037	1.4
82.06564	3.8
84.08138	5.8
88.07624	1.3
89.03910	0.8
91.05463	1.8
93.07047	0.6
95.04954	0.6
96.08115	2.0
97.02880	1.9
98.06039	1.2
98.09681	0.8
100.07613	83.8
101.07951	0.9
103.05460	2.5
105.03392	1.0
105.07008	1.4
106.07357	0.7
107.01325	2.0
108.01617	0.7
108.08128	1.0
109.02866	1.3
110.06049	0.6
110.09681	3.6
111.04436	0.7
112.11246	4.8
117.03365	1.6
120.04533	0.5
120.08112	3.7
121.02863	3.0
122.09649	3.1
124.07569	1.5
126.09142	6.2
129.13890	5.6
131.01303	1.4
131.04907	4.5
132.05235	1.1
135.04378	1.7
136.03946	1.5
136.11249	0.7
138.09129	41.5
139.09486	0.6
140.10704	5.0
143.11758	0.5
145.02844	1.9
147.04391	1.5
149.02336	4.6
152.10739	1.2
155.11775	2.8
157.01286	1.1
160.03946	0.6
163.03902	8.8
165.07024	0.7
166.12309	0.8
167.03398	2.2
169.09689	0.7
169.13281	0.6
171.14917	4.3
176.03532	1.5
177.01825	9.9
177.05461	1.5
178.07721	0.8
178.15906	5.4
179.08577	0.9
180.10178	8.2
184.17503	0.6
185.00793	0.7
187.00259	1.4
189.07018	1.7
190.07768	3.0
191.08572	6.3
192.13791	0.9
193.01370	0.5
194.01599	0.7
194.04506	1.5
194.15402	1.5
195.02895	5.8
196.15779	1.1
202.07759	1.2
204.02911	5.7
204.06416	0.8
205.01317	13.2
205.03215	1.1
207.08051	1.6
209.16559	1.1
213.96837	0.6
218.07237	3.4
219.08043	12.1
220.08331	0.8
221.00618	0.6
222.01126	0.8
222.04030	0.8
223.02481	3.1
223.04201	0.5
229.07663	1.4
235.07507	2.9
237.08978	0.7
237.16011	1.6
238.16548	0.5
239.17439	1.2
244.06923	1.0
249.19629	1.6
263.06998	15.7
264.07385	1.5
272.06308	1.2
279.03098	0.6
280.09689	1.9
281.08063	1.1
288.37869	0.5
290.49298	0.6
291.06467	9.6
292.06714	0.9
308.09271	3.0
308.23297	100.0
309.07330	5.2
309.23608	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	308.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	1.4
55.05496	6.1
56.05043	9.7
57.50267	1.3
67.05164	1.6
67.05505	28.3
68.05021	5.0
69.03432	2.1
69.07063	2.2
69.10120	8.3
70.04105	1.2
70.06591	73.5
71.01334	3.4
71.04979	4.1
71.07366	2.4
72.04523	2.2
72.08154	53.4
76.27859	1.3
79.05492	11.9
80.05021	3.3
81.05791	1.9
81.07061	20.4
82.06577	2.3
84.04493	3.2
84.08141	7.9
86.06055	1.8
87.09219	2.4
88.07627	20.9
91.05476	2.3
93.07049	3.3
94.06585	2.3
94.33652	1.5
95.08601	1.3
96.04485	3.5
96.08126	5.2
98.06057	13.4
98.09698	6.7
100.07599	6.1
103.05468	2.4
105.07019	4.2
106.07359	3.0
107.08600	6.8
108.04481	4.4
108.08093	6.2
109.08891	1.3
109.10150	9.6
110.09678	19.7
114.09175	3.1
120.08111	9.0
121.08906	1.9
122.09700	6.2
124.11235	3.9
125.10770	4.8
126.09153	100.0
127.09488	2.4
131.04909	6.4
132.05273	7.8
134.09650	5.0
135.10416	1.5
136.11206	10.8
143.11786	13.8
148.11249	2.7
149.12004	2.8
150.12755	1.3
157.01341	5.0
157.09708	2.7
158.01660	3.0
162.12727	2.3
163.03897	9.4
166.99821	2.1
167.11812	2.7
169.09720	15.3
176.14314	6.3
178.15906	86.7
179.16283	3.1
183.92374	1.1
185.12823	3.5
186.01189	2.0
186.12294	1.9
194.15361	7.3
204.02750	1.9
204.13759	1.4
205.01285	1.5
206.56403	1.2
211.17992	7.0
244.06898	6.5
249.19618	26.2
272.06357	3.6
280.09583	1.6
290.07425	1.4
308.23297	80.1
309.23663	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	308.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.2
56.05026	3.3
56.66867	0.8
57.83418	0.8
58.06596	8.8
62.90302	0.8
70.04070	3.8
70.06593	4.9
72.04522	6.3
72.08148	3.9
80.05017	5.7
82.06587	1.5
84.08142	78.7
85.08466	1.0
93.05768	1.4
94.06564	2.7
95.08615	1.3
98.06023	1.2
100.07616	100.0
101.05858	1.1
101.07979	1.2
108.08131	1.1
110.05997	0.9
110.09660	5.4
112.11241	58.1
113.11565	0.9
117.47166	0.9
119.01920	1.9
120.08096	3.0
122.09660	8.2
124.07521	1.0
125.10697	1.1
127.12319	11.5
128.10698	0.9
129.10220	2.2
129.12909	2.0
129.13879	41.7
140.10701	58.9
141.11104	1.3
142.12273	6.3
152.10707	5.7
154.12299	3.7
155.11790	9.6
162.12776	1.0
169.13362	22.3
171.14922	7.6
177.00954	1.8
178.01060	2.4
179.00739	1.1
180.10190	19.5
180.13861	6.7
192.13812	4.4
197.16502	1.4
219.02010	2.5
220.02080	3.8
221.01767	1.0
237.16234	1.0
244.02136	2.0
245.01811	1.5
249.04875	1.4
253.04639	1.0
261.03064	6.2
262.03204	20.5
263.02878	8.5
266.22253	8.2
267.06235	1.3
285.04642	1.2
290.22314	1.5
308.23303	80.4
309.23697	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	309.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
56.70001	1.6
57.36355	1.6
65.03939	20.6
67.05504	3.0
68.99785	5.4
70.04054	6.0
70.06573	6.9
70.27712	2.1
70.28046	3.5
72.08141	3.2
81.03398	11.2
84.08119	2.9
91.05457	6.7
93.03386	6.0
100.07606	26.1
103.01756	1.9
103.05463	2.4
104.05635	1.8
105.07055	3.1
106.31811	1.8
109.02882	7.3
110.09657	2.4
111.04395	1.7
112.11242	2.1
121.02850	23.0
122.09613	2.3
131.04950	3.1
135.00806	2.0
137.02304	2.0
140.10728	8.5
142.12274	9.6
147.04404	6.1
149.02335	28.2
152.10692	4.5
161.02313	10.5
167.03380	31.8
171.14923	9.1
176.03366	2.5
177.01814	69.1
177.03436	2.5
194.15294	2.0
195.02864	38.6
204.02882	3.9
205.01303	100.0
205.03189	5.1
206.04448	7.0
223.02327	37.9
224.05377	1.9
265.04987	1.8
268.23953	2.0
268.65543	1.7
281.08063	4.0
281.11292	2.1
292.23914	2.4
309.01074	2.5
309.03839	5.6
309.07339	27.4
309.10822	2.9
310.24854	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
59.04994	12.4
67.05505	3.4
67.87902	3.1
69.03414	2.8
69.07066	5.0
69.57195	9.2
69.57567	5.4
70.03091	3.2
70.04076	5.1
75.71712	2.7
77.30338	3.3
79.05487	6.6
81.07046	4.9
84.89247	2.8
93.07030	7.2
95.04965	4.0
99.08080	8.3
100.71577	2.9
102.65255	3.3
127.07585	3.3
141.07108	3.0
153.11752	3.0
163.03911	5.1
181.01387	7.4
188.97940	100.0
194.16579	3.2
206.99007	28.0
263.16711	2.9
281.04468	6.9
291.19574	6.2
304.72455	3.1
309.03729	55.3
309.11142	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	309.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37234	1.4
67.05521	2.1
70.04069	6.8
79.05521	2.6
81.07046	3.0
86.83427	1.6
91.05492	2.1
97.02887	3.1
105.07045	2.9
109.06494	1.5
117.03439	1.8
119.04971	3.2
119.08567	1.8
145.02809	4.3
147.04405	6.5
161.06233	1.6
177.05450	6.9
178.07780	3.6
181.01311	6.8
188.97945	77.3
189.07034	8.7
189.98204	1.9
200.34441	1.9
205.06482	5.0
206.07321	7.6
206.99023	24.3
217.06519	12.5
223.07494	9.2
233.05943	2.7
234.06749	40.7
235.07440	3.5
245.05969	5.7
249.09081	36.0
250.06197	2.0
250.09471	2.4
251.07022	24.9
252.69359	1.6
262.06247	24.8
263.06998	4.4
265.08594	19.0
266.09317	8.5
277.08588	76.5
278.09277	4.9
279.06506	14.3
281.04453	5.9
281.11676	2.1
293.07986	1.7
294.08829	51.5
309.03903	30.4
309.11188	100.0
310.11404	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	309.0758
Annotation	3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
Peak:m/z	Relative Intensity
53.03948	0.4
65.03934	1.3
68.99783	2.0
69.94746	0.8
72.42162	0.3
77.03909	0.7
79.49200	0.2
81.03406	1.1
91.05494	2.9
93.03439	0.3
95.04963	0.3
96.75842	0.2
98.23491	0.4
100.07604	0.9
103.01836	0.4
105.03383	1.4
105.04501	0.2
105.52052	0.2
107.01337	0.5
109.02877	2.8
110.09741	0.3
121.02841	1.4
121.07209	0.2
128.45113	0.2
130.07045	0.3
132.02075	0.9
133.02844	0.5
135.00761	3.5
137.02335	14.6
142.12221	0.6
149.02333	2.4
152.10689	0.3
157.31844	0.2
159.00667	0.3
161.02333	37.1
162.02736	1.1
167.03345	0.5
171.14925	0.3
177.01825	4.8
194.91377	0.2
195.02898	0.7
205.01320	100.0
206.01662	2.7
223.02386	2.0
262.16455	0.3
281.08102	0.2
291.02600	0.8
309.07553	25.0
310.07739	1.2
310.24905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
55.05504	1.0
59.81937	0.2
60.31870	0.3
67.21423	0.2
69.03423	2.5
69.37559	0.5
69.37965	1.1
70.04078	0.5
71.05004	0.4
77.03947	0.2
79.04339	0.3
79.05484	1.3
83.04984	3.9
85.02905	1.6
89.03909	7.1
91.05474	0.4
95.04945	0.5
97.02911	0.3
99.04460	0.3
107.04952	2.5
111.04446	2.0
117.03378	10.2
117.04205	0.5
118.01411	0.2
118.30585	0.2
118.63232	0.2
122.05486	0.2
123.04424	1.0
127.03888	0.3
129.05434	0.5
135.04411	21.3
136.04709	0.4
145.02844	13.4
145.03854	0.5
146.03233	0.3
147.04431	0.4
161.05980	0.3
163.03897	100.0
164.04202	2.4
165.05524	0.5
175.03944	0.3
177.05476	0.8
181.04955	0.7
188.97890	0.3
189.05489	0.4
191.03386	0.3
193.04976	0.3
205.05028	0.4
217.04930	0.5
273.07529	0.6
281.11737	0.3
291.08658	1.1
309.09650	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	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13945	0.3
55.01867	0.4
55.05506	1.5
56.75600	0.3
57.03430	0.5
58.06599	0.4
59.25957	0.2
63.02367	0.3
65.03925	0.5
67.05488	0.8
69.03419	2.1
69.07039	0.3
70.04094	0.3
70.06592	2.6
70.73666	0.3
70.74020	0.6
71.01350	0.5
71.04982	0.9
72.08150	0.6
74.06057	0.4
79.05500	1.6
80.05003	0.4
81.03413	0.9
81.07047	0.6
83.04975	4.6
84.08155	0.4
85.02896	1.3
89.03915	7.7
91.05468	0.6
93.07049	0.4
95.04940	0.7
95.08644	0.3
99.04392	0.4
100.07606	5.8
101.51240	0.3
103.05459	0.6
107.04943	3.8
107.08553	0.5
109.02850	0.7
110.09679	0.8
111.04443	2.0
117.03368	11.0
121.02854	0.5
122.06092	0.3
122.09672	1.4
123.04414	1.0
124.07634	0.6
126.09154	0.8
127.03873	0.4
131.04898	1.2
135.04407	22.5
136.04765	0.6
136.11148	0.4
140.10681	1.1
142.12276	1.2
145.02837	16.9
146.03178	0.6
149.02327	0.7
150.27620	0.3
152.10693	0.8
161.06044	0.5
163.03891	100.0
164.04205	2.6
165.05579	0.5
167.03366	0.4
168.10210	0.6
171.14894	0.9
177.01828	1.6
177.05396	0.6
178.15959	1.2
181.04926	0.4
187.14458	0.3
189.05472	0.5
194.15382	1.9
195.02946	1.0
195.15610	0.4
205.01294	0.9
205.04930	0.4
217.04900	0.7
217.69203	0.3
223.02345	0.7
224.16565	0.4
272.71118	0.3
273.07532	0.7
291.08615	0.8
292.23712	0.3
308.23285	0.8
309.10016	1.9
310.10471	0.4
310.24875	4.3
320.51984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92377	0.2
55.01866	0.3
55.02974	0.5
56.03777	1.6
57.03429	0.4
59.03485	0.3
59.03735	3.5
61.02900	0.7
65.44444	0.2
69.03420	1.2
70.04046	0.3
70.06577	0.6
70.19518	0.5
73.02906	0.3
73.04037	1.4
81.03429	0.6
85.02891	2.9
86.09713	0.2
97.02875	1.0
98.86438	0.2
101.05871	100.0
102.05594	0.4
102.06213	1.1
108.56205	0.2
109.02856	0.3
122.07106	0.4
126.01061	0.6
127.03899	0.4
139.16557	0.2
145.05025	0.4
147.05110	30.6
213.12440	0.3
241.24506	0.2
263.02829	0.7
263.11209	0.3
309.10159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37914	0.9
53.03905	1.3
55.05504	3.5
57.03436	10.1
59.05008	1.8
61.02917	2.0
69.03421	3.4
70.04069	9.0
70.06583	1.4
71.00552	1.2
71.01335	1.0
71.04989	26.3
72.08143	2.2
73.02917	5.2
73.81942	0.9
75.04475	12.6
77.90907	1.0
81.03403	1.8
81.07046	1.2
83.04984	5.7
84.08137	2.0
85.02901	100.0
86.09677	1.1
87.04462	2.4
91.05475	1.0
97.02898	3.8
98.98433	1.5
99.04461	2.5
100.07589	1.1
101.06013	2.0
103.03951	2.1
111.04448	2.2
119.04909	1.3
120.08054	1.3
127.03889	2.9
129.05470	18.9
131.06841	1.0
136.06189	1.4
147.04480	2.7
147.06494	8.1
148.06761	1.1
151.35236	0.9
163.03894	1.5
173.12933	1.1
181.39577	0.9
309.14600	4.1
310.24908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01876	1.2
55.05505	2.2
57.03436	11.5
61.02914	2.2
65.03946	1.7
67.05495	3.1
68.99765	1.3
69.02088	0.8
69.03416	2.5
70.06590	2.7
70.82657	1.6
71.01357	1.4
71.04990	26.5
72.08159	1.7
73.02917	5.7
75.04478	13.1
77.83398	0.8
78.01804	0.7
79.05486	1.2
81.03413	1.8
82.06573	1.2
83.04987	5.6
84.08161	1.3
85.02901	100.0
86.03252	1.3
87.04460	2.7
91.05501	3.9
93.03407	2.6
95.04961	10.2
96.04494	1.7
97.02895	5.0
99.04457	1.8
100.07612	9.9
101.05964	1.0
103.03899	0.9
103.05441	1.4
105.03387	2.3
107.04969	1.9
109.02888	2.1
110.06036	30.5
110.09682	0.8
111.04445	2.8
112.07541	0.7
112.11280	1.2
121.02867	19.7
122.06064	2.0
125.09686	0.8
127.03947	3.5
129.05472	20.7
131.04922	5.0
132.04420	1.0
133.02823	1.6
135.04413	3.1
138.05516	8.4
140.10725	1.3
142.12268	2.0
145.04980	2.0
147.00705	1.5
147.04449	1.1
147.06532	13.5
147.09160	1.1
150.05457	2.2
151.03893	2.5
152.10742	1.7
157.13408	0.9
160.03961	1.3
161.02365	7.5
163.03926	1.6
164.03441	1.7
165.01842	1.2
167.03419	1.0
169.13400	0.7
171.06572	0.9
171.14969	2.4
176.14458	0.8
177.01912	1.1
178.05002	5.7
179.03362	1.0
188.03387	0.8
189.01845	8.7
194.15433	1.7
195.02885	2.0
205.01349	2.1
206.04478	39.3
224.05617	3.0
293.08197	1.1
307.61691	0.9
309.07309	0.8
310.10724	22.7
310.24881	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	309.1543
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.03917	2.1
55.01868	2.7
55.05507	8.7
57.03435	7.9
59.05000	1.2
59.05465	0.8
61.02926	8.7
67.05495	2.2
69.03068	1.5
69.03426	19.7
69.07059	3.2
70.34150	1.1
70.34479	1.6
71.01358	1.9
71.04976	2.3
72.08128	1.9
73.02905	2.9
79.05481	2.5
81.03414	9.0
81.07050	1.0
83.08614	17.5
84.04491	1.8
84.08144	1.2
85.02899	100.0
87.04445	2.1
91.03966	5.2
91.05462	4.1
93.07047	1.7
95.04960	5.7
95.08595	1.1
97.02887	21.1
97.06529	2.2
99.04445	3.6
101.09645	10.8
103.03920	1.6
105.07011	3.5
107.04977	1.1
107.08568	2.1
109.02873	8.4
109.06487	1.3
114.10301	1.6
117.06918	1.0
119.08631	1.0
120.08102	2.0
123.04394	2.3
127.01510	1.9
127.03909	18.3
133.06586	1.3
142.07777	1.0
145.04945	18.5
145.10077	1.0
147.04437	1.1
147.10117	1.3
163.06088	1.5
163.11171	1.4
164.09317	26.2
169.01219	1.5
185.00819	1.2
207.13579	1.0
234.06810	1.8
235.13187	2.0
249.09210	1.4
263.86496	0.9
277.08517	1.3
277.39014	0.8
309.03949	1.2
309.06918	1.7
309.10657	3.1
309.19476	6.4
310.11334	1.9
310.15253	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03933	1.4
54.62310	0.6
55.01870	4.7
55.05259	0.8
55.05509	11.0
57.03431	1.2
57.07065	2.2
59.04985	1.1
65.03934	1.1
67.05501	23.8
67.05865	1.2
69.03420	1.1
69.07063	10.7
70.04071	59.4
70.93658	1.1
71.03776	3.0
71.04393	5.6
71.04987	1.7
71.08618	0.8
77.03936	1.3
79.05484	15.4
80.14264	0.7
81.03401	1.9
81.07051	35.8
82.07392	0.8
83.04981	4.1
83.08614	5.6
85.02916	1.0
85.06538	2.2
91.05469	16.9
93.07037	19.7
95.04954	4.4
95.08598	20.3
97.02900	0.8
97.06511	2.0
97.10165	3.1
99.04443	1.0
105.07022	23.3
107.04951	1.5
107.08586	25.1
107.72804	0.6
109.06499	2.8
109.10149	29.8
111.04430	1.4
111.08057	1.7
111.11762	0.7
113.06028	1.3
115.05442	1.1
117.07024	3.9
117.41042	0.7
119.08576	16.7
121.06493	2.2
121.10130	11.2
123.08050	1.8
123.11691	6.2
125.01534	2.2
125.09631	0.9
126.01879	1.3
127.01187	1.2
127.07540	0.8
128.06192	1.0
129.07002	4.3
130.07755	1.0
131.08557	10.0
133.06464	1.7
133.10120	29.5
134.10454	1.0
135.08047	1.3
135.11679	6.8
137.09680	0.9
137.13228	1.3
139.07529	0.7
141.06921	1.1
142.07794	1.9
143.08533	8.1
145.10106	13.7
147.08015	1.7
147.11655	7.2
149.09587	0.8
149.13252	4.4
151.11168	14.7
152.03430	1.0
155.08524	3.3
156.09314	2.1
157.10101	10.0
158.10892	0.9
159.11682	10.4
161.09665	2.1
161.13243	6.0
163.11195	1.0
163.14772	2.0
168.09302	0.8
169.10104	4.2
169.12267	3.9
170.10867	1.4
171.11659	9.8
172.12039	0.9
173.13232	8.0
175.11258	1.0
175.14766	3.1
181.10086	0.8
183.11668	5.2
184.12340	0.7
185.13231	9.6
186.13797	0.7
187.14772	5.6
189.12808	1.1
189.16321	1.0
195.11792	1.1
196.12288	0.9
197.13269	4.0
198.14034	0.7
199.14798	9.1
201.16335	4.9
209.13286	0.9
211.14781	4.6
211.46013	0.6
212.15419	0.7
213.16364	7.8
215.12767	1.4
215.17915	2.9
225.16428	5.2
227.17940	6.3
237.16501	1.2
239.17920	6.5
241.19424	1.2
245.18967	3.0
251.18103	0.8
253.19490	8.4
255.17342	1.1
263.19998	2.8
265.19482	0.8
267.21036	3.5
273.18423	6.5
281.22595	1.4
291.19550	11.6
309.03629	0.8
309.15628	11.6
309.20740	3.6
309.25720	100.0
310.14896	7.9
310.25986	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03961	2.3
54.66826	2.4
55.01870	10.6
55.05506	14.1
57.03435	33.4
57.07083	3.4
65.03945	3.8
67.05502	44.8
69.07071	18.2
70.04065	14.7
71.04983	7.4
71.42377	3.5
79.05490	38.9
81.03457	3.3
81.07055	40.1
83.08621	8.3
85.06535	26.3
85.10198	2.3
91.05466	24.3
93.07037	28.5
95.04966	40.5
95.08603	26.6
97.06544	6.0
98.98476	3.2
105.07006	19.3
107.04960	4.3
107.08598	19.2
108.67802	2.5
109.06513	44.8
109.10161	6.2
111.08060	4.2
113.06002	100.0
117.07014	10.0
119.08578	16.1
121.10167	12.9
123.08076	4.8
128.06227	3.0
129.07008	5.7
131.08580	13.6
133.10107	12.5
135.08061	31.1
135.11700	7.5
137.09570	3.3
143.08557	6.5
145.10130	7.8
147.08034	2.9
147.11667	6.1
149.09573	5.3
151.11121	3.1
157.10103	6.1
159.11717	5.3
161.09602	6.5
161.13234	6.0
163.11156	3.6
165.09099	3.0
175.11263	4.7
177.12729	4.2
178.63374	2.4
196.51407	2.7
199.14824	3.8
217.15771	12.1
235.17084	3.6
255.17497	3.7
273.18521	16.5
277.21634	5.1
291.19498	52.0
309.03561	4.0
309.15408	4.3
309.20557	12.7
309.24326	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02376	1.6
53.03933	7.6
55.01870	14.8
55.05508	70.9
57.03434	12.7
57.07062	5.1
58.03085	1.8
59.04998	3.6
61.90608	1.7
65.03930	3.5
65.81618	1.6
67.05163	3.7
67.05502	58.5
69.03417	8.6
69.07061	25.6
69.55797	7.8
70.04076	15.1
70.07413	2.0
71.04985	9.2
72.08146	1.9
73.06543	1.9
75.43553	1.8
75.44006	1.6
77.03914	2.4
79.05486	95.3
81.03413	20.3
81.06561	3.3
81.07049	72.8
83.04977	12.3
83.08615	33.7
85.06532	8.4
91.05470	40.9
93.07037	100.0
95.04964	42.6
95.08600	47.3
96.44756	1.9
97.06523	13.0
97.10162	51.7
98.98468	2.3
99.08092	6.2
101.09663	1.8
103.05450	1.9
105.04532	5.2
105.07014	30.2
107.04939	8.2
107.07917	2.7
107.08588	27.9
109.06507	16.2
109.10149	13.2
111.04433	5.5
111.08068	8.0
113.05990	17.4
115.05431	2.6
117.06992	13.4
119.08580	21.6
121.06483	7.8
121.10129	33.9
123.04446	1.9
123.08060	52.5
123.11705	7.6
125.06039	2.1
125.09622	41.3
129.07016	5.6
131.08569	13.1
133.06468	2.4
133.10126	10.8
135.08067	10.5
135.11705	8.8
137.09648	8.8
143.08492	4.2
143.10654	2.1
145.06491	3.8
145.10101	8.8
147.04367	3.2
147.08057	8.6
147.11696	6.0
149.09625	5.9
153.09120	4.6
153.12735	2.9
155.08545	1.7
157.10120	7.4
159.08083	3.3
159.11681	5.9
160.57204	2.1
161.09581	3.6
161.13232	2.1
163.11130	10.0
165.09099	6.6
169.10072	2.3
169.12221	4.0
171.10243	2.5
171.11670	4.2
175.11209	3.6
177.12730	2.3
181.01344	3.7
181.12260	2.8
185.13391	1.8
187.11186	2.4
187.13255	3.1
189.11203	28.8
189.12794	2.4
189.47501	1.8
193.12267	4.8
195.13737	2.6
197.07278	2.0
199.14912	1.9
211.13290	3.6
217.15936	8.7
221.15367	1.8
223.13306	5.7
235.16881	1.8
245.18932	2.5
249.14850	2.6
255.17511	5.0
263.20090	2.0
273.18466	22.7
277.08542	2.4
281.04468	1.8
291.19504	48.7
292.19913	2.4
309.03986	5.6
309.11270	5.3
309.16272	8.3
309.20560	21.4
310.11316	2.0
310.14594	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03943	8.0
55.01870	48.4
55.05506	32.9
57.03434	38.5
57.07064	4.4
59.04984	3.8
59.31240	2.3
64.62988	2.0
65.03938	3.9
67.05499	85.9
67.62542	2.3
69.03423	7.9
69.07063	40.3
70.04070	16.0
70.55595	2.2
70.55914	2.9
71.04980	12.5
75.04473	2.5
77.03894	2.6
79.05486	66.6
79.05946	3.9
81.03416	20.7
81.07050	100.0
83.04977	25.1
83.08599	12.9
85.06539	9.3
91.05471	47.8
93.07038	55.5
95.04964	33.9
95.08601	48.8
97.06523	43.7
97.10162	13.2
99.04456	13.6
99.08102	11.9
105.07017	44.1
107.04944	23.8
107.08584	39.8
109.06520	45.9
109.10142	37.8
111.04428	57.9
111.08074	7.0
115.05436	2.6
117.07009	22.2
119.08574	27.6
121.02895	2.4
121.06496	13.3
121.10141	16.8
123.08067	15.2
123.11708	7.9
125.09599	10.8
127.07523	4.0
128.06207	2.6
129.07011	13.3
131.08551	25.8
132.50940	2.5
133.06479	4.7
133.10123	34.3
135.08046	17.7
135.11679	8.9
135.28152	2.3
137.09583	19.8
139.11230	4.5
141.06961	2.3
143.08585	10.1
145.06470	4.1
145.10101	23.2
147.08063	9.3
147.11688	7.1
149.09612	14.5
149.13248	4.2
151.11151	13.0
153.09100	14.9
155.08592	2.6
157.10120	14.3
159.11705	13.7
161.09612	12.1
161.13235	3.6
163.11191	7.1
169.10071	2.3
171.11650	6.8
173.09575	3.4
173.11745	8.8
173.13283	8.5
175.11211	10.1
177.12759	5.5
179.10674	3.5
181.01334	3.9
183.11664	3.9
185.13345	3.6
187.11189	4.1
189.12787	4.1
191.14217	2.4
193.12254	4.1
195.13777	3.0
199.14836	5.3
201.12750	4.7
203.14380	3.3
205.12373	3.5
217.15843	12.2
219.13814	7.3
221.15343	5.4
227.17902	5.4
233.15498	2.9
235.17014	2.7
238.71240	2.4
245.19057	7.2
249.14853	7.3
255.17468	7.7
263.20126	15.2
267.15878	2.9
273.18497	41.8
281.04391	2.9
291.19516	73.3
292.19711	4.4
309.04071	4.2
309.11209	4.8
309.20532	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03926	9.6
55.01863	22.1
55.05507	73.8
57.03430	46.4
67.05497	63.9
68.55057	4.7
69.03418	5.5
69.07059	18.3
69.30395	30.5
70.04077	8.1
71.04995	8.1
79.05484	72.4
81.07048	88.0
83.04988	14.3
83.08621	22.2
85.06536	12.5
91.05470	57.7
93.07047	38.9
94.03886	4.9
95.04975	19.1
95.08603	24.9
97.06548	10.6
97.10159	33.9
98.98467	7.7
99.08105	11.4
105.07008	38.7
107.04934	55.0
107.08588	37.5
109.06528	32.1
109.10139	19.6
111.04454	8.7
111.08067	6.4
117.07026	38.4
119.08555	70.0
121.06496	21.3
121.10130	13.3
123.08054	23.2
125.09637	28.7
128.06270	6.8
129.06982	15.2
131.08556	35.7
133.10147	7.3
135.08031	19.0
143.08524	10.9
145.10129	34.5
147.08046	32.5
147.11668	9.5
149.09581	7.6
157.10104	16.3
159.08055	5.4
159.11699	11.2
161.09633	18.0
163.11220	7.6
173.13193	14.1
175.11165	5.5
182.15433	13.4
183.11623	8.0
185.13351	5.8
189.11218	14.0
201.12727	5.3
204.35439	5.6
210.14949	13.6
219.13805	20.7
223.13300	12.6
249.14824	11.5
273.18497	69.4
279.39313	5.8
291.19507	100.0
309.20309	13.3
313.68713	6.1
325.11337	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	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.58484	0.9
53.03939	2.1
55.01871	2.1
55.05513	4.3
57.03440	1.3
57.07071	2.5
57.53170	0.9
59.05000	1.4
67.05502	8.4
67.31055	0.8
69.07064	5.9
69.53851	1.7
69.54240	2.1
69.65643	0.9
70.04076	100.0
71.03784	3.7
71.04401	9.1
71.08629	1.6
79.05491	7.0
81.03430	1.5
81.07063	11.3
83.04994	1.1
83.08616	3.4
91.05463	8.7
93.07035	16.1
95.04971	11.9
95.08600	11.2
97.06532	3.5
97.10170	1.0
99.08106	1.3
103.05486	1.6
105.07026	19.0
107.04949	1.1
107.08579	10.8
109.06557	2.6
109.10149	6.1
111.08090	0.9
115.05443	2.1
117.07053	4.2
119.08572	14.8
121.06515	2.5
121.10143	15.9
123.08047	2.1
123.11728	2.8
125.01549	3.0
126.01846	1.4
127.01253	2.7
128.06209	1.7
128.84671	0.8
129.07024	3.8
130.07773	2.2
131.08557	9.1
133.06412	1.1
133.10136	11.1
135.08104	1.7
135.11719	2.7
141.07016	2.4
142.07793	3.3
143.08536	7.4
144.09306	2.0
145.10127	12.6
147.11688	3.5
149.09677	0.9
152.03474	0.9
155.08549	2.9
156.09370	4.2
157.10132	9.1
158.10852	1.5
159.11685	7.5
161.09618	1.9
161.13274	2.4
167.08606	1.7
169.10117	4.7
170.10919	1.3
171.11658	6.1
173.13248	3.8
175.14842	2.6
181.10156	2.5
182.10942	1.1
183.11710	3.8
185.13300	3.1
187.14836	4.5
192.09352	2.0
193.10178	2.7
194.10828	2.2
195.11737	4.5
197.13281	3.7
199.14809	2.3
207.11740	3.1
209.13206	4.8
210.13895	1.0
211.14842	3.1
220.12518	2.0
221.13182	2.5
223.14821	2.0
223.63696	1.0
225.16388	2.3
235.14825	3.2
235.17088	0.9
236.15483	1.4
241.19452	0.9
242.45976	0.9
247.14780	1.0
249.16409	1.4
253.15753	2.3
261.16211	0.9
265.19543	1.2
281.22470	1.5
291.20975	4.0
309.15506	18.7
309.21948	26.7
310.14905	10.6
310.22339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38956	1.4
53.03954	1.4
55.05513	9.7
56.05843	2.2
57.07074	3.5
62.27137	1.4
67.05494	9.9
69.07067	7.2
69.82024	4.5
70.04073	100.0
71.03772	4.1
71.04405	9.1
79.05502	9.2
81.07049	15.0
83.04976	7.9
83.08613	3.5
91.05476	9.9
92.63882	1.7
93.07041	16.0
95.04965	14.6
95.08593	9.0
97.06531	5.8
98.98440	1.6
105.07011	21.0
107.04965	3.4
107.08584	10.8
109.06519	2.4
109.10143	6.1
115.05444	1.8
117.06999	2.8
119.08588	12.4
121.10132	21.3
123.08035	1.8
125.01548	3.3
127.01307	1.9
128.06233	2.4
129.06993	3.3
131.08533	9.7
133.10123	7.2
135.08081	3.6
135.11679	3.5
142.07773	5.2
143.08574	6.8
145.06537	2.7
145.10101	8.2
147.08040	1.9
147.11684	3.7
149.02260	1.5
155.08589	3.5
156.09383	3.0
157.10103	9.4
159.11693	8.7
161.09612	3.2
161.13264	2.3
169.10156	4.4
171.11702	5.5
173.13210	2.3
181.10132	2.4
182.10880	1.7
183.11641	1.9
185.13281	2.0
187.14842	4.7
195.11734	2.7
197.13280	2.3
199.14859	3.5
205.10065	2.1
209.13318	2.2
211.14824	2.0
232.14137	1.9
245.09637	1.8
263.17514	1.6
277.21576	2.0
291.21149	2.7
292.22949	2.9
309.03799	4.1
309.15457	21.0
309.21921	14.0
309.24847	1.6
310.14948	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	16.3
55.01870	6.7
55.05511	30.1
57.03445	4.3
57.07062	9.6
59.05001	6.8
67.05497	65.5
69.07060	43.3
70.04073	63.0
70.39098	3.1
71.04406	3.7
71.08611	4.4
79.05479	40.4
81.03413	70.4
81.06623	5.7
81.07050	57.0
83.04982	17.5
83.08609	11.4
88.58699	3.2
91.05476	21.4
93.07029	36.2
95.04964	37.7
95.08605	26.9
97.06570	3.6
97.10180	12.3
105.07025	24.3
107.08591	32.2
109.06536	8.9
109.10143	18.7
111.08071	7.4
117.07042	6.3
119.08578	18.1
121.10155	13.4
123.11693	7.2
125.09631	21.5
125.87733	3.3
133.10121	19.6
135.08008	4.1
135.11670	10.8
147.11649	20.5
149.13254	10.2
151.11172	43.4
153.09065	8.2
161.09511	3.9
161.13261	11.1
163.14774	4.3
165.12772	7.4
175.14780	8.2
179.14285	8.7
181.01288	5.3
193.12260	3.4
203.12817	5.9
216.94040	4.0
231.21094	8.9
241.19566	6.3
249.22110	5.3
259.20563	7.5
277.21625	100.0
309.03961	7.4
309.15585	12.5
310.14993	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	309.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01863	2.6
55.05300	0.7
55.05511	8.1
57.07059	1.7
67.05163	0.9
67.05502	14.3
69.07069	7.2
70.04071	31.7
70.28761	1.3
70.29108	0.6
71.03776	1.2
71.04392	2.1
71.04990	1.5
79.05492	10.8
81.07051	22.3
83.04970	2.1
83.08618	4.2
85.06527	0.8
91.05474	11.3
92.23570	0.6
93.07039	15.1
95.04951	2.3
95.08599	18.4
97.06523	1.3
97.10150	2.2
98.98431	0.6
105.07022	18.1
107.08582	18.9
109.06532	0.9
109.10147	19.3
111.08055	1.1
115.05508	0.7
117.06990	3.6
119.08584	14.5
121.06532	1.6
121.10144	9.1
123.08061	1.2
123.11684	4.7
126.01821	1.1
127.01279	1.1
127.07533	0.8
128.06181	1.2
129.06989	4.1
130.07748	0.8
131.08548	8.0
133.10123	19.9
135.11670	4.9
137.13243	1.1
141.06955	1.6
142.07761	2.4
143.08540	7.7
144.09285	1.0
145.10109	13.5
147.07967	1.1
147.11659	7.5
149.09641	0.8
149.13234	3.8
151.11180	5.9
152.03476	0.8
155.08505	2.9
156.09337	2.0
157.10109	11.1
158.10870	0.9
159.11682	12.0
161.09608	1.7
161.13246	5.0
163.14795	1.4
169.10150	5.4
169.12247	1.3
170.10817	1.5
171.10316	1.0
171.11664	9.4
172.12320	0.8
173.13272	8.4
175.14830	3.4
177.16354	0.7
181.10085	0.9
182.10936	0.8
182.16982	0.6
183.11664	4.0
184.12329	1.0
185.13235	8.8
187.14771	5.0
189.16379	1.9
195.11743	1.1
196.12401	0.7
197.13240	4.3
198.13841	0.7
199.14807	10.7
201.16345	5.1
209.13214	0.9
211.14799	4.9
213.16391	7.9
215.17850	2.9
217.12144	0.8
217.19536	0.8
223.14806	0.8
225.16318	4.3
227.17924	4.7
237.16760	0.8
239.17931	6.5
240.18584	1.4
241.19418	0.7
245.19035	1.7
251.17810	1.0
253.19475	8.4
255.17365	0.8
263.20139	1.1
267.21024	4.1
273.18506	3.1
281.22510	1.4
291.19492	6.3
294.23242	0.7
309.15762	5.9
309.25723	100.0
310.14935	4.4
310.26077	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	309.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05509	4.1
57.07058	1.0
65.03920	0.6
67.05209	0.6
67.05499	6.7
69.07063	6.4
70.04069	15.5
71.04397	1.3
79.05488	4.8
81.07048	14.2
83.08606	1.9
91.05452	5.0
93.07040	9.7
93.07610	1.1
95.04960	1.6
95.08595	14.8
97.10149	2.0
98.22692	2.3
105.06350	1.0
105.07022	13.4
107.08578	12.0
109.10149	8.7
117.06996	2.7
119.08563	13.5
121.10136	10.3
123.11700	4.2
129.06987	2.1
131.08557	7.0
133.10104	7.8
135.11684	5.1
141.06944	1.6
142.07761	1.4
143.08551	7.0
144.09326	0.6
145.10109	12.1
147.11662	8.0
149.13248	4.0
155.08525	3.3
156.09392	1.5
157.10109	10.3
159.11678	12.5
161.13252	7.8
163.14771	1.6
169.10115	4.4
170.10844	1.0
171.11664	9.8
173.13234	8.1
175.14836	3.1
181.01320	1.1
182.10925	0.9
183.11656	5.2
185.13234	8.8
187.14767	5.3
189.16336	1.9
195.11629	0.9
197.13232	5.0
198.14040	0.8
199.14793	8.7
201.16344	5.9
203.17932	0.7
209.13318	0.9
211.14832	4.6
213.16364	7.4
215.17894	2.7
225.16374	5.7
227.17964	3.0
239.17943	7.7
240.18384	0.8
241.19498	1.3
251.17970	0.9
253.19495	7.4
254.19998	0.8
266.20218	0.6
267.21014	3.1
277.21698	0.8
280.21579	0.5
281.22665	2.1
300.34265	0.6
309.04025	0.9
309.15854	3.6
309.25714	100.0
310.14972	2.1
310.26022	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	310.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.01867	0.3
55.23486	0.2
57.03434	0.5
61.02927	0.5
62.08209	0.3
65.03938	1.1
67.05521	0.3
69.03423	4.6
70.06574	1.0
71.42033	0.3
72.08150	2.0
79.05494	0.5
82.04178	0.4
85.02907	1.8
86.09711	0.3
89.00645	0.2
94.04064	0.4
95.04958	0.4
97.02891	3.2
97.06533	0.6
97.07673	0.3
98.06059	0.5
110.03620	0.5
114.10279	2.9
115.03940	1.8
115.08716	1.8
119.03554	0.8
125.05992	0.4
131.12900	0.3
136.06172	100.0
137.04555	0.5
137.06667	1.2
138.03101	0.3
140.04665	0.4
141.77930	0.3
148.03845	0.3
152.04120	0.2
153.05481	1.1
155.07040	0.4
156.66707	0.2
164.09076	0.3
167.03294	0.2
171.06525	1.8
171.99117	0.4
175.05998	3.5
181.04939	37.8
190.00235	0.3
208.95546	0.3
210.95332	0.3
213.34088	0.3
235.10724	0.3
251.13823	2.5
252.12285	2.7
264.92755	0.4
269.14838	0.4
294.14413	3.8
305.95395	0.3
310.11401	4.4
310.17688	0.4
310.24792	0.5
311.17154	17.6
311.20532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80897	6.7
64.24973	8.0
66.70667	6.3
67.05502	19.9
70.04076	95.4
70.06601	18.8
70.37199	11.3
70.37521	11.8
71.04984	32.8
71.57908	6.6
72.08147	10.4
84.08127	16.0
85.02904	14.4
85.06570	11.9
98.23416	8.0
100.07593	48.0
110.09676	9.6
113.06009	100.0
120.08105	15.5
127.01478	17.2
131.07045	38.5
140.10707	16.9
142.12286	26.6
152.10768	8.1
171.14981	15.3
181.05003	33.5
208.58270	7.3
310.14651	32.8
310.24829	92.6
311.17029	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	310.2013
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
53.03937	1.1
55.01866	1.2
55.05508	11.2
55.73545	0.5
55.96104	0.4
57.03421	0.6
57.05817	0.8
57.07072	4.2
67.05511	4.5
68.05859	0.6
69.03413	1.0
69.06707	0.9
69.07066	11.8
69.09513	2.5
69.09919	1.1
70.02286	0.5
70.04079	6.2
70.07860	0.7
70.18991	0.5
71.05003	0.6
72.08151	100.0
73.08489	1.0
79.05485	6.0
81.03413	1.5
81.07053	10.2
81.07513	1.0
82.00925	0.5
82.07363	0.5
83.04979	3.7
84.05633	1.7
91.05476	12.8
93.07037	16.0
95.04967	3.8
95.08613	3.2
97.06480	2.0
98.06061	0.9
105.07029	16.5
105.58915	0.6
107.04970	1.1
107.08584	4.0
109.06516	10.7
109.10149	2.4
111.08070	2.7
114.09155	4.6
115.07578	1.6
117.07008	1.2
118.08647	37.4
119.08530	4.5
121.10138	1.3
123.08080	1.5
123.11740	1.0
128.70514	0.5
128.99138	0.7
129.07013	1.6
131.00734	1.1
131.04863	0.6
131.08566	4.4
132.10069	0.6
133.06488	1.0
133.10117	21.7
134.10474	0.9
135.08049	0.6
137.05963	0.5
142.08652	2.1
143.00761	2.3
145.10147	1.2
147.11673	14.7
148.11987	0.9
149.09604	1.5
149.13258	1.3
151.07579	2.4
151.11174	50.8
152.11540	1.7
153.07005	0.6
157.02261	1.0
157.10139	0.9
165.12758	2.0
171.00729	0.5
175.11188	4.0
181.12125	0.7
193.12206	4.5
199.06950	5.3
199.11238	0.6
208.13419	0.9
211.78035	0.6
227.06514	0.8
246.18568	6.4
249.56610	0.7
264.16705	1.2
264.19559	23.7
265.20053	1.2
274.18842	0.7
292.19092	6.2
310.11243	5.5
310.14560	0.9
310.16205	1.0
310.20090	15.5
311.09262	0.6
311.13150	1.0
311.16525	4.3
311.19867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13919	0.6
53.03938	1.1
55.05510	1.7
56.05043	0.9
57.03433	1.7
58.06595	3.0
66.29721	0.6
67.05491	3.8
69.03427	1.2
69.07067	0.9
69.57536	1.8
70.06587	11.1
71.04986	1.3
71.74302	0.6
72.04514	5.6
72.08151	9.2
79.05481	4.3
80.05031	3.8
81.03403	1.2
81.07047	2.3
82.06595	1.6
83.04974	1.8
84.08138	9.3
87.35229	0.5
88.07623	1.6
89.03912	1.8
90.04246	1.7
91.05464	3.0
93.07052	1.1
94.06562	2.0
95.04987	4.0
95.08614	2.7
96.08117	2.1
97.06572	0.8
98.06018	0.8
98.09708	1.8
98.91020	0.6
100.07616	82.3
101.07167	0.7
101.07964	1.4
103.05470	5.3
104.04988	0.8
105.03381	0.6
105.04542	0.7
105.07026	1.3
106.57118	0.6
107.04938	3.5
107.08614	1.3
108.08123	1.7
110.06024	3.2
110.09676	11.5
112.07528	0.8
112.11227	4.9
117.03375	2.4
118.03691	3.0
121.02863	2.3
122.09644	6.0
123.08067	0.9
124.07604	3.9
124.11240	2.0
125.09616	2.1
126.09148	4.3
127.12338	1.2
129.13896	3.9
131.03964	0.9
131.04929	13.0
132.05370	0.6
133.02852	1.2
135.04417	7.3
136.04749	5.0
136.11223	2.0
137.06000	2.6
138.05511	1.8
140.10698	26.8
142.12270	28.8
143.11708	0.9
145.02827	2.9
146.03152	2.9
150.05496	0.8
151.03934	0.9
152.10699	18.5
152.11929	1.0
154.12279	2.1
160.03909	1.4
161.02380	1.5
163.03889	17.5
164.04256	23.1
164.10799	0.7
165.04407	0.9
166.12259	1.1
167.03375	0.8
169.09619	0.7
169.13374	7.5
171.14908	22.4
176.14357	1.6
177.01857	1.1
178.04967	6.5
178.15924	2.3
179.03375	2.2
180.17465	9.5
187.14352	1.3
189.01823	2.7
191.08539	1.6
194.15407	9.0
195.02817	0.7
199.24266	0.6
205.01344	0.8
206.01639	1.1
206.04480	8.1
207.04669	0.7
211.48651	0.6
219.08072	2.9
222.14944	0.8
223.07538	1.8
223.18031	5.8
224.05501	6.4
224.16479	3.2
241.19122	2.4
247.07512	2.2
249.09033	1.0
250.06163	1.2
251.07108	1.8
251.10667	1.9
251.21132	1.4
265.08496	4.8
268.23819	1.7
279.10049	1.9
292.09412	0.8
292.23825	4.5
293.08051	3.3
310.10693	6.8
310.24866	100.0
311.12900	2.1
311.25189	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	310.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.0
57.03439	1.5
58.06596	3.1
67.05496	1.7
70.06591	8.1
71.02508	1.3
71.04965	0.9
72.04514	7.1
72.08155	6.4
77.37206	0.7
78.93304	0.6
80.05013	3.6
81.07037	2.0
82.06594	1.1
84.08143	10.6
84.08606	1.1
93.05796	1.0
94.06544	1.8
95.04953	2.2
95.08619	1.6
96.27869	0.7
98.09690	2.0
100.07614	93.2
101.07937	1.5
108.08125	0.8
110.09680	8.4
112.11250	7.4
120.08081	0.7
122.09666	7.9
123.08049	1.2
124.07560	3.2
124.11237	1.3
127.12332	1.0
129.13881	4.6
136.11179	1.4
140.10699	33.3
141.11121	0.7
142.12268	35.5
152.10701	17.0
169.13354	5.8
171.14926	25.3
176.14395	1.8
181.69948	0.7
194.15390	6.7
223.17969	5.6
239.17499	0.8
241.19090	2.7
268.23807	1.6
292.23706	3.4
310.24866	100.0
311.25183	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	310.2489
Annotation	Palustrine
Peak:m/z	Relative Intensity
53.03935	0.8
55.05505	0.7
57.03440	1.2
58.06596	2.4
61.16809	0.5
67.05512	1.8
69.75525	2.3
70.06596	6.7
71.04986	0.9
72.04520	6.1
72.08160	8.4
73.06539	0.7
80.05003	3.0
81.07069	1.6
82.06592	1.3
84.08139	9.6
93.05740	0.7
94.06590	1.3
95.04964	1.9
95.08608	1.7
96.08134	1.4
98.09714	1.7
98.22723	0.8
100.07619	88.5
101.07957	1.6
102.98460	0.6
108.08107	0.8
110.09685	8.8
112.11242	6.9
120.08026	0.5
122.09676	6.1
123.08066	0.8
124.07615	3.4
124.11227	2.4
127.12331	1.4
129.13864	4.3
136.11261	1.2
140.10707	25.7
141.11018	0.8
142.12271	32.8
143.12643	0.8
146.12599	0.6
152.10713	17.5
152.11935	1.3
164.10698	1.4
168.74779	0.7
169.13383	4.9
171.14928	26.9
172.15259	0.7
176.14360	0.9
194.15440	5.8
199.18085	0.8
223.18059	5.3
234.19673	0.9
237.49734	0.6
239.17673	0.8
241.19139	1.9
252.31239	0.6
268.23819	1.6
292.23901	4.0
310.24884	100.0
311.21988	0.8
311.25146	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	310.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03471	1.0
55.05505	4.9
56.05032	4.6
66.01513	0.5
67.05491	2.9
68.05016	3.0
68.29727	0.6
69.07072	2.9
70.06239	0.8
70.06591	12.7
71.04974	1.7
71.06102	0.5
71.07355	1.9
72.04491	1.5
72.08148	28.4
79.05504	1.0
80.04987	0.8
81.03416	0.6
81.07049	2.2
82.06555	0.9
84.02559	0.6
84.04475	1.5
84.08136	4.8
87.09210	0.6
88.07623	11.0
94.06536	1.2
95.07341	1.8
95.08569	0.6
96.04475	1.5
96.08123	1.6
96.94343	0.5
97.04019	0.6
98.06052	5.9
98.09686	1.4
100.07597	4.7
108.08105	9.4
109.10141	1.0
110.09670	30.6
113.07153	0.6
114.09164	1.0
118.03791	0.5
122.09644	1.5
123.10439	3.2
124.11253	2.6
125.10694	1.2
126.09145	44.7
126.12746	1.8
127.09500	1.0
133.10054	0.5
142.12213	1.1
143.10783	0.9
143.11800	7.9
157.09706	1.5
169.08368	1.1
169.09691	8.5
171.14906	0.9
178.15897	2.3
180.17456	100.0
181.17831	3.6
185.12889	0.8
186.12343	1.6
206.15472	0.7
213.19562	3.9
242.12512	0.6
251.21159	12.4
310.24850	48.5
311.25247	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	310.2488
Annotation	Palustrine
Peak:m/z	Relative Intensity
53.93373	0.5
55.05513	0.9
57.03431	1.1
57.46581	0.5
58.06597	2.1
67.05505	0.9
69.67830	1.8
70.06599	5.1
72.04516	5.4
72.08160	6.0
73.06507	0.5
80.05014	2.2
80.41522	0.5
81.07054	1.6
82.06597	0.6
84.08141	10.0
88.16611	0.6
94.06554	0.7
95.04984	0.9
95.08613	1.1
96.08107	0.8
98.09679	1.6
100.07617	73.9
101.07964	1.3
108.08134	0.9
108.31702	0.5
110.09663	8.0
112.11232	6.2
119.45287	0.6
122.09661	6.2
124.07619	2.7
124.11240	1.3
127.12334	0.7
129.13876	3.2
136.11171	0.9
138.09131	0.9
140.10704	26.9
142.12265	32.0
143.12611	0.7
152.10698	16.1
165.83777	0.6
169.13380	5.4
171.14917	24.9
176.14331	1.1
194.15416	5.1
199.00253	0.7
207.25595	0.6
223.18030	5.2
241.19145	1.5
268.23834	2.1
292.23788	4.3
310.24875	100.0
311.25037	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	310.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.4
56.05035	3.7
58.06589	0.6
67.05495	3.2
68.05026	3.3
69.07045	2.6
70.06587	12.8
71.04980	2.0
71.07359	1.0
72.04491	1.1
72.08154	26.2
80.05001	1.5
81.07038	2.5
82.06537	1.1
84.08140	5.7
86.06059	0.8
87.23711	0.6
88.07638	10.0
91.05509	0.7
94.06560	1.5
95.07346	1.9
96.04478	1.3
96.08114	1.2
98.06046	6.3
98.09705	1.4
98.23447	1.5
100.07616	9.0
108.08114	9.6
109.10166	0.6
110.09677	29.2
112.11279	1.0
113.07166	1.0
114.09119	0.8
122.09678	1.1
123.10451	3.4
124.11209	3.0
125.10719	1.7
126.09148	44.2
126.12769	1.6
127.09440	0.8
127.45234	0.7
135.11647	0.7
136.11179	0.9
140.10690	2.4
142.12286	1.6
143.11790	8.7
151.11163	1.1
152.10712	1.4
164.29286	0.6
169.09715	9.0
171.14850	2.0
178.15912	2.4
180.17464	100.0
181.17836	3.4
182.19052	0.6
185.12811	1.3
186.12379	1.5
213.19580	3.2
241.18805	0.7
251.21194	14.0
256.75433	0.8
292.23761	0.7
310.24866	59.7
311.25113	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	310.2487
Annotation	Palustrine
Peak:m/z	Relative Intensity
55.05505	0.9
57.03427	1.9
58.06585	2.4
64.79829	0.6
67.05492	2.1
70.06581	6.3
70.68349	0.9
72.04496	5.0
72.08145	7.0
80.05013	2.2
81.07043	1.7
82.06575	0.9
84.08129	8.9
94.06557	1.3
95.04955	2.4
95.08582	1.3
96.08112	1.5
98.09669	1.7
100.07606	78.4
101.07946	1.1
103.39141	0.6
107.45692	0.7
107.71752	0.7
108.08092	0.7
110.09659	7.0
112.11214	5.5
120.04330	0.6
122.09656	6.2
123.08012	0.8
124.07619	3.2
124.11214	1.9
129.13898	4.0
136.11185	1.1
140.10683	25.0
142.12260	31.1
142.13376	1.6
143.12566	1.0
152.10698	14.4
169.13335	4.9
171.13385	1.0
171.14896	21.1
176.14380	1.3
194.15346	6.2
213.15785	0.7
223.18071	5.4
234.19633	0.7
241.19106	2.5
242.34715	0.7
251.21049	0.7
267.81461	0.7
268.23837	1.7
292.23737	5.5
301.81985	0.7
310.24847	100.0
311.25067	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	311.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.07066	1.1
60.45293	0.4
65.03935	0.4
66.77381	0.4
67.05481	1.1
69.32908	0.8
69.33318	1.8
70.06568	1.0
72.04504	0.7
72.08137	1.9
72.32790	0.4
72.73689	0.4
79.05486	0.7
83.04958	0.7
84.08128	0.6
90.91333	0.4
95.04954	0.6
100.07607	9.6
101.07938	1.5
103.05482	0.9
105.03419	0.7
107.08578	0.8
109.02889	0.5
110.09669	1.3
111.04446	0.8
112.11233	0.7
121.02857	4.0
124.11214	2.7
125.09619	2.0
131.04927	1.9
140.10689	2.0
141.11015	0.7
142.12267	2.7
143.12627	1.0
145.02831	1.5
149.02339	1.1
152.06212	3.0
152.10649	1.0
153.05435	0.6
153.06947	0.8
165.07010	3.8
166.07716	0.9
167.08554	14.2
169.06473	0.7
169.13385	0.5
171.14957	2.4
172.15202	0.7
176.06261	2.3
177.06976	10.9
178.07755	5.2
179.08516	2.1
181.06458	4.9
191.10655	0.8
194.07272	1.9
194.15350	0.8
195.08041	34.7
196.08360	1.9
196.16968	1.7
205.06430	17.2
205.08174	0.9
206.06781	0.8
207.08026	1.6
209.05896	3.5
209.11687	3.8
218.94019	0.5
223.07524	32.2
224.07861	1.9
233.05972	5.2
237.11227	3.9
240.20706	0.7
251.07010	100.0
252.07378	5.0
282.13629	0.5
293.04108	0.6
310.24808	4.2
311.25137	7.5
312.26563	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.3
55.05483	0.5
57.03395	0.3
58.06565	0.5
61.19042	0.3
63.02362	0.3
65.03879	0.3
66.03424	0.7
67.05469	1.2
68.99746	0.5
69.18900	0.4
69.19305	1.7
70.06606	1.8
72.04462	0.9
72.08149	2.3
78.03417	0.9
79.01842	0.8
79.02503	0.4
79.05445	1.3
80.01339	0.3
80.04973	0.4
81.03381	1.0
81.07054	0.3
83.04956	0.5
84.08157	1.4
84.08521	0.3
90.03429	0.9
91.01807	1.1
91.05437	1.3
94.02922	4.1
95.01305	2.9
95.04917	0.5
95.08526	0.4
98.09671	0.3
100.07614	12.0
101.07932	1.5
103.05428	1.0
105.03353	0.3
106.02913	6.0
107.01298	0.7
107.08555	0.8
108.04424	0.5
108.08076	0.3
109.02837	0.6
110.09039	0.3
110.09676	2.6
111.09989	0.3
112.03916	0.8
112.11268	0.3
118.02869	0.7
119.00616	0.3
119.01298	3.7
120.74387	0.3
121.02874	0.3
122.09646	0.5
123.04430	0.4
124.07560	0.3
124.11172	1.3
125.09576	1.1
131.04938	2.0
134.02393	2.4
135.00745	0.7
137.02335	2.8
137.05989	0.7
140.03468	0.4
140.10701	1.7
141.11049	0.7
142.12276	2.6
143.11758	1.3
143.12717	0.7
146.02325	0.9
147.00778	8.0
148.01007	0.3
152.10675	1.6
161.02347	0.4
162.01871	6.1
163.00255	1.5
165.01802	1.2
169.01408	0.4
169.13364	0.6
171.14891	2.4
172.15253	0.6
179.03456	0.5
180.02881	3.1
180.17493	2.5
181.01344	1.7
181.02827	0.3
187.14478	0.5
188.97942	0.7
190.01341	100.0
190.99751	5.2
191.01656	3.0
191.03261	0.5
194.15359	0.8
196.16974	1.2
205.01434	0.4
207.04091	39.6
208.02393	1.2
208.04335	1.3
209.00768	2.6
223.18039	0.7
225.00375	0.6
225.03902	0.8
226.94289	0.4
251.10742	0.4
252.06583	0.4
265.05316	0.3
266.08121	2.2
292.23904	0.4
293.04288	1.5
294.04343	0.7
294.07608	11.1
295.05560	1.5
310.24869	5.6
310.28119	0.5
311.10257	20.6
311.25446	6.6
312.10516	1.4
312.26401	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	311.164
Annotation	Nafenopin
Peak:m/z	Relative Intensity
50.01606	0.8
53.03934	1.9
55.01868	3.3
55.05502	3.5
57.03427	1.5
57.07071	14.9
65.03921	1.1
67.05506	6.4
68.91589	0.8
68.99808	1.7
69.03427	5.8
69.07051	1.6
70.11613	2.8
71.04996	1.0
77.03934	0.8
79.05486	7.1
80.08886	0.8
81.03410	20.6
81.07044	5.0
83.04984	7.9
91.05480	10.8
93.07044	6.2
95.04958	6.9
95.08591	3.9
97.06516	2.3
98.98449	1.4
99.04461	1.3
103.05458	1.2
105.04514	0.9
105.07018	10.1
107.04932	4.6
107.08572	5.7
109.02849	3.4
109.06492	3.9
109.10119	1.3
111.04439	11.4
111.08063	2.1
115.05409	2.8
116.06264	1.0
117.07042	6.5
119.04867	1.2
119.08565	6.4
121.06480	4.1
121.10159	2.3
125.05944	4.1
128.06192	5.4
129.06987	6.7
130.07616	0.8
131.04907	4.0
131.08572	6.6
133.06467	3.4
133.10124	2.7
135.04364	2.3
135.08055	2.3
141.06990	5.3
142.07817	4.8
143.08549	12.6
145.06470	11.0
145.10100	7.3
147.08002	3.6
147.11685	1.4
149.09607	2.1
152.06133	1.7
153.05450	10.7
153.06956	4.9
154.07770	2.3
155.08556	10.5
156.09290	3.3
157.06471	2.1
157.10144	9.0
158.07294	1.0
159.08028	5.4
159.11646	2.1
160.08780	0.8
161.09592	2.1
163.07552	1.3
163.11133	2.6
165.06975	6.3
165.09135	1.9
165.64073	0.8
166.07777	3.3
167.08537	7.8
168.09236	2.8
169.06464	3.7
169.10104	7.3
171.08057	6.5
171.11676	3.9
172.08748	1.3
173.09575	4.6
173.13249	1.3
175.07576	2.0
178.07736	3.2
179.08528	7.3
180.09267	4.0
181.04900	2.6
181.06537	2.6
181.10121	10.8
181.12192	4.1
182.07191	1.4
182.10831	1.9
183.08073	8.8
183.11649	7.6
184.08778	2.5
185.09589	6.7
185.13148	2.2
187.11186	2.5
190.07773	1.2
191.08546	4.7
191.10649	7.8
192.09372	4.9
193.08620	1.3
193.10114	7.0
194.07304	1.2
194.10838	3.4
195.08040	6.0
195.11644	8.1
196.08633	1.4
197.09566	5.8
197.13237	4.5
198.10341	1.9
199.11183	7.7
201.09045	1.1
201.12721	4.4
203.08588	1.8
205.10075	4.6
206.10915	4.3
207.07948	1.6
207.11603	4.6
208.08833	1.5
208.12285	1.4
209.09631	5.6
209.11659	55.1
209.13126	3.4
210.10254	1.3
210.12051	1.8
211.07436	1.1
211.11176	5.2
211.14801	1.6
212.12059	1.7
213.12729	2.6
215.10713	1.1
217.10103	4.0
217.12041	1.0
218.10907	2.1
219.08063	1.4
219.11671	2.3
220.09050	1.0
220.12401	1.3
221.09593	3.1
221.13232	6.4
222.10361	2.2
222.13925	2.2
223.11179	5.4
223.14786	2.2
224.11780	1.1
225.12746	6.2
226.13223	0.9
227.14207	1.3
229.12177	4.8
231.11681	1.3
232.12515	4.4
233.09550	1.8
233.13225	1.1
235.11195	2.1
235.14882	1.3
236.11957	1.4
237.09138	1.5
237.11107	39.3
237.16353	3.0
238.11493	1.5
239.14259	2.1
241.12018	0.9
245.09503	1.1
246.10237	1.0
247.14838	4.5
249.12756	3.2
250.13477	1.5
251.14270	3.3
253.12160	1.3
253.15767	1.6
255.12143	9.3
255.17325	1.3
263.14322	1.0
265.15790	9.8
267.13666	4.9
269.15256	1.3
275.14240	2.0
281.15274	2.5
283.16956	5.3
293.15164	10.2
294.15558	1.2
311.16354	100.0
312.16614	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	311.1639
Annotation	Picealactone A
Peak:m/z	Relative Intensity
53.03941	1.5
55.05509	6.1
67.05490	5.1
69.03406	2.9
69.07072	2.6
70.35776	2.5
70.36102	2.2
79.05491	9.7
81.03446	2.3
81.07052	14.2
83.04989	1.7
85.02842	1.4
91.05477	7.2
92.71064	1.6
93.07040	6.2
95.01311	2.3
95.04966	3.8
95.08617	3.9
102.56104	1.4
103.05421	1.5
105.07042	4.6
107.08589	4.2
109.06522	3.2
113.94688	1.8
115.05466	3.3
117.07014	2.8
119.08598	9.4
121.02889	2.1
122.03628	2.6
125.06030	4.0
127.03912	1.8
128.06166	1.8
129.06978	3.5
131.04950	2.4
131.08560	4.8
133.06474	2.5
133.10100	5.1
135.04385	2.8
137.05968	17.8
137.23343	1.7
141.06963	1.8
142.07759	6.1
143.08553	7.1
145.06459	1.9
145.10127	6.6
153.06992	3.2
155.08582	5.0
156.09341	7.0
157.10120	21.7
159.08046	3.8
159.11668	7.3
161.05968	4.4
165.06990	6.0
165.91042	1.5
167.08575	6.3
168.09338	3.4
169.10130	14.4
170.10867	11.9
171.08073	2.6
171.11699	19.4
173.09636	2.0
173.13246	2.1
179.08569	6.5
180.09319	4.7
181.04990	2.6
181.10146	13.9
181.17781	2.0
182.10852	1.8
183.08139	1.8
183.11691	22.4
184.12448	17.1
185.09546	1.8
185.13231	17.0
187.07556	5.6
187.14896	2.0
190.07777	4.7
190.99794	2.8
191.01503	3.3
191.07056	2.0
191.08554	9.7
193.10117	12.2
194.10907	6.2
195.11667	18.0
196.12386	3.5
197.09529	2.1
197.13240	24.3
198.13802	2.1
199.14796	26.4
203.08578	2.2
205.10088	2.9
206.10933	3.5
207.11604	7.9
208.08829	2.0
208.12421	10.2
209.00787	4.0
209.09724	8.6
209.13203	11.6
211.11165	2.5
211.14804	8.9
218.07245	2.1
219.07991	12.3
219.11581	2.2
220.56616	1.9
221.13199	9.9
222.13954	8.8
223.11131	6.6
223.14798	24.3
225.12807	2.4
227.10585	4.6
232.12335	4.1
233.13187	3.4
234.14041	3.2
235.11197	4.4
236.08275	2.0
236.11841	2.3
237.09151	1.7
237.12828	2.5
237.16393	34.6
239.17969	7.1
241.08409	1.9
241.12199	3.0
247.07513	4.7
247.14796	10.7
250.13441	3.7
251.10658	15.6
251.14290	3.9
255.10100	3.5
260.11960	4.5
263.10736	2.6
264.07864	2.9
265.15872	31.2
266.16113	2.5
267.13800	6.0
268.14377	1.9
269.15402	9.7
275.14197	3.0
278.12857	1.9
279.10156	17.1
280.10745	2.4
283.13788	1.4
283.16901	36.7
293.12131	1.7
293.15320	44.8
294.15552	1.9
296.10400	3.8
311.05249	4.7
311.09140	2.0
311.12735	27.2
311.16403	100.0
312.16647	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	311.1639
Annotation	Nafenopin
Peak:m/z	Relative Intensity
53.03945	2.7
55.01863	3.2
55.05502	4.1
57.03418	1.5
57.07063	1.0
65.03938	0.9
67.05493	6.7
69.03075	0.4
69.03428	7.3
69.07064	3.1
69.52486	1.4
69.52878	0.9
71.01343	0.8
71.04972	1.5
73.47637	0.4
77.03925	0.7
79.05488	8.5
80.52254	0.5
81.03409	27.8
81.07047	5.8
83.04974	6.7
83.23831	0.4
85.02877	1.5
85.06493	0.9
91.05471	14.0
93.07035	7.8
95.04961	11.3
95.08582	5.4
97.02882	0.7
97.06509	1.3
99.04417	1.0
103.05473	2.7
105.04510	1.0
105.07021	11.8
107.04961	4.3
107.08582	8.0
109.02847	1.6
109.06503	5.4
109.10107	1.0
111.04458	2.7
115.05438	4.5
115.60247	0.5
116.06250	0.9
117.07012	7.8
119.04909	2.0
119.06026	0.5
119.08574	8.9
121.06487	4.2
121.10111	1.6
123.04446	1.1
123.08051	1.7
128.06212	5.9
129.06992	9.6
130.07762	1.4
131.04913	5.0
131.08559	9.7
133.06465	4.3
133.09213	0.6
133.10039	2.8
135.04414	0.7
135.08018	2.8
137.05896	0.6
137.09602	0.4
141.06976	11.0
142.07779	8.6
143.08549	13.7
144.05658	0.6
144.09311	0.7
145.06468	13.5
145.10112	7.4
146.07141	0.5
146.10535	0.5
147.04430	1.0
147.08028	4.4
147.11661	1.1
149.06017	1.0
149.09616	1.1
152.06223	1.8
153.06979	5.5
154.07770	3.8
155.05994	0.9
155.08540	13.3
155.10497	0.5
156.09338	5.2
157.06487	2.8
157.10110	10.6
158.07214	0.9
158.10771	0.8
159.08020	6.4
159.11641	2.6
161.05952	0.6
161.09633	2.7
165.05627	0.7
165.06961	11.1
165.09122	1.0
166.07780	5.9
167.08553	12.5
168.09326	4.5
169.06444	3.7
169.10100	12.0
169.43901	0.5
170.07227	1.4
170.10831	1.4
171.08023	7.2
171.11708	5.6
172.08705	0.8
172.12032	0.5
173.05803	0.6
173.09598	5.7
173.13136	1.0
175.07506	0.9
175.11151	1.6
177.09152	0.7
178.07744	4.3
179.06966	0.6
179.08534	10.4
180.09294	5.1
181.06487	3.7
181.10086	14.5
182.07220	1.9
182.10806	3.4
183.08038	6.2
183.11670	8.8
184.08720	1.8
185.05956	0.7
185.09598	6.3
185.13208	2.7
186.10327	0.9
187.07562	0.8
187.11113	3.1
189.06982	1.2
189.09096	0.7
189.12712	0.8
190.07739	1.8
191.08517	5.2
192.09319	4.9
193.06607	0.6
193.08452	0.4
193.10100	11.3
194.07257	1.4
194.10800	3.8
195.08034	5.9
195.11670	12.3
196.08748	2.5
196.12344	1.6
197.09550	6.2
197.13216	4.7
198.10254	1.9
198.13780	0.9
199.07440	1.2
199.11156	10.3
200.11749	0.8
201.09068	0.9
201.12737	4.1
202.07700	1.4
202.13313	0.7
203.08543	3.9
203.10439	1.2
204.09360	2.7
205.10107	5.0
206.10863	5.7
207.08118	2.3
207.11661	9.1
208.08791	1.8
208.12457	2.3
209.09624	6.9
209.13222	6.3
210.10306	1.9
211.07471	1.0
211.11147	6.5
211.14792	2.0
212.11848	1.3
213.09073	1.9
213.12697	3.8
215.08675	1.0
215.10719	1.3
215.14301	0.6
216.09315	1.7
217.10159	5.8
217.12076	0.8
218.10800	2.3
219.08009	1.3
219.11603	4.1
220.12407	1.8
221.09613	4.0
221.13182	6.1
222.10320	1.7
222.13986	1.5
223.07607	0.7
223.11147	7.4
223.14635	3.0
224.11874	2.3
225.09206	0.8
225.12698	7.1
226.13441	0.6
227.10657	1.3
227.14317	1.5
229.10162	0.8
229.12207	6.0
230.10823	1.0
231.11745	2.3
232.08902	0.6
232.12437	4.8
233.09537	1.8
233.13182	2.0
234.10390	1.3
235.11133	3.4
235.14767	2.1
236.11844	2.3
237.09044	1.4
237.12737	5.0
237.16322	3.7
239.10625	1.4
239.14264	3.1
241.12244	1.6
241.15913	0.8
243.13878	0.6
245.09569	1.4
245.13126	0.9
246.10239	0.9
247.11073	0.9
247.14725	5.2
248.15201	0.6
249.12711	3.9
250.13432	1.7
251.10634	1.4
251.14317	3.9
252.11287	0.6
253.12152	2.3
253.15846	1.1
255.13766	1.1
255.17365	0.7
257.13220	0.6
260.11862	1.3
263.14328	1.9
265.12924	0.5
265.15845	12.9
266.16235	0.9
267.13760	5.7
268.14249	0.7
269.11758	0.7
269.15308	1.2
275.14346	4.1
281.15289	3.4
282.15741	0.7
283.09659	1.2
283.16852	6.1
293.15308	12.9
294.15753	0.9
306.74255	0.5
311.16364	100.0
312.16705	6.6
312.24973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.164
Annotation	Nafenopin
Peak:m/z	Relative Intensity
51.02384	0.4
53.03936	2.4
55.01877	4.4
55.05508	4.6
57.03420	1.2
57.07064	0.8
57.67208	0.5
65.03936	1.0
67.05499	6.2
69.03425	6.2
69.07072	3.2
70.48001	0.7
70.48312	0.8
71.01317	0.8
71.04993	1.2
71.37455	0.5
73.02876	0.6
75.56242	0.4
77.03923	1.0
79.05500	9.5
81.03417	26.7
81.07050	6.0
83.04982	5.4
85.02892	1.3
91.04936	1.0
91.05476	13.9
92.03511	0.4
93.07047	7.3
95.04416	0.8
95.04965	10.7
95.08598	5.1
97.02869	0.8
97.06517	1.5
99.04437	1.7
103.05463	2.4
105.03413	0.6
105.04503	0.8
105.07027	12.9
105.36226	0.5
107.04965	4.8
107.08591	6.7
109.02856	1.4
109.06511	5.9
109.10150	1.3
111.04439	3.1
115.05467	5.1
116.06260	1.3
116.59186	0.4
117.07012	8.3
119.04932	1.9
119.08561	7.7
121.06504	4.8
121.10139	1.7
123.04417	0.9
123.08064	1.6
125.06048	0.5
128.06230	6.4
129.07005	10.1
130.07776	1.6
131.04924	5.5
131.08553	8.5
133.06485	4.7
133.10117	2.9
135.04417	0.9
135.08051	3.5
137.05943	1.2
141.06981	8.6
142.07787	6.2
143.08554	13.2
144.05704	0.8
145.06482	13.4
145.10124	9.0
147.04375	0.8
147.08043	5.9
147.11725	0.9
149.05972	1.0
149.09601	2.3
151.07521	0.5
152.06201	1.4
153.06979	5.9
154.07758	2.9
155.08557	12.3
156.09341	4.9
157.06482	3.9
157.10110	12.4
158.07329	1.0
158.10837	0.8
159.08083	6.3
159.11708	4.0
161.06018	0.9
161.09613	3.7
165.06989	9.3
165.09138	1.2
166.07764	5.0
166.45288	0.5
167.08560	12.2
168.05695	0.7
168.09309	4.0
169.06514	3.3
169.10123	11.9
170.07274	1.1
170.10815	1.8
171.08051	6.6
171.11665	7.1
172.08786	1.2
173.05943	0.8
173.09610	5.5
173.13264	1.6
175.07619	1.0
175.11151	1.5
178.07782	4.1
179.08546	11.3
180.09319	5.5
181.06473	3.7
181.10109	14.3
182.07257	2.5
182.10825	2.9
183.08051	6.9
183.11671	9.9
184.08850	2.0
184.12366	1.1
185.05905	0.6
185.09618	7.7
185.13232	3.4
186.10197	1.1
187.07594	1.0
187.11211	3.3
189.06964	1.2
189.09087	1.0
189.12729	1.1
190.07773	1.6
191.08565	4.9
192.09354	4.8
193.10117	10.6
194.07307	1.1
194.10918	3.8
195.08029	5.6
195.11688	10.7
196.08812	2.3
196.12315	1.2
197.09604	7.5
197.13280	4.5
198.10420	2.4
199.07526	1.5
199.11176	10.1
201.09151	1.1
201.12747	5.1
202.07797	2.0
203.08560	3.1
203.10413	0.9
204.09303	2.4
205.06403	0.8
205.10106	5.6
206.10899	6.2
207.08101	2.1
207.11673	8.5
208.08798	2.0
208.12381	2.9
209.09644	7.8
209.13203	5.3
210.10349	2.2
211.11162	7.0
211.14717	1.5
212.11864	1.5
213.09155	1.2
213.12773	4.2
215.10628	1.3
216.09288	1.4
217.10208	4.9
217.12102	0.9
218.07076	0.6
218.10933	2.1
219.08101	2.4
219.11678	4.4
220.08702	0.7
220.12476	1.3
221.09650	3.6
221.13228	6.4
222.10405	1.4
222.14078	1.4
223.11189	6.9
223.14636	2.7
224.11931	1.6
225.09024	1.1
225.12721	7.2
225.16348	0.7
226.13286	1.2
227.10645	2.0
227.14310	2.0
229.10194	0.9
229.12241	6.8
230.10857	0.9
230.12993	0.9
231.11707	2.8
232.08871	0.8
232.12451	5.2
233.09593	1.9
233.13237	1.8
234.10460	1.3
235.11133	3.1
235.14647	2.3
236.11899	1.5
237.09052	1.0
237.12733	4.9
237.16383	3.6
238.13313	0.6
239.10666	1.5
239.14333	3.7
241.08519	1.0
241.12296	2.2
241.15858	0.9
242.10753	0.7
245.09547	1.0
247.11157	1.2
247.14839	6.0
248.11891	0.8
249.12764	4.4
250.13557	2.0
251.10641	2.0
251.14302	3.9
253.12154	2.2
253.15958	1.2
255.10248	1.0
255.13727	0.9
255.17525	1.4
257.13138	0.6
260.12030	1.2
261.12952	0.6
263.10818	0.6
263.14206	2.2
265.15863	14.7
266.16122	0.8
267.13834	6.1
267.16867	0.8
269.11996	0.8
269.15369	1.5
275.14172	3.1
278.13089	0.6
281.15341	3.2
282.16092	1.9
283.13678	0.6
283.16861	8.5
293.15344	14.5
311.16391	100.0
312.16742	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	311.164
Annotation	Nafenopin
Peak:m/z	Relative Intensity
50.01585	0.3
53.03946	1.7
54.56074	0.3
55.01871	3.3
55.05503	3.6
57.03422	1.4
57.07061	0.9
65.03922	1.3
67.05499	5.9
69.03425	6.7
69.07072	2.0
70.04065	2.8
71.01331	0.5
71.04414	0.4
71.04993	1.5
71.43121	0.3
77.03918	1.2
79.05489	8.4
79.91293	0.3
81.03412	22.8
81.07049	6.3
82.03757	0.4
83.04971	5.4
83.08617	0.3
85.02875	0.9
85.06556	0.5
91.05470	12.9
91.06055	0.6
93.07039	6.4
95.01324	0.3
95.04960	8.6
95.08602	4.4
97.02885	0.6
97.06506	0.9
99.04426	1.3
103.05453	2.0
105.03384	0.5
105.04510	0.7
105.06341	0.7
105.07021	11.6
106.07319	0.6
107.04973	2.9
107.08586	7.1
109.02866	1.3
109.06507	5.6
109.10136	1.1
111.04444	2.2
111.08086	1.2
113.05981	0.5
113.49862	0.4
114.60123	0.4
115.05433	4.2
116.06225	0.9
117.06182	0.5
117.07002	7.4
119.04956	1.8
119.06031	0.3
119.08565	7.6
121.06488	4.1
121.10118	1.5
123.04449	0.8
123.08060	1.4
127.05408	0.4
128.06192	6.2
129.06993	8.9
130.07832	0.6
131.04924	5.2
131.08557	9.4
132.05687	0.4
133.06483	3.5
133.10121	2.5
134.09270	0.3
134.10353	0.3
135.08037	2.8
135.11673	0.3
137.05943	0.8
137.09651	0.5
141.06982	7.9
142.07776	6.3
143.08553	11.2
144.05685	0.6
144.09315	0.7
145.06477	12.6
145.10110	7.3
146.06949	0.3
146.10564	0.3
147.04414	1.2
147.08051	4.7
147.11655	0.9
149.05980	0.7
149.09615	1.6
151.07516	0.6
152.06149	1.5
153.06975	5.2
154.07782	2.5
155.06020	0.9
155.08546	12.2
156.09334	4.7
157.06503	3.6
157.10107	9.7
158.07236	1.4
159.08043	6.6
159.11681	3.0
161.05968	1.0
161.09592	3.1
163.07426	0.4
165.06981	8.7
165.09068	0.8
166.07739	4.5
167.08557	10.0
168.09323	3.8
169.06471	3.2
169.10114	10.8
170.07225	0.7
170.10820	1.1
171.08022	6.3
171.11682	6.2
172.08791	1.0
173.05939	0.9
173.09601	5.2
173.13239	1.7
175.07558	0.6
175.11197	1.2
177.08984	0.5
178.07748	4.5
179.08557	9.7
179.10194	0.6
180.09322	5.4
181.06471	3.1
181.10095	13.4
182.07288	1.7
182.10843	2.7
183.08058	7.0
183.11658	9.0
184.08841	2.0
184.12271	0.9
185.05957	0.6
185.09613	6.0
185.13194	2.7
186.10306	0.8
187.07568	0.6
187.11189	2.9
189.07083	0.5
189.09070	0.7
190.07744	1.4
191.08549	3.7
191.10318	0.6
192.09296	5.0
193.06447	0.6
193.10103	9.2
194.07237	1.2
194.10880	3.8
195.08012	5.4
195.11671	10.6
196.08778	2.0
196.12462	1.3
197.09592	6.7
197.13237	5.0
198.10312	1.3
199.07507	0.8
199.11166	9.1
199.14786	0.5
200.11844	0.7
201.09137	1.1
201.12732	3.1
202.07724	1.1
202.13184	0.4
203.08560	3.1
203.10545	0.7
204.09296	2.3
205.06372	0.5
205.10080	5.1
206.07401	0.6
206.10855	5.8
207.08043	2.4
207.11659	7.8
208.08847	2.4
208.12395	2.1
209.09630	7.8
209.11549	0.7
209.13222	5.5
210.10329	2.0
210.13843	0.8
211.07646	0.7
211.11166	7.1
211.14644	1.6
212.11813	1.1
213.09055	1.2
213.12738	3.4
214.13194	0.4
215.08556	1.1
215.10698	1.5
215.14296	0.7
216.09303	1.2
217.10159	4.9
217.12115	0.5
218.07249	0.7
218.10823	2.4
219.08171	1.8
219.11655	3.4
220.08839	0.9
220.12463	1.2
221.09653	3.5
221.13210	6.7
222.10390	2.2
222.13942	1.0
223.07532	0.9
223.11156	6.2
223.14653	3.2
224.11874	1.5
224.15337	0.4
225.09120	1.0
225.12697	6.3
226.13368	1.0
227.08725	0.4
227.10661	1.5
227.14224	1.4
229.10217	0.6
229.12224	5.6
230.10831	0.7
230.12941	0.8
231.11668	2.1
232.08746	0.5
232.12431	3.9
233.09581	1.5
233.13168	2.5
234.10400	1.8
234.13951	0.6
235.11198	3.1
235.14740	2.4
236.11911	1.2
236.15489	0.4
237.09048	1.2
237.12854	3.7
237.16338	4.4
239.10654	0.9
239.14256	3.2
241.12198	1.2
243.13823	0.7
245.09558	1.1
245.13281	0.4
246.10353	0.5
247.11034	0.8
247.14772	4.2
248.11853	0.4
248.15170	0.4
249.12729	3.7
250.13498	2.3
251.10619	0.9
251.14308	4.2
252.11436	0.6
252.14917	0.3
253.12265	2.0
253.15858	1.1
255.10086	0.7
255.13849	1.2
255.17392	1.1
257.13135	0.7
260.11917	1.9
263.11670	0.4
263.14304	2.5
264.15051	0.4
265.15845	14.1
266.16263	0.7
267.13745	5.9
268.14319	0.6
269.11728	1.0
269.15314	1.3
275.14258	2.9
281.15381	3.3
282.15744	0.6
283.13681	0.6
283.16873	6.5
293.15326	11.8
294.15573	0.5
311.16370	100.0
312.16736	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	311.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.3
55.05494	0.6
59.81307	0.3
60.05627	0.5
65.03936	2.1
67.05479	1.0
69.03410	0.7
70.06548	0.4
70.49923	0.5
70.50249	0.3
72.08147	3.9
82.04165	0.8
85.02905	1.7
89.10767	0.4
93.03388	1.1
94.43459	0.3
95.04944	0.5
97.06510	0.9
97.07615	1.2
98.06059	1.1
108.02007	0.3
110.03648	1.3
111.04470	0.4
114.10281	5.7
115.08689	4.7
117.18275	0.3
125.05983	0.8
125.09515	0.4
136.06175	0.4
138.03110	0.9
140.04646	1.1
140.08179	0.3
142.02554	0.6
153.04263	0.3
153.05461	4.5
155.07033	0.9
171.06525	3.8
181.04941	100.0
182.05301	2.9
235.10760	0.5
236.11421	0.4
251.13878	6.0
252.12277	6.2
269.14978	0.8
294.09259	0.4
294.14462	10.1
295.14508	0.5
311.17111	48.2
312.17398	2.3
312.26202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
60.05619	0.7
65.03940	2.1
67.05482	1.3
69.03434	0.3
70.96888	0.5
72.08147	3.3
72.60351	0.3
82.04179	1.1
85.02899	2.8
93.03377	1.1
95.04951	0.7
97.06514	0.8
97.07627	1.2
98.06031	0.8
110.03627	1.2
111.04434	0.3
114.09528	0.4
114.10281	5.6
115.08685	4.7
123.04436	0.4
125.05975	0.8
137.44275	0.3
138.03099	1.0
140.04678	1.4
142.02562	0.4
145.04852	0.3
153.05441	5.4
155.07001	0.6
162.29822	0.3
171.06506	3.2
181.04938	100.0
182.05301	2.8
235.10687	0.7
240.06622	0.3
251.13860	6.6
252.12279	6.6
265.43417	0.3
269.14905	0.9
282.22974	0.4
294.14456	10.2
295.14548	0.3
311.17105	43.0
312.17401	1.9
314.86105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01867	9.7
55.05512	39.0
56.08370	7.3
57.03429	6.4
67.05506	93.5
69.03437	7.7
69.07069	43.0
71.04963	7.2
73.16057	5.8
79.05492	51.5
81.03397	8.1
81.07054	93.6
83.04973	7.1
83.08620	27.2
91.05487	53.2
91.67041	5.9
93.07053	47.7
95.04956	14.9
95.08598	59.7
97.06501	15.4
97.10168	11.5
98.22697	16.2
105.07030	50.4
107.08580	48.5
109.06500	9.5
109.10124	33.4
117.07018	15.7
119.08609	40.8
121.10143	23.9
121.93810	6.8
124.14066	6.6
125.09650	16.3
131.08566	29.7
133.10118	47.9
135.11716	13.4
137.09644	8.5
145.10129	18.8
147.11682	26.4
149.09616	15.9
149.13213	11.0
151.11206	8.9
152.07372	6.1
152.17480	5.9
157.10147	12.5
157.41692	6.7
159.11681	18.7
161.13274	9.2
163.11188	10.1
171.11684	11.8
173.11761	7.9
177.12636	8.2
189.11261	15.9
239.18053	10.3
275.20074	100.0
293.21088	19.3
311.11777	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03929	2.6
55.01861	7.8
55.05511	25.5
55.79150	2.1
57.03419	7.7
57.07071	4.1
59.04997	4.4
64.87858	2.3
67.05501	73.7
69.03436	8.7
69.07066	14.2
69.55907	4.5
69.56314	7.7
70.04076	5.3
71.04979	9.4
71.08629	62.8
79.05488	23.9
81.03403	9.6
81.07046	32.8
83.04981	25.0
83.08624	12.8
85.02924	2.8
85.06518	4.6
91.05463	27.9
93.07035	35.0
95.01356	2.8
95.04962	12.6
95.08596	37.3
97.06508	6.9
97.10162	8.1
98.23416	3.3
99.08087	36.2
105.07024	11.8
107.04943	5.5
107.08596	13.8
109.06499	5.5
109.10149	56.1
111.08083	6.7
117.07018	6.8
119.08573	13.9
121.06447	2.8
121.10128	10.3
123.08085	5.2
125.09621	7.9
127.11196	3.5
129.06998	3.5
131.08557	9.1
133.10136	15.1
133.16196	2.8
135.08069	2.4
135.11682	6.4
135.49664	2.1
137.09636	12.7
139.11171	78.3
141.12671	3.3
143.08533	3.9
145.10109	6.3
147.11691	4.6
149.09633	2.6
149.13240	5.0
151.11160	26.4
154.22601	2.4
155.08598	3.0
155.10672	16.3
157.10191	2.9
159.11664	8.2
161.09583	13.6
169.10069	2.8
173.11714	29.6
177.12788	13.7
179.10664	6.5
181.10143	2.2
195.11798	3.8
195.13748	6.4
229.19606	3.7
236.39188	2.8
247.20540	3.4
257.18994	6.9
265.15729	2.7
265.21646	3.4
275.20032	26.1
293.21069	100.0
294.21371	4.6
311.16470	17.1
311.22156	21.8
312.16113	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03959	5.3
55.01869	98.2
55.05505	57.0
55.50813	3.8
57.03440	7.0
57.07074	42.0
59.05001	4.5
67.05502	100.0
68.19147	3.7
69.07064	32.2
69.54096	17.2
70.04067	26.4
71.03746	4.6
71.04995	9.4
71.08633	14.4
79.05481	42.0
81.03426	15.0
81.07050	64.0
83.04993	15.8
83.08622	15.6
91.05472	39.8
93.07043	47.4
95.04970	31.1
95.08604	72.8
97.06519	13.7
97.10140	9.4
98.23414	5.2
99.08103	12.5
105.07021	26.6
107.04971	17.3
107.08553	25.6
109.02859	4.3
109.06522	11.6
109.10131	29.2
111.04435	13.2
115.33508	4.3
117.07029	14.6
119.08590	29.0
121.06501	7.1
121.10160	19.1
123.08064	13.8
123.11728	5.7
125.09630	99.7
129.07053	5.8
131.08551	16.3
133.10147	18.0
135.08052	18.0
135.11642	9.1
137.09612	29.6
139.11205	9.3
141.06929	5.3
141.09114	4.9
142.93857	23.4
145.10152	12.4
147.07990	7.9
147.11627	5.7
149.09520	8.7
149.13287	9.9
151.11177	39.6
153.05383	7.1
153.12776	6.8
159.11650	9.7
161.09581	5.4
163.11224	10.0
165.74857	4.0
167.10626	9.3
172.11627	5.1
173.13268	9.3
177.12747	25.1
181.04977	13.4
181.12263	15.7
183.11734	4.2
187.11148	7.1
191.10652	5.2
191.14305	13.3
195.13821	14.3
197.41161	4.3
209.11691	21.6
229.19650	5.9
237.11230	18.1
247.20566	9.7
255.12302	4.6
257.18991	16.0
275.20074	48.5
284.82571	4.2
293.21069	49.1
311.12399	31.2
311.18015	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35680	1.5
53.03924	2.0
55.01865	14.8
55.05497	12.4
57.03419	2.7
57.07067	7.0
67.05220	1.4
67.05504	17.0
69.07069	9.4
70.04070	14.9
71.04411	2.2
71.04963	1.4
71.08611	1.7
79.05480	9.7
81.03384	3.3
81.07050	15.2
83.04975	4.9
83.08646	2.6
84.89592	1.5
85.06529	3.2
88.07655	1.3
91.05466	12.2
92.02606	1.8
93.07043	11.2
95.04971	8.9
95.08604	15.2
97.02887	1.6
97.06506	1.3
97.10135	4.1
99.08091	3.5
105.04559	1.8
105.07010	9.1
107.04930	5.6
107.08571	5.8
109.06511	2.4
109.10130	6.5
111.04423	3.6
111.08095	1.5
113.59957	1.4
116.75462	1.5
117.07006	3.4
119.08549	6.0
121.06486	2.7
121.10128	5.3
123.08035	3.3
123.11722	2.5
125.05974	2.7
125.09615	13.8
131.08510	5.3
133.10138	4.8
135.04404	100.0
135.08017	2.0
135.11708	1.7
136.04730	2.2
137.09616	8.3
139.11191	1.7
142.93867	11.3
145.10120	6.8
146.07257	2.6
147.11694	2.0
151.11174	5.1
153.05510	2.6
157.10110	2.4
159.11717	3.1
161.09604	43.2
161.13214	1.5
161.78616	1.7
162.09955	1.7
163.11133	3.4
169.10045	2.6
169.23204	1.5
171.11742	1.7
173.13188	1.8
177.12755	6.8
181.04922	5.1
181.12199	3.5
187.11119	1.7
191.10672	3.0
191.14384	1.9
193.12234	1.5
209.11734	17.7
229.19537	1.9
237.11252	10.7
247.20665	3.2
247.43970	1.4
255.21048	1.7
257.18967	2.2
275.20087	7.4
293.21069	8.7
311.12537	10.7
311.16177	5.6
311.27386	10.7
312.32526	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	311.2368
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03930	5.7
55.01867	3.8
55.05502	28.9
57.03429	8.4
57.07065	14.8
64.74296	2.2
67.05492	46.2
67.26497	2.2
69.07060	75.5
70.04062	11.6
71.04967	4.5
71.08627	6.5
77.03910	3.1
79.05486	30.9
81.03394	5.3
81.07048	59.5
83.04955	3.9
83.08603	32.1
91.05463	47.0
93.07030	100.0
94.53104	2.7
95.04956	92.8
95.08590	98.8
97.06521	36.5
97.10155	16.8
103.05428	3.2
105.04520	5.6
105.07015	85.0
107.04899	2.8
107.08575	65.7
109.06501	16.4
109.10132	50.7
110.10556	2.8
111.11664	7.0
115.05417	3.9
117.07021	23.1
118.00414	2.6
119.06049	3.2
119.08562	81.5
121.06498	21.1
121.10130	61.6
123.08049	22.0
123.11687	19.2
128.06207	6.6
129.06985	8.1
130.07780	6.0
131.08560	26.6
133.10120	43.3
135.04359	3.9
135.08031	19.4
135.11688	20.3
137.09561	5.6
137.13185	7.5
142.07741	6.6
143.08551	17.8
144.09288	4.6
145.10106	44.5
147.11671	26.7
149.09622	7.3
149.13254	9.9
155.08542	8.2
156.09325	5.0
157.10114	33.0
158.10875	3.4
159.08105	3.7
159.11665	57.2
160.12285	3.1
161.09624	6.6
161.13223	14.7
163.11163	6.2
167.08524	3.2
169.10081	14.1
170.10799	3.3
171.11668	18.7
173.13216	14.9
175.14803	17.5
177.16368	30.7
181.10121	4.0
183.11668	8.9
185.13181	14.5
186.13933	3.2
187.11185	7.8
187.14758	8.4
189.12721	4.0
189.16341	23.0
191.17822	4.0
195.11629	6.0
197.13184	10.5
199.14790	9.4
201.16275	13.7
203.17912	9.0
209.11583	3.2
209.13336	7.1
211.14851	12.9
213.16254	4.4
215.17914	9.3
219.17432	4.3
223.14815	4.9
225.16286	4.0
227.17900	4.8
237.11165	3.7
237.16331	7.8
239.17769	3.8
241.15807	3.0
241.19370	6.9
243.20947	4.4
255.17340	3.5
255.20946	8.8
267.21042	5.5
289.81979	3.1
293.22574	12.1
311.15179	4.3
311.23648	45.3
311.26282	16.2
334.10251	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	AS 183
Peak:m/z	Relative Intensity
53.03939	1.4
53.32962	0.7
55.01866	1.9
55.05508	72.6
56.05840	0.7
57.03433	27.5
57.07073	35.2
67.05499	10.1
69.07063	77.4
69.59637	3.4
70.04076	4.6
70.07396	1.1
71.04961	0.9
71.08625	22.7
73.02901	1.4
73.06551	1.0
79.05489	7.8
81.07048	13.7
83.05003	1.5
83.08612	64.9
84.08931	1.0
85.06531	0.8
85.10167	8.0
87.04428	0.8
91.05485	1.4
93.07047	8.5
93.83266	0.7
95.04988	0.9
95.08598	12.0
97.06514	6.3
97.10161	45.7
99.08088	0.8
107.08578	7.1
109.10142	4.7
111.08068	3.3
111.11712	13.7
121.10124	9.5
123.11715	2.2
125.09618	3.1
125.13249	2.3
129.05510	0.8
135.04405	1.7
135.11671	6.2
139.11136	2.7
149.13229	3.9
153.12703	0.9
153.94371	0.7
163.14836	1.4
209.11749	1.8
219.21030	1.8
226.20598	0.7
237.11191	1.0
237.22105	1.6
311.25772	100.0
312.26089	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	311.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59919	1.3
52.63706	1.4
53.03947	1.9
55.01878	3.2
55.05507	84.7
56.05851	1.7
57.03435	31.3
57.07071	42.1
59.04983	1.6
67.05501	12.1
69.07062	83.1
69.76666	5.6
70.04081	11.0
71.04988	1.7
71.08629	20.2
76.57687	1.4
76.74712	1.2
79.05482	8.3
81.07050	17.2
83.04986	5.1
83.08613	67.7
85.10180	7.9
85.87089	1.4
91.05506	1.8
93.07025	10.4
93.79845	1.3
95.01330	2.7
95.04976	4.6
95.08587	12.4
97.06525	7.8
97.10159	45.9
98.23469	1.9
99.08083	1.4
103.09183	1.2
105.07038	4.6
107.08575	9.8
109.10163	5.0
111.04447	2.3
111.08093	3.7
111.11717	13.3
117.35542	1.4
119.08576	2.0
120.69085	1.5
121.10151	11.1
123.11672	2.2
125.09632	2.4
125.13277	4.0
135.04414	7.2
135.11652	7.5
139.11227	1.9
145.10069	1.4
147.11746	1.8
149.13254	3.4
153.05492	1.5
153.12697	1.8
157.10144	1.6
161.09653	4.0
163.14839	1.7
181.04918	4.3
191.10590	2.3
209.00844	1.5
209.11687	13.2
219.21165	2.1
220.65382	1.5
237.11188	9.2
255.12213	1.4
279.79764	1.2
311.15393	2.4
311.25848	100.0
312.11612	1.7
312.26120	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	312.1077
Annotation	Dhurrin
Peak:m/z	Relative Intensity
65.03924	9.8
69.03436	11.9
70.06591	16.0
71.39515	7.0
81.03417	11.7
81.03852	5.2
84.08144	9.0
85.02922	9.4
97.02899	9.1
109.02845	9.3
110.06035	17.5
111.04463	7.1
111.06371	10.0
115.07562	6.6
118.04669	5.3
122.44154	6.0
124.03957	23.4
130.05035	5.7
132.04424	43.5
151.03896	100.0
151.05025	10.6
166.70177	5.4
181.04909	14.1
182.05289	16.0
235.22714	5.9
250.10739	8.4
265.75815	5.3
267.05930	5.4
295.08093	10.9
312.06982	7.5
312.10516	8.8
312.17157	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	312.1551
Annotation	Leonurine
Peak:m/z	Relative Intensity
53.03946	0.5
55.01850	0.4
55.02993	5.4
55.05503	3.1
60.05631	1.6
65.03942	3.7
67.05493	1.8
69.03411	1.0
69.07047	1.4
70.06580	1.1
70.68548	0.7
72.05617	1.9
72.08148	44.5
73.06535	1.8
73.08457	0.4
74.17942	0.4
79.05479	0.7
81.03410	2.2
82.04180	1.3
83.08614	0.6
85.02888	3.7
86.09700	1.4
87.04446	1.5
89.06039	1.1
90.09161	1.4
93.03374	1.7
95.04938	1.3
97.02875	0.6
97.06544	1.4
97.07643	24.9
100.11240	5.3
105.92609	0.4
108.02051	0.7
109.02850	1.2
110.03645	1.7
111.04428	1.7
114.10278	39.5
115.08643	1.1
125.05991	1.8
125.33392	0.4
132.11314	11.5
133.08638	0.6
136.84869	0.4
138.03104	1.5
140.04643	1.3
141.05525	0.5
142.02548	0.5
151.03902	11.2
151.05009	1.1
153.05464	4.5
155.07042	0.7
168.13811	1.9
171.06516	4.7
181.04933	100.0
182.05254	2.9
196.13313	1.3
209.16484	0.6
217.87244	0.4
295.07935	1.1
295.12894	2.0
297.81967	0.5
312.15482	80.6
312.26343	7.6
313.15826	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	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58209	1.3
53.03939	2.6
55.01865	2.9
57.03427	3.7
58.06577	1.5
61.02924	4.7
65.03945	5.9
67.05497	3.4
69.03426	13.2
69.07057	6.2
69.44403	1.0
70.06585	3.3
70.17454	3.0
71.04980	2.4
72.08157	4.6
73.02909	2.3
81.03416	14.3
84.04489	2.2
85.02899	48.5
87.04443	2.9
87.08093	6.9
87.33047	1.0
91.03954	3.0
93.03381	2.6
95.04974	2.5
97.02898	10.7
98.06120	1.3
99.04424	2.9
101.07098	1.2
109.02870	7.6
110.03586	1.0
110.07153	2.4
111.04449	5.5
114.10307	3.3
115.07523	1.2
115.08718	1.8
115.10685	1.1
116.09003	1.3
120.84376	1.1
122.02728	2.2
125.05995	3.9
127.03906	12.8
133.04961	1.4
133.08600	2.1
141.05437	2.8
145.04944	19.2
151.03906	100.0
151.05017	10.6
153.05467	1.2
162.05530	1.7
163.03645	3.5
163.06068	3.0
169.04948	4.9
172.95206	1.0
181.04936	22.6
182.05298	30.1
191.03040	1.9
204.10246	1.7
207.22620	1.1
213.64471	1.4
232.92859	1.6
250.10695	3.2
252.14207	2.0
253.12621	3.6
268.64050	1.2
289.33319	1.0
291.15756	1.0
295.02798	1.4
295.08160	10.3
295.14758	5.7
312.05878	1.3
312.17484	24.8
313.09372	1.2
313.18820	1.2
313.22104	5.2
328.32275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13584	0.3
60.05638	1.2
67.98843	0.3
70.06586	2.3
70.58410	0.4
71.05302	0.3
72.67157	0.3
92.04976	0.8
94.06559	2.2
96.04483	0.5
98.23430	0.3
110.06029	1.1
112.89569	0.7
116.07098	1.1
130.09729	0.6
132.02097	0.7
138.05490	100.0
139.05835	2.2
147.36826	0.3
150.07800	0.4
175.11880	3.3
176.01089	2.4
188.55803	0.3
328.88376	0.3
334.82108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14458	0.8
53.03935	1.6
55.01867	5.5
55.05510	62.2
56.05031	8.7
57.03429	1.7
57.07069	2.8
59.04991	2.2
61.54580	0.8
65.03956	1.0
67.05502	24.8
69.03426	7.5
69.07062	11.6
70.71934	1.4
71.08627	14.6
79.05486	17.4
81.03410	3.4
81.07052	22.4
83.04978	5.7
83.08615	39.9
85.06535	2.4
86.26935	0.8
91.05482	6.7
93.07037	10.0
95.04956	3.2
95.08595	5.9
97.06514	1.9
97.10166	78.4
98.10501	1.5
99.08092	13.8
101.09646	2.9
105.07026	5.9
107.08591	21.9
109.00181	1.0
109.06496	2.0
109.10152	5.9
111.04440	1.2
111.08080	3.1
117.06982	2.1
119.08577	3.8
121.10147	3.0
125.09627	68.1
126.12787	21.6
131.08539	1.4
133.10100	4.9
135.08076	6.5
135.11658	4.3
137.06015	1.2
143.08546	1.5
143.10696	4.9
145.10130	1.0
147.11679	2.1
149.13249	1.6
151.11192	6.6
153.01826	0.9
153.09103	5.1
157.10143	0.9
159.11673	0.9
161.13229	5.5
162.56934	0.8
163.11165	1.9
170.11774	3.0
171.10176	7.9
171.11557	1.5
173.13222	1.2
179.14304	5.1
185.13228	1.3
189.11206	100.0
190.11551	2.6
198.14845	3.3
210.12074	3.1
217.89661	0.8
227.87653	0.9
238.11557	2.6
241.19492	2.1
259.20593	2.8
277.21625	37.5
278.21991	1.4
295.22595	3.9
313.07031	1.5
313.17923	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	312.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49569	1.4
55.01881	2.1
55.05510	11.7
57.03424	6.3
58.06600	2.5
59.04997	3.1
67.05161	2.8
67.05501	43.1
69.03416	2.3
70.06590	25.9
70.79968	3.3
71.04998	1.9
72.04510	8.4
72.08155	38.4
76.36237	1.7
79.05492	41.1
81.03413	3.1
81.07059	12.5
83.04974	25.4
84.08141	6.5
88.69778	1.4
89.94942	1.4
91.05470	3.7
95.04964	3.1
95.08585	3.0
96.04487	1.8
98.09693	1.9
100.07615	91.9
105.07043	4.0
107.08591	38.5
110.09672	10.6
112.11232	3.3
113.07202	1.8
114.09130	1.7
115.82150	1.6
117.10255	4.0
119.86826	1.7
124.07608	3.1
124.11227	100.0
125.09630	89.8
125.11571	2.4
126.10027	2.1
131.04915	2.1
151.03899	18.3
151.05011	2.3
152.10696	13.8
155.11784	9.3
157.13359	2.7
162.12202	1.6
169.05017	1.8
169.13354	7.3
171.14906	22.9
178.15874	5.3
188.17612	16.0
196.16962	48.3
197.17271	1.6
206.15428	1.9
223.18091	2.1
224.16461	13.2
240.20674	25.0
241.19150	2.1
293.78964	1.6
294.25388	11.0
295.23752	7.7
312.26425	93.3
313.26785	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	312.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.6
55.82679	6.0
57.03438	6.7
67.05495	30.9
69.77856	22.3
70.06602	30.5
72.04510	6.3
72.08150	42.9
78.83888	5.7
79.05479	37.1
81.07050	10.9
83.04987	21.9
84.08131	7.4
100.07616	94.1
101.90849	5.3
103.91208	6.4
107.08591	39.9
110.09668	8.7
112.11254	5.7
124.11216	100.0
125.09624	83.6
135.79344	7.0
152.10707	9.6
155.11772	8.1
157.13315	5.5
163.43816	7.6
171.14954	19.8
188.17570	12.9
196.16962	69.5
224.16446	10.9
240.20706	20.9
258.97263	6.4
264.18622	5.7
265.94385	7.0
295.23779	7.3
298.83841	6.4
312.26413	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37038	1.4
55.01886	1.7
55.05515	13.3
57.03447	8.1
59.05008	3.4
65.40350	1.4
67.05163	2.6
67.05506	43.1
67.61667	1.6
69.03417	3.0
70.06245	2.1
70.06596	27.1
70.65173	2.8
72.04533	7.1
72.08154	45.2
79.05492	43.6
81.07050	18.0
82.06612	1.9
83.04986	23.0
84.08134	6.7
91.05494	4.3
95.04984	6.4
95.08604	2.5
98.09669	2.8
100.07618	97.5
101.07933	1.7
105.07001	2.2
107.08598	42.5
108.08140	1.6
109.06494	3.3
110.09676	13.8
112.11224	3.6
117.10225	2.9
122.09644	1.6
124.07667	2.1
124.11231	100.0
125.09632	87.7
125.11580	3.0
126.09955	1.7
136.11224	2.9
151.03903	12.5
151.04958	2.3
152.10719	13.0
154.95496	1.7
155.11810	9.4
157.13370	3.3
169.13367	7.0
171.14919	25.6
178.15933	6.2
188.17563	15.3
196.16966	60.9
223.18010	3.1
224.16451	12.3
240.20667	25.7
241.19006	1.9
276.24249	1.6
294.25381	11.8
295.23798	7.9
312.26434	98.0
313.26636	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	312.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.05513	1.2
57.03440	1.4
58.06595	1.3
61.02916	0.7
65.03930	3.9
65.35261	0.7
67.05502	9.7
69.03428	4.6
70.06586	18.0
71.04980	1.3
72.04513	3.2
72.08154	23.0
79.05495	1.9
81.03408	5.7
81.07054	7.0
82.25992	0.5
83.08617	0.8
84.08140	8.8
85.02893	5.0
85.06540	1.3
93.03415	2.5
93.07072	1.2
95.04969	0.9
96.08168	0.7
97.02893	1.7
98.09687	4.9
98.22623	1.3
99.04443	0.7
99.08096	2.9
100.07616	58.8
101.07946	1.3
107.08599	2.1
108.02087	1.5
108.08120	1.9
109.02854	3.2
109.10152	2.1
110.09661	8.1
111.04476	2.7
112.11234	2.6
113.07110	0.7
120.08124	0.8
121.10106	0.9
125.05981	2.8
125.09605	1.5
127.03945	1.4
136.11217	5.6
141.05469	1.5
145.05016	1.0
149.09599	1.0
151.03903	86.2
151.04996	7.6
155.11766	5.8
156.13824	0.8
158.53596	0.6
169.04967	4.5
169.13293	3.7
171.14914	16.2
196.16957	100.0
197.17212	3.4
198.18536	1.2
224.16441	10.6
241.19077	1.9
253.22765	1.4
294.25369	2.4
295.08182	4.5
295.23801	5.0
312.26422	62.0
313.09247	1.1
313.26773	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	312.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42578	1.2
55.05508	11.2
57.03430	4.8
58.06593	2.0
59.04995	4.4
62.20626	1.1
64.36523	1.2
65.36443	1.3
67.05501	36.8
69.07066	1.8
69.85373	2.6
69.85723	2.5
70.06589	22.2
72.04501	6.2
72.08156	36.0
79.05040	2.6
79.05490	39.2
81.07044	10.4
82.06567	1.6
83.04979	27.8
84.08143	4.3
91.05491	3.5
95.04960	4.0
95.08606	1.4
98.22695	1.4
100.07614	81.3
105.07024	3.3
107.08587	36.1
110.09698	9.3
112.11251	3.1
113.07147	1.4
117.10268	3.8
124.07572	1.9
124.11227	100.0
125.09629	89.4
125.11561	2.6
126.09986	1.8
138.09238	1.8
152.10695	11.1
155.11766	6.8
169.13350	5.5
171.14920	18.4
178.15913	5.7
188.17563	16.5
196.16963	35.4
197.17487	1.3
214.01547	1.6
223.18001	2.8
224.16443	9.3
227.18477	1.4
240.20695	27.0
249.03406	1.3
263.09436	1.4
294.25385	7.5
295.23593	7.4
312.26434	82.8
313.26801	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	312.3259
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
53.79398	0.7
55.05512	13.8
57.07084	4.9
58.06586	2.7
62.06091	6.8
67.05499	1.9
69.06712	1.0
69.07063	14.0
71.08619	2.4
72.08146	0.7
73.02898	0.6
74.06072	1.1
74.10101	0.6
79.05479	1.3
81.07047	2.4
83.08605	6.2
85.10201	1.0
91.05511	0.9
92.87199	0.6
93.07028	2.0
94.07352	0.7
95.04976	1.2
95.08595	2.5
96.08949	0.8
97.10159	3.1
105.07021	1.5
107.08580	1.4
109.10173	0.7
111.11716	1.0
112.58142	0.6
118.20118	0.6
119.08571	1.3
121.10130	1.8
131.08612	0.8
142.93837	1.3
143.08504	0.6
145.10133	1.2
146.10381	0.9
147.02406	0.6
147.11760	0.9
160.12115	0.7
160.85933	0.7
173.13261	0.9
198.13310	0.8
210.12067	1.0
294.22977	2.3
294.31607	2.1
312.12787	1.7
312.24326	6.4
312.32574	100.0
313.17926	1.5
313.32846	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	312.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11800	0.3
53.68599	0.3
55.05505	1.5
57.03420	1.3
57.07072	9.1
58.06601	2.1
60.08163	25.0
67.05496	1.2
69.07058	1.4
69.48620	1.4
71.08625	4.7
72.08134	0.3
79.05476	0.5
81.07043	1.2
82.88104	0.3
83.08596	1.3
85.10174	2.3
93.07045	0.4
95.04952	1.0
95.08607	1.5
97.10137	0.4
105.07011	0.3
107.08583	0.5
109.10125	0.7
110.69902	0.3
135.04358	0.5
146.79271	0.3
197.13298	0.3
208.28090	0.3
210.12079	0.4
238.11421	0.4
275.13516	0.3
312.36206	100.0
313.17966	0.5
313.21616	0.4
313.27356	4.6
313.33182	0.2
313.36563	6.5
329.08350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0706
Annotation	Aflatoxin B1
Peak:m/z	Relative Intensity
53.03941	0.2
53.91974	0.1
65.03928	0.5
67.05493	0.4
69.03423	0.4
69.07069	0.2
69.86356	0.1
79.05484	0.8
81.03408	0.8
81.07050	0.3
85.02917	0.3
86.94440	0.1
89.03909	0.5
91.01830	0.1
91.05499	0.7
91.05960	0.1
92.02637	0.3
93.03450	0.1
93.07041	0.1
95.04964	1.0
95.08591	0.3
97.02882	0.2
97.06504	0.1
98.98477	0.2
103.05463	1.9
105.03400	0.2
105.04476	0.2
105.07024	1.0
107.04939	0.6
109.02882	0.4
110.03597	0.1
111.04430	0.4
111.86520	0.1
115.05399	0.2
117.03409	0.6
119.01308	0.4
119.08517	0.1
120.02095	0.3
121.02860	3.4
125.05982	0.3
127.01546	0.2
131.04922	0.7
133.06482	2.0
134.03621	1.3
135.04405	3.6
136.91695	0.1
137.02370	0.8
137.06088	0.1
138.03047	0.2
141.06993	0.2
142.07802	0.1
143.01282	0.2
145.10139	0.2
147.00761	0.8
147.04379	0.2
147.08047	0.2
149.05989	0.4
151.03902	6.2
151.05019	0.6
151.07516	0.3
152.06210	0.3
153.06918	0.1
155.08548	0.1
157.10176	0.1
161.02332	8.4
161.05959	4.1
162.02705	0.1
165.01828	7.4
165.06940	0.3
165.09100	0.6
166.02190	0.2
167.08612	0.3
169.04973	0.2
169.06345	0.2
171.11681	0.2
178.06221	0.6
179.03372	0.3
179.04874	0.1
180.05650	0.2
181.06490	0.4
183.02873	0.8
185.09621	0.2
193.04974	0.9
193.08595	4.1
195.08058	0.2
197.05983	0.7
197.13306	0.1
207.04462	0.2
208.05138	0.4
209.05939	0.3
223.07607	0.3
225.05434	0.5
226.06233	3.1
231.13487	0.1
237.05447	1.7
249.14757	0.2
250.10747	4.2
253.04936	3.4
253.07449	0.2
254.03383	0.1
254.05701	2.8
255.06462	0.3
263.01859	0.1
267.06540	0.2
267.17361	0.2
269.08066	3.1
270.08533	0.2
283.05966	0.3
286.04688	0.5
295.08081	0.4
312.16519	0.2
313.07031	100.0
314.07358	4.7
317.77817	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	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03154	0.2
52.12509	0.2
53.03936	0.5
55.01863	0.6
57.03440	0.9
61.02909	0.3
65.03944	2.3
67.05501	1.6
68.83372	0.2
69.03432	1.6
69.45846	0.5
69.46239	0.3
71.01358	0.2
71.05000	0.4
73.02925	0.3
77.03917	0.5
81.03419	1.4
85.02906	1.1
93.03400	1.9
95.04964	1.3
97.02894	2.0
99.04459	0.7
100.07619	0.6
101.07955	0.2
103.43127	0.2
105.04543	0.4
108.02096	1.9
109.02881	0.7
110.03667	0.4
111.04441	2.1
121.03971	0.3
123.04372	0.4
124.11237	0.3
125.05981	1.5
127.03922	0.8
136.01584	0.4
141.05450	2.9
141.22304	0.2
143.99788	0.2
151.03905	100.0
151.04994	9.6
152.04253	2.6
152.05368	0.4
169.04959	1.4
171.14957	0.3
196.16969	0.5
241.08165	0.2
253.07085	0.3
295.08139	0.4
297.67038	0.2
312.26068	0.6
313.09097	3.0
313.12485	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	313.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01868	1.7
55.05513	2.5
57.03434	5.5
57.07061	0.6
58.06593	2.5
61.02918	0.6
65.03943	4.8
67.05159	1.1
67.05502	15.3
68.05039	0.8
68.05842	1.0
69.03423	7.1
69.07072	1.2
69.56166	2.0
69.56522	0.9
70.06590	27.5
70.99413	0.5
71.04988	3.1
71.06928	2.6
72.04512	6.9
72.08150	28.4
73.08485	2.6
76.10364	0.5
79.05480	4.1
80.05020	0.6
80.05820	0.8
81.02961	1.0
81.03413	14.8
81.07049	10.0
82.06567	0.7
82.07387	1.5
84.04504	0.5
84.08138	16.0
85.02888	5.3
85.06546	1.6
85.08473	1.0
88.86751	0.6
91.05461	0.8
93.03400	3.2
93.07053	2.7
95.04955	2.0
95.07343	0.8
95.08621	0.9
96.04501	1.1
96.08158	1.4
97.02872	3.3
97.06515	0.6
97.08876	0.9
98.09696	7.1
99.04461	1.8
99.08102	4.7
99.10063	0.9
100.07613	75.1
101.07931	7.7
102.05517	0.8
103.05467	0.8
105.07030	1.1
105.54922	0.6
107.04975	0.9
107.08570	2.9
108.02088	2.7
108.08107	4.4
109.02876	6.0
109.10151	4.4
110.03691	0.8
110.09678	17.2
110.10437	1.3
111.04441	4.2
111.08086	2.0
111.09998	2.6
112.07607	1.9
112.11226	3.3
113.07106	1.1
114.09167	2.0
118.11494	0.5
120.08108	1.5
121.10153	1.6
122.09653	0.7
123.10429	1.2
124.11243	3.9
125.05983	3.8
125.09618	2.3
126.10001	0.6
127.03923	2.3
127.11189	0.9
129.13931	0.7
131.04921	2.7
132.05261	1.2
136.01604	0.7
136.07585	0.6
136.11253	3.6
137.05954	0.8
137.11545	0.9
138.09138	0.6
141.05479	2.3
142.12245	0.8
143.11751	0.9
148.18964	0.6
149.09595	0.9
151.03902	100.0
151.05006	10.3
152.04228	2.4
155.11774	7.6
156.12131	1.2
156.13893	1.5
157.13324	3.7
166.12183	0.6
169.04977	5.5
169.13310	3.3
170.13684	0.7
171.14917	15.1
172.15311	3.4
178.15900	2.1
193.01343	0.5
196.16957	89.1
197.17299	30.8
198.18562	2.5
201.19652	0.7
206.15404	0.6
214.19142	0.7
222.77077	0.6
224.16440	12.7
225.16824	4.0
238.42189	0.6
241.19069	1.8
242.19530	0.9
253.22763	1.2
294.25351	2.5
295.05002	0.8
295.08124	10.7
295.23489	4.4
296.08530	0.7
296.24014	2.2
297.25165	0.6
312.26410	51.4
313.06845	1.2
313.26746	35.4
314.24448	0.8
314.27893	3.2
322.83545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01861	1.2
55.05498	0.8
57.03426	1.1
65.03936	4.2
67.05512	2.4
67.60870	0.6
69.03431	4.1
69.44344	0.5
70.06595	4.3
70.45229	1.1
71.04986	0.8
71.64555	0.5
72.08166	2.6
75.47540	0.4
81.03415	11.0
83.04953	0.5
83.08622	0.5
85.02904	5.0
91.05447	0.8
93.03397	2.3
93.07050	0.8
95.04961	1.8
95.08641	0.5
97.02888	1.2
97.07667	0.6
98.06040	0.8
98.97581	0.9
99.04478	1.2
100.07561	0.6
105.07067	0.6
108.02071	2.8
109.02877	5.9
111.04463	5.3
114.10304	1.5
116.98640	0.9
119.08585	1.2
121.03979	0.7
122.33015	0.6
124.03848	0.5
125.05972	3.2
126.01109	0.5
127.03899	1.4
134.99683	0.5
136.01546	0.9
141.05467	2.2
147.04483	0.5
147.08040	0.8
151.03905	100.0
151.04996	8.5
152.04236	2.6
169.04933	4.3
181.05023	0.7
196.16985	1.9
197.17358	0.7
235.06122	1.1
255.32327	0.5
290.95050	0.6
295.08127	7.9
295.21310	0.6
312.26483	1.4
313.09073	1.4
313.22318	7.4
313.26465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
53.03942	1.2
53.79430	0.2
55.01863	0.9
57.03423	0.9
61.02919	0.4
65.03937	3.8
67.05504	2.2
69.03423	4.7
69.23618	1.3
69.45501	0.2
70.06596	0.2
71.01375	0.2
71.04988	0.3
71.32419	0.2
72.08144	0.3
73.02909	0.5
77.03915	0.4
78.82619	0.2
81.03413	10.1
85.02904	4.7
93.03402	3.9
95.04963	1.6
97.02895	1.5
99.04469	1.1
100.07647	0.3
101.07896	0.2
105.04484	0.4
108.02103	2.8
109.02869	4.1
110.03652	0.8
111.04442	3.8
121.04025	0.3
123.04416	0.3
125.06001	3.3
127.03925	1.4
136.01532	0.6
141.05464	2.6
151.03905	100.0
151.04997	9.6
152.04231	2.4
154.94836	0.2
169.04958	5.3
170.05290	0.2
196.16986	0.6
295.08109	6.9
296.08423	0.4
312.26279	0.3
313.09088	1.1
313.26480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01873	1.0
55.05511	0.2
57.03438	0.5
61.02920	0.2
65.03941	3.7
67.05502	2.5
69.03427	3.3
69.25245	1.1
70.06596	2.4
71.01365	0.2
71.04977	0.7
71.06936	0.2
72.04510	0.6
72.08152	2.7
73.02916	0.5
73.08491	0.4
77.03918	0.5
79.05493	0.4
80.02624	0.4
81.03417	7.8
81.07053	0.6
84.08125	1.3
85.02905	4.1
89.25884	0.2
93.03406	3.4
95.04969	1.1
97.02904	1.5
97.24192	0.2
98.09676	0.4
98.38584	0.2
99.04448	1.2
99.08146	0.2
100.07620	8.4
101.07366	0.2
101.07919	1.0
105.04523	0.4
108.02087	1.9
108.08105	0.2
109.02874	3.7
109.10117	0.3
110.03664	0.4
110.09658	1.9
111.04439	3.2
111.10036	0.3
112.11233	0.2
121.03992	0.3
125.05991	2.9
125.09593	0.2
127.03909	1.5
136.01602	0.5
136.11206	0.5
137.07053	0.2
141.05478	2.2
151.03906	100.0
151.04997	9.1
152.04236	2.5
152.05339	0.4
155.11803	0.9
169.04955	4.3
169.13321	0.6
171.14926	1.9
172.15369	0.2
196.16968	12.8
197.17310	3.9
224.16414	1.3
225.16762	0.5
241.18964	0.3
253.07053	0.3
294.25247	0.3
295.08093	4.7
295.23700	0.4
312.26428	7.1
312.30029	0.4
313.09167	1.4
313.26755	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42603	0.3
51.02373	0.3
51.89818	0.3
53.03946	2.4
55.01861	1.1
55.05496	0.5
57.03423	1.1
61.02921	0.5
61.64017	0.3
65.03936	4.1
67.05506	2.1
69.03423	6.1
69.75060	1.0
70.06575	0.3
71.04987	0.7
72.08143	0.8
73.02904	0.8
77.03915	0.5
81.03413	18.0
82.00365	0.3
82.03729	0.4
83.41389	0.3
85.02895	4.9
86.09648	0.3
91.05475	0.6
93.03405	2.8
95.04954	1.4
97.02890	2.1
99.04457	1.6
105.04536	0.4
108.02094	2.5
109.02877	7.4
110.03678	0.6
111.04435	5.9
117.03403	0.7
121.03961	0.4
123.04416	0.5
125.05988	4.2
127.03875	2.0
129.06993	0.3
133.50606	0.3
136.01529	0.5
137.02321	0.4
137.05957	0.7
141.05458	2.1
145.02853	1.0
147.04341	0.3
151.03903	100.0
151.05000	9.6
152.04208	2.1
161.47763	0.3
165.69991	0.3
169.04967	5.1
174.06842	0.3
177.05428	1.7
189.09160	0.5
191.66901	0.3
200.06824	0.3
228.35329	0.3
251.06717	0.3
267.10208	0.3
295.08112	11.8
295.15118	0.4
296.08545	0.7
301.81937	0.3
313.09146	0.6
313.22290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32900	0.4
53.03938	2.8
55.01865	1.2
57.03428	1.2
58.06583	0.5
65.03941	4.5
66.23493	0.5
66.95679	0.4
67.05505	3.2
69.03423	6.6
69.07060	0.7
69.29127	0.4
70.06595	1.4
71.04988	1.0
71.22911	0.5
72.04498	0.6
72.08150	7.7
73.02923	0.8
73.08445	0.4
77.03928	0.8
79.05492	0.9
81.03412	18.1
83.04940	0.5
85.02898	5.2
91.05476	1.1
93.03386	3.5
95.04964	1.2
97.02911	2.0
99.04455	2.0
100.07603	2.6
105.04491	0.6
107.08610	1.2
108.02061	2.3
109.02872	7.4
110.09692	1.0
111.04442	4.2
112.11237	0.8
119.04961	0.7
124.11227	2.4
125.05973	3.2
125.09669	2.7
125.11568	0.5
126.12729	0.5
127.03925	2.1
129.06944	0.6
129.13873	0.4
131.04898	0.4
134.54890	0.4
136.01566	0.6
137.05974	2.1
141.05464	2.1
151.03905	100.0
151.05006	9.6
151.07362	2.7
152.04277	2.4
157.06479	0.5
169.04944	5.0
171.14825	0.7
174.06720	0.5
180.17461	4.7
188.17587	0.5
189.09155	1.5
196.16988	0.8
197.20140	4.3
205.88422	0.5
224.16406	0.7
226.18010	1.2
295.08118	13.2
312.26468	1.9
313.09079	1.4
313.14413	1.2
313.26776	1.1
314.27994	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	313.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25061	0.3
52.49976	0.3
53.03931	1.3
55.01862	0.4
55.05501	0.6
57.03426	0.9
65.03938	4.3
67.05504	2.4
69.03419	4.1
69.07040	0.5
71.04984	0.7
71.08608	0.3
73.02910	0.5
77.03957	0.3
79.05458	0.6
81.03417	6.7
81.07056	1.7
83.04982	0.6
85.02900	4.4
86.82732	0.3
91.05476	0.7
93.03394	3.4
93.07053	0.5
95.04949	1.1
95.08616	0.4
97.02882	1.2
98.09696	0.8
98.97548	0.4
99.04462	0.7
99.08086	0.5
105.07010	0.7
108.02119	1.8
109.02872	3.6
110.03676	0.5
111.04441	5.7
116.10719	0.6
116.98630	0.4
119.08537	0.7
121.04001	0.6
125.05988	3.7
127.03908	1.1
129.07005	0.4
131.08540	0.4
136.01556	0.7
141.05440	2.4
143.08510	0.3
151.03903	100.0
151.04996	8.8
152.04269	2.0
155.08565	0.4
157.10132	0.4
165.07014	0.3
169.04935	6.1
170.15378	2.0
183.11710	0.6
198.14899	4.1
226.14384	1.3
286.56583	0.3
290.94888	0.3
295.08099	5.3
297.17346	0.4
313.06744	0.6
313.10605	0.7
313.18213	2.0
313.24814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01863	0.9
57.03426	1.0
58.94157	0.2
61.02916	0.2
65.03937	4.3
67.05501	2.2
69.03423	4.6
69.45398	0.8
71.01350	0.2
71.04979	0.8
72.08134	0.6
73.02911	0.5
77.03924	0.6
79.05493	0.2
80.02636	0.3
81.03412	10.9
81.07057	0.2
84.04499	0.2
84.58554	0.2
85.02896	4.7
93.03392	3.4
95.04966	1.8
97.02884	1.8
97.07655	0.2
99.04463	1.1
99.60098	0.2
105.04518	0.5
107.04943	0.2
108.02087	2.2
109.02872	4.2
110.03651	0.6
111.04429	4.1
112.01607	0.2
114.10271	0.5
121.03993	0.3
123.04408	0.4
125.05965	3.7
125.06802	0.3
127.03888	1.3
136.01570	0.7
136.06212	0.5
141.05460	2.9
142.69896	0.2
151.03897	100.0
151.04985	9.5
152.04224	2.4
169.04945	4.9
170.05275	0.2
195.25780	0.2
253.07219	0.3
295.08087	7.6
296.08408	0.3
313.09036	0.9
313.15366	0.4
313.22235	2.1
314.09921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1069
Annotation	67858-30-4
Peak:m/z	Relative Intensity
54.44926	0.3
64.00487	0.3
67.05494	0.6
68.99780	0.4
69.03424	0.7
71.42680	0.4
75.35340	0.4
81.07055	0.7
85.02901	0.4
91.05469	0.6
93.07064	0.5
95.04961	0.6
95.08602	0.5
98.97531	0.4
98.98492	1.9
103.05474	0.6
105.03379	3.6
105.06996	0.6
107.08601	0.5
108.02084	0.5
109.02844	0.5
111.04454	0.5
116.98665	0.4
125.02383	0.7
127.01535	1.6
131.04971	0.4
133.06424	0.5
147.04367	0.5
151.03871	0.9
153.00626	0.8
153.01817	10.0
159.04434	0.4
159.11781	0.5
171.02863	1.4
178.06245	1.2
181.01276	5.2
199.02376	4.6
199.07527	0.6
200.97983	1.1
213.05446	1.6
225.05435	1.6
227.06952	3.2
227.08664	0.3
239.07089	0.4
243.06567	0.5
253.05022	2.1
254.05820	1.9
255.06534	15.4
256.06848	0.9
267.10098	0.5
269.08020	2.8
282.05075	0.9
283.05994	98.3
284.06357	5.3
285.07559	0.5
297.07547	2.5
298.05826	0.3
298.08340	11.7
313.10672	100.0
314.07770	2.7
314.11032	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	313.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96148	1.4
53.03938	6.0
55.01870	9.9
55.05256	3.1
55.05509	41.8
57.03432	32.9
60.77469	1.5
61.02914	2.4
65.03932	4.7
67.05157	2.2
67.05497	32.3
68.99791	6.1
69.03424	72.7
69.07059	24.3
70.55497	3.0
71.04989	23.9
73.02911	2.5
77.03897	2.3
78.02370	1.6
79.05492	29.2
81.03412	63.6
81.07048	43.5
82.04189	20.3
83.04976	41.9
83.08614	21.3
84.05260	1.6
85.02895	37.0
85.06528	3.4
87.00813	5.0
91.04940	2.8
91.05470	34.8
93.07038	40.9
93.72970	1.9
95.01306	2.2
95.04964	17.1
95.08600	39.1
97.02889	26.4
97.06509	14.4
99.04462	7.7
99.08075	7.3
103.05444	3.2
105.04512	3.6
105.07021	31.0
107.04946	8.8
107.08582	15.3
109.02899	5.2
109.06516	13.3
109.10125	6.4
111.04427	26.7
111.08073	100.0
112.08396	2.4
113.09651	11.5
115.03916	2.2
115.05466	3.5
117.07008	15.0
119.04935	3.0
119.08566	17.5
120.08099	3.6
121.06499	8.6
121.10142	6.8
123.04411	6.8
123.08060	21.8
124.35255	1.4
125.02354	2.7
125.05972	9.2
125.09605	4.0
127.01548	5.1
127.03911	5.4
127.07533	14.3
128.06203	2.7
129.06989	5.9
130.07782	2.5
131.08554	7.3
133.06493	5.1
133.10124	7.0
134.21080	1.6
135.08047	28.3
135.11723	2.4
137.05989	7.7
137.09619	7.3
139.07529	89.3
139.11163	4.3
141.05450	2.1
141.06985	3.0
141.09093	60.2
142.07639	1.7
142.09352	1.7
143.08548	6.7
144.09296	1.7
145.06459	3.5
145.10130	12.7
147.08037	6.4
147.11761	2.2
149.05984	3.0
149.09622	4.6
151.03900	54.6
151.04962	4.0
151.07524	41.0
153.09076	5.2
155.08585	3.9
156.09354	2.2
157.06416	2.2
157.10153	11.6
159.11673	5.8
161.09602	2.3
161.13232	3.2
163.07518	2.7
163.11177	9.0
165.09138	6.7
167.10632	2.9
169.04982	3.2
169.10117	7.3
170.10823	2.0
171.08014	2.4
171.11674	3.3
172.12444	3.6
173.09602	4.9
173.13252	4.8
175.14781	2.0
179.08475	1.7
179.10686	6.1
181.10185	2.9
181.12138	3.2
182.10841	1.7
183.11716	7.9
185.09581	2.8
185.13269	2.4
189.09143	7.3
191.10643	19.2
193.10172	2.5
195.11667	3.6
197.13261	4.3
199.11241	2.5
199.14885	1.9
203.10683	2.9
207.10159	7.1
209.11699	73.5
210.11995	2.4
211.11157	4.3
213.12708	5.8
213.16403	3.7
225.16345	3.6
229.12193	2.0
237.16383	4.4
239.17932	3.8
249.16272	3.0
253.12241	2.5
253.16060	2.4
255.17490	13.2
257.19095	2.0
267.17432	7.9
269.13791	3.3
285.18506	17.5
286.18567	1.6
295.08557	2.7
295.11734	68.1
295.16721	8.7
296.12097	2.2
313.07092	6.0
313.13235	4.6
313.17966	24.9
331.19016	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	313.1794
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
51.23110	0.7
52.98975	0.7
54.18744	0.6
55.01868	1.6
55.05512	6.4
57.03430	4.0
57.07069	14.5
59.05001	1.0
65.03941	1.9
67.05499	25.7
69.03422	8.2
69.07072	6.2
69.60339	1.4
69.60732	1.7
71.04990	7.7
71.08626	9.4
75.78098	0.6
77.03944	0.8
79.05498	6.0
81.03432	1.3
81.07049	21.3
83.04951	5.4
83.08620	2.5
85.02870	1.6
85.06530	1.9
85.10165	4.1
91.05467	9.2
93.07043	10.4
95.04965	8.2
95.08597	10.6
96.14111	0.7
96.74629	0.8
97.02888	19.4
97.06544	3.5
97.10113	2.0
99.08115	1.4
105.04520	0.8
105.07017	11.2
107.08588	3.2
109.06511	4.4
109.10162	3.1
111.04436	5.9
111.08066	3.0
113.05984	2.8
117.07023	2.9
119.04927	1.6
119.08573	23.4
120.08891	0.8
121.06509	2.3
121.10140	2.8
123.04392	1.9
123.08091	1.1
123.11701	1.0
128.06227	2.2
129.06975	3.6
130.07762	1.4
131.07668	1.0
131.08565	9.1
133.06479	1.3
133.10133	6.5
135.08067	2.0
137.05963	2.3
137.09586	1.3
139.07555	2.2
141.05453	9.3
141.07010	1.9
142.07756	7.8
143.08559	8.9
144.09302	2.3
145.10115	12.4
146.88867	0.8
147.08044	1.0
147.11676	2.6
149.09598	0.8
153.01833	0.7
153.07010	1.4
154.07698	1.6
155.07025	9.7
155.08534	4.2
156.09309	6.7
157.10129	15.9
157.12155	5.2
158.10855	3.0
159.08031	3.8
159.11674	10.2
160.12184	1.0
161.09567	2.1
163.07428	0.9
163.11064	0.8
165.06938	1.5
167.08543	4.6
168.09315	2.4
169.10101	13.5
170.10887	6.7
171.07977	1.4
171.11687	12.8
172.12457	1.3
173.09593	3.1
173.13258	13.7
175.11200	1.2
178.07716	0.8
179.08533	3.3
180.09416	1.5
181.10101	5.9
182.10925	4.4
183.08092	1.0
183.11676	11.4
184.12495	6.2
185.09651	4.7
185.13254	7.1
187.11176	5.6
187.14818	2.2
192.09349	2.6
193.10106	4.8
194.10857	2.7
195.11652	8.2
195.89339	0.9
196.12474	4.3
197.09564	1.6
197.13234	28.3
198.13835	1.3
199.11194	2.2
199.14815	1.8
201.12723	2.7
203.14186	1.7
205.10130	2.7
206.10921	3.0
207.11713	6.9
208.12474	2.2
209.09833	0.7
209.13225	7.9
210.14012	1.2
211.11200	2.4
211.14781	8.4
213.12717	1.2
215.14291	5.1
219.09883	1.2
219.11714	2.6
220.12451	13.2
221.13232	5.2
222.13907	1.3
223.11246	1.6
223.14783	3.0
225.12720	2.0
225.16344	5.9
234.13994	3.7
235.14783	21.5
236.15445	1.3
237.12779	1.3
238.13269	0.9
247.11194	0.8
249.16370	6.0
251.14334	1.1
251.17807	0.8
253.15797	6.4
255.13805	1.8
257.11734	0.9
257.15179	0.9
257.24777	1.5
259.14893	1.0
262.13486	1.1
267.17410	3.3
271.16888	1.7
277.15808	2.5
280.14700	1.3
295.16925	11.2
312.32565	2.5
313.17953	100.0
313.27353	17.9
313.33002	2.2
314.18378	4.5
314.28070	0.9
314.34128	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1796
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
50.10458	1.2
53.03940	2.6
55.01856	2.1
55.05506	7.2
62.90881	1.3
65.03930	1.9
67.05498	16.0
69.03423	2.8
69.07056	4.2
70.93272	2.4
77.03915	1.6
79.05499	11.8
81.03415	3.9
81.07049	8.9
83.04958	7.9
91.05467	17.4
93.07033	16.6
95.04965	10.4
95.08599	12.7
97.02891	3.7
97.06529	2.8
101.02358	4.2
105.07020	23.4
107.08586	16.2
109.02833	1.7
109.06500	9.2
109.10150	4.4
111.04436	17.9
115.05484	2.2
117.07006	7.9
119.04940	3.7
119.08566	28.8
121.06512	7.0
121.10126	10.0
123.08087	2.7
125.02329	2.1
125.05991	2.2
127.03903	2.5
128.06232	4.2
129.06961	7.8
130.07755	2.7
131.08560	19.2
133.06490	5.3
133.10117	16.6
134.07274	9.1
135.08034	2.8
135.11649	1.5
141.06996	5.5
142.07722	9.6
143.08566	14.7
144.09311	3.4
145.06490	1.9
145.10121	18.6
147.04350	1.4
147.08035	6.8
147.11691	11.8
149.06033	1.8
149.09615	4.5
151.07516	3.3
153.06993	2.9
154.07785	1.8
155.08542	13.1
156.09332	9.7
157.10115	23.3
158.10889	3.0
159.08058	5.9
159.11661	20.8
161.09631	7.6
161.13240	2.1
163.07494	1.6
163.11258	1.4
165.07013	5.3
166.07718	2.7
167.08514	7.5
168.09338	5.0
169.10124	16.3
170.10861	8.7
171.08012	4.2
171.11681	19.1
172.08794	1.6
172.12433	2.5
173.09598	10.3
173.13220	15.0
174.10298	1.7
175.07596	2.2
175.11179	5.5
175.14815	1.7
177.09090	2.3
178.07759	2.0
179.08539	8.5
180.09332	5.9
181.10127	10.6
182.10889	9.0
183.08066	1.9
183.11673	25.7
184.12439	3.3
185.09573	6.0
185.13274	7.9
187.11197	7.5
187.14839	5.3
188.11978	3.4
189.09055	1.8
189.12831	1.7
192.09232	6.4
193.10097	13.7
194.10870	6.7
195.11687	14.3
196.12500	4.2
197.09593	4.7
197.13235	26.2
198.13968	6.3
199.11244	2.4
199.14793	3.9
200.11942	1.4
201.09068	3.9
201.12744	9.3
203.10764	1.5
203.14284	10.8
205.10239	3.3
205.22504	1.3
206.10901	5.6
207.11658	18.9
208.12408	2.1
209.09587	2.3
209.13210	13.4
210.13881	3.0
211.11218	6.3
211.14781	12.2
213.09007	1.9
213.12796	2.7
213.16368	3.2
215.14264	11.0
216.15060	7.0
219.11752	6.7
220.12396	7.9
221.13214	11.0
223.11198	3.9
223.14813	5.8
224.11928	1.8
225.12770	7.2
225.16292	11.2
227.14328	2.1
229.12239	3.3
231.10172	6.3
234.14066	6.0
235.11166	2.6
235.14752	11.1
236.15543	3.0
237.12756	3.7
238.13521	2.8
239.10570	2.4
239.14359	3.2
239.17946	7.4
241.12181	2.3
241.19495	1.7
243.10027	1.7
243.13893	1.7
247.11133	1.5
249.16359	14.2
251.17943	4.2
253.12158	4.4
253.15976	7.1
255.13950	1.8
257.11700	2.2
257.15356	2.9
262.13388	2.2
267.14069	2.9
267.17432	13.6
269.15378	1.7
269.18997	3.3
271.13385	2.6
271.16885	8.5
277.15778	7.2
280.14331	2.0
285.18430	11.3
295.16876	35.8
296.17233	1.9
313.17953	100.0
314.18192	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	313.1794
Annotation	TRIPTOPHENOLIDE
Peak:m/z	Relative Intensity
53.03923	0.9
55.01852	1.6
55.05507	4.1
55.08303	0.6
57.03437	0.8
57.07063	1.5
65.03931	1.5
65.48076	0.6
67.05160	1.1
67.05500	20.5
69.03418	8.0
69.07048	1.5
69.69676	2.5
71.04996	6.1
79.05483	5.6
81.07051	16.1
83.04970	5.3
83.08595	1.5
85.02866	0.9
85.06535	0.7
91.05468	8.3
92.85320	0.7
93.07027	9.5
95.04961	6.8
95.08617	4.0
97.02879	17.4
97.06520	2.5
98.22741	1.1
103.05419	0.8
105.04514	0.8
105.07025	9.3
107.04929	1.1
107.08587	3.5
109.06496	3.9
111.04430	5.1
111.08085	1.9
113.06001	3.4
115.05399	1.3
117.07043	3.8
119.04907	1.3
119.07742	1.3
119.08569	19.6
121.06495	3.0
121.10131	2.9
123.04427	1.7
123.08096	1.1
128.06210	1.7
129.06998	3.1
130.07764	2.0
131.08542	5.8
133.06464	1.3
133.10095	6.1
135.08034	1.7
135.30260	0.6
137.05962	2.2
139.07547	1.8
141.05431	5.5
141.07028	2.1
142.07747	7.5
143.08546	6.9
144.09282	1.3
145.10121	11.8
147.08086	1.1
147.11696	2.0
153.07024	1.3
154.07721	1.1
155.07021	8.9
155.08527	5.4
156.09334	6.4
157.10124	13.8
158.10823	2.8
159.08025	3.6
159.11670	8.6
161.09618	2.4
165.06993	1.9
166.07631	0.7
167.08505	3.6
168.09271	1.7
169.10112	14.8
170.10870	6.6
171.07985	0.8
171.11665	12.2
173.09637	4.5
173.13240	10.2
174.10353	1.3
174.13728	0.8
175.11131	1.0
178.07854	1.0
179.08478	3.3
180.09180	0.9
181.10095	5.2
182.10924	4.2
183.11670	11.3
184.12437	6.7
185.09639	3.4
185.13228	6.6
186.10400	1.2
187.11223	4.1
187.14772	1.2
192.09361	3.0
193.10086	4.6
194.10899	2.7
195.11688	8.3
196.12436	2.9
197.09546	1.8
197.13237	27.9
198.13802	1.3
199.11169	2.3
199.14809	1.4
200.11894	1.1
201.12735	4.4
201.82907	0.7
202.13451	1.5
203.14282	1.7
205.10091	2.7
206.10863	3.7
207.11681	6.7
208.12418	2.1
209.09618	0.9
209.13235	7.3
210.13896	1.9
211.11252	1.3
211.14769	8.6
213.12769	1.0
215.14334	5.5
219.09888	1.4
219.11719	2.0
220.12439	14.3
221.09744	0.9
221.13222	6.0
222.13991	0.9
223.11165	1.5
223.14774	2.9
225.12721	2.0
225.16325	4.7
233.13115	1.2
234.14058	3.3
235.14767	18.5
236.15416	1.5
237.12720	1.6
238.13524	1.3
239.14250	0.9
239.17975	1.2
249.16409	7.0
253.12076	1.2
253.15843	6.9
255.13734	1.6
259.14899	0.8
262.13354	1.6
267.17438	3.9
271.13181	1.0
271.16772	1.8
277.15878	2.6
280.14590	1.7
285.15128	0.7
285.18402	1.4
295.16895	9.7
313.17938	100.0
314.18274	7.0
334.98093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1795
Annotation	TRIPTOPHENOLIDE
Peak:m/z	Relative Intensity
53.03942	1.9
55.01868	1.2
55.05511	5.9
55.61845	1.0
57.07044	1.5
58.13884	1.1
65.03938	3.0
67.05495	11.7
69.03414	2.8
69.07046	3.9
70.93613	1.0
70.93954	0.9
72.69394	0.9
79.05472	6.8
81.03393	1.8
81.07050	10.5
83.04963	4.2
83.08608	1.6
91.05476	13.2
93.03420	1.3
93.07037	17.1
95.04959	7.3
95.08593	12.9
97.02878	5.3
97.06517	2.8
101.02374	2.3
105.07019	17.6
107.08577	12.2
109.06522	4.2
109.10148	5.1
111.04436	12.5
115.05402	1.6
117.07018	4.9
119.04909	1.7
119.07732	1.8
119.08568	23.6
119.09412	1.3
121.02762	1.0
121.06503	7.4
121.10127	12.2
123.08045	3.0
125.02338	3.5
127.03854	1.3
128.06201	2.9
129.06992	4.9
130.07767	1.2
131.08560	12.5
133.06511	5.2
133.10106	16.1
134.07234	4.6
135.08054	3.5
135.11649	4.4
137.05934	2.1
139.07520	1.3
141.06979	3.4
142.07719	5.3
143.08563	11.1
144.09346	2.4
145.06416	1.6
145.10107	15.6
147.08008	3.0
147.11667	10.9
148.08784	1.3
149.09622	2.7
151.07465	1.2
153.06941	2.4
154.07697	1.4
155.08542	8.3
156.09340	7.2
157.10104	18.4
158.10875	3.7
159.08028	5.2
159.11673	19.9
161.09590	4.7
161.13251	4.1
163.07553	2.1
163.53462	1.1
165.06979	3.8
166.07771	2.6
167.08543	5.2
168.09329	3.0
169.10086	13.5
170.10878	4.4
171.08075	1.9
171.11678	13.8
172.12289	1.7
173.09612	7.3
173.13216	12.6
175.07468	1.9
175.11194	3.7
175.14806	3.3
178.07663	1.9
179.08540	3.5
180.09279	2.6
181.10085	8.2
182.10867	6.5
183.07994	1.8
183.11665	20.6
184.12335	2.4
185.09583	4.6
185.13216	8.7
187.11130	6.1
187.14835	5.2
188.11864	2.7
188.15417	1.3
189.09100	1.9
189.16386	1.8
192.09341	2.8
193.10107	8.1
194.10864	3.2
195.07933	1.2
195.11691	12.0
196.12445	3.9
197.09567	4.5
197.13248	21.6
198.13950	4.6
199.11102	2.2
199.14822	3.8
201.09076	2.9
201.12733	6.0
203.10515	1.4
203.14285	7.0
205.10182	2.1
206.10872	3.7
206.51826	1.0
207.11653	12.4
208.12376	1.9
209.09509	1.9
209.13214	9.1
210.13907	2.4
211.11095	5.3
211.14771	9.4
213.09174	1.7
213.12822	1.4
213.16441	3.3
215.10646	2.5
215.14262	10.9
216.15018	7.3
217.12248	1.4
219.11679	3.3
220.12491	5.0
221.09621	1.6
221.13156	5.3
223.11194	1.9
223.14780	3.9
225.12715	6.6
225.16281	6.1
227.10722	1.7
227.14131	1.1
229.12332	2.0
231.10127	4.2
234.13930	5.2
235.11169	2.3
235.14767	9.2
236.15450	2.3
237.12750	3.6
237.16283	1.9
238.13449	1.6
239.10651	2.7
239.14273	2.6
239.17921	8.7
241.12289	1.6
241.19531	1.4
243.13692	2.0
245.11795	1.1
247.11098	1.2
249.16331	11.5
251.14040	1.2
251.17975	3.8
253.12292	4.6
253.15814	6.7
255.13821	1.8
257.11664	2.8
257.15274	1.3
259.14902	1.2
262.13461	1.4
267.17398	13.9
269.15448	1.2
269.19107	2.2
270.16049	1.1
271.13928	1.2
271.16901	8.9
277.15787	7.3
280.14612	1.7
283.16913	1.4
285.15280	1.4
285.18399	7.1
295.16898	28.0
295.23932	2.2
296.17194	2.3
313.17938	100.0
313.25098	6.6
314.18265	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	313.1795
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
53.03939	1.7
55.01863	1.6
55.05506	8.9
55.15563	1.0
57.07075	1.5
65.03926	2.8
67.05159	1.4
67.05498	17.0
69.03414	3.7
69.07061	6.1
71.05002	1.2
71.43723	1.2
73.02917	1.0
79.05481	14.5
81.03397	2.6
81.07047	19.6
83.04964	5.8
83.08589	2.9
85.06506	1.6
91.05465	21.9
93.03389	1.8
93.07029	23.2
95.04962	17.7
95.08011	1.9
95.08591	23.8
97.02867	3.0
97.06507	3.6
98.98444	2.4
101.02370	1.8
103.05457	2.4
104.40890	0.9
105.04524	1.8
105.07012	28.3
107.04943	1.7
107.08575	19.3
109.06487	8.9
109.10159	9.6
111.04420	16.1
111.08043	2.8
115.05438	2.1
117.06997	5.2
119.04906	3.5
119.08560	35.2
121.02851	1.8
121.06485	7.8
121.10136	13.3
123.08074	5.0
123.11705	2.1
125.02352	2.9
125.05976	2.9
127.03839	1.3
128.06190	4.6
129.06979	7.0
130.07773	2.7
131.08549	20.8
133.06482	5.3
133.10110	20.9
134.07239	6.0
135.08049	3.9
135.11655	6.7
137.09607	1.6
139.11090	1.0
141.06970	6.2
142.07758	9.6
143.08545	13.0
144.09311	4.1
145.06488	2.6
145.10110	24.9
147.08029	4.3
147.11667	14.5
148.08832	1.7
149.06009	1.3
149.09589	2.6
149.13237	4.0
151.07524	1.4
153.06976	2.7
154.07739	3.3
155.08487	9.8
156.09317	10.1
157.10109	24.2
158.07210	1.6
158.10883	3.6
159.08041	7.1
159.11673	18.2
161.09628	6.1
161.13254	7.6
163.07471	1.8
163.14830	1.2
165.06998	4.9
165.09038	1.6
166.07736	1.3
167.08495	6.4
168.09302	3.0
169.10106	16.3
170.10889	8.0
171.08035	3.0
171.11662	19.2
172.12418	2.6
173.09586	9.1
173.13245	19.4
174.13869	1.6
175.07591	1.5
175.11153	4.5
175.14839	2.7
177.12778	1.2
178.07806	1.9
179.08549	7.4
180.09322	3.5
181.10101	11.1
182.10835	6.9
183.08076	2.4
183.11671	25.2
184.08762	1.1
184.12346	2.3
185.09602	6.0
185.13216	9.1
186.10376	1.4
187.11179	6.8
187.14758	8.2
188.11882	3.3
188.15477	1.3
189.09062	2.4
189.16411	2.7
192.09276	5.2
193.10075	11.3
194.10866	4.3
195.08160	2.5
195.11681	14.0
196.08820	1.9
196.12474	5.0
197.09641	4.9
197.13225	24.5
198.13962	5.0
199.11099	2.4
199.14760	6.9
201.09061	2.1
201.12712	6.7
201.16293	1.8
203.10548	2.2
203.14265	10.9
203.17943	1.6
205.10146	3.7
206.10895	4.3
207.11653	14.8
207.48685	1.1
208.12450	2.9
209.09550	3.3
209.13217	9.8
210.13982	3.5
211.11227	6.8
211.14795	11.3
212.11964	1.4
213.09076	3.7
213.12798	3.2
213.16246	4.9
214.13416	1.6
215.10631	3.3
215.14316	9.6
215.17928	3.1
216.15094	6.9
217.12274	1.1
217.15842	1.9
219.11705	4.4
220.12398	7.1
221.13200	9.1
222.13799	2.2
223.11285	1.4
223.14731	3.2
224.11952	1.9
224.15453	1.7
225.09137	1.7
225.12764	5.5
225.16313	8.7
226.16707	1.1
227.10564	1.0
227.17902	1.4
229.12222	1.6
229.19470	2.0
231.10138	3.8
233.13341	1.7
234.13927	7.7
235.11140	1.9
235.14717	10.4
236.15471	2.0
237.12735	4.1
237.16304	1.3
238.13457	1.6
239.10588	2.6
239.14232	2.8
239.17940	5.4
243.13811	1.1
247.11093	1.8
249.16335	11.5
251.17981	4.5
253.12190	5.1
253.15839	7.4
255.13640	2.1
257.11554	2.8
257.15292	1.2
262.13528	2.7
265.12216	1.3
267.14175	1.6
267.17429	14.9
267.20599	1.8
269.19055	2.2
269.22589	1.5
271.13599	1.7
271.16916	7.3
277.15808	5.0
280.14536	2.1
285.15289	1.8
285.18454	8.0
295.16858	31.5
295.24060	6.8
296.17361	1.7
313.17929	100.0
313.25171	17.8
314.14081	1.0
314.18192	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	313.1794
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
53.03938	0.9
55.01871	0.9
55.05508	3.4
55.76154	0.4
57.03433	1.0
57.07064	1.0
65.03927	0.6
67.05496	5.0
68.99793	0.5
69.03416	4.6
69.07070	3.2
70.15898	1.1
71.04968	0.7
74.47536	0.5
79.01424	0.4
79.05487	5.2
81.03404	1.0
81.07043	5.2
83.04982	1.5
83.08605	0.7
85.28192	0.5
91.05466	7.3
93.07036	8.8
95.04958	4.9
95.08592	9.8
97.02879	7.0
97.06512	1.9
103.05456	0.9
105.04501	0.5
105.07011	10.9
107.04934	1.0
107.08588	5.1
109.06509	2.7
109.10136	2.0
111.04424	1.8
115.05462	1.2
116.06237	0.5
117.07017	3.4
117.14328	0.4
119.08568	13.4
121.02883	0.8
121.06511	2.6
121.10123	4.3
123.08057	1.5
123.94968	0.6
125.02322	1.3
125.05971	3.7
128.06223	1.5
129.06992	3.8
130.07750	1.9
131.08549	8.4
133.06479	2.2
133.10120	7.1
135.04395	0.8
135.08047	2.0
135.11673	1.3
137.05963	0.8
137.09607	0.5
139.07518	0.8
141.06975	3.6
142.07790	5.0
143.08556	7.9
144.09386	2.2
145.06451	1.2
145.10101	15.6
146.10643	0.6
147.04439	0.5
147.08000	2.8
147.11671	4.5
149.09601	1.2
151.07663	0.5
153.01796	2.6
153.06979	1.8
154.07803	1.8
155.08539	7.9
156.09343	7.0
157.06529	0.5
157.10107	13.8
158.07253	0.9
158.10886	2.4
159.08054	4.6
159.11685	9.0
160.08824	1.3
161.09549	2.7
165.06908	2.6
166.07764	1.1
167.07135	0.9
167.08499	3.9
168.09337	2.6
169.08661	0.8
169.10104	13.1
170.10889	5.6
171.02853	0.5
171.08038	1.2
171.11659	11.3
172.08838	1.6
172.12341	2.1
173.09607	11.6
173.13235	7.9
174.10324	1.7
175.11174	2.0
175.14856	1.1
177.09042	0.7
178.07793	1.7
179.08524	3.8
180.09291	2.2
181.10101	11.6
182.07323	0.5
182.10876	6.0
183.08072	1.3
183.11668	13.7
184.12395	2.1
185.09622	2.9
185.13232	5.9
186.10391	2.1
187.07579	0.5
187.11197	7.7
187.12775	0.8
187.13347	0.6
187.14764	5.1
188.11897	4.3
189.09041	0.7
189.12654	2.9
191.08601	0.9
191.10539	0.5
192.09357	3.2
193.10089	9.8
194.10919	3.4
195.11670	8.9
196.08844	0.9
196.12471	9.0
197.09534	2.5
197.13222	13.2
198.10370	0.6
198.13994	3.5
199.11174	1.9
199.14809	1.9
200.12015	1.3
200.15527	1.0
201.09077	1.5
201.12718	7.1
203.10658	1.9
203.14378	1.2
204.39619	0.5
205.10130	2.5
206.10898	2.8
207.11682	10.9
208.12436	2.5
209.09628	1.1
209.13255	5.6
210.10335	1.0
210.13957	1.5
211.11433	5.4
211.14787	31.6
212.12192	0.6
212.15355	1.9
213.09149	1.2
213.12738	1.3
213.16359	2.8
215.10710	1.4
215.14282	15.1
216.14952	2.7
218.10924	0.6
219.11745	2.9
220.12430	7.7
221.13251	7.7
222.13928	1.5
223.11111	1.6
223.14783	2.1
224.11981	1.9
225.12769	4.2
225.16328	4.7
227.10736	1.0
227.14240	1.4
229.12279	1.3
229.15887	1.9
231.10126	5.5
233.13245	1.0
234.14000	3.8
235.11201	0.8
235.14790	16.8
236.15445	4.1
237.12871	0.9
237.16281	1.3
238.13438	1.6
239.10684	1.9
239.14284	2.6
239.17929	2.4
241.15782	0.6
243.10233	0.7
243.13718	0.8
243.76291	0.5
249.16364	7.9
251.10796	0.9
251.14308	0.6
251.17848	0.9
252.15276	0.6
253.12296	2.8
253.15848	4.6
254.12573	0.6
255.13794	1.9
257.11728	4.5
257.15295	0.8
262.13483	1.3
265.12216	1.1
265.15878	0.5
266.12961	2.1
267.13809	1.7
267.17398	5.7
269.11661	0.6
269.15326	0.9
269.18982	0.7
270.12424	1.5
271.13446	2.8
271.16492	2.6
277.15762	2.4
280.14529	2.1
285.07520	1.1
285.14822	11.6
285.18417	3.6
286.15152	0.7
295.16913	21.7
296.17285	0.6
298.15570	1.5
313.07172	3.4
313.17935	100.0
314.07318	0.5
314.18265	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	313.1797
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
55.01899	1.2
55.05494	4.4
65.03928	1.5
67.05487	4.4
67.56585	1.3
69.03423	2.4
69.07059	5.7
71.42922	1.3
79.05485	4.8
81.03413	2.5
81.07037	8.1
83.04973	3.6
83.08606	1.7
85.02892	3.4
91.05479	6.3
93.07052	5.4
93.22697	1.1
95.04985	1.4
95.08601	7.9
95.28580	1.1
95.77412	1.3
97.06503	2.8
99.04476	2.9
100.77530	1.1
105.07045	7.3
106.71222	1.0
107.04954	1.3
107.08584	7.7
109.02798	1.1
109.06521	3.2
109.10142	3.3
111.04456	2.1
117.07018	2.4
119.08578	23.3
121.02776	1.1
121.10119	1.6
123.08097	1.9
125.06004	1.2
127.01573	3.1
127.03918	1.3
128.06226	2.1
129.06992	3.9
130.75826	1.2
131.08551	4.0
133.06436	1.6
133.10106	8.2
137.05956	3.5
141.06990	3.3
142.07759	4.3
143.08553	6.6
145.10124	8.7
147.11629	2.0
151.03905	16.5
151.05008	2.6
151.07466	1.7
153.07060	1.1
154.07773	2.8
155.08574	8.1
156.09320	5.1
157.10144	15.8
159.08096	1.6
159.11688	13.4
161.09639	3.0
165.06955	3.0
166.07721	1.6
167.08556	3.9
168.09294	4.5
169.10120	51.7
170.10886	9.3
171.08084	2.3
171.11671	15.9
173.09666	2.3
173.13210	3.8
176.32603	1.1
179.08571	2.8
181.06497	1.2
181.10133	8.4
182.10873	5.6
183.08072	2.3
183.11685	57.2
184.12268	1.8
185.09639	3.8
185.13243	20.0
185.61261	1.1
186.13599	1.4
187.07532	1.8
187.14867	4.2
189.09129	1.6
192.09145	1.4
193.10117	13.2
195.07967	1.3
195.11667	8.9
196.08867	7.2
196.12357	5.1
197.09532	4.5
197.13252	16.0
199.11198	2.5
199.14809	3.5
201.09135	3.0
201.16426	4.6
203.10536	1.4
206.10884	2.5
207.11734	7.5
208.12396	2.5
209.09554	3.1
209.13179	5.5
210.14000	5.6
211.11165	60.8
211.14778	4.9
212.11546	2.2
213.09073	22.8
213.12691	1.2
213.16585	1.7
215.10664	5.0
219.11742	3.5
220.12393	3.2
221.09502	2.1
221.13139	2.4
223.11259	2.9
223.14810	5.9
224.15631	1.8
225.09186	1.7
225.12996	5.5
225.16364	32.2
226.16670	1.6
227.10555	1.3
229.12254	4.0
234.14000	5.0
235.11288	2.1
235.14818	5.0
237.09018	2.5
237.12689	1.3
239.10725	4.8
239.14360	1.9
239.17931	17.1
241.19443	5.5
243.10190	2.0
243.13704	1.9
243.17577	1.3
249.16357	20.8
250.16855	1.5
251.10861	1.2
251.14320	4.7
251.17958	1.7
252.11443	3.3
253.12219	6.2
253.15880	3.8
257.11530	1.9
265.12177	1.2
267.17419	46.6
268.17816	2.8
269.15335	5.0
269.18924	1.9
271.16846	9.8
277.15829	3.1
285.18478	28.1
286.18832	1.5
295.16928	43.5
296.17328	3.5
303.83972	1.3
313.17963	100.0
314.18234	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	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.13686	5.9
53.90314	6.8
54.70891	6.3
55.01867	29.7
55.05518	65.1
57.07076	9.2
59.00810	6.0
63.00176	7.6
66.25375	6.5
67.05502	100.0
69.07056	42.5
71.04994	8.6
71.08628	17.4
71.13997	10.1
79.05488	65.9
81.03403	9.7
81.07050	85.2
83.04997	12.9
83.08622	35.3
85.06554	6.6
91.05482	41.3
93.07022	67.4
95.04963	12.7
95.08608	51.8
97.06518	20.1
97.10169	17.7
99.08090	16.7
105.07046	23.2
107.08584	33.8
109.10191	37.9
111.08070	27.5
118.88296	6.2
119.08588	16.2
121.10136	21.9
123.08085	12.7
123.11758	7.7
125.09653	12.9
133.10136	19.9
135.11691	21.8
137.09587	12.4
139.11180	22.7
147.11714	19.6
149.09671	9.6
149.13252	34.9
151.03899	6.6
151.11153	13.4
151.54329	6.0
159.11647	7.6
161.13269	12.8
165.12750	16.5
173.11784	18.9
177.12741	13.7
195.13809	19.7
213.14810	8.4
249.22099	12.1
259.20544	20.5
277.21591	67.2
278.21875	9.3
295.22659	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29566	1.8
52.87401	1.7
55.05507	17.4
57.07063	2.6
60.46500	1.6
65.03945	4.1
67.05503	42.8
69.07060	13.3
69.19881	4.5
69.20289	6.5
74.42680	1.7
76.60951	2.0
77.03944	2.2
79.05495	27.8
81.07054	61.4
83.04971	8.5
83.08611	6.0
85.06535	2.8
91.05471	32.1
93.07040	59.8
94.45638	1.7
95.04967	53.6
95.08600	52.5
97.06516	7.0
97.10149	4.5
98.98442	4.0
102.10049	1.8
103.71825	1.9
105.04517	3.0
105.07020	48.1
107.08588	43.1
109.06497	12.8
109.10155	26.0
111.08053	4.4
117.07035	9.1
119.08567	38.3
121.06483	4.6
121.10136	24.6
123.08082	2.4
123.11697	7.4
129.06995	5.2
130.07858	2.2
131.08554	22.0
133.06557	2.2
133.10132	35.1
135.08038	6.0
135.11693	30.0
137.09579	2.2
137.13237	3.3
141.07011	3.8
142.07800	3.4
143.08545	14.2
145.10120	37.4
145.11212	2.7
147.11682	30.1
149.13223	17.2
151.11179	2.8
155.08528	4.1
156.09326	3.8
157.10089	15.4
159.11670	30.0
161.13255	36.8
163.11142	2.4
163.14758	5.1
166.35962	2.0
169.10129	6.1
170.10983	2.0
171.11703	12.6
173.13258	13.8
175.11118	2.8
175.14841	11.2
177.12645	2.6
181.10104	3.2
183.11696	6.8
185.13251	13.0
185.29854	2.1
187.14827	14.2
189.12769	2.2
189.16411	5.3
197.13304	5.8
199.14722	12.8
201.16382	7.6
203.14258	2.6
203.17940	5.0
207.11719	2.1
209.13326	2.7
211.14865	10.9
213.16388	10.9
215.14343	2.9
215.17950	13.2
217.19531	2.7
224.15915	2.0
225.16374	7.2
227.17986	5.8
229.19557	6.0
231.17389	2.3
235.14757	2.1
239.17896	7.1
241.19633	2.6
253.19589	2.8
255.21039	4.8
267.21054	9.4
269.22528	4.6
285.25760	2.5
295.17014	3.0
295.24152	43.5
313.14511	2.9
313.17960	24.7
313.25250	100.0
314.18430	2.6
314.25558	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	313.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05509	21.4
60.55257	2.1
65.03921	2.6
67.05497	36.7
69.03406	2.6
69.07063	17.5
69.19623	9.7
71.04994	3.5
77.03951	2.2
79.05490	35.2
81.07048	65.2
83.04971	8.7
83.08614	4.6
83.49177	2.0
85.06528	4.1
86.41250	2.0
91.05466	38.7
93.06445	3.7
93.07037	62.7
95.04965	55.0
95.08604	52.6
97.06528	6.7
97.10162	4.1
98.22626	3.2
98.97539	2.2
98.98466	4.7
105.07027	50.1
107.08588	45.1
109.06513	13.6
109.10146	28.7
111.08067	6.0
111.11750	2.3
115.05429	2.0
116.98592	1.9
117.07015	7.5
119.08575	44.6
121.02846	3.3
121.06469	4.6
121.10146	38.1
123.08020	3.4
123.11726	10.0
125.09648	3.0
129.07013	5.7
131.08554	26.7
133.10123	33.6
135.08028	5.3
135.11673	35.8
137.09653	3.3
137.13255	2.5
141.06981	2.7
142.07787	4.2
142.68852	1.7
143.08545	14.6
144.09340	2.5
145.10106	40.4
147.11667	30.6
149.09647	2.2
149.13242	22.6
151.14867	2.5
155.08568	4.3
156.09357	2.1
157.10089	17.6
158.10924	3.1
159.11708	28.4
160.12190	2.4
161.09650	3.9
161.13243	34.9
161.14519	2.6
162.13477	1.9
163.14836	6.1
165.12727	2.6
169.10136	7.6
171.11678	15.3
172.12292	2.3
173.09589	2.5
173.13225	19.8
175.11230	2.4
175.14839	11.4
177.12735	3.4
181.10068	2.2
183.11684	8.7
185.13217	14.3
187.14796	15.7
189.12819	2.8
189.16420	7.5
195.11679	2.1
196.12584	2.3
197.13231	7.3
199.14809	16.0
201.16434	9.2
203.14407	4.2
203.17957	6.4
205.15918	2.9
211.11082	2.0
211.14798	12.6
213.16351	13.4
215.17969	19.4
217.15872	4.4
217.19371	2.6
219.17354	1.9
219.68820	1.9
220.12286	2.2
225.16429	7.0
227.17993	5.2
229.19583	6.5
231.17473	3.9
235.14709	2.7
239.17918	9.6
241.19600	2.7
253.19595	5.0
255.21129	4.7
257.19147	2.8
267.21078	10.9
268.21457	2.4
268.41409	2.1
269.22522	9.1
279.81888	2.1
295.16919	4.6
295.24194	42.3
313.17950	24.7
313.25232	100.0
314.25406	4.1
321.10791	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	313.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.05508	19.6
57.07066	3.3
59.23864	1.6
62.55906	1.5
63.70814	1.4
65.03920	3.8
67.05158	2.7
67.05499	40.4
68.07788	1.5
69.03426	3.0
69.07064	15.1
70.07300	3.6
71.79039	1.9
76.16407	1.5
79.05480	29.2
80.37147	1.5
81.07047	61.2
83.04974	8.2
83.08604	6.9
85.06524	3.4
91.05473	30.0
93.07037	60.8
95.04961	58.9
95.08022	3.4
95.08600	51.0
95.77229	1.6
97.06506	5.3
97.10154	4.5
98.98464	2.7
105.04482	3.7
105.06353	2.8
105.07021	45.2
107.08585	48.0
109.06496	14.3
109.10141	26.1
111.08068	5.0
117.07069	9.4
117.07771	2.4
119.08562	45.2
121.02837	2.2
121.06502	4.5
121.10141	34.5
123.08039	3.1
123.11697	10.6
125.06025	1.5
125.09652	3.2
127.01593	1.8
128.06210	1.9
129.06979	6.3
131.08553	23.2
133.09186	2.8
133.10123	39.3
135.08022	5.7
135.11678	30.4
137.09598	3.2
137.13219	2.9
139.11179	4.0
141.06969	4.5
142.07770	4.6
143.08569	13.7
144.09337	1.8
145.10110	37.2
147.11661	32.4
149.09624	4.9
149.13229	19.5
151.11154	2.2
154.57355	1.9
155.08554	4.5
156.09297	2.5
157.10089	15.4
159.08133	1.9
159.11684	28.9
160.12024	1.5
161.09630	1.9
161.13243	34.9
163.14818	5.1
169.10127	8.4
170.10918	1.8
171.11655	15.3
173.09604	4.0
173.13268	17.2
174.37968	1.7
175.14796	12.0
177.12694	3.4
178.54243	1.5
181.10027	2.7
182.10802	1.9
183.11702	9.9
185.13214	14.2
187.14799	14.7
188.12047	2.0
189.12697	3.2
189.16370	5.5
193.10077	2.5
195.11774	1.8
196.12466	3.9
197.13235	8.2
198.13954	1.8
199.14795	14.6
201.12727	1.7
201.16382	9.7
203.14320	3.1
203.17931	6.8
209.09482	1.6
209.13329	2.8
211.14795	14.4
213.16364	14.4
215.14449	2.7
215.17931	14.8
217.15869	4.2
221.13197	3.2
225.16377	7.3
227.17955	5.3
229.19431	8.9
231.17355	5.0
235.14742	4.3
239.17970	12.4
243.17393	1.9
253.19458	3.9
255.21060	3.3
257.19058	1.7
267.21094	12.7
269.22568	7.7
278.11972	1.7
285.14581	1.8
285.25720	4.0
295.13278	2.3
295.16949	3.3
295.24219	37.6
296.24442	2.3
313.07184	1.9
313.14337	3.9
313.17920	30.8
313.25208	100.0
314.25589	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	313.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03552	1.1
55.05512	12.8
57.03413	2.2
57.07067	8.8
65.03910	2.4
67.05500	29.5
69.03397	1.7
69.07053	11.6
70.45089	2.9
71.04961	2.5
71.08614	6.1
79.05487	20.2
81.03392	1.3
81.07053	48.2
83.04969	6.1
83.08601	6.8
85.05729	1.3
85.06509	3.6
85.10152	3.7
91.05478	14.0
93.06465	1.9
93.07035	38.0
95.04961	100.0
95.08596	58.3
97.06489	5.5
97.10120	3.6
105.04420	1.2
105.06361	2.0
105.07020	27.7
107.08585	50.2
108.08892	1.3
109.06507	15.7
109.10149	22.4
111.08028	4.8
117.06974	4.0
119.07783	1.9
119.08570	25.4
120.08815	1.7
121.06485	5.9
121.10136	21.1
123.08003	3.4
123.11699	8.0
125.09618	1.8
129.06949	3.9
131.08575	9.2
133.10107	14.2
135.08017	7.6
135.11679	14.8
137.09543	2.0
137.13205	1.9
139.11072	1.2
142.07719	2.2
143.08496	5.1
145.09138	1.3
145.10114	17.4
147.11667	19.9
147.12747	2.5
149.09598	2.1
149.13257	15.8
157.09050	1.0
157.10112	10.3
159.10571	1.9
159.11691	21.7
161.09520	1.5
161.13240	25.1
163.11116	1.8
163.14775	5.7
165.12750	2.1
169.10051	3.1
171.11679	10.1
173.13243	8.4
175.11157	3.1
175.14793	6.5
177.12682	2.5
177.16356	2.7
183.11653	1.8
185.13257	6.7
187.14784	7.8
189.12698	2.7
189.16304	3.4
191.14307	2.1
197.13135	3.8
199.14813	8.6
201.16353	6.1
203.14221	2.7
203.17850	3.9
205.15895	3.5
205.19458	2.0
207.11731	1.4
211.14745	2.3
213.16284	6.3
215.18001	5.9
217.15749	4.1
217.19418	1.8
219.17296	3.5
225.16289	4.3
227.17816	3.4
229.19368	3.4
231.17398	5.6
239.17818	4.3
253.19449	3.3
255.20949	1.3
257.18896	2.0
264.97760	1.1
285.25562	4.9
288.12256	1.2
289.37454	1.1
295.24179	28.9
313.17642	4.2
313.25046	76.3
313.32764	2.5
314.25317	6.4
314.34091	9.6
331.27350	1.5
336.20047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17919	2.6
55.05512	19.1
57.07051	3.6
65.03933	4.5
67.05500	38.7
69.07063	20.3
71.08613	2.6
71.43225	3.2
79.05486	34.0
81.07050	57.7
83.04972	7.3
83.08617	6.2
85.06533	4.8
91.05471	35.9
93.07034	56.2
95.04962	75.7
95.08598	46.2
97.06544	4.2
97.10171	6.8
98.97545	4.7
100.79358	2.4
105.07021	46.3
107.08582	46.2
107.12232	2.7
109.06514	19.0
109.10138	24.6
111.08072	6.7
111.11714	3.6
117.07005	12.5
119.08580	42.1
121.06516	4.9
121.10139	32.6
123.11684	12.2
129.06978	7.0
131.08537	18.4
133.10135	32.1
135.08047	6.3
135.11670	30.1
139.11232	4.2
143.08603	13.0
145.10121	33.3
147.11682	26.4
149.13252	18.1
155.08495	4.1
157.10106	12.7
159.11691	32.1
161.13242	30.8
163.11153	2.9
163.14771	9.0
169.10091	9.2
171.11717	13.6
173.13255	20.0
173.17195	3.2
175.11122	3.1
175.14774	9.4
179.14389	4.3
183.11694	7.5
184.12540	3.5
185.13251	11.9
187.14786	12.1
189.12756	4.4
189.16360	7.3
196.12389	2.8
197.13193	11.2
198.13789	3.2
199.14781	11.5
201.16353	9.5
203.14317	4.0
203.17955	6.9
211.14738	13.0
213.16331	10.2
215.17880	16.7
217.15878	3.9
217.19498	3.6
225.16286	5.9
227.17938	3.5
229.19507	5.0
231.17296	4.2
235.14828	3.0
239.17889	9.0
241.19464	3.6
243.91776	3.2
253.19461	3.9
255.21033	4.3
267.21030	14.1
269.22562	9.3
285.07388	3.9
295.24164	37.1
296.06635	3.1
313.07083	7.1
313.14594	3.1
313.18063	15.6
313.21991	3.7
313.25180	100.0
314.13852	4.7
314.25632	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.7
57.03437	24.3
57.07076	73.7
58.93519	0.7
59.04984	0.8
61.16254	0.6
67.05505	14.6
67.36393	0.6
69.07068	13.6
69.33674	3.5
71.05013	0.7
71.08629	46.5
75.04473	0.8
78.40390	0.7
79.05488	1.7
81.07053	19.7
81.07503	1.2
83.04983	1.0
83.08614	15.0
85.06530	0.8
85.10178	25.7
86.78893	0.7
87.04462	0.8
89.06035	3.8
92.06243	0.7
93.07040	2.6
95.04964	0.9
95.08605	27.6
97.10169	7.3
98.22729	1.5
99.11739	1.1
103.07587	2.9
105.07047	1.5
107.08609	1.5
109.10153	12.6
111.11707	1.5
117.09140	1.3
119.08488	0.9
121.10162	1.1
123.11700	5.0
125.13270	1.0
135.11763	0.7
137.13268	2.0
139.11221	0.7
151.14919	0.8
159.46300	0.7
165.16449	0.7
169.10149	1.0
239.23671	4.3
246.97884	0.7
257.24734	6.8
289.03314	0.7
312.36224	1.6
313.17868	2.3
313.27362	100.0
313.36661	2.9
314.13757	0.7
314.27750	5.2
314.33926	0.7
321.42349	0.7
328.92764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03113	1.7
52.83212	0.6
55.01799	0.6
55.57097	0.6
68.99733	1.5
69.03364	1.3
69.89499	0.7
69.89839	1.5
74.88437	0.7
79.05400	1.2
80.02547	2.6
83.48674	0.6
89.03870	0.9
94.04478	0.7
98.03589	1.6
102.04640	0.8
105.06945	1.2
108.02096	45.0
108.02771	1.9
109.02339	1.0
117.03286	1.1
118.04088	1.0
124.01561	0.9
125.02277	1.6
126.02579	0.9
132.05705	23.8
133.06491	29.8
133.99942	1.0
134.06702	2.4
135.04410	20.2
135.05406	0.8
136.01544	17.1
136.04678	1.0
141.06984	3.2
142.67070	0.6
152.00926	1.9
153.01796	6.8
153.06909	1.6
154.02609	20.8
168.00403	1.0
169.06471	7.5
170.02075	1.3
170.06776	0.7
171.02818	1.2
175.04097	0.7
181.06425	3.1
183.07954	2.0
184.08723	2.4
197.05946	4.1
200.02719	1.1
209.05940	1.0
211.07422	2.2
212.08279	1.6
225.05399	2.6
239.07008	1.2
240.07803	11.6
242.05692	1.6
243.06151	1.7
253.04890	0.8
266.05646	0.7
267.06351	1.1
268.07297	88.9
269.07675	4.4
270.05252	2.1
271.05911	2.8
284.06729	1.4
285.07605	4.2
286.07996	8.4
296.06787	100.0
297.07217	5.5
299.05493	1.7
300.06247	2.5
313.07150	4.4
314.07715	66.6
314.30521	1.6
315.08411	6.1
315.19589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	2.1
57.03424	1.9
60.04510	3.7
62.49253	1.4
67.28198	1.4
69.03420	4.9
69.70634	4.9
70.06587	68.7
71.04989	12.9
72.08146	5.7
81.03413	1.8
84.08124	3.3
85.02905	17.5
89.06026	100.0
91.86858	1.2
95.06090	9.6
96.61841	1.3
97.02881	17.2
97.07638	5.5
97.88586	1.4
98.06069	1.4
98.97578	5.1
99.04439	3.4
101.61124	1.4
108.08117	3.6
109.02885	2.9
110.07154	2.2
112.07594	11.0
112.08735	12.1
114.10272	4.4
115.08681	19.1
116.07083	33.4
116.98592	3.0
118.31570	1.1
127.03903	3.1
127.84608	1.2
129.10190	1.5
130.09761	4.5
134.99736	2.4
135.06520	35.3
136.06177	23.4
138.05493	2.5
139.08667	4.4
140.07069	2.8
140.08134	2.4
150.07750	1.6
152.07016	5.1
152.10622	2.5
157.09680	10.7
158.08078	2.0
158.09242	1.6
171.12415	1.4
174.97630	2.2
175.11894	4.0
182.09235	3.5
199.11893	26.3
213.12228	1.6
217.12917	15.7
219.01939	2.5
226.63647	1.4
255.13609	2.6
290.94650	2.4
314.07651	4.5
314.12277	4.6
314.18164	62.8
315.10638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.0
57.03439	1.9
59.35258	0.8
60.04516	4.8
60.05641	2.0
61.02909	2.0
69.03424	4.0
70.06586	100.0
71.04988	7.9
72.08144	9.1
76.89556	1.0
81.03411	1.7
84.08150	3.2
85.02903	7.7
86.09704	1.3
89.06026	50.0
94.06548	1.5
95.06087	14.3
97.02882	24.8
97.07637	5.5
98.06038	1.5
98.97590	5.1
99.04437	2.8
108.08084	5.7
110.07185	2.0
112.07601	16.0
112.08701	15.3
113.07122	2.5
114.10285	7.4
115.08681	31.9
116.07085	51.3
116.98610	4.2
119.01791	1.1
119.15723	1.0
124.07600	1.2
127.03898	1.3
129.10254	1.7
130.09729	6.5
134.09651	1.8
134.99704	2.5
135.06516	15.9
136.06174	46.7
138.05473	2.3
139.05864	1.8
139.08672	3.8
140.06035	1.9
140.07066	3.8
140.08121	2.3
143.01590	1.4
145.04936	2.1
150.07762	1.2
152.07043	3.1
152.10716	2.7
154.09782	2.2
154.96617	1.0
157.09727	14.7
158.08075	2.9
158.09233	2.2
164.05666	3.6
174.97623	1.9
175.11934	3.5
177.00954	3.7
178.07217	1.7
182.09198	4.2
184.05318	1.2
199.01714	1.3
199.11896	30.9
200.10271	1.7
215.09882	1.9
216.98888	1.4
217.12927	19.0
218.04192	1.7
219.02002	5.8
255.13521	4.1
277.00681	1.8
291.07632	1.0
291.97174	1.3
296.08060	1.7
314.08789	3.3
314.12735	6.8
314.18188	73.0
315.18475	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	314.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71512	0.9
55.05508	1.3
56.05032	1.3
58.06586	0.8
59.04999	100.0
59.16545	0.8
64.36220	0.7
67.05492	2.4
69.03432	1.9
69.07053	1.7
70.06588	2.4
72.08146	1.8
73.06534	1.9
79.05464	1.9
81.03417	1.5
81.07043	2.6
83.04938	0.9
83.08640	1.1
84.04501	2.4
84.08138	2.2
85.02889	1.6
86.06068	4.6
86.09681	2.4
87.04454	6.0
89.06026	62.3
91.05444	1.2
93.07013	1.7
95.06080	0.9
95.08591	1.1
96.04478	1.1
96.05609	2.0
97.02875	1.8
97.06515	1.3
98.06030	1.1
98.97606	1.5
101.17406	0.8
103.07574	85.5
104.07131	1.1
104.07908	1.9
105.07001	1.5
107.07055	2.8
107.08598	1.1
107.59484	0.7
110.06067	1.2
110.70523	0.8
111.58635	0.7
112.07579	0.9
114.09158	1.6
116.98615	0.8
119.08572	1.1
120.04460	0.9
121.06540	0.9
121.10114	1.0
124.03976	0.8
124.07555	0.8
126.01117	1.2
129.03616	1.0
133.08592	33.2
136.06119	1.1
137.05930	1.2
147.10147	24.1
147.11357	1.3
149.09555	2.1
151.03915	5.6
152.04262	5.2
152.07092	1.2
153.05461	0.8
172.12465	0.8
177.11224	10.8
180.06546	4.7
191.12790	1.4
193.12210	1.0
201.12190	0.8
209.13928	1.1
210.14874	1.1
212.09209	4.4
230.10179	2.2
253.16374	2.9
264.08575	1.1
270.16885	1.6
290.94638	1.3
297.19077	33.1
298.19244	1.2
314.09912	1.1
314.19492	9.7
315.04819	1.6
315.10696	1.2
315.20071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.8
56.01389	3.6
56.05029	3.6
58.06595	6.6
59.35996	0.7
63.07816	0.8
67.05506	4.1
69.07066	10.5
69.75403	2.6
70.06593	11.7
72.08151	100.0
73.08497	1.7
74.02434	13.0
76.07642	7.5
79.05489	1.0
81.07049	2.1
83.08611	2.0
84.04499	5.9
84.08154	4.9
85.02865	1.3
89.10786	1.9
98.23324	1.0
100.07602	1.8
102.05522	5.9
105.07045	1.0
108.08120	3.1
109.10140	2.0
110.09674	16.2
112.11235	5.5
118.08683	1.3
123.10420	2.4
124.07651	0.7
124.11208	2.6
126.12794	8.0
129.13835	4.4
131.04967	1.9
133.10161	0.9
146.16527	1.0
151.03889	3.6
151.11153	1.0
152.04318	4.0
158.14462	0.8
180.17459	92.2
181.17842	4.2
197.20119	80.2
198.20468	2.8
208.16949	1.2
210.03781	0.9
226.17975	14.2
240.19498	2.2
241.18159	0.9
243.20694	2.6
297.25214	1.1
314.28009	42.9
315.08783	1.8
315.28262	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	314.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
55.05508	1.8
56.01394	2.8
56.05033	3.3
57.07076	0.7
58.06599	7.5
62.56045	0.4
65.03926	0.9
67.05505	4.7
67.84940	0.4
69.03422	0.8
69.07065	9.8
70.06586	11.5
72.08150	100.0
73.08475	1.5
74.02442	11.0
75.09242	0.9
75.63598	0.4
76.07639	8.7
79.02281	0.5
79.05499	0.6
81.03414	1.8
81.07063	3.0
82.03759	0.5
83.08611	1.9
84.04500	4.1
84.07669	0.9
84.08138	10.7
85.02922	0.6
89.10782	2.0
91.05473	0.7
95.04988	0.7
96.08148	0.5
97.02885	0.6
98.09697	1.5
100.07610	1.6
102.05537	6.5
103.05453	0.7
105.07019	1.8
107.08610	1.4
108.02023	0.6
108.08102	2.6
109.10153	4.0
110.09672	13.4
111.04437	0.5
112.11237	20.8
113.11600	0.5
116.24813	0.5
118.08675	0.8
123.10455	1.5
124.11201	1.5
125.09609	0.5
126.12781	8.7
129.13866	15.2
129.14810	1.0
130.14249	0.7
131.04942	3.2
133.10133	1.7
138.01823	1.0
146.16483	2.6
151.03911	5.4
151.05026	0.9
151.11160	1.4
152.04234	6.6
152.05362	0.8
165.01839	0.7
166.01384	1.0
167.02142	2.0
169.70099	0.5
180.17461	87.0
181.17841	3.5
185.03152	0.8
185.20107	1.7
188.38150	0.5
192.02859	0.8
193.01314	0.9
197.20119	66.3
198.18849	0.5
198.20447	3.0
208.16991	1.5
209.15237	0.5
210.03925	1.0
211.02412	0.5
225.05472	0.6
226.18005	12.9
227.18253	0.8
240.19572	6.7
243.20724	2.6
254.25845	3.5
269.07974	0.7
271.08362	1.4
285.03949	0.9
296.08859	1.3
297.25330	1.5
299.05267	0.7
300.06238	0.6
314.10495	0.5
314.27991	40.5
315.08542	3.3
315.15457	0.6
315.28345	2.6
332.27875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.05510	3.1
55.48528	0.7
56.01386	2.7
56.05044	4.1
56.05260	0.9
57.07100	1.0
58.06598	6.4
61.08862	0.8
65.03909	1.3
66.04273	0.8
67.05499	5.1
68.38949	0.8
69.03410	1.8
69.07066	11.1
70.03719	1.1
70.06594	11.7
72.08154	99.8
73.08482	1.5
74.02441	12.0
76.07642	9.5
81.03420	3.1
81.07047	2.8
82.03740	1.6
83.08632	1.7
84.04510	4.1
84.08145	6.9
89.10797	2.4
91.05473	2.4
91.16895	0.8
95.04939	1.1
98.06038	1.5
98.23481	2.5
98.97595	2.0
100.07617	2.7
102.05544	7.6
105.07073	1.2
107.04932	1.0
107.08607	1.3
108.08112	1.6
108.08877	1.0
109.02859	2.1
109.10145	3.7
110.09680	14.3
111.10026	1.0
112.11240	13.5
113.02273	1.0
116.98654	1.7
118.04144	4.1
119.04941	1.7
121.02869	1.6
123.10426	1.7
124.11244	1.0
125.11609	1.2
126.12786	9.4
129.13875	9.9
131.04930	3.0
136.01559	3.8
140.14317	8.1
144.46095	0.9
146.16534	1.4
149.04756	1.1
151.03899	17.3
151.05023	2.2
151.11205	1.2
152.01018	2.5
152.04225	18.0
152.05344	2.1
153.01814	4.8
154.02594	2.7
169.01302	2.3
170.02089	1.4
180.17467	88.9
181.01372	1.7
181.17838	4.4
182.02019	1.4
183.18588	6.7
193.01521	1.0
197.04413	2.6
197.20122	76.8
198.01605	1.5
198.20496	2.5
208.16953	1.9
214.40735	0.9
223.07512	1.2
226.18019	12.6
240.19566	3.7
242.05667	1.1
243.20703	2.4
251.07082	1.2
253.04834	4.5
254.05716	7.1
254.25952	2.3
269.04578	1.9
269.07813	1.3
270.05179	1.2
271.05975	23.8
271.08542	0.9
281.04440	1.8
282.05240	10.4
283.06012	3.3
286.04788	2.0
290.94833	1.2
296.08548	2.8
297.25418	2.3
299.05499	20.9
300.06256	23.1
314.10229	1.1
314.27991	51.2
315.05203	4.3
315.08594	100.0
315.28229	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	315.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88976	16.2
56.96561	23.1
58.53820	20.3
69.92741	46.9
70.06596	25.0
72.08139	19.2
84.08138	32.9
86.09686	26.7
92.26907	16.1
98.23369	21.8
98.97575	59.2
106.02926	19.5
109.35721	16.9
116.98644	42.0
124.03945	22.9
129.10252	28.4
134.99661	22.0
152.07048	19.2
158.01276	30.0
211.88078	18.5
274.97372	27.0
315.03879	100.0
315.07391	33.1
315.10403	62.7
333.08472	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78233	1.2
56.46753	1.3
58.06568	1.6
67.05507	1.6
69.07034	1.4
69.61441	6.2
70.06583	3.2
72.08175	6.7
84.08166	1.5
88.14739	1.3
91.05526	1.9
98.97566	3.7
109.11689	1.3
110.09732	1.7
112.11227	2.3
114.61217	1.5
116.98621	1.4
118.04135	3.3
121.02881	1.7
126.01131	1.4
136.01529	1.7
151.03851	4.3
152.00990	2.8
152.04333	1.5
153.01797	3.9
169.01303	13.4
180.17461	2.4
181.01216	2.0
189.63451	1.6
197.04489	1.8
197.20207	1.9
241.52219	1.6
251.06473	1.9
253.04887	2.5
254.05664	4.7
271.06064	14.8
282.05264	7.9
283.06015	2.9
285.03928	2.0
299.05502	19.8
300.06299	20.7
314.28156	1.8
315.04333	5.3
315.08569	100.0
316.08893	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	315.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80299	18.8
56.96563	54.0
67.32213	18.1
69.90994	27.4
69.91325	25.4
70.06575	86.4
70.29045	19.5
72.08157	72.3
72.49454	16.4
84.08145	29.2
86.09702	52.2
87.19839	17.5
87.86633	17.1
98.22754	21.8
98.97566	51.3
116.07109	27.2
116.98627	28.0
129.10271	33.7
137.02232	19.7
140.00223	37.8
151.03877	30.9
158.01268	54.6
194.35229	16.9
201.12514	19.7
220.53413	15.7
231.14819	18.0
284.99017	16.7
297.03085	35.8
300.06052	34.4
315.03857	100.0
315.07693	55.9
315.20032	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08600	8.9
56.96557	23.1
62.56835	9.1
68.23147	8.3
69.99805	18.7
70.00123	14.8
70.06583	30.3
72.08150	22.2
81.77684	9.0
84.48978	8.8
86.09710	15.8
98.97572	14.6
140.00185	26.3
158.01260	38.9
223.03966	12.7
241.04919	9.9
251.06361	17.6
271.04254	19.3
289.05283	10.4
297.03125	48.0
315.04245	100.0
315.07590	17.5
315.23795	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0859
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
52.12827	0.2
55.01863	0.4
58.81219	0.2
69.63779	0.4
69.64162	0.4
80.02628	0.3
90.04619	0.2
91.05478	2.2
93.70755	0.2
96.02095	0.5
108.02091	0.8
118.04144	3.3
119.04967	1.6
120.05733	0.5
121.02870	0.9
124.01571	0.9
136.01558	3.3
137.02336	0.3
139.00294	0.5
151.00305	0.4
152.01033	3.0
153.01817	3.5
154.02618	2.2
164.01048	0.3
165.01833	0.8
170.02112	0.7
170.07283	0.3
180.00499	0.4
181.01346	1.5
182.02115	1.6
197.04402	3.2
197.05978	0.4
198.01520	1.6
208.05199	0.4
225.05496	0.4
226.06235	0.9
229.89230	0.2
236.04691	0.6
237.05396	0.3
241.26530	0.3
242.05705	0.7
246.10651	0.2
253.04951	3.5
254.05734	8.7
255.06248	0.4
257.04456	0.6
269.04395	1.5
270.05176	0.9
271.05984	21.9
272.06427	1.2
281.04431	2.1
282.05215	9.5
283.05969	4.5
284.06631	0.3
285.03922	0.9
286.04657	1.1
297.03793	0.6
299.05487	21.7
300.06259	25.1
301.06650	0.9
304.63397	0.2
315.08594	100.0
316.08905	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	315.0859
Annotation	Gnaphaliin
Peak:m/z	Relative Intensity
58.55261	0.3
60.01033	0.3
62.25546	0.4
63.50582	0.3
68.99798	1.7
69.03419	1.0
69.56356	1.5
71.72385	0.4
73.08404	0.3
73.68118	0.4
81.03403	0.5
97.02905	2.3
109.02865	1.7
115.03920	0.5
119.04971	0.6
120.05759	0.6
121.02833	1.1
124.01604	0.6
131.04929	0.6
136.01556	2.9
137.02286	1.0
139.00249	0.8
143.13577	0.3
145.02939	0.4
151.00255	0.5
152.00995	1.8
153.01875	0.6
155.03282	0.4
164.01135	0.4
165.01837	3.2
169.01250	0.4
179.03412	0.8
180.00629	0.4
182.02130	0.7
183.02940	1.0
185.00847	0.7
193.01315	0.9
198.01566	1.1
198.18517	1.2
199.74474	0.3
211.02359	26.1
212.02672	0.4
219.94432	0.4
236.04857	0.4
242.05701	1.1
242.99803	0.4
253.04877	0.7
254.05710	6.3
255.06477	0.8
257.04578	1.2
269.04312	0.5
270.05206	2.6
271.05988	33.0
272.06430	1.4
273.07800	0.4
281.04330	0.6
282.05246	2.7
283.06000	7.4
283.09161	0.6
285.03799	0.6
286.04706	1.5
294.41544	0.4
297.03970	1.6
299.05487	35.9
300.06238	26.3
301.06604	1.5
315.08600	100.0
316.08994	6.0
324.31891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0866
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
54.65310	0.3
68.99784	2.5
69.03406	0.4
69.96362	0.5
72.04480	0.4
72.08115	0.8
91.05473	1.7
107.31700	0.3
116.73288	0.3
119.04944	2.8
120.05207	0.3
121.02863	1.9
125.80457	0.3
131.04890	1.0
136.01471	0.4
138.99168	0.5
139.00249	9.7
151.03905	0.8
152.04301	0.4
153.01802	1.9
154.02165	1.1
159.41325	0.3
160.97514	0.3
166.99829	1.6
167.02122	3.0
169.01305	0.5
180.02829	0.4
181.01251	0.4
182.01935	0.3
185.00801	2.8
185.03218	1.2
187.03932	0.5
194.04532	1.8
195.08022	0.4
197.04402	1.0
197.20187	0.6
200.02719	0.5
205.04901	0.4
211.02292	0.5
212.05518	0.3
223.07425	0.5
239.03490	0.5
253.04936	0.3
254.05650	0.8
255.10043	0.5
257.04434	33.0
258.04807	0.9
263.75009	0.3
271.06039	1.8
271.08023	1.5
272.06256	1.4
282.05283	0.6
283.06158	0.3
283.09622	1.1
285.03915	90.2
286.04260	4.4
299.05515	2.2
300.06143	19.2
301.06519	1.0
315.08594	100.0
316.08878	4.8
316.11917	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0858
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
57.68130	0.1
68.99779	0.4
70.29176	0.4
72.08131	0.3
80.02636	0.2
83.01331	0.2
91.05472	2.1
96.02074	0.5
100.70994	0.1
106.00605	0.2
107.01315	0.2
107.04926	0.3
108.02077	1.2
111.23649	0.1
118.03345	0.2
118.04156	3.9
119.04956	1.7
120.05730	0.3
121.02869	1.2
124.01573	1.0
136.01558	3.4
137.02271	0.3
139.00224	0.6
145.02884	0.2
151.00232	0.3
151.99785	0.2
152.01028	3.4
153.01823	3.5
153.03058	0.2
154.02596	1.8
156.53688	0.2
164.00990	0.2
165.01816	0.8
166.99789	0.4
169.01299	0.3
169.06476	0.2
170.02081	1.0
170.03329	0.2
170.07237	0.3
171.04312	0.2
180.00533	0.3
180.05727	0.2
180.17427	0.2
181.01303	2.0
181.06375	0.3
182.02077	1.8
185.00876	0.2
197.04448	3.2
197.06027	0.4
198.01578	1.2
198.06743	0.4
200.03076	0.2
207.02907	0.1
208.05229	0.3
225.05472	0.5
226.06233	1.0
236.04724	0.4
237.05502	0.4
239.03334	0.2
242.05692	0.7
253.04939	4.1
253.07434	0.3
254.05714	8.9
255.06221	0.7
257.04391	1.0
264.04111	0.3
265.04904	0.2
269.04373	1.5
270.05173	1.0
271.05988	21.6
272.06384	1.1
281.04416	1.9
282.05200	9.5
283.05988	4.4
284.06601	0.5
285.03989	1.0
286.04709	1.2
297.03928	0.5
299.05481	21.3
300.06250	23.7
301.06558	1.1
315.08594	100.0
316.08939	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	315.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50872	0.3
68.99794	0.8
69.23921	1.2
69.24323	0.4
70.06590	1.9
72.08152	1.6
76.07641	0.3
81.03402	0.3
84.08133	0.4
84.49325	0.2
91.05468	0.7
91.83189	0.2
92.99760	0.4
96.02122	0.4
97.02884	0.3
98.23404	0.6
99.17385	0.3
100.07595	0.3
101.20860	0.3
103.05475	0.6
105.03407	0.5
107.04948	1.4
108.02098	0.8
110.09663	0.3
112.51618	0.3
118.04151	1.1
119.04959	1.3
120.05716	2.2
121.02866	1.3
124.01566	1.0
129.03369	0.3
131.04930	2.5
136.01572	1.8
137.02411	0.4
139.00241	0.9
141.68353	0.2
143.99240	0.3
147.04375	0.7
151.00278	0.7
151.03894	0.6
152.01038	1.8
153.01816	1.9
154.02585	1.0
161.06046	0.3
165.01837	0.9
165.07027	0.3
166.99808	0.4
168.00514	0.3
169.01314	4.3
170.02049	0.5
178.02646	0.3
179.03435	0.5
180.17424	1.6
181.01300	1.6
181.17760	0.5
182.02072	0.5
185.00650	0.3
194.04506	0.2
195.08000	0.3
197.04396	0.5
197.05980	0.4
197.20055	0.6
198.01518	1.7
199.02284	0.3
211.02361	1.2
223.07509	0.8
226.06212	0.4
231.16420	0.3
239.03444	1.5
242.05777	0.7
253.04913	1.0
254.05730	6.5
255.06375	1.2
255.10185	0.7
257.04291	2.2
265.04868	0.5
269.04764	0.5
269.07922	0.5
270.05231	2.9
271.05997	28.5
272.06369	1.6
281.04550	1.4
282.05212	4.3
283.05997	5.8
283.09549	1.2
284.06241	0.5
285.03955	3.1
286.04736	2.2
287.05545	0.6
297.03928	1.5
297.07022	0.3
298.04440	0.4
299.05490	30.1
300.06247	25.4
301.03394	2.1
301.06656	1.0
314.27914	0.5
315.08597	100.0
316.05649	0.9
316.08960	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	315.0862
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.02374	0.1
52.03144	0.2
55.01857	0.2
58.18417	0.1
67.01842	0.1
68.02637	0.2
68.99785	0.2
69.09712	0.5
69.10113	0.2
80.02608	0.2
83.01320	0.2
91.04949	0.1
91.05473	2.1
96.02116	0.6
102.23859	0.1
105.03371	0.1
107.01281	0.1
107.04911	0.3
108.02086	1.3
109.02885	0.1
115.39050	0.1
118.04150	4.1
118.50263	0.1
119.04965	1.6
120.05718	0.5
121.02861	1.2
123.00736	0.1
124.01555	1.2
126.03088	0.1
131.04877	0.2
133.99959	0.2
136.01546	3.7
136.02586	0.2
137.02278	0.3
138.03137	0.1
139.00243	0.7
141.06979	0.1
142.29791	0.1
144.05624	0.1
145.02858	0.1
147.04361	0.2
151.00282	0.5
151.03810	0.2
152.01041	3.6
152.06148	0.1
153.01817	4.2
153.06953	0.1
154.02599	2.1
155.04884	0.1
164.01012	0.2
165.01834	0.9
166.02650	0.1
166.99736	0.3
168.00513	0.2
169.01328	0.2
169.06499	0.4
169.07722	0.1
170.01004	0.1
170.02121	1.0
170.07205	0.2
171.04456	0.1
179.03276	0.1
180.00577	0.4
180.05629	0.2
181.01302	2.3
181.02908	0.1
181.06427	0.2
182.02084	2.0
184.05060	0.1
185.00708	0.1
197.04427	3.6
197.06007	0.5
198.01567	1.2
198.06721	0.2
199.02058	0.1
200.03088	0.2
207.02895	0.1
208.03334	0.1
208.05174	0.3
211.02309	0.3
212.04788	0.1
225.05528	0.5
226.06238	1.1
236.04649	0.6
237.05496	0.4
240.04251	0.1
241.04863	0.1
242.05737	0.8
243.06499	0.3
252.04231	0.3
253.02217	0.2
253.04941	4.2
254.05710	9.6
255.06207	0.7
257.04425	1.4
264.04062	0.3
265.05020	0.3
269.04453	1.7
270.05176	1.2
271.05984	24.0
272.06351	1.2
281.04431	2.4
282.05206	10.1
283.05972	5.4
284.06467	0.4
285.03891	1.3
286.04651	1.2
297.03995	0.7
299.05481	23.6
300.06241	25.9
301.06586	1.3
315.08588	100.0
316.08948	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	315.0859
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
65.03941	0.2
68.02654	0.3
68.99755	0.3
69.17126	1.2
80.02624	0.3
87.80804	0.2
91.05480	1.9
96.02086	0.4
107.04956	0.2
107.41958	0.2
108.02093	0.9
118.04163	3.2
119.04958	2.0
120.05749	0.4
121.02862	0.8
124.01577	1.1
131.04942	0.2
136.01540	2.9
137.02412	0.3
139.00259	1.0
151.00208	0.3
152.01038	2.7
153.01817	4.0
154.02608	2.1
164.01047	0.4
165.01801	0.5
166.99835	0.3
168.00455	0.2
169.01346	1.3
169.06531	0.2
170.02094	0.7
180.00552	0.3
181.01312	1.9
181.06520	0.3
182.02132	1.8
197.04437	2.7
197.06062	0.2
198.01550	1.2
198.06900	0.3
208.05132	0.3
225.05548	0.6
226.06212	0.7
236.04616	0.6
237.05534	0.5
242.05782	0.3
252.04224	0.3
253.04961	3.6
254.05724	7.3
255.06390	0.4
257.04462	0.9
268.91803	0.2
269.04367	1.2
270.05142	1.2
271.05997	18.5
272.06400	0.8
281.04477	1.7
282.05215	8.0
283.05969	4.3
284.06329	0.2
285.03931	0.8
286.04520	1.1
297.03912	0.7
299.05490	19.9
300.06262	21.0
301.06577	0.8
315.08600	100.0
316.08948	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
57.32695	0.4
71.18916	0.8
89.59830	0.4
98.97538	0.5
112.01556	0.8
132.05684	0.8
133.06448	2.3
134.07274	0.8
135.04404	1.9
139.00269	0.6
140.01024	1.6
161.06053	1.1
168.00533	6.2
174.06747	1.9
186.01573	3.2
198.06761	0.9
201.05368	0.9
209.05948	5.4
213.05368	0.6
226.06416	0.5
229.04961	1.1
248.06847	0.8
254.05664	1.5
257.04437	5.8
271.05994	2.0
272.06729	1.4
282.05200	0.7
283.09644	1.3
285.04050	2.2
299.05527	1.8
300.06271	89.4
301.06610	4.5
315.08603	100.0
316.08994	6.0
331.50726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
57.47957	0.5
61.28109	0.5
63.39843	0.6
69.84113	1.3
72.08157	1.3
72.44941	0.5
91.05486	2.2
108.02100	2.1
111.10519	0.6
118.04132	3.8
119.04945	1.6
120.05669	0.6
121.02843	0.8
124.01566	1.0
131.04886	0.8
136.01573	3.4
139.00220	0.7
151.00314	0.6
151.03873	0.9
152.01035	2.8
153.01840	4.1
154.02612	1.1
170.02002	0.7
180.17467	0.8
181.01328	2.9
182.02068	1.6
197.04414	2.6
197.20212	1.0
198.01561	1.4
226.06215	1.1
242.05894	0.8
253.04860	3.5
254.05721	7.5
255.06151	0.6
257.04471	0.8
269.04407	1.3
270.05203	0.7
271.06009	20.7
272.06363	0.8
281.04468	1.7
282.05209	9.1
283.06018	3.9
285.03961	1.4
286.04715	1.5
299.05493	20.6
300.06256	22.5
301.06689	1.2
315.08603	100.0
316.08887	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	315.086
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01863	0.2
65.03912	0.2
66.79848	0.2
66.91640	0.2
68.02644	0.2
68.99783	0.4
69.63354	0.6
80.02587	0.2
83.01272	0.3
91.05476	2.9
96.02077	0.8
98.23405	0.2
107.04922	0.2
108.02073	1.5
118.03347	0.3
118.04153	4.7
119.04933	2.3
120.05727	0.4
121.02869	1.3
123.00742	0.2
124.01559	1.3
125.02363	0.2
133.99948	0.2
136.01541	4.7
137.02266	0.6
139.00220	0.6
145.02827	0.3
151.00235	0.6
151.03795	0.4
152.01027	3.9
153.01819	6.3
153.03050	0.4
154.02611	2.5
164.01013	0.5
165.01855	0.8
166.99760	0.4
169.01297	2.5
169.06476	0.3
170.02109	1.2
170.07280	0.2
171.04517	0.2
178.99582	0.2
180.00548	0.4
180.05612	0.2
181.01277	2.5
181.06389	0.2
182.02095	2.2
197.04410	3.3
197.06000	0.5
198.01570	1.7
198.04677	0.2
198.06641	0.3
207.02951	0.2
208.05113	0.3
224.04553	0.3
225.05452	0.5
226.06190	1.2
229.04770	0.3
236.04633	0.7
237.05470	0.5
242.05804	0.9
243.06438	0.3
252.04036	0.3
253.04950	5.0
253.07445	0.3
254.05713	10.0
255.06271	0.7
257.04367	1.3
264.04205	0.3
265.04953	0.3
269.04370	1.4
270.05240	1.2
271.05981	23.3
272.06281	0.8
281.04440	2.5
282.05197	8.7
283.05954	5.7
284.06281	0.2
285.03949	0.8
286.04663	1.4
297.03909	0.7
299.05472	23.4
300.06247	20.5
301.06561	1.1
315.08588	100.0
316.08923	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	315.0862
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.00323	0.3
55.01867	0.4
56.02670	0.3
59.25509	0.3
68.99778	1.3
69.63004	0.9
71.01362	0.6
84.02127	0.6
84.73537	0.3
85.02891	1.1
89.69224	0.3
94.23904	0.3
95.01328	0.9
98.22788	0.6
112.01597	1.6
113.02342	0.9
118.04145	1.4
122.00105	0.3
123.00800	2.0
124.01572	0.3
127.00304	0.4
131.04927	2.1
132.05731	0.7
133.06471	1.5
135.04417	0.5
139.00215	0.4
140.01010	1.6
141.01807	0.5
151.00200	0.3
153.01808	0.5
154.02620	0.6
168.00519	4.5
169.01317	100.0
170.01657	1.5
181.01283	0.6
186.01559	1.7
253.04976	1.4
254.05725	0.5
257.04556	0.4
271.06021	2.7
272.06793	0.3
281.04541	0.3
282.05225	2.3
299.05469	1.4
300.06277	15.4
301.06577	0.6
315.08609	78.1
316.08960	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	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.40147	0.3
54.31597	0.3
55.01884	0.4
68.99788	0.4
69.94206	1.0
70.92822	0.3
72.08156	1.0
76.07626	0.4
91.05466	2.0
96.02090	0.6
108.02091	1.6
118.04153	3.3
118.11727	0.3
119.04931	2.1
121.02840	2.1
124.01550	0.8
131.04961	0.6
136.01544	4.5
137.02264	0.3
139.00269	1.2
151.00232	0.6
152.01050	3.1
153.01842	3.9
154.02609	2.6
164.00989	0.8
165.01790	0.8
166.99771	0.6
169.01370	0.4
169.06471	0.4
170.02095	0.8
180.00497	0.4
180.17453	0.8
181.01320	2.0
182.02100	3.0
192.64784	0.3
197.04443	3.3
197.20088	0.8
198.01595	0.8
200.03114	0.8
208.05173	0.5
226.06190	1.3
237.05557	0.4
242.05833	0.6
253.04971	4.0
254.05746	10.2
255.06401	0.8
257.04440	2.1
269.04541	1.7
270.05185	1.3
271.05994	20.8
272.06433	1.0
279.76212	0.3
281.04462	1.8
282.05212	8.5
283.05988	5.3
285.03961	4.4
286.04694	1.2
295.17410	0.3
297.03964	1.0
299.05493	19.8
300.06271	31.2
301.06528	1.8
315.08603	100.0
316.08969	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	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
50.59616	0.3
68.99770	0.7
69.86639	1.1
70.06599	0.3
72.08153	1.8
79.05500	0.4
83.01331	0.3
91.05491	2.5
91.62963	0.3
95.04931	0.4
96.02091	0.8
99.58685	0.3
107.04931	1.6
108.02103	1.1
110.09606	0.3
118.04149	4.9
119.04937	2.0
120.05709	0.7
121.02895	0.8
124.01573	1.6
131.04945	0.8
135.04361	0.5
136.01556	4.2
137.02299	0.5
139.00252	0.9
151.00191	0.6
151.03824	0.5
152.01036	3.3
153.01814	5.4
154.02605	2.3
165.01869	1.0
166.99768	0.6
169.01326	0.7
170.02110	1.1
171.04356	0.4
180.00386	0.6
180.17473	1.5
181.01297	3.7
181.06490	0.4
182.02081	2.1
194.02098	0.3
197.02953	0.4
197.04430	2.4
197.06004	0.7
197.20107	1.1
198.01576	1.5
200.03142	0.3
225.05472	0.7
226.06226	0.8
236.04698	0.4
242.05696	1.1
253.04950	5.2
254.05711	9.1
255.06230	0.7
257.04477	1.0
269.04443	1.5
270.05139	1.9
271.05991	23.3
272.06366	0.9
281.04382	2.1
282.05212	8.6
283.05978	5.0
285.03906	1.2
286.04709	1.1
287.05646	0.5
297.03790	1.0
299.05478	25.8
300.06253	23.2
301.06680	1.1
314.27972	0.4
315.05154	6.2
315.08575	100.0
316.05615	1.6
316.08917	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	315.0859
Annotation	Gnaphaliin
Peak:m/z	Relative Intensity
51.50872	0.3
68.99794	0.8
69.23921	1.2
69.24323	0.4
70.06590	1.9
72.08152	1.6
76.07641	0.3
81.03402	0.3
84.08133	0.4
84.49325	0.2
91.05468	0.7
91.83189	0.2
92.99760	0.4
96.02122	0.4
97.02884	0.3
98.23404	0.6
99.17385	0.3
100.07595	0.3
101.20860	0.3
103.05475	0.6
105.03407	0.5
107.04948	1.4
108.02098	0.8
110.09663	0.3
112.51618	0.3
118.04151	1.1
119.04959	1.3
120.05716	2.2
121.02866	1.3
124.01566	1.0
129.03369	0.3
131.04930	2.5
136.01572	1.8
137.02411	0.4
139.00241	0.9
141.68353	0.2
143.99240	0.3
147.04375	0.7
151.00278	0.7
151.03894	0.6
152.01038	1.8
153.01816	1.9
154.02585	1.0
161.06046	0.3
165.01837	0.9
165.07027	0.3
166.99808	0.4
168.00514	0.3
169.01314	4.3
170.02049	0.5
178.02646	0.3
179.03435	0.5
180.17424	1.6
181.01300	1.6
181.17760	0.5
182.02072	0.5
185.00650	0.3
194.04506	0.2
195.08000	0.3
197.04396	0.5
197.05980	0.4
197.20055	0.6
198.01518	1.7
199.02284	0.3
211.02361	1.2
223.07509	0.8
226.06212	0.4
231.16420	0.3
239.03444	1.5
242.05777	0.7
253.04913	1.0
254.05730	6.5
255.06375	1.2
255.10185	0.7
257.04291	2.2
265.04868	0.5
269.04764	0.5
269.07922	0.5
270.05231	2.9
271.05997	28.5
272.06369	1.6
281.04550	1.4
282.05212	4.3
283.05997	5.8
283.09549	1.2
284.06241	0.5
285.03955	3.1
286.04736	2.2
287.05545	0.6
297.03928	1.5
297.07022	0.3
298.04440	0.4
299.05490	30.1
300.06247	25.4
301.03394	2.1
301.06656	1.0
314.27914	0.5
315.08597	100.0
316.05649	0.9
316.08960	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	315.0861
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
69.40209	1.0
75.37357	0.2
79.50948	0.2
80.02616	0.4
91.05458	0.4
93.35527	0.2
98.03687	0.2
104.31995	0.2
106.76238	0.2
108.02087	10.6
110.10318	0.2
118.04161	1.2
119.04935	6.1
121.02849	4.8
131.51700	0.2
133.33943	0.2
134.35519	0.2
136.01541	8.6
136.02577	0.5
151.03900	0.2
152.01025	0.5
153.01793	0.3
153.41231	0.2
154.02602	6.1
165.01842	1.4
169.06462	1.6
170.02023	0.3
170.07234	1.5
180.05663	0.3
181.06508	0.7
197.04384	0.3
197.05956	2.0
198.06627	0.8
208.05099	0.4
225.05455	0.3
226.06229	6.2
227.06563	0.3
252.04179	0.3
253.04843	0.4
254.05717	43.7
255.06027	2.3
257.04419	1.0
270.05237	1.1
271.05984	2.8
282.05197	39.3
283.05606	2.4
285.03995	0.6
297.07822	0.2
299.05487	2.9
300.06247	13.1
301.06583	0.8
305.07718	0.2
315.08588	100.0
316.08939	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	315.0861
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.59043	0.2
55.05516	0.3
55.87584	0.2
56.20791	0.2
60.04538	0.2
61.07559	0.2
65.92471	0.2
67.05508	0.2
68.99791	0.3
71.43246	0.3
76.45370	0.2
79.05500	0.2
81.07092	0.3
84.02125	0.3
95.08624	0.5
98.97605	0.2
99.00836	0.3
105.07045	0.2
107.04970	0.5
109.10206	0.3
112.01608	0.9
119.04916	0.3
120.05718	0.7
123.00838	0.7
127.00272	0.4
132.05710	0.4
133.06487	2.0
135.04410	2.6
135.05367	0.3
136.01572	0.4
140.01024	1.4
152.01016	0.3
153.01788	0.3
153.77727	0.2
160.43401	0.2
163.07515	0.4
168.00533	10.0
177.09102	0.4
183.02943	0.6
185.09584	0.2
186.01590	4.1
189.09079	0.6
198.01660	0.3
207.10172	0.6
226.06238	0.4
229.04877	1.0
254.05743	1.0
257.04391	1.7
269.04541	0.2
270.05185	0.4
271.05997	7.4
271.08920	0.4
272.06757	8.7
273.07037	0.4
281.04538	0.3
282.05151	0.5
283.06036	1.8
283.09058	0.3
285.03897	0.7
286.04874	0.5
297.18393	0.6
299.05481	7.4
300.06253	35.5
301.06665	1.4
315.08588	100.0
315.18936	2.3
316.08957	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.19936	0.2
68.99757	0.3
69.89935	0.5
69.90275	0.4
71.29152	0.2
76.69617	0.2
84.02087	0.4
93.06980	0.3
96.17528	0.2
98.23333	0.4
99.00791	0.4
105.07006	0.2
112.01556	0.7
119.04871	0.2
121.02847	0.3
127.00220	0.3
127.01651	0.2
132.05716	0.5
133.06445	1.6
134.07222	1.0
135.04454	1.7
137.02318	0.2
139.00185	0.3
140.01021	1.3
145.06506	0.2
153.01857	0.2
153.85342	0.3
161.05957	0.6
166.50858	0.2
168.00534	5.6
174.06737	1.1
181.06487	0.4
182.07249	0.7
183.02905	1.4
183.04314	0.4
185.05975	0.3
186.01569	2.9
198.06700	0.7
201.05531	0.5
201.09007	0.5
209.05959	3.9
226.06226	0.3
229.04913	1.8
243.06403	0.3
248.06693	0.5
254.05698	1.2
257.04425	4.4
271.05994	1.7
272.06778	5.8
282.05243	0.9
283.05945	0.3
285.03989	1.5
286.82687	0.3
287.08154	0.2
299.05508	2.1
300.06262	70.2
301.06577	3.2
314.04193	0.3
315.08594	100.0
316.08963	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	315.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	6.9
63.98687	1.9
68.90573	1.9
69.07059	3.7
70.06598	8.5
70.14732	5.4
82.99868	2.2
83.83541	2.1
84.04512	7.5
86.09702	29.7
97.01366	2.3
98.22785	2.6
98.97575	5.4
99.00079	2.0
101.00854	10.5
115.02454	3.0
116.98614	2.3
118.03465	4.9
119.01916	38.4
130.03542	3.3
131.01833	2.4
133.03499	3.9
137.02989	9.3
139.02446	3.1
142.01822	2.8
142.03517	11.6
157.03473	20.6
158.99757	4.3
159.99982	2.3
160.04547	38.7
169.01352	5.2
170.06044	5.4
171.04384	4.9
171.10899	2.8
172.04465	9.7
172.08157	2.5
173.07884	4.8
175.04582	6.4
177.00900	15.7
178.01039	30.2
179.00696	10.9
184.04556	59.6
185.02966	10.4
185.04572	4.1
186.09744	27.0
188.07024	3.7
189.05484	7.2
190.05630	3.8
197.04538	2.5
197.06349	2.3
202.01103	7.7
202.03743	4.2
202.05592	70.8
202.07437	4.0
203.00734	3.2
203.02501	5.4
203.05812	5.5
204.02625	26.1
204.10764	7.1
205.02356	7.7
209.11346	3.1
213.06592	4.2
214.09227	30.9
215.07698	2.7
215.09846	8.0
219.02010	27.5
219.03830	3.1
220.02100	100.0
221.01759	36.3
227.12383	8.5
231.07657	13.0
232.08089	4.9
232.10269	86.2
233.10538	6.6
237.10875	6.2
248.01727	4.3
249.08670	5.2
254.64415	2.4
255.06348	3.6
255.11862	25.0
269.08881	4.8
271.06006	5.9
273.12933	46.3
274.13306	4.0
282.05127	3.4
285.08487	8.0
286.08154	3.6
297.08405	10.5
299.05530	6.2
300.06357	7.7
315.09143	76.2
316.09137	18.5
333.10522	85.0
334.10181	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
67.05524	1.6
68.99804	3.4
69.03427	31.7
70.03736	2.8
79.05511	1.4
81.03413	2.2
85.02908	15.8
91.05489	3.7
93.07060	3.5
95.01339	2.3
96.04494	100.0
97.02880	12.4
100.07620	1.6
103.05458	15.2
105.07030	6.6
109.02879	1.9
121.06477	4.2
123.00716	2.6
125.02374	4.0
127.03971	1.7
129.06992	2.2
131.04929	35.5
132.05302	2.0
133.06526	2.4
136.07533	1.8
137.02292	1.9
145.04935	2.2
149.02350	1.7
149.05881	2.0
150.06818	1.5
151.07545	2.8
154.08632	48.7
157.06471	3.4
161.06085	1.8
163.07510	7.6
165.01810	7.3
165.09146	5.8
175.07581	3.8
179.07034	4.7
181.08640	8.2
183.02919	4.0
185.04478	1.7
185.06049	2.3
187.03932	3.1
193.01425	3.1
193.08623	9.5
199.11823	2.0
205.08795	1.9
211.02342	8.7
223.07619	1.8
229.03514	2.8
235.09654	2.5
251.07085	3.4
261.11301	4.1
269.08060	2.7
271.06104	2.6
279.06696	1.6
297.07605	4.5
299.05435	2.2
303.86337	1.5
315.08679	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	315.1955
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
53.03952	1.1
55.01870	0.9
55.05518	3.7
57.07068	2.0
58.06601	0.8
62.06100	0.8
65.03951	0.9
67.05508	10.2
69.03427	3.5
69.07073	3.8
70.46599	0.6
71.04657	0.6
71.05001	3.2
71.08595	0.7
79.05497	4.0
81.03399	0.7
81.07049	6.1
83.04973	4.2
83.08605	1.4
85.06560	0.8
85.10178	0.7
87.17068	0.5
91.05482	5.5
93.07037	7.4
95.04968	3.8
95.08607	6.7
97.02896	11.7
97.06519	2.1
102.09158	0.6
105.07018	9.6
107.04940	0.7
107.08581	6.6
109.06521	2.3
109.10107	3.4
110.88353	0.5
111.04432	6.5
111.08054	1.1
113.06002	1.5
115.03912	0.5
117.07007	1.9
119.08570	12.6
119.36448	0.6
120.08855	0.6
121.06498	1.8
121.10147	5.3
123.04430	1.1
123.08154	1.0
123.11729	0.8
125.05991	0.7
128.06175	1.5
129.06999	3.0
130.07800	0.7
131.08574	5.0
133.06508	1.8
133.10114	6.4
134.10458	0.7
135.04439	0.6
135.08032	2.1
135.11690	1.4
137.09660	0.6
139.07526	1.6
141.05446	2.5
141.06938	0.6
142.07755	3.6
143.08556	6.7
144.09306	1.2
145.10144	7.3
146.10736	0.7
147.08034	1.2
147.11671	7.9
147.13405	0.6
149.09615	1.4
149.13261	0.8
151.07574	1.8
153.06975	0.8
155.07053	1.5
155.08580	2.9
156.09315	6.7
157.10121	13.5
158.10875	1.7
159.11693	10.2
160.12398	0.5
161.09610	2.4
161.13226	2.3
163.07475	0.7
163.11166	0.9
165.06952	1.2
166.07767	1.3
167.07164	0.7
167.08600	2.2
169.10094	4.8
170.10899	5.4
171.11681	17.8
172.12308	0.9
173.09587	1.9
173.13251	7.2
174.13895	0.7
175.11205	3.8
175.14806	5.1
176.11945	0.8
179.08583	1.2
180.09312	2.5
181.08708	0.8
181.10123	3.9
182.10895	1.6
183.11702	3.9
184.12482	5.1
185.09608	1.7
185.13261	11.7
186.14056	3.3
187.11160	1.8
187.14787	2.7
188.11963	0.9
189.12740	4.7
190.13174	0.8
193.10144	2.1
194.10944	1.2
195.10107	1.3
195.11679	9.0
196.12439	1.2
197.13277	5.9
198.13971	1.4
199.11182	2.7
199.14818	13.2
200.15504	1.1
201.09009	0.7
201.12784	1.0
201.16380	2.6
203.10814	0.6
203.14293	5.5
204.15100	5.4
205.15822	4.2
207.10007	0.6
207.11691	3.4
208.12503	3.0
209.13274	6.8
211.14864	2.1
213.12756	1.6
213.16399	2.8
215.10774	1.1
217.15865	1.3
220.12354	0.6
221.13426	0.8
222.14021	4.7
223.14761	4.0
225.12750	0.8
227.10699	1.4
227.14314	0.9
227.18036	2.0
233.11816	0.6
235.14867	2.4
237.16377	11.9
238.16794	0.8
241.12299	2.0
241.19519	1.1
251.17969	2.4
253.19412	0.6
255.13864	0.8
255.17419	3.3
259.13278	1.3
268.14423	0.8
269.18997	2.6
271.20535	1.1
279.17389	1.6
282.16061	1.2
287.16418	0.8
287.19934	1.5
297.18460	8.5
300.06299	3.0
300.17233	0.8
314.34229	2.8
315.08902	2.7
315.19531	100.0
315.34320	6.9
316.19894	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	315.1954
Annotation	DACP analog of retinoic acid
Peak:m/z	Relative Intensity
50.69168	1.2
53.03938	2.3
55.01863	1.9
55.05509	9.4
57.03424	2.3
60.04523	6.8
64.25512	1.1
65.03937	1.3
67.05499	14.2
69.03426	31.4
69.07066	2.5
69.15088	8.6
71.04983	3.7
79.05487	11.9
81.03413	25.0
81.07051	16.0
83.04977	21.8
83.08588	2.4
85.02901	1.6
85.06548	2.0
91.05484	13.2
93.07047	17.5
95.04970	7.6
95.08602	18.1
97.06525	2.9
98.97517	1.3
103.05469	1.5
105.04509	1.5
105.07024	19.4
107.04933	2.3
107.08592	16.0
109.06505	3.8
109.10155	4.9
111.04442	36.2
111.08075	2.3
113.06008	2.8
117.07006	6.9
119.08580	19.3
121.06501	8.4
121.10154	16.8
123.08036	3.4
128.06200	2.8
129.06996	7.2
130.07774	1.4
131.08542	14.0
133.06453	2.8
133.10139	16.4
135.08063	5.7
135.11693	5.3
139.93324	1.3
141.06967	3.9
142.07794	4.1
143.08534	13.9
144.09303	1.8
145.06537	1.9
145.10100	19.7
147.08083	6.0
147.11687	9.4
149.09619	2.9
149.13188	2.1
153.07014	1.4
154.07721	1.9
155.08582	6.1
156.09366	2.2
157.10124	14.6
158.10898	1.5
159.08040	3.6
159.11705	16.5
161.09593	4.7
161.13260	4.7
163.11168	2.3
165.07072	3.4
165.09117	1.8
166.07867	1.3
167.08575	4.6
168.09361	1.8
169.10091	12.6
170.10677	1.9
171.08081	2.6
171.11655	11.0
173.09598	6.4
173.13225	7.5
175.11169	5.0
175.14815	5.6
177.12775	1.9
179.08534	4.2
180.09264	2.1
181.10100	9.4
182.10857	2.6
183.11713	9.0
184.08681	1.1
185.09608	3.4
185.13269	8.0
187.11188	6.9
187.14775	9.2
189.12770	3.5
191.14195	1.3
192.09482	1.8
193.10110	3.9
194.10881	3.0
195.11656	8.1
196.12413	4.0
197.09607	1.8
197.13251	7.5
199.11153	4.0
199.14825	5.3
201.12718	6.4
201.16415	2.6
202.13322	1.9
203.10760	2.6
203.14343	3.6
205.10188	2.4
205.12206	1.7
205.15892	5.2
207.11678	4.4
208.12389	1.3
209.09691	1.6
209.13171	6.8
211.11142	3.0
211.14824	6.6
213.12721	4.3
213.16447	3.0
215.14305	12.1
216.14844	1.5
217.15987	1.8
219.11818	2.0
220.12413	1.7
221.13220	2.6
223.14757	4.8
225.12750	2.5
225.16344	5.7
227.14302	3.9
229.15916	10.4
233.15289	2.3
235.14828	4.5
236.15511	2.0
237.12778	2.9
237.16373	2.6
239.14325	2.2
241.15800	3.3
241.19501	2.2
246.14034	1.5
249.16331	1.8
251.14238	1.6
251.17929	9.3
253.15959	9.7
255.17395	2.2
261.16394	2.4
267.17508	3.0
269.18961	12.6
271.16953	2.4
279.17447	8.2
287.20139	3.9
297.18451	31.5
298.18927	2.3
298.27255	1.5
300.06305	2.4
315.08566	3.4
315.19519	100.0
316.19913	7.1
316.28375	2.1
316.32095	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	315.1954
Annotation	7-Oxodehydroabietic acid
Peak:m/z	Relative Intensity
53.03943	2.5
55.01871	1.4
55.05296	1.0
55.05508	10.9
56.85626	1.1
57.03429	2.0
57.07080	2.0
60.04515	3.0
65.03943	2.4
67.05498	15.4
69.03424	32.6
69.07052	5.5
69.62733	4.2
71.04983	2.1
77.03931	1.2
77.16211	0.9
79.05486	12.9
80.12959	1.0
81.03414	27.7
81.07053	18.0
83.04980	19.1
83.08633	1.5
85.06543	2.0
91.05470	13.0
93.07034	20.1
95.04967	10.2
95.08599	24.6
97.06544	2.1
98.23434	1.3
103.05468	1.8
103.25969	1.3
105.04507	1.2
105.07020	22.8
107.04963	2.1
107.08585	16.6
109.06511	4.7
109.10154	7.4
111.04438	32.3
111.08058	1.8
113.06007	4.7
115.05454	2.6
117.07020	7.5
119.08576	22.4
121.06447	7.7
121.10126	12.6
123.08054	4.2
123.11726	2.1
125.05991	1.4
128.06166	2.2
129.07001	7.1
131.08572	15.3
133.06464	3.4
133.10123	14.7
134.10475	1.6
135.08047	4.9
135.11694	2.9
137.09544	1.8
141.06949	2.9
142.07773	5.7
143.08563	11.9
144.09193	1.7
145.06514	2.5
145.10120	19.3
147.08044	4.9
147.11688	12.2
149.09596	3.3
149.13237	2.1
154.07697	1.9
155.08511	7.3
156.09296	2.3
157.06519	1.5
157.10115	15.1
158.10545	2.3
159.08046	2.6
159.11690	18.3
160.12112	1.7
161.09644	3.9
161.13228	5.9
163.11201	3.2
165.06973	3.1
167.08540	4.7
168.00566	1.6
168.09328	2.0
169.10135	8.3
170.10852	3.5
171.08089	1.8
171.11716	9.7
173.09564	3.9
173.13254	8.2
175.11200	3.1
175.14833	4.7
177.16415	3.6
179.08551	3.3
180.09283	2.5
181.10115	8.0
182.10791	2.5
183.11722	10.4
184.12263	1.0
185.09607	2.9
185.13289	7.9
186.10349	1.5
187.11209	6.2
187.14819	16.4
189.12711	1.9
189.16397	2.5
193.10175	2.6
194.10869	2.3
195.11693	10.2
196.12405	2.2
197.13303	8.0
198.13695	1.3
199.11137	3.9
199.14810	4.9
201.12724	3.5
201.16316	1.6
203.10623	1.9
203.14362	5.8
205.10110	2.5
205.15897	9.3
207.11728	3.7
209.13269	6.6
210.13977	1.4
211.14886	5.7
213.12794	2.8
213.16264	2.2
215.10817	1.4
215.14359	9.0
217.12198	1.4
220.12454	1.2
221.13216	2.9
223.11273	1.6
223.14778	3.7
225.12665	1.6
225.16380	3.7
227.10602	1.3
227.14201	3.3
227.17918	1.4
229.15817	5.9
230.16362	1.6
233.13344	1.6
233.15410	3.6
235.14821	4.0
237.12720	2.1
237.16278	1.8
237.68050	1.1
239.14195	1.6
239.17961	2.6
241.15816	1.3
241.19496	3.9
249.16505	1.9
251.14275	1.4
251.17979	10.5
253.15887	6.6
253.18179	1.0
255.17302	1.6
261.16431	2.4
267.17239	2.5
269.18967	11.8
271.16931	3.3
273.14835	4.7
279.17459	10.9
285.18472	3.2
287.19901	3.8
297.18430	42.6
298.18842	2.2
300.06339	8.9
300.09360	1.7
315.08670	12.5
315.19489	100.0
316.19730	6.1
316.28494	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
53.03926	1.1
55.01876	1.4
55.05513	4.3
57.07072	1.8
59.04990	0.8
62.06085	0.6
65.03944	0.8
67.05505	12.3
69.03429	3.4
69.07076	4.5
71.04982	3.3
71.43758	0.8
79.05484	5.0
81.07046	6.6
83.04990	5.2
83.08614	1.1
85.02864	0.9
85.06525	1.0
91.05480	6.8
93.03371	0.6
93.07032	8.1
94.30405	0.6
95.04955	3.6
95.08597	8.4
97.02888	12.6
97.06517	2.1
105.07007	8.6
107.08588	6.5
109.06515	2.9
109.10157	3.5
111.04442	6.6
111.30627	0.7
113.05948	1.2
114.74741	0.6
115.05460	0.7
115.07571	0.8
116.98639	1.1
117.07022	3.0
119.08570	17.2
121.06511	1.9
121.10121	3.6
123.08096	1.2
125.05970	1.3
128.06227	1.8
129.07022	2.4
131.08560	4.7
133.06480	1.3
133.10117	8.7
135.08047	2.4
135.11676	1.3
137.05980	0.8
137.09593	0.9
139.07567	1.7
141.05461	3.0
141.06964	2.1
142.07741	3.9
143.08556	6.4
144.09338	1.5
145.10127	8.8
147.08034	1.8
147.11685	9.8
149.09641	1.3
153.06934	0.9
155.07103	0.9
155.08571	3.3
156.09309	5.8
157.10110	14.4
158.10837	1.8
159.08041	1.0
159.11697	10.5
160.12288	0.7
161.09624	2.6
161.13257	4.1
163.11252	1.2
165.06992	1.4
166.07848	0.6
167.08592	1.8
168.00531	1.2
168.09340	0.8
169.10098	4.8
170.10933	6.3
171.11688	18.9
172.12366	2.1
173.09599	2.0
173.13268	7.7
174.13809	0.6
175.11157	4.3
175.14789	5.3
177.12720	0.8
179.08543	2.2
180.09309	1.9
181.08711	1.1
181.10094	4.8
182.10933	1.7
183.11687	3.9
184.12448	4.6
185.09743	0.7
185.11674	0.5
185.13222	12.9
185.14752	1.2
186.14018	4.8
187.11192	2.1
187.14841	3.7
189.12726	6.8
192.09326	0.8
193.08583	1.1
193.10159	2.9
194.10870	1.5
195.10057	1.5
195.11665	9.3
196.12372	0.9
197.13255	5.4
198.13940	1.7
199.11131	1.9
199.14812	15.6
200.15442	1.0
201.16368	2.0
203.10655	1.5
203.14320	6.9
204.15068	4.7
205.15880	3.7
207.11687	3.9
208.12422	2.6
209.13231	6.9
211.14828	3.5
213.08937	0.8
213.12773	1.6
213.16333	3.8
215.10603	0.7
215.14241	1.0
217.12302	0.9
217.15813	0.9
220.12462	0.7
221.13318	0.9
222.14063	4.4
223.11150	0.7
223.14743	3.4
225.12659	0.7
227.10577	0.7
227.17978	2.3
233.11731	1.0
235.14871	1.9
236.15555	1.1
237.12778	1.0
237.16368	13.0
238.16855	1.3
241.12181	1.8
241.19417	0.9
245.11792	1.7
251.17964	3.2
255.13765	1.1
255.17438	3.3
259.13336	1.9
269.19040	1.8
273.14874	1.0
279.17426	2.9
282.16168	1.2
287.16367	0.7
287.20084	1.2
297.18457	9.7
300.06180	5.3
300.16956	0.9
314.34119	3.4
315.08633	4.0
315.19519	100.0
315.34363	5.9
316.19836	5.7
316.32184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1944
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
50.28128	1.1
55.05505	5.7
57.07072	3.5
58.06604	1.6
65.03943	1.2
67.05493	6.0
69.03416	16.1
69.07050	2.0
69.18024	8.3
71.08627	1.5
75.33091	1.5
75.77660	1.2
79.05481	4.3
81.03411	11.7
81.07050	4.2
83.04976	11.0
91.05464	9.5
93.07018	7.7
95.04946	5.4
95.08598	9.9
97.35111	1.4
103.01649	1.3
105.07020	8.6
107.08592	7.8
109.06530	1.7
109.10134	1.7
111.04444	19.1
113.05936	1.7
117.07008	2.8
119.08572	10.9
121.06476	4.8
121.10139	6.3
125.37035	1.6
128.06256	1.9
129.05492	1.6
129.06995	4.2
131.08539	6.0
133.10121	7.2
135.08026	3.8
141.07014	2.0
142.07744	1.7
143.08545	5.6
144.09341	1.8
145.06471	2.0
145.10127	9.4
147.08012	3.3
147.11664	3.7
149.09608	1.8
149.13275	2.5
155.08488	2.7
157.10092	5.5
159.08003	2.1
159.11731	9.0
161.09692	1.7
161.13284	2.5
167.08537	2.3
167.15337	1.7
169.10114	6.3
171.11668	3.6
173.13223	4.1
177.16356	2.2
179.08455	1.4
181.10092	2.5
183.11658	3.4
185.09674	1.7
185.13283	2.8
187.11169	2.7
187.14774	7.6
195.11696	2.6
197.13249	4.1
199.11203	1.7
199.14682	1.8
201.12724	1.7
203.14340	2.9
205.15872	3.6
209.13234	4.6
209.93953	1.6
211.14807	3.5
213.12596	2.2
213.16325	1.8
215.14267	5.9
215.31708	1.5
221.13168	1.9
223.14877	2.3
225.16403	2.2
229.15802	1.6
235.14714	2.0
251.17937	4.9
253.15813	2.2
255.17467	1.6
267.17453	1.4
269.18924	5.8
273.14896	1.6
279.17352	6.2
297.18448	16.0
300.06274	5.2
314.34131	6.3
315.08453	4.8
315.19363	100.0
315.34427	11.3
316.19702	5.8
316.32047	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	315.1956
Annotation	3-Hydroxy-2-(3-hydroxy-3-methylbutyl)-5-methoxybibenzyl
Peak:m/z	Relative Intensity
51.18103	0.5
55.05501	2.2
57.03438	0.7
57.07058	0.7
58.06588	2.4
60.38795	0.5
60.51711	0.6
66.17005	0.6
67.05495	1.4
68.99786	4.0
69.03407	1.0
69.07059	1.0
71.04971	0.9
79.05486	1.7
81.07050	7.7
83.01329	0.8
83.08601	1.3
91.05482	1.5
93.07031	2.1
95.04975	0.8
95.08593	1.8
97.06524	2.3
97.10144	1.1
98.97543	0.6
99.08067	2.5
102.09161	3.7
103.05465	0.9
105.07026	1.3
107.08602	0.9
108.65555	0.6
109.10159	1.6
111.08089	2.8
115.05426	1.4
116.98609	0.8
117.07029	4.3
119.04924	0.8
119.08599	0.9
121.02874	4.8
123.04395	0.9
125.67537	0.5
128.06197	1.2
129.07004	6.9
131.04921	2.8
131.08562	1.2
132.05684	0.9
133.06451	0.8
140.56876	0.6
141.06981	0.5
142.07793	1.1
143.04884	1.0
143.08546	2.5
145.02852	0.9
145.06493	13.4
147.04414	0.9
147.08125	1.1
149.05945	6.6
151.07495	0.8
157.06487	6.6
157.10086	1.5
159.08073	1.2
159.11656	0.6
161.05980	2.3
162.06705	1.1
163.07530	23.4
164.08003	0.7
164.98174	0.8
165.06932	0.9
165.09085	8.1
166.07709	0.9
167.08580	1.3
169.01344	1.0
169.10114	1.1
171.08034	2.5
171.11673	1.0
173.06010	0.7
173.09607	1.2
174.06750	1.2
174.10512	0.6
175.07518	7.2
177.05522	3.0
177.06755	0.7
177.09100	0.8
179.08521	1.2
181.06425	1.1
181.10092	1.2
183.08054	0.7
183.11626	1.0
185.09645	1.1
185.13164	0.7
187.07481	0.8
187.11171	1.0
189.09097	3.0
191.10661	11.7
192.07779	1.0
192.10915	1.2
195.08049	2.2
195.11691	0.9
197.09605	2.6
199.11142	0.9
201.06018	0.8
201.09065	1.0
203.10635	2.0
205.12225	100.0
206.12535	2.7
207.10144	16.8
208.08698	0.6
209.09621	3.4
211.11090	1.3
213.12709	1.9
215.01817	2.2
215.10675	1.1
217.12224	31.1
218.12564	1.0
219.13718	0.8
225.09222	0.8
227.10652	2.7
227.14282	1.2
229.12143	1.9
231.13733	1.6
233.11726	2.2
235.13217	1.1
237.12711	3.6
239.14261	1.0
241.12326	0.7
243.13757	2.0
245.15253	0.9
253.15797	1.4
254.12944	0.9
255.13820	3.1
257.15329	1.6
269.15256	2.9
271.16919	2.0
273.03879	1.4
273.14923	1.1
279.17407	2.3
283.02356	1.3
287.05405	0.9
287.20093	3.4
291.05112	1.6
297.11417	0.7
297.18500	7.9
300.06223	1.0
315.04901	6.8
315.08282	1.8
315.12228	0.6
315.19476	9.1
315.33716	1.2
316.05545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1957
Annotation	3-Hydroxy-2-(3-hydroxy-3-methylbutyl)-5-methoxybibenzyl
Peak:m/z	Relative Intensity
53.03917	0.5
55.01865	0.6
55.05511	6.7
57.03405	0.5
57.07052	0.4
60.04507	0.9
65.03925	0.5
67.05508	6.4
69.03420	0.6
69.07056	3.1
69.77050	1.1
69.77444	1.1
70.15633	0.5
71.04986	1.2
79.05487	4.9
81.07054	12.5
83.08598	1.7
85.06548	0.7
91.05474	4.8
93.07040	4.8
95.04955	1.3
95.08604	29.7
96.08927	0.7
97.10162	4.0
98.97575	0.8
99.08084	1.1
103.05441	1.1
105.07021	4.6
107.04963	2.2
107.08595	3.1
109.06508	0.5
109.10149	4.2
113.09637	1.4
115.05451	2.0
116.98657	0.7
117.07014	3.7
119.08580	4.0
121.06506	2.0
121.10123	2.7
123.04396	1.2
123.08051	0.7
128.06201	3.8
129.06969	2.7
131.04936	0.9
131.08527	3.1
133.06453	1.1
133.10126	1.8
134.99590	0.6
135.04396	2.9
135.08037	1.4
137.05965	1.4
141.06984	1.6
142.07741	2.2
143.04884	0.7
143.08546	8.1
144.05742	0.9
145.06482	4.9
145.10078	1.2
147.04385	0.7
147.08044	2.1
147.11674	1.7
148.05200	0.9
149.05981	2.9
149.09607	0.6
151.07536	19.0
152.07858	0.5
153.05464	3.7
153.06982	1.4
154.07782	1.5
155.06067	0.6
155.08505	2.6
156.09300	0.9
157.06537	1.1
157.10109	4.2
159.08040	3.9
159.11703	1.5
160.05188	0.9
161.05975	5.7
161.09596	1.3
162.06743	1.3
163.07535	32.6
164.07922	1.2
165.07002	1.9
165.09122	1.1
166.07767	0.7
167.07169	1.1
167.08574	2.5
169.06429	0.5
169.10155	1.8
170.07246	0.8
171.08046	3.8
171.11620	1.7
173.05949	1.7
173.09648	1.3
174.06705	1.1
175.07544	4.5
177.09102	36.1
178.09406	1.7
179.07016	1.4
179.10661	2.2
181.06522	0.9
181.08647	0.8
181.10120	1.7
182.07159	1.2
183.08038	2.5
183.11821	0.6
185.06038	0.9
185.09630	3.5
185.13312	1.1
186.13925	0.5
187.07520	3.4
187.11049	1.1
187.14828	0.6
188.08298	0.7
189.09091	25.4
190.09464	1.1
191.07008	1.1
191.10667	1.6
193.10098	0.6
194.10721	0.6
195.08069	2.8
195.10091	0.6
195.11584	2.4
197.09578	2.6
199.07555	1.5
199.11150	1.7
199.14799	1.1
200.08286	1.7
201.09081	6.4
201.16341	0.7
203.08730	1.0
203.10658	17.6
204.11018	0.9
205.08585	4.2
205.12210	2.2
207.08083	0.8
207.10126	14.1
209.09601	1.9
209.13049	0.9
211.11203	1.1
212.08345	0.9
213.09053	6.0
213.12675	1.1
214.09714	1.2
215.10661	8.4
216.11185	0.8
217.12224	7.9
219.10106	6.1
221.09599	0.4
221.11662	6.8
223.07561	0.8
223.11305	2.3
224.11769	0.5
225.36433	0.5
227.10666	8.6
228.11359	0.8
229.12201	4.0
231.10194	1.0
233.11649	3.4
235.11165	1.0
235.13293	1.4
237.12718	1.6
239.10658	1.2
239.14268	0.9
241.12250	7.7
241.15971	0.9
242.12793	0.9
245.11739	1.2
247.13156	1.0
251.14288	1.7
251.18027	0.5
253.12253	0.8
254.13072	1.9
255.13742	3.8
256.14371	1.3
257.15344	2.1
259.13318	2.4
260.13840	0.7
267.17487	0.6
268.14545	1.0
269.15335	5.2
269.18417	1.0
273.14774	0.7
279.17307	3.0
282.16238	0.9
283.09576	2.7
287.16415	5.8
297.18478	29.4
298.18826	1.6
315.19519	100.0
316.19836	6.5
322.50946	0.5
333.08548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	3.1
61.59263	0.8
61.99155	0.9
64.39842	0.8
68.99796	1.7
69.32458	0.8
69.33072	3.8
70.02926	1.4
72.04501	3.8
75.00062	1.0
77.91902	0.8
83.03692	2.4
83.24719	0.8
84.04499	1.3
89.28976	0.9
98.06081	1.5
103.05472	1.3
110.02413	1.0
111.03170	6.0
113.38940	0.9
126.01859	1.3
130.57127	0.8
131.04892	4.5
138.01848	7.4
138.05461	1.5
139.00331	0.9
139.02626	5.0
140.03435	2.3
148.03835	1.4
150.01855	1.8
152.03419	2.8
152.95810	1.0
166.01337	10.9
166.05040	3.4
167.02121	89.7
168.02892	9.5
184.02419	1.2
185.03172	22.5
188.05806	0.8
194.04472	49.8
195.04781	1.4
212.05533	16.9
225.05492	2.4
229.07230	1.2
242.08228	2.2
256.09653	1.4
258.04837	2.8
270.07596	4.7
271.08353	37.9
272.06412	1.2
272.09067	3.0
286.04251	5.8
298.10745	10.4
300.05878	1.1
301.06348	1.7
316.08942	7.6
316.11816	100.0
317.12152	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	316.1179
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
54.03469	0.8
55.60741	0.3
56.05039	2.2
67.13168	0.3
68.05024	0.3
68.99774	1.2
69.03411	0.5
69.16641	0.9
69.17053	1.3
70.02950	1.1
72.04514	3.0
82.06555	0.5
83.03706	1.9
83.04445	0.3
84.02125	0.4
84.04472	0.5
95.01297	0.4
96.04439	0.4
98.02390	1.0
98.06033	1.1
98.22529	0.3
99.00802	0.5
100.69424	0.3
102.30445	0.3
103.05444	0.8
110.02358	0.7
110.06017	0.7
111.03191	6.2
112.01583	0.6
123.00773	0.4
124.03913	1.3
126.01857	1.1
126.05520	0.4
127.00255	0.5
131.04912	3.5
137.02341	0.4
138.01852	6.4
138.05467	1.8
139.02647	4.4
140.01030	1.3
140.03387	2.3
142.04982	0.4
148.04005	0.5
149.02304	0.4
150.01811	1.3
151.00276	0.7
152.03415	2.2
164.03409	0.4
166.01352	8.5
166.04982	3.1
167.02132	78.4
168.00587	4.2
168.02905	7.7
169.01291	1.8
170.04451	0.9
171.39798	0.3
176.03416	0.4
180.02878	0.6
182.02121	0.5
183.02863	0.6
184.02406	1.3
184.06090	0.5
185.03192	19.3
186.01566	1.5
186.03381	0.5
194.04480	40.6
195.04756	0.7
197.04410	1.4
212.05516	16.3
213.05719	0.5
225.05481	1.9
228.06519	0.5
229.07272	1.1
242.08058	1.7
256.09598	0.5
270.07599	5.4
271.08365	33.0
272.09003	2.6
274.04681	0.5
298.10727	9.8
299.11090	0.5
301.03351	0.4
302.04181	9.1
316.11777	100.0
317.06552	16.3
317.12057	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	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01863	0.8
57.03431	0.8
58.11374	0.3
58.94127	0.3
59.05000	0.6
61.02914	1.6
69.03424	4.7
70.06593	0.3
71.04987	0.7
71.43044	0.3
73.02914	0.5
78.03460	0.6
81.03411	2.1
83.04985	0.4
85.02898	14.1
87.04459	1.2
91.03931	0.8
96.04485	100.0
96.87009	0.3
97.02885	3.6
97.04809	1.4
99.04445	0.8
101.06017	0.5
109.02861	1.1
127.03901	2.9
133.02908	0.3
136.07578	0.6
139.00243	0.4
140.23611	0.3
145.04953	2.6
146.98886	0.3
154.08615	48.9
155.08960	0.8
157.57671	0.3
177.99860	0.3
230.53326	0.3
271.02356	1.6
294.12271	0.3
299.01743	0.7
316.14032	2.2
317.11212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2232
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.05500	0.9
56.96553	0.5
60.04522	3.7
62.18335	0.4
69.03407	0.7
69.07069	5.7
70.06588	10.2
70.12483	0.9
70.12802	0.4
72.08154	17.8
77.11572	0.4
79.05465	0.6
84.04510	1.8
84.08162	2.2
85.02903	0.6
86.09701	100.0
87.04471	0.7
87.05582	2.1
87.10036	1.2
93.05778	0.5
98.22863	0.6
108.08094	1.6
110.06066	0.4
110.07157	0.9
114.09223	0.4
116.07082	22.0
124.07567	1.1
127.01537	2.2
128.10699	1.1
129.10208	0.6
130.06490	2.0
132.08073	0.6
136.07587	0.9
146.06038	1.1
154.04955	1.0
154.08626	4.6
155.06808	2.5
155.09427	0.5
156.07724	0.9
170.06082	0.7
171.14922	5.6
172.09700	1.6
173.12852	11.5
173.14351	0.6
181.08589	0.5
185.04172	2.8
188.07082	1.8
191.01532	0.6
199.14423	3.7
199.18040	23.7
201.00348	0.6
201.12347	2.1
203.05257	0.5
203.13911	7.4
203.15724	0.5
205.09795	0.5
217.15414	0.7
227.17522	8.4
228.17786	0.9
270.12363	0.8
316.17603	4.0
316.22263	0.6
317.02823	1.1
317.12057	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.82188	0.4
50.96367	0.3
52.19379	0.5
55.05510	4.9
56.05033	4.1
57.07083	2.1
58.02949	0.5
59.84038	0.4
60.04522	100.0
61.04848	0.9
67.05499	7.6
68.05030	0.7
69.07063	5.2
69.73566	0.9
69.73933	0.7
70.06573	0.8
71.05000	0.5
71.08614	0.9
72.04519	2.9
74.06076	2.2
79.05488	3.6
80.05009	1.0
81.07054	7.8
82.06573	1.1
83.04965	0.6
83.08617	3.3
86.06052	0.8
86.48096	0.4
87.04437	0.8
90.05553	1.4
91.05471	2.2
91.54805	0.3
93.07053	2.6
94.06544	1.0
95.04993	0.4
95.08598	6.7
96.08145	0.6
97.10181	1.2
98.06015	0.4
98.23409	0.7
100.07608	0.4
105.07033	1.6
107.08610	2.1
108.08080	0.5
109.10129	3.0
112.07610	0.7
113.06224	0.5
113.20789	0.4
119.08594	1.3
121.10133	2.1
121.42148	0.4
123.11712	0.8
133.10124	1.2
135.11705	0.7
137.09650	0.5
147.11615	0.7
235.54112	0.4
240.66319	0.4
250.25276	1.2
252.26982	0.5
254.24373	0.4
262.25290	1.6
268.26312	0.7
280.26321	11.4
281.26740	0.6
287.79752	0.4
295.10739	0.4
298.27380	11.5
299.27811	0.7
316.28430	33.3
317.28824	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.43357	0.3
55.01879	0.3
55.05510	4.6
56.05037	4.0
57.03429	1.0
57.07074	2.7
58.02956	0.4
58.41424	0.2
60.04524	100.0
61.04860	0.6
65.03936	0.4
67.04224	0.3
67.05502	7.5
68.05031	0.4
69.03430	0.4
69.07068	5.1
69.74158	0.8
71.08630	1.1
72.04517	1.8
73.02936	0.5
74.06075	2.6
79.05487	3.9
80.05013	0.6
81.03410	0.5
81.07051	7.1
82.06583	1.1
83.04966	0.6
83.08616	3.7
84.04508	0.3
85.10166	0.5
86.06087	0.8
87.04483	0.6
90.05550	1.4
91.05486	2.6
93.01608	0.3
93.07045	3.3
94.06562	0.8
95.04959	1.0
95.08605	7.2
96.08099	0.7
97.06551	0.5
97.10160	1.3
98.06062	0.8
105.07035	1.3
107.08590	1.8
109.06511	0.4
109.10141	2.9
111.11723	0.4
112.07619	0.5
116.07085	0.4
119.08603	1.3
121.10140	1.7
122.09660	0.4
123.11731	1.2
133.10132	0.7
135.11757	0.6
137.13315	0.5
147.11758	0.5
149.13351	0.3
151.59998	0.2
189.02913	0.3
236.23947	0.3
245.22723	0.6
250.25313	1.3
251.23779	0.3
252.26729	0.3
262.25357	1.6
263.23746	0.6
268.26361	0.9
280.26321	10.9
281.26651	0.4
298.27383	11.5
299.27753	0.6
316.28436	32.3
317.28870	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	316.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05246	0.3
55.05494	1.8
56.05016	1.2
57.03421	1.4
57.07072	6.4
58.06593	19.8
60.04519	31.9
67.05498	2.6
69.07053	2.0
70.06567	1.0
71.04970	0.3
71.08621	2.9
71.43014	0.3
72.04497	0.8
72.08128	1.3
74.06071	0.7
75.04460	0.6
79.05469	1.5
80.04981	0.3
81.07040	2.4
82.06554	0.4
83.08596	1.2
84.08133	10.7
85.10165	1.4
86.06065	0.3
87.04449	1.3
88.07602	1.1
90.05544	0.5
91.05474	1.1
93.07020	1.2
95.04938	0.5
95.08598	2.5
97.10161	0.5
98.98444	0.9
102.09163	7.7
105.07031	0.7
106.08661	1.2
107.08565	0.7
109.10132	1.3
115.30842	0.3
118.08640	0.4
119.08566	0.6
120.10201	10.1
121.10112	0.4
123.11668	0.4
151.14752	0.4
158.91634	0.7
159.43872	0.4
168.00571	0.4
174.88109	0.3
176.60670	0.3
213.21730	0.3
214.25230	0.3
242.28368	3.6
256.26324	1.1
262.25201	0.5
280.26334	4.0
298.27359	3.7
299.27493	0.4
301.06540	1.0
302.04126	1.2
316.08746	1.2
316.28458	11.1
316.32010	100.0
317.06488	1.2
317.17325	1.0
317.28629	0.9
317.32281	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	316.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60985	0.6
55.05494	2.4
56.05020	1.3
57.07074	14.9
58.06589	1.3
60.04521	33.3
67.05491	1.9
69.07057	1.9
70.04075	3.1
70.06584	17.3
71.08623	8.6
71.43428	0.8
74.06072	1.1
79.05468	1.1
80.05006	0.8
81.07034	2.3
83.08593	0.9
84.98609	0.5
85.10179	4.1
86.06071	1.0
87.04465	1.1
88.07622	25.7
91.05490	1.4
93.07055	1.4
95.04919	0.8
95.08596	2.6
97.10146	0.8
105.20222	0.6
105.48949	0.6
106.08658	31.4
113.32217	0.6
119.08573	1.3
121.10156	0.6
123.11655	0.9
123.49734	0.7
133.10088	1.2
141.98413	0.7
221.93005	0.7
280.26404	3.4
281.92227	0.6
298.27243	3.7
316.28506	9.5
316.32034	100.0
317.17316	1.0
317.32404	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	317.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01859	1.0
68.99789	26.2
70.04857	0.5
70.05188	1.1
71.01338	0.6
74.19209	0.5
77.03896	1.6
79.05485	0.5
84.08149	0.5
84.41554	0.5
91.05490	0.6
92.99747	1.7
95.01327	3.3
97.02882	0.5
99.04427	0.5
103.05446	1.4
105.03402	5.1
107.01263	0.5
107.04907	1.5
111.00797	3.1
115.05457	2.2
121.02856	0.6
123.00785	2.2
129.03316	1.0
131.04904	2.8
132.05217	0.5
133.02849	6.2
135.00740	0.8
135.04395	1.1
137.02367	0.7
139.00261	35.1
140.00693	0.6
141.01799	1.3
141.03337	0.4
145.02789	0.7
147.04349	1.2
149.02301	1.1
153.01846	2.3
155.01335	0.5
157.01299	2.2
157.02809	2.7
159.04350	1.6
161.02339	4.2
163.03859	0.6
166.99710	0.5
168.00536	1.9
169.02713	0.6
169.04001	0.7
171.04390	2.6
175.03909	0.7
177.01805	0.8
183.00708	0.8
183.02946	2.2
186.01546	1.4
187.03918	3.6
197.02397	0.8
200.52946	0.6
201.00282	4.2
201.01878	1.0
213.02827	0.9
215.03380	4.4
225.01830	1.8
227.03430	2.2
239.04483	0.7
243.02840	5.7
247.02133	0.6
253.01265	4.7
255.02892	4.3
271.02365	100.0
272.02695	5.0
273.04007	2.5
279.92712	0.5
279.95917	0.6
289.03522	0.6
289.09763	0.7
295.10678	0.5
299.01859	68.6
300.02258	3.1
300.69321	0.4
302.04141	3.9
317.02869	6.6
317.06549	11.3
317.09393	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.029
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
54.95016	0.4
57.03426	0.4
67.01871	0.8
68.99786	23.6
69.03419	1.2
69.14724	2.5
71.01356	0.8
77.03917	1.1
81.03419	0.7
85.02901	1.9
86.03194	0.4
90.59328	0.4
91.05473	0.7
92.99772	1.2
95.01316	3.5
96.03865	0.9
96.04487	17.6
97.02892	1.4
97.04804	3.7
98.23463	0.7
102.10367	0.4
105.03385	3.5
107.01260	0.6
108.74265	0.4
111.00816	2.3
113.03860	0.5
115.05436	1.4
115.41444	0.4
119.04990	0.4
123.00771	3.3
129.03381	1.6
131.04926	2.6
133.02852	5.1
135.00757	0.6
139.00256	29.6
140.00600	0.9
141.01825	1.7
141.03441	0.6
143.04979	0.5
145.02873	0.9
145.64459	0.4
147.04401	0.8
149.02318	0.7
153.01817	1.6
153.02977	0.4
154.08626	7.6
155.08997	2.2
157.01352	1.8
157.02856	3.4
159.04385	1.1
161.02388	2.2
171.04385	2.9
173.02309	1.1
177.01801	0.8
183.00784	1.0
187.03859	3.6
189.01849	0.7
197.02312	0.8
199.03764	0.5
201.01874	0.5
215.03386	4.4
225.01816	1.5
227.03368	1.4
243.02884	3.4
253.01277	3.8
255.02892	4.2
271.02359	100.0
272.02740	4.9
273.03848	2.6
299.01843	58.4
300.02136	2.1
317.02872	5.0
317.06519	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.5
66.04248	0.4
67.01839	0.7
67.32166	0.4
68.99785	24.2
70.82173	0.9
77.03895	1.3
83.03281	0.5
89.03873	0.6
89.77902	0.5
91.05459	0.6
92.99762	1.5
93.07007	0.5
95.01321	4.0
103.05455	0.8
105.03382	3.3
106.94181	0.4
107.01267	0.6
107.04900	0.7
111.00815	2.6
113.03856	0.5
115.05408	1.4
121.02828	0.4
123.00786	2.8
129.03336	1.2
131.04904	2.6
133.02832	4.9
134.03226	0.5
135.00764	0.6
139.00252	27.0
140.00583	0.6
141.01799	1.6
141.03401	0.6
145.02834	0.9
147.04364	1.2
149.02290	0.6
153.01755	1.6
157.01305	1.3
157.02808	3.6
157.06364	0.4
159.04378	1.7
161.02327	3.0
168.00528	1.2
169.02773	0.6
171.04381	3.3
173.02304	1.2
175.03880	0.5
177.01926	1.1
183.00761	0.6
183.02817	1.0
187.03902	4.8
189.04416	0.5
197.02277	0.8
201.00252	2.4
201.01881	0.6
215.03323	4.0
225.01822	1.7
227.03307	1.7
243.02890	4.2
253.01315	4.8
253.08234	0.5
255.02800	4.3
271.02350	100.0
272.02786	2.8
273.03931	2.9
299.01837	64.6
300.02194	3.1
302.04156	1.4
317.02820	6.4
317.06433	4.7
317.09491	1.1
317.14661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
58.95879	0.2
59.96117	0.2
62.96309	0.2
67.05492	0.2
68.99796	1.2
69.79845	0.5
71.01338	0.3
81.07035	0.3
84.02095	0.7
86.09212	0.3
86.09707	4.8
87.10013	0.2
95.08562	0.4
99.00812	1.0
105.07018	0.5
109.10157	0.2
112.01581	2.7
119.08569	0.5
121.10168	0.2
127.00232	1.2
130.06528	0.3
132.08090	0.4
133.10139	0.4
134.03645	0.5
135.04433	1.2
137.02338	4.2
137.03357	0.5
140.01025	4.2
144.08034	0.4
146.05974	0.8
147.04431	0.3
148.05180	0.2
154.71263	0.2
154.99707	0.4
157.13327	0.9
158.13661	0.3
159.09152	0.7
168.00533	22.7
169.01306	2.4
170.05991	0.2
176.04648	0.7
185.12898	0.2
186.01587	10.1
186.13187	0.3
187.02011	0.3
187.03888	0.3
188.07068	1.8
205.09734	1.4
205.50670	0.2
228.04207	0.4
229.04974	0.5
256.03574	0.5
271.05981	0.7
273.03818	0.6
274.04651	1.2
274.22003	0.2
285.03882	0.5
289.03488	0.3
299.10294	0.5
299.20087	0.3
301.03372	1.2
301.15405	0.2
302.04181	92.3
303.04514	4.9
317.06525	100.0
317.21051	0.9
318.06866	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	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05489	0.4
59.61926	0.3
65.14281	0.2
68.99760	0.9
69.03410	0.3
69.59089	0.3
69.98343	1.0
71.30807	0.3
74.31195	0.2
79.05460	0.3
80.02605	0.6
81.06992	0.3
86.88442	0.3
91.05453	0.6
95.04922	0.3
103.05433	1.0
105.07019	0.3
107.04914	0.4
108.02091	2.3
109.10108	0.3
111.00748	0.3
112.01542	0.6
121.02824	0.3
125.02317	0.3
131.04880	1.0
135.04364	1.1
136.01543	11.1
136.05177	0.5
137.02345	1.8
138.01842	0.4
139.00244	1.7
140.01006	0.6
147.04329	1.1
153.01782	1.1
154.02589	9.7
155.03059	0.3
159.08009	0.6
161.05956	0.4
163.03888	0.8
164.01019	4.9
166.99814	0.3
167.02124	1.7
168.00517	3.2
168.02470	1.1
169.01309	0.5
172.05202	0.4
173.05995	0.3
175.11066	0.4
176.04691	0.4
182.02078	19.7
183.02696	0.7
183.04399	0.7
186.01582	0.9
187.03798	0.5
187.07480	1.3
194.04520	0.5
195.04816	0.5
197.04431	100.0
198.04790	2.5
200.03139	9.6
200.04686	0.5
201.05376	0.4
203.10623	3.0
204.11082	0.3
211.03909	2.3
212.97945	0.3
213.05876	0.5
229.05110	0.4
229.12198	1.2
238.06287	0.6
239.14474	0.3
250.04636	0.6
256.03751	0.4
257.18854	0.3
269.04529	0.3
271.02438	0.4
271.05682	0.3
272.08719	1.3
273.03833	0.5
273.06567	0.7
274.04553	0.5
275.09103	1.1
284.03168	0.4
284.06387	0.6
299.09128	1.2
301.03421	0.8
301.06274	0.7
302.04169	42.2
303.04547	2.8
317.06555	37.1
317.10043	8.1
317.21021	7.7
318.07056	2.2
318.10361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
52.83064	0.6
68.30845	0.5
68.99787	3.7
81.07121	0.5
82.00574	0.7
91.05479	0.6
99.04460	0.5
105.07034	1.0
107.04964	0.5
107.08571	0.5
110.00012	0.7
111.04433	0.5
115.00285	0.7
119.04974	1.9
120.05713	0.7
121.02856	10.6
125.02311	0.6
127.44825	0.5
131.04901	2.1
137.99498	1.8
139.00293	1.5
140.01132	0.5
147.04468	0.9
153.01820	3.0
156.00507	5.8
158.35228	0.4
160.05179	0.6
166.99841	0.7
168.00545	1.7
168.20477	0.5
171.04337	0.5
181.28906	0.5
183.02888	1.9
184.00027	15.6
185.00769	1.3
186.01584	0.6
195.02887	0.7
198.98779	2.0
199.02328	4.1
199.03912	0.5
200.04686	0.8
202.01077	22.2
203.89513	0.5
216.99744	0.7
225.09129	0.6
228.04179	1.5
242.09540	0.5
253.08282	0.5
257.04422	1.0
257.11697	0.5
259.68375	0.4
271.02512	0.9
271.05954	2.0
271.08789	0.5
274.04703	0.5
284.03156	0.6
285.03928	3.4
285.11191	0.7
299.01920	0.8
299.05457	2.9
301.03461	0.7
302.04187	72.6
303.04535	3.6
317.06525	100.0
318.06845	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	317.0653
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
56.02620	0.4
60.30036	0.2
68.99782	0.7
70.92029	0.3
84.02084	0.8
95.87719	0.2
99.00784	0.8
112.01575	2.4
127.00231	0.8
131.04765	0.2
134.03624	0.4
135.04411	1.2
136.05148	0.5
137.02324	3.9
140.01025	4.7
144.05669	0.3
154.99738	0.3
159.90125	0.2
163.03897	0.3
168.00522	22.7
169.01280	2.1
172.05174	0.4
176.04654	0.8
186.01584	8.2
187.03807	0.4
200.04720	0.5
203.03203	0.2
211.03864	1.0
228.04108	0.5
229.04909	0.3
245.04427	0.3
256.03748	0.4
256.12558	0.2
271.05997	0.6
273.03888	0.8
274.04630	1.7
299.05582	0.3
301.03452	1.2
302.04163	100.0
303.04523	4.0
317.06512	90.5
318.06842	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21902	0.2
53.97463	0.2
55.01875	0.4
56.02657	0.3
59.30415	0.2
68.99820	0.8
69.03426	0.4
69.77899	0.8
71.01376	0.3
79.05524	0.3
84.02134	0.7
89.03916	0.4
95.01368	0.6
98.01945	0.2
98.22752	0.3
99.00845	0.7
103.05505	0.7
103.70211	0.2
107.04952	1.8
108.02099	0.6
112.01576	1.8
117.03432	0.3
123.00828	0.3
127.00301	0.8
131.04927	1.9
134.03638	0.9
135.04404	1.9
136.01546	3.3
137.02368	1.8
139.00296	0.7
140.01048	3.6
145.03967	0.5
147.04434	0.6
151.03912	0.4
153.01894	0.7
154.02617	2.4
155.03392	0.5
162.03093	0.3
164.01010	1.4
168.00542	13.5
169.01331	5.1
169.05016	0.3
170.01711	1.0
171.01839	0.9
171.04460	0.3
181.06471	0.3
182.02101	5.0
183.02888	9.7
184.05193	0.3
186.01596	4.6
186.03143	0.4
189.16025	0.2
197.04449	22.9
198.04802	0.4
200.03156	2.1
200.04750	0.4
203.03362	0.3
211.03961	0.4
213.03963	0.5
215.05522	0.6
223.06111	0.3
228.04216	0.3
229.04948	0.3
231.02914	0.4
239.07028	1.2
245.04472	5.2
246.05005	0.5
256.03732	0.4
269.04523	0.4
271.05606	0.3
273.03860	0.4
273.06650	0.6
274.04700	3.6
275.09204	0.6
284.03131	0.9
284.06146	0.3
285.03812	0.8
299.06104	0.3
299.09067	1.7
301.03217	1.4
301.06485	0.3
302.04190	50.5
303.04550	2.6
317.06509	100.0
318.06873	5.1
318.10138	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	317.0655
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01854	0.5
66.88039	0.2
68.99780	1.5
69.66229	0.7
69.66600	0.5
71.01322	0.4
72.31622	0.2
79.05448	0.4
83.24130	0.2
84.02093	0.8
95.01342	0.3
99.00780	0.8
103.55897	0.3
107.04939	2.9
112.01569	2.8
127.00250	1.1
132.99510	0.3
134.03625	1.6
135.04419	2.1
137.02347	1.7
139.00240	0.6
140.01030	4.6
148.69057	0.3
153.01817	0.3
162.03067	0.3
163.03909	0.4
168.00531	15.5
169.01331	3.8
183.02879	18.7
184.03258	0.5
186.01590	6.6
187.01968	0.3
211.04051	0.2
234.48607	0.3
245.04384	0.6
271.02362	1.9
274.04706	2.4
284.03210	1.7
285.03876	1.4
299.01871	1.1
301.03323	1.8
302.04184	34.1
303.04633	1.7
310.57254	0.3
317.06528	100.0
318.06866	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	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
56.02616	0.6
57.23938	0.3
58.28033	0.2
66.01049	0.2
68.99786	1.9
69.13699	1.3
69.14094	0.4
70.00546	0.3
71.01313	0.3
73.07864	0.2
81.03375	0.3
84.02109	1.7
99.00804	1.1
99.04394	0.4
107.04943	2.4
108.02044	0.7
112.01574	4.1
127.00272	1.1
127.03855	0.3
131.04880	0.4
134.03621	3.0
135.04410	1.6
136.01555	1.6
137.02335	1.8
139.00221	0.3
140.01030	6.5
140.18242	0.2
153.01785	0.4
154.02548	1.0
154.99774	0.2
163.03824	0.4
164.00986	0.7
167.01970	0.2
168.00523	24.2
169.01312	6.1
170.01692	0.3
171.72478	0.2
178.74126	0.2
182.02090	2.2
183.02896	3.6
185.03069	0.2
185.99910	0.5
186.01584	9.2
186.03142	0.3
187.03859	0.5
192.28325	0.2
195.02858	0.4
197.04430	12.2
200.03102	0.8
200.04684	0.3
211.03816	0.3
212.32845	0.2
213.03957	0.4
228.04121	0.5
241.31436	0.2
245.04413	0.5
256.03558	0.5
272.08929	0.4
274.04691	3.4
284.03137	1.8
285.03891	1.7
299.08969	0.4
301.03415	2.9
302.04166	72.1
303.04498	3.6
317.06516	100.0
318.06900	6.4
318.10553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
50.96193	0.2
53.26298	0.2
56.02680	0.4
65.39664	0.2
67.67420	0.2
68.99778	1.7
71.01392	0.2
79.05517	0.4
80.65793	0.2
84.02103	1.5
95.01389	0.3
95.05002	0.3
99.00876	0.7
107.04955	3.7
112.01585	2.8
126.99506	0.3
127.00259	1.2
131.04906	0.4
134.03647	1.5
135.04437	2.2
136.01582	0.2
137.02330	1.5
139.00336	0.6
140.01050	4.4
140.02034	0.3
153.01848	0.6
154.99779	0.3
162.03148	0.2
168.00542	17.2
169.01314	3.9
182.02138	0.5
183.02895	20.0
184.03311	0.8
184.05107	0.3
186.01598	7.7
187.01770	0.2
187.04024	0.2
197.04500	1.3
200.04759	0.3
203.10638	0.3
211.03906	0.4
220.03586	0.3
228.04161	0.3
257.04309	0.4
267.17892	0.3
271.02353	1.3
271.05310	0.2
273.03827	0.4
274.04657	2.3
279.93890	0.2
284.03082	1.4
285.03891	1.7
299.01822	0.6
299.20041	0.2
301.03406	2.5
302.04193	35.9
303.04492	1.8
317.06525	100.0
318.06882	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	317.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62996	8.2
69.03440	19.6
69.07062	46.0
69.22498	8.4
69.75537	31.7
70.06571	28.3
70.11508	7.9
72.08149	20.1
81.03409	35.2
84.04493	26.4
84.08133	53.2
85.02894	11.5
86.09684	28.8
91.73201	9.5
93.01051	30.7
98.22741	12.2
98.97566	16.9
102.05519	11.7
103.87808	11.3
109.02885	15.2
116.98582	9.3
127.03900	24.0
129.10216	30.7
146.07906	9.0
167.30222	10.9
176.03806	10.1
179.90161	9.1
204.79601	9.2
222.95198	13.9
231.04973	25.7
259.03796	11.9
284.90573	15.3
317.09879	100.0
317.12390	50.5
317.21945	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	317.0997
Annotation	SC-57666
Peak:m/z	Relative Intensity
69.07067	23.0
70.06594	38.4
70.37530	25.0
73.40569	13.8
84.04489	13.7
84.08143	23.2
86.09699	77.0
87.04482	46.3
129.10201	24.3
137.25435	11.6
176.09944	12.2
226.31874	11.8
299.10410	39.5
317.03494	11.0
317.09866	100.0
317.12210	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	317.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28428	0.4
53.21239	0.4
54.44016	0.4
58.42106	0.5
60.04527	0.9
67.05476	0.7
68.99779	2.1
69.03431	1.1
70.06593	2.0
70.67738	0.5
72.08173	0.9
72.60870	0.5
84.04508	2.8
84.08138	1.0
85.02891	1.3
86.09702	2.4
97.02928	0.6
97.06555	0.7
98.23417	0.6
102.05546	0.6
107.08578	1.2
109.10130	3.4
116.07079	2.7
117.07425	1.1
127.01569	2.0
135.04427	1.0
137.02325	1.2
143.11772	0.9
152.10739	1.1
155.06783	13.5
170.11748	1.1
174.13124	0.7
185.04199	12.5
188.12814	3.7
201.00270	2.8
203.05252	4.9
217.07248	0.5
254.13733	0.8
291.21832	0.5
299.10480	0.7
300.14502	0.6
317.03177	6.4
317.12054	100.0
317.25513	1.7
318.12454	4.0
318.15631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70159	0.8
60.05648	1.3
68.99773	1.0
70.06591	7.0
97.06520	6.9
97.07648	1.3
101.00912	0.8
105.52622	0.8
119.01910	1.4
131.01930	1.3
134.90648	0.7
145.03419	1.0
155.01904	1.0
155.06747	1.2
155.08043	1.5
173.02943	2.2
173.68124	0.7
175.11865	2.1
177.00937	3.2
179.00775	1.0
201.00766	0.9
203.02539	2.7
203.04054	2.2
209.06569	2.0
217.09677	1.0
219.02043	5.3
220.02138	1.6
220.05492	2.1
221.01842	2.1
221.05026	11.7
222.01945	1.0
228.74139	0.7
237.08055	1.9
238.06429	1.0
239.07872	1.3
243.01936	1.2
251.07770	1.4
256.97522	0.9
257.01505	1.5
262.03250	3.0
269.08792	1.4
270.99228	1.0
271.02341	1.4
274.97589	1.0
275.02484	10.7
275.04810	0.8
276.07330	1.6
276.29269	0.9
281.08636	0.9
287.09702	3.1
299.09781	8.7
315.09076	1.1
317.05133	8.6
317.12085	100.0
318.12357	3.1
335.10559	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.0
57.03437	7.6
61.02931	10.5
65.03934	3.1
68.76862	3.1
68.99795	15.3
69.00128	3.2
69.03423	14.6
69.45556	17.3
72.08170	5.7
73.02903	5.1
79.05510	4.0
81.03426	12.5
85.02898	46.3
90.67390	2.8
91.05491	23.3
93.07108	3.8
97.02897	27.4
98.23382	7.6
103.03919	9.5
103.05438	8.0
105.03362	3.3
105.07035	33.1
109.02888	4.1
115.05467	14.1
119.04932	17.6
121.06502	11.9
123.04424	5.8
127.03912	5.4
128.06236	9.6
129.06982	24.5
130.06456	3.7
131.04926	13.1
131.58040	3.2
133.06506	26.4
136.06616	3.7
137.05974	100.0
139.00264	7.2
139.44551	3.8
141.07016	3.6
143.04921	10.3
145.04924	4.0
145.06509	14.2
147.04430	14.9
147.08075	5.2
149.05992	26.9
151.07544	59.7
153.06989	6.6
157.06468	26.2
159.04379	4.1
159.08018	5.3
161.02362	4.9
161.05980	39.1
163.03949	5.3
165.05434	35.5
167.07083	9.9
171.08154	3.5
173.06001	13.4
174.06766	3.8
175.07523	23.8
177.05424	6.4
179.07016	72.5
181.06523	8.9
185.05991	10.2
187.07568	9.6
189.05461	6.0
189.09128	4.0
191.07014	12.9
197.06021	3.9
199.07579	10.4
203.07014	62.4
205.08658	5.4
212.56090	3.1
215.07001	5.7
217.08577	11.1
221.08061	17.2
227.06978	11.2
233.08070	16.5
245.08157	32.6
251.09140	4.0
263.09109	27.4
271.02377	40.8
273.71259	3.6
281.10187	7.6
299.01843	20.5
317.02631	4.6
317.06348	5.6
335.64008	3.3
339.39294	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	317.1747
Annotation	Gibberellin A9
Peak:m/z	Relative Intensity
53.03941	2.3
54.63856	1.8
55.01890	1.6
55.05522	6.8
57.03462	1.7
57.07085	2.0
58.53687	1.5
63.02465	1.6
65.92061	1.6
67.05497	13.0
67.69320	1.8
69.03429	4.3
69.07069	6.9
69.63885	7.4
69.64233	1.9
79.05490	15.2
81.07049	47.9
81.07496	2.5
83.05012	2.5
83.08637	4.0
89.87375	1.9
91.05471	21.8
93.07019	14.9
95.04992	5.5
95.08599	22.0
97.02889	4.0
97.06556	3.6
103.05452	3.2
105.07028	44.6
107.08585	12.5
107.09252	1.9
109.06574	2.6
109.10153	12.4
111.67669	1.7
115.05457	2.5
117.07037	13.0
119.08569	59.8
121.02931	2.6
121.06547	4.0
121.10167	8.2
123.08089	3.5
123.11640	2.2
125.02381	9.8
128.06221	5.4
129.07004	8.8
130.07791	3.3
131.08554	27.2
132.09372	3.2
133.10112	28.5
135.04474	1.9
135.08098	3.2
137.09596	2.6
141.06985	3.8
142.07755	8.5
143.03470	1.7
143.08546	18.5
144.09312	4.8
145.10123	49.9
145.11212	2.9
146.10912	2.7
147.11679	12.2
149.05995	2.2
154.07758	1.9
155.08549	11.7
156.09378	5.5
157.10103	30.7
158.10938	4.8
159.11682	33.2
159.12936	2.2
161.09679	2.0
161.13306	3.3
167.08684	2.8
168.09399	2.9
169.10130	17.9
171.08051	1.9
171.11667	27.2
172.12526	8.7
173.09695	4.6
173.13251	25.9
174.13965	2.4
175.14874	7.6
179.08517	2.2
181.10155	4.3
182.10849	2.2
183.08080	3.1
183.11658	14.3
184.00044	4.2
185.09647	2.3
185.13187	9.3
187.11192	3.9
187.14807	100.0
188.15559	11.3
189.09135	2.2
193.10233	2.7
195.11913	2.3
196.12491	6.6
197.09613	4.9
197.13246	11.1
199.14949	2.2
201.09132	5.8
202.01132	5.0
203.10730	4.2
205.10294	1.9
206.42882	1.7
209.13135	2.8
210.13988	3.0
211.11340	2.5
211.14757	21.3
213.09167	3.6
213.16519	2.3
215.10678	8.3
217.12274	3.9
225.09137	2.6
225.16365	30.5
227.17896	16.8
229.12349	3.2
231.10146	2.9
235.14886	4.1
243.10289	5.5
243.17389	2.9
249.11182	4.3
253.15823	21.3
254.16248	1.8
257.15402	6.2
271.16901	63.6
272.17380	2.6
273.18533	2.5
281.15359	21.4
281.18405	2.6
299.16464	35.6
299.20032	8.8
302.04211	16.1
317.06558	29.2
317.17487	40.1
317.21146	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	317.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01863	1.1
55.05260	0.3
55.05507	4.8
55.39997	0.3
57.03427	0.3
57.07064	1.1
65.03932	0.7
67.05498	11.2
69.03417	0.9
69.06700	0.5
69.07058	6.3
71.04983	1.7
71.43756	0.3
77.03947	0.4
79.05484	5.3
81.07047	9.3
82.07378	0.4
83.04959	1.3
83.08601	2.6
85.02900	0.7
85.06499	0.5
87.04472	0.3
91.05467	8.3
93.06443	0.4
93.07035	9.5
95.04964	2.9
95.08594	26.0
96.08916	0.7
97.02888	2.1
97.06506	0.9
97.10127	0.6
103.05447	0.5
105.04492	0.3
105.07019	13.9
106.07835	0.4
107.08580	9.8
109.06511	1.3
109.09409	0.6
109.10142	8.9
111.04418	1.2
111.08046	0.8
113.05916	0.3
115.03938	0.8
115.05466	0.6
115.07601	0.4
116.06235	0.4
117.07005	4.8
119.08568	27.4
120.08865	0.6
121.06531	0.7
121.10123	7.2
123.08060	1.0
123.11658	1.4
125.05980	0.4
125.09603	0.3
127.07558	0.4
128.06215	1.1
129.06982	2.9
129.09113	0.8
130.07784	0.8
131.08546	8.6
132.09325	0.3
133.10112	18.8
134.10497	0.5
135.08044	0.5
135.11668	2.9
137.02310	0.2
137.06001	0.5
137.09644	0.5
139.07518	1.4
141.05490	0.4
141.06973	2.6
142.07755	3.3
143.08556	6.3
144.09373	1.6
145.10106	18.4
146.10760	0.5
147.07999	0.4
147.11670	15.5
148.12035	0.4
149.05907	0.4
149.09583	0.6
149.13232	0.6
151.07501	0.4
151.97243	0.3
153.07010	0.6
153.09149	0.5
155.07034	2.6
155.08528	4.7
156.09309	2.8
157.10110	12.1
158.10884	1.9
159.08017	0.6
159.11674	16.5
160.12489	1.6
161.09596	0.7
161.13240	5.7
163.07504	0.6
163.11125	0.5
163.14784	0.3
165.06985	0.4
167.07048	0.3
167.08521	0.9
167.10683	0.3
168.00574	0.4
168.09311	1.6
169.10107	7.6
170.10878	1.4
171.11678	9.7
172.12422	1.6
173.13235	18.8
174.13931	0.9
175.07497	0.4
175.11182	1.1
175.14767	1.7
177.09166	0.3
181.08673	0.5
181.10110	1.6
182.10884	1.7
183.11671	9.0
184.12489	1.3
185.09583	0.4
185.13229	4.7
186.13989	1.1
187.11174	1.1
187.14803	8.5
188.15564	8.3
189.12704	0.3
189.16302	1.8
191.10625	0.8
193.10159	0.4
195.10123	0.4
195.11668	3.0
196.12520	1.3
197.13213	8.9
197.16052	0.4
198.13708	0.5
199.11046	0.7
199.14787	5.8
200.15448	0.9
201.12726	1.0
201.16359	6.7
202.16782	0.4
203.10637	0.6
203.17953	1.0
205.12213	2.0
207.11667	0.3
209.13316	1.4
210.13965	0.8
211.11145	0.4
211.14807	3.3
213.16310	1.0
215.10730	1.2
215.14394	0.3
215.17940	1.8
217.12236	2.7
219.13704	0.5
219.17268	0.4
221.13371	0.3
223.14882	0.4
224.15620	0.8
225.12775	0.4
225.16360	1.1
229.12202	3.0
231.13733	0.7
235.13268	0.8
237.16458	1.3
238.16945	0.3
239.14133	1.0
239.17915	9.4
240.18448	0.6
243.13722	3.1
247.13274	0.8
253.19490	1.2
257.15326	1.3
257.19064	0.8
261.14819	1.1
263.17905	0.4
269.15442	0.4
271.16879	0.5
271.20703	0.4
273.22055	0.4
275.16519	0.4
275.19748	0.4
281.18973	1.2
299.20020	10.6
300.20389	0.6
302.04193	1.8
317.06631	2.0
317.21042	100.0
318.21323	6.4
318.24655	0.5
318.29642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.05518	6.4
65.03922	2.8
67.05500	17.9
68.99787	6.5
69.03421	10.7
69.07059	11.6
70.65644	3.1
70.65968	3.3
79.05500	12.8
81.07052	21.7
83.04980	5.6
83.08615	6.8
86.09717	3.3
91.05474	20.0
93.07047	18.7
95.04977	6.4
95.08602	38.8
97.06526	4.0
103.05442	2.6
105.07013	26.3
107.04949	2.9
107.08601	20.5
109.06495	5.1
109.10157	19.0
111.04438	10.9
117.07027	8.0
119.04971	4.4
119.08584	53.5
121.02909	6.4
121.06503	11.3
121.10125	12.0
123.04375	2.7
123.08083	4.3
123.11707	8.9
129.05505	4.6
129.07014	6.8
131.04913	3.6
131.08577	16.5
133.06496	3.9
133.10123	30.6
135.08035	7.4
135.11697	5.1
137.09579	8.3
142.07738	7.1
143.08549	9.3
145.02846	4.9
145.06306	2.5
145.10141	25.7
147.04469	4.2
147.11700	15.0
149.09596	6.4
151.11194	7.8
155.08514	7.2
156.00560	6.2
156.09328	4.3
157.10129	18.0
159.11684	25.3
161.09631	6.4
161.13269	9.7
165.09094	3.4
168.00471	4.2
169.10092	8.6
170.10808	4.6
171.08035	3.6
171.11719	17.0
173.09579	6.1
173.13286	22.1
175.11166	3.3
175.14894	4.8
177.09116	3.7
182.99236	3.0
183.11722	7.5
184.00034	10.9
185.00786	4.9
185.13208	3.4
187.11270	4.3
187.14795	19.2
193.12286	4.0
197.13278	7.8
199.02553	2.8
201.12781	4.4
201.16425	12.3
202.01074	27.8
205.12305	5.6
211.14810	7.2
213.16342	3.2
217.12161	5.0
225.16350	5.3
229.12274	5.8
235.13371	3.2
239.14116	3.1
239.17868	5.8
243.13805	5.3
253.19533	7.0
257.15390	4.9
261.14993	5.0
271.02362	5.1
271.16949	8.9
271.20578	3.0
281.18991	6.1
299.16672	4.8
299.20032	25.8
302.04169	90.8
303.04584	5.9
317.03329	3.5
317.06540	100.0
317.17523	9.6
317.21057	89.9
318.06851	3.9
318.21396	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03938	2.1
55.01865	1.5
55.05509	10.0
57.03410	1.1
57.07065	2.0
59.05000	5.7
64.78347	0.9
65.03889	0.8
67.05162	1.5
67.05505	23.0
68.99789	1.2
69.03427	2.4
69.07063	13.1
69.76711	3.0
71.04985	2.7
71.14623	0.9
77.03911	1.3
79.05491	11.9
81.07053	24.1
83.04978	7.1
83.08618	5.0
85.06535	1.5
90.44752	0.9
91.05476	17.9
93.06452	1.2
93.07041	24.1
95.04958	4.1
95.08601	39.6
95.09210	2.0
97.02893	2.4
97.06522	3.2
97.10149	1.5
99.08124	1.4
103.05399	1.2
105.07024	31.8
106.74392	1.0
107.04939	2.2
107.08585	22.6
109.06520	6.7
109.10147	23.5
111.04448	13.2
111.08064	2.1
117.07015	7.8
119.08575	100.0
120.08874	2.7
121.06496	4.4
121.10135	15.4
123.08055	8.7
123.11701	13.8
125.05946	2.1
128.06165	2.1
129.06979	4.1
131.08569	12.4
132.09358	1.0
133.06483	2.2
133.10123	35.7
135.08041	3.8
135.11696	5.2
137.09618	10.6
137.13286	2.0
139.07523	1.3
141.06992	2.3
142.07761	2.4
143.08560	8.6
144.09225	1.6
145.06519	1.2
145.10117	17.3
147.07983	4.9
147.11665	17.7
149.06059	1.8
149.09592	2.5
149.13219	3.2
151.07584	1.7
151.11163	7.2
155.01608	1.0
155.08533	4.7
156.09315	3.6
157.06474	1.3
157.10120	12.6
158.10735	1.2
159.08018	1.9
159.11679	21.0
160.12395	1.4
161.09665	5.1
161.13219	8.7
163.07526	1.3
163.11182	2.2
165.06969	1.5
165.09094	2.7
167.08591	2.7
167.10657	2.0
168.09271	1.8
169.10118	9.4
170.10873	2.2
171.08020	1.3
171.11674	10.0
173.09595	3.1
173.13248	11.4
175.07552	1.7
175.11148	1.8
175.14810	3.0
177.09151	1.6
179.10646	3.1
181.10132	1.6
182.10902	2.0
183.08081	1.3
183.11687	9.6
185.09624	2.2
185.13219	7.8
187.11113	5.0
187.14764	6.7
189.12766	2.6
189.16344	3.8
191.10645	2.3
193.12289	1.2
195.11732	2.4
197.09680	1.6
197.13257	8.8
199.11105	3.9
199.14766	5.3
201.12712	4.1
201.16389	10.4
202.16933	1.5
203.10641	2.5
205.12186	4.2
205.15877	1.9
209.13307	1.4
211.11163	3.7
211.14697	4.7
213.12723	1.6
213.16379	2.7
215.10681	3.6
215.14258	1.8
215.17949	2.7
217.12190	5.8
219.13774	4.3
221.13329	1.8
223.14703	1.0
225.12767	1.5
227.14243	2.1
229.12245	7.9
229.15915	1.4
229.19516	1.4
231.13747	1.8
237.16357	2.1
239.14275	5.8
239.17987	5.5
241.16002	1.5
243.13870	5.3
245.15358	2.0
247.13196	1.1
253.19540	7.1
257.15375	3.7
257.18994	4.4
259.16962	2.4
261.14789	2.0
263.17926	1.1
271.20511	4.8
275.20001	5.1
281.19003	9.1
289.21539	1.1
299.20041	30.5
300.20325	2.6
317.06534	2.1
317.21082	88.4
318.21378	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	317.2109
Annotation	Allocyathin B3
Peak:m/z	Relative Intensity
50.54538	1.5
53.03949	1.7
55.01852	2.9
55.05506	13.0
57.07069	2.7
59.04989	3.9
60.33609	1.7
65.03941	2.2
67.05502	29.4
69.03423	5.4
69.07063	15.6
70.07507	2.2
70.07851	2.9
71.04971	2.4
77.03918	3.2
79.05486	20.6
81.07053	53.7
83.04973	6.2
83.08606	6.1
84.82716	1.5
85.06544	3.1
87.02404	1.5
90.15953	1.4
91.04945	2.0
91.05479	23.5
93.07045	28.2
95.04961	6.3
95.08016	2.8
95.08598	38.9
96.08932	1.8
97.02875	3.9
97.06512	6.3
103.05449	1.8
105.07027	53.0
107.04942	3.4
107.08601	26.5
109.06506	6.6
109.10150	30.6
111.04428	10.8
115.05418	1.9
117.06985	14.9
119.08575	100.0
121.02868	5.1
121.06516	3.3
121.10126	18.3
123.08060	11.0
123.11700	11.8
125.02358	4.8
125.05943	2.0
128.06229	3.8
129.06982	9.3
131.08559	29.8
132.09377	2.5
133.06464	1.9
133.10115	54.9
135.08060	6.2
135.11655	6.3
137.05911	2.6
137.09610	11.8
137.99474	2.4
139.07512	2.6
141.06985	4.3
142.07765	5.7
143.08553	16.5
144.09302	3.6
145.10121	43.3
146.10844	2.2
147.08044	6.0
147.11671	20.9
149.05917	3.7
149.09607	4.9
149.13240	4.1
151.07564	2.6
151.11139	8.5
155.08545	12.0
156.00548	5.3
156.09348	5.2
157.10132	27.4
158.10901	4.9
159.08012	2.0
159.11693	43.6
161.09590	3.8
161.13275	9.0
163.14868	2.0
165.09093	3.7
167.08525	1.9
167.10686	2.4
168.09315	2.6
169.10109	17.3
170.10872	4.2
171.08028	2.0
171.11673	24.7
172.12454	8.9
173.09663	3.7
173.13255	22.4
174.13937	3.0
175.07654	1.9
175.11186	2.5
175.14809	7.0
179.10632	3.3
181.10069	2.7
183.00981	1.9
183.11688	18.0
184.00014	14.4
185.09619	3.6
185.13240	12.5
187.07510	2.9
187.11220	6.9
187.14803	70.6
188.15425	7.7
189.09128	3.8
189.12723	3.2
189.16377	3.6
191.10657	4.7
192.09276	1.9
193.10208	1.8
195.10199	2.0
195.11783	3.6
196.12413	5.1
197.09596	4.4
197.13214	15.5
199.11234	2.0
199.14851	6.0
201.09126	5.7
201.12723	3.5
201.16400	8.7
201.75159	1.8
202.01108	15.2
203.10670	4.4
205.12260	4.2
205.15843	2.8
209.13249	3.5
211.11185	3.5
211.14825	16.6
213.12657	1.7
213.16403	5.2
215.10727	6.4
215.17920	3.1
217.12225	6.0
219.13786	4.6
221.13403	1.7
223.14861	2.0
225.12775	2.4
225.16354	19.4
227.14310	2.5
227.17842	9.5
229.12209	6.6
229.15869	2.0
229.19518	2.0
231.13893	2.5
235.14821	4.6
237.16374	1.8
239.14317	6.2
239.17899	5.2
243.10141	3.5
243.13852	5.0
245.15439	2.7
253.15854	16.9
253.19475	6.6
257.15384	5.1
257.18982	4.7
261.14911	2.8
263.17841	2.2
271.16931	44.7
271.20471	6.1
272.17316	3.9
273.18524	4.4
275.20102	5.5
281.15396	15.3
281.18997	9.8
299.16391	22.0
299.20047	38.1
300.16669	1.7
300.20419	1.8
302.04193	51.7
303.04514	6.2
317.06546	66.5
317.17456	27.3
317.21109	88.9
318.06863	4.3
318.18057	2.5
318.21301	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
57.03432	4.9
61.02931	10.6
61.64017	1.8
67.19900	2.0
69.03426	20.2
69.87356	4.7
69.87678	2.6
70.06582	13.2
71.04984	2.7
72.08140	8.3
73.02924	3.0
81.03404	8.2
82.06578	2.2
84.08133	3.1
85.02901	100.0
86.09698	12.7
87.04404	2.4
89.76448	2.1
90.96767	1.9
91.03942	7.6
91.05476	5.1
93.07054	4.4
97.02880	22.0
99.04448	4.1
103.05434	4.1
106.89442	1.8
109.02876	6.1
110.07148	3.3
113.08392	2.4
121.06502	68.6
127.03909	15.2
130.06490	2.8
145.04951	32.1
145.06198	2.7
145.06490	2.5
151.03932	2.5
156.08066	3.0
159.07985	5.0
163.06026	4.9
172.02026	2.3
173.12790	2.6
174.11241	9.9
175.07420	2.2
179.07056	3.4
187.07475	11.0
205.08539	9.5
220.24460	2.2
221.09143	2.3
229.08492	3.5
247.09634	4.6
267.19260	2.0
273.03946	2.3
318.19028	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59037	1.3
53.03959	1.9
55.01863	2.9
57.03436	5.7
57.13638	1.5
58.41692	1.4
59.78660	1.6
61.02925	9.9
68.99789	34.7
69.03426	20.6
70.00122	2.5
70.06590	5.0
71.04970	2.1
72.08142	1.7
73.02926	4.5
74.27670	1.6
79.40765	1.6
81.03417	6.1
85.02901	100.0
87.04459	2.4
88.46612	1.5
91.03955	7.0
91.05470	4.5
93.07073	2.5
95.04979	2.1
97.02885	24.0
97.28024	1.5
98.22699	2.9
98.85769	1.6
99.04459	5.3
103.03931	1.9
103.05447	3.0
107.04952	8.6
109.02884	6.7
111.00787	2.0
111.75983	1.7
121.06497	77.7
123.00852	2.1
127.03897	20.5
135.04369	8.9
137.02315	3.5
139.00252	13.6
140.00623	2.0
145.04961	35.2
145.06161	2.8
145.06589	2.1
147.04399	3.3
147.42757	1.7
155.08670	1.9
156.06647	1.8
157.01334	3.1
159.08018	2.3
161.02325	3.0
163.06032	5.1
166.99785	3.2
179.07037	2.6
180.08644	1.7
183.02937	5.0
185.00839	15.5
187.03935	3.3
187.07527	14.8
201.00285	3.0
203.03404	3.0
205.08580	8.8
229.08720	4.5
247.09633	3.3
265.10706	2.5
272.02740	20.1
273.03915	15.7
300.02148	16.3
301.03412	23.4
301.06955	4.2
318.03348	2.8
318.06726	3.9
318.29959	3.0
319.04413	3.3
342.06342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01863	2.2
56.96568	1.7
57.03426	4.4
61.02918	6.8
69.03430	13.6
70.06587	2.6
71.04986	3.4
71.53321	1.3
72.08139	5.1
73.02909	2.9
81.03422	8.4
84.04500	3.6
85.02899	67.3
85.03418	3.3
86.09702	13.4
91.03941	5.0
91.05537	1.9
93.07036	1.5
96.04471	1.3
97.02883	16.4
99.04440	3.3
109.02888	6.9
110.76402	1.4
116.07077	1.3
121.06498	43.4
127.03912	17.2
132.10204	3.1
141.06618	3.7
145.04942	22.9
156.10178	4.7
159.07753	3.1
160.03711	1.6
163.06013	5.8
180.08640	12.3
187.07516	8.5
187.08984	1.5
201.12302	6.6
205.06903	1.4
205.08539	7.9
229.08438	3.0
247.09505	2.0
265.10760	1.5
277.68451	1.4
318.10190	1.7
319.13589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2024
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05521	6.1
56.96565	1.2
60.04520	30.1
60.04806	2.0
68.53084	0.9
68.99780	3.4
69.03420	1.1
70.02956	1.3
70.06603	4.0
71.42780	1.1
72.08152	69.5
83.08602	1.0
85.02937	1.1
86.09704	43.9
86.87576	1.0
87.05594	15.9
87.10028	1.2
91.05478	1.1
94.06574	1.0
96.08118	1.0
98.97637	1.1
114.09164	19.8
118.08660	2.3
121.02940	0.9
128.10706	2.2
132.10207	5.4
137.02303	2.3
147.04373	1.9
151.03915	1.5
159.11281	100.0
160.11693	2.5
173.12851	28.0
185.00850	1.7
187.10793	26.4
187.14377	2.6
201.12372	8.2
203.03452	1.7
203.08197	1.4
205.11879	3.7
231.17006	1.1
255.06506	1.8
255.11505	1.1
257.08148	1.7
273.12442	1.1
301.11957	6.4
301.15109	1.6
318.06436	1.4
319.13107	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01642	0.3
53.00308	2.3
55.01871	0.8
68.99790	5.3
71.01353	3.9
71.42962	0.4
77.03939	0.3
77.71713	0.3
91.05442	0.7
92.99757	0.9
95.04967	0.9
99.00162	0.7
99.00816	15.4
103.05470	9.6
105.03389	15.5
105.19724	0.4
111.00771	0.3
115.05459	1.8
116.06243	0.4
117.07048	1.7
120.04414	0.5
127.00269	7.2
127.05444	0.6
129.02466	0.7
129.03358	6.3
131.04922	4.7
131.05916	0.5
139.00285	1.9
145.01334	3.5
145.02843	0.7
145.06476	1.4
147.04411	3.0
155.04910	1.7
155.06067	0.8
160.28784	0.3
171.04428	0.9
173.05965	3.1
199.03941	1.6
201.05467	15.7
202.05763	0.6
215.04579	0.8
216.03024	0.6
217.04939	1.1
228.04185	0.7
229.04950	100.0
230.05275	4.5
243.06940	0.3
245.04466	1.5
253.81456	0.4
255.02864	2.9
257.04443	3.1
266.30780	0.4
273.03922	7.7
274.04245	0.4
298.14410	0.3
301.03403	6.8
306.27237	0.3
319.04446	18.0
319.10547	0.8
320.04834	0.8
326.46213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0446
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
52.01642	0.3
53.00308	2.3
55.01871	0.8
68.99790	5.3
71.01353	3.9
71.42962	0.4
77.03939	0.3
77.71713	0.3
91.05442	0.7
92.99757	0.9
95.04967	0.9
99.00162	0.7
99.00816	15.4
103.05470	9.6
105.03389	15.5
105.19724	0.4
111.00771	0.3
115.05459	1.8
116.06243	0.4
117.07048	1.7
120.04414	0.5
127.00269	7.2
127.05444	0.6
129.02466	0.7
129.03358	6.3
131.04922	4.7
131.05916	0.5
139.00285	1.9
145.01334	3.5
145.02843	0.7
145.06476	1.4
147.04411	3.0
155.04910	1.7
155.06067	0.8
160.28784	0.3
171.04428	0.9
173.05965	3.1
199.03941	1.6
201.05467	15.7
202.05763	0.6
215.04579	0.8
216.03024	0.6
217.04939	1.1
228.04185	0.7
229.04950	100.0
230.05275	4.5
243.06940	0.3
245.04466	1.5
253.81456	0.4
255.02864	2.9
257.04443	3.1
266.30780	0.4
273.03922	7.7
274.04245	0.4
298.14410	0.3
301.03403	6.8
306.27237	0.3
319.04446	18.0
319.10547	0.8
320.04834	0.8
326.46213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
53.00254	0.9
55.01819	0.6
55.05455	0.5
57.07003	1.3
57.07269	0.6
57.51888	0.4
66.38167	0.4
67.01811	0.7
67.05447	0.6
68.99711	31.4
69.00121	2.9
69.06994	0.8
69.59735	1.7
70.06537	0.9
71.01303	0.6
77.23131	0.5
79.05431	1.0
81.03366	0.8
81.06979	0.9
83.04894	0.5
89.03810	1.8
90.96716	0.5
91.05386	1.3
92.99722	0.9
93.06962	1.4
95.01321	2.2
95.04887	1.0
95.08543	1.1
105.06931	1.3
107.08501	1.5
109.10094	0.5
111.00706	1.9
111.04382	0.6
115.05409	0.5
117.03270	1.7
117.06936	1.0
119.08511	1.2
121.10033	1.5
123.00766	3.6
126.01010	0.6
127.03764	0.5
129.06941	0.8
131.04836	0.7
131.06328	2.2
132.06683	0.6
132.10106	0.9
133.10078	0.7
135.04408	23.2
135.11583	0.6
136.04707	0.6
137.02341	15.1
137.03351	1.7
139.00250	40.1
141.01683	0.5
143.08534	0.6
145.10023	1.0
147.04321	1.8
147.11575	0.6
149.13235	0.4
150.11186	0.8
155.57387	0.4
157.01352	2.5
157.02551	0.7
157.10139	0.8
159.04370	2.9
159.11621	1.0
163.03912	0.8
166.04945	0.9
166.99678	1.8
171.04298	2.0
173.05992	3.8
173.13028	0.6
175.03836	1.6
183.02823	0.9
185.00734	2.5
185.02261	1.2
187.03894	4.1
189.05417	0.7
199.03824	1.6
202.13329	0.5
203.03348	1.7
221.04337	1.1
227.03329	2.8
229.04897	5.0
241.09668	1.0
244.14755	0.5
245.04465	4.3
255.02843	7.9
255.11057	0.5
257.04416	10.3
258.04501	0.5
259.49689	0.5
273.03909	100.0
274.04221	4.7
275.05402	4.2
283.10730	1.0
301.03400	88.6
301.21558	0.9
302.03714	5.3
318.21326	0.6
319.04443	15.1
319.07996	0.6
319.12671	1.4
319.22760	2.6
320.12292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
53.00316	1.0
58.58440	0.6
61.47303	0.5
62.65220	0.6
67.01875	0.5
68.99786	46.4
69.08781	1.3
69.09190	2.9
70.00153	0.6
71.01362	0.8
73.64233	0.5
78.12600	0.5
79.05502	0.8
81.03444	0.9
92.99804	0.8
95.01316	3.2
95.04992	0.5
95.26748	0.5
107.04946	9.1
107.05595	0.8
111.00787	3.1
115.05412	0.7
121.02940	0.5
123.00797	3.8
131.04936	1.9
135.04404	8.9
135.05341	0.7
137.02335	8.3
139.00255	64.4
140.00682	0.9
140.02605	0.7
147.04454	2.2
157.01312	2.6
159.04437	1.9
163.80273	0.6
166.99760	4.0
171.04396	2.6
173.06010	1.6
175.03784	0.8
185.00818	5.6
185.02351	1.7
187.03906	0.9
199.03955	1.3
203.03346	1.6
217.95148	0.5
221.04359	0.6
227.03432	1.8
229.05019	2.3
245.04486	1.8
255.02840	8.4
257.04468	6.2
273.03922	95.7
274.04291	4.5
275.05453	4.3
301.03397	100.0
302.03723	5.3
319.04459	16.6
319.08130	0.7
320.04910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.7
57.89163	0.5
64.18352	0.5
68.99789	51.5
69.00142	2.7
70.00096	0.5
71.43324	0.6
79.05471	1.0
87.00778	1.1
92.99726	0.9
95.01316	3.3
95.04881	0.7
103.05470	13.2
105.07031	2.6
107.04957	10.5
109.02802	0.6
111.00798	4.5
115.00239	0.8
123.00774	4.6
131.04922	38.5
132.05142	1.2
135.03473	0.7
135.04413	9.3
136.83936	0.5
137.02342	10.5
139.00259	61.8
140.00618	1.2
141.01811	0.9
143.04811	0.6
145.02792	0.6
147.04376	1.2
155.04884	1.0
157.01344	3.8
159.04454	2.5
163.03847	0.9
166.99731	4.1
168.00507	0.6
169.01245	1.4
171.04420	3.5
173.05980	3.7
175.03833	1.1
183.02798	1.7
185.00864	5.7
185.02322	1.2
186.01375	0.8
187.03816	1.7
189.05405	0.8
199.03859	1.5
201.00288	21.5
203.03360	1.8
217.02583	0.5
221.04480	0.7
227.03311	1.7
229.04977	4.5
245.04471	4.0
255.02888	9.3
257.04428	9.0
262.80063	0.6
273.03918	98.2
274.04242	5.0
275.05484	4.9
287.05447	2.8
301.03412	100.0
302.03702	6.2
319.04498	18.7
319.07999	2.1
320.04828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0451
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
53.00306	1.9
62.20766	0.7
65.09813	0.7
66.57864	0.7
68.99792	100.0
69.46535	2.6
70.00128	1.4
72.19532	0.8
73.81030	0.6
79.05509	1.8
92.99744	1.2
95.01335	2.2
95.04973	1.6
98.23466	0.8
103.05440	1.1
105.03396	2.5
107.04957	21.1
111.00806	3.4
113.00334	1.1
115.05465	1.2
121.02859	0.8
123.00826	2.7
129.03369	0.8
131.04967	2.0
133.02861	3.3
135.04416	35.9
136.04773	1.1
139.00269	30.3
144.99358	0.8
146.59087	0.8
147.04442	2.8
149.02342	1.4
157.01639	9.8
157.02853	1.3
161.02380	8.0
163.03934	0.9
166.99750	12.3
171.04390	3.6
173.16138	0.7
175.03966	2.5
177.05496	1.5
179.93526	0.7
183.02911	1.8
185.00819	68.8
186.01234	1.6
186.03076	0.8
187.03958	2.7
199.03888	5.4
203.03429	6.9
217.04967	1.8
227.03329	3.3
231.02911	2.7
241.01250	0.7
245.04439	3.0
247.50667	0.7
255.02939	3.5
273.03940	23.0
274.04413	1.5
283.02551	2.3
301.03430	52.0
302.03729	2.8
319.04486	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	319.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
57.03427	3.4
58.59900	1.0
68.83605	1.2
68.99788	22.0
69.03459	1.0
76.54610	1.0
83.01360	6.0
87.00809	1.2
95.04961	1.7
101.02377	11.4
103.05462	22.5
105.07040	5.8
111.00826	2.2
111.93948	1.3
117.56179	1.3
119.03417	6.5
121.06499	1.2
127.00272	1.3
129.01857	1.8
131.04927	62.0
137.02443	1.4
139.00261	2.2
145.01311	3.6
153.01768	1.5
154.99771	1.5
155.04906	1.1
155.06088	1.5
169.01282	2.4
171.02870	3.0
171.04326	1.7
173.06024	1.7
183.02829	2.6
196.97433	1.1
199.02307	3.3
213.05537	1.4
215.01857	100.0
216.02318	3.1
217.04965	1.7
241.04951	1.8
273.04050	4.4
273.07562	9.2
301.03592	2.6
301.06931	14.6
304.04776	4.7
319.07303	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	319.0813
Annotation	3,5,7,4'-Tetrahydroxy-6-methoxyflavanone
Peak:m/z	Relative Intensity
53.03679	0.8
57.03431	3.0
68.99789	23.3
69.38535	3.9
70.81609	0.7
71.24027	0.7
78.38808	0.8
83.01360	6.0
87.00799	1.1
98.35564	0.8
101.02380	12.1
103.05466	20.9
105.07021	4.5
111.00801	2.0
119.03397	4.6
127.00253	1.8
129.01852	2.3
131.04926	52.5
132.05284	1.5
145.01303	3.4
145.06279	0.7
171.02873	1.3
173.05952	1.5
191.07039	1.9
197.00838	2.1
215.01860	100.0
216.02197	1.6
217.04916	1.2
241.05167	0.9
260.14032	0.8
301.07022	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	319.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03442	0.8
67.01859	0.9
68.99789	55.5
71.01329	0.9
77.03954	1.2
79.05479	0.9
81.03441	0.7
87.00839	3.5
89.03892	1.7
92.99750	1.5
95.01330	3.8
95.04936	0.7
103.05467	31.9
105.07032	4.9
107.04958	6.5
111.00792	2.7
113.02366	1.2
115.00290	1.4
117.03378	4.7
123.00796	5.5
131.04924	100.0
132.05269	2.3
134.03712	0.7
135.04437	5.9
137.02327	7.6
137.05963	1.7
139.00258	43.1
141.01828	1.5
145.02837	7.0
147.04379	1.5
149.05884	1.7
151.00267	0.7
151.07576	0.7
155.04843	1.8
155.06003	1.0
157.01317	2.0
159.04410	1.6
166.99782	2.0
168.00575	0.8
169.01329	31.5
171.04427	2.3
173.05984	2.9
175.03944	0.8
177.05470	11.5
183.02892	2.3
185.00879	4.0
187.02377	4.9
187.03824	1.2
195.02899	2.3
199.03824	1.0
201.00296	59.2
202.00720	1.4
203.03349	1.1
205.08612	1.9
209.87109	0.8
227.03435	1.4
229.05000	2.2
231.06444	1.5
245.04462	2.6
255.02840	6.0
257.04456	7.1
269.04510	0.9
273.03928	66.7
274.04123	3.6
275.05429	2.9
287.05460	7.6
301.03412	68.0
302.03766	2.6
319.04416	14.4
319.08081	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	319.2268
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
53.03942	3.7
53.31157	2.1
55.05505	36.3
57.07058	9.9
60.62814	1.9
65.03934	2.5
67.05509	28.1
68.99779	17.6
69.03435	2.5
69.07066	33.9
69.49413	4.8
69.49824	7.7
71.04991	3.7
79.05488	18.9
81.03395	4.2
81.07047	35.0
83.04958	9.7
83.08607	13.2
85.02888	3.9
91.05470	29.7
93.06465	2.5
93.07036	40.3
95.04958	6.7
95.08598	65.8
95.09215	3.1
97.02895	3.6
97.06522	4.1
97.10165	19.7
99.04424	2.3
105.07029	43.4
107.04929	5.5
107.08585	66.3
109.02837	2.7
109.10142	30.1
111.04435	8.5
111.08098	3.8
117.07018	10.0
119.04956	2.4
119.08572	57.1
120.59773	2.4
121.06508	6.8
121.10139	57.2
123.08004	3.1
123.11715	14.7
124.45989	2.4
125.09627	2.3
127.03905	7.8
128.06201	3.4
129.05516	3.8
129.07008	7.9
130.07761	2.4
131.08557	17.9
132.10231	5.7
133.06544	2.4
133.10109	45.7
135.04396	12.8
135.08076	4.6
135.11679	24.2
137.02318	9.1
137.09604	5.1
137.13228	4.7
139.00269	23.8
139.01277	3.3
139.07576	4.5
141.05418	2.8
141.06990	2.1
142.07797	5.8
143.08554	14.4
144.09273	2.5
145.10117	30.1
147.08058	4.8
147.11659	25.7
149.05983	3.6
149.09607	3.5
149.13254	22.7
150.11208	6.0
151.14801	2.2
153.09102	3.9
156.09315	8.0
157.10115	20.7
158.10843	2.5
159.11696	36.9
161.09586	2.5
161.13287	21.0
163.07549	5.4
163.14816	22.4
170.10805	5.4
171.08028	2.6
171.11659	15.6
173.09584	3.3
173.13248	14.7
175.11208	3.3
175.14799	12.1
177.12738	5.5
177.16365	4.8
179.10738	3.7
183.11655	2.9
185.09554	2.4
185.13268	11.1
187.11232	11.0
187.14793	7.0
189.12717	3.7
189.16362	9.9
191.10620	3.3
191.14264	3.2
191.17937	4.5
195.91017	2.4
199.11250	6.0
199.14789	6.7
201.12679	3.5
201.16379	5.5
203.14392	2.5
203.17941	44.0
205.12227	14.8
213.12701	7.0
213.16283	4.0
217.12306	3.4
219.13875	7.6
223.13304	9.4
227.14296	3.8
229.05043	3.1
231.13820	14.4
233.15266	3.4
235.13370	2.4
237.14792	8.0
241.19606	5.3
245.15404	5.3
249.14859	16.4
255.02699	2.9
255.21092	8.8
257.04404	5.0
259.16882	3.7
273.03922	59.9
273.22104	9.9
275.05453	3.3
283.20435	11.2
301.03387	42.4
301.21600	37.9
302.03693	4.8
319.04474	10.8
319.08087	2.1
319.09140	2.1
319.22653	100.0
320.22842	5.1
331.04135	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
51.67836	0.9
53.03937	2.4
55.01838	0.9
55.05506	16.4
57.07072	3.1
65.03929	1.4
67.05500	16.2
69.03421	2.5
69.07060	26.2
69.07526	4.6
69.07937	2.2
71.04978	1.8
77.03925	1.4
79.05490	11.6
81.03418	2.8
81.04063	0.9
81.07053	25.4
81.97993	1.0
83.04976	3.0
83.08621	8.6
91.05473	13.3
93.07046	29.1
95.04961	6.3
95.08601	36.2
97.02851	1.1
97.06519	3.7
97.10165	4.3
98.22687	2.5
103.05473	1.2
105.07021	21.7
107.04958	1.7
107.08588	34.1
109.06512	2.4
109.10150	22.7
110.93656	0.9
111.04434	6.8
111.08092	2.8
111.11723	6.3
114.59746	1.2
117.07003	3.9
119.04984	1.1
119.07748	1.7
119.08573	24.7
119.31413	0.9
121.06493	9.3
121.10141	27.7
123.04449	1.4
123.08085	4.3
123.11697	16.5
125.06000	1.6
125.09631	1.1
129.05507	1.1
129.06996	3.6
130.07782	1.1
131.08563	8.0
133.06543	1.2
133.10126	18.4
135.08070	7.1
135.11688	13.2
137.05986	1.1
137.09624	7.2
137.13281	2.4
139.07555	2.3
139.11089	0.9
142.07784	1.2
143.08551	6.4
144.09293	1.7
145.10109	13.2
147.08060	2.2
147.11682	14.8
149.05948	1.3
149.09621	2.7
149.13246	13.0
151.07587	1.6
151.11182	7.0
153.09143	2.8
155.07024	1.1
156.09387	1.2
157.10143	6.8
157.89578	1.1
159.11679	12.2
161.09634	3.7
161.13254	13.6
163.07486	2.7
163.11183	5.8
163.14810	13.8
165.09128	1.8
165.12843	2.5
171.10275	2.0
171.11703	7.2
173.13239	9.8
175.07484	1.1
175.11143	1.7
175.14783	4.8
177.09262	1.0
177.12743	2.6
178.13428	2.0
179.14255	1.3
183.11685	1.9
185.13184	6.3
187.11177	4.2
187.14784	4.2
189.16367	3.1
191.10672	2.0
191.14316	4.8
191.17932	1.8
197.13214	1.8
199.14827	5.4
201.12723	2.2
201.16454	3.6
203.14310	2.8
203.17915	14.0
204.18246	1.3
205.12236	4.6
205.15814	1.0
206.16669	3.6
213.12810	2.9
213.16422	1.8
217.12289	2.9
219.13737	3.5
223.13182	1.2
227.14236	1.7
231.13722	5.2
233.15283	1.1
237.14780	2.7
241.19667	2.4
245.15359	6.5
249.14822	2.2
255.21005	4.7
259.17059	1.3
259.20654	3.0
263.16434	6.8
273.03845	2.6
273.21976	4.9
283.20578	6.1
301.21591	26.8
304.04630	1.3
319.22659	100.0
320.22961	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	320.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54010	4.6
56.03898	4.1
57.91598	4.5
67.52679	3.7
69.03412	5.8
69.90678	8.5
69.91040	8.5
79.05496	6.2
81.07044	5.4
87.02174	3.9
91.05460	5.9
98.22778	4.7
119.08621	6.0
133.06487	23.4
134.06863	20.2
137.05923	5.5
157.06503	19.1
158.06758	21.9
253.87898	4.3
257.04343	5.9
281.19696	3.9
320.09012	100.0
320.15012	7.9
320.22543	5.5
338.10919	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	320.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41904	0.4
65.03969	0.4
68.99796	0.4
69.57868	0.4
91.05482	0.6
92.05023	0.4
95.03718	0.5
95.04984	1.2
96.04485	8.4
98.23447	1.4
103.05488	0.9
104.06290	0.5
106.06521	0.8
118.06567	0.5
119.04951	0.8
120.04459	100.0
121.02856	0.7
121.04790	2.0
128.06230	0.6
129.07007	3.1
131.04921	10.2
131.05901	0.7
132.05710	14.2
134.06010	20.8
135.06799	19.6
147.04419	1.3
153.56612	0.4
157.01276	0.4
157.06535	0.4
178.07889	0.6
179.08583	0.5
182.07281	0.5
183.08052	0.9
185.06007	2.6
186.56491	0.4
193.06137	0.3
197.09546	2.7
207.07956	1.0
207.59224	0.4
210.06680	0.8
214.52570	0.4
225.09053	4.2
227.09418	0.5
229.04961	0.4
230.05347	0.8
257.04468	0.9
275.05487	0.7
303.04984	0.9
320.12790	62.0
321.03601	2.1
321.06320	1.6
321.13058	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	320.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01850	0.5
57.07069	1.5
58.06594	28.2
67.05487	0.7
69.07070	0.7
71.08639	0.9
72.08133	0.5
74.70897	0.4
77.03906	0.7
79.05483	3.5
80.10506	0.4
81.34950	0.4
91.05473	0.9
91.89221	0.4
93.07037	0.4
94.28503	0.4
95.04941	3.0
95.08536	0.4
98.98459	0.7
102.91150	0.4
105.04500	0.9
105.07016	0.5
107.04942	100.0
108.05273	1.9
137.09497	0.5
161.07416	0.4
181.61328	0.4
186.40292	0.5
212.23705	14.6
213.24026	0.8
214.25273	16.7
215.25591	0.8
285.61618	0.4
320.29446	64.7
321.20694	0.8
321.24115	0.9
321.29761	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	321.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.8
67.01849	4.3
68.99782	9.5
69.03411	1.1
71.00952	0.5
71.01346	9.8
76.53658	0.5
81.03410	3.2
81.07017	0.7
83.01348	0.5
86.09693	1.0
91.05478	2.9
93.07014	0.5
95.01329	4.8
95.04937	0.7
95.08604	0.5
96.99221	1.3
99.00784	1.2
107.08563	0.7
109.02879	0.8
110.13822	0.5
111.00788	2.1
113.02365	5.1
115.00274	0.6
115.05447	0.7
117.03349	1.0
117.06979	0.7
118.06488	0.9
119.04927	15.5
119.08572	0.6
121.01974	1.3
121.02852	28.0
122.03148	0.7
123.00781	5.8
129.06978	0.6
131.04897	1.5
131.08517	0.8
133.19478	0.5
134.09633	0.9
139.00241	7.0
141.01802	1.6
143.04868	1.4
145.02835	7.3
145.06465	0.9
146.05923	0.7
147.04399	9.3
155.04955	0.6
157.01306	14.3
157.06461	7.7
161.05978	0.7
163.03905	4.9
166.99760	1.6
171.04373	4.0
173.05962	2.0
177.05458	4.8
181.01297	0.7
185.05911	0.8
187.03915	2.7
188.07054	1.3
201.05450	0.8
202.06305	0.6
203.07030	0.5
211.03940	1.5
213.05443	12.7
214.05894	0.7
229.04915	17.4
230.05539	0.5
231.06488	29.6
232.06812	1.1
233.04482	1.2
239.03323	3.5
241.02463	1.2
241.04926	24.6
242.05211	1.5
247.06030	5.6
257.04413	61.7
258.04733	2.1
259.05975	9.6
260.06442	0.7
275.05472	35.1
276.05902	1.4
285.03903	7.3
303.04944	18.4
303.16013	0.6
304.05255	0.7
321.06000	100.0
322.06393	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	321.0603
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
53.00277	0.9
57.92503	0.6
60.75774	0.5
61.26609	0.6
67.01862	5.1
68.99786	9.8
69.03430	0.7
69.07589	1.7
69.08015	3.2
70.28748	0.6
71.01350	12.8
77.20181	0.7
83.01355	0.8
86.22777	0.7
91.05471	3.2
95.01318	3.7
96.99238	2.1
98.22601	1.4
99.00802	1.2
105.07049	0.6
111.00793	2.4
113.02345	7.8
115.05423	0.9
119.04945	18.2
121.02859	28.7
123.00791	5.8
128.06268	1.3
131.04927	0.9
131.08615	0.7
139.00252	10.1
141.01807	1.6
141.06909	0.9
143.04910	1.6
144.05708	1.2
145.02812	7.1
145.06456	1.1
147.04404	13.7
154.06247	0.9
157.01312	13.4
157.06471	9.7
159.04437	1.2
159.07994	1.3
163.03900	6.0
166.99733	2.3
171.04369	3.6
173.06004	1.8
177.05473	2.2
181.01263	1.7
183.04398	1.0
185.00821	0.8
185.06015	1.4
187.03909	4.1
187.07530	1.5
202.06181	0.8
203.06972	0.9
211.03960	1.0
213.05455	17.8
229.04951	21.3
229.08539	1.3
230.05289	0.8
231.06526	37.2
232.06908	1.4
233.04459	0.8
239.03392	4.9
240.46088	0.6
241.02478	1.6
241.04933	28.6
242.05345	0.9
247.05983	8.7
257.04425	77.9
258.04782	3.6
259.06003	11.3
275.05475	39.7
275.08923	3.5
276.05832	1.9
285.03897	6.8
303.04944	19.9
304.05258	0.8
321.06009	100.0
322.06268	3.8
335.35141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0604
Annotation	Fusarubinoic acid
Peak:m/z	Relative Intensity
53.00316	0.6
55.98002	0.5
57.31702	0.5
68.99432	1.1
68.99789	18.3
69.53343	1.6
70.06593	4.8
71.06913	1.1
77.00259	1.3
81.07061	0.8
91.04942	0.8
91.05478	13.1
92.99760	0.6
95.01300	0.8
103.05452	0.6
107.04945	0.6
111.00797	1.3
115.05438	1.0
117.07039	0.6
123.00809	0.9
128.06265	0.9
129.06976	0.8
130.08640	2.9
131.04930	3.4
131.08981	0.7
132.05255	0.7
137.05956	2.4
139.00258	9.3
145.06505	1.1
147.04420	0.7
151.00227	1.0
155.04924	1.0
157.01311	1.2
157.06445	1.1
159.04381	2.9
161.05960	2.2
163.03941	1.1
166.99773	2.8
169.01334	4.8
171.04379	4.4
173.05948	1.5
178.31177	0.6
178.85362	0.5
183.04399	1.0
185.00829	5.7
185.05899	0.8
187.03893	51.0
188.04187	1.7
189.05513	0.7
197.05975	0.5
201.05487	0.5
211.03906	2.5
213.05432	0.9
215.03458	0.6
229.04945	0.7
239.03348	8.5
240.03722	0.5
241.04910	2.8
257.04431	96.1
258.04666	3.9
259.06003	1.4
275.05560	1.6
285.03915	100.0
286.04263	5.7
303.04910	3.7
321.05978	1.8
342.52225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0604
Annotation	Fusarubinoic acid
Peak:m/z	Relative Intensity
51.80962	0.6
53.00288	0.8
68.99425	1.0
68.99786	17.8
69.76423	1.3
77.00314	0.7
79.57294	0.8
95.01334	1.0
98.23466	1.5
104.42829	0.6
111.00815	1.2
126.67004	0.7
131.04933	3.0
137.05948	1.5
139.00266	11.5
151.00188	1.0
157.01393	0.7
157.06487	1.1
159.04382	2.8
161.05978	2.0
163.03860	0.9
166.99738	2.8
169.01308	5.6
171.04352	4.4
173.05984	1.2
176.47987	0.7
183.04451	1.0
185.00830	6.7
185.05954	1.3
187.03891	47.1
188.04156	1.1
211.03828	1.5
213.05498	1.1
239.03383	9.1
241.04926	2.0
257.04431	96.1
258.04742	3.6
259.06107	0.7
275.05478	1.4
285.03912	100.0
286.04276	4.6
303.04993	3.8
321.06311	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	321.0605
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
53.00308	1.4
56.49891	0.6
59.28754	0.7
65.03916	0.7
67.01881	3.8
68.99792	9.7
69.85064	2.2
71.01354	11.6
72.31364	0.8
73.48714	0.7
82.37031	0.7
86.13789	0.6
91.05473	7.7
95.01325	5.7
96.99268	2.0
99.00812	1.6
103.05476	3.6
111.00798	3.2
113.02368	5.3
115.05488	1.2
119.04945	8.0
121.02860	27.5
121.17868	0.8
123.00787	6.9
129.07053	1.3
131.04916	2.9
139.00250	12.9
141.01799	2.3
145.02829	3.2
147.04390	5.2
155.04942	1.5
157.01321	15.0
157.06471	7.4
160.55969	0.6
161.06017	0.8
163.03903	4.3
166.99731	3.3
171.04424	2.6
173.05959	1.7
182.07870	0.7
185.05989	0.8
187.03833	4.7
201.05406	0.9
203.06976	0.7
211.03828	0.7
213.05449	12.2
218.04555	0.7
229.04948	15.9
231.04195	1.5
231.06500	25.2
232.06737	1.0
233.04401	1.0
239.03337	5.5
241.04951	22.0
242.05315	1.1
247.05956	6.9
257.04440	63.5
258.04837	2.7
259.05988	10.4
275.05487	38.3
276.05865	1.6
285.03903	7.1
303.04977	19.9
304.05106	1.0
321.06036	100.0
322.06467	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	321.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23956	1.4
67.01858	3.0
68.99789	5.0
69.03430	4.0
69.87038	1.3
71.01356	4.8
71.04978	1.3
71.42675	1.5
71.62475	1.3
76.24715	1.3
81.03418	3.4
81.07060	3.3
90.64028	1.2
91.05490	3.7
93.01070	5.0
95.01360	2.1
95.08614	2.9
101.69764	1.2
105.07020	1.8
111.38247	1.3
113.00017	17.4
113.02383	3.4
117.03386	1.8
119.04946	10.0
119.08588	1.8
121.02858	14.9
123.00816	1.6
123.08023	1.4
127.01564	95.6
129.07062	2.0
131.08582	4.7
133.10167	1.5
133.47369	1.3
139.00401	3.8
139.01546	100.0
140.01891	1.3
141.07013	2.1
145.02866	8.6
147.04436	10.2
149.06044	1.3
153.03111	61.0
157.01335	6.1
157.06468	6.2
159.08003	1.5
163.03922	3.2
170.21521	1.2
171.04309	1.6
177.05475	11.4
186.99246	4.4
187.07539	1.5
203.04547	2.1
213.05464	8.5
229.04897	9.5
231.06494	15.3
239.03459	1.6
241.04967	12.6
247.05978	3.1
247.09668	2.1
257.04431	29.0
259.06064	3.9
261.08932	2.3
263.06909	1.5
265.02374	11.0
275.05533	16.2
275.09067	3.3
285.03937	2.1
289.08514	4.1
290.09277	2.1
303.04999	8.0
303.15982	1.8
306.08670	1.4
321.00641	2.0
321.05969	40.3
321.10880	5.3
321.16861	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	321.0944
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
51.73217	4.3
52.02295	3.7
56.05020	10.4
56.96558	17.1
59.66690	3.9
61.01123	6.6
70.06588	43.2
71.05977	4.1
72.08144	8.0
74.02421	4.1
84.04493	21.1
84.08126	15.9
85.02882	6.0
85.08453	5.6
87.04456	10.4
89.63877	3.9
90.03773	14.9
95.06890	4.2
98.97607	5.0
104.05319	11.8
115.44171	4.0
120.08076	25.0
130.04970	20.5
130.08646	5.7
146.06317	7.4
148.05984	6.7
158.40276	4.4
175.11836	4.7
176.03802	31.5
177.05472	6.8
196.07263	8.6
222.04326	6.9
240.05368	4.6
266.08630	5.1
303.18207	5.5
321.09274	100.0
321.16702	6.6
322.09903	6.0
322.18610	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	321.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33535	1.4
50.66346	1.4
55.01858	1.8
65.03941	11.2
67.01852	5.8
67.05492	7.0
68.99788	9.3
69.03419	6.5
69.07061	2.4
70.88875	1.6
71.01354	12.9
71.41331	1.6
72.08105	1.9
79.05485	4.7
81.03413	6.1
81.07043	3.1
81.47163	1.6
83.05019	1.7
86.09703	73.6
87.10041	1.6
89.03922	2.5
91.05465	16.9
93.03406	6.8
93.07046	3.4
95.01334	6.5
95.04967	4.3
95.08589	2.3
97.02898	12.6
97.06535	2.2
103.05460	6.1
105.07053	4.5
107.04939	3.0
107.08582	1.9
109.02886	1.9
109.10160	2.8
111.00841	2.5
111.04486	2.2
113.02362	4.4
115.05439	9.8
116.06222	3.3
117.03381	6.5
119.04941	19.3
119.08566	2.0
120.08098	72.7
121.02869	30.6
121.08347	2.3
121.10171	2.6
123.00780	4.6
123.04436	2.8
127.05437	1.7
128.06230	6.6
128.10716	33.8
129.06958	8.6
131.04936	7.5
131.08560	15.9
132.10233	1.8
133.06480	6.5
137.05995	2.4
139.00243	7.2
139.03894	5.7
139.05405	2.2
140.04678	8.3
140.06195	1.8
141.06979	29.3
143.08574	2.8
144.05696	29.3
145.02858	20.6
145.06458	5.7
145.10074	1.8
147.04402	30.9
149.02354	5.1
149.05937	3.3
153.05482	2.6
153.07007	2.3
154.06247	16.0
155.04910	5.6
155.05989	1.7
155.07060	5.1
156.05695	2.5
156.10194	5.5
157.01321	14.4
157.06459	18.0
158.07239	2.6
159.08049	25.8
161.06064	2.4
163.03912	6.1
166.08629	41.2
166.99750	1.8
167.03427	6.2
167.04863	2.9
167.07068	3.0
168.05734	6.1
169.06467	15.5
169.07681	3.9
171.04398	4.4
171.08086	3.4
172.05191	2.9
173.05930	4.0
175.07463	3.1
177.05443	33.8
181.01288	1.6
181.04982	11.5
183.04410	3.3
185.05962	5.0
186.06850	2.7
187.07539	41.8
188.08080	2.2
189.05530	2.3
196.05226	2.9
197.05986	12.4
199.07475	2.3
200.04572	3.8
201.05563	2.2
202.06117	2.4
203.07040	6.0
204.07808	3.4
207.06499	5.0
213.05415	16.2
214.06227	6.9
215.07014	18.1
217.08534	3.3
218.09373	16.9
219.06618	3.6
219.10118	27.9
225.05418	3.8
229.05000	20.8
229.08528	35.8
230.05638	2.9
230.21201	1.9
231.06525	35.5
231.10150	2.7
232.07219	2.0
233.08141	2.8
239.03302	4.7
241.04936	26.2
242.05540	3.0
243.06523	10.5
244.07101	2.6
245.08124	2.6
247.06012	6.5
247.09651	30.5
257.04443	65.8
257.08063	30.2
258.04852	4.1
259.06009	8.9
275.05527	38.3
275.09113	100.0
276.06299	1.5
276.09518	5.8
285.03931	5.4
285.06955	1.9
303.04987	16.0
303.08615	16.2
304.49173	1.6
306.05295	3.1
321.06009	94.8
321.09689	52.6
321.16693	4.1
321.24042	2.4
322.06363	7.0
322.09839	2.5
322.25894	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.097
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
55.01870	2.5
55.05509	1.5
63.82994	1.0
64.32103	1.4
65.03947	9.3
67.05508	5.1
68.99788	3.4
69.03432	3.3
70.36118	1.2
71.01359	3.9
71.41610	1.3
72.54617	1.2
77.03950	1.3
79.05496	3.0
81.03417	2.5
81.07068	2.9
91.05480	9.6
91.12513	1.2
93.03409	7.4
93.07021	1.7
95.01336	3.0
95.04967	4.7
97.02884	9.3
103.05492	1.3
105.06998	2.3
107.04939	4.3
111.04443	1.7
111.57152	1.4
113.02357	1.4
115.05424	6.2
116.06210	3.4
117.03433	2.0
117.07010	3.4
119.04942	12.4
119.08598	2.0
120.08100	1.4
121.02856	10.9
121.10155	1.6
123.00805	1.3
123.04411	3.7
128.06248	6.4
129.07011	8.9
131.04948	5.9
131.08566	15.9
133.06488	8.6
136.71358	1.2
137.06030	1.6
139.00314	1.5
139.03911	3.8
139.05426	1.5
140.04715	8.8
141.06981	26.0
144.05696	23.5
145.02808	7.8
145.06438	4.7
145.10161	1.4
147.04408	30.1
149.02348	4.2
149.05939	1.9
153.05511	1.9
153.06873	2.0
154.06236	12.4
155.04951	6.0
155.07010	6.4
156.05672	1.8
157.01335	2.8
157.06506	12.5
158.07289	1.8
159.08057	24.4
159.11711	1.3
163.03868	2.0
167.03404	3.9
167.04840	2.4
168.05699	6.4
169.06441	17.7
169.07652	2.7
171.04411	2.3
172.05168	3.0
173.06009	1.6
175.07506	3.5
177.05469	14.1
177.12872	1.3
181.04961	12.8
183.04478	2.4
185.05995	4.2
186.06781	5.4
187.07536	41.2
189.05434	2.1
191.07027	2.3
196.05202	1.7
197.05991	15.0
198.06633	2.1
199.07584	3.8
200.04703	3.4
201.05389	3.0
201.09178	1.5
202.22821	1.4
203.06941	6.0
204.07729	2.1
207.06523	3.3
213.05525	7.3
214.06277	4.6
215.07013	19.8
217.08574	5.4
218.07336	2.5
218.09320	16.8
219.06822	2.4
219.10139	24.7
225.05484	3.8
227.07007	1.5
229.05032	7.6
229.08572	33.5
231.06563	9.8
231.10164	2.5
233.08047	2.6
239.03363	1.9
241.04922	7.2
242.05597	3.0
242.47386	1.4
243.06509	9.3
244.07178	2.1
245.08095	2.4
247.09660	28.7
257.04462	18.2
257.08102	22.4
259.05939	3.9
261.09329	1.6
275.05658	9.0
275.09109	100.0
276.09579	4.5
285.03970	1.9
285.07416	2.2
289.08664	2.8
290.09549	1.4
303.04962	6.0
303.08640	13.6
311.60727	1.3
321.06009	24.3
321.09738	54.6
321.16437	2.5
322.10019	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	321.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04780	4.1
56.05035	57.3
56.79398	2.2
59.05000	2.3
60.04513	7.8
60.09833	2.3
60.33126	2.5
61.01151	47.0
65.26572	1.9
67.61148	2.2
68.28868	2.3
68.99789	7.5
69.03429	6.2
69.99637	2.8
69.99963	5.2
70.02926	3.1
70.06590	14.9
71.06899	2.6
72.08146	7.7
77.93324	2.2
81.03411	2.3
84.04480	4.5
84.08150	7.8
84.40278	2.6
85.02904	7.9
86.09686	2.8
87.04465	4.5
88.03985	67.8
91.05460	4.2
97.02883	4.1
98.06058	22.5
99.04472	3.5
102.05534	89.2
104.05320	86.4
116.07140	2.6
117.03371	5.8
120.08078	4.1
127.03912	8.7
130.05003	3.0
137.06021	2.7
145.02843	26.2
146.06340	42.8
148.06038	100.0
149.06187	2.9
155.08380	2.3
174.05859	11.2
177.05438	36.7
185.00801	8.5
189.01794	3.0
257.04434	4.2
270.38016	2.6
275.05661	2.5
277.15485	8.0
285.04041	5.8
303.05023	5.1
303.13031	4.1
321.14734	3.0
322.21347	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	321.1115
Annotation	Phenolphthalin
Peak:m/z	Relative Intensity
56.05035	51.1
61.01151	46.0
68.99801	9.2
69.03419	5.8
70.66364	4.0
72.08164	9.6
83.50296	3.0
84.04502	68.5
85.02936	4.6
89.03913	3.4
95.69494	3.2
98.06038	17.4
98.97601	4.3
102.05546	31.0
102.13773	3.1
104.05328	85.2
116.98608	4.2
117.03359	13.2
130.04994	42.8
145.02847	39.6
146.06342	53.0
148.06041	100.0
149.06006	3.7
152.98709	3.3
155.11832	3.0
174.05844	14.8
177.05449	48.9
185.00798	10.2
248.12871	3.5
251.52058	3.5
266.11691	3.9
275.05563	4.1
285.04120	3.4
305.18765	3.3
321.06134	5.0
321.14197	4.6
322.21225	31.5
333.71527	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	321.1121
Annotation	Betulinan A
Peak:m/z	Relative Intensity
54.13829	0.3
67.05478	0.6
68.99758	0.4
69.03415	0.9
71.01344	0.5
77.03374	0.3
79.05479	0.4
81.03413	2.3
81.07065	0.5
89.40540	0.3
91.05473	0.9
93.07044	0.4
95.08591	0.8
105.07010	0.6
107.08579	0.6
109.02842	0.5
109.10148	0.8
117.03374	0.4
119.04939	1.4
119.08595	0.3
121.02856	1.4
121.10148	0.4
123.00877	0.4
133.06415	0.7
139.00229	0.5
145.02824	2.4
145.22316	0.3
147.04396	3.4
149.09703	0.6
157.01324	0.7
157.06505	0.5
161.05908	0.6
165.86801	0.3
177.05450	3.3
178.07719	0.6
179.08553	1.5
189.05453	0.5
189.06967	3.6
190.07776	3.6
191.08542	0.7
193.06406	0.5
193.09932	0.3
194.07286	0.3
200.06145	0.6
201.06995	2.2
202.07735	2.3
203.08572	1.9
204.05705	0.4
205.06470	0.8
205.10069	0.4
206.07335	0.9
207.08031	6.2
213.05455	0.8
215.08549	1.1
217.06439	1.3
218.07246	14.2
219.08029	5.0
220.08629	0.5
221.06024	0.4
221.09601	0.4
228.05661	0.5
229.04369	0.7
229.06502	11.4
230.07150	2.9
231.06296	1.0
231.08330	2.2
232.08795	1.2
232.90688	0.3
233.06007	0.4
233.09566	3.6
234.06757	0.8
235.07509	13.8
236.07925	0.7
241.04926	1.0
242.07161	0.4
243.08000	1.0
245.05923	3.2
246.06741	16.8
247.07515	8.7
248.08110	1.7
249.09030	2.0
250.09836	3.9
257.06436	3.8
258.06750	4.6
259.07587	3.9
260.08252	2.3
261.09082	26.7
262.06271	0.7
262.09784	4.5
263.07007	13.7
264.07535	1.0
271.07541	0.6
272.08212	0.7
273.05457	2.1
273.09036	1.1
274.06210	12.5
275.07117	7.7
276.07657	0.8
277.08554	5.7
278.09335	13.6
279.09976	1.4
288.07727	1.6
289.08566	32.6
290.09277	15.2
291.06589	7.8
291.09888	1.7
292.07071	0.7
292.10712	0.6
293.11685	3.4
303.05026	0.6
303.10150	1.0
305.07947	2.5
306.08829	21.6
307.09195	1.1
321.06183	2.8
321.11191	100.0
322.11536	7.1
322.15265	0.6
322.20224	0.4
331.54779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1237
Annotation	Alangimarine
Peak:m/z	Relative Intensity
55.05522	0.4
56.59715	0.5
67.51521	0.5
68.99764	1.6
69.15422	2.7
71.01356	0.7
80.04987	0.7
84.05591	0.7
85.77073	0.5
91.05471	1.1
94.38291	0.6
98.22652	0.7
101.61420	0.5
103.05444	2.2
105.03348	0.7
105.07035	0.7
108.04476	0.7
111.00806	0.8
113.02411	0.6
119.04923	0.8
121.02834	2.1
121.07606	2.4
122.02376	1.6
131.04927	7.3
133.07614	1.7
139.00232	0.6
142.99718	0.8
145.02783	1.1
147.04352	0.9
149.07098	1.0
157.01306	1.5
157.06462	0.7
161.07118	3.2
173.07097	0.6
175.05023	1.2
179.08160	0.7
187.04008	0.6
189.02953	1.3
189.06552	5.5
190.04947	0.8
193.06078	8.7
205.06619	0.5
213.05414	0.9
216.74962	0.5
217.06084	100.0
218.04466	10.4
218.06448	3.0
224.52592	0.5
229.05000	1.8
231.06485	1.2
235.07085	2.7
241.04987	0.9
257.04449	5.4
259.05902	0.9
275.05350	2.3
279.11365	1.0
285.04047	1.2
303.04791	1.7
321.06113	4.8
321.12323	88.0
322.10657	4.6
337.27347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1233
Annotation	Alangimarine
Peak:m/z	Relative Intensity
66.38078	0.2
67.01896	0.4
68.99783	1.3
71.01395	0.9
71.41116	0.3
74.61279	0.2
76.24910	0.2
91.05499	0.5
92.93350	0.3
101.31693	0.3
102.85384	0.3
103.05468	1.5
105.07048	0.6
113.02372	0.4
119.04987	0.8
119.06064	0.5
121.02843	1.4
123.00829	0.6
124.98761	0.3
131.04935	4.1
133.07613	9.1
139.00276	0.8
142.99796	0.4
145.02919	0.4
147.04428	0.4
147.05528	0.5
157.01311	0.7
161.07109	3.1
163.03951	0.3
166.99779	0.3
173.07108	3.1
174.07877	1.0
175.05023	6.6
175.06500	0.4
179.08139	2.6
187.03944	0.4
189.06589	17.0
190.01303	0.3
190.06891	0.4
193.06087	42.5
194.06451	1.0
207.07814	0.3
213.05481	0.8
214.82465	0.3
217.06084	51.0
218.04463	2.7
218.06419	1.4
229.04868	1.4
230.06862	0.7
231.06537	2.0
235.07123	15.7
236.07393	0.4
239.03326	0.4
241.04904	1.2
247.06032	0.4
257.04483	4.0
259.06027	0.5
275.05524	2.2
279.11221	0.8
285.03879	0.5
299.14279	0.3
303.05038	2.0
321.03528	15.8
321.12317	100.0
322.03934	1.1
322.13013	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	321.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07308	2.4
53.00307	2.1
60.04502	1.7
61.01147	5.1
63.24459	2.1
68.99788	89.5
69.03432	2.9
69.25716	8.8
69.26128	3.5
70.06583	4.8
72.04509	23.7
72.08135	2.1
73.54523	1.7
78.03770	11.9
81.03413	7.7
85.06531	3.1
86.06040	3.8
88.02232	4.1
89.03909	2.2
91.05493	6.5
95.04945	1.8
98.23532	3.4
99.05588	4.2
102.03773	9.3
103.02164	36.5
111.00801	3.5
113.06002	3.3
114.03767	7.8
114.05524	48.5
117.03354	5.5
119.04979	3.2
119.06764	1.9
120.04807	25.0
120.08096	4.0
122.47248	1.7
129.10229	3.3
131.06358	4.6
132.04785	15.2
135.04453	2.2
137.05966	33.7
139.00256	22.9
142.08650	7.5
145.02870	12.9
147.04425	2.6
149.07426	22.4
159.05862	8.9
161.05946	2.5
163.03940	6.1
165.01825	2.9
166.99774	12.4
169.01346	3.5
170.87234	1.9
174.05843	4.4
177.05484	18.6
185.00810	77.3
186.01030	2.2
187.03955	2.6
187.14632	2.0
189.05440	2.7
191.08478	100.0
192.08858	3.1
215.03220	2.7
247.06133	5.3
249.98750	2.4
257.04489	6.6
270.25522	2.0
273.27072	2.0
274.12418	1.9
275.05566	12.3
285.03961	24.7
303.04962	19.6
303.13699	39.7
321.06198	2.5
321.09628	5.7
322.21194	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	321.1542
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.03946	2.5
54.58534	2.5
55.01865	9.4
55.05502	5.0
56.05035	6.4
59.48783	2.3
61.01139	4.6
67.05502	9.6
68.99437	2.6
68.99770	14.8
69.03420	6.3
70.06577	7.4
70.93204	3.8
72.08148	11.1
74.80712	2.4
79.05479	8.8
81.03411	15.0
81.07053	25.6
84.08112	2.4
85.02898	11.7
86.06056	2.6
86.09709	2.8
91.05474	9.2
92.67477	2.3
93.07041	3.9
95.08601	24.0
96.64577	2.3
97.02890	2.7
97.06524	100.0
104.05302	3.2
105.07028	2.4
106.35511	2.6
109.02876	4.8
111.04433	7.2
111.64240	2.5
113.60660	2.4
115.05451	2.9
116.07083	3.6
117.03368	9.2
117.07025	2.7
120.08085	11.4
122.06045	7.4
123.04504	2.4
123.08078	24.2
126.39822	2.4
136.07571	17.6
137.05972	7.5
139.00276	4.2
141.09094	79.0
145.02841	27.7
150.05408	3.1
152.07014	4.6
161.68257	2.8
164.07053	25.3
166.99704	5.0
170.73872	2.1
173.05954	3.8
174.08698	4.6
175.07492	3.2
177.05449	42.9
177.10266	5.4
181.08556	7.6
185.00842	13.1
193.08572	4.4
203.03534	2.6
214.26382	2.8
275.05618	2.7
285.03882	7.0
285.12378	5.8
288.79211	2.4
303.11938	25.4
321.09854	4.7
321.12634	11.9
322.21432	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	321.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27148	0.9
64.47739	0.8
69.28386	1.5
69.28678	5.1
79.05492	1.3
81.03393	1.5
81.07053	1.0
86.09696	93.4
87.10014	1.0
89.10696	0.9
91.05463	2.5
93.07026	1.2
98.22729	2.2
99.93302	0.9
103.05464	5.3
107.04945	1.1
107.63296	0.8
114.90309	1.1
115.44720	0.9
119.04912	4.5
120.08092	100.0
120.80878	0.9
121.02903	1.0
121.08444	2.9
128.10704	44.8
131.04929	2.3
131.08484	0.9
133.06496	3.9
145.02820	2.2
147.04399	11.1
149.05966	2.7
149.89476	1.0
156.10165	10.9
166.08617	46.5
167.08939	1.0
177.05443	2.9
187.07547	1.6
214.21025	0.9
217.48209	0.8
231.06375	1.1
257.04443	2.3
275.05478	1.2
275.09149	2.2
306.05252	4.3
321.06332	1.8
321.16760	1.4
322.25885	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	321.2425
Annotation	19(S)-HETE
Peak:m/z	Relative Intensity
50.14064	3.4
55.01868	3.9
55.05504	19.8
57.07066	4.9
61.41768	3.4
67.05505	53.3
67.86491	3.3
68.99794	3.2
69.03418	8.0
69.07065	20.1
69.09234	21.6
79.05489	28.3
81.07058	63.2
83.04958	3.7
83.08179	3.2
83.08623	9.0
84.08133	5.8
91.05467	30.4
93.01047	10.6
93.07049	55.2
94.06554	9.2
95.04959	6.4
95.08605	89.2
97.06526	7.7
103.40514	2.7
105.06440	4.3
105.07028	47.2
107.08588	52.1
109.06524	3.3
109.10151	42.3
111.08027	4.1
115.05458	3.9
117.07014	8.4
118.06558	5.3
119.08575	52.1
121.06485	5.3
121.10139	38.3
122.06030	31.5
123.08084	6.9
123.11715	20.5
127.11147	3.0
129.07008	7.6
130.06560	9.1
130.08621	7.0
131.08568	25.0
132.08089	3.1
133.10139	37.0
135.11681	20.1
135.27864	3.0
136.07573	69.2
137.09584	3.9
137.13240	4.2
141.06854	3.3
142.07742	2.9
143.08565	14.1
144.08090	4.9
144.09300	4.0
145.02849	5.5
145.10126	37.0
146.06009	19.7
147.11674	37.1
149.09723	4.1
149.13269	14.4
155.08603	7.5
156.09297	4.1
157.10170	17.6
159.11684	38.0
161.13239	20.5
163.14816	13.5
164.07054	100.0
169.10094	13.3
171.11673	20.5
173.13242	31.1
175.14827	9.2
177.05476	10.2
177.12709	6.6
179.14233	4.0
182.08124	70.5
183.11703	10.6
185.13228	21.2
187.14798	15.8
188.07030	19.3
188.15407	3.6
189.12752	4.0
189.16414	6.3
191.14378	6.0
197.13249	11.8
199.14804	10.2
201.16377	13.7
203.14297	5.0
203.17949	3.6
205.15891	4.3
211.14821	12.5
213.16377	7.8
215.14268	5.1
215.17917	11.3
217.15810	4.6
225.16383	10.1
231.17482	4.6
233.18964	6.4
239.17949	5.5
241.19447	5.8
242.11865	7.9
255.20967	4.6
257.22681	5.3
259.14413	28.0
267.21124	25.7
273.22177	5.1
285.22092	51.7
286.22427	5.9
289.02365	4.4
303.23218	42.0
321.11371	8.5
321.24146	11.4
322.21176	7.6
324.52466	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	321.2423
Annotation	(S)-12-Hydroxygeranylgeranic acid
Peak:m/z	Relative Intensity
53.03952	2.6
55.01869	1.9
55.05510	13.8
57.03457	2.4
57.07071	2.8
57.19130	1.9
65.03943	4.3
67.05505	25.8
68.99786	8.4
69.03426	7.7
69.07063	14.3
69.40136	2.2
69.43308	1.8
71.04986	2.3
79.05491	21.7
81.03413	5.3
81.07059	37.8
83.04980	3.0
83.08616	6.0
85.02873	3.1
85.06547	2.1
91.05479	100.0
91.06059	4.9
93.07046	39.5
95.04980	2.9
95.08607	47.7
95.09216	2.6
96.08885	2.1
97.06535	10.3
97.10181	3.2
98.23420	5.1
105.07030	31.9
107.08594	31.4
109.06525	2.6
109.10136	22.7
111.08102	3.4
117.06989	9.9
119.04958	2.1
119.08583	29.3
121.10139	22.7
123.08072	2.6
123.11696	11.6
125.09667	2.3
129.07031	4.6
131.08560	15.3
133.10129	24.5
135.11685	12.4
135.69801	2.1
137.06049	2.8
137.09615	3.9
137.13269	3.1
139.00269	3.4
141.07007	3.1
142.07852	2.4
143.08577	8.0
144.09157	2.0
145.02812	4.5
145.10112	21.3
147.11674	17.3
149.13278	7.8
151.11174	2.8
155.08533	4.6
157.10130	13.3
158.10893	2.1
159.11697	23.2
160.12419	1.8
161.09563	1.9
161.13254	13.9
163.11160	2.5
163.14828	5.1
169.10078	3.5
171.08058	2.3
171.11673	11.2
172.12511	2.5
173.13266	19.0
175.14819	5.2
177.05492	5.9
177.12772	3.9
183.11668	6.6
184.12424	2.4
185.00844	3.8
185.13268	10.1
187.14796	8.0
189.12813	2.7
189.16335	2.5
191.14288	5.4
193.15933	2.9
197.13286	4.1
199.14874	6.4
201.16388	5.3
203.14326	2.7
205.15913	3.5
207.17397	2.2
211.14783	6.5
213.16321	5.6
215.14285	2.5
215.17969	6.5
217.15919	4.3
225.16324	6.0
229.15916	4.8
231.17458	2.6
233.18956	4.6
243.17516	3.1
245.31354	1.9
255.21278	3.7
257.04559	3.4
257.22665	4.8
267.21039	12.0
273.22098	3.6
278.05792	2.7
285.22116	32.9
286.22598	3.1
294.18518	2.2
303.23178	28.8
321.07498	5.9
321.18735	2.6
321.24136	10.4
322.21304	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	321.2423
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03928	0.6
55.01867	0.8
55.05511	8.4
57.03393	0.5
57.07070	3.0
64.72964	0.4
65.03935	0.4
67.05492	4.5
69.07061	6.3
69.10742	2.9
71.04988	1.0
71.08619	2.2
73.06515	0.5
78.59607	0.4
79.05499	4.1
80.94865	0.4
81.07050	7.4
83.04975	0.7
83.08616	3.2
84.05625	0.7
85.06535	1.3
91.05474	1.9
93.07039	5.4
95.08600	10.4
95.48035	0.4
97.06518	0.8
97.10165	2.3
99.08087	1.3
104.99313	0.6
105.07021	2.5
107.04907	0.5
107.08583	4.5
109.06514	16.7
109.10128	2.9
111.08086	1.9
117.06997	0.6
119.08546	3.4
121.10127	4.2
122.07269	1.4
123.08061	57.4
123.11699	1.2
124.08409	1.2
131.08548	1.5
133.10162	2.0
135.08037	6.6
135.09044	0.5
135.11726	1.5
136.08868	0.5
137.09625	3.3
137.13261	0.5
138.10049	0.4
139.11182	1.5
145.10112	1.8
147.11703	1.6
149.09616	1.5
149.13226	0.8
159.11732	1.1
161.13277	0.9
163.11168	1.0
163.14809	0.4
165.12700	0.6
165.53795	0.4
167.14259	0.7
171.11765	0.4
175.14874	0.7
176.34616	0.3
177.12744	0.5
179.14294	49.0
180.14621	1.8
185.13124	0.4
187.14796	1.2
191.14406	0.5
193.15912	1.1
205.15939	1.0
208.03075	0.5
219.17453	0.5
223.16862	0.5
229.15939	0.5
247.16823	0.7
261.22073	1.0
265.15106	0.9
265.17972	15.3
266.18341	0.8
279.19629	0.6
303.23096	5.1
321.24216	100.0
322.24524	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43672	0.2
53.71946	0.2
56.96563	1.4
56.97355	0.2
72.08138	0.3
78.63902	0.2
82.99911	0.2
84.08125	0.2
98.97574	6.1
101.00866	0.5
116.98615	3.9
119.01929	1.0
122.97741	0.2
134.99628	1.3
137.02940	0.2
140.98827	0.4
153.00732	0.2
158.99881	1.6
177.00938	14.0
178.01047	1.5
182.99734	1.7
194.98438	0.3
196.23941	0.2
196.90907	0.2
196.94498	0.3
201.00903	6.8
202.01012	0.6
212.92241	0.4
214.91985	0.7
214.95609	0.5
216.98740	0.6
218.03613	0.6
219.01984	100.0
220.02103	8.7
220.04318	0.3
221.02318	0.6
224.02461	0.3
230.93318	0.4
232.93062	0.4
232.96602	0.4
234.99715	1.3
235.99840	0.2
236.92365	0.3
236.99478	1.8
237.03047	0.3
238.95499	1.7
240.98775	0.2
242.03580	3.9
243.03839	0.3
254.93216	0.3
256.93179	0.9
256.96594	7.9
257.96643	0.8
258.99756	2.5
259.99991	0.4
260.04654	0.7
261.03000	2.3
261.97256	0.2
262.03165	0.3
262.95642	0.6
263.02850	0.3
270.91153	0.3
272.94373	0.7
273.94504	0.2
274.94113	2.4
274.97662	2.2
275.97894	0.3
276.04565	0.2
276.97992	0.3
277.00809	3.2
278.00998	0.5
279.00717	0.3
279.98178	1.4
280.96478	1.7
282.99969	0.6
288.92172	0.2
289.57123	0.2
290.95392	0.4
292.95096	1.1
297.99213	0.5
298.18576	0.3
298.97653	33.6
299.18921	0.2
299.97769	2.9
300.97900	0.3
301.01044	0.7
316.95132	0.8
316.98749	1.1
317.95374	0.2
317.98834	0.2
321.99240	2.9
322.19711	0.3
322.99326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69965	1.7
71.39728	2.8
74.02440	2.5
75.02694	6.3
84.04501	13.8
90.03771	30.9
94.06573	1.6
94.93009	13.2
98.24918	1.7
112.03941	3.7
112.89622	11.1
114.89336	4.4
130.04990	20.0
135.98279	1.8
138.05495	2.4
148.04170	2.3
160.49533	1.7
176.03743	48.2
190.01253	19.6
193.06473	8.5
223.66324	1.8
227.12787	2.1
247.07384	3.7
247.91255	3.8
248.89619	23.7
322.05447	100.0
322.11365	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	322.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.9
58.06586	2.5
58.14725	2.6
59.50208	2.1
60.05645	28.0
64.66140	2.3
68.99780	5.1
70.06583	6.5
70.55998	3.9
72.08152	68.2
74.93159	18.2
76.00983	2.1
84.04496	3.8
84.08142	6.6
85.02915	3.6
89.03901	4.7
89.10846	2.4
90.03457	2.8
97.02870	5.3
97.07665	5.5
98.06077	3.2
98.12811	2.3
98.98432	3.2
112.11246	6.5
114.10284	37.1
114.10990	4.1
115.08730	3.1
117.03354	19.5
120.08115	7.1
125.05994	6.5
126.01063	38.2
127.01862	5.4
129.10258	2.3
129.13864	4.4
129.74738	2.2
131.12918	97.9
138.05299	5.1
143.03145	24.9
144.02110	32.1
145.02841	66.5
146.16570	5.8
149.05991	6.3
151.03886	25.3
157.10925	2.6
160.03688	96.2
160.07425	2.4
172.01678	2.7
175.03691	2.6
177.05455	92.1
178.05786	3.3
185.04205	100.0
193.04991	8.2
202.04730	18.7
203.05193	4.5
204.93350	5.1
222.94441	4.0
225.12103	8.5
234.11292	5.2
248.12868	8.9
264.12357	2.8
278.09973	3.0
280.90579	9.1
283.19751	2.2
298.91595	6.6
304.05856	4.4
305.18646	7.3
322.08975	85.9
322.17352	21.9
322.21289	69.5
323.09399	3.2
323.17136	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1065
Annotation	S-Methyl GSH
Peak:m/z	Relative Intensity
55.01860	4.5
55.60434	0.3
56.01397	0.4
56.05022	1.0
56.96559	0.5
61.01153	0.7
69.40312	1.4
70.06590	1.1
73.01147	2.0
73.02912	0.7
74.00658	1.8
74.02440	6.5
75.01447	0.6
75.02699	12.3
76.85123	0.3
77.00645	0.4
83.06102	0.9
84.04499	33.0
84.08105	0.4
85.04843	0.4
86.09705	0.5
90.03773	61.8
91.04124	0.5
98.97579	1.0
99.05576	0.6
101.00581	2.5
102.03766	0.9
102.05537	0.7
103.58415	0.3
109.34858	0.3
111.51038	0.4
112.03964	8.6
116.98553	0.6
119.01633	1.6
119.92477	0.3
120.08080	1.1
129.06599	2.6
130.04994	38.1
131.05328	0.5
134.02689	0.8
145.05974	0.3
148.04289	3.4
175.11887	0.4
176.03751	100.0
177.04137	1.7
190.01268	1.5
193.06415	18.6
201.06917	0.8
229.06404	1.1
247.07465	8.1
248.03180	0.9
256.97449	0.4
259.07446	1.4
280.09564	0.6
304.09537	0.7
305.08035	1.2
322.05411	5.5
322.10669	3.0
322.18680	1.4
340.01926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1071
Annotation	Teliglazine
Peak:m/z	Relative Intensity
61.18515	0.1
61.74451	0.1
62.64593	0.1
65.03963	0.2
68.05012	0.3
68.57658	0.1
68.99776	0.9
69.05825	0.1
78.84022	0.1
79.05467	0.4
80.05009	9.3
81.05313	0.2
84.05625	3.4
88.18871	0.2
91.05493	0.8
92.05022	0.6
93.03381	0.1
94.02911	0.9
94.06553	0.3
95.01318	0.2
98.10810	0.1
98.23500	0.3
98.41298	0.1
103.05458	1.6
104.04951	0.2
105.03371	0.4
106.02878	0.4
106.06538	1.6
107.04894	0.1
108.04467	6.2
111.00734	0.2
116.05009	0.2
118.06518	0.2
120.04459	3.1
121.02879	0.2
121.04788	0.1
122.06026	1.4
123.00739	0.3
129.06967	0.2
131.04915	2.0
132.04465	0.3
132.05289	0.3
133.02760	0.2
134.02338	0.2
134.05074	0.2
134.06012	2.7
144.04451	0.5
145.02809	0.3
146.05927	0.2
148.03920	3.1
150.05479	1.4
152.03380	0.2
161.02348	0.8
162.05498	4.6
163.03864	0.9
166.04999	0.2
169.01259	0.2
172.03909	0.8
173.02327	0.2
176.03419	7.6
177.03760	0.2
189.01788	1.2
190.01329	0.8
190.04977	10.1
191.03375	0.8
191.05185	0.3
194.04472	1.7
195.04526	0.1
200.03392	0.8
201.01852	0.4
207.02853	2.8
208.02203	0.2
218.04463	100.0
219.02742	0.3
219.04805	3.3
219.06865	0.3
231.05283	0.4
236.05489	1.5
237.09015	0.2
280.09668	1.8
281.09927	0.2
293.08051	5.2
294.08331	0.3
320.75470	0.1
322.10706	50.3
322.16864	1.4
323.11066	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	322.1075
Annotation	Teliglazine
Peak:m/z	Relative Intensity
53.03944	0.1
54.57430	0.1
55.01849	0.3
68.05006	0.5
68.99782	0.8
69.05792	0.4
70.02926	0.2
70.55591	0.1
70.55916	0.1
71.57510	0.1
77.03957	0.2
79.05482	0.5
80.05016	8.8
84.05629	1.7
91.05473	0.6
92.05000	0.8
94.02922	1.2
94.06569	0.7
95.04951	0.3
96.04501	0.2
101.61803	0.1
103.05472	1.5
104.04977	0.5
105.03386	0.4
105.07040	0.1
106.02892	0.4
106.06564	1.4
107.04912	0.2
108.01393	0.1
108.04476	6.2
116.04962	0.2
120.04459	3.1
121.02825	0.2
122.02318	0.1
122.06028	2.8
123.00774	0.2
124.03928	0.3
126.05469	0.3
131.04927	2.9
132.04428	0.3
132.05272	0.3
133.02834	0.3
133.05206	0.1
134.02345	0.2
134.06012	2.9
144.04443	0.5
145.02818	0.4
146.05995	0.3
148.03929	3.2
150.05508	2.1
151.00273	0.1
152.03465	0.3
161.02338	0.4
162.05499	4.8
163.03909	1.0
172.03946	0.5
173.02316	0.1
175.00203	0.1
176.03432	7.5
177.03751	0.3
177.05432	0.4
178.01401	0.2
179.03448	0.2
189.01846	0.8
190.01352	0.5
190.04991	9.7
191.03375	1.3
191.05576	0.7
194.04485	2.0
195.04330	0.3
200.03368	0.5
201.01819	0.2
207.02876	2.3
208.02361	0.2
208.05991	0.2
209.04459	0.2
213.05397	0.2
218.04472	100.0
219.02837	0.6
219.04816	3.3
231.05162	0.2
236.05511	2.4
237.05829	0.1
237.08980	0.2
244.05754	0.1
255.06615	0.3
267.78403	0.1
280.09692	2.4
293.04770	0.2
293.08060	4.0
294.08194	0.3
294.11316	0.2
304.09637	0.3
322.10712	49.6
323.11151	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	322.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
51.02370	0.5
53.03930	0.6
55.01865	0.4
55.05511	0.2
57.07067	0.5
60.96981	0.2
67.05493	0.3
69.11297	0.8
69.11724	0.7
71.23078	0.2
77.03951	0.6
78.03435	1.2
79.05492	0.8
84.05620	0.7
89.06038	0.2
91.05459	2.6
94.04187	0.6
95.04955	3.5
95.08527	0.2
96.04482	100.0
97.04267	0.3
97.04787	1.3
103.05428	0.5
105.04509	1.5
105.07018	6.9
106.07825	0.3
107.04913	1.2
107.49545	0.2
115.05437	1.8
119.04930	9.9
120.05243	0.3
128.05373	0.3
128.06189	1.5
129.06984	9.2
130.07368	0.2
131.04953	0.2
133.06467	4.7
134.07260	14.4
135.07597	0.2
136.07558	18.0
137.07961	0.2
141.06967	3.9
143.08556	0.4
153.06926	0.3
155.06024	0.4
157.06496	1.9
165.06960	0.6
166.07837	0.5
169.06491	0.4
170.07251	0.5
171.07957	0.4
179.10811	0.2
181.06491	1.0
181.10147	0.5
183.08177	0.2
184.05099	0.2
185.05957	15.0
186.06494	0.7
194.07303	0.8
198.06682	0.3
199.07503	2.4
199.11203	0.8
203.19096	0.2
204.72899	0.2
209.09596	1.3
212.08305	0.6
227.10634	14.9
228.11002	0.7
322.14325	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	322.1437
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
50.01591	0.2
51.02373	0.6
52.62616	0.1
53.03936	0.3
69.67307	0.6
77.03933	0.9
78.03448	2.0
79.05492	0.1
81.53390	0.1
91.05479	1.4
95.04965	2.3
96.04485	100.0
97.04214	0.2
97.04800	1.5
105.04517	0.9
105.07021	1.8
107.04955	0.5
115.05457	1.0
119.04932	7.3
128.06213	0.9
129.06995	7.6
130.07347	0.2
133.06483	2.4
134.02060	0.1
134.07263	7.7
135.07539	0.2
136.07558	1.6
141.06989	1.5
153.06999	0.3
155.06006	0.2
157.06479	1.3
165.06981	0.2
169.06456	0.1
170.07275	0.5
171.08023	0.3
181.06494	0.3
185.05965	13.0
186.06517	0.6
194.07225	0.4
199.07538	1.4
199.11282	0.2
209.09644	0.3
227.10643	9.1
228.10858	0.2
238.14726	0.1
322.14346	2.0
323.14923	0.2
330.02637	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	322.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.0
55.05508	1.2
56.05027	0.3
57.03394	0.0
57.04556	1.7
57.07071	5.7
58.07403	0.1
59.04995	5.5
63.02378	0.1
67.05508	0.2
69.07059	0.9
71.08630	0.4
73.06559	0.2
79.05490	0.1
81.07076	0.1
83.08115	0.0
83.08618	2.0
84.05619	100.0
84.16893	0.1
85.05331	0.3
85.05955	0.8
85.10183	0.1
87.08120	0.1
89.03881	0.2
91.05450	0.2
95.05003	0.1
95.08604	0.1
97.06487	0.1
97.10187	0.0
99.00031	0.1
103.05444	0.5
109.10132	0.2
112.99993	0.3
113.01560	0.1
115.04616	0.1
115.05444	2.2
116.06229	2.8
117.07004	0.1
119.04957	0.1
119.08549	0.0
125.01534	24.4
126.01871	0.6
127.11197	0.2
128.06201	0.1
129.06979	0.4
130.07784	0.8
133.06432	0.2
135.04355	0.0
137.01524	0.2
139.03078	2.7
140.03500	0.0
141.01016	0.1
143.06075	0.2
143.08510	0.1
144.09308	0.2
145.02846	0.1
149.01546	0.1
151.03078	8.7
152.03384	0.2
153.02797	0.1
153.04662	0.1
155.02605	0.1
165.04654	2.1
177.05550	0.1
179.06190	0.6
180.06508	0.0
181.07735	0.3
183.05740	0.1
191.10580	0.1
221.10953	0.0
222.18518	0.1
238.89462	0.0
252.19598	0.1
322.16754	42.1
323.17084	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	322.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
57.04552	1.3
57.06799	0.3
57.07074	5.0
59.05005	4.4
69.07064	0.8
70.06596	0.4
71.08654	0.4
71.41779	0.3
72.08128	0.3
76.99539	0.3
78.42933	0.3
83.08607	1.8
84.05626	100.0
85.05375	0.3
85.05949	0.5
89.03909	0.3
91.05472	0.4
94.87045	0.2
96.96156	0.3
98.98464	4.2
103.05482	0.5
107.08571	0.3
109.10170	0.2
113.00021	1.5
113.95997	0.2
115.05435	2.0
116.06242	2.3
117.03411	0.4
125.01543	24.4
126.01875	0.5
129.07033	0.7
130.07773	0.8
133.06531	0.3
136.07561	0.7
137.01482	0.3
139.03093	2.3
145.02876	1.2
147.04489	0.4
151.03082	9.4
165.04666	2.2
177.05421	1.5
179.06221	0.7
181.07787	0.3
192.92223	0.3
195.35587	0.3
203.03403	0.4
224.90294	0.4
249.08733	0.3
286.94016	0.3
291.10065	0.3
304.04880	0.3
322.16794	52.8
323.17017	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	322.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62996	0.2
53.03952	0.2
53.36444	0.2
55.05509	2.0
56.05024	0.4
57.04552	1.9
57.07071	9.0
58.05278	0.2
59.04696	0.4
59.04994	7.2
67.05488	0.5
69.07059	1.6
69.36545	1.1
70.06581	0.4
71.08623	0.7
75.83983	0.2
80.05452	0.2
81.07070	0.2
82.63454	0.2
83.08614	3.9
84.05618	100.0
85.05315	0.3
85.05953	1.0
89.03886	0.4
93.07050	0.3
95.04962	0.2
95.08589	0.5
95.42972	0.2
98.98468	0.3
99.08106	0.3
103.05460	0.7
108.32201	0.2
109.10146	0.2
115.05439	4.2
116.06224	5.1
117.03325	0.3
120.08144	0.3
121.84974	0.2
125.01530	30.1
126.01868	0.6
127.11189	0.5
129.07021	0.6
130.07759	1.0
133.06474	0.4
137.01529	0.3
139.03081	4.3
143.06075	0.3
143.08560	0.2
144.09406	0.2
145.02847	0.8
147.21861	0.2
151.03073	21.8
152.03362	0.5
153.04634	0.4
156.17497	0.2
161.10875	0.2
165.04652	3.8
165.05975	0.3
170.82140	0.2
177.05479	1.0
179.06204	1.1
181.07735	1.3
183.05724	0.4
307.02124	0.2
322.16757	20.4
322.20633	0.7
322.99484	0.2
323.16968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12134	11.9
56.04975	11.1
56.13885	12.3
66.85113	14.1
70.06583	75.2
81.53397	12.8
87.43681	14.2
90.03790	11.4
91.56387	12.5
109.37032	13.2
112.08740	32.5
130.09755	100.0
181.95343	13.5
240.01273	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	322.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.01863	3.3
55.05504	4.3
56.13334	1.0
57.03414	1.0
60.05615	1.0
63.77139	1.0
67.05495	5.0
68.99767	1.8
69.03424	5.3
69.07065	10.8
69.21925	4.1
69.22343	2.3
70.06580	3.4
71.04983	1.8
72.08158	2.2
74.02425	1.5
79.05493	10.9
81.03415	2.7
81.07037	6.0
83.04983	6.3
83.08558	1.1
84.05592	1.1
85.02879	1.2
86.09698	100.0
87.04452	1.4
89.03918	1.5
91.05482	15.7
92.53032	1.0
93.07034	8.4
95.01431	1.2
95.04943	4.9
95.08613	2.4
97.06548	2.4
98.06032	2.9
103.05448	1.3
105.07028	22.2
107.04961	4.8
107.08572	11.6
109.06506	3.6
111.04444	1.2
115.05442	2.5
116.06250	3.0
117.03376	6.8
117.07011	21.0
119.04929	1.3
119.08587	6.8
120.05272	1.3
120.08080	2.2
121.02859	3.2
121.06496	5.6
121.10136	6.0
122.03179	1.4
123.08113	1.4
126.01052	4.4
127.01485	1.6
127.03881	1.8
128.06210	1.4
128.10732	2.7
129.07011	5.3
130.07799	10.1
131.08556	49.6
132.10185	34.2
133.10194	1.1
135.08054	6.5
135.11664	2.0
137.05977	2.7
137.13278	1.1
137.73190	1.0
143.08557	3.6
145.02831	17.8
145.06480	2.3
145.10118	43.0
146.10503	1.8
147.04413	1.7
147.08044	5.8
147.11636	7.4
149.05992	1.7
149.09608	30.1
150.10010	1.6
151.07582	1.2
155.08598	2.0
158.01743	1.3
163.11174	10.1
173.09648	11.3
177.05457	27.6
178.05719	2.4
183.07953	1.0
186.14946	2.8
191.10646	16.4
206.04778	3.4
206.15381	3.0
230.05231	1.8
232.06897	3.4
233.06807	1.2
242.05336	2.0
252.15964	1.5
258.04736	6.7
258.18484	14.6
276.05823	3.9
276.19547	28.4
277.20117	1.5
286.10910	2.1
304.05246	2.7
304.12079	10.6
304.15204	1.5
304.15775	1.4
304.19025	12.1
305.18066	1.4
315.96082	1.2
322.06271	10.7
322.09360	1.4
322.13364	3.8
322.16879	1.7
322.20807	15.5
323.12650	2.0
323.18185	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	322.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23404	0.3
58.06595	2.8
63.02368	0.7
63.59793	0.3
67.54951	0.3
68.99777	1.6
70.06581	0.8
71.41357	0.4
72.08151	13.3
73.05845	0.3
75.09242	1.1
83.04975	0.4
84.08134	2.8
89.03907	4.9
91.05473	1.0
95.04962	0.7
97.17881	0.4
106.04205	0.5
107.04958	0.4
112.11237	7.5
113.11569	0.5
117.03373	20.3
118.03731	0.4
119.04956	0.5
121.06534	0.4
129.13852	3.6
131.31342	0.4
134.03642	0.9
135.04408	0.9
143.11707	0.4
145.02841	74.9
146.03168	2.8
146.16515	5.4
147.04370	0.9
149.05972	6.4
155.11771	2.4
157.13364	0.4
160.07559	0.7
163.03847	0.8
170.69643	0.4
171.04428	1.5
172.14415	0.7
177.05460	100.0
178.05823	4.7
178.08466	0.5
185.00772	0.5
186.05536	0.5
187.03954	0.9
188.04248	1.7
192.13902	0.6
234.11226	6.8
235.11522	0.5
241.04968	2.7
248.12799	7.8
251.13853	0.5
257.04520	0.5
258.04779	2.3
265.15546	0.7
269.04391	1.3
286.04257	3.0
304.19995	0.6
305.18570	7.3
322.21222	72.5
323.21823	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	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.9
58.86145	1.4
60.58466	1.6
60.58788	1.4
62.06084	100.0
67.05502	15.4
69.07047	6.7
69.81875	3.8
72.12560	1.6
79.05508	12.2
81.07043	17.9
83.08617	2.6
83.59508	1.8
84.05621	32.1
91.05489	3.3
93.07045	15.2
95.08601	14.0
105.07030	5.9
107.08588	6.9
109.10134	4.5
116.98604	2.2
119.08551	3.7
121.10129	7.2
125.01548	2.9
131.08553	3.3
133.10136	4.0
135.11678	4.0
137.05997	1.7
145.10095	2.9
154.41455	1.7
161.05864	3.6
177.05424	2.7
231.07936	4.0
259.07700	2.5
291.10141	5.7
305.24689	23.3
322.16757	10.2
322.27307	13.1
323.12650	3.2
323.27478	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	323.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
58.06605	0.4
60.05635	0.5
63.66339	0.2
67.05499	0.4
70.92637	0.3
70.92976	0.3
72.08149	1.1
75.04437	0.3
78.99498	6.5
79.05503	0.2
81.07044	0.3
91.05466	1.7
92.05860	0.3
95.04935	0.3
101.71619	0.3
107.04940	0.4
109.00555	0.8
113.00018	0.4
114.10281	0.7
127.01557	100.0
128.01924	0.5
128.20705	0.3
131.04921	0.2
131.12949	1.7
141.03104	46.9
142.03423	0.6
143.03487	0.2
145.02769	1.2
147.04422	0.4
151.03940	0.3
169.02602	4.8
172.97662	0.4
175.03937	0.3
175.07492	0.6
177.05434	1.4
178.05768	0.2
197.02043	1.5
202.98676	27.5
203.06982	0.6
203.99194	0.4
229.04709	0.4
235.01291	34.4
236.01730	0.4
270.21600	0.3
277.10614	0.4
295.09659	0.3
305.10135	1.0
305.13229	0.3
322.24176	0.4
323.02829	1.0
323.08862	0.6
323.11987	1.0
323.17004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27266	1.0
55.05488	1.8
67.05488	2.9
69.07063	3.1
70.06589	25.6
70.47771	2.8
71.01321	1.7
72.04506	3.9
75.64174	1.1
80.05032	1.5
82.12421	1.3
91.05461	3.2
95.04936	2.0
97.80279	1.3
103.05463	3.2
105.07005	2.6
107.08604	1.8
110.09691	1.3
112.07599	6.6
119.04871	2.5
121.06511	7.7
122.09645	1.6
122.70062	1.3
125.09622	1.3
131.04979	6.6
134.05974	2.1
137.05945	4.4
138.47813	1.5
145.02867	3.0
147.04413	9.4
157.01317	4.9
161.05956	8.0
164.15958	1.4
166.99786	1.7
175.11301	1.7
177.05464	6.3
178.07831	2.3
179.08513	1.8
183.11317	5.1
185.00700	1.7
186.96385	29.4
193.01385	1.8
194.15382	1.9
199.07631	1.8
202.07750	2.9
203.08543	3.2
204.97450	61.1
218.04515	4.4
218.99043	3.9
219.04759	4.6
219.07964	1.6
222.98505	5.9
231.07999	5.8
232.47943	1.3
248.08386	2.2
259.05951	4.6
260.08386	1.9
263.07031	2.2
263.10605	2.5
276.07788	3.3
277.08585	2.1
281.08014	1.5
287.05405	3.1
291.02634	100.0
291.09760	7.6
292.02933	4.2
295.09619	1.6
309.03699	22.4
310.10785	8.8
323.01382	3.3
323.05121	6.3
323.12558	7.9
324.12247	3.6
324.22958	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	323.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05499	1.3
57.03430	0.6
57.66570	0.7
63.02375	0.7
68.99770	0.7
69.03429	2.9
70.06592	3.1
71.01328	0.8
71.04962	0.9
71.42719	0.5
81.03436	0.6
83.04976	3.8
85.02898	1.6
87.62532	0.6
89.03918	7.9
91.05467	1.3
99.04425	1.4
103.05460	2.0
105.03365	1.1
106.16447	0.6
106.88397	0.5
111.04468	2.6
112.07574	0.9
117.03374	24.7
117.04208	1.3
119.05019	0.6
121.02895	0.7
121.06514	1.0
127.03916	2.0
131.04904	4.5
134.03618	1.6
135.04387	1.5
137.05972	4.4
143.04939	0.5
145.02841	57.2
146.03169	1.6
147.03183	0.6
147.04356	1.2
149.05968	8.5
161.05968	0.7
162.03177	0.6
163.03891	1.3
167.48840	0.6
175.07562	1.0
177.05464	100.0
178.05804	3.3
179.07037	3.7
186.05405	0.6
189.05457	0.7
191.06998	1.3
195.06531	1.2
203.03328	0.7
203.06964	1.2
204.02928	0.6
205.04880	2.7
220.06053	2.4
221.00604	0.5
222.57292	0.5
231.06541	1.7
233.08057	0.7
251.07098	1.2
259.09625	0.7
279.06537	1.6
287.09021	3.5
291.10120	1.0
305.10220	2.2
307.05923	1.2
323.08435	1.0
323.11850	5.1
324.12198	2.1
324.22794	1.0
343.44818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02988	0.5
55.05498	3.8
60.05642	28.0
68.99792	4.5
70.42317	1.0
72.08148	59.8
73.06539	1.6
73.08458	0.6
86.00763	0.4
89.10791	0.5
96.19775	0.4
97.07642	6.9
98.06042	5.5
110.03664	2.5
110.20319	0.5
114.10281	39.1
115.08685	1.8
125.05984	5.4
131.12914	100.0
132.13268	1.2
139.08640	0.6
140.07080	1.0
140.08202	1.3
140.65952	0.4
151.03886	22.4
157.10822	3.2
169.57727	0.5
178.05806	0.6
192.06509	0.8
193.04941	7.1
194.09084	0.4
216.37369	0.5
248.08670	0.4
263.13904	0.8
264.12204	1.4
323.17096	33.6
324.17487	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02989	0.7
55.05513	3.8
56.88092	0.4
57.22112	0.5
57.24112	0.5
58.06629	0.4
58.71357	0.4
60.05646	25.9
64.41029	0.4
65.42203	0.4
66.67717	0.3
68.99787	3.7
69.03419	0.7
69.32359	1.0
69.32774	1.4
70.06593	0.8
71.01363	1.2
72.08152	57.7
73.06551	2.4
84.08153	0.5
85.02921	0.9
88.96365	0.4
89.10807	0.9
91.05484	0.7
97.02890	0.5
97.07645	6.3
98.06052	4.9
98.23466	0.6
107.04953	0.4
110.03658	2.4
112.11227	0.7
114.10285	37.8
115.08691	1.9
115.10643	0.7
117.03378	0.6
118.03710	0.7
119.04942	1.8
120.08098	0.5
121.06509	3.0
125.05987	4.9
131.12921	100.0
132.13313	1.1
139.00279	0.5
139.08760	0.5
140.07126	1.0
140.08208	1.6
145.02873	2.1
146.03160	2.3
147.04402	7.1
149.05995	0.5
151.03897	21.3
151.04895	1.0
152.04309	0.6
154.27022	0.4
157.01334	2.5
157.10872	3.2
161.02142	2.7
166.99800	0.7
177.05424	3.2
177.06750	0.4
178.05823	3.1
181.64363	0.4
185.00873	1.0
185.04219	3.1
187.47639	0.5
190.09782	0.5
192.06563	0.7
193.04967	7.9
203.01833	0.4
203.05290	1.3
235.11578	0.6
241.13014	0.4
246.02173	0.4
259.05963	3.4
263.13965	1.0
264.12286	1.6
287.05511	1.3
305.06461	1.3
306.14560	1.0
323.07309	4.0
323.11023	6.8
323.17133	33.2
323.21387	3.6
324.17355	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	323.9397
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90507	1.4
94.92973	0.6
109.10164	0.5
112.18104	0.7
116.74053	0.6
139.91437	1.2
172.90849	0.6
191.06746	0.5
195.36353	0.5
204.97729	0.7
222.98808	100.0
223.99110	2.0
248.89745	0.7
324.04929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.123
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
55.05492	1.1
60.31958	0.3
67.05513	1.9
68.01386	0.4
68.05007	0.8
68.99767	0.8
69.07071	2.3
69.63200	1.0
70.06592	15.2
72.04513	1.8
79.05460	0.8
80.04979	0.4
81.07044	1.0
82.06575	10.3
84.08175	0.3
88.94793	0.3
91.05470	1.3
92.99759	0.6
93.07024	0.6
94.06537	0.5
94.68930	0.3
95.04993	1.5
95.08585	0.9
96.08103	0.9
98.22669	0.6
101.08368	0.5
103.05449	2.0
106.06585	0.6
107.04984	0.4
107.08586	0.4
108.04471	2.0
108.08120	0.4
109.85113	0.3
110.06051	1.5
111.00805	0.6
112.07600	3.4
118.06468	0.3
118.62389	0.3
121.10184	0.5
122.06036	0.4
122.09650	1.1
123.06236	0.3
124.11180	0.4
126.09161	0.8
131.04918	3.0
134.09612	0.4
136.07541	0.6
136.11157	0.3
139.00261	4.8
146.05989	0.7
150.05460	0.3
157.01366	0.5
164.07065	0.9
168.06566	0.3
174.05481	2.2
177.04248	0.7
178.01357	10.7
178.04964	5.3
181.13351	1.0
183.11259	2.8
192.02867	0.4
192.06534	6.7
193.50732	0.3
194.15428	2.6
196.06061	3.9
202.04990	1.3
204.02812	0.3
205.03680	1.0
208.16943	2.3
220.06042	100.0
221.00807	0.5
221.06381	3.1
231.31813	0.3
238.07010	0.4
245.90483	0.3
255.17084	0.7
257.40466	0.3
282.11288	1.2
324.12286	86.1
324.22601	3.9
325.06750	0.7
325.12659	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	324.1231
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
52.47022	0.7
54.03469	0.8
55.05505	3.8
56.05027	0.9
58.48016	0.7
59.42436	0.7
61.95407	0.7
65.03946	1.1
67.04256	0.8
67.05501	2.6
68.05009	1.3
68.99792	3.4
69.07080	5.0
69.25133	4.5
70.06589	42.5
72.04507	5.9
78.88805	0.7
79.05486	1.7
80.05049	0.9
81.07040	2.5
82.06575	35.7
89.07147	1.6
91.05470	2.3
92.99786	1.0
94.06512	1.8
95.04951	3.8
95.08601	1.0
96.08134	4.6
98.22681	1.7
103.05476	4.7
105.03423	0.9
105.07026	2.5
106.06558	7.7
107.04924	1.8
107.08567	1.8
108.04458	4.8
108.08113	1.3
110.06025	5.0
111.00803	1.5
112.07588	10.1
118.06531	1.4
120.08181	1.1
121.10201	1.0
122.06044	2.6
122.09650	5.0
124.07612	4.5
126.09216	1.4
131.04921	11.9
134.05998	1.5
135.04395	1.1
139.00247	10.6
146.06021	1.9
150.05475	1.4
151.00261	1.0
152.07057	1.9
157.01363	1.8
164.07060	1.6
174.05476	3.2
178.01364	18.8
178.04982	15.8
179.05167	1.0
181.13303	3.0
183.11288	8.3
184.13301	1.4
192.02863	1.5
192.06525	3.6
194.15361	7.4
196.06047	5.4
198.96074	0.8
202.04979	8.0
205.03600	1.7
208.16951	4.6
220.06041	77.8
221.04433	2.0
221.06389	2.3
238.07060	4.6
243.06511	1.1
249.99147	0.8
255.16968	1.7
282.04712	0.8
282.07578	3.7
282.11172	1.5
306.11407	1.6
324.12280	100.0
324.22720	10.9
325.12692	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	324.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.07073	5.3
59.13691	0.3
69.07061	0.8
70.04073	100.0
70.70560	0.6
70.70886	0.3
71.08633	0.5
79.05488	0.3
81.07055	0.5
83.04937	0.5
84.05621	7.5
93.19281	0.3
95.75452	0.3
97.10150	1.6
99.08072	1.4
105.72845	0.3
113.01545	1.1
115.05446	0.8
116.06238	0.8
117.03389	0.3
125.01549	4.3
139.03131	1.6
140.99188	1.9
141.01031	2.4
143.08499	0.6
144.09215	0.4
150.10309	0.4
151.03087	3.5
163.03090	0.5
165.04651	2.2
168.11278	4.6
177.04782	0.3
179.06207	1.0
207.09319	1.4
219.09326	0.4
255.09557	1.6
288.12527	0.8
324.14642	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	324.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.8
55.61390	0.2
57.07075	5.5
60.38366	0.2
69.07056	1.8
70.04075	100.0
71.03792	0.3
71.04412	0.6
71.08637	0.3
71.43357	0.3
79.05473	1.4
81.07054	2.4
84.05627	3.5
86.12525	0.2
91.05477	0.4
93.07047	0.8
94.87826	0.2
95.04956	0.7
97.06567	0.4
97.10172	1.2
99.08092	3.2
103.05441	0.9
105.04496	0.3
105.07011	0.4
105.53365	0.2
107.08581	1.4
109.73450	0.2
110.07151	0.6
113.01545	1.5
115.05430	1.9
116.06238	2.9
125.01541	23.8
126.01869	0.4
128.06279	0.6
130.07791	0.4
131.37834	0.3
139.03087	6.8
141.01018	3.4
141.06958	0.4
142.07784	1.1
143.08551	0.3
145.06529	0.3
149.01520	0.8
150.10252	5.8
151.01933	0.5
151.03084	7.1
153.04640	0.5
155.06055	0.3
155.08508	0.4
156.09245	0.6
163.03113	2.9
164.03493	0.3
165.04666	2.0
168.11324	17.6
169.07639	0.4
169.10095	0.5
177.04671	2.5
179.06186	0.8
184.12463	0.2
191.06232	0.7
193.10240	0.2
207.09354	0.6
219.09381	4.5
288.12607	26.8
289.12903	1.9
306.13702	3.8
317.44855	0.3
324.14636	16.4
325.14914	0.8
325.18277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04773	2.2
55.01890	2.2
56.94156	2.2
69.03417	9.8
70.61008	4.8
71.08624	31.4
79.05527	3.3
81.03410	9.8
85.02895	7.4
89.03936	3.5
97.02907	4.1
99.08089	38.2
109.02887	3.4
117.03379	2.3
127.11198	29.2
133.02824	4.3
135.04399	3.0
136.06154	4.6
145.02870	4.4
145.12224	100.0
145.13385	4.8
146.12607	3.8
163.03883	34.0
175.03886	3.3
181.05049	3.9
191.08159	18.4
201.05429	3.7
212.84610	2.4
265.08380	2.5
282.59830	2.7
293.08127	4.0
307.09442	2.3
307.12836	3.8
324.03140	2.9
325.10437	4.5
325.13992	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	324.2172
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05518	3.2
57.03433	0.6
62.75375	0.5
67.05500	5.2
68.05020	1.0
69.03451	0.8
69.07069	13.5
69.75522	0.7
69.75863	1.8
70.04075	1.4
70.06591	32.6
71.06913	0.7
72.04509	2.8
72.08148	0.9
76.56129	0.6
79.05491	4.2
81.07056	6.8
82.06573	2.7
83.04963	3.5
84.05634	4.8
86.06070	0.7
86.09704	100.0
87.10046	0.9
91.05479	10.8
93.07053	11.5
95.04964	4.9
95.08619	2.4
96.08134	1.2
97.06546	0.7
100.07626	0.9
103.05470	1.4
105.07030	14.3
107.04987	0.8
107.08579	3.7
108.04450	0.9
108.08103	1.4
109.06511	9.2
109.10149	1.2
110.02452	0.7
110.06018	1.2
111.08089	2.6
112.07612	8.3
118.06564	0.7
119.08556	3.2
120.08073	0.6
121.10122	1.8
122.06023	1.6
122.09645	2.9
123.08066	1.7
123.11687	0.7
123.50659	0.6
124.07578	1.1
126.09155	0.7
128.10718	4.7
129.06999	0.8
131.04935	3.5
131.08514	3.1
132.10204	26.5
133.06477	1.2
133.10114	15.7
137.06041	0.8
138.01874	1.2
147.11685	10.9
149.09630	1.9
150.05505	1.4
151.07541	2.5
151.11179	37.5
152.06995	0.7
156.10178	0.9
157.10121	0.9
164.07094	2.7
165.12747	2.0
168.06512	0.6
175.11192	3.6
178.01366	1.7
179.03516	0.7
181.13396	2.0
183.11276	7.5
184.13330	1.6
192.02925	1.4
192.06548	7.8
192.13817	0.7
193.12186	3.1
194.15401	4.5
204.03679	1.0
208.16977	3.9
209.16548	0.7
210.14780	0.7
216.69681	0.6
218.04428	1.4
220.02586	1.7
220.06055	61.8
221.06377	3.2
222.14949	1.0
238.07056	3.1
255.17032	1.0
260.20053	5.4
278.21149	22.8
279.21567	1.0
282.11142	0.7
297.07690	0.8
306.20554	4.2
324.12299	56.9
324.22067	18.6
325.06750	1.3
325.12653	3.7
325.22281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
53.29354	0.5
54.03454	0.8
55.05500	2.3
56.05026	3.7
57.03454	0.8
61.47628	0.5
65.95978	0.5
67.04682	0.4
67.05498	1.0
68.05032	3.5
69.03421	0.6
69.77312	1.7
70.06593	7.3
71.04990	2.9
71.07379	1.1
72.04520	0.8
72.08157	6.2
79.05458	1.0
80.05012	1.6
80.06021	0.6
81.07043	1.8
82.06553	0.9
83.07365	0.6
84.04496	2.3
84.08127	2.6
86.06058	1.2
87.94409	0.6
88.07629	9.2
93.05817	0.6
93.07056	0.6
94.06573	0.8
95.08638	0.8
96.08113	1.4
97.08936	0.5
98.06052	7.4
98.09698	2.4
100.07619	10.1
106.06573	0.5
107.07393	0.5
108.08112	1.3
110.09661	3.2
113.08377	0.7
114.09184	3.7
119.13928	0.6
120.08129	0.6
122.09652	2.3
126.09149	100.0
127.09483	2.0
128.10730	1.7
134.09674	2.0
136.11188	1.0
140.10689	8.4
142.12268	41.2
143.11743	0.8
143.12721	0.7
152.10706	0.5
161.86426	0.5
167.11856	0.7
172.98564	0.5
176.14391	2.9
185.12877	1.9
194.15407	4.4
209.86432	0.5
213.15981	6.0
237.16031	0.6
265.19086	5.8
268.20078	1.0
321.23898	0.6
324.22800	82.2
325.23151	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
54.03469	1.1
55.05507	3.1
56.05039	4.3
57.03430	1.1
67.05093	0.4
67.05490	0.8
68.05029	4.7
69.03423	0.6
69.05788	0.6
70.06596	7.9
70.52849	0.5
70.53180	0.6
71.04994	2.8
71.07384	1.0
72.04508	2.1
72.08158	7.0
79.05473	1.1
80.05015	1.7
81.79656	0.5
82.06568	1.5
83.07367	0.6
84.04496	3.1
84.08138	3.4
86.06063	1.1
88.07630	9.4
93.07043	0.5
94.06554	1.2
96.08133	1.8
98.06055	8.7
98.09689	2.5
100.07619	15.2
104.91967	0.5
106.06577	0.5
108.08118	1.0
110.09660	3.6
113.08358	0.6
114.09172	3.1
120.08076	0.9
122.09680	2.6
125.10771	0.9
126.09154	100.0
127.09505	2.0
128.10703	2.1
134.09648	2.1
134.72865	0.5
136.11162	0.5
138.09128	0.5
140.10695	13.0
142.12273	40.5
143.11697	0.8
143.12694	0.8
151.03917	3.7
152.10712	1.1
153.68661	0.5
156.10194	0.5
167.11818	0.7
169.13281	0.6
174.12750	0.6
176.14357	2.7
181.13411	0.5
185.12840	2.6
187.14384	0.9
194.15405	4.3
213.15956	6.1
234.62561	0.4
243.77989	0.5
265.19150	4.9
268.20184	1.6
324.22812	89.4
325.15005	1.3
325.23077	5.3
342.21436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
52.24189	0.3
53.03941	0.5
55.05505	0.6
56.05037	0.3
57.03446	1.8
62.67218	0.3
63.02378	0.5
67.05507	1.5
69.03064	0.5
69.03426	7.6
70.06586	2.1
71.01341	0.8
71.04976	0.9
72.08154	3.0
73.07668	1.0
79.05099	0.3
79.05502	3.0
81.03421	2.8
81.07042	0.3
83.04974	1.0
85.02904	3.8
88.07625	0.7
89.03915	7.4
95.04971	1.0
97.02892	17.1
99.04443	0.9
100.07612	0.3
101.02383	0.6
107.04948	2.2
107.08577	1.4
109.02852	0.7
110.09700	0.3
113.76707	0.3
114.52055	0.3
117.03372	10.4
120.16153	0.3
122.09677	0.4
124.11215	1.8
125.09631	3.2
126.09165	2.5
127.03883	1.5
135.04414	17.4
136.04745	0.3
143.11806	1.7
145.02847	13.8
152.10692	0.6
163.03897	100.0
164.04274	3.1
181.04955	3.1
185.12791	0.7
194.15410	0.5
202.15495	1.8
204.41837	0.3
226.19762	0.3
247.68651	0.3
254.18649	0.6
265.06943	0.5
307.08163	1.8
308.23166	0.3
325.09164	4.7
326.24387	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	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01859	0.5
55.05512	2.2
55.95351	0.4
56.05023	1.1
57.03424	2.2
57.05820	0.4
58.52024	0.4
59.04976	0.8
65.03938	0.4
67.05167	0.5
67.05501	7.0
68.05032	0.8
69.03428	6.1
69.07044	0.7
69.08549	2.7
70.06590	9.9
71.04983	1.0
72.04517	0.5
72.08150	9.8
73.02886	0.4
73.07670	3.5
74.06062	1.2
79.05492	6.9
81.02960	0.7
81.03416	11.5
81.07030	1.6
83.04964	3.2
84.08137	0.6
85.02902	4.0
86.06072	0.5
88.07627	2.9
89.03917	7.9
91.05498	1.0
91.08686	0.5
95.04962	1.1
95.22163	0.4
97.02895	2.1
98.06023	0.9
98.22685	0.7
98.54784	0.4
99.04447	1.0
100.07621	1.7
105.07013	0.4
107.04942	3.3
107.08597	5.4
109.02884	3.8
110.06007	1.1
110.09657	0.8
112.07616	0.8
117.02563	0.8
117.03374	12.0
117.04201	0.7
117.06587	0.4
118.03722	0.5
120.04269	0.4
122.09653	1.7
124.07605	0.5
124.11221	6.0
125.09628	11.1
125.10543	0.4
126.08263	0.5
126.09149	8.5
127.03911	2.1
128.37617	0.4
131.04886	0.8
135.04408	22.5
136.02893	0.4
143.11790	5.5
145.02840	14.0
146.03175	0.5
149.09671	0.4
150.09102	0.6
152.10683	2.8
163.03894	100.0
164.04222	2.6
164.05472	0.5
167.11795	0.4
168.10193	0.9
169.09689	0.6
181.04990	2.2
185.12862	2.9
194.15396	2.4
196.17093	0.9
202.15498	4.8
229.81754	0.4
239.17502	0.6
254.18655	2.0
257.18604	1.3
280.13559	0.4
307.08099	10.8
308.08365	0.8
308.23370	1.3
325.09174	1.7
326.24380	15.6
326.28284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
52.91790	0.4
53.03934	0.7
55.05513	0.6
56.48187	0.4
56.94276	0.4
57.03423	1.8
57.14715	0.4
58.46472	0.4
63.02357	0.6
67.05497	1.4
69.03429	7.4
69.07059	0.5
69.89874	1.1
70.06583	4.0
71.01335	0.9
71.05003	0.5
72.04496	0.4
72.08147	2.2
79.05496	2.2
81.03416	2.7
82.06580	0.4
83.01374	0.5
83.04966	0.7
85.02900	4.9
88.07626	0.6
89.03920	8.5
91.05484	0.5
95.04960	1.0
97.02888	16.2
99.04446	1.4
101.02357	0.7
103.05463	4.4
107.04942	2.6
107.08583	0.9
109.02858	1.3
110.06039	11.1
117.03387	11.0
124.07596	0.7
124.11216	1.0
125.09648	2.4
126.08371	0.4
126.09113	2.2
126.42686	0.3
127.03878	1.1
131.04929	10.1
135.04411	21.3
136.04753	0.9
137.05986	0.9
143.11761	1.3
145.02843	15.5
145.91586	0.4
146.03171	0.4
152.10645	0.6
163.03897	100.0
164.04202	3.2
175.07565	0.5
177.01799	0.6
181.05005	2.7
185.12909	0.5
194.15405	0.8
202.15482	1.4
205.01361	0.9
209.51189	0.4
254.18402	0.5
307.08090	2.1
325.09213	4.2
325.14297	0.5
326.09909	0.5
326.13797	1.8
326.24353	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	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91790	0.4
53.03934	0.7
55.05513	0.6
56.48187	0.4
56.94276	0.4
57.03423	1.8
57.14715	0.4
58.46472	0.4
63.02357	0.6
67.05497	1.4
69.03429	7.4
69.07059	0.5
69.89874	1.1
70.06583	4.0
71.01335	0.9
71.05003	0.5
72.04496	0.4
72.08147	2.2
79.05496	2.2
81.03416	2.7
82.06580	0.4
83.01374	0.5
83.04966	0.7
85.02900	4.9
88.07626	0.6
89.03920	8.5
91.05484	0.5
95.04960	1.0
97.02888	16.2
99.04446	1.4
101.02357	0.7
103.05463	4.4
107.04942	2.6
107.08583	0.9
109.02858	1.3
110.06039	11.1
117.03387	11.0
124.07596	0.7
124.11216	1.0
125.09648	2.4
126.08371	0.4
126.09113	2.2
126.42686	0.3
127.03878	1.1
131.04929	10.1
135.04411	21.3
136.04753	0.9
137.05986	0.9
143.11761	1.3
145.02843	15.5
145.91586	0.4
146.03171	0.4
152.10645	0.6
163.03897	100.0
164.04202	3.2
175.07565	0.5
177.01799	0.6
181.05005	2.7
185.12909	0.5
194.15405	0.8
202.15482	1.4
205.01361	0.9
209.51189	0.4
254.18402	0.5
307.08090	2.1
325.09213	4.2
325.14297	0.5
326.09909	0.5
326.13797	1.8
326.24353	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	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.8
53.23123	2.1
55.01871	3.7
57.03428	7.1
61.02928	34.8
69.03439	22.6
69.10838	2.2
70.06591	2.7
70.63907	2.1
71.40429	2.4
73.02917	17.8
81.03416	5.4
85.02905	100.0
85.03416	5.6
91.03955	41.2
97.02891	31.8
99.04475	2.4
109.02853	7.6
115.03926	3.4
120.74818	2.0
127.03915	38.1
145.04959	30.6
163.06050	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64099	2.5
55.01893	3.9
57.03434	9.6
61.02920	27.2
69.03428	25.8
70.06596	13.6
70.35490	3.0
73.02917	15.1
77.23423	2.8
78.26239	2.8
81.03411	6.5
81.04013	3.5
85.02906	100.0
91.03959	26.3
94.20185	2.5
97.02886	40.2
99.04462	7.9
101.02360	3.3
109.02876	6.8
111.79881	2.6
112.07619	3.1
127.03921	54.8
145.04961	38.9
151.03937	9.9
155.06706	4.2
160.31065	2.8
162.17824	3.0
163.03928	7.7
163.06042	9.6
173.07709	6.5
177.00905	3.6
209.03845	8.1
212.08789	3.7
212.82831	2.9
219.02003	8.8
221.01813	2.9
221.21497	2.8
225.01297	14.9
230.09966	5.0
240.12138	2.9
243.02402	3.0
244.62355	2.8
261.03067	11.5
262.70154	3.0
266.13821	4.9
277.25150	3.2
282.90103	4.1
283.12561	10.6
284.04602	8.4
301.01126	4.1
307.02008	3.2
325.09149	5.2
325.14716	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	325.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83572	0.4
53.03944	0.9
65.03937	2.6
67.05486	0.6
69.80659	1.5
70.06593	3.4
71.99465	0.4
77.03944	0.4
78.03462	0.4
79.01838	0.8
81.03416	3.0
91.05473	2.5
92.05002	3.7
92.22369	0.4
93.03381	1.0
99.90939	0.5
103.05439	0.7
105.03358	1.6
105.06972	0.9
106.02953	0.5
108.04473	3.4
110.06052	2.5
119.04906	0.6
120.04459	1.6
121.02872	2.1
125.09576	0.6
131.04916	2.0
133.02843	1.0
135.04395	0.5
136.03944	3.0
148.03925	10.3
149.02344	3.5
160.03958	1.6
163.03915	1.1
166.04980	1.6
167.03409	3.4
175.05098	2.1
176.03427	51.3
177.01823	8.3
177.03520	0.8
179.03366	0.7
179.93796	0.4
183.11237	0.5
194.04466	3.0
195.02890	8.6
195.04680	0.6
204.02917	100.0
205.01317	7.8
205.03281	2.9
212.29614	0.5
221.05618	20.9
222.03984	1.3
222.05992	0.5
223.02409	3.7
253.08766	1.0
263.07092	0.6
281.08099	2.3
307.10468	0.5
308.05634	0.8
308.09164	16.9
309.07401	7.6
325.11798	30.0
326.10153	0.7
326.12262	0.7
326.24435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60508	0.3
53.03938	2.5
55.01870	2.9
55.05505	1.5
56.05033	1.5
57.03433	3.9
58.06591	2.1
59.04998	0.8
61.02933	1.1
65.03923	0.6
67.05497	3.5
68.05031	0.8
69.03426	16.2
69.07058	1.5
70.06590	11.8
70.47685	0.7
71.01351	1.1
71.04993	7.2
71.05361	0.7
71.06962	0.4
71.07339	0.4
71.96937	0.4
72.04511	2.8
72.08152	16.3
73.02918	0.6
73.07635	0.4
79.05492	6.2
80.05010	0.4
81.03412	18.4
81.07052	2.0
83.04996	2.2
83.07388	0.4
84.04527	0.3
84.08136	5.9
85.02903	2.0
86.06078	0.6
87.04483	0.4
88.07635	2.4
91.05484	3.5
91.08700	0.4
93.07044	1.4
95.04965	0.6
95.08619	1.0
96.04472	0.3
96.08128	0.8
97.02864	0.8
97.06535	1.5
97.08918	0.4
98.06056	0.6
98.09690	5.2
99.04452	6.0
100.07614	47.9
103.05450	0.7
105.07028	3.4
107.04927	0.4
107.06065	1.0
107.08579	4.3
108.08103	1.2
109.06532	0.5
110.06062	1.0
110.09675	13.4
112.07555	0.4
112.11269	0.4
116.04958	0.8
117.05470	2.1
117.07040	0.5
117.10252	0.6
118.06541	6.0
119.08579	1.8
120.08101	3.0
121.02902	0.8
121.10165	0.4
122.09657	0.9
123.08079	1.0
124.11227	4.6
125.09623	7.0
126.09156	7.8
127.09499	0.4
127.12317	1.2
128.10651	0.4
129.05434	0.6
129.10205	0.4
131.04971	0.9
133.02856	1.0
134.09659	0.6
135.04494	0.4
135.05540	0.7
136.07591	1.2
136.11191	0.4
143.11787	4.2
145.07600	7.7
147.08058	1.5
147.09135	8.3
148.11198	0.6
152.10643	0.5
154.08647	1.1
159.09195	0.4
162.07852	0.8
163.03886	1.0
163.08652	1.3
167.03369	0.7
169.09761	0.8
169.13388	0.5
171.11366	0.7
173.07098	12.1
174.12805	0.4
175.08644	6.7
176.10689	0.4
176.14348	5.5
177.01849	0.4
187.14401	4.3
191.08139	100.0
192.08438	3.5
192.13795	0.6
194.15402	5.5
195.02840	3.2
196.17001	1.9
202.15480	3.2
203.04530	1.2
204.13889	1.2
205.01312	1.6
205.09811	0.7
215.11723	0.4
222.14865	3.3
223.02385	1.4
231.11238	0.4
233.09193	1.0
253.08650	0.8
254.18501	0.7
267.20496	0.5
281.08090	0.9
289.11856	2.3
307.12863	31.5
308.13190	1.2
308.23282	14.9
309.07492	2.6
309.21564	0.5
313.00485	0.3
325.13919	21.0
325.22986	1.1
326.10291	0.9
326.14142	1.1
326.24344	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01871	1.8
57.03427	2.5
59.05001	0.4
61.02919	0.7
66.17900	0.3
69.03428	15.8
71.01340	0.8
71.04637	0.4
71.04988	4.9
73.02901	0.6
73.55795	0.3
75.04461	0.5
79.20116	0.3
81.03413	17.3
91.05473	1.3
99.04451	6.4
116.04942	1.0
117.05482	1.7
118.06532	6.1
133.02827	1.1
137.05974	0.4
142.42708	0.3
145.04987	0.3
145.07613	7.4
147.08032	0.6
147.09151	8.1
149.05998	0.3
162.07904	1.4
163.03911	0.5
163.08643	1.2
173.07089	12.3
173.08522	0.7
174.07343	0.3
175.08664	5.5
181.04912	0.6
187.08673	0.4
190.07329	0.5
191.08141	100.0
192.08479	2.9
205.01024	1.3
205.09738	0.7
215.11760	0.4
223.02184	0.6
231.11365	0.5
233.09174	1.3
245.09218	0.3
271.10724	0.4
289.11627	1.7
307.12851	29.5
308.13159	1.2
325.06860	8.7
325.13901	19.1
326.14096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1622
Annotation	Istamycin FU-10
Peak:m/z	Relative Intensity
51.99523	0.7
55.01867	1.3
55.05493	1.6
56.98692	0.7
57.03423	1.0
61.02920	1.6
67.05491	1.3
69.03423	4.3
69.28004	3.1
69.28414	1.3
71.07988	0.6
72.08134	4.1
79.05473	1.4
81.03439	3.1
81.07065	1.3
85.02897	15.3
89.03892	1.2
91.03945	0.8
91.05473	2.2
95.04945	1.0
95.08612	1.3
97.02905	3.1
97.07642	1.8
105.07019	1.0
107.04904	1.1
107.08562	0.8
109.02863	2.2
109.06519	1.3
114.10294	3.2
117.03358	0.9
119.08569	0.8
121.02887	0.9
126.63458	0.6
127.03895	3.1
133.02852	5.0
135.04404	2.2
135.08044	0.9
137.05968	1.6
138.05522	0.9
145.02817	1.3
145.04948	3.4
151.07504	0.8
157.10043	1.0
163.03893	8.6
175.03856	0.9
181.01295	1.6
181.04953	1.8
195.06494	9.3
201.05394	0.9
205.06494	0.7
210.02074	0.7
219.07903	0.7
233.05875	0.8
237.09099	0.7
265.08554	1.1
279.10208	1.2
281.04492	1.2
290.94885	0.7
292.07355	1.0
293.07932	0.7
294.12442	2.1
295.09485	1.1
307.09653	1.2
307.15195	0.9
309.04010	4.7
310.11731	1.4
319.03555	0.6
319.17258	0.8
325.03326	2.0
325.10751	3.6
325.16183	100.0
326.16904	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	325.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63354	0.9
57.03428	1.3
67.05499	1.1
69.03424	3.6
71.43032	1.0
79.05495	1.5
81.03411	3.7
81.07035	1.8
83.08628	0.8
85.02899	8.9
89.03899	1.4
91.05489	2.3
93.07046	1.9
95.04980	1.7
95.08600	2.0
97.02909	1.6
99.04498	1.7
105.07051	1.4
107.04980	1.4
107.08578	1.6
109.02850	1.7
109.10135	1.1
117.03314	1.2
117.07021	1.3
118.04171	0.8
119.04948	1.4
121.02883	1.5
121.37971	0.7
123.08029	1.3
127.03921	2.8
133.02829	12.4
133.08430	1.5
135.04367	2.3
135.08072	1.1
137.05963	3.7
138.05489	1.2
142.06468	0.8
145.02837	1.2
145.04953	2.4
147.04410	2.4
149.05977	1.5
151.07520	0.8
157.09952	0.8
163.00298	1.2
163.03874	9.2
165.05525	1.5
175.03865	1.3
181.01329	2.9
181.04993	3.1
190.76491	0.7
191.08269	1.4
201.05527	1.6
205.06506	1.4
211.05907	0.8
224.88319	0.8
265.08496	2.2
281.04324	1.0
289.17993	0.8
297.11365	1.0
307.09985	1.0
309.03857	5.8
325.03391	1.8
325.10770	5.9
325.16193	100.0
326.16571	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.3
57.07065	1.5
67.05489	7.4
69.07066	3.8
70.04073	20.8
70.97794	2.6
71.04399	1.2
71.04985	5.4
79.05492	5.8
81.07037	8.7
84.05624	100.0
85.05325	6.7
85.05960	20.4
86.03542	26.1
86.09702	3.1
87.03889	2.7
91.05476	13.3
93.07056	6.9
95.05000	1.4
95.08604	6.0
97.06518	2.0
97.10172	2.5
99.04461	1.4
103.05459	2.6
105.07044	9.5
107.05004	1.8
107.08607	6.1
109.06514	2.2
109.10146	2.4
115.05434	4.8
117.07026	3.0
119.08572	7.2
121.10120	4.1
123.08062	2.5
124.17649	1.2
125.01555	2.1
127.01253	5.3
128.01556	2.8
129.07030	1.4
131.04942	9.1
131.08556	4.3
132.10301	1.5
133.10123	5.8
135.08058	2.0
135.11723	1.5
145.10162	2.5
147.11685	3.4
149.05991	3.2
149.09618	1.8
151.11279	1.7
152.11519	2.9
159.08090	1.7
159.11719	1.8
161.13278	1.6
169.10057	1.3
183.11586	1.5
191.27957	1.2
219.11786	2.0
233.13300	1.3
235.11226	1.7
237.12764	3.1
247.11281	1.5
257.18933	2.4
275.20047	12.7
279.13885	1.8
285.16232	1.4
289.18008	1.6
307.13367	3.5
307.22672	4.4
325.17242	36.9
326.14398	5.0
345.50180	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	325.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19630	0.8
53.03941	0.9
53.19626	0.7
55.05509	8.7
57.07060	2.9
67.05163	1.1
67.05504	16.6
69.07065	13.2
71.43302	0.8
79.05492	7.9
81.07052	35.6
82.07396	1.0
83.08604	6.0
84.00863	0.8
91.05466	8.7
93.07035	19.9
95.04917	1.3
95.08599	34.6
97.10159	3.1
105.07021	21.8
107.08588	27.3
109.10155	21.9
111.11697	1.8
117.07010	3.2
119.08569	22.0
121.10142	19.7
122.10426	1.2
123.11707	10.4
128.06253	0.8
129.06993	2.4
131.08562	9.5
133.10123	15.1
134.12082	0.8
135.11682	13.8
137.13234	3.8
143.08568	5.4
145.10109	16.1
147.11678	12.6
149.13243	12.8
155.08511	0.9
157.10114	7.5
158.10806	1.2
159.11690	16.4
161.13264	10.8
163.14789	8.3
169.10045	1.2
171.11662	5.7
173.13254	13.5
175.14832	8.3
177.16408	5.0
185.13242	5.2
187.14842	10.1
189.16377	8.1
189.42848	0.9
191.17709	1.2
195.11700	1.7
197.13274	1.7
199.14777	5.8
199.59212	0.8
201.16362	12.1
203.17897	4.6
213.16382	5.9
214.17062	1.3
215.17926	10.7
215.19810	1.2
216.18373	1.1
217.19498	3.5
223.14857	2.3
227.17896	4.6
229.19563	7.0
231.20987	2.1
241.19487	5.4
243.21173	4.3
255.21123	8.4
265.19452	2.4
269.22565	10.3
283.24091	1.5
325.21262	2.4
325.25467	6.2
325.28854	100.0
326.29181	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	326.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04137	0.4
69.58128	1.5
70.06235	0.7
70.06590	9.7
83.00975	0.4
95.06095	0.5
98.98477	4.1
101.00882	2.6
101.01921	0.5
107.00534	0.4
112.03616	1.0
112.08728	11.9
115.02449	1.3
118.53806	0.4
119.01924	6.0
124.02518	0.6
130.09727	1.3
131.01988	0.4
137.02948	0.9
140.98824	0.8
142.03494	1.2
142.08185	0.8
152.06679	0.5
154.08319	0.5
155.06670	0.9
157.03427	0.7
158.99889	4.9
160.00026	0.6
160.04523	3.0
165.99794	0.5
169.09383	2.6
171.10881	5.9
172.09283	1.1
173.07773	1.1
174.99207	0.6
177.00948	41.7
178.01035	3.5
182.99823	2.6
184.04608	1.6
187.10342	0.9
189.03534	0.6
189.11954	3.1
197.08870	2.9
198.07159	0.8
200.02583	0.7
201.00938	7.1
202.05646	1.2
202.49486	0.4
207.41690	0.4
213.03564	0.5
215.02493	1.6
215.09903	15.7
216.08228	0.9
217.04161	2.4
217.99075	0.7
218.03606	6.4
219.02000	74.1
220.02122	6.7
224.02513	1.7
225.00896	0.7
230.03519	0.6
233.10945	5.6
236.00133	0.7
239.11009	7.0
240.11780	0.5
241.99146	0.5
242.03595	11.3
243.01840	7.0
244.02078	0.6
248.13527	1.0
257.03558	4.7
258.03629	0.5
260.00046	3.0
260.04453	0.5
261.03055	72.0
262.03159	6.8
264.10089	0.5
266.03604	7.5
266.10278	0.5
266.14603	12.3
278.01187	0.9
279.00644	0.5
284.00211	6.2
284.04642	100.0
284.99820	2.4
285.05020	11.3
301.01196	0.6
302.01221	8.4
302.05688	36.9
303.00845	4.5
303.05905	4.1
307.06039	0.6
308.04593	0.5
308.16794	10.7
312.08856	0.5
326.05688	3.5
326.17746	2.5
344.02121	2.7
345.01703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0658
Annotation	Aristolochic acid II methyl ester
Peak:m/z	Relative Intensity
68.12148	0.4
68.78976	0.3
68.99784	0.4
70.06566	0.4
72.08158	0.6
79.01838	0.6
79.05488	0.7
86.09673	0.5
87.04432	0.8
89.06007	2.1
91.05486	1.1
95.01321	6.7
95.04958	0.5
95.08611	0.5
97.65907	0.4
98.98458	30.1
100.11257	0.5
102.06762	0.6
103.05476	3.1
105.07010	2.0
107.01305	3.0
107.04942	0.6
115.05427	0.4
116.99496	0.7
119.01331	0.6
119.04932	2.3
121.02865	3.9
121.06490	1.1
122.03630	1.4
131.04938	4.2
133.02884	0.5
133.06473	7.5
133.08600	0.8
134.92426	0.3
135.00812	1.8
135.07996	1.8
137.05965	17.9
145.06493	1.7
147.08054	0.7
151.07558	2.0
157.06519	0.4
163.00247	12.7
163.07521	10.9
164.00597	0.5
169.06577	0.7
174.99213	3.8
175.07587	0.5
181.01299	34.4
182.01639	1.1
190.99751	5.6
192.08472	0.4
209.00797	2.1
238.08647	0.9
253.04924	2.1
263.10632	0.7
281.04428	40.7
282.04758	2.1
295.13184	2.0
299.05499	8.8
309.03900	100.0
310.04279	6.8
326.07114	0.5
326.10690	0.5
326.14096	1.1
326.19388	0.6
327.05066	0.7
327.09723	0.4
327.16043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1021
Annotation	N-Hydroxyovigerine
Peak:m/z	Relative Intensity
53.03947	8.6
53.45027	0.8
54.49831	1.1
55.05508	1.7
55.19945	0.9
56.05029	1.3
57.03430	1.3
57.20045	0.8
65.03944	18.1
67.05499	3.9
68.99795	3.7
70.04069	4.2
70.06591	10.9
71.06918	0.9
72.04513	1.0
72.08151	9.0
73.07690	3.5
74.06083	1.0
79.01842	0.9
79.05490	3.5
80.05011	2.2
81.03413	14.3
81.07053	2.1
83.04985	1.7
84.08150	1.2
88.07627	2.4
91.05470	2.9
93.03429	5.3
93.07049	1.1
95.04913	1.3
95.08643	1.0
98.98466	46.2
100.07620	7.9
103.05460	5.9
105.07036	2.0
107.01302	1.3
107.08602	2.9
108.08147	1.8
109.02879	3.1
110.06056	2.8
110.09698	1.6
111.04438	1.7
112.07601	1.2
121.02862	24.3
121.03806	1.7
122.09653	1.2
123.00818	1.0
123.10258	0.8
124.11215	8.0
125.09637	5.5
126.09145	5.6
127.01281	1.0
131.04929	14.4
139.07538	1.6
142.12419	0.8
143.11790	3.1
149.02344	33.0
152.10727	2.0
156.10110	0.9
167.03397	37.5
171.14922	2.3
174.99210	5.3
177.01826	100.0
178.02164	2.8
185.12883	3.1
190.99820	1.4
192.13881	1.6
194.04501	2.0
194.15430	2.3
195.02887	58.2
196.03296	2.3
196.16882	1.5
202.15489	3.3
205.01324	86.2
206.01631	3.0
209.00784	1.1
210.14905	3.6
215.07005	2.0
222.03929	2.6
223.02371	47.3
237.05206	2.3
238.14398	0.8
240.20702	1.6
245.30994	0.8
253.08461	1.1
257.18439	1.2
281.07996	4.5
290.12335	1.0
308.23291	1.6
309.07559	84.5
310.07855	3.7
326.13879	2.2
326.24335	18.8
327.04752	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	326.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.01571	0.3
53.03944	16.5
56.35786	0.3
58.69555	0.3
65.03934	2.9
67.01865	0.4
68.99800	0.5
70.06583	0.4
73.11066	0.3
81.03416	31.4
88.35090	0.3
91.05459	1.5
93.03407	0.9
93.06368	0.3
95.04966	0.4
98.98469	2.4
100.17485	0.4
103.05489	1.9
105.03371	0.9
105.07034	2.9
108.04529	0.4
108.70278	0.3
111.71423	0.4
115.05470	0.4
121.02860	15.6
130.34947	0.3
131.04903	1.4
133.02861	0.4
141.06985	0.4
143.11777	0.3
147.04395	1.7
149.02336	10.2
149.03528	0.5
151.03882	3.1
167.03394	35.5
168.03740	1.2
169.04916	0.7
169.10129	1.2
175.03908	0.8
177.01814	14.5
177.03374	0.7
178.07797	0.7
179.03435	1.0
179.08568	3.1
180.91188	0.3
182.07346	0.4
186.48116	0.3
190.01373	1.1
194.04361	0.6
195.02884	100.0
196.03258	2.3
197.09615	3.2
198.90605	0.3
203.03406	5.8
204.02896	0.7
205.01321	44.2
205.99663	0.3
206.01666	0.9
207.02881	1.9
207.08081	2.3
211.07468	0.5
219.21060	0.3
222.03958	6.0
223.02365	32.5
224.02733	0.7
225.09076	6.4
235.07527	0.8
239.07001	0.7
240.05014	4.3
253.08597	24.7
254.08932	0.9
263.07025	1.1
280.09787	0.7
281.08081	45.6
282.08502	2.5
294.07309	0.4
308.09164	1.1
309.07559	77.0
310.07938	4.2
326.10214	27.8
326.24390	0.6
327.10590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1023
Annotation	N-Hydroxyovigerine
Peak:m/z	Relative Intensity
51.90698	0.3
53.03940	5.2
55.01867	0.4
55.81292	0.3
62.15268	0.3
65.03931	16.4
66.04214	0.3
67.05480	1.0
68.99777	3.9
70.06597	1.7
72.08140	2.1
73.07683	0.5
79.01836	0.4
79.05467	0.9
81.03404	11.6
81.07032	0.7
82.62717	0.3
83.04919	0.3
84.08109	0.5
88.07626	0.7
91.05463	3.5
93.02867	0.5
93.03393	5.1
95.01336	0.4
95.04942	0.4
98.98450	7.0
100.07578	0.7
103.05455	0.8
105.06992	1.0
107.01289	1.4
107.08603	0.6
109.02880	2.5
110.06022	8.5
110.09618	0.3
111.04408	0.8
121.02849	23.7
121.03775	0.8
122.03131	0.5
124.11183	1.2
125.09623	2.3
126.09126	1.9
131.04926	3.2
135.00726	0.5
139.03830	0.5
143.11780	1.2
149.02322	36.5
150.02644	1.2
152.10710	0.4
153.01833	0.7
161.02261	0.4
164.04269	0.4
167.03374	26.0
168.03703	0.8
174.99203	0.7
176.04222	0.4
177.01802	100.0
178.02220	2.7
179.18225	0.3
185.12932	0.4
190.04877	0.4
194.15459	0.3
195.02863	44.7
196.03214	1.5
196.16873	0.3
202.15469	0.9
204.06564	0.5
205.01291	96.7
206.01640	2.9
220.27010	0.3
221.04449	1.0
222.04536	0.7
222.07484	0.5
223.02342	28.5
224.02689	0.6
253.08606	1.0
281.08017	4.0
283.00211	0.4
309.07520	70.9
310.07849	3.5
326.10394	1.1
326.13809	1.9
326.24228	3.5
327.08279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.03473	0.7
55.05513	3.4
56.05029	2.1
57.03420	1.9
64.42926	0.6
65.03934	5.4
66.66880	0.6
67.04240	2.3
67.05500	8.5
68.05021	1.2
68.99783	8.9
69.07075	0.7
69.60490	1.1
69.60854	2.0
70.06231	1.1
70.06594	13.0
70.06982	0.9
71.01358	0.8
71.05005	0.6
72.08151	13.7
73.07674	5.3
74.06071	1.0
77.04000	0.7
79.05483	9.9
80.05016	4.5
81.03406	3.6
81.07053	2.6
82.02951	0.7
82.06592	3.8
83.04988	5.1
84.08134	3.4
88.07638	4.3
91.05467	3.0
91.08708	0.8
92.04996	2.0
93.03413	0.9
93.07026	0.9
94.06564	1.4
95.04967	2.2
96.04503	1.7
96.08150	0.7
98.06068	2.2
98.09666	0.7
98.98454	7.3
100.07607	1.8
103.05466	12.5
104.05009	0.7
105.03387	1.7
105.07017	3.2
106.06551	7.4
107.04931	1.5
107.08591	7.6
108.04484	2.7
108.08114	1.4
109.02872	1.4
110.06036	100.0
110.09729	0.9
111.06356	1.4
112.03957	1.0
112.07618	0.9
118.06552	1.1
119.05007	0.5
120.04466	2.8
120.08088	0.7
121.02876	5.3
122.06008	2.8
122.09648	1.6
123.04438	0.9
124.03947	2.4
124.07591	5.1
124.11224	10.1
125.09627	16.7
126.05502	6.7
126.09151	13.8
129.06927	0.7
131.04922	55.2
132.05238	1.7
133.02829	0.8
136.03940	5.4
136.04884	0.8
138.01865	1.0
138.05458	3.4
139.00269	0.8
140.03380	1.0
143.11769	8.1
146.06001	4.9
148.03957	1.6
148.07538	0.6
149.02338	6.8
150.01868	1.3
150.05511	7.6
151.03925	1.0
152.03447	3.0
152.10707	2.5
154.04997	7.6
157.01375	1.3
161.02328	0.6
163.03857	1.0
164.04250	1.1
166.05045	1.9
167.03384	6.3
168.10245	0.7
169.09651	1.3
173.05998	1.6
174.04004	1.2
174.05489	15.2
174.99239	0.9
176.03488	3.0
176.07066	5.1
177.01819	21.7
178.05017	1.2
178.08644	0.7
180.02896	0.6
180.06543	3.5
185.12872	3.4
190.01381	0.6
190.07779	0.7
192.06526	1.0
193.04955	0.9
194.04471	12.4
194.08145	3.0
194.15352	2.8
195.02852	9.3
195.04478	0.9
196.16982	1.9
202.04979	12.4
202.15486	8.4
204.06610	1.2
205.01334	20.1
206.01799	0.6
212.05455	3.8
215.07056	5.3
220.06042	37.6
221.06316	1.2
222.03963	19.0
222.07582	2.4
223.02414	5.5
223.04300	1.0
233.08051	0.9
235.07341	0.6
240.05020	18.3
243.06549	0.7
248.05527	19.2
248.07495	0.7
252.10406	0.7
254.08029	0.7
254.18607	2.5
257.18527	0.8
280.09692	15.2
280.13159	1.9
281.08047	1.8
281.10684	0.7
282.11212	1.3
284.12842	2.3
298.10788	2.2
298.14438	4.5
308.12610	0.7
308.23315	1.9
309.04929	0.3
309.07553	15.9
326.10193	31.3
326.13907	13.7
326.24356	21.9
327.10498	1.6
327.13986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1025
Annotation	Oxohernangerine
Peak:m/z	Relative Intensity
53.03938	3.1
54.03463	2.9
55.05511	10.8
56.05026	5.3
57.03431	4.2
57.32325	1.1
59.04986	2.7
59.81176	1.1
65.03934	6.5
67.04243	1.6
67.05500	27.0
68.05022	3.2
68.99785	16.5
69.07042	1.7
69.47952	4.3
70.06590	31.6
71.01365	1.3
71.04993	2.2
71.07369	2.1
72.04529	1.9
72.08150	33.9
73.07669	12.9
74.06079	3.4
79.05489	22.7
80.05022	10.2
81.03405	7.3
81.07042	6.9
82.02948	1.7
82.06575	5.5
83.04980	12.6
84.04505	1.5
84.08130	1.9
88.07625	11.7
91.05473	7.8
92.04993	2.9
93.03403	2.2
94.02927	2.2
94.06564	1.5
95.04967	7.9
95.70269	1.2
96.04482	4.6
96.08116	1.4
98.06062	4.8
98.98466	20.3
100.07623	4.6
103.05458	22.4
105.03384	2.7
105.04526	2.1
105.07011	6.3
106.02961	1.6
106.06546	18.5
107.04939	2.8
107.08585	19.0
108.04469	4.4
108.08152	1.7
109.02848	2.2
110.06033	60.3
110.09669	3.3
110.90659	1.1
111.06319	1.3
112.03973	4.7
112.07564	2.7
118.03719	1.6
118.06521	2.9
120.04438	8.4
120.59119	1.0
121.02868	10.6
121.03731	1.6
122.02422	2.0
122.06028	9.9
122.09657	4.6
123.04484	1.2
124.03944	8.1
124.07586	4.1
124.11230	25.3
125.09630	42.7
125.10590	1.9
126.05524	14.5
126.09151	31.8
131.04919	91.3
132.05270	2.9
133.02869	2.8
133.09836	2.0
135.04367	1.8
136.03886	11.8
138.01860	2.6
138.05527	6.1
139.00240	1.9
140.03409	9.4
143.11780	20.4
145.02798	1.6
146.05992	11.0
148.03912	4.4
149.02319	14.4
150.01860	3.9
150.05496	18.4
151.03923	3.0
152.03433	5.1
152.10693	11.6
154.04985	18.3
157.01315	3.5
162.05318	1.4
163.03905	4.8
164.04253	7.0
166.05000	3.6
167.03383	11.4
168.02945	1.8
168.10190	2.7
169.09689	2.4
173.06030	1.9
174.05501	32.6
174.06956	2.2
174.99199	2.4
176.03467	6.3
176.07047	5.7
177.01811	44.5
178.02051	1.4
178.05008	2.8
178.15971	2.3
179.03439	1.3
179.08527	1.4
180.02943	3.9
180.06587	1.9
185.12843	8.8
190.01288	8.6
192.06512	2.5
194.04475	28.6
194.15359	10.5
195.02879	23.4
195.04691	1.4
196.16972	2.6
196.30061	1.3
202.04976	33.2
202.15482	21.9
202.17215	1.4
204.02921	1.2
204.99420	2.9
205.01315	41.9
206.01758	2.1
208.02448	8.1
212.05539	8.3
215.07027	1.6
218.09627	2.3
219.08047	1.6
220.06032	100.0
221.04448	1.7
221.06453	3.3
222.03967	42.5
223.02336	12.5
223.04245	1.7
223.15677	1.1
224.16457	1.2
235.07486	1.9
240.05019	41.7
243.06441	1.3
248.02956	2.9
248.05525	58.7
249.05923	2.2
254.18706	6.8
257.18716	3.1
258.12344	1.2
267.06299	1.3
267.20761	1.7
280.09674	34.1
281.08087	4.6
282.11075	1.9
284.09195	1.3
284.12650	1.2
294.07578	3.2
298.10800	7.1
298.14053	2.1
308.08633	1.9
308.23279	4.0
309.03873	1.7
309.07544	35.0
310.07755	1.3
320.77618	1.2
326.10233	86.4
326.13791	8.2
326.24341	53.5
326.28259	2.4
327.08749	4.7
327.24789	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
54.03145	0.8
55.05489	3.9
56.05016	3.0
57.03419	3.3
65.03936	13.4
67.04253	1.5
67.05498	12.9
68.05004	1.8
68.99791	4.8
69.07057	1.7
70.00657	2.3
70.06584	21.0
71.04964	1.2
71.07362	0.8
72.08150	25.2
73.07673	7.1
74.06059	1.7
76.75171	0.9
79.05485	13.6
80.04985	1.7
81.03408	10.1
81.07033	4.6
82.06571	1.9
83.04978	7.9
84.08141	4.1
88.07621	7.6
91.05471	4.7
91.08710	1.5
93.03403	3.5
94.06562	0.8
95.04956	2.5
95.08607	0.9
98.06055	2.3
98.09666	1.1
98.98460	18.4
100.07606	4.4
100.11277	0.9
103.05457	6.8
105.07022	3.5
106.06525	0.9
107.01295	1.6
107.04907	1.5
107.08586	10.5
108.08106	2.5
109.02872	3.1
110.06035	85.1
110.09654	1.8
111.06364	1.7
112.07548	1.9
121.02863	18.9
121.03841	1.6
122.09673	3.4
124.07600	6.3
124.11214	17.2
125.08709	1.3
125.09627	26.0
125.10545	0.9
126.09144	17.7
131.04924	25.7
135.00809	1.1
143.11790	14.0
149.02335	32.3
149.03369	1.3
152.10667	6.4
163.03860	1.8
167.03375	27.0
168.10172	1.4
174.99265	2.4
176.07072	3.8
177.01813	100.0
178.02147	2.1
180.06601	1.8
185.12807	4.7
194.08092	2.6
194.15410	5.1
195.02873	42.2
195.14981	1.1
196.17004	2.5
202.15503	11.1
204.06563	1.3
205.01308	97.4
206.01614	2.7
210.14883	1.6
215.07022	5.5
220.06049	1.9
222.04015	2.3
222.07625	2.0
223.02362	31.4
224.02789	1.4
240.05032	1.3
254.18616	3.9
257.18558	1.8
280.13297	2.2
281.08133	3.6
284.12759	1.5
298.14374	2.7
308.23312	2.3
309.07538	72.8
310.07877	4.0
326.10132	3.2
326.13843	15.0
326.24338	31.9
326.28152	1.4
327.08334	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41062	0.4
51.72351	0.4
53.03933	0.9
57.03427	1.6
61.62003	0.4
64.76273	0.5
65.03945	2.5
65.04233	0.5
67.05484	1.5
68.99773	0.7
70.06585	3.3
72.04511	0.5
72.08157	2.6
73.07687	0.6
77.03938	0.4
79.05476	1.2
81.03403	2.4
81.07046	0.5
83.04963	0.9
85.02856	0.5
88.07619	0.8
91.05470	1.5
93.03384	0.8
95.04957	0.8
95.65572	0.5
98.98455	13.8
100.07587	1.1
101.02377	3.6
103.05455	12.6
105.07028	1.0
107.08581	1.0
109.02880	1.2
110.06033	5.5
119.03387	2.5
121.02852	5.1
124.11234	1.2
125.09648	2.6
126.09133	1.3
131.04910	100.0
132.05232	3.7
143.11794	1.2
145.06454	1.9
149.02319	6.8
152.10631	0.7
152.41525	0.5
152.42760	0.5
163.05055	0.6
164.04294	1.0
167.03384	6.6
168.92975	0.5
173.06035	0.5
174.99190	1.9
177.01808	20.7
177.03380	1.0
177.05273	0.8
178.02017	0.6
180.90074	0.5
185.12735	0.6
187.07571	0.5
191.06940	1.1
195.02856	10.8
196.03204	0.7
196.16827	0.6
202.15469	0.8
205.01295	18.0
205.05072	1.6
205.08582	22.0
206.01651	1.1
206.08925	1.1
221.00760	1.1
222.01112	1.7
222.07373	0.7
223.02364	6.7
270.38940	0.4
281.08145	0.7
309.07535	15.6
309.11084	1.1
310.07770	1.1
326.10474	0.7
326.13803	2.4
326.24377	3.8
327.15564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04530	0.5
58.51181	0.4
67.05505	0.7
69.07059	0.6
71.41825	0.5
79.05502	0.6
81.03410	0.7
81.07050	0.7
84.05621	100.0
85.05960	0.7
88.17328	0.4
91.05478	0.8
93.07051	0.4
95.01315	1.0
95.04948	0.8
98.98457	45.1
109.06499	1.2
110.06825	0.6
116.99467	0.5
119.23799	0.5
121.02859	1.4
125.23399	0.4
133.02861	0.8
134.03192	0.6
135.00703	0.5
137.19231	0.6
163.00273	1.6
174.99208	5.4
181.01285	4.4
190.99812	1.4
196.84061	0.5
197.06161	0.4
209.00818	0.5
239.07104	1.1
250.99934	0.9
253.09836	0.6
281.04391	2.9
281.11609	0.4
282.05017	0.5
290.18127	0.7
299.05573	0.7
308.19199	0.6
309.03876	13.5
310.04160	0.8
326.06891	0.6
326.11346	0.6
327.08371	0.8
327.12250	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1387
Annotation	CP 473195
Peak:m/z	Relative Intensity
53.03945	0.3
55.01861	0.4
55.05506	0.4
56.05029	1.1
64.33512	0.2
65.03928	0.8
67.01857	0.3
67.04233	1.6
67.05486	0.9
68.99796	1.0
69.03398	0.3
70.06596	1.1
71.01350	0.6
72.08139	0.8
79.01873	0.2
79.05481	0.8
80.05016	0.8
81.03405	0.6
81.07059	1.2
82.06574	2.2
83.01344	0.5
83.04972	0.7
84.07673	0.3
84.08142	4.1
88.07617	0.3
90.72242	0.2
91.05482	0.6
93.03422	0.2
94.06577	0.2
95.04963	1.0
96.04489	1.6
96.08163	0.2
97.02891	0.6
98.09711	0.3
98.98465	3.7
100.07609	0.6
102.52274	0.2
103.05465	7.2
104.05817	0.3
105.03355	0.6
105.07028	1.1
106.06506	0.2
107.04958	0.5
107.08595	0.2
108.08111	1.2
109.02866	0.8
110.06036	100.0
111.06362	2.0
115.05448	0.4
121.02857	0.8
121.06596	0.2
123.04421	0.6
124.07587	5.9
124.11225	0.5
125.09620	1.0
126.09144	1.5
130.06517	0.4
131.04922	30.9
132.05289	1.2
133.02820	0.6
134.06004	0.3
135.00775	0.2
135.04387	0.3
136.07500	0.4
137.02296	0.4
139.00282	0.3
143.11786	0.5
148.07507	0.5
149.02350	0.8
150.09120	0.3
151.03859	0.5
152.07037	2.7
152.10641	0.4
154.08618	0.4
157.01302	0.7
159.04387	0.3
161.02341	0.5
162.05473	2.1
163.03865	0.5
165.01860	0.3
167.03394	0.4
169.01324	3.0
173.05994	1.2
174.99258	0.6
176.07059	4.3
177.01839	1.8
177.05478	0.8
178.07486	0.4
178.08812	0.4
179.03343	1.1
180.06538	3.9
181.01305	3.1
185.12888	0.2
187.03865	0.3
193.01210	0.3
194.08116	4.5
194.09772	0.3
195.02916	0.7
195.06516	0.6
195.08144	0.2
196.09642	0.3
199.02394	1.8
201.05478	0.3
202.15491	0.6
204.06546	11.0
205.01355	1.0
205.04947	5.3
205.06731	0.2
206.05359	0.3
207.02910	1.7
211.02356	0.3
215.07019	6.1
219.02817	0.6
221.09573	0.9
222.07602	4.7
222.09721	0.3
223.02374	0.4
233.08043	0.6
235.02365	6.8
238.12273	0.3
239.10733	0.4
240.08687	0.3
243.06400	0.6
247.02182	0.3
262.12421	0.4
265.03433	0.8
266.11765	0.8
278.44534	0.2
280.13321	2.2
284.12805	2.3
290.11682	0.4
298.14374	3.4
299.14398	0.2
308.09222	0.5
308.12784	7.3
309.02316	1.0
309.07565	0.5
309.10916	2.5
318.27100	0.2
326.13846	26.8
326.24161	1.5
327.03503	1.5
327.14194	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29210	0.3
54.03465	0.4
55.01871	0.5
55.05500	1.4
56.05027	1.5
57.03429	0.9
59.04995	0.7
65.03937	1.6
66.36066	0.3
67.04247	1.5
67.05505	3.9
68.05016	0.4
68.99787	1.3
69.03411	0.4
69.07065	0.4
69.34230	1.0
69.34631	0.6
70.06590	6.3
71.04957	0.4
71.07363	0.4
72.07790	0.6
72.08154	6.2
73.07322	0.3
73.07681	2.1
74.06063	0.5
79.05487	3.7
79.53635	0.3
80.05013	1.6
81.03403	1.0
81.07053	1.5
82.06570	1.9
83.04980	2.2
84.04508	0.5
84.08131	3.6
88.07607	2.0
91.05475	1.0
93.03421	0.6
93.07004	0.3
95.04977	1.2
96.04459	0.4
98.06051	0.8
98.98456	4.7
100.07620	1.5
103.05465	7.2
105.07041	1.6
106.06553	0.9
107.04933	0.4
107.08591	3.7
108.08115	0.8
109.02869	0.8
109.06506	0.4
110.06037	100.0
111.06383	2.1
114.09169	0.3
117.03371	0.3
117.06627	0.4
117.85265	0.4
120.04488	0.4
121.02876	1.2
122.06015	0.6
122.09656	1.1
123.04379	0.3
124.03947	0.4
124.07582	5.2
124.11227	4.5
125.09632	8.4
125.10670	0.4
126.05471	0.6
126.09153	5.6
126.10049	0.6
131.04921	30.7
132.05258	1.4
133.02832	0.4
135.04422	0.5
136.03893	0.7
138.05522	0.6
143.11807	3.2
146.03197	0.3
146.06042	0.8
149.02332	1.8
150.05502	1.4
152.10677	1.6
154.04980	1.2
157.01334	0.7
163.03902	1.5
163.07555	0.3
164.04285	2.1
167.03397	1.6
169.09781	0.5
173.05968	1.2
174.05478	2.1
176.03354	0.5
176.07071	4.0
177.01811	5.4
178.04982	0.4
178.08647	0.7
180.06561	3.5
185.12869	1.3
194.04483	1.4
194.08153	3.0
194.15381	1.7
195.02914	2.4
196.09621	0.4
196.16985	0.8
202.05014	1.5
202.15488	3.5
204.06586	1.7
205.01321	5.1
205.04840	0.4
215.07030	5.6
220.06027	5.2
222.03969	2.8
222.07574	2.2
223.02365	1.2
238.98364	0.3
240.05016	2.7
243.06604	0.7
248.05534	2.4
249.05873	0.4
254.18698	0.8
280.09671	2.7
280.13223	1.4
281.08063	1.0
284.12823	1.4
298.10983	0.7
298.14319	3.3
308.12753	0.8
308.23312	0.7
309.07571	4.0
326.10150	5.4
326.13870	13.7
326.24362	9.8
327.10666	0.3
327.14328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01877	0.3
55.02988	5.1
55.05505	2.2
60.05636	0.5
60.09150	0.2
65.03931	0.7
66.15209	0.2
66.69740	0.2
67.05518	0.3
68.05006	0.3
69.03428	0.2
69.39593	1.2
70.06583	0.3
72.05637	1.8
72.08147	40.2
73.06526	0.3
73.08478	0.3
79.05482	3.1
81.03421	1.6
81.07047	1.8
88.85693	0.3
91.05473	0.5
93.03349	0.3
93.07034	0.3
94.04202	0.5
95.01292	0.4
95.04957	1.1
96.05740	1.6
97.07643	21.8
98.08002	0.4
98.23443	0.6
98.98454	24.9
101.79362	0.3
107.01278	0.2
107.04974	0.3
108.05707	0.5
109.02888	0.6
109.06504	2.1
111.04421	0.5
111.08057	0.5
113.05985	0.4
114.10277	35.0
115.10638	0.4
116.98649	0.3
116.99464	0.4
119.04903	0.3
121.02866	0.6
122.03640	1.9
123.04424	0.4
124.05185	3.5
125.05964	0.3
137.02338	0.8
137.05942	1.2
139.07523	5.0
145.98000	0.2
151.03902	0.6
152.04649	7.0
153.05469	0.3
154.06221	1.6
156.04198	0.3
163.00256	0.9
163.03806	0.3
167.07010	3.7
169.08592	0.6
174.99193	2.7
179.03409	0.3
181.01294	2.1
184.03661	0.2
185.08038	1.6
190.99782	0.3
194.08043	0.6
195.06502	100.0
196.06862	2.6
197.05727	0.2
212.09216	0.5
226.22839	0.2
241.98886	0.3
249.08951	0.3
250.99904	0.4
277.08594	0.7
281.04428	2.8
283.09503	0.3
284.14880	0.4
299.05453	0.7
309.03888	7.4
309.11188	0.4
309.14209	1.3
310.04239	0.4
326.17053	66.4
327.12286	0.8
327.17337	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	326.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05620	0.6
64.31193	0.5
70.06590	33.1
71.06897	0.7
83.00950	2.1
95.06108	1.0
97.01367	0.9
97.07621	1.0
98.98470	5.0
101.00889	3.6
101.01984	1.7
103.91068	0.5
112.03594	2.4
112.08724	37.6
113.01828	0.5
113.09047	0.6
115.02427	1.4
118.04666	1.0
119.01915	7.1
130.04570	0.9
130.09769	5.3
133.03444	1.2
134.99858	0.8
137.02907	1.4
140.98846	2.0
141.98874	0.7
142.03476	1.6
142.08246	2.8
152.06674	2.2
153.09904	0.5
154.08235	2.7
155.06622	2.1
157.03461	1.2
158.99849	5.2
159.10889	0.8
160.00043	0.6
160.04578	4.2
160.09264	1.2
161.03131	0.6
168.06316	0.8
169.09355	6.9
170.07765	1.5
171.10895	20.0
172.09360	3.6
172.10773	0.8
173.07692	4.6
174.99196	0.6
175.04507	0.6
177.00946	52.0
178.01018	5.0
178.53830	0.5
179.07838	0.6
182.99937	2.3
184.04541	1.3
186.07190	0.8
187.10402	3.8
189.03304	0.5
189.11967	13.1
190.12068	0.9
195.02150	1.1
197.08813	12.3
198.07191	1.4
198.08981	0.7
200.02484	0.7
201.00922	7.5
202.01076	0.8
202.05606	1.7
215.02477	1.6
215.09891	47.4
216.08272	3.9
216.10065	1.7
217.04054	1.9
217.99042	0.9
218.03619	7.4
218.07304	0.5
219.01993	91.5
220.02103	9.8
220.04068	0.9
224.02481	1.8
224.12401	2.3
225.00914	1.5
225.07272	0.7
226.05560	1.0
233.10957	18.8
234.11006	1.0
236.00058	1.2
239.11024	20.7
239.13518	1.2
240.11781	1.5
241.99484	0.5
242.03603	12.4
243.01801	6.2
243.04172	0.7
244.02046	1.1
244.06535	1.2
248.13536	3.0
249.11931	1.4
257.03552	5.6
257.12073	0.6
258.03610	1.0
260.00104	2.8
260.04623	0.8
261.03055	63.0
262.03174	7.8
263.03177	0.6
266.03549	7.7
266.14609	36.5
267.03729	1.2
267.14676	1.9
275.11572	0.7
278.01135	1.2
279.00812	0.7
284.00204	6.2
284.04636	100.0
284.99716	2.4
285.05106	11.6
302.01178	8.3
302.05685	37.4
303.00824	3.8
303.05847	4.6
307.06116	0.7
308.04706	0.7
308.16776	32.0
309.16977	2.0
326.01743	0.8
326.05698	2.4
326.17807	9.2
344.02240	1.5
345.01785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72585	1.2
55.01866	2.4
55.05510	13.2
56.05031	7.8
57.03438	9.8
59.04991	3.2
65.97832	1.2
67.05500	39.6
68.05020	4.1
69.07063	4.5
69.97346	4.0
70.06585	26.1
71.04980	4.9
71.07357	4.2
72.04557	1.5
72.08150	100.0
73.85779	1.3
79.05486	46.7
79.05952	2.4
79.78220	1.4
81.07056	12.0
82.06593	1.8
83.04974	31.8
84.04482	3.0
84.08138	2.9
86.06049	1.6
88.07627	28.6
91.05476	5.9
95.04984	2.2
95.08606	2.5
96.08118	2.0
98.06055	6.4
98.09712	2.0
98.98465	2.7
100.07617	3.5
105.07034	4.1
107.00970	1.2
107.08585	44.6
108.08082	2.2
108.08825	1.4
109.06521	1.9
110.09692	5.9
112.07597	3.3
113.10845	1.2
114.09156	1.7
119.06110	1.2
124.11225	58.5
125.09624	99.2
125.10629	3.5
126.09145	79.2
127.09530	1.2
143.10661	3.1
143.11786	52.5
167.11867	1.4
169.09700	6.6
178.15933	3.9
185.12857	5.3
195.14949	3.0
196.16989	8.7
202.15495	60.4
222.53203	1.2
254.18652	20.7
267.20663	3.8
273.80429	1.6
308.23312	11.3
326.24344	92.5
327.24722	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	326.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.5
55.73032	1.8
56.05030	5.9
57.03433	4.7
57.05804	2.1
59.04994	4.9
59.93214	1.9
67.05507	39.5
68.05028	2.7
69.07065	2.2
70.06591	63.2
70.55912	2.6
71.04987	5.2
71.07364	1.9
72.08153	65.9
73.07677	20.8
74.06069	7.4
79.05491	40.0
81.07058	12.1
82.06593	3.0
83.04978	24.1
84.04503	3.0
84.08130	2.6
88.07637	22.5
91.05478	4.7
91.08723	3.3
95.04976	8.1
98.06045	7.0
98.09690	2.0
98.23425	2.5
98.98475	5.8
100.07601	9.9
105.06980	2.4
107.08602	31.9
108.08086	2.9
109.06447	2.3
110.06043	12.5
110.09699	5.7
112.07610	2.8
117.06583	2.8
118.15351	1.7
122.09666	8.0
124.07561	2.1
124.10334	2.4
124.11230	40.0
125.09630	72.8
125.10635	3.6
126.09151	52.5
131.04936	5.2
136.03943	2.4
143.11789	37.8
149.09633	2.8
149.27791	1.8
150.28345	2.1
152.10707	19.0
168.10173	4.4
169.09703	4.5
178.15872	4.2
185.12843	13.9
194.15405	15.1
196.17073	5.5
198.70711	1.9
202.15520	34.3
254.18526	8.8
257.18625	3.7
267.20816	2.7
296.85938	1.9
308.23270	5.9
326.24368	100.0
327.24866	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	326.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32457	21.4
52.42619	21.5
58.68235	27.1
70.06596	41.4
71.12540	26.1
86.29670	21.5
97.67288	21.3
98.51851	23.5
98.98457	76.9
100.07637	40.0
123.40108	21.4
124.11221	35.9
163.76064	22.1
167.03458	21.8
239.63231	22.7
326.24353	100.0
347.69543	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
55.05513	6.4
56.05034	5.2
57.03438	8.0
67.05213	1.2
67.05508	13.0
68.05018	2.3
69.03437	2.3
69.07057	1.3
69.36617	3.3
70.06587	22.1
71.04993	2.4
71.07361	2.1
72.04496	4.0
72.08153	56.2
77.96053	1.0
79.05489	9.9
80.05025	1.6
81.07053	18.5
82.06556	1.4
83.04980	5.2
84.04491	2.6
84.08146	8.9
86.06048	1.8
88.07626	15.9
91.05481	1.9
93.07027	2.1
94.06548	1.2
95.07346	1.6
95.08603	2.4
96.04494	1.4
96.08128	2.6
97.06493	1.1
97.08890	1.2
98.06052	5.7
98.09686	18.6
98.98462	63.7
99.08084	6.9
100.06954	1.8
100.07610	34.4
105.07000	2.2
107.04975	1.4
107.08601	10.2
108.08111	6.2
110.09670	11.0
112.07561	1.7
114.05527	1.5
114.09169	2.8
120.08107	2.9
122.09702	2.2
122.19067	1.1
123.10461	1.4
124.07584	1.9
124.11228	14.1
125.09626	15.0
125.10666	2.4
126.09144	57.8
128.10764	2.3
131.11807	1.2
136.11206	3.6
139.07475	1.1
140.10617	1.8
142.12247	3.3
143.11790	19.6
152.10713	5.6
163.03908	1.2
164.04248	3.6
169.09756	3.3
169.13345	3.4
171.14941	3.7
174.99243	6.6
178.15909	2.6
185.12860	5.0
187.14449	2.6
192.13826	2.8
194.15321	6.1
196.16966	45.7
197.17284	1.9
202.15489	12.1
210.14914	8.2
228.16940	6.6
229.19185	1.8
238.14441	1.5
240.20712	3.5
254.18469	2.3
267.20593	8.7
308.23254	5.0
326.24350	100.0
327.24643	4.9
329.75891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
55.05516	13.0
56.05024	6.4
57.03437	12.6
58.06607	2.9
59.04995	4.8
65.03937	2.2
67.05161	2.9
67.05502	43.9
68.05021	3.2
69.03423	5.1
69.07069	4.1
70.00990	4.8
70.06586	37.1
71.04990	19.6
71.07376	4.5
72.04523	5.2
72.08150	94.8
79.05489	53.4
80.04992	1.7
81.03438	4.1
81.07049	16.5
82.06580	2.7
83.04979	36.7
84.04492	3.5
84.08138	9.2
85.02899	25.6
86.06051	1.7
87.09192	1.6
88.07625	29.4
91.05470	6.0
93.07034	1.8
95.04946	2.4
96.04527	2.5
96.08118	2.8
97.06508	2.6
98.06039	9.6
98.09704	6.3
98.98458	19.8
100.07610	42.6
105.07054	7.8
105.10288	1.7
107.08587	51.8
108.08095	2.3
109.06518	3.9
110.09679	12.2
112.07626	4.7
113.10682	2.0
114.09130	3.7
120.08114	1.8
121.02857	1.7
122.09715	2.0
124.10321	3.7
124.11222	63.5
125.09623	93.8
125.10635	3.7
126.09149	87.6
129.05482	11.4
136.11211	1.9
143.11780	44.9
143.12877	2.8
147.06520	6.2
151.09966	1.6
152.10666	3.0
164.09315	1.9
166.12259	1.9
169.09683	7.5
176.14368	2.7
178.15945	5.1
185.12831	5.4
187.14381	2.8
191.08127	5.2
192.08514	9.7
194.15480	4.0
195.02924	5.8
195.14980	3.3
196.16937	12.2
202.15483	53.1
205.01323	1.8
210.14801	3.3
224.16411	2.5
254.18610	14.7
267.20526	3.9
281.08221	2.4
308.13239	5.0
308.23260	19.8
309.07535	4.2
326.10345	2.6
326.14233	5.5
326.24344	100.0
327.24655	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	326.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72309	0.9
55.05508	2.9
56.05022	2.0
57.03424	4.2
58.06596	2.6
62.27198	0.8
67.05499	4.7
68.05031	1.8
69.95744	3.1
70.06591	29.6
71.04998	1.6
72.04513	5.2
72.08153	27.1
73.07665	7.2
74.06059	2.4
79.05486	6.5
79.12861	1.0
81.07051	6.6
82.06577	1.1
83.04970	2.1
84.04484	1.1
84.08134	8.6
88.07623	6.9
91.08709	0.9
93.07011	2.5
94.06608	1.5
95.04949	1.1
95.07377	1.0
95.08604	2.6
96.08122	2.1
97.06511	1.0
98.06072	2.4
98.09687	9.0
98.98480	7.0
99.08075	1.9
100.07610	100.0
101.07949	1.5
105.07041	1.3
107.08598	4.1
108.08131	5.7
110.06017	3.4
110.09659	10.3
114.09180	1.7
117.06612	2.2
120.08112	1.4
122.09659	1.3
123.08060	2.8
124.07555	1.1
124.11204	5.1
125.09622	7.3
126.09147	19.1
128.10699	1.1
129.10269	1.1
136.11194	2.1
138.09148	1.2
143.11797	8.0
148.11188	1.1
149.09612	1.1
152.10820	1.2
165.62860	0.9
169.13313	1.2
176.14400	2.2
178.15878	3.5
185.12801	2.1
187.14421	16.1
192.13811	1.2
194.15399	27.3
195.02841	1.4
195.18668	1.3
196.16945	15.2
202.15524	3.0
222.14835	2.2
224.16531	1.8
228.17119	2.4
239.17290	1.1
256.20163	1.1
257.18613	2.3
267.20694	3.6
300.52100	0.9
308.23312	2.8
326.24353	67.0
327.24750	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	327.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.00293	0.7
53.03927	1.0
54.19875	0.3
55.01865	2.5
55.05494	1.5
57.03416	0.5
63.98835	0.3
65.03946	2.2
67.01858	4.3
67.05164	0.4
67.05499	4.6
68.99422	0.5
68.99788	8.3
69.03425	2.8
69.90428	1.1
70.06591	2.2
71.01357	0.7
72.08157	3.1
73.07690	0.5
77.03909	0.8
79.01853	2.5
79.05476	3.4
81.03413	3.5
81.07033	0.8
83.01338	6.7
83.04980	5.3
85.02902	2.0
88.07610	0.5
89.03932	0.5
91.05468	0.9
93.03403	2.2
95.01319	1.9
95.04962	7.6
95.08569	0.5
97.02890	10.8
98.22792	0.4
98.98460	25.0
99.00791	0.9
99.04428	0.4
100.07620	1.8
105.03394	3.7
105.04508	0.5
105.07034	1.0
107.01314	1.9
107.04938	1.1
107.08566	1.5
108.50866	0.3
109.02871	6.5
109.06508	0.9
110.05341	0.5
110.06030	6.0
111.04434	4.2
111.06351	1.1
113.02353	0.4
116.99500	0.7
117.03376	0.4
119.01250	0.4
121.02860	6.9
121.03749	0.4
123.00764	1.2
123.04421	10.4
124.07618	0.7
124.11206	1.4
125.02305	1.1
125.09622	4.0
126.09136	2.2
127.03925	0.8
131.04903	2.0
132.05194	0.5
133.02832	4.1
135.00748	1.2
135.04396	1.2
137.02338	4.1
137.05975	0.4
137.64247	0.3
139.03891	1.1
141.01852	0.4
143.11780	1.5
145.02937	0.7
147.00786	0.4
149.02345	2.3
149.95486	0.3
151.00298	0.6
151.03885	5.6
152.10680	0.8
153.01819	0.9
155.03372	1.9
161.02348	4.2
163.03879	3.3
165.01837	4.3
167.03389	0.8
168.10219	0.3
169.01314	43.2
170.01668	0.8
173.02361	0.8
174.99165	2.6
177.01811	1.2
178.02574	1.4
179.03380	17.1
180.03645	0.4
181.01303	42.7
182.01642	0.9
183.02885	2.4
185.00771	1.6
185.12881	0.7
189.01875	2.2
190.99651	0.4
191.03375	2.0
193.01314	3.2
194.15369	0.7
195.02840	3.0
199.02362	34.3
200.02748	0.8
202.15552	0.8
204.06851	0.4
205.01309	0.8
206.01978	0.5
207.02870	28.5
208.03212	1.0
209.00826	0.7
209.04427	0.4
211.02354	3.3
217.01286	1.9
218.02084	0.6
219.02878	8.7
221.00774	3.2
223.02374	4.3
225.00330	0.6
225.03918	5.9
226.63312	0.4
235.02353	100.0
236.02744	3.9
237.03943	0.8
239.01802	0.7
241.03419	0.3
245.00870	2.0
247.02350	6.0
252.02716	0.5
253.03404	1.1
263.01846	2.7
265.03415	12.3
266.03845	0.6
273.00320	0.8
281.02921	1.7
291.01331	1.4
297.03873	0.4
308.23312	0.5
309.02380	17.0
310.02679	1.1
310.24744	0.4
326.13815	0.8
326.24420	3.8
327.03445	20.4
327.07986	0.6
327.16064	4.6
327.24564	1.6
328.03690	0.7
328.25833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34589	0.4
51.68932	0.5
53.00306	0.8
53.03937	0.8
54.59603	0.6
55.01879	1.8
55.05513	1.0
57.02265	0.5
57.03436	0.8
58.06615	0.6
65.03941	1.8
67.01859	2.1
67.05502	4.1
68.99792	7.5
69.03426	1.8
70.06590	2.2
70.56298	0.9
72.08160	3.3
77.03938	1.4
79.01834	1.4
79.05479	1.6
81.03415	2.9
83.01344	6.8
83.04971	3.8
84.08154	0.8
85.02905	1.5
91.05488	0.9
93.03406	1.8
93.81786	0.5
95.01350	1.8
95.04968	6.2
97.02891	9.1
98.98464	78.1
100.07618	7.9
105.03386	3.1
105.04502	1.0
105.07036	0.6
107.01316	2.1
107.04935	1.2
109.02875	5.7
110.09692	1.1
111.04443	2.9
116.99495	1.2
119.01353	0.8
119.04855	0.6
119.38040	0.5
121.02850	7.4
121.09972	0.6
123.00759	0.6
123.04418	8.9
124.11207	0.5
125.02345	1.2
125.09596	0.6
126.01041	0.9
126.09129	0.7
131.12910	0.9
133.02835	4.1
135.00732	1.5
135.04379	1.0
137.02379	3.6
137.05981	1.9
139.03859	0.8
143.11748	0.8
145.02834	0.8
149.02327	1.3
151.03893	4.7
153.01778	1.2
155.03447	1.3
161.02313	3.5
163.03934	2.5
163.07559	0.8
165.01828	4.0
169.01318	46.0
170.01572	1.1
173.02324	1.0
174.99211	8.6
179.03378	14.5
181.01308	39.3
182.01738	0.7
183.02834	1.7
185.00734	1.6
187.14476	1.2
189.01817	2.7
191.03360	2.3
193.01337	1.9
194.15436	2.2
195.02950	1.2
195.15810	0.7
196.16956	0.8
197.04433	1.5
199.02374	29.9
200.02756	0.9
205.01343	0.7
207.02864	24.2
208.03230	0.7
209.00897	1.3
211.02338	1.4
217.01320	1.3
219.02890	4.2
221.00800	1.1
223.02347	1.0
225.03873	4.4
235.02356	100.0
236.02802	3.8
237.03842	0.8
245.00743	1.6
247.02415	5.9
251.00017	1.4
253.03438	0.9
263.01855	2.1
265.03406	12.8
273.00302	0.7
281.03046	0.7
284.02551	0.6
291.01181	1.1
299.05377	2.3
309.02383	16.4
326.24332	2.8
327.03354	17.3
327.08252	0.8
327.12213	0.9
327.16180	1.1
328.25903	0.7
339.43417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
56.96556	3.6
57.03427	4.6
69.03416	3.2
70.02949	9.8
70.06590	1.9
73.02911	2.4
82.99838	1.0
85.02892	2.9
86.09731	1.7
94.99863	2.1
97.02897	1.6
98.97566	5.8
98.98459	81.2
101.00868	17.1
110.07197	1.6
112.03607	1.0
113.00858	12.8
116.98642	2.3
116.99487	1.8
119.01907	29.9
120.01960	1.6
131.01903	32.2
132.02098	1.1
133.03430	1.2
133.04967	1.3
135.00441	1.2
136.03928	1.3
137.02948	4.8
143.01842	6.7
149.03011	2.3
153.01433	3.6
155.01897	15.1
155.03046	1.5
157.03462	12.6
161.02965	14.0
166.07213	3.4
167.01912	4.0
169.09398	1.0
171.02504	42.0
171.03937	1.4
172.02702	2.2
172.94342	4.9
173.02939	24.4
173.04411	1.5
173.07912	1.2
174.03075	1.1
174.99216	8.7
175.04495	5.8
177.00978	1.0
182.02921	2.2
185.02956	16.4
186.02992	1.2
189.03554	100.0
190.02106	1.2
190.03694	6.2
190.95480	3.6
191.03963	2.9
195.02495	8.8
195.04117	1.9
203.03908	1.6
207.02426	7.4
209.04036	2.0
213.03545	73.9
213.05164	3.5
214.03664	2.4
214.95381	5.0
215.03831	7.0
215.09979	1.6
219.02129	1.8
220.02164	3.7
221.01999	1.2
225.03540	31.8
226.05728	1.5
227.05032	6.3
228.05225	1.3
231.04610	47.5
232.04781	2.3
232.96416	13.4
233.05042	25.0
234.05292	1.3
234.99602	1.4
237.03508	8.0
243.04593	9.6
248.39081	1.2
249.03560	1.6
250.97490	6.3
255.04602	10.8
261.03140	1.1
262.03265	5.2
267.04587	4.7
268.05298	1.1
268.15219	1.4
284.99899	1.2
285.05014	5.7
303.03461	1.8
303.06522	4.7
327.06711	61.1
328.06943	3.6
328.18338	1.9
345.07733	7.0
346.04752	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	327.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34805	0.3
53.00311	0.6
55.05516	0.3
56.05014	0.3
56.97979	0.3
62.11615	0.3
65.03945	0.4
67.01868	0.7
67.05505	0.8
68.05025	0.4
68.99792	0.7
69.18539	1.2
69.18956	1.0
70.06599	1.3
70.62061	0.3
72.08150	1.0
75.41028	0.3
79.01844	0.8
79.05518	0.6
79.32579	0.3
81.07061	0.3
83.04961	0.4
85.02901	0.5
95.01324	10.1
95.43021	0.3
98.98466	20.7
100.07629	1.4
107.01330	0.3
110.09666	0.4
119.01307	0.7
121.02940	0.3
123.00789	69.3
123.58282	0.4
124.01141	1.1
124.11224	0.9
125.09656	1.0
126.09137	0.6
131.04916	0.9
135.00746	0.7
149.02332	1.2
152.10670	0.7
163.00244	8.9
167.03360	0.6
174.99225	2.3
177.01868	1.7
178.02132	0.6
181.01312	17.6
190.99745	100.0
192.00064	2.5
194.04472	1.5
195.02893	0.9
195.04796	1.3
202.15588	0.5
205.01329	1.6
205.03038	0.5
206.01665	0.6
209.00801	30.5
210.01157	0.8
222.14604	0.4
223.02367	42.7
224.02737	1.1
237.05237	7.9
248.35217	0.4
265.04642	1.8
283.05762	1.1
295.05981	3.9
309.09442	0.5
310.07767	1.0
326.24323	1.3
327.04868	9.4
327.08643	1.9
327.11078	0.5
327.24640	0.7
328.05075	0.7
345.02588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.5
55.05510	1.0
56.05021	0.4
57.03437	0.9
57.07066	0.6
58.06598	0.5
67.01862	3.2
67.05492	2.3
68.99776	2.0
69.07069	0.8
70.06591	3.8
70.82620	0.5
72.08160	4.2
73.07684	0.9
73.08523	0.5
74.06093	0.6
79.01852	2.1
79.05473	1.9
81.07075	1.4
83.04984	0.6
84.08118	0.8
85.02899	0.6
85.06541	0.8
86.77074	0.4
88.07620	0.7
91.05484	1.7
93.07014	0.4
95.01324	1.4
95.04931	0.7
95.08584	0.9
96.08120	0.5
98.98465	59.3
100.07609	5.0
101.07953	0.6
105.03413	0.9
105.07032	2.9
107.08597	1.4
110.09658	0.9
112.11225	0.5
113.02357	1.3
116.99501	1.4
120.08057	0.8
121.02873	0.5
122.66588	0.4
123.00795	3.7
124.11237	2.7
125.09651	3.4
125.10464	0.5
125.11573	0.5
126.09142	2.5
131.04926	0.7
134.61560	0.4
135.00766	4.2
141.06993	0.4
143.11827	1.0
149.02390	0.6
152.10728	0.5
163.00259	40.7
164.00616	0.9
167.03374	0.7
171.14911	0.9
174.99213	7.4
177.01828	2.6
178.02191	1.4
180.17474	0.6
181.01335	3.6
185.12941	0.5
190.99748	46.8
192.00110	1.0
192.13730	0.6
194.15523	0.7
195.02873	1.2
196.03207	1.1
196.17012	0.7
202.15594	0.8
205.01265	1.5
206.01695	1.1
209.00804	100.0
210.01149	2.6
210.14896	1.2
211.01175	0.5
223.02357	26.8
224.02719	1.4
225.05455	1.1
232.02350	0.7
237.05235	2.9
240.20795	0.6
241.03320	2.1
250.99966	0.7
253.04961	2.6
270.05350	0.5
283.05872	0.6
285.07504	1.0
295.06003	18.3
296.06198	1.3
309.03775	0.7
310.07938	2.5
310.24921	0.5
326.24405	5.0
327.04709	3.9
327.08566	13.4
327.14102	0.9
327.19629	0.4
327.24905	2.6
328.25925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
53.03943	1.7
55.01867	0.6
55.05506	0.5
57.03424	0.6
65.03934	12.1
67.05504	2.1
68.99775	1.8
69.07043	0.5
69.08048	1.9
70.06584	3.5
71.04961	0.2
72.08152	3.6
73.07682	0.9
79.05489	1.8
81.03406	3.8
81.07044	0.8
83.04974	1.5
88.07610	0.9
91.05470	2.2
93.02490	0.3
93.03404	3.3
95.04944	0.5
95.08582	0.5
98.09713	0.3
98.22710	0.6
98.98457	48.2
100.07601	3.4
103.05458	0.3
105.03397	0.6
105.07038	0.7
107.01289	0.7
107.08605	1.8
109.02865	1.5
109.06498	1.0
109.95457	0.3
110.06036	0.4
110.09646	0.6
111.04427	1.2
116.99488	1.2
121.02859	15.2
121.03926	1.7
121.06481	0.3
122.03201	0.6
123.08027	0.3
124.11210	2.8
125.09619	3.7
126.09118	1.9
126.09937	0.6
127.09517	0.3
131.04932	1.5
139.03831	0.4
140.01010	0.3
143.11745	0.9
149.02325	44.4
150.02644	1.6
151.03903	0.3
152.10672	0.6
153.01857	0.3
167.03383	41.1
168.03738	1.0
168.10201	0.4
174.99207	5.6
177.01808	95.8
178.02164	3.4
181.01285	0.4
185.12831	0.4
192.13858	0.3
194.15396	0.7
195.02870	25.9
196.03192	1.5
196.16963	0.7
202.15466	1.0
205.01300	52.6
206.01657	3.1
210.14897	0.5
222.07660	0.4
223.02345	100.0
224.02667	3.8
237.05247	0.7
240.20634	0.5
241.03404	3.8
251.00017	0.8
281.08148	0.5
282.07962	0.3
291.13751	0.3
309.07532	6.6
309.14963	0.3
310.07874	2.7
310.24863	0.4
326.24362	3.3
327.05075	1.3
327.08575	27.5
327.15601	1.0
327.24738	1.7
328.08713	1.4
328.25833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.5
59.63118	0.7
65.03944	8.4
67.05508	0.8
70.70802	0.9
70.71137	0.8
79.05489	1.7
81.07053	1.0
91.05489	3.5
93.03389	7.0
94.04178	2.8
95.01349	1.2
95.04972	1.7
98.98462	100.0
103.05468	1.7
105.07027	0.7
107.04958	2.2
109.06503	0.8
110.03664	1.7
111.04441	9.9
115.05449	13.0
116.99507	1.6
117.03337	1.3
117.07022	1.2
119.04930	0.9
121.03986	0.6
121.06490	1.7
122.03654	6.5
123.04398	1.3
125.05992	8.1
131.04926	2.4
132.05746	1.4
133.02835	0.8
135.04433	0.7
137.05968	50.4
138.06299	1.1
143.04916	9.7
144.05640	1.2
145.02840	1.7
147.04382	1.1
147.08060	1.0
149.05959	2.3
150.06775	1.1
151.03889	4.7
151.07526	0.7
152.06050	0.8
153.05443	6.9
160.05212	6.9
161.05937	1.3
165.07045	0.9
171.04393	5.0
172.05154	0.8
174.99211	9.9
175.07549	12.0
177.05461	6.1
178.07753	5.1
179.08566	3.2
181.06487	1.7
189.06958	6.0
190.07779	1.4
191.08562	1.2
194.07349	1.0
195.08012	1.2
197.05894	1.4
203.07008	9.1
203.08667	1.2
205.06519	3.1
206.07248	4.9
207.08020	6.6
211.07677	1.2
217.06421	5.9
218.07216	2.0
219.07948	1.5
221.09550	1.3
222.06796	1.0
223.07535	3.8
224.08459	1.1
225.05568	1.0
225.09134	0.8
233.05974	2.0
234.06734	13.4
235.07533	5.9
237.09024	1.5
239.10625	1.2
240.07761	1.0
245.05981	2.2
247.07808	1.0
249.09071	12.9
250.09734	0.7
251.00003	1.5
251.07043	5.7
252.07750	2.1
253.08556	1.3
262.06210	5.2
263.06964	2.1
265.08575	3.0
266.09357	2.2
267.07141	1.3
267.10153	9.3
268.07306	1.6
269.08057	1.3
277.08566	20.8
278.09140	1.9
279.06757	3.3
279.09521	0.9
281.11783	1.1
283.09641	1.5
294.08841	9.0
295.09644	2.4
299.12796	1.1
309.11203	9.9
310.04349	1.2
310.11459	1.3
327.12152	11.9
327.15701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1226
Annotation	Moracin O
Peak:m/z	Relative Intensity
51.02391	1.0
55.01868	20.5
65.03931	13.2
68.99787	0.7
70.72311	1.1
77.03947	0.9
79.05518	2.4
81.07061	2.6
89.03925	1.3
91.05477	10.4
93.03403	16.7
93.07030	1.2
94.04176	6.8
95.04967	3.3
97.22105	0.8
98.98462	87.7
103.05468	4.6
107.04954	4.4
109.06531	3.3
109.71971	0.9
110.03671	2.8
111.04430	19.2
111.05152	1.0
115.05453	27.8
115.06226	1.5
116.99512	0.9
117.03397	2.8
117.07027	2.5
119.04954	2.4
119.08592	1.2
121.02854	2.5
121.06490	2.4
122.03644	15.8
122.66802	0.8
123.04435	2.3
125.05986	17.1
125.06894	0.9
126.06369	0.9
126.68839	0.8
129.07007	1.3
131.04912	4.9
132.05717	3.3
133.02838	2.0
133.06487	1.4
134.03644	1.3
135.04401	2.4
137.05969	100.0
138.06342	3.2
143.04919	18.9
144.05730	2.3
145.02824	2.4
145.06451	2.2
146.03595	1.5
147.04411	1.7
147.08034	5.0
149.05968	6.0
150.06776	2.8
150.94666	0.9
151.03908	7.5
151.07513	1.7
153.05458	15.6
159.04408	1.5
160.05179	13.9
160.06401	1.0
161.06021	4.4
162.03119	1.3
165.05647	0.9
165.07010	2.7
171.04407	9.8
172.05101	1.9
174.06775	2.3
174.99178	8.1
175.07532	23.1
176.07961	1.0
177.05498	14.1
177.06978	1.9
178.07753	12.4
179.08537	10.2
181.01450	1.4
181.06483	2.5
182.07335	1.1
185.05989	2.0
188.04675	1.5
189.06979	11.7
190.07741	1.6
191.08580	1.5
191.84140	0.9
194.07277	2.5
195.08075	3.4
197.06027	2.9
203.07011	24.2
204.07443	1.4
205.06502	7.6
206.07236	11.0
207.08054	17.1
208.02434	3.0
209.05809	0.8
217.06485	13.3
218.07216	3.6
219.08044	2.4
221.05980	2.3
221.09608	2.4
222.06821	3.0
223.07518	7.3
224.08310	3.2
225.05496	1.7
225.09016	1.5
233.05988	3.5
234.06721	26.3
235.07524	14.0
236.04753	1.4
236.08264	2.0
237.05440	0.9
237.09149	3.3
238.09927	1.0
239.07092	1.7
239.10715	2.0
240.07823	2.4
245.06030	5.3
246.06699	1.4
247.07614	1.3
248.08313	1.8
249.09094	29.8
250.06224	2.2
250.09523	2.1
251.00073	2.1
251.06995	13.7
252.07886	3.3
253.05006	1.3
253.08594	2.9
261.05396	1.0
262.06216	13.9
263.07022	6.6
265.08542	9.0
266.09326	6.7
267.10132	18.7
268.07324	3.7
268.10336	0.9
269.08005	1.6
276.07690	1.2
277.08569	44.5
278.09100	6.2
279.06531	6.6
281.08395	0.9
281.11554	1.8
282.08807	1.2
283.09625	3.3
293.07928	0.9
294.08829	20.9
295.09647	7.8
299.12888	1.4
301.21872	0.8
309.11172	28.6
310.04300	2.7
310.11304	1.6
312.09979	0.9
315.51492	1.0
327.12234	20.5
327.17697	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Limbatenolide D
Peak:m/z	Relative Intensity
50.38393	1.2
53.03954	1.5
55.01883	2.9
55.05507	3.7
58.06493	1.2
65.03952	2.3
67.05507	6.2
68.63310	1.3
69.03439	2.5
69.07065	5.4
69.09239	7.0
69.09642	2.2
69.16764	1.3
72.96484	1.2
79.05492	13.4
81.03407	3.5
81.07050	25.6
83.04969	1.4
83.08603	1.5
91.05479	37.3
93.07031	14.2
95.04974	6.6
95.08600	6.8
97.06560	1.5
98.22768	3.0
98.98460	100.0
100.24302	1.3
103.05464	3.9
103.20240	1.3
105.07023	82.1
107.04932	3.9
107.08579	11.8
109.06506	5.8
109.10152	2.0
115.05457	2.8
117.07003	15.9
119.04967	2.0
119.08575	63.3
120.08865	1.6
121.02856	2.6
121.06512	8.5
121.10144	5.1
123.08064	2.5
128.06215	3.8
129.06979	9.0
129.64799	1.4
130.07797	2.5
131.08563	39.1
133.06534	2.3
133.10107	18.3
137.05969	2.8
139.03912	1.3
141.06992	4.7
142.07800	5.2
143.08568	14.4
143.88710	1.3
144.09320	3.5
145.06482	6.0
145.10114	27.5
147.08049	17.9
147.11690	4.3
149.05995	5.1
154.07774	1.7
155.08527	10.9
156.09335	4.8
157.10101	17.7
158.10893	3.7
159.08127	6.7
159.11681	31.3
161.09534	3.1
165.06978	1.9
167.08525	3.4
168.09352	2.6
169.10106	9.7
171.08099	2.4
171.11720	10.2
172.08827	2.5
172.12407	2.3
173.09618	5.7
173.13257	27.9
174.14020	5.7
174.99220	10.8
175.14716	1.3
177.05405	3.0
177.09036	1.3
179.08507	3.5
181.10130	5.7
182.10919	2.9
183.11668	13.8
184.12260	1.7
185.09662	2.1
185.13202	4.5
187.11240	3.0
187.14818	20.9
188.15434	2.7
189.08987	2.7
193.10135	2.3
194.10971	1.8
195.11685	3.7
197.09560	3.2
197.13268	7.5
199.11143	2.2
201.09125	3.1
201.12724	61.7
202.13379	3.6
203.10747	1.6
205.10176	1.7
206.10881	2.4
207.11678	2.4
208.44228	1.3
208.46625	1.4
209.09518	2.2
209.13249	3.4
211.07556	1.5
211.11137	3.9
211.14752	7.1
213.09206	1.6
215.10555	1.8
215.14278	3.5
219.10175	3.7
220.12367	1.9
221.13133	3.3
223.11133	1.6
225.08955	2.7
225.16333	10.1
229.08591	1.6
231.10165	5.3
235.14923	6.6
237.12759	2.1
239.06969	3.4
239.10670	3.1
239.14392	3.8
243.10161	4.3
251.10449	1.8
253.15820	9.0
257.15396	3.5
263.14301	5.0
267.13757	3.8
271.16928	6.5
281.15372	19.3
283.17108	1.8
291.13855	2.6
299.16403	28.9
309.14746	12.7
310.04242	1.6
327.12238	6.7
327.15891	47.1
327.19318	1.8
328.16138	2.7
345.16965	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	327.1589
Annotation	Picealactone B
Peak:m/z	Relative Intensity
53.03936	1.3
55.01872	0.9
55.05507	3.5
55.60498	1.0
57.07068	1.0
58.06619	1.2
59.36317	0.9
62.60368	0.9
62.88264	0.9
67.05505	9.2
69.03416	1.5
69.07057	2.9
71.43290	1.2
78.97920	0.9
79.05481	4.3
81.03403	1.0
81.07062	6.2
83.04974	2.9
83.08607	0.9
83.10995	0.9
89.06051	1.0
91.05475	7.9
93.07049	11.6
95.04980	5.6
95.08604	14.0
97.06544	2.4
98.98467	100.0
103.05469	1.5
105.04521	1.3
105.07026	10.7
107.04989	1.3
107.08575	7.0
109.02886	1.9
109.06503	1.2
109.10136	2.4
111.04430	3.1
116.99523	3.0
117.07012	2.9
119.08576	34.9
121.06509	2.0
121.10139	8.1
123.08054	1.3
123.11691	1.3
124.21132	1.0
125.05989	1.0
129.06963	2.2
131.08566	3.0
133.06480	3.4
133.10133	6.2
135.04462	0.9
135.11696	2.9
141.07031	1.0
143.08545	1.9
145.10121	4.1
147.08066	1.2
147.11705	1.4
148.46204	1.0
149.05981	1.1
150.53476	0.9
153.05470	7.0
153.06758	1.1
155.08562	1.6
156.09357	1.1
157.10133	1.6
159.08080	1.4
159.11696	3.0
161.06010	1.1
161.09549	0.8
161.13257	12.7
169.06532	1.0
169.10124	1.7
171.07996	0.8
171.11674	1.2
173.09596	1.0
173.13234	2.2
174.99196	11.3
175.07526	1.5
175.11172	1.0
177.05409	6.6
179.03389	2.7
179.07137	4.7
179.08430	1.2
181.10172	1.0
183.11661	1.6
185.05978	1.0
189.12738	1.6
193.04945	1.7
193.08585	3.5
195.08051	1.1
199.14725	1.1
201.09119	5.0
205.04953	18.5
207.06506	18.2
207.11716	1.8
209.09595	1.7
211.11208	1.4
217.08563	3.4
219.06477	2.0
221.13196	1.1
223.11096	2.1
224.11954	1.4
225.09111	3.4
225.12671	1.3
227.10704	2.6
229.19427	1.4
230.11095	1.0
233.07991	11.9
234.10468	1.1
235.05211	1.0
235.14789	1.3
239.10637	2.9
239.14291	2.3
240.11537	2.1
248.12120	1.3
249.12517	1.1
250.99927	1.6
251.10666	2.2
252.11711	1.4
253.12285	1.9
253.15990	1.6
257.15390	2.0
263.14334	2.8
266.13040	3.7
267.10120	2.2
267.13782	2.4
268.11127	1.9
279.10370	1.1
281.11771	2.9
281.15356	11.7
282.15842	1.3
285.14838	11.5
291.13754	4.0
294.12421	4.2
297.11288	2.2
299.16492	2.6
309.14813	22.1
310.15268	2.2
312.13620	4.5
326.34390	4.2
327.07837	3.6
327.15952	19.7
327.19669	2.0
327.22751	4.4
327.34439	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88767	0.3
55.05500	0.4
55.07697	0.3
60.63491	0.3
63.83650	0.3
67.05503	2.5
68.99789	0.7
69.55885	1.1
79.05479	0.7
81.07062	2.6
82.97908	0.3
83.01338	1.4
89.41718	0.3
91.05467	2.1
93.07040	2.1
95.04962	0.5
95.08593	3.3
98.98458	32.8
103.05470	0.6
105.07008	0.9
107.08598	0.8
109.06516	0.3
109.10146	8.7
116.99487	0.5
119.08583	0.3
121.02826	0.5
121.06499	6.8
121.10132	3.2
123.11668	2.2
131.04924	2.8
134.03621	1.7
135.11673	0.6
147.04424	0.7
149.05981	3.3
159.04398	1.0
162.03105	12.7
174.99214	3.7
177.05440	2.7
190.02588	19.8
191.02931	0.5
193.04941	0.4
205.04947	100.0
206.05280	2.6
207.06520	1.5
219.06505	6.7
231.06543	0.5
233.08086	3.3
244.72473	0.3
245.08038	0.3
246.07597	0.4
247.09645	1.7
251.00098	0.5
257.08121	0.3
259.09677	0.7
271.06903	0.4
271.09622	3.0
285.11148	0.8
327.15897	11.5
328.16205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01874	0.7
55.05508	1.3
57.03431	0.6
57.07059	0.7
67.05495	3.3
69.03416	0.7
69.07061	0.7
71.04988	3.2
77.01614	0.4
79.05476	2.9
81.07050	3.2
83.04971	1.1
83.08602	0.4
84.05113	0.6
84.05623	10.2
85.05373	0.6
85.05967	1.6
85.06528	9.4
91.05468	3.5
93.07035	2.5
95.04967	1.4
95.08601	2.2
97.06510	1.2
98.22623	0.7
98.98459	100.0
99.08003	0.3
105.07027	3.2
106.39382	0.3
106.91832	0.3
107.04926	0.6
107.08578	1.4
109.06517	0.7
109.10157	0.7
113.00005	0.8
115.05405	0.6
116.99506	2.1
117.07009	1.4
119.04932	0.9
119.08568	1.7
121.02852	4.8
121.03718	0.5
121.06458	0.8
121.10162	1.2
122.03185	0.4
123.08035	1.6
125.00018	0.6
125.05978	0.5
129.07004	0.6
130.07764	0.5
131.08548	2.8
133.06499	0.6
133.10118	1.0
135.08041	0.9
135.11679	0.6
137.05997	0.7
137.09598	0.6
140.01027	0.4
141.06926	0.5
143.08540	0.9
145.02838	0.6
145.06480	0.7
145.10139	1.8
147.08057	0.4
147.11671	0.8
149.02338	0.5
149.09592	1.0
151.11208	0.4
155.08496	0.4
157.10139	0.8
159.11649	1.3
161.13231	0.4
163.03935	0.7
163.11142	0.4
169.10072	0.4
171.11668	0.8
173.05951	0.6
174.99223	10.6
175.11137	0.3
185.13321	0.3
187.14799	0.4
189.12697	0.4
191.07004	0.7
197.05962	0.8
209.07979	0.4
213.16368	0.6
214.99321	0.5
217.12163	0.5
225.10161	0.7
227.17868	0.4
229.04941	0.9
229.19388	0.3
234.06677	0.5
237.16347	0.7
239.06999	6.9
240.07523	0.4
247.20590	0.8
249.18562	0.7
250.99989	1.3
252.07848	0.4
253.09682	2.5
255.06525	0.7
255.17372	0.7
267.06549	2.1
267.10355	0.6
268.07315	0.4
273.18506	1.7
276.07693	1.1
279.10336	0.5
281.11713	1.0
283.09418	0.4
291.10080	2.0
291.19492	2.9
309.11234	1.8
309.14536	0.4
309.20633	2.7
310.04172	0.6
312.10907	0.5
327.08356	1.2
327.12238	23.7
327.21539	1.3
328.12537	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.9
53.03946	3.3
55.01874	2.0
55.05511	9.0
55.05734	1.8
56.35599	1.4
57.03415	1.7
57.07058	4.7
59.05011	1.8
65.03946	2.2
67.05501	13.3
69.03397	1.3
69.07064	6.3
77.03931	5.5
79.05488	10.4
81.03414	2.7
81.07050	14.4
83.08590	2.6
84.63676	1.4
85.06533	2.8
91.05475	17.3
93.07045	32.8
95.04964	52.0
95.08607	21.4
97.06543	7.0
97.07050	1.3
98.22681	2.6
98.98462	100.0
103.05491	2.2
105.04514	5.8
105.07027	28.9
107.05000	2.1
107.08579	16.3
109.06493	4.5
109.10143	10.7
110.20483	1.4
111.08051	1.6
115.05506	2.3
116.99528	2.4
117.06995	7.2
119.08575	28.1
121.06524	6.7
121.10154	11.7
123.08057	3.3
123.11686	3.5
123.70939	1.3
128.06181	2.8
129.06961	3.3
130.07748	3.3
131.08557	13.0
133.06421	2.4
133.10107	20.1
135.08061	3.9
135.11673	5.7
137.09605	2.0
141.06941	1.8
142.07744	5.4
143.08577	8.5
144.09302	2.1
145.10126	20.2
147.08034	2.1
147.11656	5.2
149.09634	1.8
152.06209	18.8
153.06982	15.4
155.08525	3.3
156.09297	3.8
157.10106	16.4
159.08081	1.8
159.11679	18.1
161.09624	5.0
163.14746	1.8
167.08629	2.5
168.05655	7.5
169.06477	2.2
169.10107	7.7
170.10854	2.0
171.08044	1.7
171.11699	7.1
172.12456	1.9
173.09573	2.5
173.13258	8.4
174.99252	9.9
175.14848	8.7
179.08534	2.3
181.10083	2.6
182.10883	1.4
183.11661	5.7
185.13255	5.3
187.11296	2.1
187.14799	6.0
193.10031	1.7
195.11665	2.4
196.12459	1.5
197.13301	4.7
199.14769	3.1
201.12608	2.1
201.16418	1.8
202.07686	1.6
207.11633	1.5
209.13284	4.4
211.14764	3.8
213.16319	2.4
215.02568	4.9
217.15831	2.4
223.14806	3.2
225.16331	2.6
228.09264	5.2
228.74110	1.3
229.09920	2.7
233.03601	24.1
235.14795	2.0
247.85123	1.4
251.04668	11.6
309.22302	3.7
327.07770	68.2
327.23132	7.5
328.08017	5.5
328.35754	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
54.23404	1.3
55.01855	1.4
55.05506	12.7
56.32964	1.2
57.03419	2.3
57.07057	4.9
65.03935	2.7
67.05496	24.2
69.07060	17.3
69.64783	4.8
71.04972	2.3
72.26421	1.3
75.25854	1.4
77.03918	2.3
77.69261	1.3
79.05490	15.9
80.46744	1.4
81.03381	2.8
81.07050	37.6
82.24911	1.5
83.04944	1.4
83.08614	5.2
85.06497	2.3
88.82667	1.4
91.04935	2.1
91.05474	23.7
93.07037	48.1
95.04956	38.8
95.08599	46.9
95.09206	2.5
97.06503	8.1
97.10178	2.5
98.98457	100.0
103.05465	2.8
105.04537	2.0
105.07018	38.4
105.07730	2.1
107.08591	33.3
109.06523	6.5
109.10149	25.1
111.04410	6.4
111.11736	2.5
115.05464	2.6
116.99483	3.0
117.07000	9.1
119.08569	44.3
121.06501	9.1
121.10134	27.6
123.08048	5.7
123.11684	10.3
124.49980	1.3
127.03860	2.8
128.06215	2.1
129.06996	6.1
130.07767	2.5
131.08546	12.8
133.06479	2.9
133.10120	25.4
135.08035	6.1
135.11694	14.7
137.09628	3.4
137.13213	5.3
142.07768	5.0
143.08527	10.9
144.09288	3.7
145.10126	19.9
147.08047	2.3
147.11668	12.9
149.09633	3.0
149.13231	8.3
151.07492	1.9
151.14859	1.7
153.05450	3.3
153.06876	1.3
155.08522	5.1
156.09340	3.0
157.10127	15.2
158.10901	3.1
159.08105	1.5
159.11673	20.5
161.09605	5.7
161.13208	13.4
163.14824	6.9
165.07013	1.6
167.08528	2.7
169.10114	8.2
171.11649	6.8
173.09641	2.5
173.13214	11.3
174.99188	12.8
175.11153	3.1
175.14784	14.7
177.16347	4.9
179.03345	1.9
179.08505	2.6
181.10043	3.9
182.10837	1.4
183.11699	5.8
185.13228	4.7
187.11151	4.1
187.14738	8.4
189.16338	5.2
193.10173	2.2
195.11626	4.4
197.09599	1.7
197.13297	6.3
199.14774	5.6
201.08957	1.7
201.12779	1.4
201.16331	3.4
203.17931	4.4
205.05023	4.1
207.06523	2.9
209.13176	3.6
211.14775	3.0
213.16388	1.9
215.14302	1.5
215.18036	1.9
217.15863	3.6
217.19536	6.3
221.13112	2.9
223.14796	3.3
225.16331	3.1
227.14267	2.0
229.15752	1.9
231.21100	2.1
233.08003	3.2
234.14543	1.6
235.14774	2.2
239.14429	1.6
243.10329	1.6
243.21051	1.5
253.15735	2.7
253.19624	1.6
257.22690	2.3
269.11911	1.7
271.20587	1.6
281.15378	2.5
285.14920	2.7
291.13776	1.6
309.14697	9.2
309.22055	5.8
310.15207	1.3
310.31070	1.7
327.07913	3.4
327.15936	6.0
327.23090	10.4
327.26520	2.5
327.30402	27.3
328.30664	1.4
334.22827	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	327.2317
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
55.01868	3.6
55.05507	11.6
55.11185	2.0
57.03446	4.3
57.07062	3.0
61.76212	2.0
67.05490	18.1
69.03437	2.6
69.07071	12.4
71.04992	9.5
79.05490	12.3
81.07050	15.4
83.08621	3.4
89.06039	5.6
91.05485	16.6
93.07040	34.6
95.04967	26.5
95.08601	45.0
97.06527	4.0
98.98464	100.0
105.07028	44.4
107.08589	31.5
109.06519	10.8
109.10139	3.7
115.05439	2.9
116.99495	2.6
117.07010	16.5
119.08585	12.2
121.06510	7.2
121.10125	10.0
123.08069	7.2
123.11746	3.7
128.06268	2.9
129.07022	4.4
130.07782	8.0
131.08598	2.8
133.08658	2.8
133.10138	7.4
135.08067	18.8
135.11696	10.4
143.08592	3.0
145.10127	39.1
147.11668	3.1
149.09598	4.2
149.13277	2.8
154.16029	2.2
157.10135	2.4
159.11745	2.9
161.13255	2.4
163.11192	28.4
165.12743	3.8
169.10011	2.5
174.99196	11.1
187.11264	2.2
191.14316	13.5
193.15913	4.6
205.15871	17.8
217.15942	4.6
240.65529	2.1
247.16959	5.8
277.19485	2.4
309.22131	3.5
327.23114	39.5
328.23138	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1179
Annotation	Corycularicine
Peak:m/z	Relative Intensity
53.03939	2.4
55.01873	3.4
55.05514	5.8
56.05035	1.9
56.05838	0.9
56.96558	1.0
57.03437	3.2
57.24886	0.8
58.06599	3.4
59.05003	0.9
65.03946	2.0
67.05502	13.7
68.05037	1.5
68.05826	2.4
68.14506	0.8
68.99789	5.5
69.03436	1.7
69.07067	3.6
70.06592	20.7
71.04980	2.6
71.06914	4.0
71.07291	0.7
71.26608	1.2
72.04514	5.4
72.08153	32.7
73.08484	5.8
75.04518	0.9
77.03922	2.2
79.05493	10.8
80.04989	0.9
80.05825	3.8
81.03421	7.7
81.07056	4.6
83.04990	6.9
84.04506	0.8
84.08142	11.6
85.08477	2.4
86.06040	1.1
88.07639	2.7
91.05475	6.2
92.05840	1.6
92.23241	0.8
93.03401	2.2
93.07041	1.4
94.06607	1.3
95.01334	1.9
95.04958	9.0
95.08607	8.6
96.04514	4.4
96.08189	1.2
97.02858	1.2
97.06546	2.0
98.02423	1.8
98.06061	1.2
98.09691	5.6
98.98465	100.0
99.10038	2.0
100.07615	79.0
101.07314	1.5
101.07944	19.6
102.08078	2.8
103.05460	14.8
104.04968	0.9
105.03400	3.2
105.04538	1.7
105.07029	5.1
106.06598	0.8
106.07353	2.6
107.04957	3.5
107.08587	6.5
107.21687	0.8
108.08205	1.1
108.08949	3.2
109.02882	6.8
110.06035	8.6
110.09675	21.6
111.04449	3.9
111.10009	7.0
112.07614	1.0
112.11247	2.4
113.06064	0.7
114.05537	0.9
116.99525	2.1
117.10244	1.0
120.08108	2.1
121.02850	8.0
122.06004	4.6
122.09708	1.0
123.00786	0.9
123.04422	5.2
123.08073	3.3
124.07591	2.8
124.11234	11.7
125.09619	10.7
125.11581	3.5
126.09184	5.4
126.09914	5.0
127.09486	3.5
127.12315	1.2
129.13945	1.2
131.04922	49.8
133.02847	3.7
135.04427	3.3
136.07588	1.9
137.02335	15.8
138.05498	4.3
139.03905	5.3
140.10669	1.0
141.09126	1.3
142.08659	1.6
143.11792	2.9
144.12120	3.2
145.02834	1.8
147.07933	1.0
150.05530	3.6
151.03915	10.2
151.09105	0.9
152.10738	1.5
153.05565	1.1
154.08627	1.4
155.11877	1.1
161.02344	4.8
163.03912	1.8
165.01865	2.1
165.05412	1.1
167.03389	1.2
167.08644	1.0
169.04977	5.6
169.13342	1.4
170.10130	0.9
171.14902	9.5
174.99214	8.2
176.14345	3.0
176.98950	3.0
177.05457	3.1
177.14709	4.9
178.04955	5.3
178.15007	1.8
179.03384	31.5
183.02870	1.0
184.09735	2.3
187.14465	3.2
188.14819	1.9
188.17589	4.1
189.01863	3.9
189.14810	0.8
191.08530	0.9
194.15439	3.4
194.18999	1.0
195.15771	2.5
196.06047	16.8
196.17107	5.0
197.04480	20.5
197.06241	1.8
197.17261	1.0
202.10742	6.1
202.15538	1.6
203.15848	1.8
204.13864	0.9
204.15956	1.8
206.04480	20.8
206.08151	3.2
207.02888	33.8
208.03229	1.4
211.18106	0.8
212.16588	9.6
212.20082	24.5
213.19624	1.7
222.14853	0.9
223.07501	1.6
223.15286	1.6
224.05536	18.2
224.09096	1.2
225.03964	4.5
225.05843	1.0
237.09135	3.3
240.15935	4.7
242.06673	2.0
243.04935	1.1
251.00011	1.4
255.19109	1.1
256.19916	1.1
257.18484	1.2
265.08575	7.5
266.08978	1.0
267.10205	1.1
268.79843	0.9
269.07861	0.8
282.11124	6.0
283.09488	4.5
293.04776	1.9
293.08121	4.5
308.23248	1.5
309.23627	7.9
310.10776	21.3
310.14352	3.9
310.24133	12.7
311.08658	5.5
311.23141	2.4
311.26782	1.8
327.24689	11.3
328.11685	4.7
328.15448	1.3
328.25534	37.2
328.29666	13.7
329.10263	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.6
60.05659	4.2
64.07012	0.9
67.19440	0.8
69.69066	0.9
70.06588	26.5
70.12180	0.8
71.04977	3.5
71.40694	0.9
72.08140	3.5
83.00961	7.6
86.09697	3.2
97.07642	2.1
98.97701	1.7
98.98460	55.8
100.03631	1.1
100.07598	3.4
101.02013	6.6
102.02046	0.8
112.03598	10.1
112.08736	2.7
116.05550	2.1
116.98624	1.1
118.04617	5.6
123.08052	0.9
123.97180	0.8
124.11208	2.2
125.05616	0.9
126.03963	1.3
127.07198	1.8
128.05574	2.6
130.04610	4.2
132.06169	1.9
134.06641	1.0
136.05692	1.2
137.05643	2.4
138.03999	2.3
140.06668	3.8
142.08214	8.0
144.05054	3.3
146.06596	1.4
148.05626	1.2
148.39610	0.8
148.48402	0.9
149.04535	1.1
150.05266	1.0
151.08325	1.1
152.06689	4.5
153.05064	3.7
153.09804	1.8
154.08241	6.1
155.06639	25.3
156.05066	4.9
157.10869	2.1
158.07680	1.0
159.10889	1.4
159.96901	0.9
160.08130	1.3
160.09283	5.9
162.06158	1.8
166.07240	19.5
167.05637	1.9
167.07692	0.9
167.53735	0.9
168.06177	3.5
169.09338	19.1
170.07715	4.0
170.09267	1.8
171.06117	6.6
171.10889	34.5
171.14839	1.3
172.08223	1.0
172.09309	12.1
172.10915	2.2
172.94281	2.4
173.07712	61.4
174.06096	1.7
174.07846	2.7
174.99210	3.8
176.98950	1.4
179.00685	3.6
179.07739	2.0
180.06209	2.1
186.07191	1.6
187.05670	1.6
187.10368	11.4
188.17618	1.6
189.10217	1.7
189.11948	29.0
190.12073	2.1
190.95332	1.5
191.08766	1.0
197.08844	9.3
198.07219	3.8
198.08968	1.4
200.08827	1.5
201.33757	1.0
203.00763	1.2
209.11267	0.9
211.08107	1.1
214.95346	1.9
215.09879	44.7
216.08278	7.8
216.10075	3.0
217.09668	2.6
219.02049	1.2
221.01758	8.1
223.12833	1.3
223.55016	0.8
232.96468	5.6
233.10925	15.1
234.11125	1.7
235.10789	1.2
238.13979	22.5
239.12244	1.3
240.15605	2.1
241.13837	1.6
244.79472	1.0
250.13985	2.4
250.97536	2.7
251.12308	1.2
257.13449	1.1
259.14825	1.3
261.99847	1.5
263.02829	5.1
268.15021	35.5
269.15274	3.2
285.99872	1.8
286.04434	6.1
286.16080	100.0
287.16577	7.4
304.00992	3.5
304.05371	1.9
305.00739	1.4
309.17770	1.4
310.17181	37.8
311.15759	2.6
328.18262	76.9
328.25760	5.7
329.06699	1.7
329.10406	1.8
329.18420	8.2
346.04956	5.0
346.19363	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	328.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.1
55.05508	0.2
56.18852	0.1
56.54437	0.1
57.07044	0.1
58.31078	0.1
66.29476	0.1
66.57768	0.1
67.05484	0.4
69.07053	0.2
69.14761	0.7
78.03438	0.5
79.04218	0.2
79.05485	0.5
79.34303	0.1
80.05006	3.1
81.07049	0.5
85.06503	0.1
91.05466	0.2
93.07032	0.5
95.08582	0.9
96.04486	1.3
98.23507	0.2
98.98454	1.3
105.07010	0.5
106.02885	0.3
107.08571	0.3
108.02073	0.7
108.04462	0.1
108.35151	0.1
109.10127	0.2
117.06995	0.1
117.69579	0.1
119.08527	0.6
121.10128	0.5
124.03936	100.0
125.03404	0.2
125.04264	1.6
131.08560	0.5
132.05678	0.5
133.06485	0.7
133.10118	0.4
135.04399	0.4
135.11673	0.2
136.01550	0.6
143.08560	0.1
145.10120	0.8
147.11673	0.2
154.02589	0.4
159.11667	0.3
161.13188	0.1
169.06396	0.2
177.16313	0.2
187.14799	0.9
197.06088	0.1
205.15843	0.4
210.55988	0.1
211.07484	0.1
240.07851	0.4
252.67407	0.1
268.04395	0.2
268.07269	3.5
285.07422	0.2
296.06754	3.2
313.07001	0.2
314.07794	0.9
320.90302	0.1
328.19019	10.5
328.31992	0.3
329.10141	7.7
329.18893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80469	2.1
55.05508	12.0
55.44878	2.4
57.03417	3.7
59.57362	1.9
67.05500	22.3
69.07059	7.9
69.17630	9.2
69.18037	4.6
71.04964	4.1
79.05483	21.8
81.03403	3.3
81.07050	19.3
83.08621	5.5
91.05499	13.9
93.07035	22.6
95.04969	7.2
95.08596	13.1
96.17695	2.1
97.10175	10.2
98.98459	100.0
101.57721	2.0
105.07039	10.4
107.08572	15.0
109.10175	11.9
110.71220	2.3
119.08584	9.7
121.10137	11.5
124.03944	37.0
125.09621	8.8
131.08519	4.9
133.10133	7.4
137.09616	4.2
145.10158	3.7
147.08044	2.5
147.11781	3.0
155.10812	2.4
159.11720	3.1
173.11674	5.6
173.13162	3.7
174.99190	6.2
189.11218	7.1
198.78946	2.5
275.20026	8.3
328.19135	3.5
329.17212	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10725	2.9
53.03940	3.1
55.01857	6.3
55.05262	4.4
55.05508	49.0
67.05493	33.4
69.03413	13.2
69.06712	5.4
69.07061	78.5
69.22582	18.7
77.09914	2.8
79.05482	35.3
81.03412	18.8
81.07048	39.5
83.04964	9.1
83.08615	34.5
83.09440	3.1
91.05473	26.0
93.07043	24.2
95.04944	8.5
95.08599	21.6
97.06522	8.5
97.10157	49.8
98.98460	86.9
105.07023	21.6
107.04936	4.7
107.08583	59.8
109.06476	3.1
109.10124	8.1
111.04417	8.1
111.08081	5.2
117.06973	8.6
119.08579	18.3
121.06519	5.7
121.10158	8.7
125.09628	46.8
129.07031	3.7
131.08585	17.2
133.10112	14.6
135.08038	10.0
135.11691	6.9
143.08545	10.1
145.10068	16.7
147.11684	7.7
149.09602	24.8
157.10097	5.9
159.08086	5.1
159.11632	8.3
161.13235	9.7
163.11180	12.8
171.10149	8.2
173.13254	13.0
173.34462	3.1
174.99207	9.6
176.98956	3.5
177.12782	3.8
179.14307	10.9
187.11241	4.9
189.11208	65.1
197.13330	3.9
201.12764	4.1
205.10248	4.2
229.12021	3.8
229.19461	3.8
239.17932	3.3
257.18896	18.0
275.20032	100.0
289.57697	3.2
293.21149	10.6
311.16373	4.4
329.06302	3.6
329.17386	18.1
330.78476	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.8
56.00911	2.2
57.03418	3.0
59.05003	2.3
67.05502	25.5
68.38844	2.0
69.07063	8.3
70.03460	4.6
72.18938	2.2
77.64978	2.2
79.05489	20.8
79.92715	2.2
80.82185	2.2
81.03391	2.7
81.07047	16.4
82.42737	2.3
83.04965	2.7
83.08604	4.5
84.10130	2.4
91.05473	11.3
93.07061	14.7
95.04967	6.9
95.08604	13.0
97.08576	2.3
97.10143	4.9
98.98463	100.0
105.07020	10.8
107.08580	8.7
109.10166	17.9
110.66978	2.2
117.06983	2.9
117.73574	2.2
117.98345	2.2
119.08569	10.2
121.10141	9.1
125.09670	4.5
131.08551	3.5
133.10114	6.1
137.09596	4.2
145.10094	2.8
147.11668	5.3
154.12207	3.9
172.13365	4.0
173.11751	9.2
174.99275	5.5
176.98862	3.0
189.11139	2.5
263.86063	2.1
269.49341	2.3
275.19879	6.5
299.51410	2.4
352.81985	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.1
61.33300	2.2
67.05490	7.7
69.07066	5.2
71.53428	1.9
72.27821	2.2
74.09503	1.9
77.85944	2.4
79.05480	4.4
81.03381	3.3
81.07043	12.5
83.08597	2.3
91.05450	5.8
93.07039	7.6
95.04960	3.0
95.08575	4.3
98.09666	7.5
98.98457	100.0
105.06995	5.1
107.08580	4.1
119.08537	3.7
121.10140	2.7
131.08549	2.4
133.10103	4.3
135.11670	2.8
145.10033	2.6
147.11646	2.6
149.13266	2.6
153.35971	2.3
163.07481	2.4
173.13191	2.7
174.99216	7.0
176.98856	3.4
181.12215	3.3
195.13826	2.4
196.47849	2.3
234.27159	2.2
275.19901	4.8
283.20599	2.3
328.18716	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	328.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29158	0.7
55.05516	1.1
56.05038	0.9
58.06347	0.8
58.06598	3.7
62.67167	0.7
67.05504	3.2
68.05018	0.8
68.56093	0.7
69.03415	1.3
69.84576	2.5
70.06593	20.4
71.04981	1.3
72.04517	6.5
72.08154	18.7
79.05487	2.6
81.07063	4.1
84.08139	8.4
85.22329	0.8
93.07066	1.0
96.08130	0.7
97.08944	0.8
98.09688	4.4
98.98459	2.3
99.08092	1.7
100.07615	100.0
101.07960	2.3
107.08591	1.0
108.08111	3.4
110.09677	25.6
114.09137	0.7
121.10149	0.8
123.10474	1.5
124.11249	0.8
125.09647	1.3
126.09117	1.0
127.12316	2.6
128.10788	1.0
136.11215	1.3
153.10190	0.7
156.13840	1.1
169.13333	0.8
171.11311	1.3
173.12915	0.7
187.14424	13.5
194.15385	1.7
196.16959	68.1
197.17314	2.5
198.18488	0.8
221.98271	0.7
224.16431	9.1
232.75439	0.7
286.25040	1.0
296.90741	0.7
310.24866	0.9
311.23270	1.8
328.25928	76.9
329.26147	4.7
339.43585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.2
57.03431	7.2
58.06593	2.7
59.05000	4.7
62.76119	0.9
67.05502	29.6
69.07040	1.3
70.06599	15.5
70.47733	1.5
70.48050	1.5
71.04996	1.4
71.93559	1.1
72.04527	4.9
72.08154	28.9
75.82784	1.0
79.05493	35.8
79.05951	2.1
81.07059	11.5
83.04981	22.2
84.08141	4.4
91.05488	4.1
95.04961	2.9
95.08605	1.8
98.09705	1.3
98.98479	0.9
100.07621	91.1
101.07957	1.3
105.07040	3.1
105.35619	1.1
107.08596	37.4
109.06525	1.9
110.09685	9.5
118.27705	0.9
119.06030	1.4
119.37347	1.2
124.10490	0.7
124.11229	45.2
125.09632	100.0
126.09950	2.2
128.10690	1.3
136.11256	1.1
150.76501	1.2
152.10710	7.4
178.15898	2.3
187.14413	12.6
196.17003	4.4
204.17068	18.6
206.15318	1.3
224.16365	6.7
256.20200	15.8
310.24936	10.2
328.25931	59.7
329.26431	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.05030	0.9
58.06590	2.8
62.54254	0.5
65.30757	0.5
67.05505	3.8
68.05022	0.6
69.03428	0.7
69.07066	0.8
70.06593	17.3
72.04514	6.6
72.08155	25.4
73.08519	0.5
79.05502	2.9
79.64086	0.5
80.04974	0.6
80.39913	0.5
81.03411	0.6
81.07056	6.3
83.08600	0.7
84.08138	8.3
85.06598	0.6
86.06110	0.6
88.07624	0.8
91.05488	0.7
93.07055	1.4
94.06571	0.6
95.08607	1.2
96.08138	1.9
97.08930	1.1
98.06065	0.8
98.09692	8.2
98.98461	8.2
99.08107	2.6
100.07617	100.0
101.07941	2.3
103.05442	1.1
106.29863	0.5
107.04950	0.8
107.08604	1.6
108.08147	1.1
109.10165	0.9
110.08958	1.1
110.09679	14.8
110.10437	0.9
111.10538	0.6
117.10248	0.7
120.08144	0.6
121.10138	1.2
122.06084	0.5
123.08131	0.8
124.11177	0.8
125.09641	0.6
126.09147	0.8
127.12360	1.1
128.10695	0.8
131.04082	0.5
131.04912	2.6
136.11208	3.6
137.02333	0.7
151.03835	0.6
151.93985	0.5
152.91469	0.4
156.13861	0.5
159.44229	0.6
164.10745	0.6
171.11307	1.1
171.14984	0.7
179.03453	1.3
187.14410	15.9
188.17552	0.6
190.70255	0.5
194.15440	1.9
196.16968	59.1
197.04436	0.9
197.17284	1.8
206.04469	1.2
207.02917	1.8
212.16429	0.6
212.20139	1.4
224.05559	0.9
224.16473	12.0
230.18637	2.9
244.73227	0.6
282.11179	0.7
286.24997	0.8
310.10715	1.0
310.24753	1.0
311.23407	0.8
313.64337	0.6
328.25934	72.4
329.26193	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	328.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
56.05034	1.2
58.06594	3.7
67.05495	2.6
69.60677	0.6
69.80196	1.6
69.80520	1.3
70.06588	18.8
70.79566	0.8
71.05000	1.1
72.04515	4.9
72.08151	22.3
72.70106	0.7
79.05501	2.4
81.07048	7.2
84.08138	7.1
87.38414	0.8
93.07036	1.1
96.08149	2.2
98.09684	5.9
99.08070	2.8
100.07612	100.0
101.07941	2.4
107.08605	1.2
108.08127	1.2
109.10133	1.1
110.09673	14.3
127.12321	1.6
128.10742	1.0
136.11234	3.6
171.11238	1.1
187.14404	14.9
194.15422	2.0
196.16957	62.8
197.17339	1.7
198.18552	1.2
206.15527	0.8
224.16443	12.2
230.18646	2.6
303.73727	0.7
311.23282	1.8
328.25912	59.8
329.26254	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	328.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
56.05022	0.7
58.06607	3.4
67.05506	4.6
69.03418	1.1
69.89110	2.0
70.06590	18.2
71.04989	1.9
71.40421	0.6
72.04516	6.2
72.08151	19.1
79.05494	2.6
81.07054	3.8
84.08144	9.6
84.97333	0.7
93.07050	1.4
95.07329	1.0
95.08618	1.2
96.08121	1.4
98.09695	5.3
98.98477	5.8
99.08073	1.4
100.07614	100.0
101.07959	1.3
107.04996	1.0
107.08588	1.4
108.08102	3.9
110.09677	22.5
121.10144	1.0
122.09636	0.8
124.11261	1.1
125.09634	1.5
127.12320	2.1
128.10703	1.2
131.93140	0.7
136.11230	1.5
149.09560	1.2
171.11241	1.7
187.14410	11.5
194.15517	0.8
196.16962	63.6
197.17325	2.3
224.16443	10.7
230.18794	0.8
286.24554	0.9
311.23358	0.9
328.25925	68.0
329.06366	0.9
329.26273	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	328.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34562	0.6
55.05505	1.4
55.40086	0.5
55.75634	0.5
56.05031	1.6
57.03432	5.9
58.06602	3.7
58.76447	0.5
59.15152	0.5
67.05490	3.7
68.05024	1.0
68.74386	0.5
69.05798	0.7
69.07050	1.0
70.06589	20.2
72.04511	7.0
72.08153	25.8
79.05482	5.9
81.07052	18.9
84.04430	0.7
84.08141	10.8
86.06065	1.1
92.98228	0.6
93.07042	1.4
95.08635	0.6
96.08128	2.1
98.09688	16.5
98.22713	2.1
98.98469	1.2
99.08081	7.6
100.07613	100.0
101.07949	1.9
101.10767	0.8
107.04939	0.9
107.08584	4.7
108.08073	1.3
109.10184	1.2
110.09674	12.8
111.10471	1.2
115.08659	0.7
117.10262	1.9
120.08122	2.2
121.10172	1.0
124.11245	1.5
125.09629	5.8
126.09139	1.5
127.12315	2.4
128.10704	1.0
129.10236	1.8
134.09665	1.0
136.07573	0.8
136.11188	3.0
138.09161	0.7
140.10681	1.1
148.11186	0.8
148.70195	0.5
149.09587	1.3
149.11922	0.5
166.12251	0.8
169.13319	0.9
178.12387	0.9
178.14362	0.5
178.15800	2.6
182.44640	0.6
186.15968	0.6
187.14413	16.0
194.15367	1.0
196.16957	43.4
197.17404	1.4
204.17012	1.9
206.15413	0.6
224.16441	15.4
225.16786	0.8
230.18616	11.1
257.18597	0.6
268.20166	0.6
286.24780	0.9
310.24826	1.2
311.23239	2.3
328.25919	87.7
329.26248	4.7
338.65182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30864	1.1
55.01848	1.2
55.05508	6.9
55.17079	1.1
57.03432	6.3
58.06585	3.3
59.04996	3.3
61.11074	1.3
67.05502	28.8
69.07069	1.8
69.34222	6.4
70.06590	12.2
72.04519	6.2
72.08150	22.3
73.85243	1.1
79.05489	33.0
81.07067	8.9
83.04971	23.0
84.08147	2.4
91.05466	3.6
94.49017	1.2
95.01332	4.0
95.04942	1.7
98.98461	22.4
100.07611	76.3
101.07930	1.3
105.07063	2.6
107.08589	38.2
108.08945	1.4
110.09660	8.1
115.33078	1.3
124.11222	40.4
125.09624	100.0
126.09992	2.0
126.60777	1.2
138.09096	1.3
152.10690	5.2
163.00294	1.7
178.15858	1.2
187.14394	7.3
190.99767	4.4
196.17021	4.5
204.17088	19.5
209.00844	3.2
224.16418	4.6
244.49521	1.4
253.32373	1.2
256.20212	15.7
310.24765	10.1
311.05551	1.6
311.23071	1.7
328.25925	52.4
329.26276	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73158	0.8
55.01860	1.3
55.05513	4.2
57.03428	4.3
58.06588	2.6
59.04993	1.9
67.05500	18.1
68.01293	0.8
69.07060	1.0
69.34426	4.6
70.06589	7.9
71.04985	1.0
72.04504	3.9
72.08147	11.0
79.05488	20.6
81.07059	5.9
83.04980	11.4
84.08117	1.8
86.09705	0.9
91.05449	2.4
95.01323	6.6
95.04948	2.2
95.08604	1.0
96.66813	1.1
98.98461	100.0
100.07613	46.2
100.98881	1.4
107.08596	21.9
107.09348	1.3
110.09640	4.6
116.99463	1.6
119.08549	1.0
121.06409	1.1
124.07581	1.2
124.11226	21.8
125.09627	56.7
126.09992	1.3
131.06371	1.2
135.00784	0.8
135.77376	0.8
136.67374	0.9
148.02478	0.8
152.10684	5.0
163.00275	1.4
167.02077	1.0
171.11647	1.8
174.99171	6.6
175.99545	0.9
176.98911	3.2
178.15900	0.9
181.01317	1.7
186.13872	1.1
187.14398	6.5
190.99702	7.0
196.16995	3.9
199.02107	0.7
199.14856	0.9
204.17084	8.5
208.00627	1.8
208.02399	1.7
209.00716	6.6
210.01047	0.9
224.16423	3.4
252.99844	1.3
256.20187	6.8
310.24896	4.4
311.05441	3.7
328.25922	31.6
329.17404	1.8
329.26105	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96474	23.7
71.41817	29.9
72.08167	28.8
98.98488	100.0
100.07616	72.3
124.11278	33.4
125.09653	55.7
137.99245	25.2
149.56010	23.1
209.15800	24.6
222.68575	24.0
231.08498	23.9
239.63098	28.4
284.23849	35.0
299.05356	29.0
328.25769	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	329.1016
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
51.76964	0.4
53.03940	1.3
53.92745	0.4
55.01867	1.0
55.05281	0.3
55.05509	2.4
56.08047	0.4
57.03433	0.7
60.38898	0.4
61.88742	0.4
65.03941	1.0
67.05503	4.2
68.99787	0.3
69.03429	6.4
69.07064	1.6
69.25586	2.1
71.04977	0.6
79.05495	3.6
81.03416	19.2
81.07059	3.8
83.04971	4.5
83.08608	0.6
85.02889	0.8
91.05479	7.2
93.07030	4.5
93.07539	0.6
95.04961	4.9
95.08615	3.0
97.06551	1.1
98.98464	100.0
100.98862	0.8
103.05459	1.0
104.68132	0.3
105.04535	0.6
105.07022	6.9
105.07718	0.4
107.04943	1.3
107.08588	3.6
108.02097	7.5
109.02863	1.1
109.06519	2.4
109.10168	1.0
111.04441	4.9
111.08072	0.9
115.05463	1.1
116.06207	0.8
116.99477	2.9
117.07027	5.4
119.04966	1.1
119.08588	5.0
120.00282	0.4
121.02907	0.7
121.06492	2.8
121.10168	1.8
123.04400	0.5
123.08083	1.2
123.11697	0.4
128.06194	2.0
129.07002	4.5
130.07764	1.4
131.04942	1.5
131.08572	6.6
132.05713	6.2
133.06500	10.7
133.07512	0.6
133.10106	1.8
133.79594	0.4
135.04422	4.1
135.08066	2.1
135.11661	0.6
136.01546	4.8
137.05966	0.9
140.01161	0.5
141.06972	2.5
142.07806	2.5
143.08574	5.1
144.09315	1.0
145.06499	2.8
145.10117	5.8
147.04442	0.6
147.08017	2.2
147.11688	0.8
149.09682	1.9
152.01041	0.5
152.06183	0.7
153.06949	1.8
154.02603	5.4
154.07733	0.9
155.08525	3.7
156.09351	1.6
157.06516	0.7
157.10115	4.7
158.07329	0.4
158.10942	0.6
159.08044	2.7
159.11684	2.6
161.06009	0.4
161.09607	2.2
161.13254	1.0
163.07474	0.7
163.11169	0.7
165.05727	0.6
165.06952	2.5
166.07756	1.1
167.08568	2.4
168.09341	1.6
169.06473	2.2
169.10118	3.1
170.02089	0.5
170.10860	0.7
171.08066	1.2
171.11693	3.3
172.08759	0.5
173.09587	2.3
173.13261	6.3
174.13686	0.6
174.99229	6.4
175.07536	0.6
175.11197	1.6
176.98900	3.7
179.08545	2.0
180.09383	1.0
181.06549	0.8
181.10127	3.1
182.10849	1.1
183.08047	1.9
183.11673	2.7
184.08803	1.9
185.09608	1.6
185.13293	1.4
187.11192	1.5
189.09091	1.1
189.12717	0.9
190.07903	0.4
191.07051	0.5
191.08858	0.6
191.10696	2.9
191.14374	0.5
192.09344	1.1
193.10110	2.7
194.10953	0.6
195.08073	1.1
195.11668	2.2
196.12131	0.4
197.05989	1.3
197.09630	1.7
197.13290	1.7
199.11162	2.0
201.09122	0.9
201.12747	3.3
201.14465	0.5
203.10646	0.5
205.08514	0.7
205.10181	1.1
206.10866	0.9
207.11768	1.1
208.08942	0.5
209.09706	1.2
209.13327	0.9
210.10391	0.5
211.07434	0.5
211.11185	1.8
211.14882	0.6
212.08374	0.7
213.09200	0.5
213.12779	1.1
214.62032	0.4
215.10582	0.6
217.10220	0.7
217.12282	0.9
218.10962	0.4
219.08173	0.5
219.11777	0.7
219.13820	3.2
221.13246	1.6
223.11308	0.7
223.14821	0.5
225.12764	1.0
227.10727	0.6
227.14468	0.4
229.12254	1.5
231.13765	0.5
232.12440	0.8
235.11403	0.6
235.14909	0.7
237.09091	0.4
237.12817	0.5
237.16414	1.1
239.14333	0.6
240.07777	3.6
241.12253	1.5
241.15758	0.5
243.13745	0.8
247.13037	0.8
247.15189	0.5
249.12614	0.5
250.99884	0.5
251.14456	0.7
252.99725	0.9
255.13890	0.7
255.17728	0.4
256.94131	0.5
257.15576	0.6
265.15906	1.7
267.13812	0.7
268.07288	34.1
269.07651	2.3
269.15427	0.7
271.05942	0.9
275.14319	0.8
281.15430	0.6
283.16934	1.5
284.06653	0.5
285.07739	0.9
286.04700	0.5
293.15381	1.3
296.06784	32.1
297.07184	1.4
299.05399	0.6
299.16235	0.4
301.17798	0.4
311.16397	5.5
313.07089	1.7
314.07813	11.7
315.08276	0.6
319.70590	0.4
329.10178	61.5
329.17319	16.9
330.10526	3.6
330.17831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
54.09988	0.2
60.71557	0.2
67.01868	0.2
68.99799	0.3
69.03411	0.6
69.46939	0.5
69.47332	0.4
72.08121	0.2
79.05486	0.2
91.05475	1.2
95.05038	0.2
98.98469	2.2
100.07610	0.4
107.01331	0.4
107.08561	0.3
111.20710	0.2
118.04156	0.9
119.04949	1.4
121.02862	3.9
123.00741	0.2
124.11201	0.2
125.02358	1.5
125.09620	0.4
131.04918	0.7
135.00743	0.5
137.02328	0.3
145.02834	0.3
150.03061	0.4
151.00275	0.2
153.01822	17.1
169.01344	0.3
171.02876	1.5
178.99739	0.2
181.01312	9.1
182.01649	0.3
197.05957	0.5
199.02371	11.1
200.02809	0.3
211.05939	1.1
215.07034	0.3
225.05505	0.8
229.04938	0.7
241.04898	0.7
243.06487	1.7
253.04916	0.6
268.07269	0.6
269.04462	0.6
270.05252	1.7
271.05994	15.9
272.06412	1.0
276.94232	0.2
284.03183	0.3
285.07535	3.0
296.06818	1.3
297.04117	0.4
298.04709	0.6
299.05487	100.0
300.05829	6.3
313.07010	2.4
314.07822	11.9
315.08063	0.7
329.10168	96.8
330.10519	7.0
330.14444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05480	0.3
67.05499	0.5
68.99791	0.3
70.06606	0.3
72.08164	1.6
73.08459	0.3
79.05476	0.5
87.04469	1.5
88.07613	0.4
91.05474	0.4
95.04989	0.4
98.98466	27.1
100.07603	1.7
102.78603	0.3
108.02097	10.8
116.99493	0.3
124.11220	0.5
125.09631	0.9
127.54361	0.3
132.05714	6.7
133.06493	10.0
135.04420	4.9
136.01552	6.2
146.40796	0.3
152.01051	0.8
153.01839	1.2
154.02594	5.1
169.06468	2.5
170.02106	0.5
174.99205	2.0
176.98883	0.7
181.01259	0.5
181.06480	1.0
183.07933	0.3
184.08833	0.8
197.06012	1.4
199.02432	0.5
211.07556	0.8
212.08380	0.5
212.16470	0.5
225.05502	0.8
228.78316	0.3
239.06964	0.6
240.07822	4.1
268.07297	44.3
269.07590	2.7
270.05167	0.7
270.27878	0.3
271.06100	2.0
274.43066	0.3
284.06747	1.1
285.07541	2.3
286.08252	0.6
296.06784	34.8
297.07205	2.3
299.05469	6.5
313.07019	2.4
314.07816	10.7
315.08234	0.6
328.26129	0.7
329.10165	100.0
329.26379	0.8
330.10559	6.4
330.30026	1.2
330.33551	0.4
346.65179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08096	0.6
53.03942	3.4
54.76743	0.7
55.01868	3.2
55.05297	0.7
55.05510	7.8
57.03419	1.7
57.07064	1.4
65.03928	1.8
67.05499	11.3
69.03425	20.3
69.07061	5.1
69.22119	1.0
69.22523	2.6
71.01342	0.9
71.04967	2.2
76.58471	0.6
77.03928	1.1
79.05486	13.0
80.05872	0.7
81.03407	61.0
81.07045	12.3
82.03763	0.7
83.04974	15.1
83.08606	0.8
84.02166	0.6
85.02892	3.3
85.06525	0.8
88.36564	0.6
88.54654	0.6
91.05473	22.7
93.07031	13.0
95.04953	12.9
95.08608	10.4
97.02905	1.9
97.06535	3.4
98.98457	24.6
99.04438	1.4
103.05450	2.5
105.04485	1.5
105.07018	24.3
107.04351	0.7
107.04932	4.0
107.08583	10.5
108.02080	9.9
109.02859	2.8
109.06508	7.8
109.10136	1.9
111.04436	16.1
111.08077	0.9
113.05965	1.6
115.05444	4.7
116.06218	1.4
117.07001	15.8
119.04951	3.5
119.05840	0.5
119.08569	17.6
121.06483	6.7
121.10134	3.8
122.07027	0.8
123.04393	1.4
123.08057	2.6
123.11701	1.6
128.06204	7.4
129.06996	12.2
130.07826	3.2
131.04921	4.4
131.08553	27.0
132.05698	7.1
133.05536	1.1
133.06482	16.0
133.10100	7.7
135.04411	7.1
135.08047	5.7
135.11684	1.4
136.01535	7.0
137.05920	1.5
137.09587	0.7
141.06960	9.9
142.07776	8.3
143.08551	16.7
144.05647	0.7
144.09274	2.8
145.06470	5.4
145.07503	0.9
145.10112	23.6
147.08063	6.5
147.11633	3.1
149.05978	0.8
149.09602	4.9
151.07542	0.7
152.01042	1.0
152.06265	0.7
153.06961	5.2
154.02588	5.3
154.07733	2.0
155.08536	13.8
156.09293	6.5
157.06461	3.0
157.10112	16.9
158.07240	1.3
158.10867	2.5
159.08044	7.4
159.11659	10.7
161.05956	1.4
161.09583	4.5
161.13206	1.6
163.07512	0.9
163.11192	2.3
165.06985	5.4
165.09128	1.1
166.07706	3.7
167.08566	8.8
168.05702	0.8
168.09329	5.2
169.06462	4.0
169.10098	11.0
170.07184	0.6
170.10881	1.8
171.07986	4.1
171.11662	9.9
172.08771	0.7
173.09601	8.2
173.13249	19.2
174.99297	1.9
175.07571	0.8
175.11154	3.7
175.14729	1.1
176.98906	1.3
177.09192	1.3
178.07790	2.1
179.08549	5.8
180.09274	4.5
181.06491	1.9
181.10081	10.4
182.07239	1.0
182.10898	2.6
183.08061	4.3
183.11656	11.9
184.08784	1.7
184.12285	0.7
185.09619	4.9
185.13249	4.9
186.10405	0.9
187.07565	1.6
187.11142	5.2
189.09029	1.4
189.12755	2.9
190.07779	1.3
191.08565	2.6
191.10678	6.7
191.14272	1.1
192.09290	2.7
193.10092	7.0
194.10834	3.5
195.08043	2.7
195.11676	8.8
196.12259	1.0
197.05991	2.3
197.09584	5.0
197.13226	6.3
198.10345	0.8
199.07535	0.9
199.11166	7.8
199.14894	1.5
200.11909	1.0
201.09100	1.9
201.12735	8.2
202.07813	1.0
202.13626	0.7
203.08527	1.5
203.10495	1.2
203.14275	1.6
205.10172	3.3
205.12004	0.7
206.10925	3.6
207.07953	1.4
207.11705	5.3
208.08771	0.8
208.12320	1.1
209.09665	2.9
209.13205	5.1
210.10329	1.4
211.07516	1.3
211.11171	5.1
211.14822	2.0
211.76337	0.7
212.08282	1.0
213.09148	1.0
213.12743	3.8
215.10690	1.8
215.14326	2.2
217.10100	2.2
217.12259	4.5
218.10902	2.3
219.08064	1.1
219.11679	1.6
219.13818	7.6
220.12404	1.0
221.09590	2.4
221.13243	3.4
222.10551	0.7
222.13701	0.7
223.11156	3.5
223.14812	2.8
224.11922	1.0
225.05342	1.1
225.09099	0.8
225.12766	3.9
227.10716	1.6
227.14310	1.2
229.12189	3.8
231.11638	1.1
231.13832	1.1
232.12430	2.1
235.11273	1.2
235.14850	2.0
237.12733	2.9
237.16351	2.6
239.14209	3.3
240.07764	5.1
241.12146	5.7
241.15892	1.2
243.13805	2.5
245.09602	0.7
245.15366	2.0
247.13228	2.9
247.15225	1.4
249.12761	1.6
250.13579	1.3
251.14230	1.7
253.15987	1.0
255.13907	3.1
255.17322	1.5
257.15530	0.7
265.15768	6.5
267.13895	3.0
268.07272	50.2
269.07654	2.1
269.15198	1.2
271.05975	1.7
275.14362	1.3
281.15378	1.5
283.16882	7.5
284.06778	1.2
285.07520	1.9
285.14856	1.4
293.15390	4.6
296.06757	42.3
297.07095	3.4
299.05359	1.1
299.16434	1.5
301.17896	1.6
311.16391	11.1
313.07104	2.5
314.07794	13.1
328.32034	2.2
329.10165	100.0
329.17371	46.5
329.32639	1.1
330.10526	6.9
330.17804	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	329.1016
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
50.01596	0.2
52.03162	0.2
55.01867	0.3
67.05485	0.2
68.99803	0.3
69.03437	0.3
71.42970	0.2
79.05476	0.3
80.02641	0.3
81.03410	0.2
81.07052	0.2
91.05470	0.3
95.04961	0.4
95.08582	0.3
97.02885	0.5
97.06530	0.2
98.03662	0.2
98.98458	28.3
100.98882	0.2
105.07023	0.4
107.04937	0.7
108.02085	11.2
110.94216	0.1
111.04435	0.2
116.99496	0.6
119.04874	0.3
121.02858	0.7
121.06477	0.3
123.07977	0.2
124.07586	0.2
129.07031	0.3
132.04683	0.3
132.05696	7.5
133.06483	10.7
134.00085	0.2
134.06831	0.3
135.04404	5.8
135.05331	0.2
135.07979	0.3
136.01543	6.0
137.01851	0.2
139.00288	0.3
139.03871	0.2
141.06975	0.6
143.08531	0.3
145.10066	0.2
147.04376	0.8
149.06017	0.2
151.03845	0.2
152.01050	0.4
153.01767	0.3
153.06996	0.7
154.02592	6.1
155.08517	0.2
157.10071	0.3
163.07527	0.5
165.07043	0.2
167.07068	0.2
167.08496	0.2
169.06474	2.1
169.10147	0.3
170.02119	0.5
170.10843	0.2
171.11679	0.3
174.99199	2.2
176.98878	1.0
177.05449	0.2
179.08568	0.2
181.06392	1.1
181.10187	0.2
181.90462	0.2
182.07248	0.2
183.08020	0.5
184.08829	1.1
191.10519	0.2
193.10011	0.2
194.07251	0.1
195.11795	0.2
197.04472	0.2
197.05952	1.1
197.13252	0.2
198.06511	0.2
207.04420	0.2
207.11661	0.2
209.05998	0.4
209.07921	0.2
211.07500	1.1
212.08286	0.7
225.05429	1.0
226.06116	0.1
227.09071	1.3
239.07025	0.3
240.07794	4.6
241.08144	0.2
242.05658	0.2
243.06531	0.2
246.28528	0.2
250.99899	0.2
252.99571	0.2
253.04991	0.6
254.20146	0.1
266.05676	0.3
267.06500	0.5
268.07272	43.4
269.07648	2.7
270.05176	0.5
271.05927	1.6
283.06137	0.2
283.17029	0.2
284.06741	1.0
285.07544	2.1
286.05032	0.2
286.08261	0.6
295.05936	0.4
296.06760	37.0
297.07129	2.3
299.05502	1.8
306.14545	0.2
311.09311	0.2
311.16245	0.4
313.07022	2.7
314.07788	12.0
315.08371	0.8
329.10141	100.0
330.10474	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	329.102
Annotation	Alnustin
Peak:m/z	Relative Intensity
51.02373	0.5
55.01867	0.8
65.03925	0.6
67.05476	0.6
68.99802	1.1
69.03416	1.4
69.50267	1.7
72.08168	0.5
75.05240	0.4
79.01842	0.6
81.03424	1.0
83.01344	0.5
83.16145	0.4
91.05479	1.6
93.03404	0.5
95.01321	3.6
95.04982	0.7
95.08601	0.5
96.34946	0.4
97.02888	1.1
98.98463	23.3
100.07610	0.4
103.05460	25.0
107.01314	9.0
108.98706	0.5
109.02865	0.8
111.04452	1.1
118.04179	0.6
119.01325	0.8
119.04935	1.5
121.02869	5.2
123.00786	0.8
123.04452	0.4
125.02341	1.8
125.09624	0.9
127.03940	0.7
131.04921	73.7
132.05240	2.5
137.02324	3.4
139.03896	1.2
147.00784	2.0
149.02310	1.1
151.00174	1.0
151.03822	0.8
153.01817	15.3
155.03423	2.5
155.04494	0.3
157.42166	0.4
165.01840	7.3
165.07008	0.5
167.08531	0.7
171.02901	1.3
173.05957	4.4
174.99213	1.3
176.98909	0.6
178.07701	0.5
179.03398	3.7
179.08467	0.5
181.01308	7.8
181.05008	0.5
181.06483	0.7
183.02888	3.7
193.01332	4.6
195.08078	1.5
197.04402	1.3
197.06029	0.6
199.02357	11.1
201.03787	0.4
205.06421	0.5
207.02859	6.6
207.04776	0.5
207.08171	0.5
209.05959	0.7
211.06055	1.1
223.07516	4.4
225.03871	3.3
233.06027	0.4
243.06474	1.2
251.07043	6.2
253.04855	0.6
268.07321	0.6
269.04709	0.7
269.07986	1.1
270.05197	1.6
271.05984	13.6
272.06339	0.5
279.06534	1.0
283.09552	0.7
285.07437	2.0
296.06857	1.8
297.07568	0.6
298.04532	0.6
299.05484	87.5
300.05829	6.1
311.09116	3.0
313.06964	1.8
314.07822	10.2
315.08157	1.0
329.10159	100.0
330.10489	6.2
332.62747	0.5
333.66006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01870	0.2
57.03421	0.2
65.10849	0.1
65.87051	0.1
67.01871	0.4
67.05500	0.3
68.99811	0.2
69.03417	0.8
69.67455	0.5
69.67790	0.2
72.08137	0.3
79.05472	0.2
83.04950	0.3
91.04936	0.2
91.05470	1.2
92.89616	0.1
93.31490	0.1
98.98456	3.6
100.07621	0.5
103.05423	0.1
107.01280	0.3
107.08564	0.2
109.02814	0.2
109.99974	0.1
118.04131	0.6
119.04945	1.4
120.68071	0.1
121.02859	3.6
123.00766	0.3
124.11211	0.3
125.02336	1.3
125.09615	0.3
131.04930	0.5
135.00745	0.3
137.02342	0.3
145.02847	0.3
149.37126	0.1
150.03081	0.3
153.01810	16.8
154.02158	0.4
168.04152	0.2
169.01344	0.2
171.02872	1.1
174.99229	0.4
178.99767	0.2
181.01295	9.0
182.01656	0.3
196.03629	0.3
197.00806	0.2
197.06046	0.3
199.02357	11.4
200.02676	0.4
211.03989	0.2
211.05995	1.0
212.16472	0.4
213.19513	0.2
215.07019	0.5
225.03606	0.2
225.05589	0.3
228.04181	0.2
229.04950	0.8
241.04987	0.6
243.06561	1.4
253.04906	0.9
267.06503	0.1
268.07211	0.4
269.04523	0.7
270.05197	1.6
271.05975	14.7
272.06366	0.8
281.04288	0.2
283.05951	0.2
284.03104	0.4
284.06418	0.2
285.07520	2.6
285.10400	0.2
296.06830	1.5
297.04187	0.2
297.07465	0.2
298.04620	0.7
298.07755	0.2
299.05472	89.8
300.05817	5.5
311.16409	0.5
313.06985	2.2
314.07794	10.2
315.08060	0.7
329.10147	100.0
330.10495	6.4
330.14474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.84900	0.3
59.63314	0.4
63.14685	0.4
67.01854	0.7
69.03415	1.1
69.46888	1.9
74.72365	0.4
91.05470	1.5
104.79861	0.4
107.01273	0.5
118.04156	0.8
119.04967	2.0
121.02851	4.0
123.00802	0.4
125.02345	2.1
150.03151	0.4
151.00209	0.6
153.01822	23.4
154.02165	1.0
171.02916	2.0
181.01305	10.0
197.06091	0.4
199.02364	12.8
199.81541	0.5
211.05974	1.1
215.06877	0.5
225.05313	0.5
228.04074	0.6
229.04955	0.4
241.04836	0.8
243.06497	1.4
251.25920	0.4
253.05132	0.7
268.07428	0.6
269.04639	0.5
270.05164	1.4
271.05988	17.7
271.08929	0.9
272.06400	0.8
284.03149	0.8
285.07608	2.8
296.06860	1.1
298.04697	1.3
299.05493	97.3
300.05884	4.3
313.07053	2.1
314.07816	10.2
315.07999	0.5
327.71307	0.5
329.10175	100.0
330.10547	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	329.102
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
67.01885	0.4
69.03427	1.3
74.97492	0.4
86.73149	0.4
91.05470	1.0
116.75092	0.4
118.04169	1.0
119.04920	1.8
121.02866	4.8
123.00816	0.6
125.02354	2.1
137.02367	0.5
145.02835	0.6
150.03088	0.6
153.01820	22.3
171.02853	1.3
181.01326	12.7
197.00748	0.5
197.06039	0.7
199.02383	13.5
211.05942	1.1
228.03938	0.5
229.04956	1.0
241.04964	0.8
243.06488	1.9
253.04938	1.0
268.07211	0.7
269.04370	0.7
270.05164	1.8
271.05984	17.2
272.06320	0.7
278.59061	0.6
279.50400	0.5
285.07480	2.9
296.06744	1.4
297.04077	0.6
297.07233	0.5
298.04706	0.7
299.05490	98.6
300.05881	5.1
313.06992	2.2
314.07800	11.0
315.08383	0.5
329.10175	100.0
330.10480	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
51.44250	0.3
67.05503	0.6
68.06796	0.3
69.03435	0.6
69.49046	1.1
69.49460	0.7
70.06616	0.6
72.08159	1.2
73.05917	0.3
74.43609	0.2
81.91786	0.3
83.04997	0.4
91.05489	1.0
96.28973	0.3
98.98466	22.4
99.61327	0.3
100.07600	1.4
100.59638	0.3
101.07956	0.3
107.01342	0.9
107.08625	0.6
118.04192	0.6
119.04951	1.4
121.02868	3.3
124.11260	0.9
125.02385	1.0
125.09629	1.8
126.09943	0.6
127.77613	0.3
130.74220	0.3
131.04944	0.7
150.03162	0.5
153.01822	15.5
169.01271	0.7
171.02878	1.4
174.99167	1.4
176.98955	0.8
181.01305	6.5
197.00768	0.5
197.06017	0.4
199.02377	10.9
199.04189	0.7
209.80522	0.3
211.05957	1.3
225.00278	0.6
225.05646	0.4
229.05029	0.5
241.04932	0.7
243.06543	1.0
253.05084	0.4
268.07361	0.7
269.04541	0.7
270.05197	1.3
271.06006	13.0
283.06015	0.4
284.02994	0.3
285.07599	2.3
296.06796	1.3
298.04477	0.6
299.05496	87.1
300.05823	4.4
313.07077	2.3
314.07819	9.3
315.08206	0.6
328.25970	0.5
329.10172	100.0
330.10526	6.2
340.65366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1495
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
62.10449	0.2
65.03931	0.5
70.06583	0.7
72.08146	0.5
78.43977	0.2
82.83487	0.2
86.09693	0.5
89.06055	0.3
91.05475	23.2
92.05797	0.3
95.04992	0.3
98.23484	0.6
98.98461	40.1
100.98866	0.3
103.05491	0.5
107.04961	2.3
109.06522	0.5
116.99515	0.9
118.06522	1.0
119.04939	16.0
120.05266	0.5
120.08100	9.3
121.06506	1.8
132.08080	0.4
133.40927	0.2
136.07568	100.0
137.02336	0.6
137.07916	2.0
146.06004	0.9
147.04433	0.4
166.08633	3.9
174.99217	3.2
176.98842	1.6
185.38295	0.2
192.06609	0.3
206.08076	1.2
229.15419	0.3
252.87694	0.2
252.99680	0.5
269.41388	0.2
272.98935	0.6
283.14401	0.7
284.12723	0.6
312.12076	0.6
329.05930	0.7
329.15091	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	329.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20362	0.4
56.71805	0.4
56.75018	0.3
69.67821	1.3
69.68200	0.7
76.92302	0.4
79.05450	0.5
81.07070	0.5
89.74041	0.4
91.05455	0.4
98.98463	36.3
116.99482	0.6
119.08605	0.6
129.01926	0.4
134.17131	0.4
145.10117	0.4
147.04311	0.4
152.81343	0.4
157.10100	0.6
159.11659	1.5
171.11694	0.9
174.99190	3.2
176.98949	0.9
197.13174	0.5
199.14731	0.6
263.94119	0.4
282.48743	0.5
293.15302	0.5
311.16342	1.1
329.15668	100.0
330.10120	0.4
330.15948	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	329.1745
Annotation	Pleraplysillin 2
Peak:m/z	Relative Intensity
53.03948	5.2
55.01647	0.6
55.01871	5.1
55.05506	11.8
57.03427	3.4
57.07054	1.8
57.72282	0.7
65.03933	1.5
67.05503	15.6
69.03427	28.5
69.07063	5.8
70.48616	1.3
71.01346	2.0
71.04989	2.8
71.69519	0.6
77.03927	2.1
79.05488	19.8
79.92088	0.8
81.03410	100.0
81.07051	17.7
82.03735	1.2
83.04971	24.5
85.02896	3.8
85.06538	1.1
89.77110	0.6
91.05473	34.3
92.05802	1.3
93.03373	1.0
93.07037	18.2
95.04956	18.4
95.08596	18.2
97.02892	2.3
97.06541	3.3
98.98460	30.3
99.04444	1.0
103.05476	4.2
105.04516	2.0
105.07024	37.3
106.07333	1.0
107.04958	6.6
107.08585	16.4
109.02866	6.3
109.06516	14.1
109.10159	4.3
111.04433	23.9
111.08076	2.9
113.05983	1.4
115.05428	7.2
116.06255	3.0
117.07005	22.2
117.07806	1.5
119.04924	3.3
119.08571	26.5
121.06489	10.3
121.10130	6.1
123.04428	1.5
123.08059	4.6
123.11720	1.3
125.05997	1.9
128.06219	9.9
129.07010	16.9
130.07797	5.7
131.04935	5.7
131.08559	39.8
132.08951	1.0
133.06491	8.8
133.10129	10.4
135.08032	9.3
135.11697	2.8
137.05984	2.1
137.09598	1.8
141.06973	10.1
142.07773	11.6
143.08557	27.3
144.05780	0.8
144.09290	3.3
145.06468	7.5
145.10110	34.1
146.07288	1.0
146.10522	0.9
147.04398	1.7
147.08023	10.9
147.11678	5.6
148.08430	0.7
149.05969	2.1
149.09618	5.3
149.13257	1.4
151.07466	1.5
152.06229	1.5
153.06987	7.1
154.07780	4.4
155.06020	1.3
155.08546	21.0
156.09372	9.6
157.06511	3.8
157.10114	25.0
158.07280	1.5
158.10930	4.0
159.08072	11.1
159.11668	14.2
161.05933	1.9
161.09618	10.5
161.13263	2.1
163.07491	2.0
163.11214	4.5
163.14708	1.2
165.06952	8.9
165.09117	1.6
166.07777	4.5
167.08530	12.7
168.09332	8.1
169.06511	3.5
169.07785	0.7
169.10117	15.6
170.07153	0.8
170.10815	2.6
171.08064	7.3
171.10167	1.0
171.11665	14.0
172.08835	1.6
173.05981	0.8
173.09616	10.9
173.13239	32.1
174.13623	1.6
174.99196	1.5
175.07520	1.9
175.11179	7.3
175.14847	1.1
176.11935	0.9
176.98921	1.1
177.09062	1.6
177.12781	1.4
178.07732	3.7
179.08540	11.2
180.09271	5.0
181.06473	2.9
181.10103	17.7
182.07234	1.4
182.10884	5.3
183.08051	6.6
183.11682	17.7
184.08836	2.1
184.12448	1.5
185.09589	8.4
185.13193	5.8
186.10208	1.3
187.07520	2.0
187.11145	7.2
189.09109	2.5
189.12688	3.5
190.07887	0.8
191.08566	4.3
191.10667	10.8
191.14287	2.6
192.09341	4.7
193.10152	10.3
194.10847	3.3
195.07999	4.6
195.11678	14.8
196.08813	1.3
196.12408	2.4
197.09575	7.0
197.13228	8.2
198.10371	1.9
198.14017	1.0
198.30394	0.7
199.07462	1.0
199.11172	11.5
199.14864	1.1
200.11835	1.5
201.09087	2.1
201.12715	12.6
202.07776	1.6
202.13194	1.7
203.08571	2.2
203.10649	1.7
203.14302	3.1
204.09293	1.5
205.10120	4.6
205.11781	0.8
206.10916	6.8
207.08067	1.5
207.11673	8.2
208.12372	2.3
209.09647	5.7
209.13203	8.0
210.10352	2.1
211.11191	6.1
211.14816	2.7
212.11891	1.5
213.09059	2.1
213.12732	5.5
215.10645	1.7
215.14310	3.3
217.10098	3.7
217.12259	5.5
218.10875	2.7
219.08060	1.5
219.11687	1.9
219.13745	16.6
220.08989	0.9
220.12373	1.2
220.14281	1.1
221.09634	2.2
221.13269	5.1
222.10303	1.2
222.13860	1.0
223.11211	5.8
223.14799	3.0
225.09077	0.8
225.12704	6.3
227.10666	2.4
227.14320	2.0
229.12199	5.4
231.11804	1.3
231.13835	1.3
232.12453	3.6
233.09628	1.4
233.13275	1.1
233.15349	1.0
235.11293	1.7
235.14813	2.5
236.11996	1.3
237.12663	3.7
237.16426	4.1
239.14323	4.4
241.12233	7.5
241.15904	1.8
243.13748	4.9
244.14784	1.3
245.15343	3.7
247.13228	3.6
247.15057	2.6
249.12697	2.4
250.13461	1.3
251.10684	1.0
251.14238	3.6
253.12138	1.0
253.15813	1.3
255.13762	3.6
255.17496	1.8
263.14267	1.5
265.15851	8.2
266.16113	1.0
267.13748	3.9
269.15295	1.9
271.13446	0.9
271.16766	0.9
275.14273	1.6
281.15353	3.2
283.16910	9.3
285.14832	2.5
293.15372	6.8
299.16354	3.0
301.18008	2.3
311.16357	21.3
312.16818	2.4
329.17429	77.8
330.17648	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	329.1744
Annotation	Crocetin
Peak:m/z	Relative Intensity
53.03933	5.9
55.05494	5.7
55.33685	1.5
57.03417	2.1
57.07058	2.2
65.03934	1.9
67.05499	7.9
69.03419	5.5
69.07047	5.5
69.85429	4.9
79.05489	13.4
79.43364	1.3
80.53790	1.2
81.03406	5.6
81.07043	12.2
83.04963	4.0
83.08612	1.4
83.25774	1.6
85.02895	2.1
85.71729	1.3
91.05474	19.8
93.03388	1.6
93.07043	12.1
95.04962	5.6
95.08600	14.1
97.06512	1.5
98.98462	32.7
99.04495	3.3
103.05467	1.9
105.04428	1.5
105.07028	27.9
107.04950	4.3
107.08580	15.9
109.06524	11.6
109.10149	3.2
113.02362	2.3
115.05433	3.3
116.06216	1.8
117.07016	8.7
119.04926	3.2
119.08576	31.5
119.84173	1.5
121.06483	4.8
121.10143	13.5
123.08038	5.6
125.06001	3.1
127.03909	7.6
128.06227	4.0
129.06979	7.0
130.07803	2.5
131.08554	13.2
133.06483	7.4
133.10120	30.7
133.11137	1.5
134.07285	3.4
135.08055	13.9
135.11655	2.4
135.18954	1.1
141.06975	3.6
142.07784	10.0
143.08548	14.8
144.09341	2.9
145.06509	2.5
145.10109	28.0
147.08055	7.9
147.11678	11.6
149.09573	3.7
149.13300	1.5
153.05501	3.0
153.06912	3.2
155.08519	7.8
156.09354	9.6
157.10115	21.8
158.07217	1.9
158.10921	2.8
159.08063	9.0
159.11688	22.6
160.08723	2.2
160.12204	1.5
161.05960	1.6
161.09628	12.3
161.13260	2.9
163.07593	1.5
163.11151	3.0
165.07036	4.0
167.08502	6.8
168.09338	4.4
169.10106	14.0
170.10898	8.4
171.08040	3.7
171.11673	17.7
172.08862	2.5
172.12491	3.4
173.09615	15.0
173.13242	22.2
174.10280	3.4
174.13925	3.8
174.99275	2.5
175.11200	7.5
175.14821	4.1
176.98912	1.6
177.09081	1.8
179.08522	3.9
180.09285	3.9
181.10133	8.9
182.10893	5.1
183.08078	1.9
183.11679	18.8
184.12407	4.0
185.09621	6.7
185.13202	13.5
186.10371	3.9
187.11153	12.7
187.14832	13.2
188.11945	5.7
188.15515	2.2
189.09079	1.6
189.12711	3.2
193.10152	5.4
194.10818	2.9
195.11699	10.8
196.12419	2.6
197.09593	3.1
197.13214	14.3
198.13986	8.0
199.07477	1.8
199.11183	7.1
199.14769	9.4
201.09077	6.8
201.12708	15.1
202.13483	4.2
203.14282	11.9
205.10207	1.5
206.10873	2.9
207.11729	10.3
208.12434	4.9
209.09613	3.9
209.13239	7.6
209.14943	1.8
211.11217	4.5
211.14865	5.0
213.09146	2.6
213.12697	4.1
213.16302	2.2
215.14290	5.6
216.15038	14.0
217.08527	2.4
217.15869	3.0
219.11658	2.9
221.09633	1.6
221.13327	3.8
222.13977	2.7
223.11182	5.1
223.14734	5.9
225.12709	4.8
227.10757	2.4
227.14261	4.2
227.17908	3.3
231.10236	1.9
232.12477	1.8
233.11493	2.1
237.12703	3.1
237.16409	7.3
239.14299	3.4
239.17979	6.1
240.15094	1.8
241.12303	2.0
241.15802	5.3
247.09558	6.4
247.14943	3.9
249.16212	1.7
251.10493	2.2
253.12231	1.8
255.13805	4.3
255.17422	9.9
265.15906	13.6
267.17319	3.1
269.15390	1.8
271.13126	2.3
273.11575	1.5
283.13812	2.4
283.16888	20.4
284.17249	2.0
287.16458	14.3
293.15421	5.9
301.14508	1.4
301.17905	4.8
311.16370	20.6
329.17438	100.0
330.13837	3.0
330.17758	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	329.1745
Annotation	Sobetirome
Peak:m/z	Relative Intensity
51.09401	1.3
53.03943	6.8
54.94734	1.6
55.01888	2.0
55.05494	5.8
57.03427	1.5
57.07057	1.8
57.53747	1.3
59.04996	2.8
63.99209	1.5
65.03935	1.9
66.30035	1.3
66.38286	1.3
67.05488	9.9
69.03416	3.9
69.07065	3.9
70.41328	2.9
75.55063	1.2
79.05484	11.2
81.03424	5.1
81.07052	11.0
83.01322	1.5
83.04968	4.8
91.05469	17.5
93.03387	2.2
93.07032	15.2
95.04981	7.2
95.08597	15.9
97.02908	1.5
97.06554	2.0
98.98463	45.4
99.04458	2.6
105.07029	24.6
106.04848	1.4
107.04947	5.2
107.08590	15.7
109.02847	2.0
109.06511	12.6
109.10165	3.3
111.08053	2.8
113.02396	3.1
115.05458	2.6
117.07024	8.4
119.04937	3.9
119.08576	37.5
121.06508	5.6
121.10153	13.2
123.08031	7.9
125.05991	1.5
127.03913	7.1
128.06223	5.1
129.07007	8.8
130.07784	2.6
131.08546	20.8
133.06462	6.8
133.10124	33.9
134.07262	4.9
134.10446	1.6
135.08031	11.3
135.11670	4.0
137.09644	3.2
141.06969	3.9
142.07784	10.2
143.08568	15.9
144.09335	5.5
145.06483	2.5
145.10130	27.2
147.08011	8.3
147.11670	15.2
149.09607	6.3
153.05457	4.6
153.06932	2.3
154.07707	1.9
155.08516	11.3
156.09306	7.2
157.06560	1.5
157.10107	25.6
158.07237	2.4
158.10855	3.0
159.08037	7.9
159.11697	21.1
160.08919	2.4
160.12221	1.9
161.09622	9.3
161.13326	3.6
163.07578	2.4
163.11169	3.4
165.07028	3.9
166.07765	2.8
167.08575	3.6
168.09325	5.3
169.10121	10.0
170.10895	8.4
171.08063	3.0
171.11676	19.8
172.08841	2.6
172.12387	3.6
173.09645	16.7
173.13246	21.3
174.10300	2.4
174.14053	6.9
174.99269	2.6
175.11150	10.4
175.14752	3.5
178.07814	1.9
179.07076	1.9
179.08560	5.3
180.09282	3.9
181.08730	1.5
181.10109	8.6
182.10905	4.8
183.11684	23.1
184.12354	4.2
185.09616	6.6
185.13237	12.6
186.10391	3.9
187.11217	12.8
187.12816	1.6
187.13333	1.8
187.14761	12.8
188.11903	4.2
188.15608	4.4
189.12741	4.4
192.09357	3.0
193.10187	7.8
194.10872	4.8
195.11722	9.3
196.08838	1.8
196.12379	2.7
197.09581	2.9
197.13237	15.7
198.10388	1.6
198.14001	8.2
199.07469	1.5
199.11139	10.3
199.14740	7.0
201.09068	6.6
201.12735	15.8
202.13515	2.9
203.14320	9.3
205.10225	1.5
207.11642	9.1
208.12460	5.7
209.09590	3.5
209.13223	8.7
210.13899	1.9
211.11171	5.3
211.14825	4.5
213.09142	3.1
213.12787	5.0
213.16408	2.4
214.13486	2.1
215.14337	8.1
216.15103	16.3
217.08490	1.6
217.15840	5.3
219.11746	1.9
220.12511	1.7
221.13254	4.1
222.14044	4.6
223.11172	5.7
223.14819	5.8
223.42851	1.4
225.12772	4.3
225.16292	2.2
226.13622	1.9
227.10709	3.0
227.14304	4.7
227.17952	3.7
229.15724	1.7
231.10210	1.8
232.12395	1.9
235.14853	1.9
236.11890	1.9
237.12726	2.9
237.16396	11.1
239.14410	2.9
239.17914	5.0
241.12387	2.0
241.15837	4.7
247.09715	8.6
247.14755	3.8
249.16539	3.6
250.13438	2.2
251.14552	2.3
253.15823	5.2
255.13795	2.5
255.17378	12.0
256.17603	1.9
257.11765	1.8
265.15906	12.3
267.17435	2.2
269.11755	2.6
269.15430	2.1
271.13248	1.9
283.16882	21.4
284.17389	1.8
285.14987	1.8
285.18341	2.7
287.16376	14.2
293.15326	5.2
299.16455	7.6
301.14438	2.2
301.17908	6.3
311.16388	21.6
312.16849	2.1
329.17441	100.0
330.17661	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	329.1746
Annotation	Pleraplysillin 2
Peak:m/z	Relative Intensity
52.89881	1.3
53.03954	7.0
55.01871	6.1
55.05260	1.3
55.05511	15.6
57.03419	2.8
65.03935	3.0
67.05501	17.5
69.03432	38.2
69.07057	7.2
71.04972	3.8
71.06017	1.5
75.80271	1.3
77.03911	2.0
79.05496	17.0
81.03415	100.0
81.07047	19.8
82.03761	1.5
83.04977	26.0
85.02898	3.3
85.06512	1.8
88.17181	1.2
91.04943	2.0
91.05481	32.9
93.07030	16.7
95.04970	26.1
95.08608	11.8
97.02873	1.2
97.06530	3.2
98.98462	27.3
99.04461	2.8
103.05453	3.9
105.03399	1.4
105.04502	1.4
105.07026	36.1
107.04957	5.9
107.08589	17.2
109.02859	6.8
109.06532	10.9
109.10146	4.2
111.04440	35.9
111.08025	1.7
113.06004	4.4
115.05445	4.2
117.07011	25.1
119.04919	4.6
119.08582	26.9
121.06486	9.3
121.10130	5.3
123.04377	1.9
123.08060	5.0
123.11716	1.7
124.98428	1.3
125.06015	2.6
128.06213	10.6
129.07007	20.9
130.07800	3.5
131.04918	6.7
131.08565	40.8
132.08876	1.6
133.06500	9.0
133.10130	9.6
135.04405	1.8
135.08051	7.5
135.11702	2.1
137.05940	3.2
141.06964	13.1
142.07774	14.4
143.08566	29.4
144.09286	4.1
145.06448	9.5
145.10124	35.6
147.08040	11.9
147.11667	5.9
149.05942	2.5
149.09645	6.1
151.07565	1.9
153.07008	7.8
154.07777	4.4
155.08546	20.7
156.09352	9.5
157.06497	4.8
157.10123	30.0
158.07329	1.8
158.10867	4.2
159.08041	11.1
159.11685	20.0
161.05965	1.9
161.09612	6.8
161.13200	2.6
163.07495	2.6
163.11154	5.7
165.06960	9.5
166.07741	5.5
167.08554	10.4
168.09302	8.7
169.06425	2.1
169.10121	14.4
170.10817	2.5
171.08057	7.4
171.11670	18.1
172.08832	2.7
173.09650	14.0
173.13245	37.5
174.13719	1.7
174.99173	2.2
175.07501	1.6
175.11208	7.7
175.14781	3.3
177.09081	1.7
177.12685	1.6
178.07736	4.3
179.08527	10.6
180.09300	5.2
181.06525	3.2
181.10083	15.0
182.07086	1.9
182.10878	4.0
183.08058	5.9
183.11679	20.2
184.12428	1.5
185.09596	8.5
185.13190	7.9
187.11195	6.4
189.09137	4.7
189.12778	6.6
191.08582	4.2
191.10663	12.1
191.12354	1.6
191.12640	1.7
191.14278	12.9
192.09296	4.4
193.10107	9.4
194.10832	2.1
195.08057	4.2
195.11691	13.8
196.08826	2.2
196.12303	2.2
197.06190	1.3
197.09639	6.6
197.13300	8.0
198.10428	2.2
199.07555	1.5
199.11179	11.2
199.14842	1.3
201.09068	1.9
201.12727	17.9
202.13145	1.5
203.08647	2.0
203.10614	2.9
203.14333	8.9
205.10121	4.7
206.10869	5.1
207.11711	8.3
208.12405	2.5
209.09605	5.9
209.13228	6.8
210.10281	1.9
211.11209	10.3
211.14781	3.1
213.09180	2.1
213.12769	4.3
215.10654	1.8
215.14275	3.6
217.10094	3.5
217.12231	6.8
218.10783	1.7
218.53268	1.5
219.11691	3.2
219.13794	16.7
220.12473	2.6
221.09618	1.5
221.13277	7.7
222.14014	1.9
223.07654	1.7
223.11157	4.6
223.14832	3.1
225.12724	6.7
227.10701	2.2
227.14268	2.0
229.12225	5.1
231.13835	2.5
232.12486	2.4
233.09576	1.4
233.13364	1.9
234.10547	1.8
235.11160	3.5
235.14857	1.7
237.12711	5.5
237.16342	4.2
239.14244	4.6
241.12195	6.2
243.13770	4.7
245.15346	2.0
247.13350	6.0
247.15334	1.9
249.12740	2.5
250.13449	1.4
251.14209	3.4
255.13829	3.1
255.17453	3.5
260.12003	1.7
263.14450	2.2
265.15857	11.8
267.13797	4.8
269.15308	3.8
271.13306	1.7
275.14240	3.6
281.15384	2.9
283.16989	11.0
285.14871	2.9
293.15341	9.0
299.16339	2.9
301.17947	3.8
311.16403	25.7
312.16754	1.9
329.17444	79.6
330.17685	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	329.1745
Annotation	Crocetin
Peak:m/z	Relative Intensity
51.02381	1.3
53.03936	5.4
55.01862	5.4
55.05509	12.8
57.03424	3.6
57.07071	1.7
64.12791	0.8
65.03933	3.4
67.05164	1.1
67.05500	16.6
68.58437	0.8
69.03424	30.3
69.03799	1.6
69.07059	5.7
69.91884	0.8
70.14045	1.7
70.14413	1.7
71.01326	1.6
71.04980	3.2
73.02908	1.2
77.03925	2.0
79.05484	22.9
81.03411	100.0
81.06562	1.1
81.07047	20.2
82.03725	1.3
83.04975	25.6
83.08636	1.3
85.02905	4.0
85.06519	1.3
87.04465	1.0
90.37830	0.8
91.05474	34.9
92.05792	1.5
93.07035	19.4
94.00020	0.7
95.04959	23.0
95.08595	17.7
97.02864	2.6
97.06515	4.1
98.97822	1.6
98.98460	27.1
99.04461	2.0
103.05454	4.3
105.04507	2.1
105.07022	35.7
106.07319	1.0
107.04951	6.1
107.07842	1.0
107.08579	19.2
108.02078	3.5
109.02864	4.4
109.06506	12.2
109.10155	2.3
111.04432	27.8
111.08059	1.9
113.06000	2.0
115.05438	6.3
116.06202	2.2
117.07013	23.4
119.04925	6.1
119.08571	27.2
121.06500	11.2
121.10120	6.8
123.04420	2.3
123.08038	6.0
123.11678	3.1
125.05987	1.5
128.06194	13.2
129.06998	21.0
130.07811	4.2
131.04936	6.1
131.08559	41.1
132.05681	2.5
132.08867	0.9
133.06487	12.3
133.10124	10.6
135.04388	3.6
135.08040	9.7
135.11664	3.3
136.01515	1.4
137.05946	2.7
137.09596	2.2
141.06961	13.3
142.07779	14.1
143.08557	29.4
144.09372	4.3
145.06456	10.4
145.10110	35.4
147.04385	2.2
147.08046	11.3
147.11682	5.6
149.05937	1.9
149.09596	6.2
151.07550	1.9
152.06213	2.0
153.06972	8.7
154.02551	1.1
154.07756	5.0
155.06033	1.1
155.08546	20.4
156.09346	11.1
157.06462	3.6
157.10110	28.1
158.07245	2.6
158.10822	3.5
159.08043	12.2
159.11690	15.8
160.08633	1.1
161.05980	1.9
161.09598	9.3
161.13199	1.8
163.07544	2.4
163.11134	7.0
163.14763	1.0
165.05608	1.5
165.06969	9.5
165.09099	2.8
166.07802	4.7
167.08548	13.2
168.09364	7.4
169.06458	4.7
169.10115	18.5
170.07178	1.3
170.10744	2.7
171.08009	7.1
171.11656	14.2
172.08710	1.8
173.09636	12.3
173.13245	39.9
174.13623	1.8
174.99171	2.3
175.07527	1.7
175.11191	8.3
175.14774	2.6
176.98900	1.0
177.09134	1.2
178.07680	3.7
179.08548	11.7
180.09361	4.9
181.06474	3.3
181.10100	17.9
182.07256	1.8
182.10838	6.8
183.08067	7.2
183.11671	17.0
184.08751	2.3
185.09590	7.1
185.13214	7.2
186.10136	1.0
187.07533	1.4
187.11159	8.2
189.07426	0.8
189.09100	3.4
189.12720	4.7
190.07672	1.2
191.08546	4.3
191.10657	13.3
191.14279	1.7
192.07816	0.8
192.09329	4.8
193.10095	9.8
194.10913	4.2
195.08038	5.9
195.09920	1.5
195.11658	14.3
196.08821	2.4
196.12398	1.9
197.09605	7.4
197.11093	0.8
197.11414	0.9
197.13223	8.2
198.10393	2.3
199.07610	1.0
199.11156	13.2
199.14830	2.4
201.09053	3.1
201.12717	14.5
202.07799	1.6
202.13240	1.5
203.08553	2.5
203.10672	2.1
203.14285	2.9
204.09293	1.5
205.10138	5.9
206.10902	5.1
207.08133	1.2
207.11711	7.7
208.12422	2.5
209.09630	6.3
209.13240	8.0
210.10396	1.8
210.13831	1.1
211.11148	7.2
211.14751	3.6
212.11932	1.0
213.09113	1.7
213.12720	5.0
213.16563	0.9
215.10623	2.8
215.14398	4.0
216.09355	1.4
217.10094	4.1
217.12247	6.8
218.10747	1.0
218.12698	1.4
219.11649	2.7
219.13748	17.8
220.12323	1.5
220.14209	1.4
221.09541	2.3
221.13200	6.4
222.13814	1.0
223.11192	6.7
223.14719	4.4
224.11877	1.5
225.09079	1.0
225.12732	7.5
227.10695	2.1
227.14282	3.1
227.17957	1.1
229.12195	5.8
230.10857	1.0
231.11687	1.4
231.13747	1.9
232.12448	3.3
233.13271	1.7
234.10333	1.1
235.11162	3.2
235.14810	2.4
237.09084	1.0
237.12827	5.0
237.16364	4.9
239.10541	1.4
239.14343	5.5
240.07782	2.3
241.12207	9.1
241.15840	1.9
243.13869	7.0
244.14362	1.4
245.15453	3.9
247.13232	4.9
247.15210	1.7
248.14761	0.9
249.12727	3.2
250.13458	1.0
251.14268	3.4
253.12259	1.3
253.15854	2.6
255.13791	3.5
255.17462	3.3
257.15384	1.4
260.11981	1.3
263.14172	2.2
265.12778	1.4
265.15866	10.2
267.13776	3.3
268.07278	16.2
269.15353	3.2
271.13351	0.9
275.14212	3.4
281.15347	3.3
283.13849	1.5
283.16876	14.6
285.14828	3.0
287.12878	1.0
293.15308	6.9
296.06781	11.5
299.16376	2.5
301.17911	2.7
311.16345	24.2
312.16800	2.5
314.07919	4.4
329.10275	32.0
329.17422	98.4
329.32364	1.7
330.10471	1.8
330.17789	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	329.1744
Annotation	Pleraplysillin 2
Peak:m/z	Relative Intensity
53.03944	6.3
55.01859	6.1
55.05505	12.0
57.03425	2.4
57.04061	1.0
64.76506	0.9
65.03935	3.4
67.05502	20.4
69.03421	30.6
69.07060	6.1
69.68884	4.0
71.01321	2.2
71.04972	2.4
72.53990	1.2
77.03928	1.4
77.70363	1.1
79.05486	21.5
81.03410	100.0
81.07049	19.2
82.03750	1.2
83.04971	25.2
85.02876	3.5
85.06531	1.0
85.72121	0.9
91.05469	33.8
93.07038	21.6
95.04955	19.6
95.08601	14.1
97.02884	1.8
97.06522	3.4
98.98447	9.6
99.04443	1.3
103.05454	3.8
105.03330	1.1
105.04489	1.5
105.07021	37.7
105.07734	2.0
107.04933	6.5
107.08581	19.1
108.02101	2.4
109.02878	4.6
109.06497	12.4
109.10130	4.1
111.04430	21.1
111.08092	2.2
113.05972	1.4
115.05412	7.0
116.06220	3.1
117.07007	26.9
119.04921	5.9
119.07734	1.9
119.08567	27.9
120.08926	1.0
121.06489	10.3
121.10141	6.4
123.04436	2.1
123.08047	4.1
123.11691	1.5
128.06218	13.9
129.06996	21.8
130.07761	3.5
131.04921	6.4
131.08559	41.7
132.05695	2.1
132.08871	1.4
133.06491	10.1
133.10112	11.7
135.04396	2.4
135.08041	8.8
135.11656	2.7
136.01524	2.2
137.05939	2.6
137.09543	1.3
141.06967	11.9
142.07759	13.8
143.08548	28.5
144.05692	1.6
144.09386	4.7
145.06448	10.4
145.10106	35.2
146.07230	1.7
147.04364	1.7
147.08022	10.1
147.11661	5.3
149.05882	1.3
149.09621	6.4
149.13184	1.4
151.07477	1.1
152.06158	1.8
153.06985	7.5
154.02557	1.4
154.07840	5.6
155.08522	20.2
156.09340	10.1
157.06490	3.9
157.10101	22.3
158.07310	2.5
158.10823	4.4
159.08020	11.2
159.11682	15.6
160.08833	1.4
161.05995	1.3
161.09628	9.1
161.13237	2.2
163.07487	2.0
163.11159	4.6
165.06972	11.6
165.09109	1.6
166.07768	6.3
167.08560	13.9
168.09317	8.5
169.06422	3.5
169.10112	15.1
170.07179	1.2
170.10831	3.2
171.08025	7.8
171.11659	13.7
172.08760	1.0
172.12276	0.9
173.05951	2.0
173.09602	12.6
173.11826	1.8
173.13243	27.2
174.10315	1.4
174.13478	1.4
175.11156	6.6
175.14851	2.5
177.09067	1.6
177.12663	1.5
178.07727	4.0
179.08530	11.1
180.09323	6.0
181.06552	1.8
181.10091	16.1
182.07275	1.7
182.10854	3.8
183.08023	6.1
183.11653	16.2
184.08792	2.3
184.12347	2.8
185.09605	7.3
185.13248	5.3
186.10432	1.7
187.07587	1.5
187.11163	6.4
187.14722	1.5
189.09023	3.0
189.12683	3.7
191.08580	4.4
191.10646	10.9
191.14323	1.4
192.09303	4.2
193.10101	9.3
194.10922	5.3
195.07985	4.7
195.11661	10.6
196.08835	2.6
196.12302	1.4
197.09583	7.1
197.13257	7.4
198.10217	1.6
199.07538	1.9
199.11157	10.3
199.14764	2.2
201.09067	2.2
201.12700	10.7
203.08527	2.9
203.10497	1.8
203.14262	2.0
204.09175	1.9
205.10078	5.5
205.11905	1.1
206.10838	5.2
207.08168	1.5
207.11647	6.6
208.12370	2.4
209.09583	6.0
209.13205	4.6
210.10365	2.2
211.11200	4.9
211.14786	2.3
212.11850	1.5
213.09090	1.3
213.12741	5.6
213.16188	1.1
215.10490	1.8
215.14366	2.6
216.09207	1.1
217.10071	4.8
217.12218	5.2
218.10797	2.0
219.11620	3.6
219.13782	12.8
221.09647	2.4
221.13182	4.4
222.13919	1.4
223.11200	4.6
223.14789	3.2
225.12715	5.4
227.10555	2.1
227.14270	2.3
229.12221	3.6
231.11749	1.1
231.13824	2.3
232.12383	2.8
233.09526	1.6
235.11162	2.2
235.14824	3.4
237.12698	3.4
237.16357	3.2
239.14275	3.2
240.07820	1.4
241.12202	5.0
243.13773	4.7
245.15337	3.1
247.12955	2.2
247.15120	2.2
249.12671	1.8
250.13582	1.3
251.14227	2.9
253.15820	1.9
255.13701	2.7
255.17467	2.0
263.14285	3.2
265.15875	6.5
267.13809	2.8
268.07333	9.1
275.14236	1.6
281.15204	2.7
283.16861	8.4
285.14728	2.1
293.15231	4.5
296.06702	9.3
299.16342	2.0
301.17978	2.9
304.27951	1.2
311.16354	15.2
314.07806	2.1
329.10217	19.9
329.17395	53.7
330.10809	1.3
330.17767	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	329.1746
Annotation	Lophodione
Peak:m/z	Relative Intensity
53.03924	0.6
55.05507	2.9
67.05491	2.2
69.03424	1.4
69.07056	2.4
69.22033	3.0
70.02955	0.7
79.05472	3.8
81.03433	0.7
81.07060	3.9
83.04974	1.1
83.08621	1.2
85.02927	1.1
86.09715	0.8
91.05480	4.5
93.07030	5.2
95.04983	1.6
95.08612	3.4
97.02843	0.7
97.06522	2.1
98.06024	0.5
98.22693	1.2
98.98465	100.0
99.04459	1.2
100.98874	0.6
103.05487	0.7
105.07030	4.8
107.04940	1.4
107.08585	4.8
109.06525	1.2
109.10182	0.9
111.08105	0.6
113.02346	0.8
116.99502	2.1
117.07022	1.8
119.08575	11.4
121.06511	1.8
121.10142	2.4
123.08074	1.7
125.02348	1.1
125.06028	1.2
125.09587	0.6
127.03915	1.1
128.06221	1.1
129.07019	1.8
131.08607	3.5
133.06432	2.1
133.07423	0.5
133.10123	3.6
135.04391	1.2
135.08031	3.9
137.05969	1.5
141.07034	1.0
142.07785	2.1
143.08548	4.1
144.09256	0.7
145.06459	0.6
145.10136	5.3
147.04404	1.0
147.08014	1.0
147.11694	0.9
149.05928	0.8
149.09634	1.5
151.03848	0.5
153.05487	1.4
153.06839	0.6
153.09108	0.6
155.08517	2.4
156.09320	2.8
157.10139	8.0
158.10841	0.9
159.08076	1.8
159.11688	7.0
160.12317	0.5
161.05977	0.7
161.09631	2.7
161.13329	1.0
161.56911	0.5
163.07600	1.2
163.11212	0.6
165.06917	0.9
166.07809	0.6
167.08554	1.3
168.09325	1.1
169.10135	5.0
170.10951	4.3
171.08026	1.0
171.11685	11.3
171.13057	0.9
172.12366	0.9
173.09634	1.4
173.13251	3.3
174.99222	8.2
175.07562	1.2
175.11198	1.4
175.14754	0.9
176.98924	4.6
177.05418	1.3
177.09148	0.8
177.12666	0.6
179.08600	1.0
180.09256	0.6
181.10109	3.4
182.10873	1.2
183.08070	0.6
183.11742	4.4
184.12445	4.1
185.09636	2.0
185.13266	6.5
186.14018	2.0
187.07544	0.8
187.11310	0.7
189.09117	1.1
189.12706	2.4
193.10112	2.5
194.10872	1.3
195.11694	4.9
196.12424	0.9
197.09656	0.6
197.13214	4.6
198.13828	0.7
199.11165	1.9
199.14833	13.4
200.15512	1.9
201.09126	1.9
201.12779	0.6
203.14317	2.4
204.15083	1.8
207.11705	2.9
208.12523	2.7
209.09665	1.4
209.13251	3.2
211.11241	1.1
211.14832	2.8
213.09056	1.6
213.12798	1.1
215.10713	1.3
215.14372	0.5
217.08621	1.9
217.15939	1.4
221.13315	1.8
222.14073	1.6
223.11174	1.5
223.14813	7.0
227.10626	3.0
231.10127	0.6
232.12326	1.0
235.11115	0.8
237.12720	0.8
237.16374	6.5
239.10593	0.5
239.14290	1.1
239.17973	1.4
240.15109	0.6
241.08611	1.0
241.12189	1.9
241.15869	2.0
243.10216	0.7
243.13803	0.7
247.14902	2.3
250.13625	0.9
251.10594	0.8
251.14320	1.0
252.99734	1.4
255.10179	1.2
255.13715	0.9
255.17482	3.5
259.09586	1.2
265.15848	5.3
267.10043	0.7
267.13727	1.4
268.10797	0.7
269.11819	1.0
269.15439	2.3
278.13058	0.9
283.13611	0.7
283.16873	15.1
284.17245	0.7
285.18372	0.6
287.16360	0.7
293.15387	6.5
296.14023	0.8
299.12781	1.2
301.14706	0.7
301.17938	2.4
311.16391	18.1
312.16849	1.4
329.17474	51.4
330.17810	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1746
Annotation	Lophodione
Peak:m/z	Relative Intensity
55.05495	1.2
55.39800	0.3
57.03432	0.4
65.03941	0.3
67.05489	0.9
67.95718	0.3
68.23684	0.3
69.03423	0.9
69.07053	1.1
69.07780	2.2
69.64333	0.3
74.09705	0.3
79.05492	2.3
81.07051	2.2
83.04966	0.7
83.08614	0.3
85.02929	0.4
91.05483	3.4
93.07046	3.7
95.01320	0.3
95.04964	1.2
95.08614	1.4
97.02881	0.9
97.06529	0.7
98.10258	0.3
98.98461	100.0
99.04462	0.4
100.98860	0.8
105.07017	3.0
107.04959	0.9
107.08607	2.8
109.06513	0.9
109.10165	0.5
111.04440	0.3
111.08083	0.5
111.50167	0.3
115.05458	0.6
116.99504	2.0
117.07037	0.9
119.08588	4.3
120.08878	0.3
121.02870	1.1
121.06512	1.6
121.10146	1.6
123.08078	0.6
125.06036	0.6
127.03889	0.3
128.06288	0.3
129.06975	0.8
130.07709	0.4
131.08566	3.7
133.06477	0.9
133.10141	1.6
135.08040	1.6
136.75929	0.3
137.06004	0.5
137.09665	0.3
138.90488	0.3
141.07014	0.6
142.07793	1.1
143.08565	1.8
145.10106	2.8
147.04424	1.5
147.07999	0.3
147.11684	0.5
149.06009	0.5
149.09630	1.1
155.08551	0.8
156.09338	1.9
157.10117	3.8
158.10872	0.3
159.08035	0.5
159.11662	2.1
159.50847	0.3
161.09654	1.2
163.07594	0.4
167.07115	0.3
167.08551	0.7
169.10129	1.9
170.10925	1.2
171.08098	0.4
171.11684	5.5
172.12265	0.3
173.06149	0.3
173.09605	0.6
173.13280	0.9
174.99202	8.1
175.07607	0.4
175.11124	2.6
175.14790	0.7
176.11775	0.4
176.98904	3.3
180.09299	0.4
181.10149	1.7
183.11664	1.4
183.41573	0.3
184.12529	1.0
185.09628	0.7
185.13255	2.6
186.13994	0.7
187.11154	0.4
187.14815	0.4
189.12778	1.0
193.10219	0.4
195.11699	1.5
197.09613	0.4
197.13312	1.1
199.07632	0.4
199.11177	1.0
199.14813	4.8
200.15512	1.1
201.09073	0.4
201.12740	0.3
203.14296	4.2
204.15051	0.8
207.11742	0.8
208.12479	0.8
209.09698	0.5
209.13214	0.8
211.14845	0.6
213.08940	0.5
213.10886	0.4
213.16414	0.5
215.10558	0.3
221.13278	0.7
222.14203	0.4
223.11157	0.5
223.14720	1.9
227.10710	0.9
237.16341	1.7
239.10561	0.3
239.14378	0.3
239.18205	0.3
241.08678	0.4
241.12241	0.4
241.15964	0.3
247.14828	0.4
251.10672	0.5
251.14322	0.7
252.99763	0.8
255.10228	0.4
255.17534	1.0
265.13315	0.4
265.15714	1.6
267.13992	0.4
268.07312	0.3
269.08057	0.3
269.11758	0.4
269.15369	0.6
283.13837	0.5
283.16928	3.8
285.14828	0.4
293.15445	2.1
301.18179	1.2
311.16296	6.7
312.05801	0.4
329.10147	1.3
329.17578	15.2
330.11008	0.4
330.17923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1745
Annotation	Nepetanudone
Peak:m/z	Relative Intensity
55.05500	2.0
57.07069	1.7
63.34200	0.6
65.03922	0.9
67.05511	4.7
69.03422	3.0
69.07057	1.8
69.16415	3.3
69.16821	1.7
78.42806	0.6
79.05481	3.2
81.03447	1.8
81.07051	4.2
83.04984	1.6
85.02897	1.4
91.05482	5.4
93.07050	5.6
95.04967	2.8
95.08610	3.3
97.02898	1.8
97.06520	2.2
98.23451	1.2
98.97819	1.6
98.98465	28.8
99.04486	1.3
100.98907	0.7
105.04514	0.7
105.07024	6.0
107.08600	2.8
108.02106	5.0
109.06514	1.6
111.04449	1.4
113.06005	0.9
115.05479	0.8
117.07040	2.0
119.08580	8.0
121.06476	1.5
121.10161	1.8
123.08033	0.9
125.02368	1.0
128.06256	1.5
129.06993	2.5
130.07793	1.5
131.08562	5.2
132.05678	3.5
133.06496	6.6
133.10136	4.5
135.04427	3.2
135.08041	0.9
136.01526	3.6
137.74353	0.7
139.00168	0.8
139.03922	1.7
141.05437	0.9
141.06964	3.1
142.07774	3.2
143.03406	6.0
143.08583	7.1
144.09312	1.0
144.64966	0.7
145.06459	1.2
145.10120	9.1
147.08017	1.1
147.11728	1.7
153.06952	2.0
154.02597	2.9
154.07742	0.9
155.08574	7.0
156.09334	8.2
157.04964	1.0
157.10118	10.9
158.07190	0.8
158.10852	1.6
159.08038	2.5
159.11636	7.7
165.06932	3.8
166.07753	1.5
167.08539	5.5
168.09340	3.1
169.06454	1.4
169.10121	10.1
170.10909	6.6
171.06598	1.1
171.08014	0.9
171.11697	11.8
172.08839	1.0
172.12389	1.0
173.09618	5.4
173.13289	4.8
174.99216	2.5
178.07816	1.2
179.08598	7.0
180.09305	3.9
181.06506	1.1
181.10118	18.5
182.10812	3.6
183.11674	11.9
184.08788	1.1
184.12390	1.6
185.09668	2.4
185.13249	4.6
186.10399	0.7
187.11157	2.9
187.14790	3.5
188.11940	1.9
190.07863	0.8
191.08524	1.5
192.09274	3.4
193.10114	8.9
194.10918	5.1
195.11682	9.7
196.12460	11.5
197.09605	2.1
197.13231	9.7
198.10474	1.0
198.14001	4.7
199.11128	2.2
199.14725	1.6
201.12733	3.0
202.07750	0.8
203.08559	1.2
205.10080	2.3
206.10880	7.7
207.11676	12.7
208.12425	6.0
209.09593	2.2
209.13197	6.4
210.10287	0.8
210.13803	1.1
211.11209	3.1
211.14804	31.6
212.15326	3.5
213.09140	0.9
213.12712	1.2
213.16280	1.3
214.13440	1.4
215.14302	2.7
217.10156	2.4
218.10849	1.6
219.11719	2.7
220.12450	2.5
221.13243	26.9
222.13823	3.1
223.11177	3.5
223.14757	4.4
224.11845	0.9
225.12675	2.1
226.13559	0.9
232.12399	2.8
233.13254	2.5
234.13837	1.2
235.14748	2.5
236.11893	1.1
236.13263	1.5
236.15588	28.6
237.12662	1.4
237.16231	6.6
239.10649	0.9
239.14272	2.4
240.07755	2.5
241.12231	1.2
247.09607	0.9
247.14723	4.1
249.16437	1.4
251.10704	5.5
251.14183	2.6
253.12175	0.9
253.15796	1.7
254.16551	1.8
255.17439	1.2
260.12073	1.7
263.10614	1.9
264.11584	0.9
265.12344	1.4
265.15857	4.7
267.17355	1.3
268.07288	23.8
269.07657	1.1
269.11758	1.4
269.14929	0.7
271.13104	0.9
273.11166	2.2
275.14404	3.6
278.12915	2.4
283.13815	0.8
283.16766	3.5
285.07584	0.9
287.12823	2.8
293.15350	28.5
294.15668	2.3
296.03711	1.4
296.06799	17.4
297.07098	1.7
301.14310	2.7
311.16461	4.8
314.07755	4.1
329.10254	49.5
329.17429	100.0
330.10529	4.0
330.17709	8.4
339.34390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1745
Annotation	Lophodione
Peak:m/z	Relative Intensity
55.05499	4.3
57.03413	1.6
67.05499	3.9
69.03422	3.6
69.07057	4.1
69.22771	8.5
71.08595	1.3
77.85212	1.5
79.05499	7.1
81.03397	2.1
81.07050	6.0
83.04961	3.0
85.02884	2.5
91.05479	4.3
93.07043	7.5
95.04949	2.3
95.08599	5.3
97.06508	3.0
98.98463	100.0
99.04433	1.8
105.07027	6.5
107.04928	1.7
107.08587	6.9
109.06490	2.8
109.10087	2.6
111.08086	1.7
117.06972	3.2
119.08570	22.8
121.06462	1.8
121.10155	4.9
123.08073	3.8
125.05965	2.4
127.03898	2.1
128.06245	1.5
129.06999	3.3
131.08554	5.5
133.06480	5.3
133.10115	6.4
135.08035	6.5
135.11668	2.0
141.06950	2.0
142.07767	5.4
143.08600	8.1
145.06438	1.6
145.10120	10.3
147.04448	1.7
147.08018	2.1
149.09645	1.8
151.07428	1.8
153.05444	1.8
155.08530	7.0
156.09357	5.9
157.10124	17.5
158.10684	1.9
159.08052	5.1
159.11685	13.4
161.09592	4.2
163.07561	2.5
165.06981	3.2
166.07765	2.3
167.08534	3.8
169.10126	11.2
170.10892	11.0
171.08086	3.0
171.11699	19.5
173.09613	3.4
173.13254	3.8
174.99199	10.7
176.98921	4.2
179.08525	2.1
180.09393	1.4
181.10107	8.5
183.07974	1.5
183.11641	11.4
184.12457	6.6
185.09619	5.2
185.13210	12.7
187.11119	4.1
187.14809	2.2
189.12704	3.9
193.10135	4.2
195.11758	7.5
197.09567	2.0
197.13268	10.6
199.11147	5.5
199.14780	21.9
200.15508	1.4
201.09079	3.8
201.12646	1.7
203.14261	2.0
204.15071	2.4
207.11633	3.6
208.12422	5.7
209.09689	4.0
209.13220	5.8
211.14813	5.3
213.09061	3.1
213.12694	4.2
221.13243	3.3
222.14063	3.4
223.11281	2.7
223.14798	18.1
225.12749	2.3
227.10699	3.3
231.10144	1.6
232.12408	3.1
237.12668	1.5
237.16347	11.6
239.14346	1.8
239.18021	1.9
240.02425	1.6
241.12294	1.9
241.15924	3.2
244.00992	1.7
247.14886	2.9
251.14354	2.3
253.15807	1.8
255.10313	1.5
255.17462	6.7
259.09674	3.1
265.15872	10.5
269.11917	1.9
269.15399	4.3
283.16913	27.0
284.17325	1.9
287.16415	1.8
293.15280	9.1
301.18027	2.8
311.16367	27.5
329.06586	2.0
329.17450	91.7
330.17767	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	329.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56363	1.3
55.01859	1.9
55.05519	9.1
56.05836	3.3
57.03444	8.2
58.06590	3.1
59.04979	3.5
67.05505	40.5
68.05544	1.4
68.05840	13.8
69.07053	2.6
70.06588	14.9
71.04985	2.1
71.06911	4.0
72.04507	8.0
72.07790	2.0
72.08159	29.8
73.08478	7.6
79.05496	38.0
80.05829	20.7
81.07059	11.5
82.07400	4.3
83.04980	24.1
84.05306	8.7
84.08136	3.8
91.05472	3.3
95.04951	2.4
95.08592	2.1
98.09698	2.0
98.98454	3.3
100.07615	95.8
101.07322	1.4
101.07942	34.3
107.07921	2.7
107.08592	29.6
108.08933	24.2
109.64285	1.5
110.09683	9.1
111.10006	5.5
121.10143	1.5
124.11238	36.5
125.09629	100.0
125.11570	30.2
126.09959	76.8
152.10704	7.2
153.11040	5.0
179.16258	3.1
187.14445	8.1
187.71828	1.5
188.14758	13.1
193.90036	1.5
196.16978	2.4
197.17339	5.3
204.17053	14.7
205.17392	17.3
214.90514	1.4
225.16711	8.0
233.37604	1.5
256.20215	4.4
257.20490	17.9
269.23962	1.9
307.00766	1.8
311.25146	16.8
329.26248	91.0
330.26526	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	330.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.1
57.03419	3.6
58.06581	8.4
67.01853	17.5
67.05502	15.4
68.05835	2.7
68.99787	7.0
69.03421	5.4
69.07076	3.4
70.06589	27.0
71.04983	5.2
71.06915	6.6
71.43322	4.2
72.04498	5.7
72.08145	45.2
73.08483	8.6
76.07642	5.8
79.05486	16.2
81.07062	8.2
82.07387	2.9
82.68330	2.2
83.04969	6.8
84.08144	10.4
85.02901	5.0
85.08490	2.7
91.05480	3.8
95.01324	36.0
95.08626	2.6
96.04461	3.9
98.09682	7.9
98.98457	100.0
99.08070	3.0
99.10027	3.8
100.07609	87.5
101.07337	4.1
101.07942	33.2
102.08092	3.6
103.05434	11.2
105.03413	4.3
107.08593	13.1
110.09663	15.2
111.04437	2.4
111.10028	9.0
115.41697	2.5
121.02805	2.4
121.06539	3.7
124.07657	2.6
124.11214	7.4
125.09622	51.5
129.03380	6.9
131.04930	33.6
132.05258	2.8
136.11217	2.3
137.11482	2.3
142.40749	2.2
150.05510	4.4
154.01216	2.7
157.16275	2.1
160.96368	2.2
161.08183	2.3
163.00262	7.2
165.01822	2.4
168.06624	3.9
170.11746	7.3
170.66426	2.3
176.98915	6.3
181.01273	13.6
187.14415	5.1
188.14751	9.0
190.99744	33.1
195.15862	2.1
196.16942	24.3
197.17288	44.1
198.17566	4.9
200.01872	12.5
208.05060	4.8
209.00801	83.6
213.19606	24.6
224.16370	4.6
225.16750	10.9
226.03577	2.9
243.02937	3.0
244.04443	11.7
269.08020	4.9
273.04041	3.4
289.03427	3.4
295.05997	40.6
295.11401	3.1
296.06418	4.1
313.17963	3.2
315.08646	7.9
329.26273	47.6
330.06769	9.9
330.10321	10.0
330.20444	2.7
330.26968	49.3
331.07730	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	330.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
57.03435	1.9
60.38927	0.7
62.69761	0.7
67.05501	6.0
68.05827	2.2
68.99774	1.4
69.59934	2.5
70.06583	3.0
72.04510	1.4
72.08145	7.8
73.08472	2.2
77.03918	1.0
79.05492	6.5
80.05810	3.0
81.07047	1.6
83.04957	3.3
84.04485	2.5
84.05284	1.5
84.08138	1.0
91.05485	1.7
95.01346	1.1
95.04961	2.4
97.06489	1.0
98.98457	8.2
100.03951	1.4
100.07613	14.2
101.07930	4.7
103.05465	40.6
104.05798	1.4
105.07020	2.8
107.08591	4.9
108.08926	4.2
109.02869	1.3
110.09662	1.3
111.10008	1.2
112.03981	3.5
117.53009	0.7
124.11217	6.0
125.09624	15.6
125.11562	4.1
126.09950	9.6
127.10189	1.6
131.04916	100.0
132.05240	4.2
135.04317	1.0
137.02338	16.9
155.03400	1.2
163.03981	1.0
163.07558	2.3
165.01825	18.8
165.07042	0.7
167.08643	1.1
173.05997	0.9
177.07040	0.8
177.09132	0.9
180.17456	2.2
181.55214	0.8
187.14429	1.5
188.14828	1.2
190.99699	1.1
195.08093	3.2
198.03984	1.6
201.26752	0.8
204.17096	2.5
205.17366	3.1
208.05164	4.3
215.10497	0.8
221.11670	0.9
223.07564	2.2
225.05461	0.9
225.16783	1.2
226.03491	2.4
240.04091	0.8
241.08594	14.2
251.07056	7.0
254.05698	1.2
256.20227	1.2
257.20526	2.3
258.20770	0.8
265.91336	0.8
269.08051	6.2
270.05280	1.3
274.25528	0.9
287.05325	1.1
298.04510	1.1
311.25122	2.0
315.08591	5.9
316.05545	1.0
324.41034	0.8
329.26251	8.9
330.10623	4.3
330.26590	5.7
331.08066	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.8
53.03937	2.4
55.01870	1.0
55.59569	0.6
57.03424	1.3
69.03432	8.6
70.06574	2.8
71.05009	1.0
71.19326	0.8
72.08152	1.3
73.02916	2.9
78.03446	14.5
80.05012	2.4
81.03410	15.9
84.04533	0.7
84.08134	2.0
85.02901	11.4
86.09707	3.8
87.04445	1.0
91.05461	0.7
94.79202	0.6
96.04493	5.1
97.02888	4.1
98.98459	99.1
99.04467	3.7
99.98837	0.6
100.07647	0.6
100.98888	1.4
102.92557	0.6
106.02908	64.4
107.03231	1.6
108.08920	0.7
109.02878	11.4
114.16081	0.6
115.08706	0.5
116.07102	1.4
116.99480	2.3
124.03941	100.0
125.04269	2.2
127.03899	8.3
128.10655	0.9
136.93169	0.7
140.03380	0.7
142.25252	0.6
145.04907	0.9
147.04454	0.8
150.05466	1.1
153.05391	0.7
154.04990	1.1
154.94250	0.6
166.04968	1.5
167.80530	0.6
168.06561	1.9
174.99239	4.8
175.11931	1.3
175.99550	1.0
176.98907	6.0
187.14438	0.7
196.06042	0.7
232.06073	2.4
250.07086	29.8
251.07437	1.3
268.08133	20.8
268.88797	1.1
294.06006	1.9
305.18262	0.6
330.08105	1.0
330.11740	2.9
330.21494	1.0
331.09918	1.0
331.13522	1.4
338.88632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
56.05043	1.7
56.96564	34.7
57.03434	8.1
57.83040	1.4
58.03761	1.5
60.05640	1.7
61.02919	6.4
64.35092	1.4
67.05487	1.7
69.03423	9.7
69.07034	1.5
70.02959	3.7
70.06596	14.0
70.73209	2.7
71.01368	1.6
71.04964	1.7
72.08147	4.2
73.02909	31.6
81.03405	2.3
83.97630	1.7
84.04505	4.3
84.08138	23.8
85.02892	29.3
86.09702	15.3
87.04466	2.2
91.33324	1.3
95.35072	1.4
97.02874	15.1
97.99178	2.0
98.97594	49.9
98.98468	100.0
100.98885	2.2
101.00887	4.2
102.05542	1.6
103.03951	1.6
104.24616	1.4
108.08102	14.5
109.02841	1.8
110.07140	1.7
112.05026	2.2
113.03474	1.6
115.02444	5.8
115.03952	11.2
116.98627	31.0
116.99428	3.0
117.03970	2.3
119.01910	9.6
119.30283	1.6
120.02104	1.6
121.01678	5.5
121.99145	1.8
122.01998	1.6
124.02486	2.0
124.07571	3.7
127.03904	8.2
128.00218	1.8
129.03944	2.0
129.10225	12.2
130.03505	2.4
130.08644	2.6
131.01923	3.6
132.05058	2.6
133.01637	2.7
133.03447	6.4
133.04956	15.4
134.06026	2.3
134.99638	12.8
135.04990	1.9
136.06245	1.5
136.07570	2.8
137.05948	1.5
140.00206	8.6
140.98636	2.4
142.01785	2.4
142.03499	20.8
143.01889	1.8
144.05061	3.2
145.03506	4.1
145.04973	14.5
147.11282	3.9
148.04550	2.4
150.05432	7.0
151.08636	1.8
152.07045	10.9
154.03526	4.3
155.01895	2.2
156.05092	2.9
157.03525	2.1
158.01212	33.7
158.02350	2.4
158.04880	1.6
158.99673	2.6
160.04555	56.7
160.06450	3.7
161.03015	2.5
161.04774	1.8
162.06160	2.8
163.02695	2.0
163.05962	7.4
166.03503	2.8
168.06544	2.6
169.09676	1.8
172.04565	9.7
173.02377	2.4
173.10704	2.1
174.02737	3.8
174.06110	9.3
174.97618	8.1
174.99182	4.9
175.02708	2.4
175.07480	4.5
176.02232	15.5
176.98946	4.9
177.00780	2.3
178.01057	1.6
180.05038	2.1
184.04524	20.7
185.02994	2.3
186.06125	1.5
189.02052	1.6
189.03593	4.4
190.03790	2.4
190.05603	3.5
191.03317	12.9
192.03682	7.3
192.98775	4.6
196.04568	4.3
198.06145	5.8
198.97638	2.8
200.02232	15.3
200.03839	1.7
202.04036	2.2
202.05624	10.6
206.06990	2.1
210.02490	5.1
212.04105	4.7
215.03395	5.8
215.09938	1.9
216.00937	1.9
216.03777	4.8
216.98688	35.9
217.09674	3.4
217.98869	2.1
218.03329	11.2
223.01453	2.0
224.04030	4.0
224.07983	1.8
226.05640	2.5
227.03516	3.4
228.03584	3.9
230.05104	1.9
230.07072	5.6
233.04453	4.2
234.04826	4.6
234.99734	46.0
235.99913	3.6
238.01973	6.0
238.05597	2.2
240.03490	8.8
241.07066	1.8
242.05008	3.6
245.04652	1.6
247.03523	3.3
248.08064	8.0
253.08385	1.6
254.05055	3.8
256.03055	3.2
258.04636	4.5
259.08069	3.7
265.02594	4.3
270.04645	6.5
270.14816	1.9
271.09616	5.3
282.04840	8.7
288.05417	2.4
288.16068	4.9
289.10693	10.2
295.10266	2.5
300.05685	11.1
312.05865	5.0
312.10968	1.6
312.17264	1.7
314.12271	6.8
316.05075	10.5
321.98676	2.3
330.07129	41.5
330.11713	6.7
330.18246	4.2
331.06827	2.1
331.15244	3.1
331.23434	4.8
348.02789	6.2
348.08322	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	3.9
55.05508	51.4
59.05006	2.7
60.48878	2.3
66.53137	2.3
67.05499	23.7
69.03426	7.5
69.07070	14.5
69.53858	9.8
79.05492	12.2
81.03436	3.6
81.07048	15.3
82.70828	2.4
82.89185	2.5
83.04977	5.9
83.08629	31.7
91.05481	3.0
93.07033	7.4
95.04948	2.8
95.08523	2.6
97.10165	73.7
98.98476	6.7
99.49820	2.4
104.93410	2.6
105.07042	3.7
107.08577	23.7
109.10169	4.6
125.09631	65.3
131.10631	2.5
135.08070	4.5
143.10680	4.7
153.09096	5.0
171.10187	13.5
189.11206	100.0
259.20560	5.2
277.21594	43.6
295.22620	5.1
305.08301	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.0
57.03435	1.4
57.07075	3.6
58.06602	2.0
60.04512	1.2
67.05503	7.1
69.07064	3.7
69.29841	5.3
70.06586	1.8
71.08620	3.1
72.08149	4.7
74.06075	2.9
79.05486	4.1
81.07057	7.1
83.04984	1.5
83.08607	2.8
86.06469	1.1
87.04465	7.5
88.07625	4.1
91.05481	2.6
93.07019	2.4
95.04982	1.4
95.08622	5.8
97.10136	2.4
98.23451	1.7
98.98463	32.2
99.08071	1.5
101.06026	6.8
102.09155	1.4
105.06997	2.2
107.08591	3.3
108.02110	8.4
109.02453	4.0
109.10135	2.8
119.08572	2.7
120.09020	1.1
121.10103	1.5
125.09639	3.4
131.08450	1.1
132.05704	3.8
133.06400	4.7
133.10121	1.3
134.06839	6.3
135.04414	4.7
135.11690	1.3
136.01585	6.0
136.04761	3.2
137.01932	1.8
151.11238	1.1
154.02629	3.0
155.02991	2.9
155.10652	1.6
156.17467	4.5
160.29404	1.1
161.09534	1.3
170.06848	1.4
170.19009	1.7
172.12125	1.5
173.11726	2.4
176.98952	2.5
185.09105	1.3
185.91342	1.3
189.11177	3.7
198.06320	1.2
214.28557	1.2
240.07736	1.3
241.08192	4.6
253.04999	1.6
256.26392	3.1
268.07227	7.5
268.30075	7.2
269.07657	41.7
270.07947	2.4
270.28046	1.7
270.66714	1.0
277.21600	4.2
285.07159	2.2
286.07849	2.7
296.06662	2.8
297.07129	32.6
298.07190	2.3
313.07111	1.6
314.07693	2.2
315.08182	10.3
330.10532	100.0
330.17691	4.3
330.30014	13.0
330.33670	26.3
330.37006	0.7
330.37738	1.2
331.11160	5.5
331.15323	1.1
331.18811	8.6
331.22409	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01869	3.0
55.05504	23.0
56.05024	3.0
57.03417	12.7
57.03663	2.7
57.07066	9.8
58.06582	7.3
67.05499	44.0
68.09875	2.7
69.03413	5.6
69.07071	18.4
69.19486	12.2
69.19900	4.4
70.04059	3.1
70.06573	8.7
71.04977	4.7
71.08623	9.1
72.08149	18.5
74.06074	27.4
79.05494	18.7
80.87001	3.0
81.03398	3.8
81.07051	43.7
83.04993	4.5
83.08612	12.5
83.40655	2.7
85.06544	3.2
87.04467	14.0
88.07608	10.5
91.05460	11.0
93.07040	22.1
95.04945	7.4
95.08601	22.0
97.06506	3.2
97.10150	14.4
98.98454	76.8
99.08067	3.8
101.06019	27.9
102.09180	5.2
104.53022	2.8
104.61917	3.3
105.07021	12.9
107.08588	13.6
109.10143	18.7
111.08027	4.3
117.07003	3.5
119.08561	11.3
121.04511	16.0
121.10150	6.9
123.02431	4.5
123.11719	8.6
125.09622	11.6
133.06490	3.6
133.10179	4.3
133.61119	3.2
135.11717	4.6
137.09566	4.0
139.11198	5.0
147.11655	4.6
149.13231	3.7
154.75967	2.8
155.08588	3.3
155.10727	8.4
156.17517	18.6
157.10121	4.4
161.13257	6.1
165.12685	2.9
165.63675	2.8
170.19000	8.3
173.11751	14.4
173.13120	2.7
174.99118	3.6
179.14282	3.3
183.11705	2.8
189.11209	12.4
253.05119	3.6
256.26401	10.4
259.20416	3.8
268.29959	31.5
270.27942	4.7
277.21466	16.1
295.22644	9.6
313.06992	10.0
330.29910	50.7
330.33618	100.0
331.08118	11.0
331.18930	6.9
331.33975	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	330.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16151	0.7
53.38770	0.7
55.05509	5.4
57.03434	4.7
58.06598	7.1
59.04988	2.7
65.92310	0.7
67.05503	25.7
69.07065	2.1
69.85710	1.7
70.06583	4.4
72.08152	46.7
74.02431	3.4
76.07636	15.1
76.82516	0.8
79.05492	22.3
81.07048	10.5
83.04969	11.9
84.04509	1.5
84.08109	1.6
85.27928	0.9
89.10798	7.2
91.05456	1.1
95.04953	2.6
98.09669	1.0
98.22718	1.0
98.98458	5.9
99.08071	1.1
100.07629	1.1
102.05554	2.8
105.06987	1.8
107.08590	25.4
110.09637	0.9
119.06166	1.0
120.55605	1.0
124.07570	1.0
124.11216	12.9
125.09624	100.0
126.09959	1.5
141.13817	1.7
142.12277	2.0
152.10715	5.8
170.11748	17.3
170.13228	0.9
179.44156	0.8
181.46687	0.8
195.18591	2.3
196.16974	15.1
200.16530	1.2
209.96414	0.8
213.19601	59.2
214.18028	1.9
214.19923	1.8
234.52319	0.8
242.17514	4.6
259.20175	6.3
313.24854	1.3
330.27484	61.4
331.28030	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	330.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00479	0.7
55.05512	5.5
56.01393	0.8
56.32779	0.7
57.03442	4.6
58.06596	7.0
59.05001	2.0
65.03927	0.7
67.05502	27.4
69.07063	2.5
69.25787	3.8
70.06596	4.0
72.08154	55.6
74.02428	3.9
76.07639	16.0
79.05490	23.5
81.07055	11.5
83.04974	12.8
84.04507	1.6
84.08154	1.7
89.10793	8.3
91.05453	1.5
95.04955	2.7
97.10147	0.8
98.09689	1.5
98.98483	3.0
99.08066	2.0
100.07658	1.2
101.73402	0.7
102.05518	3.5
105.07027	1.3
107.08591	28.3
114.15176	0.8
116.06537	0.7
118.08681	1.4
123.11694	0.9
124.07587	0.9
124.11227	13.4
125.09630	100.0
126.09940	2.4
141.13899	1.1
142.12277	1.6
149.09575	0.9
152.10683	4.7
153.09071	0.8
170.11778	16.6
195.18581	1.4
196.16960	14.3
200.16415	1.2
209.71924	0.6
213.19609	57.1
214.19971	1.6
224.16377	0.9
230.02849	0.7
242.17485	3.9
259.20157	5.4
266.67117	0.8
313.24976	0.9
330.27493	48.7
331.27875	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99261	0.8
55.01853	1.4
55.05296	0.9
55.05512	9.2
57.03439	4.6
58.06599	5.5
59.04987	2.2
65.03920	1.1
67.05164	1.5
67.05502	22.2
69.03410	1.3
69.07052	1.1
70.06246	1.1
70.06592	14.3
70.55667	1.5
70.55997	1.0
71.04980	3.1
71.52311	1.0
72.08150	27.4
73.06554	6.2
74.02419	2.4
75.09222	2.6
76.07646	9.5
79.05487	18.3
81.07056	8.4
83.04973	10.6
84.04488	1.3
84.08139	2.0
89.10772	4.0
90.09195	7.6
91.05454	1.9
95.04976	2.9
96.04460	4.2
98.06071	1.5
98.09700	0.8
98.98459	26.8
99.08098	1.4
99.09194	2.6
100.07613	3.9
101.07131	1.9
102.05523	1.5
103.05453	1.5
105.07017	1.1
107.04958	0.9
107.08583	24.3
119.06065	1.3
121.14500	0.9
124.07590	1.9
124.11217	9.4
125.09621	100.0
126.09961	1.7
128.10680	1.7
131.04906	5.1
141.13817	0.8
142.12257	14.5
150.05484	1.9
152.10706	8.8
156.13831	1.9
168.06514	2.0
169.13361	1.1
170.11755	8.3
176.99017	1.0
184.13383	1.0
193.01297	1.1
195.18657	1.0
196.16957	10.3
199.18050	8.6
200.16457	1.4
208.06026	1.5
213.19589	27.6
214.18004	23.5
214.20076	1.4
215.07153	1.1
224.16458	2.7
242.17604	1.7
259.20184	2.4
260.14810	0.9
300.05655	0.9
312.12311	3.2
330.13675	1.1
330.27490	37.4
331.08411	1.2
331.27890	1.4
348.76031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39625	0.7
55.05506	5.6
56.01416	0.9
57.03441	4.2
58.06598	6.4
59.04992	2.2
62.66274	0.8
67.05504	27.1
69.07063	1.4
69.68439	3.3
70.06589	6.1
71.04954	0.9
72.08154	38.3
73.06535	0.9
74.02435	3.2
76.07643	14.1
79.05494	18.4
81.07065	8.0
83.04980	14.1
84.04501	1.3
84.08115	0.9
89.10805	6.0
90.09210	1.2
91.05471	1.9
95.04964	2.8
98.98457	3.3
99.08076	0.8
100.07597	1.6
102.05522	2.9
105.07068	0.9
107.08592	27.9
109.06542	1.3
124.07520	1.5
124.11224	12.0
125.09631	100.0
126.09949	2.6
128.10739	0.9
131.04919	2.0
141.13881	1.7
142.12257	2.5
152.10732	6.0
153.09090	1.2
156.13902	0.9
170.11755	13.8
193.00473	0.8
195.18576	1.4
196.16969	10.4
199.18030	2.8
200.16460	1.2
213.19608	46.0
214.18108	3.7
214.19905	1.4
224.16533	0.8
242.17535	2.5
251.86517	0.7
253.74869	0.8
259.20093	4.0
313.24808	1.0
330.27493	48.7
331.27725	2.8
339.74893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
57.03423	1.8
67.05502	2.5
69.21349	1.5
69.21757	2.6
72.08154	4.2
76.07633	1.6
79.05482	1.7
81.07076	1.6
83.04954	1.2
91.05486	2.0
95.04916	0.8
95.08568	0.8
96.01852	1.2
98.98465	19.2
101.02387	2.3
103.05469	12.5
107.08580	2.3
119.03400	1.8
119.79778	0.7
123.00558	1.4
124.11207	0.9
125.09621	7.5
127.00034	4.5
131.04924	79.0
132.05238	2.3
132.39548	0.7
137.02344	0.7
137.05992	1.4
145.06465	1.3
149.05936	1.6
151.07547	3.0
157.01367	0.7
163.07512	3.1
165.01830	1.3
165.09055	5.4
166.99741	1.1
170.11737	1.6
173.05992	0.8
176.98930	2.3
177.09171	1.2
183.02681	2.5
191.10670	2.5
196.16991	1.1
205.08585	3.6
205.12151	0.9
209.00793	0.9
211.71104	0.7
213.19568	3.3
214.17775	0.8
214.19873	1.0
217.12279	1.1
227.06776	100.0
228.07214	3.8
243.13954	1.1
245.07919	0.9
270.05148	1.8
285.18460	2.9
287.05792	1.1
287.08646	3.7
298.04666	1.9
301.06116	4.8
313.18015	1.5
315.04541	1.1
316.05496	1.3
330.27393	3.3
331.07925	14.5
331.11127	4.7
331.18930	2.5
331.27866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0808
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
52.03166	0.3
53.03926	0.5
55.01857	0.6
55.05511	3.1
55.66539	0.3
56.02177	0.4
56.05826	1.0
57.03437	1.6
58.03761	0.4
58.06588	1.5
59.04980	1.4
59.05261	0.3
59.06918	0.5
59.84352	0.4
67.01878	0.4
67.05502	11.3
68.05042	0.4
68.05493	0.6
68.05836	5.3
68.99789	0.7
69.03429	0.3
69.06175	0.9
69.07063	0.8
69.75679	0.7
70.06590	4.6
70.07404	0.4
70.95781	0.3
71.04978	0.4
71.06921	1.9
72.04509	2.1
72.07262	0.4
72.08152	10.7
73.04830	0.9
73.08486	4.2
79.05488	11.8
80.05823	6.7
81.06145	1.2
81.07049	3.2
82.06605	0.4
82.07373	1.7
83.01350	0.4
83.04979	6.3
84.05308	3.4
84.08131	1.3
85.05360	0.6
85.08482	0.7
91.05467	1.3
92.05804	0.7
95.04954	0.8
95.08607	0.6
96.05294	0.8
96.08958	0.4
98.09688	0.3
98.23389	0.6
98.98463	6.9
100.07614	22.6
101.07330	0.8
101.07940	13.1
102.08040	3.8
103.05460	1.1
105.07030	1.2
106.07347	0.6
107.04947	2.8
107.08582	10.0
108.02085	2.2
108.08245	0.3
108.08918	7.6
109.06449	0.4
109.09255	2.4
110.09689	2.4
111.10001	2.1
112.10355	0.5
123.04422	0.3
124.01586	1.0
124.11229	10.3
125.09632	20.5
125.11557	9.6
126.09955	22.8
126.11900	3.7
127.10220	9.6
128.10486	0.5
131.04922	1.8
134.03633	6.1
135.04420	2.3
136.01549	3.3
136.05171	0.8
137.02362	2.0
137.05949	0.4
139.00246	0.9
152.01044	1.7
152.10667	1.2
153.01814	4.3
153.11026	1.5
154.02592	2.0
154.11240	1.0
155.03192	0.4
161.02318	1.0
163.00258	0.4
164.01024	0.7
165.01852	1.4
165.05443	0.8
165.09079	0.7
166.85455	0.3
166.99806	0.8
170.02127	1.0
173.05957	0.4
176.98938	0.5
177.05467	0.8
178.02592	1.0
180.17480	1.1
181.01300	2.9
182.02071	2.5
186.06821	0.8
187.14407	1.0
188.14825	1.9
189.14969	1.6
190.99753	0.7
195.73128	0.3
196.05200	0.5
196.16963	0.6
197.04451	7.7
197.06180	0.4
197.17252	0.8
197.20131	0.4
198.01572	0.9
198.17592	0.7
199.17630	0.4
200.03102	0.4
204.17090	1.9
205.17419	2.4
206.17531	3.4
209.00819	0.6
213.05408	0.8
213.19571	0.7
214.06242	0.8
225.16742	1.1
226.16968	1.6
239.07118	0.4
241.04980	1.1
242.05632	1.9
252.04218	0.8
253.04924	0.5
256.20264	0.8
257.20490	2.5
258.05225	0.4
258.20743	4.2
259.21051	0.7
269.04434	4.5
270.05206	16.9
271.05612	0.9
273.03909	2.0
281.04300	0.5
285.03925	1.7
286.04657	0.8
287.02322	0.7
287.05472	13.1
288.05829	0.8
297.03912	2.4
298.04700	23.7
299.05420	2.9
300.06024	0.5
301.03464	1.4
302.04187	0.7
312.25391	4.0
313.03448	0.4
313.26181	0.4
315.01193	0.4
315.04956	12.7
316.05734	17.9
317.06149	0.8
330.26501	24.6
331.08090	100.0
331.26712	3.2
332.08389	4.5
338.14352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
54.73357	0.4
68.99788	2.2
70.37537	1.4
71.01323	0.5
72.08142	1.3
79.05487	0.8
91.05434	0.6
91.74702	0.4
95.01281	0.6
95.08658	0.6
98.97823	1.1
98.98461	17.2
99.00801	0.6
103.05450	3.9
105.03425	0.7
105.07014	2.4
107.04949	1.6
108.02083	1.0
108.88078	0.5
113.02366	2.1
121.02908	0.5
123.00780	0.8
125.09654	2.7
126.82546	0.4
131.04922	17.4
132.05220	0.9
134.03607	4.0
135.04424	1.0
136.01578	1.9
137.02336	1.9
139.00250	1.6
139.03964	0.6
141.01782	0.5
145.06470	0.5
148.05061	0.4
149.05946	0.6
151.40761	0.5
152.01080	0.8
153.01808	2.8
154.02609	1.8
155.13304	0.4
157.01309	1.6
161.02336	0.6
163.00296	2.9
165.01828	1.7
166.99722	3.4
168.00504	1.5
170.35597	0.5
173.05995	1.6
174.99260	0.5
176.98923	1.5
177.05444	0.8
178.79398	0.6
181.01280	2.7
182.02066	2.0
183.04414	0.9
185.00797	1.5
186.01512	0.6
190.99767	4.0
197.04459	2.5
209.00801	5.6
213.19594	0.7
225.05418	1.7
227.01845	3.7
235.11017	0.5
239.06940	1.9
241.04974	0.5
242.05707	0.7
245.04500	4.1
253.05042	0.6
267.06607	1.3
269.04480	1.4
270.05194	7.3
271.05991	1.2
273.03922	5.8
285.03885	0.8
287.05453	6.1
288.06076	0.8
291.02625	0.7
295.06006	1.6
297.03876	0.8
298.04709	17.1
299.05313	2.9
300.05875	0.6
301.03259	6.2
301.05884	0.8
302.03894	0.6
313.07047	4.2
313.17889	1.6
315.04980	8.0
316.05762	45.4
317.06165	2.1
330.27042	0.7
331.08090	100.0
331.18979	1.6
331.27579	1.0
332.08447	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	331.0805
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
52.88873	0.2
53.04349	0.2
55.01878	0.3
55.05517	0.3
57.03424	0.4
59.05006	0.3
67.05507	1.7
68.02627	0.3
68.05839	0.8
68.99785	0.4
69.03418	0.3
69.06145	0.2
69.89133	0.6
69.89465	0.2
70.06578	0.8
71.06904	0.3
72.04507	0.3
72.08144	2.3
73.08476	0.7
76.38322	0.2
78.04716	0.3
79.05495	2.6
80.02609	0.3
80.05820	0.9
80.58819	0.2
81.06152	0.4
81.07060	0.6
83.04988	1.0
84.05290	0.6
84.08177	0.2
91.05475	0.4
95.01350	0.4
95.08627	0.3
96.02127	0.6
98.23350	0.3
98.98462	3.7
100.07615	3.2
101.07926	2.1
102.08075	0.7
103.05472	0.6
105.06996	0.4
106.04177	0.4
106.18729	0.2
107.04955	2.2
107.08573	1.7
108.02110	0.6
108.08929	1.4
109.09257	0.4
110.03641	0.3
110.09686	0.5
113.02326	0.3
123.04408	0.3
124.01567	1.2
124.11229	1.7
125.09624	4.8
125.11566	1.2
126.09954	3.1
126.11977	0.5
127.10180	1.4
127.50131	0.2
131.04929	2.5
132.05180	0.3
134.03615	2.6
135.04413	1.9
136.01527	2.4
136.05156	0.3
137.02315	1.9
138.03120	0.2
139.00256	0.4
147.04451	0.2
152.01039	2.6
153.01813	3.5
153.11073	0.4
154.02609	1.7
158.07301	0.2
161.02312	0.8
163.03751	0.2
163.07555	0.3
164.01056	0.5
165.01877	1.3
165.09105	1.6
166.02657	0.4
166.99773	0.6
170.02126	0.9
173.06042	0.3
174.99199	0.2
176.98914	0.3
178.02573	1.5
181.01311	2.8
182.02074	2.0
183.02850	0.3
184.03677	0.4
185.00839	0.3
185.05984	0.6
186.06757	0.7
187.03893	0.3
189.15018	0.4
190.99750	0.5
191.10747	0.5
196.05197	0.3
196.16914	0.3
197.04440	8.0
197.05974	0.6
197.20215	0.2
198.01619	1.0
198.04759	0.3
200.03133	0.6
204.17186	0.3
205.12267	0.3
205.17426	0.5
206.17558	0.6
209.00774	0.9
213.05444	0.8
214.06203	0.7
219.02930	0.4
225.05351	0.3
227.01862	0.5
231.03003	0.2
238.23155	0.2
239.91730	0.2
241.04909	1.1
242.05727	1.8
252.04257	0.7
253.04912	0.6
258.05209	0.3
258.20703	0.5
263.05783	0.2
269.04434	5.1
270.05203	20.8
271.05762	1.0
273.03970	1.7
280.03525	0.3
281.04297	0.5
285.04028	1.4
285.18469	0.6
286.04593	0.9
287.05472	11.6
288.05847	0.5
295.05981	0.3
297.03992	3.0
298.04688	11.6
299.05453	2.7
300.06128	0.3
301.03427	0.8
302.04068	0.8
312.25433	0.6
313.03406	0.4
313.07089	0.7
313.17960	0.2
315.01154	0.3
315.04962	11.3
316.05743	16.8
317.06039	0.6
330.26547	4.5
331.08087	100.0
331.26743	0.9
332.08447	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	331.0808
Annotation	Dillenetin
Peak:m/z	Relative Intensity
53.03925	0.4
55.05511	0.7
59.33358	0.3
60.25974	0.4
68.99776	0.4
69.03420	0.7
69.07050	0.6
79.05473	0.6
79.61105	0.3
81.03406	1.0
81.07026	0.6
82.03738	0.5
83.08595	0.4
83.14013	0.3
91.05477	0.7
93.07029	0.4
95.04939	0.8
95.08585	0.7
97.06500	0.3
98.98454	28.2
100.98869	1.0
105.07027	0.8
107.04912	0.6
107.08526	0.3
108.02083	3.2
109.10118	0.4
116.99482	0.9
117.06968	0.5
119.08565	0.6
121.10115	0.8
123.04430	0.9
131.08542	0.5
134.03601	2.2
135.04385	2.3
136.01485	2.4
136.05159	1.5
137.02333	2.7
140.01039	0.5
145.06490	0.4
145.10069	0.7
149.05997	0.5
151.03856	0.5
152.01080	0.9
153.01802	0.9
154.02635	2.1
157.10092	0.5
159.11656	0.5
163.07526	0.8
165.01891	0.7
165.05501	0.4
168.00562	1.9
168.05667	1.0
174.99225	1.0
176.98930	2.1
177.05437	1.8
181.01224	1.6
183.08015	0.4
185.05920	0.4
186.01526	1.2
186.06754	0.4
187.07710	0.4
197.09648	0.4
198.01556	0.5
201.09099	0.5
203.10568	0.4
213.05435	0.5
217.08553	0.8
228.07867	0.6
229.08592	0.7
231.10072	0.4
242.05804	1.7
243.10141	0.7
245.04390	1.6
255.10190	0.7
258.05212	0.6
270.05191	14.1
270.12369	1.2
271.05609	0.6
271.17166	0.4
273.03900	3.5
283.13278	1.2
285.14789	1.2
286.04523	1.3
287.05457	16.7
288.05762	0.5
295.16876	0.7
297.03848	0.4
298.04694	12.9
298.15616	1.6
299.05423	3.9
301.03418	4.2
302.04187	1.1
313.03537	1.0
313.17966	6.2
315.01169	0.5
315.04935	20.2
316.05710	30.0
317.06104	1.5
330.17697	0.7
331.08066	100.0
331.18747	5.2
332.08490	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	331.081
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
53.47139	0.3
65.41344	0.3
69.19507	2.0
79.60782	0.3
80.02612	0.4
91.33168	0.3
98.23444	0.6
98.98465	2.0
108.02090	10.6
134.03615	3.6
134.18024	0.3
135.04407	4.3
136.01552	8.0
137.02353	3.6
140.06189	0.7
151.03918	0.6
152.01024	0.6
154.02615	5.3
168.00537	2.1
168.05693	1.4
185.05927	0.5
186.01625	0.5
186.06726	1.1
196.05252	0.8
197.05998	0.8
213.05489	1.1
214.06226	0.7
223.93330	0.3
241.04886	0.4
242.05710	5.0
243.06047	0.4
245.04488	1.4
268.03601	0.4
269.04465	0.6
270.05200	39.8
271.05576	2.2
271.08694	0.3
273.03958	3.0
286.04694	1.0
287.05502	2.7
297.04190	0.5
298.04697	37.7
299.04904	2.0
301.03406	3.0
302.03372	0.4
303.84201	0.4
315.04883	2.0
316.05746	26.4
317.06171	1.6
331.08090	100.0
332.08423	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	331.0811
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
50.89818	0.3
51.12687	0.3
69.33276	1.7
72.08121	0.7
91.05465	0.6
91.06669	0.3
98.23540	0.4
98.98447	4.6
105.06988	0.5
107.04886	0.4
107.08532	0.3
118.04134	1.0
119.04933	5.3
121.02854	4.0
121.03683	0.5
124.01532	0.5
124.71221	0.4
125.09598	0.6
131.04878	1.3
135.04366	0.3
137.02341	0.4
139.14848	0.4
145.06424	0.4
147.04391	0.4
151.07520	0.4
152.01013	0.5
153.01784	0.5
154.99739	5.0
161.05931	0.5
163.03879	0.5
163.07512	1.4
170.02097	0.6
174.06798	0.3
175.07413	0.3
176.98843	0.3
177.09042	0.4
180.00504	1.0
181.01210	0.7
181.35760	0.4
182.99234	11.1
185.05850	0.5
190.99867	0.4
197.04352	0.8
198.01602	1.7
201.00273	6.1
202.00699	0.4
209.00824	0.6
213.03735	0.7
213.05536	1.6
213.19611	0.5
214.06219	3.8
241.05046	0.9
242.05753	0.9
269.04440	0.8
270.05231	4.3
271.05402	0.5
273.03928	8.3
286.04648	0.4
287.05475	0.9
298.04691	16.0
299.05219	0.9
301.03387	64.3
302.03769	3.4
313.17816	0.4
315.04926	1.1
316.05750	11.4
330.27277	0.4
331.08081	100.0
332.08441	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	331.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88873	0.2
53.04349	0.2
55.01878	0.3
55.05517	0.3
57.03424	0.4
59.05006	0.3
67.05507	1.7
68.02627	0.3
68.05839	0.8
68.99785	0.4
69.03418	0.3
69.06145	0.2
69.89133	0.6
69.89465	0.2
70.06578	0.8
71.06904	0.3
72.04507	0.3
72.08144	2.3
73.08476	0.7
76.38322	0.2
78.04716	0.3
79.05495	2.6
80.02609	0.3
80.05820	0.9
80.58819	0.2
81.06152	0.4
81.07060	0.6
83.04988	1.0
84.05290	0.6
84.08177	0.2
91.05475	0.4
95.01350	0.4
95.08627	0.3
96.02127	0.6
98.23350	0.3
98.98462	3.7
100.07615	3.2
101.07926	2.1
102.08075	0.7
103.05472	0.6
105.06996	0.4
106.04177	0.4
106.18729	0.2
107.04955	2.2
107.08573	1.7
108.02110	0.6
108.08929	1.4
109.09257	0.4
110.03641	0.3
110.09686	0.5
113.02326	0.3
123.04408	0.3
124.01567	1.2
124.11229	1.7
125.09624	4.8
125.11566	1.2
126.09954	3.1
126.11977	0.5
127.10180	1.4
127.50131	0.2
131.04929	2.5
132.05180	0.3
134.03615	2.6
135.04413	1.9
136.01527	2.4
136.05156	0.3
137.02315	1.9
138.03120	0.2
139.00256	0.4
147.04451	0.2
152.01039	2.6
153.01813	3.5
153.11073	0.4
154.02609	1.7
158.07301	0.2
161.02312	0.8
163.03751	0.2
163.07555	0.3
164.01056	0.5
165.01877	1.3
165.09105	1.6
166.02657	0.4
166.99773	0.6
170.02126	0.9
173.06042	0.3
174.99199	0.2
176.98914	0.3
178.02573	1.5
181.01311	2.8
182.02074	2.0
183.02850	0.3
184.03677	0.4
185.00839	0.3
185.05984	0.6
186.06757	0.7
187.03893	0.3
189.15018	0.4
190.99750	0.5
191.10747	0.5
196.05197	0.3
196.16914	0.3
197.04440	8.0
197.05974	0.6
197.20215	0.2
198.01619	1.0
198.04759	0.3
200.03133	0.6
204.17186	0.3
205.12267	0.3
205.17426	0.5
206.17558	0.6
209.00774	0.9
213.05444	0.8
214.06203	0.7
219.02930	0.4
225.05351	0.3
227.01862	0.5
231.03003	0.2
238.23155	0.2
239.91730	0.2
241.04909	1.1
242.05727	1.8
252.04257	0.7
253.04912	0.6
258.05209	0.3
258.20703	0.5
263.05783	0.2
269.04434	5.1
270.05203	20.8
271.05762	1.0
273.03970	1.7
280.03525	0.3
281.04297	0.5
285.04028	1.4
285.18469	0.6
286.04593	0.9
287.05472	11.6
288.05847	0.5
295.05981	0.3
297.03992	3.0
298.04688	11.6
299.05453	2.7
300.06128	0.3
301.03427	0.8
302.04068	0.8
312.25433	0.6
313.03406	0.4
313.07089	0.7
313.17960	0.2
315.01154	0.3
315.04962	11.3
316.05743	16.8
317.06039	0.6
330.26547	4.5
331.08087	100.0
331.26743	0.9
332.08447	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	331.0809
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
50.63682	0.6
53.03943	0.7
53.42133	0.6
55.01857	1.3
55.05513	4.4
56.05028	1.7
56.05843	1.5
57.03438	6.2
58.03765	2.3
58.06587	5.0
59.03845	0.7
59.05004	1.0
59.06919	1.5
59.79600	0.7
65.03928	0.6
67.05497	6.7
68.05033	0.9
68.05853	3.3
68.99782	6.3
69.03445	3.3
69.06182	0.8
69.07053	1.2
70.06590	25.4
71.04993	1.6
71.06291	1.0
71.06924	9.7
71.43105	0.6
72.04515	8.6
72.06607	0.7
72.07275	1.1
72.08153	32.7
73.04852	2.5
73.06556	0.8
73.07861	0.8
73.08483	11.4
73.08856	1.2
74.08794	0.7
76.07632	1.6
79.05490	8.5
80.05822	3.5
81.03410	2.3
81.06187	0.9
81.07054	18.5
82.06590	1.0
82.07382	10.9
83.04970	2.5
83.07709	2.3
83.08638	0.8
84.04504	0.9
84.08137	10.2
85.02898	1.5
85.08466	5.2
86.08829	0.8
89.10790	1.1
90.09179	1.7
91.05457	2.1
93.03341	0.6
93.07028	1.6
94.07392	1.0
95.01332	1.8
95.04950	1.1
96.08139	1.2
97.02903	5.0
97.08418	0.9
98.09695	15.1
98.98463	46.7
99.08087	5.7
99.09401	1.2
99.10011	11.0
100.07616	88.1
100.08352	4.1
100.10361	2.5
100.98895	1.4
101.07332	3.0
101.07939	51.9
102.08050	16.0
103.05450	1.5
103.08390	1.6
105.03388	0.8
105.07056	1.2
107.04945	3.2
107.08580	5.1
107.78580	0.7
108.05301	0.7
108.08176	0.7
108.08893	3.1
109.02889	4.5
109.09242	1.2
109.10089	0.9
110.09689	12.0
111.09985	8.7
112.10369	1.9
115.03889	1.4
117.10264	1.2
118.10625	0.7
119.01322	0.8
119.04917	0.8
120.08105	1.8
121.02859	0.9
121.08453	1.1
121.10188	1.1
123.00775	0.7
124.01574	1.4
124.11223	1.5
125.09632	11.4
125.11543	1.2
126.09183	0.8
126.10007	4.6
127.10218	1.2
127.12312	1.1
128.10648	0.7
128.12610	1.5
129.10229	0.9
131.04921	4.5
132.05260	0.9
134.03621	2.9
134.09619	0.9
135.04410	1.2
135.10085	0.8
136.01593	1.2
136.05247	0.8
136.11174	1.6
137.02345	5.4
137.05952	1.4
137.11594	1.6
139.00240	1.7
139.03970	0.8
141.01799	1.0
142.12277	0.7
147.04402	1.6
149.02316	0.9
150.09933	0.7
151.07568	1.6
152.01064	1.9
152.10770	0.7
153.01797	4.2
154.02594	1.8
155.03372	1.8
161.02333	1.1
165.01833	7.5
166.12320	0.6
166.99817	0.8
167.02090	1.4
168.00520	0.7
169.01289	1.5
170.02068	1.0
170.11755	0.9
174.99167	1.6
176.98927	3.1
178.02534	1.1
178.15892	1.6
179.12602	0.7
179.16269	0.9
180.16588	1.2
181.01337	2.7
182.02084	1.9
183.02878	2.8
185.00809	2.6
185.06053	1.2
186.06833	0.7
187.14397	3.6
188.14738	7.3
189.14948	6.5
190.15096	0.9
193.01378	1.4
194.04510	3.0
196.16972	13.7
197.04443	7.0
197.05991	1.1
197.17310	20.0
198.01620	1.2
198.17580	22.4
199.17896	1.9
200.03084	0.8
205.17351	1.2
206.17628	1.4
207.15852	0.8
209.00801	1.2
210.01128	0.9
211.02362	65.1
212.02678	1.4
212.05542	4.1
213.19576	3.3
214.06230	1.5
214.18056	1.6
214.19949	1.2
224.16415	2.8
225.16795	6.7
226.17006	11.0
227.01880	3.2
227.10704	1.0
227.17314	2.5
230.18602	2.6
231.18961	4.9
232.19171	4.4
233.19397	1.4
241.04855	1.3
242.05707	1.6
269.04474	4.9
270.05219	18.6
271.05585	0.8
273.03912	0.9
285.03867	2.4
286.04697	0.8
287.05432	11.7
288.05911	0.7
288.25653	1.3
296.06326	0.9
297.03995	3.4
298.04703	10.9
299.05402	2.0
312.25458	0.8
313.07224	0.9
313.17978	1.2
313.24094	2.5
315.04993	9.8
316.05670	11.4
330.26514	75.9
331.08090	100.0
331.26758	23.9
332.08115	4.4
332.11520	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	331.0812
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
53.34330	0.2
68.99782	0.3
69.07044	0.5
69.07463	1.1
72.08158	0.4
98.22614	0.4
98.98473	2.2
105.03386	0.6
106.04147	0.9
107.04947	0.9
107.08664	0.2
108.02076	0.7
121.99303	0.2
124.01590	0.3
125.09615	0.4
131.04915	0.7
134.03644	1.7
135.04381	0.9
136.01538	1.4
137.02327	1.3
138.03116	0.4
139.00244	0.7
145.04002	0.5
145.25989	0.2
152.01073	1.3
153.01826	2.6
154.02640	1.0
155.03458	0.3
158.07208	0.3
165.01782	1.0
166.02559	0.7
166.99728	0.2
170.02089	0.4
171.04311	0.2
176.98842	0.2
181.01303	2.2
182.02045	0.7
184.03656	0.7
185.05969	0.2
186.06798	1.1
190.99712	0.3
193.28374	0.3
196.05215	0.4
197.04457	2.6
197.06018	0.3
200.03157	0.3
213.05446	0.7
213.19690	0.2
214.06265	1.3
223.15266	0.2
224.04765	0.2
228.04205	0.3
237.57368	0.2
241.04964	0.9
242.05743	2.2
253.04807	0.3
258.05258	0.5
269.04492	1.0
270.05225	37.5
271.05566	1.9
273.03943	1.8
285.03903	0.9
286.04633	0.8
287.02316	0.5
287.05490	8.0
288.05878	0.3
297.03778	0.4
298.04715	33.0
299.05283	3.2
300.05994	0.2
301.03439	1.2
302.04294	0.4
308.09290	0.3
313.03592	0.3
313.07150	0.2
315.04980	9.9
316.05746	13.6
317.06219	0.6
331.08102	100.0
332.04440	0.3
332.08450	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	331.0809
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
55.01867	0.2
67.05476	0.3
68.02618	0.3
68.99812	0.3
69.51611	0.6
72.08133	0.5
78.04704	0.2
79.05465	0.4
91.05471	0.2
95.01296	0.2
95.04932	0.2
96.02084	0.7
98.98446	1.5
105.03394	0.2
106.04153	0.6
107.04241	0.2
107.04936	2.6
107.08563	0.2
108.02096	0.7
115.01959	0.1
119.04913	0.2
123.00813	0.2
123.04427	0.3
124.01559	1.2
125.09619	0.6
131.04918	0.5
134.03624	3.1
135.04430	1.9
136.01543	2.4
136.05121	0.5
137.02345	1.4
139.00266	0.7
147.04355	0.4
152.01022	2.8
153.01826	3.7
154.02606	2.2
161.02362	1.0
163.03912	0.2
163.07507	0.5
164.01001	0.6
165.01865	0.9
166.02586	0.6
166.99736	0.3
168.05775	0.2
169.01306	0.4
170.02071	0.8
178.02605	1.2
180.00551	0.4
181.01295	3.1
182.02087	2.1
184.03639	0.3
185.00801	0.2
185.05957	0.6
186.06691	0.7
187.03906	0.2
196.05112	0.3
197.04430	9.8
197.05908	0.4
198.01585	1.3
198.04735	0.3
198.06604	0.1
199.02274	0.2
200.03125	0.6
202.02644	0.2
213.05489	0.8
213.19691	0.2
214.06198	0.9
219.02753	0.2
224.04649	0.5
226.06165	0.2
227.03319	0.2
229.04852	0.2
241.04962	1.4
242.05724	1.9
252.04059	0.8
253.04916	0.4
257.04318	0.2
258.05237	0.3
269.04404	5.7
270.05197	22.4
271.05624	0.7
273.03961	2.0
280.03690	0.2
281.04428	0.5
285.03870	1.6
286.04675	0.8
287.05472	13.5
288.05807	0.6
297.03925	3.5
298.04678	12.5
299.05408	3.1
300.06232	0.1
301.03360	0.6
302.04031	0.7
313.03406	0.3
313.17883	0.2
315.04944	12.8
316.05743	17.8
317.06067	0.5
330.27386	0.3
331.08072	100.0
332.08426	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
50.40557	0.2
51.97485	0.2
55.64055	0.2
60.60862	0.2
68.99896	0.9
69.10240	1.0
69.10652	0.5
93.07099	0.2
94.18366	0.2
94.52258	0.2
96.23759	0.2
98.23499	0.4
98.90812	0.2
98.97129	0.2
98.97798	0.9
98.98582	6.1
105.07160	0.2
107.05073	0.4
111.04515	0.4
112.00427	0.2
112.01699	0.3
116.98741	0.3
116.99653	0.3
119.08717	0.2
125.06053	0.2
127.95822	0.2
133.02969	0.3
135.04466	0.4
136.21561	0.2
140.01089	0.3
147.04514	0.4
148.05278	0.3
149.06117	0.7
149.21400	0.2
150.06889	0.5
151.04044	0.7
161.06082	0.3
163.03984	0.3
166.99889	0.3
168.00523	1.8
169.01320	0.4
171.04501	0.5
175.03905	1.4
176.99069	0.5
177.05484	1.1
182.99292	0.3
183.02914	0.2
185.00972	0.4
186.01697	0.7
187.04039	0.6
197.06070	0.4
198.06827	0.2
199.03908	1.1
201.05415	0.3
203.03433	1.4
204.05034	0.2
214.06271	0.4
217.04900	1.3
225.05412	2.1
227.03413	0.8
229.05006	0.3
231.03052	0.6
237.02885	0.5
245.04437	9.6
246.04855	0.4
255.02945	0.9
270.05203	0.5
270.07965	0.6
273.03909	11.0
274.04211	0.4
287.05484	0.6
288.06207	1.3
297.07355	0.2
298.04681	0.6
298.07462	0.6
301.03397	15.3
302.03839	0.5
313.17801	0.4
315.04919	0.8
316.05737	79.2
317.06046	3.9
331.08044	100.0
332.08417	6.3
349.15237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74731	0.5
53.03928	1.4
54.86132	0.6
55.01872	5.1
55.05506	0.8
57.03428	0.6
58.99580	3.4
61.01147	4.9
65.03912	1.1
65.82280	0.6
67.05494	1.2
68.05034	0.9
69.03428	0.9
69.07069	0.6
70.06598	1.5
71.01353	2.9
71.22440	0.9
72.07795	0.6
72.08138	3.9
73.02910	1.5
74.99047	0.9
78.04720	0.7
78.98544	0.7
79.05491	5.6
81.07040	1.5
83.06088	0.8
83.08618	1.1
84.04493	3.0
84.08121	1.0
85.01122	4.3
85.02892	1.1
86.09694	6.5
86.99039	2.6
87.02685	11.5
87.10025	1.0
89.00609	13.4
89.02385	9.5
89.03898	0.7
90.04699	0.8
91.05479	4.0
93.07014	0.8
95.04964	6.4
96.04469	3.0
97.02895	0.7
98.06012	1.0
98.98460	100.0
100.98895	3.2
102.04673	2.2
102.98513	2.6
103.05460	15.9
104.06244	2.7
105.03410	1.0
105.04514	0.9
105.07026	24.5
105.65067	0.6
106.07349	1.0
107.04927	1.8
107.08614	0.9
111.04382	0.9
115.02158	7.9
115.05437	5.9
116.99499	2.3
117.07012	0.7
118.04153	9.0
119.04945	1.9
120.99574	6.2
121.06521	2.0
121.10163	0.7
122.01877	1.9
123.02657	0.6
123.04420	9.2
124.05203	0.9
125.09637	1.0
126.09220	0.7
127.03905	2.8
128.50105	0.6
130.04132	3.9
130.05022	1.5
131.04924	24.7
131.05907	1.5
131.08597	0.6
132.05707	23.1
133.06490	19.3
133.07510	0.9
134.01823	3.1
135.02631	1.8
135.04378	0.8
139.03896	2.5
140.04675	2.7
143.06053	1.9
145.06497	1.3
146.03630	1.5
147.02618	3.0
147.04399	4.8
148.05188	2.5
149.05957	1.3
149.09583	1.1
150.01338	11.7
151.02130	0.6
151.03885	0.8
151.07556	3.4
154.06252	8.5
154.08658	1.0
155.07022	26.0
156.07362	1.0
159.04457	1.0
160.05199	6.4
161.00549	1.6
161.05968	19.2
162.01340	6.9
162.06590	1.0
163.02124	4.9
163.07561	1.6
165.03691	23.1
166.04027	1.2
166.06268	1.3
167.07030	13.5
169.04941	0.9
173.05974	1.8
174.99232	3.6
176.04678	7.2
176.98842	6.7
177.05443	6.0
178.00816	7.9
178.05907	0.9
179.01476	1.5
179.07013	1.0
185.16551	1.8
190.00812	7.4
191.01605	3.6
191.07018	35.9
192.07790	31.7
193.03178	25.9
193.08557	4.8
194.00414	1.1
194.03593	1.0
194.09338	5.4
194.15318	1.0
202.14403	0.9
204.01637	0.7
204.13741	1.0
208.01871	4.9
209.02661	4.7
210.03410	2.5
211.02365	0.9
222.14786	1.2
223.04231	12.8
225.05780	7.5
231.04788	0.7
240.16000	0.7
241.05283	3.9
243.06778	1.9
250.14351	6.9
255.01726	1.2
268.15430	3.8
288.18250	0.7
294.04688	0.6
313.17557	0.9
316.09021	1.5
331.08359	19.3
331.11487	1.3
331.18881	0.8
332.08496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1023
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01871	1.0
56.96555	0.9
57.03429	0.6
61.02904	1.0
67.01854	1.0
68.99778	0.6
69.03417	0.8
69.06394	4.5
70.06582	1.7
72.08136	1.7
73.02924	0.9
77.03415	0.6
81.03413	1.0
83.06102	0.6
84.04481	1.0
84.08136	2.7
85.02898	4.2
86.09701	3.4
90.05554	0.7
97.02881	1.0
98.98457	100.0
100.98906	2.9
103.03918	1.4
108.08108	2.9
109.02858	2.8
116.98681	1.3
116.99504	2.9
119.04899	0.8
121.02898	1.0
123.04420	2.8
125.09633	1.3
127.03894	1.9
128.89565	0.6
129.10233	2.1
139.03816	0.9
147.04425	3.5
151.03899	7.1
152.07053	1.4
161.06068	0.8
163.03880	4.5
165.05434	3.2
169.04944	4.9
173.05959	0.7
174.99205	4.1
175.03922	2.3
176.98906	7.8
181.04947	10.8
187.03929	1.1
189.05440	1.4
193.04961	18.9
201.05519	1.0
205.04967	2.4
207.06520	6.5
211.05989	10.2
213.05423	1.1
217.05005	1.2
229.04953	2.7
231.06357	0.9
235.05975	12.3
241.04912	1.7
247.05998	11.9
249.07370	0.8
259.05966	6.5
265.07059	1.0
277.06934	3.3
295.08115	1.6
314.12302	1.2
330.27319	0.9
331.07391	0.9
331.13708	1.9
331.23538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1024
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.62984	0.8
55.01868	1.5
55.05503	1.3
56.01403	0.9
56.05040	0.7
58.06589	3.5
65.03929	3.7
67.05495	4.8
69.03427	2.6
69.67027	2.9
70.06593	5.5
72.08154	33.5
73.08482	3.0
74.02442	1.2
76.07638	3.5
79.05489	2.9
81.03413	3.3
81.07059	3.7
83.04988	1.2
84.08151	5.9
84.82888	0.8
85.02884	4.5
93.03406	2.2
93.07021	1.8
95.04945	1.8
95.08564	0.9
96.04544	0.8
97.02887	1.6
98.09713	1.7
98.98460	68.0
99.08106	1.1
100.07585	1.4
100.98843	1.0
102.05532	1.2
107.04951	1.6
107.08591	2.9
108.02092	2.4
109.02909	1.5
110.09665	2.3
111.04436	3.1
112.03957	8.7
112.11241	7.7
113.11588	1.6
116.99489	1.9
123.08029	0.8
124.11216	1.4
125.05992	2.3
125.09615	2.7
126.09955	0.8
129.13896	5.2
132.05215	0.7
136.11115	0.9
139.01498	1.0
141.05460	2.8
142.12271	1.1
146.16554	1.6
149.09677	1.0
151.03903	100.0
151.04999	9.1
152.04228	3.1
169.04971	8.5
169.08612	0.9
170.08118	6.6
171.04408	0.9
172.15399	0.9
174.99237	2.5
176.98882	4.8
189.09038	1.0
196.15170	1.0
196.16942	17.5
197.17282	5.6
200.16516	1.2
213.19618	16.7
214.18033	4.6
214.19986	3.8
224.16492	1.7
242.17476	2.2
256.19086	1.9
257.19330	0.9
293.04044	0.9
295.08179	2.7
313.09286	1.4
313.24506	1.2
330.27533	16.4
331.27969	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	331.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01867	1.8
55.05508	0.6
57.03433	0.6
58.06595	0.6
65.03932	0.9
67.05512	2.6
68.99777	1.3
69.07047	0.7
69.19355	2.1
69.19769	1.4
70.06594	0.7
72.08144	4.9
73.08477	0.8
76.07625	1.1
77.03908	0.9
79.05489	2.8
81.03402	1.8
81.07030	1.5
82.46845	0.6
83.01332	0.8
83.04958	1.8
85.06529	0.6
91.05467	1.3
93.03421	0.7
93.07022	0.5
95.01320	0.8
95.04953	2.2
95.08566	0.8
96.02060	0.5
97.02885	0.7
97.06540	0.7
98.98457	41.7
100.98862	1.2
103.05459	28.9
104.05793	0.9
105.03394	2.9
105.04457	0.8
105.07048	2.6
106.04211	0.8
107.04287	0.5
107.04935	3.2
107.08604	2.0
108.02094	0.6
111.04433	0.5
115.05447	0.6
116.99494	1.5
117.07027	0.9
119.04929	0.6
121.02857	7.6
121.10124	0.6
122.88657	0.5
123.04436	3.4
124.01567	1.2
124.11183	0.6
125.09631	7.0
126.09927	1.4
127.03905	0.7
131.04915	99.7
132.05263	2.6
133.02841	1.6
134.03600	2.8
135.04390	1.6
136.01553	1.7
136.05177	0.5
137.02336	2.2
139.00256	1.2
141.05475	0.7
149.02348	1.1
151.03841	0.6
151.07506	0.9
152.01059	2.4
153.01793	4.6
154.02603	2.3
155.06972	0.6
161.02385	0.5
163.00179	0.6
163.03914	1.2
163.07556	2.2
165.01816	3.5
166.99818	1.4
167.03403	0.7
170.02145	1.5
170.11781	1.2
173.06006	1.2
174.99205	1.4
176.98901	3.1
177.09111	1.1
178.02661	1.3
180.17476	0.6
181.01315	4.3
181.04922	2.3
181.06461	0.8
182.02084	2.3
183.02725	0.7
185.05876	0.7
186.06735	0.8
191.43335	0.5
195.02815	0.8
195.08067	0.6
196.05190	0.6
196.16995	1.2
197.04445	8.9
197.06110	0.6
198.01656	1.6
198.04732	0.6
199.02391	1.0
200.03041	1.1
209.00877	1.3
209.04321	0.8
210.11113	0.6
213.05487	0.7
213.19624	3.5
214.06258	1.1
214.19942	0.7
225.12825	0.6
227.01880	1.3
227.05469	8.6
232.31192	0.5
241.04932	0.9
242.05707	2.0
245.06589	1.5
251.07004	1.5
252.04156	0.7
253.04820	0.7
258.05197	0.8
269.04401	4.9
270.05203	20.0
271.05789	1.7
273.03922	1.7
285.03809	2.5
285.18448	0.8
286.04492	0.9
287.05466	12.5
297.03922	3.1
298.04712	15.6
299.05444	6.6
300.05896	0.9
301.03241	1.1
301.06046	1.4
302.04022	0.7
313.03723	0.7
313.07047	0.9
313.17932	1.1
315.04944	11.8
316.05734	17.0
316.09366	1.1
317.06192	0.7
320.39651	0.5
330.27536	2.3
331.08081	100.0
331.11594	8.8
331.18546	3.0
331.27902	1.2
332.08466	6.6
332.12134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01853	2.4
57.03431	1.1
58.06580	0.9
61.65395	0.7
65.03920	1.9
65.11712	0.7
66.70181	0.9
67.05488	2.6
68.99799	2.4
69.03414	1.5
72.08139	2.6
76.09059	0.8
77.03896	1.6
79.05489	5.5
80.05825	1.7
81.03407	1.6
81.07047	3.1
83.04957	2.2
91.05476	34.7
92.05798	1.4
93.07067	1.1
94.04183	6.4
95.01337	2.1
95.04964	7.6
97.02898	2.2
98.98465	36.2
100.07625	2.5
100.98866	1.2
101.07954	1.5
103.05458	14.6
104.05778	3.3
105.03381	1.0
105.04505	1.4
105.07028	7.5
107.04954	12.0
107.08584	2.2
108.02102	1.2
108.05743	0.9
109.02874	2.0
109.06523	6.0
111.04446	1.7
113.02354	1.1
115.05444	3.9
117.03370	1.4
117.07023	3.1
118.04159	1.2
119.04942	23.3
121.02876	1.4
121.06516	8.2
122.03652	9.7
123.04447	1.1
123.08087	1.2
124.01546	1.7
124.11237	2.0
125.09627	4.0
125.11581	1.4
126.09972	4.2
127.05508	1.0
127.10174	1.3
128.06223	6.2
129.06076	1.6
129.07001	20.3
131.04918	27.3
131.08539	1.5
132.05238	9.4
133.06490	3.0
134.03621	4.1
135.04376	3.7
135.08041	5.2
136.01503	1.3
136.05200	4.4
137.02438	5.3
137.05968	93.4
138.06313	2.9
139.00266	2.1
139.07539	0.9
141.06950	1.4
143.04890	1.2
144.05595	1.2
145.06467	5.0
146.03616	2.6
146.07210	1.3
147.04395	3.3
147.08029	2.5
148.05177	1.4
149.05984	15.3
150.06651	0.8
151.03952	5.5
151.07533	100.0
152.01051	2.3
152.06197	4.6
152.07918	2.3
153.01837	4.7
153.06958	2.4
154.02591	2.3
154.07782	1.9
155.03378	1.1
157.01340	1.1
157.06487	16.3
158.07166	1.5
160.05203	1.6
161.05966	17.6
161.09608	3.6
162.06648	1.2
163.00218	1.5
163.03868	1.1
163.07536	26.1
164.07886	1.0
165.01865	6.4
165.06992	16.4
165.09103	3.4
166.02151	2.6
166.07797	5.0
166.99751	2.3
167.07155	1.0
167.08554	21.5
169.01317	2.0
169.06473	3.7
171.08052	1.6
173.05977	1.0
174.06763	9.1
174.99228	1.6
175.07501	5.2
176.08260	1.2
176.98851	2.6
177.05502	2.0
177.07001	3.4
177.09085	5.3
178.07774	8.4
179.08577	2.0
181.01355	4.0
181.06508	7.3
181.10072	1.4
182.02043	2.4
182.07248	5.8
183.02892	1.2
183.08020	2.2
184.03516	0.8
184.08794	1.8
185.00839	1.9
187.07480	1.5
189.09091	35.1
190.09479	1.2
190.99716	2.0
191.08508	1.9
192.05840	1.0
192.09332	2.4
193.06490	9.1
193.08292	1.5
193.10104	9.6
194.07248	4.2
195.08052	29.5
196.05240	1.5
196.08730	2.9
197.04427	8.8
197.06018	6.4
197.09599	1.3
198.01608	1.8
198.06392	1.2
199.07599	1.1
202.07809	2.2
203.08530	3.6
205.06531	1.9
206.07271	2.9
207.08121	1.8
207.10187	3.7
209.00801	2.3
209.05942	5.0
209.09619	4.8
210.06734	12.4
211.02364	15.4
211.07442	5.9
212.08325	6.7
213.05357	1.2
214.06262	1.5
219.08044	1.8
220.08902	1.6
221.06015	12.8
221.09564	13.6
222.06746	2.1
222.10176	1.3
223.07558	13.9
224.08290	5.3
225.05437	2.4
225.09091	12.1
226.09628	1.5
227.01837	1.6
227.07014	3.6
227.10645	32.3
228.10915	1.9
229.08438	0.9
231.08044	1.0
234.06778	1.6
235.07678	1.5
237.05394	1.6
237.09111	3.3
238.06186	8.1
238.09914	2.4
239.06967	3.5
240.07755	4.4
241.04778	1.5
241.08606	2.3
241.12274	1.2
242.05757	1.9
242.09006	1.7
249.09076	6.2
251.07101	0.9
252.07738	2.8
253.08591	14.3
253.12231	18.2
254.09254	1.2
254.12646	1.2
255.06470	1.9
255.10150	28.5
256.10577	1.6
257.11475	1.0
259.13428	1.2
266.09543	1.6
267.10138	5.6
269.04672	5.1
269.08051	6.2
269.11655	1.8
270.05209	18.2
270.08560	3.6
271.05542	1.3
271.09650	2.2
271.13232	1.1
272.10373	4.5
273.03912	1.8
281.11755	4.7
284.10406	2.0
285.04010	2.2
285.11200	21.6
285.14465	1.6
286.11398	1.7
287.05502	11.2
287.12750	38.0
288.13181	2.8
295.06076	1.4
297.03918	2.0
298.04712	12.8
298.12103	1.5
299.05341	2.5
301.14359	1.6
313.07068	2.0
313.14331	11.5
313.17773	1.6
315.04968	10.5
316.05746	15.7
316.09198	2.1
317.06067	1.1
330.26398	1.4
331.08096	88.3
331.11288	3.1
331.15228	4.1
331.19067	2.8
331.26996	2.6
332.08453	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
53.03933	1.5
55.05482	1.1
57.89744	0.9
65.03922	1.6
68.04021	1.0
69.07031	1.3
71.42968	1.3
73.02921	1.0
78.50919	1.0
79.05479	3.9
81.07043	2.7
83.04993	1.6
85.02920	1.5
86.09676	1.3
91.05476	26.7
93.07033	1.2
94.04164	1.5
95.04964	6.2
98.23438	0.9
98.98459	100.0
100.98881	3.0
103.05445	4.2
105.07018	4.3
107.04950	5.9
107.33826	1.0
109.06509	4.1
111.04452	1.8
115.05435	1.8
116.99498	2.4
119.04943	13.6
119.08575	1.3
121.06504	4.2
122.03655	7.0
122.05952	1.0
123.08063	1.2
128.06233	5.1
129.06992	13.8
131.04915	4.3
133.06464	1.8
135.08018	5.1
136.05171	3.3
137.05968	59.0
138.06323	2.0
140.07053	2.1
145.06451	2.8
146.03635	1.5
147.04384	1.8
149.05966	11.5
151.03838	3.1
151.07527	75.7
152.06206	1.6
152.07883	2.6
154.94077	1.2
157.06458	10.8
159.08037	1.6
161.05954	10.0
161.09634	2.3
163.07544	16.3
165.05589	1.7
165.06970	10.4
165.09090	3.5
166.07689	1.8
167.07150	1.7
167.08531	13.2
169.06487	2.2
173.06107	1.2
174.06790	4.7
174.99223	3.2
175.07495	3.4
176.98920	6.1
177.06944	1.3
177.09116	3.8
178.07736	6.1
179.08549	1.6
181.06444	3.6
182.07289	3.6
184.08800	1.6
189.09090	25.3
189.10803	1.5
190.09488	1.4
192.09312	2.0
193.06448	5.3
193.10104	6.1
194.07233	3.2
195.08051	21.7
196.08708	2.1
197.05952	4.2
197.09636	1.4
203.08490	1.7
205.06462	1.2
206.07266	1.9
207.10133	4.5
209.05986	1.3
209.09576	2.1
210.06740	7.4
211.07527	4.0
212.08316	4.7
213.09111	1.5
220.08765	1.1
221.06052	6.7
221.09538	9.0
222.06648	1.0
223.07475	7.4
224.08208	4.0
225.05455	1.3
225.09113	7.7
227.06987	2.3
227.10632	21.8
228.10838	1.3
237.09131	3.0
238.06207	4.5
238.09703	1.6
239.06934	1.8
240.07851	3.0
244.09651	2.3
249.09073	4.0
252.07816	1.8
253.08580	11.3
253.12187	11.7
254.09088	1.2
255.06357	1.1
255.07068	1.1
255.10126	22.5
256.10541	2.8
259.13422	1.2
267.10248	4.1
269.08057	2.9
269.11755	1.6
272.10294	1.7
281.11795	5.4
285.11203	16.3
287.12759	31.2
288.13202	2.6
289.11841	5.1
299.12946	1.4
313.14282	8.5
331.07935	1.3
331.11746	1.9
331.15662	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
64.89434	1.1
65.03936	2.0
67.05508	1.2
69.03419	1.6
79.05484	2.9
81.03419	1.4
81.07047	4.6
85.97594	0.8
88.99348	1.0
91.05476	27.9
93.07040	1.2
94.04176	2.3
95.04951	6.6
95.08621	1.7
98.98466	100.0
100.98869	2.2
103.05448	3.9
105.07014	9.2
107.04337	1.0
107.04931	6.0
107.08587	2.3
108.08109	1.1
109.06528	4.6
109.10181	1.6
111.04461	2.2
115.05470	2.5
116.99512	3.1
117.07050	3.2
118.05013	0.9
119.04931	14.8
119.08581	2.9
121.05737	1.0
121.06473	6.4
122.03651	5.8
123.04417	1.1
128.06212	5.0
129.07005	12.7
131.04942	3.9
131.08563	2.8
133.06503	2.6
133.10117	1.9
135.04381	1.3
135.08047	5.7
136.05183	3.4
137.05972	68.8
138.06282	1.2
143.04936	1.7
145.06485	2.1
145.10172	2.1
146.03609	1.6
147.04456	1.7
149.05986	10.9
149.09625	1.1
151.03929	2.8
151.07536	71.6
152.06207	3.7
152.07903	1.7
155.08598	1.4
157.06477	10.2
157.10132	1.8
158.07127	1.2
159.11723	2.0
161.05969	14.3
161.09616	2.7
163.07524	17.5
165.06985	11.6
165.09064	4.8
166.07782	2.8
167.08545	13.7
169.06462	2.8
169.10092	1.6
171.08026	1.1
173.13248	1.4
174.06781	6.9
174.99245	3.9
175.07552	3.0
176.98845	6.3
177.07024	2.4
177.09111	2.7
178.07736	5.1
179.08574	2.5
179.10593	1.0
181.05043	1.1
181.06442	5.1
182.07274	3.5
183.08035	2.0
187.07623	1.6
187.14786	1.2
189.09125	27.0
191.08585	2.0
191.10648	1.4
192.09319	3.6
193.06467	6.7
193.10172	5.7
194.07292	2.9
195.08038	17.4
196.08865	1.3
197.05962	4.7
197.09612	1.8
199.07458	1.1
202.07744	1.9
203.08614	1.6
206.07275	1.6
207.08176	1.4
207.10150	3.7
208.05234	1.7
209.05763	3.8
209.09612	4.0
210.06715	10.3
210.10117	1.2
210.12021	1.1
211.02394	1.2
211.07550	4.1
212.08249	3.5
213.09058	1.3
217.08936	1.1
221.06003	8.1
221.09570	8.9
223.07530	9.3
224.08298	2.7
225.05466	2.5
225.09062	9.0
227.07028	2.0
227.10651	21.1
228.11053	1.8
234.06761	1.4
237.05334	1.6
237.09070	2.4
238.06207	6.6
238.09796	1.3
239.07004	2.9
240.07793	2.8
241.08548	1.3
241.12169	1.6
249.09012	4.9
252.07811	2.0
253.08604	11.9
253.12209	14.4
254.12817	1.1
255.06326	2.8
255.10167	26.2
255.12891	1.9
256.10706	2.5
266.09540	1.2
267.10117	4.6
267.13297	1.2
269.08051	5.3
269.11407	1.6
270.05222	3.1
270.08572	2.9
271.09647	4.1
272.10373	3.4
281.11728	5.5
285.11160	16.4
285.18539	1.2
286.11679	1.6
287.12756	34.8
287.15988	2.0
288.12979	1.8
298.04810	2.9
299.09076	3.9
299.12396	1.3
301.03433	1.2
301.06610	1.4
301.14197	1.5
313.14359	9.4
316.05627	2.9
316.09106	5.8
320.15094	1.0
331.08054	9.1
331.11594	9.4
331.15497	3.6
331.19077	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Dihydroconiferyl dihydro-p-coumarate
Peak:m/z	Relative Intensity
52.73605	0.8
55.05519	2.3
65.03922	1.0
67.05502	3.0
68.21218	0.8
69.07077	2.1
69.25485	4.5
77.03104	0.8
79.05499	3.1
79.88746	0.8
81.07062	5.2
83.08631	1.0
91.05482	16.4
93.07043	2.5
94.04182	1.0
95.04976	3.4
95.08612	6.8
98.98462	37.1
100.98917	1.2
103.05482	3.6
105.07037	4.6
107.04950	3.8
107.08584	2.7
109.02869	1.6
109.06522	4.9
109.10161	2.5
111.04395	0.8
115.05464	2.3
117.07000	2.3
119.04939	8.1
119.08585	3.6
121.06512	3.5
122.03649	3.7
123.04417	1.6
128.06252	2.5
128.75157	0.8
129.07008	8.3
131.04936	5.9
131.08543	3.7
133.06487	1.0
133.10109	4.7
135.08061	2.9
136.05162	2.2
137.05971	32.0
138.06285	1.1
141.07022	1.3
143.08595	1.4
144.09299	0.9
145.06482	3.8
145.10165	4.6
146.03633	1.0
146.07370	0.8
147.08028	1.0
147.11659	1.7
149.05969	20.9
151.03928	1.7
151.07541	39.5
152.06195	1.6
152.07970	1.4
153.07016	0.8
155.08534	1.7
157.06483	5.8
157.10114	3.3
159.08066	0.9
159.11757	3.9
161.05965	7.1
161.09613	1.9
161.13348	0.9
163.07542	15.5
164.07921	0.8
165.07115	6.4
165.09109	100.0
166.07768	1.6
166.09460	2.4
167.08557	7.8
168.09357	1.1
169.06627	1.1
169.10127	1.9
171.08075	1.5
171.11734	2.9
173.06087	1.5
173.13252	2.9
174.06767	2.4
174.99348	1.2
175.07611	3.3
176.98932	3.3
177.09113	2.5
178.07759	2.6
178.94212	0.9
179.08516	1.7
179.10666	2.1
181.06505	2.4
182.07246	1.9
183.08057	2.5
183.11693	3.2
185.09564	1.5
185.13269	3.3
187.07513	2.9
187.14798	1.8
189.09082	14.8
191.10649	20.7
192.09341	1.7
193.06541	3.4
193.10077	4.0
194.07339	1.3
194.97905	0.9
195.08040	13.4
196.08755	1.8
197.05991	2.5
197.09641	3.5
197.13249	2.0
199.07520	1.3
199.11183	0.9
199.14874	1.2
201.09137	2.7
201.16339	5.0
202.07634	1.3
203.08739	1.4
203.10658	3.6
205.12245	16.0
206.07166	1.0
207.08286	0.9
207.10159	2.6
209.05963	1.1
209.09601	2.7
210.06769	3.7
211.07570	1.9
211.11186	3.7
211.14854	1.6
212.08272	1.5
213.09036	1.2
213.12730	0.9
214.09845	1.0
215.10782	2.8
217.12239	3.8
220.08838	1.3
221.06000	3.4
221.09642	3.4
223.07607	5.4
223.11218	1.5
224.08147	1.7
225.09084	5.1
225.12643	6.6
225.16296	1.9
227.07083	1.3
227.10645	14.3
228.11127	1.1
229.12227	4.0
234.06857	1.0
238.06181	2.9
238.10040	1.1
239.06927	1.0
239.14244	1.2
239.17921	3.4
240.07787	1.3
241.12219	1.8
241.19563	2.2
242.12946	2.0
243.13791	7.2
249.09149	1.7
249.16208	1.2
253.08551	4.8
253.12248	6.8
255.10175	14.0
257.11697	0.9
267.10162	2.2
267.17377	9.9
269.08044	2.8
269.11569	1.3
271.13333	1.5
271.16971	1.5
272.10394	2.0
281.11691	2.4
285.11359	9.7
285.18469	54.4
286.18790	2.3
287.12772	18.5
288.13358	1.2
295.17038	5.5
313.14343	4.1
313.17981	13.2
314.18417	1.0
331.11880	1.4
331.15332	1.9
331.18793	15.8
332.19391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1876
Annotation	Carnosol
Peak:m/z	Relative Intensity
69.09389	5.6
85.12649	0.7
97.19409	0.7
98.98466	7.3
108.02064	1.0
133.06566	0.8
136.70607	0.9
176.99133	0.9
268.07376	1.8
270.07855	6.0
298.07318	6.0
311.24713	0.9
315.07983	0.8
316.08255	1.7
331.10834	16.5
331.18762	100.0
332.19153	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Carnosol
Peak:m/z	Relative Intensity
69.13062	0.6
69.19572	3.7
81.42584	0.5
93.07101	0.6
97.65779	0.6
98.23492	1.2
98.97823	1.3
98.98458	20.3
105.07038	0.8
116.99489	0.7
139.28842	0.6
173.09018	0.6
176.98962	1.5
234.62581	0.6
283.22876	0.6
295.17010	0.9
313.17761	2.0
316.05710	1.5
331.08270	3.8
331.18765	100.0
332.19110	5.4
348.72882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1899
Annotation	Gibberellin A15
Peak:m/z	Relative Intensity
50.05124	0.6
52.20304	0.6
55.05526	3.9
56.05837	1.4
56.64256	0.7
57.03426	2.4
58.03782	1.1
58.06591	0.9
59.03836	0.7
60.05312	0.8
65.03927	0.8
65.44994	0.7
67.05499	10.9
68.05837	6.4
69.06159	1.0
69.07067	1.1
69.09809	0.7
69.84768	1.3
70.06588	4.5
71.06917	1.7
72.04499	1.2
72.08154	9.7
73.08479	5.6
79.05489	10.7
80.05827	7.1
81.06161	1.9
81.07047	6.0
82.07381	2.1
83.04990	6.0
83.08622	1.0
84.05335	3.4
84.08142	1.3
85.05422	1.2
85.08474	0.8
86.20419	0.7
91.05478	2.4
93.07021	0.8
95.04960	1.7
95.08603	5.4
98.98467	16.8
100.07617	20.3
101.07292	1.3
101.07937	13.6
102.08041	5.2
103.05440	3.3
103.08393	1.2
104.15967	0.7
105.07015	1.7
107.08587	8.5
108.08925	8.8
109.02885	1.1
109.06505	2.1
109.09264	2.1
110.09669	2.6
111.09990	2.1
115.05432	1.2
117.07001	1.4
121.10123	0.6
123.04423	2.0
124.11229	9.0
125.09630	16.2
125.10561	1.4
125.11577	9.2
126.09966	20.2
126.11900	2.4
127.10238	9.3
127.12287	1.1
128.10454	2.8
129.07063	1.1
131.04927	7.2
131.25862	0.7
132.05190	0.8
132.47615	0.7
133.10126	1.3
137.02460	0.7
137.05923	1.0
141.06973	0.9
143.08527	1.4
145.06476	2.7
147.04404	1.3
149.04851	1.3
149.05975	16.4
150.29189	0.7
151.03926	1.0
152.10669	0.7
153.10985	0.8
154.11363	0.8
155.07076	0.7
157.06514	0.9
157.10062	0.8
161.06013	1.7
163.03889	1.2
163.07523	7.6
165.01848	1.1
165.09109	100.0
166.09428	2.1
169.04825	0.6
169.10086	0.8
173.06009	1.6
175.07539	1.1
176.98892	1.2
177.05469	3.1
179.07025	1.2
179.08505	0.9
179.10593	1.3
181.04947	1.4
183.08032	1.5
183.11684	2.0
185.09557	1.1
187.07555	3.5
187.14461	0.8
188.14763	1.5
189.14934	1.9
190.15263	1.2
191.06966	1.2
191.10649	20.9
193.04987	1.9
195.08046	1.1
196.17049	0.7
197.09709	2.1
197.13303	1.4
197.17166	1.0
198.17520	1.3
199.02385	1.2
199.11205	1.1
201.09096	1.7
203.10732	3.4
204.17047	1.8
205.12230	15.8
205.17377	2.5
206.17609	3.1
207.17902	1.4
209.09612	1.1
210.10294	0.9
211.02394	2.2
211.05994	1.5
211.11180	2.6
213.09175	0.8
215.10632	2.6
217.12221	2.5
223.11086	0.9
225.12762	5.7
225.16661	1.0
226.17076	1.3
227.10638	1.5
228.07626	0.7
229.12234	3.7
235.06000	1.4
239.17928	1.1
242.12918	1.8
243.10193	0.9
243.13774	7.4
247.06125	1.4
255.10312	1.0
257.20544	1.9
258.20743	3.0
259.05984	1.0
259.21149	1.6
267.17435	5.8
270.12579	1.2
271.13351	1.5
283.13358	1.9
285.18478	47.1
286.18790	2.5
289.14240	0.9
295.16763	0.9
298.15588	2.4
312.25165	1.5
313.17972	14.2
313.25586	2.9
314.18411	1.0
330.26578	10.5
331.11658	0.8
331.19037	13.7
331.26801	19.4
353.62729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.19
Annotation	Cynajapogenin A
Peak:m/z	Relative Intensity
51.02370	1.6
52.40392	1.5
53.03939	3.8
55.01852	1.8
55.05508	5.0
57.03431	20.4
57.07067	3.2
59.05004	2.1
65.03934	4.5
67.05500	29.4
69.03432	2.3
69.07070	13.9
69.37553	6.2
69.37988	3.2
69.75627	1.7
71.04993	3.1
79.05486	7.0
81.03408	80.2
81.07061	13.7
82.03748	2.8
83.04974	3.8
83.08640	2.1
91.05478	9.6
93.07037	10.3
95.04958	100.0
95.08585	11.9
97.06532	9.4
98.98457	71.0
99.04441	4.0
105.07017	11.8
107.04915	10.1
107.08587	17.8
108.45354	1.9
109.06512	20.4
109.10141	34.7
110.10516	2.0
111.04430	1.9
111.08098	6.7
115.35956	1.8
116.99493	2.4
117.07009	4.5
119.08562	14.6
121.06491	7.5
121.10135	9.7
123.04402	14.8
123.08012	13.6
123.11687	6.7
125.05956	2.4
125.09617	7.6
128.06169	1.9
129.06995	4.6
131.08569	9.4
133.06479	3.4
133.10132	12.2
135.08034	9.4
135.11699	11.8
137.09604	6.2
139.07533	6.2
141.05446	3.0
142.07770	3.8
143.08514	7.2
145.06459	6.8
145.10132	14.2
147.08032	4.7
147.11684	4.0
149.05922	2.5
149.09601	7.1
149.13254	2.9
151.07532	3.8
151.11165	34.1
155.08553	3.7
156.09296	2.4
157.10129	7.9
158.10886	4.0
159.08052	5.4
159.11681	6.8
161.09578	9.7
163.07576	2.0
163.11189	5.8
163.14798	4.0
165.71732	1.8
167.08693	2.0
167.14339	4.0
168.09270	2.3
169.10109	3.3
171.11725	6.0
173.09598	4.9
173.13242	16.0
175.11188	6.1
176.11969	3.3
176.98962	4.9
177.12717	3.6
179.10658	28.9
180.10927	2.2
183.08023	2.4
183.11668	3.8
185.09636	2.8
185.13248	5.2
187.11217	4.8
187.14833	3.6
189.09129	3.5
189.12721	2.1
191.10641	3.2
191.14279	50.5
192.14691	2.1
193.10071	2.3
193.12189	2.4
194.63051	1.7
195.11713	2.1
197.09515	2.4
199.11143	5.9
199.14832	2.0
201.12714	3.2
203.14357	2.5
205.12248	7.8
209.09689	2.4
209.15327	49.8
209.17203	3.2
210.15685	2.9
211.11179	4.0
211.14729	2.6
213.12549	2.0
215.14276	2.4
217.12219	4.5
219.13721	3.8
225.12752	1.9
229.12280	2.9
231.13660	2.7
233.11761	5.4
234.27765	1.7
237.12866	1.9
239.14276	5.0
255.13672	1.9
257.11633	2.0
257.15326	5.4
267.17224	3.8
270.05124	4.5
271.16873	2.8
285.18530	5.1
295.16898	7.5
313.17941	20.7
316.05649	6.9
331.08112	12.7
331.18964	53.4
332.19180	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1903
Annotation	Tricalysiolide E
Peak:m/z	Relative Intensity
52.70586	2.1
53.03936	8.2
55.01872	4.1
55.05511	14.0
57.03429	3.2
59.04997	3.4
62.27707	2.0
64.42247	2.1
65.03944	4.8
67.05502	30.0
67.31161	2.0
69.03420	6.9
69.07053	12.3
77.03919	3.5
79.05493	33.1
81.03415	88.3
81.07056	37.4
83.04987	11.5
83.08628	5.4
85.02883	3.3
85.06543	4.0
91.05472	41.2
93.03456	2.4
93.07044	46.3
95.04952	12.5
95.08608	37.4
97.02859	4.8
97.06522	8.1
98.98463	24.7
99.04442	13.6
103.05473	3.0
105.04540	3.5
105.06351	3.8
105.07030	54.2
107.04916	5.5
107.08590	43.6
107.80461	2.4
109.02882	16.3
109.06503	16.4
109.10170	16.7
111.04445	34.8
111.08072	5.7
115.05406	4.2
116.54934	2.2
117.07015	15.6
119.04958	4.8
119.06105	2.8
119.08575	63.1
121.06471	12.3
121.10136	31.7
123.08063	18.1
123.11697	5.5
125.05984	24.0
125.09621	2.5
125.54996	2.3
127.03908	32.8
128.06252	9.3
129.06995	16.6
131.08575	32.7
133.06497	7.8
133.10118	37.7
135.08076	17.0
135.11670	7.8
137.06018	6.1
137.09625	6.8
139.07523	7.5
141.07008	9.6
142.07785	16.1
143.08557	33.0
143.26532	2.6
144.09305	4.3
145.06476	5.8
145.10115	47.1
146.07262	2.7
147.08049	11.4
147.11674	13.4
149.05997	4.2
149.09599	19.0
149.13232	4.6
151.07530	6.9
151.11150	3.5
153.07008	4.3
153.09109	2.4
154.07782	3.3
155.08549	21.3
156.09329	12.9
157.03819	2.3
157.10123	38.8
158.10835	7.4
159.08031	11.6
159.11691	22.0
161.09621	14.2
161.13249	9.8
163.07559	7.4
163.11185	5.1
165.07039	4.4
165.09116	6.3
167.07155	2.4
167.08536	6.1
168.09349	5.6
169.10120	33.0
170.10756	3.8
171.08038	5.8
171.11720	23.0
172.12343	3.2
173.09605	14.1
173.13234	22.8
175.07530	5.1
175.11160	12.3
175.14790	4.7
177.09142	6.7
177.12737	3.0
177.16385	4.9
179.08554	7.2
180.09299	4.6
181.10132	10.0
182.10820	5.1
183.08078	6.5
183.11642	29.6
184.08711	2.9
185.09567	9.2
185.13252	16.7
187.07509	4.4
187.11232	7.9
187.14822	26.3
189.09135	9.4
189.12712	4.5
191.10703	4.7
191.14296	8.3
193.10191	12.3
193.11871	2.8
194.10852	6.2
195.11699	11.4
196.08853	2.7
196.12488	8.1
197.09644	7.7
197.13277	17.2
198.13954	4.5
199.11200	8.2
199.14835	5.7
201.09126	6.3
201.12608	4.4
203.10701	7.6
203.14351	9.7
205.15883	28.8
207.11743	7.0
209.13177	12.8
210.13867	3.8
211.11234	10.7
211.14758	17.0
213.09105	2.5
213.12592	2.6
215.10701	10.9
215.14223	12.0
215.17868	3.2
216.14984	4.6
217.12218	6.6
219.11676	4.2
219.13785	3.8
220.12479	3.7
223.11234	3.0
223.14813	4.7
225.12744	6.3
225.16426	15.7
227.14252	5.1
229.12204	7.1
229.15955	6.1
231.10236	6.2
233.15395	3.7
234.14119	4.3
235.14845	7.2
238.13377	2.5
239.14302	3.3
239.17923	5.4
241.12192	4.6
243.13895	4.8
243.17406	4.8
249.16302	15.0
253.15822	23.8
255.13802	7.6
257.11826	4.8
257.15335	3.7
267.17407	19.6
269.15240	4.1
269.19189	4.1
271.13840	4.2
271.16925	44.4
285.18527	23.2
289.17963	7.7
295.16882	31.6
313.17947	62.7
313.21417	3.7
314.18362	4.4
331.19022	100.0
332.19412	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	331.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01867	1.6
55.05516	7.8
57.07078	3.4
62.70900	1.2
67.05504	14.0
69.03423	3.4
69.07072	9.4
69.29530	2.3
69.29928	4.0
71.04972	1.2
79.05478	10.1
80.40089	1.2
81.03428	1.3
81.07051	24.2
83.04957	3.2
83.08610	3.8
91.05474	12.9
93.07049	9.6
94.43792	1.1
94.80910	1.1
95.04953	5.8
95.08604	26.3
97.06522	1.4
98.98463	52.8
100.11250	1.8
100.98880	1.3
105.07019	17.6
107.04951	4.0
107.08591	14.5
109.06513	4.9
109.10166	12.2
111.04438	2.4
111.08066	1.5
112.26704	1.2
117.07008	4.6
119.04906	2.6
119.08578	34.2
119.38820	1.0
121.06509	8.0
121.10146	5.6
123.08064	5.7
123.11716	9.9
125.02358	2.1
125.05999	1.8
127.03922	1.6
128.06200	2.2
129.07004	5.3
131.08572	11.4
133.06499	2.8
133.10136	16.6
135.04405	2.0
135.08031	6.3
135.11684	1.7
137.05974	6.9
137.09616	7.4
139.95477	1.2
141.06914	1.9
142.07834	3.1
143.08554	7.6
144.09366	2.1
145.06506	2.0
145.10112	16.2
147.08095	1.6
147.11687	6.5
148.22890	1.1
149.05966	3.0
149.09605	3.4
151.07574	7.5
151.11171	6.6
153.07051	1.1
155.07060	1.0
155.08580	3.9
156.09363	3.4
157.06377	1.3
157.10115	11.6
158.10893	1.2
159.08119	1.6
159.11690	27.3
161.05984	2.0
161.09628	2.5
161.13237	4.6
163.07527	3.4
163.11169	6.4
165.09094	1.2
169.10127	12.6
170.10966	3.6
171.08115	1.9
171.11693	13.0
172.12454	1.4
172.83105	1.4
173.05963	1.9
173.09570	2.3
173.13252	10.1
174.99216	1.7
175.14825	1.5
176.98946	3.9
177.09094	3.3
177.12778	1.6
178.13498	4.2
179.06976	3.2
179.08463	1.5
180.09364	1.3
181.10106	3.0
182.10965	1.3
182.15497	1.5
183.08026	1.6
183.11702	12.2
184.12306	1.3
185.09657	2.0
185.13269	12.9
187.07587	2.9
187.11176	2.8
187.14729	7.3
188.15422	2.1
189.09082	2.1
189.16333	1.1
191.10689	1.6
191.14326	4.8
193.10130	3.5
195.11707	2.6
196.12248	1.6
197.09628	4.3
197.13205	7.9
199.07558	2.5
199.14807	2.2
201.09157	3.3
201.12782	1.9
201.16385	16.7
203.10564	2.9
206.16667	3.6
207.11742	1.9
209.13184	1.6
210.13977	1.6
211.11176	5.0
211.14857	3.7
213.09047	2.6
213.16397	1.8
215.10669	5.3
217.12257	1.5
220.12460	2.3
221.13239	1.7
223.14883	2.1
225.09183	3.0
225.12830	2.3
225.16385	7.0
227.10709	3.4
227.14371	2.2
229.12268	2.8
231.10078	1.2
233.11664	1.3
235.14841	4.1
239.10626	2.9
239.17947	8.0
241.19568	4.0
243.10287	3.0
243.13809	2.7
245.11717	1.1
249.11050	2.6
249.16414	4.1
253.12251	4.3
253.15808	3.8
255.10023	1.6
257.11755	3.4
257.19009	2.8
261.11401	1.3
267.17441	9.9
270.05280	1.2
271.13617	1.2
271.16922	2.8
275.12781	11.6
277.15857	3.4
285.18463	19.5
286.18777	2.0
287.12817	1.3
289.18054	4.0
295.16925	21.4
303.19427	3.1
313.17944	25.2
331.08154	5.3
331.19019	100.0
332.19394	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1903
Annotation	Blumiolide C
Peak:m/z	Relative Intensity
53.03935	3.9
55.05501	9.1
57.07043	3.0
65.03934	6.9
67.05501	29.7
67.08340	2.3
67.22615	2.8
69.03419	6.0
69.07064	11.1
71.05002	2.8
77.03921	3.8
79.05483	26.2
81.03416	37.0
81.07058	32.3
82.04364	2.3
82.55873	2.2
83.04972	9.2
85.02882	5.7
85.06516	3.2
87.04483	2.4
91.05476	46.5
93.07044	55.4
95.04958	11.6
95.08604	32.1
95.17589	2.1
97.02882	4.4
97.06551	6.3
97.99011	2.2
98.23438	4.9
98.98467	38.1
99.04462	4.3
103.05447	4.0
105.04500	2.4
105.07030	55.6
107.04922	3.6
107.08582	41.2
109.02867	9.9
109.06495	16.1
109.10136	15.7
111.04444	41.6
111.08065	4.4
113.06004	3.2
115.05472	3.1
117.07015	18.2
119.04928	6.4
119.08577	71.2
121.06496	14.0
121.10138	28.3
123.08071	14.9
123.11729	4.0
125.05993	18.9
125.09628	4.5
127.03902	24.7
128.06161	7.2
129.07004	10.3
131.04926	3.1
131.08563	36.8
133.06494	3.9
133.10109	36.0
135.08064	16.2
135.11670	6.6
137.05978	9.8
137.09595	5.6
139.03838	2.9
139.07578	4.0
141.06973	5.9
142.07774	12.6
143.08565	22.2
144.09323	4.3
145.06485	5.8
145.10121	40.1
146.07228	3.5
147.08055	7.9
147.11694	16.9
149.09631	20.5
149.13258	3.6
151.07542	6.1
151.11192	2.6
153.05513	3.2
155.08575	12.1
156.09340	6.1
157.10130	34.3
158.10728	3.8
159.08057	7.5
159.11688	27.9
161.09665	12.6
161.10881	2.0
161.13258	6.8
163.07513	6.1
165.07007	3.5
165.09145	6.6
167.08524	5.6
168.09291	2.7
169.10129	16.3
170.10861	4.2
171.08057	2.9
171.11726	15.4
172.12285	3.7
173.09624	6.9
173.13257	14.4
175.07565	3.6
175.11169	10.5
175.14789	3.5
176.11827	3.0
176.99020	2.6
177.09055	4.7
177.12781	3.5
179.08496	5.5
180.09395	2.7
181.10120	7.8
182.10902	4.5
183.11685	16.3
185.09608	8.1
185.13251	8.4
187.11214	3.2
187.14827	19.7
189.09181	6.8
189.12709	3.6
191.14253	3.2
192.09398	3.7
193.10184	5.0
194.10773	3.0
195.11720	7.9
196.12450	4.4
197.09631	7.3
197.13283	15.2
198.13914	2.7
199.11124	5.0
199.14801	6.8
201.09032	3.2
201.12814	5.2
201.16423	3.2
203.10625	3.3
203.14311	5.7
205.15834	10.3
207.11734	4.6
209.13264	9.7
211.11214	6.6
211.14810	9.4
213.09212	3.4
213.12808	3.5
215.10663	5.7
215.14284	5.4
223.14757	5.5
225.12787	4.2
225.16342	14.0
229.12227	4.4
229.15927	3.5
235.14621	4.6
239.14285	3.6
239.17926	5.0
243.13765	4.0
243.17470	4.9
245.15471	4.0
249.16386	6.0
253.15865	9.7
255.13715	3.4
257.11902	2.9
257.15405	3.5
267.17422	8.2
269.96991	2.9
270.07684	2.6
271.16891	15.6
285.18536	6.4
289.17975	4.9
295.16913	13.6
298.07440	2.9
305.04767	2.5
313.17923	29.8
330.33557	3.7
331.07697	4.6
331.11011	4.4
331.18982	100.0
332.19485	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1902
Annotation	Gutierrezial
Peak:m/z	Relative Intensity
51.02376	0.5
53.03924	0.5
55.01867	1.2
55.05498	1.9
57.03431	0.7
64.04411	0.5
65.03933	0.8
65.32916	0.4
66.27779	0.5
67.01864	0.5
67.05498	3.6
69.03412	1.1
69.07055	0.9
69.84353	0.5
70.46427	0.9
72.08134	0.9
77.03950	0.5
78.08418	0.5
78.71752	0.4
79.05495	5.3
80.29713	0.4
81.07054	4.1
83.08617	0.5
91.05477	7.0
93.07047	4.1
95.04945	2.2
95.08604	3.3
97.06531	6.1
97.10197	0.4
98.98463	6.4
99.08108	3.4
103.05464	4.5
104.05768	1.4
105.03365	0.5
105.04498	0.7
105.07018	1.9
107.04948	6.6
107.08582	3.0
109.06445	0.5
109.10164	3.7
111.08068	0.7
115.05451	3.3
116.06249	1.1
116.53328	0.5
117.07027	5.5
119.04932	1.0
119.08558	1.8
121.06475	2.6
121.10144	1.8
122.03635	0.7
123.04422	1.4
123.08055	1.2
125.09632	1.7
126.10014	0.6
126.70184	0.5
128.06262	1.2
129.06990	3.3
131.04922	7.9
131.08569	3.6
132.05260	5.6
133.06537	0.5
133.10118	0.6
135.04413	9.4
135.08063	1.7
135.11699	0.7
137.02330	1.8
137.05954	5.0
138.02666	1.1
141.06984	1.0
142.07790	2.1
143.08559	2.0
145.02896	0.6
145.06480	5.9
145.10175	0.6
147.08055	0.6
148.05194	0.8
149.05986	3.3
149.09604	1.2
151.07536	21.9
152.06238	0.5
153.05458	9.2
154.07712	1.3
155.08499	1.3
157.06470	1.6
157.10121	4.0
158.07272	0.5
159.08078	3.3
161.05968	4.2
162.06711	1.2
163.07535	100.0
164.07892	2.1
165.01826	1.3
165.06973	0.5
165.09097	2.3
166.02139	1.0
167.07039	0.9
167.08510	1.2
169.06447	0.8
169.10068	2.4
170.07196	0.6
171.08038	1.7
173.05948	0.8
173.09602	1.0
174.06758	1.6
175.07533	4.0
177.05467	1.3
177.09100	27.1
178.07742	0.5
178.09346	1.0
179.06970	0.5
179.08501	0.6
179.10649	1.1
181.08629	4.1
182.07266	0.8
185.09631	3.6
187.07539	1.8
188.08371	0.9
189.09088	5.3
191.07048	1.3
191.10672	1.9
195.08096	1.4
196.08708	0.8
197.09589	2.4
199.07620	0.7
199.11140	0.9
201.09094	1.0
203.10666	20.5
205.08644	1.0
205.12244	0.9
207.10124	1.0
209.09659	0.7
210.06801	0.5
211.11108	1.9
212.08096	0.5
213.09119	0.5
215.10660	8.1
217.12201	1.6
221.11708	25.4
223.07561	0.9
225.09038	0.6
227.10681	3.8
229.12245	1.8
231.10106	1.1
231.13835	0.5
233.11740	5.1
235.13335	0.8
239.10654	1.1
242.09038	1.1
243.13731	0.7
245.11784	2.6
252.07336	0.7
253.12279	1.7
255.10181	1.6
263.12793	1.2
267.17371	1.2
269.15192	0.7
270.05215	0.8
271.16867	0.9
285.11673	0.9
285.15079	1.1
285.18442	9.2
287.12738	2.4
295.16879	2.9
303.15854	3.1
303.19540	7.3
313.14426	0.8
313.17932	13.5
314.18298	1.0
316.05673	1.0
331.08212	3.4
331.19012	49.1
332.19397	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	331.1902
Annotation	Heteroplexisolide A
Peak:m/z	Relative Intensity
55.05505	2.1
55.49368	0.8
67.05495	2.7
69.07145	5.9
79.05502	2.3
81.07047	5.0
91.05476	13.9
93.07024	1.7
94.04192	1.2
95.04958	2.6
95.08595	7.9
98.98458	34.1
100.98885	1.4
103.05444	4.2
105.07013	4.2
107.04948	2.9
107.08580	2.6
109.06487	2.8
109.10167	1.0
115.05439	2.1
117.07018	3.4
119.04929	8.6
119.08556	4.6
121.02836	1.2
121.06490	2.7
122.03638	2.8
122.06985	0.9
123.04432	2.3
123.08098	1.5
125.05991	1.2
128.06219	2.8
129.07030	6.3
131.04906	6.9
131.08572	1.6
133.06555	0.9
133.10091	3.9
135.08057	2.2
136.05174	2.1
137.05962	32.3
138.06277	1.3
143.08553	1.1
145.06433	4.0
145.10136	3.2
147.04414	1.6
147.11636	2.0
148.05048	1.0
149.05963	20.8
151.03932	1.3
151.07532	36.4
152.06134	1.4
152.07883	0.9
155.08485	1.3
156.09218	0.8
157.06502	4.8
157.10112	2.9
158.10857	0.8
159.11665	4.5
161.06004	5.3
161.09602	1.6
162.06731	1.8
163.07509	14.9
165.07141	4.4
165.09102	100.0
166.07782	1.5
166.09464	2.1
167.08542	5.9
168.09212	1.1
169.10173	1.8
171.08115	1.6
171.11670	2.4
173.06035	1.2
173.13257	2.4
174.06749	2.3
174.99188	1.5
175.07561	3.6
176.98898	3.1
177.06972	1.0
177.09140	1.8
178.07751	2.1
179.08556	2.2
179.10696	2.6
181.06418	1.7
181.10129	1.0
182.07224	1.8
183.07999	2.9
183.11653	4.5
185.13220	4.1
187.07526	3.3
189.09091	13.5
191.10664	18.3
192.09369	1.1
192.10976	1.4
192.26305	1.1
193.06465	1.8
193.10112	3.3
195.08035	10.7
196.08736	1.9
197.06041	1.4
197.09666	2.1
197.13190	3.2
199.11259	1.1
201.09042	2.0
201.16383	5.4
203.08623	0.8
203.10707	2.9
205.12222	13.6
207.08176	1.0
207.10065	2.2
209.09566	2.3
210.06728	4.3
211.07578	1.4
211.11209	2.2
211.14719	1.4
212.08369	2.1
213.09081	0.9
215.10638	3.5
217.12265	2.5
220.12540	1.0
221.05995	3.6
221.09492	4.0
223.07536	3.6
224.08173	2.3
225.09111	3.1
225.12674	5.0
225.16362	1.2
227.07069	1.5
227.10675	12.8
229.12184	5.0
237.09079	1.4
238.06264	2.5
239.14317	1.1
239.17924	2.8
240.07841	1.1
241.19522	1.6
242.13055	1.9
243.13757	7.2
249.09138	2.3
249.16371	2.1
253.08652	6.1
253.12260	7.4
255.10135	13.7
267.10034	1.5
267.17340	9.6
269.08105	1.8
269.11282	1.0
271.13403	1.7
271.16861	2.0
281.11771	2.6
285.11444	7.7
285.18466	45.4
286.18744	2.6
287.12723	14.4
295.16974	4.0
313.14325	5.0
313.17972	12.1
331.15286	2.2
331.18799	14.7
332.25723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1902
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
53.03941	2.0
55.01867	1.6
55.05516	7.8
57.07078	3.4
62.70900	1.2
67.05504	14.0
69.03423	3.4
69.07072	9.4
69.29530	2.3
69.29928	4.0
71.04972	1.2
79.05478	10.1
80.40089	1.2
81.03428	1.3
81.07051	24.2
83.04957	3.2
83.08610	3.8
91.05474	12.9
93.07049	9.6
94.43792	1.1
94.80910	1.1
95.04953	5.8
95.08604	26.3
97.06522	1.4
98.98463	52.8
100.11250	1.8
100.98880	1.3
105.07019	17.6
107.04951	4.0
107.08591	14.5
109.06513	4.9
109.10166	12.2
111.04438	2.4
111.08066	1.5
112.26704	1.2
117.07008	4.6
119.04906	2.6
119.08578	34.2
119.38820	1.0
121.06509	8.0
121.10146	5.6
123.08064	5.7
123.11716	9.9
125.02358	2.1
125.05999	1.8
127.03922	1.6
128.06200	2.2
129.07004	5.3
131.08572	11.4
133.06499	2.8
133.10136	16.6
135.04405	2.0
135.08031	6.3
135.11684	1.7
137.05974	6.9
137.09616	7.4
139.95477	1.2
141.06914	1.9
142.07834	3.1
143.08554	7.6
144.09366	2.1
145.06506	2.0
145.10112	16.2
147.08095	1.6
147.11687	6.5
148.22890	1.1
149.05966	3.0
149.09605	3.4
151.07574	7.5
151.11171	6.6
153.07051	1.1
155.07060	1.0
155.08580	3.9
156.09363	3.4
157.06377	1.3
157.10115	11.6
158.10893	1.2
159.08119	1.6
159.11690	27.3
161.05984	2.0
161.09628	2.5
161.13237	4.6
163.07527	3.4
163.11169	6.4
165.09094	1.2
169.10127	12.6
170.10966	3.6
171.08115	1.9
171.11693	13.0
172.12454	1.4
172.83105	1.4
173.05963	1.9
173.09570	2.3
173.13252	10.1
174.99216	1.7
175.14825	1.5
176.98946	3.9
177.09094	3.3
177.12778	1.6
178.13498	4.2
179.06976	3.2
179.08463	1.5
180.09364	1.3
181.10106	3.0
182.10965	1.3
182.15497	1.5
183.08026	1.6
183.11702	12.2
184.12306	1.3
185.09657	2.0
185.13269	12.9
187.07587	2.9
187.11176	2.8
187.14729	7.3
188.15422	2.1
189.09082	2.1
189.16333	1.1
191.10689	1.6
191.14326	4.8
193.10130	3.5
195.11707	2.6
196.12248	1.6
197.09628	4.3
197.13205	7.9
199.07558	2.5
199.14807	2.2
201.09157	3.3
201.12782	1.9
201.16385	16.7
203.10564	2.9
206.16667	3.6
207.11742	1.9
209.13184	1.6
210.13977	1.6
211.11176	5.0
211.14857	3.7
213.09047	2.6
213.16397	1.8
215.10669	5.3
217.12257	1.5
220.12460	2.3
221.13239	1.7
223.14883	2.1
225.09183	3.0
225.12830	2.3
225.16385	7.0
227.10709	3.4
227.14371	2.2
229.12268	2.8
231.10078	1.2
233.11664	1.3
235.14841	4.1
239.10626	2.9
239.17947	8.0
241.19568	4.0
243.10287	3.0
243.13809	2.7
245.11717	1.1
249.11050	2.6
249.16414	4.1
253.12251	4.3
253.15808	3.8
255.10023	1.6
257.11755	3.4
257.19009	2.8
261.11401	1.3
267.17441	9.9
270.05280	1.2
271.13617	1.2
271.16922	2.8
275.12781	11.6
277.15857	3.4
285.18463	19.5
286.18777	2.0
287.12817	1.3
289.18054	4.0
295.16925	21.4
303.19427	3.1
313.17944	25.2
331.08154	5.3
331.19019	100.0
332.19394	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1903
Annotation	Sarcostolide A
Peak:m/z	Relative Intensity
50.28899	1.5
52.88121	1.3
54.62197	1.5
55.05513	9.9
57.03408	1.6
57.07051	2.8
59.04757	1.7
67.05513	14.4
69.03416	2.7
69.07066	10.0
69.07387	1.6
76.36044	1.3
79.05479	10.2
81.06630	2.0
81.07059	25.2
83.04968	3.4
83.08628	3.1
91.05473	16.0
93.07044	18.2
95.04950	6.3
95.08021	2.7
95.08604	40.9
98.24688	1.7
98.98471	85.4
100.11227	1.7
105.06471	2.0
105.07042	23.8
107.04884	3.6
107.08044	1.4
107.08597	14.7
108.69755	1.7
109.06483	7.1
109.10150	13.5
111.08058	2.0
117.06994	7.5
119.04874	1.9
119.08574	42.6
121.06512	11.7
121.10117	7.3
123.08046	5.8
123.11673	9.8
125.02328	2.1
129.06984	4.6
130.07680	2.6
131.08575	13.2
132.09419	1.9
133.06400	2.1
133.10120	22.9
135.04364	2.4
135.08018	7.5
135.11598	3.3
137.05945	5.5
137.09602	5.5
141.07031	3.1
142.07759	5.8
143.08598	8.2
144.09311	3.6
145.10118	25.6
147.08000	2.4
147.11697	12.4
151.07501	6.8
151.11168	6.9
153.05466	2.6
153.06999	2.1
154.07802	1.9
155.08554	4.9
156.09306	5.3
157.10152	15.0
158.10861	3.6
159.07993	3.4
159.11693	35.6
160.12390	2.3
161.05951	4.5
161.09570	3.1
161.13239	7.0
163.07521	5.0
163.11151	4.8
167.08533	3.7
169.10121	10.4
170.10832	5.0
171.11694	19.9
172.12343	2.9
173.09558	2.0
173.13263	16.2
174.99232	2.9
175.07475	2.5
175.14717	1.8
176.59126	1.9
176.98878	3.5
177.05498	2.6
177.09076	7.1
178.13515	2.2
179.06981	4.6
181.10066	2.6
182.07404	2.3
182.10811	3.1
183.11694	15.9
185.09566	3.1
185.13257	14.9
186.13939	3.4
187.07491	4.2
187.11041	1.7
187.14796	11.5
188.15482	2.7
189.09044	4.9
191.14322	3.6
193.10025	2.1
195.11621	3.1
196.12477	2.5
197.09584	4.7
197.11499	1.5
197.13232	9.3
199.11113	2.6
199.14856	5.0
201.09192	2.7
201.16377	27.2
202.17096	3.7
203.10608	6.0
207.11621	2.2
209.13266	2.7
210.13942	2.8
211.11107	4.2
211.14787	4.6
213.09033	3.9
213.16409	2.2
215.10651	8.3
217.12189	3.2
219.09897	2.0
220.12354	2.8
223.14799	2.7
225.09108	3.8
225.12810	2.5
225.16411	15.8
227.10532	2.9
229.12111	4.4
235.14775	4.0
239.10672	3.6
239.17955	12.6
241.19395	6.8
243.10236	3.9
243.13716	2.2
249.11122	3.2
249.16417	7.9
253.12207	3.6
253.15927	4.2
257.11667	2.4
267.17404	16.0
271.13702	1.6
273.14542	2.1
275.12726	13.2
280.14655	2.7
285.18506	30.7
287.20078	2.1
289.17990	3.1
295.16916	23.5
301.03271	5.2
303.19708	2.7
313.17947	30.4
316.05591	3.6
331.08020	7.0
331.18939	100.0
332.19257	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1901
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
53.00278	0.9
55.05477	2.2
67.05498	3.9
69.03394	2.2
69.07041	1.5
69.10774	4.1
79.05453	2.8
81.03391	1.9
81.07016	2.6
83.08620	1.0
91.05461	3.8
93.07011	2.4
95.04960	1.5
95.08601	12.4
96.93613	0.8
98.97851	1.6
98.98460	31.6
100.98875	0.8
103.05424	2.2
105.06996	3.3
107.04917	1.7
107.08544	2.3
108.02048	1.8
109.06474	1.9
109.10146	5.8
111.07325	1.4
111.08067	20.2
115.05434	1.3
117.06972	1.3
119.08576	32.9
121.10124	8.8
123.04347	1.0
129.06934	2.8
130.07765	0.9
131.08543	1.6
133.06488	6.3
133.10075	3.4
134.03552	1.1
135.04416	4.4
136.01530	1.2
137.02271	1.3
137.05951	3.1
137.09529	1.0
142.07722	2.7
143.08551	1.9
144.05630	1.0
145.06551	1.4
145.10077	2.9
147.04446	0.7
147.08008	2.3
149.02383	0.7
149.05911	3.3
150.91586	0.9
151.03844	2.8
151.07520	2.0
153.01817	2.5
154.02550	1.1
155.08510	2.5
157.06413	1.1
157.10095	3.9
159.08072	1.9
161.05984	4.6
162.06718	1.3
163.03893	6.6
163.07526	6.1
165.05467	37.3
166.99725	1.6
169.06485	1.1
173.05963	1.8
173.09598	1.6
174.06700	1.3
175.07552	5.3
176.98923	2.4
177.03917	1.4
177.05452	21.6
177.09027	4.2
179.07005	2.5
183.07980	1.4
185.09634	3.9
187.07503	2.5
189.05472	0.9
189.09047	1.9
191.06976	5.4
191.08517	1.1
191.10681	0.9
192.09409	1.5
193.08562	14.6
193.10118	2.4
194.10815	0.8
195.06503	2.0
199.02374	1.2
199.07535	0.9
201.09102	13.9
202.09628	1.0
203.06984	2.1
203.10645	15.7
205.08449	1.5
205.10152	1.4
206.10834	1.4
207.11703	2.2
209.09604	1.3
211.11163	1.2
211.14839	1.1
213.09015	1.2
215.10573	2.9
217.08549	7.2
218.09328	2.2
219.07986	1.7
219.10103	4.8
219.11742	2.7
220.08795	0.9
220.12392	1.0
221.09561	1.6
221.11684	6.0
221.13499	1.0
225.09047	1.8
229.08432	1.2
229.12318	1.1
233.09610	2.6
234.10437	1.6
234.14052	2.6
235.11186	3.0
235.14833	1.0
236.11975	0.9
237.09076	0.8
239.10670	5.9
243.10202	1.4
243.13861	0.7
244.12329	0.8
247.11176	6.5
248.11923	4.3
249.12701	3.2
249.16316	2.9
251.10681	2.4
252.11404	2.1
253.04909	3.6
253.12419	1.8
254.12926	2.8
255.06206	1.0
257.15363	1.0
261.34717	0.7
262.13480	6.7
263.14243	0.9
265.12109	4.3
266.13019	2.4
267.13760	6.5
267.16837	1.0
270.05261	3.8
271.05588	1.2
271.17010	1.7
273.03827	0.9
277.15848	8.8
278.16144	1.1
280.14618	6.6
285.07373	3.2
285.14813	19.5
285.18042	0.9
286.14987	1.2
295.16891	25.2
295.20212	1.6
296.17236	1.6
298.04749	4.1
299.05511	2.9
301.03476	0.8
313.06949	7.4
313.17944	100.0
314.18225	5.4
316.05835	4.1
317.91019	0.8
331.08047	21.5
331.19006	56.2
332.08438	1.7
332.19299	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
55.05510	10.1
56.05047	1.6
57.03436	5.6
58.06596	6.3
59.05003	1.1
67.05502	11.3
67.05823	1.0
68.05857	0.9
68.99779	0.7
69.03441	1.3
69.07093	1.0
70.06594	8.9
71.05002	2.3
72.08156	9.0
73.06566	5.5
73.08491	1.4
74.02449	1.4
74.06094	1.6
74.81257	0.7
76.07642	14.2
79.01316	0.7
79.05489	7.5
80.05006	0.6
80.05808	0.6
81.07050	9.1
82.06577	1.5
83.04982	3.2
83.08625	0.7
84.04498	0.6
84.05332	0.9
84.08125	4.1
89.10802	0.8
90.09193	7.9
91.05483	1.0
93.07049	1.1
94.06561	1.0
95.04961	2.0
95.08586	1.2
96.04492	2.5
97.02892	0.6
97.04853	0.8
98.06042	4.8
98.98467	100.0
99.08092	2.1
100.07597	1.0
100.73627	0.6
100.98885	2.2
103.05434	1.5
105.03358	0.7
105.07021	1.3
107.04946	0.8
107.08590	10.4
108.08141	1.1
108.08867	1.4
109.10159	1.7
110.09673	1.1
112.03954	1.4
115.00514	0.6
116.07066	0.8
116.99525	2.9
122.09664	1.1
123.11694	1.2
124.07626	0.7
124.11224	2.4
125.09631	36.8
126.09975	5.1
127.11183	1.2
128.10712	5.0
131.04912	5.3
131.57426	0.7
132.05275	1.8
132.10251	0.8
133.06418	0.8
137.02521	0.7
138.12772	0.9
142.12274	10.4
149.05797	0.7
149.09598	1.0
151.03851	0.8
152.10675	1.6
155.07002	0.9
156.13840	4.9
165.03732	0.9
166.12279	0.8
167.03325	0.9
167.07190	0.7
169.07637	7.3
170.08000	1.4
170.11797	3.3
171.12059	0.9
174.99199	2.4
175.07558	0.8
176.97659	0.7
176.98927	7.3
182.15405	5.5
184.13266	1.6
196.16956	2.9
197.17213	1.2
198.14761	2.1
200.16449	56.1
201.16666	1.9
210.06726	0.6
213.19464	1.7
214.16103	1.2
214.18044	23.0
214.19904	3.9
215.18242	1.5
227.01855	0.7
227.06915	0.8
239.06964	0.6
252.99533	0.7
256.18896	2.4
269.04407	0.7
270.04971	1.9
270.07944	0.9
271.09418	0.8
287.05319	1.4
298.04559	0.8
313.06702	0.6
313.12265	1.5
315.04974	0.8
315.08371	0.6
316.05411	1.8
316.08856	1.3
331.08057	8.0
331.11771	1.7
331.25626	26.0
332.08212	0.6
332.25943	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
55.05510	10.1
56.05047	1.6
57.03436	5.6
58.06596	6.3
59.05003	1.1
67.05502	11.3
67.05823	1.0
68.05857	0.9
68.99779	0.7
69.03441	1.3
69.07093	1.0
70.06594	8.9
71.05002	2.3
72.08156	9.0
73.06566	5.5
73.08491	1.4
74.02449	1.4
74.06094	1.6
74.81257	0.7
76.07642	14.2
79.01316	0.7
79.05489	7.5
80.05006	0.6
80.05808	0.6
81.07050	9.1
82.06577	1.5
83.04982	3.2
83.08625	0.7
84.04498	0.6
84.05332	0.9
84.08125	4.1
89.10802	0.8
90.09193	7.9
91.05483	1.0
93.07049	1.1
94.06561	1.0
95.04961	2.0
95.08586	1.2
96.04492	2.5
97.02892	0.6
97.04853	0.8
98.06042	4.8
98.98467	100.0
99.08092	2.1
100.07597	1.0
100.73627	0.6
100.98885	2.2
103.05434	1.5
105.03358	0.7
105.07021	1.3
107.04946	0.8
107.08590	10.4
108.08141	1.1
108.08867	1.4
109.10159	1.7
110.09673	1.1
112.03954	1.4
115.00514	0.6
116.07066	0.8
116.99525	2.9
122.09664	1.1
123.11694	1.2
124.07626	0.7
124.11224	2.4
125.09631	36.8
126.09975	5.1
127.11183	1.2
128.10712	5.0
131.04912	5.3
131.57426	0.7
132.05275	1.8
132.10251	0.8
133.06418	0.8
137.02521	0.7
138.12772	0.9
142.12274	10.4
149.05797	0.7
149.09598	1.0
151.03851	0.8
152.10675	1.6
155.07002	0.9
156.13840	4.9
165.03732	0.9
166.12279	0.8
167.03325	0.9
167.07190	0.7
169.07637	7.3
170.08000	1.4
170.11797	3.3
171.12059	0.9
174.99199	2.4
175.07558	0.8
176.97659	0.7
176.98927	7.3
182.15405	5.5
184.13266	1.6
196.16956	2.9
197.17213	1.2
198.14761	2.1
200.16449	56.1
201.16666	1.9
210.06726	0.6
213.19464	1.7
214.16103	1.2
214.18044	23.0
214.19904	3.9
215.18242	1.5
227.01855	0.7
227.06915	0.8
239.06964	0.6
252.99533	0.7
256.18896	2.4
269.04407	0.7
270.04971	1.9
270.07944	0.9
271.09418	0.8
287.05319	1.4
298.04559	0.8
313.06702	0.6
313.12265	1.5
315.04974	0.8
315.08371	0.6
316.05411	1.8
316.08856	1.3
331.08057	8.0
331.11771	1.7
331.25626	26.0
332.08212	0.6
332.25943	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.5
55.01837	1.4
55.98413	0.5
56.04983	5.1
65.03889	1.0
65.40540	0.6
68.99734	2.2
69.03375	2.1
69.40626	0.6
70.68452	1.2
72.04518	7.8
72.08101	1.0
81.03377	1.4
82.06533	1.2
84.04457	1.2
84.08113	0.8
91.05434	1.3
95.01268	0.8
96.04427	1.2
97.02917	2.9
98.05998	2.3
98.98472	4.0
98.98974	0.9
100.03945	0.7
100.07569	1.8
101.07935	0.7
103.05451	3.9
103.61578	0.7
109.02861	0.7
110.06008	1.9
111.03165	3.1
111.04376	0.7
113.02290	0.7
120.04408	1.0
121.02811	1.2
123.00725	1.1
124.03906	1.6
125.02288	1.1
126.00846	0.5
126.01842	0.9
126.05478	1.3
128.06200	1.0
128.07072	13.4
131.04933	13.0
137.02293	0.7
138.00993	0.7
138.01860	8.0
138.05499	3.2
139.02589	2.5
140.03418	2.0
141.01765	0.7
142.04918	0.7
147.04379	2.7
148.03815	0.9
149.02313	1.2
150.01816	1.5
152.03432	5.1
163.07545	0.6
164.03384	0.7
165.01773	1.8
166.01317	6.7
166.05003	7.6
167.02136	34.5
167.03381	1.7
167.08598	0.7
168.02930	5.0
169.01324	0.8
170.04410	3.3
176.03325	0.7
181.06497	1.0
182.01979	0.9
184.06013	1.6
185.03175	9.3
185.05873	0.9
187.02432	0.8
188.05505	1.9
193.03522	0.8
194.04485	39.5
195.04839	0.9
197.04417	2.8
203.10648	2.2
207.08173	0.7
211.02371	6.7
212.02766	5.0
212.05530	100.0
213.05875	3.5
215.10710	0.7
221.11652	0.7
233.11638	0.7
235.07576	0.7
253.08766	0.8
270.05078	0.8
271.05692	2.3
271.09958	0.6
279.06485	1.1
286.07178	1.1
287.07858	5.7
288.20212	0.6
290.10242	1.1
297.07474	1.8
299.04919	0.7
314.10239	1.4
315.08688	1.8
316.05420	1.3
317.06235	0.9
331.27350	1.2
332.08423	3.7
332.11377	51.0
333.12219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05476	0.7
56.05030	5.6
57.87239	0.5
65.03923	0.6
67.05463	1.9
68.05815	0.5
68.99772	1.4
69.03384	2.0
70.02924	0.7
70.06583	4.8
71.43396	0.5
72.04514	8.5
72.08168	2.7
73.08466	0.6
73.37340	0.5
79.05472	1.2
81.07012	1.3
82.06542	1.6
83.04981	0.7
84.04475	1.4
84.08123	0.6
86.11075	0.5
91.05460	1.5
93.03403	0.6
94.02892	0.5
95.01319	1.1
95.04937	0.5
96.04470	0.8
97.02882	2.4
98.06019	2.0
98.98463	7.8
100.07590	3.9
101.07903	1.0
102.08132	0.5
103.05453	4.9
105.03326	1.1
105.07027	1.0
107.04914	1.6
107.08575	0.9
109.10121	0.8
110.02357	0.5
110.06010	1.6
111.03168	3.6
111.04397	1.4
112.09276	0.6
116.62202	0.5
119.04931	1.0
121.02831	1.2
123.00761	0.5
124.03934	1.8
125.02301	1.1
125.09595	2.2
126.01797	0.6
126.09937	1.6
128.07080	8.5
131.04921	20.0
132.05252	1.0
137.02333	0.6
138.01846	6.7
138.02798	0.8
138.05455	3.1
139.02652	1.1
140.03435	2.7
141.01790	0.7
141.62593	0.5
142.04977	0.8
147.04434	3.0
148.03912	1.2
149.02319	2.2
150.01807	2.2
152.03421	4.5
156.45569	0.6
157.06454	0.6
163.07542	0.6
164.03337	0.7
165.01851	1.4
166.01328	6.1
166.04994	7.9
167.02133	30.6
167.03313	1.3
168.02922	4.9
170.04462	4.0
171.07948	0.6
175.03838	0.7
176.98840	0.7
182.02051	0.5
183.02905	1.2
184.02344	1.6
184.05994	1.7
185.01675	1.0
185.03186	12.6
185.05836	0.8
187.02333	0.6
188.05524	2.0
189.09140	1.1
192.02937	1.3
193.01366	0.8
194.04480	45.9
195.04805	1.2
197.04474	4.8
197.06238	0.8
197.17366	0.7
203.03322	2.9
203.10614	2.4
211.02364	4.0
212.05527	100.0
213.05838	3.6
214.19887	0.8
221.04465	1.0
221.11670	0.6
227.07042	1.0
228.02196	0.8
229.03452	1.4
235.07559	0.6
245.07954	0.6
251.07037	1.0
253.08531	1.1
278.04987	0.6
279.06552	1.4
286.07120	0.6
286.11896	0.7
287.07901	4.4
290.10297	0.9
297.07584	2.0
297.10623	0.5
304.07169	0.6
305.08014	4.4
314.10306	1.5
315.08649	1.5
331.27148	3.0
332.11279	63.5
333.07596	7.8
333.11456	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03459	0.5
55.01873	0.6
56.05035	4.5
62.06062	0.6
67.05482	0.6
68.99783	1.4
69.03408	1.1
69.07053	0.6
70.02942	0.6
70.06571	0.5
71.40648	0.5
72.04516	8.1
72.08138	1.6
79.05470	0.9
81.07048	1.0
82.06564	1.3
84.04486	1.9
86.06080	1.2
86.09699	1.9
87.04449	1.4
93.07003	0.9
94.02879	0.5
95.01316	0.6
95.04946	1.0
95.08595	0.6
96.04468	1.2
98.02386	0.7
98.06059	3.0
98.98461	7.9
100.03971	1.0
100.98910	0.5
104.07136	0.5
107.04942	0.6
108.08083	0.6
110.06026	2.0
111.03199	3.0
111.04476	0.8
119.04952	0.7
120.04476	0.5
121.02847	1.6
123.00789	0.9
124.03945	2.2
126.01860	0.7
126.05505	0.7
133.06439	0.6
138.01852	10.5
138.05511	3.5
139.02600	1.7
140.03389	2.2
142.05014	0.7
144.06506	0.7
147.04408	2.9
148.03964	0.7
149.02348	1.0
149.09598	0.5
150.01842	1.7
151.00208	0.6
152.03415	6.1
156.03000	0.6
164.03427	0.7
166.01353	7.9
166.04991	8.5
167.02135	32.1
168.02946	5.7
170.04478	4.3
173.12839	1.1
176.03516	0.6
176.98965	0.7
180.02866	1.0
181.03265	1.1
184.02457	1.8
184.06047	1.7
185.03191	12.5
188.05515	2.3
193.03618	0.5
194.04485	45.3
195.04736	1.4
200.75476	0.5
210.14560	0.6
211.13249	0.9
212.05531	100.0
213.05875	2.1
216.99841	0.6
270.16995	0.7
286.07153	0.7
287.07816	4.6
290.10233	0.6
301.03534	1.2
301.08878	0.7
314.10269	1.6
314.19727	3.2
332.11264	56.5
332.24243	1.3
333.05856	1.1
333.11694	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.38628	0.4
53.03934	0.6
55.01869	0.8
57.03430	1.3
60.08138	1.2
61.02924	2.5
65.03939	1.3
67.05502	2.8
69.03423	5.5
70.06583	0.6
71.43051	0.5
73.02912	1.5
79.05468	1.1
81.03391	1.9
81.07041	0.6
84.09334	0.6
85.02893	6.0
87.04459	1.8
91.03964	0.7
92.04993	0.8
93.05775	1.0
97.02911	2.8
98.97569	1.4
98.98460	1.5
99.04431	0.8
101.23354	0.5
104.10735	28.3
106.06540	4.6
108.08109	100.0
109.02858	1.0
109.08460	2.2
116.98619	0.5
123.06812	4.0
124.07579	14.7
127.03891	1.1
134.06012	11.0
136.07570	12.9
152.07054	73.3
153.07422	1.4
154.08630	1.5
155.02025	0.5
160.04539	1.8
170.08104	7.9
177.00978	1.3
184.04558	1.3
196.04536	0.8
203.02475	0.6
207.04976	0.6
218.98483	1.2
219.01985	4.4
233.46724	0.5
234.05864	0.6
236.99457	0.9
238.02132	0.5
239.70192	0.6
274.23450	0.6
275.08267	0.6
314.12326	39.4
315.08905	0.7
315.12430	0.9
332.06897	1.4
332.13409	50.2
333.01901	0.6
333.13733	1.7
350.07993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45995	1.4
53.03936	1.7
55.01880	1.8
55.05505	5.2
56.05025	2.2
67.05507	7.1
69.03413	6.0
69.07047	4.3
70.06590	6.4
70.81742	1.3
71.04984	1.9
73.84813	1.3
79.05480	6.1
79.25690	1.5
80.05031	2.2
81.03413	7.2
81.07042	11.6
82.06593	1.7
83.04970	4.9
83.08588	3.9
84.04502	4.8
84.08131	2.2
85.02897	3.4
86.06058	31.9
86.09718	4.0
87.04458	27.7
91.05484	4.5
93.07018	8.8
95.04964	3.0
95.08608	5.5
96.04444	1.8
96.08120	2.3
97.06517	5.1
98.06044	19.9
98.98457	24.1
102.05570	1.6
104.07103	18.0
105.07028	5.6
106.06525	1.5
107.08577	4.4
108.08067	1.8
111.77255	1.5
112.07584	7.2
117.06974	1.5
119.08532	3.2
121.02851	12.0
121.10165	4.2
122.05970	1.4
124.07576	4.8
131.08553	2.6
133.10132	2.8
138.12787	1.9
140.07109	3.1
142.08629	2.1
147.11705	3.2
149.09592	13.9
150.58481	1.5
152.07138	1.7
157.10161	1.9
158.08125	3.3
161.02286	1.7
163.34865	1.3
165.12756	1.9
170.12837	2.9
175.11201	2.3
184.13419	2.8
189.01823	6.5
191.05344	2.2
193.12151	7.5
195.13651	2.3
207.02863	1.8
210.14943	6.7
211.13268	14.0
224.16603	2.1
231.02829	4.4
235.02345	2.8
245.04388	2.6
252.15919	5.7
268.19080	1.6
270.16962	8.6
272.02704	1.6
273.03873	6.1
274.04675	5.6
278.17429	5.0
288.18042	17.9
296.18701	3.7
301.03537	3.2
314.19586	100.0
315.05057	3.6
315.19894	5.4
318.03091	1.9
332.17581	5.4
332.20825	2.4
332.23984	9.7
333.05966	26.1
337.79785	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	332.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96457	1.0
60.04525	21.7
67.05508	1.4
68.76866	1.1
68.99786	1.8
69.03416	2.0
69.07064	1.2
71.42949	1.0
72.04507	2.9
79.05482	1.4
81.03381	1.6
81.07019	1.8
83.05009	1.4
84.04537	1.3
85.02894	1.4
86.09705	95.7
87.05595	14.6
87.10030	2.0
92.95191	0.9
95.04968	1.7
98.98462	24.7
100.98927	1.8
105.07034	2.1
107.08593	1.4
108.08122	1.3
119.08575	1.1
120.08058	1.3
121.10116	1.6
128.10713	10.8
132.10182	6.8
137.06000	1.2
148.11192	2.4
165.01797	1.1
167.02107	1.8
173.12852	100.0
174.13100	1.5
176.98927	1.6
194.04439	2.2
194.11781	12.7
201.12344	24.1
211.02351	11.9
212.02719	12.8
212.05528	6.1
219.13411	5.0
234.06651	1.1
245.18567	2.1
258.07635	1.0
306.51273	1.0
332.11325	2.7
332.24490	7.5
333.05948	2.5
351.82318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96457	1.0
60.04525	21.7
67.05508	1.4
68.76866	1.1
68.99786	1.8
69.03416	2.0
69.07064	1.2
71.42949	1.0
72.04507	2.9
79.05482	1.4
81.03381	1.6
81.07019	1.8
83.05009	1.4
84.04537	1.3
85.02894	1.4
86.09705	95.7
87.05595	14.6
87.10030	2.0
92.95191	0.9
95.04968	1.7
98.98462	24.7
100.98927	1.8
105.07034	2.1
107.08593	1.4
108.08122	1.3
119.08575	1.1
120.08058	1.3
121.10116	1.6
128.10713	10.8
132.10182	6.8
137.06000	1.2
148.11192	2.4
165.01797	1.1
167.02107	1.8
173.12852	100.0
174.13100	1.5
176.98927	1.6
194.04439	2.2
194.11781	12.7
201.12344	24.1
211.02351	11.9
212.02719	12.8
212.05528	6.1
219.13411	5.0
234.06651	1.1
245.18567	2.1
258.07635	1.0
306.51273	1.0
332.11325	2.7
332.24490	7.5
333.05948	2.5
351.82318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88628	1.3
56.04776	2.1
56.05032	27.8
57.05838	1.3
57.07074	26.9
58.06337	1.5
58.06599	18.6
60.04514	6.1
63.03848	1.1
68.05016	1.7
69.62113	4.4
71.08633	15.8
74.06073	23.2
85.10174	8.1
86.06065	4.3
88.07623	4.5
98.98453	12.2
104.07079	1.3
105.82852	1.2
115.96932	1.2
118.08633	9.9
122.08133	46.9
228.02676	2.0
284.29468	3.5
302.17465	1.3
315.02350	1.6
332.08670	2.2
332.23026	4.6
332.31555	100.0
333.16742	2.5
333.20392	3.8
333.31879	6.7
337.82654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	12.0
57.06828	0.6
57.07080	8.7
58.06599	6.8
60.04527	2.0
64.36374	0.4
65.44519	0.4
68.05022	0.6
69.07053	0.6
69.66851	1.6
70.27724	0.5
71.08624	4.0
74.06078	10.3
74.89272	0.4
76.92924	0.4
79.22385	0.4
83.15711	0.4
84.16958	0.4
84.86820	0.4
85.10179	1.8
86.06052	1.5
86.63139	0.4
87.31430	0.3
88.07627	39.2
88.18362	0.4
88.63268	0.4
89.07908	0.5
98.22719	0.5
98.29912	0.4
98.98470	3.9
104.07099	0.7
118.08655	8.4
122.08122	6.3
132.37782	0.4
170.68790	0.4
228.02930	0.6
270.27747	0.5
284.29465	32.5
285.29645	1.9
291.02579	0.5
314.18420	0.5
314.30304	2.2
315.02322	0.7
332.08475	0.7
332.23511	2.2
332.31564	100.0
333.16718	1.0
333.20288	11.2
333.31787	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3308
Annotation	Piptamine(antibiotic)
Peak:m/z	Relative Intensity
51.31141	0.1
53.86728	0.1
55.05505	0.2
57.07070	0.6
58.06594	36.4
59.06910	0.2
63.02390	0.1
65.03934	2.4
69.07066	0.2
69.29840	0.3
69.30252	0.4
71.08630	0.4
72.08145	0.5
90.47974	0.1
91.05471	100.0
92.05809	1.6
124.63132	0.1
134.09763	0.1
142.22746	0.1
169.43797	0.1
211.16907	0.1
222.18524	0.1
240.26830	19.5
241.27226	0.8
274.27472	0.1
332.33066	81.9
333.33417	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	333.0604
Annotation	Nidifocene
Peak:m/z	Relative Intensity
55.01892	0.5
55.05534	0.5
55.29680	0.3
56.02678	0.3
62.00238	0.2
67.05522	0.4
68.99823	0.7
69.07082	0.3
69.87013	0.3
70.70774	0.5
73.92126	0.3
79.05541	0.3
81.03442	0.3
81.07078	0.6
84.02160	0.9
85.02910	0.2
91.05519	0.7
93.07092	0.4
95.08642	0.7
98.98482	2.1
99.00855	1.0
100.11301	0.5
105.07070	0.5
107.02678	0.2
107.08630	0.8
109.10195	0.4
111.04475	0.4
112.01580	2.6
112.57790	0.3
119.04958	0.3
119.08607	0.5
121.02925	0.5
127.00305	1.0
133.10176	0.4
135.08113	0.8
137.05983	0.4
140.01031	4.5
150.03189	0.7
151.03973	0.7
151.07532	0.2
152.04675	0.4
153.01823	3.6
154.99815	0.3
160.05266	0.3
161.05998	0.3
163.07559	0.4
168.00539	19.8
169.01334	4.8
171.11740	0.3
179.03398	0.3
181.08670	0.3
186.01595	10.4
189.05322	0.3
189.09103	0.4
192.04207	0.5
203.03502	0.5
203.14293	0.5
216.04237	0.8
219.02939	0.5
227.03349	0.4
242.05222	0.3
244.03571	0.6
272.03265	0.7
287.05768	0.3
289.03641	0.4
290.04251	1.9
297.18408	0.8
301.03333	0.9
315.05081	0.4
315.19473	0.8
317.02634	1.2
318.03677	97.8
319.04050	3.3
333.06006	100.0
334.06345	5.1
334.27231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	6.6
83.06082	3.5
84.04500	8.0
84.08125	9.8
86.09682	14.6
98.97591	8.8
98.98462	90.1
100.98885	7.3
116.98631	5.4
119.04924	4.4
130.06606	3.9
137.05963	10.5
145.06493	7.8
147.04382	10.5
152.55144	3.3
160.66367	3.1
173.06007	4.1
176.81592	3.4
176.99017	8.8
179.07034	5.8
188.06924	3.9
189.01785	8.6
199.18175	3.9
203.03459	5.1
217.01225	3.4
235.02516	4.8
240.74808	3.6
266.86136	3.3
273.03912	9.2
301.03500	3.7
315.05164	4.9
315.09570	4.8
322.82565	3.7
333.05939	23.6
333.09451	26.5
333.15149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03159	0.3
58.43507	0.2
68.99798	0.5
71.40726	0.3
75.63653	0.2
80.02615	0.5
80.64368	0.2
91.05463	0.3
98.03658	0.5
98.98441	1.0
103.05486	0.4
108.01509	0.3
108.02094	2.7
123.84787	0.3
131.04927	1.4
136.01552	13.1
137.02264	0.9
139.00249	1.8
145.92635	0.2
153.01787	1.3
154.02605	9.8
155.03130	0.2
163.03853	0.8
164.01042	6.0
167.07079	0.3
169.01337	0.3
182.02090	19.9
183.02475	0.5
197.04440	100.0
198.04788	3.2
200.03137	7.9
211.02347	0.3
230.00406	0.2
254.05814	0.5
291.08609	0.6
300.76572	0.3
315.08524	1.2
333.09573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0966
Annotation	Dioclein
Peak:m/z	Relative Intensity
55.01852	0.5
68.99781	0.6
69.03428	0.3
71.01305	0.4
80.10221	0.3
84.02097	0.7
89.03884	0.4
91.05460	0.6
93.07021	0.3
95.01299	0.5
98.03672	0.5
98.98436	1.1
99.00809	0.4
103.05436	1.2
108.02076	1.9
109.02808	0.3
112.01553	1.0
116.36681	0.3
117.03393	2.2
119.04927	0.4
121.06441	0.3
127.00253	0.5
131.04913	5.5
132.05240	0.6
135.04445	0.8
135.11821	0.3
136.01549	10.7
137.02307	0.7
137.05954	1.1
139.00244	1.2
140.01009	1.2
145.02824	3.4
149.05954	0.5
150.06778	0.6
153.01820	1.3
154.02600	9.6
160.90741	0.3
163.03854	1.0
164.01048	4.3
167.06999	0.3
168.00529	8.9
169.01172	0.5
177.05452	4.9
182.02080	17.5
183.02878	19.1
184.03209	0.5
186.01582	4.9
197.04436	100.0
198.04808	2.6
200.03149	7.6
201.03915	1.9
209.04510	0.5
254.05818	0.6
287.05447	0.5
291.08691	0.6
315.08600	1.3
315.15732	0.4
333.09650	13.4
334.09952	0.6
355.06354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0966
Annotation	1-Hydroxy-2,3,4,7-tetramethoxy-xanthone
Peak:m/z	Relative Intensity
52.04824	0.6
53.03943	1.0
55.05502	2.1
59.50805	0.6
65.03928	2.5
68.99777	1.5
69.03410	3.1
69.30582	1.8
69.30982	1.3
71.05003	0.9
79.05470	0.9
79.80957	0.6
80.94455	0.6
81.03370	0.7
83.04971	1.8
84.04496	1.5
85.02902	13.9
85.06541	17.7
86.00182	0.6
91.05456	3.8
93.03400	4.5
95.01330	0.9
95.04977	3.8
97.02852	0.7
97.06528	1.0
98.98459	11.8
98.99082	0.8
100.98888	0.9
105.03500	0.7
109.02894	1.0
109.06487	2.0
111.04440	3.5
119.04934	8.3
121.02858	21.7
130.04999	1.1
135.04433	1.3
135.08125	0.8
137.02261	0.9
137.05959	1.0
139.03899	0.8
141.05455	1.8
145.02837	3.8
147.04401	28.8
148.04778	0.8
153.05438	3.2
153.06941	0.9
155.03369	1.4
155.08543	0.7
163.03891	2.6
165.01825	1.3
165.06955	1.6
170.08063	1.0
171.06477	1.0
176.98920	1.0
181.06450	2.0
183.08023	4.2
187.10791	3.4
193.06343	0.8
199.07497	2.8
211.07527	3.8
213.09026	1.0
227.07011	10.1
228.07707	1.1
233.04408	1.2
234.67722	0.6
237.05457	1.2
239.07014	13.9
241.08618	2.3
255.06522	19.0
256.07220	5.4
257.08139	5.8
265.04895	5.2
271.09628	5.8
273.07568	7.4
283.06046	2.3
301.07043	49.8
302.07388	2.7
315.08600	100.0
316.08975	4.9
333.09460	2.1
333.20737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71791	0.6
53.03931	0.7
55.01865	4.9
65.03934	2.4
68.99788	2.2
69.03432	4.8
69.06411	2.2
69.06832	2.6
71.01353	1.8
73.02910	3.1
77.03929	0.9
79.01842	1.2
81.03409	1.1
83.01347	1.3
83.04930	0.7
87.59263	0.6
90.49099	0.6
91.05464	2.0
93.03413	1.1
95.01332	5.1
95.04966	1.8
97.02885	15.1
98.98457	0.8
103.05462	29.3
105.03341	1.0
105.07028	2.2
107.01305	2.2
109.02870	0.9
111.04443	1.3
113.02382	0.9
115.03925	2.3
115.05440	1.7
121.02846	5.6
123.00780	2.5
125.02346	7.3
129.07004	2.3
131.04919	100.0
132.05240	3.2
137.02313	3.8
139.03903	2.8
141.01840	3.7
141.06973	1.6
147.04384	1.0
149.02327	5.5
151.00229	1.7
153.06964	1.1
155.03394	2.0
155.04884	1.3
155.08565	1.8
157.06471	3.2
159.08058	0.7
165.01816	9.2
165.06999	1.0
167.03403	9.5
167.08516	1.5
169.01338	2.1
171.33060	0.6
173.05963	5.4
178.07703	1.0
179.08574	1.6
181.06465	3.1
183.02916	7.7
183.04401	1.6
183.08057	1.0
185.04443	5.0
185.05991	5.5
187.02377	7.9
193.01279	5.2
195.08081	2.4
199.07516	4.3
201.05495	1.5
203.07079	0.9
207.07997	2.4
209.06007	1.9
211.02338	24.5
211.07512	2.0
212.02657	0.8
217.04851	0.9
223.07544	3.4
225.05525	1.3
225.09036	1.8
227.07028	8.3
229.03392	9.2
233.05896	0.9
235.07529	2.9
237.05557	1.0
247.04424	4.7
251.06966	7.6
253.04933	2.0
253.08528	3.6
255.06488	2.1
269.08063	2.9
271.09592	1.7
273.07745	1.5
279.06525	8.2
287.09119	0.8
297.07574	10.7
297.10684	1.2
315.08575	12.2
333.09665	18.2
334.10049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40657	0.4
70.06581	2.7
70.33676	0.9
72.08167	0.5
78.92457	0.4
80.92146	0.6
83.06079	0.7
84.04490	1.2
84.08128	0.9
86.09697	1.8
87.09988	0.5
89.77440	0.4
98.98459	11.0
100.98878	0.7
101.06019	0.6
116.07040	0.6
116.98619	0.6
120.08031	0.4
130.06502	1.7
132.08157	0.5
146.05992	1.3
147.04393	0.6
147.97202	0.4
159.09247	0.8
170.99130	0.7
171.09921	2.0
171.99107	0.6
175.03943	0.5
176.98849	0.7
188.07071	1.7
189.00087	1.3
189.01811	1.1
190.00130	1.0
197.07062	0.6
199.47722	0.5
205.09714	0.6
208.96472	0.9
216.43176	0.5
217.07520	1.0
231.02980	1.0
235.02394	0.6
241.09799	0.6
254.99553	0.5
255.02927	0.5
256.08237	0.6
270.12411	0.9
273.03973	1.0
274.04700	0.8
301.03394	1.1
315.09750	3.7
316.12970	1.3
327.94818	0.8
328.94516	0.6
333.06088	4.9
333.15155	100.0
334.15567	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	34.1
57.01414	0.4
58.06583	0.4
59.06393	0.5
60.48089	0.6
60.48410	0.5
67.30844	0.5
69.13260	2.1
69.13670	1.1
71.95242	3.5
72.01098	0.5
72.96034	0.7
74.97588	0.8
79.05482	0.6
81.07040	1.2
83.04959	0.6
84.96008	1.5
87.68642	0.6
91.05464	1.0
93.07002	0.7
95.08610	0.8
97.96784	5.3
98.97563	1.0
98.98450	2.7
105.00146	1.4
105.07042	0.9
107.08588	0.8
109.10150	0.8
110.97555	13.6
115.97830	4.8
116.98587	1.1
119.01636	0.8
119.08633	0.5
123.01163	1.9
124.99146	0.7
128.98593	21.9
129.99327	0.5
131.00040	1.0
133.98849	1.4
137.02713	1.7
140.98399	0.7
141.02206	0.6
143.00113	2.0
146.99637	14.1
151.04248	0.7
152.00174	1.1
155.03748	1.8
161.01195	2.8
165.00682	1.9
165.05734	0.7
165.12724	0.8
166.01765	0.5
167.03860	0.5
169.01706	1.1
169.05350	0.7
170.01208	1.0
171.03259	1.7
173.02644	0.7
174.98982	1.2
175.02763	1.3
176.03500	0.9
183.03201	1.0
185.04852	1.7
187.02817	0.7
189.00526	1.0
189.04327	2.4
190.05096	2.1
193.03842	0.6
195.06847	0.8
197.04903	0.7
199.06314	0.8
199.22949	0.6
203.05865	2.2
204.06598	0.8
208.06177	1.2
209.08488	0.8
211.06474	0.7
221.08560	0.8
221.12262	0.5
225.07950	1.2
226.08704	0.8
227.09671	0.7
235.10191	0.6
239.09572	0.8
241.11189	1.5
244.09642	0.8
245.08356	0.7
245.10579	1.4
249.08044	0.6
252.10339	1.2
255.12532	0.6
259.12134	1.1
263.09549	4.8
264.10278	1.4
265.11090	0.7
277.11133	1.3
281.10532	0.9
282.11411	0.7
285.11569	0.7
303.12537	3.0
313.14841	1.5
315.16257	63.1
316.16653	4.0
331.15759	4.0
332.31592	1.1
333.17294	100.0
334.17670	5.7
351.18378	15.0
352.18701	0.9
356.18909	10.7
357.19351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32695	0.6
69.82991	2.0
79.05499	0.7
91.05473	1.2
91.32014	0.8
96.11160	0.8
98.98470	1.0
119.08594	1.2
143.08559	0.8
157.06763	0.7
184.79750	0.7
199.14943	0.7
206.39780	0.7
232.96504	0.7
252.72104	0.7
333.20306	100.0
334.20773	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93385	0.7
81.07040	0.7
82.44060	0.5
90.15064	0.5
95.39555	0.5
98.23486	0.7
98.98483	0.6
101.03707	0.6
133.10075	0.6
216.67386	0.6
221.11467	1.3
235.12971	0.9
251.12531	0.7
315.19482	0.6
333.20331	100.0
334.20648	6.2
334.29514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78150	0.5
69.94592	0.8
69.94918	1.0
74.83959	0.4
81.07033	0.4
88.07584	0.5
97.54017	0.5
98.98455	1.5
105.07007	0.6
109.10205	0.5
119.08577	0.7
144.10519	0.4
205.78946	0.4
207.11772	0.6
237.16113	0.5
242.24834	0.5
247.13187	0.7
248.16295	0.5
251.12489	0.6
323.54916	0.5
333.20322	100.0
334.20712	5.7
334.29480	1.7
351.18719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62944	0.6
56.05031	1.2
57.03429	1.1
57.07076	1.3
58.06586	2.1
65.79951	0.5
67.05499	1.3
69.92479	0.6
71.42855	0.7
72.08161	0.9
74.06079	1.1
79.05476	1.3
81.03416	3.0
81.07038	1.2
85.06538	0.6
86.06055	0.8
88.07619	9.2
91.05481	1.0
93.07021	1.1
95.04958	2.5
95.08643	0.8
97.36292	0.5
98.98446	2.1
104.07067	0.5
105.07025	1.0
107.08602	1.5
109.06527	0.8
109.10169	0.8
111.04408	0.7
119.08561	1.4
121.10132	2.6
127.01554	1.5
132.10170	1.9
133.10121	0.9
135.08029	0.7
143.08551	1.1
145.06470	0.6
145.10130	1.0
147.08099	1.0
155.96979	0.5
157.10092	1.2
159.11653	0.9
162.11308	0.7
163.11182	1.7
171.11679	1.2
175.11148	0.5
175.14783	1.0
185.13248	0.6
193.15884	0.7
199.43825	0.6
242.24773	7.6
286.27359	2.9
297.18402	1.2
315.19379	3.5
333.20331	100.0
334.20673	5.8
334.29489	22.7
334.33594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
68.68145	0.5
71.87783	0.6
87.08341	0.5
88.07623	1.1
96.81696	0.5
98.98474	0.7
141.82280	0.5
195.09941	1.5
242.24896	0.6
315.18661	0.8
333.20325	100.0
334.20761	7.1
334.29453	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	0.3
58.06569	0.6
59.06448	0.3
59.49183	0.3
69.61018	0.9
72.01444	0.3
81.07033	0.8
88.07615	2.7
89.25875	0.3
91.05468	0.4
93.07082	0.4
94.72343	0.3
95.08625	0.4
98.23643	0.3
98.98481	0.7
104.74152	0.4
105.06995	0.8
107.08588	0.7
119.08640	0.5
133.10176	0.4
143.08522	0.3
145.10104	0.8
222.40314	0.3
242.24736	2.5
263.12531	0.6
286.27368	0.8
315.19479	0.7
333.20322	100.0
334.20700	7.2
334.24692	0.5
334.25571	0.6
334.29431	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	2.7
56.66318	0.9
57.07071	1.7
58.06597	1.3
62.98254	1.1
69.05334	0.6
69.94654	1.8
71.08628	0.9
74.06071	1.9
75.06410	0.7
86.06086	0.7
88.07629	7.8
89.07941	1.0
95.08656	0.7
98.98455	3.8
105.03352	0.7
118.08681	0.8
122.08137	1.6
212.97922	2.3
230.04448	1.9
246.18356	0.9
264.54858	0.7
284.29492	1.5
285.29852	5.3
294.16589	0.8
315.02371	3.0
317.04205	2.5
332.31580	3.2
333.17105	3.9
333.20343	100.0
333.31796	15.3
334.10712	1.3
334.20633	7.0
334.24762	2.2
358.26895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76583	0.4
63.33092	0.4
69.85439	1.6
70.06573	0.5
81.07027	0.6
93.07056	0.8
95.08611	0.4
98.98479	0.7
105.07027	0.4
107.08611	0.6
123.08187	0.5
150.03035	0.5
165.12727	0.6
184.54248	0.4
279.80475	0.5
300.27737	0.5
332.34305	1.2
333.20331	100.0
334.20712	5.3
334.27563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
52.68733	1.7
53.03935	3.1
55.01859	2.3
55.05507	17.8
57.07066	2.5
60.92423	1.3
65.03944	2.2
67.05502	27.8
69.03389	1.3
69.07064	19.0
69.14077	8.9
71.04986	2.9
77.03949	1.6
79.05489	55.5
81.03414	4.5
81.07050	42.9
83.04976	3.7
83.08616	8.6
89.48466	1.2
90.59795	1.3
91.05476	43.4
93.07040	83.1
94.07372	1.9
95.04958	14.2
95.08601	54.4
97.02867	4.5
97.06515	2.9
97.10156	2.7
98.23438	2.5
98.98451	3.4
99.04466	2.3
99.08077	1.6
103.05467	2.9
105.04487	3.2
105.07021	60.2
107.04937	2.2
107.08588	100.0
109.06514	5.8
109.10141	33.4
110.10472	1.2
111.04438	3.9
111.08067	5.8
113.06011	1.8
117.07047	7.5
119.08570	46.4
121.06510	8.9
121.10136	60.4
123.04438	2.9
123.08086	2.1
123.11707	8.1
125.05981	3.5
125.09629	3.3
127.03883	3.1
129.05461	1.6
129.06987	4.5
131.08554	12.9
133.09186	1.8
133.10130	22.3
135.08034	6.7
135.11684	32.2
137.05939	2.7
137.09619	2.3
137.13272	1.5
139.07545	10.0
142.07773	2.2
143.08542	10.5
145.10109	22.8
147.08031	2.7
147.11676	15.3
149.05980	2.6
149.09645	1.8
149.13243	35.3
151.07561	1.9
151.11278	1.4
153.09084	7.0
155.07133	1.5
155.08505	2.5
156.09346	2.6
157.08595	10.2
157.09891	10.7
157.83369	1.3
159.08090	1.7
159.11705	15.9
161.09627	1.5
161.12083	1.3
161.13258	9.3
163.07492	1.6
163.14874	5.1
169.10121	2.8
170.10878	1.5
171.10167	6.8
171.11687	12.9
173.09654	2.1
173.13225	9.5
175.07443	1.4
175.14810	6.7
177.09090	2.5
177.12695	3.0
177.16351	3.9
179.10661	1.9
181.10043	2.5
185.09705	1.8
185.13260	6.0
187.11201	2.9
187.14838	5.2
189.09369	1.4
189.12680	2.2
189.16382	21.8
191.10670	5.1
199.11174	5.9
199.14841	4.2
203.10667	2.5
205.12241	5.7
209.13339	1.8
213.12753	2.8
217.12273	4.1
219.13783	2.0
223.13219	6.4
225.16411	1.4
227.17932	4.0
231.13788	2.8
235.13264	2.6
241.19513	12.9
259.20587	3.6
269.19040	5.4
287.20007	11.4
305.21103	17.1
315.19589	3.1
328.15213	1.6
333.05936	1.7
333.13019	3.6
333.20627	8.3
334.23737	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	333.2061
Annotation	capsiconiate
Peak:m/z	Relative Intensity
51.82415	1.1
55.01853	1.5
55.05505	3.9
57.04071	1.3
57.07077	2.0
67.05502	2.9
69.03413	2.3
69.07059	4.1
70.06582	4.6
71.42764	1.5
74.32414	1.2
79.05502	3.3
81.07043	5.8
88.07633	2.6
88.10973	1.5
91.05470	3.0
93.07048	4.3
95.08600	13.2
97.10143	1.7
98.98446	9.0
99.08070	2.9
102.09170	1.5
105.07052	3.0
107.04966	1.4
107.08574	3.4
109.10148	4.9
113.09652	3.7
115.05474	1.8
117.07022	3.4
119.08586	2.2
121.06496	2.4
121.10098	1.7
123.04431	3.0
127.01569	1.7
128.06201	3.4
129.07002	2.7
131.08586	2.0
132.10193	1.9
133.10147	1.6
135.04430	4.0
135.08067	2.6
138.58926	1.2
142.07762	5.3
143.08508	8.0
145.06462	3.2
146.11743	2.0
147.08040	2.0
147.11711	4.2
148.05231	1.8
149.05954	3.0
149.09534	1.6
153.05450	9.2
155.08571	2.5
157.06474	1.7
157.10109	6.0
159.08083	1.5
161.05968	6.7
163.07544	100.0
165.09195	6.9
165.12714	1.4
167.08577	1.4
169.10141	1.7
170.33989	1.4
171.08061	3.7
171.11626	1.5
174.06821	1.4
175.07503	4.9
176.98933	1.8
177.05486	2.7
177.09108	4.7
179.07040	2.1
181.08589	33.6
181.10118	2.8
182.09029	1.7
183.08116	1.7
185.09663	3.8
187.07463	2.3
189.09093	32.2
190.09395	1.6
195.09976	1.5
197.09564	1.7
197.13374	1.4
199.11148	2.4
201.09074	5.3
203.10655	34.2
204.11122	2.3
205.08536	4.2
207.10124	13.6
209.09491	1.6
213.09100	4.0
215.10686	5.9
217.12267	13.5
219.10170	2.3
221.11723	15.6
227.10631	7.3
228.23230	4.2
229.12250	1.8
233.11800	2.0
235.13177	2.7
241.12172	3.8
245.11708	1.9
255.13805	1.5
257.15286	1.8
269.15396	1.3
272.25851	9.2
279.17480	3.4
297.18491	18.5
315.19537	40.0
316.19879	2.9
333.16919	2.7
333.20502	14.9
333.26068	2.6
334.29507	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
51.02389	0.7
53.03929	1.4
55.01864	1.6
55.05506	8.2
57.07080	1.4
59.04985	1.7
65.03920	1.6
67.05502	10.5
69.03429	8.2
69.07062	7.3
69.12187	4.9
71.04991	1.9
77.03915	0.7
79.05486	10.9
81.07048	16.4
83.04974	29.7
83.08614	2.3
85.06522	1.0
91.05473	13.4
93.07034	17.0
95.04962	4.9
95.08598	14.0
95.19186	0.6
97.02879	7.3
97.06538	4.8
97.10149	1.0
98.98463	8.2
99.08079	12.3
100.98866	0.9
103.05473	1.1
105.07015	19.0
107.04961	6.6
107.08584	22.0
108.08881	0.7
109.06520	7.1
109.10145	6.6
111.04437	10.5
111.08067	3.8
115.05440	1.3
117.07013	5.2
119.04913	1.5
119.07806	0.9
119.08562	25.5
121.02885	1.0
121.06519	7.4
121.10137	13.2
123.08073	7.6
123.11703	3.0
125.06010	1.5
125.09616	1.3
128.06210	2.0
129.07036	3.6
130.07796	1.2
131.08559	9.5
133.06462	3.5
133.10110	13.2
135.08041	26.7
135.09065	1.5
135.11674	3.8
137.06015	1.6
137.09596	8.5
139.07541	1.5
139.11183	2.5
141.07010	1.2
142.07773	3.5
143.08560	7.1
144.09315	1.2
145.06427	1.1
145.10121	12.9
146.10567	0.6
147.04390	1.7
147.08043	5.8
147.11678	10.0
149.05984	1.9
149.09576	7.1
149.13242	2.2
151.07526	2.8
151.11194	2.5
153.09090	1.3
155.08496	2.4
156.09334	5.2
157.06491	1.2
157.10106	12.9
158.10899	1.2
159.08032	3.1
159.11679	10.6
161.09631	5.1
161.13240	5.4
163.07495	0.8
163.11166	3.7
165.05470	0.8
165.09116	2.9
167.08580	0.7
167.10628	1.2
169.10094	5.1
170.10922	1.7
171.08051	1.4
171.11679	14.2
172.08836	0.9
172.12140	1.1
173.09628	5.5
173.13251	5.8
175.07513	1.5
175.11177	8.3
175.14743	3.4
176.98961	0.9
177.09073	2.4
177.12781	2.0
179.07077	0.8
179.10669	0.9
181.10091	2.9
182.10825	1.2
183.11681	3.1
185.09579	3.7
185.13264	6.3
187.11102	3.8
187.14818	3.1
189.09047	1.5
189.12724	8.8
189.16287	1.2
191.10635	1.2
193.10170	1.5
193.12184	1.7
194.10941	1.0
195.11739	3.5
197.13277	3.1
198.10481	1.3
199.07515	1.1
199.11168	7.5
199.14755	4.7
201.09087	1.1
201.12686	2.5
201.16371	0.8
203.10655	2.8
203.14272	4.3
205.12276	1.9
205.15866	5.5
207.11713	1.3
209.13228	3.0
211.11220	1.0
211.14841	2.3
213.09174	1.7
213.12730	4.3
213.16328	1.9
215.10649	3.0
215.14220	0.8
217.12207	11.3
218.12607	1.1
219.13696	0.9
221.13179	1.3
223.11197	1.2
223.14784	2.3
225.12753	1.2
225.16370	1.6
227.10655	2.3
227.14301	1.9
227.17854	3.3
229.12225	1.4
231.13829	1.8
235.13167	5.2
237.16402	2.7
241.12183	2.7
241.15862	1.3
241.19475	3.1
243.13757	0.9
245.11690	2.0
249.14761	0.9
251.17897	3.1
253.19756	0.9
255.13741	1.7
255.17456	9.0
257.15292	1.4
259.13141	1.6
269.16031	0.8
269.18921	6.8
273.18466	6.6
277.14392	1.8
279.17465	2.7
285.18176	1.1
287.17023	1.0
287.20020	7.1
297.18497	10.0
305.20935	0.8
314.87103	0.7
315.19531	20.4
333.20566	100.0
333.25562	10.1
334.20883	8.1
334.24725	0.9
351.21729	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	333.2061
Annotation	Isoxeniolide A
Peak:m/z	Relative Intensity
55.05505	23.3
57.03431	11.1
59.04986	5.7
59.15320	3.7
67.05498	30.9
68.86686	4.9
68.99783	6.4
69.03424	6.6
69.07054	25.4
69.77768	13.0
72.33654	4.1
79.05498	26.4
81.07050	29.6
83.04972	26.4
83.08595	14.4
85.02898	4.4
85.06506	5.7
91.05473	22.6
93.07042	38.6
95.04954	11.0
95.08605	40.5
96.08928	4.8
97.06522	7.1
98.22753	4.8
98.98457	52.1
102.89109	4.3
103.05460	4.3
105.07027	43.9
107.04959	9.7
107.08591	40.1
109.06505	11.9
109.10160	29.0
111.04417	31.6
111.08111	4.5
113.84804	4.6
115.05417	5.5
117.07009	15.5
119.08576	49.3
121.06480	22.6
121.10143	29.0
123.08032	6.8
129.07005	14.7
131.08562	29.9
133.10147	35.0
135.08032	37.3
135.11658	11.8
137.05981	12.4
137.09607	8.4
139.07497	5.4
141.06967	5.7
142.02989	8.8
142.07787	9.5
143.08578	22.3
144.09276	5.5
145.10101	35.6
147.04366	7.2
147.08058	9.3
147.11650	20.1
149.09576	30.5
149.13322	7.3
155.08516	15.1
156.09306	8.0
157.10117	35.9
159.08012	10.8
159.11679	34.3
159.89912	5.1
161.09604	18.1
161.13249	12.0
163.11139	14.0
165.09193	4.3
167.07025	12.3
167.08456	5.5
169.10095	15.0
170.10953	7.3
171.11696	35.1
173.09633	13.7
173.13274	24.1
175.11145	15.0
175.14760	15.7
176.98933	7.4
177.09105	6.5
177.12730	6.7
177.16393	4.9
179.10580	6.0
181.10059	9.5
183.11693	9.2
185.09560	9.4
185.13225	27.8
187.11156	10.3
187.14828	10.9
189.09119	7.8
189.12680	11.9
189.16357	12.5
193.10013	4.9
195.11649	22.7
197.04410	14.6
197.09653	5.0
197.13226	18.0
199.11194	9.8
199.14894	19.5
201.12883	6.2
203.10681	5.7
203.14313	19.5
205.15845	19.9
207.11629	5.7
209.13228	12.7
211.11229	5.8
211.14790	13.4
212.15576	4.4
213.12726	14.2
213.16420	12.2
217.12239	6.8
217.15732	5.6
223.11250	5.9
223.14774	11.6
227.10641	11.4
227.14104	7.4
227.17947	13.2
237.16408	10.2
241.12178	16.5
241.15828	14.0
241.19423	15.0
245.11655	5.4
251.17932	13.5
255.13803	6.3
255.17450	16.3
259.13327	5.9
259.16824	6.7
259.20685	5.3
269.15500	4.9
269.18997	28.0
273.18408	9.4
279.17380	14.9
287.20038	20.4
290.08249	8.8
297.18463	100.0
298.18823	6.4
315.19525	86.1
316.19882	8.1
333.20490	84.0
334.20746	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	333.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	23.3
57.03431	11.1
59.04986	5.7
59.15320	3.7
67.05498	30.9
68.86686	4.9
68.99783	6.4
69.03424	6.6
69.07054	25.4
69.77768	13.0
72.33654	4.1
79.05498	26.4
81.07050	29.6
83.04972	26.4
83.08595	14.4
85.02898	4.4
85.06506	5.7
91.05473	22.6
93.07042	38.6
95.04954	11.0
95.08605	40.5
96.08928	4.8
97.06522	7.1
98.22753	4.8
98.98457	52.1
102.89109	4.3
103.05460	4.3
105.07027	43.9
107.04959	9.7
107.08591	40.1
109.06505	11.9
109.10160	29.0
111.04417	31.6
111.08111	4.5
113.84804	4.6
115.05417	5.5
117.07009	15.5
119.08576	49.3
121.06480	22.6
121.10143	29.0
123.08032	6.8
129.07005	14.7
131.08562	29.9
133.10147	35.0
135.08032	37.3
135.11658	11.8
137.05981	12.4
137.09607	8.4
139.07497	5.4
141.06967	5.7
142.02989	8.8
142.07787	9.5
143.08578	22.3
144.09276	5.5
145.10101	35.6
147.04366	7.2
147.08058	9.3
147.11650	20.1
149.09576	30.5
149.13322	7.3
155.08516	15.1
156.09306	8.0
157.10117	35.9
159.08012	10.8
159.11679	34.3
159.89912	5.1
161.09604	18.1
161.13249	12.0
163.11139	14.0
165.09193	4.3
167.07025	12.3
167.08456	5.5
169.10095	15.0
170.10953	7.3
171.11696	35.1
173.09633	13.7
173.13274	24.1
175.11145	15.0
175.14760	15.7
176.98933	7.4
177.09105	6.5
177.12730	6.7
177.16393	4.9
179.10580	6.0
181.10059	9.5
183.11693	9.2
185.09560	9.4
185.13225	27.8
187.11156	10.3
187.14828	10.9
189.09119	7.8
189.12680	11.9
189.16357	12.5
193.10013	4.9
195.11649	22.7
197.04410	14.6
197.09653	5.0
197.13226	18.0
199.11194	9.8
199.14894	19.5
201.12883	6.2
203.10681	5.7
203.14313	19.5
205.15845	19.9
207.11629	5.7
209.13228	12.7
211.11229	5.8
211.14790	13.4
212.15576	4.4
213.12726	14.2
213.16420	12.2
217.12239	6.8
217.15732	5.6
223.11250	5.9
223.14774	11.6
227.10641	11.4
227.14104	7.4
227.17947	13.2
237.16408	10.2
241.12178	16.5
241.15828	14.0
241.19423	15.0
245.11655	5.4
251.17932	13.5
255.13803	6.3
255.17450	16.3
259.13327	5.9
259.16824	6.7
259.20685	5.3
269.15500	4.9
269.18997	28.0
273.18408	9.4
279.17380	14.9
287.20038	20.4
290.08249	8.8
297.18463	100.0
298.18823	6.4
315.19525	86.1
316.19882	8.1
333.20490	84.0
334.20746	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	333.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76166	0.3
55.61333	0.3
55.61613	0.3
56.39947	0.3
58.06590	0.7
60.08161	5.0
68.84505	0.3
71.07846	0.3
71.08178	0.4
73.31194	0.3
78.95636	0.6
94.92994	2.3
104.10734	100.0
105.11050	1.7
114.89304	0.5
160.09671	0.4
190.91241	0.5
206.88570	0.3
212.85196	0.4
232.92227	4.4
233.14635	0.3
248.89684	1.8
259.16342	0.4
259.28427	0.3
286.20825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13160	1.1
55.05510	1.7
57.07074	100.0
58.07399	1.6
62.98242	1.9
65.69273	1.2
69.07051	3.0
69.67709	4.1
71.08629	85.1
85.10183	47.4
89.06028	66.7
91.05492	1.4
98.98428	1.6
99.11711	3.9
107.07091	2.8
113.13281	3.2
127.79971	1.1
133.08620	10.4
143.99028	1.2
151.09656	31.3
198.30219	1.4
212.97900	3.0
229.51585	1.2
230.04396	2.2
274.45715	1.1
301.57526	1.2
302.56223	1.1
315.02301	4.0
317.04233	6.4
333.16605	2.7
333.33466	1.5
334.24585	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	334.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89015	0.3
69.79019	1.1
70.06583	0.8
72.08149	0.6
84.08123	1.4
86.09713	0.7
97.91954	0.3
98.98483	0.8
102.05591	0.4
104.05324	0.7
113.87323	0.4
135.71722	0.3
144.10133	0.4
160.16476	0.3
172.03732	2.0
175.17079	0.3
185.04201	0.6
212.44672	0.3
217.54826	0.3
222.98590	0.3
228.71474	0.3
240.82896	0.3
303.43521	0.3
316.18665	0.6
334.08932	100.0
335.09283	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	334.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64878	0.4
59.39475	0.3
69.61626	1.3
69.61983	0.5
70.06583	0.4
72.08146	0.5
78.34579	0.4
84.08131	0.8
98.97586	0.5
98.98426	0.7
110.63015	0.4
112.43938	0.4
116.08884	0.4
148.00079	0.4
172.03714	1.9
172.44345	0.4
185.04166	0.9
258.56149	0.4
293.08856	0.6
316.18597	0.8
334.08926	100.0
335.09283	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	334.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79040	1.5
56.11858	1.4
59.25387	1.3
70.06586	3.5
71.40575	2.1
72.08165	2.2
73.33763	1.2
84.08150	5.1
85.41942	1.3
86.78819	1.5
91.05473	7.3
98.98454	4.7
109.49060	1.3
116.07158	1.9
119.04941	23.4
121.01073	3.0
131.04912	1.7
136.21637	1.5
137.05972	100.0
138.06335	3.1
140.93797	1.4
144.10175	1.7
147.04393	54.9
149.00558	25.2
171.29709	1.5
179.07024	51.9
180.07423	1.5
181.03195	11.4
193.03186	3.1
197.08086	17.0
201.00307	1.6
203.50511	1.5
234.99046	1.5
249.02116	1.7
251.03610	2.4
284.76645	1.5
290.38947	1.5
292.23569	7.2
334.09546	1.6
334.24612	32.4
335.10724	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	334.1073
Annotation	Norchelerythrine
Peak:m/z	Relative Intensity
67.05478	1.2
68.99771	0.7
70.39116	0.5
70.39452	0.9
79.05469	0.9
81.07014	1.2
88.07609	0.5
91.05458	1.2
92.04989	0.7
93.07000	1.0
95.08575	1.3
104.32271	0.4
105.03405	0.9
105.04515	6.1
106.06541	1.1
118.06526	2.3
120.04454	5.3
128.04933	0.6
131.04916	1.0
132.04469	0.6
133.03967	0.9
134.05046	0.5
134.06012	4.6
145.66789	0.4
146.05978	1.4
147.05457	0.8
156.04443	0.8
159.56834	0.4
160.03963	1.1
161.03464	20.3
162.05481	9.1
164.03416	8.2
174.04005	0.8
174.05487	11.2
177.01891	0.5
186.05473	1.7
187.92809	0.5
188.03413	1.7
192.06555	1.1
202.04990	7.9
203.04507	1.7
212.97867	2.3
220.05983	0.5
220.17831	0.8
230.04466	100.0
231.03969	22.1
248.05536	8.5
292.09668	1.4
317.04114	2.5
333.32047	0.5
334.10715	96.8
334.24576	4.6
335.10764	8.6
335.26147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74051	0.3
61.33804	0.3
63.39110	0.3
65.86781	0.3
69.92880	0.5
69.93246	0.5
70.06562	0.7
80.04990	0.6
91.05473	0.5
92.04958	0.3
96.44774	0.3
103.05464	0.4
105.04518	4.0
106.05283	0.8
107.06074	2.1
119.06045	1.9
129.04477	0.7
130.08633	0.7
131.04915	1.7
131.06027	1.0
132.05573	14.8
133.03987	1.4
133.05876	0.4
134.07141	2.7
135.05537	3.3
141.04498	0.6
145.03961	0.7
146.07129	3.4
147.05528	3.6
148.03915	0.5
156.05585	0.6
157.03998	0.3
158.07095	0.4
160.05042	7.5
161.03456	10.0
162.06616	9.9
168.05510	0.4
174.06624	4.4
175.04996	1.5
184.05014	0.5
186.06610	6.4
188.04550	10.2
202.06125	3.4
203.04480	3.0
212.96121	0.3
212.97806	1.5
213.03026	0.7
230.05598	100.0
231.03990	9.2
231.05983	3.0
306.12375	0.3
317.04135	2.0
329.03519	0.6
334.11844	45.8
335.12805	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	334.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74051	0.3
61.33804	0.3
63.39110	0.3
65.86781	0.3
69.92880	0.5
69.93246	0.5
70.06562	0.7
80.04990	0.6
91.05473	0.5
92.04958	0.3
96.44774	0.3
103.05464	0.4
105.04518	4.0
106.05283	0.8
107.06074	2.1
119.06045	1.9
129.04477	0.7
130.08633	0.7
131.04915	1.7
131.06027	1.0
132.05573	14.8
133.03987	1.4
133.05876	0.4
134.07141	2.7
135.05537	3.3
141.04498	0.6
145.03961	0.7
146.07129	3.4
147.05528	3.6
148.03915	0.5
156.05585	0.6
157.03998	0.3
158.07095	0.4
160.05042	7.5
161.03456	10.0
162.06616	9.9
168.05510	0.4
174.06624	4.4
175.04996	1.5
184.05014	0.5
186.06610	6.4
188.04550	10.2
202.06125	3.4
203.04480	3.0
212.96121	0.3
212.97806	1.5
213.03026	0.7
230.05598	100.0
231.03990	9.2
231.05983	3.0
306.12375	0.3
317.04135	2.0
329.03519	0.6
334.11844	45.8
335.12805	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.3
69.03415	1.8
70.06583	2.0
71.64355	1.3
81.03414	1.4
84.08126	3.1
85.02907	5.2
94.04166	2.0
97.02885	1.3
98.98485	2.8
100.98911	1.6
108.08095	2.6
109.02818	1.4
122.03622	6.0
130.45772	1.3
132.54726	1.2
137.05975	100.0
138.06313	2.2
151.03873	1.5
229.39441	1.3
241.61485	1.5
334.08322	6.3
334.11826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59932	0.2
54.35307	0.2
55.05504	0.6
56.05019	0.4
56.96549	0.3
57.03429	0.9
57.07075	9.1
58.06601	2.6
63.66786	0.2
64.24732	0.2
67.05505	1.6
68.20204	0.2
69.07049	0.5
69.08915	1.4
71.07372	1.8
71.08263	0.4
71.08625	4.1
79.05481	0.7
80.20169	0.2
81.07056	1.3
83.08581	0.2
84.08138	17.6
85.08465	0.5
85.10181	1.9
91.05465	0.6
93.01064	0.7
93.07037	0.9
95.08580	1.4
105.07046	0.6
107.08574	0.6
109.10130	0.6
119.08578	0.6
120.05760	15.3
123.11774	0.2
131.08492	0.2
133.10107	0.6
136.05232	1.7
138.06795	19.5
139.07120	0.4
147.11771	0.2
159.11707	0.3
161.79848	0.2
185.13280	0.3
195.71246	0.2
242.28450	1.1
313.23163	0.2
316.16605	0.3
334.28674	100.0
335.21768	0.6
335.29285	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	334.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31669	0.6
56.96560	1.0
57.03414	1.1
57.07072	10.0
58.06592	3.8
67.05500	2.0
69.51218	0.7
69.65842	0.7
71.07352	2.1
71.08617	3.3
79.05483	1.0
81.07051	1.8
84.08134	15.8
84.08601	1.4
85.10191	1.7
91.05494	0.8
93.07047	1.2
95.08612	1.3
105.06992	1.2
107.08674	0.8
119.08566	0.8
120.05767	13.2
136.05212	2.3
138.06787	20.7
145.10052	0.8
242.28510	1.4
316.16632	2.1
334.17618	2.8
334.28668	100.0
335.22305	4.2
335.29129	6.3
352.18771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25639	1.6
56.96561	5.7
61.03745	1.7
67.16374	1.6
69.03416	7.3
70.06586	11.7
70.77757	2.8
72.08163	3.2
74.93156	2.5
77.47982	1.7
80.05016	1.8
81.03441	2.9
84.04501	4.1
84.08146	10.7
85.02916	3.8
86.09697	2.0
87.04485	4.5
97.02910	12.4
98.97582	7.1
98.98469	17.5
101.00864	21.1
110.49035	1.6
110.97573	2.0
112.07634	4.3
113.00876	5.7
115.02413	3.4
116.98647	3.5
119.01917	33.9
120.08079	5.2
123.05537	37.9
128.98601	2.0
129.03976	2.6
129.10217	2.1
131.01910	20.9
131.05557	7.6
133.03490	4.7
133.04994	3.0
137.02954	3.4
143.01892	68.1
144.02159	2.1
145.03476	7.0
147.05005	3.0
149.03003	2.4
149.06573	10.3
155.01903	26.7
155.05495	3.7
156.11317	3.2
157.03542	2.4
159.05042	4.9
161.02951	100.0
162.03133	3.4
165.06053	2.2
173.03038	24.1
173.06590	31.7
175.12013	2.3
177.06084	3.7
185.02936	2.3
185.06583	26.9
187.08153	6.0
190.05243	3.1
191.07680	8.3
203.04022	8.3
203.07608	21.0
205.09230	2.2
209.51790	1.7
215.07602	12.7
218.09483	1.9
219.01837	5.5
221.05037	19.6
223.04985	2.2
227.07690	2.2
233.08725	3.6
237.02849	5.3
237.98698	2.4
245.04800	2.1
254.95158	2.1
257.08640	5.8
261.03674	2.8
275.07056	3.5
275.09778	38.9
289.09445	3.5
293.10785	86.1
294.10919	5.2
310.90872	3.5
310.99490	2.4
335.07416	19.8
335.11832	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	335.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25639	1.6
56.96561	5.7
61.03745	1.7
67.16374	1.6
69.03416	7.3
70.06586	11.7
70.77757	2.8
72.08163	3.2
74.93156	2.5
77.47982	1.7
80.05016	1.8
81.03441	2.9
84.04501	4.1
84.08146	10.7
85.02916	3.8
86.09697	2.0
87.04485	4.5
97.02910	12.4
98.97582	7.1
98.98469	17.5
101.00864	21.1
110.49035	1.6
110.97573	2.0
112.07634	4.3
113.00876	5.7
115.02413	3.4
116.98647	3.5
119.01917	33.9
120.08079	5.2
123.05537	37.9
128.98601	2.0
129.03976	2.6
129.10217	2.1
131.01910	20.9
131.05557	7.6
133.03490	4.7
133.04994	3.0
137.02954	3.4
143.01892	68.1
144.02159	2.1
145.03476	7.0
147.05005	3.0
149.03003	2.4
149.06573	10.3
155.01903	26.7
155.05495	3.7
156.11317	3.2
157.03542	2.4
159.05042	4.9
161.02951	100.0
162.03133	3.4
165.06053	2.2
173.03038	24.1
173.06590	31.7
175.12013	2.3
177.06084	3.7
185.02936	2.3
185.06583	26.9
187.08153	6.0
190.05243	3.1
191.07680	8.3
203.04022	8.3
203.07608	21.0
205.09230	2.2
209.51790	1.7
215.07602	12.7
218.09483	1.9
219.01837	5.5
221.05037	19.6
223.04985	2.2
227.07690	2.2
233.08725	3.6
237.02849	5.3
237.98698	2.4
245.04800	2.1
254.95158	2.1
257.08640	5.8
261.03674	2.8
275.07056	3.5
275.09778	38.9
289.09445	3.5
293.10785	86.1
294.10919	5.2
310.90872	3.5
310.99490	2.4
335.07416	19.8
335.11832	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	335.0947
Annotation	7-Hydroxychlorpromazine
Peak:m/z	Relative Intensity
60.08161	0.7
60.21040	0.5
70.06601	0.7
70.89372	0.8
71.60760	0.6
74.02363	0.5
78.95648	1.1
83.02217	0.6
86.79900	0.6
94.93020	5.4
96.92811	3.7
104.10752	2.7
105.11086	0.8
112.89622	6.2
114.89339	1.5
123.05572	0.6
125.82654	0.5
139.91476	1.8
141.91315	0.7
158.03551	0.6
160.09709	1.6
186.95468	0.7
192.91028	1.0
196.87892	0.6
203.05147	1.2
215.05247	0.6
231.93965	0.9
232.92209	4.4
233.92815	2.3
234.92076	6.8
235.05743	2.9
249.90314	0.9
250.89490	2.8
260.89651	1.4
261.92828	1.6
335.09558	100.0
336.09982	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	335.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23184	0.6
56.32918	0.7
58.47617	0.6
69.24188	3.0
70.06592	5.5
71.06919	1.4
79.01859	1.4
91.05465	1.5
92.04969	1.0
93.06943	0.6
103.05478	4.0
105.04514	24.1
105.07026	1.0
106.05341	0.8
107.01317	7.6
107.06081	2.0
115.05468	1.6
119.06060	1.4
120.04455	0.8
130.08641	6.0
131.04932	14.7
131.08968	2.7
132.05264	4.8
133.03964	4.6
134.04736	1.7
135.05513	2.2
147.05508	8.7
148.03925	4.4
159.05507	1.1
161.03462	74.2
162.03841	1.2
163.05008	2.9
175.05023	2.1
187.05013	0.7
189.05409	1.2
193.01175	0.7
197.05907	0.9
202.99739	1.5
203.04515	15.0
205.06105	3.0
211.07439	0.8
215.06909	0.7
221.00784	6.0
230.05545	1.5
231.03999	100.0
232.04309	2.7
258.58255	0.8
289.21671	1.5
307.05972	2.1
335.10226	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	335.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01839	0.9
67.05488	0.7
68.99779	1.4
69.07042	0.8
79.01835	1.8
79.05480	0.6
80.04989	1.9
81.03374	0.6
82.13578	0.5
91.05463	2.2
92.04965	1.2
93.07009	0.7
95.01319	0.5
95.04961	1.1
103.05467	11.2
105.03421	1.1
105.04514	23.3
105.06973	0.5
106.05331	1.0
107.01312	9.1
107.05523	0.6
107.06081	6.5
109.03993	1.3
115.05439	0.7
119.06050	1.6
119.08607	0.8
120.04440	0.6
121.10149	0.6
126.05517	2.5
126.63950	0.6
129.04456	1.5
131.04926	24.4
132.05267	0.9
133.03944	4.4
134.04718	2.2
135.05539	9.4
141.01802	0.8
145.10129	0.6
147.04401	1.4
147.05510	7.1
148.03905	4.7
152.94305	0.5
153.01833	1.0
159.05530	1.1
161.03461	79.2
162.03766	1.7
163.05025	12.8
171.04477	1.4
173.09633	0.5
175.05028	1.8
177.01840	0.9
177.06616	1.8
179.04498	0.9
185.03552	0.5
187.04982	1.3
189.01706	0.7
189.15060	0.5
190.01308	0.8
202.99823	1.3
203.04518	15.8
204.02946	1.0
205.06108	16.8
206.06709	2.0
207.02896	2.6
218.11690	0.6
221.00809	6.8
231.03998	100.0
232.02351	2.9
232.04013	2.5
232.06219	1.0
234.06331	1.5
239.01836	0.8
243.02989	0.9
249.05136	1.1
255.02916	1.0
262.05850	1.5
271.02399	2.9
271.13235	0.6
273.03934	0.6
289.03491	0.6
289.06860	0.8
289.21643	1.0
290.05331	0.7
293.08066	2.4
299.01886	0.9
299.05325	1.0
307.05801	3.0
317.02957	1.0
317.09415	0.9
323.79404	0.7
325.09106	1.0
335.03958	1.0
335.10370	18.0
336.08600	1.0
336.12222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64048	1.1
51.24228	1.1
56.96535	1.5
69.03421	3.3
69.65558	2.0
69.65903	3.3
70.06576	3.4
71.23502	1.0
77.19466	1.0
82.99840	2.9
87.04428	1.4
94.99857	1.2
97.02872	3.3
98.97590	5.4
98.98435	6.4
101.00873	19.4
102.00963	1.1
103.02406	1.9
106.63983	1.2
110.97552	1.5
113.00858	7.1
115.02402	4.5
116.98592	2.5
119.01910	36.4
120.08096	3.1
123.05540	14.2
127.02305	1.5
129.03954	2.3
131.01894	19.6
131.05513	10.7
133.03424	5.8
134.06488	1.2
137.00812	1.9
137.02870	3.2
137.03937	1.2
143.01883	70.2
144.02037	3.1
145.03424	7.3
147.01331	1.6
147.04996	4.0
149.02969	2.6
149.06572	9.8
155.01877	26.4
155.05507	3.2
156.02657	1.7
157.03447	3.9
159.05002	3.6
161.02943	81.7
162.02982	4.1
169.07094	1.5
171.04945	2.7
173.02994	20.9
173.05150	2.0
173.06567	30.7
174.06801	1.7
175.04453	1.9
177.06123	5.7
184.04485	1.3
185.02977	1.7
185.06578	37.1
185.08255	1.8
186.06738	1.7
187.08136	7.4
191.07602	10.5
197.06535	2.6
199.08089	4.1
201.06049	2.0
203.04007	8.6
203.07642	19.6
204.07742	1.5
209.06622	1.8
215.07597	16.3
219.01711	2.6
221.05034	22.8
222.05302	1.5
227.07611	4.5
233.08641	4.5
237.02777	2.4
245.05081	1.3
252.08604	1.3
257.08676	4.8
275.09735	47.6
276.09973	3.9
282.25757	1.1
289.05984	1.8
293.10779	100.0
294.11017	5.3
307.06924	1.6
312.07507	1.5
316.12323	1.4
335.07297	2.2
335.11957	50.7
336.12280	2.6
353.07443	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	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66989	0.7
53.03954	0.7
55.05510	0.8
56.32444	0.6
58.06598	1.8
65.03937	4.0
67.05503	6.7
69.03423	1.0
69.07062	100.0
70.07404	1.8
79.05489	2.0
80.05015	0.8
81.03387	0.8
81.05817	0.8
81.07043	6.0
82.40881	0.6
84.08158	1.3
85.06542	1.3
91.05479	6.1
92.05004	5.0
92.05821	2.2
93.05808	1.3
93.07033	2.1
94.06561	3.5
95.04971	1.9
95.08596	1.5
96.08128	0.8
97.05925	0.6
97.06529	16.3
105.07036	1.1
106.06474	0.7
109.06498	1.8
110.05979	0.9
117.07040	0.8
119.03693	1.3
119.04943	0.8
119.08595	1.4
120.04483	1.0
121.02876	3.2
121.05281	1.2
121.06485	1.2
122.06022	10.1
124.07584	3.2
125.06000	1.5
127.05804	0.8
130.06525	0.9
131.06372	0.6
131.07301	1.3
131.08563	1.1
134.06042	0.7
137.05956	3.4
138.05504	5.6
140.07062	8.2
141.07832	0.8
143.07292	0.7
144.08092	1.6
145.06509	0.9
145.08867	3.0
145.10127	2.4
146.06021	1.0
146.09650	3.9
147.04404	1.4
147.06798	1.1
148.03946	3.5
148.09770	0.9
150.05489	81.1
151.05904	2.4
152.03452	0.9
157.08859	3.4
157.10027	0.8
158.06027	0.8
158.09657	1.7
159.10426	2.0
160.07547	1.4
160.11183	1.2
161.04478	0.8
161.08321	3.6
162.09152	2.4
163.05092	0.8
164.03439	1.1
166.04980	34.8
167.05412	0.8
168.06523	1.6
170.06049	0.8
170.09628	1.4
171.66238	0.7
172.07591	2.1
172.11264	5.6
173.08353	1.8
173.09634	0.7
174.12738	5.4
176.03432	9.8
178.05009	2.2
182.09720	0.7
184.07582	0.8
185.08394	1.8
186.05475	0.8
186.07588	1.2
188.10669	1.3
189.03978	1.5
190.08614	1.1
190.12280	4.8
194.04445	4.1
198.07811	1.4
200.06918	1.6
200.10718	8.1
202.12265	8.4
204.10199	0.9
213.10258	1.1
216.10182	4.3
218.08313	2.0
218.11734	31.0
219.12152	1.3
226.08745	1.1
227.11740	0.9
228.10202	15.1
229.10446	0.9
229.13220	1.4
230.11731	0.7
234.11258	2.9
242.10489	1.0
243.11337	1.4
244.06093	0.9
244.09744	1.7
245.04469	3.0
245.12897	2.1
246.11227	24.3
247.11528	1.0
255.11320	1.2
256.09735	2.1
257.09280	0.7
261.12344	0.8
262.10742	0.9
271.10764	4.6
271.20419	0.8
272.09061	3.8
273.12329	2.9
274.10739	2.5
287.10266	8.8
288.10956	0.9
289.11813	9.9
290.10025	1.4
291.13306	1.0
299.10193	5.9
307.03906	0.8
317.11301	24.7
320.04358	2.3
334.27359	1.4
335.03220	3.5
335.12299	16.5
335.27692	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	1.1
67.05508	1.1
69.07060	1.0
69.91329	1.1
69.91660	0.8
81.07047	1.2
91.05472	1.1
93.07017	0.8
95.08620	1.4
95.59485	0.6
96.21268	0.5
105.07003	0.8
107.08566	0.7
109.06528	0.8
110.48024	0.6
121.10119	1.0
131.08530	1.1
160.95593	0.6
165.12738	0.6
167.55830	0.7
190.91690	0.6
205.08832	0.6
224.21033	0.5
317.21054	0.9
335.05258	3.9
335.21872	100.0
336.22186	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	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.6
56.25359	0.4
57.03443	0.6
65.26921	0.5
67.05495	4.6
69.07072	1.1
70.71326	0.9
79.05499	2.5
81.07060	4.7
89.59056	0.6
91.05487	1.3
93.07036	4.0
95.04951	0.6
95.08591	4.4
105.07025	1.6
105.40241	0.6
107.08566	2.7
108.22814	0.6
109.10143	2.6
119.08569	1.4
121.10133	1.9
131.08601	0.9
133.10123	1.4
135.11682	1.1
145.10130	1.8
157.10110	0.6
159.11797	1.1
163.14870	0.7
169.10127	0.9
195.09962	3.2
201.16464	0.7
209.13243	0.6
215.24011	0.6
261.22235	0.7
279.21091	0.7
313.95282	0.5
335.21902	100.0
335.26105	5.9
336.22205	4.8
341.70544	0.6
349.26630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
62.58948	0.3
70.93491	0.4
109.82306	0.3
121.09356	0.4
123.01267	0.3
139.83366	0.3
156.61778	0.4
167.83015	0.3
195.09958	1.9
335.21906	100.0
336.22269	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	0.6
69.89342	1.5
80.67019	0.4
81.07036	0.8
88.07609	0.9
93.07070	0.7
98.22729	0.7
107.08581	0.7
119.08523	0.5
243.25029	0.7
270.52536	0.6
279.39462	0.4
317.20865	1.2
335.21890	100.0
336.22202	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92959	0.3
70.03699	0.6
70.04039	0.6
72.95010	0.4
81.07021	0.5
93.07005	0.5
95.08645	0.6
100.46891	0.4
107.08618	0.4
116.73090	0.4
159.34483	0.4
195.09940	1.1
240.16609	0.4
335.21902	100.0
336.22223	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	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.05509	7.3
56.72224	0.8
57.03432	3.4
57.07079	1.0
59.41733	0.7
65.03954	1.2
67.05497	17.0
69.07061	7.2
77.03948	0.8
79.05494	13.3
81.03433	0.9
81.06570	1.3
81.07049	27.5
83.08624	2.9
91.05473	11.0
91.89870	0.8
93.07037	19.9
95.04967	2.2
95.08599	24.1
97.10189	1.2
105.07021	19.2
107.08583	16.4
109.06506	1.1
109.10161	11.8
117.07019	3.4
119.08569	18.9
121.10137	9.5
123.11726	3.3
129.05496	1.2
129.06976	2.3
130.07756	1.3
131.08559	10.7
133.10130	11.6
135.11678	5.4
142.07767	1.9
143.08574	7.4
144.09335	1.1
145.10117	12.4
147.11665	9.1
149.13260	2.7
154.66721	0.8
155.08501	4.0
156.09360	1.6
157.10135	8.8
159.11682	11.5
161.13231	4.4
163.14828	1.6
165.06987	1.1
167.08406	1.3
169.10132	6.5
170.10883	1.5
171.11665	7.2
173.13237	8.2
175.14877	3.5
177.16458	1.1
181.10136	3.7
182.10822	1.5
183.11729	7.1
184.12419	0.9
185.13245	7.2
187.14815	5.7
189.16348	0.9
193.10271	0.9
195.11617	5.4
197.13237	6.2
199.14795	7.1
201.16389	3.8
203.18018	0.9
208.12457	1.0
209.13281	4.9
211.14781	7.5
213.16415	5.1
215.17799	1.0
222.95148	0.9
223.14877	4.3
225.16331	6.1
227.17859	4.7
229.19478	1.0
235.14868	1.1
237.16350	4.7
238.17169	0.9
239.17911	5.1
241.19469	3.5
243.21127	2.9
250.17256	0.8
251.17995	5.2
253.19521	3.6
255.20891	1.3
260.37186	0.8
261.22110	1.5
265.19363	5.1
267.20990	1.5
279.21021	5.9
280.21649	0.9
293.22556	3.6
307.24057	1.9
335.21915	100.0
335.27209	77.0
336.22156	5.8
336.27765	4.7
344.99869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2214
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
55.05501	12.1
55.84653	3.8
57.03435	7.7
67.05495	44.7
69.07054	26.3
73.49332	3.5
79.05489	19.8
81.07053	60.9
83.04930	3.5
91.05477	32.7
93.01073	4.4
93.07038	43.9
95.04951	10.2
95.08597	48.4
97.02898	5.6
97.06511	20.7
99.00811	5.4
105.07019	25.1
107.08578	48.0
109.06532	8.7
109.10145	100.0
111.08069	5.4
119.04924	7.3
119.08567	30.2
120.08101	63.3
121.02871	12.4
121.10143	30.0
123.11690	6.7
127.01563	8.8
131.08553	9.0
133.10103	30.5
135.08034	30.2
135.11705	25.9
137.09633	9.5
137.13249	4.1
143.08565	5.6
145.10123	16.0
147.04395	8.9
147.11676	16.9
149.09602	13.1
151.11165	9.5
153.09094	9.0
155.06972	5.0
157.10135	8.7
159.11661	19.1
161.09641	7.2
161.13245	8.0
163.11151	15.8
163.14819	11.8
166.08632	8.0
167.10852	3.8
169.10104	7.1
171.11633	8.7
173.05956	3.8
173.09634	5.6
173.13220	8.8
175.14792	4.4
179.10681	7.3
181.12250	6.3
183.11713	4.7
185.13216	4.6
187.11206	4.5
187.14841	13.6
189.12872	3.9
189.16364	5.9
191.10783	6.6
197.13295	7.8
201.16400	6.2
202.98711	5.8
205.15840	13.7
209.11761	7.5
211.14828	6.3
239.17865	4.3
243.13925	5.3
245.04434	16.8
253.19681	6.3
271.20593	13.5
281.19073	6.1
289.08609	6.6
299.20032	26.3
303.00250	4.6
307.09598	6.8
317.08160	6.0
317.21085	54.8
335.03329	18.3
335.08783	18.0
335.22141	12.7
348.67191	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	335.2215
Annotation	Resolvin E2
Peak:m/z	Relative Intensity
55.01851	4.0
55.05505	17.9
57.07061	2.3
59.73031	1.9
65.03925	3.9
67.05499	43.8
69.03419	5.5
69.07066	20.4
69.91357	4.2
71.04986	3.9
72.42581	2.0
79.05482	15.0
81.03425	4.2
81.07051	50.7
83.04975	12.6
83.08604	8.1
85.02911	3.4
85.06536	2.8
91.05470	22.6
93.06455	2.7
93.07037	42.7
94.06514	2.1
95.04926	12.9
95.08602	73.9
95.09215	4.3
96.08923	2.0
97.06517	3.5
104.21882	2.1
105.07021	31.0
107.04922	2.7
107.08589	42.7
109.06531	11.3
109.10153	48.6
111.04424	30.2
111.08080	7.3
117.06995	7.1
119.08570	84.0
121.06540	12.7
121.10134	36.9
123.08076	14.6
123.10862	3.7
123.11702	34.4
125.09630	3.7
129.06984	5.1
131.08542	13.5
133.06471	4.3
133.10124	40.0
134.10493	2.9
135.08028	18.6
135.11685	14.0
137.09599	30.1
137.13219	4.0
139.07541	16.3
141.07002	2.5
142.07735	3.2
143.08533	8.6
145.06422	2.4
145.10115	21.5
147.08041	7.8
147.11679	18.5
149.09569	6.1
149.13226	28.9
151.11185	17.9
153.09113	3.9
155.08553	4.5
156.09293	3.6
157.10121	16.4
159.08057	4.1
159.11679	28.2
161.09627	8.9
161.13280	18.5
163.11195	10.6
163.14761	3.3
164.07022	3.0
165.12750	2.9
169.10106	9.2
171.11700	14.2
173.09618	4.8
173.13243	16.4
175.07608	2.7
175.11180	4.7
175.14812	7.7
177.09145	4.7
177.12700	24.3
179.14272	9.1
183.11717	12.5
185.09622	3.4
185.13239	7.8
187.11168	7.6
187.14749	13.4
189.12802	7.6
189.16289	3.1
191.10654	4.6
191.14326	5.8
193.08704	2.9
197.13242	10.5
199.11124	3.2
199.14775	7.8
201.12747	8.1
201.16345	10.9
203.10747	2.6
203.14328	7.0
205.12248	3.0
205.15854	7.8
206.16661	2.8
207.17381	9.4
209.13321	3.7
210.13885	2.5
211.11116	3.2
211.14824	8.3
212.20314	2.1
213.12616	3.2
213.16354	4.8
215.10574	3.8
215.14308	7.8
215.17812	2.8
217.12247	4.3
219.13773	2.5
221.15385	3.9
225.12721	3.0
227.18047	2.7
229.12257	9.9
229.15947	6.2
229.19203	3.9
231.13779	4.3
233.15251	4.4
235.13205	3.2
237.16449	3.2
239.14180	3.5
239.17986	9.1
243.13776	6.4
245.04507	2.5
247.13354	8.0
253.19470	10.1
257.15277	3.9
257.19012	7.4
261.14841	4.7
271.20514	23.0
281.18976	14.3
289.21539	15.1
299.20059	47.4
300.20285	4.0
317.21078	100.0
317.24783	5.0
318.21387	6.5
335.03354	3.6
335.22110	73.8
336.22510	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	335.2217
Annotation	Resolvin E2
Peak:m/z	Relative Intensity
55.01859	2.6
55.05516	17.3
56.25430	2.1
57.01994	2.0
57.07059	7.2
58.42783	2.3
65.03947	4.4
67.05501	43.0
69.03421	4.6
69.07058	22.7
70.06590	3.1
71.43433	2.7
75.00038	3.7
79.05486	19.3
81.03419	5.0
81.07050	43.9
83.04965	9.9
83.08625	13.6
85.02880	3.0
85.06533	3.6
86.09696	13.9
91.05467	24.1
93.07047	39.9
95.04960	10.4
95.08599	71.8
97.06526	2.5
103.05527	2.8
105.07021	31.3
107.04955	4.1
107.08582	48.1
107.09257	4.0
109.06496	7.3
109.10146	46.3
111.04440	30.4
111.08086	6.9
117.07019	9.1
119.05002	2.9
119.08571	83.1
120.08099	34.3
121.02843	10.5
121.06483	15.1
121.10130	30.3
123.08057	12.5
123.11712	29.8
127.03890	2.9
128.06204	4.0
129.07030	4.8
131.08568	13.9
132.10178	2.8
133.10107	31.1
135.08040	17.1
135.11684	8.6
137.05952	2.3
137.09615	31.5
137.13235	2.4
139.07544	12.5
141.07008	2.3
142.07799	5.0
143.08548	9.9
143.11778	3.1
145.06491	2.7
145.10129	26.2
147.04501	2.5
147.08058	5.1
147.11678	19.7
149.09634	9.2
149.13243	26.6
151.11113	17.4
153.09085	3.1
155.08557	6.1
156.09467	2.9
157.10144	13.4
159.08069	6.6
159.11696	21.9
161.09644	7.6
161.13229	15.4
163.11119	5.6
163.14882	3.0
165.09074	2.7
165.12775	2.8
169.10121	9.4
170.10780	2.2
171.11642	11.9
173.09636	5.5
173.13271	14.9
175.11203	5.1
175.14836	8.3
177.10278	16.5
177.12704	21.4
179.14297	8.1
183.11633	14.4
184.12498	2.3
185.09656	3.5
185.13251	8.9
187.11139	6.4
187.14819	9.2
189.12737	7.7
189.16344	5.9
191.10629	4.3
191.14230	3.9
193.08577	3.7
197.13242	10.6
199.14832	6.2
201.12750	8.9
201.16420	12.0
203.10652	2.7
203.14252	8.2
205.09695	3.5
205.12315	3.5
205.15860	7.8
207.17435	9.0
211.11258	4.7
211.14836	6.5
213.16290	3.9
215.01778	3.0
215.10641	3.9
215.14294	7.3
221.15329	3.1
225.12769	3.0
229.12236	6.3
229.15794	6.0
229.19432	5.1
231.13754	2.8
233.15474	4.7
237.16399	3.9
239.14201	5.3
239.17903	7.5
243.13823	7.2
243.21004	4.9
247.13286	5.1
253.19507	9.5
255.06520	6.0
257.15515	3.5
257.19107	7.4
261.14786	5.3
271.20538	27.1
275.19907	3.0
281.18970	13.3
289.02701	3.7
289.21588	18.5
299.20016	44.9
316.47964	2.6
317.09048	4.1
317.21066	100.0
318.21390	6.9
335.03064	23.4
335.09024	3.6
335.22131	76.1
336.22491	7.5
355.39362	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	335.2217
Annotation	Resolvin E2
Peak:m/z	Relative Intensity
50.77827	2.2
52.69979	2.3
55.01867	4.3
55.05503	17.3
57.07063	5.1
59.05008	3.3
59.30556	2.4
60.50983	2.3
65.03941	6.7
67.05497	59.5
68.94792	2.3
68.99780	2.7
69.03416	7.1
69.07056	27.1
71.04975	2.7
78.45705	2.3
79.05484	21.4
81.03404	7.9
81.07054	55.3
83.04973	13.0
83.08621	14.1
91.05464	24.3
93.07041	55.6
94.07374	3.4
95.04948	11.0
95.08603	92.4
97.02908	2.8
97.06514	8.4
99.00819	2.6
103.05452	3.0
105.07016	43.4
107.04960	4.9
107.07921	4.4
107.08585	54.5
108.08931	5.1
109.06514	11.8
109.10161	57.4
110.10445	4.2
111.04436	33.1
111.08067	10.8
117.06998	11.2
119.04919	3.8
119.08575	92.7
121.02839	4.5
121.06504	18.5
121.10129	38.5
123.08066	16.6
123.11681	40.1
126.01061	3.1
129.07004	3.9
131.08556	19.4
133.06430	4.6
133.10124	45.2
135.08061	17.5
135.11652	11.9
137.09605	38.0
139.07538	13.0
141.06956	3.4
142.07742	4.7
143.08531	9.0
144.09317	2.6
145.10106	30.3
147.08035	7.7
147.11679	23.4
149.09618	8.6
149.13255	36.6
151.11160	22.8
155.08516	5.5
156.09297	3.2
157.10127	21.1
158.10852	3.3
159.08064	5.4
159.11691	27.9
161.09601	7.6
161.13223	21.9
163.07581	14.8
163.11208	15.9
163.14771	6.2
165.09068	2.6
169.10147	14.3
170.10815	2.6
171.11647	11.4
173.09584	6.9
173.13239	17.1
175.11133	7.5
175.14804	8.5
177.09132	4.4
177.12758	25.6
179.14272	12.0
181.08568	8.7
183.11644	11.5
185.09616	3.7
185.13263	10.3
187.11145	6.9
187.14722	15.3
189.12779	6.3
189.16422	5.4
191.10654	3.7
191.14264	5.1
193.08630	5.1
193.12152	3.4
195.11739	4.4
197.13252	15.3
199.11195	5.0
199.14713	5.7
201.12689	10.2
201.16382	17.7
203.10718	4.9
203.14229	12.5
205.12170	4.0
205.15910	6.4
207.17444	7.8
211.11145	2.7
211.14781	7.0
213.16321	3.3
215.10619	4.7
215.14275	6.7
217.12251	3.9
219.13718	3.4
229.12280	11.7
229.15854	6.0
229.19464	5.6
231.13704	3.9
233.15320	4.8
235.13171	5.2
237.16498	2.9
239.14236	3.4
239.17972	9.5
243.13701	8.4
243.21034	6.1
245.04385	9.7
247.13242	7.8
253.19406	13.6
255.20781	3.5
257.15237	5.1
257.18930	11.6
259.20636	3.8
261.14877	7.2
271.20572	25.8
275.20050	6.1
281.18951	14.4
289.21646	17.9
299.20004	53.7
300.10199	3.1
300.20340	4.5
317.21091	100.0
318.21457	8.2
335.03601	4.2
335.09192	3.5
335.18170	5.4
335.22198	89.7
336.22610	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02371	0.8
53.03946	1.8
55.01867	1.5
55.05508	21.8
55.33528	0.8
56.86349	0.7
57.03434	26.2
57.07070	4.5
58.06607	1.4
59.04994	0.7
59.87896	0.8
60.66987	0.8
65.03930	3.7
67.05500	99.0
68.05816	1.4
68.55521	0.8
69.06707	1.3
69.07063	17.8
70.04105	1.0
70.04477	2.2
71.04983	2.2
71.08634	1.6
77.03931	0.9
79.05487	51.4
80.05837	1.0
81.07052	92.4
82.07388	2.4
83.04977	2.1
83.08624	8.4
85.06539	2.7
89.06024	1.3
91.05473	27.8
92.05814	2.6
93.07040	53.2
94.07359	1.7
95.04950	7.0
95.08601	73.7
96.08920	1.7
97.06525	3.1
97.10171	3.8
98.23533	0.8
99.08041	1.0
105.04517	2.4
105.07025	19.4
107.08586	29.9
108.08860	0.9
109.06504	2.5
109.10150	33.2
110.10474	0.9
111.08062	1.8
117.07009	5.7
119.08569	16.6
121.10137	23.9
122.10461	0.9
123.08093	1.6
123.11707	12.5
129.05458	1.3
129.06982	1.3
131.08566	12.5
133.08597	1.0
133.10126	13.5
135.11690	18.8
137.09598	0.8
137.13268	4.4
139.11214	1.2
143.08562	1.7
145.10109	12.0
147.11682	10.1
149.09496	0.7
149.13243	10.4
151.14807	1.3
155.08495	1.1
157.10097	1.9
159.11693	8.5
161.13249	7.4
163.11160	1.0
163.14787	4.5
169.10019	1.0
171.11652	2.0
173.13235	9.0
175.14833	2.8
177.12770	0.9
177.16373	1.8
179.14304	0.9
185.13147	1.1
187.14799	3.5
189.16315	0.8
197.13187	1.4
199.14755	1.2
201.16333	2.1
203.07770	0.8
205.15807	1.1
222.52985	0.9
225.16492	0.9
243.21109	8.1
261.22137	12.9
277.21732	1.0
279.23135	1.2
317.24759	4.0
335.25742	100.0
335.33728	3.9
336.26022	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	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01891	1.2
52.54846	0.8
53.03939	1.1
55.01865	1.1
55.05508	14.8
57.03433	12.5
57.07059	1.4
57.10216	0.8
61.46486	0.9
63.29833	0.8
65.03926	3.3
67.05503	51.2
68.44730	0.9
68.99771	1.1
69.07063	10.9
70.56586	1.7
71.04977	0.9
79.05493	25.6
80.05003	0.8
81.07055	42.6
82.07366	1.4
83.04987	1.7
83.08626	4.3
83.53822	0.8
85.06515	1.3
91.05471	12.8
92.01370	1.4
92.05032	0.8
92.99765	2.7
93.07040	27.3
95.04984	4.8
95.08602	32.3
97.06511	1.5
97.10150	1.6
104.01328	1.6
105.04514	32.8
105.07025	6.9
107.08590	11.2
109.06531	1.2
109.10141	12.0
109.10880	1.0
111.08105	1.0
117.07023	1.8
119.06050	1.2
119.08566	4.6
121.10140	10.0
123.08070	1.9
123.11698	3.2
131.08559	3.1
133.03958	5.9
133.10088	4.4
134.04729	1.7
135.11679	5.6
137.13268	1.1
145.10129	2.5
147.05527	4.7
147.11691	3.3
148.00330	1.8
148.03929	2.7
149.13252	2.7
159.11699	1.3
161.03453	92.5
161.13266	1.5
162.03809	3.1
163.04982	1.5
173.13231	1.4
175.05063	1.9
175.14856	0.8
178.21509	0.8
187.14722	1.0
203.04475	10.0
204.06667	0.9
231.03992	100.0
232.04156	5.4
232.06165	2.8
244.62402	0.8
249.99832	1.5
252.19560	1.4
252.64709	0.8
261.22186	1.6
268.00876	12.7
335.10272	15.0
335.21860	41.4
335.25772	44.2
336.12238	1.1
336.22275	3.1
336.26089	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	335.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05509	15.2
55.62135	1.2
57.03428	16.2
57.07066	2.0
62.94664	1.0
65.03933	2.5
67.05499	52.2
69.07065	16.0
69.79619	3.4
71.04984	2.0
71.08615	1.4
71.33507	1.0
78.84209	1.0
79.05485	31.4
81.07052	62.8
82.07383	1.7
83.08611	8.5
85.06550	1.3
91.05462	17.2
93.07034	38.0
94.07363	1.5
95.04973	3.4
95.08597	56.1
96.08939	1.7
97.06526	2.3
97.10141	3.4
105.07018	22.6
107.08580	28.3
107.09257	2.0
109.06514	1.5
109.10145	25.8
111.11709	1.5
111.62882	1.1
117.07036	6.4
119.08571	26.2
119.09418	1.5
121.10133	20.4
123.11700	11.8
128.06197	1.5
129.05492	1.7
129.07001	3.5
131.08546	13.3
133.10121	17.5
135.11667	13.1
137.13301	2.4
141.06967	1.6
142.07823	1.9
143.08565	7.8
145.10115	17.0
147.11668	12.6
149.13252	9.1
151.14810	1.2
155.08586	4.0
157.10124	8.8
159.11674	14.4
161.13266	9.3
163.14832	4.7
165.12700	1.5
168.09392	1.7
169.10133	8.1
171.11650	9.1
173.13219	11.6
174.13570	1.4
175.14874	4.5
177.16348	2.6
181.10112	2.8
183.11668	7.3
185.13208	6.5
187.14789	7.4
189.16403	2.2
195.09988	2.7
195.11563	2.3
197.13228	7.6
199.14799	5.4
201.16365	2.7
203.17949	1.6
209.13249	5.1
210.13966	1.2
211.14890	5.6
213.16438	5.3
223.14795	2.7
225.16356	6.5
227.17926	4.7
237.16389	3.7
237.20331	1.7
239.17986	4.0
241.19530	3.3
243.20964	5.8
251.17921	3.2
253.19531	5.5
255.20990	1.4
261.22113	8.3
265.19427	7.7
265.88553	1.1
267.21060	1.5
279.21017	6.4
293.22672	2.8
307.23962	1.7
317.24805	3.5
330.65906	1.2
335.21899	100.0
335.26700	83.2
336.22656	6.7
336.27765	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03940	2.8
54.23389	1.0
55.01873	1.3
55.05507	21.7
57.03434	25.6
57.07067	2.8
57.46552	0.8
58.19571	0.8
65.03940	2.7
67.05501	100.0
68.05814	1.1
69.07059	22.5
69.44589	1.0
70.69171	1.8
71.04980	2.3
74.00462	1.2
77.03931	2.6
79.05487	47.9
81.07052	87.1
82.07371	1.6
83.04978	2.5
83.08606	8.2
85.06530	2.6
91.05473	24.7
93.06445	2.3
93.07040	53.2
95.04944	6.4
95.08601	70.4
96.08921	1.2
97.06510	2.5
97.10154	4.2
99.08080	2.3
105.04517	18.4
105.07030	14.3
107.08581	27.8
109.06502	3.2
109.10149	29.5
110.10456	1.2
117.07016	5.0
119.06036	1.1
119.08567	12.7
121.10144	19.3
123.08076	1.3
123.11694	9.0
129.05501	1.7
131.08545	10.7
133.03967	3.0
133.10130	10.9
135.11679	15.8
137.09657	1.8
137.13243	2.3
139.95134	1.0
145.10109	6.4
147.05515	4.4
147.11655	7.0
148.03961	1.2
149.13278	7.0
159.11690	4.5
161.03459	54.4
161.13194	6.2
162.03775	2.3
163.11226	1.2
163.14824	2.9
165.12625	1.0
173.13263	3.7
175.14795	2.5
187.14822	2.8
201.16359	1.6
203.04605	5.1
209.75043	1.0
231.03984	58.2
232.04242	3.7
243.21066	4.2
261.22174	7.6
279.23184	1.7
317.24753	3.7
318.04562	1.3
335.10226	10.0
335.25763	92.4
336.26172	6.0
344.92062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51913	0.6
51.83443	0.7
53.03963	0.7
55.05515	5.0
57.07066	1.1
61.93142	0.6
67.05496	7.9
69.07063	7.3
69.59746	2.8
72.10372	0.7
77.03928	0.7
79.05489	8.6
81.07052	24.0
83.08600	2.9
86.05776	0.6
91.05466	7.8
93.07040	13.1
95.04952	1.0
95.08602	17.9
97.10167	1.5
98.22810	1.2
105.07020	21.0
106.07406	0.7
107.08582	14.8
109.10146	12.6
114.84491	0.7
117.06997	4.1
119.08578	21.0
120.08926	0.7
121.10127	10.1
123.11691	4.1
128.06235	0.7
129.06996	3.0
131.08562	9.3
133.10136	9.1
135.11667	4.7
137.13217	1.2
138.06839	0.7
141.07005	1.5
142.07745	1.6
143.08560	10.1
144.09311	1.4
145.10115	14.1
147.11664	8.9
149.13237	3.1
153.06937	0.7
154.07777	0.7
155.08568	5.4
156.09317	2.4
156.90311	0.7
157.10104	12.2
158.10869	1.1
159.11691	14.3
161.13300	5.1
163.14815	1.8
163.90213	0.6
165.06924	0.8
167.08534	1.5
168.09366	2.0
169.10118	8.2
170.10843	1.5
171.11678	8.7
172.45900	0.6
173.13245	9.6
175.14774	3.1
179.08426	0.7
180.09309	0.8
181.10077	3.8
182.10899	1.5
183.11661	11.8
184.12296	1.0
185.13251	8.6
186.13651	0.7
187.14781	4.4
189.16370	1.4
194.10841	1.1
195.11703	5.7
196.12405	1.6
197.13242	9.1
199.14824	7.5
201.16449	3.5
207.11775	0.8
209.13264	7.0
211.14828	8.1
213.16376	6.3
215.17870	1.7
223.14761	5.9
225.16365	8.2
227.17906	6.3
228.63586	0.7
229.19402	1.1
237.16417	5.7
239.17920	6.7
240.18585	0.9
241.19460	4.0
250.16986	0.9
251.17867	5.7
253.19447	5.4
255.21048	1.1
265.19464	6.8
266.20203	1.4
267.20996	1.8
279.21075	11.4
280.21515	1.8
292.21603	0.9
293.22543	3.8
307.24069	1.3
329.08569	0.7
335.27298	100.0
336.27609	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	335.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05513	5.6
55.29646	0.9
57.07073	1.5
58.18546	0.8
67.05501	11.4
69.07066	8.1
70.81828	1.1
76.52531	0.7
77.41788	0.7
79.05489	9.3
81.07057	24.4
83.08617	2.7
91.05486	8.0
93.07050	14.8
95.04954	1.6
95.08604	23.0
97.10172	1.7
98.49779	0.8
105.07027	27.2
105.07735	1.3
106.07343	1.2
107.07927	1.3
107.08595	18.0
109.10154	12.6
117.07057	3.7
118.74394	0.7
118.75362	0.7
119.08582	39.2
120.08844	1.2
121.10155	10.4
123.11698	6.4
128.06247	1.2
129.06992	1.7
130.07756	1.5
131.08574	9.9
133.10121	14.2
134.57541	1.1
135.11690	7.1
137.13284	2.0
142.07788	3.0
143.08560	7.7
144.09406	1.1
145.10121	15.7
147.11685	13.3
149.13269	6.3
150.51205	0.9
155.08543	3.8
156.09314	3.1
157.10130	14.3
159.11688	21.1
161.13254	6.5
163.14799	3.0
167.08543	1.5
168.09299	1.2
169.10139	9.6
170.10757	1.3
171.11694	12.5
173.13257	11.4
175.14743	4.4
177.16418	2.6
179.08629	1.3
181.10104	3.5
181.64761	0.8
182.10773	0.8
183.11687	9.8
185.13271	9.1
186.51929	0.8
187.14809	7.4
189.16391	3.5
194.94943	0.8
195.11739	5.5
196.12556	1.4
197.13239	10.3
199.14796	9.7
201.16360	2.8
203.17946	2.4
207.11717	1.4
209.13283	5.2
210.13875	1.2
211.14789	10.5
213.16403	6.8
215.17996	1.9
223.14790	5.9
225.16356	11.2
227.17944	5.4
229.19398	1.1
237.16406	4.9
239.17918	6.5
241.19548	2.5
249.16463	1.0
250.17247	0.8
251.17970	4.2
253.19525	3.6
255.20934	1.1
265.19525	5.2
267.21060	1.2
277.19345	1.2
279.21112	6.8
280.21710	1.5
293.22736	4.0
307.24298	1.3
335.27316	100.0
336.27682	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	335.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	9.6
67.05495	19.2
69.07078	10.6
69.84624	9.6
79.05500	17.1
81.07055	43.3
83.08654	5.4
91.05489	22.2
93.07046	28.7
93.48694	2.8
95.08600	33.9
96.13387	3.0
98.23474	3.7
105.07038	34.1
107.08588	22.2
109.10180	14.3
117.07015	7.3
119.08595	30.8
121.10194	14.2
123.11743	5.8
130.17166	3.2
131.08615	13.5
133.10156	14.3
135.11716	7.6
142.07770	3.8
143.08566	15.9
143.29814	3.1
145.10098	21.4
147.11702	8.0
149.13374	4.4
155.08635	12.5
157.10092	15.8
159.11673	16.9
161.13292	7.3
169.10194	11.1
171.11681	16.9
173.13272	9.6
175.14833	3.5
175.62918	3.2
181.10193	9.3
183.11795	12.4
184.12529	4.3
185.13387	12.7
187.14891	4.3
195.11725	10.0
197.13368	10.4
199.14922	6.6
209.13318	8.8
211.14874	9.8
213.16447	5.2
223.14894	7.1
225.16425	13.6
237.16350	6.6
239.17989	5.6
251.17889	6.7
251.37248	3.3
253.19550	4.6
265.19708	8.9
279.21146	11.4
293.22638	5.3
335.27338	100.0
336.27771	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	335.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26663	3.1
60.55621	3.3
67.05510	10.9
69.07073	7.7
69.21613	6.0
69.21913	23.0
72.84879	3.4
73.96205	3.2
76.13438	3.2
76.93565	4.3
79.05518	6.4
81.07053	17.3
89.66885	3.6
91.05482	6.9
93.07049	11.1
95.08613	20.9
105.07031	14.3
107.08623	11.4
109.10169	15.8
119.08598	20.8
121.10158	9.6
123.11729	5.3
129.07014	4.2
131.08557	8.6
133.10095	11.0
133.24786	4.5
141.07024	4.2
143.08568	10.1
143.51788	3.5
145.10133	12.8
147.11691	7.6
155.08543	5.4
157.10168	8.5
159.11691	10.2
169.10139	12.4
171.11720	9.1
173.13315	8.1
176.02274	3.7
183.11763	7.6
185.13298	11.0
195.11737	5.8
207.58885	4.3
209.13347	7.3
211.14851	5.1
225.16440	10.2
227.50235	4.0
237.16335	5.7
239.18019	6.1
251.17834	6.8
265.19504	6.4
279.21176	11.5
335.27335	100.0
336.27768	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	335.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.05511	12.1
57.07069	3.2
67.05505	19.5
69.07065	10.3
70.70215	2.5
77.78925	2.1
79.05486	15.8
79.23198	1.8
81.07046	44.7
83.08614	3.7
89.68964	1.9
91.05467	19.2
93.07042	25.9
95.04922	2.4
95.08022	2.8
95.08598	35.0
105.07016	39.1
107.08575	35.4
109.10140	18.5
117.07014	10.2
119.08561	34.2
121.10136	15.0
123.11708	6.1
128.06212	2.9
128.99263	2.0
129.06978	10.2
131.08534	19.1
133.10117	22.3
135.11670	9.6
141.07005	3.2
142.07791	5.8
143.08539	20.1
144.09312	2.7
145.10101	26.0
146.10530	2.4
147.11668	17.7
149.13228	4.5
154.07689	2.5
155.08531	9.8
156.09315	3.7
157.10094	19.3
159.11674	20.9
161.13211	10.1
167.08554	4.2
169.10138	16.3
171.11624	14.2
173.13287	11.6
174.54533	2.2
175.14738	3.1
181.10138	8.7
182.10915	2.2
183.11647	18.5
185.13181	12.3
187.14816	7.2
194.10896	4.5
195.11694	10.7
196.12433	2.7
197.13239	10.7
199.14772	10.8
201.16313	3.9
207.11734	2.7
209.13257	10.2
211.14720	12.2
213.16391	10.0
221.13347	2.6
223.14827	11.4
225.16362	8.3
227.17920	8.5
237.16382	8.0
239.17967	5.7
241.19373	2.9
251.17880	6.6
253.19435	4.7
265.19525	7.9
266.20212	2.2
267.21207	3.0
279.21082	13.9
280.21503	2.7
293.22678	4.8
335.27304	100.0
336.27567	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	335.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05273	1.1
55.05505	7.3
57.07075	1.1
59.23867	0.8
67.05504	11.4
69.07062	7.3
69.87840	1.5
69.88206	2.0
79.05487	10.1
81.07052	25.9
83.08605	3.8
91.05468	8.1
93.07037	18.4
95.04946	1.3
95.08018	1.5
95.08603	21.5
97.10154	1.6
98.22784	1.0
105.06346	2.1
105.07025	26.6
105.07736	1.5
107.08591	18.4
108.08961	0.8
109.10151	13.3
117.07024	4.1
119.08571	25.2
120.06609	1.0
121.10134	12.6
123.11699	5.4
128.06207	1.4
129.07018	2.7
130.07840	1.0
131.08562	12.5
133.10126	16.4
135.11671	5.7
137.13258	1.5
140.63110	0.9
141.07016	1.3
142.07756	2.7
143.08559	8.9
145.10123	18.4
147.11673	13.1
149.13252	3.6
155.08566	7.0
156.09355	2.5
157.10106	14.5
159.11714	15.0
161.13249	7.2
161.70013	1.1
163.14784	1.7
165.83038	1.1
166.13333	0.9
167.08543	0.9
168.09427	1.5
169.10141	10.9
170.10818	1.2
171.11707	11.7
173.13222	10.3
175.14838	4.2
181.10045	5.1
182.10902	2.0
183.11670	9.7
185.13246	10.3
187.14813	6.1
189.16385	3.3
193.10017	1.5
194.10782	1.0
195.11705	6.3
196.12460	1.8
197.13243	10.6
198.14014	1.2
199.14825	11.0
201.16409	4.1
203.17914	1.0
209.13216	8.1
210.13875	1.5
211.14778	10.0
213.16383	7.9
215.17993	2.8
223.14754	6.9
225.16330	9.0
226.16847	1.5
227.17883	7.8
235.14827	1.2
237.16306	5.4
238.16930	1.1
239.17950	8.7
241.19547	6.8
249.16290	1.2
251.17879	6.8
252.18669	1.2
253.19568	4.7
264.18442	1.1
265.19473	9.1
266.20148	1.8
267.21042	2.9
268.46786	1.0
279.21045	12.4
280.21735	2.7
293.22580	5.2
307.24106	2.6
320.24792	1.2
335.27298	100.0
336.27676	9.9
352.14557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
53.52657	1.1
55.05510	12.6
57.03438	9.4
57.07079	6.2
60.67322	1.4
65.03932	2.7
67.05503	39.3
69.07063	13.6
71.04948	1.5
71.08606	2.7
71.19647	1.4
74.07298	1.2
79.05492	24.3
80.48950	1.2
81.07054	56.0
83.08612	5.8
84.08149	6.4
89.05999	1.2
91.05476	15.6
93.07047	30.6
95.04944	2.8
95.08601	47.9
97.10151	3.7
105.04523	2.4
105.07029	28.1
107.08593	22.9
109.10152	22.3
117.07030	5.4
119.07740	2.2
119.08574	37.0
120.05754	2.1
121.06161	1.6
121.10139	21.7
123.11687	8.7
129.06966	3.5
131.08543	12.7
133.10118	15.7
135.11679	11.2
137.09526	1.7
137.13205	2.8
138.06822	3.3
139.07091	1.7
140.03633	1.0
140.06509	2.0
141.06944	3.2
142.07713	3.3
143.08575	9.2
144.09317	1.6
145.10130	18.4
145.86111	1.2
147.11673	11.7
149.13237	5.3
155.08522	6.7
156.09282	2.8
157.10104	15.5
159.11687	15.2
161.13188	6.6
163.14760	2.9
167.08588	2.1
169.10175	12.1
171.11685	11.1
173.13258	9.3
175.14723	3.7
177.16356	1.9
181.10150	5.5
182.10890	2.6
183.11679	12.4
184.12306	1.2
185.13260	7.3
185.29387	1.1
187.14868	6.3
189.16319	2.6
195.11621	5.3
197.13254	12.1
199.14809	9.2
201.16344	3.9
203.17899	1.9
207.11737	1.2
209.13199	11.0
211.14783	9.8
212.15359	1.3
213.16344	7.5
215.17892	1.9
223.14796	5.4
225.16370	8.4
227.17963	7.5
235.14723	1.5
236.14694	1.3
237.16393	5.8
239.17931	8.3
241.19463	2.9
243.21077	1.4
251.17955	5.3
253.19493	4.8
254.20332	1.3
261.21991	2.8
265.19540	7.9
267.21118	2.8
279.21069	7.3
293.22482	3.8
307.24078	1.7
335.27158	100.0
336.28360	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	336.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44240	5.1
66.75049	5.1
68.99802	10.0
69.76332	23.9
70.06593	6.8
71.01354	9.4
71.13022	5.5
84.04500	13.0
84.08141	8.9
88.14332	6.7
90.03785	29.8
91.05477	8.5
95.01331	14.9
95.04926	6.6
99.00784	9.5
107.04954	40.6
119.04942	25.2
133.02893	10.9
135.04417	95.7
137.05971	100.0
139.00256	7.6
144.06523	8.6
147.04402	43.0
157.01372	23.4
161.02353	20.1
162.05515	24.1
166.99785	16.8
179.07040	32.5
185.00800	23.2
187.03847	7.3
190.05345	35.4
197.08203	8.5
199.03905	8.4
225.79745	5.9
227.03403	5.9
245.04457	7.7
259.02637	6.7
273.03937	15.5
283.02423	16.3
301.03384	55.7
319.04446	14.3
337.05649	14.8
337.09998	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	336.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72485	1.5
53.00305	3.6
55.01876	7.7
61.90949	1.7
66.55964	1.7
66.92460	1.5
68.63574	1.6
68.99781	5.1
69.53454	4.8
69.53827	3.3
71.01332	3.9
73.01140	2.8
74.00654	3.1
75.02699	13.9
77.03917	1.8
79.68526	1.7
80.06284	1.6
83.06102	1.5
84.04017	3.4
84.04498	37.9
88.04000	12.8
90.03774	86.4
90.05572	2.8
91.02205	1.8
95.01328	3.9
99.00787	2.7
101.00592	10.1
102.05536	2.1
107.04945	11.9
110.17596	1.5
112.03960	20.2
119.01668	2.5
119.04926	5.4
123.00807	2.4
129.06587	3.5
130.05032	5.2
135.04411	25.1
137.05977	20.4
139.00278	3.0
144.06554	27.3
147.04398	9.6
157.01320	7.5
157.02695	1.6
158.60339	1.9
161.02307	4.5
162.05562	16.1
166.99716	3.7
175.03893	1.8
179.07043	6.3
185.00826	4.1
187.03957	3.1
190.05313	100.0
191.05649	1.8
197.08067	1.8
199.03917	2.3
203.03432	2.0
203.23984	1.7
207.07962	11.6
229.06647	1.8
231.02798	2.2
247.07469	9.8
273.03873	5.6
283.02399	5.7
301.03360	16.1
319.04544	2.8
337.05579	4.4
337.09781	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	336.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43707	0.7
55.01862	5.9
56.05024	1.6
59.43398	0.7
61.01139	1.6
69.03429	0.8
70.06576	2.9
70.28666	1.6
70.28990	1.0
72.04511	1.2
73.01129	3.0
73.02912	1.4
74.00657	2.9
75.01430	1.8
75.02702	16.3
83.06129	1.6
84.04501	41.1
84.08142	2.5
85.90720	0.7
88.03986	17.7
90.03773	83.7
90.05541	3.3
91.02167	2.7
98.06087	0.8
101.00594	10.2
101.01691	1.1
102.03745	2.9
102.05514	1.5
105.03716	1.9
105.24210	0.9
112.03963	23.3
112.07605	1.5
119.01634	2.6
120.08087	3.1
126.05507	1.0
129.06602	3.5
130.04999	6.9
144.06541	28.5
153.06593	0.9
156.08072	1.1
156.11267	1.3
162.05554	9.0
171.07646	1.4
174.05870	1.3
174.09128	4.9
190.05310	100.0
191.05690	2.5
200.98346	0.8
201.06822	1.1
207.07967	16.3
217.08180	1.0
229.06448	1.9
247.07533	9.6
270.91815	1.6
273.08957	1.4
321.98505	0.8
336.14572	4.5
336.22665	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	336.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53888	0.2
53.84974	0.2
55.05515	0.3
57.22746	0.2
66.08955	0.2
68.99781	0.4
70.47069	0.2
79.05489	0.3
80.04998	0.6
91.05473	0.4
91.36797	0.2
91.48582	0.2
92.99818	0.2
94.06535	0.6
103.05461	1.6
105.04465	0.2
106.06531	0.4
108.04472	1.4
108.08105	3.1
110.06035	1.2
115.05463	0.3
118.06518	0.2
119.04906	0.3
120.04447	0.2
120.08090	0.7
122.06033	2.3
131.04924	2.9
134.05984	1.0
136.07573	16.3
137.07942	0.3
147.04439	0.5
148.03934	0.4
148.07573	1.0
149.93871	0.2
152.07143	0.5
153.01791	0.3
158.06032	0.4
159.04457	0.2
160.07539	0.5
161.03461	0.4
162.05495	7.4
164.07063	1.5
165.01878	1.8
166.04930	0.5
173.06042	0.3
175.03928	1.6
176.03432	0.9
176.07071	2.4
177.01811	0.3
178.01343	0.4
180.06555	0.8
183.02856	0.3
186.05545	0.5
187.03896	0.9
188.07051	0.6
189.01851	0.6
190.04994	3.1
193.04944	0.3
203.03381	2.1
204.02942	5.0
204.06549	20.2
205.06885	1.0
206.08113	0.6
207.02831	0.2
208.06032	0.7
214.04948	2.5
215.03421	1.5
215.05377	0.3
222.07578	2.6
231.04114	0.3
232.06039	100.0
233.06360	4.1
250.07109	7.6
251.07439	0.4
266.11655	0.5
290.11801	0.5
293.08182	0.5
294.11185	1.7
295.11569	0.2
307.09549	0.2
308.09158	0.6
308.12811	2.0
318.11148	1.6
336.12277	70.1
337.12610	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	336.123
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01008	0.3
67.62474	0.3
68.08059	0.3
68.99780	0.7
69.54609	0.8
69.54982	1.0
79.05466	0.4
80.05022	0.9
93.02189	0.3
94.06545	0.6
103.05450	1.2
104.15614	0.4
106.06537	0.6
108.04459	1.1
108.08117	2.3
110.06010	1.1
119.04897	0.4
120.08131	0.5
122.06037	2.1
131.04890	2.7
134.06003	1.2
136.07574	17.8
136.08629	0.9
148.07579	0.9
152.06984	0.6
158.05969	0.5
160.07518	0.7
161.03482	0.5
162.05482	6.4
164.07036	1.3
165.01831	1.2
175.03882	1.4
176.03406	0.8
176.07062	2.2
180.06573	1.0
186.05466	0.4
187.03824	0.7
189.01752	0.9
190.05052	2.9
191.07237	0.4
192.59135	0.4
203.03465	2.1
204.02933	6.3
204.06560	19.2
205.06961	0.6
207.02808	0.5
208.06180	1.0
214.05022	2.5
215.03322	1.2
222.07564	2.4
232.06041	100.0
233.06412	3.8
250.07069	6.5
251.07599	0.4
266.11884	0.3
294.11246	1.3
308.09256	0.6
308.12631	0.9
318.11188	1.1
336.12274	70.1
337.12613	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	336.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01883	0.2
55.01884	0.2
57.07058	0.2
65.88478	0.2
68.99783	0.6
70.06587	0.4
80.05017	0.6
88.68043	0.2
91.05454	0.2
92.99720	0.3
94.06572	0.5
103.05454	0.9
105.03355	0.4
105.04508	0.7
108.04430	0.5
108.08118	1.8
110.06025	1.4
115.05401	0.3
119.04910	0.2
120.04420	0.4
120.08081	0.4
122.06017	1.9
131.04924	3.0
134.06013	1.2
136.07559	13.9
137.07875	0.4
137.83453	0.2
146.05930	0.3
147.04422	0.5
148.03944	0.4
148.07532	0.8
152.07004	0.3
153.01878	0.3
158.05989	0.4
159.04425	0.2
160.07634	0.3
161.02223	0.4
161.03445	2.4
162.03799	1.6
162.05486	6.4
162.06850	0.4
163.05705	0.2
164.07050	1.0
165.01837	1.0
166.04999	0.3
175.02565	0.2
175.03830	1.1
176.03491	0.4
176.07060	2.2
177.01875	0.5
178.01378	0.3
180.06516	0.9
183.02879	0.4
186.05447	0.3
187.03874	0.7
188.07080	0.4
189.01830	0.5
190.04976	3.3
203.03329	1.6
204.00989	0.4
204.02910	5.5
204.06537	13.4
205.01366	0.3
205.06862	0.6
207.02879	0.6
208.02312	0.4
208.06061	1.0
214.05009	1.3
215.03387	1.2
215.05357	0.3
222.07620	2.1
231.03983	2.1
231.07449	0.3
232.06035	100.0
233.04298	0.4
233.06360	3.3
250.07094	9.6
251.07481	0.4
268.00858	0.4
269.08112	0.4
273.26178	0.5
290.11774	0.3
293.08032	0.5
294.11179	2.0
308.09427	0.4
308.12674	0.5
318.11206	0.7
335.29782	1.4
336.12259	57.9
336.30042	0.5
337.12668	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	336.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
59.06116	22.2
67.05481	1.0
68.05018	2.4
70.06581	76.7
71.06938	1.1
71.42695	1.1
81.04527	2.4
82.06587	2.2
83.06102	1.3
84.08157	2.5
94.06572	4.9
95.04970	3.6
98.06028	7.9
98.97572	1.9
98.98440	1.0
111.09195	3.7
112.07589	100.0
114.85120	0.9
121.07588	1.7
125.46564	1.0
139.08647	15.2
156.11305	74.6
174.89468	1.4
177.00943	1.1
198.56181	1.0
200.23636	1.1
202.95705	1.1
214.96475	2.9
220.96504	1.7
256.97635	7.4
266.95966	1.4
276.92056	3.6
276.94913	1.3
280.97504	1.9
284.96887	1.2
294.93057	5.1
312.96448	1.3
318.92780	1.2
319.14972	2.6
336.17520	6.8
336.94226	8.2
337.17111	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	6.1
59.06116	1.8
65.58341	1.6
69.97467	4.0
69.97807	3.1
70.06601	2.7
84.08151	3.4
84.58981	1.7
98.97570	11.1
110.97672	2.3
116.98676	3.0
123.20959	2.0
127.07318	1.8
128.98576	2.9
140.98546	1.9
146.99629	2.4
188.75150	1.9
202.98637	2.3
219.01765	4.0
244.99710	2.1
263.00577	2.4
277.02609	2.2
290.60556	2.1
295.06989	7.0
337.08914	100.0
344.54199	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	337.0891
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
60.05647	1.0
69.35401	3.8
70.06555	3.8
91.73483	1.1
93.43150	1.0
94.92978	2.6
96.92793	1.7
98.23409	2.1
101.00775	1.0
104.10684	1.1
112.07566	1.4
112.89600	23.7
114.89329	18.3
119.01856	1.7
131.01901	1.1
133.03412	1.7
138.05377	1.5
145.03461	2.3
150.91885	0.9
155.01839	1.3
156.88443	1.2
157.03458	1.8
161.02930	1.1
162.11252	5.5
163.11600	1.4
173.02939	2.4
175.11887	1.2
176.01033	2.3
187.04442	1.1
188.91057	1.9
192.64279	1.1
198.92221	1.0
202.92560	4.2
210.89363	12.2
217.01915	4.6
226.86583	2.8
234.92061	1.4
235.02910	1.4
238.55878	0.9
260.89420	3.2
261.92691	2.3
262.89191	2.2
295.08575	1.4
334.37271	1.0
336.94907	2.0
337.08755	100.0
337.17084	4.3
338.09161	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1069
Annotation	Clandestacarpin
Peak:m/z	Relative Intensity
55.01852	0.7
55.05504	1.1
56.88937	0.4
65.03933	1.9
67.05504	0.5
68.99778	1.2
69.07056	1.8
69.54496	1.6
79.05474	5.1
81.03416	0.9
81.07057	0.8
83.01360	0.5
84.05642	0.5
91.05467	1.4
91.64973	0.5
93.03398	1.2
93.07060	0.7
95.04963	1.3
95.08585	0.8
98.23476	0.7
103.05453	2.6
105.03429	0.4
105.07008	7.6
106.07351	0.4
106.74355	0.4
107.05015	0.6
109.02858	1.9
110.63586	0.4
111.03773	0.5
111.04422	2.1
111.11714	1.4
115.05454	1.2
117.03346	0.5
117.07017	2.6
118.04172	0.9
119.04929	3.6
119.08501	0.4
121.02857	44.9
121.03920	2.1
122.03200	0.9
123.08047	7.6
126.01065	2.0
128.02625	3.3
128.06212	1.8
129.06998	2.4
131.04916	0.4
133.06487	77.5
133.07542	6.6
134.03606	1.0
134.06833	2.5
137.05968	1.3
142.04137	2.9
145.02831	9.6
145.06490	2.9
145.10144	0.7
146.83694	0.5
147.04369	1.2
149.02324	1.1
149.05994	1.0
155.04895	1.7
155.06035	1.4
157.06474	100.0
158.06830	4.1
162.03099	0.9
163.03891	1.7
169.01236	0.7
173.02328	1.6
173.05978	2.8
173.08232	1.1
175.07469	0.4
177.01843	1.4
183.04431	1.3
185.02322	0.9
189.01855	0.8
190.02615	1.5
191.03355	1.5
191.06984	0.7
197.05890	0.7
201.05431	6.3
208.03616	1.2
218.07210	0.5
219.06476	8.1
219.08362	0.7
220.08954	0.7
223.07506	0.6
233.77184	0.5
234.06734	1.3
241.04875	1.0
248.08192	0.8
249.03973	0.7
249.09061	0.5
251.10678	2.0
252.07774	0.9
262.06198	1.3
263.06989	1.4
267.06555	0.7
269.04370	1.1
276.07809	1.8
277.08578	2.0
279.06589	0.9
280.07114	0.7
291.06464	4.1
291.10114	3.9
295.06299	0.6
295.09598	0.9
301.08679	1.2
302.09702	0.6
305.07999	1.9
307.05984	4.6
308.06747	33.5
309.07516	15.8
309.11002	0.8
310.07883	1.3
312.18777	0.6
319.09622	44.6
320.09970	2.7
322.08450	0.6
337.10651	95.9
338.11050	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	337.107
Annotation	Clandestacarpin
Peak:m/z	Relative Intensity
53.03944	0.4
55.01868	0.8
56.28522	0.2
65.03931	3.1
68.99787	16.9
69.03409	0.3
69.17166	1.3
69.17575	0.7
77.03950	0.5
79.05487	3.9
81.03443	0.3
83.61309	0.3
87.84851	0.3
91.05475	4.1
93.03407	0.4
95.04948	1.9
103.05462	2.7
105.07024	7.8
105.07732	0.4
109.02882	0.7
111.04449	2.2
112.99997	0.8
115.05458	1.5
117.06955	0.4
119.04073	0.3
119.04935	11.1
121.02860	100.0
121.03883	3.5
121.06412	1.3
122.03168	2.1
123.08059	3.9
129.06995	0.6
133.06488	48.9
134.06819	1.2
137.05952	0.3
145.02829	1.1
145.06465	0.3
147.04434	0.3
149.02351	0.4
149.05962	0.6
157.06447	1.2
161.06006	0.4
163.03897	9.8
169.01445	0.5
175.07559	1.7
177.01822	0.9
185.02333	0.5
201.05536	0.9
216.98972	1.2
219.06479	4.0
221.04460	0.4
231.02866	22.0
232.03165	0.7
235.00044	1.0
249.03929	31.8
250.04288	1.5
269.04407	0.6
291.06567	0.5
305.07996	0.5
307.06119	0.3
308.06708	1.3
309.07611	0.6
309.10938	0.5
319.09622	3.7
324.31509	0.3
337.10675	27.4
338.11108	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.107
Annotation	Clandestacarpin
Peak:m/z	Relative Intensity
65.03932	1.0
68.99790	0.5
69.33793	2.3
72.49279	0.4
79.05492	5.8
82.91267	0.4
86.57276	0.4
89.03915	0.4
91.05476	1.2
94.04169	0.4
95.04966	1.6
95.08588	0.5
95.52344	0.4
97.69358	0.4
98.23439	0.9
103.05469	3.1
105.07020	6.8
111.04421	0.5
115.05463	0.8
115.60770	0.4
117.03368	0.5
117.07004	1.1
119.04913	0.8
121.02857	23.1
121.03781	0.8
123.08057	8.4
128.06230	1.6
129.06969	1.2
133.06488	82.5
133.07553	6.9
134.03627	1.0
134.06772	2.2
142.04100	3.9
145.02841	11.1
145.06523	1.0
147.04318	0.5
149.05974	0.5
155.04868	0.6
155.05969	0.5
157.06474	100.0
158.06827	3.9
162.03163	1.0
163.03835	0.5
169.06389	0.5
173.02400	1.2
173.05983	1.7
183.04388	0.6
185.02278	0.4
189.01894	0.7
190.02629	1.5
191.03368	1.4
197.41704	0.4
201.05493	2.9
207.02922	0.4
208.03668	1.3
219.06454	2.6
219.08075	0.3
234.06769	0.5
248.08238	0.6
251.06923	0.5
251.10666	2.0
262.06290	0.8
276.07724	0.9
277.08640	0.9
279.06476	0.6
290.05652	0.8
291.06448	2.5
291.10074	1.5
301.08719	0.7
304.07315	0.5
305.07999	0.8
307.06006	3.3
308.06747	18.9
309.07486	8.9
310.07889	0.6
319.09619	27.8
320.09839	1.7
337.10666	79.6
338.11008	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	337.1068
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
55.05498	0.4
55.27277	0.2
57.03415	0.4
65.03934	2.1
68.99780	0.5
70.54962	0.5
79.05467	0.4
81.03396	0.4
81.07044	0.5
82.28260	0.2
91.05456	1.4
93.03385	0.8
93.07031	0.3
95.04918	0.3
95.08598	0.5
98.07148	1.1
103.05420	0.3
105.06999	1.2
107.08561	0.3
109.10096	0.3
111.04371	0.4
113.00035	0.4
115.05462	0.8
117.07018	1.4
119.04929	4.4
119.08584	0.5
121.02853	11.5
121.03811	0.5
121.06413	0.3
127.01559	2.2
128.06114	0.4
129.06987	0.5
130.04109	0.3
131.08554	0.4
133.06465	0.6
134.14931	0.3
135.04430	0.3
145.02852	1.0
145.06487	1.7
145.10075	0.3
147.04381	0.6
147.11668	0.5
148.02448	0.3
149.02318	15.7
150.02612	0.4
155.06020	0.3
157.06451	0.5
158.03645	0.3
163.03825	0.8
167.03380	17.6
168.03746	0.5
173.05925	1.6
175.11217	0.3
176.04565	0.4
177.01797	2.6
183.04381	0.5
186.03050	0.5
189.05431	0.3
191.06963	1.3
195.02853	0.8
201.05389	1.9
219.06459	1.3
234.06712	0.9
239.06863	0.4
254.05713	0.4
255.06490	1.3
262.06219	0.4
267.06491	61.6
268.06985	4.9
276.07788	4.3
277.08389	1.2
279.06537	4.2
280.06989	0.3
281.08069	0.9
289.08636	0.4
291.10135	5.2
292.10461	0.4
293.08197	0.9
295.05984	9.5
295.09479	0.9
296.06497	0.7
301.08627	1.1
304.07327	1.3
307.05914	1.2
308.06702	1.2
309.11169	3.6
319.09644	3.8
321.07614	1.0
322.08252	0.3
337.10648	100.0
338.10986	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	337.1102
Annotation	Firocoxib
Peak:m/z	Relative Intensity
51.68154	0.3
62.36852	0.3
62.98256	3.4
70.06591	0.9
73.95139	0.3
78.95659	0.4
80.12959	0.3
80.86644	0.3
104.99260	0.5
116.99259	0.3
120.96684	0.4
142.94797	0.4
175.05823	0.3
180.90439	0.5
191.04100	0.6
209.03885	2.1
216.94943	0.8
235.01891	0.4
253.02950	13.8
254.98857	0.6
264.47531	0.3
291.94980	0.3
319.08682	1.2
337.11050	100.0
338.11441	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1749
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
50.11570	0.4
55.05256	0.7
55.05507	8.6
57.03437	4.2
57.03706	0.7
57.07070	1.3
58.94508	0.4
60.59456	0.4
65.03902	0.8
67.05501	16.6
68.18139	0.4
69.07062	8.5
70.00231	0.5
71.04996	0.7
71.08624	0.6
71.43600	0.5
79.05488	4.4
81.07048	14.4
83.08622	3.2
85.06526	0.8
88.52137	0.4
91.05471	2.9
93.07040	4.7
95.04948	0.8
95.08600	11.9
95.09211	0.6
96.04456	1.3
96.92188	0.4
97.06512	0.9
97.10165	2.2
99.08147	0.6
105.07043	2.8
107.08572	3.0
109.10151	5.0
110.01833	0.4
111.11649	0.6
113.05971	0.7
116.99290	0.7
119.08573	2.1
121.10146	1.5
123.11686	1.8
127.01533	0.6
129.91872	0.5
133.10107	1.6
135.11646	1.3
137.13243	0.7
138.89737	0.5
147.11674	1.3
149.13214	1.0
159.11699	0.6
161.13312	0.8
163.14752	0.6
173.13187	0.7
175.14789	1.1
178.14064	0.5
188.29878	0.5
190.97713	0.5
245.22566	0.5
261.07364	0.6
263.23679	0.6
337.17465	100.0
337.27182	17.8
338.17819	5.3
338.27682	1.1
351.04321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
54.54286	1.2
55.01870	1.8
55.05510	39.8
56.12437	1.2
57.03437	26.0
57.07084	6.4
63.92880	1.0
65.03947	3.7
67.05504	87.9
68.05852	1.2
69.07066	43.3
70.55104	1.5
71.05011	2.1
71.08624	3.2
79.05494	21.6
81.07056	93.7
82.07380	2.3
83.04976	2.2
83.08618	27.9
85.06543	2.6
91.05473	14.3
93.07043	21.9
95.04966	3.7
95.08604	76.8
96.08945	2.4
96.78092	1.1
97.06522	4.8
97.10172	13.2
101.19497	1.2
105.07030	9.9
107.06552	1.1
107.08581	13.4
109.10150	32.4
111.08111	2.3
111.11697	3.5
119.08574	9.9
121.10146	10.8
123.07994	1.2
123.11717	13.1
125.09638	2.5
131.04922	1.9
133.10127	8.6
135.11684	8.3
137.09543	1.7
137.13268	5.5
147.11688	4.8
149.13266	2.8
151.14827	2.6
161.03462	2.6
161.13300	4.1
162.03860	2.1
163.14821	4.4
165.16232	1.3
175.14850	4.3
177.16406	1.4
189.16385	2.5
232.04347	2.6
233.04564	3.5
245.22678	7.6
263.23615	11.6
280.17160	1.1
337.27356	100.0
338.27542	7.3
338.33923	1.2
352.18320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.61192	1.1
53.03933	1.4
55.01860	1.9
55.05508	39.5
57.03432	24.6
57.07062	4.6
62.09211	1.0
65.03928	3.1
67.05501	88.3
68.05841	1.7
69.07065	53.9
70.70885	1.9
71.04980	1.7
71.08613	3.3
79.05493	22.4
81.07053	75.8
83.04977	2.4
83.08612	23.2
85.02872	1.2
85.06533	3.0
91.05470	12.6
93.07043	20.4
95.04976	1.4
95.08603	56.4
95.81306	1.1
96.08928	1.1
97.06512	4.4
97.10151	12.5
99.08069	1.5
105.07017	8.6
107.08598	12.5
108.98808	1.0
109.10144	21.5
110.10459	1.2
111.08066	3.7
111.11724	2.4
119.08598	7.7
121.10145	8.9
123.11703	10.4
133.10129	8.2
135.11716	5.0
137.13211	2.8
147.11662	5.5
149.13242	2.7
151.14760	1.8
161.13272	4.6
163.14859	2.4
175.14748	3.0
189.16425	1.1
204.87273	1.2
233.02132	1.7
233.04556	1.1
234.00336	1.4
245.22717	1.6
263.23706	3.5
290.41498	1.1
337.27341	100.0
338.27673	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	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03947	1.7
55.01867	1.9
55.05508	42.0
55.56141	0.5
56.05825	0.7
57.03432	30.0
57.07070	6.2
63.61770	0.5
65.03933	2.9
65.60639	0.4
67.05499	96.2
68.05828	2.0
69.03419	0.7
69.07063	53.9
69.47292	2.0
70.07399	1.0
71.05008	2.3
71.08628	3.2
77.03934	0.5
79.05487	26.2
80.06261	0.7
81.07050	90.5
82.07395	1.6
83.04984	3.1
83.08613	27.4
85.06542	2.7
85.10146	0.7
91.05473	16.5
93.07035	23.6
95.04978	2.7
95.08598	64.0
96.04483	0.6
96.08943	1.5
96.92225	0.5
97.06519	5.0
97.10161	12.6
99.08079	2.2
101.05990	0.7
105.07021	10.8
107.08586	11.9
109.06533	1.6
109.10146	23.4
110.10494	0.5
111.08066	3.0
111.11695	3.4
113.09660	0.8
117.07037	0.5
119.08584	8.7
121.10130	10.7
123.08073	2.1
123.11699	12.1
125.09644	2.4
125.13281	0.9
127.11205	0.9
131.08594	0.8
133.10120	10.4
135.11682	5.5
137.09616	1.3
137.13263	3.6
139.11133	1.0
147.11673	6.2
149.13261	3.3
151.11171	1.0
151.14818	2.1
153.12718	1.2
159.11667	0.6
161.13234	5.1
163.14828	2.3
165.12701	1.3
165.16341	1.0
174.90355	0.6
175.14761	3.5
177.16217	0.6
179.14218	0.7
179.17868	0.7
181.15900	0.7
189.16403	1.4
203.17995	0.7
245.22592	2.1
246.38007	0.5
251.00224	0.7
263.23538	3.1
267.06485	1.2
337.10580	1.8
337.27316	100.0
338.27625	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	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03938	2.5
55.01859	1.1
55.05509	49.9
57.03436	28.9
57.07078	7.3
59.61586	0.9
65.03937	3.0
66.36631	0.7
67.05502	100.0
68.05824	1.3
69.03422	0.8
69.07063	52.1
71.04978	2.1
71.08622	2.7
75.35608	0.7
75.58005	0.7
79.05489	26.9
79.05949	1.5
81.07053	90.9
82.07381	2.2
83.04967	2.9
83.08121	1.6
83.08614	28.6
85.06536	2.5
85.10174	1.5
91.05474	17.1
92.05798	0.9
93.06460	1.0
93.07037	21.2
95.04946	3.3
95.08602	72.2
96.08929	1.5
97.06532	5.3
97.10155	12.4
98.23447	1.8
99.08080	1.7
105.04523	1.2
105.07027	13.4
107.08582	10.2
109.10150	29.5
110.10447	0.9
111.08060	3.3
111.11712	2.8
113.09660	0.8
119.08582	7.6
121.10120	11.3
123.08070	1.9
123.11703	10.8
125.09599	1.2
131.08577	1.0
133.10139	8.1
135.11688	6.0
135.12604	1.0
137.09589	1.7
137.13240	4.5
147.11667	6.3
147.43135	1.0
149.13252	3.7
151.14804	1.4
161.13254	3.0
163.14825	3.0
175.14810	3.0
181.15807	1.0
189.16359	1.9
192.65550	0.9
232.04417	1.0
245.22726	3.9
263.23669	5.9
337.27335	96.4
338.27713	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.3
55.01855	0.9
55.05507	40.3
57.03432	24.6
57.07073	6.9
63.29485	1.0
65.03902	3.4
67.05499	89.7
69.07062	45.4
71.04957	1.7
71.08595	3.2
72.54658	0.7
73.06552	0.8
74.03702	0.8
79.05062	1.5
79.05488	25.5
81.07048	96.7
82.07359	1.2
83.04961	1.9
83.08611	26.5
85.06521	1.9
85.10117	1.0
91.04955	1.2
91.05466	17.1
93.07037	28.0
95.04916	3.1
95.08595	77.1
96.08891	1.5
97.06530	5.3
97.10168	15.6
99.08072	1.9
105.06360	1.2
105.07009	17.3
107.07954	1.3
107.08587	18.6
109.06482	1.6
109.10143	32.5
111.08016	3.3
111.11674	2.9
117.06908	1.0
119.08562	16.6
121.10136	15.8
123.08031	0.9
123.11703	11.8
125.09566	2.1
125.13319	0.8
129.06984	1.3
131.08568	4.0
133.09222	1.0
133.10120	13.5
135.11668	7.9
137.09566	1.6
137.13217	4.9
139.11099	1.2
141.09042	0.8
142.07681	1.1
143.08484	1.8
145.10080	6.1
147.11665	11.0
149.13242	6.7
151.11142	1.2
151.14772	2.4
157.10063	2.5
159.11658	6.3
161.13266	7.8
163.14777	6.2
169.10022	1.1
171.11606	2.5
173.13260	4.3
175.14789	5.2
177.16266	1.5
183.11456	1.0
185.13197	2.6
187.14717	3.2
189.16257	3.2
199.14812	1.7
201.16252	2.5
203.17880	1.3
211.14682	1.0
213.16258	3.2
215.17886	1.7
227.17805	3.1
229.19313	1.6
241.19441	2.1
243.21066	1.6
245.22636	4.7
253.19376	1.4
253.65627	0.8
255.20934	2.2
263.23764	7.0
267.20865	1.2
281.22482	2.2
337.27237	100.0
338.27640	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07118	0.8
52.93007	0.9
53.03934	2.9
55.01850	1.5
55.05507	47.0
57.03435	28.7
57.07072	6.3
65.03919	2.9
66.13747	0.9
66.34446	0.9
67.05500	93.0
68.05820	1.1
69.07064	51.5
69.30391	1.9
69.30778	2.0
71.04982	2.3
71.08627	1.5
73.06563	0.9
74.25716	0.9
77.03921	1.0
79.05486	24.8
81.07050	89.7
82.07374	1.1
83.04969	2.6
83.08616	28.1
85.06541	2.9
91.05470	13.4
92.46446	0.9
93.07036	20.7
95.04955	1.8
95.08599	69.2
96.08951	0.9
97.06509	5.3
97.10164	13.4
99.08074	1.5
105.07028	8.6
107.08581	14.2
109.06506	0.9
109.09414	1.8
109.10146	26.2
111.08064	2.8
111.11717	3.0
113.09673	1.1
119.08586	7.8
121.10143	9.3
121.32298	0.8
123.08079	1.8
123.11684	10.3
125.09623	1.6
133.10136	8.3
135.11679	5.3
137.09610	1.5
137.13213	3.7
147.11653	5.6
149.13284	4.7
149.14276	0.9
151.14767	1.1
161.13242	5.1
163.14819	3.0
165.51399	0.9
167.14380	1.0
175.14836	3.3
177.16389	1.4
189.16383	1.6
207.17558	1.0
245.22647	3.8
263.23669	6.2
314.90445	0.9
337.27341	100.0
338.27655	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	337.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83944	0.6
53.03952	0.9
55.01875	0.7
55.05508	16.2
57.03429	4.1
57.07065	2.7
65.03960	0.7
67.05500	30.9
67.95323	0.6
69.07064	17.7
69.50464	1.7
70.76813	0.6
71.04988	0.9
71.08636	1.4
77.17948	0.5
79.05489	13.9
81.07053	53.3
82.07369	0.9
83.04972	1.0
83.08613	10.1
85.06532	0.8
89.06043	1.8
91.05480	12.8
93.07040	24.2
95.04990	1.1
95.08601	45.4
96.08958	0.8
97.06550	1.4
97.10167	6.1
100.31007	0.7
105.04551	0.8
105.07024	23.5
105.07714	1.3
106.07330	0.7
107.08588	26.8
108.08952	0.7
109.06514	0.9
109.10147	21.3
110.10523	0.8
111.11763	2.0
117.06998	5.3
119.08571	25.9
120.08948	1.0
121.10145	18.9
123.11703	9.8
128.06262	0.9
129.07030	2.4
131.02238	0.6
131.08560	11.7
131.09447	0.9
133.10124	15.7
135.11678	11.8
135.12610	0.8
137.09589	0.8
137.13252	3.1
142.07838	1.7
143.08536	7.6
143.09454	0.7
144.09308	1.0
145.10118	15.3
147.11676	12.0
149.13243	9.5
151.14864	1.4
155.08626	2.6
156.09366	1.4
157.10121	8.0
159.11688	16.9
159.12909	1.0
161.13251	10.7
161.14474	0.7
163.14824	5.1
165.16434	0.9
169.10194	2.3
171.11671	8.2
173.13263	12.1
173.14722	0.7
175.14813	7.9
177.16467	2.5
183.11665	3.4
185.13272	6.8
187.14790	8.5
189.16356	5.9
197.13280	3.9
199.14816	7.8
201.16389	8.1
201.18060	0.7
203.17932	2.9
211.14862	3.8
213.16351	8.9
215.17924	8.5
217.19547	1.2
225.16341	3.7
227.17928	9.4
229.19481	4.9
237.04903	0.6
239.18051	3.8
241.19504	7.6
243.21017	3.6
245.22842	1.9
253.19423	3.8
254.19914	0.8
255.21022	5.4
256.21524	0.6
263.23804	1.5
267.21088	3.7
269.22684	1.2
281.22601	9.5
295.24292	2.3
309.26041	1.2
337.10965	1.0
337.28940	100.0
338.29324	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	337.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75547	4.4
55.05262	3.9
55.05501	21.5
57.03415	6.2
57.57516	4.0
60.87460	3.7
67.05502	41.5
69.07064	26.9
69.10550	29.2
79.05482	20.6
81.07054	68.2
81.39245	3.9
83.08623	11.8
91.05484	12.1
93.07037	31.2
95.08602	65.9
97.10157	8.3
105.07018	31.0
107.08604	37.9
109.10148	31.7
111.66252	4.0
119.08581	31.6
121.10145	24.8
123.11726	16.6
131.08554	10.0
133.10118	23.1
135.11703	14.6
143.08562	9.9
145.10126	24.0
147.11678	15.5
149.13277	11.4
157.10107	20.4
159.02013	5.4
159.11638	22.0
161.13315	10.7
163.14847	4.3
171.11659	11.9
173.13226	9.3
175.14877	7.1
177.16396	6.7
185.13322	7.8
197.13150	8.9
199.14859	10.8
201.16446	6.3
211.14838	7.8
213.16310	14.3
215.17961	8.6
225.16371	9.9
227.17850	5.4
239.17856	6.0
241.19334	6.2
253.19652	7.3
267.06439	5.3
267.21088	6.6
281.15302	6.1
281.22842	4.7
293.81723	4.3
337.10553	10.6
337.22198	6.1
337.29016	100.0
338.28848	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	338.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50854	0.1
51.02379	0.4
53.03945	0.2
54.12915	0.1
55.01852	0.2
58.04647	0.1
65.03943	0.9
70.16099	0.2
70.16411	0.2
73.39127	0.2
78.03446	1.4
79.05476	0.3
81.03413	1.9
91.05480	0.9
93.07036	0.1
95.04967	0.4
96.04487	100.0
97.04213	0.3
97.04802	1.7
98.41167	0.2
100.07623	0.4
103.05453	0.5
103.72925	0.1
105.07018	0.5
107.04953	4.7
109.02869	8.4
111.04443	0.5
115.05446	0.5
117.07014	3.0
117.89953	0.1
119.04929	3.2
121.03975	0.5
121.06511	0.2
128.06204	0.7
129.07018	0.3
131.04936	0.7
133.06503	1.0
134.07259	1.6
135.08052	4.1
136.07556	1.6
136.08492	0.2
145.06491	2.2
145.73622	0.1
149.78284	0.1
151.57301	0.1
155.06041	0.6
157.06480	1.4
173.05975	6.9
174.06351	0.3
178.01331	0.2
181.48122	0.1
187.07567	0.1
201.05460	9.0
202.05887	0.3
222.18590	0.2
234.07640	0.2
243.10144	7.4
244.10637	0.2
244.37642	0.1
274.97552	0.2
338.10132	0.2
338.13831	2.7
338.27496	0.3
339.13980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19753	0.5
57.07069	0.5
61.42066	0.4
65.03947	0.8
68.05043	0.6
71.08636	0.5
78.03460	1.8
79.05511	0.6
81.03436	2.4
84.60749	0.4
88.91129	0.5
89.06029	1.0
91.05476	2.0
95.04941	0.6
96.04490	100.0
97.04819	1.6
98.97593	0.8
100.07628	2.0
103.05488	1.5
105.07002	0.8
107.04971	2.3
109.02872	6.5
115.05447	1.1
116.98639	0.6
117.07023	2.7
119.04945	6.4
122.02419	0.7
128.06187	0.8
129.06967	0.7
131.04932	3.6
133.06494	1.8
133.08664	0.6
134.07263	4.8
135.08066	2.6
136.07567	1.4
145.06494	2.5
155.06026	0.9
164.03474	1.7
170.77007	0.5
173.05989	2.9
191.02113	0.9
192.02905	14.0
193.03365	0.5
195.82794	0.4
201.05461	9.7
206.04495	0.7
210.03978	0.7
222.18504	0.8
234.03981	10.3
234.07588	0.9
239.38675	0.6
243.10159	7.9
252.05089	1.0
274.97629	1.2
292.98605	0.8
296.09265	2.2
303.80356	0.4
338.10220	16.9
338.13934	3.2
338.27798	2.0
339.10312	0.6
339.27591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42902	0.4
55.05506	0.9
57.03410	0.4
58.69271	0.4
64.51971	0.4
67.05484	1.1
69.03437	0.4
69.07066	0.7
69.76350	1.0
69.76672	0.4
76.01804	0.3
77.03947	0.3
79.05500	0.7
81.07049	1.4
82.54865	0.4
83.08623	0.4
84.08142	0.6
91.05490	1.4
93.07073	0.4
94.35302	0.3
95.04950	1.9
95.08594	1.2
96.04491	2.1
96.08115	0.6
98.97581	0.7
100.07611	1.7
103.05427	0.7
105.04533	0.7
105.06997	2.0
112.03961	100.0
113.04325	1.6
115.05470	0.8
116.98590	0.4
119.04932	5.3
128.06236	0.9
128.74968	0.4
129.06996	5.5
131.04956	1.2
133.06477	1.5
134.07269	5.6
138.01843	0.6
141.07008	1.0
152.07068	3.6
157.06487	0.8
178.01352	2.9
181.06482	0.4
185.05954	9.5
186.06349	0.7
199.07553	1.0
222.18613	1.0
227.10660	6.8
234.04149	0.5
234.07536	2.2
274.97516	0.7
282.07544	1.0
320.27072	0.6
337.27301	1.1
338.06812	0.5
338.10162	0.5
338.13828	6.3
338.28030	2.1
339.14246	0.4
339.27643	0.9
347.64359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1386
Annotation	Dihydroberberine
Peak:m/z	Relative Intensity
55.05508	6.1
57.03432	3.4
57.07051	1.8
66.31310	0.3
67.05170	0.7
67.05502	11.3
68.01382	0.5
68.05030	0.6
68.05812	1.7
68.06136	0.4
68.99770	1.1
69.07065	7.7
69.49978	2.0
70.06565	0.4
70.07379	1.0
70.43562	0.4
70.99123	0.4
71.04986	0.4
79.05479	3.6
80.05804	0.5
81.07054	11.0
82.07371	1.8
83.08620	2.8
84.08105	0.4
85.06546	0.4
86.02405	0.5
91.05466	3.2
92.78130	0.4
92.99763	0.7
93.07040	3.3
94.07364	0.8
95.04961	0.8
95.08599	8.6
96.07535	0.6
96.08113	10.8
96.08908	1.9
97.06503	1.1
97.10159	2.2
97.45438	0.4
100.07600	1.3
103.05456	2.2
105.03372	0.5
105.07016	1.8
106.07368	0.6
107.08575	1.6
109.10152	3.2
110.10449	0.9
111.00803	0.9
111.08064	0.4
111.11665	0.5
115.97347	0.4
119.08556	1.2
120.08132	0.5
121.10113	1.5
122.06008	1.6
122.10534	0.4
123.11684	0.8
124.07604	2.2
131.04904	2.9
133.10118	0.9
135.11647	0.8
137.13199	0.7
138.01845	3.9
139.00278	2.8
147.11650	1.0
148.12094	0.4
150.01805	0.5
160.07585	0.7
161.13153	0.6
163.06363	0.4
164.03394	1.2
164.07074	0.8
166.01350	2.7
167.02126	1.0
178.01350	19.2
178.08542	0.7
179.01740	0.5
188.07031	0.8
190.04977	0.5
191.05740	1.5
192.02910	1.3
192.06567	4.2
205.03731	1.5
206.08099	6.2
210.07593	4.6
216.06493	0.8
234.07597	100.0
235.07924	3.9
249.10629	0.4
261.21994	0.5
263.23688	0.5
264.24112	0.6
296.12823	0.7
337.27292	7.5
338.13843	97.8
338.27634	7.1
339.14136	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	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39814	1.5
52.98680	1.6
54.78956	1.6
55.05512	4.3
56.05049	1.5
57.03425	3.3
67.05498	7.4
68.99774	2.6
69.03418	7.9
69.07077	1.9
69.21582	9.6
69.21969	3.0
70.06572	1.9
70.94080	1.6
71.01332	2.5
71.08633	27.3
72.08138	5.5
73.02918	2.0
79.05483	3.1
81.03410	5.6
81.07043	7.3
83.08630	2.1
85.02917	8.2
85.06499	2.2
89.03905	3.5
91.05478	4.4
92.46188	1.5
93.07053	5.5
95.01312	5.1
95.04921	2.2
95.08623	4.8
96.08931	2.3
97.02885	1.8
97.06536	3.0
98.23436	3.2
99.08091	37.3
105.07024	2.6
107.08580	3.6
108.08913	2.5
109.06524	2.6
109.10172	4.6
109.86333	1.8
113.02373	3.4
117.03378	8.4
119.08586	4.3
120.08139	1.7
120.08968	2.2
121.02885	3.7
121.06517	4.2
124.12042	3.0
127.11197	34.3
137.02339	2.0
137.05858	1.8
137.09607	1.9
138.02670	1.8
141.01811	6.2
145.02837	17.6
145.12233	100.0
146.12526	2.8
149.05992	3.5
152.67432	1.7
167.10587	2.3
177.05450	29.1
206.16418	1.9
217.99380	2.1
218.98495	2.5
224.16483	1.7
246.04739	2.2
248.06346	5.3
261.09119	2.2
274.04205	8.4
279.10208	9.1
292.05283	3.8
295.09586	3.8
305.81708	1.9
320.23035	16.8
321.09674	2.3
321.25470	2.4
338.05215	10.8
338.23947	6.4
338.27753	2.5
339.08655	3.4
339.12234	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	338.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80470	1.7
53.03957	3.4
55.01870	7.4
56.20209	1.7
57.74687	1.9
63.21716	1.9
67.05492	3.1
69.03445	5.7
69.15624	11.4
70.71112	1.7
71.05002	2.2
78.36750	1.8
79.05495	4.4
81.03422	15.5
81.07047	11.8
85.02899	10.3
89.03931	5.6
91.05475	2.6
95.08591	13.6
97.02908	3.4
97.05893	3.1
97.06528	56.7
99.04442	2.6
109.02892	5.6
117.03367	25.3
123.08076	14.4
127.03901	3.9
141.09102	65.3
145.02847	58.7
149.05988	5.9
159.10207	4.8
161.83798	1.9
162.11276	4.3
163.03940	4.1
177.05463	100.0
179.43759	1.7
195.06465	2.4
242.90100	2.0
321.09625	11.5
327.24619	2.1
335.31317	2.0
338.07407	3.7
338.11435	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	339.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38454	5.6
56.96566	9.4
66.64471	4.1
69.07070	5.7
70.06593	5.8
72.08157	6.8
83.06089	10.0
84.08174	5.6
84.44781	5.1
98.86057	4.7
98.97566	32.7
116.98624	13.6
117.03374	20.8
128.98671	4.9
131.12955	7.5
131.71786	5.0
134.99670	9.6
136.06168	7.6
137.06075	5.6
143.10690	5.3
145.02847	53.2
149.06013	5.0
162.03427	4.6
177.05453	100.0
180.97943	5.5
184.11292	4.5
195.03198	5.5
196.14485	9.0
197.15231	4.6
198.98941	7.7
201.09190	5.3
219.01973	5.3
237.02782	6.2
256.96271	5.6
272.11310	4.4
274.97488	38.2
292.98511	24.2
338.20621	5.9
339.07947	25.2
339.16599	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	339.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23978	0.2
53.03978	0.8
55.01892	0.6
55.05528	0.6
57.03450	0.4
65.03662	0.2
65.03975	1.0
66.04756	1.1
67.05096	0.4
67.05531	1.5
68.99780	2.8
69.03426	3.3
70.06599	0.4
70.55630	0.5
71.01374	0.5
77.03941	0.5
79.05519	0.8
81.03418	4.5
82.04227	0.4
83.01395	0.3
83.04515	0.6
83.04974	3.8
83.05435	0.3
84.08158	0.6
85.02934	1.0
86.09742	0.8
89.03911	2.0
91.05479	2.3
93.03410	1.5
94.04221	0.7
95.04421	0.5
95.04973	4.1
95.05518	0.4
97.02890	3.5
97.06521	0.2
99.04427	0.3
100.07635	0.4
102.50370	0.2
103.05466	3.8
105.03407	3.0
105.04540	0.7
105.07073	0.5
107.01345	0.4
107.04958	0.5
107.08601	0.3
108.02161	0.7
109.02882	7.2
110.03229	0.5
110.06026	1.3
111.04429	3.5
115.63240	0.2
117.03373	5.1
118.03687	0.3
118.10932	0.3
121.02863	1.7
122.03654	0.9
123.04439	8.0
127.00270	0.3
127.03931	0.5
131.04926	8.6
131.05891	0.5
131.08607	0.3
132.05287	0.4
133.02856	2.3
135.04456	0.8
137.02344	2.9
139.03908	0.9
145.02846	12.1
146.03235	0.3
149.02390	1.0
149.05962	1.6
149.09615	0.5
150.03043	0.9
151.03900	3.4
155.03413	1.0
161.02347	3.0
163.03885	2.4
165.01848	3.1
166.99878	0.3
167.03371	0.4
169.01302	1.2
177.01886	1.1
177.05461	21.0
178.02554	2.6
178.05733	0.3
179.03381	14.7
180.03772	0.3
181.04987	0.7
181.06438	0.3
183.02908	1.6
185.00861	0.3
189.01805	1.5
191.03416	0.9
191.10718	0.3
193.01314	0.8
195.06511	0.8
195.08069	0.4
197.04240	0.5
206.02055	1.7
206.04460	0.4
207.02870	37.3
208.03215	1.3
208.06163	0.6
209.04358	0.3
209.11726	0.4
211.02350	0.5
215.03453	0.4
219.02905	0.3
221.00777	1.0
222.01128	1.5
223.02379	0.6
224.02843	0.5
225.03920	4.9
227.07141	0.3
233.04361	0.4
234.01576	3.8
235.02339	100.0
236.02670	3.0
236.05513	2.1
247.07530	0.3
251.06943	0.4
252.02641	4.5
253.03096	7.1
254.06482	0.7
261.03943	0.3
267.09888	0.3
269.08005	1.1
279.06235	0.3
293.08084	0.5
295.05978	0.3
296.06277	1.0
297.07520	4.5
298.07846	0.4
311.09009	3.5
312.12305	0.3
321.10120	1.3
339.08319	16.4
340.08432	0.7
340.11673	1.1
341.06436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
57.03436	0.7
63.02377	0.7
69.03425	5.4
69.25720	2.5
69.26130	1.4
71.04975	1.2
81.02962	1.0
81.03413	13.3
85.02905	5.6
89.03910	5.9
91.05460	1.5
97.02897	3.0
99.04439	1.4
100.07582	1.7
103.05485	0.9
106.04188	0.6
109.02880	5.7
117.03369	22.0
122.63545	0.6
127.03916	2.0
131.04912	1.9
134.03661	1.1
135.04390	1.7
145.02837	53.1
146.03221	1.3
146.94345	0.6
149.05949	6.4
162.03134	0.9
163.03922	1.4
177.05453	100.0
178.05840	4.2
194.04390	0.7
195.06502	2.9
207.02760	0.7
236.05432	0.9
253.03583	0.6
259.89154	0.7
311.12799	1.1
321.09723	12.7
339.11475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.13153	0.4
57.03442	1.1
62.08826	0.4
63.02364	0.5
65.31358	0.4
69.03427	5.8
71.04993	0.8
73.02911	0.8
81.03416	15.1
85.02901	5.5
89.03919	7.2
91.05503	0.7
95.04943	0.5
97.02897	2.5
97.12124	0.3
98.22704	0.9
99.04438	1.7
101.45041	0.3
103.05460	0.9
106.04205	0.6
109.02874	6.2
110.06043	2.4
111.04392	0.4
117.03376	23.6
118.03701	0.6
122.65173	0.4
123.04443	0.6
127.03904	2.3
131.04932	1.2
134.03653	2.5
135.04390	1.6
137.05998	0.5
145.02841	56.0
146.03157	1.2
147.04439	0.4
149.05972	8.4
163.03828	1.8
177.05460	100.0
178.05844	3.3
179.03381	1.0
180.06651	0.4
191.03336	0.7
195.06544	2.9
207.02872	5.0
208.05984	1.2
222.18213	0.4
225.03885	0.9
235.07051	0.6
236.05519	4.4
237.03764	0.8
279.08405	0.8
311.09177	2.6
312.12350	0.7
321.09677	17.9
322.10156	1.0
323.09018	1.1
339.10757	3.2
340.11673	2.9
346.57782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.04537	0.5
53.03936	1.8
54.83620	0.4
55.01885	0.6
57.03428	0.9
63.02375	0.5
69.03423	7.2
69.25732	2.8
70.06586	1.4
71.04991	0.7
73.02905	0.8
81.02959	0.9
81.03415	13.1
85.02905	4.5
89.03911	9.9
91.05492	1.1
95.04948	0.5
97.02892	2.5
98.06048	11.3
99.04446	1.7
100.07630	0.6
103.05457	3.5
105.03353	0.6
106.04198	0.7
107.04892	0.5
109.02871	4.8
110.06025	1.8
112.07638	0.6
117.03376	27.2
118.03666	0.8
119.04916	0.7
126.05511	7.4
127.03896	2.4
131.04918	7.4
134.03603	1.8
134.96259	0.6
135.04398	1.3
140.07077	1.7
145.02844	55.1
146.03188	1.4
149.05980	9.0
163.03955	1.0
168.06572	1.5
175.03984	0.6
177.05461	100.0
178.05804	3.5
179.03587	0.5
180.67975	0.5
186.05449	0.7
191.03314	0.6
195.06546	3.2
203.03398	2.3
206.04512	0.6
207.02856	3.4
208.05943	0.7
212.05508	1.5
218.04463	1.0
236.05531	16.5
237.04016	0.6
279.08603	0.8
311.09143	1.4
312.12344	0.6
321.09659	15.1
322.10287	0.7
339.10745	1.9
340.11783	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	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
57.03441	1.6
62.74197	0.2
63.02373	0.6
69.03429	10.5
69.07297	0.7
69.07697	1.1
71.01354	1.2
71.04977	0.8
71.19065	0.2
73.02908	0.4
78.04690	0.5
81.03416	4.0
85.02901	5.3
89.03919	7.9
89.04468	0.6
91.05473	0.6
95.04940	0.4
97.02890	21.5
99.04456	1.3
101.02349	1.0
103.05450	0.7
105.04512	0.3
105.12932	0.3
106.04175	0.8
109.02885	1.1
117.03376	26.5
118.03709	0.5
124.78083	0.2
127.03922	1.8
131.04932	0.6
134.03618	2.1
135.04427	1.2
145.02846	59.2
146.03180	1.9
149.05972	8.1
162.03082	0.4
163.03909	1.1
177.05466	100.0
178.05843	3.1
186.05510	0.5
195.06519	4.3
207.02911	0.6
207.05035	0.4
217.61345	0.2
236.05511	2.3
254.06537	1.4
279.08643	0.9
321.09671	4.3
322.10208	0.4
339.10718	9.2
340.11490	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03940	1.0
54.55129	0.5
57.03417	1.3
60.72729	0.5
63.02381	0.5
67.05495	0.9
69.03427	10.4
70.06573	1.4
71.01349	1.3
71.04970	0.6
73.02887	0.5
79.05474	0.6
81.03420	5.0
84.08140	0.6
85.02901	5.8
89.03918	8.4
91.05471	1.2
93.07053	0.7
95.04961	0.9
97.02891	20.8
99.04440	1.4
99.83623	0.5
100.07633	4.2
101.02378	1.2
103.05499	1.0
103.81738	0.5
106.04204	0.7
107.04963	0.5
109.02880	2.1
110.06031	1.4
117.03376	26.6
119.04952	0.8
127.03909	1.4
131.04935	2.3
134.03601	1.7
135.04419	1.6
145.02843	58.8
145.10117	0.5
146.03203	1.5
147.04437	0.7
149.05975	8.2
160.39198	0.5
163.03931	1.7
171.14842	1.1
175.03976	0.8
177.05466	100.0
178.05811	2.9
179.03407	0.6
186.24446	0.5
195.06519	3.5
206.45984	0.7
207.02855	2.2
207.06403	1.0
218.04495	0.8
218.07271	1.1
219.08049	1.9
222.18855	0.7
224.20111	1.7
235.07285	0.9
236.05437	0.6
247.07576	1.7
261.09018	0.6
264.07761	1.3
265.08640	0.8
275.04474	0.6
278.05728	1.4
279.10513	0.8
280.10483	0.6
281.08206	0.5
292.07339	0.6
293.08313	0.9
306.99866	0.7
307.09598	1.0
321.10315	3.3
324.01437	0.5
336.53925	0.5
339.04880	0.9
339.10776	7.8
339.28638	0.6
340.11621	1.2
340.29578	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03935	0.9
57.03432	1.2
63.02370	0.5
69.03428	8.8
69.27871	1.6
71.04967	0.8
75.23213	0.4
78.04703	0.5
81.03415	3.9
81.07059	0.5
85.02894	3.8
89.03909	8.2
91.05476	1.1
93.07078	0.5
95.04987	0.6
95.08592	0.7
97.02885	15.7
99.04449	1.6
101.02348	0.8
106.04150	0.5
107.03004	0.4
107.04952	1.1
109.02886	1.8
117.03365	28.2
118.03682	0.8
119.04898	1.0
119.08566	0.4
121.02862	0.7
121.06469	0.7
123.04393	0.5
127.03905	2.0
134.03618	2.4
135.04391	1.5
137.05969	0.4
145.02832	57.1
146.03201	1.6
147.04399	2.1
149.05972	9.2
163.03886	1.4
166.76868	0.4
177.05450	100.0
178.05788	2.9
186.05511	0.9
187.84726	0.4
195.06494	3.9
267.09943	0.6
274.97382	0.5
279.08237	0.5
295.09570	0.7
307.09598	0.6
311.12808	0.9
321.09604	3.3
339.10889	7.6
339.17706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03931	1.0
55.01862	1.2
57.03431	1.3
63.02384	0.5
66.35315	0.4
69.03426	6.2
71.01322	1.0
71.04978	0.7
78.04679	0.5
79.05515	0.6
81.03412	4.3
85.02889	4.8
87.04450	0.6
89.03905	9.3
91.05461	1.2
94.04178	0.6
95.04952	0.5
95.08552	0.7
97.02886	16.2
99.04486	0.7
101.02350	1.1
103.05463	0.9
105.03337	0.5
105.06998	0.7
106.04144	0.7
109.02875	2.2
116.06135	0.4
117.03374	22.6
121.06539	0.7
122.03604	0.7
127.01486	0.5
127.03907	2.0
131.04936	1.0
133.06450	0.7
134.03633	2.2
135.04395	1.5
137.05971	8.1
144.05650	0.7
144.70523	0.4
145.02834	55.4
146.03253	1.7
147.04387	0.5
149.04854	0.7
149.05960	8.5
155.04906	1.1
161.05971	4.4
162.03062	0.6
162.06682	0.8
163.03906	1.0
165.05466	3.8
175.07507	1.6
177.05453	100.0
178.05817	3.7
179.08565	0.6
183.04384	0.8
187.07555	1.5
189.06975	1.4
190.07742	1.9
191.08543	2.4
195.06500	3.0
201.06995	0.7
203.08574	0.7
207.08104	1.4
208.08836	1.1
215.07053	2.4
217.06509	0.8
218.07253	4.3
218.98698	1.6
219.08003	4.7
220.08844	0.5
229.06448	1.7
230.07245	0.8
233.05807	0.6
233.09572	0.5
234.06696	0.8
235.07590	2.9
236.08218	1.5
246.06740	5.1
247.07544	5.2
248.08223	0.6
249.09123	1.4
251.07013	0.6
251.10619	1.7
253.08673	0.6
254.11958	0.5
257.05878	1.6
258.06796	0.6
259.07434	0.9
261.09103	6.7
262.06271	1.0
262.09686	0.8
263.06976	2.5
264.07776	2.5
265.08585	1.6
274.06210	2.8
275.04309	0.5
275.06848	2.3
276.07675	0.8
277.08530	3.4
278.09363	2.1
279.10281	4.5
289.08572	7.1
290.09131	1.6
291.06482	1.2
292.07211	0.7
293.08252	0.7
293.11472	0.7
294.08704	0.7
295.09579	1.7
296.10498	0.5
305.08270	0.5
306.08896	3.2
307.09607	10.5
308.10162	1.0
309.07864	0.5
309.11179	1.8
311.12726	3.0
321.11319	7.8
324.09790	0.5
339.12213	12.6
340.12323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
56.39994	0.5
57.03428	0.8
69.03427	6.2
70.06574	0.6
72.08149	1.2
75.93145	0.6
79.05440	0.5
81.02957	0.9
81.03410	11.4
82.95152	0.5
85.02903	4.5
89.03905	6.6
91.05470	1.4
95.04940	0.5
96.99690	0.5
97.02876	1.0
98.97569	1.8
99.04433	1.8
106.04153	0.5
107.08640	0.5
109.02871	3.8
110.07139	0.5
114.10370	0.7
115.44859	0.5
116.98622	1.3
117.03375	21.7
119.04982	0.5
120.08150	0.5
127.03902	3.3
131.12933	1.3
134.03601	1.6
135.04410	1.3
137.05917	0.6
145.02837	58.2
146.03174	1.3
147.04280	0.4
149.05965	7.4
159.95927	0.5
163.03909	1.7
177.05458	100.0
178.05789	3.1
181.04924	4.8
186.05496	0.8
195.06534	2.6
236.14856	0.5
257.04559	0.6
261.03976	0.6
261.07535	0.5
274.97464	2.3
275.05530	0.6
292.98572	1.1
321.06186	0.6
321.09613	11.1
339.06940	0.8
339.10626	2.9
339.16736	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	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15726	0.4
53.03939	0.6
54.66305	0.4
55.01884	0.6
57.03415	0.6
64.19831	0.4
66.79562	0.3
67.01868	0.6
69.03433	1.9
70.06596	1.7
71.01369	0.5
71.05007	0.7
72.04489	0.5
72.08150	0.9
72.58237	0.3
79.05497	1.5
79.49205	0.3
81.03423	1.6
81.07084	0.4
84.08150	2.1
85.02911	3.2
89.03913	9.2
91.05491	1.5
93.07078	0.5
95.05010	0.4
97.02885	1.7
97.08938	0.5
98.23485	1.1
99.04472	1.0
100.07621	6.4
101.07953	0.7
103.05487	1.3
105.01877	0.7
105.07014	0.4
106.04171	0.5
107.04935	0.5
107.08577	0.6
108.08088	0.5
109.02858	0.6
110.09695	0.5
116.93898	0.4
117.03381	26.6
118.03724	0.6
119.04877	0.6
123.00789	0.6
126.09129	0.6
127.03913	1.2
131.04927	1.8
134.03642	1.6
135.04395	2.1
137.05986	0.4
145.02847	60.9
146.03188	2.2
147.04398	0.4
149.05974	8.2
161.06003	0.4
163.03883	0.8
169.01315	0.5
171.14952	1.4
177.05470	100.0
178.05782	3.3
187.02441	0.5
187.03894	3.9
195.06506	0.6
204.17435	0.6
208.13229	0.4
209.00783	0.9
213.09125	0.4
222.18524	1.8
223.18900	0.8
229.05032	0.5
236.01875	1.0
241.04951	0.7
257.04425	8.2
258.04822	0.6
261.07550	0.4
279.08493	0.6
285.03879	1.8
303.04980	2.0
320.26971	1.2
321.09705	1.0
323.05392	0.7
338.28128	2.4
339.10724	3.8
339.28152	2.0
340.22253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03942	2.1
55.01867	0.6
57.03433	1.2
61.02918	0.5
63.02376	0.6
64.32752	0.3
69.03429	8.2
70.06590	1.6
71.04993	0.9
71.25040	0.5
72.08161	0.6
73.02929	0.5
79.05484	0.6
81.03416	15.2
85.02905	5.2
86.86642	0.4
87.04499	0.5
89.03917	9.8
91.05493	1.6
93.07032	1.0
94.23135	0.3
95.05011	0.4
96.08151	0.5
97.02888	2.0
99.04431	2.4
100.07623	2.9
103.05478	0.7
106.04163	1.0
107.04977	0.6
108.08134	0.7
109.02879	5.0
109.04015	0.6
117.03375	34.6
118.03699	1.1
119.04873	0.7
121.06479	0.4
124.05207	0.5
126.04302	0.5
126.09155	0.9
127.03909	2.5
129.04489	0.4
131.04935	1.2
131.08519	0.5
134.03616	3.0
135.04434	2.6
135.08008	0.5
137.05972	0.5
139.07558	0.5
140.52438	0.5
145.02844	76.5
146.03183	1.8
147.04416	0.5
149.05975	10.9
163.03943	1.9
177.05464	100.0
178.05786	4.1
186.05463	0.5
187.03857	2.1
192.13841	0.5
195.06557	2.7
210.15047	0.5
233.08151	0.5
252.20671	1.2
253.21019	0.8
257.04379	3.4
277.15714	0.6
285.03931	1.0
303.04929	1.4
321.09668	11.6
322.09955	0.7
338.27841	0.8
339.11020	1.9
339.28256	0.9
340.22168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
53.00319	1.6
53.03939	1.3
55.01865	2.5
55.05510	35.2
65.03934	1.5
67.05504	2.4
69.03432	1.1
69.07089	0.6
69.35904	0.6
71.42762	0.7
79.05482	2.5
81.03408	1.7
81.07045	2.1
83.08633	0.7
84.05621	1.9
85.02895	0.7
85.11533	0.6
89.03925	1.0
91.05473	18.1
93.07038	3.2
93.17866	0.7
95.04937	2.2
95.08605	1.4
97.02885	1.1
98.94708	0.7
98.97572	1.4
103.01817	0.8
103.05454	2.3
105.03388	6.8
105.07024	2.6
107.04939	4.3
107.08589	1.0
109.02916	0.9
109.06519	1.1
109.10168	0.8
111.04449	1.4
113.26165	0.6
115.05444	4.7
116.98651	0.9
117.03387	2.5
117.07018	8.9
119.04935	17.3
119.08536	4.1
121.02888	2.9
121.06483	1.8
121.10178	0.9
123.08060	1.0
127.01516	1.6
128.06248	3.5
129.06990	4.1
130.14626	0.7
131.04909	2.8
131.08551	0.9
132.05675	2.3
133.02885	0.9
134.07224	0.9
137.05956	2.7
137.09639	1.1
143.04918	1.3
145.02850	6.7
145.06465	7.6
147.04399	33.6
147.08046	9.2
148.04805	1.2
149.02365	1.0
149.05981	0.8
151.03908	14.8
153.06915	0.7
155.06026	2.3
155.07135	1.4
155.08636	1.2
157.06490	10.7
157.07686	1.2
160.05244	0.9
163.07550	2.2
165.01839	25.0
165.05582	0.8
165.07010	2.6
165.09088	3.6
171.04370	6.6
173.05972	5.3
175.07539	100.0
176.07889	3.5
177.01839	3.4
177.05478	12.1
181.72897	0.7
183.08099	1.8
191.03392	0.9
191.07001	8.8
192.07632	1.1
193.06497	1.9
193.08592	5.8
195.01183	1.1
195.02864	10.4
195.06459	1.0
201.05449	19.1
207.06511	1.9
210.09024	0.8
211.07501	3.4
217.04831	0.8
219.06512	45.7
220.06848	2.0
221.05975	3.8
223.07573	1.5
223.96136	0.7
237.03818	1.7
237.07559	24.8
239.06996	4.7
249.05556	1.3
253.08624	2.3
267.06525	20.2
267.09793	1.3
268.06918	1.0
271.06131	0.9
274.97516	2.8
275.16345	1.0
287.36264	0.7
292.98495	1.2
293.11624	1.8
293.17325	1.2
295.09671	2.0
295.12927	1.7
297.08102	0.9
303.15930	6.9
307.09708	0.9
321.11108	1.8
321.16953	15.0
339.08432	1.3
339.12222	12.8
339.18127	7.5
339.21579	1.1
340.12704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
50.32806	0.4
65.03939	5.6
67.05482	0.6
69.03422	1.8
70.11411	0.4
70.70540	0.5
79.05492	1.4
81.03391	1.5
81.07040	0.8
85.02883	0.8
87.19384	0.4
89.03909	1.0
91.05474	10.2
93.03400	6.3
93.07031	0.9
95.04960	20.3
95.08608	0.7
97.02860	0.9
103.05467	0.8
105.07007	1.2
107.04960	2.1
107.08540	0.4
109.02873	0.8
109.10186	0.4
111.04435	3.6
114.42033	0.4
115.05457	1.1
117.03362	2.8
117.06985	2.1
119.04934	23.9
121.02854	19.8
121.06492	1.0
122.03191	0.5
123.04471	0.7
123.08056	1.0
127.03922	0.4
133.06453	0.7
139.03876	6.5
145.02841	7.6
145.06461	1.3
147.04393	100.0
148.04692	3.2
149.02342	0.8
149.05959	5.0
149.99687	0.4
152.41252	0.5
153.06934	0.5
163.07497	0.4
171.08035	0.8
173.05934	0.7
175.07489	0.5
177.05466	16.4
181.08594	0.7
182.39778	0.4
191.07037	3.6
195.04875	0.4
195.06509	2.1
195.08078	1.2
199.07483	3.0
201.05444	0.8
207.06297	0.4
215.07001	0.6
219.06453	6.2
223.07536	1.4
226.06180	1.6
227.10686	0.7
237.07552	4.1
241.08571	51.8
242.08975	2.1
251.10573	0.8
255.06496	0.6
269.11694	5.8
279.10077	0.8
293.11841	0.5
295.09451	0.5
307.09479	0.5
311.12726	1.3
321.10443	0.6
339.09149	0.4
339.12250	4.8
340.12570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1227
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.03940	1.9
55.01876	7.4
56.20402	1.0
57.03424	1.5
59.17228	1.0
63.02387	1.3
66.04723	2.1
69.03426	7.2
69.77934	3.6
72.90704	1.2
77.03902	1.6
79.05470	2.1
81.03410	7.5
81.07049	2.5
85.02902	4.1
89.03923	8.2
91.05473	5.9
94.04166	3.9
95.04973	2.2
97.02885	12.0
103.05451	7.3
105.03385	1.2
105.07031	7.2
107.04962	3.0
109.02877	2.3
109.06513	3.6
115.05425	4.3
116.06178	1.2
117.03367	24.6
118.04132	1.4
119.04988	1.2
119.08594	1.4
121.06484	3.3
122.03620	8.3
127.01586	1.9
129.07014	1.4
130.04172	2.2
131.04936	4.9
132.05681	1.5
133.06499	3.7
134.03587	2.5
135.04422	1.9
136.01584	1.1
137.05969	60.7
138.06340	1.9
144.05690	3.2
145.01686	2.9
145.02837	56.3
145.06488	1.6
146.03630	9.3
147.04399	4.3
149.05971	11.9
151.03902	2.4
152.06287	1.2
155.04893	9.8
159.07991	2.0
161.05972	33.9
161.07341	2.1
162.06686	3.3
163.03915	3.2
163.07570	3.6
164.08124	1.2
165.05484	21.2
165.06984	4.2
171.04442	1.3
172.05202	4.0
173.76193	1.4
175.07530	8.2
177.05455	100.0
178.05815	3.1
178.07764	3.5
179.08549	5.1
180.09244	1.4
181.06554	1.8
183.04457	6.6
184.05267	1.6
187.07539	10.5
189.05481	2.2
189.06976	14.3
189.82341	1.1
190.07753	17.0
191.06981	2.1
191.08546	21.3
192.08998	1.9
193.06473	2.0
194.07272	2.6
195.06554	2.1
195.08095	1.5
200.04669	1.6
200.06313	1.9
201.07027	4.7
202.07771	5.4
203.08559	3.6
205.06497	5.1
206.07256	3.6
207.08049	10.6
208.08771	5.8
215.06953	18.5
217.06477	4.8
218.07246	34.1
218.98773	3.9
219.08034	36.8
220.05203	1.9
220.08704	7.4
221.05977	4.8
221.09579	3.6
222.06708	2.0
223.07594	2.4
223.11111	1.6
224.08395	1.5
229.06390	14.4
230.07236	4.9
231.08154	5.5
232.08910	1.3
233.05948	3.3
233.09554	7.0
234.06740	10.3
235.07501	25.9
236.08321	14.4
237.05426	2.4
237.09116	4.5
239.06894	1.5
245.05864	5.7
246.06731	33.6
247.07524	42.9
248.08252	7.0
249.05522	3.5
249.09059	10.0
250.06252	3.6
250.09848	4.4
251.06996	4.2
251.10667	13.2
253.08606	3.2
257.05951	12.2
258.06808	4.3
259.07568	6.0
260.08368	2.1
261.09076	52.6
262.06351	5.0
262.09607	3.9
263.06998	23.4
264.07764	18.2
265.08557	11.1
267.06451	1.3
269.08170	1.9
271.07538	1.8
273.05478	2.8
273.09018	1.5
274.06198	24.0
275.06970	18.3
276.07617	5.8
277.08569	22.6
278.09323	13.1
279.10144	33.4
280.07446	1.8
280.10672	3.2
281.08090	5.5
283.09814	1.8
289.08588	48.7
290.09329	9.2
291.06546	10.5
291.09726	1.8
292.07193	5.4
293.08109	3.7
293.11728	3.4
294.08786	6.7
295.09616	8.8
296.10422	5.1
297.11194	2.2
305.08127	2.7
306.08789	19.1
307.09598	55.5
308.10172	4.9
309.07736	2.6
309.11267	12.3
311.09225	2.4
311.12668	14.9
321.11252	54.3
322.11597	4.8
324.10004	3.3
339.12283	76.7
340.12512	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	339.1228
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
53.03944	1.4
55.01872	11.4
58.18509	0.9
62.04689	1.0
67.05496	1.8
69.03426	6.5
69.57472	2.2
69.57866	2.6
79.05493	3.9
81.03412	13.7
81.07047	3.0
82.17156	0.9
85.02896	4.5
87.46687	1.0
89.03912	9.7
91.05480	4.9
93.07053	1.4
94.04178	3.2
95.04973	2.2
97.02899	1.7
97.33382	1.1
98.97578	2.4
99.04501	1.8
103.05470	6.0
105.07020	8.3
107.04951	2.5
109.02896	5.5
109.06499	4.6
115.05450	2.5
117.03377	24.5
119.04943	3.6
121.06492	1.5
122.03641	4.1
127.01550	1.7
127.03918	2.3
128.06207	1.4
129.07056	1.7
130.04178	1.5
131.04932	7.0
133.06488	5.0
134.03627	2.7
135.04405	2.1
137.05978	28.6
142.16431	1.0
144.05725	2.5
145.02841	54.6
146.03690	9.1
146.97708	1.1
147.04381	3.5
149.05957	9.1
149.09627	3.2
150.06348	1.4
151.03862	1.9
152.06180	1.4
153.06982	1.8
155.04926	8.8
161.05975	41.5
162.06757	1.7
163.03922	1.8
163.07527	3.4
165.05473	16.7
165.07007	7.0
172.05235	2.9
175.03900	1.7
175.07555	1.4
177.05461	94.9
178.05824	3.8
178.07820	3.0
179.07092	1.7
179.08548	3.8
181.06552	1.7
183.04414	3.6
186.05463	1.3
187.07530	5.3
189.05510	2.0
189.06990	7.8
190.07758	10.1
191.06999	1.7
191.08553	17.5
194.07156	1.4
195.06496	2.5
200.04750	1.8
201.07051	4.7
202.07742	5.2
203.08578	3.9
205.06525	5.6
206.07275	1.7
207.06361	2.3
207.08047	9.4
208.08807	7.2
215.06956	14.4
215.08598	1.7
217.06519	2.4
218.07280	17.2
219.08032	29.5
220.05283	1.3
220.08731	7.4
221.05963	8.0
221.09550	1.4
222.06558	2.8
224.08340	1.6
229.06425	6.7
231.08043	3.8
233.09627	3.9
234.06779	4.1
235.07501	17.9
236.08267	14.8
237.05527	1.8
237.09012	2.5
245.05936	1.9
246.06740	13.9
247.07527	30.8
248.08292	11.4
249.05441	4.4
249.09108	3.7
250.06232	2.9
250.09804	2.1
251.07050	3.2
251.10551	5.4
252.07935	2.2
253.08496	2.9
257.05972	8.2
258.06705	1.9
259.07529	10.5
260.08078	1.7
261.09094	14.8
262.06274	2.4
262.09381	1.7
263.07022	14.9
264.07767	18.1
265.08563	5.1
274.06244	13.2
274.97507	3.4
275.06979	13.4
276.07788	3.3
277.05658	1.3
277.08398	6.6
278.09406	4.3
279.10129	21.7
280.07251	2.7
280.10739	1.2
281.08081	3.6
289.08569	19.1
290.09222	3.5
291.06577	2.6
292.07281	4.9
292.98615	2.2
293.08115	1.9
295.09589	7.0
296.10352	2.1
306.08838	4.4
307.09610	100.0
308.10004	8.6
309.07632	1.3
309.11127	1.9
311.12552	5.7
321.10712	8.9
324.09781	1.6
339.12326	60.1
340.12784	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	339.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
57.07059	1.4
62.42392	0.4
62.97935	0.6
62.98250	8.4
67.05510	1.0
69.07044	1.4
69.16833	2.6
70.06565	0.6
74.60468	0.4
77.00873	0.5
79.05497	1.0
81.07041	1.5
88.07607	0.6
91.05460	1.1
93.07028	1.7
95.01959	0.6
95.04946	0.6
95.08579	1.2
95.12061	0.4
96.04472	0.6
98.97581	1.0
105.06998	1.3
107.08579	1.4
109.10192	0.7
115.80585	0.4
116.98556	0.7
119.08566	1.6
121.02893	1.0
121.10118	0.6
123.08071	0.5
131.08534	0.7
133.10112	0.5
145.10089	1.2
145.20184	0.4
147.11670	0.6
149.02293	2.2
151.03783	0.6
157.10143	0.8
159.11703	1.0
161.13234	0.4
167.03366	0.5
183.11670	0.5
187.14890	0.5
193.04961	3.0
193.06859	0.7
193.08575	6.8
197.13234	0.6
198.98903	0.4
217.08090	0.6
221.08101	4.3
224.65616	1.2
227.35318	0.4
253.19305	0.7
256.26379	0.8
267.06448	0.9
268.07202	1.9
274.97443	1.3
281.72424	0.5
299.18576	1.6
311.12759	3.3
315.18069	1.2
317.19556	3.3
321.17996	10.3
321.25720	0.6
322.18207	0.5
335.20596	2.4
339.12732	17.1
339.19009	100.0
339.27396	5.9
339.77722	1.6
340.12656	1.0
340.19308	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	339.1905
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
50.90857	0.3
51.14643	0.4
54.71923	0.4
55.05492	0.6
57.07068	0.9
67.05480	1.4
69.07055	1.5
71.08589	0.4
71.43401	0.3
79.05476	0.7
81.07041	1.4
83.08596	0.6
93.07037	1.0
95.08595	1.7
97.10146	0.5
98.97548	0.4
100.39375	0.3
105.07040	0.4
107.08518	0.4
109.10134	0.7
119.08552	0.6
121.10100	0.4
127.01553	1.6
133.10109	0.5
145.10144	1.0
157.10074	0.6
171.11659	0.5
181.10065	0.5
185.13193	0.4
274.97653	0.5
279.21127	0.9
283.16837	0.7
339.19034	100.0
340.19394	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	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
50.59066	1.2
51.58068	1.4
53.03936	1.8
55.05509	32.9
55.39373	1.2
57.03438	19.0
57.07071	19.2
67.05502	24.3
69.07063	46.0
70.00907	2.7
70.06610	1.7
71.04961	1.3
71.08652	6.0
75.31774	1.2
79.05478	9.3
81.07051	22.6
83.08614	28.8
84.28715	1.3
85.06526	1.8
85.10163	3.8
88.34720	1.5
93.07034	15.0
95.08604	27.1
97.06535	3.8
97.10161	17.5
97.22089	1.4
98.22795	2.2
100.07582	1.3
107.08591	9.1
109.10146	12.3
111.08078	2.8
111.11723	4.7
121.10139	13.3
123.11721	3.9
135.11697	11.5
143.65887	1.3
149.13274	3.9
153.12708	2.1
163.14793	2.3
165.16446	2.8
175.98250	1.1
191.18196	1.3
247.24240	4.6
265.25311	2.7
274.13177	1.6
339.28915	100.0
340.29172	8.5
340.39450	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	340.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01905	14.1
53.00277	1.8
59.63453	0.6
64.01885	0.6
67.05476	1.2
68.99767	1.8
69.34824	1.3
69.35217	1.1
70.06592	3.6
72.04462	0.6
80.01366	0.8
84.08111	2.0
98.09690	0.6
100.07019	0.8
100.07612	7.3
103.05423	1.7
104.01327	2.5
105.07020	1.1
109.64157	0.5
110.06010	0.9
120.00784	2.2
131.04913	5.3
132.05191	0.6
138.01816	1.0
144.06282	1.8
148.00282	48.7
149.00676	0.5
155.17691	0.5
166.01343	16.3
171.14963	0.8
175.99826	5.2
178.01311	0.7
179.03319	0.7
180.02979	0.7
192.02893	0.7
203.99246	2.7
206.19034	1.1
207.02827	1.6
220.06007	0.7
222.00311	100.0
223.00706	2.7
224.07019	1.7
224.20091	5.5
236.01906	12.7
236.05516	1.6
240.01353	28.3
241.01666	0.6
252.06561	2.6
269.38455	0.6
284.05475	1.0
308.05664	1.5
322.28418	1.0
326.06564	84.5
327.06873	3.7
340.08151	74.1
340.29431	7.3
341.08429	3.4
362.02206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79715	0.3
54.43062	0.4
56.05011	0.4
56.51302	0.3
66.23596	0.4
67.01577	0.8
67.01855	18.7
67.02219	0.9
67.05481	1.4
68.99783	1.0
69.49674	1.3
70.06568	1.6
79.01824	0.5
81.03366	0.4
83.04982	0.5
84.08119	1.2
91.05476	1.3
93.03381	1.0
94.00536	0.4
95.01319	5.5
95.04946	1.7
98.06038	1.2
100.07607	3.5
103.05450	2.3
105.03366	0.7
105.06979	1.8
107.01290	1.7
107.04945	0.6
109.02850	0.6
110.02362	0.7
110.06038	7.3
112.07581	0.8
123.04422	2.1
126.05546	0.6
131.04921	8.1
135.00766	11.0
137.02367	0.4
141.13026	0.4
151.04037	0.5
154.04933	2.0
163.00269	1.5
163.03871	1.3
165.01854	0.6
166.04945	0.4
168.06483	0.7
177.05504	0.7
178.05811	0.6
179.03413	2.2
180.06512	0.9
181.01299	14.1
187.07318	0.4
190.05023	0.7
190.99738	66.0
192.00024	2.0
199.02335	0.7
204.02859	1.6
207.02881	11.3
208.02408	18.3
208.05946	3.0
208.50279	0.4
209.00795	100.0
210.01143	3.2
210.07683	0.5
218.04434	0.9
218.99263	1.7
220.06050	1.1
222.03947	5.8
224.19992	1.9
225.03914	0.8
226.03404	2.3
227.01849	20.9
228.02202	0.7
236.01884	54.3
236.05408	10.4
237.00264	23.8
237.02077	1.1
237.04037	1.5
238.00615	0.5
240.05028	5.1
240.07254	0.7
254.03008	3.1
254.06470	1.1
255.01352	7.3
277.04944	0.5
294.11060	0.8
295.05997	21.4
296.06360	1.0
301.39011	0.4
308.09143	3.0
311.09058	6.3
312.08636	65.0
312.11819	2.6
313.09232	3.7
322.10678	1.1
323.09177	1.1
326.10303	1.1
340.08084	3.2
340.11783	8.7
340.29617	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	340.118
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
63.11825	0.5
67.05515	0.8
68.05034	1.9
68.99789	3.8
69.03418	2.9
69.05799	0.7
70.06591	17.6
80.05019	0.9
85.67584	0.5
95.04987	0.8
96.08154	0.6
98.06052	98.6
99.06396	1.9
100.07629	3.5
103.05465	21.3
104.05814	0.9
105.07029	0.9
108.04460	0.8
110.06050	1.0
112.07591	1.1
114.49218	0.6
122.06040	0.6
123.00750	0.9
126.05512	65.5
127.05830	0.6
131.04922	49.1
132.05284	1.3
138.05484	0.5
140.07057	9.7
162.05482	1.0
166.05000	1.9
166.99675	0.8
168.02899	1.0
168.06548	10.8
169.01251	0.6
171.14926	0.9
173.06007	1.0
176.03400	0.6
180.06573	1.1
184.05974	1.4
185.00826	3.5
190.05017	1.1
194.04482	4.3
207.02917	2.4
207.04811	0.6
208.06027	0.8
212.05540	14.2
218.04474	8.8
220.06056	1.3
224.20149	2.1
226.07124	1.1
236.05525	100.0
237.05920	2.6
254.06721	0.6
271.06042	2.5
293.08060	0.7
298.10779	1.6
311.09052	1.1
322.10733	3.2
333.44022	0.6
340.11777	69.2
340.29691	2.7
341.11911	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	340.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05478	0.5
55.78522	0.3
65.03905	0.4
66.31301	0.3
67.05482	0.7
68.99760	0.8
69.03410	0.7
69.07042	0.6
70.06583	2.6
79.05471	0.9
81.03385	1.0
81.07006	0.4
82.06561	0.8
83.04935	1.3
84.08121	0.6
86.09695	2.7
91.05483	7.2
93.03372	0.8
93.07015	0.5
94.06564	0.8
95.04925	1.6
95.84514	0.3
96.08127	2.7
98.06052	9.8
100.07586	1.5
103.05462	6.2
104.05795	0.5
105.03397	2.1
105.04464	0.5
105.06997	0.7
106.03693	0.4
106.06546	0.6
107.04932	0.5
107.08559	0.6
108.04480	2.5
108.08059	0.8
109.02837	1.2
110.06033	3.8
111.04419	0.4
115.05394	0.4
117.06918	0.4
118.06591	0.4
119.08530	0.5
121.06457	0.4
122.06020	1.8
123.04453	1.7
124.04811	0.3
126.05508	6.2
129.06937	0.4
131.04921	15.8
131.08597	0.7
132.05255	1.2
132.10144	0.8
135.93039	0.3
136.03970	0.4
136.07570	16.5
137.02298	0.5
137.07863	0.5
137.09589	0.5
140.07045	2.1
145.10126	0.5
146.03156	0.9
147.04321	0.5
149.02307	0.4
149.09546	1.2
150.05466	1.6
151.03865	0.7
161.02339	0.5
162.05521	0.5
163.03848	0.7
163.06221	1.2
164.03413	2.6
164.07063	9.5
164.08453	0.5
165.01764	0.6
165.07483	0.4
167.10628	1.5
168.06538	2.9
174.05388	0.6
175.02489	0.5
175.03902	1.1
176.03383	2.1
178.05829	0.8
179.03368	1.8
180.03772	0.7
180.06450	0.7
181.07384	0.8
182.04507	2.6
190.04980	2.5
191.03372	1.1
191.05771	7.1
191.10645	1.3
192.06541	5.8
194.04471	1.6
202.04984	0.8
203.03384	0.8
207.02870	9.9
207.04854	0.7
208.03259	3.1
208.06120	2.5
209.06776	2.2
209.11734	0.9
210.07608	6.0
212.05479	1.5
218.04469	5.7
219.03020	0.5
220.06027	7.6
221.04480	0.5
224.20021	0.9
225.03955	0.7
235.02359	6.7
236.02788	10.7
236.05501	100.0
237.03917	0.7
237.05884	2.5
238.07141	0.4
253.03030	0.6
254.06580	77.4
255.06953	1.8
276.19547	0.6
282.11356	0.4
283.05954	0.7
295.06180	0.4
298.07755	0.7
298.10712	1.9
311.08966	2.8
312.12247	1.2
322.10657	1.4
323.09106	3.6
324.12454	2.4
340.11786	66.8
340.29431	1.6
341.06308	1.8
341.11536	3.9
341.15192	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	340.1179
Annotation	Cerasodine
Peak:m/z	Relative Intensity
55.01878	0.5
55.05478	0.5
55.78522	0.3
65.03905	0.4
66.31301	0.3
67.05482	0.7
68.99760	0.8
69.03410	0.7
69.07042	0.6
70.06583	2.6
79.05471	0.9
81.03385	1.0
81.07006	0.4
82.06561	0.8
83.04935	1.3
84.08121	0.6
86.09695	2.7
91.05483	7.2
93.03372	0.8
93.07015	0.5
94.06564	0.8
95.04925	1.6
95.84514	0.3
96.08127	2.7
98.06052	9.8
100.07586	1.5
103.05462	6.2
104.05795	0.5
105.03397	2.1
105.04464	0.5
105.06997	0.7
106.03693	0.4
106.06546	0.6
107.04932	0.5
107.08559	0.6
108.04480	2.5
108.08059	0.8
109.02837	1.2
110.06033	3.8
111.04419	0.4
115.05394	0.4
117.06918	0.4
118.06591	0.4
119.08530	0.5
121.06457	0.4
122.06020	1.8
123.04453	1.7
124.04811	0.3
126.05508	6.2
129.06937	0.4
131.04921	15.8
131.08597	0.7
132.05255	1.2
132.10144	0.8
135.93039	0.3
136.03970	0.4
136.07570	16.5
137.02298	0.5
137.07863	0.5
137.09589	0.5
140.07045	2.1
145.10126	0.5
146.03156	0.9
147.04321	0.5
149.02307	0.4
149.09546	1.2
150.05466	1.6
151.03865	0.7
161.02339	0.5
162.05521	0.5
163.03848	0.7
163.06221	1.2
164.03413	2.6
164.07063	9.5
164.08453	0.5
165.01764	0.6
165.07483	0.4
167.10628	1.5
168.06538	2.9
174.05388	0.6
175.02489	0.5
175.03902	1.1
176.03383	2.1
178.05829	0.8
179.03368	1.8
180.03772	0.7
180.06450	0.7
181.07384	0.8
182.04507	2.6
190.04980	2.5
191.03372	1.1
191.05771	7.1
191.10645	1.3
192.06541	5.8
194.04471	1.6
202.04984	0.8
203.03384	0.8
207.02870	9.9
207.04854	0.7
208.03259	3.1
208.06120	2.5
209.06776	2.2
209.11734	0.9
210.07608	6.0
212.05479	1.5
218.04469	5.7
219.03020	0.5
220.06027	7.6
221.04480	0.5
224.20021	0.9
225.03955	0.7
235.02359	6.7
236.02788	10.7
236.05501	100.0
237.03917	0.7
237.05884	2.5
238.07141	0.4
253.03030	0.6
254.06580	77.4
255.06953	1.8
276.19547	0.6
282.11356	0.4
283.05954	0.7
295.06180	0.4
298.07755	0.7
298.10712	1.9
311.08966	2.8
312.12247	1.2
322.10657	1.4
323.09106	3.6
324.12454	2.4
340.11786	66.8
340.29431	1.6
341.06308	1.8
341.11536	3.9
341.15192	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63330	2.1
53.03933	6.3
55.01865	5.3
57.03425	6.6
61.02908	5.6
68.99792	3.8
69.03429	32.7
70.47380	2.4
70.47728	4.0
71.04992	3.0
73.02901	7.5
81.03413	23.0
85.02901	100.0
86.03251	2.3
87.00826	48.3
97.02892	33.3
98.22723	2.8
99.04432	9.2
102.35434	2.2
105.01864	67.6
108.04501	2.3
109.02871	24.3
126.01074	5.1
127.03909	61.2
128.04141	2.5
145.04935	32.5
147.02879	2.8
159.02869	8.2
189.03854	3.8
213.03964	3.6
231.05028	20.0
249.06021	4.4
289.77695	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	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80397	1.8
53.03938	7.4
55.01863	7.4
57.03426	5.0
61.02913	4.5
63.76712	1.8
68.99783	2.8
69.03427	33.2
69.18322	11.8
69.58249	1.8
71.04985	3.8
73.02908	6.3
81.03410	19.4
84.04498	2.0
85.02902	100.0
86.03210	2.1
87.00823	46.8
89.01583	2.9
97.02888	28.5
98.23457	2.8
99.04449	12.3
101.02410	2.3
105.01863	76.4
108.04507	2.0
109.02883	24.1
117.01875	2.2
126.77122	1.7
127.03916	64.3
145.04944	35.9
159.02859	10.0
159.77905	1.8
177.05396	2.0
178.05690	2.4
185.09528	1.9
189.03981	4.4
231.05026	20.5
236.12254	2.2
249.06096	5.2
279.77155	1.9
304.72043	2.0
327.83762	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	340.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.0
55.05511	2.2
57.03427	1.3
57.05834	0.9
65.03947	1.3
67.05495	5.3
69.03423	1.2
69.07066	10.7
71.04990	11.5
77.03933	1.1
79.05481	11.8
81.03449	1.3
81.07034	3.0
83.04969	3.9
84.04497	1.2
85.06543	7.6
86.09697	100.0
87.10020	1.2
91.05471	15.7
93.07039	14.8
95.04972	5.2
95.08605	1.3
97.06518	2.1
98.22678	1.3
99.08106	2.1
100.11234	2.7
103.05462	1.6
105.07021	16.8
107.04949	18.1
107.08588	18.8
109.02857	1.2
109.06510	3.9
111.04439	7.8
115.05497	1.5
116.06374	1.1
117.03392	1.3
117.07018	6.7
118.03743	1.9
119.04970	5.4
119.08563	13.3
121.02861	1.5
121.06496	8.2
121.10130	9.7
123.04424	2.6
123.08084	2.8
125.05975	1.9
127.03864	1.0
128.06262	0.8
128.10721	5.7
128.60303	0.8
129.07021	4.4
131.04936	8.4
131.08557	22.3
131.49561	0.8
132.10196	27.0
133.06491	7.2
133.10080	1.1
135.04399	5.0
135.08075	2.1
135.11641	1.4
137.05980	2.9
137.09592	5.1
143.08447	1.8
145.02769	1.9
145.06480	3.5
145.10100	14.6
146.03185	1.8
147.04404	24.8
147.08054	6.5
147.11700	2.4
149.05962	8.3
149.09607	39.7
155.08572	2.0
157.06439	1.6
159.04544	1.4
159.08073	1.7
161.05959	10.7
163.07549	2.0
163.11192	16.0
165.09119	6.6
165.12756	1.4
167.07108	2.0
167.10663	42.3
173.05960	1.0
173.09636	6.6
177.05453	3.7
178.05812	4.5
179.10703	1.1
183.08064	1.5
187.07530	1.4
189.05521	1.0
191.10651	28.4
193.08615	0.9
194.07260	1.2
194.93382	0.9
195.08044	1.6
201.09087	1.1
202.07825	2.3
203.07040	2.9
203.08679	1.1
206.15370	1.7
207.08047	1.2
208.08882	1.4
208.13322	0.9
209.09891	1.1
209.11702	31.4
210.14867	7.2
211.09671	1.6
218.07117	1.2
219.08112	1.1
220.06047	3.9
220.08781	1.5
221.09721	1.1
223.07507	1.2
224.08289	2.0
225.09073	1.2
227.87065	0.9
231.08037	3.0
234.06714	1.7
235.07396	1.2
235.11142	3.5
237.09070	1.6
237.12691	1.3
238.14418	2.0
243.06725	1.0
247.07576	1.4
248.08258	2.3
249.09027	1.1
249.12740	2.2
250.06364	1.9
251.06877	1.3
251.10657	3.4
252.15880	1.6
253.08600	1.2
253.12238	5.9
256.15363	1.5
258.18491	2.8
259.07571	2.0
261.09024	1.0
263.07086	1.7
263.10681	4.1
265.08475	2.1
267.10095	1.1
269.11664	5.1
276.07907	1.3
276.19574	15.2
279.10086	2.9
281.11700	2.0
288.10294	1.0
291.10172	1.4
294.20615	7.6
295.13266	3.1
297.11221	3.1
304.19125	2.3
305.11636	2.2
309.07819	1.2
309.11197	8.4
313.14407	3.0
322.20090	11.8
323.09366	1.4
323.12775	11.4
326.50146	0.9
340.12024	3.3
340.21231	7.0
341.10153	1.8
341.13785	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.05504	10.2
55.85490	0.7
57.03438	1.3
57.07069	2.6
62.06085	100.0
67.05500	16.6
68.30424	0.8
69.03443	0.7
69.06701	1.4
69.07062	13.4
71.04996	1.3
71.08609	1.0
71.43539	0.9
73.58127	0.7
76.02364	0.7
79.05489	10.0
81.07054	14.9
83.04979	1.7
83.08611	4.8
91.05486	3.2
93.07039	6.3
95.04945	1.5
95.08597	11.3
97.06528	1.5
97.10186	2.5
98.06049	1.3
98.97573	1.1
105.07026	2.3
107.08607	7.3
109.10135	6.6
113.09722	0.7
117.06992	1.9
119.08581	1.8
121.10149	2.3
123.11709	2.0
124.11209	3.6
125.09635	0.9
131.08469	0.9
133.10165	1.2
135.08119	0.9
135.11687	3.9
137.13246	0.9
145.10201	1.1
149.13200	1.7
153.12743	1.7
168.13864	0.9
173.13162	1.0
190.24884	0.7
193.04842	1.7
196.13316	11.2
197.13634	0.9
212.11511	0.7
214.14348	11.6
225.12549	0.8
225.15840	1.2
242.21342	1.0
243.21228	1.0
245.22661	0.7
261.22110	1.5
263.23843	1.0
279.20486	0.8
279.23190	3.0
293.85971	0.7
317.18887	0.7
322.27347	34.0
323.25302	6.4
339.77875	3.9
340.19208	1.2
340.28430	25.9
341.20905	1.8
341.28714	2.2
351.30615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58453	0.5
55.05508	1.9
55.91806	0.7
57.03424	1.0
58.06612	3.0
62.53421	0.7
67.05505	16.7
69.03418	1.3
69.05810	1.7
69.07076	1.7
70.06593	11.1
71.40813	0.8
72.04516	8.7
72.08157	8.0
79.05497	2.0
81.07048	5.2
83.04975	0.8
84.08143	31.7
85.02910	0.6
91.05496	1.8
93.07049	1.6
95.08607	3.2
96.08124	2.9
97.02929	0.9
97.08904	7.2
98.09702	12.5
100.07617	93.2
101.07982	1.9
103.05455	0.8
105.03415	0.8
107.08598	1.3
108.08118	0.9
109.10139	2.8
110.06034	2.0
110.09679	11.8
112.07627	0.6
112.11227	3.6
115.51348	0.7
123.04414	1.1
124.07610	0.7
125.08372	2.2
125.10768	0.7
129.13857	0.5
131.04892	4.1
133.02866	2.6
136.11237	1.0
137.05971	3.0
141.52635	0.7
145.02852	0.7
150.12782	0.7
151.03911	0.9
151.07573	0.6
152.14349	1.9
169.13339	4.0
171.14912	11.2
175.07687	0.8
178.04909	1.3
179.03372	4.1
187.07538	1.2
188.04352	1.0
206.18974	1.5
207.02942	3.9
208.03104	0.7
208.06111	1.1
215.08824	0.7
217.08606	0.9
219.08133	0.6
224.20091	100.0
225.20438	5.7
226.21626	1.2
234.18567	1.8
236.05585	1.8
236.28621	0.6
237.06120	0.6
252.19569	8.0
258.04651	2.9
269.22324	2.3
276.07840	0.8
281.25928	1.0
309.11121	0.7
311.09259	1.3
312.09595	0.9
322.28555	4.8
323.26910	13.3
324.27255	1.2
340.11783	2.3
340.29581	92.9
341.13272	1.2
341.29901	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28385	0.7
55.05494	3.2
58.06584	2.0
59.04981	1.0
67.05161	1.3
67.05502	21.3
68.05015	1.9
68.99796	4.3
69.05798	2.5
69.07070	1.5
69.23611	3.3
69.24028	2.0
70.06592	22.6
71.04993	0.9
72.04510	6.2
72.08151	5.5
79.05484	2.3
80.04983	1.3
81.07063	4.8
82.06583	1.3
83.04958	1.0
84.08139	29.6
91.05470	1.8
93.03471	0.8
93.07025	1.1
95.04961	2.5
95.08588	2.8
96.08115	2.9
97.08915	5.6
98.09699	12.8
100.07614	98.8
101.07935	1.8
103.05450	0.9
105.07060	0.9
105.15399	0.9
107.04949	0.8
107.08571	1.2
108.04446	1.0
109.02897	1.0
109.10145	2.4
110.06030	12.9
110.09682	12.1
112.07568	1.9
112.11253	4.3
120.08154	0.7
122.06019	1.5
123.04416	3.0
124.11023	0.8
125.08379	2.5
128.12617	0.8
129.06982	1.2
131.04930	4.8
135.04422	1.1
135.11681	1.0
136.11215	1.4
137.05971	5.7
140.07066	0.9
146.95189	0.7
151.03870	1.1
152.10712	1.0
152.14354	2.6
163.03896	1.7
166.99792	0.8
169.13356	4.1
171.14914	14.3
174.06802	1.3
179.03368	4.6
179.07025	2.6
180.07494	1.4
185.00775	4.9
187.07491	1.8
189.09143	1.1
190.05051	1.8
191.03409	2.4
195.03006	0.8
198.97592	0.8
203.08595	1.1
206.19057	1.5
207.02873	22.9
208.06062	4.7
217.08635	1.1
218.04471	9.1
219.02890	1.2
219.07913	0.9
224.20082	99.5
225.20435	4.5
234.18510	2.5
236.05533	18.2
237.03975	4.5
237.05966	0.9
248.08324	1.0
252.19572	9.0
266.82751	0.9
269.22089	2.3
271.06009	3.2
281.26111	1.5
291.10110	2.0
293.08057	1.7
311.09116	11.5
311.12497	1.2
312.09216	1.1
312.12378	2.7
322.10895	3.8
322.28491	4.7
323.12521	1.2
323.26855	15.0
324.27194	0.9
340.11807	11.2
340.29575	100.0
341.12912	0.8
341.29825	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	340.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.5
58.06588	2.4
62.85189	0.6
65.03938	0.8
66.22870	0.7
67.05501	15.4
69.05793	1.8
69.07042	1.5
69.56870	2.6
69.57240	1.3
70.06589	9.9
70.65826	0.7
72.04515	6.9
72.07851	0.7
72.08157	7.9
79.05482	1.7
81.07053	4.8
84.08142	30.0
86.69942	0.7
91.05455	0.9
93.07048	1.7
95.08604	3.3
96.08113	3.3
97.08909	6.5
98.09697	8.5
100.07616	88.3
101.07948	1.1
109.10149	3.1
110.09682	11.7
112.07641	0.8
112.11213	4.0
113.68474	0.7
115.88516	0.7
121.06493	0.8
123.04398	0.8
125.08401	2.9
131.04903	2.0
135.11699	0.8
136.11166	1.6
137.05946	1.6
143.85274	0.6
152.14308	1.8
168.52281	0.7
169.13354	4.2
171.14902	14.5
206.19060	2.8
207.02824	1.2
224.20090	99.1
225.20380	4.8
234.18469	2.0
236.05774	0.9
252.19597	8.9
258.04791	0.9
269.22220	1.8
281.25955	0.9
316.25510	0.9
316.67151	0.8
322.28467	4.6
323.26898	15.1
324.27225	1.1
340.29575	100.0
341.29892	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	341.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97020	14.0
70.06593	13.7
72.08124	5.6
73.04749	15.8
79.55798	5.0
86.09731	11.9
86.40473	4.6
91.05815	40.5
94.06601	7.9
97.10339	5.3
98.23430	8.1
98.97594	11.3
100.61471	5.7
110.07166	15.7
113.93574	5.3
120.08080	5.9
123.63863	5.6
125.68314	5.3
125.85291	5.1
140.07063	10.8
156.79039	6.2
164.06215	6.5
180.06313	12.8
180.08821	35.7
185.04245	7.5
190.95549	6.1
202.94722	5.5
203.05261	18.6
324.10657	6.8
342.11578	100.0
342.99960	7.7
359.02866	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14906	1.0
55.05487	1.2
56.05020	1.4
56.46194	1.0
59.53904	1.1
60.94960	1.1
62.27580	1.0
63.64853	1.2
67.05492	1.6
70.06587	5.2
71.04970	1.0
71.09103	1.5
72.08147	14.2
73.04760	2.5
74.38556	0.9
81.03361	1.0
82.06597	1.5
84.08112	1.6
88.07613	3.1
91.05434	4.9
91.05842	3.3
94.04154	1.0
95.04958	1.6
95.08589	3.9
98.06038	1.4
100.07613	6.0
108.95052	1.0
110.09669	1.9
114.09170	2.4
117.27326	1.0
119.04179	1.6
119.04945	19.3
122.03620	1.9
122.09686	1.7
123.07994	1.3
124.11196	2.3
126.09140	14.0
134.29970	1.1
136.11238	1.4
137.05975	59.2
138.06329	1.1
139.90939	1.1
140.10680	7.8
143.11783	4.1
144.99301	19.0
146.03348	1.3
147.04396	36.9
147.51421	1.1
151.07487	2.1
152.10638	2.2
156.10161	1.2
168.56625	1.2
174.61221	1.2
179.07025	16.6
180.08745	1.9
185.12822	1.5
189.05219	1.2
190.33461	1.2
191.83047	1.1
195.05034	1.3
197.07974	2.0
202.15411	4.2
211.18042	2.4
212.16429	1.2
219.06290	100.0
220.06602	2.8
237.05865	1.4
259.05066	1.5
323.01569	3.2
323.05344	1.3
340.22253	5.1
341.02405	2.7
341.06564	44.4
341.11417	2.2
341.12433	2.1
341.22488	2.0
342.23779	10.4
351.37250	1.2
359.03012	6.2
359.06546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14906	1.0
55.05487	1.2
56.05020	1.4
56.46194	1.0
59.53904	1.1
60.94960	1.1
62.27580	1.0
63.64853	1.2
67.05492	1.6
70.06587	5.2
71.04970	1.0
71.09103	1.5
72.08147	14.2
73.04760	2.5
74.38556	0.9
81.03361	1.0
82.06597	1.5
84.08112	1.6
88.07613	3.1
91.05434	4.9
91.05842	3.3
94.04154	1.0
95.04958	1.6
95.08589	3.9
98.06038	1.4
100.07613	6.0
108.95052	1.0
110.09669	1.9
114.09170	2.4
117.27326	1.0
119.04179	1.6
119.04945	19.3
122.03620	1.9
122.09686	1.7
123.07994	1.3
124.11196	2.3
126.09140	14.0
134.29970	1.1
136.11238	1.4
137.05975	59.2
138.06329	1.1
139.90939	1.1
140.10680	7.8
143.11783	4.1
144.99301	19.0
146.03348	1.3
147.04396	36.9
147.51421	1.1
151.07487	2.1
152.10638	2.2
156.10161	1.2
168.56625	1.2
174.61221	1.2
179.07025	16.6
180.08745	1.9
185.12822	1.5
189.05219	1.2
190.33461	1.2
191.83047	1.1
195.05034	1.3
197.07974	2.0
202.15411	4.2
211.18042	2.4
212.16429	1.2
219.06290	100.0
220.06602	2.8
237.05865	1.4
259.05066	1.5
323.01569	3.2
323.05344	1.3
340.22253	5.1
341.02405	2.7
341.06564	44.4
341.11417	2.2
341.12433	2.1
341.22488	2.0
342.23779	10.4
351.37250	1.2
359.03012	6.2
359.06546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82214	0.4
51.01241	0.4
53.03698	0.6
53.03941	7.5
57.22046	0.4
65.03934	1.8
67.05482	0.8
68.99793	0.9
69.11981	0.7
69.12375	2.5
70.06568	1.5
78.98595	0.4
81.03415	3.7
84.08146	0.9
91.05442	0.4
98.22672	0.7
100.07611	3.2
103.05479	0.5
105.03406	0.4
105.07014	1.1
110.02328	0.5
110.06042	0.7
110.09631	0.5
121.02866	10.0
131.04939	1.9
134.05969	0.5
137.05989	0.5
147.04395	1.0
149.02332	4.7
151.03952	0.7
164.03380	0.5
167.03395	23.5
171.14954	0.9
174.05467	0.7
175.03859	1.0
177.01733	4.3
178.01331	0.6
179.03380	0.9
192.06447	0.5
193.04991	0.5
194.04498	3.7
195.02879	100.0
196.03256	3.4
197.04521	0.6
202.04988	0.8
205.01315	29.9
206.01675	1.4
209.04437	1.6
220.06013	6.3
221.04443	5.4
223.02321	4.1
224.20045	2.5
224.21941	0.4
225.20456	0.6
237.03915	31.2
238.04231	0.9
238.07039	0.6
239.05582	0.6
249.21619	0.5
255.04939	0.8
281.08057	13.5
282.08334	0.9
283.09659	4.2
283.12524	0.6
298.10608	2.5
309.07587	0.7
313.07574	0.5
313.10568	2.8
320.17957	0.4
324.08899	0.6
324.12323	1.4
325.10645	1.0
340.28186	15.0
341.10223	0.9
341.14859	2.1
341.28574	8.9
342.09845	0.6
342.13324	2.8
348.78427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.102
Annotation	(+)-Ochracenomicin A
Peak:m/z	Relative Intensity
50.01571	0.3
51.02378	0.7
51.39152	0.3
53.03941	14.9
65.03940	2.5
67.05504	0.4
68.99807	0.6
70.06586	1.0
70.91348	0.3
79.05498	0.3
81.03412	36.8
82.03748	0.7
84.08146	0.5
91.05447	0.5
93.03381	0.9
95.04972	0.4
100.07607	1.4
103.05458	1.0
105.03358	0.3
105.07019	3.3
106.06563	0.4
110.06030	0.5
115.27242	0.3
121.02866	12.6
122.03227	0.3
123.04434	0.5
131.04935	1.9
137.02301	0.3
137.05984	0.4
147.04353	0.9
149.02321	5.6
151.03935	0.6
155.08487	0.3
165.01741	0.4
167.03391	32.6
168.03757	0.6
169.04900	0.3
171.14882	0.5
174.05536	0.5
175.03925	0.8
177.01799	5.3
179.03358	0.5
179.08533	1.0
190.79735	0.3
192.06566	0.5
193.01389	0.4
193.04916	0.4
195.02875	100.0
196.03174	2.6
197.09560	0.7
202.04980	0.8
203.03398	1.2
205.01309	47.0
206.01660	1.7
207.02847	1.1
207.08008	0.7
208.03241	0.6
208.06087	0.3
209.04411	0.7
219.02872	0.8
220.06042	4.8
221.04404	4.3
221.06253	0.5
223.02354	57.4
224.02693	1.8
224.20134	0.9
225.09071	0.7
225.20406	0.5
235.07506	0.3
236.05463	0.6
237.03903	7.2
238.04390	0.3
238.07167	0.3
248.41139	0.3
253.08585	4.6
255.04984	34.8
256.05368	1.3
263.07086	0.5
281.04984	0.6
281.08054	10.9
282.08389	0.6
283.09537	0.7
291.06229	0.4
309.07544	8.3
312.09604	0.6
313.10571	0.4
324.12515	1.3
325.06982	0.9
325.10522	0.5
340.29440	1.1
341.05945	0.5
341.10141	8.7
341.14832	1.5
341.29825	0.7
342.13470	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	341.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82520	0.2
52.00930	0.2
56.05019	0.8
58.06584	0.5
59.04996	6.0
65.03923	1.0
65.71094	0.2
67.05507	0.4
69.03396	0.4
70.06585	0.3
72.02676	0.3
72.08146	0.4
79.05486	3.1
80.64134	0.2
81.07047	0.3
83.05009	0.3
84.04496	13.1
85.02893	0.5
86.09679	0.6
87.04491	0.4
89.06012	4.0
91.05470	100.0
92.05813	2.0
93.07041	0.5
95.04962	1.0
97.06513	0.8
102.05518	0.3
103.05464	0.4
103.07567	3.8
105.07011	0.5
107.04938	8.0
109.06441	0.4
112.99966	0.4
115.05403	0.4
117.04800	1.8
119.04921	0.8
121.06509	1.6
122.03624	0.4
125.05976	9.3
128.06224	0.3
129.06937	0.6
130.04970	2.3
131.04951	0.8
131.08543	0.3
133.08588	1.6
135.04362	0.3
137.05956	5.6
145.06509	0.4
147.04402	3.6
147.10173	0.7
149.04146	0.3
151.03825	0.3
151.07573	0.4
153.05469	0.8
156.09978	0.3
157.06390	0.3
158.07150	0.3
161.05984	0.9
166.06792	1.5
171.07791	0.4
172.05226	0.5
174.06773	0.8
175.07471	0.8
177.05472	0.5
187.07506	2.3
189.09084	1.2
191.08527	0.3
193.05000	0.5
195.04736	15.7
196.05061	0.6
199.07445	0.6
201.07817	0.3
201.12457	0.3
202.07878	0.3
203.08496	0.7
212.07375	6.0
217.08611	1.5
219.08029	0.7
220.08794	0.4
221.04384	0.5
221.08055	0.7
231.07965	0.7
237.09195	0.4
239.05458	9.8
247.07567	0.7
248.08282	0.9
249.09204	0.4
251.10777	0.5
255.06424	0.3
259.35095	0.3
261.09134	0.4
263.10706	1.0
265.08502	0.6
267.41672	0.3
271.09641	0.6
276.07669	0.3
277.08493	0.3
278.08359	0.7
279.10178	1.2
291.10199	1.6
296.10394	0.7
297.11258	0.4
309.11038	1.0
311.12689	1.0
312.19214	0.3
323.12711	2.0
324.08887	0.8
341.10733	1.1
341.15875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.35128	0.6
55.01869	1.1
61.01130	0.5
69.03430	0.9
70.06572	0.7
74.40300	0.5
79.05473	2.9
79.86522	0.5
81.07030	1.2
86.09689	1.0
88.54832	0.6
91.04936	0.8
91.05466	10.4
93.07027	0.5
94.04173	2.1
95.04976	1.8
100.11220	0.6
102.93646	0.5
103.05457	4.9
104.06233	1.1
105.03404	0.9
105.07027	7.4
107.04926	3.5
108.05737	0.6
109.06506	1.8
110.06036	1.0
115.05448	5.3
117.07018	4.1
119.04919	3.1
119.08572	8.1
121.02803	0.5
121.06507	4.3
122.03636	7.3
125.05934	1.2
128.06210	4.5
129.06999	6.4
131.04919	6.0
132.05704	6.4
133.06500	5.4
136.05206	1.0
136.06143	4.7
137.05962	100.0
138.06322	1.9
143.04958	1.2
145.06476	4.5
146.03612	5.3
147.04401	7.2
147.08051	10.4
149.05992	2.0
151.07538	11.4
155.04849	0.6
155.06004	1.0
155.43024	0.5
156.05656	0.6
157.06473	2.3
159.08086	1.4
160.05186	4.6
161.05968	35.7
162.06764	2.3
163.07521	4.5
165.05638	0.6
165.06956	1.0
171.08060	1.3
172.05185	0.6
174.06795	0.7
175.07538	85.3
176.07913	2.0
177.05438	1.6
177.09071	8.5
178.07793	1.4
179.07039	2.0
179.08566	1.4
184.05098	0.6
185.05945	3.0
187.07553	3.4
189.07430	0.5
189.09070	3.4
190.07742	1.6
191.07001	1.0
191.08562	4.8
192.09247	0.7
194.07301	1.1
195.07973	0.6
199.07545	2.7
202.07724	3.0
203.08530	7.1
203.50121	0.5
204.09120	0.8
205.06453	1.4
205.08539	0.7
206.07327	0.9
207.08095	1.9
208.08791	1.2
209.09631	0.6
217.08537	3.7
218.07265	1.9
219.08035	7.8
220.08760	2.9
221.05988	1.3
221.09610	1.6
222.06746	1.4
223.07480	1.3
230.07275	0.6
231.08057	8.5
232.08826	1.5
233.05977	0.9
233.09483	0.9
234.06738	2.2
235.07555	2.8
236.08334	1.7
237.09074	3.2
238.09909	0.5
239.05370	1.0
245.09636	0.9
247.07481	5.3
248.08293	5.4
249.09146	2.6
250.06187	0.7
251.06853	0.9
251.10716	5.2
252.07713	0.6
253.08734	0.8
253.12186	0.6
259.07520	6.7
260.08209	2.2
261.09015	1.2
263.07089	0.9
263.10709	4.9
264.07831	1.0
265.08588	3.9
266.09299	0.7
267.10104	0.5
276.07794	3.7
277.08585	2.7
278.09427	1.0
279.10208	5.4
280.10815	0.8
281.08170	0.6
281.11655	2.1
291.10138	9.7
292.10898	1.6
293.08051	1.1
295.09680	1.4
296.10336	0.8
308.10419	1.4
309.11136	14.1
310.11652	1.8
311.12769	4.4
323.09082	0.8
323.12732	7.3
324.13181	0.6
325.03394	0.9
341.13815	30.1
342.14160	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	341.1381
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03932	0.7
55.01865	1.8
55.05496	1.4
56.21722	0.5
57.03424	0.6
63.33269	0.5
65.03938	0.7
67.05490	1.4
69.03417	1.5
69.07053	1.2
71.01349	0.8
71.04982	1.4
77.03916	1.1
79.05479	4.5
79.86199	0.6
81.07024	1.7
83.04965	0.7
84.04504	0.8
86.09271	0.4
86.09705	3.6
87.10020	1.4
91.05470	12.2
93.07027	4.7
95.04953	3.7
95.08596	1.1
97.02862	3.6
97.06512	0.8
98.22598	1.1
103.05437	2.9
105.03391	0.9
105.04509	0.6
105.07017	7.4
107.04945	53.5
107.08581	5.1
108.05288	1.7
108.08900	0.6
109.06545	0.9
111.04462	0.9
115.05434	2.0
117.06987	2.7
119.04930	20.9
119.08569	15.7
121.02856	6.6
121.06503	8.3
123.04443	2.8
123.08065	2.8
126.17046	0.5
128.06195	1.5
129.07007	2.7
131.04913	27.6
131.08557	4.4
132.05487	0.5
132.10236	0.8
133.06480	22.7
133.07489	1.2
134.06871	0.8
135.04446	0.8
135.08043	1.4
141.06947	1.7
142.07755	0.7
143.08548	1.1
144.05664	1.5
145.06459	2.8
145.10104	0.8
147.04391	100.0
147.08041	4.8
148.04738	2.8
149.05966	27.3
149.09595	2.6
150.06375	0.8
150.09911	1.1
151.03841	0.8
151.07550	1.1
153.06943	1.0
155.08534	1.0
157.06461	3.3
157.10052	2.6
159.04390	1.1
159.08032	8.9
161.05969	3.2
163.07483	0.9
165.07005	1.8
165.09102	1.5
167.07014	6.5
167.08507	1.4
167.10667	1.0
168.10919	0.8
169.06454	1.0
171.08067	2.0
173.05986	1.7
173.09586	2.0
175.03946	1.2
175.07518	5.1
177.05443	1.6
177.06932	0.8
177.09094	1.2
178.07724	1.3
179.08521	1.5
181.06465	2.4
181.10112	0.9
182.07236	1.4
182.51248	0.5
183.08020	4.1
184.08862	0.7
185.05917	2.1
187.07509	7.5
191.08583	0.6
191.10777	0.9
192.09358	0.5
192.10988	1.0
193.08580	4.0
193.10091	0.8
194.07307	2.8
195.07986	3.3
196.08797	1.1
197.06027	1.6
197.09613	1.9
199.07500	1.5
199.11197	0.9
201.09039	3.0
202.07776	1.6
203.06975	11.3
205.06403	1.2
205.10046	0.9
207.08028	3.7
208.08830	3.1
209.05972	0.6
209.09601	3.4
209.11375	0.8
210.06648	0.7
210.11992	1.1
211.07533	1.4
211.09639	4.8
211.11136	0.9
213.05307	0.6
215.08589	0.7
216.09291	0.7
217.10143	1.0
218.07265	1.1
219.08031	1.5
219.10184	2.0
220.08807	4.7
221.06084	0.9
221.07762	0.9
221.09830	3.3
222.06754	1.5
222.10471	0.8
223.07564	3.7
223.11147	5.0
224.08305	5.5
225.09036	2.7
225.12616	2.8
227.06967	1.2
227.10680	3.4
229.04906	0.7
229.08546	1.2
231.08034	1.5
233.05984	0.8
233.09550	2.0
234.06726	2.7
234.10429	1.6
235.07541	3.2
235.11127	10.2
236.08324	1.8
236.11768	1.2
237.09105	2.1
237.12709	7.4
238.09894	0.8
239.06953	1.6
239.09132	1.9
243.06445	2.9
244.08838	0.6
245.09660	3.6
247.07452	0.9
247.09650	1.1
248.08316	2.0
249.09059	1.8
249.12717	10.2
250.06230	5.2
251.06960	3.6
251.10638	13.3
251.14378	1.2
252.07774	0.8
252.11192	1.2
253.12199	26.3
254.12614	1.1
255.10170	0.7
259.11200	1.4
261.09186	2.9
261.12292	0.5
262.09973	0.8
263.10626	16.2
264.11179	1.6
265.08487	0.6
266.09323	1.0
267.06458	1.4
267.10117	0.7
267.13788	1.5
268.07333	2.3
269.11722	19.6
270.11945	0.7
277.12146	3.7
279.10159	13.0
279.13242	0.9
280.10596	1.5
281.11703	3.6
294.08679	0.9
295.09915	0.9
295.13229	11.9
295.20654	0.9
296.13589	0.7
297.11191	11.1
297.14862	3.3
305.11636	4.9
309.11111	1.8
313.14270	8.6
323.12738	38.3
324.13110	3.3
324.18796	0.6
324.51889	0.6
341.13791	69.0
342.14185	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	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.05499	2.2
56.05021	2.1
57.03435	2.5
58.06593	3.2
60.96115	1.0
61.54168	1.0
65.03924	3.3
67.05508	8.2
69.03429	2.4
69.05830	1.2
69.07079	1.4
69.43711	5.1
70.06597	14.8
71.04974	2.3
72.04512	4.5
72.08161	8.7
78.20433	1.2
79.05497	4.4
81.03414	1.5
81.07057	4.1
83.11066	1.1
84.04517	1.3
84.08139	11.7
86.09732	1.2
91.05437	6.6
93.07048	2.0
94.04183	5.1
95.04961	3.2
95.08597	3.9
96.08124	3.4
97.08911	3.4
98.09686	4.2
98.22691	2.1
100.07616	41.1
100.11240	1.5
101.07960	2.5
103.05462	7.2
105.07040	2.5
107.04967	3.0
109.06502	4.5
109.10141	1.4
110.06037	2.1
110.09679	5.8
112.11235	2.5
115.05468	2.3
117.03405	1.1
119.04921	2.9
119.08566	1.7
121.06441	1.2
122.03665	8.7
123.08117	1.5
124.11187	1.2
125.05984	1.9
125.08371	1.4
125.09586	1.2
126.01051	1.7
126.09147	6.0
128.06209	3.7
129.07001	14.0
131.04930	9.2
131.08522	1.6
133.02846	2.9
133.06447	1.4
137.05975	100.0
138.06348	1.5
143.08539	1.6
143.11829	2.2
144.05675	5.8
145.06506	2.3
145.86960	1.1
147.04414	3.5
149.05981	1.9
151.03902	2.4
151.07523	7.1
153.05476	1.8
156.05688	2.3
157.06517	8.3
158.07228	2.3
159.04446	1.5
160.05188	3.0
161.05992	3.5
162.06731	1.8
163.07509	2.6
165.05571	2.4
165.06882	1.7
165.08386	1.1
169.13376	1.7
171.04416	1.3
171.08044	2.6
171.14920	2.9
172.05170	8.4
173.05925	2.2
174.06754	16.7
175.07576	12.2
177.05434	5.7
177.09030	1.8
178.07806	1.1
179.07098	2.5
187.07539	50.1
188.08153	2.4
189.09117	20.9
190.07771	1.4
190.09503	1.6
191.07037	2.1
191.08565	5.7
192.09213	1.4
193.01369	1.5
194.07275	1.2
196.05313	1.8
197.06071	1.3
199.07503	8.5
200.08229	1.2
202.07776	3.9
202.15463	1.4
203.08548	13.5
205.06516	2.6
205.08444	2.1
208.08710	2.5
209.00882	1.7
210.14886	5.5
211.07483	8.4
213.05428	1.8
217.08589	31.2
219.08061	14.9
220.08823	5.3
221.00859	2.0
221.05991	2.8
221.09514	1.8
222.06728	1.9
224.20071	32.4
225.05475	1.7
225.09140	2.9
225.20383	9.4
227.07103	3.0
228.07762	1.5
231.08054	13.1
232.08806	3.7
233.06026	3.3
233.09587	2.9
234.06699	2.2
235.07526	2.8
236.08296	4.7
237.00334	2.0
237.09145	3.9
239.06953	4.4
240.07733	5.1
241.04820	1.3
245.09529	1.8
247.07614	8.8
248.08324	17.5
249.05359	1.7
249.09108	5.8
250.06271	2.5
251.06837	1.2
251.10661	7.9
252.19609	2.6
253.08566	4.0
255.06499	1.5
256.07339	3.5
258.06836	1.4
259.07562	6.1
260.08276	3.2
261.09088	3.8
262.09708	1.7
263.07669	2.3
263.10629	15.7
264.07736	3.6
265.08569	7.8
267.06439	1.7
268.06982	1.5
270.08905	4.4
271.09589	17.3
276.07806	9.8
276.65182	1.1
277.08572	6.6
279.10135	16.2
280.10864	2.4
281.08041	4.0
281.11365	1.5
283.09592	4.2
291.10168	36.2
292.10651	4.4
293.08102	7.4
294.08478	1.4
295.09543	2.2
296.10449	12.5
297.11130	3.6
308.10358	4.5
309.11121	3.2
311.12726	20.8
313.14642	1.2
323.01535	1.4
323.12762	33.0
323.26944	3.7
340.22559	1.4
340.25998	1.9
340.29587	27.0
341.13956	13.9
341.22656	2.1
341.29916	14.5
342.13651	1.5
342.23819	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03951	1.5
55.01863	1.4
65.03934	1.4
65.07708	1.1
67.05488	1.7
68.18813	1.2
69.11850	9.4
69.46830	1.0
70.06580	1.6
72.08140	2.7
76.06354	1.4
79.05506	3.1
81.07041	1.5
91.05494	5.9
94.04191	4.5
98.22635	2.1
100.07591	2.2
103.05443	2.1
105.07094	1.9
107.04934	2.6
108.39072	1.4
109.06515	3.5
111.04401	1.5
115.05431	1.5
119.04940	3.1
122.03635	9.7
126.09184	1.5
128.06203	4.7
129.07011	11.7
131.04941	5.5
131.08545	1.6
133.02837	3.8
137.05971	100.0
138.06250	1.9
143.04863	2.1
144.05679	3.9
145.74077	1.2
146.07262	2.4
149.05975	3.4
151.03937	1.6
151.07530	4.0
157.06480	6.1
158.07283	2.3
159.08122	1.5
160.05162	2.3
161.06006	1.6
163.07483	1.8
165.05476	2.4
171.08047	1.9
172.05194	5.4
174.06743	15.9
175.07561	9.5
177.05511	4.1
177.09001	1.4
179.07051	2.4
181.06517	1.4
187.07535	58.7
188.08095	3.7
189.09081	20.5
190.07756	1.6
191.07011	1.8
191.08534	4.3
196.05219	2.2
199.07530	8.7
202.07823	4.7
203.08482	11.0
205.01344	1.5
205.06624	3.1
207.08060	1.6
208.08812	2.1
211.07501	7.4
217.08600	33.1
218.07164	2.4
219.08051	11.9
220.08861	6.0
221.09569	2.0
223.07655	1.3
225.09093	2.0
227.06903	2.8
231.08087	11.7
232.08727	4.4
233.05981	3.7
233.09563	3.1
235.07529	2.3
236.08304	4.3
237.09082	3.4
239.07036	5.7
240.07736	5.9
247.07524	11.9
248.08362	16.9
249.05589	1.6
249.09001	4.7
250.06035	1.5
251.10706	6.4
253.08585	4.1
255.06467	2.9
256.07385	3.2
259.07587	4.9
260.08212	2.5
261.09097	4.5
263.07077	2.1
263.10669	13.6
264.08011	3.0
264.10916	1.6
265.08621	7.5
268.07300	2.1
270.08807	3.0
271.06888	2.3
271.09628	19.7
275.07483	1.4
276.07816	10.3
277.08582	8.3
279.10110	17.8
280.10779	2.4
281.08075	2.2
281.11740	1.5
283.09583	5.0
291.10144	33.9
292.10709	4.9
293.08081	7.0
293.11240	1.6
294.08636	1.6
295.06177	1.7
296.10446	14.3
297.11258	3.3
308.10504	4.2
309.11163	2.5
311.12750	20.9
323.12753	38.3
324.13077	2.8
341.13843	14.4
342.23871	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	341.1383
Annotation	4'-Hydroxyradulanin H
Peak:m/z	Relative Intensity
51.59923	0.4
53.03925	0.5
55.01855	0.4
55.05495	0.6
65.92728	0.4
67.05498	1.2
68.99760	2.2
69.03424	1.0
71.42952	0.4
77.03907	0.9
79.05482	1.7
81.07034	1.2
86.49084	0.4
91.05418	2.2
93.07014	1.9
95.04964	2.6
95.08585	1.0
97.02895	0.7
97.10139	0.5
103.05465	1.1
105.03386	18.2
105.07019	1.2
106.03749	0.5
107.04931	0.5
107.08574	1.4
109.06509	0.5
115.05409	0.4
117.07007	0.5
119.08580	2.2
121.02857	1.5
121.06493	0.8
123.04424	0.9
123.08110	0.5
127.01579	0.6
129.03352	1.2
129.06985	0.9
131.04944	0.7
131.08559	0.9
133.06480	0.6
137.02348	0.5
145.10095	0.4
147.04370	3.8
147.08026	1.8
149.05994	1.3
149.09528	0.5
161.05943	0.7
171.08141	0.8
175.07512	2.2
193.08607	2.5
197.09668	0.4
199.07555	2.7
210.06830	1.0
211.07616	2.4
223.07497	9.9
224.07950	1.0
225.09077	2.3
227.06944	1.1
235.07455	1.1
236.08331	3.7
237.09047	2.3
239.07002	9.2
248.08331	0.7
249.09119	0.5
251.06958	2.9
251.10655	40.6
252.07838	0.8
252.10986	1.8
253.08517	1.4
253.12170	0.6
261.09009	1.3
263.10654	2.7
265.08557	0.6
265.12247	1.5
266.09363	0.5
267.06537	0.6
267.07101	0.7
267.10165	6.9
267.13751	2.3
270.86896	0.5
276.07755	1.1
277.09064	0.6
277.12167	6.3
279.10141	7.0
279.13690	1.4
280.10693	0.7
281.08121	1.3
281.11505	0.4
295.13254	31.2
296.13571	1.8
305.11691	2.4
323.12747	51.5
324.13019	3.2
341.13797	100.0
342.14185	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	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.02378	1.1
55.01861	2.2
55.05490	1.2
57.03415	1.0
65.03926	1.6
67.05494	2.2
69.03423	1.8
69.07050	1.0
70.97123	0.5
71.04974	0.6
71.43028	0.6
77.03925	0.6
79.05489	5.0
81.03423	0.9
81.07030	1.4
83.04987	0.8
88.17484	0.6
91.05466	13.0
93.07039	4.8
94.04150	0.6
95.01318	0.8
95.04961	4.9
95.08572	1.7
97.02881	5.4
97.06514	1.1
100.11214	0.9
103.05459	4.3
105.03399	0.8
105.04494	1.0
105.07023	8.4
107.04944	55.1
107.08585	3.6
108.05280	0.8
109.06515	1.0
109.10140	0.7
109.68970	0.5
111.04418	1.3
113.00008	6.4
115.05437	1.7
117.07006	2.7
119.04937	21.7
119.08566	15.2
119.09415	0.9
121.02851	6.3
121.05703	0.9
121.06489	8.4
123.04408	3.8
123.08092	2.7
125.05969	2.5
128.06194	1.9
129.06979	4.8
131.04915	28.9
131.08560	4.4
132.05327	0.5
133.06480	21.3
133.07474	0.9
135.04282	0.7
135.08037	1.7
137.02309	0.6
137.05939	3.3
141.06972	1.4
142.07741	0.9
142.91173	0.5
143.08574	1.6
144.05656	1.5
145.06471	3.4
145.10051	0.8
147.04393	100.0
147.08044	5.4
148.04747	2.7
149.05968	27.1
149.09608	1.0
150.06308	0.8
151.03915	0.8
151.07571	1.5
153.06967	1.5
155.08551	2.4
157.06464	3.9
157.10110	2.7
159.04391	2.3
159.08046	9.5
161.05959	2.9
161.09604	1.1
163.07529	1.4
165.06998	1.4
165.09102	1.7
167.07008	5.0
167.08528	1.7
168.05727	0.9
169.06401	0.8
171.08023	1.1
173.05959	2.1
173.09650	1.8
174.49974	0.6
175.03920	1.0
175.07500	5.1
177.05482	1.8
177.09111	0.9
178.07793	1.3
179.03340	1.6
179.08551	1.2
181.06464	2.5
181.10043	1.0
182.07233	1.5
182.36774	0.5
183.08012	3.7
185.05991	1.1
186.92041	0.6
187.07532	6.8
191.07060	1.4
191.08595	0.8
193.08574	3.7
193.10097	0.8
194.07256	2.7
195.08015	2.9
196.08856	0.9
197.05940	1.5
197.09612	2.0
199.07498	1.7
199.11133	1.6
201.05466	1.2
201.09155	3.5
202.07806	1.7
203.07002	11.5
203.08784	0.8
205.06508	1.0
205.10233	0.9
207.08043	5.0
208.08794	3.8
209.05989	0.7
209.09570	2.3
210.06741	0.6
211.07562	2.2
211.09619	5.7
211.11186	0.7
217.08546	1.8
217.10350	1.0
219.07950	1.9
219.10165	2.0
220.08809	5.1
221.07840	1.2
221.09860	3.0
222.06743	2.0
223.07526	3.6
223.11084	3.8
224.08322	6.4
225.09035	3.0
225.12767	1.6
227.07054	1.1
227.10612	4.0
229.08612	1.0
231.08002	1.0
233.09660	1.8
234.06671	2.6
234.10416	1.2
235.07571	3.6
235.11154	11.1
236.08421	2.6
236.11871	0.9
237.09018	1.7
237.12708	7.2
238.09860	0.9
239.06966	1.6
239.09091	1.4
243.06506	1.5
245.09567	3.4
247.07428	0.9
248.08295	1.7
249.09032	1.8
249.12706	9.1
250.06171	4.5
251.07056	2.3
251.10640	11.9
251.14278	1.0
252.07642	1.2
252.11075	0.9
253.08620	2.6
253.12210	25.7
254.12646	1.2
255.10089	0.9
259.11017	1.4
261.09131	3.6
263.10648	15.3
264.11362	1.4
265.08633	0.8
266.09326	0.9
267.06512	1.1
267.10196	1.0
267.13727	2.0
268.07333	1.4
269.08688	1.1
269.11710	17.6
277.12161	4.8
279.10117	14.5
281.11670	5.0
294.08813	1.3
295.09860	1.0
295.13251	14.7
297.07895	0.7
297.11176	11.2
297.14771	3.2
305.11636	4.9
309.11087	0.7
313.14282	11.3
323.12738	40.7
324.13077	1.6
341.13797	72.9
342.14136	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14705	0.4
52.25643	0.5
57.03418	0.4
67.05479	0.6
68.99773	0.6
69.40428	1.7
70.06580	2.6
79.05457	1.4
86.55016	0.5
91.05425	1.3
93.07044	0.7
95.04926	1.1
96.08078	0.6
103.05454	2.6
104.04959	1.3
105.03353	1.3
105.06969	0.5
106.06550	5.7
107.04938	2.9
108.08049	0.6
110.05976	0.6
118.06483	1.1
119.04917	2.5
122.05987	1.8
124.07535	1.6
128.04935	1.1
131.04910	6.7
134.06001	3.8
135.04381	1.2
136.07558	2.3
137.05914	0.9
146.05995	1.9
147.04385	3.2
150.01836	2.0
150.05432	0.8
152.07024	1.2
156.04385	1.5
157.02855	0.9
163.03873	0.6
164.03397	1.7
164.07024	4.6
165.05389	0.7
166.01349	0.5
168.02870	2.5
174.05489	8.9
175.03923	5.0
175.05505	0.7
176.07021	0.7
177.04132	0.9
177.05435	0.5
178.01331	2.5
178.04871	1.0
179.03366	0.6
180.02879	0.5
182.04469	0.6
191.02092	0.6
192.02893	1.5
192.06548	9.4
193.04970	0.9
193.06769	0.6
194.04489	1.2
194.08244	1.0
202.04955	13.6
203.03427	0.5
203.05202	0.5
204.35791	0.5
207.02850	1.0
208.03214	1.0
208.05963	2.6
209.06389	0.5
210.03857	0.5
219.07831	0.5
220.06026	100.0
221.04362	1.3
221.06360	3.9
236.05450	0.9
237.06039	0.9
237.08730	4.4
238.04805	0.5
238.07082	3.9
261.09149	0.5
278.11761	0.8
279.10205	0.9
282.11246	1.7
296.09369	0.7
298.10764	0.6
306.11288	5.8
309.11447	0.4
312.03522	0.4
312.09247	0.6
312.12347	0.8
323.13736	0.7
324.08316	1.0
324.12265	25.9
325.12662	1.7
341.14963	43.4
342.15302	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.4
57.03410	1.2
61.77304	0.3
65.03905	0.4
67.05466	1.2
68.99766	1.0
70.06592	3.6
79.05500	1.6
80.05013	0.3
81.07050	0.5
82.06558	0.3
84.08105	0.7
89.00137	0.3
91.05479	2.7
93.03367	0.3
93.06998	0.3
94.06542	0.6
94.29379	0.3
94.30006	0.3
95.04981	1.8
96.08060	0.6
100.07602	0.9
103.04975	0.3
103.05460	2.9
104.04979	1.7
104.05627	0.3
105.03374	1.2
105.07009	0.5
106.05916	0.5
106.06558	5.5
107.04965	2.9
108.04443	0.5
108.08087	0.7
109.02871	0.4
109.06465	0.4
110.06034	2.1
111.06343	0.5
118.06538	0.7
119.04939	3.3
122.06007	1.8
124.07611	2.1
126.01875	0.4
128.04926	0.8
129.03331	0.4
131.03981	0.4
131.04929	7.4
132.04370	0.3
132.05249	0.3
134.03615	0.3
134.06000	4.6
135.04369	1.2
136.03912	0.8
136.07613	2.0
137.05943	1.3
142.11012	0.3
146.05974	2.9
146.25116	0.3
147.04413	4.9
148.07542	0.4
149.02213	0.4
149.05994	0.4
150.01839	1.9
150.05452	0.6
152.07008	1.0
154.01389	0.4
156.04417	1.1
157.02795	1.3
162.05434	0.4
162.45320	0.3
163.03845	0.8
164.03395	2.1
164.07071	4.7
165.05452	1.4
165.07292	0.4
166.01385	0.5
168.02917	3.0
174.05498	8.9
175.03917	6.0
176.07077	0.6
177.04178	1.1
178.01350	2.6
178.04973	1.1
179.03345	0.4
179.05553	0.3
180.02898	0.8
182.04356	0.5
187.07483	0.6
189.45659	0.4
191.01959	0.4
191.05768	0.5
192.02922	1.6
192.06537	9.1
193.04951	0.7
194.04427	1.7
194.08192	0.6
196.02322	0.7
202.04973	14.5
203.03360	0.5
203.08543	0.5
204.06573	0.4
206.04492	0.4
207.02968	0.8
207.05212	0.9
208.03215	0.8
208.06013	3.0
209.03111	0.4
210.03831	0.5
219.07790	0.7
220.06041	100.0
221.04405	2.8
221.06398	3.7
224.20045	0.5
225.20375	0.6
225.80655	0.4
226.06522	0.3
233.09683	0.5
236.05669	0.5
237.06090	0.7
237.08728	3.7
238.07034	3.9
243.08150	0.5
261.09033	0.7
265.08667	0.6
278.11774	0.8
279.10181	0.6
282.11148	1.8
285.09579	0.4
288.10239	0.5
291.10110	0.4
296.09061	1.0
296.12805	0.5
298.10703	0.5
306.11215	6.5
312.09000	0.5
312.11893	1.1
323.13071	0.5
324.12289	26.7
325.12665	1.8
340.29654	0.6
341.14948	43.2
341.29929	0.7
342.15149	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	341.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08813	1.2
53.03952	8.3
55.01622	1.6
55.01871	25.7
55.05259	2.0
55.05508	37.9
56.74127	1.2
57.03433	16.0
57.07076	12.0
61.02922	6.6
65.03927	5.4
65.47736	1.3
67.05499	100.0
68.05826	2.6
68.93977	1.3
68.99777	15.6
69.03425	78.0
69.07062	42.8
69.41136	6.6
70.03731	1.6
71.01335	6.1
71.04996	10.3
71.08626	9.2
73.02908	5.4
77.03932	2.0
78.18443	1.5
79.05486	56.3
81.03412	48.9
81.03894	2.5
81.07052	79.6
83.01353	1.2
83.04979	23.1
83.08617	17.3
85.02898	44.0
85.06525	5.4
85.10164	3.5
87.00825	34.4
87.01375	1.6
87.04461	2.5
91.05473	41.6
93.06444	2.7
93.07039	53.6
95.01328	1.5
95.04965	45.8
95.08595	26.6
97.02887	26.0
97.06509	11.0
97.10175	3.9
99.04426	7.1
99.08088	7.3
101.02341	1.7
103.03941	2.5
103.05467	4.3
105.01858	9.6
105.04504	2.1
105.07016	39.2
105.26667	1.4
107.04945	19.7
107.08584	37.9
109.02876	15.9
109.06505	18.5
109.10145	43.1
111.00711	1.9
111.04435	27.4
111.08061	3.4
111.11716	3.0
113.02343	5.6
113.09661	3.6
115.03921	4.4
115.05454	4.0
116.06224	2.7
117.01852	3.8
117.07007	19.0
119.04929	2.7
119.08572	18.5
121.06503	19.3
121.10131	16.7
123.04414	16.2
123.08051	8.9
123.11697	24.0
125.05966	4.9
125.09598	3.0
127.03911	15.3
129.01819	4.8
129.05479	2.0
129.07005	9.3
130.07861	1.4
131.04933	2.4
131.08565	22.1
133.06496	7.8
133.10123	24.0
135.04399	4.4
135.08028	11.2
135.11658	16.7
137.05965	11.1
137.09608	6.8
139.03888	4.1
139.07521	1.5
139.11130	6.5
141.07028	1.7
143.08556	3.8
145.06471	7.8
145.10136	12.4
147.02914	2.1
147.04424	1.6
147.08031	5.8
147.11647	14.4
149.05957	7.1
149.09628	7.6
149.13252	8.1
151.07550	1.8
151.11177	47.5
151.12411	2.7
152.11557	2.4
153.05415	2.3
153.12698	4.1
155.08516	1.8
155.10594	2.2
157.10092	5.0
159.02873	6.9
159.08054	4.7
159.11649	6.6
161.09601	2.3
161.13185	1.8
163.07518	3.7
163.11179	17.6
163.14824	2.9
165.12730	11.5
167.07037	1.8
167.10381	1.5
167.14330	2.3
171.02968	2.8
171.06496	1.7
171.11674	2.3
173.13257	10.9
175.11147	8.5
177.09157	1.8
177.12671	7.4
181.12178	2.8
183.11681	3.2
189.03929	2.9
189.05502	3.1
189.12737	2.8
191.14304	14.9
193.12227	11.1
195.13860	3.3
201.03893	5.1
201.12703	17.7
207.13821	3.9
209.15269	3.6
215.05391	1.5
219.13786	41.5
220.14185	2.7
237.14830	32.0
237.17084	2.8
238.15318	1.8
255.15939	5.5
260.71930	1.5
305.13718	7.7
313.10541	1.6
323.14975	8.5
341.10080	3.1
341.16412	6.9
359.03293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45978	0.4
62.98257	10.1
67.05490	0.6
69.61821	1.6
77.00873	0.5
79.05524	0.4
81.07035	0.6
83.08605	0.4
88.61204	0.3
93.07016	0.6
95.08588	1.0
105.07023	0.8
107.08574	0.6
110.21548	0.3
112.22388	0.4
114.12560	0.4
114.96191	0.5
121.10142	0.4
124.03952	1.3
131.01929	0.4
154.95615	1.0
161.09656	0.4
161.13251	0.6
172.96712	1.0
176.71432	0.4
217.08469	0.4
222.74323	0.5
268.18405	0.4
301.20157	0.7
315.01852	0.4
317.19644	0.7
319.21124	4.2
323.19577	12.1
324.19995	0.5
333.21548	0.4
337.22260	3.6
340.39288	0.7
341.20615	100.0
342.20847	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	341.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	23.4
55.83878	2.5
56.82965	2.1
57.07071	8.2
67.05496	39.5
69.07067	29.2
70.15560	4.5
71.04984	6.9
71.08630	6.6
74.17389	2.2
75.18523	2.3
79.05484	25.3
81.07053	100.0
83.08617	15.1
85.06586	3.4
91.05476	30.0
91.05993	3.4
93.07043	68.8
94.07358	3.8
95.04975	11.7
95.08603	81.8
97.06521	15.2
97.10189	5.1
99.08086	4.1
105.04498	2.8
105.07029	61.3
107.08589	68.8
108.08849	2.3
109.06522	8.4
109.10159	51.1
111.08088	3.5
117.07027	4.6
119.08572	65.2
121.06499	2.8
121.10145	64.7
121.10989	4.0
123.08049	7.3
123.11716	22.8
125.09650	3.6
129.50925	2.2
130.07906	2.9
131.08571	21.1
133.10124	44.0
133.11026	3.6
134.10486	2.1
135.11687	37.4
137.13268	8.0
142.59508	2.4
143.08586	8.9
145.10123	37.8
147.11687	39.2
149.13249	24.9
151.11162	4.8
157.10162	10.1
159.11676	34.7
159.12732	2.6
161.13239	23.8
163.11351	3.0
163.14761	13.5
171.11681	15.7
173.13251	36.3
175.11226	2.9
175.14818	39.3
177.16360	35.9
178.16812	2.6
185.13249	15.0
187.14781	18.9
189.16327	15.3
191.18056	3.6
193.15952	3.4
199.14838	9.7
201.16373	17.5
203.17969	14.9
211.14838	3.6
213.16368	13.8
215.17966	18.3
217.19502	4.0
225.16402	3.7
227.17987	7.5
239.17966	4.4
241.19626	5.3
243.21181	7.6
245.19073	3.1
245.22586	2.5
253.19583	5.0
257.22751	5.3
267.21188	7.3
271.20685	3.2
283.23947	4.0
283.26633	3.7
291.37729	2.2
323.27313	27.8
325.26813	2.4
341.28439	95.2
342.28857	5.6
342.33649	4.7
342.37335	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	341.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.05506	16.8
55.09146	1.4
57.07065	3.5
63.15197	1.4
65.03921	1.9
67.05496	23.3
69.07065	18.0
70.93802	2.3
71.04976	5.4
79.05486	24.5
81.07050	81.0
83.04981	7.2
83.08615	7.5
85.06538	8.2
91.05473	19.4
93.07034	58.1
93.49722	1.4
94.07352	1.4
95.04960	41.2
95.08598	65.9
97.06508	2.7
97.10172	7.3
99.08075	1.9
105.04549	1.8
105.07023	45.0
107.08581	50.8
109.06521	9.4
109.10152	33.5
111.08057	2.7
113.09638	16.4
117.06992	7.0
119.08575	49.9
120.08892	2.1
121.10135	54.4
123.11693	12.1
125.09631	2.1
128.06194	1.9
129.06964	2.5
131.08568	22.7
133.10112	31.1
135.08011	2.8
135.11691	24.0
137.13272	2.2
139.11214	3.6
143.08586	7.0
144.09361	2.9
145.10112	36.2
146.10492	2.2
147.11673	34.9
149.13240	21.9
155.08583	2.1
157.10107	11.1
158.10837	2.2
159.11688	49.7
160.12202	2.1
161.13249	25.8
163.14810	12.2
169.10133	4.1
171.11623	10.5
173.13240	27.7
173.14598	2.7
174.13571	1.7
175.11064	2.2
175.14801	13.8
177.12627	1.9
177.16389	4.5
183.11600	2.3
185.13271	7.3
187.14803	20.7
189.16357	13.7
191.17862	1.9
197.13220	1.9
199.14816	7.0
201.16388	15.3
203.18013	3.9
205.15605	1.7
211.14777	4.6
213.16359	11.7
215.17918	22.9
225.16455	2.6
227.17989	7.5
229.00996	2.2
229.19400	7.1
231.17383	1.6
239.18002	1.7
241.19498	5.4
243.21321	1.7
245.18958	2.8
253.19395	3.3
259.20566	3.2
267.21112	4.8
283.24237	10.3
285.22141	3.6
313.28748	1.8
323.27295	16.4
341.28363	100.0
342.28705	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	342.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	0.6
55.01863	0.6
56.05036	6.8
57.03431	0.4
58.06600	0.5
65.03912	0.6
65.38644	0.4
66.18823	0.3
66.74801	0.3
68.05024	2.3
68.99783	2.3
69.03420	0.9
69.60371	1.1
78.56495	0.4
82.06565	1.0
83.01349	0.7
84.04496	2.2
85.02888	0.6
86.09689	0.8
91.05455	1.2
92.04988	1.1
93.05583	0.3
94.02925	15.6
95.01279	0.7
95.04961	0.6
95.52368	0.3
96.04462	1.4
97.02866	0.5
98.06042	1.9
107.04939	0.5
110.02402	0.8
110.06045	2.8
111.00784	0.4
111.04450	0.8
119.04928	2.4
120.04438	1.1
121.02855	0.9
121.06477	0.4
122.02397	0.5
123.00766	1.2
124.03943	1.4
126.05500	0.7
131.04958	0.4
133.02823	2.6
136.03931	2.0
137.05968	1.2
138.01868	4.9
138.05490	4.0
139.03928	0.5
147.04387	8.4
148.03929	1.0
149.02303	0.6
150.01855	2.9
152.03410	3.5
154.04988	0.4
165.05550	0.4
166.01385	0.6
166.05020	3.4
170.04462	2.4
176.03459	0.8
178.01338	5.2
181.01344	1.8
181.04951	4.3
188.07869	0.6
189.05272	0.4
190.99683	0.7
192.02936	0.4
194.04485	100.0
195.04805	3.1
196.02428	0.6
197.06024	0.4
199.02332	1.1
201.05373	0.7
204.02922	11.1
204.04721	0.7
205.03265	0.4
212.05530	5.0
222.03961	20.0
223.04234	0.5
227.09213	0.4
232.08418	0.4
257.04367	0.8
272.09103	1.0
282.07544	0.4
292.10696	0.4
296.21933	0.4
298.07098	2.8
299.05484	7.8
310.07907	0.4
314.10226	4.4
324.08640	16.2
324.12479	0.8
325.03455	0.4
325.09299	0.5
342.09729	28.4
342.13815	1.2
343.08295	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	342.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02438	0.5
55.01887	0.6
57.03455	1.7
61.80373	0.6
63.53572	0.6
63.94028	0.5
64.79926	0.5
65.03961	1.1
68.54375	0.5
68.99792	3.3
69.03420	4.7
70.06586	6.0
79.01889	0.5
79.05521	1.5
81.03397	3.0
81.07095	1.8
84.08160	0.5
91.05482	6.1
95.01348	1.7
95.04961	3.1
97.02887	4.2
97.06542	1.6
99.04480	0.6
100.07660	0.7
103.05467	7.6
105.03421	1.1
107.01344	0.6
107.04953	2.8
109.02878	5.6
109.06542	1.8
110.06086	2.4
119.01360	0.6
119.04945	3.6
121.02905	1.2
123.00822	1.2
123.04448	1.0
124.07657	0.9
125.02354	3.8
125.06068	1.1
129.27467	0.6
131.04926	23.7
132.05307	1.4
135.04424	1.0
137.02342	6.1
137.06018	3.9
141.01845	1.0
147.00842	0.9
147.04434	4.7
149.02385	1.9
150.12917	0.7
151.03996	0.6
165.01833	14.5
165.05542	1.2
167.02197	0.8
167.03490	0.7
169.01367	0.7
169.05020	0.7
174.05446	1.1
175.00401	0.7
175.03914	6.7
177.01868	1.2
179.03374	1.4
180.03004	1.6
181.01331	1.7
181.05101	0.6
183.02901	7.1
192.06540	1.1
193.01308	12.6
193.03229	1.0
193.04950	8.5
193.06557	0.7
195.02890	6.7
196.02463	2.4
199.02411	1.4
200.41066	0.5
202.05164	0.8
202.48514	0.6
203.03378	4.4
205.01390	0.8
206.99323	2.2
209.04480	2.7
211.02368	29.0
211.07474	0.9
212.02751	1.1
217.04999	1.4
219.45111	0.5
220.06062	3.4
221.00847	100.0
221.04391	92.0
222.01224	3.4
222.04855	3.3
228.35356	0.6
230.75172	0.5
238.03442	1.7
238.07115	6.7
239.01875	5.1
239.05423	4.4
251.07053	1.7
269.08066	1.2
279.06567	2.9
282.07635	0.8
283.06046	1.7
283.09634	2.4
284.09222	0.9
293.04437	1.2
297.07614	11.0
299.09164	2.3
300.08673	2.2
307.06165	0.9
307.09698	1.5
313.10550	0.8
324.12250	1.0
325.07016	15.8
325.10715	15.4
326.07278	1.0
326.10770	1.2
339.74213	0.6
342.13327	50.4
342.30893	0.7
343.13550	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	342.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.4
58.04107	0.8
62.62952	0.9
70.06589	4.5
72.08147	1.3
84.04501	1.2
84.08152	1.3
85.02870	1.2
91.05828	1.3
96.08134	0.8
97.02907	1.5
98.06042	3.9
98.97594	1.4
103.05450	1.2
105.07042	1.4
110.03573	1.0
116.07073	0.8
120.08096	5.0
126.09180	1.4
129.07011	0.8
130.06548	2.2
132.08089	2.3
134.09595	1.1
140.07062	10.0
143.03166	2.2
144.08090	2.2
156.08170	1.5
162.05270	5.2
162.09174	1.3
180.06310	15.9
180.08771	11.9
181.41423	0.7
185.04172	5.2
186.07191	1.3
203.05251	21.0
278.10245	2.7
296.11356	1.9
300.14145	1.2
306.09686	3.7
319.01120	1.4
322.02960	1.0
324.10718	9.2
325.11026	0.8
342.11588	100.0
343.11835	2.7
360.03055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1333
Annotation	CHEBI:70640
Peak:m/z	Relative Intensity
57.03435	2.5
65.27817	0.4
68.99783	1.2
69.18469	1.1
69.18864	1.4
70.06595	4.9
77.03900	0.4
79.05461	1.8
80.20285	0.4
81.07035	0.7
83.01332	0.5
91.05472	3.2
95.04966	1.9
97.06513	1.0
103.05432	2.0
104.67824	0.4
105.03349	0.4
107.04950	3.3
109.06519	1.1
119.04939	3.9
122.01125	0.4
123.04381	0.9
125.05998	1.3
131.04924	5.8
135.04353	1.2
137.05991	3.2
147.04396	4.9
151.03868	0.9
153.05447	0.9
165.01753	0.5
165.05449	1.5
169.01341	0.9
174.05554	0.6
175.03893	6.0
178.02608	0.6
179.03366	1.5
181.01361	1.9
183.02879	1.2
192.06508	0.7
193.04951	9.2
195.02879	5.8
195.06516	0.5
199.02414	1.2
202.04927	0.6
203.03377	4.8
209.04410	3.6
211.02365	0.5
220.06047	1.8
221.04433	100.0
222.04802	1.9
238.07098	7.0
239.05473	3.8
279.10638	0.4
283.09625	2.6
284.10291	0.5
289.08588	1.3
299.09171	1.8
307.09637	1.3
313.10724	1.3
324.12360	0.7
325.10651	16.8
326.10999	1.3
342.13333	53.4
343.13681	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	342.1335
Annotation	CHEBI:70640
Peak:m/z	Relative Intensity
50.90329	1.4
57.03416	2.1
61.55281	1.5
67.05505	1.7
68.99767	2.1
70.06575	7.7
70.39851	3.4
72.08145	3.8
79.05471	3.0
81.03408	1.8
81.07049	2.4
82.06540	1.7
91.05460	4.5
95.04945	2.6
97.06496	2.1
100.07596	4.8
107.04961	3.8
109.06476	1.6
110.06001	4.5
119.04960	3.1
124.13034	1.5
125.05959	2.8
127.01488	1.6
131.04907	8.5
137.05957	2.5
147.04417	9.4
167.02122	5.1
167.08539	1.6
168.02878	10.5
175.03865	8.2
177.07111	2.1
181.01352	1.9
193.04938	10.0
194.04494	2.2
195.02979	7.1
195.08060	6.9
203.03339	5.0
209.04454	4.0
220.06067	6.7
221.04446	100.0
221.06322	4.0
222.04677	3.7
223.07518	5.0
226.21696	3.4
233.06058	2.0
237.76508	1.6
238.06978	8.2
239.05493	4.2
251.07051	32.2
252.07544	2.1
271.08301	1.9
272.09146	5.8
283.09668	2.4
298.10684	3.3
299.09119	2.3
307.09363	1.6
324.12265	4.4
325.10529	13.1
341.28848	5.2
342.13272	53.0
342.16861	6.1
342.23932	2.9
342.31024	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	342.1335
Annotation	CHEBI:70640
Peak:m/z	Relative Intensity
53.03926	0.4
56.05044	0.3
57.03439	1.8
58.94202	0.3
60.69662	0.3
63.20340	0.3
65.03946	0.4
67.05467	0.6
68.99774	1.3
69.03411	0.5
69.41345	0.2
69.44369	1.4
70.06239	0.4
70.06587	5.2
78.49286	0.3
79.05492	1.9
81.07035	0.9
83.01340	0.7
86.48466	0.3
91.05472	3.4
94.04192	0.4
95.04955	1.9
97.06526	2.3
99.04457	0.3
103.05470	2.3
105.03374	1.0
106.06511	0.4
107.04943	2.8
109.06487	1.0
116.63784	0.3
117.06967	0.3
119.04943	5.1
123.04441	1.7
124.07577	1.0
125.05989	1.7
128.07042	1.0
131.03972	0.5
131.04929	7.0
135.04376	1.2
137.05963	3.8
142.20941	0.3
142.27745	0.3
146.06183	0.3
147.04401	5.2
151.00287	0.4
151.03880	0.6
153.05447	0.7
154.99741	0.4
165.01793	1.2
165.05466	2.2
169.01277	1.0
169.04976	0.5
173.28294	0.3
173.95888	0.3
174.05482	0.6
175.02406	0.5
175.03915	8.7
177.05396	0.4
177.41893	0.3
178.02582	0.4
179.03392	1.4
181.01292	2.7
183.02966	1.5
192.00595	0.4
192.06578	1.7
193.04951	9.9
194.08134	0.4
195.02893	5.9
195.06514	0.7
197.04407	0.4
199.02362	1.3
202.04962	0.7
203.03362	3.3
209.04465	4.0
211.02361	0.5
212.09114	0.4
213.04031	0.5
220.06143	1.8
221.04442	100.0
222.04785	2.6
228.25946	0.3
229.12184	0.3
233.09691	0.5
238.07085	8.6
239.05467	4.6
239.07646	0.4
256.08337	0.4
261.09174	0.3
283.09622	2.5
289.08572	1.0
299.09171	1.8
307.09549	1.7
313.10626	0.8
324.12338	1.2
325.10675	17.3
326.11090	0.7
342.13348	54.0
343.13663	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	342.1336
Annotation	Eletefine
Peak:m/z	Relative Intensity
51.50973	0.5
53.72399	0.6
55.05358	1.3
55.05613	1.0
68.99944	1.9
69.12506	2.6
69.12916	1.2
69.84975	0.6
70.03056	0.7
70.06724	1.5
72.08264	0.8
79.05210	0.7
79.05601	1.3
80.05135	0.8
81.07179	1.4
82.06197	4.8
82.06741	18.9
83.03894	0.7
84.08268	0.9
89.30757	0.6
91.05157	0.8
91.05651	1.5
95.05087	1.3
96.08237	1.0
96.65455	0.6
97.10285	0.8
97.84352	0.7
98.23457	1.4
100.07733	1.4
103.05659	2.0
105.07166	1.1
106.06752	1.9
107.05107	1.4
108.04601	1.2
109.06647	0.8
110.06224	6.2
111.03322	1.3
119.05094	1.7
121.06580	0.6
122.06187	0.9
123.04565	0.7
124.07736	1.2
126.09271	0.6
131.05116	9.2
137.06090	1.3
139.00278	3.0
147.04613	2.7
150.05728	0.9
152.07222	1.2
157.01453	0.9
164.07341	0.6
165.01904	0.8
167.02136	13.6
168.03087	2.5
169.01471	0.7
174.05693	1.5
175.04059	2.4
178.01387	3.8
178.04976	28.6
179.03552	1.2
185.03195	5.2
189.65421	0.7
192.03096	2.0
192.06650	0.9
193.04996	4.0
193.08839	1.1
194.04697	2.0
195.03053	2.7
196.06050	4.6
199.02521	0.9
202.05167	2.9
203.03615	1.4
205.03835	1.5
208.06230	1.1
209.04596	1.2
209.06535	1.4
211.09865	1.7
220.06032	74.1
221.04437	37.4
221.06195	4.1
224.02747	0.7
224.20306	0.6
226.21696	1.5
232.34645	0.7
238.07062	4.7
239.05595	1.5
239.09152	8.1
257.10214	2.3
271.08350	12.2
272.09082	2.6
282.07999	1.0
282.11411	1.7
296.09158	0.8
306.11194	0.7
324.12274	100.0
325.10529	3.4
325.12735	2.9
341.28299	3.7
342.13251	25.1
342.16705	1.6
342.23962	0.9
343.15170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1408
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
53.19700	0.3
55.05528	0.4
56.05027	0.5
56.96552	0.4
57.03431	0.5
67.05495	0.9
68.05044	0.4
69.03412	0.8
69.07079	0.4
70.06590	3.6
70.82160	0.5
71.04981	1.0
71.06120	0.9
71.07372	0.4
72.04511	0.5
72.08153	10.1
79.05492	1.1
80.05001	0.3
81.03401	1.0
81.07028	0.8
83.04964	0.3
84.04482	0.4
84.08138	0.5
85.02899	1.1
88.07626	2.2
91.05750	0.4
95.04961	0.6
95.08604	2.7
96.08102	0.4
97.02893	0.5
97.06525	0.5
98.06054	0.4
98.09686	0.8
98.97592	1.7
100.07608	2.5
108.36391	0.3
110.03519	6.4
110.06032	0.6
110.09648	1.2
112.07509	0.3
112.11240	0.4
114.09179	0.4
116.98633	1.5
120.08020	0.3
122.09655	0.5
123.08064	0.6
124.11220	2.9
126.09146	5.8
127.78059	0.3
128.04518	0.8
134.99696	0.6
135.03033	1.2
137.08232	2.1
140.10683	2.0
142.12245	0.5
143.11781	3.4
145.04968	0.3
152.10684	0.6
153.04080	2.5
158.01321	0.3
162.07722	0.8
162.08995	0.4
165.06462	0.4
169.09578	0.3
171.14876	0.6
179.00789	0.8
180.08791	100.0
181.04907	1.6
181.09219	2.3
186.04402	0.5
187.04071	0.3
194.15356	0.7
202.15497	3.6
203.05399	0.3
206.04498	0.4
211.18088	1.0
212.16377	0.8
216.98692	0.3
221.01718	1.4
234.99709	0.4
236.00240	0.3
245.01720	0.6
252.07785	0.5
254.18715	0.3
258.99899	0.8
263.02875	3.7
271.16339	0.4
277.00812	0.8
279.06244	0.3
282.13660	0.6
283.00067	0.4
283.12573	0.6
294.93192	0.5
296.09189	1.9
300.02328	0.5
301.01035	0.5
317.98889	0.9
318.03094	0.4
324.08716	0.7
324.22736	0.7
328.05353	0.3
336.94223	0.4
342.08743	2.5
342.14844	0.6
342.23880	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	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43927	1.3
55.05482	1.5
56.05001	1.6
57.03435	6.3
60.05614	1.2
61.02941	1.6
69.03419	5.1
69.07039	1.8
70.06593	8.1
70.82375	1.9
71.04978	2.3
71.08618	6.2
72.08147	9.4
72.46630	1.4
79.05508	2.1
79.32420	1.4
81.03408	3.6
81.07055	16.9
82.13357	1.4
83.06133	2.1
85.02903	13.9
85.06532	3.0
86.09716	9.5
87.04439	1.8
91.05776	1.5
95.08607	2.2
96.41705	1.6
97.02876	3.4
99.04428	1.9
99.05574	2.3
99.08080	20.6
109.06519	20.2
111.05556	7.1
116.07065	1.5
117.09126	100.0
118.08633	2.8
118.09450	2.0
125.07106	3.2
126.09116	2.2
127.07548	42.8
132.54178	1.5
139.05016	8.1
145.04936	1.9
145.08601	1.7
147.04424	2.4
163.09644	22.3
167.11737	4.4
181.04974	16.0
182.05246	2.4
195.11287	24.4
200.13924	2.2
231.11292	1.6
246.93878	1.5
255.06512	3.2
312.17120	2.0
324.15500	4.2
342.23935	2.8
343.13629	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	0.3
59.51785	0.3
61.42241	0.3
62.68497	0.3
67.55102	0.3
69.07054	0.5
69.77459	0.3
78.03421	0.4
79.05478	0.7
80.05014	3.3
81.07063	1.8
91.05466	1.1
93.07053	1.2
93.88272	0.3
95.04972	0.4
95.08599	1.2
96.04506	2.1
105.07025	2.8
107.08604	1.1
117.07014	0.8
119.08564	1.0
121.10131	0.5
122.41004	0.4
124.03947	100.0
125.04291	1.9
130.07745	0.4
130.71419	0.3
131.08583	1.0
133.10126	0.4
135.11687	0.5
136.24155	0.3
143.08585	0.4
145.10118	1.8
147.04372	0.4
147.11665	0.4
159.11697	1.9
161.13281	2.6
163.11116	0.5
201.16347	0.8
282.08868	0.3
313.07001	0.6
342.20654	1.1
342.24307	0.4
343.11691	1.0
343.22787	0.5
347.68353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90062	0.2
57.44138	0.3
69.17690	1.7
69.51233	0.3
70.06586	2.1
85.02924	0.3
86.09696	1.4
87.04460	100.0
87.51338	0.3
88.04797	1.5
89.06023	6.8
89.06541	0.6
90.72646	0.2
91.05448	0.3
93.19537	0.2
98.23518	0.5
107.04941	0.5
108.05231	0.4
116.07075	0.4
123.76134	0.3
125.06002	0.3
131.07031	0.9
133.08607	2.9
147.04437	0.4
171.06572	0.3
177.11215	1.2
181.04999	1.1
183.14966	0.4
201.12311	0.3
204.15253	0.2
219.12311	0.5
229.15515	0.3
239.05656	0.3
240.05919	0.3
283.17883	0.4
325.18594	2.1
342.10114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30417	0.5
53.03954	0.9
55.05508	2.8
56.05022	1.5
57.03425	0.6
57.07076	2.9
58.06599	1.4
65.03940	2.2
67.04234	1.2
68.99788	1.9
69.03427	2.2
69.07056	1.2
69.26641	1.6
69.27046	1.5
70.06590	16.4
80.05026	0.8
81.03417	4.3
81.07047	1.1
82.06577	3.3
83.08618	0.6
84.08133	5.0
84.19232	0.5
85.02901	5.2
86.09697	2.8
89.06030	9.7
91.04510	0.6
91.05477	4.6
92.64949	0.5
95.01347	0.9
95.04979	1.5
96.08151	1.2
97.02907	1.2
98.09688	3.5
98.12712	0.6
98.22693	1.0
99.04490	0.7
101.09647	2.9
107.07063	9.9
108.08112	4.6
109.02882	1.6
110.06037	100.0
111.06398	2.2
119.04935	16.5
120.05258	1.0
121.02869	1.2
121.06532	1.0
123.04507	0.6
124.07594	7.6
126.09152	10.3
127.03874	0.9
128.07062	2.0
136.07574	1.1
137.06004	0.9
140.04694	2.8
147.04399	90.4
148.04745	3.6
149.05896	0.6
150.09137	1.1
152.07063	9.8
153.05466	0.8
154.08627	1.2
155.07004	0.9
161.05928	1.2
163.00172	0.8
163.13284	22.8
164.13542	0.6
168.10205	2.4
171.04401	1.6
171.06566	1.0
176.07033	1.8
178.08676	2.7
179.03279	0.7
180.06494	3.7
181.01379	3.3
181.04945	22.1
183.14920	5.6
189.05463	9.6
190.05855	1.1
194.08112	4.4
195.02751	0.5
195.11234	0.7
196.09628	5.5
199.06018	1.1
204.06572	3.8
205.01283	0.5
211.14400	2.2
215.07043	3.2
217.04872	1.5
222.07608	7.0
224.86343	0.6
240.08640	0.8
282.07538	1.1
296.12823	1.2
297.03989	2.6
297.11093	1.1
300.12314	5.9
314.13837	14.9
315.04910	0.7
315.14087	1.6
324.12137	2.0
325.03470	5.8
325.09030	2.7
342.13324	9.6
342.23532	1.0
343.13721	0.9
343.17233	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	342.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56969	0.2
58.06587	0.7
69.07064	1.8
69.38599	1.0
70.06585	100.0
71.06915	1.1
72.08137	0.3
79.05507	0.4
85.02905	0.5
86.09696	18.1
87.04453	1.6
87.10048	0.4
91.05476	0.3
95.04999	0.2
97.02890	0.3
98.22762	0.4
100.08669	0.3
101.05901	0.2
104.66725	0.2
107.04961	0.3
110.06004	0.4
114.09141	0.4
114.67918	0.2
116.07063	0.3
117.07026	0.4
125.05997	0.6
126.06264	0.3
128.02156	0.3
147.04439	0.7
157.10129	0.3
181.04951	1.2
183.14909	32.9
184.15251	0.9
185.13353	0.3
208.09500	0.2
211.14394	16.7
212.14742	0.7
229.15477	0.5
237.09132	0.3
239.05362	0.4
240.05815	0.4
245.18541	3.7
246.18918	0.3
265.08734	0.3
266.15283	0.3
297.10980	0.4
297.14182	0.3
315.15912	0.2
342.16705	0.6
342.23837	4.1
343.17206	1.5
361.88095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2385
Annotation	Pro Leu Leu
Peak:m/z	Relative Intensity
51.56969	0.2
58.06587	0.7
69.07064	1.8
69.38599	1.0
70.06585	100.0
71.06915	1.1
72.08137	0.3
79.05507	0.4
85.02905	0.5
86.09696	18.1
87.04453	1.6
87.10048	0.4
91.05476	0.3
95.04999	0.2
97.02890	0.3
98.22762	0.4
100.08669	0.3
101.05901	0.2
104.66725	0.2
107.04961	0.3
110.06004	0.4
114.09141	0.4
114.67918	0.2
116.07063	0.3
117.07026	0.4
125.05997	0.6
126.06264	0.3
128.02156	0.3
147.04439	0.7
157.10129	0.3
181.04951	1.2
183.14909	32.9
184.15251	0.9
185.13353	0.3
208.09500	0.2
211.14394	16.7
212.14742	0.7
229.15477	0.5
237.09132	0.3
239.05362	0.4
240.05815	0.4
245.18541	3.7
246.18918	0.3
265.08734	0.3
266.15283	0.3
297.10980	0.4
297.14182	0.3
315.15912	0.2
342.16705	0.6
342.23837	4.1
343.17206	1.5
361.88095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50863	1.2
53.03940	1.6
55.01867	1.2
55.05509	2.4
56.05024	2.8
57.03434	11.0
58.06593	3.4
59.04431	0.9
65.03886	1.0
67.05494	5.0
68.05006	2.3
69.03417	1.9
69.59543	2.8
70.06590	33.3
71.04989	2.2
71.07352	1.3
72.04510	6.6
72.08154	36.7
73.07668	4.9
74.06048	2.0
79.05492	1.5
79.82565	0.9
80.05003	1.7
81.03409	2.8
81.07060	2.5
83.05012	1.2
84.08126	5.4
85.02890	2.2
86.06058	1.1
88.07639	8.1
93.07038	3.9
94.06583	1.4
95.04954	3.0
95.07359	1.9
95.08614	13.2
97.06533	1.4
98.06063	2.7
98.09678	3.6
100.07615	100.0
101.07954	2.1
107.08575	1.4
108.08126	10.3
109.06487	1.1
110.09675	19.1
111.08065	3.3
112.07564	2.0
117.06577	1.3
120.08105	6.2
122.09659	2.5
123.08020	5.3
123.10444	3.7
124.11227	17.4
125.10734	1.9
126.09148	19.9
127.12315	2.0
133.09761	1.2
134.09650	3.2
135.10405	2.1
136.11189	2.1
139.07536	25.6
141.09109	1.9
143.11794	15.6
150.09145	1.6
151.09909	2.7
152.10686	5.0
155.58238	1.3
164.14380	2.0
181.04947	6.8
185.12895	4.3
187.14404	11.1
190.12263	3.0
192.13815	21.5
194.15367	2.7
202.15506	12.4
204.17068	3.7
210.14891	18.1
211.15257	1.2
212.16447	4.6
237.15921	1.5
238.14442	3.1
256.20132	16.0
273.18066	2.2
324.22797	19.2
325.21384	1.4
342.23856	84.9
343.24228	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	342.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37102	1.0
55.05503	1.9
56.05027	3.2
57.03438	11.7
58.06594	3.1
67.05495	5.8
68.05025	2.0
69.96600	3.6
70.06593	25.8
71.04991	1.6
71.07341	1.4
72.04518	6.3
72.08157	34.0
73.07669	4.6
74.06065	2.3
79.05488	1.1
80.04986	1.1
81.03413	2.4
81.07056	1.4
82.06560	1.8
83.04988	1.1
84.04497	1.9
84.08142	6.6
88.07626	7.7
89.77222	1.0
91.05475	2.6
93.07047	3.9
94.06606	1.1
95.04966	4.1
95.07352	2.2
95.08606	9.5
96.08138	1.5
98.06060	2.5
98.09684	2.5
99.09206	0.9
100.07618	100.0
101.07969	1.9
108.08098	11.1
109.06499	1.0
110.09680	16.4
111.08088	4.2
120.08103	7.4
121.06416	1.2
122.09695	2.2
123.08088	4.9
123.10440	5.8
124.11217	13.9
126.09143	16.0
127.12322	2.1
133.09782	1.1
134.09648	3.0
135.10416	2.2
136.11214	1.0
138.09129	1.9
139.07541	26.0
141.09091	1.3
143.11775	11.0
151.09879	3.3
152.10706	4.7
164.14262	1.4
171.11302	1.3
181.04984	2.1
185.12845	2.7
187.14386	12.9
190.12262	5.0
192.13823	23.3
202.15459	7.7
204.17183	2.2
210.14903	16.7
212.16490	2.2
237.15907	1.5
238.14394	2.6
247.18245	1.3
256.20209	16.9
273.18137	2.4
306.21945	1.4
324.22778	19.6
325.23242	1.3
342.23874	85.0
343.24173	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	342.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
54.03466	1.7
55.05503	3.8
56.05029	6.6
57.03437	11.9
58.06595	3.0
67.05497	10.4
68.05023	4.4
69.03441	4.8
69.07069	2.0
69.29308	8.7
70.06591	57.7
70.58968	1.3
71.04991	7.5
71.07342	1.6
72.04523	5.6
72.08154	62.2
73.07672	12.4
74.06066	5.2
79.05507	2.5
80.04995	2.7
81.03430	7.6
81.07070	3.4
82.06539	2.7
84.04494	2.7
84.08134	5.3
85.02879	1.9
86.06078	1.8
88.07625	18.6
89.06027	3.5
91.05471	2.1
93.07040	4.8
95.04962	4.3
95.07330	1.6
95.08607	27.2
96.08164	1.9
96.08981	1.7
97.06518	1.6
98.06039	5.4
98.09689	7.8
98.22753	2.3
100.07617	73.8
105.07038	1.8
105.10239	1.9
108.08128	9.7
110.09675	20.9
112.07560	1.6
114.09190	2.1
117.06610	3.0
120.08115	4.6
122.09702	3.1
123.08075	11.2
123.10447	2.8
124.07607	1.8
124.11243	26.1
125.10708	2.4
126.09154	52.7
131.04953	2.1
133.09727	2.5
134.09628	2.1
135.10445	1.7
139.07538	17.2
141.09085	5.2
143.11798	33.8
152.10672	8.8
168.10196	2.4
169.87848	1.4
179.38699	1.6
181.04951	25.5
185.12836	9.1
187.14384	8.7
190.12289	2.1
192.13811	11.2
194.15451	3.9
195.11266	3.9
195.14888	1.7
202.15532	26.4
202.17419	1.2
204.17026	2.8
210.14891	19.0
211.15218	1.6
212.16463	9.0
238.14345	2.1
240.15926	3.2
247.17981	2.0
254.18634	2.7
255.16869	1.6
256.15622	1.6
256.20242	7.5
273.18094	4.6
324.22818	14.1
342.23862	100.0
343.24118	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51815	5.1
55.05522	9.8
57.07078	9.7
58.06627	4.3
67.05505	14.9
67.52199	4.8
69.85304	15.5
70.96117	4.9
72.05241	4.7
79.05470	8.6
81.07059	8.6
83.08620	5.8
91.05483	8.5
93.07068	7.7
95.08584	12.4
97.10164	7.5
105.07056	12.5
107.04929	5.4
107.08597	10.4
109.10194	5.5
109.75179	4.4
111.08096	5.0
119.08586	13.4
127.01587	8.9
133.10211	8.3
145.10045	6.7
153.09076	8.3
189.11259	7.0
228.09398	5.9
240.23186	100.0
250.21999	5.8
275.20078	9.7
313.21353	5.3
314.14578	17.6
342.24963	8.2
342.28836	20.7
343.11685	15.0
343.15402	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	342.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53112	0.4
55.05279	0.4
55.05510	2.6
57.07074	21.9
58.06593	1.2
58.74549	0.3
60.08146	1.0
62.06083	3.0
63.09056	0.4
67.05501	2.4
69.07063	4.5
71.08626	13.5
72.08139	1.2
73.02911	2.4
79.05453	0.5
81.07046	4.4
83.08621	3.5
85.10175	4.6
86.09680	0.4
87.04465	0.7
91.05446	0.4
93.07015	0.6
95.08601	4.1
97.06516	0.6
97.10184	1.7
105.07047	0.5
107.08575	0.7
109.10149	3.3
121.10175	0.4
123.11689	0.7
124.03920	0.9
127.11155	0.7
155.10745	0.3
156.17438	1.4
174.18510	5.0
176.25046	0.4
177.78699	0.3
197.11745	1.8
202.21649	0.7
212.23726	1.5
230.24785	4.6
281.52762	0.4
283.26288	100.0
284.26654	7.6
286.04770	0.4
313.06982	0.8
324.36057	0.6
342.33557	39.6
342.37289	89.0
343.11746	1.5
343.33859	3.0
343.37650	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	342.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59099	0.1
55.01172	0.1
55.05497	0.4
56.05036	0.1
57.07072	9.7
58.06594	1.2
60.04521	0.2
62.06083	3.6
65.23505	0.1
67.05485	0.2
69.07051	0.4
71.08627	4.8
71.43804	0.1
72.08154	1.7
74.06081	0.2
77.43971	0.1
81.07063	0.2
84.08125	0.1
85.10176	0.8
93.07024	0.1
110.06005	0.2
113.92487	0.1
121.10118	0.1
124.03941	0.1
143.66463	0.1
156.17474	1.8
170.18999	0.2
172.16998	0.2
174.18518	5.1
175.18924	0.2
179.42609	0.1
184.20573	0.4
202.21642	1.2
212.23703	1.6
228.23222	0.2
230.24765	4.1
231.25146	0.2
298.34631	0.2
313.07053	0.3
324.36292	1.2
342.37256	100.0
343.11771	0.4
343.37601	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18717	1.9
54.86240	1.8
56.96563	94.0
57.03429	2.4
60.05640	3.5
69.94862	3.6
69.95199	4.6
70.06601	21.1
72.08144	5.4
72.96039	2.7
74.97633	3.5
84.04494	2.1
84.08130	19.0
84.96043	9.4
85.02918	3.5
86.07198	3.2
86.09697	17.9
90.03788	5.4
97.99149	2.8
98.97576	100.0
101.00897	2.7
102.04071	2.7
103.05983	2.3
104.10742	20.1
110.97572	26.0
112.99206	3.7
114.89321	2.3
116.07129	2.6
116.98614	72.6
118.03506	4.2
119.01907	12.1
126.02290	5.2
128.98605	35.4
129.10236	18.3
130.93275	3.5
131.00200	4.5
134.99651	44.9
137.02940	2.3
140.03786	4.2
141.02142	2.1
141.03348	5.1
141.05086	4.6
142.03493	2.9
142.05421	2.7
143.04942	7.8
143.06694	3.7
144.05014	2.8
146.99619	18.4
149.01173	2.1
153.00710	4.8
154.08334	3.0
155.03009	2.9
155.06641	5.8
156.03780	5.3
156.05077	3.3
158.04881	8.8
159.04639	2.1
160.02876	2.4
160.06520	10.5
161.05879	3.4
162.09671	2.4
166.02872	12.4
168.00926	3.1
168.04494	4.8
168.99173	13.6
169.02901	4.2
169.09361	6.5
170.01343	2.8
170.06052	18.5
170.07317	2.7
170.99660	4.2
171.04506	17.9
171.05789	2.5
171.10912	7.5
172.94258	6.4
173.07697	19.5
177.00771	4.0
181.04878	2.7
182.99716	2.4
183.06166	3.4
184.03938	6.4
184.05537	2.6
186.09779	7.2
187.00266	69.5
187.01964	3.8
187.03961	3.3
187.05620	4.1
187.08731	8.7
187.10568	2.8
188.05658	4.0
188.07231	13.1
189.00751	12.8
189.05568	17.5
189.11942	7.8
190.95326	5.9
199.05516	2.5
201.00737	5.8
201.05879	3.2
203.12497	3.0
205.01309	48.2
206.06909	11.1
207.01808	3.1
207.06680	4.9
208.96336	3.0
211.00288	8.6
211.02046	2.4
212.08823	7.8
213.06779	17.6
214.05064	10.3
214.09241	8.6
215.09885	8.2
216.08427	4.2
216.98755	3.3
219.01947	3.1
223.00255	7.3
224.08002	13.3
226.10190	3.0
228.17101	5.2
229.01314	58.3
229.03496	3.0
230.09819	11.8
231.05701	12.2
231.07672	67.9
232.06053	9.4
232.10248	17.3
232.96300	2.9
233.10912	5.4
235.00038	3.3
238.10411	2.9
241.01332	28.5
243.06503	2.8
243.98114	3.9
247.02448	17.4
248.99197	8.2
249.02853	7.6
249.08650	21.5
253.01274	8.2
257.13132	2.7
258.99738	3.1
259.02359	6.2
259.05927	6.2
265.07565	2.3
265.11304	4.1
267.00137	4.3
271.02533	2.7
277.00552	2.5
277.07132	3.2
282.99716	2.7
283.07550	5.8
283.12555	27.9
283.15768	3.7
284.10779	3.5
300.08643	2.7
300.17636	2.4
301.00443	7.8
301.03342	6.9
301.08896	15.3
301.14413	4.2
302.13013	13.8
319.01511	14.1
319.04510	13.1
319.15405	31.6
320.15860	19.6
325.10608	3.8
325.14719	24.6
325.18265	2.2
326.06616	5.7
326.13074	5.4
337.05539	7.7
337.16434	3.7
343.04755	16.8
343.11383	8.0
343.15741	35.4
343.19797	6.7
344.07764	14.7
361.05630	8.6
361.12268	2.5
362.08640	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	343.096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	5.4
70.06584	6.2
71.11213	1.5
72.08131	2.1
73.04798	1.3
75.02102	1.0
82.99857	1.4
83.97670	1.4
84.08126	6.6
85.04027	3.3
85.06422	2.3
86.07187	3.7
86.09715	8.1
90.03793	2.7
98.97579	3.1
101.00854	7.2
101.47823	1.0
104.10738	2.9
112.02507	2.0
112.03690	1.1
116.07059	1.6
116.98605	2.1
119.01908	26.6
123.02804	1.5
124.03584	3.4
128.01909	2.1
129.02753	1.1
129.05106	2.2
129.10246	4.9
130.03514	8.5
137.02011	2.0
137.02974	5.7
138.02731	7.2
141.03943	5.5
141.04865	1.1
142.00943	1.7
142.04639	7.7
143.01884	1.3
143.03014	1.5
143.04927	3.1
144.05078	1.3
144.06129	1.5
145.03609	1.2
145.04547	5.6
148.04521	1.5
153.02573	11.7
153.05061	1.7
154.03450	1.4
155.03000	16.1
156.03786	49.1
157.03922	1.8
159.04897	5.0
160.05666	2.4
161.56345	1.0
163.05644	6.0
166.02925	3.7
166.04631	12.6
167.05409	21.3
168.04359	2.5
169.02853	2.6
169.04565	1.3
170.06026	6.2
171.03503	25.0
171.06174	6.9
173.04008	2.7
173.07674	2.0
173.52260	1.0
174.04797	7.3
183.04866	4.5
184.04109	2.0
184.05626	8.2
185.06480	18.8
186.09775	4.2
187.00243	1.4
187.05510	2.0
187.08673	2.2
188.07065	6.6
189.04816	4.1
189.05377	4.2
189.07011	1.2
191.06181	1.2
201.05917	20.1
202.06514	1.3
203.07437	1.8
204.10820	1.9
207.04799	4.3
207.06471	2.1
213.04701	9.9
213.06697	5.2
214.04901	3.5
214.09254	8.4
215.12321	1.2
219.06996	5.2
219.21320	1.2
225.05809	2.2
229.01381	1.3
231.05708	100.0
231.07715	17.4
232.05962	9.6
232.10262	16.5
238.59229	1.3
243.06773	2.5
249.06671	3.1
249.08890	7.0
259.05975	1.3
283.07425	13.9
283.12482	3.3
283.15982	1.2
284.07587	1.4
301.08524	74.1
302.02371	1.1
302.08713	4.9
302.13058	13.0
319.01752	1.6
325.14548	2.7
343.11447	3.1
343.15451	2.7
343.19656	1.6
344.07629	2.6
362.08643	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	343.1024
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03951	2.2
55.01867	0.8
57.03426	1.1
62.56231	0.3
65.03935	5.1
67.05501	2.5
69.03427	5.7
69.03798	0.4
70.06590	1.8
71.02615	0.6
71.02964	0.4
71.04982	0.7
72.08151	1.1
73.02905	0.6
77.03904	0.4
81.03417	12.7
82.03743	0.4
82.04180	2.1
84.04954	0.3
84.08133	1.0
85.02406	0.6
85.02903	10.3
86.09702	1.1
87.04483	0.4
90.90388	0.5
91.05450	0.5
93.03399	1.0
95.04967	3.3
97.02882	2.3
97.06523	1.2
99.04457	1.9
100.07615	1.4
105.04523	0.8
107.04941	0.4
108.02089	1.0
109.02879	5.3
110.03683	2.5
111.04426	1.1
116.07065	0.5
119.04950	2.3
120.08045	0.4
121.02851	0.7
123.04428	2.2
125.02335	0.8
125.05988	1.2
125.09550	0.3
127.03926	1.9
129.10257	0.9
137.02377	0.4
138.03107	1.4
140.04680	11.4
142.02608	0.4
145.04947	0.5
147.04405	12.3
149.94020	0.6
153.05481	2.3
155.07028	4.8
161.19656	0.4
165.05472	5.2
168.76903	0.3
171.06537	5.4
173.08131	0.3
181.04950	100.0
182.05304	2.5
199.06009	4.0
255.06476	3.1
256.06479	0.3
260.90121	0.4
283.05957	0.8
298.07401	0.4
308.05563	0.3
325.09149	10.1
326.09482	0.4
342.23972	0.5
343.09897	1.0
343.13565	1.1
355.67764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01865	0.6
55.05492	0.4
57.03442	1.4
61.02914	0.4
65.03938	5.9
67.01857	0.5
67.05491	2.5
68.99762	0.4
69.03064	0.4
69.03425	6.5
69.07062	0.3
69.22668	1.2
69.23074	0.4
70.06583	1.7
71.04972	0.9
72.08144	0.7
73.02915	0.6
77.03921	0.4
79.05494	0.5
81.03413	14.1
82.04197	2.3
84.04487	0.3
84.08127	0.6
85.02903	11.6
86.09697	1.2
90.90388	0.5
91.05467	1.0
93.03393	1.4
95.04964	4.4
97.02876	2.4
97.06537	1.5
98.23373	0.5
99.04447	1.9
100.07603	1.2
105.04517	0.6
107.08604	0.3
108.02108	1.3
109.02878	5.1
110.03665	3.1
111.04434	0.9
116.07086	0.6
119.04955	1.9
121.02859	0.5
121.04046	0.2
123.00815	0.5
123.04445	2.3
125.02359	1.0
125.05965	1.5
127.03887	1.9
129.10197	0.5
131.92958	0.3
132.04468	0.3
133.02899	0.3
133.08641	0.4
137.02309	0.5
138.02104	0.3
138.03062	1.4
138.67775	0.3
139.03854	0.4
140.04678	11.6
141.04980	0.3
142.02589	1.0
145.02850	0.3
145.04961	0.4
147.04408	12.1
149.94073	0.6
153.05461	3.1
155.07024	4.7
165.03142	0.4
165.05481	6.1
166.02626	0.4
171.06503	5.8
172.11526	0.3
173.08095	0.5
181.04945	100.0
182.05275	2.6
184.03639	0.5
196.93050	0.4
199.06000	3.5
200.13803	0.3
204.17184	0.4
224.06107	0.3
255.06503	3.0
256.06027	0.3
260.90405	0.4
283.05847	0.9
305.99725	0.3
325.09164	10.0
326.09427	0.5
342.23645	0.4
343.10034	0.9
343.13504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1025
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03940	3.5
55.01861	0.9
57.03421	1.3
58.21592	0.3
64.70638	0.3
65.03944	6.6
66.92104	0.3
67.05515	2.4
68.99783	0.5
69.03074	0.5
69.03432	7.4
70.02935	0.4
70.06583	0.6
71.04993	0.7
72.08163	0.8
72.31027	0.3
73.02912	1.1
77.03918	0.7
79.05477	0.7
81.03419	26.7
82.03775	0.5
82.04190	2.0
84.08080	0.4
85.02906	10.0
87.19170	0.4
91.05474	0.4
91.13026	0.3
93.03385	1.2
95.04969	5.5
97.02901	2.8
97.06532	1.9
99.04431	2.5
100.07639	0.9
100.11289	0.4
103.05473	4.7
105.04495	0.8
107.04888	0.4
108.02089	1.2
109.02182	0.7
109.02883	8.9
110.03660	2.6
110.06019	0.8
111.04435	1.6
114.78893	0.4
115.20431	0.3
121.06622	0.3
123.00829	0.5
123.04460	2.3
125.02370	2.1
125.05981	2.0
125.09631	0.4
127.03913	2.7
131.04936	10.2
132.05257	1.5
133.02864	0.4
137.05933	0.4
138.03119	1.3
140.04688	15.7
142.02609	0.8
145.86942	0.4
149.06009	0.3
152.03467	0.4
153.01897	0.4
153.05466	5.0
155.07039	5.2
161.05959	0.4
167.03430	0.9
167.07063	0.4
171.06516	4.6
173.05960	0.4
173.08037	0.5
175.07553	0.7
175.15923	0.4
177.01837	0.4
181.04953	100.0
182.05281	2.8
184.03625	0.6
195.02896	1.0
199.06013	3.8
199.07661	0.6
203.60651	0.3
213.19557	0.5
227.81877	0.4
263.07166	0.4
281.07968	0.4
283.08096	1.0
297.11029	0.5
325.05325	0.8
325.09171	16.1
326.09778	0.7
342.30719	0.4
343.15186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1178
Annotation	ISOTECTORIGENIN TRIMETHYL ETHER
Peak:m/z	Relative Intensity
64.06016	0.4
64.56736	0.4
67.05532	0.7
68.99830	0.6
69.03478	0.8
70.06652	0.9
70.43967	0.4
71.43106	0.4
72.08225	2.3
79.05560	1.3
81.03448	0.4
81.07077	0.6
83.05053	0.6
85.02960	0.7
89.10867	0.5
91.05555	1.5
95.05012	0.6
100.07674	0.7
103.05460	3.7
105.07020	5.5
107.05003	0.5
107.08652	0.5
119.05010	0.5
121.02921	0.9
123.00873	0.5
125.02375	0.8
125.09640	2.0
131.04921	10.6
132.05342	0.7
133.06520	1.0
135.04408	5.2
151.00456	0.4
151.03960	0.9
153.01811	11.9
154.21909	0.4
160.42273	0.5
163.03893	0.5
167.03505	0.6
169.01270	0.6
169.05144	0.5
171.02959	1.8
173.06053	0.5
179.03467	1.5
181.01311	8.2
181.05090	0.7
182.01779	0.4
187.10316	0.4
195.02902	2.4
196.16951	0.8
197.04536	1.7
199.02374	6.3
199.04131	0.4
211.03883	0.4
212.03012	0.7
213.19670	1.6
221.04433	3.5
222.04742	5.3
222.06583	0.5
226.21719	0.6
239.07289	0.7
242.05545	0.6
257.08078	1.2
265.08716	0.7
270.05185	2.0
281.04337	0.6
282.09131	0.6
284.06677	1.2
285.07550	12.6
286.04773	0.5
286.07874	0.9
297.07648	0.5
298.04706	1.2
299.09140	1.9
301.07120	0.7
312.06235	0.5
313.07019	89.6
314.07336	5.0
325.13843	0.6
326.10864	1.0
327.08527	3.1
328.09406	7.8
343.02463	1.9
343.11685	100.0
344.12054	7.6
344.25427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71434	0.8
51.80967	0.7
53.03936	1.9
56.28791	0.8
65.03929	2.8
67.05499	2.6
69.03429	4.8
70.06596	3.0
71.40788	1.1
72.08154	1.7
74.67955	0.7
79.05495	1.0
80.25884	0.7
81.03405	10.3
82.04196	2.0
85.02899	5.8
85.42609	0.7
86.09700	6.2
87.10036	2.3
91.05441	0.9
93.03403	1.2
95.04959	3.1
97.02901	1.3
97.06532	1.2
99.04459	1.3
100.11283	1.0
107.04935	2.3
109.02887	4.2
110.03632	1.5
110.06056	0.8
116.07064	3.9
117.07429	1.0
119.04951	1.4
121.02885	1.4
123.04418	1.8
129.10196	1.2
133.02840	3.8
137.02332	1.2
137.05930	1.6
140.04669	8.6
143.86925	0.8
145.04921	1.0
153.05504	1.5
155.07007	3.1
163.11205	2.1
165.05479	0.8
171.06566	2.6
181.04945	57.1
182.05318	2.1
199.06032	2.0
199.08080	1.1
201.05424	1.4
238.46236	0.8
250.06258	0.8
255.06502	14.6
265.04968	4.9
265.08322	0.7
281.04440	1.7
283.05951	10.5
301.07352	0.9
309.03952	1.6
324.66391	0.8
325.09009	8.1
343.13614	100.0
344.07593	2.2
344.13953	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	343.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.05259	1.4
55.05509	19.2
56.01433	1.1
56.05022	4.0
57.03432	1.9
65.03921	1.4
67.05504	14.4
68.05030	1.3
68.99771	1.7
69.03419	2.3
69.07063	19.9
71.04987	2.8
73.06561	2.2
73.72083	1.1
79.05491	10.0
81.03410	1.9
81.07053	38.3
83.01335	5.4
83.04971	2.9
83.06106	2.7
83.08626	16.8
84.04503	64.5
85.02908	8.9
85.06525	3.2
91.05476	10.1
93.07032	9.8
95.04961	2.8
95.08601	51.4
96.04484	5.5
96.08968	1.4
97.02882	1.2
97.06539	6.0
97.10152	5.2
98.06048	2.8
99.08077	2.0
102.05501	2.6
105.07020	10.8
107.04933	2.0
107.08581	5.6
109.10146	4.9
111.08054	2.6
113.09593	1.5
115.07583	1.4
117.07047	1.5
119.04919	5.7
119.08585	15.2
121.02863	10.7
121.06487	2.2
121.10128	5.7
123.00751	1.8
123.08042	4.1
127.01574	4.1
127.07549	1.5
130.05002	25.5
133.02855	7.5
133.10104	10.1
135.04352	1.6
135.11621	5.8
137.02327	4.9
137.05957	4.3
137.09583	2.7
137.13248	9.1
140.04694	2.2
142.04980	1.9
142.07719	1.7
147.04402	10.2
149.05984	1.8
153.01938	2.9
153.03079	5.9
156.08105	1.8
160.99644	1.4
161.09634	2.1
161.13246	24.7
163.03889	1.4
173.05974	1.7
179.14272	7.5
181.01314	17.8
181.04950	11.0
185.13031	1.6
190.99724	3.5
191.06970	1.3
193.02412	7.2
196.16975	11.3
199.02394	12.3
214.18004	100.0
215.18314	3.1
219.06613	1.5
223.02284	2.3
223.04181	1.5
254.97847	1.3
255.06595	7.5
257.76184	1.4
262.17969	16.4
265.08688	1.5
271.05920	2.3
279.20685	6.1
280.19055	25.3
281.08035	1.2
283.05923	2.3
287.00504	26.5
292.07239	1.5
297.11221	1.6
299.05487	86.9
300.05838	7.3
307.09680	1.8
307.19965	1.6
308.18491	3.9
325.10434	3.6
325.14273	1.5
325.21255	13.4
326.19537	45.4
327.19864	3.7
343.03876	2.8
343.08002	51.8
343.11761	30.1
343.15445	1.9
343.17651	2.3
343.22208	43.2
344.08429	4.5
344.22543	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	343.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.05259	1.4
55.05509	19.2
56.01433	1.1
56.05022	4.0
57.03432	1.9
65.03921	1.4
67.05504	14.4
68.05030	1.3
68.99771	1.7
69.03419	2.3
69.07063	19.9
71.04987	2.8
73.06561	2.2
73.72083	1.1
79.05491	10.0
81.03410	1.9
81.07053	38.3
83.01335	5.4
83.04971	2.9
83.06106	2.7
83.08626	16.8
84.04503	64.5
85.02908	8.9
85.06525	3.2
91.05476	10.1
93.07032	9.8
95.04961	2.8
95.08601	51.4
96.04484	5.5
96.08968	1.4
97.02882	1.2
97.06539	6.0
97.10152	5.2
98.06048	2.8
99.08077	2.0
102.05501	2.6
105.07020	10.8
107.04933	2.0
107.08581	5.6
109.10146	4.9
111.08054	2.6
113.09593	1.5
115.07583	1.4
117.07047	1.5
119.04919	5.7
119.08585	15.2
121.02863	10.7
121.06487	2.2
121.10128	5.7
123.00751	1.8
123.08042	4.1
127.01574	4.1
127.07549	1.5
130.05002	25.5
133.02855	7.5
133.10104	10.1
135.04352	1.6
135.11621	5.8
137.02327	4.9
137.05957	4.3
137.09583	2.7
137.13248	9.1
140.04694	2.2
142.04980	1.9
142.07719	1.7
147.04402	10.2
149.05984	1.8
153.01938	2.9
153.03079	5.9
156.08105	1.8
160.99644	1.4
161.09634	2.1
161.13246	24.7
163.03889	1.4
173.05974	1.7
179.14272	7.5
181.01314	17.8
181.04950	11.0
185.13031	1.6
190.99724	3.5
191.06970	1.3
193.02412	7.2
196.16975	11.3
199.02394	12.3
214.18004	100.0
215.18314	3.1
219.06613	1.5
223.02284	2.3
223.04181	1.5
254.97847	1.3
255.06595	7.5
257.76184	1.4
262.17969	16.4
265.08688	1.5
271.05920	2.3
279.20685	6.1
280.19055	25.3
281.08035	1.2
283.05923	2.3
287.00504	26.5
292.07239	1.5
297.11221	1.6
299.05487	86.9
300.05838	7.3
307.09680	1.8
307.19965	1.6
308.18491	3.9
325.10434	3.6
325.14273	1.5
325.21255	13.4
326.19537	45.4
327.19864	3.7
343.03876	2.8
343.08002	51.8
343.11761	30.1
343.15445	1.9
343.17651	2.3
343.22208	43.2
344.08429	4.5
344.22543	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03945	4.4
55.01863	5.4
55.05513	16.4
57.03426	6.7
57.07064	7.8
67.05505	27.6
69.03419	13.7
69.07050	5.7
69.11201	3.7
69.93463	11.9
71.05003	17.9
73.86687	3.2
79.05490	19.5
81.07067	23.9
83.04962	3.8
83.08653	4.9
85.06529	4.0
91.05486	42.2
93.07041	57.4
95.04967	60.1
95.08595	71.1
97.06525	11.2
98.22750	6.5
105.07032	81.2
107.08579	43.5
109.06509	15.3
109.10131	3.8
111.08049	4.8
115.05455	8.6
117.07009	27.7
119.08582	21.5
121.06493	11.2
121.10147	13.9
123.08092	21.3
124.03946	5.0
128.06239	3.8
129.06999	7.4
130.07780	16.1
131.08546	7.2
133.06482	6.9
133.10103	15.0
135.08051	26.2
135.11696	10.8
137.09593	9.5
143.08543	10.9
145.10121	71.2
147.08055	9.5
149.09666	4.6
151.07567	53.4
157.10095	9.2
159.08029	3.3
159.11722	5.2
161.09586	7.6
161.13203	3.6
163.11188	72.6
165.09096	20.8
171.11758	4.6
173.13226	4.7
175.84229	4.4
177.09111	6.0
179.07065	7.5
187.11185	7.8
189.12738	9.9
191.10573	3.8
191.14233	5.0
197.13300	4.6
203.14253	9.9
207.10120	4.6
207.13710	8.0
209.13181	5.9
209.15167	4.3
213.12779	4.5
215.14223	4.7
221.15346	40.4
233.15401	4.7
263.16458	6.9
269.15195	4.8
298.97073	3.8
303.01212	3.7
307.20624	3.9
325.21619	12.5
343.11938	6.9
343.22659	100.0
344.23102	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.77891	1.9
53.03941	4.2
54.32259	2.2
55.01866	7.5
55.05508	15.4
57.03426	7.9
57.07079	11.3
59.04996	5.6
60.31021	1.8
60.49180	3.0
61.30990	2.1
65.03901	2.7
67.05502	26.3
67.11381	2.2
69.03421	12.8
69.07053	8.7
70.06557	2.2
70.55913	3.6
71.04990	19.4
79.05486	24.0
81.03397	4.2
81.07050	35.0
83.04974	5.3
83.08609	3.2
85.06536	5.3
87.04449	11.4
87.70572	2.1
88.07603	3.3
88.92298	2.1
91.05482	30.0
93.07043	74.4
95.04965	56.9
95.05484	1.5
95.08601	91.5
96.08965	2.5
97.06530	12.1
103.05385	3.7
104.15441	2.0
105.07025	83.2
106.07323	2.8
107.04941	3.9
107.07841	2.8
107.08587	57.2
108.05729	2.6
109.06506	19.4
109.10166	10.5
113.09711	2.1
115.05428	9.9
115.60062	2.1
117.07011	31.2
119.06156	2.4
119.08575	34.4
121.06471	15.5
121.10126	23.8
123.08060	30.1
123.11726	3.5
124.03920	2.5
125.05997	3.3
129.07036	6.8
130.07771	15.3
131.08537	8.4
133.06500	8.8
133.10120	20.9
135.08037	26.6
135.11694	21.6
137.09631	6.9
142.07774	2.8
142.29315	2.0
143.08577	11.6
145.06500	2.5
145.10114	88.3
146.10461	3.1
147.08093	17.4
147.11697	7.3
149.09624	7.5
149.13237	3.3
151.07538	53.7
153.09067	3.6
155.08525	2.5
157.10143	8.4
159.08058	3.5
159.11681	8.7
161.09628	9.3
161.13283	6.1
163.11168	65.3
164.11559	3.1
165.09106	22.3
167.08531	2.4
169.10104	5.9
171.11693	6.5
173.09679	5.5
173.13298	5.8
175.11182	7.4
175.14772	2.4
177.09090	6.8
179.07062	4.6
179.10509	3.3
181.10153	2.5
181.12183	3.3
182.10948	2.8
183.11652	2.8
184.65392	1.9
187.11230	6.8
187.14865	3.6
187.86455	2.2
189.12721	12.2
191.14264	2.7
195.11809	2.4
197.11450	2.8
197.13266	5.7
199.11189	2.4
203.14365	8.1
207.11893	4.5
207.13815	9.5
209.13283	4.6
209.15263	4.6
215.14331	5.5
221.15358	24.6
223.14688	4.2
225.16345	2.9
227.14438	2.1
233.15355	4.9
240.23177	4.0
241.15982	3.4
243.13774	4.8
263.16333	7.6
269.15317	6.1
282.08948	3.0
286.04691	3.9
286.19287	4.2
287.16345	3.5
307.20499	4.0
308.85526	2.3
313.07040	3.5
325.21588	14.1
343.11746	15.1
343.22656	100.0
343.29584	5.6
344.11813	2.2
344.22986	7.1
344.31445	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.41378	3.0
53.03944	4.5
55.01855	6.5
55.05511	17.0
55.89171	2.7
57.03423	7.5
57.07063	10.6
59.04972	4.8
65.03912	5.5
67.05500	32.7
69.03413	9.7
69.07061	11.6
71.04980	21.6
71.43307	2.9
78.69157	2.7
79.05481	27.8
81.07051	31.5
83.04978	5.9
83.08606	3.2
85.06526	4.4
91.05470	41.0
93.07032	69.4
95.04961	66.8
95.08599	87.7
97.06522	17.0
105.07018	83.0
107.08586	62.4
109.06518	16.1
109.10172	6.0
109.95493	2.6
115.05450	6.5
117.07014	32.5
117.73311	3.4
119.08559	30.7
121.06474	19.2
121.10116	16.6
123.08056	25.4
124.03969	8.8
128.06203	5.5
129.06995	6.0
130.07780	18.8
131.08530	9.6
133.06496	6.1
133.10124	19.4
135.08055	30.3
135.11702	20.8
137.09595	7.2
140.83485	2.8
143.08557	8.0
145.06476	3.4
145.10109	90.9
147.08031	17.6
149.09612	9.5
151.07518	59.4
157.10155	7.7
159.11681	9.4
161.09618	12.1
161.13263	6.3
163.11165	74.7
165.09134	24.9
169.10022	3.1
173.09552	5.4
173.13245	6.3
175.11171	6.4
177.09145	6.1
179.07007	7.5
179.10622	4.5
185.13200	3.9
187.11124	4.3
189.12698	11.3
191.10701	3.3
197.13210	4.1
203.14340	10.8
207.11839	4.1
207.13779	6.6
209.15395	4.1
214.49301	3.2
221.15318	37.2
223.14728	3.4
233.15427	4.1
240.23199	5.4
241.16119	3.5
263.16415	8.4
269.15472	3.7
277.65845	3.2
282.27887	5.0
286.19357	4.9
301.06955	3.3
313.07092	6.5
325.21506	11.4
343.11841	17.2
343.18964	6.5
343.22629	100.0
343.26587	6.9
344.23050	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	344.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.5
58.06568	0.6
62.17694	0.4
63.17529	0.4
63.24456	0.4
65.03941	0.8
67.01859	1.6
67.05468	0.5
68.87304	0.4
68.99795	2.1
69.03411	0.8
69.68726	1.0
69.69120	0.8
70.06594	1.0
72.08142	1.1
81.03428	0.6
84.08123	0.8
85.02897	1.2
86.09689	1.5
91.05473	1.0
95.01321	2.0
96.04446	0.5
97.02873	0.6
99.65881	0.5
100.07602	0.5
103.25031	0.5
107.04941	0.6
109.02864	1.0
115.05394	0.5
118.47673	0.4
119.04955	5.6
121.02865	5.5
123.00730	0.5
123.45151	0.4
127.03947	0.7
133.02800	0.5
136.03943	0.6
137.02338	7.3
137.05981	1.2
139.00246	1.1
141.01802	1.3
145.02846	3.9
146.06999	0.5
147.04388	1.9
152.06224	0.6
153.06990	0.7
155.03401	1.6
157.01289	1.0
163.00252	0.7
163.03925	1.4
165.01820	1.9
168.02919	2.5
172.03886	0.5
178.01392	2.5
180.02904	1.8
181.01285	3.6
181.04904	1.0
181.06468	2.6
182.05290	1.4
190.99750	4.4
196.02385	1.4
199.05521	0.4
204.06451	1.0
205.07056	0.7
206.00839	0.9
209.00772	2.4
209.05977	1.8
224.01889	1.8
225.05495	1.2
227.06966	0.5
229.04932	1.9
237.05463	3.7
239.06920	0.8
241.04834	0.6
247.05988	1.6
255.06512	100.0
256.06824	5.3
257.04440	4.4
265.04950	27.1
266.05414	2.1
271.05969	1.2
275.05414	1.5
281.04440	13.3
282.04730	1.0
283.05997	61.5
284.06274	3.0
298.07065	2.6
299.05450	2.1
301.07043	0.5
308.05487	1.0
309.03906	12.0
316.08069	1.4
326.06601	6.2
326.10504	0.8
327.04816	5.2
344.07611	22.7
344.13120	4.8
345.08075	0.7
345.15033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
55.72000	0.5
68.99779	1.2
71.36335	0.5
77.03895	0.6
81.03406	3.3
91.05469	3.2
95.04954	1.7
99.66689	0.6
99.95475	0.5
103.05463	29.0
105.03374	2.7
108.04418	0.5
109.02877	0.8
115.05413	0.7
117.07017	0.9
121.02793	1.0
122.05942	0.5
123.04401	0.7
124.03925	0.6
125.02374	1.5
127.03817	0.5
131.04918	100.0
132.05226	3.1
133.02931	0.8
149.02342	1.8
150.05507	2.6
151.03876	2.4
153.01851	0.6
153.06866	0.6
154.04988	0.7
155.03453	0.7
165.07010	1.5
167.03381	1.4
167.08582	0.8
173.05959	6.8
176.03395	1.4
177.01825	5.7
178.05017	2.3
178.07738	1.2
179.03444	0.8
179.08527	2.9
181.10051	0.6
183.08092	0.7
187.35361	0.6
189.06976	1.1
190.07753	2.1
191.08527	5.6
193.06531	0.7
194.04500	0.7
195.02892	7.8
195.08113	0.7
199.07541	14.5
200.07918	0.7
201.07062	0.7
205.01402	0.9
207.08008	2.8
209.09709	1.1
217.06488	0.8
218.07349	1.2
219.08044	8.6
222.03992	1.0
223.02455	1.2
229.07646	0.9
235.07541	4.0
237.09113	2.4
237.25391	0.5
239.06914	0.6
240.05057	2.0
253.08516	1.2
255.21884	0.5
263.07022	11.8
264.07278	0.6
265.08609	3.3
267.06516	0.6
273.05630	0.6
280.09720	1.2
281.08078	6.3
282.11240	1.0
284.09082	2.5
291.06482	7.9
299.09225	1.2
308.09097	3.4
309.07571	2.1
314.29208	0.6
326.10211	5.9
327.08591	4.4
344.11255	7.5
345.11371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.56587	0.5
55.05508	0.5
56.43932	0.4
60.97335	0.4
68.99774	1.2
69.59455	1.0
77.03944	0.9
81.03417	2.2
87.00947	0.4
90.06915	0.4
91.05482	3.5
95.04939	1.2
97.02835	0.6
99.04462	0.7
103.05463	33.6
104.05771	0.6
105.03389	2.3
105.07030	0.8
109.02862	0.8
115.05457	0.5
117.07033	0.8
117.22774	0.5
123.04418	0.6
124.03893	0.4
125.02323	1.4
129.07007	0.6
131.04921	100.0
132.05241	3.4
132.67421	0.5
133.02840	1.0
145.06413	0.5
149.02333	2.3
150.05492	2.2
151.03908	2.4
153.01848	1.0
153.06926	0.7
154.05008	0.7
155.04964	0.6
155.08620	0.5
165.07025	2.1
166.04997	0.5
166.07706	0.7
167.03418	1.3
167.08595	0.8
173.05968	7.2
176.03442	1.0
177.01819	6.0
178.05019	1.6
178.07809	1.7
179.03456	0.6
179.08539	3.3
181.01280	0.7
185.05949	0.5
189.07013	0.9
190.07762	1.5
191.08533	5.5
193.10077	0.5
194.04431	0.6
195.02890	7.0
195.08060	1.0
196.03358	0.4
199.07541	14.9
205.01308	1.0
205.06543	0.5
207.08046	3.0
209.09599	1.4
217.06473	0.5
218.07262	1.5
219.08049	7.5
222.03922	1.0
223.02385	1.8
229.07594	0.5
234.09160	0.5
235.07558	3.7
237.09073	2.9
239.07086	0.7
240.05057	1.6
245.05841	0.5
253.08572	0.9
263.07013	13.4
265.08557	3.7
267.06522	1.2
280.09674	1.3
280.34393	0.4
281.08041	6.9
282.11185	0.7
284.09085	2.2
291.06497	6.7
298.10739	1.0
299.09103	1.4
308.09256	2.9
309.07477	2.5
326.10242	5.4
327.08450	3.2
344.11292	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	344.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.05516	12.0
56.05027	2.6
57.03443	2.4
65.03928	1.8
66.83963	1.3
67.05507	11.3
68.87206	1.3
68.99784	5.3
69.03436	2.9
69.07069	1.6
69.75591	1.8
69.75928	5.5
70.02959	1.4
70.06587	4.1
71.04974	1.9
72.04524	1.7
72.08157	18.5
77.03952	1.4
79.05489	10.0
80.05037	1.9
81.03419	22.7
81.07064	3.7
82.06565	1.3
83.04981	7.0
84.04485	2.8
84.08145	5.0
85.02924	2.8
88.17429	1.5
90.05569	3.6
91.05459	2.2
95.01330	16.7
95.04967	5.1
95.08603	2.7
97.02892	1.7
98.06055	12.6
98.09716	2.0
98.23356	2.7
100.07605	11.3
103.05470	30.9
105.03403	4.6
107.04944	2.0
107.08592	6.5
108.04485	1.4
109.02883	15.2
110.06053	14.2
110.09661	2.1
119.01338	1.7
121.02873	2.1
123.04465	3.7
124.07590	2.8
124.11232	4.8
125.09628	26.8
126.05524	13.2
127.03918	4.1
128.07054	4.3
131.04926	100.0
132.05258	3.1
133.02866	2.3
135.00774	1.7
141.13911	1.6
149.02333	11.1
151.03923	5.3
164.10786	1.6
165.01823	1.6
166.08624	2.7
167.03395	13.2
168.06590	5.0
169.01283	9.8
169.06531	2.2
173.05948	5.0
176.25352	1.6
177.01826	7.8
179.03427	1.5
181.01283	8.3
181.04985	5.9
181.06430	2.1
182.05298	6.1
184.09732	4.4
187.03925	8.3
190.99742	5.6
194.04501	5.5
195.02888	43.0
196.06137	2.7
196.17009	4.2
196.86108	1.5
197.05968	7.1
199.02382	4.4
204.17101	2.3
209.00822	2.8
209.06097	1.8
211.02238	2.1
212.05504	6.1
213.19589	11.9
215.07103	3.7
215.60872	1.5
222.04059	2.0
225.05420	3.6
235.02362	4.6
237.05434	2.8
237.09048	2.0
253.05121	1.7
253.08528	4.4
263.07019	1.5
273.18149	2.0
281.04453	31.6
281.08084	16.7
298.10699	5.9
298.14203	1.5
308.09088	1.5
309.03940	70.2
310.04254	4.0
315.04767	2.6
326.13882	3.8
327.04166	1.8
327.08456	1.5
344.15424	3.3
344.25430	13.5
345.09680	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95344	0.3
53.18076	0.2
54.07537	0.2
55.05495	0.3
67.05465	1.0
70.06575	0.7
72.07800	0.2
72.08147	3.4
79.05460	0.9
81.03409	0.3
81.07014	0.6
83.04943	0.5
88.07609	0.4
89.10758	0.3
90.05499	0.4
91.05440	0.9
100.07581	0.3
104.04949	0.8
104.99253	1.1
107.08557	1.1
109.02851	0.3
115.05460	1.2
115.07557	1.2
117.07020	2.5
124.11188	0.8
125.09615	4.4
128.06194	0.7
129.06978	3.2
131.04919	0.6
139.05399	1.6
141.07011	1.4
141.07933	0.2
142.06451	0.6
143.07327	0.3
144.08070	3.2
145.06462	3.7
154.06468	0.7
155.06009	1.1
155.07202	0.5
156.08061	4.8
157.06480	0.3
166.06488	2.0
166.08588	0.3
167.04909	1.5
167.07268	0.7
168.02956	0.3
169.06416	0.3
170.05986	3.9
172.07564	12.7
173.07903	0.8
183.06755	0.8
184.07568	3.9
184.09480	0.5
188.07031	0.6
194.05927	0.7
196.07555	12.0
196.16920	0.7
197.07861	0.6
198.05476	1.4
201.80307	0.2
212.07031	10.1
213.05428	2.3
213.07301	0.6
213.19614	2.5
240.06516	100.0
241.04614	0.4
241.06863	4.1
256.26328	0.5
262.98157	0.9
263.57413	0.3
266.44052	0.3
270.70175	0.2
344.12769	33.9
344.25253	1.9
344.31494	1.3
345.13153	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
57.03434	1.8
58.94558	0.8
61.02916	2.3
62.94183	0.7
64.72159	0.7
65.03932	2.3
67.05496	1.0
69.03436	7.7
70.06599	4.5
72.08149	8.6
73.02906	0.9
74.93163	1.0
81.03405	5.4
82.03749	1.6
84.04509	0.9
84.08117	2.9
85.02900	20.1
86.09718	4.4
89.06009	3.1
91.03934	1.1
91.05471	6.5
95.04971	1.4
95.08615	1.1
97.02892	4.7
99.04446	1.8
100.07614	9.0
103.05466	1.0
109.02882	2.5
110.03178	1.0
110.09678	2.0
116.07076	2.7
116.97239	0.9
119.04939	20.1
120.05270	1.3
120.08122	4.7
123.04411	2.7
124.03979	2.6
125.07110	0.8
127.03893	3.2
133.08578	1.7
137.02328	0.8
140.04643	1.3
141.05005	1.2
145.04900	3.6
147.04401	100.0
148.04756	2.8
152.07018	0.8
163.36841	0.8
165.05473	43.0
166.05841	1.6
171.06566	0.9
172.06906	0.9
172.11549	1.1
180.08687	0.9
181.04930	12.0
182.05313	14.6
187.14400	1.2
201.12401	1.3
204.17068	2.0
206.04840	0.9
224.05956	1.7
255.06554	2.9
256.06909	1.6
265.04965	1.4
283.06088	1.3
309.03995	1.5
326.09335	1.7
344.25476	5.6
345.05960	3.3
345.15112	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.9
69.03429	4.6
69.07068	0.8
70.06586	8.5
71.42822	0.7
72.08160	7.1
74.20100	0.8
81.03426	4.4
83.06149	0.9
84.04501	1.4
84.08138	2.2
85.02892	5.7
86.09701	3.5
87.04474	0.8
88.03966	1.0
97.02872	1.7
98.51077	0.8
98.98471	1.4
99.04448	1.8
109.02859	1.6
110.03503	2.7
111.58396	0.9
116.07081	2.7
121.03967	1.6
122.07098	1.6
125.09597	0.9
127.03893	1.2
128.04440	0.9
129.10239	1.7
135.03014	15.5
136.03786	1.3
137.04559	3.2
140.04529	1.7
147.04601	1.6
150.07732	4.1
153.04065	29.8
154.02483	1.2
164.05646	7.2
165.06451	19.6
166.07268	5.2
167.05565	1.4
168.02792	1.4
171.14920	0.9
182.06723	100.0
183.06995	2.3
185.16406	1.0
199.14557	0.9
249.60510	0.9
255.06541	1.4
262.77994	0.9
302.09811	0.9
344.08459	1.8
344.12054	5.7
345.22504	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	344.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.6
58.00671	1.0
60.05641	1.3
60.08181	1.2
61.71599	1.1
63.42299	1.2
69.07063	2.8
70.06590	8.1
70.64038	1.4
72.08157	3.5
81.04561	1.2
82.99866	1.6
84.08134	2.4
85.02916	1.0
85.04059	1.5
85.06396	1.0
86.07188	16.1
86.09700	55.1
87.43833	1.1
90.03780	6.3
97.06519	4.1
101.00853	10.9
102.00951	1.0
102.04036	1.3
104.10734	24.4
104.11380	1.9
114.32150	1.1
116.07055	1.4
118.03490	5.4
119.01905	41.1
120.02039	3.2
121.01654	1.4
122.07153	5.6
126.03755	2.4
129.05103	1.0
129.10245	1.7
130.03502	5.0
131.01891	1.9
137.01990	1.8
137.02922	10.9
138.02934	2.5
141.03954	1.2
141.05045	1.4
142.03557	2.4
143.01765	1.5
143.04752	1.1
144.05052	4.3
144.06125	1.8
144.08728	2.0
145.04657	1.3
147.06158	1.0
148.04549	1.4
154.03531	1.8
155.03030	3.3
156.03893	11.0
156.05028	1.8
157.03876	5.8
158.03625	2.2
159.04910	7.2
160.04555	1.5
160.08203	1.2
161.05891	1.4
162.07332	1.2
162.09755	1.5
163.05627	2.3
166.04660	3.4
167.05377	4.0
168.05556	4.7
168.08733	2.7
169.05025	1.8
169.09367	4.7
170.05995	2.6
171.04572	2.6
171.06139	2.9
172.03703	2.5
172.08215	5.0
173.03458	1.2
174.04778	1.5
175.12045	1.5
177.06061	1.6
183.04866	1.7
184.05673	2.5
185.06473	6.8
185.09012	1.3
186.06715	3.3
186.09737	33.9
187.05934	1.4
187.09825	3.0
188.07140	1.5
189.04799	6.2
189.07069	1.3
190.04993	1.3
191.04047	1.8
191.07703	1.1
195.06146	1.7
196.08179	1.6
197.06502	1.5
199.05690	2.3
201.05870	7.1
201.12401	1.2
202.06096	3.8
204.10782	11.6
207.05832	6.4
207.08549	1.2
208.04829	1.6
208.95953	1.5
211.05484	2.0
213.05171	3.2
213.07043	3.1
214.04942	2.1
214.07130	2.4
214.09236	45.9
215.07619	2.7
215.09561	3.1
219.07103	2.1
231.05753	30.4
231.07722	6.0
232.05853	16.0
232.10274	100.0
233.05540	4.5
233.10495	6.7
243.06569	3.6
249.06671	1.5
249.08905	1.5
250.06850	1.4
254.10947	2.3
256.12643	2.0
259.05930	5.0
266.11081	1.4
272.09158	1.3
272.12024	2.0
274.13608	2.3
277.07190	1.7
284.07651	2.2
284.12042	7.1
285.16528	3.4
287.05478	2.2
299.06485	1.5
300.08459	1.9
302.08725	10.8
302.13107	51.5
303.08258	3.5
303.13342	5.0
303.17664	8.3
316.08121	1.4
320.14221	2.5
325.14523	1.3
326.06693	2.1
344.07953	10.4
344.12921	1.3
345.07809	1.4
345.22281	3.6
362.08649	9.8
363.08563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66382	1.4
53.03942	11.0
55.01865	2.8
55.26892	1.4
57.03439	6.2
61.02927	9.2
67.88386	1.3
69.03427	49.3
70.27484	3.7
71.04994	3.5
73.02918	5.7
81.03419	45.7
82.03764	1.4
85.02905	100.0
86.03227	1.7
97.02883	24.7
98.22717	2.2
99.04462	13.0
103.03952	6.6
105.07039	9.7
108.04485	8.4
109.02874	57.7
127.03913	87.7
128.04230	1.9
129.85657	1.4
129.86719	1.4
131.48709	1.4
133.02812	2.2
133.04971	2.4
134.03154	2.1
145.04951	23.1
169.04956	9.8
182.05318	2.2
187.06017	49.9
188.06395	1.7
205.07071	87.3
206.07378	3.4
269.04556	1.8
284.06808	4.3
300.05862	1.9
312.06244	2.8
330.07376	2.8
344.08383	2.0
344.22009	3.2
345.09769	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22203	5.4
55.01871	6.8
55.05513	50.0
56.55091	5.6
57.03448	6.1
60.59107	5.1
67.05497	66.7
69.03419	15.1
69.07063	32.5
69.34218	5.2
70.06597	6.1
71.04977	18.7
73.28397	5.4
74.43929	5.1
79.05491	61.4
81.03418	11.9
81.07053	86.2
83.04993	16.5
83.08604	41.4
85.02915	14.4
91.05473	59.8
93.07042	60.4
95.04956	30.0
95.08624	51.0
97.06538	11.7
99.08065	9.4
104.99255	11.9
105.07030	24.0
107.08582	30.6
109.06525	11.6
109.10155	25.7
111.08073	22.3
113.09620	6.8
119.08539	27.4
121.10146	50.4
123.08074	18.3
125.09619	16.3
131.08591	12.6
133.10129	32.9
135.08029	12.4
135.11694	16.1
137.09598	12.1
139.11143	6.3
145.10164	12.2
147.11621	7.8
148.05171	8.1
149.05977	6.5
149.09639	24.1
151.11198	12.1
155.10701	6.2
161.09616	14.9
163.11105	8.2
167.10692	11.7
168.56435	5.6
173.11772	10.7
175.11188	8.2
179.10674	6.4
226.21587	27.4
256.26282	8.6
262.98059	10.1
273.18475	9.6
284.06937	28.3
291.19595	10.7
312.06229	19.2
330.07370	21.5
344.12158	9.7
344.25150	6.7
344.29382	14.5
345.09686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	20.3
55.05511	76.2
57.03421	24.2
66.95425	14.7
67.05495	84.7
69.03433	20.5
69.07065	50.8
71.04993	51.2
79.05499	82.3
81.03429	21.3
81.07046	74.4
82.06587	19.9
83.04980	20.3
83.08627	55.5
88.07596	20.6
91.05482	53.0
93.07023	100.0
95.04983	39.6
95.08600	48.4
97.10174	80.6
99.04420	16.5
104.99260	58.9
105.07041	41.8
107.04932	18.1
107.08585	40.8
109.06518	22.3
109.10146	32.6
112.98559	17.3
117.07083	19.5
119.08585	51.6
121.10139	36.2
121.34831	18.5
123.08068	27.8
124.03954	56.9
125.09632	47.1
131.08502	30.6
145.10123	18.8
157.10043	18.4
159.11697	18.3
189.11220	77.7
223.13251	25.1
231.43736	16.9
262.98230	29.2
273.18298	35.2
284.06876	22.2
291.19421	27.4
291.85916	17.9
308.22034	37.5
313.10629	52.9
326.23651	20.9
344.24054	20.6
345.09811	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79150	11.4
57.07050	11.2
64.65772	14.0
67.05486	36.8
69.07060	58.7
71.04996	19.6
79.05482	40.1
81.03414	31.8
81.07044	41.0
83.08617	14.1
91.05469	38.2
93.07039	38.2
95.04958	21.7
95.07988	9.1
95.08630	28.5
97.06522	100.0
104.99263	28.2
105.07032	35.4
107.08589	24.0
109.10175	12.6
115.07576	26.8
119.08572	20.1
121.10100	13.5
126.11819	10.7
128.34763	9.7
131.04942	11.3
131.08594	17.3
133.10104	25.1
135.11676	13.3
159.11720	11.6
181.10030	13.7
187.06026	13.0
262.98251	22.1
273.18356	12.5
304.99911	13.1
313.10660	24.7
344.18259	22.2
345.12875	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.5
55.05503	24.9
63.22935	10.8
67.05498	48.7
69.03418	19.1
69.07056	51.8
71.04986	22.9
71.42399	10.7
74.82900	8.3
79.05484	56.2
81.03413	33.0
81.07045	50.2
82.76694	9.9
83.04959	14.0
83.08604	12.9
85.06551	9.2
91.05465	41.7
93.07022	46.8
95.04960	35.3
95.08597	38.6
97.06528	67.6
104.99252	12.8
105.07002	32.0
105.96925	9.3
107.08596	33.6
109.06519	20.3
109.10132	20.4
113.05975	10.3
115.07544	16.1
117.07012	17.3
119.08590	17.5
121.02917	13.9
121.06438	8.5
121.10147	22.1
123.08058	11.2
123.52133	8.4
124.03948	100.0
124.64423	10.0
125.11046	7.7
129.06998	14.6
131.08548	33.4
133.10115	14.6
135.08067	16.8
141.06985	9.0
145.10060	14.4
159.11711	17.6
164.17365	9.4
177.12564	10.9
183.11584	9.1
223.13208	10.1
273.18442	12.0
291.19632	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	344.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01481	0.7
52.84805	0.9
55.05505	2.6
57.03434	8.4
58.06599	3.0
65.01950	0.7
67.05496	9.8
69.07061	1.3
69.12366	0.7
69.22922	0.8
70.06590	12.5
71.04982	2.5
71.45597	0.9
72.04518	6.4
72.08152	45.1
79.05489	2.3
81.03405	5.8
81.07055	3.3
82.06574	1.6
83.04973	2.3
84.08141	4.7
89.06017	1.5
90.05517	1.3
93.07030	1.9
95.04979	2.9
95.08604	33.5
98.09686	3.9
100.07614	100.0
101.07927	1.4
107.08566	1.4
110.09674	18.7
110.58180	0.8
114.12705	0.7
115.07584	1.0
123.08070	12.2
123.20942	0.8
124.07624	2.3
124.11228	15.0
125.09644	6.1
127.12311	1.9
129.10278	1.1
133.09689	1.0
141.09099	5.8
152.10678	4.3
182.05325	1.0
187.14398	18.1
194.15370	7.5
196.16916	1.8
204.17064	31.0
212.16487	6.9
213.19637	4.5
230.18683	1.9
240.15936	7.8
256.20187	4.1
273.18073	0.9
326.24323	10.7
327.22733	1.7
344.25415	65.3
345.25784	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	344.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75563	0.9
55.01871	1.2
55.05507	4.6
55.28379	0.9
57.03442	8.0
58.06590	3.2
67.05499	16.8
69.07070	2.3
69.77892	1.9
69.78288	2.2
70.06590	12.9
71.04991	1.5
72.04516	7.2
72.08155	60.0
73.08467	1.0
79.05492	12.3
81.03414	4.6
81.07043	9.6
82.06593	2.7
83.04970	9.4
84.08140	4.0
89.10789	3.4
90.05558	6.6
93.07023	3.1
95.04962	2.9
95.08603	27.6
96.08158	1.0
97.06530	3.9
98.02390	1.3
98.09688	4.1
99.08041	1.2
100.07615	100.0
101.07932	1.4
105.07011	1.2
107.08604	9.3
108.08127	1.2
110.09669	16.6
111.10484	1.1
123.07223	1.7
123.08053	10.2
124.07588	3.0
124.11221	21.1
125.09628	36.7
126.09155	1.1
126.09993	1.1
136.11241	0.9
138.09232	1.1
141.09097	5.2
141.13892	1.4
152.10669	3.5
163.63864	1.2
166.08649	3.7
184.09683	5.3
187.14407	18.0
194.15479	5.2
196.16966	5.7
204.17064	25.6
212.16451	9.1
213.19604	17.3
214.14528	1.5
240.15965	7.3
256.15558	1.6
256.20169	3.6
273.18097	2.1
326.24265	8.2
344.25427	70.5
345.25647	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	344.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05510	2.0
55.32873	0.5
56.05025	1.0
57.03432	7.6
58.06594	2.5
67.05505	6.1
68.05010	1.0
69.03413	0.6
69.07056	2.0
69.95809	0.7
69.96139	1.1
70.06587	9.2
71.04994	2.9
72.04522	5.0
72.08152	36.3
73.07669	0.7
79.05493	1.5
81.03407	4.2
81.07063	2.2
82.06558	0.6
84.08156	3.5
86.73036	0.6
89.06032	1.1
93.07040	2.1
95.04979	1.9
95.08601	32.0
96.08151	1.0
97.06549	1.3
98.09712	3.9
100.07611	100.0
101.07962	1.5
105.06981	0.7
107.08617	0.7
108.08118	0.6
109.06573	0.6
110.06023	0.7
110.09674	16.7
118.85232	0.6
123.08070	9.9
124.07615	1.0
124.11226	13.9
125.09631	0.9
126.09121	1.1
128.10692	0.7
129.10201	0.7
141.09108	5.7
152.10703	4.5
169.13466	0.6
176.14363	0.7
181.04927	1.4
182.05344	0.9
187.14410	16.8
187.16100	1.2
194.15384	5.9
197.78326	0.7
204.17059	26.3
205.17448	0.6
212.16455	8.7
230.18614	1.5
240.15942	7.4
256.20142	3.3
326.24387	9.9
327.22766	1.1
344.25418	56.5
345.25732	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	344.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
55.05507	10.0
57.03431	4.6
58.06587	3.5
59.05002	2.8
67.05504	31.3
69.07066	5.5
69.25986	6.2
69.26403	3.3
70.06590	14.8
71.04997	3.7
71.49371	1.5
72.04514	9.6
72.08151	97.8
73.02900	1.8
78.78749	1.4
79.05488	26.7
81.03403	3.3
81.07053	20.9
82.06578	3.1
83.04972	28.8
84.08139	5.7
87.04476	3.3
89.10791	9.0
90.05553	13.8
91.05473	1.6
93.07053	2.6
95.04954	6.0
95.08607	16.0
97.06550	6.8
98.02398	3.2
98.09692	3.0
98.22701	3.3
99.17200	1.5
100.07615	64.0
105.07041	1.5
107.08587	29.5
109.97881	1.4
110.09669	9.8
113.31139	1.5
116.03443	1.7
121.10136	1.3
123.08038	2.0
124.07600	5.4
124.11225	27.4
125.09626	88.3
126.09971	2.2
128.10744	2.7
136.11273	1.8
141.09085	4.1
142.08623	2.8
142.12257	3.7
145.13379	1.9
152.10686	2.8
166.08626	11.4
177.71281	1.5
181.04977	2.6
182.05214	2.2
184.09683	14.4
186.63097	1.6
187.14427	11.7
195.18562	2.1
196.13365	2.4
196.16951	20.5
200.99756	1.3
204.17049	23.3
208.02722	1.5
212.16492	2.6
213.19601	50.1
214.14310	6.6
236.03236	1.4
240.15950	3.9
256.15390	3.4
256.20251	4.1
273.18134	5.5
326.24243	6.9
327.22571	3.4
344.25424	100.0
345.15176	24.8
345.25699	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	344.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.4
57.03435	10.0
59.04985	3.4
64.16934	1.3
65.66011	1.0
67.05162	1.8
67.05502	30.6
69.07053	4.0
69.78042	4.5
70.06588	13.9
71.04984	1.8
72.04519	8.2
72.08151	86.9
75.29449	1.4
79.05493	25.2
81.03412	3.0
81.06629	1.5
81.07056	17.6
82.06545	1.8
83.04973	16.5
84.08131	3.7
89.10786	10.1
90.05551	15.0
91.05444	1.9
95.04966	4.9
95.08603	14.0
97.06490	1.3
97.10166	1.3
98.02411	5.0
98.09696	3.6
98.23450	1.3
99.08054	1.2
100.07616	34.7
105.07007	2.8
107.08584	32.2
108.08910	1.3
110.09684	7.2
116.03455	1.5
123.08042	3.5
124.07575	6.3
124.11224	23.6
125.09626	100.0
126.09975	2.8
136.34953	1.2
141.09059	2.1
141.13869	2.9
142.12271	2.1
149.09605	1.3
152.10680	1.7
166.08621	11.4
173.44676	1.2
182.05379	1.4
184.09674	17.5
187.14467	6.8
194.15501	2.5
195.18544	1.9
196.16985	21.8
204.17085	9.2
212.16516	2.4
213.19606	58.1
214.19913	1.9
218.74017	1.1
238.14319	2.3
240.15988	2.8
256.15372	3.3
273.18079	8.0
326.24384	3.7
327.22629	2.6
344.25424	81.8
345.25894	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	344.2544
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
55.05511	5.3
56.05048	0.5
57.05799	0.7
58.10666	0.5
60.58770	0.6
67.05490	0.7
69.03415	1.2
69.07068	8.7
70.02315	1.1
70.02676	1.0
70.06580	1.8
72.08152	52.3
73.08497	0.6
73.13312	0.5
77.28047	0.5
81.03411	1.2
82.03762	0.7
85.02908	1.4
86.09702	100.0
87.10033	2.0
89.13092	0.5
99.67120	0.6
104.41696	0.5
109.02879	0.8
110.06075	0.6
112.08699	0.6
121.02866	0.7
128.10677	0.9
131.04924	0.6
132.10231	2.3
137.05959	0.5
140.04684	0.8
142.03214	2.2
145.81740	0.7
147.04387	1.1
148.04771	0.7
159.08621	0.5
161.03038	0.9
163.03870	0.8
169.01358	2.0
180.02930	1.2
181.05011	3.6
181.06349	0.7
182.05322	5.6
185.16484	45.5
186.16858	0.9
191.07030	0.7
199.18114	1.2
208.02505	0.7
209.00813	0.9
213.13905	1.0
213.15961	19.0
214.16197	0.7
231.17036	5.7
238.02916	0.5
245.18550	1.3
255.06514	0.9
292.82077	0.5
300.08548	1.0
313.10626	2.3
316.37787	0.5
326.09549	0.9
327.04773	1.2
344.13306	1.2
344.17505	2.7
344.24899	0.7
345.05856	1.6
345.13464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	11.6
60.05650	10.6
63.86090	4.4
64.44371	5.2
69.03445	7.5
69.61465	17.6
70.06587	76.6
72.08156	100.0
72.08543	3.9
84.08133	43.0
84.18797	5.0
85.02862	9.1
86.09692	55.0
97.02903	6.2
98.23428	6.3
98.42487	5.6
98.97565	6.5
112.08691	17.2
115.08668	5.8
116.07078	6.8
116.13344	5.7
119.06081	12.6
120.08090	8.5
121.04017	21.0
122.07152	37.8
126.03707	7.2
127.22021	5.0
129.10274	26.6
132.10165	26.9
133.06050	16.4
139.01410	6.1
140.10747	5.9
147.11301	10.8
148.06340	12.1
149.07065	12.7
165.06609	48.2
171.14915	12.4
182.06848	5.7
183.03506	5.1
183.07646	28.8
185.16534	16.9
213.15956	9.2
216.98685	23.1
225.53287	5.3
234.99756	24.0
246.18001	6.2
345.04172	77.9
345.12747	44.1
345.22180	47.7
346.04291	8.8
364.05481	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	345.0961
Annotation	Trypacidin
Peak:m/z	Relative Intensity
52.23694	0.7
52.52433	0.8
53.00312	4.0
55.05470	0.8
55.52309	0.7
57.03442	1.1
57.07072	1.7
68.99780	0.8
69.03428	5.7
69.10091	5.9
70.06590	1.2
88.07627	2.3
93.07076	0.9
95.04944	0.9
104.99262	7.0
105.07032	0.9
108.02093	2.0
113.07591	1.6
114.07216	1.0
115.32311	0.8
125.02333	4.8
132.05725	1.1
133.06480	13.7
135.04404	9.4
135.05354	1.0
136.01585	1.3
138.10233	0.9
148.05211	1.1
148.98723	0.9
152.01120	0.9
153.01822	32.5
154.02434	0.9
166.99742	9.8
167.03416	3.0
168.35950	0.9
169.06471	4.3
171.02927	7.2
181.01328	3.2
185.00838	5.8
197.05965	3.0
199.02368	7.7
214.06245	1.4
221.04631	0.9
225.05380	1.1
242.05690	1.6
246.61984	0.8
253.04904	15.1
255.06754	0.8
256.07318	2.9
262.95795	1.0
262.98108	5.3
268.07367	3.7
270.05405	1.2
283.06021	1.4
284.06824	8.3
284.29541	1.1
285.07550	32.7
285.10837	1.7
286.07907	1.1
296.06711	2.1
299.09158	2.2
309.29550	1.6
312.06207	6.3
313.07043	100.0
314.07489	7.3
327.04721	1.3
327.08612	20.9
328.08942	1.2
330.07452	1.9
345.09641	20.1
345.13669	1.2
345.31635	4.3
346.10065	0.9
346.24005	0.9
346.33026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0969
Annotation	Eupatorin
Peak:m/z	Relative Intensity
50.69880	0.2
65.52543	0.1
68.99775	0.2
69.77232	0.4
69.77565	0.2
76.16106	0.2
79.05459	0.2
80.02612	0.2
89.30278	0.2
91.05453	0.2
91.11356	0.1
95.04921	0.1
104.23791	0.1
104.99257	0.2
108.02093	4.8
112.01577	0.4
112.71160	0.1
117.03366	0.2
119.04931	0.4
121.02848	0.2
121.06493	0.2
127.56631	0.2
133.02849	0.6
136.01559	3.4
139.00107	0.2
140.00972	0.6
147.04370	0.3
148.05177	6.7
149.05959	3.2
151.02815	0.2
151.03900	2.2
152.01018	0.2
153.01787	0.3
154.02596	2.6
157.06462	0.8
162.06728	1.0
163.07526	0.3
165.01845	0.2
165.05460	0.6
168.00531	3.0
168.05678	0.6
169.01311	6.1
185.05972	2.5
186.01575	1.3
197.05995	0.4
200.08284	0.3
211.07558	0.3
212.51413	0.2
213.05473	1.6
223.03864	0.2
225.05434	0.2
227.06976	0.4
228.07866	0.2
229.04990	0.3
231.06621	0.2
241.04950	2.6
256.07263	2.6
257.04431	0.2
259.06094	0.9
269.04425	7.0
270.04892	0.5
271.06119	0.2
284.06769	27.2
285.03931	0.5
285.07178	1.2
286.04666	1.4
287.05435	2.4
297.03940	1.8
298.04172	0.2
299.05554	0.3
299.08963	0.2
300.06293	0.7
301.06906	1.2
302.07840	0.9
312.06253	24.4
313.06595	1.5
313.10001	0.3
314.04218	1.6
315.04944	2.7
316.05362	0.3
329.06534	2.9
330.07309	38.9
331.07721	2.0
345.09659	100.0
346.10016	5.4
346.14218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0968
Annotation	Obtusin
Peak:m/z	Relative Intensity
51.02375	0.7
53.00307	1.6
54.09945	0.5
59.04994	1.0
60.74951	0.4
62.99050	0.4
67.01858	1.7
67.05486	0.8
68.99786	7.0
69.03414	0.6
71.01353	2.1
71.38635	0.5
72.08142	1.3
77.03909	0.8
79.01891	0.5
79.05499	0.9
81.03403	0.8
91.05453	2.1
95.01339	1.7
95.04929	0.9
99.00787	1.0
100.47872	0.5
102.46193	0.5
103.05464	31.6
104.05799	3.7
105.03409	0.8
105.06344	1.0
105.07027	13.4
107.08643	0.6
113.02362	10.8
117.07030	0.6
123.00813	2.8
125.09604	1.6
131.04924	100.0
132.05263	11.6
133.05579	0.6
135.00766	0.9
137.02327	1.0
139.00250	3.7
141.01826	1.9
141.06912	0.6
142.99800	0.5
145.06445	0.9
148.98741	0.7
153.06956	0.8
155.04865	1.4
157.01328	5.3
157.06551	1.1
159.02843	0.6
163.00273	10.2
165.01843	4.6
166.99759	8.5
173.05981	14.9
174.06291	1.2
177.01805	0.8
179.05315	0.5
181.01328	4.5
183.02876	1.4
183.04408	2.8
185.00861	4.3
187.22850	0.6
190.99742	12.1
193.01343	0.7
195.02885	1.9
197.04361	0.6
197.06029	1.0
199.02400	2.2
199.07512	1.3
200.07877	1.8
209.00798	14.4
211.07492	0.9
213.19522	0.8
217.03464	1.1
220.08362	1.1
223.02322	1.4
225.05522	2.1
227.01865	13.1
227.06952	0.6
239.07002	3.0
241.03358	1.4
243.06403	1.0
253.05022	1.9
259.04382	1.0
264.07373	1.9
266.08945	0.8
267.06583	2.3
269.08047	1.4
271.05896	2.4
281.07828	0.7
282.08435	1.1
285.07474	1.3
292.06906	1.0
295.05972	7.8
299.09073	0.7
313.07065	19.7
314.07489	1.0
317.06381	0.7
327.08252	0.7
328.12048	0.9
344.25357	0.9
345.06067	0.9
345.09848	2.9
345.17093	1.2
346.12863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0968
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03946	0.5
55.05500	1.2
65.03944	0.6
67.05512	1.7
69.03426	0.9
69.07052	1.1
79.05491	2.8
80.02649	0.4
81.03410	0.6
81.07047	6.9
83.04940	0.5
83.08618	0.6
91.05475	7.6
93.07037	2.9
94.57742	0.3
95.04958	1.4
95.08602	2.3
96.89826	0.3
97.02889	0.6
103.05453	1.2
105.04521	0.4
105.07024	15.1
107.04952	1.0
107.08585	3.1
108.02094	7.2
109.06516	0.8
109.10126	0.6
111.04433	0.6
115.05437	0.9
117.07001	3.1
119.04935	0.7
119.08574	14.5
121.02873	0.7
121.06514	0.8
121.10131	0.8
125.02353	2.0
128.06230	0.7
129.07007	1.2
130.07756	0.8
131.08566	4.3
133.02840	1.6
133.10133	5.2
135.04367	0.5
136.01543	3.7
137.05959	0.8
141.06953	0.8
142.07747	1.3
143.08559	2.2
145.06512	0.4
145.10112	9.3
147.04359	0.4
147.08022	0.6
147.11667	1.4
148.05188	10.1
148.06378	0.5
149.05977	6.8
150.06726	0.5
151.03902	4.5
152.01067	0.4
154.02602	3.9
155.08545	2.0
156.09283	1.0
157.06487	0.9
157.10106	3.4
157.56633	0.4
158.10881	0.8
159.08046	0.5
159.11687	12.2
161.05945	0.4
161.09584	0.5
163.03909	0.5
163.07504	0.3
167.07062	0.3
167.08549	0.4
168.05676	0.5
169.10083	2.0
170.10864	0.7
171.07996	0.5
171.11678	2.3
172.12465	0.9
173.09590	1.1
173.13280	2.8
174.14015	2.3
175.07591	0.4
175.14850	0.9
181.10138	0.8
183.11713	2.3
185.05943	2.8
185.09634	0.6
185.13263	1.5
187.07411	0.4
187.11198	0.6
187.14796	11.4
188.15472	0.8
189.09126	0.3
193.10075	0.6
195.11620	0.5
196.05179	0.4
196.12376	0.4
197.05997	0.5
197.09624	0.7
197.13271	1.3
201.09044	1.6
201.12756	1.0
202.13470	1.6
203.10597	0.8
207.11642	0.4
209.13300	0.6
210.13910	0.4
211.07541	0.5
211.11218	0.7
211.14824	1.6
213.05466	1.9
213.09114	0.5
215.07056	0.8
215.10664	0.9
219.10158	0.7
221.13271	0.4
225.03902	2.4
225.05785	0.4
225.09059	0.4
225.16324	3.8
227.06943	0.9
227.17897	1.4
229.12190	0.5
231.10176	0.5
235.14864	0.6
241.05000	2.3
243.10257	0.6
249.11182	0.7
253.15898	3.5
256.07285	3.2
258.05463	0.6
259.06052	1.1
263.14429	0.7
269.04425	7.8
271.16913	7.9
281.15387	4.1
284.06772	37.4
285.04156	0.7
285.07129	2.1
286.04541	1.6
287.05478	3.2
291.13763	0.4
297.03854	1.9
299.09259	0.5
299.16409	4.8
300.06210	1.0
301.07129	2.0
302.07730	0.9
312.06265	30.5
313.06720	1.7
313.10034	0.4
314.04129	0.9
315.04938	2.5
317.17453	2.9
327.15900	1.1
329.06537	3.0
330.07327	21.2
331.07605	0.9
345.09671	100.0
345.16846	7.1
346.10010	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	345.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	0.3
69.63865	1.4
79.05491	0.4
80.02618	0.3
81.07056	0.6
93.06991	0.5
93.82649	0.4
95.04937	0.3
97.06496	0.3
99.36415	0.3
104.99255	0.7
108.02083	6.0
113.00018	0.4
121.02840	0.4
121.10088	0.4
126.18983	0.3
126.95112	0.3
133.02829	0.9
135.04440	0.5
136.01544	2.8
137.05978	0.7
139.00378	0.3
139.01559	0.7
142.23224	0.3
148.05177	7.9
149.05980	3.9
150.06729	1.1
151.03883	2.5
152.01085	0.5
153.01747	0.3
154.02606	3.1
155.26447	0.4
157.06505	1.0
157.10101	0.3
168.05699	0.5
169.01221	0.3
181.01263	0.5
185.05991	2.8
197.06093	0.5
200.08315	0.3
204.81630	0.3
213.05496	1.8
218.99887	0.3
227.07057	0.5
241.04951	2.6
256.07260	2.3
258.05237	0.5
259.05988	1.4
262.98105	0.7
269.04401	7.1
270.05164	0.4
284.06772	29.1
285.04117	0.5
285.07159	1.2
286.04724	3.4
287.05402	2.8
297.03958	2.9
298.04541	0.6
300.06284	1.0
301.07062	5.0
302.07794	1.9
312.06259	23.7
313.06726	2.4
314.04144	1.9
315.04947	1.9
316.05231	0.6
329.06549	6.9
330.07315	24.9
331.07593	1.0
345.09668	100.0
346.10007	4.9
346.19772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0968
Annotation	Araneol
Peak:m/z	Relative Intensity
55.01859	0.2
55.05502	0.2
57.03429	0.2
65.03919	0.1
67.01859	1.0
67.05487	0.5
68.99811	0.4
69.03425	2.2
70.06580	0.3
72.08154	1.1
78.04677	0.1
79.05499	0.8
81.03398	0.3
81.07037	0.5
81.42805	0.1
83.01342	0.2
83.04945	0.3
85.02897	0.4
86.57370	0.1
87.75146	0.1
88.07620	0.1
89.10774	0.2
90.05544	0.2
91.05464	0.2
93.07038	0.3
95.01328	0.4
95.04941	0.4
95.08592	0.2
95.11423	0.1
97.02883	0.5
98.02432	0.1
100.07600	0.4
103.05463	0.3
105.06993	0.1
107.01289	0.6
107.04949	2.3
107.08567	0.6
109.02860	0.2
110.06006	0.2
111.04403	0.1
121.02821	0.1
123.00768	0.4
124.07574	0.1
124.11226	0.2
125.02339	2.6
125.09615	1.4
126.09991	0.2
131.04898	0.7
132.05199	0.1
133.02841	0.1
134.03587	0.5
135.00764	0.3
135.04404	4.2
137.02328	3.2
137.06015	0.1
143.04980	0.1
147.04439	0.2
147.96196	0.1
150.03111	0.6
151.00255	0.3
151.03928	0.2
153.01810	24.1
154.02126	0.6
157.01369	0.1
161.02303	1.1
163.04105	0.1
163.07544	0.1
165.01868	0.2
165.05444	0.1
165.07024	0.1
166.02652	0.2
166.08719	0.2
167.03358	0.2
168.04233	0.2
169.01340	0.6
169.06516	0.1
170.02016	0.1
171.02888	2.6
171.04301	0.2
178.02609	0.9
178.99788	0.2
179.03371	0.4
181.01299	10.1
182.01694	0.3
183.02872	0.1
184.09708	0.2
185.05922	0.2
187.03854	0.2
189.05438	0.1
191.03522	0.2
191.07071	0.1
195.02888	0.4
195.07927	0.2
196.03627	0.9
196.16960	0.3
197.00804	0.2
197.04324	0.2
197.05969	0.2
199.02357	22.8
200.02669	0.7
203.06940	0.2
206.04678	0.1
209.09602	0.1
210.06543	0.1
211.05995	3.1
211.07500	0.1
213.05478	0.5
213.19620	0.6
214.04512	0.1
214.19890	0.2
216.04193	0.2
217.04887	0.2
219.02829	0.2
225.05814	0.1
227.03381	0.3
228.04216	0.1
229.08586	0.2
231.06480	0.3
235.02271	0.3
241.04918	1.7
241.08644	0.1
243.06621	0.2
244.03659	0.4
245.04547	0.4
245.08075	0.2
247.02415	0.4
255.02821	0.2
255.06450	0.2
257.04477	0.5
259.06009	1.3
263.09055	0.1
263.14255	0.1
265.03351	0.1
267.10059	0.1
269.04419	4.0
269.11621	0.2
270.04620	0.2
272.03177	0.3
277.07126	0.4
279.13632	0.1
281.04678	0.2
281.08139	0.1
281.15347	0.2
282.04657	0.8
284.06726	1.3
285.04083	0.5
285.07071	0.2
286.04742	1.3
287.05466	11.7
288.05798	0.5
297.03943	0.4
297.14774	1.1
299.05405	0.4
299.08932	0.1
300.06207	0.2
301.06995	1.9
309.02457	0.1
309.14890	0.2
310.04208	1.6
311.05350	0.2
312.06238	2.8
313.03375	0.3
313.06815	0.5
313.10757	0.5
314.04178	0.7
314.07593	0.2
315.04944	81.5
316.05298	4.1
327.03876	0.1
327.15924	0.2
329.06537	1.7
330.07303	9.5
331.07526	0.6
344.25485	0.6
345.09647	100.0
346.09964	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	345.0967
Annotation	Pseudobruceol I
Peak:m/z	Relative Intensity
51.02380	2.7
53.03950	5.3
55.01864	3.7
55.05518	1.3
57.03427	3.8
59.37101	1.0
65.03946	2.3
67.01864	1.1
67.05489	3.2
68.99783	2.5
69.32298	2.1
69.32715	3.2
70.06584	1.3
71.04971	0.9
72.08149	7.2
79.01823	1.2
79.05474	5.2
81.03411	16.1
81.07054	2.7
83.01348	1.2
83.04967	2.7
90.05563	1.3
91.05470	3.2
93.03390	2.3
95.01276	1.1
95.04961	3.1
98.23478	1.8
99.04448	11.8
103.04757	1.8
103.05456	35.1
105.03384	22.4
105.04466	1.3
105.07023	64.4
106.03716	1.1
106.07344	1.1
107.01326	2.0
107.08591	3.7
109.02857	4.2
111.04444	2.0
121.02833	6.7
121.06532	1.2
123.00774	1.7
123.04427	1.2
124.11155	1.1
125.02357	4.5
125.09640	7.8
127.03912	5.2
131.04918	100.0
132.05263	3.6
133.02843	4.9
137.05980	1.7
144.71852	0.9
149.02339	12.8
151.03900	5.0
153.01852	3.3
155.03400	3.6
161.02368	2.8
163.00278	1.6
165.01859	1.1
165.06952	2.0
167.03357	12.8
169.01263	1.4
171.02882	1.1
173.05974	2.2
175.46155	0.9
177.01811	37.3
177.05453	1.2
178.02127	1.5
179.08614	1.1
179.93436	1.1
181.01340	3.6
181.06541	1.1
181.35397	0.9
183.07997	1.2
184.09697	1.1
191.08531	1.5
195.02872	83.2
196.03223	2.6
205.01360	3.6
209.00787	3.1
213.03952	3.9
213.19670	3.7
223.02353	28.8
231.04897	1.3
235.07547	2.2
241.03392	21.5
245.08154	2.3
253.08481	2.4
259.04425	1.3
263.06912	1.3
263.09363	1.7
267.06464	1.8
281.08163	4.5
281.11343	1.3
284.06595	1.4
285.07635	3.2
286.04645	2.6
287.05350	1.4
295.06039	1.3
299.09125	5.4
301.06821	4.7
309.07614	5.4
313.10611	2.3
314.04114	1.9
315.05093	1.5
317.10065	1.5
327.08566	11.4
327.15918	2.0
329.06415	6.1
330.07199	7.4
344.25378	2.7
345.09695	34.5
345.16772	11.0
345.25644	1.6
346.10086	2.0
356.05957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0969
Annotation	Tanetin
Peak:m/z	Relative Intensity
51.11712	0.8
55.01862	1.6
55.05508	1.8
57.03427	2.5
58.49277	0.8
59.04976	0.9
59.59361	0.8
65.03934	3.0
67.05500	6.8
68.99777	5.6
69.03444	1.0
69.07057	1.4
69.87981	2.8
70.06570	1.6
72.04507	1.8
72.08151	15.0
73.08475	1.8
75.02357	5.3
79.05487	6.3
80.05848	0.9
81.03415	2.8
81.07047	3.0
83.01315	1.9
83.04974	2.9
85.02894	1.3
86.56700	0.8
89.10809	2.1
90.05544	3.3
91.01842	1.4
91.05474	3.3
93.03399	2.7
95.01325	19.9
95.04941	2.0
95.46533	0.8
98.27875	0.8
99.00804	1.2
99.04462	2.3
101.02371	13.4
103.01827	6.7
103.05466	32.0
105.03372	4.7
105.07013	2.5
107.01338	1.7
107.08563	4.6
109.02873	1.5
111.00817	3.6
111.04433	5.9
113.02353	3.1
119.01304	13.6
119.03409	2.7
121.02863	9.1
121.03983	2.8
121.06468	0.8
124.07606	1.7
124.11203	4.1
125.05957	1.0
125.09621	19.0
126.09981	2.1
127.03903	5.4
129.03360	2.1
131.04921	86.4
132.05246	2.4
135.00757	1.7
136.00250	0.8
137.02321	7.0
139.00267	3.1
139.40341	0.8
141.01830	6.5
142.56381	0.8
143.03394	17.9
147.00768	2.2
151.03908	3.3
153.01805	3.9
155.03368	4.3
155.04726	1.1
157.01268	1.2
161.05956	3.3
163.00256	3.2
163.03813	0.9
165.01831	42.3
166.08649	1.2
169.04924	1.9
173.04451	1.5
173.06027	2.3
174.47105	0.9
181.01315	6.1
183.02858	0.9
184.09683	2.9
185.00797	10.5
190.99754	2.9
195.02858	3.9
195.08025	1.2
196.16966	3.7
197.17372	1.2
199.02338	2.5
209.00809	23.8
213.03954	6.7
213.19603	7.6
213.27725	0.8
214.19952	2.5
217.05003	1.1
223.07648	1.2
226.74217	0.9
231.04970	2.6
238.06540	1.0
241.03413	100.0
242.03761	3.7
247.05975	1.4
251.07088	1.7
257.04471	1.5
267.06717	1.0
272.03180	0.9
273.18069	1.4
285.07263	0.9
299.09164	2.5
299.16156	0.9
303.04984	1.3
313.07294	1.0
313.10718	3.0
317.10126	2.4
344.25446	6.2
345.09622	17.2
345.16782	2.2
345.25610	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	345.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47532	5.5
70.93353	10.4
75.70646	6.4
79.05484	10.1
81.07046	20.6
91.05468	14.1
93.07030	5.1
95.08619	11.5
95.92709	5.5
97.02895	7.5
105.07057	17.6
107.08621	7.4
117.04853	6.0
117.07027	6.5
119.08578	21.7
131.08534	6.8
137.05965	9.7
143.08585	6.8
145.10120	12.6
151.07555	8.2
157.10172	8.9
159.11684	11.6
169.01300	14.4
177.09134	13.6
184.85829	6.6
187.14789	11.0
197.00864	19.4
206.99117	8.6
225.00249	35.7
225.03836	10.1
226.06094	6.1
263.08951	6.4
271.16998	11.6
281.15475	7.6
299.16257	7.0
309.14978	10.5
317.17523	16.0
325.12982	6.1
327.17355	41.9
345.06128	7.8
345.09344	6.8
345.13095	100.0
345.17935	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.59472	0.7
55.05508	19.9
58.99567	6.6
60.31460	0.7
63.30977	0.8
67.05499	2.9
68.05034	2.3
69.03420	1.7
69.07065	5.0
69.77554	2.6
72.08160	1.4
72.82874	0.8
75.77975	0.8
76.04000	1.4
79.05481	1.3
79.88073	0.8
80.05011	18.0
81.07050	1.9
83.08606	14.3
84.04498	4.2
86.06061	1.4
86.09701	1.5
86.88025	0.8
86.99048	3.9
88.45391	0.8
89.03928	1.5
93.03402	1.0
94.06561	12.3
95.04967	1.9
96.04498	2.0
96.38918	0.8
104.53523	0.8
105.07046	1.4
108.04487	4.0
108.08129	2.1
110.06043	2.4
112.07619	1.5
114.03745	15.3
116.01685	15.7
116.04974	7.1
122.06024	21.7
123.06370	1.1
129.07341	1.1
136.03944	2.7
139.05785	1.6
140.07050	31.7
141.07349	0.8
142.03209	100.0
143.03529	2.3
144.01132	4.8
144.04428	19.2
146.06017	7.8
159.08366	13.7
162.02182	16.0
162.05479	7.6
163.03944	0.9
167.05241	1.1
170.02695	35.3
172.03925	62.9
173.04245	2.1
174.05479	2.4
178.08702	0.9
190.05003	2.0
199.05322	4.1
204.06544	98.6
205.06944	4.6
206.08113	13.1
207.08328	0.9
211.07161	1.1
224.11354	0.8
227.04803	4.6
235.72035	0.9
242.12080	3.1
245.05904	14.3
245.13959	0.9
246.06140	1.0
262.11172	5.1
270.11688	1.7
281.15286	2.0
297.14749	3.5
300.12173	2.2
313.11813	1.5
315.15973	1.6
327.13458	2.1
327.17215	1.8
331.12936	1.6
345.01144	10.0
345.09756	1.0
345.14539	3.5
345.18390	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05507	18.3
57.54240	0.4
58.99574	6.1
59.18333	0.5
61.01144	0.9
68.05009	1.5
69.03400	0.5
69.07030	0.5
69.59095	1.3
69.59485	0.9
73.01122	0.7
76.03996	1.1
80.05009	15.6
81.07048	1.2
83.08616	13.9
84.04503	4.1
86.00612	0.5
86.06045	1.2
86.99056	3.9
87.02668	0.5
88.02191	1.0
96.04476	1.1
98.06026	0.6
99.02666	1.0
108.04499	4.1
114.03746	15.5
115.05730	0.8
116.01669	16.7
125.00591	0.4
126.05509	0.7
129.07329	0.8
136.03917	3.9
139.05750	1.5
141.07326	0.9
142.03206	100.0
143.03502	1.9
144.01155	5.2
144.04852	0.6
159.07317	0.2
159.08369	14.6
162.02188	17.7
170.02692	34.7
171.03035	0.8
196.11180	0.5
199.05344	4.9
211.07147	1.3
224.10921	0.5
227.04840	4.9
242.12067	2.5
244.10455	0.4
245.05891	14.6
246.06093	1.0
262.11063	4.9
270.11563	1.4
327.13580	0.9
345.14578	1.2
345.18274	0.6
368.46173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27150	0.5
54.85659	0.6
59.66387	0.5
69.33324	1.0
69.33729	1.8
70.06580	3.9
72.08141	2.5
84.08133	2.7
85.02892	0.7
86.09701	1.1
88.43826	0.5
104.99283	1.3
112.03965	4.3
121.02841	0.8
121.03939	0.9
122.07159	0.8
129.10260	1.7
134.39258	0.5
137.05965	1.6
138.05501	4.5
143.11830	0.6
147.04378	1.0
161.12935	0.7
161.63878	0.6
163.06020	1.1
177.30551	0.6
183.11307	1.5
184.06044	7.7
255.21890	0.5
262.98218	1.1
274.18945	0.6
287.10971	6.9
315.14258	0.9
345.06116	2.1
345.15182	100.0
345.22244	3.0
346.15448	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Chushizisin A
Peak:m/z	Relative Intensity
55.01873	2.7
55.05493	2.5
65.03967	2.1
67.05502	6.4
68.99773	2.6
69.03420	5.8
71.05020	1.9
72.08175	4.0
73.29631	2.5
79.05502	5.4
81.03428	5.2
81.07066	5.5
85.02932	4.2
91.05468	14.9
93.07041	22.8
95.04971	6.3
95.08591	4.2
99.21212	2.1
103.05481	9.5
105.07040	9.5
107.04955	3.3
107.08618	6.9
111.08084	4.8
113.02377	3.7
119.08549	4.8
123.00766	2.2
123.04443	2.2
125.09642	4.6
127.04102	1.9
128.06264	4.7
129.07040	3.7
131.04913	24.3
132.05223	10.5
133.06532	2.8
133.10127	2.2
135.04442	3.9
137.06009	2.4
138.01866	3.0
141.07021	3.4
143.08594	4.8
145.06503	3.8
147.04439	2.4
147.08058	4.5
153.07027	3.1
154.07814	2.4
155.08633	3.9
157.06438	2.3
159.08133	4.3
161.06009	3.7
163.07520	14.9
165.05640	2.0
165.07030	6.6
167.08559	3.4
169.01318	85.7
169.10089	2.2
171.08101	4.6
173.05983	6.3
175.07495	12.1
177.05441	3.9
177.09064	3.0
178.07675	3.0
179.08557	6.1
180.09319	1.9
181.04956	3.7
181.06422	4.5
181.10121	3.6
182.04485	3.8
183.08035	3.1
187.07489	11.3
189.05486	7.0
189.09125	3.6
191.06987	3.4
191.08589	6.2
192.09218	2.9
193.10187	6.9
195.08102	6.2
196.08800	2.2
197.09714	3.8
199.07657	5.0
201.05461	3.1
201.09143	6.4
203.06995	18.7
203.08530	3.5
204.09317	2.5
205.10208	4.8
206.10907	5.1
207.08040	5.0
207.11745	3.8
208.08839	3.4
209.09602	6.3
211.07579	6.2
213.09189	5.8
215.06932	4.9
217.08530	13.2
218.10890	2.5
219.08081	5.4
220.08891	3.9
220.12473	4.4
221.09604	8.4
221.13168	3.6
222.10324	6.0
223.07625	4.0
223.11102	4.3
225.09134	8.5
227.07011	5.1
227.10638	3.1
228.07524	2.4
229.08562	30.4
230.10893	3.6
233.09694	6.2
234.10478	5.0
235.07518	4.2
235.11282	6.4
235.14848	6.4
236.08136	3.5
236.11981	3.6
237.09109	6.9
237.12744	2.8
238.09839	7.9
239.06967	3.3
239.10744	7.7
240.07671	2.6
240.11357	5.0
241.08688	4.5
241.12112	3.4
242.06659	2.9
243.06491	5.0
243.10178	2.7
245.08104	56.1
247.11397	3.8
248.12015	7.4
249.09055	4.1
249.12785	7.1
250.09959	5.2
251.10637	9.7
251.14331	4.7
252.11508	4.5
253.08710	9.5
253.12241	9.0
254.09431	7.7
255.10201	7.7
256.10883	2.8
261.07361	10.4
261.12869	3.1
263.09058	53.5
263.14093	12.8
264.11487	4.5
265.12305	10.5
266.09250	4.4
266.13150	2.3
267.10272	6.7
267.13852	15.9
268.10898	6.4
269.11749	25.7
276.11517	3.2
279.10968	3.4
279.13751	19.9
281.11761	8.5
281.15369	39.4
282.12552	2.4
282.15726	2.4
282.20261	2.5
283.13275	3.9
285.11450	2.3
285.14871	3.9
291.13785	13.2
294.12589	5.3
297.14828	100.0
298.15179	5.8
299.09280	3.2
299.13129	4.0
299.16348	13.1
309.14822	51.2
310.07596	2.5
310.15067	5.5
313.10861	2.9
315.15848	27.3
317.17441	9.3
327.10193	2.5
327.15881	38.0
345.17029	24.7
346.12936	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	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.4
55.05495	9.8
57.03430	4.0
67.05505	15.6
69.03429	25.7
69.07059	6.5
71.40987	3.8
78.24395	3.2
79.05500	24.1
81.03415	6.3
81.07049	50.8
83.08624	4.0
91.05468	35.8
93.07043	16.1
95.04968	6.4
95.08611	20.3
97.02886	12.1
97.06511	4.0
103.05442	4.6
104.99715	3.4
105.04583	3.4
105.07029	89.3
107.04945	7.5
107.08583	19.1
109.06470	4.3
109.10191	3.7
115.05457	3.7
117.07002	19.4
119.08573	100.0
121.06470	4.8
121.10116	5.9
123.04411	3.6
125.02336	16.1
127.03902	3.9
128.06233	6.4
129.07022	10.3
131.04874	6.3
131.08563	35.1
133.06503	9.5
133.10165	28.9
135.08092	5.6
136.26755	3.3
137.05968	14.1
142.03232	9.0
142.07764	11.1
143.08527	16.9
144.02812	5.5
145.10117	56.4
147.08043	6.8
147.11667	10.1
151.03906	4.9
155.08571	8.4
156.09372	7.1
157.10121	29.5
159.07994	5.0
159.11687	63.1
163.07535	7.2
165.06987	4.9
169.10107	13.5
170.10869	5.2
171.08043	5.7
171.11725	17.4
172.12436	8.7
173.09598	8.5
173.13226	17.1
174.14052	11.1
175.14824	4.0
177.05527	4.5
177.09142	4.9
179.08533	4.5
183.11681	13.7
185.09631	7.4
185.13251	9.7
187.07382	3.9
187.11232	5.5
187.14818	75.9
188.15585	3.3
192.09308	3.5
193.10127	7.8
195.11592	5.3
197.00809	14.8
197.13286	10.5
201.09058	10.2
202.13513	15.3
203.10703	6.3
206.10977	4.2
209.13272	4.2
211.07576	4.6
211.14751	13.0
213.09084	5.0
215.10646	6.7
215.14336	6.7
219.10133	4.5
220.12440	3.6
221.13271	5.5
225.00284	21.6
225.09113	3.8
225.16382	26.4
227.17982	9.2
235.14850	9.6
239.10539	4.6
239.14284	4.2
243.10075	7.3
245.08118	9.6
249.11020	4.0
251.10541	4.4
253.15825	23.6
263.09085	9.4
263.14365	4.0
264.28290	3.8
271.16922	54.9
281.15268	29.0
299.16446	39.6
309.14838	11.7
317.17386	29.5
327.04956	7.0
327.16202	15.0
345.13068	12.2
345.17078	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.05513	5.2
65.03941	2.3
67.05491	7.5
69.03411	4.9
69.07054	6.0
69.49966	5.1
77.03912	2.7
79.05481	16.4
81.07052	48.2
83.04939	1.8
91.05481	44.3
93.07028	15.6
95.04948	6.5
95.08602	17.0
97.02876	4.9
98.22752	3.8
99.02534	1.9
103.05468	3.2
105.07023	100.0
107.04932	6.7
107.08582	17.9
109.06473	4.2
109.10133	2.2
115.05434	1.8
117.07019	16.8
119.08571	95.8
120.08878	2.8
121.06523	2.3
121.10136	7.0
123.08098	3.0
125.02325	10.6
126.36341	1.6
128.06207	4.5
129.06972	5.2
130.07864	1.8
131.08556	32.6
132.09335	2.2
133.10130	24.8
135.04433	2.4
135.08047	3.5
141.06998	2.6
142.07777	6.2
143.08557	15.7
144.09334	6.1
145.06415	3.1
145.10121	48.8
146.10818	2.6
147.08032	5.0
147.11665	9.2
149.06010	1.8
151.07501	2.0
155.08537	12.0
156.09332	7.2
157.10118	26.3
158.10881	4.4
159.11685	74.0
160.12059	2.7
161.13242	2.7
163.07568	1.9
167.08533	2.3
168.09344	3.4
169.10181	12.6
170.10922	3.9
171.08086	2.6
171.11662	19.8
172.08762	2.5
172.12424	8.3
173.09616	3.3
173.13272	21.1
174.14050	14.9
175.07484	3.5
175.14787	9.6
177.09151	2.4
179.08580	2.7
181.10168	4.1
183.11710	16.3
185.09624	3.3
185.13255	8.4
187.07527	3.0
187.11176	5.6
187.14809	86.5
188.15547	6.4
189.09052	4.4
191.10620	3.9
193.10129	3.9
195.11710	4.4
196.12418	4.2
197.09525	3.8
197.13264	7.4
199.07452	2.6
199.14726	2.8
199.91510	1.9
201.09048	6.5
201.12700	2.7
202.13519	13.9
203.10658	5.3
206.10985	2.1
207.11618	1.9
209.13171	3.1
210.14012	3.2
211.14818	15.3
213.09088	1.9
215.10670	6.5
219.10121	3.6
220.12386	2.6
221.13223	2.2
223.11186	2.3
225.09073	3.3
225.16354	30.8
225.18330	2.7
227.17879	12.8
229.08582	2.5
229.12210	2.8
231.10161	6.0
235.14839	6.8
239.10686	2.2
239.14273	3.0
239.72205	2.1
243.10139	4.1
249.11299	7.4
251.10765	2.1
253.15851	26.8
257.15271	2.1
263.14413	2.6
271.16904	62.4
272.17255	4.4
281.15329	24.6
285.96341	1.9
299.16394	33.1
309.14795	2.2
317.17453	24.5
327.16037	3.6
345.10233	2.5
345.16949	53.3
346.17273	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	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.4
55.05495	9.8
57.03430	4.0
67.05505	15.6
69.03429	25.7
69.07059	6.5
71.40987	3.8
78.24395	3.2
79.05500	24.1
81.03415	6.3
81.07049	50.8
83.08624	4.0
91.05468	35.8
93.07043	16.1
95.04968	6.4
95.08611	20.3
97.02886	12.1
97.06511	4.0
103.05442	4.6
104.99715	3.4
105.04583	3.4
105.07029	89.3
107.04945	7.5
107.08583	19.1
109.06470	4.3
109.10191	3.7
115.05457	3.7
117.07002	19.4
119.08573	100.0
121.06470	4.8
121.10116	5.9
123.04411	3.6
125.02336	16.1
127.03902	3.9
128.06233	6.4
129.07022	10.3
131.04874	6.3
131.08563	35.1
133.06503	9.5
133.10165	28.9
135.08092	5.6
136.26755	3.3
137.05968	14.1
142.03232	9.0
142.07764	11.1
143.08527	16.9
144.02812	5.5
145.10117	56.4
147.08043	6.8
147.11667	10.1
151.03906	4.9
155.08571	8.4
156.09372	7.1
157.10121	29.5
159.07994	5.0
159.11687	63.1
163.07535	7.2
165.06987	4.9
169.10107	13.5
170.10869	5.2
171.08043	5.7
171.11725	17.4
172.12436	8.7
173.09598	8.5
173.13226	17.1
174.14052	11.1
175.14824	4.0
177.05527	4.5
177.09142	4.9
179.08533	4.5
183.11681	13.7
185.09631	7.4
185.13251	9.7
187.07382	3.9
187.11232	5.5
187.14818	75.9
188.15585	3.3
192.09308	3.5
193.10127	7.8
195.11592	5.3
197.00809	14.8
197.13286	10.5
201.09058	10.2
202.13513	15.3
203.10703	6.3
206.10977	4.2
209.13272	4.2
211.07576	4.6
211.14751	13.0
213.09084	5.0
215.10646	6.7
215.14336	6.7
219.10133	4.5
220.12440	3.6
221.13271	5.5
225.00284	21.6
225.09113	3.8
225.16382	26.4
227.17982	9.2
235.14850	9.6
239.10539	4.6
239.14284	4.2
243.10075	7.3
245.08118	9.6
249.11020	4.0
251.10541	4.4
253.15825	23.6
263.09085	9.4
263.14365	4.0
264.28290	3.8
271.16922	54.9
281.15268	29.0
299.16446	39.6
309.14838	11.7
317.17386	29.5
327.04956	7.0
327.16202	15.0
345.13068	12.2
345.17078	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48720	1.0
55.05526	0.9
55.90113	0.8
56.96555	2.4
60.05649	3.0
69.03400	1.0
69.07059	2.9
70.06586	16.6
70.60700	0.9
71.04990	1.1
72.08151	7.4
81.04546	2.0
82.99854	0.9
84.08134	3.8
84.96004	0.8
85.02895	1.2
85.06419	1.2
86.07191	4.0
86.09699	72.5
87.10030	2.4
90.03793	2.7
97.06526	6.2
98.97557	2.3
100.02444	1.4
101.00867	9.7
102.01012	1.5
104.10723	4.3
105.11077	2.3
112.08728	4.3
116.07066	1.7
117.04879	1.2
118.03510	3.8
119.01916	34.0
120.02045	3.8
121.01678	2.4
122.07161	12.2
126.03748	4.1
129.10274	2.0
130.03500	2.7
131.01900	1.3
131.03542	0.9
132.10246	1.6
137.02965	7.9
142.07152	3.6
143.11847	1.2
144.05093	1.0
144.08694	4.2
145.03482	1.0
147.11247	1.6
152.05692	2.2
154.03468	1.0
154.16841	0.9
155.05479	1.6
156.03775	1.1
157.03929	1.1
158.03592	2.3
159.04932	1.3
160.08202	5.3
162.09755	4.0
166.04967	2.6
168.08688	2.6
169.05208	1.0
170.06142	1.0
171.15031	1.4
172.04561	1.5
172.08168	15.3
173.03226	1.1
173.06641	1.3
175.11909	2.8
183.07706	1.2
184.06058	0.9
186.09740	30.9
187.09894	5.8
188.09450	1.4
189.04604	1.5
190.09254	3.3
191.07600	1.8
196.08205	1.6
197.06587	2.0
198.06270	1.2
204.10762	9.6
205.11002	2.0
207.05751	1.5
208.10330	2.8
211.15523	1.0
214.07375	1.5
214.09218	42.7
215.07549	1.8
215.09489	7.5
216.09061	1.4
219.02005	1.2
224.01395	1.1
225.17172	1.3
231.05714	1.2
232.05772	4.1
232.10280	100.0
232.96370	1.9
233.05521	5.4
233.08298	1.6
233.10483	17.7
234.10098	3.2
239.16010	2.5
240.10867	1.1
240.14459	1.2
243.02087	1.2
244.06709	1.2
255.11833	1.5
257.07260	1.0
257.17017	2.9
258.15445	1.4
260.06097	1.3
267.15530	2.1
273.03470	0.8
275.18143	4.0
285.16547	17.9
288.05640	1.0
303.08423	2.9
303.13373	8.3
303.17593	58.7
304.12958	2.5
304.17816	5.3
319.09592	1.2
321.18674	4.6
327.06696	1.5
345.08060	3.7
345.18842	1.1
345.22412	12.7
346.07770	1.6
363.08856	3.8
364.08688	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	345.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
57.07074	100.0
57.59858	1.3
68.51292	1.3
69.57748	2.3
69.58147	2.9
70.03282	1.2
77.26974	1.5
77.29581	1.3
86.96973	1.2
100.07613	12.1
144.55528	1.5
156.13826	71.1
157.14159	2.8
172.11559	2.5
189.72391	1.7
284.06784	3.0
297.17960	1.3
312.06342	1.6
345.09644	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	346.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05320	1.8
51.61747	1.4
55.01864	2.0
55.05500	12.3
57.03431	4.6
58.06596	2.6
59.04990	2.0
64.63340	1.5
65.03935	2.0
67.05506	18.4
68.05836	2.8
68.99786	2.7
69.03416	6.5
69.07043	2.4
70.06593	10.1
70.60758	2.7
70.61084	2.2
71.04959	3.1
71.06936	2.7
72.08145	32.2
73.08478	6.4
76.07632	3.3
77.03935	3.1
79.05491	16.2
81.03411	7.6
81.07040	5.6
82.06574	3.3
82.07366	2.1
83.04974	18.4
84.08138	4.0
85.02901	4.0
86.06087	1.7
88.39891	1.6
90.05567	3.4
90.09193	2.8
91.05468	10.5
93.03410	2.4
93.07052	2.3
95.04967	16.7
95.08594	9.1
96.04504	3.3
96.08929	4.1
97.02885	5.6
98.02403	2.6
98.09713	1.8
100.07622	23.9
101.07367	1.8
101.07942	9.8
103.05464	22.3
105.03376	6.0
105.07027	2.9
107.04955	37.0
107.08602	4.1
108.08933	3.9
109.02870	5.5
110.04893	1.7
110.06035	38.3
110.09673	4.4
111.04433	11.7
111.09985	2.8
112.03968	3.2
119.04929	2.5
121.02866	29.8
123.04449	2.3
123.08069	1.9
124.11195	3.1
125.09615	27.0
125.11568	2.6
126.09952	12.4
128.10707	1.8
131.04924	67.1
131.08601	2.0
133.02853	19.9
133.48247	1.9
135.04430	6.1
137.02316	6.2
138.05499	18.3
141.09048	1.6
142.08624	2.8
142.12236	1.8
147.04402	8.5
149.05986	15.9
150.05479	2.8
151.03914	16.6
160.04030	2.0
161.02310	17.3
163.03905	3.0
164.03433	3.9
165.01814	4.6
166.05046	3.0
167.08826	1.9
170.11871	2.2
173.06027	3.2
177.05489	2.0
178.04971	20.7
179.03407	26.6
184.09708	2.6
184.13405	2.0
187.14426	2.3
189.01834	42.3
195.07945	1.7
196.17059	3.0
197.17360	3.0
204.17023	2.9
205.17442	4.1
206.04477	62.7
206.17546	1.9
207.02893	8.9
209.09709	2.1
213.17056	1.9
213.19592	6.9
214.14398	4.6
214.18071	4.1
214.19955	2.4
215.14705	2.3
215.18294	2.7
223.07581	2.4
224.05595	12.4
225.03925	6.4
228.16016	3.9
229.16367	2.1
229.19098	2.7
237.09068	5.8
242.06596	2.5
243.04984	9.2
265.08472	9.1
273.60953	1.9
282.11453	2.4
283.09341	2.7
293.08084	30.5
294.08325	2.2
310.10715	100.0
311.11246	8.2
328.25891	2.4
329.10068	2.9
345.25778	9.2
346.26382	14.3
347.18597	2.1
349.41504	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	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01866	2.3
57.03421	6.8
61.02924	8.6
67.05476	1.5
69.03425	20.4
69.07059	3.3
70.06571	4.5
71.04989	3.3
72.08153	12.5
73.02895	3.5
79.05479	3.4
81.03424	7.3
85.02901	100.0
86.09700	35.5
87.04457	2.1
91.03939	5.9
91.05475	3.0
97.02889	26.8
99.04426	4.2
103.05455	9.5
109.02874	8.1
119.04922	5.0
121.02866	2.0
121.06500	82.2
122.06832	2.1
124.07544	1.4
127.03904	23.5
129.10161	2.1
131.04947	1.8
137.02312	4.0
139.07555	2.4
145.04953	42.5
146.38210	1.5
147.04417	15.3
149.05975	5.2
163.05977	7.7
167.07054	10.1
199.18031	4.5
229.11879	2.8
233.11264	1.5
242.48801	1.6
257.08038	2.5
267.06320	1.8
310.04221	2.2
346.06226	5.6
346.22580	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	346.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05031	2.5
58.06600	0.5
60.51423	0.4
67.01840	0.7
68.99782	0.4
69.03430	0.4
69.07066	7.3
70.06596	1.2
71.42760	0.4
71.46511	0.4
72.08157	0.9
74.06078	12.2
74.93166	5.7
81.03423	0.6
81.07056	0.4
84.04473	0.4
84.08158	0.4
84.37777	0.4
86.09700	100.0
87.10030	1.8
90.05563	0.4
91.05476	1.1
96.26209	0.4
98.06041	1.3
99.05591	0.5
113.02371	0.8
116.07090	1.5
119.04913	1.8
119.08468	0.4
121.02850	1.0
121.06505	0.7
126.05516	4.3
129.10234	0.4
137.02364	3.2
137.03300	0.6
141.01790	0.7
144.06602	0.7
147.04388	5.4
149.02321	0.7
152.83064	0.4
163.03886	0.5
165.01857	0.7
179.03558	0.5
181.01389	0.6
186.92352	1.2
195.11308	1.1
199.02399	1.4
199.18057	1.5
203.13901	9.1
204.14201	0.5
204.93384	1.8
211.14400	1.3
215.13925	0.8
222.94412	1.1
227.01865	1.8
239.07079	1.4
239.13853	5.7
241.04890	0.7
245.02950	0.6
256.06793	0.6
257.08041	0.6
257.15002	0.7
265.04971	0.6
267.06522	2.2
278.56851	0.4
280.90494	2.7
298.91531	2.2
311.05753	0.4
328.08200	1.7
329.06393	0.5
346.05966	0.7
346.09335	1.3
346.22443	0.5
347.12943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04778	0.8
56.05036	10.0
57.03413	0.6
58.06599	3.9
68.05022	0.6
69.03445	0.7
69.07071	1.1
69.45127	2.2
69.45539	1.2
72.08131	1.2
73.04004	0.6
74.06079	26.2
81.07060	1.4
81.73470	0.6
84.04510	6.2
86.06044	1.8
86.09704	62.8
87.05609	1.0
87.10023	0.9
98.09677	1.6
98.12097	0.8
99.00723	0.7
100.07611	0.9
101.06493	1.4
101.07139	21.7
124.11274	1.6
126.09122	1.8
126.12808	2.4
132.10194	3.6
137.02454	0.7
137.05974	2.6
138.06332	1.6
142.12280	9.0
143.11797	7.6
147.04398	1.1
152.10730	0.8
169.01344	1.5
169.13441	1.5
170.01674	1.0
181.01286	1.3
182.01707	1.3
185.92691	0.6
187.14413	100.0
188.14758	2.4
199.02425	1.3
200.02783	1.0
215.13905	27.9
216.14168	0.9
233.14934	2.1
236.02696	1.5
237.18805	0.6
238.41943	0.6
245.18622	4.3
310.80557	0.7
317.02866	1.9
328.03964	0.9
329.17538	0.7
347.07471	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2336
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
56.04778	0.8
56.05036	10.0
57.03413	0.6
58.06599	3.9
68.05022	0.6
69.03445	0.7
69.07071	1.1
69.45127	2.2
69.45539	1.2
72.08131	1.2
73.04004	0.6
74.06079	26.2
81.07060	1.4
81.73470	0.6
84.04510	6.2
86.06044	1.8
86.09704	62.8
87.05609	1.0
87.10023	0.9
98.09677	1.6
98.12097	0.8
99.00723	0.7
100.07611	0.9
101.06493	1.4
101.07139	21.7
124.11274	1.6
126.09122	1.8
126.12808	2.4
132.10194	3.6
137.02454	0.7
137.05974	2.6
138.06332	1.6
142.12280	9.0
143.11797	7.6
147.04398	1.1
152.10730	0.8
169.01344	1.5
169.13441	1.5
170.01674	1.0
181.01286	1.3
182.01707	1.3
185.92691	0.6
187.14413	100.0
188.14758	2.4
199.02425	1.3
200.02783	1.0
215.13905	27.9
216.14168	0.9
233.14934	2.1
236.02696	1.5
237.18805	0.6
238.41943	0.6
245.18622	4.3
310.80557	0.7
317.02866	1.9
328.03964	0.9
329.17538	0.7
347.07471	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96197	21.0
65.09211	18.4
65.93069	23.2
67.05502	96.8
67.90990	20.2
69.07049	33.4
70.67223	23.1
74.82238	20.1
79.05482	40.8
81.07040	45.4
83.08600	21.6
91.05489	28.5
93.07041	32.7
95.08618	24.3
96.13494	17.8
105.07067	23.9
105.19934	20.7
107.08591	44.2
109.10153	44.6
112.81504	24.6
119.81927	21.7
121.81488	21.1
135.88210	18.2
155.10637	37.3
167.45673	21.1
173.11765	100.0
189.11169	20.4
195.13734	36.3
195.66933	18.9
275.20093	54.2
359.68964	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.3
55.05511	40.4
57.03434	11.1
57.07073	8.8
65.03958	4.0
67.05161	7.2
67.05502	100.0
69.03414	7.2
69.07068	31.8
70.16174	9.6
71.04992	14.5
79.05485	64.7
81.03414	8.6
81.07051	79.2
83.04984	14.2
83.08595	22.6
85.06560	8.2
85.10181	15.8
91.05475	55.3
93.07035	41.0
94.04773	3.7
95.04984	19.8
95.08602	73.5
97.06535	10.6
97.10167	15.2
99.04437	4.9
99.08087	9.1
105.04571	4.3
105.07011	27.6
107.04935	7.0
107.08588	36.2
109.06507	7.1
109.10155	33.7
111.04405	5.3
111.08068	10.5
113.09671	19.8
117.07016	10.6
119.08583	23.3
121.06467	6.1
121.10143	49.5
123.08041	6.6
125.09653	24.0
129.06995	7.5
131.08586	18.7
133.10132	23.4
135.11656	20.3
137.09630	14.2
139.11182	18.5
143.08578	4.1
145.10129	14.8
147.08015	4.0
147.11694	10.2
149.09628	12.5
151.11174	12.1
152.41177	3.7
153.20755	4.8
155.10648	7.1
157.10153	5.6
159.11717	4.7
161.09508	4.4
163.11218	10.4
167.10649	13.9
167.37112	4.3
173.11723	15.4
175.18489	4.8
177.12865	6.5
179.10674	9.4
181.12228	6.7
185.11790	5.1
197.11661	5.7
199.13150	5.9
209.11693	6.6
275.19965	21.3
285.07117	7.8
293.21140	17.9
313.06650	8.2
331.07614	5.6
346.09885	28.0
346.26065	8.0
346.30731	9.4
347.18301	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	346.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77250	1.4
52.00223	1.4
53.49220	1.3
55.05505	3.2
56.96571	8.3
57.03436	16.1
57.47086	1.4
58.06588	7.1
67.05504	14.4
69.03410	4.1
69.07063	4.1
70.06587	8.7
70.90748	2.0
71.04997	5.1
72.08155	100.0
73.06548	1.5
73.08495	1.7
74.02426	5.9
76.07642	22.6
76.65444	1.6
79.05488	3.6
81.03424	10.5
81.07065	5.0
83.04988	4.4
84.04499	2.4
84.08137	3.9
84.77242	1.5
85.02866	1.7
89.06031	3.3
89.10792	24.6
90.09206	2.8
93.07059	2.9
95.04956	4.3
95.08605	79.7
97.02907	1.9
98.09657	3.8
98.97578	5.5
100.07588	2.4
102.05559	3.8
105.07037	2.2
106.65678	1.6
107.08592	3.4
110.09700	9.0
116.98625	2.9
120.08170	2.2
123.08069	31.1
124.11230	10.5
125.09631	14.4
141.09102	29.5
141.13869	3.6
147.04375	2.2
151.03848	1.5
152.10690	8.6
153.09094	1.6
168.10249	2.0
170.11763	21.2
174.97514	2.2
187.03885	5.0
188.48674	1.5
194.15442	2.8
211.02298	2.1
212.16447	28.6
213.19618	5.6
216.98691	10.5
229.19113	65.5
230.17468	2.3
230.19479	2.7
234.99799	12.7
240.15973	1.9
258.17004	3.5
261.78693	1.8
273.00140	2.3
275.19598	8.7
310.24994	2.0
311.05685	2.1
328.25995	4.1
329.24265	3.1
346.26987	89.1
347.07477	3.4
347.27264	4.9
364.05487	15.5
365.05658	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77419	20.6
72.08144	13.4
74.06065	5.9
79.61714	4.4
84.04494	15.5
84.08139	52.6
86.09692	39.4
90.68443	5.5
94.30582	4.5
101.00879	18.9
113.03488	5.3
119.01929	15.7
126.01079	13.9
129.10242	30.3
130.04999	12.5
130.08678	6.3
136.06187	19.4
138.05504	31.2
143.01901	100.0
144.06619	5.5
147.07680	12.9
147.11301	7.2
155.01958	4.9
161.02946	99.0
167.82802	5.2
173.02852	6.8
173.12802	10.9
185.05927	18.8
187.14455	5.8
196.63594	5.2
203.03998	43.6
246.03853	10.6
287.09680	12.5
337.53113	5.9
347.05923	79.5
347.10608	8.8
347.22653	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	347.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03941	0.3
54.43783	0.3
55.64562	0.2
68.99765	0.4
69.22373	1.0
69.22780	0.5
73.19608	0.3
75.98795	0.2
77.03924	0.7
83.01336	3.3
91.05477	0.4
95.04945	0.9
95.08566	0.5
95.21468	0.2
103.05457	28.3
104.05799	0.6
105.04488	0.6
105.06992	0.3
115.03902	0.3
115.05452	0.5
121.06509	0.9
127.00230	0.3
131.04913	100.0
132.05238	3.3
141.07072	0.3
145.01306	3.7
145.06496	0.8
155.04878	0.4
157.06380	0.4
159.02888	2.0
171.04353	0.4
173.06001	0.7
183.04420	0.3
189.05432	1.1
199.03871	0.7
213.05386	0.5
215.01945	1.6
227.03355	0.3
228.04163	0.5
231.06488	8.2
232.06697	0.3
233.03065	0.3
241.04970	0.3
245.04457	0.3
287.05457	8.1
287.08636	0.5
288.05688	0.3
305.06519	10.3
306.06799	0.6
311.16513	0.4
315.05310	0.3
329.17456	0.4
331.05673	0.6
347.07321	0.5
347.18634	1.3
347.22424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1025
Annotation	6-Iminosanguinarine
Peak:m/z	Relative Intensity
56.37656	0.2
66.77364	0.2
69.46719	0.2
69.54015	0.9
91.05460	0.2
96.71789	0.2
97.33660	0.2
103.05458	0.2
104.04988	0.5
126.74512	0.2
131.04921	0.5
132.04440	9.9
134.63335	0.2
141.24832	0.2
160.03918	4.0
161.04317	0.3
169.03944	0.5
178.04959	6.8
187.05009	27.0
188.03400	3.8
188.05264	1.0
188.06978	0.2
197.03453	1.1
199.05025	3.5
200.05733	0.2
206.04469	11.3
207.04800	0.5
213.02904	1.0
215.04488	37.3
216.02892	2.9
216.04834	1.5
227.04596	0.3
234.03954	1.2
241.02441	0.5
243.03983	67.4
244.04338	3.2
244.06877	0.4
256.04956	0.2
261.05042	14.8
262.05417	0.6
274.08508	0.3
277.09933	0.3
286.27167	0.2
302.07880	0.2
305.09158	2.0
331.05722	0.7
347.10214	100.0
348.10550	8.6
348.30994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
55.01872	1.3
59.04993	0.5
65.03935	1.5
67.01859	0.7
67.35188	0.5
68.99783	2.3
69.03429	5.8
69.51939	2.0
77.03922	0.8
81.03385	0.6
83.04980	0.5
91.05472	1.1
92.82144	0.5
93.03397	1.6
95.01348	1.4
95.04953	1.7
97.02914	2.3
103.05468	28.0
104.05786	1.0
105.07012	1.0
107.01305	1.0
111.04429	1.1
117.07017	0.7
121.02878	3.2
123.00763	0.7
127.03897	0.8
129.05463	0.9
131.04926	100.0
132.05296	3.7
137.02328	4.9
139.03941	1.3
141.01747	0.7
143.28343	0.5
145.06473	0.7
148.25755	0.5
149.02354	1.8
150.54843	0.5
151.03917	1.1
151.72726	0.6
153.05478	1.2
155.03366	2.2
155.04851	1.2
157.04938	2.2
165.01846	5.6
169.05029	0.6
173.05984	10.8
179.03398	4.8
179.08604	0.7
181.04919	1.6
181.06459	1.1
183.02885	11.6
183.07944	0.6
193.01390	1.0
195.07977	1.0
197.04448	1.7
201.03787	0.6
207.02872	1.0
207.08037	0.7
217.67105	0.5
223.07541	2.3
225.03969	4.0
225.09065	0.8
226.99483	0.7
227.07047	0.5
237.16058	0.5
241.08607	0.7
243.05040	4.3
251.07120	1.3
253.08504	0.6
269.08090	2.0
279.06522	1.2
283.09650	1.1
285.11316	0.8
287.06085	0.7
287.08987	2.6
297.07532	2.2
311.09167	3.5
329.10172	8.3
330.10504	1.0
331.05701	1.8
347.11255	7.1
347.18433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
54.98720	0.3
55.01868	0.8
59.05008	0.5
65.03927	1.0
68.99776	2.2
69.03427	4.9
70.80474	0.5
71.01336	0.3
73.46147	0.3
73.69317	0.2
77.03922	0.8
79.01852	0.5
79.05489	0.6
81.03416	0.8
85.02896	0.5
88.99803	0.3
91.05471	1.5
93.03410	1.3
95.01311	1.0
95.04951	1.3
97.02882	2.6
99.99831	0.3
101.05999	0.3
103.05458	27.8
104.05755	0.7
105.07011	1.1
107.01307	1.2
107.22416	0.3
109.02853	0.8
111.04411	1.1
113.02345	0.7
117.06994	0.5
117.54668	0.3
119.01269	0.4
121.02872	3.5
123.00798	0.6
123.04435	0.9
125.02344	0.5
125.05984	0.3
127.03875	0.3
128.06300	0.3
129.05524	1.4
129.06979	0.5
131.04915	100.0
132.05249	4.2
137.02327	5.9
139.03926	1.7
141.07050	0.3
145.06520	0.4
147.00797	0.4
149.02306	2.0
151.00278	0.3
151.03880	1.1
153.05472	1.0
153.06879	0.3
155.03377	2.6
155.04871	1.3
155.05994	0.3
155.08537	0.3
157.01306	0.4
157.04933	1.6
165.01823	5.8
165.07037	0.6
167.03416	0.4
167.08607	0.6
169.04872	0.6
173.05960	10.9
174.06171	0.4
178.07674	0.4
179.03378	4.7
179.08534	0.9
181.04938	1.4
181.06424	0.6
183.02878	10.3
183.08147	0.5
193.01343	1.1
195.08017	0.6
197.04364	1.4
199.05879	0.4
199.07562	0.4
201.03906	0.6
205.06645	0.3
207.02806	0.6
207.08057	1.0
208.44965	0.3
215.05559	0.6
216.07755	0.5
217.55440	0.3
223.07541	2.5
225.03923	5.0
225.09068	0.5
227.06923	0.4
229.08643	0.3
235.07486	0.7
241.08536	0.6
243.05022	4.1
244.07193	0.6
251.07031	2.1
253.08597	0.7
267.09930	0.4
269.08057	2.7
279.06467	1.0
283.09692	1.3
285.11148	0.4
287.09122	3.0
297.07584	1.9
301.10709	0.8
311.09100	3.3
312.09158	0.3
329.10135	7.6
330.10385	0.5
347.11243	7.3
347.18442	0.9
347.23203	0.3
348.13177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1125
Annotation	Kushecarpin B
Peak:m/z	Relative Intensity
67.05490	0.6
68.99782	9.8
69.03416	1.1
71.42854	0.6
74.07856	0.5
74.38639	0.5
77.03944	0.5
77.83997	0.4
79.05476	0.6
81.03426	0.5
91.05485	1.4
93.03416	0.5
93.07030	0.5
95.01337	1.3
95.04945	1.7
95.08589	0.6
97.02870	0.5
103.05460	28.9
104.05756	0.9
105.03392	0.7
105.07040	1.2
107.01308	2.0
107.08673	0.6
111.04408	1.0
115.05450	2.0
117.07008	5.2
121.02862	1.2
121.10112	0.5
127.05417	0.7
128.06200	2.1
129.06967	1.3
131.04913	100.0
132.05249	2.9
145.06476	4.8
147.08154	0.6
153.07001	0.7
155.04884	7.2
155.06032	4.2
155.08537	1.0
165.06955	0.6
173.05968	70.3
174.06279	2.6
178.07794	1.0
179.07045	0.9
179.08577	1.7
183.02875	0.8
183.07983	2.3
193.04932	0.8
197.09554	1.0
207.07977	1.7
225.09056	1.7
235.07495	1.0
243.10161	1.0
244.03549	0.9
244.06833	0.5
253.08546	1.5
271.09952	0.5
283.17068	0.6
285.11301	0.7
303.12213	0.5
314.14822	0.6
329.17642	3.4
331.05679	0.8
347.11160	2.6
347.18433	4.4
348.09244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85194	1.8
55.01871	4.7
55.26221	2.0
65.03951	2.8
68.99799	3.7
71.01364	5.3
71.43088	2.5
77.03926	2.4
78.33807	1.8
79.05465	2.3
81.07056	2.1
86.95840	2.0
91.05482	82.1
95.01358	4.2
95.04943	6.1
97.06520	2.5
103.05467	54.2
104.65977	2.0
105.03400	19.6
105.07040	5.8
109.02906	2.8
115.05451	28.5
117.07020	34.7
127.05511	2.0
128.06242	7.0
129.07007	25.6
131.04933	100.0
131.08530	2.9
132.05278	4.4
133.06499	3.8
141.06990	22.5
143.04918	11.0
143.08557	2.7
145.06490	14.7
152.06265	4.3
153.06990	5.3
155.04913	7.4
155.06079	4.9
155.08575	2.3
157.01308	2.3
157.06502	30.6
159.04396	2.3
159.08072	10.7
161.05960	2.8
163.07585	2.0
165.07034	3.1
167.08534	3.8
169.06477	13.7
171.04439	6.3
173.05945	11.2
181.06508	5.9
183.04405	4.1
183.08025	2.7
185.05980	61.6
186.06468	3.9
187.07550	3.6
195.07990	2.2
197.06003	14.4
199.03876	12.3
199.07536	3.8
201.05479	2.5
201.09062	2.3
209.06026	2.1
211.03914	7.0
211.07509	3.5
215.07024	5.6
217.05026	2.8
220.76091	2.0
223.07533	4.3
225.05539	5.6
228.09366	6.6
229.08476	5.2
229.10263	6.0
239.08586	5.2
240.09277	7.4
241.10112	6.6
243.06505	17.3
243.11772	2.6
244.07274	2.7
255.11703	9.4
257.09586	8.4
259.11227	6.3
261.04898	1.9
261.07547	35.0
265.10208	6.2
268.08820	3.5
269.09604	6.3
273.12820	6.1
275.10641	3.3
277.12192	4.4
283.11157	11.3
285.09021	3.1
287.10727	12.1
301.12149	15.9
303.10126	3.9
305.11700	3.4
311.10690	9.6
329.11765	9.1
329.17416	3.7
331.05801	3.4
347.12833	24.2
347.18372	8.8
348.08749	1.9
348.13306	3.3
364.02942	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	347.1312
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.05506	0.7
59.05000	3.0
65.03097	0.6
69.03418	2.0
69.07082	0.7
69.60349	1.7
70.06583	2.6
71.06897	0.8
72.08131	1.3
73.02880	0.8
81.03403	0.9
84.08108	1.5
85.02893	2.7
86.09692	9.4
87.10044	1.7
91.05471	1.8
97.02880	1.3
103.07561	1.9
110.07113	0.7
113.02329	1.1
119.01922	0.6
119.04910	1.2
120.77966	0.6
121.06490	2.7
127.03902	1.0
137.02333	1.5
139.00281	0.8
141.01807	0.7
143.03151	0.7
147.04395	3.8
148.04730	2.1
157.01292	0.7
167.06868	3.5
181.01344	1.8
185.04266	3.8
185.07831	11.7
191.07326	0.7
199.02353	3.6
199.18037	1.1
200.18336	1.2
203.05220	11.7
220.62733	0.7
227.01840	5.3
237.08221	0.7
245.02846	0.9
285.13101	6.2
289.08398	0.8
301.12552	75.3
302.12976	2.1
329.11636	1.2
347.13089	100.0
347.16589	6.7
348.13364	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	347.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
59.05001	6.7
62.74657	0.6
69.03449	1.1
69.70013	2.5
70.06552	0.7
72.08166	0.7
73.06569	0.9
78.99496	0.7
79.05481	0.7
83.04969	2.1
84.08110	0.7
87.04463	4.0
89.06026	100.0
90.06374	1.2
91.05481	1.0
93.63548	0.6
101.06002	1.3
103.07581	3.9
105.07059	0.6
107.07076	3.1
113.00031	2.4
119.08540	1.0
120.08112	0.8
127.01562	26.7
129.10225	0.7
131.07040	0.9
133.08598	52.3
134.37029	0.6
137.02344	1.4
139.01546	6.8
147.10181	2.0
153.03119	18.0
153.04341	1.4
159.11668	0.6
177.11250	2.5
183.04187	3.1
197.05708	4.3
253.83253	0.6
301.11658	1.0
303.12189	0.8
329.11176	0.7
347.11935	1.0
362.37509	0.7
362.74072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1675
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
55.05494	0.4
67.60816	0.3
69.03403	0.5
69.59420	0.4
69.59751	1.3
79.05495	0.4
81.07055	0.4
91.05493	0.6
93.07044	0.5
95.04961	0.4
98.23385	0.7
105.06984	0.4
105.67664	0.3
107.08562	0.5
119.08595	0.5
121.06492	0.5
143.08546	0.4
170.09933	0.3
176.55739	0.3
185.11485	2.1
209.13292	0.4
286.39133	0.4
311.16446	0.5
329.17395	0.5
343.22717	0.4
347.16736	100.0
348.17105	5.7
348.22513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1848
Annotation	Gibberellin A44
Peak:m/z	Relative Intensity
50.10323	0.6
55.01860	0.9
55.05490	2.2
67.05487	2.1
69.03410	1.3
69.07043	2.2
71.43307	0.8
73.48051	0.8
79.05463	2.6
81.07048	6.5
82.79530	0.7
83.08595	1.1
84.73997	0.7
91.05476	3.1
93.07029	2.1
95.04954	1.4
95.08598	9.0
102.68436	0.8
103.05457	1.7
105.07005	2.4
107.04947	3.2
107.08619	4.7
109.06499	2.7
109.10145	0.9
115.05415	1.8
117.07021	1.8
119.08548	2.4
121.06516	1.9
123.04461	1.7
125.09636	1.1
128.06235	4.0
129.07036	1.9
131.04913	3.7
131.08536	1.7
132.05220	1.3
133.06464	1.6
133.10117	6.5
135.04398	6.0
135.08054	0.8
137.05992	1.3
141.07002	1.3
142.07758	2.7
143.08560	9.0
145.06488	2.9
147.04373	1.0
149.05974	1.6
153.05478	7.9
154.07726	0.8
155.08540	1.6
157.06467	1.2
157.10091	4.3
159.08064	2.1
160.05206	1.1
161.05983	6.4
161.09593	1.3
162.06729	1.0
163.07532	100.0
164.07898	4.5
167.08578	1.2
169.06514	0.8
169.10110	2.5
170.07245	1.1
171.08057	4.1
171.11685	2.5
173.05942	1.6
174.06708	1.3
175.07518	4.0
175.11116	0.9
177.09103	6.8
181.08609	25.1
181.10074	2.5
182.08955	1.3
183.08057	2.3
184.08803	0.9
185.05963	0.8
185.09601	4.4
187.07556	3.1
189.09087	41.4
190.09483	1.5
191.10666	1.0
195.08052	3.0
195.11690	2.5
197.09647	3.2
199.07579	2.2
199.11148	2.1
201.09122	8.1
203.08727	1.8
203.10651	34.2
204.11012	1.7
205.08604	0.9
207.10136	12.5
207.11925	1.2
209.09647	8.9
209.13356	1.0
212.08354	2.2
213.09073	9.2
214.09830	1.5
215.10652	9.8
217.08516	0.9
219.10017	1.3
221.09749	1.5
221.11700	30.7
222.12126	1.2
223.11206	4.3
224.11862	1.2
225.09186	0.8
227.08392	1.5
227.10637	28.2
227.12778	1.4
228.11145	3.0
229.12296	1.6
231.10123	2.4
233.11690	1.7
235.11292	1.6
236.11945	2.0
237.12671	1.8
237.16443	1.5
239.10754	1.2
240.11380	2.1
241.12157	5.0
242.13010	1.8
243.13623	1.2
245.11772	2.4
250.13634	1.1
253.12186	2.2
253.15955	1.1
254.12924	2.3
255.13687	5.4
255.17435	2.4
259.09521	1.2
259.13428	1.4
265.15854	10.2
268.14609	2.3
269.15289	1.5
283.16907	80.5
284.17111	4.0
287.16504	3.4
301.17963	93.6
302.18265	6.2
311.16428	10.6
319.15445	0.8
329.17447	27.9
330.17825	1.8
347.14230	1.6
347.18539	30.1
348.18872	2.8
348.22845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.185
Annotation	Maoecrystal C
Peak:m/z	Relative Intensity
55.01830	0.7
55.05477	0.6
67.05473	1.6
77.03893	1.2
79.05490	3.2
81.07045	4.2
91.05465	5.3
91.42292	0.5
93.07039	4.9
95.04913	1.9
95.08597	3.1
103.05405	2.0
105.07024	9.1
105.73620	0.5
107.04943	3.6
107.08586	7.2
108.10986	0.5
109.06490	3.6
109.10091	1.5
111.08035	1.5
111.35239	0.6
112.81768	0.6
115.05394	1.6
117.07017	5.1
119.04871	1.1
119.08559	5.2
121.06496	1.1
123.04457	1.2
127.07542	3.1
128.06174	1.2
129.06953	1.8
131.04854	2.5
131.08501	1.8
133.06487	0.8
133.10081	1.6
135.04350	1.9
135.07997	1.9
137.05934	2.7
142.07727	2.1
143.08543	3.1
145.06480	1.8
149.02283	1.4
149.05905	2.6
151.03941	0.8
151.07462	1.8
153.05484	0.8
155.08502	1.7
157.06462	0.9
157.10118	3.8
159.08057	1.3
161.05963	5.0
162.06781	0.8
163.03896	18.5
163.07515	5.6
165.05470	20.6
166.07791	0.6
167.08351	0.7
169.09998	0.6
171.07965	1.5
171.28131	0.6
173.05914	1.5
173.09468	0.8
174.06776	0.8
175.07484	5.3
177.05453	27.0
177.09024	4.3
178.05846	0.9
179.06973	1.0
179.08470	1.3
181.04938	6.3
181.10068	1.7
183.07979	1.2
185.05937	1.2
185.09596	4.4
185.32082	0.6
187.07515	3.3
188.08214	0.6
189.05397	3.1
189.09074	4.6
191.07010	17.6
191.08675	1.4
191.10608	0.7
192.07181	0.7
193.08551	3.2
193.10112	1.3
195.06448	1.4
195.08020	0.9
195.11649	1.1
196.08723	0.7
197.09535	0.7
198.06845	0.7
199.07458	0.8
201.09109	9.0
203.07031	4.6
203.08707	0.7
203.10609	11.0
204.10947	0.8
205.08455	1.6
205.10147	0.9
206.10883	1.3
207.11693	1.3
209.09557	2.5
209.13254	1.7
212.08185	1.0
213.09061	2.2
213.12888	0.7
215.06801	0.7
215.10669	1.2
217.08485	7.4
218.09088	0.8
219.08086	1.1
219.09924	2.9
221.09657	1.4
221.11542	0.7
222.10371	1.0
223.07404	0.6
223.11087	2.1
225.09033	1.4
225.12752	0.7
227.06949	0.9
227.10684	3.1
227.14241	0.9
229.08546	1.2
231.10172	1.3
233.09523	1.2
234.10271	1.1
235.11090	1.9
235.14885	0.7
237.09055	1.2
237.12708	2.7
239.10683	2.2
240.11394	0.9
241.08545	0.7
241.12242	2.4
243.13689	1.4
245.09679	1.3
246.10468	0.9
247.11133	1.5
247.14796	1.3
250.09962	0.7
251.10707	1.2
252.11404	1.5
253.12267	3.5
254.12982	0.9
255.09944	0.7
255.13773	5.6
260.12021	1.8
263.14209	2.0
264.11325	1.0
265.12271	2.1
265.15939	1.1
267.13705	1.1
269.11810	1.1
269.15363	1.4
271.13098	1.1
275.14307	2.0
278.13046	1.7
281.15295	1.9
283.13232	2.9
283.16876	1.7
293.15302	6.3
296.13864	1.3
301.14322	21.1
301.17612	1.1
302.14667	1.7
311.16339	9.7
329.17441	100.0
330.17874	7.0
341.94318	0.6
347.18509	52.5
348.18814	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1853
Annotation	[4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid
Peak:m/z	Relative Intensity
53.03950	7.4
55.01852	6.0
55.05508	13.7
57.03424	2.8
58.59473	1.1
63.07480	1.3
65.03934	5.3
67.05501	26.0
69.03068	2.4
69.03428	46.2
69.07059	10.4
71.01337	2.8
71.04974	3.8
77.03895	2.0
79.05035	2.7
79.05483	34.1
81.03412	100.0
81.07053	30.3
83.04977	36.6
83.08607	2.0
85.02895	2.8
85.06535	4.4
91.05470	50.6
93.07040	35.3
95.04964	34.3
95.05576	0.7
95.08599	18.2
95.46821	1.2
97.02862	2.4
97.06506	7.1
99.04452	3.7
103.05463	6.4
105.03405	2.1
105.04488	2.0
105.07021	50.5
105.07730	2.4
107.04949	10.5
107.08586	33.9
109.02845	4.0
109.06512	22.4
109.10137	5.5
111.04433	25.2
111.08044	6.5
113.05975	10.1
115.05456	6.9
116.06217	1.4
117.07007	32.4
119.04931	6.2
119.08566	42.0
121.02881	1.8
121.06496	24.7
121.10133	10.5
123.04449	4.0
123.08059	13.8
125.05988	4.4
125.09613	3.9
127.07498	3.2
128.06189	9.0
129.06981	20.2
130.07784	3.5
131.04941	6.6
131.08559	46.0
132.08923	2.0
133.06485	10.3
133.10115	21.5
134.10374	1.4
135.08044	28.8
135.11705	5.3
137.05936	6.6
137.09621	3.6
139.07520	2.1
141.06966	8.9
142.07770	13.1
142.58008	1.2
143.08556	26.8
144.09291	3.8
145.06503	17.1
145.10109	33.8
146.10468	1.9
147.04362	3.4
147.08028	24.3
147.11671	12.9
149.05984	3.0
149.09605	19.3
149.13234	4.2
151.11172	1.7
153.06956	5.6
153.09084	1.9
154.07735	3.7
155.08551	17.5
156.09340	10.5
157.06487	2.9
157.10120	32.3
158.07274	4.3
158.10812	3.6
159.08072	21.5
159.11668	26.9
160.08722	2.6
161.05894	2.1
161.09590	18.6
161.13226	5.4
163.07544	6.1
163.11208	6.0
163.14803	1.4
165.01546	1.2
165.05560	1.9
165.06923	6.0
165.09149	4.1
166.07787	4.2
167.07233	1.9
167.08437	6.5
168.09332	8.9
169.06407	3.0
169.10120	15.6
170.10841	1.9
171.08070	9.3
171.11665	14.9
172.08826	2.4
173.09602	20.0
173.13246	28.9
175.07491	2.8
175.11165	18.8
175.14796	2.5
177.09129	2.9
177.12738	10.5
178.07771	3.8
179.08530	5.6
179.10538	1.4
180.09328	3.7
181.06430	1.8
181.08585	2.2
181.10040	11.0
182.10835	2.9
183.08072	5.7
183.11684	15.8
184.08781	3.5
184.12009	1.2
185.09636	8.7
185.13205	4.1
186.10318	2.1
187.07474	2.3
187.11179	9.9
189.09134	3.1
189.12724	9.6
191.08687	1.8
191.10629	4.7
191.14287	5.2
192.09326	3.8
193.10114	5.7
193.11832	1.4
194.10884	1.9
195.08038	3.5
195.11703	6.3
195.13786	4.9
196.08824	2.6
197.09575	6.7
197.13255	4.6
199.07558	1.7
199.11171	16.1
199.14775	1.7
200.11722	1.2
201.09093	2.5
201.12733	28.2
203.08763	1.5
203.10669	5.1
203.14311	2.9
205.10182	2.9
205.12195	2.3
206.10855	1.9
207.10016	2.5
207.11711	5.4
207.13663	2.5
209.09618	4.1
209.13266	3.7
210.10272	1.5
211.11217	6.2
211.14864	1.8
212.11838	1.8
213.09167	2.3
213.12752	3.5
215.10577	1.8
215.14325	2.7
217.12204	15.4
219.11662	2.4
219.13770	33.4
221.09654	1.7
221.13321	2.4
223.11168	5.5
223.14822	2.7
225.12672	3.6
227.10698	1.7
229.12138	9.4
231.13838	1.7
234.10434	1.5
235.11156	2.6
235.13260	5.2
237.09193	1.8
237.12660	2.5
237.14706	15.3
238.15295	1.6
238.24794	1.3
239.14281	3.3
241.12155	3.1
241.15886	1.7
243.13791	2.9
247.13214	18.3
249.12700	2.7
251.14349	3.6
255.13705	2.3
261.14749	1.5
265.14249	71.6
266.14642	6.1
267.13953	1.9
269.15247	2.6
273.14990	2.8
275.14172	2.4
281.15100	1.5
283.16895	5.7
285.14841	4.0
293.15244	5.5
299.16315	2.1
301.17981	1.6
311.16394	17.4
329.17438	35.5
330.17618	3.0
347.18491	75.8
348.18796	5.4
360.33035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1847
Annotation	Gibberellin A44
Peak:m/z	Relative Intensity
55.05499	1.7
63.37297	0.6
67.05460	0.7
69.03429	1.2
69.07059	1.3
79.05481	1.9
81.07048	3.1
83.08551	0.6
88.98625	0.7
91.05483	2.0
93.07044	1.6
95.04964	1.8
95.08603	4.6
98.22729	1.8
103.05501	1.9
105.07017	1.9
107.04949	2.3
107.08572	2.3
109.06531	2.2
111.04393	0.9
114.05524	1.0
117.07013	1.9
117.62034	0.7
117.77927	0.6
118.92737	0.6
119.08592	0.8
121.06496	1.5
122.45466	0.7
128.06236	1.6
129.07008	1.5
131.04906	4.7
132.05238	1.4
133.06506	0.7
133.10123	2.0
135.04428	3.7
138.01840	1.1
142.07756	2.3
143.04926	0.6
143.08588	4.4
145.06520	1.2
148.05205	1.3
153.05469	6.4
154.07741	1.1
155.08530	1.5
157.10120	1.8
160.05194	0.8
161.05997	2.6
162.06834	0.9
162.46657	0.7
163.07542	100.0
164.07916	3.4
165.05508	0.7
167.08519	1.3
169.10124	1.1
170.07109	1.1
171.08025	2.8
174.06732	1.3
175.07587	2.4
177.05493	0.7
177.09109	2.2
181.08569	2.1
181.10106	1.6
182.04498	1.3
183.04813	0.9
183.08122	1.6
185.09619	1.7
187.07544	1.6
189.09108	27.7
190.09456	0.8
191.10579	0.7
195.08020	1.3
195.11760	1.0
197.09619	2.3
199.07503	0.8
201.09064	5.1
203.10675	25.4
207.10187	0.8
209.09605	5.1
209.13310	0.6
211.02330	1.2
212.08205	0.7
212.73209	0.6
213.09157	5.5
214.09901	1.0
215.10645	4.9
217.12212	0.9
221.09657	1.1
221.11708	1.6
223.11200	1.8
225.05887	1.0
225.09213	0.7
227.10648	13.6
228.11284	0.9
229.05344	1.4
229.12248	1.3
235.11163	1.4
236.11838	0.6
237.12674	0.9
237.16315	1.3
239.10638	0.8
240.11469	1.0
241.12209	3.5
242.12938	2.0
243.04048	1.5
243.06805	0.8
243.10056	1.2
250.13544	1.1
253.12260	1.2
254.12938	1.8
255.13782	3.2
265.15884	7.5
268.14786	0.8
269.15338	1.2
283.16922	66.7
284.17252	3.2
293.15268	1.0
301.14578	1.5
301.17908	13.1
311.16415	12.6
312.16852	1.0
329.17459	27.1
330.17871	1.5
347.09851	1.3
347.13596	1.6
347.18512	12.8
348.18881	1.1
348.22598	1.0
364.02014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1849
Annotation	Gibberellin A44
Peak:m/z	Relative Intensity
50.17131	1.1
50.31771	1.2
53.03925	1.2
53.72665	1.0
55.05503	14.7
57.03440	2.6
57.07064	1.6
59.04993	2.0
67.05483	4.2
69.03430	7.2
69.07057	9.3
79.05500	9.2
81.03384	2.9
81.07053	9.7
82.23173	0.9
83.04964	5.0
83.08623	11.4
85.02922	1.1
91.05474	10.7
93.07030	10.9
95.04954	4.0
95.08607	8.2
97.02878	4.1
97.06504	2.4
105.07030	14.6
107.04969	2.3
107.08579	15.2
109.06503	4.4
109.10139	4.3
111.04442	1.4
111.08045	2.6
115.05463	2.3
117.06967	6.0
119.04925	1.6
119.08570	21.5
121.06472	4.3
121.10123	10.7
123.08048	4.8
125.02338	19.9
125.09622	1.6
127.03899	1.9
128.06187	2.6
129.07001	4.8
129.99751	1.0
130.07776	1.8
131.08543	9.4
133.06462	7.9
133.10117	10.9
135.04445	1.5
135.08041	26.2
135.11732	2.1
137.05952	1.8
137.09637	1.0
141.06926	1.8
142.07800	6.4
143.03403	4.1
143.08519	10.0
145.06459	1.6
145.10123	12.3
146.07210	1.4
147.04402	2.5
147.08015	4.5
147.11690	3.7
148.08775	2.3
149.05930	1.5
149.09607	9.0
153.05499	1.3
153.06976	1.4
154.07755	1.9
155.08578	4.4
156.09300	4.0
157.10100	15.3
158.07246	1.5
158.10756	1.6
159.08052	12.9
159.11682	9.9
160.08752	1.3
161.05885	1.6
161.09615	15.0
161.13228	3.9
163.07515	3.6
163.11157	2.2
165.06967	1.5
165.09094	1.8
168.09428	1.3
169.10147	7.0
170.10835	4.2
171.02934	1.1
171.08041	4.2
171.11673	11.5
172.08821	3.1
173.05991	1.1
173.09619	7.7
173.13268	7.6
175.07545	1.9
175.11180	8.2
175.14815	3.2
177.09082	1.8
177.12746	2.3
179.08574	2.1
180.09264	1.3
181.10123	5.6
182.10870	2.9
183.11710	5.8
184.08762	1.4
184.12421	2.1
185.09622	12.6
185.13223	6.1
187.07430	1.4
187.11172	10.0
187.14684	1.6
189.09070	4.3
189.12708	13.5
189.16359	1.7
191.10646	2.7
193.10101	3.6
194.10927	2.2
195.08032	2.2
195.11658	5.4
196.12498	1.2
197.09518	1.6
197.13234	5.8
199.07545	3.5
199.11169	7.3
199.14839	9.9
200.15509	2.2
201.09073	5.0
201.12703	3.8
203.10649	3.2
203.14252	4.2
204.15062	3.0
205.15846	4.4
207.11708	2.1
208.12383	1.1
209.09581	2.7
209.13203	3.0
211.11201	1.9
211.14804	2.2
213.09062	8.6
213.12743	4.6
213.16353	2.4
215.10719	3.8
217.08585	3.6
217.12408	1.8
217.15862	30.7
218.16293	1.3
219.10092	2.7
222.13963	1.7
223.11160	2.4
223.14760	5.8
225.12726	4.3
226.13385	1.3
227.10571	6.0
227.17883	2.1
229.08644	2.6
229.12138	1.5
231.10118	3.1
235.11115	1.3
236.11836	1.3
237.16373	6.4
239.14200	1.8
239.17963	2.4
241.12285	1.2
241.15810	5.9
243.10036	1.4
243.13783	1.6
245.11768	2.9
247.09505	1.6
247.14812	2.4
250.13432	1.5
251.10588	2.2
251.14352	1.6
253.12164	3.0
255.10078	2.5
255.13702	1.1
255.14821	1.6
255.17386	16.6
257.18921	1.7
257.34714	1.1
259.09695	11.4
259.12317	1.6
265.15903	5.5
267.13623	2.1
269.15298	2.6
273.11255	1.3
273.18411	2.8
277.10852	1.5
283.16922	29.8
284.17276	2.6
287.16397	1.4
293.15356	5.1
301.17926	18.2
311.16385	16.9
312.16626	1.2
329.17435	100.0
330.17807	7.7
331.92322	1.0
347.18518	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.7
55.05477	0.6
67.05473	1.6
77.03893	1.2
79.05490	3.2
81.07045	4.2
91.05465	5.3
91.42292	0.5
93.07039	4.9
95.04913	1.9
95.08597	3.1
103.05405	2.0
105.07024	9.1
105.73620	0.5
107.04943	3.6
107.08586	7.2
108.10986	0.5
109.06490	3.6
109.10091	1.5
111.08035	1.5
111.35239	0.6
112.81768	0.6
115.05394	1.6
117.07017	5.1
119.04871	1.1
119.08559	5.2
121.06496	1.1
123.04457	1.2
127.07542	3.1
128.06174	1.2
129.06953	1.8
131.04854	2.5
131.08501	1.8
133.06487	0.8
133.10081	1.6
135.04350	1.9
135.07997	1.9
137.05934	2.7
142.07727	2.1
143.08543	3.1
145.06480	1.8
149.02283	1.4
149.05905	2.6
151.03941	0.8
151.07462	1.8
153.05484	0.8
155.08502	1.7
157.06462	0.9
157.10118	3.8
159.08057	1.3
161.05963	5.0
162.06781	0.8
163.03896	18.5
163.07515	5.6
165.05470	20.6
166.07791	0.6
167.08351	0.7
169.09998	0.6
171.07965	1.5
171.28131	0.6
173.05914	1.5
173.09468	0.8
174.06776	0.8
175.07484	5.3
177.05453	27.0
177.09024	4.3
178.05846	0.9
179.06973	1.0
179.08470	1.3
181.04938	6.3
181.10068	1.7
183.07979	1.2
185.05937	1.2
185.09596	4.4
185.32082	0.6
187.07515	3.3
188.08214	0.6
189.05397	3.1
189.09074	4.6
191.07010	17.6
191.08675	1.4
191.10608	0.7
192.07181	0.7
193.08551	3.2
193.10112	1.3
195.06448	1.4
195.08020	0.9
195.11649	1.1
196.08723	0.7
197.09535	0.7
198.06845	0.7
199.07458	0.8
201.09109	9.0
203.07031	4.6
203.08707	0.7
203.10609	11.0
204.10947	0.8
205.08455	1.6
205.10147	0.9
206.10883	1.3
207.11693	1.3
209.09557	2.5
209.13254	1.7
212.08185	1.0
213.09061	2.2
213.12888	0.7
215.06801	0.7
215.10669	1.2
217.08485	7.4
218.09088	0.8
219.08086	1.1
219.09924	2.9
221.09657	1.4
221.11542	0.7
222.10371	1.0
223.07404	0.6
223.11087	2.1
225.09033	1.4
225.12752	0.7
227.06949	0.9
227.10684	3.1
227.14241	0.9
229.08546	1.2
231.10172	1.3
233.09523	1.2
234.10271	1.1
235.11090	1.9
235.14885	0.7
237.09055	1.2
237.12708	2.7
239.10683	2.2
240.11394	0.9
241.08545	0.7
241.12242	2.4
243.13689	1.4
245.09679	1.3
246.10468	0.9
247.11133	1.5
247.14796	1.3
250.09962	0.7
251.10707	1.2
252.11404	1.5
253.12267	3.5
254.12982	0.9
255.09944	0.7
255.13773	5.6
260.12021	1.8
263.14209	2.0
264.11325	1.0
265.12271	2.1
265.15939	1.1
267.13705	1.1
269.11810	1.1
269.15363	1.4
271.13098	1.1
275.14307	2.0
278.13046	1.7
281.15295	1.9
283.13232	2.9
283.16876	1.7
293.15302	6.3
296.13864	1.3
301.14322	21.1
301.17612	1.1
302.14667	1.7
311.16339	9.7
329.17441	100.0
330.17874	7.0
341.94318	0.6
347.18509	52.5
348.18814	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1851
Annotation	Laxiflorin L
Peak:m/z	Relative Intensity
55.01862	2.1
55.05504	1.4
65.03945	1.2
67.05496	3.7
69.03419	2.3
69.07175	2.3
69.07587	6.0
75.78405	1.1
76.21632	1.1
79.05497	3.7
81.07057	5.6
91.05468	7.6
93.07043	6.8
95.08617	5.8
97.02911	1.5
98.42934	1.2
103.05457	7.7
105.07045	9.4
107.04955	2.7
107.08598	8.4
108.21976	1.2
109.06530	3.7
109.10154	3.0
112.25581	1.2
115.05458	3.6
117.07030	4.2
119.04983	1.8
119.08579	6.2
121.06499	2.3
123.04381	1.7
127.07545	2.1
128.06271	2.4
129.07021	3.3
131.04930	18.5
131.08578	3.2
133.10115	3.3
135.04408	2.6
135.08101	2.0
137.05991	4.2
141.07027	1.7
142.07791	3.1
143.08557	3.5
145.06520	2.4
145.10086	1.2
147.08112	1.4
149.02327	1.8
149.05983	5.5
151.03835	1.4
151.07440	1.7
153.05412	1.5
153.07098	1.3
155.08585	2.3
157.06512	1.7
157.10118	4.6
161.05960	3.3
162.06801	1.8
163.03891	16.2
163.07524	19.8
164.04305	1.4
165.01772	2.2
165.05492	22.0
165.06818	2.3
167.08453	2.2
171.08057	3.3
173.06015	3.4
174.06639	1.4
175.07507	5.1
177.05482	21.9
177.09029	5.9
179.03383	1.4
181.04953	4.9
181.06416	1.3
181.10127	2.4
183.08035	1.8
185.06015	1.8
185.09705	6.0
187.07530	3.4
189.05444	4.7
189.09113	7.2
191.07022	14.1
195.06436	2.2
195.08076	3.5
195.11641	2.1
197.09669	2.1
199.07500	1.9
201.09123	7.8
203.07060	14.7
203.10651	11.4
205.08484	1.9
205.10255	1.6
209.09593	3.7
209.13170	1.6
211.02361	2.5
211.07561	1.8
213.09088	3.5
214.09908	2.6
215.10681	2.2
217.08490	10.3
219.10039	2.1
219.11859	1.7
221.07921	1.7
223.11160	4.0
225.03868	2.7
225.09132	3.1
227.07010	2.9
227.10667	7.8
228.07843	4.3
229.08582	4.6
231.10083	1.8
232.12343	1.4
233.09656	2.3
235.11284	2.1
237.09050	1.8
237.12775	3.4
239.10536	3.0
240.11369	1.7
241.08575	2.0
241.12141	3.5
242.13081	1.4
243.10179	4.8
249.09088	2.0
250.09772	1.7
251.10649	4.8
252.11397	1.7
253.08611	2.7
253.12285	2.5
254.09300	1.4
255.10149	2.6
255.13805	5.0
260.12167	1.7
263.10806	2.1
263.14456	2.0
264.11411	2.4
265.12222	3.9
265.15927	3.8
267.10220	2.1
267.13718	1.7
268.11172	1.5
269.11743	4.3
269.15332	5.6
275.14270	2.6
278.12973	3.3
279.06537	3.2
281.11716	4.2
281.15085	1.7
282.12415	2.1
283.13293	9.5
283.16956	14.2
293.15274	10.7
296.14072	6.1
297.07739	2.2
301.14371	18.6
301.17761	2.9
311.16388	37.4
312.16895	2.0
329.17456	100.0
330.17758	8.3
347.07587	5.7
347.18512	61.9
348.18781	5.1
348.22702	3.1
367.33832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1852
Annotation	Secochiliolide acid
Peak:m/z	Relative Intensity
53.03939	2.9
55.01857	2.9
55.05505	7.8
65.16178	1.7
67.05500	11.9
69.03423	11.7
69.07053	7.1
70.84745	3.5
78.70214	2.0
79.05473	12.5
81.03398	2.7
81.07056	20.7
81.31541	2.0
83.04975	4.4
83.08601	4.5
85.06521	2.8
91.05470	16.4
93.07043	17.0
95.04961	7.1
95.08614	16.8
97.02882	17.6
97.06512	4.8
105.07010	17.6
107.04956	4.4
107.08604	18.3
108.08950	1.6
109.06516	7.3
109.10146	7.4
113.02346	3.3
113.44772	2.0
115.05483	3.1
115.95841	1.6
117.07028	6.3
119.04949	2.2
119.08582	18.7
121.06503	3.7
121.10130	20.8
123.08035	6.6
123.11716	9.1
125.02363	16.7
128.06223	3.1
129.07027	5.2
131.08513	10.2
133.06474	3.2
133.10117	18.6
135.08003	10.2
135.11702	6.1
137.05942	2.2
137.09657	2.9
141.06943	3.2
142.07741	4.8
143.03377	7.6
143.08543	7.5
145.06487	2.7
145.10109	22.2
147.08066	5.4
147.11661	9.1
149.05974	2.2
149.09650	10.9
149.13222	3.3
151.11227	2.0
155.08487	5.0
156.09244	2.5
157.10091	10.5
159.08043	4.7
159.11688	12.4
161.09583	8.8
161.13271	13.8
163.11140	7.8
163.14764	5.7
167.08609	2.6
168.09340	1.7
169.10139	4.2
170.10851	2.5
171.08112	3.5
171.11670	8.5
173.09630	6.9
173.13251	9.2
174.14037	2.2
175.11183	6.2
175.14847	6.6
177.09035	2.0
177.12732	2.2
177.16379	15.9
181.10074	2.8
183.11711	5.4
185.09654	4.0
185.13257	3.6
187.11159	3.8
187.14815	9.4
189.09000	2.2
189.12712	2.9
191.14143	2.2
195.11684	4.8
197.13277	5.2
198.14000	2.8
199.11064	4.6
199.14713	2.4
201.09062	6.2
201.12721	7.1
203.14297	16.5
205.15863	47.6
206.16226	2.7
208.12637	1.8
209.13242	2.2
213.12611	2.2
213.16335	2.6
215.14337	2.4
216.15056	3.9
217.15862	4.9
227.10675	3.2
227.17975	2.3
237.16333	2.3
241.12247	2.5
241.15796	4.7
247.09602	7.5
255.10310	1.7
255.17381	4.1
259.13248	2.0
259.16873	3.2
261.14603	9.1
265.15829	2.4
269.15308	2.7
273.14935	3.7
273.18423	2.2
283.16888	7.8
285.14856	2.2
287.16483	10.2
301.17847	8.6
305.17447	4.6
311.16263	8.6
312.27179	1.7
314.06912	2.9
329.17465	24.3
347.10730	12.1
347.18320	100.0
348.10464	3.9
348.18790	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	347.1853
Annotation	[4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid
Peak:m/z	Relative Intensity
51.02381	1.5
53.03939	6.2
55.01873	8.3
55.05507	13.0
57.03426	3.3
57.07066	1.6
59.04993	1.0
65.03941	4.3
67.05157	1.7
67.05502	24.6
67.44106	0.9
68.05804	1.1
69.03427	45.8
69.03802	2.4
69.07055	8.4
69.83035	2.3
69.83430	2.0
71.01352	2.0
71.04980	4.5
77.03930	3.1
79.05489	36.0
81.03413	100.0
81.07050	31.6
83.04975	35.3
83.08594	1.5
85.02892	3.8
85.06538	2.2
91.05476	48.1
93.03374	1.3
93.07047	32.0
95.04964	28.5
95.08604	20.1
97.02901	1.5
97.06532	6.4
99.04440	2.9
103.05461	8.4
105.03416	2.1
105.04520	2.4
105.07023	52.2
107.04944	9.6
107.08587	32.4
108.08927	1.2
109.02847	3.9
109.05774	1.4
109.06516	24.0
109.10146	3.5
111.04439	24.4
111.08051	6.4
113.05997	9.4
115.05431	8.7
116.06268	2.2
117.07011	27.5
119.04951	6.5
119.08574	38.8
120.08888	1.0
121.06504	23.4
121.10127	12.5
123.04388	2.4
123.08060	12.7
123.11761	1.1
125.04532	1.2
125.05993	4.5
125.09628	2.5
127.07551	2.5
128.06230	9.1
129.06996	17.8
129.07866	2.0
130.07782	2.4
131.04945	6.7
131.08560	47.8
133.06471	13.7
133.10121	19.8
135.04395	2.0
135.08035	28.5
135.11716	3.3
137.05963	6.2
137.09630	3.7
139.07567	1.9
141.06964	10.8
142.07790	12.7
143.08546	25.9
144.05701	1.5
144.09291	4.8
145.06490	13.9
145.10120	35.5
147.04471	1.7
147.08040	20.3
147.11671	9.8
149.05975	4.5
149.09618	16.3
149.13202	5.5
151.07571	3.0
151.11160	2.5
153.05650	1.3
153.06993	4.9
153.09030	1.9
154.07756	4.4
155.08539	18.2
156.09331	10.1
157.06476	4.0
157.10100	25.1
158.07236	2.4
158.10851	4.2
159.08044	19.5
159.11681	23.5
160.08710	1.4
161.05980	1.9
161.09601	15.1
161.13251	4.6
163.07559	5.3
163.11230	4.0
163.14899	1.5
165.06982	5.3
165.09096	4.7
166.07791	4.5
167.08516	8.2
168.09341	9.1
169.06508	3.1
169.10117	13.8
170.10768	1.5
171.08070	7.3
171.11682	12.0
172.08810	3.0
173.06139	1.4
173.09613	17.3
173.13252	28.0
174.10234	1.6
174.13538	2.5
175.07573	2.2
175.11182	18.7
175.14815	2.6
177.09090	3.3
177.12733	11.4
178.07791	3.0
179.07167	1.3
179.08525	5.0
179.10692	2.1
180.09259	2.5
181.06468	1.7
181.08632	2.5
181.10071	11.1
182.07277	1.4
182.10820	1.8
183.08070	5.0
183.11665	13.3
184.08815	3.6
185.09628	11.0
185.13261	4.3
186.10277	1.7
187.07565	2.3
187.11124	9.3
189.07365	1.1
189.09135	3.8
189.12718	11.3
191.10655	5.0
191.14293	3.8
192.09328	2.7
193.10092	4.8
193.11926	1.2
195.06430	1.4
195.08038	3.2
195.11687	8.7
195.13780	6.4
196.08798	1.9
196.12337	1.3
197.09627	6.1
197.13342	2.8
199.11180	15.5
201.09190	2.6
201.12724	26.9
202.13152	1.5
203.08714	1.5
203.10660	5.1
203.14348	3.7
204.09166	1.1
205.10306	1.7
205.12228	3.6
206.10945	3.0
207.10062	2.8
207.11734	3.1
207.13731	2.2
208.12419	1.3
209.09642	4.4
209.13255	2.7
210.10265	1.3
211.11145	5.8
211.14812	2.2
213.09239	1.4
213.12701	4.1
215.10759	2.5
215.14313	2.4
217.10262	1.8
217.12177	14.5
219.11813	1.4
219.13783	31.7
220.14125	3.2
221.09622	2.0
221.13268	3.0
223.11234	5.6
223.14824	3.8
225.12697	5.4
227.14403	1.8
229.12212	8.9
232.12410	2.2
233.15350	1.3
234.10129	1.4
235.11250	1.6
235.13248	8.1
237.12697	1.8
237.14783	18.2
239.14359	4.6
241.12219	2.1
241.15839	1.5
243.13860	3.2
243.77652	1.2
247.13176	17.4
248.28146	1.3
249.12712	3.8
251.14305	4.0
253.16008	1.5
255.13870	2.2
255.17355	1.4
261.14996	2.2
265.14261	74.6
266.14737	5.5
267.13797	2.4
269.15253	2.8
275.14249	3.1
275.57611	1.2
281.15448	2.8
283.16904	7.0
285.14975	2.6
293.15329	4.5
299.16452	2.5
301.17911	2.8
311.16391	14.4
329.17416	36.2
330.17831	3.1
347.18494	78.5
348.18896	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	347.1854
Annotation	[4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid
Peak:m/z	Relative Intensity
51.05554	1.5
53.03942	7.9
55.01871	6.0
55.05507	13.7
57.03435	3.6
57.07076	9.8
58.06602	2.1
61.82061	1.5
65.00771	1.6
65.03941	4.3
66.50847	2.0
67.05499	25.4
69.03059	3.8
69.03423	49.1
69.07065	11.0
70.06590	19.6
70.81131	2.4
71.04988	4.3
71.06937	2.0
71.08635	2.8
77.03913	3.2
79.05489	32.1
81.03414	96.1
81.07054	29.4
83.04974	40.0
83.08605	1.7
85.02873	3.0
85.06529	4.5
87.97325	1.6
88.07136	2.2
88.07627	28.1
89.07927	2.0
91.05472	49.2
93.07043	32.9
95.04966	34.5
95.08597	21.2
97.02885	3.5
97.06522	6.2
99.04434	3.1
102.09167	13.5
103.05458	7.2
105.03392	2.4
105.04504	3.0
105.07018	58.7
107.04952	11.4
107.08581	31.9
109.02870	4.2
109.06514	28.8
109.10130	5.0
111.04437	24.2
111.08086	6.6
112.07569	1.9
113.06004	9.6
115.05474	6.1
116.06282	1.8
117.07023	29.6
119.04920	7.9
119.08569	47.5
121.02824	1.7
121.06485	22.6
121.10139	10.8
123.04432	2.9
123.08070	14.3
125.05975	3.8
125.09580	2.8
127.07576	2.2
128.06190	10.5
129.06992	20.4
130.07800	3.3
131.04945	6.8
131.08551	51.9
133.06496	11.1
133.10114	25.9
135.04434	3.1
135.08035	30.9
137.06003	10.3
137.09636	2.7
139.07625	2.6
141.06975	11.0
142.07762	8.9
143.08528	27.9
144.09348	4.3
145.06464	16.2
145.10126	34.7
147.04385	3.0
147.08037	25.0
147.11673	12.3
149.05963	4.0
149.09596	18.6
149.13269	3.8
153.07021	4.9
154.07719	2.2
155.05962	2.4
155.08524	17.4
156.09305	9.3
157.06561	4.4
157.10127	31.5
158.07236	2.8
158.10835	2.4
159.08058	24.6
159.11671	30.8
161.05914	2.8
161.09642	13.9
161.13234	3.5
163.07498	4.6
163.11188	6.5
165.05574	2.3
165.06987	4.6
165.09117	5.1
166.07773	2.4
167.08542	7.4
168.09337	7.4
169.06483	3.1
169.10184	11.3
170.10857	2.0
171.08098	8.7
171.11682	14.7
173.09610	22.1
173.13246	31.1
175.07559	3.5
175.11165	22.1
177.09131	6.3
177.12764	14.2
178.07832	2.3
179.08534	5.9
179.10684	3.7
180.09160	2.8
181.06461	2.3
181.10100	11.9
182.10803	3.7
183.08040	7.9
183.11656	19.6
184.08698	2.4
185.09544	10.9
185.13249	4.3
187.07458	3.5
187.11177	8.5
189.09132	3.2
189.12741	14.6
191.08705	1.7
191.10622	5.2
191.14301	5.8
192.09326	2.8
193.10156	5.9
193.12129	2.1
194.10890	3.4
195.08044	5.6
195.11734	6.8
195.13828	7.6
196.08762	3.5
196.12308	2.5
197.09615	4.1
197.13246	4.7
199.11151	18.0
201.09067	3.2
201.12729	34.4
203.10706	6.5
203.14346	4.9
205.10243	2.2
205.12248	4.4
206.10815	3.0
207.10019	2.5
207.11708	5.9
207.13724	2.4
209.09547	4.2
209.13235	3.6
211.11174	6.2
213.09039	2.5
213.12689	5.0
215.10608	2.2
215.14378	2.5
217.10194	3.7
217.12175	19.1
219.11722	1.7
219.13757	36.9
221.13237	4.6
223.11159	5.2
223.14824	2.8
225.12732	5.5
227.10521	2.1
229.12134	8.7
235.11345	2.0
235.13127	8.4
237.12646	3.4
237.14696	19.1
239.14333	3.7
241.12169	3.3
243.13771	4.2
247.13130	20.4
249.12779	3.0
251.14348	3.4
265.14258	86.7
266.14685	3.4
267.13821	5.0
281.15378	3.3
283.16959	5.4
284.29474	27.0
285.14880	4.4
285.29800	20.6
293.15414	5.4
299.16278	4.0
301.18002	2.7
311.16382	18.1
329.17459	40.8
330.17688	2.5
346.33127	57.0
346.37372	2.8
347.18503	100.0
347.33450	59.4
348.18762	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	347.1852
Annotation	[4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid
Peak:m/z	Relative Intensity
53.03938	7.5
55.01864	5.7
55.05509	12.9
55.16972	3.1
57.03437	5.7
57.07056	4.4
65.03933	3.2
67.05500	31.8
68.52108	3.4
69.03424	38.9
69.07053	15.7
69.47559	16.6
71.01343	3.4
71.04987	5.2
75.07114	3.3
79.05494	33.8
81.03412	89.6
81.07045	42.7
83.04977	40.8
85.06563	3.5
91.05471	56.0
93.07037	43.1
95.04971	29.5
95.08589	34.1
96.27886	3.7
97.02897	4.6
97.06532	13.0
103.05470	6.6
105.04510	4.5
105.07025	72.2
107.04953	13.1
107.08592	43.0
109.06519	28.7
109.10152	13.2
111.04412	21.0
111.08031	5.4
113.06001	11.8
115.05422	4.9
116.06274	3.5
117.07012	29.3
119.04896	9.2
119.08574	47.9
121.06487	21.9
121.10136	18.8
123.08079	22.5
123.11652	4.2
124.57885	3.2
125.02438	3.4
125.09593	4.4
128.06204	7.7
129.06995	18.9
130.07814	7.5
131.04918	8.8
131.08562	48.5
133.06517	9.0
133.10107	25.2
135.08049	39.7
135.11678	9.8
137.05965	7.1
137.09624	10.1
141.05470	3.7
141.06967	15.2
142.07782	11.2
143.08536	26.2
144.09367	4.1
145.06488	15.3
145.10133	43.4
147.04393	6.9
147.08025	18.2
147.11639	18.3
149.05937	6.5
149.09625	20.2
149.13298	4.4
151.07494	7.1
153.06931	5.8
155.08507	17.9
156.09317	8.4
157.06453	4.1
157.10127	39.3
159.08023	23.8
159.11697	32.8
161.09593	19.6
161.13234	8.0
163.07469	7.2
163.11249	7.8
165.07008	9.8
165.09059	6.4
167.08539	9.5
168.09393	6.2
169.10115	17.1
171.08067	6.5
171.11664	18.6
173.09633	23.7
173.13269	32.6
175.07646	4.1
175.11241	22.8
177.09122	4.9
177.12726	12.4
177.16391	4.2
179.08440	6.2
181.10123	16.6
183.11719	15.2
185.09587	10.4
185.13231	8.3
187.11197	15.5
189.09119	7.0
189.12758	15.2
191.10635	8.8
193.10185	8.0
195.11650	7.6
195.13673	3.9
196.08772	4.5
197.09644	6.8
197.13252	5.5
199.11166	11.6
201.12692	29.2
203.10641	8.8
203.14275	8.8
205.15889	10.7
207.13728	7.9
209.09700	5.6
211.11203	7.0
215.10619	5.1
217.12306	14.2
219.13802	28.4
223.11125	4.6
225.12781	5.9
227.14261	6.1
229.12221	6.9
233.11603	5.2
235.13268	9.3
237.12807	5.7
237.14726	22.7
239.14305	4.9
247.13284	12.1
253.15784	4.2
265.14230	66.7
269.15308	5.2
283.16861	8.8
293.15164	4.6
301.17868	8.9
305.17377	4.2
311.16452	17.2
329.17520	48.8
347.10220	11.8
347.18481	100.0
347.22565	8.2
348.18808	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	348.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17936	0.8
55.01871	0.9
56.05033	5.0
57.03428	1.0
63.84824	0.8
68.99804	2.4
69.03436	2.5
70.06598	4.3
70.53144	1.7
72.04521	7.5
72.08154	1.2
81.03420	1.9
83.03780	0.8
84.04486	1.3
84.08147	1.1
85.02891	4.9
89.31371	0.8
91.05476	2.6
91.69677	0.9
95.01319	1.6
95.04985	1.6
96.04504	3.1
97.02888	2.5
100.07604	1.0
109.02896	1.9
110.03163	1.0
110.06030	1.3
111.03201	1.2
119.04935	3.0
121.02922	0.8
121.06534	2.2
124.03931	1.5
127.03880	1.5
138.01845	6.5
138.05507	3.5
140.03450	3.5
144.02000	0.8
147.04407	0.9
148.03850	0.9
150.01889	1.6
151.07539	14.3
152.03452	5.5
163.03873	1.2
165.01871	1.4
166.01222	4.8
166.05022	7.5
167.02148	15.2
167.03419	1.5
168.02924	6.4
170.04474	4.1
184.06070	1.1
185.00900	0.9
185.03185	5.4
187.03917	2.3
188.05560	2.0
194.04485	39.3
195.04832	1.0
208.49780	0.8
211.02376	14.5
212.02718	15.0
212.05539	100.0
213.05852	4.1
239.45624	0.9
241.04926	1.3
256.06110	2.7
257.06870	1.0
284.05539	13.0
285.06314	37.1
286.06696	2.3
303.07635	2.0
312.08670	1.6
330.06863	1.0
330.09769	22.8
331.10187	1.3
348.10818	49.0
349.11188	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28510	0.6
62.88839	0.6
64.99956	0.6
70.06592	1.1
70.67615	1.0
73.02892	0.8
85.02888	2.1
94.04176	3.0
104.99274	0.7
113.02440	0.8
122.03652	5.6
136.06189	1.4
137.05974	100.0
138.06305	2.8
166.77802	0.8
173.36130	0.7
186.14781	0.7
196.34535	0.6
234.73712	0.6
261.10733	0.6
325.02051	1.0
348.22510	2.7
349.09311	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	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93219	3.5
65.03936	16.6
69.03442	10.0
70.06587	14.5
70.90919	4.4
75.55202	3.6
80.64594	4.1
84.08116	5.7
85.02898	26.2
86.09694	9.5
93.03414	22.5
97.02888	12.3
104.05298	7.4
110.03696	4.2
111.04435	44.4
116.07104	10.4
119.04976	7.8
125.05980	33.3
127.03933	7.1
129.10197	4.5
136.06174	32.5
147.04396	37.2
151.03893	20.9
157.67645	4.0
165.87000	3.7
169.04964	100.0
175.11937	5.2
201.12349	5.6
211.02385	7.7
276.07748	3.9
310.21152	3.9
331.08231	5.4
348.17026	17.7
349.05377	6.4
349.08984	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	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15046	0.6
55.00291	0.7
55.01874	1.1
56.05024	1.4
56.32799	0.6
57.03424	1.7
58.38593	0.6
60.58829	0.5
61.02921	1.9
65.03928	1.4
69.03432	4.6
70.48573	1.0
72.04531	1.0
73.02914	0.9
81.03409	2.4
85.02409	1.1
85.02903	19.9
85.03416	1.0
91.05476	17.1
95.04958	2.6
96.04470	1.7
97.02901	5.0
109.02869	1.6
119.04941	14.8
119.05740	1.2
127.03904	2.7
136.05177	2.3
137.05931	0.8
138.01833	1.4
138.05534	0.8
142.04970	0.7
145.04970	2.6
151.07538	100.0
152.07913	3.1
165.09134	1.2
166.05017	1.3
167.02139	2.3
169.08597	7.8
170.08925	0.6
180.08630	1.1
181.08615	0.9
189.09174	1.3
193.08643	1.0
194.04477	5.4
211.02408	1.2
212.02635	1.4
212.05536	12.6
214.05309	0.6
284.05542	1.9
285.06277	4.9
330.09738	3.0
330.13315	0.9
348.10822	4.9
348.22623	3.8
349.11218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77478	1.6
50.95436	1.6
55.01864	4.4
55.05505	26.1
56.79766	1.8
57.03442	5.5
57.07063	2.0
57.47850	2.1
59.05008	2.3
62.37729	1.8
67.05499	74.4
69.03427	4.0
69.07065	15.3
71.04987	3.2
71.08636	8.5
79.05489	17.9
80.05825	1.9
81.03413	5.1
81.07050	38.7
82.03700	2.0
83.04964	8.9
83.08623	16.1
85.06553	3.6
90.96771	3.2
91.05470	17.6
93.07035	25.2
95.04960	4.5
95.08601	23.6
97.06504	4.7
97.10176	12.5
99.08087	5.6
105.07049	13.0
107.08601	16.8
109.06506	2.1
109.10150	59.9
111.04470	2.9
111.08104	5.7
113.06072	1.8
117.07004	4.4
119.08562	12.4
121.10146	7.2
123.11694	3.9
125.09618	11.7
131.08591	5.1
133.10091	9.1
134.10519	1.9
135.08022	3.5
135.11711	4.1
137.09613	6.9
143.08607	2.3
145.10130	6.2
147.11679	5.0
149.09645	2.7
149.13251	9.0
151.11183	6.4
155.10640	15.1
157.10060	2.7
159.11708	8.3
161.13313	4.3
163.11226	2.2
173.11726	100.0
173.12994	3.9
174.12059	2.3
175.11177	2.0
177.12769	2.1
179.14326	2.9
189.11238	13.3
195.13759	16.2
213.14857	8.5
257.19077	2.3
259.20532	3.9
266.14679	3.7
275.20273	2.1
277.21606	24.1
295.22653	9.8
348.18549	9.5
349.19751	10.0
349.23883	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	349.0897
Annotation	Pibocin B
Peak:m/z	Relative Intensity
51.77895	2.6
52.05053	2.8
55.01882	3.8
55.33009	2.2
55.70932	3.1
56.05022	2.8
61.01141	2.5
69.03441	6.7
70.06584	10.1
70.92297	3.4
73.02891	3.5
79.86958	2.7
84.08134	6.6
91.05519	3.8
95.27451	2.7
97.02876	8.2
98.97587	6.3
116.98632	4.2
119.04936	10.0
133.20511	2.5
137.02245	4.2
147.04396	41.9
149.04176	2.9
152.98767	3.1
158.09312	3.5
164.96570	2.7
165.01811	3.3
165.46159	2.9
167.03450	3.6
172.93611	2.7
183.05115	2.6
185.04239	3.1
187.02393	6.2
193.01274	2.8
211.02393	9.3
229.03505	4.3
237.02901	3.7
247.04704	3.9
262.82727	2.6
273.41547	2.7
280.47311	2.6
298.28577	2.9
319.78302	2.7
336.33057	2.7
349.09082	100.0
349.14471	7.6
350.09406	8.7
364.91846	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	349.0927
Annotation	1,7-Dihydroxy-2,3,4,5-tetramethoxy-xanthone
Peak:m/z	Relative Intensity
63.08942	0.4
69.85087	1.0
86.81139	0.4
98.22690	0.5
109.45044	0.6
158.42381	0.5
163.03745	0.4
175.57848	0.4
288.16156	0.5
331.08145	4.4
349.09241	100.0
350.09613	3.8
365.34589	0.5
368.73972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.2
55.05500	15.4
56.96551	13.9
57.03425	16.6
67.05501	32.5
69.07070	24.1
69.35744	4.5
69.75194	5.4
77.01299	5.2
79.05476	34.7
80.56874	4.7
81.03392	27.3
81.07050	45.2
83.04988	7.7
91.05458	39.9
93.07056	44.2
95.04954	18.1
95.08607	33.2
102.84909	4.7
103.93787	5.0
105.07025	42.4
107.04945	10.7
107.08587	36.8
109.06506	12.7
109.10129	12.8
117.07047	10.3
119.08584	20.9
121.06493	18.4
121.10131	21.3
123.08054	10.0
127.03886	10.9
129.06989	8.7
130.01122	4.7
131.08548	18.8
133.10136	18.1
135.08090	7.6
135.11708	8.9
141.10632	5.8
143.08572	7.6
145.10132	20.0
147.11694	19.2
149.09587	10.2
151.11142	7.0
157.10136	8.6
159.11684	17.3
171.11905	9.1
173.09679	6.1
176.11385	5.3
177.09070	6.1
203.68861	5.3
205.15878	10.2
219.13741	5.1
231.21037	5.0
235.55460	5.4
257.19006	21.6
269.10678	10.0
275.20026	100.0
293.21179	5.1
331.24094	5.1
349.17526	16.9
349.23984	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11749	17.6
55.05495	30.6
56.96552	74.9
57.03424	32.8
67.05494	37.7
69.07067	35.4
71.43254	22.0
74.53857	18.1
79.05497	47.3
81.07053	61.0
91.05476	53.8
93.07043	53.5
95.08625	34.7
105.07046	47.3
107.08539	24.0
109.06464	20.1
119.08616	30.1
131.08560	34.0
133.10152	19.0
143.08513	21.0
145.10155	28.7
147.11635	23.7
159.11699	25.6
205.88428	18.8
248.72395	24.0
267.09201	21.8
269.10654	39.7
275.19992	100.0
349.17535	62.1
349.24438	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	349.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75379	20.7
55.05505	26.5
55.66172	18.4
56.96557	45.3
67.05487	30.9
69.07048	21.8
71.43030	31.9
74.67541	19.4
79.05486	38.6
81.07059	57.9
91.05458	63.1
93.07030	57.7
95.04924	22.2
95.08578	25.9
105.07024	43.6
107.04994	28.6
107.08585	58.3
109.06438	23.4
117.07022	28.9
119.08547	31.7
121.06497	26.8
121.10095	30.6
127.01508	22.9
131.08560	42.4
133.10138	40.5
135.08051	20.6
142.79053	19.8
145.10040	34.0
147.11659	28.9
159.11642	24.0
159.86443	22.7
199.06627	23.2
201.63127	20.4
217.07419	22.2
223.16849	20.0
254.19624	23.2
269.10492	31.7
275.20050	100.0
282.18652	21.3
285.10083	36.5
327.03180	24.5
327.57382	21.9
349.17426	89.5
349.24756	75.9
367.18030	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1773
Annotation	Funebrine
Peak:m/z	Relative Intensity
55.05515	9.1
56.96559	16.5
66.54716	5.0
67.05494	17.8
69.07062	16.4
70.38088	14.0
79.05489	35.9
81.07057	58.4
91.05482	23.9
93.07044	18.5
95.04964	8.0
95.08606	17.0
98.08308	4.9
105.07009	26.8
107.08582	17.7
109.06520	22.8
109.10162	10.2
109.90807	5.2
118.51636	5.1
119.08584	15.3
121.10148	8.8
127.01550	10.8
128.98601	6.5
131.08510	12.1
133.10133	14.4
143.63052	4.8
145.10097	12.5
147.11682	15.1
149.13303	6.2
155.08527	5.6
157.10106	10.1
159.11691	10.6
169.10188	7.2
173.13260	9.0
195.11661	6.4
197.13261	9.0
213.16541	5.4
236.06435	5.4
243.09073	11.8
255.09245	7.0
261.10025	9.3
275.20303	10.8
298.20544	5.4
321.25714	5.9
331.15756	57.3
349.16666	100.0
349.25031	48.8
367.18045	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13150	1.9
52.92577	2.1
53.03927	4.4
53.16564	1.9
55.01880	9.6
55.05508	49.8
56.96566	20.7
57.03434	19.4
65.03918	3.7
66.28600	1.9
67.05159	3.6
67.05503	59.3
69.03430	5.0
69.07063	21.6
69.13690	13.3
71.04990	14.5
77.03916	2.4
79.05487	100.0
81.03417	6.9
81.07054	46.8
83.04971	26.2
83.08632	9.9
85.06519	2.3
91.05477	52.7
92.05782	2.6
93.07039	62.2
95.01340	3.1
95.04958	18.7
95.08598	26.0
97.06519	9.5
97.10171	13.9
97.96804	3.0
98.22728	5.0
99.08110	2.4
105.03419	2.7
105.07023	48.4
107.04955	25.1
107.08589	56.5
109.06512	11.9
109.10159	22.7
111.08092	3.7
114.74275	1.9
115.05460	3.2
117.07027	17.7
119.08571	29.3
121.06518	3.9
121.10142	24.4
123.08064	6.7
123.11706	4.3
125.05994	2.6
125.09636	12.2
127.01565	13.4
129.06966	3.7
131.08580	22.6
133.10112	30.9
135.08026	8.5
135.11687	7.0
137.09612	3.4
143.08568	5.7
145.10117	21.9
147.11694	15.6
149.05986	4.5
149.09595	42.2
149.13274	2.4
151.11180	2.3
153.09131	4.2
155.08475	4.2
157.10109	4.8
159.11674	14.5
161.13312	5.8
163.11162	4.7
163.14813	6.3
169.10139	2.8
169.12270	4.8
171.11742	5.1
173.11743	5.2
173.13271	8.2
177.12798	2.4
179.14281	5.7
183.11757	2.7
187.08905	3.0
187.11156	2.3
187.14813	2.7
189.11214	5.4
191.14316	3.7
197.04738	2.1
197.13158	2.7
199.06345	2.6
209.15349	5.7
213.07950	9.5
217.07359	4.3
218.01843	2.2
223.06512	6.9
229.07411	11.3
229.15909	2.4
229.19434	4.4
231.09013	8.7
239.17960	3.3
243.09102	7.1
247.08531	6.7
247.20547	3.3
257.18912	14.2
261.10062	3.1
275.20062	37.9
321.08612	3.0
331.15805	10.9
346.39914	2.2
349.16724	25.0
349.23480	33.0
367.17828	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37848	12.6
67.05476	18.5
69.16918	100.0
70.44427	14.6
79.05505	15.1
81.07058	27.9
90.52825	13.8
91.13940	15.2
93.07034	21.9
95.08600	16.9
98.23447	26.1
107.08572	27.9
109.11039	14.5
126.68575	14.2
147.11725	16.4
200.43690	14.5
265.89569	15.6
273.49509	16.6
348.33569	36.8
349.17520	37.2
349.23563	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
52.69903	0.5
55.05502	1.3
61.78059	0.5
64.79516	0.5
65.19970	0.5
67.05510	1.4
71.42771	0.7
79.05473	0.9
81.03407	1.0
81.07056	2.3
90.96775	2.1
91.05476	1.9
93.07027	1.1
95.04988	0.6
95.08590	1.1
105.07030	2.9
107.08578	1.6
109.06495	0.7
119.08596	1.6
131.08569	2.0
133.10135	1.6
135.13577	0.5
143.08572	0.6
145.10112	3.1
147.11668	1.0
148.63435	0.5
159.08011	0.6
159.11650	1.1
163.85245	0.5
193.60197	0.5
216.45433	0.6
257.19061	1.6
275.20074	1.5
321.08899	0.6
329.38657	0.6
331.13019	0.6
331.18832	0.6
349.19830	100.0
350.20190	6.2
350.28839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38767	0.4
65.36951	0.4
65.73428	0.3
67.05473	0.3
67.14948	0.3
70.92200	0.3
70.92954	0.5
91.05457	0.5
91.26530	0.3
102.65538	0.4
105.07031	0.7
112.16637	0.4
130.57114	0.3
137.05684	1.8
160.05533	0.3
167.63647	0.4
221.11537	0.5
261.14630	0.6
280.12802	1.2
349.19830	100.0
350.20169	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	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.5
57.03416	0.7
58.27606	0.4
61.28015	0.4
67.05492	0.7
69.07059	0.5
69.65282	1.3
69.65662	0.9
74.95895	0.4
79.05504	0.9
90.96751	1.7
91.05474	1.8
93.07054	0.7
95.08620	0.6
105.07011	1.4
107.08569	0.9
117.07008	0.7
119.08572	0.6
131.08527	0.8
133.10153	0.6
137.05753	3.3
145.10150	1.1
147.11667	0.5
157.10085	0.6
159.11731	0.5
173.13268	0.7
221.11513	1.1
235.13084	1.6
275.20190	0.6
286.27469	0.6
331.15860	1.8
348.31036	1.4
349.19846	100.0
349.30963	2.2
350.20172	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2007
Annotation	Longirabdolide E
Peak:m/z	Relative Intensity
53.03939	0.8
55.05504	3.4
57.07051	1.2
59.04980	1.4
65.03904	0.6
67.05499	8.3
69.03419	2.6
69.07063	7.9
79.05499	5.8
81.07049	16.8
83.04969	1.1
83.08602	2.5
87.04503	0.7
89.06017	3.2
91.05466	6.4
93.07037	8.7
95.04957	4.8
95.08603	16.0
97.02857	1.0
97.06512	1.5
99.03294	1.1
105.07023	10.5
107.04929	3.5
107.08578	11.2
109.06521	4.7
109.10150	12.4
110.08644	0.7
117.07005	2.7
119.08571	26.1
121.04547	2.4
121.06487	10.0
121.10121	6.0
123.08036	4.5
123.11690	14.6
124.12074	0.8
125.02342	1.5
125.05982	0.8
127.01543	4.1
129.06967	1.1
131.08566	3.3
133.06496	2.0
133.08603	0.9
133.10114	9.1
135.04413	1.6
135.08026	6.5
135.11690	2.6
137.05928	1.3
137.09598	9.3
142.07802	0.8
143.05818	0.8
143.08543	3.2
145.10112	6.8
147.04445	0.8
147.08057	1.6
147.11691	3.5
149.05881	1.6
149.09599	2.9
149.13255	1.2
151.07542	0.9
151.11157	9.4
153.03107	5.1
153.05455	1.5
155.08554	1.0
157.10187	3.8
157.11282	0.8
159.08044	1.6
159.11661	7.6
161.05969	1.4
161.09625	2.5
161.13248	2.4
163.07484	1.4
163.11151	5.8
165.05516	1.1
169.10147	2.9
171.11629	2.2
173.09688	1.3
173.13257	3.8
175.11050	1.3
175.14825	1.1
177.05428	1.1
177.12685	1.0
178.13533	3.1
179.06990	3.1
183.11699	3.4
185.09625	1.3
185.13210	2.3
187.07588	0.8
187.11122	2.5
187.14731	1.5
189.09045	1.3
189.12779	1.2
191.07060	1.1
191.10759	0.7
191.14302	5.0
197.05795	1.0
197.13266	2.2
201.09172	1.4
201.12718	1.2
201.16336	5.0
203.10652	2.0
205.08588	0.7
205.15773	1.3
206.16684	3.0
211.11038	1.9
211.14783	1.1
215.10712	2.0
218.48642	0.8
219.13815	0.9
223.14943	0.8
225.12714	0.9
225.16353	1.9
229.12270	2.2
229.19403	0.9
231.10179	1.2
233.11899	1.0
239.10635	0.9
239.17896	1.6
241.19492	1.0
243.09949	1.6
243.13789	1.3
249.11278	2.6
253.12201	1.3
253.15979	0.7
257.11719	1.4
257.18997	2.6
261.11050	1.4
267.17413	3.1
271.13632	0.8
271.16809	1.1
275.12720	13.2
285.18506	8.1
286.18695	1.1
289.17920	4.7
295.16879	4.2
303.19531	4.5
313.17981	9.0
321.08728	0.7
331.19000	100.0
332.19202	5.5
349.20074	17.9
350.20355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2009
Annotation	Longirabdolide E
Peak:m/z	Relative Intensity
55.05507	4.3
67.05504	13.2
69.03426	3.2
69.07076	7.7
69.60720	3.6
79.05494	8.6
81.07055	20.4
83.04992	1.8
83.08628	2.5
91.05486	8.6
93.07038	10.6
94.14176	1.0
95.04971	5.0
95.08602	18.3
97.02922	1.3
97.06527	2.6
98.22654	1.8
105.07028	14.5
107.04974	4.2
107.08585	13.8
109.06521	4.0
109.10160	15.8
109.52422	1.0
111.08163	1.1
117.07035	2.6
119.08577	25.9
121.06488	11.5
121.10120	5.7
123.04384	1.1
123.08056	7.6
123.10873	2.1
123.11704	15.3
125.02349	1.6
127.27550	1.2
129.06978	1.7
131.08578	4.3
132.09335	1.2
133.06572	2.2
133.10086	8.9
135.04398	2.0
135.08043	8.2
135.11713	1.7
137.06030	1.7
137.09602	10.2
141.06918	1.3
143.08586	3.2
145.06557	1.3
145.10123	8.3
147.08034	2.1
147.11664	5.2
149.05972	1.5
149.09637	2.7
149.13191	1.6
151.07605	1.7
151.11179	10.3
153.05417	1.3
155.08646	1.3
157.10132	4.4
159.08069	2.5
159.11696	7.0
161.06015	2.2
161.09648	1.5
161.13284	3.8
163.11179	6.1
169.10204	3.7
171.11761	2.4
173.06007	1.6
173.09686	1.1
173.13254	3.0
175.11269	2.0
177.05492	1.5
177.09131	1.9
178.13542	3.9
179.07053	3.9
183.11714	2.5
185.04239	1.1
185.09659	1.8
185.13245	2.4
187.11189	2.0
187.14821	2.2
191.14304	6.1
197.13329	1.8
201.09161	1.8
201.12793	2.3
201.16302	7.0
203.10724	1.8
205.04922	1.5
206.16667	4.3
207.11873	1.1
215.10695	2.4
229.12248	1.4
243.13882	1.7
249.11160	2.1
257.11880	1.9
257.19012	3.4
267.17456	2.3
275.12793	12.0
285.18433	8.2
289.18015	4.0
295.16943	3.2
303.19437	5.4
313.17926	10.5
331.19028	100.0
332.19406	5.4
340.02176	1.1
349.08295	2.3
349.12637	37.3
349.19977	23.3
349.24506	1.8
350.12970	2.5
350.20596	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	349.2009
Annotation	18-oxo-Resolvin E1
Peak:m/z	Relative Intensity
55.01883	0.6
57.37467	0.4
60.22739	0.4
67.05513	0.9
69.07077	0.4
69.15703	2.3
74.49187	0.4
79.05486	2.4
81.07050	1.0
91.05478	1.5
93.07049	1.2
95.04974	0.5
95.08601	1.1
97.06533	6.0
99.08052	0.8
99.93562	0.3
103.05453	0.4
105.07032	0.8
107.04984	2.6
107.08595	1.7
108.43642	0.4
108.71486	0.3
109.10176	2.2
115.05441	1.1
117.07018	2.6
119.08564	0.5
121.06484	2.1
123.04457	0.7
129.06989	1.0
129.32687	0.3
131.08548	0.7
132.19035	0.4
133.06424	0.5
135.04417	6.4
135.08017	1.1
135.11693	1.0
136.76064	0.3
137.05951	1.0
142.07782	0.6
143.08534	0.9
145.06485	1.8
149.05983	1.0
151.07567	0.7
153.05473	9.7
153.70889	0.4
157.06453	0.6
157.10121	1.8
161.05952	2.0
162.06854	0.4
163.07539	100.0
164.07854	3.5
165.09152	0.7
169.10072	0.6
171.08086	0.7
173.05942	0.4
174.06633	0.5
175.07565	2.3
177.09132	3.1
179.07024	1.0
181.08589	33.6
182.07426	0.5
182.08949	1.4
185.09634	1.4
187.07578	1.2
187.11188	0.4
189.09116	4.9
191.10736	0.5
195.08049	0.4
195.10155	0.6
197.09581	0.7
201.09032	0.6
203.08716	0.6
203.10660	11.8
204.10919	0.5
207.10168	2.0
211.11049	0.4
213.09134	1.4
215.10649	3.8
217.12248	1.3
221.11713	17.5
222.11986	0.5
229.12210	1.3
233.11749	2.2
235.13319	0.6
243.13718	0.4
251.14287	0.5
253.12152	0.4
255.13676	0.9
257.15375	0.7
269.15323	3.4
270.16064	2.0
271.16852	0.7
285.15259	0.9
285.18497	14.4
286.19006	1.1
287.16501	1.9
295.16959	0.7
297.14813	0.7
303.19534	14.7
304.19727	0.6
313.17987	4.7
314.18375	0.5
315.15796	1.4
331.15533	0.5
331.19061	5.2
332.19168	0.4
333.16882	1.6
349.20044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2008
Annotation	Gibberellin A53
Peak:m/z	Relative Intensity
52.96277	1.2
55.05512	1.7
67.05498	1.6
67.91045	1.0
79.05474	2.4
79.34848	1.0
81.07055	1.7
91.05476	1.6
93.07020	3.2
95.08572	2.5
97.06515	6.3
101.65526	1.1
105.07036	1.2
107.04956	2.6
107.08607	1.3
109.10165	3.4
115.05460	1.4
117.07024	2.4
119.08525	1.5
121.06503	2.4
121.60950	1.1
129.06941	1.6
131.04898	2.7
131.08575	1.3
135.04437	3.9
135.08011	1.3
142.07814	1.6
145.06444	2.7
153.05479	9.5
157.10100	2.2
161.05905	1.5
163.07526	100.0
164.07954	2.0
169.10124	1.2
171.08009	1.3
177.05447	1.1
177.09084	3.2
181.08575	45.6
185.09558	1.4
189.09097	4.7
203.10687	11.7
207.10156	1.9
213.09053	1.3
215.10709	3.3
220.02533	1.6
221.11703	21.4
221.13736	1.9
222.28540	1.4
227.10748	1.5
229.12207	2.1
233.11641	2.9
235.13399	1.1
269.15381	1.9
270.16132	1.6
285.18445	23.8
286.18896	1.7
287.16675	1.5
297.14966	1.1
303.19485	25.7
304.19803	2.0
313.18106	5.8
315.15668	1.4
331.18948	9.0
333.16891	3.0
349.13791	2.6
349.19971	3.9
350.28882	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2008
Annotation	Gibberellin A15 open lactone
Peak:m/z	Relative Intensity
52.02674	0.5
52.62210	0.6
55.01863	2.0
55.05500	2.2
57.03416	1.6
59.47279	0.7
63.37770	0.5
67.05499	5.2
69.03419	2.4
69.07053	2.7
69.45770	3.1
72.93410	0.5
77.03958	0.6
79.05489	6.8
81.07050	7.4
83.04987	0.9
83.08604	1.5
83.36260	0.5
91.05473	6.7
93.07034	6.2
95.04952	1.7
95.08594	3.8
97.06520	6.0
98.23434	0.7
99.08076	1.1
105.07033	6.1
107.04932	4.4
107.08601	4.1
109.06500	2.3
109.10143	3.3
111.08131	0.7
113.05988	0.7
115.05461	1.7
117.07003	3.4
119.08565	3.2
120.08112	2.3
121.06499	2.7
121.10124	2.9
123.07981	0.7
125.09657	0.6
127.01553	0.7
129.07022	1.2
131.04797	0.5
131.08531	2.8
133.10159	2.6
135.04417	5.7
135.08047	2.2
135.11678	1.2
143.08521	1.0
145.06488	2.9
145.10135	3.2
147.04388	0.7
147.11665	2.0
149.05942	1.1
149.09613	1.1
149.13257	0.9
151.07573	1.0
153.05463	9.8
155.08521	1.0
157.10083	2.5
159.08063	1.1
159.11723	2.7
161.05957	1.8
161.13300	0.8
163.07530	100.0
163.11198	1.8
164.07889	2.4
165.09055	0.9
169.10115	1.5
171.08049	0.7
171.11682	0.8
173.09608	0.9
173.13260	1.4
175.07553	2.2
177.09071	2.7
179.07062	1.1
179.08485	0.6
181.08586	34.1
182.08984	0.9
183.11652	0.7
185.09602	2.0
187.07425	1.2
189.09102	2.9
191.10620	0.7
197.13225	0.9
197.14914	0.5
199.11090	0.6
201.09105	0.9
203.10658	11.6
207.08354	0.6
207.10185	1.8
215.10677	3.4
217.12225	1.1
221.11710	17.7
227.10547	0.9
229.12164	1.0
229.19443	0.6
230.04538	0.8
233.11681	2.3
235.13208	0.7
237.12633	0.6
239.17984	1.1
243.13783	0.6
255.13826	0.7
257.15607	1.2
257.18942	3.2
263.35913	0.6
269.15353	0.6
270.16101	2.3
275.17200	0.9
275.20020	5.3
285.18457	14.7
286.18518	0.6
295.17172	1.1
303.19489	17.4
304.20087	0.6
313.17990	5.3
321.08746	1.5
331.18933	9.4
349.06723	1.4
349.10825	3.2
349.15637	0.8
349.19821	11.8
349.23758	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	349.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05645	19.3
63.78826	3.3
63.82790	3.9
68.05636	4.2
70.06591	56.1
70.16106	10.1
97.07628	7.4
98.97590	4.6
110.20729	5.6
116.07072	18.1
116.56149	3.7
118.95767	3.9
119.01947	7.0
119.75641	3.9
130.09753	10.6
137.05820	4.4
140.98372	4.1
158.09261	6.2
175.11909	100.0
177.00943	9.0
179.00702	4.4
186.14807	5.1
187.15240	6.5
219.01947	9.0
220.05325	4.3
237.08151	11.2
238.06308	4.4
261.03110	18.0
298.07251	4.7
302.97913	5.0
306.05579	4.9
315.09085	5.5
349.09045	9.4
349.20480	14.1
357.10788	5.0
359.10910	7.5
367.02689	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76245	1.3
57.07067	5.0
57.15485	1.1
58.24707	1.0
63.59950	1.2
67.05495	3.0
69.07054	1.5
69.56130	3.9
70.85929	1.1
71.08622	1.5
75.39205	1.2
79.05481	3.0
81.07053	3.5
85.10168	2.5
86.01762	1.0
89.06017	5.3
91.05436	1.7
93.07043	1.6
95.04953	3.1
95.08593	2.1
96.41042	1.4
97.06477	1.8
105.07018	2.6
107.08585	1.4
119.08578	2.0
121.10157	2.0
123.08056	4.5
128.80963	1.2
133.08563	1.4
133.10101	1.7
135.08081	1.3
158.89816	1.2
179.02316	1.2
179.14340	6.6
181.77304	1.2
195.09956	1.9
195.12262	2.2
349.08301	1.6
349.23438	100.0
349.27164	6.5
350.23724	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01868	10.6
55.05508	53.4
57.03181	1.6
57.03435	16.5
57.07077	2.8
65.03941	3.5
67.05501	50.8
69.03423	4.2
69.07060	22.5
69.19616	1.2
69.82865	3.7
70.72695	1.2
71.05000	5.7
79.05486	100.0
80.05843	1.9
81.03391	6.3
81.07050	46.2
83.04980	32.3
83.08613	13.0
85.06545	2.6
90.96780	1.4
91.05472	44.3
93.07036	66.9
94.07363	1.7
95.01338	2.0
95.04964	17.6
95.08604	22.9
97.06522	9.4
97.10160	14.2
99.08105	1.4
103.05461	2.0
105.04513	4.5
105.07014	42.8
107.04947	33.6
107.05671	1.9
107.08584	56.3
108.08988	1.5
109.06523	5.2
109.10151	23.2
111.08080	4.2
115.05344	2.1
117.07014	16.2
119.06178	1.6
119.08575	28.3
121.06497	4.6
121.10134	22.9
123.08100	4.2
123.11724	5.4
125.09605	12.0
129.06996	4.5
131.08545	17.3
133.10112	26.0
134.10454	2.5
135.08017	10.4
135.11693	7.8
141.06972	2.5
143.08566	2.8
145.06407	1.8
145.10124	14.6
147.11668	15.8
149.09601	43.6
149.13310	1.7
153.09123	3.2
155.08580	3.0
155.10725	1.8
157.10150	4.2
159.11679	11.2
161.13249	5.3
163.11182	4.4
163.14836	4.3
169.10136	2.1
169.12270	3.6
171.10219	1.7
171.11646	3.8
173.11763	3.6
173.13293	5.6
175.11206	2.3
177.12805	3.2
179.14247	2.0
183.11681	1.9
185.13332	2.9
187.11374	1.5
187.14841	3.0
189.11183	7.4
191.14261	2.3
197.13248	2.2
209.13513	1.5
209.15352	5.3
212.84097	1.6
213.16472	1.3
215.17949	1.4
229.19475	5.1
235.14812	1.4
239.17914	2.1
247.20534	1.9
257.18936	8.7
275.20059	39.5
276.20282	1.6
317.11734	2.3
321.14648	1.5
321.25735	1.3
342.24344	1.2
349.19748	6.3
349.23953	28.6
349.33688	2.4
350.23865	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71639	2.5
53.03929	3.7
55.01864	3.0
55.05503	12.8
55.47595	2.4
57.03429	36.2
67.05499	35.1
69.03419	3.1
69.07060	9.4
71.04998	2.7
76.18732	2.0
79.05486	30.4
81.07049	32.9
83.04981	5.8
83.08629	4.4
85.06537	8.5
88.07640	2.7
90.72234	2.0
91.05473	47.3
93.07041	36.7
95.04964	13.8
95.08607	23.5
97.06536	2.6
99.04443	8.3
105.07004	29.3
106.07355	2.1
107.04955	6.0
107.08584	21.0
109.06503	13.9
109.10167	9.4
111.08070	3.0
117.06994	16.4
119.08573	24.2
121.10111	12.5
123.08057	5.0
123.11664	2.4
129.06996	4.4
131.08554	19.3
133.10106	18.4
135.08025	4.0
135.11705	8.3
137.09639	2.7
143.08580	4.6
145.10098	14.2
147.11685	7.1
149.09619	4.8
153.12743	4.9
157.10100	4.3
159.11719	10.0
161.09586	2.3
161.13251	3.6
163.14847	2.1
171.11935	4.2
173.13251	5.8
183.11758	3.4
185.09584	2.3
185.13303	6.0
199.73465	2.4
201.16379	5.4
203.14345	3.4
219.17415	100.0
220.17621	2.4
239.18282	2.6
257.18964	3.1
275.20053	15.6
321.08795	4.9
345.79492	2.3
348.33838	3.3
349.23837	17.3
349.33701	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01868	11.0
55.05260	3.3
55.05509	50.7
57.03435	16.0
57.07079	2.3
59.05001	2.2
60.54300	1.8
67.05501	56.7
69.03421	3.2
69.07067	19.8
70.92902	3.2
71.04968	4.4
77.03928	2.2
79.05489	100.0
80.05829	2.5
81.03416	6.6
81.06570	3.2
81.07050	47.9
82.07354	1.8
83.04977	27.4
83.08627	13.6
85.06541	4.0
91.05477	39.8
93.07038	63.5
95.01318	2.8
95.04958	20.4
95.08600	27.6
97.06525	8.0
97.10153	15.0
100.59798	1.8
103.05526	2.0
105.04530	3.2
105.07024	43.1
107.04955	29.3
107.08590	64.8
109.06524	6.9
109.10142	29.6
111.08074	6.3
115.05421	1.9
117.07013	15.5
119.08566	26.2
121.06481	4.9
121.07289	2.2
121.10136	19.0
123.08076	3.0
123.11661	4.3
125.09632	13.4
129.06998	3.8
131.08557	18.8
133.10120	26.7
135.08037	8.6
135.11690	8.6
137.09578	5.1
143.08563	3.7
145.10117	16.4
147.11665	16.4
149.09602	46.3
149.13232	3.3
150.09914	2.0
153.12682	2.5
155.08521	2.3
155.10674	2.5
157.10115	8.5
159.11667	11.4
161.09665	2.0
161.13249	5.0
163.11147	3.6
163.14798	3.6
169.10080	4.4
169.12236	4.6
171.11639	4.2
173.11853	3.5
173.13277	7.5
177.12694	4.7
179.14281	4.5
183.11720	4.4
185.13234	3.2
187.11165	3.4
189.11186	6.3
189.12677	2.6
191.14305	3.5
192.04071	2.0
209.15349	5.7
215.14314	2.4
229.19484	5.9
233.15331	2.0
257.19006	8.2
275.20023	39.6
317.11588	1.9
349.19620	6.0
349.23441	30.3
349.33734	2.4
358.54736	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	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74784	4.9
53.03938	5.8
55.05510	28.3
57.07068	28.9
63.38784	4.9
65.03928	5.6
67.05501	36.2
69.07053	34.1
71.08621	17.7
77.27459	5.2
79.05495	39.5
79.71557	5.2
81.07063	57.1
83.08600	13.6
85.06538	6.1
89.06010	18.3
91.05475	60.3
93.07043	61.7
95.04966	35.5
95.08607	35.2
97.06519	15.3
105.07011	100.0
107.08590	42.5
109.06521	20.1
109.10171	37.6
117.07004	21.5
119.08568	76.5
121.06519	7.0
121.10148	85.1
123.08054	39.2
123.11723	11.0
128.06207	7.8
129.07024	8.4
130.07788	6.7
131.08539	39.2
133.10124	57.2
135.08031	12.1
135.11650	11.9
141.06998	8.0
142.07782	17.8
143.08563	27.3
144.09367	12.5
145.10106	53.9
147.08058	8.0
147.11670	15.1
149.09650	6.3
151.09586	12.4
155.08551	9.2
157.10112	31.5
158.10783	6.7
159.11661	15.1
161.09634	16.6
169.10097	15.1
170.10783	7.6
171.11655	17.9
173.13251	17.8
175.14732	10.4
179.08476	15.5
179.14301	49.0
181.10132	16.5
183.11684	18.4
187.14825	21.1
195.11720	13.5
197.13289	7.0
199.14804	8.1
209.13266	18.6
223.14662	11.4
227.14464	6.0
233.17967	6.5
239.17897	8.0
293.21017	8.4
321.08688	7.3
336.72781	6.7
349.27243	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74784	4.9
53.03938	5.8
55.05510	28.3
57.07068	28.9
63.38784	4.9
65.03928	5.6
67.05501	36.2
69.07053	34.1
71.08621	17.7
77.27459	5.2
79.05495	39.5
79.71557	5.2
81.07063	57.1
83.08600	13.6
85.06538	6.1
89.06010	18.3
91.05475	60.3
93.07043	61.7
95.04966	35.5
95.08607	35.2
97.06519	15.3
105.07011	100.0
107.08590	42.5
109.06521	20.1
109.10171	37.6
117.07004	21.5
119.08568	76.5
121.06519	7.0
121.10148	85.1
123.08054	39.2
123.11723	11.0
128.06207	7.8
129.07024	8.4
130.07788	6.7
131.08539	39.2
133.10124	57.2
135.08031	12.1
135.11650	11.9
141.06998	8.0
142.07782	17.8
143.08563	27.3
144.09367	12.5
145.10106	53.9
147.08058	8.0
147.11670	15.1
149.09650	6.3
151.09586	12.4
155.08551	9.2
157.10112	31.5
158.10783	6.7
159.11661	15.1
161.09634	16.6
169.10097	15.1
170.10783	7.6
171.11655	17.9
173.13251	17.8
175.14732	10.4
179.08476	15.5
179.14301	49.0
181.10132	16.5
183.11684	18.4
187.14825	21.1
195.11720	13.5
197.13289	7.0
199.14804	8.1
209.13266	18.6
223.14662	11.4
227.14464	6.0
233.17967	6.5
239.17897	8.0
293.21017	8.4
321.08688	7.3
336.72781	6.7
349.27243	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05495	3.0
56.01893	1.0
57.07089	4.3
67.05500	3.9
69.07062	3.8
71.08619	4.0
79.05491	2.4
81.07049	5.5
85.06540	2.8
89.06032	1.5
91.05463	1.2
93.07036	2.9
95.08595	5.7
99.08096	1.5
104.64310	1.1
105.07034	2.6
107.08582	2.2
109.06508	20.2
109.07223	1.6
109.10162	2.0
119.08580	1.1
121.10155	2.2
122.07269	1.7
123.08057	27.1
123.08904	1.9
135.08052	3.9
135.16942	0.9
137.09583	1.2
145.10112	1.2
147.11679	1.4
179.14293	100.0
180.14650	3.4
193.15842	2.5
213.38133	1.1
226.99622	1.2
227.99812	1.2
245.00569	1.8
293.20819	1.2
321.08704	2.3
331.26352	3.7
332.06149	4.2
345.02667	1.6
349.08163	2.7
349.27338	78.8
350.23944	1.2
350.27466	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01868	1.1
55.05510	6.8
55.44654	0.4
56.78067	0.6
57.03423	0.6
57.07067	2.4
59.85276	0.4
67.05161	0.5
67.05499	6.8
69.07062	12.1
69.34235	0.5
69.34411	0.6
69.34785	2.1
71.04972	1.4
71.08628	0.8
73.06549	0.8
74.51669	0.5
77.07645	0.4
78.87932	0.4
79.05479	4.7
81.07049	10.8
83.04983	0.8
83.08615	5.0
85.06522	1.0
91.05480	2.9
93.07035	6.1
95.04965	1.1
95.08602	8.7
96.08857	0.4
97.06521	3.0
97.10150	1.3
99.08119	0.6
105.07005	3.4
107.08579	6.6
109.06506	12.8
109.10139	3.6
110.06840	0.5
111.08069	2.4
119.08563	4.3
121.06491	1.0
121.10149	4.7
122.07274	0.9
123.08058	76.1
123.11687	2.4
124.08375	1.5
125.09599	0.5
125.37149	0.5
131.08560	1.1
133.10141	2.4
135.08029	5.8
135.11681	1.5
137.09599	3.7
137.13216	0.5
145.10124	1.5
147.11696	3.1
149.09645	1.4
149.13219	2.7
159.11699	1.7
161.13242	1.3
163.11183	0.7
163.14790	0.7
165.12784	1.1
167.14284	0.5
173.13272	0.7
177.12727	0.9
179.14291	14.8
180.14738	0.6
233.18974	0.5
247.20624	0.6
263.19891	0.6
275.20032	2.0
281.21011	0.5
289.25360	0.8
293.21082	19.4
294.21362	0.7
303.26880	0.9
307.22653	0.6
331.26239	4.0
332.26782	0.5
349.27344	100.0
350.27649	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.32684	1.6
57.07066	7.8
69.07034	1.8
69.61169	5.0
71.08590	2.1
72.34598	1.7
77.91238	1.8
79.05515	2.0
81.07050	7.0
86.47705	1.7
95.08609	6.0
99.15112	1.6
109.06510	22.6
119.08587	1.9
122.07275	2.4
123.08057	24.9
134.28772	2.1
135.08054	3.5
179.14296	100.0
180.14665	2.4
192.93446	1.9
226.99451	1.9
230.56915	1.9
257.34094	2.0
263.21686	2.1
264.00003	2.0
271.37375	1.8
321.08603	2.5
331.26279	3.1
332.06091	3.9
349.08191	3.5
349.27374	79.3
350.27420	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03936	0.4
55.01865	0.9
55.05509	6.0
57.03416	0.4
57.07062	1.7
58.53802	0.4
59.04977	0.4
64.47703	0.4
67.05500	5.4
69.07066	10.5
69.34977	0.3
69.90155	1.2
70.70153	0.4
71.04980	1.1
71.08628	0.8
73.06567	0.6
78.48137	0.4
79.05499	3.4
81.07050	8.7
82.07378	0.4
83.04969	0.6
83.08610	4.6
85.06541	0.9
90.67715	0.3
91.05485	2.6
93.07049	5.0
95.04956	0.7
95.08598	7.6
97.06511	2.3
97.10165	0.8
99.08092	0.8
105.07040	3.2
107.08595	6.1
109.06512	12.2
109.10130	3.6
111.08058	2.1
114.43776	0.3
117.06977	0.4
119.08566	4.3
121.06540	0.5
121.10141	3.7
122.07286	1.0
123.08060	71.8
123.11683	1.4
124.08378	2.0
125.09620	0.8
125.13208	0.4
131.08571	0.6
133.10094	2.8
135.08035	5.8
135.11650	1.8
136.08842	0.5
137.09641	3.7
137.13219	0.6
145.10097	1.8
147.11682	2.5
149.09627	1.7
149.13217	2.1
151.11124	0.6
159.11641	1.3
161.13232	1.1
163.11200	0.5
165.12733	0.6
167.14279	0.7
173.13258	0.5
177.12746	0.8
179.14288	16.8
180.14641	0.4
193.15912	0.5
212.41714	0.4
212.48216	0.4
233.18867	0.8
249.72801	0.5
275.20117	2.0
289.25259	1.1
293.21066	16.8
294.21375	0.7
303.26968	0.5
307.22726	1.0
331.26312	3.1
349.27344	100.0
350.27664	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	349.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50661	0.5
52.62370	0.5
55.05507	3.4
57.07072	39.1
58.07414	0.5
59.05011	0.7
67.05500	2.4
69.03420	0.6
69.07065	2.6
70.93649	0.8
71.04990	0.7
71.08627	25.0
73.06541	3.6
79.05496	3.5
81.07059	4.6
83.08607	2.6
85.10175	19.5
87.04445	0.8
89.06024	100.0
90.06367	1.6
91.05466	4.4
91.07574	0.7
93.07038	5.1
95.04969	2.6
95.08601	3.6
97.06522	1.0
97.10146	2.6
99.11732	3.4
105.07024	6.9
107.07065	7.3
107.08557	3.2
109.06511	1.7
109.10129	2.9
113.13277	0.7
115.05441	0.8
117.07011	1.3
117.09100	0.6
119.08575	5.7
121.06567	0.6
121.10125	5.3
123.08047	3.2
123.11683	0.6
128.06174	0.7
129.06935	0.6
130.08640	1.4
131.08557	2.9
133.08598	30.1
133.10042	2.8
135.08043	0.7
135.11714	0.9
142.07796	1.0
143.08501	1.9
145.10129	3.5
147.11749	1.1
151.09662	5.2
155.08467	1.1
155.17905	1.5
157.10135	1.8
159.11649	1.4
161.09618	1.1
169.10098	1.6
171.11705	1.0
171.44141	0.6
173.13298	1.2
177.11194	6.5
179.08484	0.9
179.14243	3.5
183.11688	0.6
185.13261	1.0
187.14818	1.3
194.10959	0.7
195.12274	18.4
196.12517	1.3
197.13252	0.7
198.14888	0.9
199.14862	0.6
199.20575	0.7
209.13324	1.3
211.14807	0.8
239.17990	0.7
321.08624	1.2
349.29706	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	350.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15572	3.7
56.05031	10.2
56.21033	4.3
70.06582	26.5
70.25624	9.9
72.08135	11.5
77.52254	4.1
84.04491	32.1
84.08133	44.9
85.02891	5.5
86.09683	7.9
88.03996	15.5
94.05264	4.1
99.02635	4.6
101.01727	17.4
101.04189	6.4
102.05527	5.6
120.08083	5.2
125.07092	4.9
130.04974	14.0
134.06381	4.5
147.04367	5.8
152.05283	21.3
154.04921	5.9
170.06337	9.2
171.07623	5.9
188.07359	8.1
190.09914	4.2
249.05301	6.3
288.10876	8.1
322.08826	7.7
350.06201	100.0
351.14111	12.2
365.72379	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	350.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	21.4
70.14548	12.1
70.14886	14.1
72.08154	13.6
84.08132	8.2
98.22758	8.6
120.08073	8.6
126.93124	5.9
138.05499	8.5
142.11827	7.0
147.04436	8.5
350.06265	100.0
350.11920	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	350.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79343	1.8
56.77412	2.0
56.96553	3.2
70.06593	4.3
71.41991	2.2
84.08135	2.7
86.09699	2.9
98.97554	10.3
101.00866	7.4
110.07122	2.9
113.00880	4.7
116.98611	3.6
119.01916	23.0
120.08072	2.0
131.01921	14.1
136.06183	48.4
137.02943	6.8
138.05423	1.8
141.76070	1.8
143.01903	4.2
157.03464	13.5
161.02914	7.5
167.01883	4.3
170.02666	2.1
173.02960	5.7
175.04494	4.7
176.04140	17.1
177.00676	3.1
185.02946	15.9
188.03830	4.1
194.05231	60.6
195.05246	3.8
207.94716	2.0
212.06264	7.3
212.93114	2.7
218.05234	39.0
219.01794	4.0
230.05222	33.7
231.05409	4.7
233.05029	2.6
236.06248	18.5
237.02809	5.1
248.06290	12.1
254.07150	3.9
308.08353	8.4
309.08530	10.4
326.09503	8.2
350.09418	100.0
351.10205	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	350.1385
Annotation	Dihydronitidine
Peak:m/z	Relative Intensity
56.05016	0.4
67.25190	0.2
68.99770	0.5
69.73716	0.4
69.74101	0.4
70.06593	1.8
79.05472	0.3
80.05019	0.3
80.05552	0.3
82.06562	0.5
91.05462	0.7
94.06576	1.7
95.04900	0.3
96.68625	0.2
103.05484	1.1
105.07140	0.2
107.04949	0.3
108.07394	0.3
108.08113	4.9
110.06033	0.4
111.00794	0.3
115.05395	0.4
119.04910	0.2
120.08072	0.7
120.73907	0.2
122.09663	0.2
126.40242	0.2
131.04916	3.3
132.08070	0.7
133.10437	0.3
134.05989	1.4
136.06593	0.3
136.07568	6.0
139.00241	1.0
144.08051	0.6
147.04454	0.3
148.07518	0.9
150.09123	1.9
160.07579	1.2
161.02330	0.3
161.03519	0.4
162.05476	0.4
165.01845	2.7
174.09125	0.3
175.03874	1.0
176.07042	1.7
177.01833	0.8
178.08644	2.2
180.06621	0.4
183.02831	1.2
187.03883	0.8
189.01808	3.8
189.05511	0.5
190.04936	0.3
190.08588	0.8
193.04936	0.4
194.08351	0.3
195.02873	0.4
200.07008	0.7
202.08672	0.5
203.01863	0.3
203.03409	4.3
204.06570	3.8
205.04912	0.3
207.02856	2.1
215.03416	1.6
217.04961	1.4
218.04518	4.8
218.08092	7.1
219.03915	0.4
219.08765	0.6
220.71539	0.3
221.04379	0.5
222.07674	1.3
228.06555	3.7
229.04973	0.6
231.04037	0.5
233.04401	0.3
235.05969	0.3
236.05524	0.5
236.09068	0.5
244.06104	0.4
246.07600	50.5
247.03564	0.5
247.05807	0.3
247.08046	1.8
264.08646	3.2
269.07953	0.3
281.08035	0.3
293.04996	0.4
293.08044	3.3
302.07849	0.2
307.09677	3.2
308.12869	0.6
321.11160	1.9
322.10654	2.4
322.14542	0.7
327.01758	0.4
327.18277	0.4
332.12860	0.5
345.02905	0.8
350.13840	100.0
351.09708	0.7
351.14160	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	350.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
56.05006	0.2
57.07048	1.0
60.82364	0.2
61.36809	0.2
64.46767	0.2
68.04998	0.3
68.99775	0.6
69.07034	0.2
69.78117	0.7
70.06583	1.7
71.01330	0.2
72.04494	0.3
79.05471	0.3
80.04987	0.4
81.03387	0.3
81.07050	0.3
82.06565	0.3
84.99268	0.2
85.06522	0.3
91.05463	1.0
93.07044	0.3
94.06554	1.9
95.04961	1.2
103.05479	1.4
105.03358	0.2
105.07012	0.2
107.04944	0.2
108.08099	5.7
115.05446	0.3
119.04881	0.3
120.08075	1.0
122.06020	0.2
122.09644	0.3
127.55066	0.2
131.04913	3.3
132.08066	0.7
134.06001	1.6
136.06581	0.4
136.07565	6.3
137.05963	0.3
139.00226	1.3
144.08011	0.8
147.04375	0.5
148.07521	0.9
150.05434	0.3
150.09125	1.8
159.04349	0.3
160.07539	1.4
161.02258	0.3
162.05464	0.4
162.09140	0.3
165.01811	2.3
166.48598	0.2
172.07538	0.5
174.09119	0.5
175.03870	1.0
176.07018	2.3
177.01799	1.0
178.08601	2.3
180.06566	0.4
183.02908	1.1
184.07555	0.3
187.03912	0.6
189.01819	3.7
189.05461	0.5
190.04869	0.3
190.08592	0.9
195.02895	0.3
200.07011	1.0
201.05441	0.4
202.08659	0.4
203.03423	5.0
204.06540	4.4
205.05060	0.3
207.02820	2.0
215.03366	1.6
217.05025	1.4
218.04523	5.9
218.08076	8.6
219.04164	0.3
219.08659	0.5
221.04352	0.5
221.15366	3.0
222.07576	1.4
222.15486	0.2
228.06514	4.4
229.04878	0.5
231.03902	0.3
233.04396	0.4
236.05470	0.4
236.09178	0.7
244.05927	0.6
246.07587	51.0
247.05740	0.5
247.08023	2.0
264.08627	2.9
266.21118	4.8
281.08060	0.2
293.07986	3.1
307.09616	3.5
308.12796	0.6
321.11234	1.5
322.10712	2.6
322.14319	0.8
323.11072	0.3
332.12650	0.5
333.13351	0.3
345.02667	0.3
350.13824	100.0
351.14142	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	350.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01864	1.1
55.05496	1.2
57.03445	2.0
57.07066	1.5
58.32333	0.7
60.16533	0.7
61.02913	1.6
68.99791	0.9
69.03429	11.3
69.07052	1.3
71.04998	1.5
73.02936	1.3
81.03403	6.5
81.07053	1.4
83.08617	0.8
85.02901	28.0
86.09720	3.8
87.00827	8.8
91.05489	1.4
97.02892	6.5
97.06503	0.8
99.04453	1.5
100.11241	1.5
102.09180	15.2
105.01865	9.3
105.07041	1.1
109.02880	7.1
113.00020	8.5
120.08119	5.1
127.01564	100.0
127.03895	14.6
129.01877	1.1
135.11688	1.3
145.04984	3.3
147.04477	1.0
159.02911	2.0
164.22523	0.7
189.03963	1.6
205.06078	0.9
207.06508	0.9
220.99693	1.6
226.17151	0.9
229.04990	1.4
230.05421	1.7
231.04938	2.8
233.16470	1.1
237.73643	0.9
247.17484	0.7
350.11047	1.4
350.15274	1.0
350.26923	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	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47756	12.1
70.06593	42.0
73.65724	10.3
84.08165	11.7
85.02939	18.3
97.02904	13.8
98.97610	11.1
111.04460	41.7
120.08170	10.5
127.03931	10.8
133.10318	9.6
139.03874	100.0
147.04491	15.1
148.02788	11.8
171.06517	97.3
218.04947	13.3
232.88034	10.6
236.05925	13.7
249.21451	10.2
259.86224	11.3
261.05536	20.7
292.73611	9.9
350.09665	29.5
350.15274	23.2
351.16449	13.3
352.86618	10.6
362.07291	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	350.241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
58.52984	0.4
65.79644	0.4
91.05518	0.6
100.07600	0.9
113.06888	0.8
119.04900	0.7
121.02774	0.5
122.05795	1.6
131.04948	0.6
136.44704	0.4
144.79147	0.4
147.04393	0.6
151.08415	0.7
154.07198	0.7
155.07886	3.6
179.11569	1.8
179.73410	0.4
194.13414	0.4
212.97089	1.0
231.03970	0.5
233.16302	0.8
236.17345	18.3
246.14598	0.6
260.17383	1.3
278.18484	9.5
290.21982	2.0
296.18201	0.5
299.02213	0.7
305.10071	0.6
308.23022	3.4
317.03296	0.9
327.01599	1.0
332.23099	1.6
346.84454	0.4
350.24139	100.0
351.11520	0.8
351.24365	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	350.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	100.0
66.21839	3.6
67.05479	6.4
69.07068	5.9
71.08625	79.7
79.05486	6.4
81.07050	9.2
85.10167	46.1
88.11249	4.2
88.53313	3.3
89.06019	53.1
89.06532	4.5
91.05474	4.7
93.07047	7.6
95.04962	4.7
95.08620	5.5
98.22646	10.9
99.11705	8.6
105.07015	6.6
106.07407	4.0
107.07057	3.9
107.08581	8.8
109.06527	3.9
113.13287	6.3
119.08566	7.0
121.10151	3.9
127.14837	4.1
131.31682	3.4
133.08597	18.9
145.10103	4.1
147.11765	3.4
151.09641	83.4
279.66959	3.7
289.21503	6.1
294.01385	3.6
333.30045	12.5
351.26840	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	351.0169
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
65.03918	0.2
67.01857	0.4
68.99804	0.4
69.03415	0.3
91.05481	6.3
95.04942	0.2
97.02903	0.2
102.51678	0.2
118.04195	0.8
119.04929	1.9
121.02852	0.5
124.01553	1.3
131.04880	0.4
151.03877	0.2
152.01051	0.8
153.01822	37.1
154.02139	1.3
161.06000	0.2
170.02106	1.1
171.02919	0.2
206.17838	0.2
214.34372	0.2
219.07796	0.2
224.04698	0.2
229.04893	0.3
242.05722	1.1
243.06531	6.6
244.06961	0.3
250.92270	0.2
252.01564	0.3
252.04211	0.3
253.04906	0.9
269.04352	0.9
270.05228	2.6
271.05988	100.0
272.06351	5.4
307.05823	0.6
309.06738	0.2
319.09534	0.4
321.03696	1.7
334.07001	0.4
336.05981	1.6
351.01697	15.6
351.08286	7.4
351.11975	0.3
352.02234	0.9
352.08615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.5
55.01855	2.8
55.05505	1.6
56.53259	0.4
57.03432	1.2
57.98793	0.9
58.99584	7.9
59.01387	1.4
59.04998	0.6
61.01143	3.1
61.06562	3.0
62.01927	1.3
67.05479	2.4
68.53682	0.5
69.03407	0.4
69.07051	1.4
69.14698	2.6
69.34282	0.4
71.04958	0.6
71.08619	0.9
73.01127	1.3
74.01891	0.4
74.99061	11.2
75.04471	6.9
79.05476	2.6
81.07053	7.6
83.04993	1.0
83.08592	0.6
83.70183	0.4
84.97491	2.0
85.02895	6.0
85.06520	0.5
86.99042	1.6
88.95189	0.7
89.00613	19.5
91.02154	0.8
91.05495	2.2
93.07029	2.8
95.04932	0.5
95.08585	2.2
98.22673	0.7
99.04453	1.3
101.00632	3.8
101.06022	2.9
105.05496	7.0
105.07043	2.4
107.01653	9.5
107.08584	1.8
109.06510	2.9
109.10172	0.9
111.04427	3.0
113.02356	17.1
114.02781	0.4
114.98527	2.6
115.03899	0.4
117.00068	59.2
118.00922	2.0
119.08570	2.0
121.03197	12.2
121.10143	1.1
121.28030	0.5
125.06000	0.5
127.01549	1.8
129.00063	6.7
130.06538	1.2
131.01642	0.8
132.02379	0.9
132.97780	0.7
133.04953	97.8
133.10114	1.5
134.05299	1.9
135.08029	1.1
135.11688	1.8
137.05960	19.6
137.09613	0.4
143.08463	0.5
144.97745	0.9
144.99512	1.3
145.04971	0.5
145.10030	1.0
146.00327	3.8
147.01053	1.0
147.02908	1.1
147.04646	0.6
147.11693	2.0
149.02670	13.6
149.09564	1.0
149.13234	1.0
151.07523	0.7
159.01111	0.6
159.06520	6.4
159.11572	0.6
160.97273	3.1
161.02626	1.0
161.09625	1.1
161.13182	0.5
162.98825	0.5
163.00586	2.4
170.95709	1.4
175.00642	2.1
175.11118	0.8
177.02145	32.3
178.02492	0.6
188.96735	2.8
191.03723	1.8
195.03232	0.9
198.95161	1.3
202.98033	0.6
203.17979	0.8
203.99091	1.5
205.01642	100.0
206.01929	2.8
213.16296	0.5
215.95442	0.5
219.98679	0.5
221.06902	0.5
230.97708	2.5
231.17424	1.7
235.00966	1.1
241.19426	0.6
249.18491	1.4
258.97220	3.8
259.20572	0.5
263.00406	6.7
276.98203	0.5
277.17950	6.2
290.99869	17.9
291.99948	0.6
295.19037	1.0
350.20178	1.8
351.21213	5.1
351.25308	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	351.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37771	0.2
61.88579	0.2
62.29995	0.2
63.40747	0.2
65.63956	0.2
69.25893	0.7
70.88318	0.2
78.99487	0.5
83.80026	0.2
86.09641	0.2
91.05474	0.4
95.04922	0.2
98.22703	0.4
105.07001	0.3
109.62766	0.2
113.00005	8.2
120.08096	2.6
127.01555	100.0
128.01891	0.9
129.58908	0.2
147.04376	0.5
167.07115	0.2
177.05562	0.3
184.82582	0.2
191.11761	0.7
196.05446	0.2
207.06566	0.6
220.99718	1.6
247.07603	0.2
248.67459	0.2
259.13284	0.3
277.08505	0.3
291.10059	0.4
351.11777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80005	1.8
71.00813	3.7
75.67840	2.1
94.92985	3.8
124.26186	1.7
132.62421	1.8
147.67047	2.2
153.19637	1.7
159.91306	1.8
248.89545	4.1
250.89424	4.4
321.27979	2.2
340.70090	2.2
351.06824	100.0
351.12500	11.0
352.07178	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	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60525	2.4
56.98639	2.0
70.52106	3.0
164.34738	2.3
185.79472	2.3
206.49629	2.1
240.77693	2.4
282.74292	2.3
327.81647	2.3
351.06827	100.0
352.07230	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
85.30850	1.9
88.18266	2.0
88.78754	2.1
94.93000	5.8
112.89605	9.3
114.89378	2.3
180.03180	2.1
189.01843	2.5
208.97293	2.5
212.85194	3.2
214.84900	2.4
250.89534	3.6
251.03075	6.7
266.13541	2.0
351.06854	100.0
352.07190	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02504	3.5
64.01496	3.0
69.67503	11.2
118.62481	3.4
175.03674	50.8
181.01080	29.0
182.56023	3.7
199.02138	100.0
220.41888	3.3
350.24088	5.5
351.06964	26.9
351.10886	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
57.03424	2.2
65.03925	1.5
68.99789	16.8
69.03412	1.9
72.08138	1.3
79.05503	1.4
81.03397	6.4
81.07059	2.2
82.96526	1.6
83.01339	2.4
83.04996	1.4
83.76900	1.2
87.00856	2.8
91.05475	15.0
99.04478	1.5
101.02370	4.4
103.05460	4.9
105.03394	1.7
105.04503	1.4
105.07032	2.2
107.01309	1.9
107.04944	26.7
109.02888	2.3
111.00777	2.7
115.05429	1.6
119.03433	4.5
119.04929	16.5
129.01878	4.4
131.04893	8.3
135.04405	17.0
135.05388	2.2
137.05998	1.8
145.10129	1.3
147.04411	5.9
151.03915	2.4
159.04413	1.4
161.03503	2.1
161.05905	2.0
163.03889	50.9
164.04366	1.3
171.03040	2.7
171.04425	6.3
175.03937	3.8
180.12515	1.4
187.03891	100.0
188.04219	3.3
205.04768	17.9
207.02791	1.8
207.06488	6.9
209.09575	1.3
215.01805	9.9
225.85448	1.4
227.34589	1.3
231.02795	11.2
232.02545	1.8
245.04449	5.9
249.03809	1.5
251.07089	1.4
255.02872	8.4
262.50818	1.4
263.07092	1.6
271.06039	2.8
280.98224	1.3
306.07681	2.0
308.23038	4.1
315.04968	72.2
315.15802	1.4
316.05301	4.7
333.05838	2.7
333.16821	1.9
335.05615	2.2
350.24164	13.9
351.10233	6.7
351.14349	2.3
351.18021	1.8
351.24649	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	351.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54944	0.7
55.01880	0.8
57.02326	0.8
58.50849	0.6
62.27598	0.7
69.73238	2.1
69.73609	1.2
75.48650	0.6
79.02438	0.6
79.55817	0.7
84.93780	0.6
89.11652	0.7
93.04533	1.7
95.06090	1.3
103.05505	0.9
105.03394	4.7
105.04491	0.7
106.43820	0.6
109.06495	0.6
130.04599	0.7
131.04918	2.1
147.04468	0.8
161.03481	1.4
161.68977	0.6
162.01869	3.6
163.05022	3.0
177.43695	0.8
189.99748	1.2
190.01323	9.5
191.04510	3.4
204.02937	2.4
208.02397	19.5
219.03993	11.9
229.04884	1.3
231.04121	0.8
246.98700	0.9
247.03474	11.0
248.05685	1.0
252.06622	0.9
253.04935	1.4
257.04596	0.8
264.06439	3.6
290.07968	0.8
292.06012	94.0
293.06381	5.4
306.07590	54.5
307.07922	3.0
308.06827	1.7
323.09195	2.5
328.02072	1.0
334.07053	100.0
335.07327	6.8
346.03214	2.2
347.04221	1.4
350.28687	1.0
351.09692	24.0
351.21582	0.8
352.10141	1.0
365.86703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46076	1.1
56.96558	4.2
60.08257	1.2
66.74529	1.3
69.83222	3.1
69.83566	1.6
80.27620	1.3
84.08129	2.6
98.97572	21.1
110.97569	3.7
116.98621	8.6
117.05495	1.8
120.08080	2.9
128.98630	2.0
129.10193	1.5
136.06169	1.9
145.01654	1.1
148.33978	1.2
158.99631	7.0
177.00705	4.4
204.13419	1.6
219.01718	4.5
219.05431	1.3
227.81111	1.2
231.05360	2.5
237.02766	6.7
291.07443	7.9
309.08511	21.3
351.10458	100.0
352.10742	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	351.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.7
55.05507	3.5
57.03429	1.7
63.38874	0.7
67.05489	6.2
69.07068	2.6
71.08626	2.3
78.99511	1.3
79.05484	5.0
81.07051	13.9
83.08609	1.3
91.05482	3.9
93.01045	1.6
93.07041	6.2
95.04958	1.9
95.08607	5.1
97.06510	1.5
99.08080	2.8
105.07021	4.8
107.08584	3.4
109.06512	3.2
109.10175	2.4
111.04437	1.8
111.08060	1.0
117.07005	1.2
119.08592	2.7
121.10147	3.5
127.01543	6.4
131.04921	1.1
131.08575	1.1
133.10139	3.1
135.11708	2.5
137.05978	23.9
145.10150	1.4
147.11716	4.3
149.09520	1.1
149.13255	1.1
151.11206	0.9
157.10199	0.9
159.11670	1.7
161.09679	1.5
161.13275	3.3
161.77121	0.9
163.11195	2.1
165.12740	1.0
175.11267	1.3
175.14868	1.0
179.14391	0.9
189.06989	1.7
190.07785	2.6
191.08521	2.2
199.07571	1.1
202.07741	6.7
203.08556	4.6
203.18025	1.0
205.06520	3.0
207.06540	1.2
215.08557	2.2
217.04497	0.9
218.07307	3.1
219.08037	9.3
220.08858	5.1
229.06407	2.1
230.07227	7.3
231.04335	1.0
231.08025	13.2
231.17438	2.4
232.08768	3.6
233.05974	4.2
233.09700	1.9
234.06796	1.5
235.11168	1.1
238.92076	1.0
242.07288	1.9
243.07965	1.0
245.05988	2.2
245.09686	2.1
246.06729	5.5
247.07503	10.5
248.08311	10.1
249.08961	1.8
249.18460	1.7
250.06224	1.0
258.06793	5.8
259.07547	9.5
259.20624	2.7
260.08276	6.4
261.05579	5.2
261.09143	2.9
262.06314	1.1
262.09720	1.1
263.10724	4.1
265.08624	1.8
272.08310	1.3
273.06046	1.7
273.09091	18.4
274.06305	3.2
274.09219	1.5
275.07104	7.1
276.07794	19.5
277.08597	5.4
277.18042	6.3
277.21658	2.9
287.07153	1.4
288.07758	1.6
289.04980	3.1
289.08618	9.4
290.09348	13.8
291.10150	13.1
293.08084	3.1
295.19092	1.0
301.08624	8.2
303.06561	1.5
304.07294	15.0
305.08002	9.9
307.09930	1.0
308.10568	1.1
319.09625	100.0
320.10254	18.0
336.08249	1.8
351.05139	1.8
351.12283	28.9
351.21365	15.3
351.25433	3.4
352.12830	2.7
354.09390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	2.5
63.34613	0.8
67.05489	1.2
69.03421	2.0
69.25149	0.9
69.60686	3.3
72.08156	1.8
73.77789	0.8
74.06047	1.0
79.05456	1.3
81.07056	1.7
91.05478	2.9
93.07012	1.2
95.08604	0.9
101.06008	6.9
105.07008	1.1
107.08598	1.4
111.42682	0.8
118.08639	1.0
119.04948	3.0
127.03928	1.3
131.05028	1.1
132.10211	11.6
136.07619	1.0
147.04411	3.3
148.09624	1.1
165.07069	1.2
173.22137	0.9
175.03914	4.9
177.06923	1.3
189.07021	2.5
190.07635	1.8
191.08508	3.4
194.07288	1.0
202.07753	8.0
203.08516	4.1
205.06549	4.6
206.07300	2.4
207.06522	6.2
215.08585	3.6
217.06630	1.3
218.07259	3.8
219.07997	10.4
220.08771	5.1
230.07339	8.7
231.08035	15.4
232.06020	3.5
232.08679	3.7
233.05983	7.5
233.09572	1.5
234.06680	2.3
237.09142	2.5
242.07220	1.3
243.08229	1.5
244.05049	0.9
245.06047	4.1
245.09537	1.5
246.06706	6.5
247.07515	12.6
248.08278	12.6
249.09061	3.9
250.06371	0.9
258.06699	7.2
258.24249	11.6
259.07526	11.2
259.24603	3.7
260.08270	6.0
261.05472	13.1
261.09021	3.5
262.06265	3.1
262.09839	1.4
263.10690	2.3
265.08585	6.0
273.05948	1.5
273.09061	21.0
274.06207	4.0
274.09299	1.6
275.07037	8.3
276.07816	38.6
277.08521	10.1
278.05609	1.5
278.08939	1.1
287.06998	1.4
288.07846	1.4
289.04968	3.6
289.08566	10.9
290.06226	1.9
290.09323	16.8
291.10135	17.9
292.10681	1.4
293.08026	5.1
301.08554	10.0
303.06555	1.8
304.07263	19.2
305.07974	10.4
306.08441	1.0
308.10513	4.2
308.13721	0.9
318.08804	2.2
319.09641	100.0
320.10266	20.7
321.07352	1.3
321.11011	2.0
323.12750	7.9
336.09897	3.0
346.03046	2.6
350.28967	23.2
351.12244	48.3
351.21344	12.4
351.29330	11.3
352.12375	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75715	0.7
67.05500	1.6
69.07069	0.7
69.59182	2.5
79.05510	0.9
81.07067	1.1
91.05499	1.7
95.08612	0.9
119.04939	0.7
147.04407	0.8
175.03847	1.1
177.07051	0.8
178.07947	0.7
185.61440	0.6
189.07001	2.3
190.07779	1.9
191.08655	1.9
199.07574	0.9
202.07744	7.8
203.08530	4.0
205.06560	3.6
206.07149	0.9
207.06509	1.6
209.09485	0.7
213.06996	0.9
215.08527	2.7
217.06418	1.0
218.07292	4.5
219.08076	6.8
220.08846	4.3
222.06653	0.8
229.06500	1.2
230.07243	6.4
231.08029	12.2
232.08646	3.3
233.05984	4.9
233.09599	1.2
234.06789	1.8
235.07652	1.0
235.11214	1.0
237.09109	2.1
242.07263	1.4
243.08075	0.9
245.05960	2.5
245.09679	1.3
246.06787	5.0
247.07539	10.4
248.08345	10.5
249.08992	1.9
250.06381	1.3
258.06747	5.0
258.68381	0.7
259.07541	9.6
260.08246	5.2
261.05487	10.3
261.09000	2.5
262.06119	1.9
262.09653	1.0
263.06888	0.9
263.10623	2.5
265.08615	5.1
273.05902	0.8
273.09094	17.2
274.06274	3.3
274.09433	1.7
275.06979	8.4
276.07800	32.7
277.08493	6.9
278.09290	0.8
287.06958	1.3
288.07800	0.9
289.04950	3.4
289.08560	7.4
290.05795	1.5
290.09329	11.9
291.10074	13.7
291.13196	0.9
292.10468	0.8
293.08051	3.7
301.08572	9.2
303.06671	1.1
304.07275	14.5
305.07986	8.0
306.08560	0.7
308.10449	3.5
318.08832	2.1
319.09634	100.0
320.10300	16.9
321.07480	1.1
321.10965	1.0
323.12766	4.8
324.12949	0.9
336.09836	3.2
351.12250	44.2
351.21399	35.6
351.24963	0.8
351.25903	1.3
352.12531	3.4
352.21725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00515	0.5
55.05510	0.8
56.05026	2.1
67.05499	1.5
69.03419	0.6
69.74819	1.9
70.06580	1.6
72.08150	1.8
73.06535	0.7
79.05486	0.9
81.03420	0.7
81.07064	0.7
82.06575	1.7
83.07351	0.7
84.08136	100.0
85.08482	2.2
86.09699	1.4
89.06017	0.9
91.05482	1.0
93.07071	1.2
94.51646	0.5
97.01090	0.5
101.04235	31.5
101.05963	0.9
104.98322	1.0
110.07134	1.0
113.00009	1.3
115.05788	1.1
119.04938	0.7
120.08108	0.9
125.04169	0.5
127.05775	3.4
129.10220	1.9
130.08630	7.8
143.08107	0.7
147.04385	0.6
147.11290	2.2
164.39908	0.6
177.04008	23.3
187.02431	1.2
205.03484	5.7
205.06148	1.1
241.33981	0.5
249.18874	0.5
270.09824	2.5
271.10165	0.6
288.10837	27.9
289.11090	1.6
319.12643	0.8
333.13031	1.0
351.14053	55.0
352.14212	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	54.6
56.05030	2.4
56.05827	1.0
58.99581	4.6
66.22897	0.8
70.23031	1.7
76.02225	1.4
81.07050	0.9
83.08613	100.0
84.04498	41.5
84.08946	1.9
86.99031	4.0
88.03980	0.9
101.09650	21.3
102.05490	0.8
102.09967	0.7
105.00080	8.1
113.58922	0.7
114.03723	0.8
122.02710	2.7
129.93539	0.7
130.04990	5.8
138.87666	0.9
142.03217	5.3
159.08400	5.8
187.07870	2.1
188.03769	2.4
189.05246	1.0
205.08922	65.0
206.09236	2.8
222.11580	19.8
254.76733	0.7
279.67325	0.7
288.12677	3.0
333.14780	1.0
334.13239	2.0
351.10709	2.4
351.15854	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	351.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33884	3.8
50.46951	3.6
55.01874	4.6
55.05509	15.5
56.96558	10.0
57.03413	4.7
64.16559	4.0
67.05499	23.0
69.03379	3.6
69.07057	9.2
70.04081	6.8
71.08612	4.9
73.99709	3.8
79.05488	22.9
81.07053	48.9
83.04969	6.8
89.21724	4.3
91.05491	16.5
93.07034	29.1
95.04989	26.5
95.08603	35.2
97.06535	10.4
99.08064	6.1
105.07012	41.4
107.08595	29.7
109.06516	13.1
109.10167	16.4
111.08105	4.3
117.07043	7.0
119.08577	36.7
120.80840	4.2
121.10114	20.5
123.08067	5.7
127.01611	6.6
129.07027	4.9
131.08549	17.2
133.10153	26.1
135.08055	7.3
135.11713	5.1
137.05957	26.8
143.08556	16.0
145.10101	32.8
147.11714	16.8
151.11192	4.9
155.08531	5.8
157.10089	18.8
159.11661	26.0
161.13255	14.1
169.10089	12.6
171.03314	3.8
171.11752	20.0
173.13245	8.7
175.14850	5.4
181.10059	7.5
182.10909	5.3
183.11644	8.2
185.13260	12.6
187.14813	8.8
195.11639	5.3
197.13289	8.7
199.14787	14.9
201.16368	7.6
209.13200	5.0
211.14790	7.4
213.16423	14.3
215.17978	3.5
223.14783	4.3
225.16266	8.7
227.17842	5.6
229.07500	3.9
239.17870	5.0
241.19550	4.9
243.09073	7.7
251.18021	4.4
253.19598	5.2
255.09160	8.2
255.21040	6.4
259.20517	4.3
265.19522	6.7
277.17899	4.9
281.86975	4.2
323.27161	8.1
333.17236	39.6
333.20554	4.3
333.25723	14.4
351.18475	100.0
351.26779	69.9
369.19498	24.4
374.19901	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
55.05511	22.2
56.96574	35.1
57.07074	41.4
65.03936	7.6
67.05496	57.9
67.32998	7.8
69.07059	90.1
70.71301	11.2
71.08643	12.4
74.26453	7.8
79.05489	47.2
81.07056	64.4
85.73363	10.2
89.06037	24.5
91.05480	52.5
91.63857	7.0
93.07039	85.5
95.04964	28.2
95.08617	50.8
97.06528	8.1
105.07020	60.6
107.08582	45.2
109.06520	20.9
109.10146	17.6
115.07592	11.9
117.07001	18.9
119.08591	54.8
121.10165	30.5
123.11658	10.1
124.03959	21.0
126.99443	11.3
131.08578	28.3
133.08626	10.9
133.10126	41.4
135.11728	25.4
141.01068	13.0
142.07765	8.6
143.08629	21.3
145.10109	35.3
147.11667	41.4
149.13196	16.5
155.02579	9.6
155.08536	8.9
157.10129	25.5
159.11696	27.6
161.13283	28.6
169.10162	18.7
171.11748	18.6
173.13293	12.6
175.11139	9.7
183.11700	13.9
185.13295	24.7
197.07343	55.6
197.13301	13.6
199.06291	11.2
199.14755	17.6
213.08020	21.7
213.16457	16.9
217.07553	7.6
219.69698	7.7
225.16290	8.5
229.07497	40.3
231.08957	18.8
241.19543	26.2
247.08466	42.9
253.19463	9.0
259.20444	55.9
277.21756	16.8
296.38644	8.7
333.17041	10.4
333.25690	28.5
351.08676	8.1
351.18973	33.7
351.26837	100.0
369.19366	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	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.0
55.05498	23.0
56.96559	23.9
57.07064	8.2
65.67885	6.2
66.93766	5.2
67.05495	42.6
69.07072	13.5
69.10017	27.4
69.10423	11.2
69.41349	6.0
79.05495	38.3
81.07048	98.9
83.04971	11.2
83.08620	7.1
91.05479	36.4
93.07032	57.9
95.04964	20.0
95.08600	54.4
105.07018	57.6
107.08593	47.7
109.06516	14.8
109.10159	26.2
111.04443	5.5
117.07030	13.5
119.08587	44.3
121.10110	29.5
123.11697	6.6
127.01517	9.6
128.06236	8.7
129.07028	10.2
131.08566	33.9
133.10098	39.1
135.11665	25.0
137.05995	39.8
141.06975	7.9
143.08534	19.4
145.10100	34.9
147.11681	34.2
149.09647	9.3
149.13246	19.7
155.08577	10.6
157.10097	27.4
159.11659	35.1
161.13235	20.4
169.10109	16.9
171.11697	30.3
173.13297	18.5
175.14854	8.7
181.10110	6.1
183.11678	12.5
185.13226	20.1
187.14830	10.7
197.13271	16.4
199.14798	24.3
207.11597	7.5
209.13170	7.8
211.14871	10.8
213.07938	9.8
213.16278	11.4
229.07445	9.5
235.14841	6.2
239.18071	8.7
241.19572	12.0
253.19455	12.8
259.20599	12.9
277.17957	12.5
277.21573	10.3
311.31049	5.8
333.17072	11.2
333.20599	7.1
333.25494	16.8
341.96075	5.6
351.12207	13.3
351.17877	45.6
351.21912	20.5
351.26733	100.0
369.19376	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	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.35246	0.6
55.05515	0.7
56.49851	0.6
64.61955	0.5
70.16807	1.3
71.08672	0.6
146.35738	0.6
235.12993	0.6
263.12366	0.6
268.66080	0.6
351.21399	100.0
352.21698	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	351.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
67.05494	2.2
69.03403	0.7
69.07053	1.1
70.49953	0.6
70.50287	0.8
71.05038	0.5
74.01391	0.5
76.45103	0.5
79.05489	2.8
81.07056	3.5
90.96792	0.6
91.05480	3.3
93.07037	3.4
95.04962	0.9
95.08604	3.1
97.30102	0.5
105.04511	0.6
105.07026	3.6
107.08569	2.6
109.06506	0.8
109.10153	1.3
111.04331	1.0
111.72880	0.5
111.91462	0.5
115.05448	0.5
115.39223	0.5
117.06985	1.1
119.04942	0.7
119.08570	3.2
121.10133	1.6
127.01572	2.2
131.08562	2.3
133.06523	1.4
133.10153	1.9
135.04387	2.1
135.11699	1.0
138.39485	0.5
143.08548	1.4
145.10121	2.1
147.04422	0.9
147.11676	1.7
149.13283	0.9
157.10072	1.4
159.08041	0.7
159.11752	1.7
161.13246	0.6
169.10146	0.8
171.11632	1.5
173.13261	0.6
183.11623	0.6
185.13232	1.3
196.12601	0.5
197.13255	0.9
198.72551	0.5
200.12073	0.5
207.06522	0.6
211.14845	0.6
239.17989	0.8
245.04453	0.5
245.15172	1.2
253.19467	0.9
259.20697	2.7
263.05557	0.8
273.86295	0.5
293.22821	0.7
333.05099	0.6
333.20367	1.6
333.25986	0.9
351.21381	100.0
352.21695	6.5
358.19736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
60.95904	0.4
63.71492	0.4
67.05495	1.0
68.64607	0.4
79.05494	0.8
81.07056	0.9
91.05488	0.7
93.07037	0.9
95.08586	0.7
105.07011	0.8
107.08581	0.7
119.08620	0.6
127.01549	0.7
131.08554	0.5
133.10172	0.4
145.10052	0.5
149.13228	0.5
161.13300	0.6
163.27951	0.4
174.42302	0.4
228.72676	0.5
319.09567	0.8
351.21396	100.0
352.21671	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	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.49781	0.5
55.05504	1.0
67.05501	3.2
69.07056	1.0
71.08617	1.5
76.31225	0.5
79.05492	3.0
81.07042	2.6
83.08611	1.0
91.05486	1.7
91.64980	0.5
93.07038	2.4
95.08603	2.0
98.23423	1.5
99.08100	1.3
105.07019	1.2
107.08598	1.9
109.10139	1.6
119.08582	1.5
121.10211	1.1
127.01572	1.2
133.10133	0.8
135.11703	0.8
145.10091	1.0
147.11687	1.5
157.10109	0.6
161.13255	1.2
179.14316	0.7
239.68788	0.6
259.20416	0.6
277.21545	1.7
351.21390	100.0
352.21744	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05502	1.2
67.05494	2.2
69.03403	0.7
69.07053	1.1
70.49953	0.6
70.50287	0.8
71.05038	0.5
74.01391	0.5
76.45103	0.5
79.05489	2.8
81.07056	3.5
90.96792	0.6
91.05480	3.3
93.07037	3.4
95.04962	0.9
95.08604	3.1
97.30102	0.5
105.04511	0.6
105.07026	3.6
107.08569	2.6
109.06506	0.8
109.10153	1.3
111.04331	1.0
111.72880	0.5
111.91462	0.5
115.05448	0.5
115.39223	0.5
117.06985	1.1
119.04942	0.7
119.08570	3.2
121.10133	1.6
127.01572	2.2
131.08562	2.3
133.06523	1.4
133.10153	1.9
135.04387	2.1
135.11699	1.0
138.39485	0.5
143.08548	1.4
145.10121	2.1
147.04422	0.9
147.11676	1.7
149.13283	0.9
157.10072	1.4
159.08041	0.7
159.11752	1.7
161.13246	0.6
169.10146	0.8
171.11632	1.5
173.13261	0.6
183.11623	0.6
185.13232	1.3
196.12601	0.5
197.13255	0.9
198.72551	0.5
200.12073	0.5
207.06522	0.6
211.14845	0.6
239.17989	0.8
245.04453	0.5
245.15172	1.2
253.19467	0.9
259.20697	2.7
263.05557	0.8
273.86295	0.5
293.22821	0.7
333.05099	0.6
333.20367	1.6
333.25986	0.9
351.21381	100.0
352.21695	6.5
358.19736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01870	8.0
55.05510	10.6
56.96563	8.4
57.03437	6.5
57.07061	1.6
65.03930	0.9
67.05502	20.5
69.07063	6.6
69.22163	1.7
69.22553	3.1
71.04973	1.2
71.08624	5.1
75.97707	1.0
76.26388	0.9
79.05490	15.4
81.03397	1.8
81.07052	45.0
82.03740	0.8
82.07363	1.3
83.04957	3.3
83.08585	4.0
85.06505	1.6
91.05481	9.2
93.06535	1.0
93.07037	13.0
95.04938	3.6
95.08595	13.7
97.06516	1.5
97.10099	1.5
99.08075	2.6
105.06448	1.0
105.07011	10.1
107.08600	10.6
109.06515	10.7
109.10160	7.1
110.38502	1.0
111.04444	13.5
111.08032	1.2
117.05686	1.0
117.06981	2.6
119.08588	9.3
121.10152	7.3
123.08059	1.7
123.11648	2.8
125.05914	3.2
125.09634	1.6
129.06944	1.5
131.08514	3.8
133.10135	8.7
135.08069	2.4
135.11719	6.6
137.05971	100.0
137.09486	2.2
137.13210	1.8
138.06277	2.7
143.08487	3.2
145.10045	3.5
147.08038	2.0
147.11674	8.7
148.07494	1.6
149.09564	3.4
149.13176	3.9
151.07445	2.7
151.11105	2.7
157.10139	2.2
159.11641	2.0
161.09624	6.4
161.13239	6.4
163.11086	3.8
163.14734	1.4
165.09096	1.6
165.12669	1.9
171.11641	3.2
173.13113	1.8
175.11092	3.6
175.14732	3.4
177.12637	1.3
179.10649	2.3
179.14218	1.9
185.13167	2.3
186.05132	1.5
189.12646	1.8
199.06334	2.4
199.14728	1.1
203.05920	1.3
203.14197	1.0
203.17908	5.6
207.13698	1.3
211.18713	0.9
213.16267	2.8
217.07373	1.7
221.19002	1.3
225.07942	1.6
231.15582	1.0
231.17445	10.2
231.20932	1.5
237.07890	2.3
241.15848	1.8
241.19513	1.7
249.18469	9.7
255.09053	6.0
255.85733	1.0
259.20483	5.0
273.09988	4.3
277.17825	35.6
277.21341	6.7
278.18167	1.9
295.18982	6.9
333.17322	9.6
351.18195	31.8
351.25208	7.8
352.18570	2.5
352.25256	1.2
369.19510	12.6
370.19742	1.0
374.19675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01871	8.8
55.05507	25.1
57.03428	11.9
57.07076	4.8
58.02551	1.9
65.03941	2.5
67.05493	60.3
68.05840	2.6
69.07064	20.9
71.04995	3.3
71.08601	2.2
71.43102	2.7
75.04456	2.9
77.03922	2.5
79.05483	87.0
81.07047	93.0
83.04984	5.7
83.08612	13.1
85.06552	3.0
86.40976	2.1
91.05471	71.3
93.01061	2.1
93.07033	100.0
94.07337	3.1
95.04961	10.0
95.08588	49.7
97.06544	5.0
97.10163	3.4
99.08098	5.9
105.04519	2.8
105.07018	61.1
106.07393	4.0
107.08576	57.4
107.09240	3.7
109.06519	12.1
109.10144	17.9
111.04445	13.3
111.08067	1.8
117.07011	15.2
119.08562	58.0
121.06580	2.3
121.10136	55.2
122.10490	2.2
123.08068	2.8
123.11712	5.9
125.06012	2.8
127.01540	12.1
129.06990	11.1
130.07635	1.9
131.08549	26.6
133.10115	55.8
135.08049	7.1
135.11676	52.8
137.05959	90.4
137.09537	2.7
143.08530	11.7
145.10086	23.3
145.11031	2.3
147.08026	3.5
147.11659	59.5
149.09665	6.6
149.13235	27.1
150.13611	2.0
151.11183	3.5
157.10095	13.9
159.11668	23.4
161.09612	5.5
161.13217	42.0
162.13599	2.6
163.11230	5.8
163.14818	11.5
163.93208	1.9
165.09145	2.6
165.12827	2.5
171.11656	14.5
173.13220	14.6
175.11237	6.4
175.14810	23.1
177.12805	5.5
179.10634	2.9
183.11690	2.3
185.13211	14.8
187.14812	3.2
189.12741	4.3
197.13243	2.4
198.38655	1.8
199.14825	6.7
203.17972	4.0
213.16444	5.9
217.15948	2.6
217.19553	5.5
231.17429	13.2
231.21030	11.0
238.92015	2.0
241.19481	32.5
242.19893	2.3
249.18513	7.7
259.20557	95.9
260.20929	3.9
273.11304	2.4
277.18015	32.5
277.21613	17.7
278.18381	2.0
283.98358	2.1
295.19073	6.4
333.24219	6.5
351.04770	5.5
351.21307	41.2
351.25357	64.1
352.25616	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01865	8.2
55.05505	26.4
57.03439	12.0
57.07063	5.6
61.79666	1.6
64.84068	1.6
65.03941	2.7
66.64563	1.5
67.05497	46.1
69.03409	2.5
69.07066	17.9
71.04990	5.3
71.08637	3.1
75.04474	4.6
77.03904	3.1
79.05483	75.0
81.07048	86.3
83.04980	6.5
83.08598	12.8
85.06545	4.8
85.10194	1.5
88.30379	1.5
91.05470	58.4
93.01048	4.5
93.07033	96.3
95.04970	11.4
95.08593	47.8
97.06538	4.7
97.10196	3.4
99.08102	6.3
105.04529	2.9
105.07018	64.9
105.07737	3.4
107.08585	56.5
109.06497	13.3
109.10150	16.3
111.04437	15.9
111.08073	4.6
113.09628	2.0
117.07010	13.7
118.00878	1.5
119.08569	58.4
121.10126	43.6
123.08080	3.6
123.11702	5.7
125.06027	2.6
127.01572	20.8
129.06940	8.5
131.08568	21.2
133.10112	51.6
135.08049	2.4
135.11678	44.6
136.12071	2.0
137.05957	88.0
137.09595	3.8
138.06279	3.4
139.11221	1.8
143.08543	7.1
145.10117	26.2
147.08057	2.9
147.11664	55.0
149.09598	4.2
149.13242	30.3
151.07526	3.2
151.11192	2.1
155.08588	3.1
157.10101	9.7
159.11679	20.1
161.09631	6.3
161.13242	39.2
162.13489	2.2
163.11189	5.9
163.14801	8.7
165.12723	3.3
171.11650	12.2
173.13229	12.5
175.11183	5.3
175.14801	18.8
177.12781	4.7
179.10661	2.7
179.14302	2.3
185.13245	14.4
187.14787	3.8
189.12749	5.3
189.16403	1.9
199.14836	7.4
201.16309	2.1
203.14293	3.3
203.18018	4.8
207.13632	1.7
213.16385	9.4
215.17886	2.2
217.19452	4.0
220.95378	2.0
221.15305	1.9
221.19064	2.3
231.17505	9.3
231.21016	10.5
238.91808	5.1
241.19489	41.7
241.21846	3.0
242.19846	2.7
249.18527	9.7
259.20547	100.0
260.20966	6.5
273.11172	3.4
277.17981	38.2
277.21606	19.7
278.18350	2.1
294.07416	1.9
295.19028	6.4
333.24136	10.8
336.70462	1.6
351.04767	5.7
351.21298	44.9
351.25339	72.5
352.21552	4.3
352.25443	6.0
360.83038	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
51.88767	1.4
53.03949	2.8
55.01866	3.4
55.05508	19.8
55.55608	1.7
56.67526	1.9
57.03434	17.7
57.07072	4.0
62.99730	1.7
65.03945	2.2
67.05502	56.9
69.07063	17.1
71.04990	2.4
71.08627	100.0
71.43388	1.7
72.08984	1.9
74.58792	1.5
79.05488	43.0
81.03420	6.3
81.07053	48.3
82.07427	1.4
82.18430	1.3
83.04986	10.4
83.08623	10.7
85.06517	3.6
85.36777	1.4
91.05472	31.4
93.06451	2.5
93.07042	49.3
94.07421	1.5
95.04964	14.2
95.08606	36.1
97.06516	8.2
97.10161	3.6
99.08089	83.1
100.08434	1.4
105.04520	3.8
105.07028	28.3
107.04908	7.9
107.08592	23.6
109.06513	3.0
109.10160	10.6
111.08081	4.1
112.99997	19.1
113.09623	2.7
117.07011	11.8
119.08572	24.8
121.06479	1.8
121.10134	15.9
123.08035	2.5
123.11710	1.8
125.09631	3.9
127.01561	56.4
127.11174	2.1
129.07010	5.5
131.08595	6.3
133.06461	1.7
133.10135	15.3
135.08063	2.3
135.11685	18.9
137.09621	3.5
141.09062	2.4
141.12730	1.6
143.08559	4.4
145.10114	12.9
147.11703	12.7
149.13249	5.9
151.11177	38.0
157.10179	3.9
159.11720	6.0
161.13254	23.5
163.11160	21.8
163.14761	3.6
165.12723	2.7
167.10693	2.0
171.11716	6.4
173.11801	3.1
173.13249	4.5
175.14783	3.1
177.12753	2.8
179.14279	28.3
179.15718	2.4
185.13274	4.6
187.14807	2.0
189.12787	2.7
199.14827	4.2
206.98192	4.0
209.00830	1.9
215.60780	1.7
221.15306	2.4
231.21069	2.1
241.19464	7.6
259.07797	1.6
259.20544	8.4
277.21622	29.4
288.97528	1.5
319.09628	2.0
321.49329	1.8
333.04874	1.5
351.21063	3.8
351.25018	26.1
352.25766	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
53.99916	1.6
55.05510	15.4
57.03434	5.2
63.88647	1.7
65.03910	2.3
67.05501	48.9
69.07056	15.1
69.53455	8.7
71.04992	4.6
75.04425	1.9
77.03925	3.7
79.05490	59.3
79.05952	4.1
81.07054	54.3
82.07389	2.8
83.08601	6.6
85.06524	2.8
91.05480	58.1
92.05792	1.9
93.07040	77.8
95.04959	8.2
95.08605	33.0
97.06534	3.9
97.10154	3.2
99.08096	5.8
105.04518	2.2
105.07019	60.2
107.08586	41.8
109.06507	4.4
109.10177	13.9
111.08105	2.7
111.97778	1.8
117.07001	17.6
119.08572	51.0
121.10141	38.5
123.08085	2.5
123.11668	4.5
128.06216	2.3
129.07004	7.4
131.08559	23.9
133.10120	54.1
134.10562	1.9
135.11679	32.4
135.12654	2.8
137.09627	2.6
143.08534	10.5
145.10112	27.6
147.11682	53.9
149.09631	2.6
149.13245	17.9
151.11247	4.0
157.10162	13.1
159.11685	24.0
161.13239	43.1
163.11136	3.4
163.14819	7.1
171.11726	16.6
173.13258	13.4
175.14822	15.7
177.02873	2.1
177.12830	2.8
185.13277	13.0
187.14778	3.1
189.12631	2.4
199.14844	7.1
213.16379	5.4
217.19377	2.5
231.03407	1.9
231.21060	9.5
241.19495	27.9
259.20572	100.0
260.20932	6.0
273.09119	1.8
277.21613	7.5
319.09610	10.5
333.24268	2.8
351.12204	3.0
351.25232	57.6
352.25705	3.0
369.67578	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.2
53.31594	1.5
55.01865	7.4
55.05256	2.9
55.05510	38.5
57.03434	25.9
57.07069	8.4
59.81223	1.4
65.03942	4.6
67.05504	100.0
67.41376	1.8
69.06718	2.0
69.07066	32.6
71.04984	5.3
71.08630	46.2
79.05489	81.1
81.03403	8.1
81.07056	88.2
81.65409	1.8
82.07382	2.3
83.04984	11.7
83.08630	17.5
85.06544	5.3
91.05473	50.3
93.07040	87.5
95.04967	18.9
95.08603	55.8
97.06521	11.2
97.10178	13.2
99.08089	36.2
103.92957	1.8
105.04538	2.6
105.07027	44.1
107.04944	8.5
107.08588	64.3
109.06525	4.8
109.10154	34.8
111.08081	4.9
113.09650	4.7
117.07028	12.1
119.08576	39.3
121.10142	43.7
123.08060	4.5
123.11695	4.9
125.09633	6.3
129.06966	5.5
131.08571	11.6
133.10130	32.3
135.08102	2.2
135.11691	47.5
137.09645	5.5
139.11153	2.7
141.09068	3.6
143.08563	5.5
145.10158	12.3
147.11682	22.9
149.09616	3.5
149.13249	23.7
151.11176	18.6
157.10110	4.5
159.11732	15.3
161.13258	20.3
162.66914	1.7
163.11165	8.0
163.14830	6.9
167.10716	3.6
171.10248	1.9
171.11739	6.2
173.11850	2.6
173.13268	7.9
175.14859	8.0
177.12669	4.8
179.14304	80.8
180.14639	2.6
185.13275	6.8
189.11200	4.8
189.12650	3.8
193.15967	2.1
199.14799	5.3
203.14383	2.0
211.74435	2.1
213.16272	3.4
217.15909	2.6
221.15318	5.2
231.17407	2.2
231.21089	3.7
233.46490	2.1
235.16928	5.0
238.72751	1.8
241.19475	10.2
259.17838	2.2
259.20572	35.0
260.20901	3.5
277.21600	49.0
295.87900	2.1
333.24277	3.8
341.21240	2.2
351.25287	62.5
352.25482	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.05513	29.6
55.45917	3.5
56.96561	2.8
57.03439	16.0
57.07058	2.8
67.05156	5.7
67.05499	75.1
68.53342	2.9
69.03424	3.9
69.07066	20.8
69.94625	7.0
69.94975	3.4
71.08626	51.6
79.05489	55.0
81.03400	6.3
81.07052	67.0
83.04980	13.7
83.08609	11.4
85.06551	6.3
91.05476	41.4
93.07044	69.7
95.04948	12.2
95.06095	3.6
95.08604	45.1
97.06531	12.1
97.10152	8.2
98.22679	3.3
99.08095	40.0
105.04493	7.7
105.07022	25.6
107.04957	9.0
107.08591	41.4
109.06544	6.8
109.10162	25.7
111.08054	3.7
113.09666	5.3
117.07062	4.9
119.08566	24.5
121.10150	31.0
123.11721	5.3
125.09658	4.1
129.06938	3.3
131.08536	8.6
133.10121	21.1
135.11694	39.1
137.09586	4.0
139.11212	3.3
141.09064	2.9
143.08507	3.6
145.10139	6.8
147.11699	13.9
149.13251	17.8
151.11195	21.1
159.11664	7.0
161.03444	11.4
161.13254	13.3
163.05020	3.7
163.11143	11.5
165.12636	3.9
171.11699	6.5
172.12267	3.1
173.13298	3.8
174.85646	2.9
175.14832	4.4
177.12724	4.6
179.14305	100.0
180.14609	3.3
181.12296	4.1
185.13181	5.1
191.04430	4.0
194.46521	3.1
201.36040	2.8
216.63019	2.8
219.04037	20.7
231.03989	18.2
235.16945	7.2
241.19528	5.7
247.03421	17.2
259.20575	13.6
277.21628	40.1
278.22116	4.8
333.08722	4.5
346.03308	3.4
351.09689	12.8
351.13947	4.8
351.21368	5.9
351.25183	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01877	1.3
55.05507	13.0
56.00596	1.0
57.03429	1.6
57.07061	1.5
59.05005	2.6
60.64333	0.9
65.03915	1.7
67.05502	21.7
69.03432	1.4
69.07057	12.6
69.28595	3.7
69.28992	2.2
71.04993	1.5
71.08630	2.2
77.03905	1.9
79.05485	25.5
81.07052	63.1
82.07389	1.2
83.04974	4.0
83.08629	4.1
85.06545	1.6
91.05470	25.2
93.06445	2.5
93.07038	49.5
95.04963	14.9
95.08599	40.1
96.08922	1.6
97.06503	5.7
97.10146	1.8
99.08092	1.1
103.05448	1.7
105.07022	47.1
107.04956	1.5
107.08582	38.3
109.06493	6.9
109.10142	16.5
111.08076	2.5
114.85326	1.1
115.05464	2.4
117.07011	8.3
119.08572	59.7
120.08926	2.5
121.06492	11.0
121.10136	30.6
123.08076	4.7
123.11722	3.8
125.09647	1.7
128.06256	2.9
129.06979	6.6
130.07750	2.6
131.08557	21.5
131.09459	1.7
133.06596	1.2
133.10107	22.5
135.08037	4.0
135.11682	16.6
137.09601	3.4
141.07007	4.0
142.07719	5.3
143.08559	19.0
144.09283	1.6
145.06473	1.2
145.10117	36.8
146.10835	1.2
147.08044	2.4
147.11668	21.3
149.09654	3.2
149.13258	6.3
151.11211	2.2
155.08553	10.1
156.09378	4.5
157.10106	24.1
158.10828	2.1
159.08058	2.0
159.11684	30.5
159.12961	2.0
159.73294	1.0
161.09608	2.8
161.13240	10.7
163.11183	2.1
163.14804	2.2
165.12793	4.1
167.08582	1.4
168.09401	1.9
169.10126	10.9
170.10899	2.6
171.07965	1.3
171.11668	17.6
172.12486	1.1
173.09691	2.3
173.13255	13.2
175.11246	2.0
175.14798	5.1
177.12746	1.2
179.08510	1.7
179.14317	2.7
181.10051	5.2
182.10976	2.5
183.11649	14.5
185.09669	1.4
185.13237	15.4
187.11237	1.3
187.14787	10.0
189.12740	3.2
189.16409	3.0
191.14221	1.3
193.10120	2.1
194.10893	1.1
195.11743	7.1
196.12366	1.9
197.13261	14.0
198.13950	1.8
199.14818	14.3
201.12782	2.1
201.16435	5.2
203.14206	1.9
207.11720	2.7
209.13199	8.6
210.13927	1.1
211.14816	9.5
212.15474	1.3
213.12868	1.8
213.16328	10.7
215.14352	6.6
215.18022	2.4
217.15933	2.4
220.12500	1.1
221.13330	3.2
223.14861	7.2
224.15457	1.4
225.12772	1.3
225.16354	7.5
227.14359	1.6
227.17964	9.4
229.16022	1.5
229.19336	1.7
233.13170	1.4
235.14874	4.1
237.16301	5.6
239.17903	6.3
241.15868	2.7
241.19530	5.5
243.17438	1.1
249.16322	2.2
251.17990	5.6
253.19516	4.6
254.20206	1.2
255.17406	1.7
255.21162	2.4
257.19049	2.2
259.20587	2.3
263.17957	3.3
264.18582	1.2
265.19550	4.5
266.20160	1.1
267.21036	7.9
268.21869	1.1
269.19040	2.3
271.20612	2.6
277.19513	3.5
279.20892	1.1
281.18976	2.2
283.20688	3.3
289.21692	1.7
291.21167	2.3
293.22693	2.0
295.20554	3.3
307.24255	1.8
309.22391	1.3
323.27420	4.2
333.25687	21.0
334.26236	1.5
351.26819	100.0
352.27191	7.4
352.31479	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05511	9.8
57.07068	1.9
65.03928	1.4
67.05500	15.8
69.07059	9.8
69.60562	5.6
71.04978	3.5
72.04507	4.3
76.64074	1.2
79.05486	19.7
81.07052	48.4
83.04972	1.7
83.08617	3.3
89.72755	1.4
91.05469	22.1
91.05990	2.2
93.07038	36.3
95.04979	9.0
95.08024	1.9
95.08608	31.9
95.09216	1.7
97.06535	8.0
97.10158	1.5
105.04487	1.7
105.07025	42.6
105.07733	2.3
106.07332	1.5
107.04939	1.8
107.08590	29.8
107.27727	1.3
109.06510	5.0
109.10146	14.4
109.96582	1.1
110.26702	1.1
111.08070	1.3
115.05495	1.4
117.07014	9.3
119.08574	50.6
121.06477	7.4
121.10133	21.3
123.08041	8.6
123.11694	5.5
125.09614	2.5
128.06200	2.4
129.07002	5.4
130.07782	2.1
131.08557	20.0
132.15358	1.3
133.10120	18.6
135.08063	2.4
135.11697	12.0
136.85986	1.4
137.09602	1.2
141.06946	3.2
142.07762	4.7
143.08563	20.1
144.09381	2.7
145.10115	33.9
145.86966	1.2
147.11670	19.3
149.09644	3.4
149.13255	5.4
150.41878	1.2
153.06877	1.4
154.07742	1.2
155.08537	10.8
156.09283	4.9
157.10124	21.3
158.10837	2.3
159.08061	1.5
159.11678	26.3
161.03474	2.6
161.09550	2.1
161.13234	9.7
163.11166	2.3
163.14772	2.3
165.07014	1.5
167.08609	1.9
168.09328	1.4
169.10109	13.6
170.10976	2.9
171.11693	17.0
173.09627	2.5
173.13258	15.2
175.11215	3.5
175.14792	6.2
179.08565	1.6
181.10114	4.0
182.10945	2.7
183.11684	12.6
185.13277	13.2
187.11287	2.2
187.14780	11.7
188.15341	1.2
189.12677	1.3
189.16382	2.2
193.10114	1.9
195.11673	8.5
196.12440	1.9
197.13223	11.1
198.14897	1.6
199.14871	14.5
200.15314	1.6
201.12732	1.7
201.16411	5.9
203.14240	1.7
207.11594	2.5
209.13252	7.1
211.14844	11.2
213.16422	13.2
215.14294	3.4
215.17926	2.6
221.13240	4.5
223.14877	5.7
225.16313	8.4
227.14374	1.9
227.17987	4.9
229.19620	1.6
231.04135	1.3
235.14799	3.8
237.16365	4.8
239.14378	1.5
239.17932	5.6
241.15883	1.6
241.19490	1.3
241.49312	1.2
243.17430	1.4
249.16266	4.1
251.18018	4.7
253.19487	6.6
255.20966	1.7
263.17957	3.3
265.19504	3.7
267.21039	9.0
269.18884	2.4
277.19550	5.4
279.21030	2.1
281.19089	1.6
291.21002	2.1
293.22583	4.3
295.20554	2.6
309.22061	2.0
323.27332	4.4
333.25732	13.8
351.26801	100.0
352.27130	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	351.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41110	0.4
53.03937	1.2
55.01864	0.7
55.05510	5.6
57.07066	1.3
62.49800	0.5
65.03940	3.6
67.05501	15.3
69.03423	2.0
69.07067	6.4
69.34029	0.9
69.34416	1.2
71.04988	0.6
75.82975	0.4
79.05491	10.1
81.07055	24.1
82.61001	0.5
83.04988	2.1
83.08633	2.5
83.16512	0.4
85.06535	0.7
85.83343	0.5
91.05473	12.0
93.07040	17.3
95.04964	100.0
95.08598	19.2
96.05283	1.6
97.06527	1.9
97.10146	1.5
103.43660	0.6
105.04532	0.6
105.07024	19.0
106.07328	0.5
107.04948	0.6
107.08591	19.1
109.06513	20.8
109.10152	9.4
111.08106	1.4
111.11733	0.5
115.05455	0.9
116.06136	0.5
117.06996	4.2
119.08577	16.3
121.06494	4.7
121.10126	9.9
122.10471	0.6
123.08089	3.8
123.11710	4.6
128.06229	1.6
129.06976	4.0
130.07773	1.3
131.08562	11.9
133.06479	0.6
133.10123	10.1
135.08044	5.5
135.11678	5.3
137.09596	2.1
137.13312	0.6
141.06979	1.2
142.07799	2.6
143.08566	7.6
144.09361	0.7
145.06471	1.0
145.10118	13.9
145.11220	0.9
147.08078	1.3
147.11676	9.0
148.12059	0.5
149.09605	2.5
149.13240	3.6
151.11247	0.7
153.06886	0.7
155.08553	4.0
156.09363	2.6
157.10117	8.0
159.08089	2.9
159.11688	12.5
159.12949	0.9
160.08791	0.7
161.09608	5.2
161.13245	5.5
162.13567	0.5
163.11186	1.6
163.14867	1.3
167.08571	1.3
168.09338	0.6
169.10110	3.3
170.10826	0.9
171.08037	1.2
171.11676	6.8
173.09659	4.1
173.13251	7.3
175.11183	3.5
175.14790	2.8
177.12741	1.3
177.16364	0.7
179.08577	0.6
181.10124	2.2
182.10863	0.6
183.11670	4.3
184.12198	0.5
185.09633	1.2
185.13229	6.4
187.11188	2.5
187.14812	5.6
189.12753	2.6
189.16331	1.2
194.11060	0.6
195.11705	2.2
196.12465	0.9
197.09686	0.5
197.13295	4.1
199.11201	1.4
199.14813	4.1
201.12759	2.2
201.16333	3.4
203.14284	0.8
205.15965	0.8
207.11659	1.3
208.12613	0.5
209.13185	2.7
210.13945	0.7
211.11240	0.7
211.14842	3.1
213.12741	1.7
213.16399	2.8
214.13530	0.6
215.14253	2.5
215.17940	1.2
217.15810	0.6
221.13303	1.2
223.14835	1.8
225.16359	2.9
227.14259	4.0
227.17935	1.7
229.15840	2.0
235.14867	0.9
237.16431	1.6
238.17076	0.6
239.17987	1.5
239.25276	0.5
241.15829	1.9
241.19580	1.4
243.17415	1.2
243.21030	2.4
244.21391	0.6
249.16364	1.1
251.17990	1.5
253.15866	0.6
253.19521	1.7
255.17384	1.6
255.21088	5.4
263.18027	1.1
265.19632	0.9
267.17407	0.6
267.20978	1.4
269.19089	1.0
269.22653	1.4
277.19516	1.0
279.21106	0.9
281.18933	1.1
283.20572	1.4
291.20981	0.9
293.22726	0.9
295.20581	1.7
295.23767	0.6
309.22137	1.3
323.27368	1.2
333.25671	7.5
351.26801	51.9
352.27197	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1181
Annotation	Berlambine
Peak:m/z	Relative Intensity
56.05046	0.2
62.35546	0.2
65.03924	0.4
68.99781	0.6
70.06596	0.2
71.43007	0.3
71.43391	0.3
77.00278	0.3
79.01835	0.5
79.05480	0.4
80.05013	1.3
86.98328	0.2
91.05478	0.9
94.06563	0.4
95.04958	0.3
101.06063	0.3
103.05437	0.8
105.03373	0.3
106.06521	0.7
107.04926	0.4
108.04455	1.4
108.08105	3.3
110.06022	1.6
118.06589	0.2
119.04932	1.4
120.04458	0.3
120.08074	0.8
122.06052	1.9
127.05292	0.2
131.04901	0.9
132.08109	0.2
134.06032	2.1
136.07570	23.6
137.07915	0.6
147.04404	4.6
148.03876	0.6
148.07564	1.6
152.07045	0.7
153.01823	0.5
158.05988	0.4
159.04388	0.3
160.07576	0.4
161.05937	0.3
162.05493	8.7
164.07043	1.4
165.01849	1.7
166.05009	0.3
175.03894	1.8
176.03378	1.1
176.07019	2.1
178.01344	0.4
180.06563	0.8
181.38373	0.2
183.02882	0.6
186.05486	0.5
187.03870	1.0
188.07057	0.6
189.01767	0.5
189.05446	0.2
190.04984	2.9
192.79683	0.2
193.01483	0.5
203.03387	3.8
204.02936	4.1
204.06555	24.7
205.05141	0.2
205.06895	0.9
206.08153	0.5
207.02951	0.4
208.02496	0.3
208.06079	0.9
214.04970	2.6
215.03421	2.3
216.02843	0.6
219.03943	0.5
220.04367	0.3
221.00737	1.5
222.07555	3.5
223.07808	0.3
230.04483	0.3
232.06039	100.0
233.04240	0.3
233.06398	3.6
234.00299	0.4
247.03696	0.4
248.03949	0.4
249.00317	1.2
250.07106	7.2
251.07291	0.3
252.01431	0.8
258.07635	0.4
259.80371	0.2
266.02969	0.4
271.05640	1.3
272.06339	0.9
282.11221	0.4
293.04361	0.5
306.11230	0.3
309.07907	0.4
310.10770	2.2
320.05475	0.3
320.09256	0.4
321.03897	0.8
324.08841	0.4
324.12363	1.0
329.05209	0.4
334.07239	0.3
334.10623	1.3
335.05508	0.3
347.03763	0.5
352.11783	65.5
353.12146	4.2
353.23694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
59.97367	0.5
64.51329	0.5
67.05509	1.1
68.10711	0.5
69.07054	1.0
71.44809	0.6
78.03464	1.7
79.05508	0.8
81.07038	1.8
91.05479	1.2
93.07005	0.8
95.04964	5.1
95.08604	1.0
96.04488	100.0
97.04841	1.0
105.07039	0.7
109.10207	0.8
112.75203	0.5
116.06255	0.6
119.04940	1.3
123.04421	17.2
125.05967	0.7
128.06198	0.9
136.07564	1.7
144.05713	2.3
145.10135	0.8
155.04924	1.1
156.05617	0.8
159.08037	1.9
171.08034	0.8
172.05217	2.3
183.04466	0.7
187.07530	3.7
190.01343	0.8
199.17012	0.5
208.02498	1.1
215.07024	10.3
215.08983	0.9
257.11707	8.2
304.18039	0.6
336.08807	1.5
352.15491	1.8
352.25452	0.8
353.28461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74855	2.3
53.03925	5.9
55.01861	9.6
57.03443	5.3
61.02924	9.0
67.05485	3.1
68.99789	3.7
69.03433	39.0
69.07065	84.9
71.04982	5.9
72.08157	14.3
73.02912	7.6
79.05502	2.8
81.03413	30.4
81.07053	3.3
85.02403	5.3
85.02902	100.0
86.09731	2.4
87.00825	51.9
91.05472	3.9
93.07014	4.4
97.02887	62.1
98.97593	11.1
99.04461	17.7
105.01865	82.5
105.06935	2.6
109.02878	24.4
114.10268	4.9
116.98625	5.7
120.08119	7.1
121.02880	8.8
124.03922	10.5
126.01015	3.3
126.05569	3.0
127.03906	93.7
129.01833	4.4
131.12918	11.2
134.99710	2.5
145.04948	62.8
147.04401	4.6
159.02863	17.8
159.11324	7.0
181.04996	3.8
189.03967	3.7
195.10194	2.9
198.01910	4.3
205.64351	2.6
212.46794	2.9
225.00356	6.8
229.04962	4.1
231.05002	24.2
249.06067	10.2
352.17380	7.5
352.21600	3.6
353.03281	7.8
353.18124	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	352.1615
Annotation	trans-Zeatin-riboside
Peak:m/z	Relative Intensity
55.01860	0.5
57.03438	0.6
57.07069	0.5
60.05659	0.7
67.05499	1.0
69.03418	0.3
69.76534	1.1
72.08149	1.5
85.02914	0.7
101.72040	0.3
114.10301	0.7
119.03553	1.3
120.01194	0.4
120.08078	0.4
121.02864	3.9
131.12943	2.0
135.06639	0.6
136.06180	99.5
137.04611	0.7
137.06497	1.3
148.06181	3.0
159.06662	1.1
163.03943	0.3
173.08250	0.5
175.09860	0.4
181.04991	0.4
185.08228	5.6
193.79164	0.3
202.10873	8.9
220.11923	100.0
221.12230	3.6
232.44495	0.3
253.15344	0.4
335.03134	0.4
352.16049	10.1
352.21924	0.7
353.04150	2.3
353.17590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05512	0.3
57.03430	0.6
57.07082	0.4
60.04517	0.3
60.05628	0.4
61.02888	0.3
64.26087	0.3
64.45612	0.3
67.05499	1.2
69.03419	0.4
69.07054	0.3
70.06581	0.6
72.08150	3.3
75.90622	0.3
79.05489	0.2
81.07053	0.3
84.08150	0.5
85.02910	1.0
91.05438	0.3
93.07013	0.3
97.02882	0.4
114.10284	0.5
119.03543	1.4
119.93431	0.3
120.01126	0.6
120.08096	1.7
121.02856	4.3
121.03718	0.2
121.04111	0.2
124.03935	0.5
131.12903	1.6
133.98085	0.3
135.06659	0.3
136.06175	100.0
137.04559	0.6
137.06519	1.1
145.04947	0.3
148.06149	2.6
155.10638	0.4
155.91811	0.3
159.06625	1.4
159.11301	0.6
165.33751	0.3
166.08603	1.1
175.09743	0.8
181.04907	0.3
185.08220	6.9
187.10812	0.6
198.97922	0.4
202.10852	9.1
220.11917	97.7
221.12224	3.0
253.11830	0.7
335.03104	0.9
352.16040	8.3
352.21552	0.9
353.04260	2.5
353.16696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1615
Annotation	trans-Zeatin-riboside
Peak:m/z	Relative Intensity
55.01860	0.5
57.03438	0.6
57.07069	0.5
60.05659	0.7
67.05499	1.0
69.03418	0.3
69.76534	1.1
72.08149	1.5
85.02914	0.7
101.72040	0.3
114.10301	0.7
119.03553	1.3
120.01194	0.4
120.08078	0.4
121.02864	3.9
131.12943	2.0
135.06639	0.6
136.06180	99.5
137.04611	0.7
137.06497	1.3
148.06181	3.0
159.06662	1.1
163.03943	0.3
173.08250	0.5
175.09860	0.4
181.04991	0.4
185.08228	5.6
193.79164	0.3
202.10873	8.9
220.11923	100.0
221.12230	3.6
232.44495	0.3
253.15344	0.4
335.03134	0.4
352.16049	10.1
352.21924	0.7
353.04150	2.3
353.17590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89231	0.6
64.80377	0.6
69.73247	2.7
71.08421	0.7
75.26334	0.7
90.52760	0.6
131.04909	1.4
140.03444	0.8
160.04929	0.6
163.03754	0.9
173.05998	0.7
190.01341	3.5
191.03426	2.8
204.02914	1.4
207.02774	1.0
208.02425	5.0
222.03976	0.8
232.02377	0.8
294.07617	2.3
294.10767	0.8
295.09674	2.1
307.02127	1.6
308.02811	0.9
320.99762	1.0
321.03680	57.6
322.04440	73.7
323.04956	5.7
336.08636	6.4
353.06305	100.0
354.06226	5.5
354.10315	1.4
373.02344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67656	0.5
68.99783	0.6
70.06573	0.7
71.43041	0.6
72.43719	0.5
77.00290	51.6
77.00924	1.5
78.00593	0.7
81.07030	0.6
91.05433	1.8
100.07569	0.5
103.05477	4.1
105.03343	0.8
105.06990	0.9
107.01261	0.9
107.06028	1.1
109.02837	0.6
114.00603	0.5
121.02803	0.4
121.06439	1.0
126.09165	0.5
130.02805	0.4
131.01343	1.0
131.04932	12.2
135.00775	4.0
135.05510	1.4
139.05270	0.7
144.99203	14.2
147.00797	0.7
149.02286	1.4
150.02652	0.5
154.04884	1.2
161.03447	1.2
163.00261	37.6
163.05013	2.4
164.00583	1.1
165.01836	1.0
165.06940	0.7
168.35881	0.5
173.05925	0.5
177.01802	1.0
177.06552	0.5
181.01314	5.0
187.05057	1.1
189.01753	0.6
190.01297	1.1
191.04901	1.1
203.04565	2.1
204.02873	1.0
205.01291	2.0
205.03560	1.1
205.06149	3.2
206.06610	0.8
207.02875	1.2
209.00787	4.8
216.97690	1.5
219.04355	1.1
221.00790	1.4
221.05965	1.4
222.01248	0.6
222.03958	1.2
223.02319	2.0
225.05397	2.2
227.01886	1.0
231.04065	2.1
232.02335	1.2
233.00850	0.8
234.06384	1.4
234.98715	5.4
239.01788	2.1
240.02173	3.0
247.03885	2.5
249.00290	1.2
250.03458	1.9
252.99777	100.0
254.00130	3.9
262.05807	1.1
265.04956	1.1
266.05371	0.7
267.01346	72.4
268.01620	2.5
268.04538	1.5
271.06021	0.9
275.03381	1.5
290.05139	0.8
291.06329	0.5
291.11279	1.6
293.04434	3.0
293.08124	1.0
294.04834	0.8
303.02859	0.9
307.02734	0.5
307.10837	0.5
308.06378	1.7
309.07294	1.0
310.10956	0.6
317.09247	1.0
321.03879	14.0
322.04062	2.8
325.08777	0.9
335.07516	4.7
335.10623	0.6
336.08533	0.9
339.04944	5.9
340.05252	0.9
353.06696	4.5
353.09781	1.0
353.13297	0.6
354.09848	1.0
354.27652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0846
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
52.59398	2.5
62.98250	4.2
88.17651	2.4
92.33146	2.3
104.99269	2.7
155.01993	2.9
162.70149	2.7
177.05208	2.6
184.97856	2.5
193.44417	2.6
196.87874	3.2
199.02205	6.8
203.03970	2.5
219.08345	5.2
220.05399	3.9
233.07901	2.4
238.06467	2.6
253.03119	4.5
269.00299	21.9
270.96274	2.3
271.00333	8.9
272.06366	2.8
293.07135	3.7
352.98947	4.6
353.08249	100.0
353.13040	21.4
354.08356	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.1
69.91560	2.6
69.91889	5.0
72.08129	5.9
81.04501	3.1
84.08162	2.0
85.65704	2.0
98.22768	4.2
98.97579	3.5
110.07146	2.8
114.10263	3.0
116.98679	2.8
119.04967	3.9
131.12894	10.5
138.23451	2.0
141.76648	1.9
147.04416	7.2
162.05469	3.8
185.04248	4.2
219.01701	2.5
237.02823	3.3
246.77374	2.0
278.04254	3.2
293.03513	2.2
307.10840	3.0
311.04663	7.9
335.10223	4.2
353.08362	100.0
354.08731	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	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
52.04669	0.8
55.73872	0.9
56.96548	0.8
60.43030	0.9
62.19619	0.8
71.41799	1.3
72.08147	2.6
77.59634	0.8
84.08173	0.8
84.62757	0.8
114.10218	1.0
121.02861	1.4
131.12926	4.3
147.04399	1.5
185.04152	4.4
187.05168	1.2
191.03105	2.1
251.03610	1.0
353.08398	100.0
353.17831	2.6
354.08728	5.0
374.71698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26026	3.5
57.76538	3.3
60.50305	3.3
61.02918	11.4
68.95013	3.7
68.99789	12.4
69.07032	3.2
72.08167	9.5
79.48071	3.1
84.08141	5.0
85.02902	3.4
87.00825	7.9
91.05505	3.1
97.02876	3.8
99.72639	3.1
105.07039	5.0
111.04444	28.3
114.10305	6.0
115.05473	17.4
119.04944	12.7
121.02871	25.6
126.01099	9.9
129.01816	13.8
131.04884	4.9
131.12932	18.3
133.02798	4.1
133.06447	6.2
139.03886	29.3
143.04900	7.6
147.02966	4.5
147.04420	32.3
149.06046	4.4
151.03911	3.8
161.06001	11.1
162.03107	10.5
167.03404	7.0
171.04384	19.2
175.03960	6.5
175.07605	5.7
177.05481	61.1
179.07051	11.0
181.05002	4.3
185.04214	53.7
186.04663	3.8
188.04576	4.4
189.05467	11.2
191.03131	15.3
191.07048	5.5
199.03937	13.9
203.06990	38.5
205.04997	5.2
207.06464	23.5
207.08035	2.8
209.00833	7.1
209.05869	14.3
214.77711	3.8
217.04950	13.1
223.40675	3.9
231.06488	34.8
249.07585	100.0
250.07886	5.7
353.03363	7.5
353.08362	85.3
353.17966	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	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.11578	1.2
56.97551	1.2
60.05646	4.9
70.06573	3.2
70.10718	2.7
72.08154	9.4
73.37281	1.2
84.08163	3.2
97.02893	1.4
113.05970	1.3
114.10309	7.0
119.04935	2.0
121.02862	9.7
130.58215	1.4
131.12924	17.3
155.07005	1.6
181.05054	2.1
197.13953	1.3
207.06462	2.1
334.52106	1.5
353.08411	100.0
353.17834	4.0
354.08792	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	353.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53030	5.0
61.97340	4.6
66.66837	4.8
73.02912	8.6
75.76656	5.4
78.35695	5.3
84.28761	5.4
98.97597	12.7
116.98615	7.0
122.09702	6.0
127.89047	6.1
128.93704	5.4
137.06004	41.4
142.12273	13.6
146.37019	6.1
153.21829	5.1
158.06685	15.4
158.99582	7.3
167.48964	5.4
170.03290	6.0
176.07770	7.4
177.00941	6.0
177.05247	80.3
181.01122	17.2
184.13347	25.2
185.04184	10.6
191.03871	12.0
191.10489	11.9
195.05020	10.8
199.02145	99.1
214.96529	5.6
242.05434	9.8
242.72548	5.5
269.14716	7.5
270.06824	9.0
272.06589	45.4
272.56729	9.7
300.07776	18.4
312.07776	100.0
348.07556	6.4
353.08392	59.4
354.27655	27.3
363.22720	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	353.1019
Annotation	Erysubin A
Peak:m/z	Relative Intensity
54.91865	0.6
55.01868	0.8
59.05002	3.5
68.99783	1.2
70.92930	1.0
79.05501	4.5
81.03422	2.1
81.07085	0.7
89.03919	0.8
91.05437	0.8
93.65769	0.7
95.04940	0.6
103.05446	2.7
103.07572	1.5
105.03396	0.8
105.07030	7.2
108.96081	0.8
109.02869	2.1
115.05409	1.6
117.07007	3.0
120.02129	0.6
121.02866	1.6
123.08059	6.2
127.05486	0.7
128.06161	1.3
129.07010	2.1
133.06491	73.4
133.07549	5.2
134.03635	1.8
134.06805	2.2
135.04402	2.9
137.02344	38.5
137.03394	2.2
141.07039	1.0
142.04173	3.4
145.02841	1.7
145.06467	2.7
146.21043	0.7
147.04395	0.9
149.02263	0.7
155.03557	0.6
155.04901	2.8
155.06023	1.3
157.06482	100.0
158.06847	3.8
161.02350	6.8
162.03133	1.1
163.01010	0.6
163.03876	1.2
169.01366	1.0
173.02411	2.0
173.05954	2.6
177.01878	1.0
179.03413	1.3
183.04434	1.4
189.01898	0.8
190.02611	1.5
190.07750	0.7
191.03378	1.5
191.07034	1.1
197.06009	0.6
201.05457	5.7
203.03362	0.8
219.06494	6.9
219.08391	0.7
233.09625	0.6
234.22028	0.7
249.38206	0.6
252.07951	0.8
261.09131	0.7
262.86877	0.6
264.07748	0.7
265.08508	0.8
266.09454	0.7
267.10178	1.9
278.05573	1.0
279.10281	0.5
285.03912	1.3
289.08633	1.0
292.07346	1.3
293.07996	1.0
297.07285	0.8
307.06015	3.3
307.09619	3.6
309.11249	2.3
311.09116	0.9
323.05441	4.6
324.06281	31.5
325.07019	15.7
325.10428	0.6
335.09109	42.3
336.09338	3.4
353.10178	93.2
354.10480	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	353.1018
Annotation	Erysubin A
Peak:m/z	Relative Intensity
55.01861	1.3
55.05500	0.7
59.05003	3.8
62.55712	0.6
65.03941	0.8
67.05495	0.9
68.99781	1.8
69.12141	4.6
71.34082	0.7
79.05498	5.5
81.03394	1.6
91.05465	1.4
93.03366	0.7
95.04958	1.9
103.05476	3.8
103.07571	0.9
105.07024	9.6
107.10783	0.8
109.02872	2.6
115.05411	1.5
117.03407	0.7
117.07005	2.5
121.02859	2.7
123.08070	7.4
127.03901	1.4
128.06181	1.9
129.07005	2.4
133.06491	81.3
133.07538	6.8
134.03636	2.3
134.06833	2.0
135.04387	2.6
137.02347	40.6
137.03444	3.2
138.02640	0.7
142.04126	3.5
145.02872	1.9
145.06453	3.7
149.02345	1.4
149.05867	0.6
154.51932	0.7
155.04865	2.8
155.05998	1.5
157.06479	100.0
158.06796	4.0
161.02309	8.3
163.03807	1.2
169.01353	0.8
173.02289	2.2
173.05940	3.0
177.01834	2.0
183.04410	1.3
189.01797	1.5
190.02565	1.9
191.03415	2.5
191.06906	1.1
197.05952	1.0
201.05441	5.7
208.03673	1.3
219.06491	7.4
252.07701	1.8
263.86041	0.7
265.08661	0.7
267.10104	1.9
279.06671	0.9
279.09741	0.7
283.06021	0.8
285.03983	1.0
292.07294	1.3
293.07999	1.7
295.05991	1.1
297.07596	1.5
307.05963	4.5
307.09628	4.0
308.06125	1.0
309.07880	0.8
309.11267	2.4
311.09351	0.8
323.05392	5.0
324.06250	30.1
325.07013	16.2
325.10571	0.9
326.07162	0.7
335.09100	49.5
336.09369	4.6
345.88513	0.7
353.10165	99.0
354.10461	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	353.1019
Annotation	Erysubin A
Peak:m/z	Relative Intensity
61.19027	0.8
68.99786	1.3
70.50101	1.3
73.18362	0.7
77.03910	1.2
77.34502	0.8
79.05489	7.9
81.03413	1.5
95.04966	1.8
103.05452	5.2
105.07025	10.1
107.54162	0.8
107.55138	0.7
109.02893	0.9
117.03384	0.8
117.07024	1.1
121.02799	1.3
123.08067	12.4
128.06261	2.0
129.06976	1.6
132.33154	0.8
133.06494	86.1
133.07565	9.6
134.03613	1.3
134.06813	1.6
137.02351	26.6
137.03442	2.8
142.04129	5.0
145.02818	1.2
145.06483	1.8
157.06482	100.0
158.06815	3.7
161.02361	9.2
173.02383	1.0
173.05989	1.6
190.02577	1.2
191.03314	1.8
201.05482	3.2
208.03683	0.9
219.06512	2.3
226.61699	0.9
252.60550	0.9
267.10040	1.3
274.18015	1.0
279.06564	0.9
307.05994	3.3
307.09641	3.2
323.05551	3.2
324.06250	16.1
325.07034	6.4
331.85306	0.8
335.09085	25.5
353.10162	61.5
354.10526	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	353.1128
Annotation	(-)-Monorden E
Peak:m/z	Relative Intensity
59.92928	0.4
61.83398	0.3
67.01562	0.4
67.01871	3.2
68.99767	0.7
69.35006	0.8
69.35402	1.1
81.03374	0.4
91.05441	0.4
103.05418	0.6
105.03371	0.3
105.06989	1.4
131.04980	1.5
140.03427	3.5
154.04964	0.5
162.01881	1.8
188.03413	0.4
190.01331	49.9
191.01622	1.0
191.03285	0.3
192.02931	0.4
204.02908	12.5
208.02386	76.3
209.02696	1.9
222.03966	6.3
232.02386	10.9
233.02837	0.3
250.03438	0.5
252.06561	0.4
294.07571	28.0
295.07846	1.7
308.09216	1.7
336.08621	100.0
337.08963	6.5
353.11285	16.2
354.11569	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	353.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33706	0.9
66.06757	0.9
67.05524	1.0
68.99787	2.3
70.06578	1.0
70.65055	1.1
70.65381	1.0
77.26678	0.9
80.05016	3.7
81.04562	1.6
85.02896	1.0
103.05454	7.2
104.04987	1.8
104.58714	1.0
105.03386	1.1
105.04511	5.6
106.05280	2.7
107.01360	1.8
107.06079	11.1
108.04480	3.2
109.02876	1.6
109.04009	4.2
110.06052	1.7
119.06087	5.4
121.02898	2.1
121.03996	5.0
126.05509	2.3
131.04921	19.3
133.03983	3.9
134.04723	1.5
135.05531	28.6
137.02393	1.1
147.00800	2.8
147.05522	9.2
148.03917	1.8
149.02327	1.5
154.05008	2.8
159.05571	3.4
160.03934	3.2
161.02290	1.5
161.03481	3.1
163.03929	1.1
163.05038	5.0
165.01869	3.4
175.05048	4.7
177.01764	1.2
185.00865	1.2
187.00259	2.5
187.05042	4.5
189.01752	2.2
203.04498	61.6
204.02899	4.5
204.04770	2.1
205.01189	6.7
205.06117	1.9
206.04445	1.2
207.02876	3.9
213.02953	8.7
214.99812	3.4
221.00871	2.3
221.05647	3.1
222.03976	7.2
223.02399	2.4
229.02588	2.4
231.03992	100.0
232.02405	12.3
232.04372	2.7
233.00858	5.2
236.16501	1.2
240.04878	1.4
247.03485	1.8
249.00624	2.6
249.05061	61.3
250.03387	9.0
265.23315	1.2
267.06128	10.4
268.04587	3.0
291.06415	1.7
291.11282	8.3
293.07971	5.5
308.09229	2.0
309.07516	1.3
317.09225	3.0
335.10248	12.4
337.07114	2.0
353.13782	2.8
354.09830	2.2
365.05441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1132
Annotation	(-)-Monorden E
Peak:m/z	Relative Intensity
53.03927	0.5
55.01851	1.7
57.58435	0.4
60.05632	1.2
65.03923	0.7
66.03457	0.5
67.01519	0.5
67.01860	5.8
68.99769	2.0
69.66957	1.0
70.06568	1.5
80.01350	0.4
81.03384	1.0
83.07338	0.8
84.08123	0.6
91.05470	1.3
94.02934	0.4
95.04954	0.5
98.22733	0.5
103.05465	2.2
105.07007	1.3
120.04492	0.5
121.02863	1.0
122.02325	0.5
122.87797	0.5
131.04918	6.5
135.04401	0.8
136.03928	0.7
140.03433	7.7
147.04419	0.9
148.03938	0.7
149.02321	0.7
154.04922	0.5
155.17757	0.4
162.01836	2.3
163.03889	2.5
164.03372	0.9
168.02960	0.8
176.03403	0.9
180.02985	0.6
190.01344	44.0
190.04953	1.3
191.01759	1.0
191.03377	7.7
196.99269	0.7
203.03383	2.3
204.00999	0.5
204.02925	9.7
204.06236	0.4
205.01286	0.6
205.03264	0.7
205.05013	1.0
206.99231	0.4
208.02402	100.0
209.02731	3.1
209.04463	0.7
217.01227	0.5
222.03986	8.3
223.02333	2.2
224.98621	0.6
231.04034	0.5
232.02402	9.7
232.06017	0.7
233.00853	0.6
238.08737	0.5
242.99730	1.0
249.04991	1.7
250.03438	3.1
250.07216	1.7
266.08368	0.5
268.04544	0.7
276.06641	0.5
285.01089	0.5
291.11130	0.8
294.07605	26.8
295.10049	2.3
307.09579	4.3
308.09177	1.6
336.08646	92.1
337.08954	6.3
353.11279	19.9
354.13663	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03558	0.2
65.03935	2.9
69.68058	0.8
77.03931	0.5
79.05493	1.6
91.05478	64.7
92.05820	1.4
92.50072	0.2
107.00496	1.9
108.01268	9.3
126.02303	0.4
152.06190	0.5
154.07800	0.3
183.03584	11.9
184.04356	2.9
185.05147	6.2
186.05429	0.2
201.04607	0.3
202.05374	0.6
222.52913	0.2
261.08279	10.4
262.09048	17.4
263.09311	1.0
293.07260	0.7
294.08047	4.9
295.08374	0.2
353.14508	100.0
353.23129	3.2
354.14859	9.1
354.22983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02991	0.5
55.05503	2.6
60.05647	27.4
68.99783	1.8
69.76339	1.3
70.06588	0.6
72.08152	57.7
72.53447	0.4
73.06555	0.9
73.08498	0.9
78.11067	0.4
83.65863	0.3
85.02921	0.5
89.10743	0.5
95.04946	0.5
97.06609	0.4
97.07648	7.2
98.06051	4.8
114.10285	39.3
115.08707	1.5
115.10622	0.4
123.04449	0.9
130.12691	0.4
131.12921	100.0
132.13318	0.6
139.08682	0.8
140.04678	8.6
140.07176	0.6
140.08197	1.2
141.02023	0.4
153.05429	0.9
155.07019	6.4
157.10844	2.9
157.11951	0.4
171.06557	0.5
174.05438	0.4
181.04942	18.9
182.05299	0.7
188.01826	0.4
208.57132	0.4
222.07574	0.9
223.06023	5.4
293.15067	0.9
294.13281	0.8
336.15637	0.9
353.18188	31.9
354.18411	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	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20507	0.5
68.99402	0.4
70.98959	0.8
71.49929	0.4
79.56987	0.4
89.00603	1.3
117.00050	1.4
121.02824	0.7
142.16934	0.5
144.99545	0.9
163.62419	0.5
172.86983	0.4
195.09967	0.5
260.98822	1.6
293.01544	2.5
312.61496	0.5
353.22946	100.0
354.23273	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05515	17.6
57.03444	4.6
57.07072	5.6
60.05643	2.4
65.03937	5.2
67.05499	100.0
68.05836	2.1
69.07069	15.5
69.96196	3.3
69.96550	3.9
71.04998	2.6
73.09869	2.0
79.05485	43.5
79.05944	3.0
81.07052	99.7
82.07381	2.9
83.08612	6.7
85.06518	4.0
90.65327	2.0
91.05481	22.8
93.07043	55.3
93.33569	1.8
95.04939	4.2
95.08599	77.9
95.97988	2.0
97.06542	4.7
97.10183	3.6
98.22762	2.7
99.08089	2.3
105.04511	1.9
105.07030	19.4
107.08590	33.9
109.10139	37.7
113.31055	1.9
117.07004	6.9
119.08573	13.4
121.10135	28.4
123.11685	22.9
131.04941	6.1
131.08534	18.5
133.10109	11.6
135.04616	1.8
135.11674	22.0
137.13252	8.8
145.10127	15.4
146.00035	1.8
147.04373	4.6
147.11664	11.6
149.13252	17.5
151.14763	3.0
159.11676	13.5
161.13226	9.2
162.01779	2.7
163.03813	4.4
163.11165	2.2
163.14769	11.5
166.01367	5.5
168.02936	2.0
173.13287	17.8
175.14830	3.7
177.16412	3.8
187.14862	7.6
190.01440	3.8
190.05020	4.2
191.03415	19.0
201.16362	5.1
208.02431	11.9
219.07919	2.1
222.04242	2.0
222.07629	2.2
233.22632	4.2
238.18034	2.8
243.21078	19.1
250.07071	17.0
261.22110	84.4
262.22467	4.3
268.08139	2.4
279.23221	5.0
293.15433	2.2
294.07706	4.3
294.11115	2.7
295.09650	6.2
313.85526	2.4
335.25955	9.3
336.08655	9.9
353.11145	2.7
353.17419	2.8
353.26828	19.4
354.13605	7.2
354.26492	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53617	1.2
53.03937	1.5
54.82879	1.3
55.01878	1.2
55.05506	21.2
57.03429	3.9
57.07073	7.1
60.07469	1.3
65.03927	2.9
67.05499	86.8
68.05855	1.4
69.07066	22.2
69.88610	3.7
71.04965	2.9
71.08630	4.4
77.03967	1.4
79.05485	58.8
81.07048	100.0
82.07383	2.6
82.60499	1.4
83.04984	4.8
83.08611	10.0
85.06538	3.6
91.05470	36.9
93.07037	81.9
94.07372	1.7
95.04960	25.0
95.08599	86.8
96.08923	1.7
97.06521	6.0
97.10131	3.4
99.08083	4.1
105.04517	2.1
105.07018	41.6
106.42229	1.2
107.08589	58.3
109.06509	6.3
109.10142	39.0
110.10511	2.0
111.08082	3.2
113.09644	2.5
117.07001	15.0
119.08569	33.3
121.06460	1.8
121.10131	38.5
122.10441	2.0
123.08111	2.6
123.11692	17.2
125.09589	1.4
128.06122	1.9
129.07007	4.3
131.08559	30.1
132.08856	1.6
133.10124	27.9
135.08076	3.1
135.11681	32.1
137.13274	7.8
142.07756	1.4
143.08545	7.7
144.09332	1.9
145.10118	33.6
147.11684	18.0
149.09521	2.8
149.13240	22.6
150.13562	2.1
151.11151	2.3
151.14825	2.7
153.12810	1.4
155.08498	1.5
157.10114	6.3
159.11687	24.7
160.12076	1.4
161.13266	18.2
162.13577	1.6
163.11211	3.9
163.14810	19.0
165.12712	2.0
169.10106	4.2
171.11699	5.9
173.13249	24.8
174.13673	2.0
175.14754	10.7
177.12790	3.0
177.16342	7.0
183.11700	2.8
185.13255	6.9
187.14833	16.5
189.16357	3.4
191.14348	2.1
195.11667	1.6
197.13248	2.7
199.14845	5.4
201.16364	13.0
203.17943	2.7
205.15860	2.6
211.14777	2.2
213.16414	5.2
215.17949	3.0
225.16367	1.8
227.17848	2.7
229.19424	3.1
231.17494	1.4
231.32114	1.2
233.22678	3.8
237.16476	1.5
239.17752	1.6
241.19562	2.6
243.21074	27.2
253.19243	1.9
255.21057	4.6
256.21814	1.7
261.22122	57.2
262.22336	6.1
267.21143	2.2
269.22723	3.0
279.20801	1.7
279.23404	2.5
293.22757	1.7
309.25427	3.0
335.26978	9.3
335.97833	1.4
336.27637	1.4
353.28403	42.7
354.28799	3.0
354.33603	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.70303	1.0
53.03933	3.1
55.01875	1.5
55.05510	13.5
55.81597	1.2
57.03437	6.2
57.07059	4.7
65.03928	5.0
67.05500	95.8
68.05822	1.2
69.07067	11.1
70.14397	2.8
70.14764	2.3
71.04974	1.8
71.08615	1.8
75.04463	1.6
77.03941	1.7
79.05484	39.3
81.07050	100.0
82.07385	1.7
83.08597	5.9
85.06548	3.7
89.68789	1.3
91.05470	18.1
93.07037	55.6
94.07349	1.7
95.04951	3.6
95.08597	72.3
96.08912	1.4
97.06521	3.9
97.10128	2.9
97.14641	1.3
98.22751	2.0
99.08120	1.6
105.04527	2.2
105.07024	18.3
107.08578	37.3
109.06503	2.1
109.10150	36.7
111.08065	1.7
111.11710	1.4
112.69967	1.3
113.09685	1.4
117.07013	9.5
119.08570	12.1
121.10127	27.0
123.11692	20.1
125.09599	1.7
131.08551	19.5
133.10124	11.5
135.11682	24.6
137.13229	7.2
145.10123	14.0
147.11667	12.4
149.09514	1.5
149.13240	21.2
149.14404	1.4
151.14819	2.4
159.10521	1.5
159.11714	15.0
160.12030	1.2
161.13245	9.5
163.14793	10.5
165.12717	1.6
173.13243	16.3
175.14818	3.0
177.16350	3.0
179.14240	1.4
187.14790	8.7
191.14305	1.8
201.16316	3.9
205.15846	1.5
215.17726	1.5
219.17418	1.3
233.22655	3.6
243.21037	24.1
261.22110	88.9
262.22412	6.0
264.17886	1.3
279.23114	5.3
317.24661	1.9
335.25784	12.2
336.99747	1.4
352.94708	1.2
353.26788	25.6
354.27124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
54.32961	0.9
55.01867	1.6
55.05505	16.7
57.03421	3.5
57.07074	5.6
59.04943	0.8
60.05637	3.2
61.10725	0.9
65.03927	4.1
67.05499	99.6
68.05824	2.1
69.07062	12.6
71.04976	3.3
71.08629	6.2
71.42199	1.3
75.04462	1.4
76.87735	0.8
77.03910	1.9
79.05485	50.6
81.07049	100.0
82.07375	1.7
83.04966	1.2
83.08620	7.3
85.06534	3.1
91.05467	24.5
93.07038	69.5
94.07392	1.3
95.04956	5.4
95.08598	71.0
96.08905	1.5
97.06510	4.5
97.10150	3.3
99.08108	6.1
103.05508	1.0
105.04497	2.5
105.07018	20.4
107.04907	1.3
107.08584	45.0
109.06502	2.8
109.10148	39.8
109.10893	2.2
111.08084	1.7
113.09634	1.7
117.07024	8.5
119.08565	16.9
121.02874	1.3
121.10132	34.4
123.08062	2.3
123.11699	21.8
125.09595	1.0
131.04932	3.2
131.08543	22.5
131.09456	1.6
133.10114	13.7
134.25064	1.0
135.04460	0.9
135.11679	30.6
137.09608	1.6
137.13242	6.9
139.11172	1.3
145.10103	17.3
147.04414	2.8
147.11678	12.9
149.13235	20.4
151.11151	2.0
151.14786	2.7
153.12709	1.6
155.34552	0.9
159.11662	14.4
160.12059	1.0
161.13243	8.7
162.13605	1.0
163.03917	6.9
163.11234	1.1
163.14799	13.1
165.12779	4.3
171.11584	0.9
173.13235	18.1
175.14775	4.3
177.12788	2.5
177.16316	5.7
179.14320	1.7
180.02815	2.2
187.14793	7.8
189.16330	1.2
190.01308	2.0
190.05011	2.7
191.03371	18.8
191.14299	1.7
193.15872	1.1
201.16406	3.4
205.15874	1.8
208.02472	6.3
209.04362	1.1
212.66682	1.0
215.17917	1.3
219.17474	1.0
222.03943	1.2
233.22600	3.6
243.21078	19.7
244.21501	1.7
245.22583	1.0
250.08115	1.5
261.22110	97.8
262.22473	5.4
279.23074	3.1
291.23148	8.9
294.07816	1.2
294.11166	2.3
295.09607	10.4
309.24438	1.6
326.10052	1.0
335.25766	5.7
336.08798	5.2
336.12491	1.0
336.29007	1.9
337.45395	1.0
353.22491	2.1
353.26807	41.2
354.14392	3.4
354.27097	2.4
354.33551	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	3.1
55.01860	8.3
55.05505	55.1
57.03432	16.1
57.07064	9.6
59.04982	3.7
60.05635	6.7
60.20738	2.9
63.36201	2.8
65.03938	4.5
66.48406	2.5
67.05497	96.1
69.03437	3.8
69.07060	52.8
70.56934	4.9
71.04995	7.7
71.08620	31.4
79.05480	50.9
81.07047	100.0
83.04980	9.4
83.08602	27.2
85.06506	3.9
88.07635	3.5
91.05479	20.1
93.07034	51.3
95.04984	6.8
95.08595	68.0
97.06512	10.1
97.10156	28.2
99.08073	22.4
100.07609	4.2
103.05415	2.7
105.07013	16.3
107.04982	3.0
107.08578	38.5
108.09000	2.5
109.06493	4.6
109.10145	42.5
111.08059	4.8
111.55835	2.5
114.38645	2.4
117.07041	5.8
119.08588	11.9
120.25838	2.7
121.10148	24.2
123.08088	3.5
123.11675	11.4
125.09628	16.4
127.07601	2.4
131.04893	4.4
131.08549	8.8
133.10165	6.9
133.43770	2.3
135.08047	6.8
135.11671	26.6
137.13240	10.8
145.10135	8.1
147.04399	5.2
147.11676	13.8
149.13243	9.8
151.14793	3.8
153.12709	9.6
159.11705	4.8
161.13251	5.5
163.03888	12.4
163.11099	3.3
163.14771	5.8
165.12782	6.7
173.11798	5.5
173.13275	8.3
175.14870	3.5
177.16316	4.5
181.15919	4.2
189.11215	10.2
190.04970	4.1
191.03354	36.3
201.16322	2.8
208.02409	15.2
209.04353	2.7
233.22604	4.4
243.21016	17.8
250.08345	3.3
261.22110	34.4
279.23169	29.6
279.28995	2.5
294.07782	3.5
294.11105	3.6
295.09558	14.5
336.08710	16.7
336.12238	3.5
336.32599	6.1
353.26688	62.6
354.14288	10.1
354.27203	6.4
354.33685	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
53.85284	2.0
53.95602	2.0
55.05508	22.7
57.03431	2.9
57.07072	4.1
59.05001	2.4
65.03943	3.1
67.05498	77.7
69.07066	18.2
69.70544	4.8
69.70945	4.0
76.68779	2.2
77.03957	2.1
79.05484	41.5
81.07052	100.0
82.07377	3.5
83.04979	3.9
83.08603	8.9
85.06500	3.1
91.05476	28.8
93.07041	63.2
95.04988	11.4
95.08597	73.1
97.06527	7.2
97.10162	4.8
103.25866	2.2
105.07027	36.9
107.08585	50.9
107.17171	1.8
109.06500	3.5
109.10149	33.8
111.08057	2.2
111.11636	2.1
117.07006	13.5
119.08564	36.9
120.08800	2.1
121.10133	40.3
123.08051	5.6
123.11714	18.7
129.07027	3.4
131.08554	28.1
133.10124	27.4
135.11668	30.2
137.09625	3.1
137.13272	6.7
142.07678	2.3
143.08580	10.7
145.10115	27.7
146.10562	2.0
147.11691	22.0
149.13225	23.0
151.11128	2.5
155.08560	4.8
157.10106	11.9
159.11685	27.0
161.13246	19.3
161.73553	2.2
163.14828	10.0
169.10133	5.9
171.11713	6.5
173.13266	24.2
175.14828	7.3
177.16373	4.4
181.10091	2.6
183.11638	4.8
185.13255	6.6
187.14775	12.4
189.16412	7.0
191.14383	2.6
195.11613	2.9
197.13272	3.8
199.14748	10.5
201.16386	12.7
203.17972	2.8
209.13220	2.6
211.14818	3.8
213.16396	6.8
214.19537	1.9
215.17870	6.1
221.75287	1.9
225.16327	3.4
227.17953	5.4
239.18111	4.9
243.20966	15.8
251.17805	3.8
253.19547	4.2
255.21036	4.0
261.22119	63.5
262.22519	2.7
267.20993	2.9
267.29996	2.2
269.22577	3.4
271.20465	3.0
272.16064	1.9
279.21066	3.5
290.20813	2.1
297.22281	2.7
332.47971	2.3
335.27533	12.7
353.28418	59.6
354.28589	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.05513	17.8
57.03425	5.1
57.07071	7.0
58.45554	1.8
59.54832	1.9
62.37272	2.1
65.03929	4.4
67.05501	100.0
68.05838	3.0
69.07058	15.4
69.52733	5.4
69.53126	4.7
70.06599	3.1
71.08625	7.4
75.04464	1.9
76.90315	1.9
77.95196	1.9
79.05491	61.5
79.05951	3.2
79.23475	1.8
81.07053	95.7
82.07420	2.9
83.04984	5.3
83.08613	11.1
85.06544	3.7
85.10192	2.0
88.07626	6.3
91.05472	34.3
93.06442	4.0
93.07041	85.0
94.07403	2.6
95.04967	12.6
95.08605	91.5
95.09221	4.5
96.08942	2.8
97.06520	8.1
97.10145	4.3
99.08085	7.0
105.04539	3.2
105.07034	32.3
107.08586	50.7
109.06522	4.5
109.10152	32.7
111.11684	2.9
113.09598	2.7
117.06995	14.0
119.08581	26.2
121.10136	40.9
123.08094	3.2
123.11709	15.0
131.08563	31.7
132.08894	2.3
133.10103	15.1
135.08058	2.8
135.11699	28.3
137.13271	9.2
143.08530	4.1
145.10106	23.4
147.11685	18.8
149.09538	2.5
149.13237	28.9
151.14835	5.4
157.10138	3.8
159.11691	17.9
161.13242	15.9
163.11124	3.2
163.14809	19.1
171.11633	4.1
173.13249	21.9
175.14809	7.3
177.12744	2.8
177.16385	6.2
185.13310	2.9
185.51843	2.0
187.14844	15.0
189.16391	3.1
197.13167	2.5
201.16368	8.1
203.14359	2.0
205.44600	2.0
207.35384	2.1
233.22665	8.5
243.21085	32.4
244.21356	3.7
261.22128	84.0
262.22437	5.8
267.15656	2.1
310.31110	2.3
335.26218	3.8
348.28885	2.1
353.28580	20.8
354.33676	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	17.0
57.03418	2.6
57.07079	3.5
65.03925	4.2
67.05502	75.8
69.07076	14.9
77.03913	3.5
79.05492	42.8
80.05830	2.6
81.07054	100.0
83.04983	3.2
83.08621	7.6
83.59399	1.6
91.05472	28.4
91.78860	1.6
93.07045	74.0
95.04962	6.2
95.08019	3.7
95.08606	61.1
97.06532	4.6
97.10139	3.7
99.08105	2.4
102.21227	1.6
105.04565	2.2
105.07029	34.0
107.08591	44.2
109.10152	35.3
109.14246	1.7
111.05653	1.6
111.08057	2.9
117.07018	9.2
119.08571	33.7
121.06506	2.0
121.10139	37.2
123.11709	20.1
129.07004	3.4
131.08563	25.8
133.10133	24.6
135.11679	28.1
137.13243	7.7
141.06969	1.7
143.08553	5.4
145.10127	27.8
147.11647	17.5
149.09541	2.5
149.13251	21.2
157.10088	9.8
159.11697	25.6
161.13266	14.4
163.14801	8.5
165.12839	2.7
169.10176	2.5
171.11674	6.7
173.13240	20.5
174.13731	1.9
175.14873	5.9
177.16356	3.4
183.11626	3.4
185.13275	6.5
187.14839	14.4
189.16422	4.4
197.13258	3.8
199.14830	7.0
201.16325	9.8
203.17900	2.6
211.14868	4.2
213.16422	6.0
215.17789	3.6
217.19450	2.2
225.16342	3.4
227.17915	3.7
233.22534	3.7
239.17935	4.3
241.19572	3.0
243.21071	12.7
253.19427	2.9
255.21078	5.3
261.22144	58.4
262.22549	3.0
267.20987	3.0
269.22693	2.5
295.24268	4.8
335.27371	11.7
336.27814	1.9
352.28946	1.7
353.28381	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	353.2837
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
53.03938	1.6
55.01864	1.8
55.05512	16.3
56.31163	1.3
56.85198	1.6
57.07078	2.6
65.03943	2.7
67.05504	31.0
69.07071	15.2
71.08614	1.5
79.05489	23.3
81.07053	63.2
83.04980	5.9
83.08617	6.9
84.20297	1.6
88.07626	3.0
91.05473	23.7
93.07046	40.4
95.04966	31.3
95.05529	2.5
95.08604	52.8
96.08938	1.8
97.06523	4.4
97.10164	4.9
98.23518	3.0
99.08089	1.5
105.07021	46.7
106.07392	1.8
106.08700	1.9
107.08587	37.7
108.08913	1.9
109.06527	11.3
109.10152	31.0
111.08049	2.8
117.07006	10.1
119.08568	41.0
121.06496	3.5
121.10143	27.2
123.08096	4.0
123.11709	10.4
125.09633	2.3
129.06992	4.3
130.07774	1.7
131.08566	20.0
133.10121	30.4
135.05185	1.5
135.08070	5.2
135.11673	17.9
135.12527	1.8
137.09573	2.3
137.13319	3.1
139.11156	2.1
141.06967	1.9
142.07777	3.7
142.50096	1.7
143.08553	10.5
145.10114	30.9
147.11682	22.7
149.09680	2.1
149.13260	12.2
154.07761	2.1
155.08533	4.2
156.09344	2.0
157.10127	18.4
158.10857	1.9
159.11705	30.4
160.11964	1.9
161.09613	3.2
161.13260	18.1
163.11330	1.7
163.14862	6.8
165.12820	1.9
169.10162	6.2
171.11662	12.9
172.12381	1.8
173.13251	18.8
174.13593	2.6
175.11211	1.9
175.14801	8.8
177.12880	2.0
177.16454	4.2
181.10201	2.2
182.10851	1.7
183.11691	5.9
185.13228	10.1
187.14815	12.5
189.12756	3.0
189.16382	7.4
195.11697	3.3
197.13220	10.9
199.14772	12.3
201.16367	14.4
203.14508	1.9
203.17964	5.6
209.13264	3.4
211.14830	7.9
213.16370	9.0
215.14415	1.4
215.17911	7.6
222.64302	1.4
223.14853	2.1
225.16234	7.6
227.18010	9.4
228.91397	1.8
229.19542	3.1
231.17592	1.8
237.16409	2.7
239.17990	3.3
241.19518	6.6
243.17564	2.4
243.21115	5.6
245.19183	1.9
251.17992	2.2
253.19582	4.2
255.21074	6.3
259.20572	1.7
261.22144	8.0
261.32642	1.8
265.19565	3.7
279.21127	3.1
281.22537	3.0
283.20425	2.4
293.22699	1.7
295.24429	2.3
297.22192	1.7
309.25864	3.2
325.28897	2.9
335.27310	24.8
353.28394	100.0
354.28757	9.8
354.33591	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	353.284
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
51.81205	1.3
52.30988	1.4
53.72334	1.2
55.05508	5.6
67.05506	10.9
69.07068	7.8
70.59931	1.7
70.60272	2.1
72.86215	1.4
79.05493	8.3
81.07059	28.2
83.04979	3.6
83.08610	2.9
91.05457	7.8
93.07047	20.7
95.04967	14.4
95.08609	26.1
97.06525	3.2
97.10196	1.5
105.07035	20.1
107.08595	19.3
109.06508	4.5
109.10148	15.3
117.07043	3.1
119.08592	18.0
121.10147	14.3
123.11688	5.1
129.07033	2.1
131.08559	10.0
133.10121	17.1
135.08119	1.8
135.11707	13.1
137.09561	2.0
139.11243	1.4
143.08530	6.1
145.10106	17.6
147.11684	16.3
149.13281	8.1
155.08525	2.1
157.10110	9.4
159.11681	16.4
161.13263	11.4
163.14828	4.7
169.10155	3.4
171.11749	7.6
173.13271	12.3
175.14850	8.5
177.12856	1.4
183.11732	3.6
185.13266	6.3
187.14786	9.4
189.16405	5.2
191.14343	2.5
197.13283	2.3
199.14793	7.2
201.16376	13.3
202.16795	1.5
203.17999	2.0
209.13298	1.9
211.14813	3.3
213.16380	5.6
215.17953	6.2
223.14775	1.6
225.16434	4.4
227.17941	6.9
229.19621	2.4
231.17380	1.5
239.17937	4.6
241.19554	4.4
245.19136	2.1
251.17981	1.9
253.19562	2.9
255.21072	5.2
256.21674	2.8
257.19040	1.8
257.22476	2.0
265.19287	2.1
267.21133	4.4
269.22751	3.1
279.20911	3.4
283.20544	1.8
293.22592	2.0
295.24304	7.3
297.22232	3.6
300.15509	1.7
309.25931	3.7
335.27328	20.7
353.28397	100.0
354.28754	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	353.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31325	3.0
55.05505	10.6
57.22449	2.8
67.05481	13.5
69.07063	14.2
79.05489	15.9
81.07047	38.4
83.04979	7.4
83.08613	8.3
91.05455	13.9
93.07044	32.5
94.90361	2.3
95.04954	32.9
95.08591	41.5
97.06541	4.0
97.10175	3.9
105.07015	28.5
107.08591	36.3
109.06518	7.6
109.10149	27.3
111.08072	5.9
117.07017	5.6
118.11079	2.8
119.08591	26.4
121.10130	18.0
123.11752	6.3
131.08539	21.6
133.10133	33.3
135.08044	5.1
135.11656	17.7
137.13158	3.2
143.08566	9.4
145.10088	25.7
147.11665	25.5
149.13280	9.8
155.08629	5.5
157.10114	10.9
157.72652	2.7
159.11703	27.1
161.13243	19.3
163.14841	7.4
169.09995	3.2
171.11658	10.1
173.13277	21.4
175.14711	13.2
181.10246	2.9
183.11749	7.3
185.13277	10.0
187.14832	14.2
189.16414	6.6
191.14352	4.0
197.13263	6.6
198.42955	3.2
199.14803	8.2
201.12981	2.5
201.16394	28.3
203.17953	4.8
209.13164	5.0
211.14818	6.7
213.16422	10.7
215.17967	4.1
225.16249	3.4
227.17943	6.3
229.19301	4.0
237.16449	3.6
239.18039	4.8
241.19475	8.6
243.21075	4.6
253.19550	8.4
255.21126	9.1
256.21738	4.1
257.22656	6.1
265.34750	3.1
267.20956	3.3
269.22531	3.7
271.24210	2.9
279.21246	4.7
293.22528	4.0
309.25931	6.3
325.29245	3.4
335.27289	23.1
337.95569	2.8
353.28375	100.0
354.28625	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	353.2836
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
55.05507	15.1
57.07055	2.8
65.03938	1.9
67.05500	22.8
67.50191	1.7
69.07062	17.4
69.88860	5.9
79.05481	19.5
81.07047	53.2
83.04966	6.4
83.08603	6.4
85.06551	2.4
87.86369	1.6
91.05465	23.0
93.07040	39.3
95.04958	28.7
95.08598	44.8
97.06519	3.7
97.10147	3.2
98.23388	3.4
105.06341	3.4
105.07017	41.9
107.08578	41.6
107.09333	1.6
109.06525	5.8
109.10144	26.6
111.08048	3.1
117.06961	7.9
119.08569	41.5
121.10130	24.8
123.08089	2.0
123.11679	10.1
129.06995	6.0
131.08560	22.5
133.10120	33.3
133.69516	1.7
135.08023	3.2
135.11685	14.0
137.09601	2.0
137.13266	1.9
142.07759	2.7
143.08551	13.7
144.09277	2.8
145.10107	33.9
147.11668	28.5
149.13239	13.0
155.08543	3.8
156.09315	4.3
157.10104	15.3
159.11684	27.6
161.09669	1.8
161.13248	21.0
163.11150	2.2
163.14796	5.2
169.10130	5.9
171.11656	11.1
173.13242	18.8
175.11249	2.1
175.14786	13.2
177.12794	1.9
181.10037	2.7
183.11699	7.3
185.13240	11.1
187.14767	12.7
189.16376	5.9
195.11598	2.7
197.13303	8.3
199.14809	13.7
201.16325	19.8
202.16656	2.2
203.14322	2.5
203.17880	4.0
209.13266	3.2
211.14822	8.7
213.16290	11.3
215.14172	2.2
215.17899	4.3
219.17697	1.6
223.14748	5.1
225.16295	5.3
227.17914	9.6
229.19475	3.9
237.16318	2.2
239.17909	5.4
241.19566	6.0
243.21109	2.8
251.17899	3.9
253.19447	6.2
255.21071	7.3
256.21844	2.0
257.18964	2.2
257.22519	3.4
265.19409	4.3
267.21014	4.9
269.22607	6.7
279.20956	6.0
293.22598	1.9
297.22110	3.4
309.25885	1.8
325.28738	3.3
335.27216	23.3
353.28345	100.0
354.28809	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	353.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71472	2.2
55.05502	15.8
67.05502	31.3
69.07054	15.8
69.16323	7.2
69.16752	8.8
69.95628	2.5
79.05486	26.6
81.06561	4.4
81.07047	66.7
81.59244	2.4
83.04991	6.8
83.08595	5.0
87.20233	2.1
91.05475	26.3
93.07040	44.4
95.04966	39.7
95.08599	57.7
97.06541	5.6
97.10152	3.0
105.06345	4.2
105.07026	60.5
106.07360	2.6
107.08587	48.1
109.06496	10.3
109.10149	31.4
111.08050	2.5
117.07008	8.6
119.08576	48.0
121.06534	2.8
121.10139	27.0
123.11697	10.9
129.06969	4.1
131.08560	24.0
133.10114	37.5
135.11670	15.1
137.09705	3.2
137.13263	3.8
143.08537	12.0
144.09303	2.8
145.10135	36.0
146.10509	2.6
147.11688	29.1
149.13254	11.7
155.08502	4.7
156.09396	2.4
157.10110	15.6
157.11208	2.6
159.11673	33.3
161.13280	20.2
163.14825	9.1
167.63985	2.5
167.71973	2.5
169.10132	8.9
171.11687	15.2
173.13275	24.4
175.11185	2.8
175.14796	10.7
183.11606	5.4
185.13219	13.9
187.14816	19.0
188.15422	2.8
189.12671	2.4
189.16371	7.2
191.14282	4.1
197.13287	7.5
199.14799	11.7
201.16339	24.3
203.17938	5.5
209.13440	2.8
211.14758	7.1
213.16367	13.5
214.17104	2.4
215.17897	6.4
223.14635	2.7
225.16374	4.0
227.17871	7.2
237.16217	3.1
239.17996	4.9
241.19470	4.9
243.21170	3.5
253.19423	3.6
255.21071	7.5
259.20462	2.3
261.21997	3.1
265.19394	2.7
267.20956	4.7
269.22748	5.3
285.22202	3.0
297.22232	3.0
325.28888	3.5
335.27200	22.9
353.28345	100.0
354.28766	8.2
354.33423	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	353.2836
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
55.01888	1.3
55.02922	1.4
55.05509	13.9
56.47805	1.7
56.82843	1.5
57.07080	2.1
65.03914	2.5
67.05210	1.7
67.05506	20.7
67.53217	1.6
69.03423	2.2
69.07064	18.6
69.23032	6.3
69.23450	4.4
77.03918	1.8
79.05489	18.3
81.07056	51.3
83.04981	5.6
83.08605	5.4
91.05479	20.2
93.07039	36.3
95.04968	42.5
95.08603	43.0
97.06526	5.3
97.10172	4.5
105.07025	40.6
105.07729	1.9
107.07933	2.8
107.08598	38.2
109.06499	9.0
109.10146	29.5
110.10490	1.5
111.08023	1.9
115.05470	2.1
117.06992	6.9
119.08575	39.3
121.06577	1.6
121.10136	30.2
122.60635	1.4
123.08063	2.7
123.11671	9.9
125.09629	2.5
128.06200	2.3
129.07010	3.8
131.08562	24.8
133.10124	35.2
134.10446	1.6
135.08043	3.4
135.11665	15.2
137.13245	2.5
142.07820	2.6
143.08546	13.0
144.09338	3.6
145.10130	28.9
147.11665	27.3
149.09569	2.2
149.13243	14.7
155.08551	3.6
157.10123	12.7
159.11681	24.8
161.09647	2.5
161.13231	20.4
163.14816	7.0
169.10133	4.7
171.11685	12.7
172.12378	1.8
173.13251	18.1
175.11237	2.6
175.14810	12.5
177.16362	2.7
181.10059	2.1
183.11691	5.8
185.13200	13.0
187.14813	15.9
189.12665	2.3
189.16335	7.2
191.14314	3.6
192.04071	1.8
195.11624	1.9
197.13225	6.6
199.14804	11.9
201.16429	15.7
203.14185	1.9
203.18011	3.9
205.15945	1.9
209.13342	2.7
210.60562	1.5
211.14780	6.4
213.16370	9.6
215.17918	5.6
217.15775	1.8
223.14886	1.9
225.16386	4.8
227.17934	4.7
229.19521	2.6
237.16273	2.8
239.17923	3.9
241.19496	6.4
243.17506	2.5
243.20961	3.4
253.19594	5.0
255.21043	10.4
256.21817	3.4
257.22641	3.8
265.19608	3.3
267.21088	4.3
269.22641	5.4
271.20569	2.3
279.21082	5.8
285.22031	2.0
295.24142	2.3
309.25714	7.0
335.27347	22.0
336.27585	3.7
353.28342	100.0
354.28754	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	353.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.2
55.32896	2.1
60.01236	2.5
60.05645	15.1
65.03944	3.0
67.05508	21.8
68.52129	2.5
68.99802	3.2
69.07066	11.5
69.46278	10.9
71.04971	3.2
72.08121	2.4
79.05492	25.9
81.07056	100.0
83.08630	3.1
88.57084	2.5
91.05473	29.5
93.07041	59.9
95.04966	34.5
95.08609	37.1
96.04488	53.2
97.04842	15.8
97.06525	8.6
97.10126	3.0
103.05473	6.4
105.04482	3.5
105.07025	56.7
107.04954	5.0
107.08594	33.7
109.06511	6.3
109.10164	20.4
117.06983	7.0
119.08588	43.5
121.02866	4.8
121.06498	2.3
121.10123	26.0
123.04425	9.5
123.08098	4.8
123.11714	10.3
124.04764	4.4
129.06960	3.4
131.04927	10.1
131.08553	16.9
133.10120	35.4
135.04408	3.8
135.11710	11.9
137.13156	2.3
142.07819	4.6
143.08569	11.1
145.10126	33.9
147.04430	14.4
147.11688	28.1
149.13251	9.0
150.07785	7.1
157.10095	14.1
159.11679	43.9
160.12309	4.6
161.03452	4.8
161.13277	28.0
163.03882	34.5
163.14758	4.5
171.11674	10.9
173.13257	13.0
175.14803	6.6
185.13258	8.5
187.14841	19.7
189.16394	20.4
190.01302	11.0
190.04974	7.4
191.03380	97.7
197.13252	3.6
199.14822	3.6
201.16403	11.2
203.18082	3.4
204.02942	3.3
208.02383	31.4
209.04425	3.7
213.16402	8.4
215.17973	6.5
225.16356	3.1
227.17921	4.8
232.02359	2.9
232.07289	2.9
250.08260	6.6
258.12054	4.4
259.20447	2.5
279.21027	2.8
294.07690	6.5
294.11206	11.1
295.09668	42.0
318.12549	2.7
335.27234	5.8
336.08673	33.3
353.11288	5.7
353.28445	54.9
354.14331	23.4
354.33817	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	353.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38078	1.0
51.71968	1.1
53.03934	2.4
54.86515	1.2
55.01855	2.0
55.05504	19.4
56.55774	1.1
57.07071	2.1
59.04983	1.6
65.03928	1.8
67.05494	33.7
69.03420	1.7
69.07060	19.9
70.68075	1.7
71.04977	2.2
77.03920	1.6
79.05483	32.1
81.07044	74.7
82.07387	1.6
83.04967	5.2
83.08614	6.1
85.06522	1.4
91.05467	26.8
93.07034	58.4
94.07300	1.3
95.04958	42.4
95.08593	59.0
97.06514	7.3
97.10167	3.3
97.65314	1.3
103.07561	2.3
105.04494	1.4
105.07014	56.8
107.05006	1.5
107.08579	59.1
109.06507	10.6
109.09417	2.6
109.10145	39.3
111.08070	2.7
117.07002	12.0
119.08565	45.6
121.06498	2.2
121.10130	36.6
123.08040	5.3
123.11675	15.1
125.09631	2.3
128.06209	1.9
129.06949	6.0
130.07799	1.7
131.08553	28.1
132.08928	1.3
133.10107	41.7
135.08022	5.1
135.11690	20.5
137.09639	2.3
137.13258	3.0
139.11153	2.7
141.06955	1.3
142.07755	5.0
143.08546	12.1
144.09319	4.0
145.10098	33.3
146.10495	1.5
147.11662	30.2
149.09587	3.1
149.13237	15.7
151.11172	1.9
155.08525	6.1
156.09286	4.3
157.10100	18.8
158.10858	1.9
159.11678	34.7
161.09605	2.3
161.13228	22.0
163.11189	2.9
163.14812	6.5
169.10030	6.4
170.10866	1.5
171.11650	13.4
173.09747	1.5
173.13242	23.7
175.11174	2.9
175.14799	10.4
177.12769	1.8
177.16344	2.3
181.10100	3.5
182.10835	2.4
183.11667	8.9
184.12437	1.2
185.13223	13.1
187.14780	16.8
189.12781	2.5
189.16356	11.0
191.07011	1.4
191.14307	1.9
195.11728	4.3
197.13275	9.0
199.14792	15.8
201.12788	2.0
201.16364	22.6
203.14328	2.6
203.17943	3.8
209.13203	5.7
211.14809	6.8
213.16293	10.4
215.17915	8.1
217.15816	3.0
223.14815	3.4
225.16318	6.6
227.17915	8.4
229.15895	1.8
229.19502	3.6
231.17603	2.5
231.21057	1.7
237.16345	3.0
239.17967	6.8
240.18687	1.5
241.19539	5.9
243.17386	2.6
243.21025	4.6
245.19101	2.0
245.22531	1.4
251.17924	2.8
253.19495	5.2
255.20927	9.5
256.21518	1.2
257.22598	3.0
261.22064	6.1
265.19513	3.9
267.21027	5.8
269.22635	6.2
271.20566	3.4
279.21106	5.0
281.22427	1.7
283.20624	1.6
285.22034	1.6
293.22577	2.4
295.24124	4.7
297.22046	3.2
307.24112	1.1
309.25732	1.8
325.28848	2.4
335.27301	21.5
336.27509	1.9
353.28342	100.0
354.28583	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	353.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.05505	17.5
57.07067	3.7
65.03935	2.6
67.05502	28.2
69.03416	1.6
69.07066	20.9
71.04985	2.9
77.03886	2.6
79.05491	23.5
81.07052	57.6
83.04967	6.0
83.08615	7.6
87.04803	1.3
91.05480	26.3
93.07043	45.2
95.04967	31.8
95.08602	54.8
95.09211	2.7
97.06524	5.8
97.10149	2.3
99.08057	1.5
105.04497	1.5
105.07028	47.1
107.08587	46.0
109.06516	9.9
109.10151	28.6
111.08058	1.5
112.10926	1.2
117.07020	8.5
119.08580	44.6
121.06484	2.1
121.10142	27.0
123.08084	3.0
123.11722	9.1
125.09618	1.5
128.06151	1.6
129.07021	6.3
130.07777	2.0
131.08565	25.2
133.10124	30.8
135.08020	3.9
135.11699	13.9
137.09660	1.8
137.13225	1.5
142.07774	2.5
143.08551	13.4
144.09311	1.6
145.10129	34.1
145.27789	1.6
147.11676	28.6
149.09570	2.3
149.13219	10.7
151.11099	1.7
155.08583	3.7
156.09303	2.8
157.10110	18.2
159.11676	31.7
161.09662	1.5
161.13237	16.4
163.11186	3.2
163.14828	7.3
169.10071	8.2
171.11700	15.5
173.13232	20.4
175.11205	2.2
175.14841	11.1
177.12782	1.9
177.16331	2.5
181.10078	2.8
183.11700	8.6
184.12459	1.3
185.13281	11.4
186.13754	1.7
186.91243	1.5
187.14803	14.5
189.12680	1.6
189.16338	10.1
191.14342	2.2
195.11678	3.7
197.13271	7.7
198.14024	1.4
199.14777	15.6
201.12703	1.9
201.16370	19.2
203.14323	2.8
203.17941	4.9
209.13263	3.8
211.14758	7.1
213.16365	10.3
215.18002	6.0
217.15985	1.5
217.19586	1.4
223.14796	4.4
225.16457	6.1
227.17911	12.1
229.06575	1.4
229.19501	5.3
237.16425	2.7
239.17886	4.9
241.19484	5.2
243.17410	2.2
243.21123	2.3
251.17921	3.9
253.19481	5.2
255.21060	10.3
256.21887	1.6
257.19067	2.3
257.22513	2.9
259.20493	1.9
265.19492	3.3
267.21115	5.6
269.22665	5.2
271.20383	2.1
279.21088	4.1
281.22684	1.7
283.06158	1.8
283.20557	2.1
283.24091	1.4
285.22168	2.1
293.22690	2.1
295.24088	2.9
297.22061	3.1
309.25766	1.9
311.27243	1.5
317.24802	1.7
325.28940	3.7
335.27322	19.1
336.27560	2.1
353.28375	100.0
354.28726	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	353.2838
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
52.34674	0.9
53.03936	3.5
55.05503	11.0
57.03424	1.0
57.07059	3.1
64.21610	1.1
65.03928	1.8
67.05161	1.5
67.05500	23.0
69.06764	1.2
69.07068	13.4
69.23323	6.9
70.06580	4.1
71.04996	5.1
77.03953	1.5
79.05491	22.6
81.07053	100.0
82.07380	2.6
83.08614	7.1
83.09016	1.3
85.06535	1.6
91.04939	2.3
91.05469	24.4
93.07038	56.7
94.07370	1.3
95.04961	13.0
95.08602	41.2
95.09218	2.0
96.08949	1.7
97.06519	9.1
97.10146	3.3
98.22704	2.3
100.89658	1.1
105.04485	2.5
105.07022	54.4
107.08588	40.7
109.06519	4.3
109.10144	26.4
111.08086	1.6
115.05418	1.5
115.08684	8.3
117.07030	6.9
118.07777	1.2
119.06039	1.3
119.08569	50.8
121.10136	27.1
123.08040	3.7
123.11691	10.8
125.09668	1.6
128.06123	1.1
129.06975	3.8
130.07777	3.2
131.08560	19.1
133.10123	34.6
135.08067	1.7
135.11679	15.4
137.09592	2.4
137.13258	1.9
142.07697	1.9
143.08559	9.7
144.09340	3.3
145.10114	33.3
146.10661	1.3
147.11678	36.6
148.11989	2.7
149.09586	1.8
149.13222	11.5
151.11157	2.9
155.08533	1.4
156.09296	2.2
157.10107	14.4
158.10835	1.7
159.11690	47.2
160.12410	3.5
160.20450	1.2
161.09592	1.3
161.13240	30.1
161.14536	2.2
163.11282	1.1
163.14818	4.4
169.10162	2.9
170.10938	1.2
171.11688	13.1
173.13234	19.8
175.11218	1.5
175.14804	8.0
177.16325	1.6
183.11705	3.5
185.13237	10.6
187.14795	19.3
188.15305	1.8
189.16380	21.1
190.16748	1.7
195.11639	1.4
197.13222	2.2
199.14832	8.5
201.16377	12.0
202.16982	1.1
203.14490	1.5
203.17868	2.4
205.15834	2.3
211.14864	4.6
213.16356	8.9
214.16809	1.3
215.17876	7.7
223.14841	1.9
225.16432	3.5
227.17912	4.9
229.19431	2.6
239.17917	1.9
241.19470	2.6
251.17888	1.4
253.19530	2.6
255.21086	2.9
257.22638	1.8
261.22031	1.6
265.19455	1.6
269.22571	6.2
271.20193	1.4
295.24207	1.2
335.27277	7.2
353.28372	53.6
354.28699	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	353.2837
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
51.77875	1.7
53.03931	3.2
53.37962	1.7
55.05509	14.6
56.27082	1.6
57.07076	2.4
65.03932	2.4
67.05497	22.0
69.07063	19.3
71.04972	2.1
76.88171	1.8
77.03912	2.5
79.05490	21.6
81.07052	57.4
83.04977	8.1
83.08606	6.6
85.06528	2.0
89.23890	1.9
91.05471	24.0
93.07037	39.0
95.04958	53.4
95.08595	49.6
96.07494	1.6
96.08946	1.7
97.06521	6.5
97.10174	2.6
98.08199	1.9
98.22520	1.7
105.07013	44.9
107.08588	46.1
109.06507	11.3
109.10146	28.5
111.08068	2.6
113.09624	1.9
114.29831	1.7
117.06983	11.5
119.08575	44.9
121.06517	2.1
121.10126	29.3
123.08072	2.2
123.11732	8.6
129.06982	5.0
131.08554	24.8
133.10117	36.5
135.08047	4.8
135.11688	15.0
137.09567	3.1
142.07744	2.6
143.08534	12.7
145.10110	34.3
146.81377	1.9
147.11696	23.9
149.09647	2.0
149.13235	13.8
155.08549	2.7
156.09285	2.8
157.10110	10.5
159.11682	24.1
161.13251	21.8
163.14819	5.2
169.10130	4.7
170.10727	2.1
171.11693	13.7
173.13231	16.7
175.11107	1.9
175.14827	13.1
177.12653	2.6
180.29541	2.0
181.10191	3.6
183.11690	6.2
185.13188	12.4
187.14809	16.0
189.16391	5.6
195.11694	2.5
197.13257	5.4
199.14799	13.2
201.12814	3.2
201.16383	24.2
203.17963	6.3
209.13068	2.1
211.14827	6.6
213.16374	10.3
215.17935	7.0
225.16379	5.1
227.17958	7.4
229.16013	3.2
229.19514	2.9
237.16476	2.1
239.17975	5.9
241.19504	5.8
243.21143	4.2
245.22566	2.4
253.19524	4.6
255.21072	8.5
256.21838	4.2
257.22711	4.1
265.19394	2.6
267.21005	3.9
269.22665	3.7
279.21124	4.9
293.22723	2.9
297.22290	2.7
309.25751	5.7
311.26984	1.9
325.28696	2.7
335.27264	21.9
353.28369	100.0
354.28613	9.2
373.60635	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	353.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.2
61.22984	4.1
62.09458	4.4
65.03925	4.7
65.97123	4.7
67.05496	38.5
69.07061	30.0
70.06229	3.7
70.71214	5.9
79.05499	30.1
79.56754	3.7
81.07057	84.3
83.04977	10.5
83.08605	9.8
91.05471	31.2
93.07040	66.2
95.04957	56.7
95.08595	77.6
96.88632	4.1
97.10124	4.6
105.07030	73.5
106.85767	4.0
107.08593	72.4
109.06516	13.9
109.10150	40.1
117.07012	13.5
119.08581	65.9
120.08903	4.2
121.10157	46.2
123.08112	6.4
123.11705	14.0
129.06987	9.0
130.07756	4.6
131.08543	30.7
133.10120	64.2
135.11705	26.2
142.07755	5.4
143.08551	13.9
145.10104	46.3
147.11702	50.8
149.13254	19.1
155.08540	12.4
157.10138	29.7
159.11681	48.1
161.13252	25.8
163.14783	12.2
169.10191	12.3
171.11685	27.1
173.13243	20.4
175.14793	18.0
183.11678	12.1
185.13246	14.8
187.14833	25.8
189.16312	8.6
195.11639	6.3
197.13213	8.9
199.14803	18.5
201.16365	27.7
203.17967	6.9
209.13199	6.5
211.14781	12.6
213.16345	15.9
215.17940	8.4
223.14854	7.7
225.16393	9.3
227.17886	8.7
237.26941	4.7
239.17938	9.6
241.19609	6.3
251.18109	4.5
253.19504	10.8
255.21049	15.1
256.21860	7.2
257.19186	5.9
257.22720	4.8
267.21039	7.5
279.21005	8.7
295.24390	8.9
335.27286	26.2
353.28342	100.0
354.28656	11.9
360.67816	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	353.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05508	13.4
57.07075	3.7
64.65590	1.3
65.03931	3.5
67.05503	29.1
69.07063	14.1
69.60197	5.7
71.74011	1.3
72.36464	1.3
79.05491	23.9
81.07056	69.9
83.04955	2.0
83.08622	4.6
88.07420	1.4
91.05479	27.4
93.07040	49.6
95.04968	18.2
95.08600	47.1
96.08954	1.7
97.06513	4.6
97.10159	2.9
99.08065	2.1
105.04502	1.9
105.07023	47.6
106.07322	1.4
107.08591	41.2
108.08900	2.1
109.06505	5.4
109.10144	22.3
111.08071	2.1
112.03957	4.2
115.05450	1.7
116.06238	1.6
117.07022	8.8
119.08573	42.9
121.06521	1.7
121.10133	27.6
123.08064	3.5
123.11697	10.5
125.09573	2.8
128.06195	2.7
129.07008	5.8
131.08557	19.6
133.10120	26.6
135.08026	2.5
135.11699	17.8
137.09619	2.6
137.13310	1.8
142.07747	2.4
143.08554	13.9
144.09325	3.3
145.10120	34.0
146.10834	2.0
147.11681	26.8
149.09624	2.1
149.13231	12.0
151.11162	1.7
155.08534	2.9
156.09389	1.3
157.10114	18.2
158.10931	1.6
159.11687	32.4
159.12953	2.4
161.09544	1.5
161.13263	18.7
163.14810	6.3
167.08589	1.7
169.10132	7.6
170.10835	1.9
171.11682	13.5
172.12207	1.8
173.13251	16.2
175.11165	2.4
175.14851	9.7
177.16385	1.5
183.11723	6.6
185.13255	13.3
187.14803	15.3
189.12723	2.0
189.16360	5.7
190.31343	1.4
195.11639	2.7
197.13283	6.3
198.13905	2.2
199.14862	10.6
201.16414	14.8
203.14302	1.7
203.17981	3.7
209.13225	3.5
211.13129	1.3
211.14748	6.9
213.16351	12.3
215.14302	2.1
215.17926	8.7
217.15851	2.0
223.14867	4.0
225.16386	8.0
227.17889	8.9
229.19557	5.5
237.16362	2.1
239.17957	5.4
241.19518	4.0
243.17532	1.8
245.18904	1.9
253.19548	5.6
255.21077	6.0
257.18951	3.2
257.22586	1.6
265.19528	3.3
267.21060	4.6
269.22583	4.1
269.88800	1.5
279.21097	4.1
293.22803	2.5
295.24182	14.3
297.22122	2.7
325.28998	1.9
335.27377	22.1
353.14380	6.1
353.28363	100.0
354.28738	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	353.2835
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
51.02389	1.1
52.64466	0.9
55.05502	13.8
57.07060	2.2
59.04977	1.1
65.03934	2.5
65.82014	0.9
67.05160	1.7
67.05499	26.3
67.92087	0.9
69.03395	1.5
69.07063	13.7
69.59307	0.9
69.59634	4.0
73.95563	0.9
77.03915	1.8
79.05484	24.2
80.66615	0.9
81.07048	59.6
82.07384	1.9
83.04969	4.0
83.08600	7.2
85.06513	1.6
90.27384	0.9
91.05466	21.8
91.05986	1.7
93.07037	43.5
94.07335	1.1
95.04959	16.6
95.08595	48.8
97.06523	3.9
97.10158	2.0
97.15965	1.0
98.22693	1.1
103.05460	1.8
105.04491	0.9
105.07018	49.1
106.07362	1.3
107.08582	39.4
109.06514	7.1
109.10138	21.7
111.08057	2.8
113.09590	1.4
117.06998	8.4
119.08567	42.0
120.08823	1.0
121.06477	1.7
121.10130	29.0
123.08083	2.2
123.11716	7.5
125.09621	1.9
128.06148	1.7
129.07001	5.5
130.07788	1.8
131.08551	24.5
133.10118	27.8
135.08026	2.4
135.11678	16.1
137.09654	2.0
137.13269	1.9
138.37436	0.9
141.06938	1.6
142.07745	2.9
143.08560	13.6
144.09297	2.1
145.10107	32.6
146.10487	1.1
147.08049	1.2
147.11664	23.1
149.09544	1.8
149.13237	12.1
151.11154	1.6
155.08545	4.9
156.09267	3.0
157.10114	18.7
158.10851	2.1
159.08043	1.7
159.11676	32.6
161.09627	2.4
161.13245	18.8
163.11156	1.7
163.14783	7.7
165.12697	1.8
167.08586	1.7
169.10106	7.5
170.10898	1.5
171.11659	15.3
172.12144	1.9
173.13228	20.2
175.11128	1.7
175.14810	9.2
177.12683	1.4
177.16351	2.0
181.10091	3.2
182.10907	1.5
183.11644	6.1
185.13240	14.3
186.13776	1.4
187.11211	1.0
187.14801	12.7
189.12758	2.1
189.16342	7.6
191.14331	1.9
194.11133	1.4
195.11691	3.3
196.12486	1.2
197.13225	9.1
199.14798	13.2
200.15292	1.2
201.16360	14.9
202.16721	1.2
203.14302	1.6
203.17955	4.2
209.13239	3.4
210.13803	1.4
211.14821	7.9
212.15410	1.7
213.16338	11.7
214.16934	1.6
215.17996	7.1
217.15829	1.2
219.17332	1.2
220.12405	1.2
223.14798	3.5
225.16373	6.3
227.17915	10.4
229.15959	1.9
229.19337	4.4
231.17455	1.1
237.16362	3.0
239.17809	4.3
241.19446	5.3
243.17387	2.0
243.21086	1.9
245.18924	1.1
251.18098	2.4
253.19615	5.7
255.21063	6.1
257.18832	1.9
257.22763	2.1
265.19547	3.7
267.21011	6.7
269.19553	0.8
269.22662	4.2
271.20569	2.6
279.21045	5.7
281.22696	1.7
283.20471	2.0
293.22647	3.1
295.24191	6.5
297.22174	4.4
307.24283	1.6
309.25723	3.5
325.28992	2.0
335.27267	22.6
336.27594	1.2
353.28345	100.0
354.28720	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	353.2839
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
53.03932	1.6
55.01852	1.1
55.05513	13.4
57.07082	2.1
65.03936	1.7
67.05505	24.8
69.07071	13.4
69.21159	1.1
69.59829	4.2
70.69939	1.1
71.04982	1.3
79.05490	28.0
81.07056	70.3
83.04967	4.8
83.08608	3.6
91.05471	28.1
93.06452	2.3
93.07042	48.7
94.07371	2.3
95.04404	2.0
95.04971	20.6
95.08604	47.3
97.06516	2.5
97.10143	3.3
98.23435	1.7
105.07027	50.9
107.08596	39.3
108.08945	1.4
109.06530	7.2
109.10158	27.9
111.08073	1.9
111.11741	1.5
115.05456	2.3
117.07007	8.6
119.08580	46.3
120.08899	1.2
120.22913	1.2
121.06527	2.0
121.10146	32.0
123.08063	4.0
123.11703	10.9
124.62092	1.0
125.09639	2.0
128.06226	1.5
129.06990	4.0
130.07799	2.7
131.08572	24.1
133.10121	31.6
134.10518	1.6
135.08029	3.0
135.11694	18.6
137.09607	2.4
137.13246	2.0
141.06950	1.2
142.07785	3.3
143.08568	13.2
144.09319	2.7
145.10114	34.6
147.11682	26.2
149.09641	2.3
149.13246	12.1
151.11198	1.4
155.08542	4.3
156.09334	2.7
157.10112	18.7
158.10825	2.1
159.11687	31.2
160.12083	2.1
161.09592	1.4
161.13263	21.4
163.11163	4.1
163.14818	5.9
167.08545	1.2
169.08858	1.2
169.10115	8.2
170.10901	2.5
171.11676	14.5
172.12463	2.1
173.13271	18.8
174.13835	1.5
175.11162	1.4
175.14769	10.2
175.15912	1.0
177.12761	1.3
177.16422	2.5
181.10089	2.3
183.11635	8.0
185.13237	11.6
187.14798	17.0
189.12747	1.7
189.16411	8.0
191.14287	1.3
195.11717	4.0
197.13278	9.5
199.14818	14.3
201.16368	14.8
203.14323	2.0
203.17865	5.3
205.15878	2.2
207.89737	1.3
209.13239	4.4
211.14822	7.8
213.16386	12.2
214.16905	1.1
215.17938	7.7
217.19490	1.7
223.14870	3.4
225.16426	5.0
227.17909	8.7
229.15831	1.5
229.19550	4.6
231.17387	1.1
237.16357	2.9
239.17924	6.7
241.19508	5.2
243.17415	1.7
243.21097	1.3
245.19032	1.2
251.17867	2.2
253.19606	5.9
255.21216	6.7
257.19006	1.5
257.22733	1.5
259.20572	1.9
265.19519	3.9
267.21017	5.9
269.22748	3.1
271.20624	2.1
279.21097	5.8
281.22473	1.5
283.20645	2.1
293.22562	2.0
295.24219	8.2
297.22031	2.9
309.25812	2.7
325.28787	2.2
335.27252	20.7
335.30777	1.9
336.27774	2.1
339.16788	1.1
353.14481	2.1
353.28378	100.0
354.28812	9.9
372.82745	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	353.2839
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
55.05500	17.6
57.07049	7.6
67.05503	39.7
69.07050	32.5
69.86909	14.5
69.87238	7.3
74.57070	6.3
75.14120	5.5
79.05495	19.6
81.07050	70.9
83.04949	9.6
83.08638	6.6
91.05463	39.0
93.07040	50.6
95.04960	43.5
95.08604	61.3
97.06542	9.0
97.10149	6.7
98.22681	8.1
105.07025	69.1
107.08575	49.8
109.06506	11.2
109.10167	38.1
117.07033	10.5
119.08575	60.0
121.10137	32.5
123.11710	15.9
129.06909	7.8
131.08571	29.7
133.10141	49.9
135.11693	26.1
143.08569	10.8
145.10106	55.8
147.11702	34.4
149.13300	12.6
155.08525	10.2
157.10155	19.9
159.11630	38.8
161.13239	29.4
164.94983	5.5
169.10114	16.2
171.11716	18.3
173.13246	18.1
175.14832	15.6
183.11752	11.2
185.13235	17.3
187.14731	14.6
189.16434	16.5
196.41139	5.9
197.13312	6.5
199.14771	14.3
201.16356	23.7
211.14702	6.3
213.16315	7.7
215.17891	7.8
225.16315	9.0
227.17931	8.1
239.51303	6.5
241.19530	7.7
253.19574	8.5
255.21051	10.8
335.27194	16.8
353.28381	100.0
354.28827	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	353.2837
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
55.05495	14.5
57.07044	2.2
65.03918	3.5
67.05498	22.6
67.18031	1.9
69.03445	2.5
69.07065	22.7
69.51895	4.2
69.52282	3.9
79.05490	22.3
81.07052	58.2
83.04969	9.3
83.08605	8.8
84.05003	2.5
85.85271	2.1
89.39559	1.7
91.05482	22.6
93.07033	47.8
95.04964	41.3
95.08024	3.5
95.08597	56.7
97.06521	4.8
97.10148	3.7
98.22749	3.7
105.07014	43.4
107.08586	55.9
109.06507	11.9
109.10146	37.0
117.07001	8.8
119.08575	44.2
121.06409	2.5
121.10137	36.8
123.08033	3.4
123.11724	10.6
125.33022	2.2
128.06154	2.2
129.07004	6.4
130.07700	2.2
131.08563	23.6
133.10117	45.2
135.08020	5.3
135.11674	20.2
137.09610	2.4
143.08516	8.5
144.09328	2.6
145.10114	35.6
147.11681	40.8
149.13222	14.7
155.08484	4.7
157.10139	18.2
158.10928	2.6
159.11685	32.3
160.12076	2.1
161.09535	2.1
161.13237	24.5
162.13541	2.5
163.11119	2.5
163.14818	7.4
169.10138	5.6
171.11729	13.7
173.13252	23.3
174.13824	3.2
175.14818	14.9
183.11661	8.2
185.13286	13.0
187.14804	20.4
189.12794	3.1
189.16362	8.5
191.14346	3.9
195.11652	2.9
197.13269	6.3
199.14845	13.3
201.16374	26.2
203.14331	2.4
203.17926	3.8
209.13243	3.4
211.14841	8.3
213.16418	15.7
215.17924	6.1
223.14758	3.5
224.15317	2.1
225.16267	4.0
227.17929	8.1
229.15895	3.2
229.19508	3.9
234.76213	1.9
239.17912	6.4
241.19467	9.1
243.17281	2.7
243.21057	2.3
246.00366	2.0
251.17934	4.7
253.19530	5.7
255.21040	11.7
256.21747	7.0
257.22577	3.6
265.19528	4.4
267.21115	7.2
269.22626	5.5
271.20654	2.5
279.20908	5.0
297.22049	4.2
309.25720	8.3
325.28830	3.7
335.27338	24.0
353.28333	100.0
353.35315	4.4
354.28635	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	353.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	15.9
57.07072	6.1
67.05505	29.7
69.07069	20.8
71.04987	4.0
71.08633	4.7
76.09982	2.1
79.05500	20.9
81.07053	66.6
83.04980	4.0
83.08624	6.1
89.06026	2.9
91.05473	24.2
93.07035	47.1
95.04967	31.6
95.08598	55.9
97.06525	9.4
97.10152	3.1
105.07026	59.6
107.08588	49.3
107.60432	2.2
109.06512	9.0
109.10158	31.1
111.11747	2.1
117.07014	10.5
119.08574	48.3
121.06510	9.2
121.10138	33.5
123.08060	2.5
123.11681	11.0
127.01541	10.0
128.06242	3.5
129.06975	9.6
131.08560	26.3
133.10127	39.5
135.08049	4.8
135.11668	16.3
137.09573	2.7
142.07758	2.9
143.08557	18.2
145.10120	39.2
147.08218	2.8
147.11684	26.1
149.13239	12.6
151.11200	2.7
155.08614	5.1
157.10114	20.2
159.11702	38.6
161.13258	18.4
163.11177	4.6
163.14893	5.4
164.15186	2.4
169.10176	8.8
170.10873	2.9
171.11679	21.6
173.13289	23.7
175.14790	12.9
177.12769	2.5
183.11717	8.5
185.13240	15.4
187.11214	2.8
187.14812	22.9
189.12640	2.2
189.16347	12.1
197.13298	6.5
199.14816	15.7
201.16374	32.6
203.18039	3.3
209.13306	4.6
211.14891	7.2
213.16339	16.2
215.17883	6.4
223.14993	2.5
225.16420	7.1
227.17966	5.9
229.19440	3.5
231.17381	2.5
237.16319	3.4
239.17896	4.5
241.19563	5.9
242.87686	2.6
253.19463	5.6
255.21172	7.4
257.22562	3.4
265.19473	3.0
267.21057	6.5
269.22681	9.3
279.21078	4.5
297.22247	3.1
309.25778	4.2
335.27347	22.4
353.28378	100.0
354.28815	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	353.2838
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
55.05502	20.9
57.07079	5.3
63.00475	3.6
67.05500	41.5
68.07966	4.6
69.07052	35.6
70.72393	6.8
70.72715	5.7
79.05489	40.0
81.07053	78.5
83.04977	8.2
83.08628	7.8
87.42189	4.3
91.05472	40.5
93.07039	56.4
95.04960	75.0
95.08597	71.9
97.06569	5.8
97.10108	4.8
105.07009	74.3
107.08579	61.9
109.06509	12.4
109.10156	35.6
111.08109	6.2
116.78941	3.9
117.06974	13.9
119.08569	78.3
121.10126	39.1
123.11702	14.6
129.07030	6.7
131.08557	37.9
133.10110	48.2
135.11671	15.5
137.13301	4.2
141.07016	4.4
142.07730	6.5
143.08473	21.4
145.10101	42.1
147.11682	37.0
149.13245	16.4
156.09344	5.2
157.10133	23.2
159.11700	36.6
161.13225	21.3
163.14769	7.7
169.10106	8.9
171.11681	18.7
173.13199	28.3
175.14816	12.6
177.84381	4.1
183.11623	7.7
185.13199	13.7
187.14876	23.1
189.16399	7.5
195.11664	7.0
197.13263	8.3
199.14804	13.9
201.16385	27.4
208.02446	11.0
211.14873	8.5
213.16412	19.7
215.14398	4.3
215.18085	5.2
225.16292	6.3
227.17961	5.8
239.17947	8.1
241.19611	8.2
243.05350	4.4
243.21156	7.4
251.18086	4.1
253.19528	10.1
255.21188	11.6
256.21527	4.1
309.25775	6.0
335.27344	21.8
336.08548	9.6
353.28326	100.0
354.28653	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	354.097
Annotation	9-Methoxyaristolactam IV
Peak:m/z	Relative Intensity
53.03942	1.5
62.69628	1.3
63.02374	1.7
65.03921	3.6
68.99790	5.7
69.30134	3.8
69.30540	3.1
74.47043	1.2
81.03405	4.0
84.04521	1.9
91.05489	4.9
93.03419	3.3
95.04963	2.6
103.05463	25.0
104.04989	11.1
105.03387	5.5
105.07042	1.8
106.02898	1.2
108.04475	4.0
109.02863	12.4
110.06046	2.2
116.04954	7.1
119.04915	1.2
120.04455	3.3
121.02857	10.9
126.01047	10.0
131.01303	5.1
131.04921	88.0
132.04433	6.4
132.05252	2.4
133.02823	2.3
136.03928	1.9
137.02342	5.5
147.00751	25.7
148.03922	4.5
149.02353	6.8
152.03423	7.9
154.05002	7.8
159.00787	3.9
160.03925	35.3
161.02357	11.2
163.03851	2.5
164.03427	3.0
165.01852	19.5
166.99731	1.4
167.03424	2.9
169.01346	3.8
173.05962	4.6
175.62878	1.2
176.03419	7.2
177.01874	6.3
178.05008	9.2
179.03365	3.1
182.04529	1.5
185.00795	3.5
187.00237	16.6
188.03391	1.4
189.01796	10.4
190.01329	3.1
191.08556	2.6
194.04488	10.5
195.02805	6.8
204.02946	16.2
205.01323	42.8
206.04488	8.7
207.02853	14.4
208.02391	2.4
214.99733	14.5
222.03960	69.5
223.02327	9.3
223.04298	2.4
225.01933	1.7
232.02394	100.0
233.00783	24.0
233.02795	2.4
240.04984	7.3
250.03473	51.7
251.01849	5.0
251.07027	4.5
252.21837	1.4
263.07068	2.4
265.08591	4.5
268.04501	7.2
271.06039	2.8
273.07556	3.7
275.06998	1.4
281.08109	3.4
290.08020	1.7
291.06433	14.8
293.07996	16.9
294.07797	2.8
295.06000	1.5
308.09146	25.0
309.07446	7.2
310.10696	9.3
326.10086	3.4
336.08615	10.2
337.06903	6.3
354.09647	15.0
354.13687	1.8
355.07892	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03696	1.0
53.03937	8.9
54.42000	0.4
59.03465	0.5
60.05637	1.5
62.22216	0.4
64.80672	0.5
64.95625	0.4
65.03933	1.8
67.01860	0.7
68.99801	1.5
70.06592	1.0
71.43064	0.5
72.05643	0.6
79.05479	0.7
81.03415	19.5
83.07352	1.7
90.97928	0.5
91.05474	1.0
93.03390	0.7
95.04955	1.0
103.05444	2.0
105.03370	1.4
105.07027	0.8
107.04932	0.6
109.02881	1.8
121.02852	11.7
127.09235	0.5
131.04913	5.8
133.02858	0.6
137.02332	0.5
140.03471	0.6
140.26596	0.4
145.37529	0.5
147.04436	2.7
149.02336	6.5
151.03918	0.9
154.04997	1.0
156.76416	0.4
163.03860	4.4
164.70479	0.4
167.03392	24.9
176.00497	0.4
176.03378	0.5
177.01819	11.9
179.08621	0.9
183.08029	0.5
185.00816	1.0
189.01874	0.8
190.01375	1.8
190.04987	1.6
191.03386	12.0
191.05138	0.8
193.06342	0.5
194.04379	0.8
195.02882	100.0
196.03252	2.7
197.09631	0.7
203.03366	3.6
204.02893	1.7
204.06432	0.4
205.01317	43.3
206.01663	1.4
206.04582	0.9
207.02924	1.1
207.08136	0.6
208.02390	4.5
221.00858	0.7
221.06038	0.7
222.01476	0.6
222.01817	0.7
222.03995	5.0
223.02379	52.9
224.02750	1.9
225.09082	1.5
232.02390	2.1
232.06120	1.4
233.00795	41.8
234.01147	1.6
234.03844	0.6
235.07594	1.0
239.07010	0.8
240.05029	4.5
250.03455	62.8
250.07042	3.2
251.01357	1.0
251.03841	1.4
253.08575	7.7
267.06485	0.9
268.04477	5.7
271.06085	0.5
272.09128	0.8
281.08051	16.4
282.08597	0.8
291.06302	0.6
294.07675	1.3
294.10849	0.7
295.09613	5.6
307.09686	1.0
308.09122	1.0
309.07541	35.4
310.08069	2.2
322.08325	0.5
325.10831	0.6
326.10202	24.2
327.10605	1.4
336.08591	3.5
336.12732	1.5
337.06461	2.6
338.10388	0.5
354.09888	3.2
354.13608	4.4
358.22461	0.5
368.01193	0.5
378.84525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26513	1.2
60.40771	1.3
65.03937	4.0
68.99421	2.4
68.99786	32.8
69.23932	2.7
69.24333	4.2
77.03940	2.9
80.01369	1.8
80.05010	2.3
81.03410	5.1
84.04516	16.6
91.05460	2.0
93.03423	2.3
95.04948	2.7
103.05467	31.1
105.02771	1.3
105.03398	9.0
105.07018	7.9
108.04461	4.8
109.02875	10.9
110.02396	3.0
111.04433	6.3
111.77328	1.3
112.03967	1.9
121.02876	6.8
122.02374	6.4
126.05515	1.9
131.04921	90.5
132.05219	3.1
133.02873	9.0
136.03915	9.0
137.02339	2.0
139.00258	5.7
140.03377	2.1
147.00798	3.2
148.03915	4.6
149.02315	2.6
152.03389	1.5
154.04984	76.0
155.03380	2.1
155.05261	1.4
161.02324	22.2
162.01855	3.9
163.03899	2.4
164.03357	2.1
164.36618	1.4
165.01863	15.9
166.99754	11.2
169.01367	2.5
173.06001	1.3
176.03470	2.3
176.93407	1.4
177.01788	9.6
178.53064	1.5
182.04486	1.8
185.00797	31.9
189.01810	37.1
190.01309	28.4
191.03441	2.7
194.04523	1.9
195.02951	2.5
204.02910	31.7
205.01324	8.8
207.02870	77.9
208.02325	19.8
214.99731	4.8
215.03433	1.6
216.33328	1.4
219.08159	1.4
221.06053	1.5
222.03926	3.7
223.02330	3.4
225.05464	2.3
232.02394	76.6
233.00763	5.4
233.02864	1.7
237.09134	4.2
250.03456	100.0
251.01756	7.8
251.07043	2.4
265.08530	2.0
268.04501	37.1
271.06000	18.2
273.07434	1.7
291.06412	2.8
293.08057	98.7
294.07669	22.8
308.09122	6.9
309.07373	2.2
319.06027	2.0
336.08630	50.5
337.06830	14.2
352.03128	1.5
354.09680	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	354.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01877	9.2
60.05652	13.4
65.03944	4.6
67.05499	1.5
68.99780	3.6
69.04283	4.2
69.04707	5.8
69.46078	1.3
72.05644	1.7
74.26109	1.2
77.03977	1.6
77.51867	1.2
79.05499	3.7
81.03397	6.9
82.06580	2.0
83.07349	1.7
91.05483	4.6
93.03408	1.6
95.04978	3.2
98.06033	1.6
103.05460	32.8
104.04982	2.1
105.03359	2.4
105.07050	2.0
107.04960	4.3
108.03016	1.1
108.04478	2.9
109.02863	20.6
112.03974	1.8
120.04503	1.4
121.02876	6.2
126.05508	3.0
127.03891	6.3
131.04924	100.0
132.05298	3.1
135.04420	3.8
137.02333	25.8
147.00772	1.4
147.04399	12.0
148.03970	2.2
149.02316	2.9
150.01865	2.8
151.03891	3.9
152.03404	1.7
154.05040	4.1
159.00769	1.4
160.03967	3.3
160.23564	1.3
163.03893	23.5
163.05148	2.0
164.03421	3.1
165.01833	9.5
172.98824	1.2
173.05907	1.4
176.03415	4.9
177.01852	4.7
178.04965	1.9
179.03433	1.3
181.04910	1.7
182.03044	1.4
182.04420	6.8
189.01866	1.9
190.05014	8.2
191.03377	71.4
192.03755	1.2
194.04558	4.1
195.02899	10.8
195.07950	1.5
204.02951	7.7
205.01285	13.9
206.04437	2.2
207.02945	2.5
208.02553	1.6
209.04433	1.7
214.05963	2.0
222.03958	35.5
223.02351	20.4
223.04449	1.6
232.02426	8.5
232.07281	1.9
233.00790	11.0
234.07573	2.0
235.07565	2.3
239.07083	1.7
240.05042	4.3
240.78621	1.3
250.03471	15.9
250.08107	3.8
251.01929	5.6
253.08505	1.4
263.07178	2.3
268.04456	8.3
275.07047	1.4
281.08054	14.7
291.06470	9.2
293.08194	1.9
294.08148	1.4
294.11340	4.9
295.09619	31.2
296.09995	1.3
308.09106	16.0
309.07529	6.9
326.10306	3.6
336.08624	5.7
336.12820	1.9
337.07062	4.3
354.09634	7.6
354.14410	11.2
355.16418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03952	4.5
55.01871	8.2
56.53676	0.6
60.00869	0.7
60.05643	3.3
63.96090	0.8
65.03931	3.0
68.99786	1.8
69.68337	2.4
70.06611	1.0
77.03890	1.6
79.05496	1.8
80.05026	1.5
81.03419	7.9
82.06594	0.8
83.07341	1.1
83.16807	0.6
84.04494	2.5
91.05463	2.8
93.03397	1.4
94.94853	0.7
95.01339	1.0
95.04958	2.5
96.08123	1.4
98.06045	1.3
98.22694	0.7
103.05463	31.0
104.04981	1.3
105.03397	2.0
107.04923	1.0
108.04458	2.4
109.02871	17.5
110.06052	0.9
110.79158	0.7
111.04430	0.8
112.03993	1.0
120.04525	1.7
121.02862	4.3
123.04453	0.8
126.05500	1.6
127.03897	6.0
131.04922	100.0
132.05251	2.7
133.02831	1.3
135.04411	1.2
136.03947	1.4
137.02336	24.5
139.03885	0.7
140.03432	2.0
147.00787	1.8
147.04382	2.7
148.03944	1.8
148.07547	2.0
149.02301	3.4
150.01857	2.4
151.00237	1.1
151.03896	4.1
152.03442	2.9
154.04997	2.1
160.04008	3.3
161.02351	1.3
163.03896	6.9
164.03322	3.4
165.01842	7.1
165.06985	1.2
167.03403	3.1
168.02916	13.6
169.01305	0.8
176.03433	4.8
176.07085	0.8
177.01805	4.8
178.04932	1.2
179.03363	1.3
179.08539	0.8
180.02995	0.9
181.01340	1.3
182.04477	7.7
189.01852	0.9
190.01291	1.8
190.04971	1.7
191.01761	1.3
191.03383	17.5
191.08507	1.2
194.04416	3.6
195.02893	10.4
199.03908	1.6
201.05376	0.8
204.02922	6.6
204.06688	0.9
205.01318	12.3
206.04510	2.0
207.02882	2.2
208.02405	2.2
219.08044	1.5
222.03970	35.0
223.02373	18.6
223.04279	1.3
223.07593	1.1
232.02405	11.2
233.00786	12.4
233.02829	1.2
234.03957	0.7
235.07547	2.5
235.49010	0.7
238.18002	1.1
240.05017	5.0
250.03467	18.1
250.07285	2.1
251.01794	5.9
253.08620	1.5
263.07031	3.1
267.06418	0.9
268.04477	8.8
272.09161	12.5
275.07001	2.1
281.08084	17.9
282.08359	0.8
291.06461	11.9
291.09476	1.1
293.08002	1.5
294.07770	1.1
294.11127	1.3
295.09668	9.9
296.68863	0.9
307.09866	1.0
308.09171	14.4
309.07422	7.2
312.08713	1.0
319.05942	1.9
326.10260	3.1
336.08615	5.5
336.12311	1.7
337.06345	3.7
354.09616	7.0
354.13760	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	354.0969
Annotation	9-Methoxyaristolactam IV
Peak:m/z	Relative Intensity
51.36111	1.4
53.03936	1.1
54.09190	1.0
65.03937	3.4
65.26189	1.3
68.99789	26.6
69.28461	7.4
69.88633	1.3
76.14192	1.4
80.05015	1.3
81.03403	2.5
84.04504	14.7
91.05453	1.9
103.05460	23.1
105.03370	4.3
105.07030	6.8
108.04455	3.7
109.02895	7.0
109.99529	1.2
110.02412	2.6
111.04418	6.3
112.03961	3.1
121.02881	4.4
122.02365	3.8
126.05565	2.6
131.04918	56.7
132.05260	1.4
133.02858	9.5
136.03938	5.6
137.02432	1.9
139.00267	2.9
147.00726	4.3
148.03979	1.3
149.02298	1.5
150.70677	1.3
154.04984	82.0
155.03435	2.4
155.05243	1.3
161.02324	20.5
162.01881	4.3
163.03911	1.5
164.03381	1.3
165.01854	13.1
166.99837	6.1
176.03435	2.8
177.01883	9.7
183.04449	2.3
185.00818	24.9
189.01814	26.6
190.01326	23.3
190.02917	1.7
191.03496	2.1
204.02928	17.3
205.01378	3.4
207.02875	53.8
208.02347	14.3
214.99632	1.9
222.03993	1.9
223.02443	1.7
232.02380	52.0
233.00771	2.6
233.02803	2.3
237.09100	3.1
250.03456	100.0
251.01875	5.3
251.04123	2.3
251.06874	1.8
268.04517	40.5
271.06006	15.9
272.06506	1.9
274.23114	1.4
293.08060	71.4
294.07654	16.1
308.09134	3.3
309.07309	1.6
312.08548	2.0
336.08621	33.0
337.06717	9.0
354.09735	24.1
370.00040	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.4
52.52111	2.3
56.86790	2.6
61.40738	2.2
65.03942	3.3
67.00488	2.8
68.95629	2.5
68.99786	27.2
69.92043	2.6
77.03929	3.5
84.04499	10.0
91.05485	3.8
95.04942	2.6
98.22728	8.7
103.05468	31.8
105.03389	7.0
105.07033	6.6
108.04438	3.5
109.02865	13.8
111.04433	4.2
121.02881	4.6
122.02396	3.9
126.05507	2.7
131.04926	100.0
132.05289	3.0
133.02866	11.6
136.03889	5.9
139.00208	6.0
147.00800	8.1
148.03952	3.6
149.02319	4.2
154.04967	48.8
155.05048	2.6
160.03958	4.1
161.02345	27.1
162.01852	4.5
165.01830	20.5
166.99765	6.1
169.01241	3.5
176.03441	3.5
177.01831	7.2
182.04578	2.9
185.00754	23.6
187.00301	4.3
189.01826	36.9
190.01312	30.0
204.02930	28.8
205.01332	18.6
207.02881	79.5
207.04814	4.0
208.02357	12.2
214.99786	7.1
222.03923	16.3
223.02408	6.1
223.07462	3.7
231.03851	3.0
232.02408	84.1
232.04245	3.3
233.00679	11.9
233.02876	3.3
244.71016	2.3
250.03435	66.7
250.05887	4.9
251.01834	8.7
251.06958	3.5
265.08612	4.3
268.04434	22.3
269.04901	3.1
271.05930	12.7
273.07684	2.6
291.06445	4.5
293.08057	98.4
294.07751	20.6
308.09149	10.1
309.07361	4.3
336.08621	38.4
337.06750	13.6
354.09644	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	2.1
57.52177	2.1
65.03943	3.7
67.05501	2.4
68.99795	26.8
69.60820	7.0
70.06595	2.6
77.03939	3.7
81.03402	6.2
84.04494	16.0
84.08156	2.8
91.05453	3.4
93.03394	3.2
103.05469	34.2
105.03391	6.4
105.07029	9.0
108.04492	4.2
109.02880	23.2
110.02392	4.1
111.04449	6.7
112.03948	2.5
112.24673	1.8
121.02851	8.6
122.02368	3.4
126.05531	3.1
126.09156	5.5
131.01312	2.1
131.04922	92.8
132.05269	3.1
133.02840	8.4
136.03952	8.1
137.02336	7.6
139.00209	4.4
139.03885	2.4
141.07001	2.0
147.00749	9.1
148.03951	3.4
149.02338	9.1
152.03487	2.0
154.04982	90.5
160.03931	2.8
161.02318	17.1
162.01894	3.1
163.03918	2.5
165.01828	20.8
166.99792	7.1
167.03345	3.7
169.01268	2.5
176.03447	3.7
177.01875	12.9
178.04913	2.5
179.03398	2.1
185.00815	24.1
187.00215	3.2
189.01831	33.2
190.01306	21.3
191.03384	4.3
194.04535	4.0
195.02963	5.3
204.02950	21.7
205.01340	17.3
206.04468	4.2
207.02872	67.0
208.02374	18.5
209.09752	2.0
214.99789	5.7
222.03967	13.1
223.02374	12.7
224.20149	9.4
232.00064	3.9
232.02390	71.3
232.04593	3.7
233.00749	12.9
235.02315	3.3
237.09225	2.5
250.03467	100.0
251.01843	8.4
251.04134	3.1
251.06654	2.4
265.08612	3.4
268.04517	44.5
271.05997	15.5
281.07993	4.7
291.06439	4.2
292.11618	4.0
293.08060	74.1
294.07693	16.4
308.09286	5.8
309.07605	6.7
312.08911	2.0
319.06128	2.2
334.19278	2.1
336.08643	30.5
336.12216	3.1
337.06851	16.4
354.09695	25.0
354.13916	3.2
354.27585	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	354.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.1
51.47390	0.8
53.03939	3.7
55.01876	7.3
58.61509	0.7
60.05651	6.9
65.03939	3.9
68.99802	2.9
72.05644	1.7
77.03933	1.7
79.05491	3.2
81.03412	10.8
83.07355	1.2
84.04512	0.7
84.08121	1.0
91.05487	4.4
93.03385	1.3
93.25511	0.7
95.01312	0.8
95.04976	2.9
103.04773	1.7
103.05468	34.0
104.04989	1.3
104.05750	0.7
105.03400	2.1
105.04492	0.8
105.07054	1.2
107.04957	3.7
108.04494	2.9
109.02873	16.0
110.06038	3.1
111.04455	1.4
112.03963	1.3
115.05408	0.8
120.04427	1.9
121.02849	5.2
121.45863	0.8
122.05972	0.7
126.05547	2.0
127.03915	8.2
131.04922	100.0
132.05257	2.7
133.02832	1.6
135.04428	3.0
136.03865	1.0
137.02330	28.6
137.05957	1.5
147.00768	1.4
147.04399	7.7
148.03889	1.1
149.02345	3.0
150.01881	2.3
151.00229	1.1
151.03925	4.8
151.19408	1.0
152.03442	2.4
154.05011	4.8
155.03508	1.2
160.03932	3.4
161.02368	1.7
163.03912	17.3
163.05287	1.0
164.03406	3.3
165.01813	8.5
165.06953	1.4
167.03424	2.9
167.08566	0.9
168.02907	1.9
169.01347	1.3
171.04411	1.2
173.06010	1.4
176.03418	6.4
177.01822	5.6
178.04987	2.1
179.03429	1.6
179.08591	2.0
180.02930	1.3
181.01260	1.0
182.04523	6.6
185.00667	0.8
190.01282	1.0
190.05016	5.0
191.03383	51.1
192.03720	1.0
194.04460	4.3
195.02908	10.3
196.03123	0.9
199.03845	1.2
201.05511	2.1
204.02882	7.0
204.06506	1.2
205.01347	12.9
206.04498	2.0
207.02922	2.6
207.08170	1.1
208.02457	2.4
209.04405	2.4
214.06186	1.3
222.01765	1.7
222.03967	34.9
223.02376	18.9
223.04485	1.3
232.02420	11.6
232.06117	0.8
232.07132	0.8
233.00795	12.5
234.07491	0.9
235.07524	2.9
240.05055	5.4
250.03485	14.5
250.07887	3.6
251.01768	5.7
253.08809	1.2
255.06528	1.0
263.06979	2.6
268.04529	10.7
275.06937	1.9
281.08084	17.6
282.08493	1.2
291.06482	11.3
293.08151	2.6
294.11230	3.2
295.09616	24.0
296.10016	1.0
308.09158	15.3
309.07394	8.0
318.07629	1.1
319.05933	1.6
326.10205	3.6
336.08603	5.2
336.12820	2.4
337.06857	5.1
354.09604	8.7
354.14127	7.7
354.27512	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	354.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.05017	0.2
56.65665	0.2
57.03423	0.2
58.06585	0.3
60.05645	0.4
61.01125	0.2
62.99470	0.2
69.03426	0.9
69.87562	0.5
69.87944	0.4
70.06570	0.3
72.08144	1.3
73.56605	0.2
74.44810	0.2
74.51221	0.2
81.03400	0.3
81.07049	0.3
83.08611	1.1
84.04491	0.4
84.08945	0.7
84.96590	0.2
85.02902	1.3
85.06555	0.2
91.05471	0.3
93.07035	0.3
94.99742	0.2
97.02859	1.0
98.22747	0.3
101.09661	0.3
104.09671	0.2
111.04424	0.7
112.99960	0.2
114.10298	0.5
115.08682	1.2
116.09014	0.5
119.04964	0.2
120.08102	0.3
121.02874	2.1
122.03197	0.6
126.46007	0.2
127.01554	2.0
127.03915	0.4
131.12943	1.2
131.56117	0.2
132.05579	1.0
132.13239	0.6
133.06348	0.6
136.06177	0.9
154.53180	0.2
157.12218	0.4
160.05049	100.0
161.05423	2.4
177.81555	0.2
180.08864	0.4
181.04948	0.2
182.15416	0.3
188.74539	0.2
191.03177	0.2
192.07661	94.9
193.08005	2.9
207.08632	0.3
208.08777	0.5
220.11926	0.3
223.31728	0.2
250.09497	0.5
337.03149	0.3
354.04517	0.9
354.12637	1.8
354.15997	0.3
354.19913	0.3
355.03818	0.8
355.13638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1335
Annotation	Imeluteine
Peak:m/z	Relative Intensity
50.01601	0.3
51.02381	0.7
51.04792	0.2
53.72771	0.2
55.01869	0.3
66.30346	0.2
67.05495	0.3
68.99788	2.8
69.58630	0.2
69.58963	0.8
76.17535	0.2
76.79682	0.2
78.03446	1.5
79.01859	0.6
79.05485	0.3
91.05473	2.0
93.07042	0.2
95.04990	0.3
96.04488	100.0
97.02892	1.7
97.04836	1.5
101.12141	0.2
103.05481	0.6
105.07033	0.9
107.01313	1.4
107.04940	3.9
109.02864	0.2
115.05474	0.3
117.07049	0.2
119.04935	4.8
119.08562	0.2
121.06528	1.2
123.00787	0.3
124.01567	0.4
125.02351	8.5
127.05374	0.2
133.06499	1.3
134.07245	1.4
135.08057	2.7
136.07541	1.3
137.03485	0.4
143.04941	0.3
145.06445	0.4
147.04401	8.5
148.04752	0.2
149.05957	0.2
155.04935	0.5
161.06001	0.3
171.04361	0.4
173.05978	0.6
189.05487	0.7
194.08261	0.2
217.04956	4.1
217.08083	0.2
218.05322	0.2
240.78625	0.2
259.09659	8.3
260.10019	0.3
294.24213	0.3
354.13260	2.3
355.18573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05632	2.6
65.19888	0.8
65.96795	0.8
68.99791	1.4
70.06591	39.3
70.50552	0.9
72.05627	1.0
79.05473	1.1
91.05478	1.1
95.04973	1.0
98.06049	71.3
99.06406	1.5
103.05476	5.2
107.04948	1.3
108.08082	1.0
110.05985	0.8
122.06022	1.5
131.04927	13.8
132.05263	0.9
136.07576	14.6
140.07068	1.0
147.04431	3.1
148.07533	1.1
153.01822	13.1
153.17264	0.8
162.05502	8.2
163.03899	4.6
164.07051	1.3
165.01842	4.7
169.01236	1.1
175.03981	1.4
176.07077	2.0
177.01776	1.0
180.06531	1.0
183.02893	1.5
187.03926	0.9
189.01788	4.0
190.05009	4.8
191.03368	17.2
191.05145	1.0
195.93729	0.9
203.03384	4.1
204.02975	4.6
204.06558	11.1
205.01283	2.6
205.04959	2.6
207.02879	1.8
208.02328	0.9
208.06042	0.9
214.04956	2.2
215.03358	0.9
221.04379	2.1
222.03831	1.0
222.07690	1.2
232.06032	100.0
233.06406	4.5
238.17943	0.9
250.03432	1.3
250.07050	8.7
257.08087	38.5
258.08469	1.9
269.07965	0.9
273.07632	0.9
293.08051	2.9
294.11258	3.6
295.09637	7.4
307.09528	5.1
336.12286	63.9
337.12796	6.3
354.13492	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	354.1335
Annotation	(-)-Chelidonine
Peak:m/z	Relative Intensity
55.01869	0.6
60.05637	1.1
62.77188	0.6
62.78197	0.5
62.78712	0.5
67.01855	0.6
68.05013	0.7
68.99770	1.3
69.01372	0.5
69.22104	3.4
70.06587	27.7
71.06998	0.5
79.05463	1.1
81.72063	0.5
81.72550	0.5
82.06565	0.6
82.85892	0.5
83.07346	1.0
84.08128	0.7
84.91150	0.6
91.05490	1.1
94.06577	0.9
95.04982	0.7
98.06049	45.1
98.23457	1.1
103.05460	3.2
105.03387	1.2
107.04958	0.9
108.08100	1.5
109.02869	0.7
110.06026	1.3
120.08099	0.6
121.02857	1.1
122.06027	1.9
131.04919	12.8
134.05977	1.5
136.04001	0.5
136.06577	1.0
136.07564	13.5
136.08594	0.7
137.07826	0.6
140.07123	0.6
147.04398	1.5
148.07556	1.0
149.02316	1.3
153.01814	8.9
160.07562	0.7
162.05452	5.8
163.03900	3.5
165.01836	3.5
168.02913	1.1
171.02879	0.9
175.03888	1.2
176.07068	2.3
178.05031	0.8
179.03409	0.6
183.02896	1.3
187.03900	0.8
189.01854	2.4
190.01248	1.4
190.05014	3.9
191.03377	10.2
193.04836	0.6
203.03394	4.3
204.02916	4.8
204.06538	11.3
205.01318	1.3
205.03221	0.8
205.04948	2.2
205.06735	1.1
206.04457	2.7
207.02875	1.8
208.05977	1.0
214.04938	1.5
215.03201	1.1
221.04407	2.0
222.07549	2.2
223.02332	2.5
232.06026	100.0
233.06366	4.1
234.03957	1.3
250.03450	0.9
250.04277	0.8
250.07050	8.8
251.06972	0.8
257.08063	26.2
258.08420	1.6
268.04504	1.0
269.07874	0.8
272.09103	1.1
293.08057	1.5
294.11316	2.3
295.09454	3.8
307.09665	5.2
308.09369	0.8
309.07401	1.1
309.10980	0.8
336.12265	58.5
337.06595	1.0
337.12851	3.4
338.10196	1.1
354.09573	0.6
354.13446	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	354.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51854	0.9
60.05642	3.6
65.03935	1.8
66.02433	0.8
68.99787	3.0
70.06585	3.5
71.42796	1.0
72.05608	1.6
77.03930	2.1
79.05489	2.0
82.06579	2.7
83.07355	9.5
84.04493	5.5
84.08133	2.3
91.02120	0.9
91.05465	2.0
93.03416	1.3
95.04967	6.2
103.05473	12.3
105.03388	42.2
105.04528	2.8
106.03749	1.6
107.04966	2.3
108.04479	1.3
109.02880	1.8
110.06027	1.9
114.60123	1.0
121.02897	2.0
123.00796	1.1
128.31531	1.0
129.03426	0.9
131.04927	33.6
131.05904	1.9
132.05257	1.2
133.02863	2.5
135.04352	2.3
138.05504	1.7
140.03400	1.4
147.04376	3.7
149.02328	1.5
154.04919	1.5
155.04865	1.2
161.02342	8.1
163.03905	8.9
165.01790	0.9
166.04922	1.0
168.02914	5.6
173.06033	5.9
177.01834	2.7
178.04973	1.3
179.03380	3.8
181.01381	1.0
185.00789	1.6
189.01802	5.5
190.05038	4.1
191.03391	30.0
203.03296	1.9
204.02916	1.8
204.06499	1.8
205.01344	7.6
206.04547	8.2
207.02863	8.3
209.04355	1.8
209.06104	1.1
221.04446	2.0
222.03952	2.2
222.07553	1.1
223.02367	13.0
232.02339	3.1
232.06042	1.2
233.00847	1.7
234.03937	12.4
238.18065	1.6
250.03526	5.3
250.07166	18.5
251.01808	1.0
251.07272	1.4
253.04951	1.3
254.05867	1.1
263.07007	2.7
268.04443	3.8
272.09238	6.3
273.05170	0.9
276.07672	1.4
277.08444	1.4
279.06592	4.8
280.06924	0.9
281.08054	1.9
282.05197	3.4
282.07819	1.2
283.06165	1.4
285.07578	1.2
291.06531	4.8
293.04599	2.1
293.08035	3.7
294.05075	1.2
294.11343	1.8
295.05969	8.6
295.09622	12.1
296.06760	3.5
297.07532	4.2
304.07175	4.8
305.07938	3.3
307.06012	55.8
307.09509	3.6
308.06329	3.2
308.09607	1.7
309.07541	52.8
310.07932	4.8
310.11121	1.0
311.09094	3.4
319.09833	1.1
320.09177	1.8
321.07465	12.3
321.10742	1.2
322.08356	45.3
323.08725	3.5
325.10693	5.5
336.08655	2.0
336.12234	9.1
337.06967	38.9
337.10696	93.4
338.07388	1.9
338.10568	18.2
354.09601	10.0
354.13370	100.0
355.13678	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	354.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.70076	0.4
60.05642	17.1
65.03926	2.2
67.05487	1.8
67.08164	0.4
68.99790	4.3
69.49194	0.5
70.06590	1.5
70.54755	0.6
72.05627	4.3
77.03925	1.1
79.05497	5.3
81.03403	0.7
82.06573	0.9
83.07344	2.9
84.08120	1.7
89.03893	1.0
91.05447	3.8
91.23748	0.5
93.03391	1.2
94.65920	0.5
95.04954	3.8
100.07578	0.5
103.05450	3.3
107.01279	0.7
107.04940	5.8
108.01669	0.5
109.02844	0.9
110.06023	1.7
121.02866	5.0
123.04497	0.8
124.07565	0.5
131.04912	9.4
135.04407	5.6
136.07498	0.5
137.02347	1.2
137.05974	1.1
137.07025	1.1
145.02795	0.9
146.05978	0.7
147.04384	12.3
147.53612	0.5
149.02324	1.8
154.04979	1.1
162.05551	0.8
163.03877	34.9
165.01831	0.8
167.03452	0.6
172.62498	0.5
173.02289	1.1
179.03317	0.6
180.02879	2.4
181.04938	1.3
185.00754	0.6
189.01756	0.5
190.04964	11.3
191.03363	100.0
192.03804	3.3
201.05402	0.9
204.06659	0.6
205.01294	0.8
205.03583	0.5
206.04445	1.6
207.02879	1.4
209.04443	4.8
214.06085	2.6
216.06532	0.9
222.03922	1.3
223.02399	3.8
232.02376	1.7
232.07068	1.3
233.00833	1.2
233.06755	1.6
234.03941	1.5
234.07565	5.9
238.18001	1.5
250.03346	1.6
250.08408	4.9
251.01825	0.5
251.07652	0.7
267.10144	0.8
268.04428	1.3
281.07980	0.6
293.08090	1.3
294.08267	0.4
294.11182	10.2
295.09595	56.1
296.09885	4.2
308.09210	1.0
309.07437	1.3
318.12289	2.3
336.08939	1.0
336.13223	2.9
337.13055	1.8
338.13766	3.5
354.09644	1.1
354.14236	12.2
354.20761	0.5
354.27332	1.3
355.12701	0.7
355.16559	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	354.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01872	1.9
57.39631	0.3
60.05646	14.7
64.37362	0.3
64.57008	0.3
65.03931	2.7
67.01874	0.3
67.05502	1.3
68.99780	3.3
69.03416	0.5
69.70869	0.8
70.06593	0.4
72.05247	0.3
72.05630	4.1
75.29652	0.3
77.03954	0.7
79.05490	4.9
79.58081	0.2
80.05023	0.5
81.03400	1.7
83.07339	0.5
84.04493	0.4
84.08131	0.8
86.85406	0.3
89.03905	0.8
91.05474	3.1
93.03397	1.7
95.01307	0.3
95.04956	3.8
98.06022	0.4
103.05464	8.2
104.04989	0.4
105.03382	0.4
105.04512	0.5
105.06998	0.4
107.04950	5.1
108.04475	1.0
109.02869	3.8
110.18623	0.3
111.04404	0.3
117.03381	1.0
118.71165	0.3
119.04926	0.3
121.02863	5.0
121.03836	0.5
122.06006	0.6
123.04417	0.7
126.05470	0.6
127.03888	1.8
131.04921	23.5
132.05252	1.1
133.02858	0.5
134.06039	0.4
135.04419	4.6
136.03874	0.4
137.02332	5.9
137.06004	0.7
137.07083	0.8
145.02832	0.7
146.05956	0.7
147.00761	0.4
147.04396	11.1
149.02336	1.3
150.01822	0.6
151.03870	1.1
154.04973	1.1
154.55449	0.3
159.00739	0.3
160.03940	0.8
161.02321	0.4
162.05472	0.4
163.03894	30.9
164.03273	0.5
164.04384	0.5
165.01797	2.0
166.05118	0.3
166.35791	0.4
167.03404	0.6
168.02861	0.4
169.01247	0.6
173.02383	1.4
176.03352	1.4
177.01773	1.4
177.03926	0.3
179.03403	0.8
180.02916	1.0
181.01268	0.4
181.04976	1.8
182.04456	1.4
189.01837	0.3
190.01349	0.5
190.04977	10.7
190.06650	0.6
191.03375	100.0
192.03723	3.5
194.04451	0.7
195.02953	1.7
201.05460	0.6
204.02885	1.7
204.07693	0.6
205.01331	2.8
206.04428	1.0
207.02692	0.6
207.07930	0.3
208.02420	0.4
209.04445	3.8
212.76410	0.3
214.06090	2.3
215.04449	0.4
222.03947	6.7
223.02361	4.9
232.02383	2.8
232.07150	2.3
233.00772	3.1
234.07593	2.9
235.07367	0.5
239.71898	0.3
240.04988	0.8
250.03502	3.5
250.08275	6.2
251.01735	1.5
252.08501	0.4
263.06958	0.9
267.06439	0.4
268.04578	2.6
275.07156	0.4
281.08051	3.5
283.09601	0.4
291.06497	2.2
293.07919	0.7
294.08582	0.3
294.11227	9.4
295.09616	48.0
296.10022	2.6
308.09152	3.4
309.07516	1.2
318.12430	2.6
326.10254	0.7
336.08557	1.1
336.13306	2.8
337.06992	0.8
337.13120	0.5
338.10114	0.4
338.13812	1.1
340.78268	0.3
354.09641	1.8
354.14374	8.7
354.27545	0.7
355.16559	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	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01874	7.1
57.03443	4.9
59.82982	0.7
61.02927	5.8
68.99778	2.6
69.03426	36.5
69.07042	0.8
71.01367	1.0
71.04991	4.1
71.08624	0.9
73.02921	6.0
81.03413	23.4
83.04992	1.0
85.02900	100.0
86.03228	0.8
87.00826	46.3
89.69380	0.7
91.03947	1.6
95.35100	0.8
97.02889	30.1
99.04438	12.6
101.02347	0.9
105.01862	68.0
108.04503	1.8
109.02872	27.0
115.03948	1.2
117.01871	2.1
119.04939	1.2
121.02900	5.5
121.03735	0.9
123.14750	0.7
126.05532	0.9
127.03906	66.8
129.01837	2.5
145.04944	32.5
147.02896	1.7
159.02864	12.4
163.36050	0.8
189.03984	3.0
192.07300	0.8
197.11626	0.9
201.05391	1.2
213.04016	1.9
218.05235	0.7
231.04967	19.1
239.07199	2.0
240.73260	0.8
249.06076	4.1
255.06548	1.5
257.04413	1.4
262.93039	0.9
283.99823	0.9
307.09262	0.8
311.09045	1.7
326.14090	3.8
328.80756	0.8
336.03519	3.8
337.02954	3.1
354.13599	2.7
355.11758	5.5
357.96167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01874	7.1
57.03443	4.9
59.82982	0.7
61.02927	5.8
68.99778	2.6
69.03426	36.5
69.07042	0.8
71.01367	1.0
71.04991	4.1
71.08624	0.9
73.02921	6.0
81.03413	23.4
83.04992	1.0
85.02900	100.0
86.03228	0.8
87.00826	46.3
89.69380	0.7
91.03947	1.6
95.35100	0.8
97.02889	30.1
99.04438	12.6
101.02347	0.9
105.01862	68.0
108.04503	1.8
109.02872	27.0
115.03948	1.2
117.01871	2.1
119.04939	1.2
121.02900	5.5
121.03735	0.9
123.14750	0.7
126.05532	0.9
127.03906	66.8
129.01837	2.5
145.04944	32.5
147.02896	1.7
159.02864	12.4
163.36050	0.8
189.03984	3.0
192.07300	0.8
197.11626	0.9
201.05391	1.2
213.04016	1.9
218.05235	0.7
231.04967	19.1
239.07199	2.0
240.73260	0.8
249.06076	4.1
255.06548	1.5
257.04413	1.4
262.93039	0.9
283.99823	0.9
307.09262	0.8
311.09045	1.7
326.14090	3.8
328.80756	0.8
336.03519	3.8
337.02954	3.1
354.13599	2.7
355.11758	5.5
357.96167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.05509	5.6
57.07063	1.2
58.06594	0.9
60.05649	2.4
65.03927	0.7
67.05502	12.5
68.05836	0.7
68.45887	0.3
68.99799	0.5
69.07068	6.2
69.53375	1.6
70.06592	14.7
71.08622	0.4
72.23707	0.3
74.06078	0.6
77.12477	0.3
79.05481	3.2
80.05812	0.6
81.07055	11.7
82.07389	1.0
83.08603	1.6
84.08115	0.4
86.06058	0.6
88.07626	19.2
91.05481	1.5
93.07030	2.0
94.07368	0.6
95.04956	0.9
95.08601	6.1
96.08932	1.0
100.07611	0.6
102.09171	4.5
103.05480	0.5
104.45238	0.4
105.07042	0.7
106.08668	8.3
107.04960	0.9
107.08573	0.8
108.08932	0.5
109.10156	2.0
118.08671	0.4
119.08565	0.6
121.02940	0.5
121.10119	0.6
122.10538	0.4
123.11702	0.5
131.04932	0.7
131.08537	0.4
132.08946	0.4
133.10107	0.5
134.10448	0.6
135.04424	0.7
135.11707	0.4
136.12036	0.6
137.28088	0.4
146.10461	0.7
147.04372	1.7
159.11743	0.5
163.03896	4.2
168.02934	0.5
173.13266	0.5
174.13528	0.4
190.05014	1.7
191.03384	13.1
192.03702	0.5
206.04364	0.4
208.02377	1.7
209.04408	1.2
213.94527	0.5
223.02274	0.5
238.17958	0.4
244.21379	0.7
250.08371	0.6
262.22510	2.2
268.00681	0.8
272.09094	0.8
294.07690	0.9
294.11246	1.3
295.09647	5.4
296.09869	0.6
307.05759	0.6
310.31070	0.6
322.38995	0.4
336.12695	0.5
336.32635	4.7
337.10681	0.7
337.32578	0.4
354.06049	0.5
354.14313	2.7
354.33640	100.0
355.14505	0.4
355.18506	0.8
355.33957	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	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03955	0.5
55.05259	0.4
55.05512	5.6
57.07066	0.4
58.06595	1.0
60.05646	3.7
62.06097	0.4
65.03942	1.3
67.05502	12.1
68.05016	0.5
68.99785	0.5
69.07066	6.6
70.06590	15.7
71.43074	0.3
72.05641	0.8
72.08142	0.5
74.06081	0.8
76.40824	0.3
79.05491	2.7
81.07053	8.6
83.08603	1.7
86.06065	0.6
88.07625	19.7
91.05494	0.4
93.07013	0.7
95.04959	1.2
95.08596	5.6
97.10150	0.6
98.53215	0.3
100.07612	0.9
102.09175	4.2
106.08664	8.9
107.04959	1.3
107.08578	0.4
109.10185	1.5
117.39962	0.3
121.02872	1.4
121.10028	0.3
131.04929	1.2
135.04405	1.1
147.04419	3.4
154.04990	0.3
155.32246	0.3
163.03902	7.2
164.04369	0.4
168.02841	0.7
190.05016	2.2
191.03378	21.0
192.03763	1.2
206.04488	1.0
208.02432	0.3
209.04471	1.4
214.06108	0.6
223.02455	0.7
232.02429	0.5
238.18040	0.6
250.08186	1.3
268.04517	0.4
292.30487	0.3
294.11252	1.9
295.09610	9.7
296.09955	1.0
307.05838	0.5
310.30945	0.8
313.33517	0.3
336.32635	5.3
337.10684	0.7
337.32693	0.6
354.14371	4.3
354.33640	100.0
355.14603	0.4
355.33990	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	12.2
58.99582	5.3
59.01364	1.5
61.01131	1.7
63.66319	0.7
65.08357	0.6
67.01866	0.8
67.05500	0.9
68.65128	0.7
68.99785	0.8
69.26579	2.7
74.63029	0.7
74.99059	1.2
75.04477	44.1
76.04810	0.9
79.05478	0.8
81.07047	0.9
84.97492	1.6
85.02895	7.6
86.99056	8.3
88.46541	0.7
89.00613	36.9
90.36599	0.7
91.05482	3.1
92.05816	2.2
95.08601	1.5
98.23444	1.2
101.02380	0.9
101.05343	1.5
101.06013	30.5
103.03944	7.1
107.01648	14.2
113.02359	28.3
115.97505	0.7
116.87217	0.8
117.00071	100.0
117.05480	1.2
117.95426	0.9
118.96223	30.4
119.01624	1.6
119.03383	1.0
121.02838	5.2
127.01543	1.0
132.97777	2.7
137.06023	0.9
144.99541	10.6
145.04958	25.5
147.01111	1.2
149.02679	33.6
150.02989	0.7
157.10097	0.8
158.99414	1.1
160.97255	12.5
167.03288	0.7
170.95700	1.0
174.98891	1.0
177.02148	13.1
178.24664	0.7
186.98781	1.2
202.98383	4.4
206.28366	0.7
230.97850	2.2
247.06119	1.0
248.98891	3.7
263.00415	95.9
264.00723	2.9
281.01474	26.8
282.01703	1.0
293.11777	0.9
311.12634	1.3
327.12317	1.7
355.11627	9.7
355.15240	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41513	0.5
69.67123	1.0
69.67516	1.0
74.42043	0.5
92.53264	0.5
119.11445	0.4
149.15710	0.4
177.01572	1.3
184.13368	0.9
185.04193	2.9
185.97249	0.4
192.03922	14.2
193.04715	8.7
196.43927	0.5
208.13231	0.4
242.61424	0.5
285.00833	0.6
323.07260	0.5
324.08099	3.3
325.08624	1.1
343.35065	0.5
354.27548	1.7
355.09967	100.0
356.10410	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	MLS001143540
Peak:m/z	Relative Intensity
55.05513	1.1
55.80564	0.9
65.03918	1.9
66.92847	1.0
67.01863	22.6
67.05502	1.8
67.69505	1.1
68.99787	5.7
70.24988	2.0
79.05483	2.6
81.07056	2.6
88.33443	0.9
91.05473	3.7
92.04195	0.8
93.07032	1.4
95.04954	2.6
95.08598	7.4
98.23365	1.2
105.06986	1.7
107.04944	3.1
107.08569	1.6
109.06505	1.1
111.04436	2.0
115.41308	0.9
117.06995	1.6
119.04938	4.5
119.08545	3.0
121.02859	66.9
121.06438	1.0
122.03212	2.0
130.07310	0.9
131.04936	4.1
141.07007	1.0
145.02843	13.8
145.06476	3.0
147.04410	1.9
147.08032	3.3
149.02382	1.7
151.03876	3.2
163.03909	17.4
163.07526	1.0
167.03407	2.0
169.06580	1.2
173.05928	3.0
175.07510	6.4
185.06027	1.2
187.03873	8.1
191.07045	2.4
193.08649	1.3
197.05948	2.4
201.05476	1.9
209.08083	1.2
211.03865	3.1
217.04851	1.5
227.07082	6.0
229.04959	5.3
230.05569	1.1
239.07030	5.7
241.08659	1.1
247.06017	38.4
248.06363	1.4
251.06993	1.5
255.06461	3.1
265.04987	2.6
267.06512	5.2
268.07233	1.0
269.08075	1.9
271.06165	2.6
271.40717	1.1
275.09024	1.6
277.08560	9.8
278.09232	1.0
281.11670	5.5
291.10120	3.7
293.11697	12.8
294.11816	1.1
309.11179	5.6
311.12735	46.6
312.13101	2.8
319.09686	3.5
355.11734	100.0
356.12048	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	355.1174
Annotation	3',4'-Dihydrooxepino-6'-hydroxybutein
Peak:m/z	Relative Intensity
53.03937	1.1
55.01862	1.2
55.05490	2.2
61.65578	0.6
65.03928	1.7
67.05500	5.3
68.99776	3.0
69.03428	1.2
69.67541	2.2
76.16977	0.5
79.01805	1.0
79.05506	2.6
81.00614	0.5
81.03398	1.1
81.07047	3.8
84.25284	0.6
87.95361	0.6
91.05473	5.3
93.03410	0.6
93.07041	1.4
95.04958	1.6
95.08601	9.6
96.08913	0.5
98.23431	0.6
105.03333	1.0
105.07011	2.3
107.01315	2.2
107.04951	1.8
107.08604	1.7
109.02857	1.4
110.44217	0.6
111.04436	0.9
115.05461	1.3
117.06999	4.7
119.04928	5.6
119.08549	3.6
121.02856	42.4
121.03796	1.4
121.06451	0.6
123.04401	1.8
123.08049	2.3
127.03905	0.6
129.07018	0.8
130.41136	0.5
131.04900	1.1
133.02853	0.7
133.06456	0.8
135.08032	0.9
137.02303	0.8
141.06967	1.0
145.02834	5.7
145.06439	3.7
147.04384	3.1
147.08064	3.0
149.02275	3.0
149.40102	0.5
151.03886	4.4
155.03479	0.6
155.04832	0.7
163.03896	4.0
167.03368	1.7
169.04980	2.5
169.06491	2.6
173.05975	4.2
175.03951	1.0
175.07536	1.8
181.06438	1.1
191.07010	3.7
193.08534	2.8
197.05923	7.1
199.07613	0.9
209.08105	3.2
211.07562	0.5
211.09561	0.6
213.05444	1.1
217.05061	1.4
219.06514	1.4
221.09557	0.8
223.07475	0.8
225.05391	1.4
226.06207	0.9
227.06996	4.4
229.04945	2.5
239.06940	6.3
241.04878	1.1
241.08681	1.1
242.05777	0.9
243.06490	1.6
245.09689	1.2
251.07018	1.9
252.07741	0.9
253.04936	1.9
253.08510	0.9
255.06483	5.2
265.04916	1.2
265.08585	2.4
267.06525	10.5
267.09695	0.8
268.07098	1.0
269.08041	10.9
271.06003	6.0
276.07779	1.5
277.08536	11.2
278.09189	0.7
281.08215	1.4
281.11679	2.2
282.08942	1.3
283.13187	1.5
291.10156	7.3
293.11676	21.8
294.12057	1.7
309.11163	12.7
310.11777	1.0
311.12686	9.9
312.12955	1.1
319.09680	3.1
327.12177	2.5
337.10730	1.4
355.11716	100.0
356.12100	8.3
364.21539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
61.42107	0.6
67.01828	1.6
67.05466	0.6
68.99749	0.7
69.03413	1.1
69.30702	2.3
91.05441	1.1
93.06989	0.6
95.04932	1.5
95.08603	0.9
97.06477	0.7
105.07010	1.0
107.04910	1.7
111.00795	1.0
117.06956	1.4
119.04922	4.0
121.02860	20.9
121.06445	0.9
131.04887	0.6
135.07971	0.7
145.02780	2.6
145.06412	1.7
146.43430	0.6
147.07988	1.0
149.02327	1.1
149.05933	2.0
161.05975	0.7
163.03865	3.0
163.07487	1.0
167.03369	0.7
169.62047	0.6
173.05969	2.1
181.08549	1.2
187.03868	1.5
191.06978	2.5
201.05435	1.1
209.08083	0.6
215.06955	0.6
227.06993	1.0
229.04926	7.9
239.07036	17.6
240.07564	1.3
240.09775	0.6
251.06944	0.9
252.07777	1.4
253.08481	1.2
255.06512	4.3
257.08090	4.4
263.10193	0.5
265.08685	1.0
267.06506	7.1
267.10089	2.3
268.07147	1.8
269.07950	0.6
276.07690	3.5
279.10196	1.6
281.08545	0.9
281.11700	5.3
283.09637	2.9
291.10162	8.9
293.08374	1.3
309.11142	8.6
325.78741	0.5
327.12241	100.0
328.12570	8.8
337.10388	0.7
355.11734	72.1
356.12054	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	355.1176
Annotation	3,4-Dihydro-3,5-dihydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
54.75194	0.5
55.05505	0.6
67.01852	0.6
67.05493	0.7
68.99783	0.5
70.00814	1.0
70.01181	0.8
73.80919	0.5
76.20193	0.4
77.03919	0.5
79.05474	0.5
91.05446	0.9
100.04905	0.5
105.03369	1.5
105.06995	0.8
107.04868	0.5
115.05443	0.6
117.07025	0.6
119.04886	0.7
121.02858	6.8
127.05458	0.5
133.02829	1.7
145.02872	1.1
146.33545	0.4
150.99092	0.4
151.02666	0.8
151.03899	15.1
152.04260	0.8
152.06186	1.4
153.06961	1.3
155.04901	1.4
163.03998	0.4
173.05939	0.4
175.07492	0.9
181.06468	7.3
191.07086	0.6
201.05423	1.4
207.86761	0.4
209.06009	4.6
211.03906	0.7
223.07516	4.9
234.36349	0.5
237.05466	8.5
238.06128	1.1
239.06992	1.4
247.05916	0.8
251.07034	14.5
252.07661	1.3
255.06284	2.3
265.04947	100.0
266.05313	5.4
267.06458	2.1
270.05286	0.5
276.07867	0.9
277.08582	8.8
278.09247	1.1
291.10107	1.5
293.11685	17.2
294.11996	0.5
301.08475	0.7
309.11224	1.1
311.12686	1.7
314.24930	0.5
319.09616	2.9
323.05527	1.1
323.08954	0.6
337.10678	3.1
354.23090	0.8
355.11731	26.6
355.23563	2.8
356.12143	2.5
368.17844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1173
Annotation	Viridiol
Peak:m/z	Relative Intensity
68.99787	1.0
70.69445	0.8
79.05505	0.5
89.42680	0.5
91.05476	2.4
95.04957	1.0
95.08585	0.9
97.02911	0.6
97.06542	0.6
105.06998	0.8
107.04941	1.1
117.07017	1.8
119.04903	2.4
121.02858	13.9
121.03790	0.7
121.06499	1.0
123.08071	1.2
131.04889	0.7
135.04358	0.6
135.08051	0.9
137.02332	0.8
140.23590	0.5
145.02840	1.5
145.06523	2.6
147.04425	2.1
147.08136	0.6
149.02296	1.0
149.06042	0.8
163.03915	2.3
163.07570	1.2
165.05420	3.0
173.05910	3.1
179.43059	0.5
191.06972	3.5
193.04993	1.2
201.05363	3.2
202.06268	1.5
209.08142	0.7
211.07451	0.9
219.06482	2.4
229.04993	2.4
239.06998	16.4
240.07353	1.3
251.06902	0.7
252.07817	2.3
253.08524	1.4
254.05652	1.1
255.06497	9.7
257.04462	2.2
257.08038	1.5
258.05179	0.9
265.08588	3.3
266.09198	0.8
267.06473	5.1
267.10068	2.6
268.07254	4.3
276.07767	1.6
279.06628	0.8
279.10156	1.5
280.07239	0.7
280.10840	1.1
281.08090	4.1
281.11679	5.8
283.06335	1.6
283.09610	43.9
284.09940	2.0
291.10098	5.4
293.08081	3.0
295.09409	1.0
309.11154	10.8
311.09091	48.8
312.09451	4.0
319.09644	4.9
327.12231	18.1
327.16138	1.0
328.12692	0.8
337.10660	28.1
338.11047	1.9
355.11722	100.0
356.11963	7.0
356.15393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.01870	7.1
55.05499	1.9
56.67327	0.5
57.59616	0.5
65.03941	1.4
66.92796	0.6
67.05487	2.5
68.05023	0.9
68.99789	4.0
69.01104	0.6
69.32068	3.0
69.32433	1.1
70.06579	1.9
72.05642	1.6
72.08167	0.8
72.50541	0.6
77.03902	0.8
79.05482	2.3
80.05009	1.3
81.03412	9.7
82.06557	1.1
83.04976	10.8
84.08144	1.5
85.02906	0.6
86.16231	0.6
91.05473	3.0
93.03401	1.4
94.06538	1.9
95.04982	2.9
98.07178	1.6
98.22687	1.2
99.04452	3.3
100.07612	2.5
103.05461	7.5
105.03380	3.1
105.07025	9.4
107.04964	2.7
108.04479	2.6
109.02871	5.5
109.05231	0.9
110.06047	1.8
110.09693	0.6
111.04435	4.7
115.05418	0.8
119.04946	1.8
121.02876	2.2
122.06004	3.9
123.04430	3.1
126.01852	2.4
127.03916	2.0
131.04932	18.4
132.04416	1.3
132.05273	2.6
133.02805	3.3
135.04366	1.1
136.03929	2.6
137.02332	9.8
137.05957	1.9
138.05493	1.3
141.07008	0.7
145.02879	1.1
147.04393	2.1
149.02354	1.0
150.05499	9.1
151.03871	3.4
160.03984	0.9
161.02321	1.2
163.03886	1.6
164.03427	12.2
165.01833	1.3
165.05444	0.9
166.05029	0.8
168.02904	1.8
169.01256	0.9
169.04991	0.7
169.06487	1.5
171.14941	0.7
173.05980	1.4
175.03896	1.7
177.01851	1.2
177.05431	1.0
178.04982	19.4
179.03412	8.7
179.05145	0.8
180.07861	0.7
181.01323	0.9
181.04922	0.8
182.04488	1.7
183.02881	1.4
188.03404	1.1
190.01451	1.5
191.01741	1.8
192.02794	3.8
195.02808	3.1
196.06003	0.9
197.04456	3.3
201.05472	4.0
201.09093	0.9
205.01393	1.4
205.03596	1.9
206.04477	100.0
207.02876	3.3
207.04846	3.7
210.03954	5.3
216.02951	2.1
222.18613	0.6
223.02396	2.3
223.04463	0.7
223.18808	0.8
224.03346	0.8
224.05522	7.7
225.03806	1.6
230.08066	0.9
233.00743	0.9
233.02924	0.7
233.05612	1.1
234.03963	53.8
235.04306	1.7
236.05518	1.2
238.18094	1.8
241.03387	1.7
244.80415	0.6
250.03462	0.9
251.01845	17.5
251.06560	10.5
252.02534	0.7
252.04893	1.5
252.07335	1.2
252.09749	5.9
257.04425	1.0
262.06375	0.8
265.08386	0.8
268.09634	1.9
269.02869	7.8
269.07999	0.7
277.08725	1.0
279.10178	2.7
281.08130	0.9
293.08102	1.2
296.09674	0.8
309.07407	0.8
310.07193	1.4
310.10715	25.3
311.11203	1.2
323.09128	1.0
337.11731	1.5
338.10175	30.6
339.10349	2.0
343.64139	0.6
355.08267	0.6
355.12988	5.3
355.20071	2.1
355.27716	1.6
356.11597	0.9
356.15869	3.9
356.28961	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	2.7
56.73798	1.7
68.05023	2.2
68.99805	3.3
69.04558	4.4
70.65165	2.9
76.07198	2.2
79.05492	2.5
80.05000	4.0
80.07725	1.9
81.04539	75.3
82.05331	5.0
91.05442	4.2
93.04530	2.1
95.06062	3.3
100.07600	10.8
103.05468	42.1
105.03370	3.2
105.04517	2.6
106.05333	7.9
106.06573	3.3
107.04945	2.4
107.06075	18.1
109.02898	3.4
109.03999	52.3
110.06038	3.5
113.03525	2.9
119.04971	2.0
119.06078	10.6
121.03992	9.6
123.05540	2.4
131.04938	100.0
131.06036	20.1
132.04433	6.0
132.05309	3.6
133.03957	3.5
133.07590	12.7
134.04762	11.6
135.05534	22.8
137.02357	4.1
137.06017	5.2
137.07091	4.7
147.04437	4.2
147.05493	22.6
149.07118	2.9
151.03925	2.4
151.04993	10.1
153.01823	7.0
159.05537	35.1
161.03468	5.1
161.07111	33.5
163.05020	15.0
163.08733	9.5
165.01834	3.6
165.06630	6.2
173.05914	5.1
177.06641	12.3
178.05055	3.1
186.14902	2.6
187.03374	2.4
187.05037	50.1
187.06624	3.9
188.05402	2.5
189.03026	10.0
189.06612	33.0
191.04538	7.2
193.04921	2.3
194.10426	3.4
197.53574	2.0
201.05539	5.2
205.06189	36.5
206.04478	4.2
207.07684	6.6
215.04521	79.3
215.06586	4.3
216.04822	4.0
217.57639	2.0
233.05579	85.7
234.05873	2.4
240.19724	3.0
245.10863	3.8
246.24919	1.9
249.10158	3.7
251.06638	13.1
258.89493	1.8
263.06775	1.8
263.11737	2.6
273.10056	4.8
277.09732	2.4
291.11285	40.0
293.12891	12.8
310.10541	3.1
319.10773	38.3
320.11038	3.8
337.11819	58.2
338.12234	3.4
356.29056	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	355.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.0
60.05629	1.6
65.03947	0.7
67.05491	0.8
68.05013	1.0
68.99796	1.7
69.25494	4.2
70.06565	0.9
74.09719	0.8
79.05476	1.4
80.04999	1.2
81.03407	1.6
82.06548	1.1
83.04978	1.4
83.97737	0.7
84.04509	1.6
88.17069	0.7
91.05454	2.1
93.03397	1.2
94.06554	1.1
95.04955	2.5
100.07645	1.3
103.05476	6.1
104.05869	0.7
105.03394	2.6
105.07036	0.7
107.04945	1.5
108.04463	2.9
109.02861	4.5
110.06039	1.6
111.04409	1.6
119.04961	0.7
121.02872	2.2
121.71075	0.7
122.06008	2.8
123.04379	3.7
126.01869	1.9
131.04924	17.3
132.05241	1.9
133.02838	3.5
136.03932	2.2
137.05960	1.8
138.05516	0.8
140.03439	1.3
147.04434	1.2
148.04703	0.8
150.05487	7.7
151.03920	1.4
155.03441	0.8
160.03923	1.3
161.02333	1.1
163.03915	3.1
164.03363	12.5
164.07129	0.7
165.01846	1.8
168.02913	11.7
175.03946	0.8
178.02521	1.0
178.04980	22.8
179.03389	6.5
181.01277	2.1
182.04504	1.9
183.02898	1.0
188.03575	1.1
188.07094	0.9
189.01785	1.3
190.05046	1.5
191.03404	5.9
192.03687	4.5
199.02397	1.7
201.05449	1.8
203.03319	0.9
204.03743	1.3
205.01263	0.9
206.04477	100.0
207.02901	39.4
207.04779	3.9
208.61482	0.8
209.04353	1.2
210.03951	5.5
211.02344	1.3
216.02925	2.3
223.02412	2.3
224.03038	1.6
224.05534	7.4
225.03943	2.3
230.08083	1.3
233.05638	1.1
234.03964	58.5
234.07661	1.9
235.00146	1.3
235.02357	16.1
235.04311	2.0
235.06120	1.5
236.05685	0.9
247.07646	1.2
250.06938	0.9
251.06621	9.3
252.04991	12.1
252.09019	0.8
253.03424	2.5
264.48383	0.7
268.09763	2.4
269.08008	0.8
272.09167	11.7
294.08667	0.8
295.09344	0.9
296.09964	4.0
305.07996	1.5
308.10089	3.9
310.07126	1.4
310.10724	27.9
311.08820	7.2
312.58575	0.7
327.12277	1.5
337.12439	3.3
338.10214	33.0
338.14288	1.7
339.08371	6.5
353.64655	0.7
355.08420	0.7
355.13052	7.0
356.11066	4.1
356.15149	4.8
356.29135	1.4
374.12729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.6
56.05030	3.0
60.05604	0.8
61.31159	0.5
67.05473	0.5
68.04986	1.3
68.99763	1.5
70.06560	1.2
71.42630	0.7
77.03931	0.6
79.05444	0.8
80.04999	0.7
81.03339	0.6
82.06523	2.1
82.80317	0.5
83.01311	1.3
83.07335	0.7
84.04500	24.6
84.08115	1.2
86.06018	0.9
91.05451	1.1
92.04953	0.7
93.03348	0.7
95.01306	0.9
95.04922	1.2
96.04456	1.1
98.06055	0.9
103.05462	7.9
104.04962	1.2
104.05782	0.6
105.03394	7.1
105.06988	1.6
105.78334	0.6
106.03692	3.1
107.04908	0.7
108.04466	3.4
109.02859	0.7
110.06023	6.2
118.95789	0.6
119.04910	0.7
120.04434	1.4
121.02808	1.3
121.06436	0.5
122.02380	1.2
122.06011	1.2
123.00769	5.5
124.03934	0.8
126.05440	1.5
131.04918	20.7
132.04411	4.8
132.05243	0.9
134.05951	0.6
136.03909	2.7
137.05962	1.2
138.01837	0.6
138.05505	5.8
139.00233	0.8
140.03383	1.7
147.04343	1.0
148.03929	0.9
149.02292	1.0
150.05492	1.2
151.00261	4.0
160.03914	5.2
161.02228	1.6
162.02655	1.3
163.03841	0.9
164.03357	1.7
166.04968	3.8
168.01555	0.9
168.02917	15.2
169.01329	5.6
172.03835	0.7
178.01309	0.6
178.04990	4.8
179.03308	1.6
180.02785	0.9
181.01308	6.2
182.04320	0.6
182.30309	0.6
183.02954	0.7
186.03952	0.5
188.03404	9.0
189.01817	1.5
189.03581	0.5
189.05399	0.7
191.03329	1.1
192.03737	1.1
193.01266	0.8
199.02376	3.4
201.05421	1.2
205.01527	0.7
206.04465	34.7
207.02963	5.0
207.04802	1.2
208.03177	0.6
209.04457	0.7
211.02373	0.6
216.02927	1.3
223.02321	0.8
224.02776	1.1
224.05566	0.7
234.03952	72.9
235.02209	1.1
235.04243	1.6
235.06143	6.4
236.05515	1.3
250.07037	0.8
251.01839	0.7
251.07170	1.6
252.04982	2.5
252.08746	2.2
253.34245	0.5
264.07272	0.7
272.09149	13.4
276.31223	0.6
280.06808	0.7
283.05551	0.7
285.07339	0.7
292.06741	0.7
292.09760	0.6
294.08536	0.6
296.06470	1.1
296.09662	1.7
297.07367	0.6
305.07791	1.0
308.06314	7.0
309.07367	1.6
310.07809	11.1
310.10901	1.5
311.08511	1.5
320.08969	0.6
321.11270	0.7
322.07779	2.7
323.08633	6.1
326.10953	0.7
337.12378	0.5
338.10330	100.0
339.10516	6.1
355.13541	13.4
356.10788	1.3
356.14908	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
55.01855	2.2
55.05257	4.7
55.05510	41.4
57.03427	9.2
57.07073	13.1
57.37112	2.0
57.45788	2.2
65.03970	2.5
67.05502	72.7
68.05840	2.7
69.07068	37.6
69.70670	7.5
70.06592	5.1
71.04983	2.8
71.08626	3.5
79.05487	24.9
81.07055	100.0
82.07414	2.9
83.04973	2.9
83.08614	32.9
85.06542	3.2
85.10185	2.9
88.07626	5.1
91.05473	23.0
93.07048	28.9
95.04947	3.0
95.08601	79.7
97.06526	7.6
97.10169	22.6
98.22744	4.2
99.08104	3.7
105.07030	15.0
107.08589	18.4
109.10154	37.2
111.08076	3.8
113.09651	3.7
119.08587	16.5
121.10149	26.6
123.11710	21.4
131.04901	4.8
133.10120	20.0
135.11647	16.9
137.09589	3.0
137.13260	9.8
147.11684	12.9
149.13225	11.7
150.27191	2.5
151.11275	2.1
151.14812	6.2
161.13287	13.7
163.03883	2.5
163.14821	11.5
165.16417	7.0
175.14822	11.2
177.16325	2.4
179.17958	4.9
189.16377	6.7
191.03377	8.5
192.03703	10.8
199.64757	2.2
207.03104	2.4
245.22615	44.6
246.23018	3.3
260.17755	2.4
263.23727	43.3
264.24115	3.0
296.09967	7.3
337.27362	23.6
338.34131	2.8
355.14471	4.0
355.28207	7.7
355.33868	2.5
356.14783	3.0
356.28769	3.3
356.35233	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	40.3
57.03421	5.2
57.07073	17.3
60.05638	2.9
65.03948	3.3
67.05499	71.9
68.99811	2.1
69.07064	41.6
69.36919	9.3
69.68181	2.1
70.06590	14.5
71.08619	7.2
79.05491	30.8
81.07052	100.0
81.47320	2.3
82.07410	2.5
83.04984	2.8
83.08611	31.8
84.08112	2.0
85.10186	7.7
88.07626	15.7
91.05470	19.6
93.07041	32.3
95.04956	4.0
95.08602	79.5
97.06522	9.2
97.10155	24.9
99.08115	5.7
100.07566	2.4
102.09181	3.2
105.04518	2.2
105.07034	15.6
106.08675	7.6
106.67270	2.4
107.08588	21.9
109.06489	2.1
109.10146	45.2
111.08086	3.9
111.11720	8.2
113.09647	5.8
119.07791	3.3
119.08557	16.3
121.10126	32.0
123.11705	26.8
125.13241	3.1
131.04927	5.0
133.10106	21.5
135.11655	16.2
137.13228	7.9
138.05392	2.3
138.84639	2.1
146.19414	2.1
147.04410	2.5
147.11688	19.0
149.13252	18.5
151.14862	3.7
153.12752	3.1
154.24280	2.2
161.13280	17.5
163.03873	4.0
163.14836	16.2
164.04257	4.3
165.12749	2.5
165.16417	7.5
167.14346	2.6
168.03032	3.8
173.65504	1.9
175.14821	10.8
177.16461	2.8
179.14394	3.1
179.17966	5.0
181.15842	3.0
189.16426	6.6
191.03406	13.6
192.03709	14.6
206.04398	2.2
227.77545	2.3
238.26326	2.0
245.22614	46.3
246.22974	4.2
251.08517	2.2
253.43037	2.2
263.23691	49.3
264.24185	5.8
265.25528	2.7
281.24805	3.1
296.09946	11.9
311.30624	2.1
321.38861	2.0
337.27338	21.9
338.34082	5.0
355.14914	6.5
355.28329	9.4
355.33850	3.5
356.11130	3.1
356.14972	6.6
356.28461	4.7
356.35190	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03941	2.4
55.01868	3.9
55.05265	2.6
55.05512	37.5
57.03433	9.2
57.07072	11.8
67.05502	72.3
69.06715	2.6
69.07069	44.6
69.73295	7.6
70.06611	2.4
71.08634	3.4
79.05474	22.5
80.05817	2.1
81.07056	100.0
83.04957	2.7
83.08613	32.9
85.06556	2.4
85.10166	4.1
88.07645	2.5
91.05484	19.8
93.07043	30.1
95.04932	4.8
95.08603	78.4
96.08929	2.0
97.06527	8.2
97.10176	17.1
99.08064	4.6
105.07037	22.9
107.08585	22.9
109.10147	42.5
111.08060	3.4
111.11694	5.1
113.09631	2.8
115.07573	1.9
119.08576	22.9
121.10142	27.4
123.11693	19.3
125.09609	3.5
129.05458	3.6
133.10106	17.9
135.11687	18.3
137.09572	2.8
137.13214	10.0
139.11084	2.3
143.08557	4.5
145.10081	3.3
147.11700	13.7
149.13234	13.3
151.11121	2.5
151.14821	5.8
155.08575	2.0
157.10188	2.4
161.13269	18.1
163.14796	11.0
165.16367	5.5
175.14818	8.4
179.17947	3.1
183.11769	2.0
189.16299	5.5
193.10184	2.4
203.17996	3.0
207.40585	2.2
245.22639	43.8
246.22917	2.6
263.23697	43.4
264.24008	2.3
283.14767	2.1
299.17935	3.2
325.19632	3.0
337.27383	23.0
355.24109	23.7
355.28864	13.9
355.33475	17.1
356.24619	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	355.2993
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
53.03936	2.5
55.05507	32.4
55.68799	2.3
57.03436	5.3
57.07077	22.7
57.33134	1.9
59.04988	3.1
67.05499	45.4
69.07058	35.9
69.19392	4.6
69.19801	7.8
70.06593	10.9
71.05008	3.5
71.08627	25.5
79.05489	23.4
81.07051	100.0
83.08611	18.0
85.10181	13.5
88.07611	13.6
91.05469	19.0
93.07037	52.2
95.04995	8.0
95.08597	84.0
95.09216	3.3
97.06546	7.8
97.10158	14.3
99.08143	2.6
102.09210	4.8
105.07020	34.5
105.42648	2.1
106.08679	5.7
107.08580	47.2
107.09236	3.3
109.10144	46.2
109.10879	2.4
111.08112	5.8
111.11734	4.8
115.05453	2.2
117.07040	4.1
119.08590	34.6
121.10137	33.1
123.08083	5.7
123.11703	19.4
125.09653	2.5
128.86749	2.1
131.08569	15.4
133.10107	26.9
135.11685	22.4
137.09625	5.0
137.13301	6.1
138.16467	2.5
142.93863	15.5
143.08586	9.8
145.10109	25.3
147.11678	22.9
149.13243	21.7
151.11203	4.1
151.14824	2.4
155.14293	11.6
157.10091	10.9
159.11661	23.2
159.12718	2.1
161.13245	23.6
161.14317	2.6
163.14790	13.7
171.11713	7.4
173.13266	15.1
175.11368	2.4
175.14822	12.8
177.16423	5.0
179.14345	3.2
183.11696	3.5
185.13292	6.6
187.14777	10.4
189.16464	7.9
191.18018	3.6
193.15857	2.5
197.13338	2.2
199.14827	6.6
201.16437	8.7
203.14546	2.5
203.18004	6.8
211.14897	3.4
213.16446	7.6
215.18037	9.2
217.19550	4.2
225.16400	2.1
227.18013	8.2
229.19603	4.9
231.21211	6.6
235.24294	2.7
241.19606	5.0
243.21204	2.8
245.22649	3.4
253.19559	4.2
253.25227	3.2
255.21217	6.4
257.22729	4.2
263.23990	4.4
269.22665	5.3
277.42053	2.1
281.22513	5.2
281.25238	3.2
297.25644	4.2
327.30609	2.9
337.28897	28.0
338.34415	7.6
345.43607	2.0
355.11069	4.8
355.15189	70.5
355.29947	89.3
356.15588	4.4
356.30630	6.7
356.35159	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.1
55.05502	13.8
57.07076	1.9
63.97615	1.8
65.03939	2.4
67.05500	26.7
69.07060	19.5
79.05484	23.1
81.07051	87.9
83.04971	2.0
83.08612	8.7
91.05477	17.0
93.07040	43.7
95.04948	11.7
95.08598	63.8
97.06493	2.4
97.10152	7.3
105.07024	38.2
107.08582	45.6
109.06519	5.2
109.10155	35.4
111.08083	2.2
111.11687	2.9
117.06985	4.4
119.08572	38.2
121.10124	31.6
123.08105	3.4
123.09068	1.6
123.11714	15.1
129.07016	2.6
131.08575	13.5
133.10117	22.1
135.11687	24.1
137.09584	1.7
137.13231	2.7
143.08548	6.4
145.10112	22.4
147.11674	22.0
149.13239	23.3
151.14702	2.2
157.10080	9.0
159.11671	26.9
161.13246	21.6
163.11130	2.7
163.14801	16.5
167.28838	1.6
171.11681	8.0
173.13263	14.7
175.14807	10.7
177.16391	5.9
182.02020	1.7
185.13277	8.2
187.14821	14.7
189.16370	10.7
191.14374	2.5
197.13161	3.8
199.14874	8.0
201.16437	9.3
203.17990	7.5
211.14830	3.1
213.16412	8.7
215.17967	11.9
217.19499	5.9
227.17970	7.0
229.19536	7.2
231.21126	3.4
241.19479	6.5
243.21068	2.2
244.29980	1.8
245.18965	4.0
255.21080	4.4
257.22629	3.2
259.20639	2.6
267.21088	2.9
269.22620	4.9
273.22098	2.5
281.22656	6.7
295.24408	2.0
297.25674	5.4
299.23492	2.1
337.28845	26.7
338.29581	2.4
355.29913	100.0
356.30298	7.4
356.35150	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	355.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20471	2.0
55.05505	34.9
57.07068	4.5
59.22104	1.9
59.29428	2.4
67.05499	40.1
69.03423	3.9
69.07063	35.8
69.72590	8.3
71.04971	3.9
76.06532	2.3
77.03919	2.2
78.60831	2.1
79.05487	28.4
81.07049	100.0
82.07378	3.2
83.04965	4.5
83.08614	10.4
83.59277	2.4
91.05476	26.0
93.07038	66.8
95.04966	9.2
95.08599	88.8
97.06539	3.7
97.10186	5.5
105.07025	59.7
105.07745	3.6
107.08582	90.2
108.08887	2.9
109.06548	6.2
109.10147	58.5
110.10448	3.2
111.08047	3.9
117.07022	7.8
119.06145	2.2
119.08572	72.8
121.06487	2.5
121.10139	60.4
122.10524	2.8
123.08028	2.2
123.11704	28.7
125.09608	3.9
125.13197	2.6
131.08562	15.5
133.10123	46.8
133.88199	2.4
135.08043	3.1
135.11679	41.3
135.12650	3.1
137.13264	8.9
139.11182	4.5
142.07765	3.1
143.08572	7.7
145.10110	27.3
147.11671	40.7
149.13242	33.3
151.11166	2.8
151.14801	2.4
157.10110	13.8
159.11681	33.7
161.13206	29.7
163.11159	3.0
163.14787	12.3
169.10208	3.6
171.11711	8.9
173.13258	23.1
175.14812	14.5
177.16425	8.5
183.11668	4.2
185.13269	9.8
187.14787	14.9
188.15251	2.6
189.16400	18.7
191.17928	5.2
199.14836	8.2
201.16379	20.0
203.17946	19.3
205.15793	2.6
211.14764	3.6
213.16414	9.7
215.17912	17.6
217.15924	2.7
217.19505	4.4
219.17604	2.8
225.16409	2.6
227.18059	4.2
229.19550	5.8
231.17528	3.7
239.17998	2.7
241.19449	5.2
243.21158	4.1
253.19441	2.9
255.21178	5.2
257.22629	22.2
267.21182	3.1
271.24274	5.2
273.22055	2.8
281.22672	5.7
297.25897	3.0
299.23584	3.1
309.14493	2.1
337.28854	21.4
355.29935	96.9
356.30273	8.0
356.35214	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	355.2992
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
53.03939	1.5
55.05513	10.7
57.07067	4.0
63.81646	1.3
65.03938	2.6
67.05500	23.9
68.59438	1.5
69.03442	2.0
69.07058	20.4
69.56821	6.1
71.05017	2.0
79.05485	15.0
81.07050	58.0
83.04980	14.8
83.08630	6.2
84.39849	1.4
85.06541	2.8
91.05479	10.3
93.07043	36.3
95.04963	100.0
95.08595	52.4
95.77211	1.7
97.06542	5.8
97.10194	5.1
98.22728	2.2
99.72549	1.5
105.07022	26.1
107.08589	38.2
107.09355	2.0
109.06515	23.7
109.10144	36.2
109.10889	2.1
109.53414	1.4
111.08100	4.0
111.11707	3.3
117.07037	2.5
119.08569	27.0
121.06472	3.0
121.10136	25.9
123.08064	4.7
123.11696	22.1
131.08534	7.2
133.10143	19.7
135.08078	3.8
135.11678	18.8
137.09660	1.6
137.13234	7.8
143.08574	2.9
145.10107	11.9
147.11670	15.6
149.09691	2.8
149.13248	15.2
151.14842	2.6
156.09340	1.9
157.10167	4.5
158.10918	1.7
159.11668	14.3
161.09677	3.8
161.13229	11.0
163.11186	3.6
163.14766	8.7
165.12807	1.7
171.11732	4.5
173.13246	12.1
175.14789	8.6
177.16455	5.1
185.13234	2.3
187.14824	6.7
189.12732	2.8
189.16435	5.7
191.17982	2.1
197.13275	1.6
199.14857	3.9
201.16389	5.4
203.17932	8.3
205.15881	2.9
211.14929	2.0
213.16470	4.9
215.18059	5.5
217.15932	2.5
217.19572	2.8
227.17970	2.4
229.19547	2.7
241.19586	1.8
243.21143	2.3
255.21169	2.8
257.22659	5.1
259.24350	1.6
327.30576	2.1
337.28772	15.1
355.29984	60.1
356.30286	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	355.2996
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
53.03939	2.8
55.05258	2.2
55.05511	32.8
57.07067	6.5
65.03944	5.4
67.05500	42.8
69.03432	4.1
69.07066	38.3
70.06582	6.7
70.68456	2.7
71.04998	2.2
79.05486	28.8
81.07054	100.0
82.07382	1.9
83.04980	17.2
83.08619	15.1
85.06544	2.3
88.07633	11.9
91.05478	26.2
93.07042	63.8
95.04966	88.4
95.08603	88.3
97.06531	7.3
97.10170	7.9
99.08115	3.0
102.09162	2.1
105.07027	47.9
106.07286	1.9
106.08661	6.1
107.08593	75.8
108.08970	1.8
109.06522	24.5
109.10155	55.4
111.08073	4.7
111.11706	2.4
116.06368	1.4
117.07027	3.8
119.08574	53.1
120.08861	2.1
121.06488	2.2
121.09269	2.6
121.10136	49.3
121.10988	2.7
123.08067	6.7
123.11710	29.0
125.09648	4.9
130.07870	1.5
131.08551	17.2
133.10126	31.7
135.08063	6.7
135.11681	35.3
137.09592	2.5
137.13239	12.5
139.11200	2.9
142.07780	2.5
143.08514	9.1
145.10117	26.5
147.11684	34.2
149.09573	2.4
149.13260	30.9
157.10103	11.9
159.11696	30.2
161.09650	3.7
161.13246	24.2
163.11234	4.8
163.14850	14.2
171.11629	11.0
173.13231	18.1
175.11301	1.8
175.14828	14.0
177.16283	7.8
183.11688	2.3
185.13292	8.4
187.14813	14.5
189.16388	15.8
191.17937	3.9
197.13292	2.0
199.14812	9.6
201.16364	14.5
203.14278	2.1
203.17984	12.3
205.15897	2.2
205.19656	2.1
211.14864	2.2
213.16403	9.8
215.17952	13.3
217.19528	5.0
219.17569	2.1
225.16396	2.7
227.18010	7.7
229.19510	6.7
231.17372	2.7
231.21181	1.8
239.18050	2.1
241.19501	4.3
243.21136	4.5
245.19038	2.9
253.19511	2.2
255.21146	3.6
257.22641	6.5
259.20551	2.3
259.24219	3.1
269.22696	3.4
273.22116	2.5
281.22421	3.7
285.22385	2.5
297.25842	2.6
299.43677	1.6
311.27393	2.2
337.28827	21.4
338.34082	3.0
355.29941	99.7
356.30447	10.5
356.35153	62.8
356.39691	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71622	5.5
55.05495	20.5
56.27037	5.0
67.05500	28.6
69.07052	24.6
70.51461	14.9
71.04982	7.7
79.05473	23.0
81.07052	100.0
83.08603	14.3
91.05487	19.5
93.07038	67.8
95.04970	11.2
95.08597	54.3
97.06533	8.7
97.10142	9.7
105.07000	37.3
107.08582	60.4
109.10144	40.9
119.08598	38.6
121.10136	37.2
122.94374	6.3
123.11680	15.7
133.10147	32.3
135.11656	24.9
145.10121	12.0
147.11678	17.9
149.13231	44.0
159.11685	12.5
161.13243	25.4
163.14798	21.3
173.13235	18.8
175.14807	16.3
177.16519	9.3
185.13286	6.6
187.14763	10.1
189.16414	16.0
191.17834	15.3
198.81070	5.7
201.16226	6.2
203.17976	9.8
213.16391	10.1
229.19539	7.3
337.28912	15.4
355.29953	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2993
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
50.04682	1.6
53.03931	1.9
55.05515	12.5
56.76077	1.7
57.07072	3.9
67.05497	31.3
69.03410	1.9
69.07058	23.5
77.03921	1.8
79.05484	27.3
81.07048	90.1
82.07374	2.8
83.04982	2.8
83.08605	8.9
91.05466	20.1
93.07036	53.1
95.04964	6.5
95.08597	85.2
97.06519	5.2
97.10181	6.5
105.07017	38.9
106.07413	1.7
107.08584	50.7
108.09016	2.1
109.06526	3.4
109.10146	34.5
111.08099	2.0
111.11704	2.9
117.07023	5.6
119.08575	43.6
121.10130	33.7
123.08069	3.3
123.11697	17.1
125.09657	2.2
129.06989	3.8
130.07736	1.8
131.08553	15.8
133.10112	25.7
135.08055	1.5
135.11679	26.1
137.09624	2.2
137.13255	4.2
143.08569	8.3
145.10118	27.9
147.11670	22.7
149.13237	26.0
151.11147	2.4
151.14740	2.0
155.08469	2.5
157.10081	9.2
159.11659	26.5
161.13246	19.9
163.11154	3.2
163.14818	16.9
169.10132	2.2
171.11671	7.9
173.13280	17.5
175.14822	12.7
177.16414	4.8
179.14336	1.9
183.11711	2.8
185.13254	7.6
187.14827	10.1
189.16438	9.7
191.14221	2.8
193.15878	2.5
197.13368	2.8
199.14742	9.7
201.16348	11.0
203.17989	7.5
211.14825	3.0
213.16438	11.4
215.17935	8.0
217.19473	2.7
225.16412	2.4
227.17969	8.7
229.19539	6.3
231.17435	2.2
231.21056	4.4
239.17961	2.9
241.19563	6.6
243.21144	3.6
245.19048	2.6
253.19571	3.2
255.21024	8.6
257.22751	2.3
267.21124	3.7
269.22546	8.5
271.24203	2.9
281.22617	4.7
285.22089	3.7
297.25626	2.1
299.23639	2.8
302.17105	2.0
327.30426	2.9
337.28891	37.5
338.29327	3.1
355.29950	100.0
356.30106	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	355.2994
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
54.05272	3.3
55.05503	37.4
57.07068	13.8
58.56736	3.7
64.62566	3.7
67.05503	44.0
69.07062	45.0
69.08628	11.6
69.09052	15.0
71.08644	5.8
71.32768	3.2
79.05489	27.5
81.07052	100.0
82.98165	3.7
83.04992	7.4
83.08603	18.4
84.08937	9.3
91.05466	27.3
93.07040	77.7
95.04961	12.1
95.08598	92.3
95.72577	4.0
96.08929	5.3
97.10173	15.5
98.10473	4.1
103.14242	3.6
105.04485	3.6
105.07018	46.2
107.08578	82.5
107.09258	5.9
109.06520	5.2
109.10154	63.2
111.08128	4.1
111.11716	4.1
119.08563	62.2
121.10133	49.2
123.11694	23.3
125.09599	3.3
131.08565	11.8
133.10103	43.6
135.08086	7.9
135.11687	59.0
137.13257	11.2
143.08563	8.4
145.10100	20.9
147.11696	31.8
148.28676	3.6
149.13214	33.3
151.11237	3.3
157.10155	7.3
159.11621	24.6
161.13229	27.0
163.11101	3.7
163.14813	10.0
171.11700	4.5
173.13264	16.1
175.11176	3.9
175.14890	20.8
176.51979	3.3
177.12883	3.7
177.16347	5.3
187.14796	10.1
189.16365	14.8
191.17953	6.1
199.14809	6.4
201.16412	15.7
203.18005	19.8
213.16371	8.2
215.17886	7.1
227.17879	5.5
229.19473	5.4
231.17496	4.1
257.22687	14.1
267.21161	4.7
299.23813	4.7
320.30148	4.4
337.28885	15.1
355.11572	6.2
355.30023	74.4
356.29904	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	356.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01851	0.7
55.05476	0.3
57.02460	0.3
65.03914	0.6
66.75572	0.2
67.05479	0.7
68.99782	1.2
69.03413	0.8
69.22173	0.8
69.22569	0.5
77.85107	0.2
79.05470	0.4
81.03405	1.5
83.04968	1.8
91.05489	0.3
93.03365	1.0
95.04965	2.6
103.05468	2.1
104.62155	0.2
105.03386	1.3
105.06992	0.5
108.04468	0.3
108.40023	0.3
109.02172	0.4
109.02859	4.5
111.04432	2.6
121.02850	0.4
123.04420	7.6
131.04909	8.0
132.05278	0.3
133.02850	2.4
134.36954	0.2
137.02325	2.0
139.03854	0.6
151.03899	2.3
155.03372	0.6
161.02309	3.7
165.01839	4.0
167.03346	0.4
179.03371	16.8
180.03741	0.5
183.02849	1.6
189.01811	1.6
191.03484	0.3
193.01352	1.0
195.07996	0.4
206.04440	0.3
207.02863	100.0
208.03206	3.5
211.02379	2.4
225.03906	6.0
225.06096	0.4
231.06348	0.3
234.03925	0.6
235.02342	47.9
236.02724	1.8
252.05008	26.1
253.03302	5.0
268.13754	0.3
269.08060	3.4
311.09085	21.4
312.09433	1.2
338.10214	1.1
339.08578	14.7
340.05136	0.3
340.08957	0.9
356.11234	9.0
356.14914	0.5
357.11621	1.0
367.11160	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	356.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56889	0.5
52.64163	0.5
55.01843	0.5
55.05482	0.6
55.70741	0.5
65.03931	0.8
67.05501	0.5
68.99791	1.4
69.03423	0.7
69.85066	1.8
70.06590	1.0
72.05642	0.8
78.49477	0.5
79.05487	0.6
80.64082	0.5
81.03421	2.7
83.04976	2.7
83.75208	0.5
93.03422	0.8
95.04968	3.0
100.07616	1.1
103.05491	3.8
105.03375	1.7
108.04476	0.7
109.02874	4.8
110.06052	1.6
111.04441	3.2
123.04420	7.2
131.04930	12.3
133.02869	1.9
137.02332	1.9
139.03871	0.6
151.03906	2.2
154.04919	0.5
155.03380	1.3
161.02275	3.0
163.03867	1.7
165.01857	4.4
167.03465	0.7
169.01230	0.7
171.15012	0.5
175.03885	0.8
179.03386	16.1
179.04971	0.9
183.02899	1.6
184.59708	0.5
189.01833	1.7
193.01297	1.1
197.04436	0.6
207.02879	100.0
208.03258	3.4
211.02370	3.1
225.03912	7.1
235.02361	43.6
236.02725	1.9
236.05452	1.2
252.05032	25.2
252.09778	2.0
253.03235	4.1
253.05722	0.7
269.08130	2.6
279.10254	0.6
311.09100	19.2
312.09430	1.2
338.10220	2.0
339.08597	14.8
340.08997	1.0
356.11310	10.5
356.15588	1.0
356.29132	0.7
357.11389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14240	0.3
55.01866	0.7
65.03921	0.5
67.05485	0.6
68.99768	1.9
69.03419	0.7
70.06577	0.6
70.53602	0.6
72.04499	0.5
72.05629	0.5
79.05479	0.8
81.03414	2.1
82.06562	1.3
83.04994	2.1
84.08141	1.0
86.06081	3.8
87.04456	1.3
91.05481	0.7
93.03383	0.8
95.04971	2.4
96.04469	0.6
100.07618	3.5
103.05470	3.0
105.03375	2.0
108.04471	0.7
109.02882	4.7
110.02363	0.4
110.06056	1.9
110.09749	0.5
111.04430	2.0
121.02864	0.9
123.04424	7.0
130.99042	0.4
131.04926	10.8
132.05240	0.6
133.02853	2.9
135.04405	0.4
137.02338	2.3
138.01820	0.6
138.05487	2.1
141.06989	0.6
151.03926	2.9
155.03362	1.0
156.88112	0.3
161.02382	3.0
163.03848	0.6
165.01834	3.9
166.01317	0.6
166.04990	0.8
168.02905	0.8
169.01146	0.5
169.03275	0.5
169.64146	0.3
171.14931	1.1
179.03394	16.5
181.01280	0.8
183.02901	2.2
186.14873	0.5
189.01817	1.5
191.03407	0.5
193.01321	0.8
199.02258	0.5
206.04503	2.0
207.02884	100.0
208.03255	3.4
208.05089	0.4
208.06013	0.4
211.02364	2.7
225.03935	7.8
227.06863	0.5
231.35527	0.4
234.03981	1.2
235.02368	42.8
236.02713	1.6
236.05397	0.5
240.19582	0.9
252.05031	25.3
253.03381	5.6
253.05495	0.4
269.08047	3.2
270.06039	1.0
272.09225	0.4
273.09494	0.7
279.09842	0.4
297.07303	0.5
311.09119	19.3
312.09393	1.5
328.91034	0.3
338.10117	1.1
339.08609	13.1
339.12012	0.6
340.08704	0.9
356.11194	10.1
356.15152	2.3
356.29053	3.6
357.11465	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	356.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84104	0.6
53.03952	1.1
55.01873	3.2
57.45478	0.6
58.84525	0.6
66.50451	0.6
66.51545	0.6
67.05492	1.2
68.05028	1.0
68.99803	2.4
69.15968	4.5
70.06580	1.7
72.05631	1.0
79.05469	1.3
81.03412	1.8
82.06592	1.1
83.04983	2.6
86.06077	5.8
91.05484	1.0
94.06589	0.8
95.04971	2.2
97.61465	0.8
98.06079	1.2
100.07617	4.0
103.05460	5.9
105.03388	2.6
107.01313	1.2
108.04470	2.8
109.02888	8.2
110.06069	2.1
111.04443	3.0
116.60907	0.7
121.02863	1.2
122.06046	2.4
123.04446	7.7
126.01860	1.1
126.65894	0.7
127.75013	0.7
131.04932	17.2
132.05286	1.7
133.02878	4.2
134.06052	0.7
135.59389	0.7
136.03972	1.5
137.02350	1.8
138.01836	0.9
147.04379	1.1
150.01843	0.9
150.05511	5.8
151.03926	3.3
155.03436	1.0
161.02367	3.3
163.03911	1.0
164.03403	8.3
165.01860	4.3
168.02928	2.7
169.03262	1.0
175.03885	1.5
178.04997	12.9
179.03412	14.6
179.05058	1.4
180.03798	0.7
181.01358	2.5
182.04538	1.1
183.02892	2.2
189.01854	2.4
190.05008	1.1
192.02937	2.6
193.01341	2.7
196.06120	0.8
199.02335	0.8
205.03859	0.9
206.04498	53.4
207.02907	100.0
207.04756	7.0
208.03293	3.9
210.04018	3.6
211.02374	4.6
216.02924	1.5
223.04623	0.7
224.05476	3.8
225.03918	6.4
225.05844	0.9
233.06285	0.9
234.04001	19.1
234.06593	2.2
235.02368	45.2
235.06213	2.0
236.02802	1.3
236.05569	0.9
247.07510	1.3
252.05035	63.3
253.03229	5.5
253.05638	1.5
256.30215	0.8
268.09714	1.6
269.08087	2.3
272.09189	0.9
273.09448	2.5
279.10294	0.8
296.05759	1.3
297.10492	1.2
310.10764	10.9
311.09030	22.2
312.09409	0.8
329.92453	0.6
338.09796	3.9
338.13602	1.2
339.08539	16.6
340.08676	0.7
356.06906	1.1
356.11234	16.1
356.15298	5.2
356.29178	3.3
357.11133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
56.25395	0.7
57.09558	0.6
65.03933	1.7
67.01518	1.4
67.01856	21.2
67.05492	1.9
68.02198	5.0
68.99783	5.7
69.03397	1.0
71.43378	0.8
79.05467	1.8
80.05815	1.2
81.07041	1.7
82.03712	0.9
91.05447	4.5
92.05800	3.0
93.06074	0.8
93.07003	1.0
95.04949	2.9
95.08022	0.8
95.08578	4.2
96.05301	1.0
96.08916	1.8
105.07020	1.5
106.07341	0.8
107.04936	2.1
107.08564	0.9
108.05316	0.9
111.04408	1.7
115.05453	1.1
117.06970	2.2
118.07344	1.0
119.04935	3.6
119.08540	1.5
120.05256	1.9
121.02854	43.5
121.06456	0.9
122.03185	24.8
131.04904	2.3
132.05234	1.8
145.02800	6.7
145.06447	1.1
146.03149	4.7
146.06778	1.8
147.04411	2.3
147.08028	1.8
151.03841	2.4
152.04242	1.0
163.03877	8.4
164.04243	7.3
167.03372	1.1
173.05930	1.2
174.06342	1.4
175.07532	2.4
176.07832	4.0
185.59019	0.9
187.03873	4.4
188.04210	3.5
191.06989	1.1
197.05972	1.5
198.06274	1.7
201.05353	1.0
202.05785	1.4
210.08423	0.9
211.03845	1.1
212.04176	3.2
227.06734	1.8
228.07393	3.9
229.04974	1.3
230.05290	4.7
237.07474	2.4
239.07037	1.7
240.07335	4.2
242.08987	1.4
247.05994	14.8
248.06323	24.4
252.07353	2.4
254.08961	0.9
255.08659	2.1
256.06750	2.3
266.05261	3.3
267.06537	1.4
268.06763	4.6
270.08356	1.3
270.11884	1.1
272.06119	1.2
275.69876	0.8
276.09363	1.1
277.08347	2.0
278.08865	7.8
278.43094	0.9
282.12003	3.4
292.10437	2.7
293.11810	1.0
294.11990	12.4
310.11447	5.4
311.12726	3.2
312.13058	46.0
313.13168	1.0
320.09924	2.5
328.12613	1.2
338.11032	1.2
356.12000	100.0
356.15463	5.6
356.27588	6.5
357.12250	5.4
357.27945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.149
Annotation	Ophiocarpine
Peak:m/z	Relative Intensity
55.05486	1.2
58.06577	1.0
62.43344	0.7
67.05502	0.8
67.44363	0.7
68.99782	2.0
69.07063	2.8
70.06573	1.7
70.10193	1.9
72.08154	1.2
79.05484	1.1
84.08153	1.4
86.06050	3.4
91.05477	1.0
92.19360	0.6
96.08124	19.6
98.22615	0.8
100.07622	6.6
103.05482	2.3
105.07019	0.9
110.09662	2.0
111.00805	0.9
111.03156	1.8
120.08087	1.1
122.06085	1.4
124.07584	5.6
131.04929	9.7
138.01875	1.9
138.09114	1.2
139.00253	2.6
164.03371	0.8
166.01308	2.2
166.08696	1.0
167.02135	13.5
168.02832	2.3
171.14931	1.9
177.04218	2.0
178.01353	5.3
181.01216	1.1
185.03159	7.3
186.14920	1.4
188.07167	0.8
192.02876	8.8
192.06538	20.5
193.03645	0.7
199.02420	1.3
205.03717	4.8
205.61449	0.9
206.04457	1.7
207.02869	1.3
210.07518	4.1
216.06517	1.8
219.05318	1.0
223.04555	1.5
234.07597	54.9
235.05942	2.2
235.08011	1.8
240.19478	1.3
252.08627	2.0
253.02220	0.9
271.08356	13.8
296.09274	2.8
296.12598	1.3
297.10181	1.4
309.09958	2.7
320.12845	0.9
327.10532	1.1
338.13837	100.0
339.14429	6.9
344.42795	0.7
356.11005	1.0
356.14825	11.1
356.29028	7.3
357.08423	2.0
357.14929	0.8
357.88199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.149
Annotation	Crebanine N-oxide
Peak:m/z	Relative Intensity
52.11587	0.4
53.18698	0.3
55.01875	0.3
65.03934	0.6
67.05492	0.7
68.99781	1.5
76.32916	0.3
79.05481	0.5
81.07066	0.5
87.04453	0.4
91.05444	1.2
91.43373	0.3
93.07018	0.6
95.04959	0.8
95.08574	0.5
97.02885	0.5
98.97559	0.8
105.07004	0.4
107.04932	0.7
107.08582	0.8
108.08102	0.8
110.09642	0.7
116.98602	0.4
117.06995	0.4
119.04923	2.3
119.08559	0.8
121.02856	22.3
121.06481	0.5
122.03163	0.4
123.08064	0.7
124.07551	0.3
128.00853	0.3
129.07016	0.5
133.06480	0.8
133.88702	0.3
135.08023	0.7
138.43475	0.3
139.00227	0.6
142.07307	0.4
145.02823	1.6
145.06482	0.6
145.38658	0.3
146.09651	0.3
147.04436	1.5
147.08029	1.1
149.05994	1.9
150.09108	0.4
159.04478	0.5
159.08064	0.3
161.02420	0.4
161.05994	0.5
163.03893	2.7
165.05412	0.7
167.07034	0.5
169.08600	0.3
174.09091	1.0
175.07523	3.1
176.10623	0.7
177.05460	1.1
179.07024	0.3
187.07555	0.5
190.12164	0.5
192.10162	1.5
193.04944	1.5
193.08598	1.3
194.11737	0.4
200.10670	0.3
202.08562	0.8
203.07053	1.6
214.08598	0.3
215.07042	0.9
217.08728	0.5
218.11781	0.4
219.06552	0.7
220.09599	0.8
221.08055	0.7
222.06693	0.4
223.07581	0.4
227.07014	1.1
237.07436	0.6
239.07002	9.3
239.10632	0.4
240.07564	0.9
241.08597	1.5
242.08888	0.4
245.07909	0.4
251.06989	1.6
252.07800	3.5
253.08527	1.2
254.05728	0.5
254.08224	1.3
255.06473	5.9
255.08699	0.6
256.06842	0.5
265.08539	1.2
265.12180	0.4
266.08078	1.4
267.10138	43.2
268.07895	0.4
268.10468	2.6
269.08054	1.1
277.08551	3.2
279.10083	3.9
280.10089	0.4
281.08063	0.5
281.11505	0.5
282.11227	1.8
283.09634	3.4
283.13123	0.9
292.10135	0.4
293.08316	0.6
293.11554	4.4
294.11182	3.2
295.09537	7.0
296.09692	0.8
297.07620	1.2
303.10162	0.8
309.10471	0.6
310.10812	1.3
310.14340	5.2
311.12668	8.1
320.12790	0.7
321.11154	2.7
327.03284	0.6
327.12268	0.4
331.01166	0.3
338.13843	18.4
339.12146	19.0
340.12640	1.1
356.14883	100.0
357.15561	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	356.1491
Annotation	O-Methylcassythine
Peak:m/z	Relative Intensity
51.73866	0.5
51.78318	0.5
56.05014	0.6
67.05489	2.1
68.99785	1.6
69.03413	0.6
69.51195	1.0
69.51556	1.9
70.06576	1.0
70.27511	0.5
75.98898	0.5
79.12624	0.5
81.07048	1.2
83.01328	4.6
84.08149	3.9
86.06055	0.7
91.05463	3.4
93.07033	1.6
95.04979	0.8
97.02879	0.7
103.05462	16.3
105.03393	0.8
105.07021	1.8
109.02874	0.8
109.06533	1.2
117.07011	1.8
119.04971	0.6
120.08108	1.3
121.06503	2.3
129.07050	0.7
131.04919	62.2
132.05272	1.8
133.06451	1.4
137.02319	0.5
139.07532	0.6
143.04901	0.6
149.05972	0.8
151.07568	0.6
153.01823	1.4
155.03360	1.6
161.05988	1.8
165.01843	1.9
167.07042	0.9
169.01326	3.1
171.04384	1.1
179.03377	0.8
179.06963	0.9
181.01305	29.8
183.02847	2.8
189.05420	4.2
193.01344	1.8
199.02359	13.8
199.04173	0.8
200.02684	0.6
205.04861	0.6
206.08199	0.8
207.02867	2.9
207.06487	3.4
209.04440	1.6
209.08095	0.6
211.02332	2.5
214.12210	3.3
216.06557	1.2
217.04945	3.8
226.10754	3.4
234.07544	1.6
235.05994	37.0
236.06113	0.6
243.13727	0.7
252.08661	11.3
253.07014	5.2
259.46167	0.6
266.49368	0.5
283.05988	1.2
285.07523	3.6
293.11761	0.9
321.11115	3.7
338.13895	0.6
339.12241	17.5
340.12537	0.8
356.14890	100.0
357.15262	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	356.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01866	5.9
56.11021	2.0
57.03417	8.8
57.50425	1.7
61.02924	5.7
69.03426	34.3
69.74093	5.1
70.06593	5.5
71.05000	2.1
73.02925	5.2
73.06554	15.6
74.06115	1.7
81.03413	17.8
84.08125	3.9
85.02901	100.0
86.09722	2.6
87.00828	46.3
97.02888	26.9
99.04466	10.5
105.01860	83.2
108.04473	1.8
109.02877	28.6
117.01868	2.1
117.05511	10.4
127.03906	64.8
128.55626	1.8
140.00223	4.4
145.04939	27.5
158.01372	3.8
159.02882	7.1
159.06552	5.4
165.33443	2.1
189.03918	4.5
213.04001	4.1
231.04951	17.7
249.06061	6.5
288.95926	1.8
304.12439	3.1
315.03177	3.0
318.80362	1.8
326.13605	2.8
357.15323	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	356.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00348	0.5
55.01869	1.0
55.05514	0.5
56.05020	0.7
58.06593	0.5
58.12256	0.5
60.05646	5.2
60.69950	0.5
61.04615	0.5
67.05489	2.4
68.99783	1.5
69.07054	1.4
70.06588	3.3
72.04504	1.0
72.05634	9.2
72.08130	2.3
72.81554	0.5
73.04042	1.0
73.06424	0.6
79.05492	3.8
81.07067	0.9
84.05643	0.7
84.08125	2.2
86.06056	3.0
91.05476	2.9
94.06532	0.8
94.09508	0.5
95.04973	4.0
96.08118	1.8
97.06532	6.7
98.06078	1.2
98.07175	21.6
98.09675	0.6
99.07979	3.7
100.07618	14.7
103.05459	2.2
105.04517	0.6
107.04948	1.6
108.08022	0.5
109.02882	0.8
109.06506	0.6
109.07549	0.6
110.06035	1.1
110.09681	2.9
111.05535	0.6
112.07594	0.6
118.06548	1.1
119.04922	1.6
121.02878	1.1
121.06487	0.9
123.04402	0.7
124.07568	1.0
124.08692	0.6
124.60323	0.6
125.06033	0.9
126.05544	0.9
128.08170	0.9
130.88164	0.5
131.04926	8.3
135.04398	0.9
136.07556	0.9
137.06021	3.6
137.06967	1.0
146.05977	1.5
147.04417	3.7
152.08174	3.4
163.03935	2.9
164.03351	1.5
164.07024	3.4
165.05475	3.2
168.06433	0.7
175.03909	12.2
177.01801	0.7
179.03433	0.7
180.11328	0.8
181.04900	2.7
182.09236	2.5
183.02866	1.0
183.06516	0.7
187.14426	0.8
189.06581	3.2
191.03400	1.2
192.06548	10.5
193.04938	5.9
193.06609	0.8
196.10789	3.4
206.09200	2.0
207.02820	2.5
210.07571	1.8
211.06000	2.5
216.07634	7.3
217.06073	1.3
224.10341	4.5
224.20071	6.7
234.08742	14.3
235.02551	0.9
235.07158	4.4
236.05441	2.8
238.18079	0.9
239.18126	0.8
252.09785	100.0
253.10126	3.5
258.76501	0.6
267.10028	1.4
270.10904	3.2
279.10132	13.9
296.12933	1.7
297.11194	0.5
311.09113	0.9
320.13904	2.0
338.10782	1.0
338.14871	8.8
339.08524	1.4
356.11725	2.1
356.16006	53.4
356.28983	12.9
357.16397	3.0
357.29614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	1.3
57.03434	0.7
58.20323	0.5
60.05653	5.2
61.92203	0.5
62.37327	0.5
67.05476	1.9
68.05031	0.5
68.99773	1.9
69.03413	0.7
69.07043	1.9
70.06596	2.5
72.05309	0.6
72.05638	8.5
72.08140	1.1
73.04025	1.4
79.05488	4.2
81.03397	0.9
81.07029	0.5
83.04975	0.6
84.08121	1.6
85.02895	0.6
86.06049	2.1
91.05475	2.9
92.20863	0.6
94.06551	0.9
95.04969	3.3
95.08598	0.7
96.08107	2.1
97.06528	6.5
98.07175	20.9
98.07813	1.1
99.07970	3.9
99.08504	0.7
100.07612	9.9
103.05433	2.1
105.07063	0.5
107.04941	1.9
109.02891	0.6
110.06028	1.3
110.09653	1.5
113.16781	0.6
119.04922	2.1
121.06479	0.7
123.04410	0.9
124.07504	0.8
125.05992	0.9
127.11139	0.7
128.08209	0.5
129.77176	0.6
131.04898	6.5
133.06416	0.6
135.04414	1.3
136.07571	1.6
137.02266	0.7
137.05283	0.4
137.05997	4.7
137.07030	0.9
146.05966	0.9
147.04428	3.9
148.07515	0.5
150.05435	0.6
151.03824	0.6
152.08214	3.8
163.03906	2.6
164.03366	1.9
164.07077	1.5
165.01837	0.8
165.05458	3.2
174.05522	1.0
175.03906	10.2
181.04929	2.0
182.09224	2.4
184.02426	0.7
188.08083	0.7
189.06577	2.8
191.03372	0.9
192.06528	9.6
193.04944	5.9
196.10814	4.0
206.04498	1.3
206.09200	0.8
207.02879	1.9
207.04698	1.0
210.07558	1.3
211.06021	1.8
216.07703	8.3
217.06012	1.3
219.42316	0.7
224.10349	5.0
224.20071	3.5
234.08717	13.6
235.04961	0.6
235.07022	3.7
236.05522	1.9
238.18066	1.6
252.09776	100.0
253.10117	2.8
267.10254	1.3
270.07913	0.8
270.10822	2.5
271.05576	0.6
278.11496	0.5
279.10126	12.2
280.10446	0.8
296.12787	2.9
320.13959	2.3
338.15030	7.8
355.28091	0.6
356.16010	56.4
356.28986	7.9
357.16492	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	356.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01690	1.6
57.03424	6.6
57.07053	1.7
58.06612	3.7
61.70718	1.5
66.70309	1.7
67.05497	5.9
69.03413	4.6
69.07034	1.7
69.77402	5.8
79.33451	1.6
81.07061	2.6
84.04549	1.9
85.02893	15.4
85.10180	8.3
86.09692	3.7
91.05473	4.8
93.07045	3.7
95.08600	57.7
97.02899	4.0
97.06437	1.5
107.04950	2.0
113.09640	71.3
114.09975	2.1
119.04929	3.6
121.02882	5.3
123.08076	9.3
125.05960	1.8
128.00810	8.3
131.10672	100.0
137.05984	6.4
138.06306	3.8
139.00278	2.2
139.03836	1.9
141.09085	6.0
145.04930	2.1
147.04408	6.7
163.07076	2.0
165.05479	4.9
169.08604	1.7
175.03850	1.9
177.05560	1.9
177.11217	22.3
189.05223	1.5
191.06955	1.5
193.04942	5.7
201.05453	9.3
202.05785	12.7
219.06508	4.6
235.07002	2.8
237.07616	3.6
255.08635	7.3
263.06601	1.9
278.08963	2.1
292.07690	3.0
294.08624	1.8
306.08340	4.3
310.08755	5.0
312.10333	1.9
326.11249	2.0
356.04373	2.0
356.09299	5.9
356.15088	1.7
357.10388	8.4
357.14963	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	356.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88715	0.4
52.69304	0.4
55.05517	1.1
56.05035	0.8
58.06586	2.3
67.05494	2.2
68.05026	0.6
69.07060	1.5
69.25916	2.9
70.06236	0.6
70.06591	6.9
71.05003	0.7
72.04508	5.8
72.08146	4.0
79.05488	2.7
80.05014	1.9
81.07053	3.4
82.06577	1.5
84.08141	13.3
91.05457	3.0
93.07029	2.5
94.06580	2.6
95.04955	1.6
95.08600	1.5
96.08121	1.2
98.06057	0.6
98.09664	0.8
98.23507	0.9
100.07613	91.4
101.07950	0.9
105.07037	2.0
107.08595	4.8
108.08123	0.8
109.06454	0.6
110.06038	1.1
110.09673	7.6
112.11240	9.2
122.09654	0.6
124.11218	1.7
125.09650	3.5
127.12312	0.8
129.13866	5.3
133.10110	1.2
147.11652	0.7
150.12767	5.2
151.11188	2.0
152.10548	0.5
168.13826	10.4
169.13321	4.8
171.14920	29.4
172.15265	0.8
184.18835	0.5
186.14893	12.0
188.12202	0.5
194.11856	0.8
210.14882	0.7
222.18474	11.9
222.20412	0.8
223.18756	0.8
225.89565	0.6
236.05658	0.5
240.19531	8.2
250.17996	3.2
264.19568	0.5
267.20590	0.7
320.26993	1.0
321.25406	2.8
338.28018	18.3
339.28174	0.8
356.12180	1.4
356.29044	100.0
357.29333	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	356.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81382	0.3
53.03938	0.4
55.05508	10.8
57.02635	0.3
57.07076	1.8
58.06615	0.7
62.06068	0.4
67.05489	0.4
68.05033	0.5
69.06711	0.5
69.07063	8.8
69.40808	0.8
69.41212	0.9
70.06587	13.2
71.08615	0.8
74.06070	0.4
81.07068	0.4
83.08605	3.5
88.07622	17.8
97.10145	1.2
98.51575	0.3
102.09175	4.6
106.07970	0.6
106.08657	9.5
111.11736	0.3
130.75665	0.3
294.31616	0.3
312.32663	0.8
338.34119	5.5
339.34412	0.6
350.46619	0.3
356.35184	100.0
357.14682	0.4
357.35504	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	356.3519
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05507	10.1
57.07067	2.0
58.06583	0.7
62.06084	0.4
67.20490	0.3
69.06709	0.6
69.07063	8.7
69.30701	1.3
69.31104	0.7
70.06584	12.4
71.08617	0.8
74.06050	0.4
81.07018	0.4
83.08613	3.8
86.06055	0.4
88.07623	18.4
97.10161	1.7
98.22659	0.8
102.09174	4.2
106.08657	9.1
111.11749	0.5
155.95160	0.4
178.46065	0.4
312.32751	0.6
338.34134	6.4
356.35184	100.0
357.35480	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	357.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01867	0.7
56.05024	1.0
61.21111	0.4
61.35174	0.4
65.03938	1.0
66.81112	0.4
67.05498	1.3
67.10456	0.4
68.99785	2.5
69.03419	1.2
69.29795	0.4
70.06587	1.9
77.03906	0.9
79.05495	1.0
81.03427	2.4
81.47984	0.4
83.04971	2.9
83.58974	0.4
84.08142	0.4
86.06066	16.4
86.06588	0.8
87.04482	0.8
91.05457	1.4
93.03394	1.2
95.04961	5.2
98.06049	2.0
100.07598	0.8
103.05466	3.4
105.03389	3.2
107.04956	0.9
108.83752	0.5
109.02878	4.9
110.06033	2.6
111.04453	3.2
121.02838	0.6
123.04422	9.5
126.05499	0.9
131.04918	10.6
132.05229	0.6
133.02850	2.7
137.02336	3.1
139.03876	0.8
141.37532	0.4
145.02821	0.5
151.03894	4.1
155.03358	0.9
161.02351	3.9
163.03900	1.3
165.01796	4.4
168.02907	1.3
168.06612	0.7
169.01309	1.5
179.03389	19.6
180.03822	0.4
180.06415	0.4
183.02884	1.5
189.01842	1.2
190.04968	0.4
191.03395	2.0
191.08456	0.4
192.06557	0.8
193.01340	1.1
199.02315	0.4
201.01791	0.7
207.02876	100.0
208.03201	3.7
208.05981	1.4
209.04416	0.8
210.07541	0.6
211.02405	3.0
213.05330	0.4
218.04501	1.0
219.02861	2.1
220.06107	0.5
225.03912	7.8
235.02353	19.1
236.02863	0.8
236.05515	5.4
237.03944	1.3
247.07481	0.5
253.03432	43.8
254.03813	1.2
254.06372	0.8
269.08072	2.9
272.09268	0.6
276.10281	0.6
297.07513	1.1
311.09116	28.2
312.09372	1.5
312.12500	0.5
322.10754	1.4
339.08530	2.4
339.13211	0.8
340.11844	6.9
356.28839	0.6
357.09592	5.1
357.14114	0.9
358.12918	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	357.1104
Annotation	Arctodecurrolide
Peak:m/z	Relative Intensity
51.66538	1.3
63.63113	1.2
67.28069	1.2
70.06586	5.8
70.99570	2.2
71.83930	1.1
85.79779	1.3
98.47422	1.5
98.97574	2.3
119.01852	2.2
156.96066	1.5
168.04387	1.9
171.10895	3.1
172.04509	1.4
174.46037	1.7
177.00882	7.3
186.05580	1.6
189.12012	2.5
194.10353	1.4
195.10635	3.9
201.02101	3.6
208.02962	1.9
212.74571	1.5
218.03708	3.1
219.01988	10.6
220.02126	5.3
221.01848	5.6
226.04112	14.5
228.05716	5.2
231.07629	1.8
232.03349	2.6
243.02980	2.9
243.06836	3.9
244.05173	5.4
250.05190	2.7
253.05217	3.5
255.06828	3.4
262.05310	7.2
263.02841	3.1
268.05283	3.8
269.04935	2.4
273.07770	2.3
279.07874	10.6
280.06155	8.9
286.06256	1.9
297.08624	16.8
298.07214	23.2
299.07413	3.4
314.95032	2.2
315.05319	7.0
315.08878	70.9
316.04965	4.8
316.08997	11.7
321.08963	8.6
332.96085	2.1
333.06412	6.8
333.10532	2.4
338.10364	1.5
339.09952	15.8
357.11035	100.0
358.11105	12.7
375.08444	4.9
380.12888	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	357.1334
Annotation	Herqueichrysin
Peak:m/z	Relative Intensity
53.00301	0.5
55.01871	2.6
55.05502	2.2
57.03431	1.3
65.03923	0.8
67.05499	6.1
68.99790	6.1
69.00154	0.7
69.03444	1.1
69.07055	1.3
69.56483	1.0
69.56871	1.6
79.05489	6.2
81.03403	1.4
81.07061	4.2
83.04978	1.7
84.13370	0.5
85.02895	1.2
91.05476	6.0
93.07042	5.9
95.01306	1.0
95.04969	2.9
95.08604	25.0
96.08903	0.6
97.02920	0.5
97.06532	2.2
98.22751	1.0
103.05477	2.0
105.03419	0.5
105.04528	0.9
105.07015	3.6
107.01323	0.6
107.04942	8.6
107.08594	4.5
109.02891	0.6
109.06535	2.5
111.00792	1.0
115.05421	1.4
117.07021	5.9
119.04942	4.1
119.08581	3.7
121.02865	2.7
121.06503	23.3
123.04450	0.9
123.08080	6.6
125.02338	1.1
125.05959	1.2
128.06215	1.0
129.06947	1.0
131.04919	1.0
133.06468	1.6
135.04430	1.3
135.08038	5.5
137.02351	1.7
137.05974	0.8
139.00262	0.7
139.03874	0.7
139.07632	0.5
145.06471	4.6
147.04402	15.2
147.08060	2.5
148.04727	0.7
149.02316	1.4
149.05960	5.4
151.07558	3.3
153.05396	0.7
159.04437	1.4
163.07527	6.0
165.05550	0.6
165.09041	0.5
167.03395	2.2
167.07036	1.4
173.05989	3.4
175.07584	1.5
177.05374	0.8
181.06749	0.5
181.08601	2.8
189.05420	0.7
191.07027	6.6
193.04942	1.0
193.08557	1.5
195.02795	1.0
201.05423	1.4
209.08081	7.8
217.08505	0.7
219.06544	1.6
227.07068	0.5
237.07562	34.6
238.07854	1.5
245.08130	0.7
255.08626	100.0
256.08981	4.2
257.09100	0.6
263.09125	3.5
273.07526	1.3
278.10202	0.8
286.04669	0.8
296.11224	1.0
311.12613	0.9
339.12073	1.7
339.22482	0.5
356.27875	0.6
357.09171	0.6
357.13284	8.6
357.20364	0.6
357.28006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Brosimacutin G
Peak:m/z	Relative Intensity
50.24658	0.6
53.03936	1.8
55.01865	4.7
55.05507	4.9
59.70588	0.6
65.03921	1.7
67.05164	0.8
67.05498	10.2
67.76191	0.6
68.99430	0.6
68.99785	9.0
69.03417	2.7
69.07076	1.9
71.01338	1.3
77.03921	0.9
79.05489	8.3
81.03402	3.3
81.07050	12.3
83.04964	1.4
85.02921	0.6
87.94135	0.6
91.05466	17.1
93.03432	0.6
93.07033	10.0
95.01344	1.7
95.04960	13.9
95.08598	32.8
96.08936	1.0
97.02901	0.9
97.06550	1.5
99.00903	0.6
99.04459	1.2
103.05449	3.5
104.06267	0.7
105.03349	0.8
105.04510	1.1
105.07022	8.4
107.01281	0.9
107.04247	1.0
107.04945	12.2
107.08579	5.6
108.99292	0.7
109.02869	1.3
109.06501	6.9
109.10134	1.6
111.00822	1.1
111.04428	1.5
111.08060	0.8
115.00291	2.4
115.05444	3.2
117.06200	0.7
117.07017	12.6
119.04163	0.9
119.04932	10.3
119.08572	6.8
121.02855	6.3
121.06493	32.3
123.04436	3.4
123.08060	8.3
125.02348	0.9
125.05994	1.3
127.01557	5.0
128.06184	0.8
129.06981	2.8
131.04910	2.8
132.05682	0.9
133.06482	2.9
135.04393	1.5
135.08029	9.1
137.02316	3.4
137.05980	4.1
137.09599	0.9
139.00203	1.0
139.03870	1.9
139.07486	2.0
141.09073	1.4
145.06468	12.8
147.04390	43.7
147.08032	11.5
148.04753	1.0
149.02303	2.2
149.05960	10.7
149.09448	0.7
151.03886	3.9
151.07532	2.5
152.25870	0.5
157.06473	1.5
159.04375	0.8
160.05148	0.5
163.03891	0.9
163.07512	14.9
164.07919	0.6
165.05455	1.7
165.09074	1.4
167.03383	1.7
167.06953	0.7
173.05989	8.8
175.07520	3.5
177.05420	4.3
181.08589	1.3
185.06039	0.8
189.05437	1.0
191.07001	11.3
193.04959	1.5
193.08595	2.1
195.02911	0.9
195.06497	2.0
201.05479	3.2
201.09135	0.8
203.06944	0.7
209.08102	6.1
219.06415	3.3
219.10164	0.7
227.07005	1.3
230.98199	2.0
237.07550	100.0
238.07878	3.7
240.07516	0.8
245.08078	1.1
255.08606	42.9
256.08908	1.4
263.09128	9.5
267.05399	1.6
272.47214	0.6
278.10257	1.0
295.12955	0.9
309.10974	0.8
311.12701	1.4
321.11020	1.1
327.12201	2.6
339.12125	2.3
339.23203	0.7
357.13184	13.0
357.17664	1.0
357.27841	1.2
358.13614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
50.96783	0.5
51.98612	0.5
55.01863	0.8
57.59828	0.5
64.51878	0.5
64.83099	0.4
65.03936	1.0
67.05516	0.6
67.33940	0.6
68.99788	2.0
69.03446	0.5
79.05461	1.3
79.41676	0.5
81.07054	0.8
86.09740	0.6
91.05486	3.0
93.03456	0.5
93.07030	1.3
95.04943	3.2
95.08598	1.6
97.02914	1.1
105.07033	2.0
107.04960	1.7
107.08583	1.1
109.06496	0.6
111.04447	0.9
111.22552	0.6
115.05418	0.8
115.62286	0.5
117.07021	0.6
119.04910	2.7
119.08566	2.3
121.02863	29.8
121.06520	1.5
123.04396	1.5
123.08075	1.4
131.04837	0.5
131.08475	0.5
133.06421	0.8
135.08092	0.8
137.05954	6.0
138.06331	0.6
139.00217	0.9
141.05453	1.2
145.02859	1.5
145.06474	0.9
147.04425	2.2
147.08044	2.9
149.05928	2.7
149.09604	0.6
151.03906	2.1
151.07530	0.8
157.06552	0.5
161.05989	0.8
163.03908	3.3
163.07541	0.9
165.05431	1.4
167.07076	0.7
169.08633	0.6
175.07532	3.7
177.05492	1.1
187.07507	0.8
193.04971	2.7
193.08615	2.4
203.07092	1.5
215.07034	2.4
219.06546	2.0
222.06789	0.6
226.06189	0.9
227.07030	2.0
236.21533	0.5
237.05650	0.8
237.07755	0.9
239.07034	9.6
240.07559	0.9
241.04907	0.7
241.08546	2.4
251.07016	1.2
252.07854	3.0
253.08578	2.4
255.06465	9.2
255.08733	1.8
265.08560	1.2
267.06671	3.6
267.10135	35.9
268.07516	0.6
268.10532	1.8
269.08075	1.2
269.11746	0.8
277.08627	1.3
279.10114	2.5
281.11777	1.0
283.09656	6.8
283.13171	1.7
284.10153	0.8
293.08310	1.0
293.11664	4.9
294.12289	0.6
295.09692	6.8
295.13028	1.0
297.07675	1.2
297.10886	0.7
310.08633	0.8
311.12741	28.4
312.13028	2.0
321.11218	1.2
327.12057	0.9
339.12253	44.2
340.12631	2.8
357.13293	100.0
358.13654	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	357.1328
Annotation	(+)-EI 1507-2
Peak:m/z	Relative Intensity
55.01861	1.2
55.05489	0.7
57.03423	0.8
65.03912	1.2
65.49526	0.4
67.05479	1.7
68.99777	1.4
69.03425	0.6
69.39794	2.2
70.16415	0.4
71.04979	0.5
79.05476	1.5
81.07046	1.2
83.04953	0.4
91.05473	3.2
93.03377	1.0
93.07031	1.9
95.04959	3.7
95.08585	3.0
97.02888	0.6
97.06544	0.8
97.10168	0.5
99.08072	0.5
105.03391	0.7
105.07011	1.6
107.04935	1.5
107.08576	1.2
109.02865	0.7
109.06511	0.7
111.04416	0.7
114.09167	0.8
115.05434	0.4
119.04925	2.8
119.08567	2.0
121.02863	29.1
121.06488	1.0
122.03225	0.5
123.04395	1.1
123.08029	2.6
125.05983	1.0
129.07016	0.5
131.04909	0.7
131.08530	0.9
133.06508	1.2
135.08035	0.9
137.02347	0.8
137.05927	2.3
139.00253	1.3
139.03918	1.1
141.05527	0.6
144.07893	0.4
145.02834	2.1
147.04399	2.7
147.08037	2.1
149.05984	2.9
151.03909	0.6
151.07565	1.2
159.07933	0.5
161.05978	0.8
163.03909	3.4
163.07613	0.6
165.05490	2.5
165.09157	0.7
169.08548	0.8
175.07523	4.0
177.05464	1.5
187.07494	1.1
191.07027	0.7
193.04965	5.3
193.06705	0.6
193.08531	3.0
195.06462	0.7
203.07024	0.9
213.09071	0.6
215.07013	2.7
219.06552	2.4
226.06229	1.3
227.07043	2.2
237.07512	2.1
238.10895	0.4
239.07024	9.7
240.07645	1.2
241.08548	2.6
243.06526	0.8
251.07060	1.0
252.07773	3.2
253.08618	1.5
254.05618	0.8
255.06479	7.7
255.08705	3.0
256.06821	0.8
265.08453	1.1
265.12415	0.5
266.08954	0.4
267.06656	2.8
267.10138	37.5
268.07507	0.8
268.10532	2.8
269.08157	1.3
269.11743	0.7
277.08530	1.0
279.10190	1.7
280.10495	0.5
281.08463	0.5
281.11661	0.7
283.09644	6.2
283.13242	2.1
284.09985	0.5
292.07382	1.1
293.08383	1.0
293.11627	5.5
294.12070	0.7
295.09637	7.0
295.13290	1.8
296.09991	0.6
297.07501	1.3
297.11313	0.8
311.12756	28.0
312.13147	2.1
321.11252	2.1
339.12259	45.7
340.12494	3.1
357.13287	100.0
358.13474	6.9
358.17136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
51.41196	0.6
51.70937	0.6
55.01875	0.6
55.05497	1.0
61.89606	0.6
65.03932	0.6
68.99792	1.5
69.87119	2.0
79.05478	1.4
91.05489	1.6
93.07021	0.9
95.04962	1.0
98.23479	1.1
102.16325	0.5
105.03349	0.6
105.07029	1.0
107.04998	1.1
107.08607	1.0
111.04430	0.8
117.84869	0.6
119.04979	2.2
119.08592	1.5
121.02864	21.1
121.03754	1.1
121.06508	0.7
123.04443	1.0
129.06998	0.8
133.06477	0.7
137.05980	2.1
145.02832	1.9
147.04410	2.7
147.08058	2.6
149.06010	1.5
157.06491	0.6
161.05995	0.7
163.03911	2.1
165.09082	0.7
175.07565	4.1
177.05421	1.0
193.08609	2.9
203.06905	0.7
210.46178	0.6
215.07042	2.7
223.73352	0.6
227.07007	2.1
239.07013	8.3
241.08691	1.7
243.06667	0.9
251.06958	1.1
252.07843	2.6
253.08601	1.6
255.06523	7.6
264.07938	0.9
265.12631	1.0
267.06726	2.5
267.10147	32.5
268.07422	0.6
268.10498	1.3
269.08109	0.9
277.08682	1.1
279.10187	2.2
281.11728	0.9
283.09674	5.8
283.13235	1.8
292.07233	1.3
293.08298	1.1
293.11603	5.2
295.09674	5.0
295.12955	1.3
297.07660	0.7
297.11093	0.7
309.11139	0.8
311.12753	26.8
311.16364	1.3
312.13425	1.3
321.11099	1.4
329.13840	0.9
339.12259	37.8
340.12668	3.4
357.13327	100.0
357.18692	14.0
358.13715	7.0
358.18240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	1'-epi-Sauchinone
Peak:m/z	Relative Intensity
53.30676	0.3
55.01856	1.2
55.05306	0.3
55.05510	3.8
57.07073	0.7
65.03920	1.9
67.01859	2.0
67.05492	1.1
68.99466	0.4
68.99792	3.4
69.03422	0.4
69.07049	1.2
69.39314	1.4
79.01868	0.6
79.05481	2.0
81.03417	0.4
81.07029	1.1
91.05480	2.2
93.03406	0.5
93.07032	1.3
95.04974	2.6
95.08613	0.8
97.02863	0.4
97.10165	2.3
105.03383	1.3
105.07021	1.0
107.01328	0.5
107.04935	2.4
107.08593	1.9
109.02865	0.9
109.06503	0.7
109.10100	0.4
111.04402	1.4
118.04202	0.4
119.04925	3.1
119.08563	1.0
121.02854	42.9
121.03834	1.4
122.03180	1.1
123.00804	0.3
123.04439	0.8
125.02337	0.5
125.09617	0.4
127.03877	0.6
129.07013	0.5
131.04913	1.0
131.08571	0.5
133.06499	0.6
135.04410	0.7
135.08015	0.4
137.02287	0.8
139.03885	1.0
145.02829	2.7
145.06470	0.6
147.04413	2.4
147.08035	1.0
149.09602	2.6
151.03860	0.7
153.05492	0.9
155.03424	0.7
157.06505	0.3
158.30760	0.3
159.07999	0.9
163.03877	5.7
165.06978	0.5
167.07053	0.4
169.06444	0.4
173.06036	0.6
174.32828	0.3
175.03935	0.7
175.07573	0.9
177.09084	4.2
181.06491	0.5
183.08041	0.7
183.10191	0.3
187.03865	1.2
193.06989	0.3
193.08615	2.4
195.10136	0.9
197.05951	1.4
199.07471	0.6
203.07030	0.4
211.07603	0.7
211.09447	0.6
213.05455	0.6
215.07164	0.3
217.04913	1.8
222.44044	0.3
223.07454	0.7
226.06192	1.3
227.07030	2.7
229.04883	0.7
231.06538	0.4
237.07454	0.7
239.07014	9.1
240.07683	1.2
241.04959	0.4
241.08504	2.1
242.05711	0.5
243.06509	1.2
247.05966	3.4
251.07106	0.8
252.07803	4.2
253.08536	1.5
255.06493	14.5
256.06946	0.9
257.08069	1.1
265.04938	5.1
265.08530	1.5
266.09302	0.7
267.06491	6.9
267.10083	1.2
268.06924	0.6
269.04483	0.3
269.08078	1.5
277.08569	0.6
278.05734	1.7
281.07901	0.3
283.06006	0.7
283.13266	1.4
291.06656	0.4
293.11642	3.5
295.13248	14.9
296.13547	1.0
311.12735	13.8
312.13153	0.7
313.14304	14.1
314.14648	1.4
321.11172	3.8
329.13727	1.0
334.19412	0.4
339.12302	2.7
357.13272	100.0
358.13614	7.5
368.79532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Afzeliixanthone B
Peak:m/z	Relative Intensity
56.49052	0.6
67.05502	0.7
68.99786	1.4
69.03403	0.8
69.58522	2.1
79.05479	1.0
81.03421	0.6
86.04316	0.6
91.05481	2.7
93.07026	1.0
95.04981	1.6
105.07030	0.6
107.04952	1.2
117.07011	1.0
119.04936	2.6
119.08564	2.6
121.02861	27.4
121.06540	0.9
123.04451	0.8
140.19482	0.6
141.05473	1.0
145.02847	2.4
145.06427	0.7
147.08044	2.6
149.06013	2.0
163.03922	3.8
165.09109	0.9
175.07529	4.5
177.05516	1.2
187.07503	0.9
193.08615	3.7
215.07103	3.5
226.06264	1.2
227.06960	1.9
239.07008	11.7
240.07686	0.9
241.08612	2.1
243.06555	0.8
251.07112	1.6
252.07849	4.5
253.08533	2.1
254.09409	1.3
255.06494	10.2
256.07013	0.7
265.12082	0.8
267.06668	4.1
267.10132	46.2
268.07501	1.3
268.10507	2.8
269.08096	1.6
269.11563	0.7
277.08691	1.4
279.10123	2.4
281.08121	0.9
281.11682	1.4
283.09665	7.6
283.13260	2.5
292.07333	1.0
293.08319	1.3
293.11722	6.8
295.09659	6.6
295.13205	1.8
297.07602	1.7
311.12747	36.9
312.13147	2.1
321.11203	1.3
339.12265	55.7
340.12570	4.6
357.13303	100.0
358.13696	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	357.1332
Annotation	Brosimacutin G
Peak:m/z	Relative Intensity
51.61049	0.9
53.03947	1.0
55.01874	2.9
55.05513	3.3
57.03425	1.1
61.26072	1.0
63.68470	1.1
65.03917	2.0
67.05499	7.9
67.60522	0.9
68.99786	6.9
69.03431	2.2
69.07062	1.9
70.08537	3.0
71.01366	1.4
72.21080	1.0
79.05484	6.9
80.23792	1.0
81.03415	2.6
81.07043	8.7
91.05478	12.7
93.01038	1.2
93.07052	8.1
95.01300	1.3
95.04972	8.5
95.08601	24.2
100.03880	1.0
102.50391	1.0
103.05443	1.9
105.07008	6.2
107.04946	10.0
107.08593	3.4
109.06532	4.4
109.10138	1.5
111.04419	2.3
115.00327	1.2
115.05418	2.7
117.07018	8.6
119.04942	9.9
119.08567	5.9
121.02865	5.0
121.06509	27.8
123.04440	1.9
123.08052	4.9
126.54157	1.1
126.77631	1.1
129.07001	1.9
131.04903	1.2
133.06541	1.8
135.08063	7.4
137.02362	3.1
139.03932	1.6
145.06493	9.0
147.04401	30.5
147.08031	8.6
149.02299	2.1
149.05969	7.8
151.03883	1.8
151.07495	1.8
154.99820	1.6
155.05992	1.2
161.06003	1.1
163.07545	11.2
165.05499	1.4
167.03429	1.3
173.05984	8.4
175.07562	3.0
177.05415	2.2
191.07028	8.9
193.08633	2.1
201.05475	2.3
204.92879	1.2
205.83411	1.1
209.08122	3.4
217.08829	1.3
219.06589	2.0
227.09203	1.2
237.07567	100.0
238.07941	4.4
255.08632	21.0
263.09244	7.9
311.12723	1.3
339.12164	1.8
357.13235	12.1
358.13602	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	357.133
Annotation	Brosimacutin G
Peak:m/z	Relative Intensity
53.03939	1.5
55.01867	3.5
55.05503	4.3
57.03440	3.0
65.03943	0.9
67.05501	9.9
68.55287	0.9
68.99788	8.8
69.03420	1.5
69.07047	2.1
79.05484	9.1
81.03426	1.3
81.07039	5.6
83.04972	1.9
85.02892	1.8
91.05466	10.9
93.07048	9.0
95.01342	2.1
95.04946	5.4
95.08596	35.9
96.39372	0.9
97.02894	1.1
97.06506	1.8
98.84828	0.9
103.05474	2.4
105.04520	1.1
105.07001	5.4
107.01308	2.1
107.04946	13.4
107.08595	5.3
109.02905	0.9
109.06509	3.8
111.00792	1.4
111.04482	1.1
115.05450	3.1
117.07007	7.5
119.04931	5.5
119.08569	4.1
120.05695	0.9
121.02874	5.0
121.05620	1.5
121.06490	30.5
121.07321	1.8
123.04456	1.8
123.08058	10.0
125.02354	1.1
128.06233	1.4
129.07045	1.6
131.04906	1.4
132.05640	1.2
133.06479	2.1
135.04510	1.3
135.08025	7.9
137.02342	2.5
145.06438	7.7
146.66786	0.9
147.04390	20.4
147.08063	3.1
149.02339	2.7
149.05978	6.4
151.03828	1.1
151.07523	5.0
159.04362	1.8
163.07523	7.7
167.03484	1.1
173.06007	4.5
175.07547	2.2
177.05417	1.0
181.08597	3.9
187.11076	1.2
191.07014	10.9
192.07263	1.0
193.08620	2.2
201.05464	1.6
209.08026	8.5
219.06406	1.6
233.04300	1.8
237.07550	71.6
238.07886	2.6
239.06946	3.0
245.08134	1.3
255.08618	100.0
256.09006	3.4
263.09161	4.7
273.07498	1.5
311.12634	2.8
339.12357	3.0
357.13220	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	357.1332
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01878	9.3
57.03416	3.8
65.03923	5.1
67.05482	6.5
68.99786	4.0
69.03425	2.7
76.48284	1.5
78.76396	1.4
79.05466	7.1
81.07028	5.5
86.09689	11.5
91.05468	9.6
93.03351	4.4
93.07018	6.2
94.04136	3.5
95.04949	10.9
95.08597	12.0
97.02883	3.7
97.06478	1.8
99.08086	2.1
103.05437	5.2
105.04502	1.8
105.07005	7.0
107.04915	6.1
107.08578	3.6
109.06500	1.6
111.04401	4.7
115.05428	4.5
117.03329	2.4
117.06999	3.3
119.04897	7.5
119.08543	7.2
120.72954	1.5
121.02863	42.7
121.06466	6.4
122.03600	5.8
123.04418	11.0
123.08064	8.2
125.05975	7.4
125.77528	1.8
131.04893	5.4
132.05653	1.6
133.06450	6.5
135.04408	4.3
135.08125	2.2
137.02446	1.5
137.05975	40.7
139.00240	11.1
139.03883	3.5
143.04874	2.1
144.05565	1.4
145.02812	7.1
145.06381	2.9
146.03554	3.2
147.04401	18.2
147.08018	4.6
149.05988	12.4
151.03801	1.5
151.07466	3.5
155.04929	2.4
159.07990	4.2
159.12007	1.6
161.05968	13.0
162.06641	2.1
163.03897	18.6
163.07480	2.6
164.07684	1.6
165.05499	23.9
165.06935	3.8
165.98346	1.7
167.06973	2.4
169.08559	3.2
169.53281	1.5
172.05098	1.8
175.07558	8.1
176.07832	1.5
177.05443	8.2
178.07692	2.9
179.08563	1.7
185.05910	2.0
187.07430	4.7
189.06934	6.0
190.07660	6.4
191.06946	3.0
191.08466	8.2
193.04958	16.8
193.08594	2.3
199.17972	4.0
202.07721	2.7
203.06934	6.3
205.06487	3.0
206.07184	2.1
207.07944	4.8
208.08740	1.7
210.06638	2.9
215.06911	5.2
217.06442	2.2
218.07242	12.4
219.06183	11.1
219.08357	10.8
220.08649	1.8
221.05803	2.7
221.09634	1.9
222.06590	2.8
223.07492	2.6
227.06967	2.5
229.06412	4.3
233.09496	2.7
234.06636	5.2
235.07515	9.2
236.08250	4.8
237.05400	2.4
237.07530	6.0
239.07033	7.3
240.07492	2.9
241.08406	2.4
245.06047	3.0
246.06729	7.6
247.07497	13.7
248.08272	3.1
249.05276	2.1
249.09109	8.4
250.06140	2.3
251.07092	3.8
251.10553	5.8
252.07701	6.5
253.08229	1.7
255.06340	5.6
255.08595	15.7
257.05936	2.6
261.09143	11.6
263.06915	9.5
264.07809	8.1
265.08380	4.7
265.11865	1.7
266.09073	2.4
267.06900	1.9
267.10132	39.2
268.10532	8.9
269.07999	5.1
269.11508	3.4
274.06122	5.6
275.06815	5.1
276.07672	2.0
277.08582	11.3
278.09100	5.9
279.07327	2.0
279.10144	12.9
281.11163	2.2
283.09634	3.4
283.13049	1.7
285.10907	4.6
289.08521	14.8
290.09058	4.4
291.06543	2.1
292.07217	2.5
293.11588	6.8
294.08661	3.7
295.09546	12.7
296.09924	2.1
297.07629	2.4
297.10980	2.2
306.08890	2.7
307.06418	2.1
307.09656	31.2
308.09998	3.6
309.11060	6.8
311.09241	2.4
311.12656	24.1
312.13342	2.3
313.10294	3.3
321.11206	23.6
322.11520	2.0
327.12210	11.9
329.13504	1.7
339.12180	58.4
340.12390	5.2
357.13138	100.0
358.13376	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	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
51.02728	0.4
51.80053	0.4
51.94208	0.4
52.14657	0.4
55.01860	0.7
55.05491	0.8
65.03922	0.6
66.42482	0.4
67.05488	1.0
68.99789	1.6
69.03431	0.6
69.20125	1.4
69.20514	0.7
71.44086	0.4
79.05487	1.4
81.07046	0.8
91.05489	2.2
93.07034	1.7
93.61714	0.4
95.04963	1.1
95.08609	1.6
96.28175	0.4
97.02876	1.0
97.10173	0.5
98.22661	0.9
105.03384	0.7
105.07017	1.1
107.04939	1.3
107.08577	0.8
111.04444	0.7
119.04922	2.6
119.08572	1.9
121.02858	21.9
121.06479	1.2
121.76010	0.5
122.03217	0.6
123.04422	0.5
123.08042	1.4
125.06024	0.8
129.07076	0.5
131.04916	0.6
131.08548	0.7
133.06485	1.3
137.05988	0.6
139.00253	1.2
139.03909	0.5
141.05499	0.8
141.11734	0.4
145.02837	1.8
147.04419	2.4
147.08052	2.0
149.05978	1.7
149.09628	0.6
151.03828	0.5
151.12663	0.4
161.06033	0.5
163.03889	3.1
163.07550	0.5
165.05478	1.0
167.07080	0.9
175.07545	3.5
177.05484	0.6
183.06505	0.4
183.10222	0.6
189.05574	0.7
191.07030	0.7
193.05002	1.8
193.08574	3.3
203.07040	0.7
209.05928	0.4
209.07921	0.5
211.09607	0.6
215.06958	2.1
219.06508	1.0
220.08723	0.4
221.08037	0.7
222.06792	0.6
226.06244	1.1
227.07082	2.2
227.09056	0.8
237.07597	1.4
239.07018	9.0
240.07666	1.0
241.08577	1.7
243.06543	0.7
247.09662	0.7
251.06956	1.1
252.07750	3.2
253.08521	2.2
254.05518	0.4
254.09586	0.6
255.06459	8.0
255.08704	1.1
265.08679	0.9
267.06677	3.5
267.10123	36.3
268.07422	0.8
268.10550	1.7
269.08118	1.1
269.11560	0.4
277.08633	1.3
279.10086	2.2
281.08185	0.8
281.11646	1.1
282.08795	0.4
283.09634	5.7
283.13184	1.8
292.07257	0.6
293.08304	0.8
293.11615	5.5
294.11926	0.6
295.09656	6.1
295.13254	1.6
296.10498	0.6
297.07660	0.9
297.11221	0.9
311.12744	26.8
312.13147	1.7
321.11148	1.6
325.10617	1.3
329.13809	0.7
339.12244	42.4
340.12625	2.6
357.13287	100.0
358.13638	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	(2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone
Peak:m/z	Relative Intensity
55.01871	0.4
65.03938	3.6
67.05472	0.3
68.99770	0.4
69.60757	1.1
71.01292	0.3
79.05498	0.5
86.09692	0.8
91.05462	0.9
93.03373	0.7
93.07007	0.4
95.04963	1.5
98.22747	0.5
105.07012	0.6
107.04931	0.5
107.08596	0.4
109.06538	0.5
111.04430	3.3
116.48972	0.3
117.06947	0.3
117.26468	0.3
119.04951	1.3
119.08604	0.7
120.55000	0.3
121.02859	100.0
121.03892	4.0
122.03160	2.0
123.04406	0.3
131.05035	0.4
131.08554	0.4
133.06477	0.4
135.08093	0.4
137.05963	2.3
139.03915	0.5
141.05400	0.3
145.02789	0.5
147.04445	0.6
147.08043	0.8
149.05995	0.6
149.09596	0.5
151.03912	0.8
156.41306	0.4
161.05984	0.4
163.03900	1.6
167.93228	0.3
175.07545	1.1
177.05487	0.8
187.07506	0.4
191.10628	0.8
193.08621	1.4
203.07060	0.7
211.09601	1.3
215.06992	0.4
217.08589	0.4
219.10136	11.2
220.10480	0.6
221.07962	0.4
227.07045	0.6
237.11205	0.9
239.07011	1.3
239.09164	0.5
243.06668	0.4
247.07161	0.3
251.07245	0.4
252.07907	0.5
255.06525	0.6
264.07706	0.4
267.10159	2.2
277.08508	0.4
279.10233	0.5
283.09799	0.4
283.13306	0.5
289.08557	0.3
293.11722	0.9
295.09521	0.8
307.09793	0.8
311.12717	3.8
321.11166	0.9
329.13727	0.7
339.12247	10.6
340.12735	0.8
357.13272	22.5
358.13705	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	357.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71828	0.1
69.76936	0.3
69.77290	0.3
70.06586	0.3
72.38882	0.2
83.64716	0.1
86.06063	100.0
87.05862	0.2
87.06379	1.4
87.84900	0.1
98.06055	4.3
103.05456	1.1
110.06088	0.4
123.04424	0.2
125.07109	0.2
126.05500	3.1
131.04924	2.4
132.05226	0.2
140.07077	0.7
162.28438	0.1
166.04982	0.2
167.02113	0.4
168.02954	0.5
168.06543	0.4
174.08786	0.2
178.94797	0.2
179.03503	0.2
183.37564	0.2
194.04494	0.2
207.02887	1.1
208.03191	1.1
212.05533	0.5
218.04460	0.2
221.04448	0.5
235.02403	0.3
235.07141	0.8
236.02829	0.5
236.05505	5.6
237.05771	0.2
249.04265	0.1
252.05066	0.3
253.05441	0.4
272.09216	0.2
311.09222	0.2
323.08914	0.2
339.13428	1.9
340.11807	7.3
341.12018	0.6
345.26456	0.2
357.14423	4.0
358.13040	0.6
383.15479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3149
Annotation	stellatic alcohol
Peak:m/z	Relative Intensity
53.03945	3.7
55.05507	25.6
57.07068	7.2
67.05497	34.0
69.03419	3.3
69.07066	34.2
69.67892	2.5
70.06592	6.7
71.04996	5.5
71.08647	2.7
73.40661	2.8
79.05484	26.4
81.07053	100.0
83.08620	14.9
85.06538	6.9
88.07613	8.0
91.05444	20.2
93.07039	54.8
95.04972	7.3
95.08601	86.1
97.06532	6.5
97.10168	4.5
99.08086	5.7
101.41751	2.8
102.09204	2.9
105.07030	36.3
106.08691	3.6
107.08586	68.0
109.10151	61.1
111.08080	17.0
111.11746	5.0
117.07028	5.0
119.08590	33.8
121.10133	49.9
123.11703	37.2
124.43117	2.7
125.09660	5.8
131.08577	12.4
133.10118	28.7
135.11662	26.9
137.13254	10.7
139.11179	4.7
145.10118	18.3
147.11674	25.8
149.13257	26.9
151.11157	5.0
151.14954	3.1
153.06898	2.4
157.10167	3.8
159.11661	18.2
161.13222	18.6
163.14812	14.7
171.11807	3.2
173.13283	14.2
175.14806	16.3
177.12772	5.5
177.16374	12.3
179.14305	3.4
181.15762	4.4
187.14752	13.2
189.16301	13.7
191.17902	4.4
195.17574	3.0
199.14883	3.0
201.16376	8.5
202.61806	2.5
203.17957	11.8
207.17435	3.5
215.17998	10.0
217.19370	6.6
219.17567	4.1
229.19495	4.2
231.21225	3.7
243.21072	4.3
247.20573	3.7
269.03525	2.9
271.24188	3.7
283.24338	5.0
313.29095	4.1
339.30441	10.4
357.27072	5.2
357.31485	83.0
357.35440	6.6
358.32269	6.7
358.36752	34.4
372.56213	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	357.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47355	2.2
53.03961	2.8
55.05516	15.9
57.07078	11.2
58.05445	2.5
58.40590	2.1
67.05508	28.1
69.07069	23.1
69.20152	7.5
69.20571	7.6
70.06596	10.6
71.08636	4.4
72.04545	4.4
76.31037	2.5
77.92887	2.5
79.05499	21.6
81.07056	81.5
83.08630	11.1
85.06553	11.1
86.09697	2.6
88.07631	50.9
88.08130	4.3
89.37484	2.2
90.79117	2.3
91.05498	10.0
93.07042	22.2
95.04985	3.1
95.08607	53.1
96.08907	2.8
96.25758	2.8
97.10214	4.4
99.08115	4.9
105.07029	32.4
106.08678	5.5
107.08588	31.5
109.10168	31.9
115.55598	2.5
116.07100	43.5
117.07068	3.7
118.08681	11.3
119.08598	29.0
121.10164	27.8
123.11709	13.8
131.08578	13.8
133.10143	24.0
133.66109	2.4
135.11690	16.4
137.13330	4.0
143.08574	4.1
145.10117	22.5
147.11714	17.2
149.13235	12.8
157.10083	3.8
159.11707	36.6
161.13274	14.5
163.14896	8.5
163.24957	2.5
171.11739	7.5
173.13248	20.7
175.14925	8.8
185.13356	4.9
187.14774	14.8
189.16440	7.8
190.09911	2.4
199.14932	4.2
201.16417	11.0
203.18051	3.2
213.16367	6.6
215.17905	15.0
227.18138	3.9
229.19563	12.9
235.20663	2.6
240.23184	27.0
242.24792	18.0
243.21104	3.7
247.20728	3.1
261.22260	3.4
275.23730	2.9
287.23755	4.1
301.25427	4.0
339.30771	3.6
357.24155	11.5
357.31564	100.0
357.35666	24.2
358.31992	9.1
358.36911	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06591	11.4
72.08147	6.9
77.20066	3.3
84.08129	15.0
86.09692	5.4
90.73309	4.5
110.62277	3.4
129.10237	8.3
135.71378	3.5
143.07863	3.2
170.22345	3.3
184.91219	3.4
197.12639	4.2
240.36162	3.4
244.16240	3.0
267.32092	3.8
310.02631	3.5
357.25101	6.3
358.04599	6.5
358.08969	100.0
358.25104	5.8
359.09088	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
55.05465	1.3
56.05036	10.5
62.50795	1.0
63.72909	1.1
65.03922	2.4
67.05505	5.6
68.99788	4.1
69.61027	4.3
69.95071	1.1
70.06588	12.4
72.08159	1.5
79.05486	4.4
81.03378	1.3
81.38448	1.2
81.53188	1.1
83.01312	2.3
83.04974	2.1
84.08163	2.0
85.15035	1.3
91.05473	5.3
93.03399	3.7
95.04970	11.2
96.08102	3.7
98.23427	2.2
103.05463	14.6
105.03401	6.5
105.07024	1.6
107.04945	3.6
109.02879	1.5
110.06036	27.5
111.04449	1.5
112.07582	3.9
119.04933	1.4
120.04452	1.6
121.02868	2.2
122.05982	1.4
123.04430	10.2
124.07554	1.8
128.03441	1.6
131.04915	45.6
133.02843	6.1
140.07056	2.2
145.02817	2.9
149.02228	1.1
150.05518	2.0
151.00336	1.1
151.03889	6.7
161.02359	2.3
162.05493	2.5
163.03870	10.1
164.07123	1.1
165.01791	3.1
168.06470	5.6
168.99878	1.0
169.01268	7.2
172.03946	2.1
173.02325	3.0
173.05936	1.4
174.05539	1.7
175.03856	1.9
179.03398	13.0
180.06598	3.6
181.01303	3.1
183.04457	3.0
189.01846	2.5
190.01300	2.8
190.04977	5.1
191.03380	19.5
192.06601	7.4
193.04996	4.6
199.02415	2.6
200.03360	3.4
201.01781	10.3
207.02881	65.6
208.02823	1.4
208.06039	15.2
209.04431	5.6
210.07603	5.9
214.30011	1.2
218.04472	13.2
219.02870	21.0
221.09660	1.6
225.03976	5.4
236.05518	50.0
237.03909	13.1
237.05951	2.7
238.03479	1.9
243.10127	1.7
254.06580	9.8
256.04620	3.2
267.10275	1.7
269.08246	1.5
276.10254	2.7
278.11801	1.6
285.11017	1.3
294.11191	4.1
295.09573	3.2
296.12793	7.0
304.09604	1.7
305.07983	7.1
311.09134	23.6
312.12289	5.7
322.10751	16.5
323.09076	4.7
340.07706	2.3
340.11768	46.1
341.12073	3.7
342.09991	1.7
358.12827	100.0
359.13101	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	358.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
56.05025	1.5
57.03413	1.8
65.03927	0.6
67.05467	1.3
68.38203	0.6
68.99776	2.5
69.03416	0.7
69.70936	2.1
70.06592	4.0
79.05471	2.6
79.16571	0.5
81.03404	0.7
81.07043	1.3
83.01350	0.9
83.55343	0.6
91.05484	4.6
95.04960	4.4
95.95392	0.6
96.04455	1.0
97.06515	1.4
98.84602	0.6
99.80892	0.5
103.05450	2.5
105.03369	1.8
107.04955	6.6
109.02851	0.9
109.06506	2.1
109.96295	0.7
110.06038	3.7
112.49403	0.5
119.04940	8.0
121.02827	0.7
123.04417	2.7
124.07573	1.1
125.05915	1.3
128.64888	0.6
131.04897	4.8
133.02844	0.8
135.04387	1.7
137.02313	1.0
137.05980	4.8
139.03931	0.6
147.04401	20.7
148.04729	0.7
151.03914	1.2
153.05463	0.8
163.03915	1.6
165.01872	1.6
165.05443	2.1
169.01305	2.4
174.05470	1.1
175.03905	11.3
177.05511	0.8
179.03409	1.9
181.01266	4.4
183.02864	1.6
187.03870	0.8
191.03427	1.8
192.06549	1.8
193.01350	0.7
193.04935	13.1
195.02873	3.9
195.06528	1.3
199.02376	1.8
201.01891	0.8
202.05061	1.7
203.03394	5.2
207.02878	4.8
208.06081	1.1
209.04483	5.3
211.02333	1.6
212.09241	0.8
218.04453	0.9
219.02879	1.5
220.06055	5.2
221.04437	100.0
222.04817	4.0
236.05469	3.9
237.03864	1.4
238.07089	42.4
239.05412	9.4
239.07426	1.3
254.06604	1.4
260.36905	0.7
299.09290	1.5
305.08170	0.7
311.09079	2.1
312.12369	0.9
322.10690	1.4
323.08798	0.9
340.11792	4.2
341.10168	11.5
342.10703	1.3
358.12836	66.5
359.13046	3.8
375.31549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05011	0.4
55.01857	0.5
55.05477	0.5
56.05005	0.4
57.03413	1.5
67.05484	0.7
68.99766	1.9
69.03397	0.6
69.62072	1.1
69.62466	0.7
70.06559	2.1
76.88198	0.4
79.05486	2.2
81.07050	1.1
83.04987	0.6
84.30820	0.4
85.19233	0.4
85.86209	0.4
87.03337	0.4
91.05475	3.4
94.55294	0.4
95.01344	0.6
95.04958	2.3
97.06510	1.3
103.05446	1.5
105.03362	1.3
107.00642	0.4
107.04935	5.4
109.06482	1.0
110.05326	0.4
110.06044	1.5
110.89690	0.4
119.04938	6.9
121.02827	1.0
123.04385	1.5
125.05945	1.6
126.02043	0.4
131.04938	4.3
133.06473	0.5
135.04382	1.2
137.02290	0.5
137.06010	3.4
147.04393	17.0
148.04668	0.5
149.02278	0.4
151.03911	0.5
151.07355	0.4
153.05432	0.9
157.02791	0.6
163.03897	0.6
165.01828	0.9
165.05550	2.2
165.06779	0.5
169.01329	1.4
175.03894	8.1
177.05511	0.4
179.03346	1.5
181.01311	2.4
183.02821	1.7
191.03433	0.9
192.00465	0.5
192.06540	1.0
193.01337	1.1
193.04958	10.1
195.02864	4.0
195.06523	0.8
199.02304	1.2
202.05061	0.9
203.03386	4.7
207.02879	1.2
209.04460	4.3
210.01530	0.4
211.02368	0.8
212.09161	1.0
213.77971	0.4
220.06035	2.8
221.04434	100.0
222.04721	3.4
236.05463	1.4
238.07094	12.3
239.05446	9.7
239.07616	0.7
240.05899	0.5
299.09122	1.3
305.07910	0.9
311.09030	1.0
313.10480	0.4
322.10663	0.8
323.09119	0.9
329.10150	0.7
340.11743	1.8
341.10162	14.2
341.14075	0.9
342.10461	0.9
358.12836	59.0
359.13055	3.8
359.23227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
56.05025	2.9
57.03442	2.7
65.03940	1.2
67.05493	2.4
68.99798	2.0
69.67053	2.5
69.67458	1.5
70.06587	7.1
79.05491	2.8
81.07071	1.0
83.01342	1.0
91.05482	5.7
95.04956	6.5
97.06511	1.5
98.23429	1.0
103.05455	8.0
105.03382	1.8
107.04951	5.1
109.02857	2.3
110.06046	11.8
119.04942	6.5
123.04425	3.0
125.06048	1.4
130.20668	0.9
131.04922	12.1
133.02815	1.2
135.04422	2.3
137.02338	0.8
137.05988	2.9
147.04404	8.9
151.00288	1.1
151.03903	2.7
151.89868	1.0
153.05484	1.2
153.89351	0.9
163.03938	2.0
165.01768	1.1
165.05531	1.7
168.06474	1.1
169.01305	2.8
170.08150	1.6
171.04416	9.4
175.03885	8.7
179.03412	3.7
181.01315	3.3
183.02930	1.3
190.05026	2.0
191.03404	4.7
192.06578	2.3
193.04962	14.1
195.02905	3.5
195.06595	2.1
195.47784	0.9
196.52861	0.9
199.02440	1.2
201.01854	1.2
203.03355	4.7
207.02892	15.6
208.06100	3.2
209.04462	6.5
210.07623	1.5
218.04462	3.2
219.02934	4.5
220.06007	3.1
221.04440	100.0
222.04782	4.8
225.03903	1.6
236.05534	11.9
237.03897	3.1
237.09070	3.0
238.07069	14.8
239.05405	6.3
249.09206	0.9
253.04974	3.4
254.06755	1.6
267.06528	2.4
277.08588	1.7
294.05157	1.1
294.11493	1.1
295.06281	1.7
295.09644	4.5
297.07657	1.5
299.09070	2.0
305.08099	3.7
311.09140	6.2
312.12418	1.5
322.10733	5.1
323.09088	30.4
324.09485	2.1
340.11777	23.6
341.10049	11.8
342.10602	1.5
358.12827	91.8
359.13144	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	358.1284
Annotation	Penicidone C
Peak:m/z	Relative Intensity
52.42226	1.1
55.01859	4.3
56.05035	10.3
65.03941	2.0
67.05492	4.5
68.99796	2.5
69.03418	1.7
69.26713	6.4
70.06592	12.6
70.52261	1.0
79.05482	4.3
83.01349	1.8
84.08138	1.6
86.06061	6.0
87.04475	8.6
91.05466	6.3
93.03396	4.5
93.32168	1.2
94.06553	1.3
95.04964	7.5
96.08130	2.9
98.06059	12.9
98.23428	2.4
103.05463	17.9
105.03407	6.3
105.07009	1.5
107.04939	2.8
109.02883	1.8
110.06036	25.7
111.04407	1.3
112.07586	2.8
119.04936	1.7
121.02869	1.5
123.04439	8.3
126.05524	13.1
131.04919	41.7
132.05289	2.3
133.02855	4.6
135.04373	1.5
140.03421	3.4
140.07072	4.5
145.02850	1.9
147.04379	1.6
151.00287	2.3
151.03909	4.5
161.02324	2.8
162.05460	2.4
163.03900	10.6
165.01817	2.2
167.02129	9.3
168.02919	21.5
168.06573	7.8
169.01283	5.9
172.03839	2.7
173.02353	2.7
175.03918	2.8
179.03384	10.9
180.06540	4.7
181.05013	2.3
183.04437	2.6
185.03206	3.1
189.01860	2.9
190.05022	4.6
191.03383	13.6
192.06529	7.6
193.05019	1.6
199.02350	2.0
200.03453	2.4
201.01801	6.1
207.02869	55.0
208.03171	1.7
208.06038	12.0
209.04498	5.7
210.07625	8.4
212.05539	3.2
217.30338	1.2
218.04439	11.0
219.02896	16.3
221.04524	2.1
225.03931	5.6
233.09538	1.3
236.05519	68.5
237.03915	12.8
237.05957	1.7
254.06653	6.7
272.09152	8.8
276.10126	2.6
294.07684	1.1
294.11002	2.4
296.12775	3.6
298.10684	1.6
304.09641	3.3
305.08023	5.8
311.09091	23.8
312.09131	1.4
312.12341	6.3
322.10645	13.8
323.09122	4.0
331.31793	1.5
340.11765	68.8
341.12317	3.0
358.12802	100.0
359.13101	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	358.1284
Annotation	CHEBI:69406
Peak:m/z	Relative Intensity
56.05018	2.6
58.06573	2.5
67.05446	1.6
68.99766	2.0
69.65136	4.9
70.06555	4.9
72.48518	1.0
73.72672	1.2
81.12969	1.2
86.06017	2.6
87.04469	26.0
95.01291	1.4
95.04925	2.4
98.06053	44.9
98.23420	2.1
103.05473	12.9
105.03353	1.5
110.06028	7.2
111.03155	2.3
112.03886	1.8
112.07632	1.7
121.02858	1.4
123.04383	1.9
126.05511	35.4
127.05821	1.2
131.04918	43.6
132.05170	4.2
133.05382	1.4
139.02551	2.3
140.03416	11.8
140.07069	5.6
151.00195	1.6
166.04831	1.4
167.02153	27.1
168.02913	60.8
168.06593	7.9
169.01222	2.0
177.01752	1.4
179.03241	1.2
180.06511	1.9
181.01169	1.5
185.03224	7.6
191.03316	3.1
194.04448	1.6
195.02754	4.5
207.02899	10.7
208.05887	3.5
209.04320	1.4
212.05463	7.6
218.04457	2.3
219.02864	3.5
233.55794	1.4
236.05527	77.3
237.03719	4.4
237.05904	2.8
254.06488	1.9
254.08893	1.7
271.08389	6.1
272.09158	37.6
273.09238	1.5
298.10474	3.0
311.08762	4.3
312.11938	1.4
322.10638	3.5
340.11801	100.0
341.12369	7.3
358.12473	43.6
358.15881	5.7
359.12894	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	358.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06292	1.0
51.57814	1.1
52.35314	1.1
55.01861	3.5
55.18879	1.1
56.05034	11.3
60.40622	1.1
65.03921	3.3
67.05497	5.8
68.99780	2.6
69.03429	1.1
69.92019	1.1
70.06585	14.8
76.59956	1.3
77.03928	1.2
79.05491	5.0
81.03419	1.6
83.01340	2.0
86.06055	29.4
87.06376	6.2
91.05466	5.0
93.03386	5.9
93.50742	1.3
94.06576	1.2
95.04959	10.3
96.08114	4.4
103.05460	17.8
105.03366	7.5
105.07011	2.4
107.04933	3.3
109.02831	2.7
110.06026	27.1
112.07555	3.0
119.04966	1.3
121.02874	2.1
122.06008	2.0
123.04413	9.0
131.04912	40.8
132.05235	1.7
133.02844	6.4
135.04388	2.6
140.07053	2.5
144.04485	1.3
145.02847	2.0
147.04369	1.9
151.03882	6.3
152.16444	1.2
161.02306	2.1
161.37292	1.1
162.05473	2.1
162.26924	1.2
163.03876	10.6
163.09750	1.2
165.01817	1.8
168.06522	4.1
169.01340	7.7
172.03886	1.8
173.02306	3.7
175.03938	2.7
179.03366	13.2
180.02898	1.6
180.06488	3.6
181.01297	2.7
181.04898	2.4
183.02879	1.6
183.04427	2.6
189.01820	3.6
190.05000	3.2
190.99675	1.3
191.03381	15.0
192.06502	7.5
193.04919	4.8
200.03384	2.3
201.01797	7.1
207.02866	60.3
207.04819	2.9
208.02567	1.8
208.05997	16.5
209.04361	8.6
210.07605	7.2
211.05878	1.9
213.05469	1.8
218.04453	12.8
219.02863	21.7
221.04425	3.7
225.03909	5.5
236.05489	51.2
237.03905	14.2
237.05905	3.0
249.09206	1.7
254.06555	11.0
267.10178	1.4
276.10190	4.2
278.11777	1.5
291.25113	1.3
293.08051	1.8
294.08054	1.3
294.11227	4.0
295.09439	2.0
296.12756	4.9
304.09531	2.7
305.08063	4.6
311.09082	24.4
312.09128	1.8
312.12204	6.6
322.10715	15.9
323.09106	4.8
340.07632	2.0
340.11752	45.5
341.12076	5.0
358.12775	100.0
359.14078	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	358.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
56.05040	10.4
65.03953	3.2
66.43785	1.6
67.05495	6.0
68.99781	5.2
69.66497	5.4
70.06590	16.2
79.05497	2.4
83.01304	1.6
89.03960	1.8
91.05485	4.6
93.03417	4.8
95.04962	13.1
96.08099	5.7
98.23468	3.1
98.62965	1.6
103.05458	19.2
105.03381	8.9
105.07028	2.8
105.49858	1.5
107.04977	4.0
110.06029	30.2
112.07607	4.4
117.03381	1.7
121.02866	2.2
122.06026	3.0
123.04459	8.9
131.04926	42.4
133.02876	5.5
137.02391	2.6
145.02863	4.1
151.00192	1.8
151.03891	5.7
162.01787	1.5
163.03897	10.1
165.07018	1.7
168.06500	4.1
169.01292	10.2
172.03998	2.1
173.02339	4.8
175.03922	2.1
177.50954	1.7
179.03389	9.5
180.06548	4.5
183.04402	2.9
189.01793	3.0
190.04984	4.7
191.03395	14.9
192.06488	8.6
193.05006	3.7
197.83612	1.6
200.03461	3.3
201.01781	9.5
207.02881	64.4
208.02673	1.8
208.06050	18.1
209.04420	4.0
210.07547	8.9
215.41394	1.7
218.04514	13.2
219.02914	20.1
225.03978	5.5
236.05522	51.9
237.03885	14.0
237.05936	2.1
238.03563	3.1
247.36368	1.7
254.06595	9.1
256.04581	2.3
276.10202	4.7
279.10214	1.8
294.11200	2.8
295.09628	1.9
296.12833	5.7
304.09457	1.9
305.08002	3.2
311.09088	26.3
312.12396	5.8
322.10770	12.3
323.09103	4.9
340.07672	2.6
340.11774	43.2
341.12164	3.5
342.09454	2.0
358.12820	100.0
359.13159	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	358.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.9
56.05035	8.3
62.28123	1.2
62.45918	1.2
67.05488	3.9
68.99796	2.9
70.06584	11.2
76.61638	1.2
77.03938	1.2
79.05474	3.9
83.01333	2.5
83.04940	1.1
84.08116	1.6
86.06055	13.3
87.06377	3.1
88.78703	1.0
91.05482	5.5
93.03392	2.4
95.04960	8.1
96.08112	4.0
98.22733	3.5
103.05451	12.8
105.03365	7.8
105.07020	2.2
107.04946	3.7
109.02874	1.5
110.06023	23.6
112.07586	3.2
120.04446	1.3
121.02872	3.4
122.06038	1.8
122.25992	1.3
123.04429	7.5
131.04913	33.7
132.05257	1.8
133.02834	5.5
134.05975	1.6
135.04393	2.4
140.07071	1.5
145.02817	2.1
151.03903	3.9
161.02315	3.3
163.03885	7.7
164.07047	1.6
165.01796	1.2
168.06584	3.7
169.01251	7.1
173.02325	1.5
175.03906	1.6
179.03378	11.0
180.06549	2.9
181.01292	1.5
181.04909	1.7
182.54546	1.2
183.04448	1.8
185.04729	1.3
189.01848	4.0
190.01289	1.5
190.04977	4.6
191.03363	14.4
192.06491	6.2
193.05029	1.6
195.02847	2.0
200.03409	2.4
201.01797	7.3
207.02866	49.5
208.03093	1.4
208.06052	13.1
209.04445	5.5
210.07642	6.0
211.02422	1.4
213.05609	1.4
218.04456	12.0
219.02843	17.9
221.04286	1.5
225.03970	4.2
236.05499	41.4
237.03871	12.2
237.05847	1.6
254.06535	9.1
269.08112	1.6
276.10217	4.2
277.08139	1.3
278.11685	1.6
294.11203	3.6
295.09760	2.5
295.13080	1.2
296.12830	5.9
297.11270	1.4
304.09677	3.4
305.08011	5.7
311.09064	25.9
312.12207	7.8
322.10693	17.5
323.08905	2.6
340.11755	38.0
341.12164	2.6
358.12796	100.0
359.13071	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	358.1283
Annotation	Toddaliopsin B
Peak:m/z	Relative Intensity
56.05023	3.7
63.68357	1.0
65.03929	0.9
67.05504	2.0
70.02948	2.5
70.06585	2.4
79.05473	1.1
81.03416	1.9
81.07052	1.0
83.03729	2.3
84.04461	0.9
85.97308	0.9
86.06054	3.2
87.04466	1.2
87.06419	1.3
91.05463	2.3
95.04949	1.9
96.08110	1.0
98.02386	1.2
98.06060	3.7
103.05440	2.9
105.03391	1.1
105.62917	0.9
110.06017	6.0
111.03185	9.2
120.04411	1.1
125.81997	1.1
126.01832	2.6
126.05519	1.7
131.04915	9.3
131.08588	1.1
131.38965	1.0
138.01884	1.7
138.05476	1.9
139.02628	5.7
141.94786	0.8
143.32288	1.0
145.10031	1.1
146.10434	1.1
149.02397	1.0
150.01814	1.8
151.23906	0.9
152.03436	2.0
154.16954	1.0
163.03935	1.4
166.05019	2.5
167.02129	87.1
168.02776	4.1
170.04562	1.2
179.03293	1.0
185.03177	51.6
186.03563	1.2
191.03308	1.9
194.04475	88.9
195.02931	0.9
195.04776	2.8
199.14899	1.1
207.02873	7.9
208.06068	3.2
209.04442	1.1
210.07637	1.1
212.05550	5.6
218.04471	1.7
219.02922	2.8
221.04523	2.4
222.03934	1.5
228.06612	1.0
229.07301	1.4
236.05479	11.5
237.03743	1.5
254.06598	1.2
256.09659	1.4
271.08371	65.0
272.08990	5.9
298.10709	100.0
299.11002	6.5
311.09277	2.7
316.08832	1.0
326.10275	4.5
340.11826	11.8
358.12845	38.0
358.20697	1.9
358.30652	1.0
359.13037	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55550	2.9
55.01862	7.0
56.96556	5.6
57.03434	25.1
61.02922	16.0
69.03429	34.3
69.96006	8.1
70.06586	24.7
71.01350	3.4
72.08142	11.6
73.02911	91.2
81.03407	7.9
84.04520	3.1
84.08134	17.6
85.02901	100.0
85.08457	3.5
86.09719	18.6
87.04469	5.9
91.03951	4.6
91.05784	4.0
97.02885	52.2
98.97571	11.0
99.04474	3.8
101.31032	3.1
103.03915	3.3
109.02850	6.5
109.11773	2.5
110.06084	2.8
115.03928	30.4
116.07135	2.8
116.98656	5.9
126.23406	2.5
127.03910	37.9
129.10268	15.9
130.10529	4.4
133.04959	36.1
145.04936	63.9
148.07561	3.0
150.07553	5.8
160.02798	3.6
163.05992	29.0
171.04340	2.6
174.04370	3.8
177.00954	3.4
184.07294	12.5
205.05655	3.1
209.10194	6.0
219.02017	4.4
223.06055	3.7
225.16814	2.7
241.07166	4.3
243.01701	2.8
259.08118	9.6
261.03070	8.2
274.97498	4.8
292.89838	9.1
295.10172	5.4
310.90894	6.2
316.09042	5.2
341.12384	5.1
358.11041	3.9
358.15311	4.0
358.25119	8.6
359.23886	9.4
375.14450	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	358.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	0.8
59.04995	100.0
60.05328	1.2
69.38718	3.9
70.06586	2.3
73.06549	1.9
86.09679	5.1
87.04445	4.8
89.06022	70.4
90.06359	1.2
95.08628	1.4
98.23435	1.6
103.03982	1.3
103.07570	76.7
104.07928	1.3
105.07053	1.1
107.04855	0.9
107.07039	1.1
109.10123	0.9
114.64440	0.8
116.07095	2.0
117.70868	1.0
121.02915	2.0
131.07021	1.0
133.08591	38.5
137.05948	1.6
138.06331	0.8
147.04353	1.4
147.10141	34.6
177.11201	11.3
191.12796	1.9
194.05342	1.2
221.13821	1.1
242.08940	1.2
253.16434	1.7
297.18964	1.8
341.21658	19.8
342.21921	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	7.5
57.65168	3.1
58.00323	2.9
69.24606	6.7
69.25017	12.3
75.35024	3.3
98.23556	5.9
98.97573	83.4
105.38481	2.9
112.13530	2.7
116.98622	43.0
134.99658	13.9
156.96638	4.9
174.97682	8.7
177.00981	6.1
190.95438	5.5
192.98685	9.3
193.22876	3.3
208.96527	3.9
214.95529	6.3
216.98647	51.5
219.02032	9.5
232.96509	21.9
234.99757	57.5
250.93956	5.7
250.97643	14.9
251.94592	4.6
256.96518	16.9
258.99750	22.1
261.00119	4.4
261.03082	11.8
263.02878	11.0
268.94827	6.2
274.94785	5.5
274.97681	32.7
275.97827	5.1
277.00821	30.4
283.00034	3.8
284.99863	4.8
292.94849	12.9
292.98679	7.8
293.95667	14.7
298.94327	5.3
298.97696	63.7
299.00891	5.3
299.97839	7.6
301.01022	5.8
303.00906	10.2
316.94980	48.1
316.98795	92.0
317.99002	8.1
334.95999	34.9
335.96378	4.7
340.98761	40.2
341.98917	7.2
358.99771	100.0
360.00018	9.9
376.97034	7.5
377.01166	7.4
383.01227	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	359.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	11.8
62.74476	1.1
68.66176	1.5
69.03427	1.4
69.07042	1.5
69.66920	1.8
70.06593	8.9
70.22982	2.9
70.23352	2.4
72.08154	6.5
84.08123	4.8
86.09700	18.4
98.97580	12.2
100.17379	1.2
105.00146	1.9
116.98600	5.4
122.07016	1.2
122.97254	1.6
123.01145	2.0
129.10223	2.4
132.10237	1.7
137.05951	1.4
140.49951	1.2
142.97510	1.7
143.11751	2.7
151.04282	1.9
152.63039	1.5
155.08107	1.7
158.99597	2.2
171.11310	1.6
179.03760	7.0
185.04819	9.5
197.04860	42.7
197.12793	1.5
201.60403	1.6
203.05923	12.8
215.05899	50.1
216.06314	1.5
221.06834	1.6
233.06937	2.8
239.05899	10.0
257.06937	11.2
359.10135	100.0
359.17120	3.2
360.10468	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	359.1124
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
58.43570	0.5
58.99590	0.5
62.42100	0.5
64.52962	0.5
72.58217	0.5
94.77111	0.5
105.02339	0.4
108.02097	4.9
110.06050	0.6
119.04960	0.7
121.02895	0.6
131.04898	1.3
136.01563	2.0
137.02318	1.6
147.04431	2.5
148.05179	0.8
153.01822	1.0
154.02591	2.2
162.06755	16.0
163.07527	5.3
165.05473	4.2
168.02885	2.4
169.03300	1.7
181.06505	0.8
183.02914	1.6
183.08064	0.6
197.06032	0.5
199.07521	1.8
207.02881	0.7
209.02812	0.7
211.07585	2.1
226.06241	0.8
227.06996	2.2
237.05687	1.4
239.07007	1.2
241.08641	0.7
254.05739	1.8
255.06525	1.9
256.03461	0.7
270.08835	3.2
273.09442	1.8
282.05161	4.1
283.05933	1.4
298.08350	36.1
299.05527	1.3
299.08691	3.0
299.12021	0.7
300.06244	0.7
301.07150	1.3
310.04752	2.9
314.07730	0.7
315.08636	2.5
325.06982	0.8
326.07809	27.9
327.08258	1.3
328.05771	1.1
329.06567	2.3
341.08353	1.2
341.12216	1.5
343.08118	9.9
344.08893	10.1
359.11212	100.0
360.11624	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	359.1125
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
55.01869	0.7
59.99265	0.4
67.05495	0.8
72.08655	0.5
72.24241	0.4
72.92371	0.4
79.05492	0.4
81.07050	1.2
83.01357	0.4
85.02918	0.6
87.04460	1.1
91.05476	0.6
93.07065	0.5
95.04995	0.6
105.07047	0.6
107.08565	0.5
109.10130	0.9
113.02351	1.2
133.06487	6.7
134.41028	0.4
135.04417	5.2
137.02330	0.4
138.03098	0.7
143.24786	0.4
146.10596	0.4
147.11758	0.5
149.05969	0.6
162.06734	0.9
166.02644	0.7
166.99731	0.4
169.01337	10.3
197.00819	11.5
197.02551	0.9
199.07521	0.5
202.06332	0.8
205.56836	0.4
214.06197	1.3
215.01884	7.4
227.05368	0.8
230.05806	1.1
255.06500	1.3
266.43069	0.4
270.08911	0.5
282.05215	0.6
283.06067	2.2
286.04749	4.8
297.07581	2.6
298.08325	4.6
299.05399	0.4
299.08560	0.7
300.06372	1.0
301.07065	3.0
309.07382	0.6
310.04880	0.5
311.05484	24.8
312.05920	1.8
313.07181	1.2
314.04065	1.2
315.08551	0.6
316.08945	0.4
325.07083	1.5
326.07761	6.5
329.06546	62.7
330.06845	3.7
343.08096	0.7
344.08960	6.2
359.11234	100.0
360.11459	6.1
371.98242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52660	0.8
54.04018	0.9
55.01869	1.6
55.05510	1.2
56.05034	9.1
60.44864	0.9
68.99786	1.5
69.27933	3.3
69.28332	1.5
70.02947	3.8
70.06575	1.4
71.01350	3.1
72.04513	3.1
72.08155	2.1
76.79022	1.0
79.05488	1.6
84.04528	2.5
84.08112	1.0
88.03989	0.9
91.05473	1.3
94.54321	1.1
95.04985	1.5
98.05505	1.3
98.06024	6.3
100.03967	20.1
100.07617	1.1
103.05464	23.5
104.05800	1.9
105.07056	0.9
107.04945	1.0
107.08617	1.3
109.02885	1.2
110.06023	1.1
112.11283	1.6
124.03944	6.6
125.02357	1.6
126.04629	1.7
126.05506	18.6
126.88235	0.9
127.05043	2.0
128.02475	2.0
128.03432	36.1
131.04919	53.7
132.05280	4.1
137.06032	1.3
138.01862	16.8
143.08533	0.9
147.04407	1.4
152.03426	26.5
153.03773	1.1
156.02898	15.7
170.04515	5.9
180.02917	2.6
188.05612	2.0
194.04646	1.1
196.02409	1.7
207.02902	1.1
211.07430	1.5
212.05496	6.1
219.08096	1.0
220.26791	1.0
224.20134	1.6
238.03442	64.2
239.03735	2.2
242.08144	9.4
255.03226	1.2
256.04504	100.0
257.04849	3.4
297.13626	1.1
300.08734	2.3
303.76706	0.9
313.09106	1.8
313.14331	1.2
318.39880	0.9
342.09711	55.9
343.09967	2.0
358.30774	2.1
359.12137	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	359.1488
Annotation	Margicassidin
Peak:m/z	Relative Intensity
53.03931	0.9
55.01859	2.1
55.05512	7.6
57.03420	0.5
57.07062	1.8
60.95452	0.5
62.58965	0.6
65.03938	0.5
67.05502	3.4
68.99786	3.3
69.03416	0.7
69.07065	1.2
70.55805	0.9
71.01341	0.8
74.06065	0.5
79.05478	3.5
81.03410	0.7
81.07042	3.2
83.08621	1.1
85.02911	0.5
85.06550	0.7
87.84293	0.5
91.05460	4.0
93.07038	4.1
93.23754	0.5
95.01320	2.1
95.04972	3.8
95.08598	2.6
96.53099	0.5
97.10169	7.3
105.07029	2.5
107.01331	0.8
107.04955	4.7
107.08597	3.2
109.02869	1.9
109.06506	1.7
109.10126	2.0
111.04450	1.5
111.08115	0.6
113.02324	1.8
113.41627	0.5
119.04926	2.7
119.08598	3.4
121.02851	1.9
121.06504	16.9
121.10130	0.8
122.06852	1.0
123.00760	0.8
123.04425	2.2
123.08080	1.2
125.02316	0.9
125.09635	3.5
127.03898	1.1
129.06981	1.0
131.08536	0.8
133.06470	2.3
135.04408	0.7
135.08005	0.8
137.02327	3.7
137.09578	1.5
139.03896	1.2
141.01781	0.9
147.04401	6.6
147.08017	3.1
149.02347	1.8
149.06017	0.9
149.09607	0.6
151.03908	1.9
151.07512	2.3
155.03336	0.8
161.02515	0.5
165.01859	0.9
165.09093	3.1
167.03381	3.0
169.04973	1.1
169.08630	0.7
175.07541	2.2
177.09084	2.3
181.11923	0.6
183.10217	4.3
189.05533	0.6
193.08597	7.8
203.07031	0.6
211.09647	15.5
213.07414	0.6
219.10172	0.8
221.08182	0.6
239.09125	100.0
240.09471	5.3
240.43228	0.5
257.10196	21.4
258.10574	0.8
265.10696	8.0
266.10953	0.7
280.11636	1.0
301.27789	0.5
309.76993	0.6
341.13672	1.5
359.14886	8.4
360.15015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Brosimacutin B
Peak:m/z	Relative Intensity
55.01874	4.3
55.05515	4.1
56.04250	1.2
57.03435	4.6
66.97200	1.3
67.05505	5.9
69.03425	4.0
69.07054	1.9
71.68597	1.3
79.05484	13.1
81.07053	4.7
83.04974	6.5
86.27618	1.4
89.55430	1.5
91.05473	21.5
93.07031	12.9
95.01324	1.8
95.04976	9.0
95.08595	9.2
95.22602	1.4
97.02901	5.2
103.05489	3.9
105.03379	3.3
105.07007	14.9
107.04948	45.4
107.08589	14.2
108.05289	2.1
109.06530	5.4
109.10151	2.4
111.08065	10.6
115.05443	2.4
117.07004	3.4
119.04935	23.0
119.08583	30.6
120.08807	1.5
121.02840	7.7
121.06487	12.7
123.04424	8.8
123.08034	9.3
125.06011	3.4
125.09594	1.9
127.64059	1.3
128.06235	3.9
129.07022	5.7
131.04930	28.5
131.08604	5.1
133.06494	30.2
133.07500	2.4
137.05992	4.6
137.09647	3.9
143.08566	3.7
144.05737	2.1
144.73369	1.4
145.06409	2.8
147.04398	100.0
147.08020	17.9
148.04741	3.8
149.05957	31.9
149.09599	2.0
151.03912	5.1
151.07564	4.8
155.08527	1.9
157.06526	6.0
157.10097	2.8
157.78067	1.6
159.08051	8.1
161.05963	4.3
165.09093	14.1
167.07057	4.5
169.06459	1.9
173.05923	1.9
175.07518	14.3
177.05533	2.1
177.09267	1.9
179.07071	3.9
179.08563	1.8
183.07956	3.2
185.05962	1.4
187.07509	7.5
193.08574	50.4
194.08919	2.2
195.08025	2.4
197.09692	1.6
199.11049	2.1
201.09155	4.9
203.07050	12.1
207.08032	3.5
208.08865	5.7
209.09665	3.7
211.07669	3.4
211.09631	25.0
219.10121	3.2
220.08806	4.3
221.08003	14.3
223.07542	3.6
223.11182	3.3
224.08255	5.8
225.09123	2.2
227.10620	4.6
233.06081	1.9
233.09531	2.8
234.06686	3.6
235.07530	3.1
235.11093	9.6
236.11725	1.5
237.09117	2.0
237.12738	5.5
239.09126	88.7
240.09447	4.0
243.06496	2.2
245.09674	2.0
248.08304	2.4
249.12700	9.6
250.06253	3.0
251.06946	3.2
251.10602	9.0
253.08453	2.8
253.12230	23.2
257.10330	1.7
259.11331	2.1
261.09116	3.4
263.10663	16.3
266.09393	1.5
269.08948	2.4
269.11649	15.7
277.12332	4.3
279.10126	13.3
280.10580	1.9
281.11804	3.9
295.13266	13.3
297.11215	12.2
297.14639	2.8
305.11667	4.3
313.14246	13.8
313.43930	1.7
323.12756	46.6
324.13177	4.2
341.13815	87.3
342.14240	3.9
359.14920	11.6
359.19217	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	359.1488
Annotation	Brosimacutin B
Peak:m/z	Relative Intensity
50.65704	1.4
51.02389	1.8
55.01872	4.5
55.05517	3.7
57.03433	1.6
67.05505	5.5
69.00866	1.4
69.03432	4.6
69.10894	8.1
75.31325	1.2
77.03928	1.6
77.69302	1.5
77.89018	1.2
79.05493	11.8
79.15171	1.3
81.03397	2.1
81.07071	5.5
83.04988	7.3
91.05477	24.8
93.07043	15.7
95.04960	7.4
95.08613	11.1
97.02905	5.8
97.06539	2.1
103.05492	4.2
105.03400	3.6
105.07024	16.7
107.04948	46.4
107.08585	14.9
109.06496	4.0
109.10201	2.3
111.08086	11.2
115.05420	1.9
117.07034	4.2
119.04936	19.8
119.08578	31.0
121.02858	7.5
121.06511	15.4
121.10237	1.2
123.04416	7.8
123.08076	10.9
125.06022	2.8
125.09628	2.4
128.06256	1.4
129.06979	6.4
130.44681	1.2
131.04919	30.8
131.08583	5.9
133.06487	23.8
135.08066	2.6
137.05952	2.7
137.09642	5.2
143.08575	1.6
145.06519	3.8
147.04402	100.0
147.08052	16.6
148.04761	3.1
149.05966	29.2
149.07161	1.5
149.09607	2.1
151.03908	5.5
151.07565	5.1
154.43820	1.5
155.08578	2.1
157.06490	4.4
157.10077	2.0
159.08049	8.8
160.02811	1.3
161.06004	4.9
165.05661	1.7
165.06981	2.2
165.09079	12.9
167.07060	4.6
169.06415	2.1
171.08128	3.0
175.03931	1.4
175.07481	10.6
176.07913	1.5
177.05467	1.9
179.06995	2.2
181.06534	1.7
182.07327	1.5
183.08089	4.4
185.05969	3.1
187.07513	7.6
193.08594	49.3
194.07263	2.7
194.08925	2.8
195.08081	4.6
196.08943	1.7
197.09575	1.5
197.40977	1.3
199.11205	1.6
201.09111	2.6
203.06993	12.0
206.07240	1.4
207.08044	3.9
208.08766	2.3
209.09647	1.9
211.07683	3.3
211.09610	24.1
219.10242	5.0
219.49344	1.4
220.08844	4.4
221.07961	15.1
223.07549	2.8
223.11186	3.3
224.08330	5.5
224.56012	1.2
225.08978	2.0
225.12758	1.9
227.10658	3.7
229.08592	2.1
234.06763	2.1
235.07491	2.2
235.11186	10.2
236.08275	1.7
237.09178	1.7
237.12741	5.9
239.09125	92.4
240.09532	2.8
243.06616	1.7
245.09680	3.0
249.09174	1.5
249.12695	9.8
250.06268	3.2
251.06956	2.6
251.10677	14.1
252.11697	1.8
253.08582	1.7
253.09247	1.8
253.12233	26.8
261.09116	3.7
263.10580	12.6
264.11069	1.9
267.13934	1.9
269.11697	21.2
270.12350	1.5
277.12292	3.5
279.10129	12.4
281.11868	3.0
294.09082	1.7
295.13251	17.1
297.11218	12.3
297.14822	4.9
303.17108	1.3
305.11667	5.6
313.14273	13.7
323.12766	52.1
324.13129	5.7
329.22662	1.5
341.13803	87.4
342.13962	6.6
359.14813	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Brosimacutin B
Peak:m/z	Relative Intensity
55.01859	2.4
55.05489	2.4
57.75695	1.6
67.05496	5.6
69.03436	4.5
69.55134	6.9
69.55486	2.3
79.05473	11.8
80.15726	1.7
81.07058	7.3
81.33532	1.7
83.04995	4.2
87.99063	1.9
91.05476	21.6
93.07030	14.3
95.04966	8.0
95.08588	9.9
97.02870	6.6
98.22621	1.8
103.05462	2.3
105.07024	15.8
107.04944	41.5
107.08592	14.7
109.02943	1.7
109.06541	6.3
109.10156	2.5
111.08083	9.3
117.07006	3.4
119.04945	18.1
119.08567	38.2
121.02855	8.1
121.06502	12.0
123.04395	8.7
123.08032	11.8
125.05966	4.3
125.09607	2.4
128.06284	1.9
129.06979	5.9
131.04927	24.6
131.08571	7.4
133.06480	21.8
135.08015	3.7
137.05952	2.5
137.09602	5.3
145.06480	3.1
147.04398	100.0
147.08029	15.8
147.49240	2.1
148.04753	3.2
149.05974	28.9
149.09618	3.5
151.03894	5.7
151.07529	6.1
153.06989	2.4
155.08485	2.0
157.06494	3.6
159.04379	2.0
159.08014	8.6
161.05962	2.1
165.09094	12.2
167.07048	4.6
171.08009	2.4
175.03923	2.5
175.07510	14.3
177.05530	2.7
179.07043	2.1
179.08582	2.2
179.58492	1.9
183.08005	2.7
183.76587	1.9
187.07552	6.7
192.67706	1.9
193.08588	47.8
194.07330	2.1
194.08992	3.0
199.07536	2.0
201.09041	2.6
203.06952	12.3
207.08109	3.2
208.08946	2.2
211.07626	3.4
211.09586	24.4
219.08101	1.8
219.10117	4.3
220.08754	4.7
221.07993	14.4
223.11159	2.8
224.08359	5.9
225.09015	2.8
227.10701	5.4
235.07462	2.2
235.11140	12.5
237.12701	8.2
237.58073	2.1
239.09116	87.9
240.09561	3.2
243.06398	2.2
245.09628	3.7
249.09033	3.0
249.12875	11.7
250.06067	3.6
251.06931	2.5
251.10620	15.2
253.12222	33.8
254.12639	2.5
259.11203	2.6
261.08975	3.7
263.10657	15.2
264.11230	1.9
269.11707	20.3
277.12207	6.7
279.10098	14.5
281.11639	5.6
295.13239	16.9
297.11237	10.4
297.14633	3.6
305.11716	3.0
313.14304	14.8
323.12735	53.8
324.13028	4.2
341.13794	88.3
342.14136	5.6
359.14786	16.1
373.97531	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	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
53.03942	7.3
55.01868	10.7
55.05509	19.9
57.03437	9.5
57.07067	9.7
61.02916	6.0
65.03934	1.8
67.05499	43.3
68.99780	7.5
69.03425	45.9
69.03804	2.3
69.06712	2.2
69.07066	36.3
69.71476	4.4
69.71812	1.4
71.01341	4.4
71.04978	10.3
71.08623	20.9
73.02898	2.6
76.36343	1.2
79.03101	1.2
79.05492	23.6
81.03415	100.0
81.07053	35.6
82.03752	2.1
83.02446	1.1
83.04977	15.4
83.08614	6.0
85.02902	31.8
85.06539	5.5
85.10178	5.0
87.00821	15.8
87.04465	2.6
91.05475	20.6
93.07040	26.8
95.04967	19.6
95.08596	26.2
97.02892	18.5
97.06530	6.2
97.10172	2.4
99.04444	9.9
99.08096	24.7
103.03944	6.9
103.05466	3.1
105.01863	7.5
105.04485	1.7
105.07022	16.0
106.60383	1.1
107.04964	11.8
107.08595	14.3
109.02871	14.5
109.06515	6.8
109.10149	16.0
111.04446	13.3
111.08082	2.7
111.11681	2.3
113.05930	1.4
113.09643	8.4
115.03918	2.5
115.05437	2.1
117.07001	8.7
119.08559	10.2
121.06499	19.9
121.10127	8.4
123.04429	38.5
123.08083	2.6
123.11701	7.1
125.02376	1.9
125.06007	3.9
125.09641	8.2
127.03909	24.6
127.11195	3.3
129.01846	6.4
129.05455	1.6
129.07021	3.8
131.04961	2.2
131.08565	8.6
133.06477	3.5
133.10109	8.9
135.04396	2.8
135.08041	5.0
135.11664	6.8
137.05960	4.3
137.09647	2.8
137.13232	3.1
139.03928	1.7
139.07513	2.1
139.11177	7.3
141.05438	1.6
141.06947	1.6
141.12724	15.9
142.07721	1.5
143.08578	5.0
145.04924	2.5
145.06482	3.5
145.10106	7.1
147.02881	4.3
147.04376	2.6
147.08044	3.1
147.11702	6.3
149.05974	2.0
149.09583	2.2
149.13251	3.9
151.07547	3.4
151.11156	12.5
153.05418	1.7
153.12749	11.1
155.08571	2.0
155.10625	1.5
157.10103	3.7
157.12242	2.5
159.02893	3.6
159.08063	1.7
159.11661	7.3
161.09572	1.4
163.11147	3.9
165.12749	5.5
167.07109	1.4
169.10106	1.7
169.12216	9.2
171.02879	1.7
171.11627	1.5
173.13261	4.8
175.11192	2.7
177.12740	5.3
179.10628	1.5
181.12251	2.0
183.11685	3.5
183.13870	1.6
187.14790	6.0
188.02966	1.4
189.03949	4.7
191.14294	6.6
193.12299	1.9
195.13797	25.0
196.14066	1.3
201.12685	6.9
202.13559	1.4
207.13731	6.5
219.13794	23.2
225.16510	3.6
231.04997	5.7
237.12665	2.0
237.14862	19.8
239.08777	1.2
253.15913	3.7
255.15881	4.8
271.16983	1.8
281.15363	3.3
285.18491	2.4
299.16269	2.2
323.14700	2.0
331.19202	1.9
341.16370	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75500	1.9
55.05507	7.0
56.05033	3.3
57.77205	1.8
68.00177	1.8
69.07062	11.3
70.06586	12.0
72.08154	83.2
83.06098	40.2
84.04505	53.3
84.08147	17.1
85.02892	2.6
86.06104	2.3
86.09702	100.0
97.02862	2.2
101.07133	7.5
103.05342	1.9
114.05499	2.1
116.07079	2.4
118.08640	33.8
119.04948	6.3
121.06475	2.7
127.01579	4.2
129.06593	25.5
129.10266	10.2
134.34547	2.0
137.05997	7.9
141.06619	2.6
143.11815	9.6
147.04419	24.1
147.11275	2.2
152.10733	4.5
157.13358	12.4
161.06055	2.0
163.03905	7.2
163.07475	2.5
169.13380	7.3
170.23299	2.4
171.11273	6.2
175.10722	4.9
185.12836	6.1
189.05475	3.1
189.12379	9.2
196.14438	39.1
197.12862	25.9
199.17937	2.5
214.15486	15.2
224.13858	13.1
225.12325	5.4
242.15024	5.5
250.06711	1.9
271.05984	8.6
284.19461	2.2
299.12628	3.7
301.12939	2.9
311.12833	2.3
341.21878	18.4
359.03354	2.1
359.12891	10.1
359.16660	19.1
359.23721	6.0
360.17148	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	359.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52864	0.9
55.05503	6.3
55.90035	0.8
56.05023	3.8
66.91773	1.0
69.03431	1.4
69.07059	3.9
69.43793	4.3
70.06581	7.1
70.52501	0.9
71.04996	1.3
72.08148	72.2
73.02900	1.1
73.08484	1.9
83.06097	47.5
84.04497	48.5
84.08137	7.2
85.02901	1.6
86.09698	100.0
86.67174	0.8
87.04465	11.6
87.10035	1.4
88.04018	1.5
89.06018	1.8
95.08623	1.0
96.04492	1.1
98.25842	0.8
101.07131	9.8
102.05563	1.5
110.09698	1.2
111.05602	1.4
111.30999	0.9
112.03923	1.1
113.07136	1.1
116.07085	4.1
118.08641	17.8
119.04901	1.7
124.11227	1.1
126.01099	1.5
127.01540	2.0
129.06599	10.5
129.10251	3.9
131.07045	3.0
132.10191	35.4
133.10510	1.0
137.05968	2.6
138.09125	17.4
139.09471	1.0
141.06586	2.3
143.11801	1.8
147.04417	4.4
147.11299	1.2
152.10706	1.9
155.03671	2.2
155.11835	6.0
157.09727	0.9
157.13339	2.1
169.13348	3.8
171.11270	1.8
175.10683	1.1
179.57460	0.9
182.12878	35.8
183.11282	28.4
184.11649	1.4
185.12909	1.6
185.16475	4.0
196.14432	14.9
197.12866	11.0
199.18025	2.9
200.13925	15.2
203.13893	1.2
210.12363	12.3
211.10791	3.8
213.15985	1.9
214.15594	4.7
215.13899	3.4
219.12329	1.6
224.13988	5.9
225.12210	2.3
227.17502	1.6
228.13403	8.8
231.17087	2.1
242.14986	3.2
271.06091	7.8
281.04437	2.2
299.05472	4.0
301.12592	4.5
341.21799	29.3
342.21335	1.1
359.12949	4.2
359.16684	17.8
359.23404	9.7
360.16919	1.3
360.25156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
56.05030	3.1
56.96555	2.2
58.65379	0.6
59.00380	0.8
62.00645	0.7
68.25497	0.7
70.06579	3.7
70.34740	2.0
72.07792	1.1
72.08152	13.8
82.06559	1.0
84.08136	100.0
85.02900	1.1
85.06562	0.7
85.08467	1.3
86.09700	14.3
97.02885	0.8
97.99181	1.0
101.10770	3.9
102.09153	0.9
106.02898	1.7
111.09235	0.9
112.07594	1.1
116.00231	1.1
116.07074	0.8
119.01888	1.0
124.03932	2.1
129.10231	69.1
130.08615	0.9
130.10672	0.8
132.10326	0.8
134.01294	1.0
138.12737	3.4
139.08786	0.9
142.01770	2.5
143.11841	1.4
147.11301	1.7
160.02847	1.7
171.11177	1.0
175.11868	1.1
183.14902	6.8
185.12851	0.7
185.16484	1.2
204.03749	0.9
210.16020	1.7
211.14368	1.5
218.99443	1.1
228.17043	5.6
231.17004	1.7
268.08185	1.2
273.05673	1.0
297.05920	2.3
315.06802	4.4
342.23959	1.0
359.02637	1.3
359.07095	3.2
359.13107	2.0
359.26764	17.6
360.27042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2944
Annotation	24:5 (n-3)
Peak:m/z	Relative Intensity
53.03949	0.6
55.01871	0.5
55.05504	9.7
56.96547	0.9
57.07069	2.0
59.05021	0.6
61.16761	0.5
63.76180	0.5
65.03925	2.3
67.05502	15.3
69.03423	0.6
69.07066	9.5
70.06575	1.1
71.04993	2.7
71.08651	0.6
71.35104	0.5
71.43766	0.5
72.08139	2.6
79.05482	9.2
80.05801	0.6
81.07052	31.1
82.07381	0.6
83.04980	12.4
83.08616	3.4
85.06547	3.0
88.07612	0.5
91.05473	6.1
93.07040	18.8
95.04964	100.0
95.08599	30.4
95.09222	1.1
96.05309	2.1
96.08922	0.6
97.00986	0.5
97.06525	9.1
97.10163	3.1
97.24899	0.5
98.06087	0.8
99.08099	1.7
105.07022	10.9
107.08588	18.7
109.06515	13.8
109.07082	0.4
109.10151	18.7
110.10516	0.7
111.08060	4.4
111.11735	1.4
113.09655	5.0
117.07035	1.4
119.08573	11.5
121.06507	0.7
121.10136	18.5
121.10986	1.0
123.08088	1.7
123.11704	8.9
125.09625	1.1
129.06981	1.0
131.08565	3.7
131.57420	0.5
133.10133	10.3
135.08023	1.2
135.11681	12.0
135.12650	0.8
136.11961	0.5
137.09599	1.0
137.13249	2.8
139.11176	2.2
141.07025	0.6
143.08539	1.4
145.10110	6.3
147.11667	8.4
149.09586	1.0
149.13240	10.5
151.11143	1.4
151.14824	1.1
153.12714	0.7
157.10133	1.2
159.11679	7.2
161.13255	6.5
163.11153	0.6
163.14795	6.8
165.12769	3.4
171.11725	1.9
173.13252	5.3
175.14842	4.4
177.12764	0.6
177.16391	2.2
179.14206	1.0
184.18422	0.5
185.13298	0.9
187.14810	3.0
189.16338	4.6
191.14221	0.9
191.17984	0.9
197.08070	1.3
199.14850	1.0
201.16272	2.4
203.17986	1.7
207.17567	0.7
213.16350	1.6
215.17944	3.3
219.17377	0.8
229.19542	1.1
231.17542	1.0
231.20990	0.7
233.18990	1.5
233.22495	1.1
241.19420	0.6
243.21138	1.7
245.22643	2.4
247.20639	0.7
259.20557	0.7
261.22198	1.8
263.23804	1.1
267.21008	1.1
283.24246	0.6
285.22156	0.8
298.08279	1.1
323.27386	2.0
326.08072	0.7
336.19299	0.6
341.28360	11.5
342.28812	0.8
359.11319	1.3
359.15244	0.7
359.29434	24.1
359.36493	1.0
360.29764	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	360.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75998	1.8
53.17759	1.8
55.11256	2.0
56.05037	2.7
56.96560	44.2
56.96838	2.8
60.05635	3.7
69.07066	2.1
69.69387	3.5
69.69778	3.8
70.06591	24.9
70.70224	1.8
72.08146	18.5
74.97589	2.8
84.05619	2.9
84.08137	26.1
85.02907	7.0
85.35957	1.8
86.09699	50.0
91.03947	2.6
97.99161	9.8
98.97575	100.0
99.97892	2.0
106.02038	1.8
109.99184	4.0
112.08743	3.1
115.08685	2.2
116.00204	16.1
116.07097	1.9
116.98618	58.0
119.08604	2.0
124.00871	1.6
124.01878	8.6
127.03980	2.2
128.00211	5.9
129.10233	11.4
130.08626	9.0
131.98564	3.8
134.01254	6.6
134.99628	20.1
136.06279	1.9
140.00200	3.9
140.01300	3.8
140.03838	4.0
142.01758	6.0
142.02892	20.7
142.05345	5.1
146.01236	5.0
147.11244	15.2
152.99667	3.6
153.00781	2.4
154.00500	2.1
154.01714	2.6
157.02802	2.6
157.13390	3.3
158.01248	4.0
158.02417	2.0
158.04880	6.2
158.09259	3.1
159.00754	2.3
160.02774	4.2
160.03926	24.4
160.06406	10.5
166.07324	2.4
170.04877	2.5
171.00818	6.5
172.01477	4.1
172.02832	4.4
175.11893	9.9
178.05052	3.4
178.07544	3.9
182.02367	17.2
183.03075	7.7
185.02364	2.4
185.07057	4.9
185.16484	6.6
187.01459	3.2
188.05942	2.5
189.04317	7.6
200.03401	15.7
201.04076	10.1
203.03372	3.9
204.01945	2.4
205.02377	10.0
206.06996	8.0
207.05431	2.2
211.03935	6.7
213.15979	4.0
215.02136	4.8
222.05446	2.1
223.03874	2.5
224.08049	13.4
225.17155	2.9
228.12476	2.7
229.02437	8.4
229.04799	4.5
230.06972	15.3
231.01875	2.2
232.10266	4.2
247.03490	58.4
248.03789	8.4
248.07999	30.9
249.02173	13.6
255.02908	2.3
259.04208	12.5
265.04565	12.3
266.08954	2.3
267.03290	9.1
277.05154	3.1
286.07224	2.5
300.09763	5.9
301.14340	2.5
303.03241	5.7
312.05008	4.0
315.03015	3.0
316.06525	2.7
318.10818	65.7
319.12125	2.0
319.15259	10.5
333.04291	3.7
334.07391	7.8
336.11893	17.2
342.04507	2.8
343.03131	1.9
359.23431	16.9
360.00903	14.2
360.05695	62.0
360.23578	3.3
361.05688	4.3
378.06430	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	360.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.1
54.16147	0.1
66.01051	0.2
68.01349	0.1
68.99785	1.0
79.01835	0.7
81.04533	2.7
82.66634	0.1
85.06479	0.1
91.05433	0.2
92.99749	0.2
93.04507	0.8
94.04040	0.5
95.02435	1.3
98.23448	0.2
105.03384	0.1
105.04507	1.1
106.04031	0.2
107.01321	0.2
107.02422	0.2
109.03976	0.3
113.03474	1.6
117.04487	0.6
118.03983	0.4
119.02399	0.6
120.05557	0.8
121.03957	0.2
127.05028	0.3
129.04475	0.9
130.04001	0.8
131.02388	0.2
132.05563	2.0
133.03951	0.5
134.03484	0.2
135.00720	0.2
135.05536	0.2
144.05554	2.2
144.06659	0.1
145.03979	0.9
146.03415	0.1
153.02913	0.2
156.05489	0.6
157.03976	1.3
157.65523	0.1
158.03473	2.0
160.00259	0.2
160.05040	4.0
161.03445	0.6
162.01865	0.1
162.06590	0.1
163.04930	0.2
172.05043	5.5
173.03452	1.4
173.04953	0.2
175.04967	0.2
176.04460	0.2
177.02913	0.4
184.05054	3.4
185.03354	0.5
186.02960	2.1
188.04486	0.6
190.06102	0.1
191.04475	0.4
200.04529	5.8
201.02982	1.5
201.04796	0.3
202.03154	0.1
204.04057	0.5
208.03419	0.2
212.04527	11.8
213.04790	0.4
214.02434	1.9
219.03877	0.3
228.03990	2.4
229.02380	0.6
230.05569	0.4
232.03523	1.6
236.07051	0.1
246.05199	0.5
246.07419	0.1
247.03381	0.2
256.03494	100.0
257.03827	4.0
272.02951	0.1
274.04547	5.7
275.04984	0.3
292.16910	0.1
314.09113	0.3
318.08688	0.4
332.10260	0.6
342.08908	0.2
346.32712	0.1
360.09744	24.2
361.10086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.93339	0.5
59.51733	0.4
65.03922	0.7
68.99783	0.5
69.03428	0.6
69.26881	2.9
77.03887	0.5
81.03408	2.8
82.03788	0.5
89.78505	0.4
90.91922	0.5
90.99316	0.4
91.43263	0.4
95.04951	1.4
97.02890	1.1
98.22688	0.9
103.05463	22.4
104.05788	0.6
105.07016	1.0
107.01310	0.6
120.04459	1.9
121.02849	1.6
123.04417	0.7
124.03947	3.1
125.02345	5.3
126.05516	0.8
131.04921	100.0
132.05261	2.4
148.03938	1.6
149.02338	9.9
151.03932	0.6
152.03465	0.6
153.01813	1.3
157.01237	0.5
167.03383	8.9
173.05986	1.3
175.00272	0.9
176.01166	0.5
176.03409	4.2
177.01845	3.0
188.19987	0.4
189.03973	0.8
193.01384	2.7
194.04480	3.4
195.02899	4.7
211.02444	0.7
221.00764	0.8
223.07524	0.8
238.03474	1.2
239.01877	3.1
240.06502	0.8
243.06480	0.9
253.08568	6.6
279.06506	9.0
280.06851	0.4
280.09665	8.0
281.07986	4.3
297.07553	5.5
307.05991	5.0
324.08658	4.4
325.07104	2.8
342.09714	4.9
343.07919	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	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.5
55.01881	11.1
55.05501	2.8
57.03424	6.5
57.16717	1.8
61.02924	6.6
67.05497	2.3
68.99777	2.7
69.03424	37.1
69.07070	3.2
69.54665	3.3
69.55055	5.0
70.06592	23.3
71.04975	6.8
72.08141	6.1
73.02918	7.8
81.03410	32.2
81.03843	3.2
81.07095	2.5
84.08144	5.0
85.02898	100.0
86.09702	34.1
87.00824	33.5
87.04469	3.3
87.10050	5.3
89.44560	2.0
91.05485	2.5
95.04970	2.4
97.02885	49.2
98.23484	3.0
99.04433	22.0
103.03922	2.9
105.01860	37.0
108.04472	6.5
109.02875	31.7
109.10127	10.9
110.95850	2.4
117.01849	5.0
119.11401	2.2
120.08083	4.8
121.02901	2.5
124.03955	9.5
126.05503	4.4
127.03909	91.8
129.01831	4.0
143.11781	3.3
145.04950	55.7
147.02898	5.6
147.04437	4.1
158.29732	2.1
159.02881	30.8
213.12241	3.2
217.13313	4.7
229.11841	2.2
230.06624	3.8
231.04987	17.3
243.00546	2.0
245.12852	3.4
248.07628	3.6
291.31808	2.3
301.11868	3.3
360.15915	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	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03394	6.4
61.02910	18.2
69.03427	23.3
70.46199	12.1
73.02922	7.2
78.47631	4.8
80.52553	5.0
81.03416	8.1
82.30602	4.7
82.78020	4.3
85.02399	8.5
85.02897	100.0
91.03936	19.4
97.02869	34.8
109.02869	14.2
112.89592	22.3
114.89325	6.2
127.03899	46.1
139.91417	11.3
145.04956	64.1
163.06012	35.9
168.00919	4.7
174.89664	7.5
176.64333	5.5
181.07010	7.1
196.87752	13.0
200.91119	12.8
212.85170	31.9
214.85027	10.3
224.28572	4.8
243.81657	5.9
259.98373	6.5
274.01242	5.0
292.72311	5.4
364.74286	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2127
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
55.70695	0.6
56.05022	1.9
56.96557	1.1
60.26463	0.5
69.06712	0.7
69.07065	7.3
69.20189	2.8
69.31083	0.5
74.06076	9.8
84.96019	0.7
86.09699	100.0
87.10031	1.8
95.81119	0.5
98.06039	0.8
98.97573	4.2
99.05602	0.9
103.16553	0.4
104.07101	2.7
110.97556	1.8
116.07080	1.2
116.98606	1.4
121.07600	0.4
124.03976	0.7
126.05499	4.2
128.98618	2.0
143.00122	0.6
144.06595	0.7
147.04410	0.6
158.99632	1.1
187.14508	0.7
195.11279	1.2
201.12460	0.7
211.14314	1.3
217.15450	7.3
219.01849	1.4
237.02788	2.7
239.13905	7.9
247.77005	0.5
298.17365	0.5
301.09583	3.6
319.10699	3.5
360.14185	0.6
361.11703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39885	0.3
53.00882	0.3
54.80042	0.3
56.05042	2.6
56.96559	1.6
66.68758	0.3
69.07069	7.1
69.11370	2.2
74.06078	8.9
74.06467	0.7
84.96021	0.6
86.09702	100.0
87.10006	1.9
98.06041	0.8
98.23444	0.6
98.97574	5.2
99.05594	0.4
104.07094	2.8
110.97582	1.3
116.07113	0.9
116.98618	1.4
126.05521	4.2
128.98618	1.1
140.98608	0.4
143.00195	0.8
144.06538	0.5
146.99652	0.9
147.04480	0.3
152.98679	0.6
158.99582	0.5
161.01231	0.6
177.00717	1.5
195.11278	2.0
199.06477	0.5
201.00790	0.4
201.12445	0.4
209.00999	0.4
211.14468	1.1
217.07558	0.4
217.15469	8.0
219.01794	1.9
237.02798	3.2
239.13914	6.2
240.14165	0.5
257.14957	0.5
298.17615	0.5
301.09491	4.5
315.70758	0.4
319.10602	6.4
355.27121	0.4
361.11761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50478	6.9
55.01862	13.5
55.05505	75.0
57.42260	7.2
59.04997	45.1
67.05501	80.2
69.03419	13.9
69.07065	100.0
70.23421	7.6
71.04993	83.7
79.05485	85.1
81.03414	23.1
81.07049	68.1
83.04989	10.0
83.08621	42.5
85.06531	14.5
91.05463	42.8
93.07037	48.3
95.04961	21.8
95.08594	34.5
97.06517	43.1
97.10158	61.9
105.07024	32.3
107.04940	12.5
107.08596	40.1
109.06512	12.5
109.10159	39.6
110.10592	9.3
115.07506	8.8
117.06995	11.7
119.08566	20.2
121.06548	7.6
121.10130	39.7
123.11682	9.4
124.03925	12.9
125.09647	27.2
131.08565	20.7
133.10144	14.9
135.08009	8.5
145.10136	8.8
153.12721	20.9
155.10677	13.2
157.10118	8.3
159.11726	15.1
173.11717	54.9
189.11208	29.1
275.20026	29.6
300.06259	12.2
301.06888	11.5
314.04178	8.5
321.58444	7.9
329.06546	27.9
346.06949	12.2
360.23831	11.0
361.09073	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	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92701	8.4
55.05505	53.2
59.05002	41.2
60.51009	8.5
67.05502	100.0
69.03419	23.6
69.07072	80.1
70.92896	12.2
71.04990	64.1
79.05492	82.4
81.03409	18.5
81.07050	49.6
83.08616	31.2
86.59918	8.7
91.05497	45.3
93.07045	82.1
95.04979	17.1
95.08629	39.2
97.06545	52.2
97.10176	42.4
104.87682	9.3
105.07037	30.1
105.73325	9.9
107.08595	62.9
109.06532	17.0
109.10175	55.5
109.13957	9.0
117.07047	13.2
119.08588	19.6
121.10127	70.8
125.09576	48.6
134.99448	9.2
137.71223	9.2
145.10135	20.6
153.12740	35.6
155.10684	16.3
159.11765	15.3
164.04755	12.3
173.11765	66.0
188.77441	10.5
189.11243	31.7
192.41609	10.8
223.11105	11.0
275.20081	35.8
329.06415	26.8
346.06882	24.5
361.09201	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	33.9
58.22246	8.7
67.05499	80.4
69.07057	40.7
69.69872	24.4
71.04995	99.8
73.06610	8.4
79.05478	100.0
81.07049	46.3
83.08596	10.5
83.36163	9.8
91.05486	30.3
91.94637	8.3
93.07054	79.8
95.08611	20.9
95.19611	8.8
97.06521	10.8
97.10165	27.5
97.43311	8.6
105.07039	13.6
107.08623	44.5
109.10172	49.0
111.08012	10.3
117.02756	9.0
119.08549	18.0
121.10136	80.5
125.09616	17.3
148.54932	9.4
153.12729	44.9
155.10713	27.4
159.86545	8.9
164.17645	8.6
173.11755	92.5
189.11301	22.4
211.99545	9.8
275.20120	38.2
330.78360	9.5
369.47211	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	48.3
55.77968	5.7
67.05501	73.2
69.07052	24.5
71.04984	68.9
71.43536	7.2
77.98029	5.7
79.05486	85.0
81.07047	34.2
83.08598	17.6
86.19562	5.7
87.08032	5.8
91.05453	29.2
93.07038	80.1
95.04988	9.7
95.08595	29.7
97.06503	11.2
97.10152	29.0
105.07028	25.3
107.08570	50.4
107.63399	7.4
109.10152	56.1
119.08562	16.4
121.10143	67.8
125.09613	12.6
131.08522	8.1
133.10086	10.2
137.09546	7.5
147.11684	8.7
149.09555	7.9
153.12749	47.8
155.10677	13.4
173.11748	100.0
173.13205	7.1
189.11172	31.6
258.34851	6.8
275.19958	42.6
276.20316	9.8
346.06790	11.9
361.09421	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	360.9552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
62.98257	7.1
65.05676	2.4
69.03438	2.0
71.45496	2.2
71.83917	2.0
82.98119	2.2
85.02911	10.4
96.92844	2.7
104.87468	1.9
104.99287	7.4
116.41092	1.9
119.01929	5.7
120.96667	10.2
127.03945	8.3
132.39302	2.1
133.56160	2.1
136.94022	71.4
145.04961	6.7
146.05269	2.1
154.11995	2.2
159.05013	12.5
163.06007	2.2
164.91832	3.7
164.93050	46.6
164.95955	2.4
177.06160	7.6
178.13815	2.0
178.95074	1.9
180.94810	2.3
191.04016	7.3
192.99904	3.1
196.86629	4.1
196.87953	5.4
202.88602	2.2
207.01442	3.6
218.06311	2.8
218.38394	2.9
218.86015	8.8
219.08350	31.5
220.05423	68.9
220.89670	3.8
221.05595	3.0
225.02283	2.7
236.87053	7.9
237.08168	100.0
238.06448	50.6
249.02473	4.8
261.08072	3.3
262.98053	3.6
267.03427	5.0
268.20074	2.0
278.95227	74.9
279.09119	91.3
279.95535	4.7
280.90515	5.6
284.04514	2.2
296.87946	33.4
300.86185	5.8
301.07364	2.5
309.17538	2.1
318.86136	3.0
319.08441	26.7
360.87189	5.4
361.02661	5.8
361.12427	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	361.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38393	1.3
55.05514	1.9
56.96557	5.2
59.02230	1.2
69.03388	1.2
69.79455	4.5
70.06583	7.9
72.07837	1.3
72.08156	13.8
73.08466	2.5
77.96201	1.1
81.07053	2.1
84.04491	3.5
84.08137	3.0
84.96020	4.2
86.09693	11.7
91.05487	1.4
98.97579	18.0
108.04496	1.7
110.97576	4.8
116.01699	1.6
116.07107	2.2
116.98595	8.7
119.05013	1.3
120.08126	1.7
121.02863	3.5
121.06503	2.5
125.09592	2.9
128.98604	5.2
129.10217	1.4
129.33131	1.5
132.10164	2.5
134.99666	4.4
136.03918	2.1
137.02368	2.0
137.96965	1.2
140.01686	1.6
140.98572	1.5
142.03239	4.2
143.00185	1.8
146.99626	2.5
147.04410	3.1
151.00334	1.3
152.98602	2.1
153.27414	1.3
158.99678	4.6
161.01289	1.8
170.02753	1.3
170.99757	2.0
177.00702	3.7
186.02325	1.6
201.00623	1.4
201.12334	1.6
217.04941	1.8
219.01729	5.2
237.02803	8.0
241.03360	2.5
243.04332	2.2
255.06633	2.6
259.04462	2.2
265.04639	1.5
272.06320	3.9
273.03830	9.0
275.07974	3.7
282.04758	1.8
293.09048	29.9
293.11719	1.2
311.10187	3.1
317.09030	1.9
330.50000	1.4
335.10120	5.8
343.04306	1.7
361.09204	5.3
361.14627	100.0
361.17841	4.8
362.15045	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	361.0914
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.03156	0.3
57.85951	0.2
61.05527	0.2
61.43503	0.2
63.44391	0.2
63.50328	0.2
68.99791	0.3
69.77595	0.3
69.77985	0.4
80.02635	0.2
87.33977	0.2
91.05447	0.2
93.75438	0.2
98.23385	0.3
108.02089	6.8
127.03924	0.2
129.01830	0.3
133.02879	0.5
135.04341	0.2
136.01543	2.9
139.00235	0.2
140.01045	0.2
149.02295	1.2
150.00706	0.2
152.01054	0.4
153.01781	0.3
154.02588	3.7
155.04918	0.4
157.04877	0.2
159.04446	0.2
164.04668	11.9
165.05466	4.1
167.03383	3.3
168.00552	0.7
169.01280	0.9
173.06007	0.7
178.06236	0.4
181.04927	0.5
183.02980	0.2
183.04419	0.8
184.05194	0.7
185.00800	0.4
185.05984	0.2
186.01596	0.7
187.03844	0.3
198.06712	0.6
201.05467	2.4
211.03894	0.6
212.04637	0.4
213.05434	0.6
216.07832	0.4
217.04979	0.3
219.02849	0.2
226.06215	0.4
227.07133	0.3
229.04932	4.7
239.03603	0.2
241.05072	0.3
243.06447	0.5
245.04414	0.5
257.04483	2.9
258.05011	0.2
271.02441	0.2
272.06763	3.1
274.04575	0.4
275.05399	1.7
278.06940	0.5
285.03891	8.2
286.04272	0.5
296.08163	0.3
300.06247	34.5
301.03351	0.4
301.06503	1.8
302.04077	1.2
303.04868	2.0
313.03342	2.4
314.04001	0.3
315.05008	0.3
316.05759	0.7
317.06503	1.6
318.07291	0.6
327.04974	0.4
328.05728	28.2
329.06104	1.8
330.03616	1.5
331.04379	2.4
332.05045	0.4
343.07971	0.3
345.06021	2.9
346.06781	25.5
347.07162	1.6
361.09122	100.0
362.09439	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	361.0917
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
50.69036	0.2
56.02625	0.3
61.46328	0.2
65.28611	0.2
68.99722	0.9
69.03366	0.3
71.01298	0.3
83.85249	0.2
84.02058	0.6
85.02821	0.2
90.67665	0.2
91.05407	0.3
98.23533	0.4
98.51008	0.2
99.00775	0.4
109.02850	0.2
112.01567	2.1
119.04855	0.5
121.04420	0.2
127.00159	0.6
127.03870	0.4
131.04919	0.2
135.04326	0.3
137.02284	0.4
139.00217	0.2
140.01038	2.6
146.41586	0.2
147.04333	0.5
149.93353	0.2
153.05423	0.2
159.04355	0.3
163.03876	1.4
165.01688	0.3
166.99683	0.4
168.00533	9.7
169.01314	7.2
170.01508	0.2
178.06218	4.1
179.07025	1.2
180.07733	0.2
181.04901	2.4
183.04416	0.3
185.00832	0.9
186.01561	4.1
186.04205	0.2
187.03827	1.0
196.02765	0.2
201.05482	0.3
205.04909	0.5
207.06448	0.4
211.03812	0.3
215.03316	0.2
217.04865	0.6
229.04933	20.5
230.05246	1.0
232.03555	0.4
239.03264	0.5
245.04343	0.6
247.06052	0.3
257.04440	3.3
260.03040	0.3
267.02872	0.2
271.05957	0.2
272.06641	0.2
273.03873	0.6
274.04727	0.2
275.05524	1.5
285.03888	6.6
286.04227	0.3
287.05392	0.3
288.02628	0.7
300.02539	0.6
300.06219	3.2
301.03363	0.8
301.06769	0.4
302.04263	1.3
303.04990	1.7
314.04251	0.2
315.04935	1.3
315.08478	0.3
316.05685	0.4
317.03091	0.3
317.06378	1.0
318.07101	0.5
330.03659	7.4
331.04349	1.7
332.05042	0.3
343.08087	0.3
345.06018	8.5
346.06784	80.5
347.07117	4.9
347.11423	0.2
361.09131	100.0
362.09464	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	361.0916
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
63.44285	0.4
68.99723	1.3
70.45346	0.7
70.45662	0.4
90.15141	0.4
91.05441	0.8
95.08546	0.4
107.04862	0.4
117.19373	0.4
119.04932	0.6
135.04305	0.6
137.02261	1.5
140.01003	0.5
149.09680	0.4
163.03893	0.7
163.24379	0.4
163.98180	0.4
165.01750	0.6
166.99577	0.7
168.00520	2.5
169.01306	8.8
181.04807	0.8
181.55383	0.4
183.04408	0.5
185.00809	1.9
186.01605	2.0
187.03873	1.8
201.05518	0.4
205.04842	0.5
208.03751	0.4
211.03885	0.6
217.04880	0.5
229.04944	30.8
230.00941	0.4
230.05275	0.9
239.03517	0.5
245.04443	1.3
257.04416	6.0
272.06598	0.6
273.03833	1.5
275.05426	0.7
285.03909	13.3
286.04324	1.0
288.02426	0.8
299.05551	0.6
300.02933	0.5
300.06235	10.1
301.03348	1.5
301.06635	0.7
302.04214	2.7
303.05045	2.3
314.04355	0.6
315.04837	0.4
316.05664	1.1
317.06506	2.1
328.05801	1.1
329.06589	1.0
330.03644	18.6
331.04410	6.5
332.05127	1.2
343.08051	0.5
345.06033	27.4
346.06790	54.2
347.07220	3.7
361.09140	100.0
362.09518	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40383	0.5
72.08116	0.4
73.51885	0.4
73.90007	0.4
77.08052	0.4
83.32040	0.5
91.05432	0.6
103.05453	0.6
104.04977	0.5
105.04507	0.6
107.04898	0.4
119.04920	0.7
121.06500	0.9
126.01086	2.1
128.61987	0.4
129.04486	2.0
130.02861	1.3
131.04880	0.7
147.02446	1.0
147.04401	3.8
173.05171	3.6
174.03566	11.5
181.04810	1.1
185.03555	0.7
185.05118	5.7
189.04585	1.7
192.04636	3.6
193.03131	0.4
200.04950	0.7
201.04660	12.8
202.03070	9.9
213.02954	0.9
213.04662	10.2
220.04126	22.2
221.04475	0.5
225.00238	0.6
228.04385	0.8
229.04175	30.6
230.02550	35.3
231.02869	1.1
255.06294	0.5
256.03943	1.6
257.03641	100.0
258.04007	3.8
269.04416	1.8
275.04703	17.9
275.07758	0.9
276.05154	0.6
297.03891	0.4
297.15054	0.4
325.03433	2.1
325.14035	0.5
329.06552	0.5
361.09906	13.6
361.13760	0.5
362.10202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1105
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
54.54084	1.0
70.06569	2.9
72.08131	1.5
74.06062	1.0
78.58656	1.1
84.08141	4.4
84.91153	1.2
86.09677	3.3
87.10075	1.1
113.05779	1.1
129.10207	2.8
136.52719	1.0
147.04344	1.4
187.08577	1.0
204.26091	0.9
227.05203	2.1
255.06537	1.1
275.10986	8.6
295.52451	1.0
299.11063	1.5
317.12006	54.4
318.12262	2.1
319.06378	1.4
343.13528	0.9
348.37756	1.0
361.10971	100.0
362.11395	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	361.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.6
56.05042	1.1
56.96557	36.5
57.55102	0.6
64.37393	0.8
67.05486	1.4
69.07065	3.1
70.07417	0.9
71.40997	1.1
74.06091	3.4
74.97599	0.9
81.07056	4.4
84.96025	14.7
86.09693	31.5
87.10032	5.1
91.05473	1.5
95.01340	1.4
95.08603	0.8
98.97572	89.9
99.97958	0.9
102.97093	1.5
104.07069	1.3
110.96796	1.7
110.97554	28.7
112.32565	0.7
112.99141	3.2
116.07108	0.8
116.98614	38.3
119.04919	1.1
123.11728	2.9
124.99136	2.4
126.05508	1.2
126.97055	1.7
127.03893	0.9
128.97630	1.6
128.98592	30.5
131.00166	4.6
134.99632	11.3
140.07074	1.1
140.98557	6.9
143.00140	8.4
144.98093	5.0
146.99626	17.2
147.04367	5.5
149.01221	1.5
151.04050	0.8
152.98572	8.3
155.00159	1.2
157.05382	1.8
158.99628	15.7
159.00925	0.9
160.03970	0.9
161.01208	10.6
162.99109	5.3
165.00711	2.0
166.08574	1.4
170.99638	11.7
173.01239	2.2
173.04889	1.8
175.06418	2.4
177.00688	19.7
178.01183	0.8
179.02261	1.0
189.00699	6.4
189.05400	1.0
195.01799	2.4
195.14633	0.8
199.06396	7.1
200.02409	0.9
201.00789	3.9
205.14043	0.8
217.07469	3.8
217.15445	1.3
218.15862	1.0
218.99597	1.7
219.01743	34.3
229.07478	0.9
237.02788	60.8
238.03174	1.4
239.13820	1.6
240.14339	1.4
241.07458	4.6
242.03537	0.8
253.07558	2.2
255.03793	4.9
260.04550	1.5
301.09549	67.1
302.09872	2.5
311.17645	1.0
319.10602	100.0
320.10974	3.5
342.12326	4.6
361.11646	28.2
361.16025	1.6
362.11801	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	361.2009
Annotation	Sarcrassin E
Peak:m/z	Relative Intensity
57.87317	1.1
67.05499	2.4
68.99741	1.0
69.10121	8.7
75.42188	1.1
79.73376	1.0
81.07030	1.7
81.35353	1.0
83.28487	1.1
91.05490	1.9
93.07086	1.2
94.43726	1.2
95.08613	11.5
109.10144	4.8
110.63233	1.2
111.08066	9.4
114.11108	1.2
120.96529	1.2
129.01871	2.5
137.48839	1.3
171.07991	1.2
173.09608	1.2
179.03424	2.7
185.08165	1.3
189.05508	1.5
189.09256	1.3
193.04999	1.7
201.09294	1.3
201.47008	1.1
205.04907	2.1
217.08586	14.3
218.08946	1.2
219.10231	3.4
233.08073	5.9
234.08818	1.4
249.08989	1.9
258.04831	1.5
263.10693	1.9
264.11285	1.8
265.12006	1.5
265.15842	5.5
270.12405	1.4
278.12994	4.4
281.11902	2.4
282.12170	1.4
283.13394	1.7
293.15378	10.9
296.13998	6.6
301.14200	2.0
311.16388	4.0
329.17432	100.0
330.17801	8.5
342.99039	1.4
346.06442	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
68.81168	0.2
69.03424	2.0
70.70745	0.3
71.17709	0.2
71.26998	0.2
84.08136	0.4
85.02402	0.3
85.02894	5.6
85.78487	0.2
86.09689	0.4
94.04047	0.4
97.02885	4.1
98.97591	0.8
113.00007	15.7
115.03921	0.9
119.03581	1.3
124.91203	0.2
136.06171	100.0
137.04572	0.7
137.06636	1.2
151.01535	1.5
158.99591	0.3
170.12245	0.2
177.00734	0.4
179.01038	2.5
187.14455	0.2
191.00931	0.2
215.59740	0.2
219.01862	0.3
227.03105	2.7
330.05780	0.3
351.12662	0.2
362.04288	0.4
362.08563	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	362.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.9
59.05993	2.0
68.99795	8.2
70.02953	29.4
71.43367	2.2
72.60107	2.0
76.82715	1.8
81.04555	3.4
88.03974	2.6
91.05485	23.8
91.43055	1.9
95.05019	2.0
98.02435	6.9
103.05469	25.6
105.03377	2.9
105.07044	2.0
112.03965	100.0
115.05492	6.7
117.07027	3.8
118.06551	12.1
119.04966	4.6
120.08118	4.9
131.04921	95.8
132.05293	3.2
132.08112	3.9
134.09677	3.0
145.06491	2.6
146.06015	8.3
155.06161	2.7
159.04417	2.0
160.07536	3.7
161.06079	5.7
170.06017	6.7
173.05997	4.9
178.01385	2.3
187.03926	7.1
188.07031	5.1
198.05498	36.4
202.08612	18.1
206.99246	2.4
212.07085	5.7
215.06989	25.0
215.08662	2.2
230.08104	3.2
233.04437	4.7
240.06560	40.7
258.05005	3.5
258.07602	47.0
259.05887	4.2
276.08679	43.3
284.10782	3.0
291.10150	4.2
302.11722	3.1
326.11615	3.6
344.12698	8.7
362.10089	4.2
362.14374	22.4
386.89023	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	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01864	1.6
55.05497	1.0
56.96552	2.6
57.03435	1.7
61.02917	1.8
65.03923	1.4
67.05486	1.5
69.03416	5.4
69.30535	2.9
69.41941	0.6
70.06568	2.3
72.08145	1.1
73.02908	1.1
79.05479	1.0
80.80923	0.7
81.03403	3.6
81.07079	1.2
83.04984	0.9
85.02899	24.0
88.07636	1.0
89.25397	0.8
91.03945	1.1
91.05476	1.1
95.04924	0.7
97.02883	6.3
98.97578	10.5
99.04419	1.3
107.08579	2.0
109.02882	1.8
110.97546	1.2
116.98620	6.4
122.03587	0.9
123.04408	1.4
125.09628	2.3
126.01041	3.9
127.03934	5.2
128.98575	0.8
134.99632	1.3
137.05969	100.0
138.06284	2.9
145.04959	5.3
147.04401	2.0
148.04758	0.8
149.86574	0.7
158.99608	1.4
166.67441	0.8
168.10022	1.0
171.06590	1.2
177.00708	1.7
180.08644	2.3
181.04948	19.4
181.06413	1.5
183.06512	20.1
184.06827	0.9
191.05884	1.1
200.09167	1.4
201.04257	0.9
209.69467	0.9
219.01768	3.1
220.42850	0.9
229.19113	2.6
237.02785	3.9
243.05551	0.9
261.06424	1.8
317.09213	1.0
335.10095	2.7
362.26349	1.1
363.10275	4.9
381.10583	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	362.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07905	0.9
56.74125	0.8
56.96550	1.0
57.03437	1.4
61.02931	3.0
65.03929	1.2
67.05501	1.1
69.03430	5.4
69.40384	2.9
69.40794	2.0
70.06589	1.8
76.29091	0.8
77.49222	0.7
80.05013	6.5
80.21687	0.8
81.03416	2.0
83.04970	0.9
85.02903	23.3
91.05486	0.9
97.02877	5.5
98.97575	5.0
99.04453	0.9
107.08599	1.2
109.02885	1.9
116.98627	2.4
121.02866	2.5
122.03687	1.6
125.09641	2.3
127.03918	4.9
133.06468	1.7
137.05975	100.0
138.06319	2.5
145.04962	5.9
147.04414	1.4
153.05455	1.3
155.02155	0.8
158.99654	1.2
180.08670	1.9
181.04950	26.6
183.06514	24.8
200.09175	1.3
207.50722	0.7
219.01768	1.0
237.02896	1.6
261.06332	1.2
307.43726	0.9
335.09991	1.8
344.25555	1.0
362.12476	1.0
362.19876	0.9
363.09860	1.9
381.10745	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	362.2108
Annotation	Leu Val Met
Peak:m/z	Relative Intensity
55.05515	4.4
55.78246	0.4
56.05034	2.4
56.68537	0.4
57.05814	0.9
58.06602	0.5
61.01123	0.6
67.05502	0.6
69.03444	0.5
69.07067	7.1
70.04826	0.9
70.05155	0.5
70.06586	5.1
72.08153	47.5
72.87830	0.4
73.08494	0.5
81.03420	0.5
84.08162	1.1
85.02908	0.6
86.06078	0.4
86.09702	100.0
87.10037	2.4
91.05473	0.5
93.07056	0.5
95.08662	0.5
98.23399	0.7
98.97598	0.9
100.07610	0.5
104.05315	3.5
110.77522	0.4
115.05438	0.5
116.07089	8.4
116.98649	0.6
119.04948	0.6
120.08100	11.4
121.02872	0.7
121.08521	0.6
124.04729	0.5
125.53765	0.4
129.10277	0.6
133.03181	2.3
141.85135	0.4
147.04390	0.8
150.05836	8.0
185.16490	45.9
185.87016	0.5
186.16832	1.8
205.00134	0.5
213.15974	20.1
219.14925	4.8
233.09181	0.6
247.14441	1.2
249.12714	6.9
255.06516	4.8
256.06851	0.6
265.04953	2.5
274.04373	0.5
283.05988	4.4
344.07654	2.9
362.11420	0.5
362.14761	2.4
363.11081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86964	0.8
53.03941	1.0
55.05497	4.6
56.38231	0.7
57.03436	5.4
58.06580	3.7
60.36039	0.8
67.05498	11.3
68.05009	0.9
69.60146	3.8
70.06583	17.2
71.04996	1.4
72.04505	6.5
72.08149	22.0
79.05492	4.3
79.92341	1.0
81.03413	5.4
81.07044	2.5
82.06561	1.9
83.04972	1.0
84.07725	0.9
84.08144	5.5
89.01602	0.8
91.05484	1.8
93.07031	9.5
95.04951	3.8
95.08602	34.3
95.46006	0.8
96.08188	1.0
98.09677	1.8
100.07611	100.0
101.07933	1.8
103.05439	1.2
105.07019	8.7
107.08560	1.3
108.08105	2.5
110.09668	10.5
113.01588	2.4
117.01013	2.1
120.08093	1.1
122.09677	1.4
123.08064	20.4
124.07520	0.9
124.11221	30.4
124.43521	0.9
126.09216	1.5
127.12349	1.2
129.74570	0.8
131.04903	1.5
132.05273	1.8
134.09599	1.0
141.04604	1.2
151.09874	1.1
152.10704	2.5
159.05708	45.3
160.06039	1.3
170.36519	0.9
171.11232	1.9
174.07632	1.5
174.12750	0.9
176.14304	4.1
187.14378	12.6
190.83659	0.8
194.15378	1.7
204.17046	7.9
210.34206	0.9
212.12003	4.3
230.13026	20.9
231.13550	1.1
242.83292	0.8
248.70795	0.9
256.20193	10.7
258.12570	3.9
267.69266	0.9
301.86386	0.9
308.23422	3.4
344.20938	14.3
345.16708	2.3
362.22012	57.5
363.18207	1.0
363.22382	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	362.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05497	3.0
57.03423	4.1
58.06585	3.7
65.03951	1.1
67.05502	10.1
69.03435	0.8
69.11119	3.4
69.11528	2.8
70.06234	1.5
70.06589	18.0
71.04981	1.7
72.04512	6.8
72.07788	1.7
72.08153	19.1
77.04838	1.0
79.05476	3.7
81.03407	6.8
81.07046	2.8
82.06589	0.9
84.08136	5.3
91.05464	2.1
93.07045	9.5
94.07335	1.2
95.04961	3.2
95.08603	33.3
96.04493	1.3
96.08891	1.0
98.09689	2.5
100.07611	100.0
101.07942	2.0
103.05453	2.7
104.05807	1.2
105.07019	9.3
107.04979	1.9
108.08121	2.9
110.09669	10.0
113.01532	1.6
117.01031	1.8
119.08583	1.0
121.06550	1.2
123.08067	18.0
123.10445	1.6
124.11224	33.4
125.11604	1.0
126.09120	1.4
127.12287	1.6
128.07071	1.0
128.10728	1.3
129.10213	1.1
131.04926	7.8
132.05254	3.5
149.06003	1.0
149.90446	0.9
152.10721	1.3
156.06592	0.9
159.05711	49.9
160.06053	1.1
161.59053	0.9
162.06339	0.9
167.07077	1.1
168.07339	1.4
171.11371	0.8
174.07611	2.5
174.12784	1.7
176.14330	5.6
181.08527	1.1
182.08932	1.8
187.14406	13.5
189.09132	1.2
190.09502	1.5
194.15350	2.4
195.08026	1.0
204.17058	9.0
212.11960	4.7
230.13052	21.1
254.08841	1.8
254.90630	0.9
256.20172	11.3
258.12512	4.0
286.11353	1.2
308.23233	3.3
344.20975	14.9
345.21530	1.2
362.22006	67.6
363.22302	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05497	3.0
57.03423	4.1
58.06585	3.7
65.03951	1.1
67.05502	10.1
69.03435	0.8
69.11119	3.4
69.11528	2.8
70.06234	1.5
70.06589	18.0
71.04981	1.7
72.04512	6.8
72.07788	1.7
72.08153	19.1
77.04838	1.0
79.05476	3.7
81.03407	6.8
81.07046	2.8
82.06589	0.9
84.08136	5.3
91.05464	2.1
93.07045	9.5
94.07335	1.2
95.04961	3.2
95.08603	33.3
96.04493	1.3
96.08891	1.0
98.09689	2.5
100.07611	100.0
101.07942	2.0
103.05453	2.7
104.05807	1.2
105.07019	9.3
107.04979	1.9
108.08121	2.9
110.09669	10.0
113.01532	1.6
117.01031	1.8
119.08583	1.0
121.06550	1.2
123.08067	18.0
123.10445	1.6
124.11224	33.4
125.11604	1.0
126.09120	1.4
127.12287	1.6
128.07071	1.0
128.10728	1.3
129.10213	1.1
131.04926	7.8
132.05254	3.5
149.06003	1.0
149.90446	0.9
152.10721	1.3
156.06592	0.9
159.05711	49.9
160.06053	1.1
161.59053	0.9
162.06339	0.9
167.07077	1.1
168.07339	1.4
171.11371	0.8
174.07611	2.5
174.12784	1.7
176.14330	5.6
181.08527	1.1
182.08932	1.8
187.14406	13.5
189.09132	1.2
190.09502	1.5
194.15350	2.4
195.08026	1.0
204.17058	9.0
212.11960	4.7
230.13052	21.1
254.08841	1.8
254.90630	0.9
256.20172	11.3
258.12512	4.0
286.11353	1.2
308.23233	3.3
344.20975	14.9
345.21530	1.2
362.22006	67.6
363.22302	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.5
57.07070	10.6
57.72407	0.6
58.06598	2.8
59.55676	0.7
67.05501	5.4
69.07072	1.4
69.16964	3.6
70.06588	22.3
71.04993	7.0
71.08631	5.7
79.05484	1.2
81.07028	3.3
83.08628	1.3
84.08147	0.9
85.10171	1.3
85.88689	0.5
86.09663	0.7
88.07625	30.1
89.06013	1.5
89.07939	0.7
91.05446	1.1
93.07024	1.1
95.08602	1.3
97.10156	1.2
99.08116	1.1
102.09173	21.2
105.07020	0.8
107.08582	1.4
109.10139	2.9
113.00040	0.7
113.06192	0.6
114.09167	1.8
123.11684	1.3
125.09587	1.5
132.10217	2.4
155.10646	0.7
155.14307	4.5
173.11745	5.1
173.13103	0.7
176.12866	1.4
189.11215	1.3
212.23726	0.8
238.25223	0.6
256.26331	57.4
257.26700	2.9
277.21606	1.1
300.27194	0.7
344.31775	3.6
362.32651	100.0
363.21802	0.7
363.33096	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59837	0.6
55.05516	1.5
57.07075	7.5
58.06586	2.0
67.05494	5.5
69.07049	1.2
69.86578	1.3
69.86963	1.2
70.06592	19.9
71.04988	8.1
71.08615	3.3
72.08141	1.3
81.07047	3.6
83.08604	1.2
84.08123	1.8
86.09693	2.9
88.07619	10.1
89.06023	0.8
95.08637	0.8
97.10150	1.6
102.09174	4.9
109.10143	3.4
112.49073	0.6
114.09135	1.4
123.11701	1.5
132.10202	7.5
134.84230	0.8
146.11745	8.4
155.10713	1.1
155.14281	5.5
173.11752	4.9
174.75555	0.6
189.11191	1.6
195.86659	0.6
200.94878	0.6
203.18492	0.6
204.05592	0.7
212.23727	3.0
238.25278	2.4
256.26340	18.5
257.26968	1.0
258.05746	0.6
300.28940	30.9
301.29324	1.3
344.31653	1.5
362.32611	100.0
363.32941	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	363.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	17.9
61.25611	2.5
69.03401	3.4
69.77504	2.6
69.88196	6.0
70.06591	4.7
72.08141	2.8
81.03413	12.4
86.09702	16.8
87.10037	2.8
90.58531	2.8
98.22749	4.8
98.97578	100.0
110.97553	8.0
116.07046	3.9
116.98600	50.6
121.02857	7.5
128.98619	9.2
130.05042	3.7
134.99651	14.3
146.99586	5.7
147.04402	29.7
158.93895	3.0
158.99664	12.4
173.04872	5.4
177.00648	14.0
189.00774	2.9
191.05905	10.8
205.65184	2.6
215.05957	5.3
219.01776	19.3
225.04349	3.5
237.02818	33.2
239.01196	2.8
241.85544	2.9
243.05359	6.7
255.06447	3.3
261.06531	14.3
265.04874	3.0
279.07501	10.7
303.07507	5.4
317.09171	14.0
335.10052	28.6
345.05847	13.5
363.10269	80.3
363.15753	23.0
364.10608	5.1
381.10812	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	363.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65929	5.9
56.05004	7.1
56.96552	6.9
65.09258	5.6
66.99512	6.3
68.49461	6.0
70.06599	7.5
71.42794	7.8
72.08150	16.6
83.04976	9.0
84.04493	10.8
84.08135	8.5
86.09717	9.5
90.54700	6.3
98.97551	8.3
98.98470	7.6
116.98595	6.7
120.08173	6.7
125.45786	6.9
138.05460	7.0
141.01880	6.9
147.04393	8.8
153.36761	6.2
166.05042	7.0
199.02480	9.7
202.10692	7.8
210.75935	7.7
227.01903	11.4
319.08344	7.5
345.05969	17.4
354.27209	9.0
363.06992	59.2
363.10693	100.0
363.16205	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	363.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
55.01865	1.2
57.07063	4.1
58.06599	1.2
68.99789	7.0
69.89002	2.0
70.06586	13.9
71.06930	1.1
71.08618	1.8
72.08141	1.0
79.05473	6.0
84.08132	1.4
84.97029	0.8
86.09694	2.5
88.07610	5.6
91.05471	14.8
95.01311	1.1
95.04963	3.1
102.09147	4.0
103.05455	29.6
103.41829	0.8
105.03384	15.2
105.07024	5.1
106.03709	1.1
107.01305	7.8
107.04939	7.1
109.02895	1.1
115.05442	10.2
117.07005	68.8
118.07322	2.1
119.04936	2.7
119.61274	0.8
125.02348	2.4
128.06200	4.4
129.06987	18.9
131.04912	87.0
132.05252	3.0
132.10182	7.0
135.00754	2.9
139.05415	2.0
141.06950	9.7
143.04906	2.5
145.06471	19.7
146.11778	4.9
147.04382	1.8
151.03894	1.6
153.06956	1.6
155.04865	3.5
155.06067	2.6
157.06470	17.5
161.05989	3.5
165.06964	5.7
166.95305	1.2
167.04915	3.6
167.08580	2.0
169.06464	4.4
171.04358	7.1
173.05939	3.3
173.17795	0.9
183.08055	2.6
185.05948	26.2
186.06337	1.1
187.07547	1.8
188.28065	0.8
189.05533	1.2
193.06480	1.8
193.10078	2.0
195.04420	6.5
197.05930	9.0
199.03934	2.1
203.07007	21.7
211.07529	3.4
213.05441	18.3
214.05847	0.9
215.06993	2.8
217.05107	0.8
221.05908	1.8
231.06480	14.6
239.06995	12.8
241.04979	4.6
251.04799	0.9
253.10074	1.2
256.26315	8.1
257.07986	10.1
257.26645	3.0
258.08408	1.0
259.05988	51.9
260.06345	3.2
271.11072	1.9
277.07028	100.0
278.07248	4.5
281.09558	1.0
289.12082	1.8
299.10522	1.6
300.28925	16.9
301.29337	7.4
330.90454	0.9
345.11179	3.6
362.32599	39.9
363.12213	18.9
363.32941	22.3
364.12509	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	363.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57475	0.4
55.01859	1.1
57.06862	0.4
57.07069	4.2
58.06576	1.0
68.99782	4.0
69.18221	2.1
69.18628	1.0
70.06588	12.2
71.06909	0.5
71.08609	1.6
72.08148	0.5
77.03916	0.9
79.05483	1.0
81.06257	0.4
82.59922	0.4
83.53516	0.4
84.08126	1.1
85.10189	0.5
86.09686	2.0
88.07125	0.6
88.07621	5.5
91.05478	5.3
95.01306	0.5
95.04955	1.0
102.09167	3.5
103.05456	18.7
104.05824	0.7
105.03386	6.6
105.04472	0.6
105.07031	3.5
107.01301	1.0
107.04951	1.0
113.02386	0.7
114.63013	0.5
115.05434	4.3
117.07008	22.1
118.07338	0.5
119.04910	0.5
128.06218	1.3
129.06995	7.6
131.04913	68.8
132.05247	1.8
132.10185	4.3
139.05435	3.7
141.06978	10.3
143.04926	1.8
144.05690	2.9
145.06465	14.3
146.11723	4.3
153.06958	1.4
154.99643	0.8
155.04910	1.6
155.06046	1.3
157.02817	0.5
157.06490	7.2
159.08040	0.7
165.06999	1.0
167.04898	7.7
169.06465	4.7
171.04417	4.8
173.06007	2.1
185.05975	9.7
186.06406	0.6
187.07535	7.2
193.10162	0.4
195.04375	7.0
197.05959	9.1
199.03772	0.9
203.06984	2.8
211.07542	0.9
212.23679	1.3
213.05441	12.5
214.06018	0.6
215.06998	2.1
217.05084	1.1
223.03775	0.5
231.06517	3.2
238.25294	0.5
239.07028	1.5
241.04965	6.8
256.26334	7.6
257.26584	2.8
259.05988	100.0
260.01898	0.5
260.06393	4.7
277.07047	9.1
289.12332	0.8
300.28940	12.8
300.32245	0.8
301.12222	2.1
301.29276	4.6
303.10242	0.9
317.11646	1.1
319.13205	1.3
327.10324	0.6
334.44351	0.4
344.31277	0.6
345.11099	0.9
362.32593	35.9
363.12250	18.4
363.32944	18.1
364.12637	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56376	0.9
55.01865	1.4
57.07064	3.1
58.06602	1.1
59.39853	1.0
64.31676	0.9
68.99781	8.4
69.50220	4.3
70.06583	8.9
71.08636	2.0
77.03925	1.8
79.01810	1.3
79.05483	8.9
85.02902	1.0
86.09682	1.5
88.07655	3.3
90.35571	1.0
91.05476	14.0
95.04958	2.6
98.23476	1.7
102.09176	2.5
103.05459	29.5
103.27375	1.0
104.05815	1.1
105.03382	17.3
105.07018	5.6
107.01310	9.6
107.04956	8.0
115.05456	11.0
117.07014	75.5
118.07336	2.7
119.04945	3.8
125.02355	3.5
127.10064	0.8
128.06207	3.4
129.06993	22.8
130.07364	1.0
131.04918	95.2
132.05296	2.6
132.10197	2.9
135.00769	2.3
136.43356	0.9
139.05380	2.1
141.06979	10.6
143.04927	2.7
145.06473	22.5
146.11749	2.3
147.04404	1.3
151.03937	2.1
152.06213	1.7
153.01790	2.2
153.07010	1.5
153.23056	0.8
155.04880	3.3
155.06064	3.4
157.06468	16.5
157.07663	1.5
161.05980	1.3
164.18866	1.0
165.07007	6.2
167.04926	1.9
167.08572	2.3
169.06483	4.6
171.04416	8.9
173.05937	5.0
183.08072	2.3
185.05969	30.4
186.06502	1.9
187.07532	2.3
189.05508	2.0
193.06538	2.1
193.10104	3.1
194.19167	1.1
195.04399	7.1
197.05940	9.2
199.03920	3.8
203.07004	21.1
211.07489	4.8
213.05450	20.7
213.07304	1.9
215.07037	2.3
221.05946	1.5
231.06523	13.5
239.06956	15.3
241.04907	5.7
253.10156	1.7
256.26276	6.4
257.08057	13.3
257.26593	1.9
259.06003	74.1
260.06348	3.3
277.07053	100.0
278.07318	4.9
289.12192	3.9
300.28928	10.5
301.29245	4.5
317.11652	2.3
329.98749	1.1
344.50797	1.1
345.11069	3.3
362.32596	29.3
363.12241	20.3
363.32901	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	363.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36370	0.9
53.03931	1.6
54.87704	0.9
55.01873	1.2
56.96561	6.1
64.91228	1.0
65.03944	5.3
67.05496	2.7
69.03423	2.7
79.05506	1.8
79.39345	0.9
81.03416	19.5
82.04182	2.2
84.96038	1.5
85.02909	9.6
91.91379	1.0
95.04967	2.8
97.02893	2.9
97.06527	2.6
98.97581	28.3
105.07079	1.0
108.02105	2.1
110.03681	2.0
110.97579	3.0
111.04435	1.6
116.98613	11.1
123.04441	1.2
125.06013	1.9
128.98622	3.6
129.05434	1.4
134.99632	5.1
137.06000	9.2
138.03157	2.1
138.06306	7.3
146.99677	1.4
151.03964	1.3
153.05457	3.8
153.06665	1.0
158.99689	4.5
167.07053	3.3
171.06509	5.8
173.04839	1.3
177.00705	4.6
181.04944	100.0
182.05304	3.4
184.06744	1.7
191.05913	3.3
203.06892	1.3
213.02917	1.3
215.05919	1.8
217.08398	1.1
219.01749	5.0
227.09210	1.2
231.03961	1.9
237.02861	9.2
243.05518	1.8
257.06873	1.7
259.03510	2.8
261.06470	4.0
277.79398	1.1
317.09039	1.9
335.10172	6.8
345.08801	1.4
363.10089	11.6
364.21960	1.1
381.10587	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	363.1799
Annotation	gibberellin A25
Peak:m/z	Relative Intensity
54.65798	26.1
59.04993	77.1
59.40514	25.4
69.89481	44.8
69.89809	65.4
79.02385	31.4
79.05519	50.4
81.07050	71.8
87.00818	28.0
91.05469	42.0
93.07009	36.1
95.08589	56.2
97.02913	49.5
105.07033	100.0
117.05506	58.1
117.07059	36.5
119.08597	75.9
133.10141	33.7
145.10110	51.0
146.73541	30.4
157.10147	38.5
159.11749	37.4
161.27017	36.4
171.11575	29.9
183.11673	39.6
187.14810	91.1
188.15152	32.3
204.26740	33.6
217.45847	30.9
225.16434	27.5
237.20100	35.1
253.15791	41.7
271.16919	82.6
299.16260	46.4
302.17575	67.5
345.17065	72.2
363.08405	82.1
363.18054	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	363.1803
Annotation	Gibberellin A38
Peak:m/z	Relative Intensity
55.01863	4.4
57.03429	2.2
59.87052	2.4
67.05499	4.9
69.03437	13.4
69.07058	5.7
69.17875	5.0
69.18288	6.8
70.06602	1.8
71.04980	2.1
72.04501	7.0
72.08208	2.2
73.02905	3.0
75.95333	2.0
79.05491	8.3
81.03408	6.5
81.07047	8.0
81.36372	1.9
83.08556	2.6
85.02924	3.3
85.06522	3.1
90.05543	10.2
91.05466	9.9
93.07030	10.2
95.04990	5.1
95.08600	6.0
97.02885	4.7
97.06506	4.0
98.02367	2.6
98.23528	4.5
99.04411	2.5
103.05422	3.0
105.07036	9.3
107.04955	9.4
107.08562	7.3
109.02882	6.8
113.05981	2.7
114.05537	3.3
115.05431	5.1
116.03455	6.0
117.07015	3.5
119.04909	2.6
119.08536	4.2
124.07591	6.5
127.03909	4.7
128.06221	4.7
129.06990	3.1
131.04932	4.0
131.08580	4.7
133.06482	2.9
135.08112	3.4
137.05980	4.1
138.05496	4.1
141.07030	2.5
142.08630	3.7
143.08562	8.5
145.06458	5.1
147.04399	2.3
149.06030	3.3
153.06979	2.9
155.08543	6.3
159.08081	5.4
161.05998	7.2
163.03938	17.9
163.07585	9.8
165.05479	11.2
165.06999	5.3
166.07825	2.1
169.10106	2.6
171.08023	6.4
173.05951	3.9
173.09602	6.3
174.07625	3.7
175.07561	8.1
177.05507	17.2
177.08986	3.0
178.07780	3.2
179.08575	5.5
181.05025	4.7
181.06436	2.7
181.10072	3.4
183.08115	5.8
184.09740	6.8
185.09595	3.6
187.07545	4.9
189.05516	13.7
189.09122	7.5
191.07033	14.6
191.08545	3.2
192.09325	3.1
193.10149	5.8
195.08125	3.4
195.11705	3.2
197.06038	2.2
197.09602	6.9
199.07578	4.2
201.05423	2.9
201.09151	14.1
202.10745	19.3
203.06985	28.6
203.08568	3.1
205.10249	2.9
207.08087	4.2
207.11716	3.7
208.08806	4.4
209.09630	6.3
211.07623	5.3
213.09111	4.6
214.06131	3.0
215.06975	4.5
215.10704	4.6
217.08586	75.8
218.08994	3.1
219.08185	4.6
220.08884	3.2
220.11893	8.7
221.05896	2.4
221.07881	2.5
221.09772	4.8
222.10297	3.1
223.07550	4.2
223.11253	9.7
224.08328	2.8
225.09138	8.7
226.10042	2.1
227.07072	3.4
227.10609	3.5
228.07785	10.2
229.08582	27.2
231.10133	3.1
233.09683	8.3
234.10258	6.2
235.07486	5.6
235.09651	13.6
235.11562	3.9
236.11823	2.1
237.09082	7.2
237.12794	4.2
238.09758	6.0
239.06992	3.7
239.10674	5.7
240.07739	3.0
240.11479	4.1
241.08617	4.6
241.12222	2.8
243.10138	14.7
244.10826	2.4
248.12024	5.0
249.09050	6.5
249.12801	4.0
250.09828	3.6
251.07141	3.7
251.10599	13.6
251.14276	2.5
252.07913	2.4
252.11481	4.8
253.08534	9.7
253.12303	7.2
254.09367	7.7
255.10216	6.1
255.13933	3.3
257.15359	5.2
259.09674	4.8
261.08997	4.0
262.12781	2.6
263.10800	7.6
263.14325	7.9
264.11484	4.7
265.08762	4.2
265.12244	7.5
266.09351	5.8
266.12943	4.1
267.10336	10.4
267.13834	8.8
268.10880	9.8
269.11755	22.9
269.14664	3.6
271.13220	2.5
274.11990	7.0
276.11383	4.8
279.10226	7.2
279.13840	11.3
280.11002	3.7
281.11752	18.8
281.15390	13.1
282.12503	11.1
283.13281	9.6
284.10419	2.5
285.11334	2.3
285.14682	4.9
287.12900	5.9
291.13733	14.9
294.12549	15.1
297.14825	36.5
299.12796	13.9
299.16470	12.6
309.14835	52.2
310.15451	3.7
312.13583	7.2
315.15912	14.1
317.13812	9.0
317.17203	3.2
327.15897	64.9
328.13840	4.9
345.16980	100.0
346.17346	4.1
363.08331	4.1
363.13629	4.9
363.18039	87.9
364.15469	3.8
364.18665	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1805
Annotation	Gibberellin A38
Peak:m/z	Relative Intensity
50.91819	1.5
53.03936	2.6
53.45479	1.6
55.12290	1.8
64.89840	1.8
67.05526	8.3
70.74764	3.6
74.20940	1.7
79.05473	3.4
81.07048	4.7
91.05508	9.1
93.06458	2.5
93.07039	28.4
95.04943	4.2
95.33363	1.6
100.19713	1.8
105.04513	2.0
105.07014	2.6
111.08080	19.2
115.05432	2.6
117.07032	2.1
119.08578	3.2
125.68445	1.6
129.06973	2.5
131.04886	2.1
131.08548	2.3
143.08566	2.8
145.06546	3.3
147.04411	2.0
149.05956	2.4
153.06984	1.9
155.08493	3.2
161.05942	2.4
163.07518	12.9
165.05423	1.8
166.07715	1.7
169.06488	1.8
171.08105	3.1
175.07571	5.6
177.05492	4.4
181.06516	1.9
181.10135	2.0
183.08051	3.1
187.07585	3.2
189.05452	3.7
189.09128	2.5
191.06987	2.5
193.10138	3.5
195.08070	2.9
199.07510	3.5
201.09099	2.9
203.07007	16.3
203.08676	2.5
205.08589	2.2
206.10902	2.8
209.09653	5.5
211.07579	5.2
213.09113	6.0
215.06880	2.4
216.98116	1.8
217.08517	9.1
220.08807	3.3
221.09607	7.1
222.10220	2.8
223.11166	3.3
225.09062	1.9
226.09784	2.9
227.07059	1.9
227.10741	2.4
229.08578	15.9
234.10381	2.3
237.09070	6.3
238.09808	4.1
239.07002	3.3
239.10666	4.0
240.07753	2.7
241.08603	2.6
241.12175	3.5
243.10184	3.1
249.09148	3.1
249.12726	2.9
250.09895	3.9
251.10551	5.5
251.14220	4.5
252.11469	2.2
253.08604	4.4
253.12227	2.8
254.09338	7.2
255.10121	9.7
255.13748	2.9
259.03525	2.2
261.12759	3.6
263.10452	2.3
263.14374	6.1
264.11462	4.1
265.12253	3.1
267.10190	5.3
267.13776	9.4
268.10919	3.8
269.11731	20.1
269.15067	3.2
279.13901	16.5
280.14145	2.3
281.11816	5.5
281.15353	14.1
282.12527	3.2
283.13272	2.9
285.14856	3.9
291.13870	2.8
297.14853	100.0
298.15222	7.4
299.12866	4.5
299.16495	5.0
309.14847	20.9
315.15918	34.2
327.15927	22.6
345.16962	19.6
346.17233	2.0
363.08841	1.8
363.17932	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1801
Annotation	gibberellin A25
Peak:m/z	Relative Intensity
54.80405	17.0
69.59608	74.9
80.35258	19.4
81.07056	30.4
91.05482	100.0
98.22715	33.7
101.53788	17.3
105.07025	23.0
119.08578	19.3
145.10167	22.1
169.10107	20.1
187.14790	22.9
231.14783	18.8
253.15892	25.6
271.16977	48.4
299.16376	36.2
345.16974	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	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.3
57.07074	11.5
67.05492	3.5
69.07061	3.6
69.82032	7.2
71.08631	6.6
73.02914	4.4
79.05484	3.7
81.07055	8.5
83.08602	2.3
85.06541	4.7
89.06016	12.4
89.84271	2.5
91.05472	2.9
93.07033	3.5
95.08598	12.1
99.08092	2.1
105.07018	3.7
107.08614	4.9
109.06510	18.5
119.08582	4.7
123.08054	30.2
129.37001	2.4
129.52246	2.4
130.47935	2.1
145.10136	2.6
179.14293	95.3
180.14638	3.8
193.15863	4.1
235.57944	2.5
269.29263	2.3
270.20425	2.5
331.26291	3.4
336.64529	2.5
363.28918	100.0
364.29190	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	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97282	8.9
57.07073	12.2
64.67616	9.8
69.12928	31.4
69.13360	38.9
89.06020	12.5
98.22691	23.4
123.08107	10.7
131.69624	10.4
160.13408	9.3
179.14273	81.0
184.82581	8.5
363.28906	100.0
386.47372	10.6
387.66379	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	363.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46450	0.7
52.59149	0.7
54.69931	0.8
55.05499	1.3
56.19003	0.7
57.07072	42.9
58.07376	0.7
69.07057	2.5
70.79092	0.7
71.08624	32.4
73.06551	4.0
83.08614	1.3
83.69484	0.7
85.10172	19.4
87.04440	2.0
87.04969	0.7
89.06023	100.0
90.06382	1.3
95.08597	1.0
97.10151	2.9
99.11743	2.8
107.07057	7.2
111.11687	1.1
113.13293	1.5
117.09123	0.8
127.14797	0.8
130.08640	2.0
133.08591	27.7
136.97144	0.9
151.09683	4.3
169.19484	1.6
177.11180	6.3
195.12271	14.6
196.67052	0.7
225.10732	0.8
257.21927	0.9
363.30991	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	363.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.07072	90.3
59.51936	0.9
60.45646	0.9
67.05500	2.2
69.07073	6.7
69.20302	1.0
71.08626	70.5
72.08977	1.3
73.06551	2.1
81.07056	1.7
83.08603	1.7
85.10176	45.8
87.04517	1.0
89.06025	100.0
90.06373	1.3
93.06990	1.1
95.08576	1.1
97.10173	3.8
99.11720	8.6
107.07056	8.2
107.08571	1.6
111.11736	2.5
113.13289	3.3
119.08568	0.8
120.73164	0.9
130.08589	1.3
133.08594	39.7
134.08951	1.0
151.09618	7.2
172.72847	1.1
177.11197	9.4
195.12257	38.0
261.03909	0.9
287.60233	1.2
363.25409	4.7
363.31046	7.5
364.32138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16330	0.9
53.03941	3.0
55.01871	28.5
57.03431	7.0
57.07071	8.8
58.32256	0.9
59.04997	4.0
61.02915	2.4
64.27278	1.0
66.32436	1.1
67.05505	6.6
68.05130	0.9
69.03429	25.1
69.07072	7.0
69.99487	2.2
70.02951	8.0
71.04983	3.8
72.04517	38.5
72.04922	1.8
73.02917	18.0
73.97796	1.0
74.02443	2.3
77.56716	1.1
81.03418	29.7
81.03901	1.6
81.93866	1.1
83.01387	1.2
83.04993	4.3
85.02903	38.0
85.06540	9.9
86.09720	4.5
87.08114	4.5
90.05555	25.2
95.04958	8.6
96.08139	1.7
97.02894	23.5
98.02411	20.3
98.22882	1.6
99.04456	10.7
99.34721	1.0
100.03991	7.5
101.02389	1.7
103.03951	2.3
103.07607	7.0
109.02879	24.2
110.03154	1.2
112.07616	1.5
113.06004	8.3
115.03936	1.4
116.03453	23.6
122.07154	3.0
124.07588	23.8
127.03902	35.0
130.08675	2.8
131.07066	4.2
132.06583	4.2
132.10179	2.5
139.03917	4.0
142.00571	2.6
142.08632	19.1
144.04791	2.1
145.04950	9.3
148.09723	1.7
156.10196	1.9
157.04962	1.5
160.09698	7.8
166.08630	2.1
167.07054	8.8
169.05019	1.2
169.85880	1.2
172.09663	2.1
174.11256	8.9
176.08307	2.5
181.04883	1.5
184.01543	1.4
184.09683	33.8
184.11241	2.0
185.04288	2.6
186.01772	1.1
187.06021	20.0
187.07591	1.8
196.67220	1.1
198.07626	4.2
199.06023	37.1
199.07893	2.1
202.10738	100.0
203.05325	3.6
203.11282	3.0
204.07713	1.9
205.07077	15.2
211.09718	3.6
216.08740	4.7
217.07089	30.4
220.11781	25.1
221.12141	1.5
222.08690	5.1
234.09706	39.3
234.12042	2.2
244.11879	2.0
262.12857	6.5
274.71570	1.1
290.00256	1.1
310.12875	2.7
328.13937	15.2
346.14899	23.3
364.16037	35.6
365.10388	7.4
365.16049	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	364.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05494	0.8
55.45596	0.2
57.03430	0.4
57.26933	0.2
60.88646	0.2
65.03921	0.2
67.05516	1.1
67.92323	0.2
69.03414	0.6
69.07049	0.5
69.29028	0.6
69.29435	0.6
71.04976	0.4
72.54944	0.2
79.05497	1.1
81.03416	3.9
81.07045	1.0
83.04972	0.7
83.08620	1.1
85.02886	0.6
91.05482	1.9
93.07027	0.7
94.04045	0.6
95.04974	1.4
95.08582	0.4
97.02893	0.4
97.06516	0.7
105.07003	1.2
107.04960	0.3
107.08589	0.6
109.06514	0.2
109.10146	0.2
111.04383	0.2
111.08053	0.5
119.03543	1.5
119.04938	0.5
119.08574	1.1
120.08896	0.2
121.02842	0.2
121.10173	0.5
122.05987	0.2
123.08070	0.3
129.06972	0.6
131.08530	0.4
133.06512	0.2
133.10115	0.4
136.06177	100.0
137.04558	0.7
137.06645	1.3
140.07082	0.2
145.10092	0.3
147.04402	1.8
147.06792	0.4
147.08051	0.2
147.11661	0.6
149.05928	0.5
149.09686	0.3
152.05652	0.3
153.03983	0.2
157.10078	0.6
163.14804	0.2
174.07813	1.2
175.11134	0.8
177.07811	0.2
190.44238	0.2
193.12196	1.9
202.12328	0.4
211.13272	2.4
220.80449	0.2
235.06091	0.3
238.06352	0.2
273.13623	0.8
300.18405	0.3
302.14157	0.2
302.17453	5.1
303.17746	0.4
310.16702	0.4
320.18533	0.9
328.17667	0.6
329.17313	0.2
344.05429	0.2
346.18817	1.7
346.23523	0.2
347.18497	0.3
364.19766	27.5
365.11035	0.3
365.19974	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	364.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
57.07066	0.4
67.05497	2.3
69.07063	0.5
77.03912	0.4
79.05493	4.0
81.07041	2.0
91.05482	2.4
93.07043	2.1
94.91249	0.3
95.04968	1.3
95.08604	1.5
103.05454	2.8
105.07024	100.0
106.07342	2.5
107.04956	0.4
107.08586	1.2
109.06593	0.3
109.10159	0.7
117.07034	0.4
119.04975	1.3
119.08578	1.5
121.06497	2.1
121.10105	0.4
129.06982	0.8
131.08556	0.8
133.10091	0.4
135.08070	0.7
141.84218	0.3
143.08505	0.4
145.06479	0.5
145.10100	0.3
147.08040	6.7
149.09613	5.9
157.10155	0.4
163.11201	0.7
165.09105	10.7
166.09428	0.3
173.09624	0.6
185.13156	0.5
191.10692	0.6
194.36290	0.3
223.11183	0.4
225.12682	1.5
241.12311	0.4
251.14343	1.2
305.24765	2.0
364.22647	1.4
364.32147	2.4
365.24704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22488	0.5
53.03918	1.4
54.01765	0.5
54.47990	0.6
55.01855	1.2
55.05507	26.3
57.03405	1.4
57.07047	1.9
58.65981	0.5
60.08160	3.9
61.11523	0.5
65.03928	2.4
67.05499	61.3
68.05795	0.7
69.03419	0.6
69.07063	23.0
71.04996	2.4
73.02904	2.6
77.03889	0.8
79.05487	39.8
80.05792	0.6
81.07050	48.7
82.07355	1.0
82.31389	0.5
83.04945	1.4
83.08611	6.7
85.06506	1.5
86.09681	1.6
87.04443	0.8
91.05473	17.4
93.07038	41.6
94.07366	1.4
95.04964	5.0
95.08597	33.2
96.08917	0.7
97.06492	1.8
97.10152	2.4
97.25092	0.5
99.04436	3.5
99.08092	0.8
101.05957	0.6
101.56648	0.5
105.04477	1.9
105.07020	8.6
107.08580	23.8
108.08928	0.7
109.06494	1.6
109.09431	0.9
109.10147	12.1
111.08038	0.6
117.06964	1.6
119.08570	5.8
121.06495	0.6
121.10131	12.2
123.08062	0.8
123.11690	2.6
131.08551	2.1
133.10114	3.8
135.08000	0.9
135.11676	5.5
143.08562	0.6
145.10080	1.9
147.11679	2.1
149.09575	0.6
149.13220	4.3
159.11630	0.9
161.13260	1.4
163.14789	1.3
171.11551	0.8
175.14822	0.8
185.13182	0.5
189.16357	0.6
300.50565	0.5
305.24716	82.3
306.25027	6.0
364.32059	100.0
365.32330	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	364.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01862	2.0
55.05510	30.5
56.05855	0.8
57.03424	1.1
57.07060	2.4
60.08169	4.5
65.03934	2.0
67.05502	70.2
68.05830	1.4
69.07065	27.8
69.65765	1.3
69.66149	1.2
70.04572	0.7
71.04986	2.4
73.02914	2.5
73.06535	0.8
77.03921	1.3
79.05489	43.9
81.07052	52.7
82.07384	1.5
83.04974	1.9
83.08612	9.6
85.06547	1.8
86.09708	2.0
91.05474	15.7
91.06042	0.8
93.07041	48.3
94.07368	1.1
95.04961	5.1
95.08600	39.1
96.08929	0.7
97.06525	1.9
97.10179	2.7
98.22739	1.2
99.04439	3.4
99.08062	1.4
105.04515	2.2
105.07027	9.2
107.08588	23.4
109.06509	2.2
109.10151	12.5
111.08104	0.7
117.07029	1.8
119.08581	6.8
121.10146	13.4
123.11692	4.1
131.08574	2.6
133.10118	4.3
135.11687	7.3
137.09567	1.2
145.10112	2.2
147.11696	2.3
149.13220	4.6
159.11659	1.0
161.13231	1.4
163.14909	1.3
173.13380	0.9
175.14662	0.7
179.73460	0.7
186.24893	0.7
226.46941	0.8
235.84306	0.7
305.24722	84.3
306.25061	5.9
310.76016	0.7
321.16360	0.9
336.54385	0.9
364.32065	100.0
365.32373	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	365.0326
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
57.15463	0.2
67.01855	0.5
69.77775	0.7
81.79565	0.2
91.05474	3.5
95.01311	0.3
108.94812	0.2
111.04469	0.2
118.04147	0.3
119.04930	1.1
121.02854	0.4
124.01570	1.5
138.03120	1.2
145.02826	0.4
147.04387	0.2
166.02602	0.8
167.03394	31.2
168.03731	0.7
182.99239	0.2
184.03651	0.9
185.04442	0.3
213.05521	0.2
214.06290	0.5
218.04488	1.2
219.04829	0.4
219.99280	0.2
237.05402	0.2
242.05727	6.6
243.03986	0.3
243.06345	0.6
255.06535	0.2
256.07355	1.0
257.08069	5.8
258.08401	0.5
261.35202	0.2
266.05615	0.3
267.06497	0.9
268.99094	0.2
270.05228	2.4
283.06030	1.0
284.06741	2.1
285.07556	100.0
286.07895	4.9
296.98465	0.3
306.29105	0.2
314.99478	0.4
322.10760	0.4
323.10904	0.5
342.99106	0.8
356.96896	0.2
361.00043	0.7
364.12927	0.5
365.03259	12.5
365.13031	0.7
366.03745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0328
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
53.83653	0.3
55.83183	0.3
76.34266	0.3
86.54866	0.3
89.57389	0.3
103.05475	0.9
105.03403	0.8
107.01342	0.9
131.04944	1.9
136.01567	0.4
140.34827	0.3
144.05768	0.5
151.00262	0.5
155.04860	0.3
161.03525	0.3
168.00508	0.7
168.05746	0.6
179.05013	1.1
193.01366	1.2
199.03937	0.3
211.02466	0.5
213.05420	0.4
238.06255	1.0
241.04926	0.6
242.05759	1.3
243.03870	0.3
255.06514	5.0
266.05774	0.3
267.06531	0.9
269.04507	1.1
270.05219	50.4
271.05487	2.0
278.53571	0.3
283.06000	4.7
284.03485	0.6
284.06750	5.6
285.07556	100.0
286.07874	4.8
295.05783	0.3
306.07776	0.5
309.07477	1.8
337.07040	3.1
347.18509	0.8
361.02386	0.4
365.03030	5.8
365.06601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34002	3.4
56.56330	3.6
56.96558	18.1
69.99030	7.3
69.99339	5.0
70.06593	6.4
80.39549	3.7
81.04539	4.2
84.08138	100.0
88.00858	3.5
98.97592	40.4
110.07202	5.4
110.97583	8.9
116.98666	17.9
120.08098	29.2
122.07151	11.2
127.96872	4.0
128.98579	8.4
129.10234	75.5
134.99632	4.9
140.39105	3.9
144.04799	11.4
155.04384	4.0
158.99706	8.4
161.01271	5.1
163.03902	9.0
177.00748	6.7
179.05946	7.5
203.03455	6.4
203.05869	4.0
204.07703	10.7
218.15036	6.5
219.01805	18.2
222.08746	17.3
237.02786	18.8
251.15172	4.6
259.45013	3.6
276.16968	6.0
305.09119	24.9
323.10074	40.5
365.06076	35.1
365.10968	29.9
365.21982	12.2
375.58221	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	365.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08010	0.1
51.68734	0.1
55.47167	0.2
58.58822	0.2
61.30600	0.1
64.21507	0.1
70.07221	0.3
70.07548	0.2
73.00826	0.1
78.99503	0.4
107.08783	0.2
109.00460	0.2
113.00020	1.6
127.01559	100.0
128.01918	0.7
139.01549	0.3
141.03104	1.1
145.02666	0.2
155.01085	0.2
183.00401	0.2
202.98669	3.0
224.10815	0.1
228.19556	0.2
235.01315	2.3
253.02394	0.4
295.27057	0.2
307.38242	0.2
309.01355	0.7
365.19254	0.7
371.42383	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	365.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.03435	0.5
57.07059	0.8
60.08383	0.2
65.67562	0.2
67.05490	1.0
69.03422	0.8
70.74058	0.3
78.99513	1.3
79.05504	1.2
81.07055	1.3
84.08173	0.3
89.71935	0.2
91.05477	0.9
92.61795	0.3
93.07032	0.9
95.04946	0.7
95.08605	1.1
97.06542	0.3
98.98441	0.3
105.07030	1.0
107.04939	0.5
107.08587	1.0
107.14301	0.2
109.00533	0.4
109.06528	0.8
109.10150	0.3
111.04439	0.3
113.00011	2.7
113.06009	0.7
119.08568	0.8
121.02824	0.3
121.06466	0.3
121.10131	0.4
127.01563	100.0
128.01859	0.2
129.06964	0.4
130.12259	0.4
131.08580	0.6
133.10104	0.6
135.08052	0.9
139.01540	0.8
141.03101	5.4
142.07808	0.3
143.08546	0.6
145.10109	1.1
147.07968	0.3
155.08565	0.2
157.10126	0.4
159.08069	0.2
159.11687	0.5
167.01051	0.5
169.10110	0.5
171.11714	0.4
173.13385	0.3
179.08476	0.2
187.11218	0.3
193.05109	0.3
201.12738	0.2
202.98683	13.6
216.90610	0.3
217.15930	0.3
218.31122	0.3
235.01300	18.0
273.15234	0.3
273.18500	0.9
274.60812	0.2
291.19366	0.3
294.79926	0.2
309.01544	0.5
347.22290	0.3
364.20389	0.3
365.07193	0.7
365.14966	0.3
365.19257	1.2
365.23517	0.6
386.38562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10431	0.6
57.45812	0.6
59.69356	0.6
59.90762	0.5
61.89848	0.5
69.64754	0.6
70.02659	1.5
107.63119	0.7
112.89577	0.6
185.04202	20.3
185.05870	1.0
196.87825	1.8
203.03494	1.6
203.05241	37.8
204.05553	1.2
221.04530	0.9
229.15744	0.5
236.14920	2.1
267.01999	0.8
307.22641	0.7
323.11951	0.7
365.10507	100.0
366.10876	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	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65034	0.5
101.43321	0.5
106.42513	0.5
112.89554	0.9
114.89343	1.0
125.79375	0.5
135.69948	0.5
185.04198	21.9
196.87790	1.2
203.05247	43.5
204.05482	0.8
207.01466	1.4
257.94727	0.4
261.92715	0.9
263.92532	1.1
282.28540	0.4
365.10535	100.0
366.10876	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	365.121
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06598	8.5
75.48032	2.5
76.72787	2.8
77.45535	2.6
84.08109	6.8
86.09727	2.8
93.94135	2.8
114.09194	3.9
120.08119	7.7
127.01552	3.1
129.10245	3.9
137.24429	2.9
153.03151	6.5
153.56902	3.0
168.72527	2.8
234.13609	3.1
240.10060	10.4
264.83789	3.2
285.19202	3.2
290.99045	3.3
329.59665	3.3
365.12146	100.0
366.12463	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	365.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76009	3.9
53.03938	10.1
55.01873	5.5
55.05500	13.7
65.03914	5.2
67.05491	34.7
69.03427	29.6
69.07074	4.5
70.55604	7.5
76.97945	21.3
79.05479	24.5
81.03410	100.0
81.07046	21.3
83.04971	14.5
85.06519	6.6
91.05470	37.6
93.07038	27.4
95.04971	29.3
95.08586	21.8
97.06530	4.8
105.07027	51.5
107.04942	8.6
107.08573	31.1
109.02866	14.0
109.06504	13.9
109.10162	6.3
111.04432	18.1
113.05997	6.7
115.05407	5.0
117.06992	20.2
117.35558	4.2
119.02624	6.1
119.08551	49.2
121.06470	13.0
121.10173	12.3
123.08095	6.4
123.11751	4.3
125.09661	5.0
128.06203	11.3
129.06975	22.0
130.07756	4.4
131.02585	6.1
131.04918	4.6
131.08566	23.1
133.06491	9.3
133.10117	22.6
135.08041	10.6
141.06995	11.3
142.07755	14.2
143.08554	32.3
144.09370	6.8
145.06454	9.4
145.10135	39.1
147.08014	14.7
147.11678	27.6
149.09608	4.7
151.42987	3.7
153.06918	4.8
154.07724	4.1
155.08546	13.3
156.09361	5.9
157.10101	26.7
158.10849	3.8
159.08028	9.9
159.11667	45.8
161.09584	11.7
161.13266	12.1
163.11176	34.2
165.07037	6.7
167.08589	10.7
168.09300	9.2
169.10069	18.5
170.10922	8.2
171.07990	7.1
171.11665	14.0
173.09576	20.8
173.13211	9.3
179.08554	12.3
180.09517	4.1
181.10130	10.8
183.11687	31.3
185.09566	6.7
185.13248	7.7
187.11156	15.5
192.09305	4.5
193.10129	9.4
194.10861	5.2
195.07947	4.1
195.11703	8.9
197.09622	4.8
197.13260	5.3
199.14812	10.2
203.14484	4.0
207.11649	6.7
209.13293	12.0
211.11165	6.7
213.12640	4.3
216.23463	4.5
219.09351	12.5
219.11433	4.7
221.11092	5.1
227.14299	7.7
229.12251	5.7
237.10382	13.0
237.12660	7.6
239.11938	11.0
239.82574	4.2
247.08835	6.8
255.11423	7.5
255.13823	22.5
265.09827	9.5
273.14700	24.7
279.11386	6.4
283.10910	9.1
297.86746	4.3
347.14017	12.0
365.11469	12.1
365.15170	12.8
365.24500	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	365.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.5
55.01867	4.6
55.05501	8.5
57.03433	3.7
67.05502	39.8
69.03426	32.0
69.07059	8.7
71.42316	4.6
76.97948	23.1
77.63023	3.2
79.05492	19.8
81.03409	100.0
81.07062	29.6
83.04980	19.3
85.06541	6.5
88.60085	3.6
88.69923	3.1
91.05487	31.4
93.07048	22.3
95.04952	22.1
95.08628	18.1
97.06492	6.2
105.07020	47.7
106.05368	3.3
107.04931	7.8
107.08591	31.2
109.02877	12.1
109.06512	15.5
109.10172	5.7
111.04424	18.6
113.05998	5.1
115.05406	4.9
117.06997	17.8
119.02628	7.0
119.04935	6.8
119.08569	44.0
121.06532	9.9
121.10162	9.4
123.08006	3.7
125.09621	6.8
127.01578	22.6
128.04616	3.5
128.06221	8.0
129.01979	5.2
129.06990	13.3
130.07750	4.1
131.08565	23.5
133.00487	3.6
133.06517	8.3
133.10124	21.6
135.08041	10.0
137.09634	4.0
139.07625	3.2
141.07022	8.2
142.07753	13.8
143.08554	31.0
145.06503	6.2
145.10104	38.4
147.08080	16.3
147.11671	27.1
149.09564	4.8
153.07025	6.0
154.06306	5.9
154.07767	3.2
155.08530	17.9
156.09326	4.9
157.10150	25.2
158.28821	3.4
159.08044	10.2
159.11664	31.1
161.05952	4.3
161.09674	7.7
161.13260	12.4
163.11156	28.4
165.07001	7.7
165.12675	3.7
167.08542	9.9
168.09354	10.1
169.10141	19.7
170.10933	6.2
171.11707	9.5
172.08757	3.7
173.09567	16.3
173.13309	4.4
175.11162	4.5
178.08008	3.4
179.08519	7.8
180.09283	6.3
181.10109	13.0
183.08153	3.6
183.11684	25.0
185.09682	4.8
185.13367	5.3
187.11194	11.5
193.10188	7.3
194.10910	6.0
195.11681	8.5
197.09601	4.8
199.11249	6.7
200.74977	3.6
201.12665	3.9
207.11734	4.2
209.13242	10.9
211.11166	5.3
213.12929	4.2
219.09464	5.8
219.11609	3.9
222.10468	4.1
227.14404	8.0
237.10495	7.3
237.12738	12.9
239.11943	10.8
241.06322	4.0
242.80016	4.0
245.15370	3.7
247.08881	7.0
255.11511	6.5
255.13817	19.6
257.13123	4.5
263.06299	3.9
263.65985	4.0
265.09940	8.9
273.14923	25.5
273.17792	4.9
283.10873	8.3
329.13104	6.3
329.99240	3.4
347.14288	9.9
365.10141	5.6
365.13837	9.1
365.23679	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	365.1572
Annotation	Arg Cys Ser
Peak:m/z	Relative Intensity
57.03434	0.4
70.06566	1.2
84.04513	0.4
84.08129	1.3
85.02912	0.8
86.09696	2.0
90.90427	0.3
93.07015	0.3
97.02875	0.4
99.08070	0.4
105.72962	0.4
116.07096	0.6
120.08112	3.3
126.01007	0.3
127.03852	0.4
129.10219	0.4
136.06158	0.7
147.04385	0.5
163.03822	0.5
175.08630	0.4
196.06157	0.3
220.11938	0.6
229.04819	0.7
233.16534	0.6
347.22672	0.5
365.15689	100.0
366.16061	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	365.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	16.8
56.96559	22.9
57.03428	7.6
60.55738	5.0
67.05501	37.2
69.03415	27.0
69.07072	7.6
69.69925	17.9
76.97939	27.1
79.05492	26.6
81.03410	100.0
81.07058	23.6
83.04987	15.4
83.55263	5.0
91.05466	37.3
93.07032	21.5
93.66916	5.2
95.04955	20.8
95.08643	14.9
98.22750	10.4
105.01052	7.9
105.07024	49.6
107.04227	5.0
107.04979	15.1
107.08605	23.3
109.02876	10.5
109.06522	12.3
109.10143	8.5
111.04457	17.1
117.07018	19.5
119.02634	7.9
119.08585	46.4
121.06497	17.9
121.10136	12.9
123.08063	7.5
125.09644	11.5
128.06218	9.2
129.06989	14.8
131.08543	24.3
133.06483	11.8
133.10135	13.4
135.08032	9.6
142.07800	11.4
143.08566	23.6
145.06488	11.1
145.10124	47.8
147.08049	15.6
147.11667	33.3
155.08551	13.9
157.10147	20.6
159.08069	6.2
159.11688	38.3
161.09592	10.1
161.13258	12.9
163.11145	26.3
167.03448	10.8
167.08565	12.6
168.09410	9.3
169.10143	12.3
170.10922	6.7
171.08101	6.1
171.11731	10.4
173.09616	14.0
173.13370	6.1
181.10100	12.9
183.11687	31.5
187.11221	9.2
195.11751	12.0
197.09645	6.3
209.13240	9.4
213.08014	6.2
221.11139	7.9
227.14255	12.0
237.10312	15.0
237.12648	8.4
255.13675	26.9
265.09961	6.9
269.10587	24.0
273.14853	17.5
283.05981	8.4
283.10919	15.1
285.07553	44.9
287.11880	5.7
291.19464	11.2
329.13101	6.7
347.14447	8.4
365.10202	10.2
365.16830	47.5
365.23141	7.8
383.17444	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	365.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.3
53.86660	6.5
55.01869	10.8
55.05516	45.4
55.85878	6.5
56.96553	26.9
57.03427	16.7
67.05500	58.6
69.03426	37.4
69.07061	35.4
71.42529	7.3
76.97961	21.7
79.05483	43.7
80.78038	7.2
81.03409	100.0
81.07049	47.5
83.04979	20.9
83.08596	13.1
91.05487	46.4
93.07034	45.8
95.04961	26.8
95.08607	30.3
97.02898	11.9
97.06525	10.6
97.10194	16.9
104.39786	7.8
105.07006	52.8
107.04943	12.2
107.08588	40.0
109.02885	19.6
109.06531	17.7
109.10159	13.1
111.04443	14.8
117.07030	22.4
119.08578	49.2
121.06528	10.8
121.10138	15.4
122.36590	7.1
126.06625	52.0
127.01551	23.0
128.06230	13.5
129.06989	19.6
131.04909	7.5
131.08569	33.7
133.06488	16.5
133.10080	21.4
135.08028	9.2
135.11621	8.1
137.09569	8.9
142.07729	11.7
143.08527	37.2
145.10115	48.0
147.08072	19.4
147.11687	16.8
155.08607	12.2
157.10109	22.5
159.08057	9.4
159.11711	32.7
161.09608	19.4
161.13182	9.2
163.11227	22.4
169.10114	19.7
171.08134	8.7
171.11786	18.2
173.09581	19.9
181.10109	10.2
183.11693	20.8
185.13426	12.7
187.11128	10.6
209.13115	8.6
211.11142	12.8
217.07626	11.3
219.09286	8.1
223.13322	23.6
237.10556	12.4
239.11935	7.5
255.09123	9.7
255.11389	8.8
255.13765	17.9
259.08609	19.0
265.09756	10.9
267.21411	8.3
269.10626	33.0
273.14874	18.2
273.18451	14.5
273.41107	7.5
283.06061	26.7
287.11646	11.5
289.07336	9.8
291.19543	80.1
311.08606	7.7
347.09329	8.8
347.14862	14.3
365.10239	25.2
365.16666	81.4
365.23383	26.6
366.17438	18.0
383.17209	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	365.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38580	0.6
55.01871	0.8
56.96566	0.9
62.15554	0.6
67.05468	0.7
70.06585	0.7
71.42936	0.7
77.49487	0.7
79.05499	1.0
81.07066	1.6
84.04475	0.8
88.07631	1.1
91.05487	3.1
93.07029	1.4
95.04955	0.7
95.08582	1.1
98.98473	1.0
102.09174	0.9
105.07019	1.8
119.08587	1.3
121.02860	1.3
127.01579	6.9
131.08557	0.9
140.74132	0.6
147.04327	1.1
149.02335	1.7
159.11670	1.0
193.04979	2.4
195.09892	1.8
200.20111	1.2
218.04237	0.7
277.14059	9.8
329.17307	2.0
347.18237	1.0
360.01599	1.9
365.10092	3.2
365.19336	100.0
366.19214	5.2
373.99481	1.3
378.02716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02183	0.4
61.28791	0.4
67.05475	0.5
69.08995	1.8
69.09403	1.0
71.32700	0.4
79.71925	0.4
81.07050	0.5
88.07630	0.5
91.05457	0.5
92.81777	0.4
93.07066	0.5
102.36617	0.4
105.07012	0.4
111.04210	1.7
113.00016	1.1
121.96518	0.4
127.01563	57.8
128.01938	0.6
129.29985	0.5
130.26486	0.4
147.04457	0.5
149.02336	1.3
193.04909	2.0
195.09935	0.7
200.20096	1.4
202.98709	2.0
225.11093	0.5
235.01346	1.6
273.18469	0.5
277.14108	17.1
278.14438	1.1
347.18292	0.9
360.01505	0.5
365.19339	100.0
366.19296	5.9
366.23773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1959
Annotation	Xerophilusin C
Peak:m/z	Relative Intensity
55.05517	1.6
59.05009	2.5
68.13699	0.6
69.03435	0.8
69.07069	0.8
71.47672	0.9
81.07055	1.0
83.08621	0.6
85.06561	1.5
91.05480	1.6
93.07034	2.0
95.04962	0.7
95.08602	3.6
97.06530	0.9
99.08087	7.7
103.05464	0.7
107.08595	1.9
109.10162	3.2
115.05437	0.7
119.08595	2.3
121.06495	2.1
129.06992	1.2
131.04938	1.7
131.08542	1.6
133.10101	4.9
135.04401	0.8
135.08089	1.4
137.05956	1.1
137.09627	2.8
143.08578	0.9
145.06497	1.4
147.08092	1.2
149.02403	0.6
149.05988	3.0
151.03905	0.9
151.11191	1.0
157.10121	1.0
159.08031	1.5
161.05951	1.6
161.09526	0.7
162.04529	0.6
163.03955	2.6
163.07516	3.8
165.05550	4.0
169.10143	0.8
171.08122	1.0
175.07599	1.5
177.05461	16.5
177.09094	4.0
179.10686	1.9
181.10181	0.7
183.08051	0.9
185.09647	1.6
187.07584	2.0
187.11121	0.9
189.05435	3.5
189.09105	1.3
191.07011	2.6
195.06476	1.0
195.08078	1.0
195.11713	0.9
197.09616	2.3
198.64606	0.6
199.07565	1.4
199.11116	1.1
201.09116	3.9
202.06297	0.8
203.06995	7.3
203.10744	2.5
205.08646	1.2
207.06448	1.0
209.09692	0.8
211.07518	0.8
212.08429	1.4
213.09103	1.6
213.12822	0.9
214.10002	1.3
215.07060	1.0
215.10661	3.6
217.08580	9.7
217.12112	0.7
219.04730	1.1
219.06653	1.3
223.11185	2.3
225.09070	2.6
226.09622	0.8
227.07108	1.5
227.10669	3.0
228.07741	7.3
229.08624	4.9
229.12231	2.3
230.09259	1.7
231.10127	2.8
237.12738	1.4
240.11282	0.9
241.08585	2.5
241.12242	5.2
242.09358	3.3
243.10175	17.8
243.12839	1.1
243.13789	1.3
244.10599	0.8
245.11792	1.4
247.09648	2.7
251.10706	2.1
251.14284	1.4
253.08638	1.5
253.12234	3.3
255.10126	2.3
255.13814	1.8
257.11774	1.8
258.12503	7.9
259.13168	4.4
261.11261	1.7
263.10574	1.4
265.12241	1.8
265.15848	1.0
267.10184	4.9
267.12823	0.8
268.10931	3.3
269.11771	1.8
269.15359	4.5
270.12299	0.9
271.13226	6.1
276.13501	1.4
278.13116	0.9
281.11664	2.9
282.12454	4.9
283.13266	6.8
283.16876	2.4
285.15146	0.9
286.11984	1.1
287.16312	1.0
293.15341	3.0
294.15094	1.4
296.14117	3.8
300.13474	3.6
301.14316	4.1
301.17368	0.8
311.16382	14.2
319.15390	16.7
320.15833	1.2
322.10794	1.0
323.11136	0.8
329.17438	10.5
347.18503	89.2
348.18808	6.0
365.19559	100.0
366.19852	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92512	0.4
67.05489	0.5
67.12704	0.3
69.35564	1.9
98.22729	0.8
119.08604	0.6
132.51845	0.4
137.37683	0.4
160.95041	0.4
195.09908	1.9
231.10751	0.5
365.22952	100.0
366.23315	6.2
374.35492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93871	0.3
115.94173	0.2
130.72804	0.2
171.28743	0.3
195.09753	0.3
218.80588	0.2
249.14539	0.7
267.15689	0.5
272.04388	0.2
295.15109	0.5
335.21722	0.3
347.21817	0.4
365.22949	100.0
366.23315	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	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.05503	13.2
57.07060	5.5
59.42413	2.7
66.04774	3.0
67.05498	28.7
69.00110	2.8
69.03413	5.7
69.07068	16.9
78.03577	2.7
79.05478	24.3
81.07050	26.4
83.04997	7.7
83.08593	4.3
85.06551	5.2
91.05476	51.0
93.07036	43.7
95.04971	38.8
95.08580	22.9
97.06518	5.4
105.04512	4.3
105.07027	69.9
105.49130	3.0
107.04958	3.5
107.08588	36.7
109.06497	8.8
109.10135	15.0
115.05402	6.2
117.07014	14.0
119.08569	51.8
121.06481	4.7
121.10139	32.3
123.08006	4.2
123.11667	6.3
127.01524	2.9
128.06186	8.2
129.06993	14.6
131.08566	36.8
133.06483	4.3
133.10121	23.9
135.08061	11.7
135.11623	5.8
137.09624	4.9
141.06960	8.2
142.07771	12.1
143.08557	35.8
144.09282	5.0
145.06540	3.7
145.10112	43.4
147.07999	4.3
147.11685	15.0
149.09595	8.4
149.13185	4.6
153.06976	5.8
155.08551	18.4
156.09352	15.4
157.10132	33.4
158.10834	7.4
159.08067	9.4
159.11707	23.0
161.09644	15.9
161.13293	6.2
163.11148	5.3
165.06989	9.2
165.79501	3.2
166.07777	6.7
167.08545	14.9
168.09306	6.1
169.10115	28.0
170.08444	2.9
170.10832	9.5
171.07965	3.4
171.11720	23.3
173.09625	7.5
173.13266	31.8
175.11157	10.8
175.14848	3.8
178.07718	4.1
179.08586	12.0
180.09273	8.3
181.10149	16.8
182.10909	10.3
183.11687	35.6
185.09471	3.1
185.13240	12.7
185.37718	2.9
187.11159	8.9
191.14310	13.9
192.09341	9.2
193.10138	18.6
194.10881	12.2
195.11656	19.4
196.12419	6.2
197.13170	17.5
198.13965	5.8
199.11206	7.0
199.14789	6.2
201.12749	8.0
205.10081	4.0
206.10820	8.4
207.11641	27.0
208.12450	9.4
209.13293	23.3
210.13667	4.5
211.11206	6.7
211.14832	14.1
213.12715	3.6
217.10179	3.9
218.10794	6.5
219.11667	8.4
220.12550	5.3
221.09669	3.2
221.13306	15.5
222.13940	9.4
223.11215	5.8
223.14735	11.6
225.12773	7.4
225.16298	6.2
227.14183	4.0
229.09979	3.3
233.13228	9.0
234.13983	6.3
235.14763	9.5
237.16351	9.9
238.17206	3.5
239.14265	3.7
245.13269	4.6
247.14699	7.6
249.16350	14.0
253.15984	6.8
254.00029	3.6
255.17256	4.2
260.15411	3.5
263.17981	9.2
264.18503	4.1
265.15955	6.1
267.17456	8.7
269.18784	5.3
273.16357	4.1
275.17773	4.3
277.16299	2.9
277.19534	4.8
281.18991	7.6
285.18832	4.5
289.19388	4.0
291.17291	6.1
297.18488	4.7
309.18399	6.3
329.22549	5.8
337.25323	4.5
347.23615	26.8
348.23672	4.4
365.24747	100.0
366.13464	3.5
366.24991	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	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	8.7
57.07068	2.8
59.04990	3.3
60.04512	3.7
61.53701	2.1
65.03925	2.4
67.05502	17.1
69.03429	11.8
69.07054	11.2
71.04961	2.7
79.05479	14.9
81.07047	32.3
83.04970	5.1
83.08624	6.0
91.05471	27.9
93.07034	27.9
95.04958	23.6
95.08599	25.7
97.02869	3.7
97.06522	3.1
99.04473	2.4
99.49369	2.2
105.07020	45.4
106.05006	4.6
107.08584	38.5
109.06514	6.6
109.10136	16.2
111.04399	14.6
111.08095	2.4
112.06007	2.3
115.05404	5.3
117.07014	16.8
119.08568	36.3
121.06472	4.6
121.10134	16.8
123.04420	7.0
123.11662	2.5
128.06224	9.1
129.06982	12.5
130.07768	4.3
131.08548	31.7
131.33307	2.4
133.10091	18.8
135.08032	15.8
135.11636	4.6
137.05936	3.2
141.07004	5.3
142.07793	13.0
143.08524	26.7
144.09369	3.8
145.06494	3.6
145.10117	42.5
147.08005	7.8
147.11696	10.5
149.09592	4.3
155.08563	15.3
156.09311	8.9
156.64520	2.3
157.10121	43.0
158.10838	3.7
159.08073	5.5
159.11682	24.7
161.09607	8.0
161.13228	4.6
163.07549	8.2
165.06975	4.8
167.08553	6.0
168.09320	4.5
169.10136	19.1
170.10893	6.8
171.11687	27.3
172.12413	3.0
173.09615	4.7
173.13234	26.4
175.14771	2.9
179.08537	4.0
180.09357	2.8
181.10057	12.5
183.11638	19.6
184.12418	4.2
185.13219	17.5
187.14828	9.9
189.09103	2.7
189.16350	3.0
191.14326	3.9
193.10135	9.2
194.10910	4.7
195.11609	13.7
197.13232	17.4
199.14790	42.1
200.15431	4.3
201.16371	8.4
203.10655	2.8
207.11670	13.9
208.12531	4.8
209.13235	12.1
211.14815	10.1
213.12823	3.5
213.16425	3.3
217.15767	2.6
220.12335	3.5
221.13237	9.3
222.13998	4.4
223.11285	3.3
223.14764	8.6
225.16359	5.8
227.17854	3.4
232.12360	2.6
233.13261	5.0
235.14879	5.5
237.12807	2.9
237.16409	5.9
239.14072	2.4
239.17970	4.9
241.19513	7.8
243.11717	2.3
247.14783	4.7
249.12759	4.2
249.16414	8.5
251.14169	2.7
251.18010	3.4
253.15765	3.0
253.19435	4.2
255.21002	5.7
261.16461	3.1
263.14417	2.5
263.17947	7.0
265.19473	4.8
267.17514	3.9
267.21094	9.7
273.16257	3.3
277.19537	4.0
279.17554	3.0
282.20139	2.3
291.17358	6.7
297.18500	2.4
306.19452	2.7
309.18341	2.8
319.24167	4.1
320.36404	2.6
323.19965	2.6
347.23685	19.4
365.12289	4.2
365.24707	100.0
366.25000	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	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87382	2.1
55.05512	11.4
57.07067	5.9
59.05005	3.2
65.03928	3.4
67.05222	2.0
67.05506	28.5
69.03426	4.1
69.07078	10.1
70.02193	6.6
79.05495	19.5
80.31625	1.7
81.07062	22.8
83.08592	6.2
85.06512	2.5
91.05482	27.5
93.07040	31.8
95.04964	41.1
95.08599	29.9
97.06511	6.9
105.07026	46.9
105.07719	3.3
106.07370	2.9
107.08585	29.6
109.06512	9.2
109.10149	17.6
115.05437	4.3
117.06998	9.7
119.08582	44.8
121.06480	4.1
121.10121	11.5
123.08083	5.8
123.11711	3.6
128.06224	7.0
129.06998	11.2
130.07767	2.6
131.08585	23.2
133.10109	19.0
135.08064	12.5
135.11707	5.8
141.06998	9.3
142.07793	22.2
143.08574	32.3
144.09283	4.9
145.10112	34.4
147.08066	4.2
147.11700	10.3
149.09595	4.3
151.07597	2.8
153.07036	3.0
154.07816	3.0
155.08560	14.4
156.09337	16.5
157.10124	51.2
158.10779	4.1
159.08058	4.6
159.11705	30.6
161.09621	7.4
161.13330	4.2
165.06989	5.0
167.08508	7.8
168.09346	3.7
169.10120	19.8
170.10941	13.0
171.07957	3.2
171.11699	22.7
172.12344	3.6
173.09657	7.6
173.13274	10.5
175.11186	3.7
178.07803	2.7
179.08604	7.3
180.09290	5.2
181.10141	13.7
182.10909	7.1
183.11671	20.0
184.12207	3.2
185.13251	60.1
186.13658	3.3
187.11183	10.8
187.14798	12.2
189.12756	3.6
192.09167	2.6
193.10156	12.0
194.10893	7.3
195.11700	18.6
196.12410	7.4
197.13263	17.6
199.14815	9.1
201.12621	3.1
201.16409	2.9
203.14279	5.3
205.10095	3.9
205.15904	4.1
206.10858	6.9
207.11699	15.1
208.12370	9.7
209.09935	2.6
209.13237	24.1
210.13777	2.3
211.11176	4.8
211.14734	12.0
213.12740	9.0
217.10173	3.3
219.11737	7.9
220.12399	3.9
221.13249	16.7
222.13963	5.8
223.14862	15.6
224.15442	3.4
225.12733	6.0
225.16370	5.4
229.15752	2.4
232.12303	3.9
233.13220	6.5
234.14009	6.4
235.14772	11.3
236.15637	3.1
237.16257	9.9
238.17032	3.5
239.14209	5.9
239.17935	6.1
241.15819	4.1
243.11693	3.2
245.13268	4.0
246.14006	2.4
247.14835	6.3
248.15680	2.5
249.16379	8.9
250.17073	3.6
251.17987	11.1
253.15878	3.5
255.17418	4.3
256.18201	2.8
259.14572	2.3
260.15335	2.6
261.16147	2.6
262.17148	2.9
263.14813	2.3
263.17825	11.1
264.18542	3.9
265.15817	4.8
265.19382	6.4
267.17456	7.9
269.18985	6.0
273.16406	4.1
281.18979	4.6
289.19431	5.3
291.17410	9.2
305.19080	5.2
306.25015	3.5
309.18414	5.0
319.24249	4.1
329.22418	3.5
347.23648	29.8
365.10641	2.5
365.24698	100.0
365.31912	5.0
366.24829	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2682
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01880	0.3
55.05501	2.0
55.45842	0.3
57.07069	10.5
67.05502	3.5
68.05828	0.4
69.07071	2.3
69.15065	2.3
78.87454	0.3
79.05485	2.8
81.07053	4.4
83.04942	0.7
83.08627	0.9
85.06532	6.3
91.05460	1.9
93.07031	3.2
94.07349	0.3
95.04965	1.7
95.08595	4.2
97.06503	0.6
97.10176	0.4
105.07014	1.8
107.08570	2.5
109.06501	3.8
109.10143	1.7
111.08072	0.5
113.00004	0.3
117.07038	0.6
119.08566	2.2
121.06468	0.4
121.10136	1.4
123.08051	4.0
123.11650	0.4
124.08830	1.7
127.01562	0.4
129.06934	0.4
131.08568	1.2
133.10114	1.4
135.08064	2.7
135.11676	1.0
137.05984	0.4
137.09598	0.5
139.07599	0.4
143.08554	0.9
145.10141	1.5
147.08081	0.6
147.11668	0.9
149.09566	0.7
151.07521	3.5
151.11191	0.4
152.08304	5.4
155.08499	0.5
156.09338	0.5
157.10132	1.8
159.11661	1.5
161.09654	0.8
165.09097	8.6
169.10115	0.6
170.10875	0.5
171.11668	0.7
173.13301	0.5
175.11244	0.4
177.12720	0.5
179.10640	1.7
181.10275	0.4
181.12138	0.4
183.11684	0.6
185.13269	1.4
187.11122	0.5
187.14784	0.7
189.12643	0.5
193.10127	0.4
194.12985	3.3
195.11786	0.6
195.13799	0.6
206.10934	0.3
207.12050	0.4
207.13667	1.6
211.14764	0.4
221.13374	0.5
221.15364	0.5
223.14882	0.6
235.16901	0.5
237.16338	0.4
249.16258	0.4
249.18620	0.7
263.20044	7.2
264.20505	0.5
281.21289	0.4
291.19775	0.4
306.25131	1.2
307.26346	1.3
319.26282	1.2
344.32379	0.3
347.25827	20.6
348.26099	1.2
365.26862	100.0
366.27173	7.4
366.33676	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05510	2.8
57.07074	27.6
58.13006	0.4
60.07218	0.5
67.05504	5.5
67.10151	0.5
69.07065	3.7
69.57642	2.7
71.05007	0.6
71.08612	0.9
77.30623	0.5
79.05479	2.9
81.07056	5.0
83.08614	1.5
85.06539	17.6
86.06860	0.7
91.05451	2.5
93.07037	4.0
95.04945	0.7
95.08597	4.5
97.06539	1.4
98.23408	0.7
105.07018	2.3
105.28514	0.6
107.08601	4.6
109.06516	6.6
109.10131	2.2
111.04408	0.7
111.08083	1.8
119.08561	2.5
121.10141	1.7
123.08066	6.4
124.08872	0.8
131.08559	1.1
133.10136	1.5
135.08052	6.2
135.11719	1.1
137.05997	0.9
137.25581	0.6
139.07581	0.8
145.10092	1.1
147.11731	1.3
149.09563	0.8
151.07556	3.7
151.11255	0.6
152.08325	3.3
159.11722	0.7
163.07478	0.6
165.09108	9.6
166.09854	1.2
171.79745	0.5
175.11191	1.0
177.12708	1.0
179.10695	1.7
179.14343	0.7
191.14407	0.7
193.12288	1.2
195.13869	1.3
196.42969	0.6
208.14600	1.5
221.15392	1.7
229.49922	0.6
263.20050	15.9
264.20383	0.8
279.19553	1.6
291.19550	1.3
305.24933	2.8
306.25006	2.1
307.26151	0.7
319.26389	4.3
337.27548	1.0
347.25797	57.5
348.26065	3.9
365.26855	100.0
366.27151	7.0
366.32175	0.7
366.33231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43245	0.3
50.70249	0.3
55.05504	0.5
56.87934	0.3
57.07073	1.9
67.05505	0.7
69.07055	0.6
69.23990	0.6
69.24389	1.2
71.08643	0.7
79.05461	0.4
81.07050	1.0
88.24307	0.3
89.06022	0.9
91.05476	4.0
93.07030	1.0
95.08600	0.6
105.06998	0.6
107.08607	0.8
109.06512	1.1
109.10158	0.5
112.96409	0.4
119.08576	0.3
121.10130	0.5
123.08060	3.0
124.08836	1.7
133.08539	0.3
135.08942	0.3
137.05991	0.5
143.97942	0.4
151.07524	3.8
151.11195	0.5
152.08307	6.5
165.09099	8.9
165.12718	0.6
166.09892	0.5
168.29077	0.3
179.10580	1.8
179.14342	0.4
181.12315	0.8
194.13014	4.1
197.12531	0.4
207.13820	1.8
209.69894	0.4
221.15363	0.5
228.77959	0.3
249.18567	0.9
263.20093	1.5
275.60730	0.3
277.21564	0.5
302.63037	0.4
319.26349	1.0
337.88461	0.4
347.25781	15.3
348.26096	1.4
365.26834	100.0
366.27249	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	365.2686
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.91687	0.3
55.05489	0.8
55.64293	0.3
57.07067	2.3
67.05501	0.6
69.07047	0.8
69.52834	1.4
71.08628	0.8
72.08965	0.5
79.05465	0.5
81.07040	1.3
83.59302	0.4
85.10125	0.4
87.31540	0.3
89.06028	1.6
91.05469	2.9
93.07030	0.4
95.08596	0.8
98.23465	0.7
105.07016	0.5
107.08597	0.9
109.06506	1.1
109.10126	0.6
119.08508	0.4
121.10147	0.5
123.08064	3.1
124.08832	1.5
133.08589	0.4
133.10168	0.4
137.05963	0.6
137.09601	0.5
139.07506	0.6
145.10028	0.4
151.07532	3.5
151.09627	0.3
152.07185	0.5
152.08311	5.2
159.43701	0.3
165.07730	0.4
165.09100	8.0
166.09724	0.7
177.09039	0.6
179.10669	1.9
181.12309	0.6
194.12973	3.7
207.13846	1.4
235.16861	0.8
249.18439	0.5
263.20062	1.5
319.26297	1.2
347.25781	17.0
348.26126	1.3
365.26825	100.0
366.27246	7.5
371.65546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96288	2.0
56.96559	33.5
65.77464	1.1
66.67701	1.4
67.78432	1.2
71.43001	1.6
84.08145	2.5
84.96021	11.2
86.09706	1.4
95.18473	1.3
98.97573	92.5
103.88628	1.3
110.07150	3.6
110.97556	72.8
112.99130	6.0
116.98614	57.4
128.98595	100.0
129.10216	3.7
129.98915	1.5
131.00128	5.8
134.99648	22.3
136.06161	6.1
140.00238	1.8
140.98543	1.7
144.98091	3.5
146.99635	54.5
149.01218	4.7
152.00186	1.4
153.00688	2.3
158.99629	2.8
162.99219	1.3
165.00700	5.9
170.99625	6.9
171.68158	1.2
174.00938	4.6
182.99702	1.5
189.00706	18.5
192.01903	66.4
201.00671	5.7
207.01720	4.1
210.02971	51.0
210.04976	2.9
219.01740	1.5
220.01379	4.7
220.18065	1.1
228.04027	4.5
232.43224	1.2
234.02916	29.3
238.02460	4.6
246.00427	2.6
246.02963	44.1
248.04468	5.0
249.02765	3.7
252.03981	17.9
252.06255	1.9
264.04047	18.3
266.05682	2.0
282.05255	1.2
306.05164	2.9
324.06119	34.5
342.07162	39.5
343.07138	1.6
366.07153	65.2
367.07352	1.8
384.08240	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	366.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03434	0.7
58.44227	0.5
62.58113	0.4
66.70768	0.4
69.03414	0.9
70.06584	3.3
71.39831	0.5
72.08139	0.5
74.06094	0.5
77.29772	0.5
84.08144	1.6
85.64069	0.4
86.09733	0.5
94.06551	0.8
98.97567	1.0
101.00916	0.5
110.03493	0.7
110.07160	1.2
116.01654	0.4
116.98624	0.9
119.01926	1.6
124.03963	0.5
126.73063	0.5
128.04532	1.0
143.02979	0.7
149.03096	0.7
167.04111	3.7
175.03444	1.2
185.05185	1.0
187.39516	0.5
192.03648	13.3
193.03781	0.6
207.02359	2.0
209.05183	0.5
210.04712	79.1
211.03021	0.8
211.04817	4.5
225.03438	4.9
228.05792	13.0
229.06032	0.6
234.04703	65.8
235.03015	1.4
235.05090	2.3
236.02670	0.5
238.10690	0.6
246.04811	0.5
252.05763	100.0
252.73195	0.5
253.06113	6.9
261.03015	0.9
270.06821	6.5
274.99167	0.7
275.04733	0.5
275.07370	1.6
302.01114	0.7
324.11591	0.7
366.08896	0.9
384.10263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0968
Annotation	6-Methylpretetramide
Peak:m/z	Relative Intensity
53.00305	2.0
58.30152	0.9
75.30727	0.9
91.05477	2.9
98.22733	3.1
103.05476	1.4
105.03407	2.9
107.01342	2.4
113.45406	0.8
121.06507	12.5
131.04918	2.9
147.04303	0.9
151.03900	1.3
165.06999	2.8
176.06221	5.0
177.06981	12.5
178.07764	1.1
189.06992	22.1
192.02972	2.6
195.07994	1.2
202.01398	3.5
205.06471	40.0
206.07043	1.9
207.04482	1.1
217.06454	2.2
218.07231	2.3
220.02376	10.1
221.00804	1.8
221.05974	1.4
233.05971	26.1
233.08167	1.4
233.09589	1.2
234.03876	2.3
234.06233	1.4
238.03558	4.2
239.01877	1.2
244.02211	3.6
245.06003	4.7
247.99071	0.9
251.07014	5.9
261.05463	39.8
262.03250	6.3
262.06226	14.1
263.06946	1.9
265.04947	1.3
277.08636	8.0
278.08322	1.3
279.06506	27.1
280.06891	1.3
289.04944	32.6
289.67816	0.9
290.05228	2.1
293.04559	2.2
306.07471	2.0
307.05994	100.0
308.06210	5.6
317.04456	9.8
321.07559	40.0
322.07861	2.4
324.08746	1.2
334.07047	7.2
335.05307	5.4
338.10104	6.3
347.18677	1.5
349.07062	58.2
350.07361	3.2
352.08063	2.8
366.09521	19.6
367.08044	1.3
387.75806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1336
Annotation	Corynoloxine
Peak:m/z	Relative Intensity
53.03937	0.8
55.87940	0.4
60.93052	0.7
63.06875	0.5
64.13322	0.4
77.03928	1.7
87.60757	0.4
90.94807	1.0
91.05475	6.4
92.05795	0.6
92.22086	0.6
93.07014	1.4
95.04964	2.0
103.05466	28.0
104.05794	0.6
105.03390	2.0
105.04526	1.3
107.01332	1.4
121.06500	97.0
122.06834	2.1
126.67014	0.5
129.03366	1.4
129.06508	0.5
130.02904	1.4
130.06465	0.6
131.04921	70.0
132.05269	2.3
136.64510	0.5
146.06020	0.7
156.04433	2.5
157.02855	1.4
158.05870	0.7
167.03400	2.0
168.03738	1.4
174.01866	0.7
175.03944	0.5
175.43056	0.5
176.03442	0.7
179.08624	0.5
184.03934	3.8
185.02344	3.3
185.04727	0.7
186.05551	1.4
202.04944	3.1
203.03380	8.3
204.06590	0.9
206.99005	0.6
212.03429	4.3
215.08588	1.0
218.08147	1.3
220.02426	2.0
221.00610	0.8
224.99988	0.9
228.75752	0.7
228.94304	0.8
230.04472	28.9
231.04752	0.8
235.05986	0.7
236.09081	0.6
241.08453	0.5
242.09630	0.7
244.06099	2.2
248.05531	56.1
249.00194	0.6
249.05846	1.7
258.08447	0.7
259.09882	0.6
260.10666	0.6
262.07095	12.2
263.01846	1.2
263.07266	0.7
268.98987	2.1
285.07559	1.6
286.07928	8.1
286.99881	0.8
287.08176	0.6
288.05847	0.6
288.08759	2.2
289.08679	1.3
296.98364	4.4
297.88593	0.5
314.99429	5.8
316.09631	6.3
324.12390	3.9
334.10825	1.6
342.98904	13.3
343.99384	1.3
348.12332	1.8
356.96954	1.7
360.99942	6.8
362.00046	0.7
366.00467	3.0
366.13348	100.0
367.13681	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	366.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78011	0.3
61.20499	0.4
61.86348	0.3
68.99803	0.3
69.89175	1.1
71.04992	5.2
79.05445	0.9
87.47601	0.3
91.05424	0.4
95.04907	0.4
98.22762	0.4
103.05416	1.4
104.04955	0.5
105.03389	4.8
106.06546	5.7
107.04910	1.2
108.04439	0.4
116.04955	1.6
117.03348	0.5
118.06491	1.3
120.04427	0.5
131.04930	3.1
132.04431	2.0
133.02859	3.3
134.06000	19.5
135.04346	1.1
135.06285	0.7
136.05025	0.3
143.50450	0.4
144.04425	3.5
145.02762	0.6
146.05977	1.2
149.02257	1.2
156.04427	0.3
160.02841	0.4
160.03920	3.9
162.05486	28.1
163.05809	0.9
164.04555	0.3
166.08636	1.5
167.52432	0.4
173.02234	0.6
174.05507	2.3
175.03854	0.5
178.05008	1.6
180.06377	0.3
185.02242	0.8
188.03372	0.6
192.04041	5.5
193.04906	1.2
193.84328	0.4
200.03351	0.6
200.20091	0.6
201.01787	2.8
201.04065	0.7
202.04970	3.9
204.06493	0.6
212.03401	7.0
213.01859	0.7
213.03741	0.5
218.02242	0.3
219.02866	10.3
220.03160	0.4
220.06046	1.0
228.02892	4.4
229.03799	0.6
230.04456	100.0
231.02744	0.7
231.04787	4.2
244.07166	1.5
246.03943	1.1
248.05530	24.4
249.05818	0.7
262.08243	2.4
280.08173	0.8
280.85199	0.3
292.09598	0.3
296.10287	2.7
334.10696	93.1
335.10986	7.0
348.13568	0.8
352.11591	1.7
366.14197	16.3
366.22202	0.6
367.14252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36101	0.2
59.52606	0.2
69.10182	0.3
69.10593	1.1
71.04978	0.8
78.03440	0.2
79.05495	0.4
79.53506	0.2
89.73111	0.2
91.05466	0.6
92.05048	0.2
94.06556	0.5
96.08115	0.6
103.05449	0.4
106.06549	2.1
107.01306	1.1
117.05775	0.3
118.06564	0.3
129.05431	0.2
131.04941	0.8
134.05972	1.1
146.06006	2.1
149.75677	0.2
152.03383	0.7
153.01857	0.2
162.05486	31.8
163.05861	1.1
167.84798	0.2
180.58679	0.2
181.01358	0.6
192.04018	0.9
194.07947	0.3
202.04994	1.3
212.97292	0.2
220.05992	1.5
221.00812	0.3
222.56616	0.2
230.04454	100.0
230.99359	0.3
231.04816	3.7
244.07037	0.3
248.05475	0.5
249.00192	1.7
262.07028	4.0
263.01865	1.2
287.05536	0.2
296.10318	0.2
296.98410	0.4
314.99521	0.6
334.10696	24.8
335.10999	2.1
342.98865	1.2
348.13440	0.4
360.99988	0.6
366.13364	25.7
367.13800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.5
55.01849	2.8
55.05499	4.3
57.03442	9.8
67.05488	3.4
69.03064	3.7
69.03423	56.2
69.03797	3.0
69.57996	2.1
69.58335	7.2
71.01349	2.4
71.04987	10.4
79.05499	2.0
81.03402	31.8
81.07019	2.7
83.01317	3.6
85.02896	54.5
86.09698	4.4
87.00819	35.2
87.04473	3.0
87.56145	1.7
90.57184	1.9
93.07047	2.5
95.08562	2.9
95.36761	1.8
97.02883	78.1
99.04433	29.8
101.02412	2.5
105.01865	25.1
109.02866	10.2
115.03951	2.4
120.08122	3.7
123.08038	5.2
127.03902	100.0
128.04247	2.3
135.04355	2.0
135.08107	2.0
136.06157	2.2
145.04936	61.1
147.04428	2.7
152.10690	2.1
156.21819	1.7
171.02815	2.9
173.12878	3.3
208.18349	1.7
209.11458	2.0
218.03391	1.8
219.06506	3.3
231.04959	51.6
232.05339	2.1
237.07700	2.0
247.05968	8.6
249.06006	15.7
265.07022	6.8
366.19992	8.3
367.11716	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.01869	9.7
55.05505	3.4
57.03433	8.8
60.46593	1.0
61.02915	7.1
66.97860	1.1
68.99789	1.9
69.03059	2.5
69.03427	35.9
70.60561	1.7
71.04975	5.9
73.02919	6.3
81.03416	25.1
83.08603	1.4
85.02898	100.0
87.00826	48.1
91.03947	1.2
97.02882	32.4
99.04445	14.3
105.01150	2.8
105.01859	60.0
108.04443	2.6
109.02866	25.5
109.03542	1.8
111.08063	1.3
117.01828	3.5
127.03905	66.1
129.01852	3.6
141.09081	2.0
145.04938	29.0
147.02879	1.8
159.02859	12.8
177.03937	1.8
189.03987	2.2
209.11853	3.1
213.03954	2.5
230.35197	1.2
231.04984	15.3
249.06001	2.7
272.65939	1.2
295.11719	3.5
298.17297	1.2
327.13379	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	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
54.03016	1.4
55.01863	5.3
55.05503	22.2
57.03431	6.1
61.02921	6.1
66.98398	1.3
67.05499	1.9
68.99798	2.5
69.03420	37.7
69.43510	7.1
69.80108	1.2
71.04995	4.5
73.02921	4.6
81.03408	25.1
81.07064	1.8
83.01377	1.7
83.08604	16.4
85.02896	100.0
87.00820	48.5
88.01150	1.5
97.02882	39.4
99.04451	11.6
105.01857	83.0
108.04474	4.4
109.02863	25.4
109.51027	1.5
117.01831	1.7
123.08052	2.3
127.03901	68.7
128.04228	2.4
129.01840	4.6
145.04944	47.9
147.02838	2.7
150.77975	1.5
159.02885	13.1
177.03819	1.7
179.75371	1.6
189.03964	2.7
191.10600	2.3
209.11542	2.1
213.03983	3.1
231.04982	19.3
249.06018	6.8
266.01682	1.6
304.35123	1.4
313.13168	1.7
374.46957	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.5
55.01849	2.8
55.05499	4.3
57.03442	9.8
67.05488	3.4
69.03064	3.7
69.03423	56.2
69.03797	3.0
69.57996	2.1
69.58335	7.2
71.01349	2.4
71.04987	10.4
79.05499	2.0
81.03402	31.8
81.07019	2.7
83.01317	3.6
85.02896	54.5
86.09698	4.4
87.00819	35.2
87.04473	3.0
87.56145	1.7
90.57184	1.9
93.07047	2.5
95.08562	2.9
95.36761	1.8
97.02883	78.1
99.04433	29.8
101.02412	2.5
105.01865	25.1
109.02866	10.2
115.03951	2.4
120.08122	3.7
123.08038	5.2
127.03902	100.0
128.04247	2.3
135.04355	2.0
135.08107	2.0
136.06157	2.2
145.04936	61.1
147.04428	2.7
152.10690	2.1
156.21819	1.7
171.02815	2.9
173.12878	3.3
208.18349	1.7
209.11458	2.0
218.03391	1.8
219.06506	3.3
231.04959	51.6
232.05339	2.1
237.07700	2.0
247.05968	8.6
249.06006	15.7
265.07022	6.8
366.19992	8.3
367.11716	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01870	6.5
55.05491	3.0
56.99615	1.6
57.03431	7.4
58.76832	1.7
61.02916	5.2
67.05497	5.8
68.99788	5.5
69.03429	38.2
69.63445	3.0
69.63851	5.2
71.04987	4.8
73.02921	9.8
78.99514	1.8
79.05485	7.3
81.03410	20.5
81.07043	5.3
83.05010	1.6
83.08606	1.8
85.02901	100.0
86.09718	3.6
87.00825	53.7
89.06011	5.6
91.05488	5.3
93.07051	3.1
95.04971	3.0
95.08614	13.3
97.02887	32.2
98.22689	1.8
99.04446	7.1
105.01863	87.9
105.07048	7.7
107.04942	5.8
108.05777	2.0
109.02871	27.9
109.06499	5.3
113.00019	7.5
119.04969	5.3
121.06494	4.4
123.08066	36.2
127.01559	40.6
127.03910	71.0
129.01811	2.1
133.06488	8.9
135.04422	7.9
136.05060	1.7
136.06213	1.8
137.05994	2.8
139.01546	22.1
145.04965	30.3
145.06151	2.6
145.06546	1.6
147.02919	2.1
147.04385	12.7
149.05991	2.2
151.07529	8.3
153.03110	42.7
159.02916	10.3
163.07472	1.8
169.01335	2.1
173.12904	2.4
177.05418	3.4
179.07048	7.4
183.04170	5.2
184.94733	1.6
189.03908	3.1
190.02625	3.0
191.07025	4.7
197.05721	9.9
201.05539	2.8
203.03403	3.4
205.04976	2.3
208.03683	2.6
213.03915	4.2
218.05748	6.0
219.06577	8.2
221.04442	2.1
223.05878	3.6
227.46907	1.9
229.05005	1.9
231.04991	24.2
237.07578	14.7
247.03978	1.2
247.05995	60.2
249.06021	8.9
265.07056	60.8
265.09912	3.0
273.07617	4.0
286.04709	10.5
287.05496	18.2
295.16165	4.0
325.10648	4.4
366.19907	14.4
366.23810	3.5
367.01126	2.7
367.11853	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.5
55.01873	3.3
55.25538	2.4
56.85297	2.2
57.03436	7.2
59.05015	2.3
60.33374	2.1
61.02927	8.1
64.00055	2.6
67.05502	5.0
69.03427	47.2
71.05006	4.7
71.08632	30.1
73.02917	6.0
79.05518	2.4
81.03420	49.4
81.07057	6.3
83.08651	2.6
85.02400	5.0
85.02898	72.2
91.05492	3.8
93.07037	4.8
95.08594	3.1
97.02881	25.8
99.04452	13.9
99.08086	43.9
105.07024	3.5
109.02874	60.9
109.03649	3.0
109.10161	4.5
127.03909	67.0
127.11189	35.4
128.66971	2.2
133.05026	2.5
133.06456	2.8
141.12727	2.9
145.04968	21.5
145.06027	3.5
145.12225	100.0
149.02333	6.3
151.03882	4.5
151.07576	4.2
169.04970	9.4
181.37404	2.2
187.06023	47.1
205.07063	50.0
225.79376	2.4
246.07579	2.2
247.05945	2.8
265.07065	6.1
280.09564	2.5
286.04620	3.3
287.05496	9.6
361.02307	8.8
366.09885	2.4
366.19669	30.4
367.11694	5.1
367.20978	10.8
379.03278	3.2
389.66440	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	366.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.6
55.01851	1.9
55.05510	29.3
57.03409	0.8
57.07072	5.7
60.08163	4.7
65.03938	3.9
67.05502	82.3
68.05819	1.2
69.03422	1.0
69.07064	40.3
69.07436	1.9
69.08189	5.4
69.08533	0.6
71.04959	2.3
71.08596	2.7
73.02891	3.0
79.05492	18.1
81.07053	75.6
82.07376	1.7
83.04958	2.6
83.08611	14.3
85.06548	1.7
86.09716	0.9
87.04430	1.6
89.39879	0.6
91.05476	10.5
93.07038	18.2
95.04967	5.2
95.08601	59.1
95.18481	0.7
96.08907	1.3
97.02888	1.6
97.06505	3.3
97.10174	4.4
98.98421	1.1
99.04440	4.8
99.08067	2.2
101.05969	0.9
105.04510	1.1
105.07010	9.9
107.08585	12.3
109.06501	4.1
109.09412	1.4
109.10149	22.8
111.04449	5.0
111.08051	1.1
111.11691	0.8
117.06996	2.7
119.08580	9.8
121.06510	1.6
121.10127	9.5
123.08073	4.5
123.11680	7.4
125.09595	0.7
127.01535	0.7
127.07526	1.0
128.06146	0.7
129.06985	1.2
129.25810	0.6
131.08572	6.1
133.10126	7.4
135.08017	1.8
135.11700	4.4
137.09581	1.0
137.13260	3.3
143.08537	3.1
145.10101	12.0
147.11667	5.3
149.09584	1.7
149.13188	3.5
151.14821	1.3
153.12665	0.8
156.09238	0.7
157.10106	2.7
159.11700	9.1
161.09538	0.8
161.13249	2.2
163.11139	0.8
163.14864	1.4
165.16360	0.9
171.11685	1.9
173.13232	4.8
175.14777	1.3
177.16412	0.8
179.14323	3.9
183.11563	1.1
185.13242	1.3
187.14786	3.1
189.16376	1.6
191.14278	0.9
197.13193	1.6
199.14767	1.7
201.16374	9.5
213.16345	0.9
223.16884	0.9
239.17924	0.8
251.20100	0.9
259.16714	0.9
293.21103	1.0
303.26563	1.5
307.26297	100.0
308.26608	5.9
331.26306	6.5
349.27399	11.4
366.33649	94.2
367.15195	3.0
367.26373	7.7
367.33871	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	367.012
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
51.60824	0.2
55.01870	0.3
62.06989	0.3
63.96640	0.2
65.03927	0.2
66.55122	0.2
68.99788	2.0
69.03432	1.9
69.75471	0.2
71.01351	0.3
71.40405	0.2
79.05507	0.3
84.02120	0.6
85.02911	0.4
86.54594	0.2
91.05482	8.8
91.06060	0.4
95.01340	0.3
95.04977	0.3
96.90200	0.2
99.00835	0.4
100.07607	0.3
103.05482	0.3
107.01321	0.8
107.04937	0.5
107.90302	0.2
111.04419	0.2
112.01573	1.0
114.05479	0.3
119.04949	3.5
121.02867	2.5
123.00777	1.0
126.01071	1.7
127.00298	0.6
131.04938	0.9
135.04367	0.2
139.71733	0.3
140.01042	1.8
141.06975	0.3
147.04379	0.4
151.03929	0.5
153.01779	1.1
154.99829	0.2
161.03545	0.3
161.06007	0.2
163.03908	2.4
163.07597	0.3
168.00551	4.7
169.01324	33.6
170.01695	0.9
177.05443	0.2
178.15237	0.2
186.01590	3.4
192.30574	0.2
195.81190	0.2
202.01433	0.3
202.99846	0.3
205.08604	9.8
206.08994	0.3
221.00879	0.6
230.05597	0.5
231.06128	0.2
241.04880	0.2
245.04414	0.5
258.05258	1.8
259.06012	5.3
260.06290	0.3
268.03653	0.7
269.04285	0.3
285.03900	1.4
286.04706	18.4
287.05487	100.0
288.05814	4.2
330.17508	0.3
348.18921	0.8
366.19876	1.2
367.01181	19.2
368.01590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.012
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
55.05485	0.2
63.15832	0.2
65.03918	0.4
67.52461	0.2
68.99760	0.9
70.99094	0.3
71.01308	0.3
72.91294	0.2
85.50332	0.2
91.05489	1.3
95.01288	0.6
99.17641	0.2
100.11241	0.6
112.01568	0.6
119.04192	0.3
119.04945	4.8
120.05649	0.8
121.02866	2.2
123.00784	1.3
126.09152	0.3
127.00211	0.4
128.06171	0.3
131.04942	0.3
139.00198	0.3
140.00987	0.9
140.10684	0.4
145.02818	0.4
147.04333	0.8
151.00296	0.4
153.65472	0.3
156.05717	0.4
157.06477	0.5
160.05219	1.5
167.04895	0.5
168.00516	3.4
168.10201	0.3
169.01323	4.8
171.04422	0.6
182.15445	0.4
184.05159	1.0
185.05951	0.3
186.01552	1.3
187.02364	0.3
187.03906	0.4
189.05388	0.4
195.04405	4.3
213.05469	0.7
229.04895	0.6
234.05203	0.5
240.04178	1.0
241.04916	1.0
245.04372	0.5
257.04526	1.4
258.05206	0.8
268.03540	0.6
269.04361	0.3
285.03897	1.9
286.04700	56.7
287.05472	100.0
288.05801	5.2
339.67392	0.3
366.27475	0.6
367.01181	14.2
367.20908	2.4
368.01633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0118
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
68.99776	0.7
69.47723	0.7
69.48121	0.7
71.01325	0.3
72.08128	0.4
74.77588	0.3
91.05476	8.9
92.90352	0.3
95.01301	0.5
99.00808	0.5
100.07597	0.3
107.01240	0.4
109.06517	0.3
112.01545	0.9
119.04175	0.3
119.04948	3.5
121.02840	0.8
122.05815	0.3
123.00786	1.3
140.01025	2.2
147.04311	0.4
168.00534	5.8
169.01320	35.4
170.01564	0.7
186.01582	2.8
221.00839	0.4
236.17332	0.8
245.04387	0.5
254.49400	0.3
258.05228	1.6
259.06021	5.5
268.03687	0.7
269.04349	0.8
278.18481	0.5
285.03998	1.7
286.04715	20.1
287.05478	100.0
288.05820	5.6
325.43088	0.3
366.23615	3.4
367.01166	19.0
367.13708	0.6
367.23712	1.0
368.01410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0118
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
50.32220	0.4
53.58039	0.3
55.01871	2.3
55.05487	0.6
57.03396	0.4
57.46264	0.3
59.04993	3.6
65.03919	0.4
67.05483	0.4
68.99768	1.3
69.03405	0.9
79.05479	1.0
81.03376	0.5
81.07019	1.0
85.02905	1.8
87.04456	2.8
89.06011	0.6
91.05470	2.5
93.07034	0.6
95.01264	0.4
95.04943	0.8
97.02849	1.7
97.03407	0.4
97.06499	1.5
103.05412	0.5
103.07553	0.8
105.03353	0.6
105.05515	2.0
105.07018	0.7
107.04921	1.2
107.81624	0.3
109.02847	0.8
112.01553	0.5
115.05398	0.6
117.07000	0.5
119.04936	5.3
119.08486	0.4
120.05648	1.2
121.02860	4.0
121.06426	0.5
121.10125	0.5
121.54749	0.4
123.00733	0.9
123.08031	0.8
127.01533	1.3
127.03863	1.9
131.04884	1.6
131.08508	0.4
133.02779	0.5
133.10057	0.5
136.06133	0.7
140.00999	1.1
145.02786	1.3
145.04947	1.4
145.06320	0.4
147.04398	3.0
149.02344	0.6
149.09616	0.6
153.03062	1.2
157.06429	1.0
160.05148	1.4
165.06984	2.5
167.04837	0.7
168.00526	2.5
169.01297	4.5
171.04445	0.5
173.06000	0.5
177.05440	0.4
177.06932	0.5
178.07727	3.3
179.08488	1.3
181.06447	0.7
184.05183	1.0
185.05885	0.4
186.01561	1.8
186.80937	0.4
189.05443	0.7
189.06950	4.1
190.07736	3.1
191.06955	0.5
191.08519	3.2
193.06450	1.2
194.07193	0.7
195.04407	4.2
195.07970	0.7
197.05769	0.6
199.02376	0.4
201.06990	0.6
202.07771	3.3
203.08487	1.5
205.04933	0.4
205.06508	2.9
206.07179	2.3
207.07999	4.2
208.08862	2.0
213.05391	0.8
215.08568	0.8
217.06483	1.1
218.07233	12.9
219.08023	5.8
220.08760	2.4
221.05949	5.0
221.09557	1.2
222.06728	1.0
229.04904	0.4
230.07253	0.5
231.08113	3.1
232.08742	1.0
233.05917	0.8
233.09576	1.4
234.06862	4.8
235.07504	6.4
236.08284	5.0
237.09027	1.2
240.04131	0.9
241.04947	0.6
245.05998	0.8
246.06757	6.3
247.07599	4.6
248.08307	4.1
249.05426	2.5
249.09235	2.1
250.06177	0.8
250.09792	1.0
251.06961	0.5
251.10728	0.9
252.07719	0.5
253.08554	0.5
257.04501	1.2
258.04996	0.8
259.07748	0.7
261.05765	0.6
261.09061	12.1
262.06183	1.3
262.09402	0.7
263.07019	4.0
264.07785	9.5
265.08893	2.0
269.04422	0.7
271.06122	1.0
274.06201	2.0
275.07001	1.5
276.07809	1.8
277.05228	0.8
277.08569	4.3
278.09296	5.5
279.06824	0.6
279.10083	2.8
281.08200	0.5
285.03961	1.3
286.04684	56.9
287.05457	100.0
288.05734	5.6
289.08524	9.7
290.08929	0.5
291.06500	1.4
292.07251	7.7
293.08023	4.5
293.11224	0.7
295.09518	0.7
299.05490	1.0
300.02533	0.6
304.06921	0.4
305.08136	2.3
306.08801	1.6
307.06137	1.0
307.09567	12.4
308.10336	2.7
309.07559	0.8
317.08072	6.8
320.06699	1.5
321.07684	0.8
323.09140	0.6
335.09088	90.6
336.09631	5.7
339.08707	0.6
339.12476	0.7
349.04620	0.7
367.01187	18.3
367.11700	19.1
367.20886	28.0
368.01630	1.1
368.11963	0.5
368.20984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
64.56984	0.2
68.99779	0.6
69.81977	0.5
69.82365	0.5
81.69346	0.2
84.02104	0.6
85.02913	0.3
91.05478	8.9
93.22725	0.2
95.01295	0.3
99.00826	0.5
112.01568	1.1
113.02368	0.3
119.04934	3.0
121.02877	1.2
123.00793	0.7
127.00269	0.4
136.06248	0.2
140.01051	1.8
147.04378	0.3
168.00534	4.9
169.01312	34.0
170.01605	0.7
186.01572	2.7
205.06200	0.4
245.04427	0.6
258.05280	1.6
259.05997	4.4
259.08527	0.3
268.03693	0.6
269.04510	0.7
285.03870	1.4
286.02209	0.2
286.04691	17.5
287.05469	100.0
288.05832	4.5
312.22842	0.2
349.09283	0.2
366.23706	0.7
367.01178	19.8
367.09772	2.2
367.23804	0.3
368.01544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0121
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
54.07302	0.4
55.01838	0.4
56.02632	0.4
56.04985	0.6
62.70053	0.4
68.99776	1.4
70.57547	0.4
77.27907	0.4
78.89790	0.5
84.02086	1.2
84.08141	0.8
91.05473	4.1
98.23441	0.8
99.00782	1.4
107.01295	0.5
110.06016	0.6
112.01568	2.4
119.04955	3.6
121.02847	2.9
123.00754	1.7
127.00247	1.5
131.01239	1.6
131.04898	1.2
140.01038	4.5
147.00764	2.8
147.04282	0.4
149.02313	0.7
151.00209	0.8
161.03510	0.7
165.01816	1.7
168.00539	20.7
169.01321	17.1
170.01602	0.4
186.01602	9.0
187.00266	4.6
187.03827	0.5
202.01172	0.5
204.02948	2.7
205.01337	8.0
214.99751	2.8
221.00668	0.7
222.04076	0.4
230.04474	0.4
232.02434	4.6
232.06033	0.6
237.78175	0.4
247.02344	1.1
247.30310	0.5
257.04419	1.7
258.05099	1.2
259.05743	0.7
263.01825	0.7
264.99820	0.4
267.02902	0.6
269.04468	1.0
270.05191	1.7
272.05716	0.7
285.03934	1.5
285.07520	2.6
286.04697	100.0
287.05460	81.8
287.12039	0.6
288.05792	3.5
291.06567	3.8
308.09143	3.2
336.08667	1.1
349.08191	0.5
350.10236	0.4
367.01184	26.9
368.01569	0.9
368.11414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95694	8.9
56.96582	15.3
61.68903	7.6
71.37375	11.2
71.50276	7.9
73.98978	7.3
73.99641	7.8
84.96039	37.2
98.97588	21.6
116.98606	15.4
119.04887	7.5
122.47109	7.5
126.97076	23.8
134.99556	8.4
144.08028	10.3
144.98091	82.3
146.06076	14.4
158.99709	15.8
162.99152	100.0
181.00137	13.0
186.99197	18.9
187.03912	9.2
190.98671	12.3
194.92929	8.1
205.00165	19.7
205.06113	19.0
229.09692	11.0
241.72617	9.0
252.15907	22.0
286.04678	13.0
287.05524	32.8
297.02805	26.8
325.02255	10.2
339.64285	8.1
349.07919	9.2
367.10159	22.4
378.07068	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	367.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.2
51.55950	0.4
53.00295	0.7
56.57058	0.4
56.96551	0.8
57.56402	0.4
69.54317	1.8
70.06579	0.7
79.01847	8.0
88.56455	0.4
91.05477	2.8
95.04945	0.5
98.97565	0.8
103.01817	1.2
103.05463	2.8
105.03378	1.3
105.04505	1.4
106.23396	0.4
107.01313	59.5
108.01599	0.7
116.98608	0.6
121.06499	10.1
131.01254	2.5
131.04900	4.7
134.99724	0.7
135.00748	4.7
149.02354	3.2
153.01819	5.8
161.02295	0.5
161.03474	2.7
163.00273	7.2
165.06993	1.4
167.03424	0.7
167.08580	0.7
169.01344	0.5
176.06142	0.7
177.01904	0.6
177.06985	1.7
178.07764	2.2
179.08549	2.9
181.01308	42.8
182.01625	1.0
183.08118	0.6
189.06984	1.5
191.03369	2.8
193.01447	0.8
195.02911	0.6
195.08014	0.9
202.99767	1.3
205.01360	0.6
205.06454	4.1
207.08049	3.5
209.05887	0.6
212.97041	1.4
219.02843	1.0
221.00810	11.6
222.01237	0.7
223.07423	1.0
230.99251	26.5
231.04022	1.8
231.99533	1.0
233.05963	6.0
235.02368	2.0
235.07571	1.9
239.01843	17.2
239.06989	1.3
247.03018	0.5
249.00301	100.0
250.00606	3.2
251.07014	1.4
253.03409	7.8
261.05463	6.3
262.05920	0.8
263.01862	80.6
263.06772	2.0
264.02206	2.8
265.05145	0.7
265.09683	1.2
267.01306	0.7
279.06534	3.7
281.02844	1.0
286.04700	0.8
287.05524	2.0
289.04947	4.0
297.07550	2.0
307.06061	4.6
315.01727	1.3
321.08652	2.8
325.07257	0.6
333.02798	2.0
335.05490	21.6
336.05695	1.2
339.08707	1.6
349.08185	3.3
353.06622	5.8
354.06921	0.6
367.01144	1.2
367.08084	9.3
367.14688	0.6
385.02124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.4
51.02380	0.8
53.00102	0.2
53.00310	0.8
68.99802	0.2
79.01844	11.6
83.50636	0.2
83.86934	0.2
84.08140	0.3
91.05474	0.9
95.04925	0.2
100.07566	0.2
103.05456	2.4
105.07020	0.4
107.01305	100.0
108.01634	2.1
119.04976	0.2
125.02355	0.5
131.01291	0.3
131.04913	7.2
135.00758	9.7
149.02386	0.2
153.01811	23.2
154.02170	0.6
161.03477	0.2
165.01833	0.4
167.03398	3.6
171.04459	0.3
175.00284	0.3
177.01869	0.2
183.08008	0.3
193.01324	2.2
195.07919	0.3
202.99713	5.6
204.00018	0.3
204.03055	0.3
205.01353	0.9
207.02867	0.7
211.02357	2.4
214.99699	0.4
221.00787	84.6
222.01105	2.8
225.03937	0.8
229.01379	0.3
230.99219	13.2
231.99672	0.4
232.02432	0.4
235.02347	25.2
236.02756	0.8
239.01836	7.5
239.06943	0.4
240.02032	0.3
249.00284	46.3
250.00662	1.7
251.07114	0.3
253.03403	5.6
254.03755	0.5
263.01840	73.6
264.02222	2.8
267.01334	0.7
279.06558	0.6
281.02887	5.8
282.03128	0.3
291.06470	0.4
307.06018	1.9
307.09381	0.3
308.09164	0.4
321.08240	0.2
325.06876	0.3
335.05508	2.9
367.07980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13786	0.4
55.01871	2.6
55.05493	0.8
59.04978	1.8
60.05333	0.5
63.17345	0.4
65.03933	0.7
66.12318	0.5
67.05468	0.5
68.99776	1.0
69.03411	0.7
72.08163	0.5
79.05468	0.7
81.07009	0.7
85.02886	0.7
87.04453	0.7
89.06010	0.5
91.05454	2.6
95.04996	0.7
97.06519	1.1
105.03382	0.7
105.04491	0.4
105.07020	1.0
107.04933	1.2
111.04416	0.7
115.05453	0.7
119.04928	5.0
120.05694	0.6
121.02840	3.8
123.00776	1.8
123.08051	0.6
127.01555	0.9
127.03917	0.5
128.06184	0.6
128.30527	0.4
129.06946	0.5
131.04903	2.1
133.06488	0.8
134.47227	0.4
139.00362	0.5
140.01013	0.5
145.02875	0.9
145.06461	0.8
147.04385	2.0
157.06523	0.6
160.05208	1.5
161.05870	0.5
165.06956	2.1
166.51161	0.4
168.00490	2.6
168.05626	0.5
169.01335	3.5
177.06967	0.4
178.07780	4.3
178.64053	0.4
179.08527	2.0
181.06482	0.8
184.05162	1.3
185.05919	0.8
185.51845	0.4
186.01598	2.0
189.05455	0.8
189.06947	5.0
190.07748	4.0
191.08557	3.4
191.14197	0.6
193.06447	1.4
194.07239	1.6
195.04414	4.9
202.07780	3.6
203.08470	1.4
205.04858	0.6
205.06509	3.6
206.07272	2.6
207.08055	5.4
208.08769	2.0
213.05545	0.7
215.08611	0.9
217.06496	0.5
218.07257	15.1
219.06384	0.6
219.08061	6.7
220.08780	2.9
221.05957	4.6
221.09552	1.1
222.06670	1.1
223.07405	0.6
231.08046	3.0
232.08864	0.9
233.06030	1.1
233.09630	1.1
234.06830	5.2
235.07504	6.5
236.08287	5.3
237.09044	1.4
241.04979	0.9
246.06705	6.0
247.07565	5.5
248.08273	4.2
249.05376	3.2
249.09116	2.4
250.06195	1.0
250.09848	0.9
251.06956	1.2
251.10641	0.7
257.04266	0.9
258.07083	0.6
259.07538	0.9
261.06168	0.9
261.09085	11.4
262.06271	1.6
262.09421	1.0
263.07022	3.2
264.07767	11.7
265.08679	3.5
271.05972	1.0
274.06195	2.1
275.07007	1.9
275.53821	0.4
276.07727	1.8
277.05270	0.9
277.08536	4.7
278.09375	5.5
279.07037	0.6
279.09915	2.4
281.08130	0.7
285.03925	1.9
286.04684	57.2
287.05460	100.0
288.05750	6.8
289.08575	10.0
290.09027	0.6
291.06461	1.2
292.07275	7.4
293.07993	3.9
295.09525	0.9
299.05362	0.9
300.02487	0.6
305.07898	2.5
306.08810	1.9
307.06006	1.3
307.09583	12.7
307.13239	0.6
308.10251	2.5
309.07532	0.9
309.10834	0.4
317.08057	6.8
320.06699	1.5
321.07425	0.9
334.08160	0.5
335.09100	87.6
336.09521	8.7
339.08618	0.6
349.04611	0.8
367.01212	17.4
367.11725	20.2
367.20862	30.0
368.01529	1.4
368.12125	1.7
368.21194	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	367.1177
Annotation	Candidusin C
Peak:m/z	Relative Intensity
55.01883	3.5
55.05512	1.6
57.07056	3.1
67.05502	4.5
69.03394	1.5
69.06706	1.0
69.07061	12.3
71.08636	1.7
71.43522	0.9
79.05506	3.4
81.03401	2.5
81.07045	2.7
83.08603	0.7
91.05474	3.2
93.07068	3.4
95.04957	2.5
95.08605	2.6
99.08097	1.1
105.07012	3.6
107.04937	2.0
107.08590	1.7
109.06490	0.8
109.10144	2.4
111.35093	0.7
112.33490	0.8
119.04859	0.7
119.08556	2.0
121.06485	0.8
121.10153	1.6
123.08028	1.2
126.99482	0.8
127.01559	0.8
129.06989	1.5
131.04881	1.9
131.08569	1.5
133.02875	3.8
133.10126	2.1
137.05936	0.8
137.09642	1.1
141.00983	2.3
141.07014	0.9
143.08636	1.0
145.06468	1.1
145.10109	1.6
147.11678	0.8
149.02415	0.7
151.11143	2.3
155.02594	0.9
155.08612	0.9
155.10678	1.7
157.10121	1.2
159.08072	1.1
159.11606	1.1
163.07425	0.7
165.06970	3.0
171.11810	0.9
177.06996	1.2
177.12732	2.0
178.07759	5.2
179.08542	1.7
181.06465	1.5
183.11684	0.8
189.06967	5.8
190.07825	4.2
191.08530	4.0
193.06482	1.7
194.07292	1.6
197.07289	5.2
202.07751	4.1
203.08492	2.0
204.05800	0.8
205.06506	4.6
206.07251	3.1
207.08037	6.4
208.08777	2.6
218.07257	15.2
219.08020	6.1
220.08733	2.0
221.05998	5.3
221.09590	1.6
222.06581	0.9
231.08058	4.7
232.08751	1.2
233.05991	0.9
233.09552	1.2
234.06697	6.1
235.07530	8.2
236.08412	5.3
237.09000	1.7
241.09776	1.1
245.05864	1.2
246.06723	8.4
247.07608	5.8
248.08165	4.1
249.05449	2.4
249.09055	2.6
250.06227	1.0
251.10658	1.3
253.14326	1.8
257.18961	0.8
259.07477	0.9
261.06171	1.4
261.09052	14.1
262.06241	2.1
262.09485	0.9
263.07056	4.6
264.07788	13.5
264.10428	1.2
265.08640	3.9
274.06192	2.5
275.07001	2.1
275.20050	2.8
276.07870	1.8
277.05118	1.1
277.08597	4.8
278.09396	6.6
279.10153	2.4
286.04654	0.8
287.05518	2.5
289.08542	12.4
289.98285	0.8
290.08835	1.0
291.06610	1.7
292.07321	9.6
293.07916	4.6
293.21066	1.8
305.08112	3.0
306.08777	2.6
307.09650	14.8
308.10287	2.5
317.08011	7.8
321.07520	0.9
335.09109	100.0
336.09592	9.6
367.11679	15.9
367.15604	3.5
367.20660	1.7
367.24707	3.5
368.09055	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	367.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
55.01855	0.3
57.03405	0.5
63.02366	0.7
65.03951	0.6
67.05502	0.9
68.99786	0.7
71.43158	0.3
71.66133	0.3
75.00014	1.7
77.03952	0.4
78.99485	0.5
79.05490	1.6
81.03394	0.3
81.07040	0.5
83.01352	0.3
83.04943	0.4
85.02914	2.3
89.03911	10.8
91.05455	1.1
93.01041	1.1
93.07043	0.6
95.04954	2.3
95.08590	0.6
96.96078	0.4
97.06492	0.4
98.99978	0.5
102.99524	0.4
104.83625	0.3
107.04947	3.0
108.96337	0.3
111.04462	0.3
117.03374	12.4
118.03703	0.4
118.06522	2.5
118.71561	0.3
119.04923	1.5
119.08554	0.3
121.02859	13.6
121.06464	0.5
122.03197	0.4
123.04420	0.5
125.05978	0.3
126.99480	0.8
127.01556	5.5
130.06479	0.6
132.08084	1.5
133.06488	0.6
135.04408	24.1
136.01534	0.5
136.04749	1.1
137.02338	0.9
138.71486	0.3
141.03122	0.4
144.08098	1.7
145.02843	17.0
146.03181	0.6
146.04892	0.5
146.05992	6.8
147.04396	0.6
149.02347	0.6
151.03888	2.1
151.33223	0.3
154.02664	0.4
154.98933	0.7
155.03337	0.4
159.09172	3.8
163.03888	100.0
164.04231	3.4
169.00409	0.3
169.04962	1.2
169.06493	0.5
170.05980	0.6
181.01263	0.5
181.06476	0.6
186.99210	0.3
187.01541	0.3
188.07066	15.5
189.07243	0.9
195.04311	0.4
197.06047	0.7
199.07350	0.3
202.98645	0.4
205.09698	7.2
206.10017	0.3
212.99455	0.3
226.06252	1.8
227.06915	0.4
233.03645	0.4
237.05289	0.4
240.91591	1.0
247.05981	1.1
253.04912	1.0
254.05727	13.6
255.06483	10.7
256.07050	0.4
261.03113	2.0
269.08078	17.6
270.08435	1.1
271.06018	0.5
273.03113	1.0
281.04446	0.8
286.04648	3.5
287.05453	6.5
288.05872	0.6
289.02597	2.9
291.04245	0.4
292.07181	0.3
307.03641	1.5
317.02090	0.6
321.05176	1.1
330.94736	0.7
335.03146	16.2
335.09250	0.9
336.03436	1.2
349.04703	47.3
350.05087	3.2
366.92484	0.3
367.01154	0.7
367.05759	4.2
367.11566	1.5
367.16238	0.4
367.20889	9.9
367.25565	0.6
368.20953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63957	0.3
55.01865	2.3
55.05512	3.1
57.03437	4.5
61.01149	0.7
62.77586	0.3
69.03423	11.4
70.03770	0.3
70.06569	1.0
71.01341	0.5
71.04989	0.4
72.08150	35.6
73.02902	0.9
73.08469	0.9
81.03345	0.3
84.04499	0.4
84.08143	0.7
85.02897	5.9
86.09705	0.4
87.04466	0.6
94.77744	0.3
97.02885	11.4
98.83188	0.3
102.96838	0.3
108.04417	0.4
109.02871	0.4
110.07162	0.5
113.08887	0.3
115.03930	8.4
118.08643	0.3
119.03555	0.9
120.08099	2.7
121.08456	1.9
125.04900	0.4
126.09142	0.4
127.03884	0.4
133.05025	0.6
136.06174	100.0
137.04553	0.8
137.06638	1.5
137.07468	0.3
143.03398	2.3
161.04439	10.6
168.06497	0.4
191.11057	0.4
204.12309	0.8
214.10699	0.4
215.09088	0.4
217.72279	0.4
220.15141	0.6
232.09467	0.4
232.11772	6.6
235.13766	0.4
268.10388	0.5
268.93253	0.3
344.82700	0.3
349.16083	1.2
358.81686	0.3
367.17236	12.8
368.17377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	1.6
56.96559	24.6
66.09705	1.7
69.03396	1.9
70.74431	1.9
70.74744	1.5
71.95227	1.8
72.52896	1.5
74.97549	1.8
79.05470	5.7
79.13642	1.4
81.07022	6.7
91.05414	1.7
97.96758	2.4
98.97575	2.3
101.37955	1.6
105.06992	3.7
106.81786	1.5
110.97557	3.7
120.85477	1.4
123.08038	3.5
128.98553	4.1
138.66873	1.5
146.99580	2.5
149.54613	1.6
151.07426	1.8
157.00246	1.5
167.03807	1.8
173.04796	2.0
185.04811	3.0
199.06433	3.9
203.05930	2.8
205.07430	1.6
211.06290	3.9
213.07970	9.8
217.07376	6.2
225.07910	3.6
229.05704	1.7
229.07480	18.2
231.09047	12.0
237.04025	1.6
237.07689	2.7
239.09561	3.2
241.10997	4.4
243.08965	3.3
247.05968	4.0
247.08449	11.2
251.09460	5.0
255.08881	6.0
257.10406	2.2
259.12161	2.4
269.10577	32.0
270.10748	1.5
273.09860	2.6
279.09042	2.3
287.11649	12.4
297.09921	3.4
307.09476	1.6
331.15680	7.8
335.09192	2.6
349.16806	17.1
367.17752	100.0
368.18423	8.1
385.18823	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	367.2453
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
58.25834	0.4
59.84681	0.4
61.97047	0.4
67.05502	0.5
69.07066	0.6
69.27261	1.4
69.27673	0.7
74.24154	0.4
91.05518	0.5
93.07044	0.6
95.08588	0.7
98.22610	0.6
249.14719	0.7
304.24371	0.4
349.23743	0.5
367.24530	100.0
368.24857	7.6
376.99139	0.4
385.24411	0.6
390.97998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
67.05492	1.3
69.07045	0.8
70.40351	0.8
75.83996	0.5
79.05489	1.0
81.07043	1.5
83.30980	0.5
91.05476	0.6
93.07036	0.9
95.08608	0.9
95.50149	0.5
95.66829	0.5
105.07046	0.9
109.10201	0.6
119.08492	0.5
128.80122	0.5
130.87645	0.5
145.10155	0.7
178.66324	0.5
191.08507	0.6
195.09943	1.4
202.07840	0.9
207.08093	0.7
218.07288	1.4
219.07814	0.5
234.06665	0.7
246.06790	1.0
247.07861	0.6
248.08810	1.1
261.09058	1.2
263.07138	0.8
264.07877	1.4
275.19949	1.2
278.09222	0.7
286.04941	0.6
289.08521	1.3
292.07190	1.0
307.09692	1.1
317.08102	0.7
335.09094	10.0
336.09348	1.4
349.23285	0.8
367.11768	1.9
367.24512	100.0
368.24756	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	367.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14771	0.4
55.05503	1.1
67.05502	2.5
69.03398	0.6
69.07064	0.8
69.86897	0.8
69.87265	1.0
79.05479	1.8
81.07063	3.0
91.05437	1.1
93.07053	2.6
95.04959	1.9
95.08602	1.6
98.22658	0.6
105.07020	2.8
107.08562	1.7
109.06511	0.6
109.10154	0.6
117.07086	0.8
119.08572	1.5
121.06450	0.6
121.10156	1.6
129.07036	0.9
131.08502	1.2
133.10112	2.1
135.08017	0.6
143.08580	1.1
145.10123	1.9
147.11688	1.0
157.10091	0.8
159.11661	1.6
161.09564	0.9
161.13222	0.7
169.10124	0.8
171.11694	1.0
173.13306	0.8
187.14862	0.6
195.09937	2.0
201.12679	0.5
201.16438	0.6
218.26299	0.5
225.16287	0.5
275.20123	0.8
293.21167	0.6
349.24600	0.7
367.24524	100.0
368.24796	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01868	7.9
55.05507	42.8
57.03434	15.3
57.07074	2.4
59.05003	2.4
67.05157	3.0
67.05496	42.5
67.31599	1.7
69.03433	3.9
69.07066	12.2
71.04995	3.3
71.08624	46.9
75.50209	1.4
79.05490	37.5
79.76257	1.7
81.03421	4.8
81.07047	39.8
83.04973	7.7
83.08610	15.9
83.43227	1.5
88.54084	1.5
91.05466	12.7
93.07047	20.0
95.04968	10.8
95.08606	18.6
97.06550	2.1
97.10160	23.0
98.10442	1.4
98.23479	2.9
99.08083	31.7
105.06999	11.5
107.04981	2.8
107.08588	21.0
109.06525	3.4
109.10146	12.0
111.08054	2.1
117.07003	6.0
119.08579	6.3
121.06531	5.0
121.10158	6.2
123.08090	3.2
125.09628	22.7
127.11197	1.7
131.08563	6.2
133.10123	8.1
135.08043	5.8
139.11156	4.0
143.08510	1.6
143.10651	1.6
145.10114	5.8
147.11697	3.2
149.13286	3.2
151.11215	4.5
157.10095	2.5
159.11702	5.6
165.12769	4.1
167.10692	1.9
169.10202	1.7
173.13246	3.6
177.12762	5.1
189.11220	15.6
195.13820	1.7
208.85414	2.0
247.20717	2.0
257.19037	2.1
265.07175	1.5
267.16089	2.6
271.06036	3.0
275.20050	16.7
287.05765	2.5
293.21066	100.0
294.21634	8.7
335.05185	1.8
367.11890	4.2
367.24826	24.6
368.31354	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45350	1.3
53.03943	2.5
53.59805	1.6
55.01872	6.1
55.05508	27.1
57.03437	8.6
57.07084	3.1
61.01047	1.6
63.37954	1.8
67.05503	34.1
69.03423	5.1
69.07071	16.2
69.87429	3.6
71.08627	39.4
71.08992	2.8
73.33700	2.1
75.57928	1.4
79.05492	19.8
81.03413	13.1
81.07051	24.3
83.04981	6.5
83.08619	8.6
85.06527	2.2
91.05482	13.3
93.07029	13.6
95.04954	12.9
95.08609	11.1
97.06554	2.0
97.10156	11.6
98.23413	1.8
99.08089	22.7
105.07006	8.0
107.04954	1.9
107.08584	13.4
108.05798	1.9
109.06525	4.4
109.10142	11.6
110.19073	1.6
111.08089	2.3
117.06998	2.0
119.08577	6.8
121.06516	6.0
121.10156	6.0
125.09613	11.6
131.08586	4.7
133.10147	4.9
135.08061	3.8
135.11763	3.3
137.09604	8.9
139.11168	2.5
145.10118	3.1
147.11623	2.0
149.13293	2.6
151.11154	2.7
153.09099	1.8
158.00842	1.8
159.11679	2.4
165.12733	1.9
167.10692	1.6
177.12802	5.0
180.99550	1.5
189.11214	10.5
191.14137	2.0
195.13890	2.6
205.19539	2.9
247.20602	2.7
257.19028	1.6
271.06161	2.5
275.20029	16.5
284.19910	1.6
285.58414	1.8
286.04724	3.2
287.05573	4.3
293.21091	100.0
294.21545	3.8
322.27222	2.2
335.09201	2.0
346.52167	1.8
367.11841	7.1
367.20865	35.5
367.24832	28.3
368.21146	2.4
368.25314	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
53.91069	1.4
54.35212	1.7
55.01871	11.4
55.05253	2.5
55.05506	29.5
57.03436	14.2
57.07060	2.9
59.04996	2.2
65.03934	2.8
67.05501	57.5
68.62212	1.4
69.03432	2.6
69.07068	33.4
69.68142	3.7
69.85909	1.3
70.23429	1.2
71.04984	4.7
71.17186	1.2
77.03909	2.0
79.05487	47.6
81.03404	4.0
81.07052	100.0
82.07388	2.1
83.04972	5.4
83.08613	16.5
85.06557	3.2
87.04445	1.7
91.04945	2.9
91.05476	39.7
92.05842	1.5
93.07040	43.2
95.04961	14.1
95.08603	38.7
95.09209	1.6
97.06522	14.2
97.10159	5.4
98.23418	2.7
99.08079	2.6
103.43436	1.3
105.06352	2.4
105.07027	38.8
105.28756	1.3
107.04959	11.6
107.08585	27.4
109.06530	16.3
109.10149	18.4
111.08071	5.4
117.07019	15.4
119.08569	30.1
120.08968	1.8
121.06504	5.3
121.10138	16.6
123.08080	7.4
123.11687	8.9
125.09618	5.1
129.06999	2.5
131.08562	15.8
133.10123	27.0
135.08047	5.4
135.11694	10.5
137.09641	4.3
143.08577	3.2
145.10126	19.5
147.11687	22.5
149.02351	2.1
149.09612	15.9
149.13245	10.0
151.07498	1.8
151.11168	4.9
155.08511	1.8
157.10114	6.0
159.11696	12.5
161.09639	1.7
161.13223	5.3
163.11180	12.0
163.14857	2.4
165.09087	1.8
165.12675	4.7
169.10117	2.8
171.10330	1.5
171.11697	5.2
173.13243	6.1
175.11226	4.1
177.12820	4.3
179.14322	2.8
183.11673	4.1
187.11177	1.7
189.11188	2.7
189.12814	1.9
194.05267	2.7
197.13297	3.2
205.12335	1.8
207.13631	1.3
229.19498	3.2
239.17899	4.3
247.20575	5.4
257.19016	10.0
265.21609	1.8
275.20059	64.1
276.20416	4.2
293.21048	5.5
335.09030	2.4
349.23645	20.0
367.20786	2.8
367.24847	31.5
368.25333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01851	3.6
55.05505	25.2
57.03429	9.0
57.07080	3.6
59.05004	1.9
65.00899	1.5
67.05502	31.6
69.03426	4.4
69.07063	16.8
69.07404	2.3
71.04954	1.6
71.08627	34.4
71.09027	1.7
79.05484	21.8
80.96947	1.6
81.03408	11.6
81.07056	20.9
83.04959	3.9
83.08604	9.3
85.06543	1.8
91.05460	11.2
93.07038	15.8
95.04969	11.9
95.08595	14.4
97.06531	1.7
97.10165	13.6
99.08085	27.0
100.34340	1.7
105.07017	8.0
107.04923	2.1
107.08585	14.5
109.06522	4.0
109.10175	11.9
114.95689	1.7
117.06990	3.9
119.08584	7.2
121.06507	6.6
121.10157	5.8
123.08069	3.0
125.09599	11.4
129.06975	1.9
131.08548	5.2
133.10139	3.6
135.08061	3.7
135.11711	3.4
137.09602	11.8
139.11183	2.2
145.10167	3.5
147.11699	2.7
149.09665	3.4
149.13240	2.1
151.11179	6.3
153.09108	2.7
157.10095	2.5
159.11659	2.7
162.99031	1.6
163.11128	1.8
165.12712	2.6
167.10635	3.2
173.11751	3.3
173.13229	2.8
177.12721	5.7
189.11214	7.9
193.12238	2.7
204.90500	1.7
234.00317	1.7
257.19446	1.5
271.06149	2.9
275.19998	17.9
276.20233	1.8
286.04590	1.9
287.05402	3.6
293.21075	100.0
294.21402	6.7
349.23782	2.4
366.33405	1.8
367.11703	5.9
367.20807	36.7
367.24872	31.6
368.20953	2.6
368.25058	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01860	7.8
55.05254	1.9
55.05506	22.8
57.03434	17.5
57.07061	2.1
59.04995	14.9
65.03945	2.0
67.05501	58.5
69.03421	1.6
69.07060	33.0
70.55868	2.2
71.04969	4.9
74.93475	1.1
79.05486	48.9
81.03407	2.4
81.07050	100.0
82.07368	1.7
83.04981	7.6
83.08608	13.8
84.04467	1.2
85.06526	3.7
91.05473	39.9
93.06442	2.4
93.07034	40.3
95.04964	10.8
95.08597	39.3
97.06527	13.7
97.10148	6.0
99.08086	3.1
103.05441	1.6
105.04524	1.9
105.07024	43.8
106.07389	1.7
107.04965	8.2
107.08588	28.2
109.06512	12.3
109.10140	15.8
111.04414	1.2
111.08073	4.9
116.85120	1.3
117.06982	11.3
117.09122	2.7
119.08577	31.2
121.06553	2.4
121.10143	15.8
123.08051	8.8
123.11684	9.8
125.09616	4.2
127.07509	1.7
129.07010	4.0
131.08569	17.3
133.06476	1.9
133.10121	25.6
134.10416	1.5
135.08006	5.8
135.11684	9.5
137.05992	1.8
137.09613	5.0
137.13220	1.4
141.07019	1.8
143.08571	3.2
145.10106	17.2
147.08064	2.8
147.11662	22.4
147.12827	1.4
148.12030	1.2
149.09627	10.9
149.13246	9.9
151.11198	2.9
154.39722	1.1
157.10103	4.2
159.08011	1.3
159.11667	14.1
161.09566	2.0
161.13242	4.2
163.11136	6.0
163.14793	1.6
165.09041	1.3
165.12764	5.6
169.10170	1.8
171.10243	2.1
171.11694	4.3
173.09624	1.4
173.11906	1.5
173.13165	8.0
175.11177	2.9
175.13338	1.4
177.12741	4.1
179.14233	1.3
183.11668	2.1
189.11209	2.4
189.12787	1.5
191.14304	1.4
193.35641	1.2
195.13805	2.0
197.13252	2.0
198.14871	1.4
199.14909	1.2
201.12674	1.6
201.16418	1.5
207.13698	1.9
213.16400	2.4
229.19467	4.4
239.17967	4.6
247.05765	2.0
247.20538	5.3
257.19012	9.2
269.17508	3.4
275.20053	54.0
276.20309	1.9
286.04724	4.6
287.05316	6.1
293.21011	4.7
331.22583	3.1
335.09052	2.6
336.09619	1.2
349.23685	9.7
349.27524	1.7
367.11407	1.6
367.20749	2.9
367.24753	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85083	2.1
53.03938	6.5
55.01869	100.0
55.05505	65.4
55.05778	2.2
56.05818	2.5
57.03425	14.9
57.07064	5.5
59.04976	2.5
62.72874	1.9
65.03923	4.1
67.05499	63.3
69.03413	4.0
69.07060	28.4
71.04987	6.4
71.08614	6.1
79.05486	47.5
81.03401	11.2
81.07053	55.6
83.04971	14.8
83.08617	11.8
84.69045	2.0
85.02895	2.0
85.06544	3.7
86.60554	2.2
91.05466	33.8
91.05990	3.2
93.07038	45.7
95.04960	41.7
95.08598	42.3
97.02874	2.1
97.06523	8.0
97.10170	13.8
99.08062	3.3
105.04469	3.2
105.07025	38.8
107.04975	11.7
107.08588	30.5
109.06506	15.1
109.10133	25.8
111.04458	4.1
111.08077	4.7
117.06982	10.1
119.08567	31.7
121.06488	6.3
121.10112	21.5
123.08078	11.3
123.11675	4.5
125.09621	96.4
128.06253	3.1
129.07004	5.0
131.08545	22.6
133.10124	29.5
135.08064	15.0
135.11702	7.5
137.09608	15.2
139.11174	8.0
141.06969	2.0
142.07779	3.2
143.08551	11.7
145.10097	20.6
147.07982	4.0
147.11690	12.7
149.09621	6.6
149.13237	6.9
151.11182	16.8
153.12796	2.2
155.08522	5.5
157.10114	9.2
157.79265	2.3
159.08101	2.5
159.11681	24.9
161.09604	6.0
161.13264	7.2
163.11169	9.2
165.09116	2.9
165.12740	3.5
167.10632	3.6
169.10106	6.9
171.11682	8.2
173.09650	3.3
173.13222	10.4
175.11128	3.6
175.14870	2.5
177.12717	15.4
183.11754	4.3
185.13203	2.8
187.11176	5.7
187.14784	3.8
189.16428	2.6
191.14326	6.0
195.11667	3.2
197.13260	3.9
199.14754	5.0
201.12741	3.0
201.16327	10.4
205.12193	2.4
211.14822	3.1
213.16501	4.4
215.14447	2.3
219.13814	2.5
225.16405	3.6
227.17929	3.4
229.19452	3.4
239.17935	3.5
241.04944	3.1
247.20547	5.3
251.17935	2.8
255.20950	2.5
257.19070	4.1
271.06113	3.3
275.20065	18.8
286.04568	3.7
287.05484	3.6
293.21155	6.5
349.24689	6.9
367.11456	11.9
367.25821	37.1
368.31363	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03980	1.6
55.01864	3.5
55.05507	24.3
57.03432	7.6
57.07097	1.6
58.70472	0.7
59.05028	1.5
65.03958	1.5
67.05501	20.8
69.03137	1.2
69.03482	3.4
69.07066	24.9
69.47832	0.9
69.48160	3.3
71.05003	1.4
71.08266	1.1
71.08624	28.5
79.05484	17.5
80.36497	0.7
81.03416	3.5
81.07050	19.4
83.04988	4.4
83.08610	5.9
85.06611	1.0
89.11096	0.7
91.05478	7.3
93.07045	16.0
95.04957	7.9
95.08601	10.2
97.02905	1.2
97.06595	2.5
97.10158	8.0
99.08091	21.2
103.05418	0.7
105.07027	8.8
107.05017	3.3
107.08588	12.2
109.06500	3.6
109.10151	8.9
111.04442	3.6
111.08147	1.6
111.11759	1.3
115.05495	0.9
117.06994	3.8
119.08564	6.4
121.02905	0.7
121.06565	3.3
121.10130	5.9
123.08092	1.3
123.11738	1.5
125.09606	7.6
129.07066	1.5
131.08549	6.7
133.10103	6.4
135.08034	2.0
135.11746	3.2
139.11246	2.2
142.07791	1.0
143.08566	2.3
145.10115	8.0
147.11739	3.4
149.09641	1.6
149.13303	3.0
151.11208	1.7
151.14923	0.9
153.09164	1.4
155.08592	0.9
157.10159	2.6
159.11716	5.8
161.13339	1.9
163.11241	1.1
164.12045	1.0
165.12778	1.2
167.10735	3.4
169.10214	1.3
171.11699	1.9
173.09650	0.7
173.13225	3.6
177.12823	3.3
179.10733	1.1
181.01379	2.0
181.10120	0.8
183.11725	1.2
185.13301	2.4
187.11102	0.9
187.14865	2.3
189.11209	4.7
189.16292	0.8
195.13779	1.4
197.13164	1.1
199.02391	1.4
199.14899	1.6
200.15453	0.8
201.16313	5.6
205.12433	0.8
207.55574	0.7
209.13156	1.1
211.14919	0.8
213.16457	1.3
225.16318	0.8
239.17966	0.7
241.05025	1.5
247.06096	1.4
247.20760	1.7
257.18927	1.3
265.21692	1.9
271.06076	1.9
275.20050	9.2
286.04874	1.3
287.05389	2.3
293.21075	100.0
294.21429	6.4
299.05475	8.5
300.05991	1.1
325.06857	1.1
367.11752	11.4
367.24722	39.8
368.11588	0.9
368.25156	2.8
368.31158	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	14.4
57.07061	6.4
67.05501	38.5
69.03422	6.1
69.07069	23.0
69.36559	11.0
71.04961	2.4
71.08624	7.1
79.05491	21.6
81.07056	58.5
82.07345	2.1
83.05009	5.3
83.08617	10.2
85.06534	3.2
91.05480	29.5
93.06462	3.2
93.07043	59.1
93.07610	4.3
95.04976	11.8
95.08602	56.0
97.02885	12.5
97.06510	3.8
99.08089	5.5
103.06909	2.4
105.07030	64.9
107.08589	65.0
109.06506	11.3
109.10146	55.0
110.10486	2.4
111.04448	64.0
113.06043	2.5
115.05418	3.6
116.06286	2.5
117.07028	21.4
119.08573	56.4
120.08883	2.7
121.06494	5.4
121.10132	25.7
123.08076	16.8
123.11706	9.7
129.07004	8.4
130.07802	8.0
131.08565	38.6
131.09471	3.6
133.10126	58.9
135.08049	7.5
135.11682	12.8
137.09686	4.3
137.13223	2.7
141.06905	2.5
142.07799	4.7
143.08557	22.5
144.09323	4.2
145.10112	83.9
147.08081	3.7
147.11667	41.9
149.13260	28.0
153.09166	2.6
153.12770	3.3
155.08623	3.2
156.09290	3.5
157.10152	16.2
158.10928	7.3
159.11691	79.1
160.12000	3.7
161.09636	7.3
161.13255	16.0
163.14847	3.6
169.10168	6.1
170.10901	2.9
171.11687	20.8
172.12447	3.3
173.09703	3.2
173.13254	37.3
175.11192	3.1
175.14809	9.1
179.10716	4.4
179.14336	13.9
181.10071	2.6
183.11693	5.6
185.13278	16.3
187.14803	35.2
188.15315	2.7
189.16400	17.9
197.13278	5.9
199.11386	2.3
199.14815	19.4
201.16377	100.0
202.16768	4.9
209.13208	3.9
211.14740	3.3
213.16432	11.1
225.16499	4.6
227.17896	3.9
241.19492	5.0
251.14352	2.7
251.20137	3.6
255.21059	5.7
257.22681	3.9
259.16949	7.9
267.21042	2.7
269.22662	7.0
279.21088	2.9
293.21103	5.9
293.28409	2.4
297.18607	2.8
303.26859	6.3
307.20529	2.7
311.19925	3.1
321.26086	2.5
325.21643	3.3
331.26367	19.4
349.27402	53.7
350.27716	4.6
367.15115	6.9
367.26318	72.0
368.26804	4.0
387.63776	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	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01862	1.8
55.05509	22.2
57.03431	2.4
57.07071	9.8
59.04983	3.9
65.03934	5.4
67.05502	44.3
67.05862	2.3
69.03418	7.8
69.07061	22.6
71.04993	7.9
73.18593	1.2
77.03913	3.3
79.05486	31.3
81.07050	53.9
82.07393	1.7
83.05002	6.3
83.08610	11.6
85.06529	6.8
91.05470	55.8
92.05795	2.0
93.07037	80.4
94.07369	2.0
95.04964	41.4
95.08595	60.9
97.06515	15.6
98.22516	2.1
98.93140	1.3
99.08051	1.7
103.05488	3.3
105.04523	4.7
105.07021	92.4
106.07304	2.6
107.04939	3.0
107.08582	65.0
109.06505	16.4
109.10146	44.7
111.08075	6.2
115.05415	6.6
116.06222	3.6
117.07007	22.2
119.04921	2.2
119.06091	2.1
119.08567	100.0
120.08884	1.6
121.06490	12.2
121.09263	3.0
121.10134	51.4
123.08071	8.5
123.11699	14.9
125.09590	3.3
128.06226	10.6
129.06995	17.0
130.07790	7.8
131.08556	66.6
132.08977	1.5
133.06487	2.2
133.10120	66.6
134.10681	1.4
135.08035	18.1
135.11670	23.9
137.09619	7.8
137.13226	1.8
141.06958	7.3
142.07790	20.5
143.08553	42.7
144.09340	11.6
145.06499	3.0
145.10107	69.4
146.07281	7.0
146.10593	4.0
147.08034	12.2
147.11662	23.8
149.09581	17.8
149.13242	4.0
151.11081	1.8
153.06960	2.7
154.07732	1.7
155.08530	14.1
156.09331	14.6
157.10114	52.5
158.07274	1.4
158.10895	7.6
159.08046	5.5
159.11679	43.9
160.12335	2.1
161.09605	42.7
161.13243	12.1
162.10039	2.1
163.11165	5.8
163.14810	2.9
165.07004	4.6
167.08543	6.8
168.09360	4.6
169.10115	18.0
170.10931	7.7
171.07968	1.6
171.11662	28.9
172.08820	1.6
172.12398	4.6
173.09596	6.7
173.13243	32.0
174.13707	1.4
175.11212	8.5
175.14803	20.7
177.12779	2.8
179.08528	9.6
180.09383	3.6
181.10124	11.6
182.10847	5.5
183.11679	20.7
184.12437	6.0
185.09589	4.5
185.13257	17.5
186.13815	1.5
187.11241	3.4
187.14801	17.6
189.12708	3.9
189.16388	2.9
191.14397	1.8
192.09415	1.4
193.10115	5.8
194.10883	8.6
195.11636	13.2
196.12395	4.7
197.09538	1.9
197.13266	17.8
198.10394	1.4
198.13850	3.0
199.11192	5.1
199.14801	16.6
200.15361	1.7
201.12741	5.4
201.16342	7.9
205.15880	2.2
206.10846	1.4
207.11674	5.7
208.12399	2.5
209.13219	21.6
210.13901	4.5
211.11127	1.5
211.14752	9.3
212.15567	2.1
213.12761	4.9
213.16402	4.2
215.14391	2.3
217.15955	1.5
219.11597	1.5
219.17392	1.8
220.12479	1.4
221.13225	4.1
223.14806	6.5
224.15515	2.1
225.16348	7.6
226.17253	1.9
227.14287	16.4
229.15680	1.5
229.35954	1.5
233.13269	2.9
235.14873	3.2
237.16335	3.9
239.14198	2.7
239.17889	8.6
241.15901	2.0
241.19475	2.0
245.13078	1.7
247.15167	1.4
249.16396	2.4
251.17928	3.9
253.19525	4.3
255.17426	4.9
257.19022	5.2
261.16269	1.7
265.15921	1.4
265.19525	4.4
266.20206	2.6
267.17386	4.4
269.19104	3.2
271.20456	1.8
275.17908	2.8
279.17410	1.8
283.20584	3.5
293.18759	2.7
316.21588	1.9
331.24188	3.3
349.25043	8.8
367.26318	16.3
368.26550	2.1
368.42346	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.5
55.05510	25.7
57.07069	13.6
60.08146	7.5
65.03938	6.5
66.04830	6.2
67.05502	44.2
69.07070	32.7
69.33858	26.1
71.58312	6.9
79.05482	33.2
81.07051	67.3
83.08615	19.9
85.06551	7.1
90.20011	4.8
91.05473	72.3
93.07038	85.1
95.04948	42.6
95.08604	65.6
97.06494	10.1
98.23476	11.3
105.07033	100.0
107.08584	65.4
109.06522	23.1
109.10146	42.9
110.10383	5.4
115.05493	9.3
117.07031	23.9
118.68356	6.0
119.08575	88.2
121.06481	7.9
121.10130	57.4
123.11695	18.5
126.24486	6.2
128.06239	24.3
129.07021	26.7
130.07788	10.3
131.08542	59.5
133.10126	63.6
135.08034	21.4
135.11691	25.8
137.09637	8.0
140.07759	6.3
142.07813	27.5
143.08551	45.1
144.09364	15.1
145.10098	66.9
146.07291	8.1
147.08070	11.2
147.11688	25.9
149.09610	18.9
155.08539	15.4
156.09373	14.1
157.10106	56.6
159.08104	9.2
159.11719	39.1
161.09616	49.7
161.13243	10.8
169.10115	21.7
170.10866	12.7
171.11659	29.2
173.09741	9.2
173.13258	30.4
175.11111	14.4
175.14815	18.2
179.08586	9.1
181.10081	14.5
182.10881	8.1
183.11659	24.5
185.13286	21.1
187.14822	15.4
194.10988	9.2
195.11601	8.5
197.13313	20.3
199.14801	18.3
201.12825	7.5
201.16423	12.5
209.13213	28.2
210.13992	8.6
211.14885	15.2
213.12619	6.2
223.14764	11.4
225.16403	7.2
227.14346	20.5
239.17850	14.6
244.97626	6.3
267.17468	8.4
283.20642	6.6
287.05392	8.7
307.87906	6.4
349.25327	12.9
367.26532	27.5
368.42419	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
53.51849	1.6
55.01870	5.4
55.05509	21.8
57.03432	3.0
57.07075	4.3
59.04996	2.3
65.03946	3.2
66.74503	1.8
67.05500	28.7
67.33213	1.9
69.03442	4.5
69.07058	21.4
69.55042	7.8
71.04982	3.8
71.08631	12.5
72.64462	1.5
77.46580	1.6
79.05486	40.3
81.03423	2.5
81.07050	100.0
83.04975	7.5
83.08627	8.3
87.58633	1.7
91.05476	44.0
93.06444	3.8
93.07036	65.2
94.18881	1.4
95.04959	26.8
95.08593	44.4
97.02862	3.7
97.06527	12.8
97.10160	5.9
99.08092	10.9
99.78525	1.7
103.05473	3.1
105.04517	4.8
105.07021	68.0
105.07746	3.4
106.07307	1.8
107.04953	4.7
107.08586	42.5
107.88463	1.8
108.93768	1.8
109.06513	7.5
109.10146	19.9
111.04427	8.3
111.08067	5.2
111.56104	1.7
115.05461	4.0
116.06270	1.6
117.07008	18.4
119.06056	2.0
119.08573	52.0
119.09427	2.9
121.06510	6.3
121.10135	32.3
123.08062	6.2
123.11690	5.9
125.09643	5.6
128.06213	4.4
129.07016	8.2
130.07790	5.6
131.08562	33.0
132.08929	2.0
133.10114	31.3
135.08049	6.7
135.11684	12.9
135.12604	1.8
137.09586	4.3
140.55620	1.8
141.06963	2.9
142.07785	5.8
143.08545	15.1
144.09326	5.0
145.10115	66.4
146.10608	2.2
147.08014	3.4
147.11674	31.1
149.09669	2.0
149.13249	6.4
151.11143	4.9
155.08572	6.3
156.09375	3.1
157.10100	18.5
159.11690	47.9
160.12395	4.3
161.09641	3.8
161.13242	15.3
163.14807	2.4
167.10675	2.7
169.10141	6.3
170.10767	2.1
171.08162	2.2
171.11641	14.6
173.09566	2.3
173.13235	20.7
175.11244	2.4
175.14874	5.1
177.12776	3.6
181.10123	3.5
183.11685	5.6
185.13141	10.5
187.14790	18.7
189.11197	2.3
189.12724	2.6
189.16339	7.1
195.11742	3.8
197.13272	7.9
199.14827	8.7
201.12750	2.6
201.16356	47.0
202.17076	2.7
209.13246	5.8
211.14790	4.1
213.16400	7.4
215.18048	1.9
223.14919	2.4
225.16364	3.4
227.17888	9.9
237.16414	3.8
239.17981	2.8
241.19633	2.5
251.18007	3.5
253.19403	2.4
265.19431	4.5
269.04391	2.4
271.06097	2.1
275.20056	6.9
286.04709	2.8
287.05493	2.3
293.21078	45.2
294.21518	3.0
321.25592	2.7
335.05151	2.1
349.25220	6.2
367.11816	8.7
367.26285	52.9
368.26843	3.4
368.31256	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	367.2842
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.01859	1.3
55.05506	18.7
55.28771	1.1
56.05848	1.1
57.07076	5.1
67.05499	32.4
68.05840	3.4
69.03417	2.0
69.07062	29.3
69.35079	5.5
70.07394	1.3
71.04990	2.1
71.08624	12.8
79.05487	11.8
79.74719	1.1
81.07053	35.2
82.07384	3.1
83.04978	3.8
83.08611	13.4
84.08951	1.2
91.05478	9.2
93.07035	16.9
95.04961	6.1
95.08599	32.7
96.08968	2.7
97.06524	3.6
97.10167	3.8
99.04475	2.1
99.08076	15.3
101.81567	1.1
105.07017	14.7
107.04922	1.2
107.08582	17.2
109.06516	10.0
109.10146	18.4
111.04432	3.4
111.08089	4.6
117.07015	2.4
119.08568	11.3
120.05135	1.1
121.06512	3.2
121.10121	11.2
123.08056	32.5
123.11687	6.1
125.05972	4.0
125.09631	2.0
131.08525	5.8
133.10107	14.7
135.08052	7.4
135.11641	6.3
137.09630	3.4
137.13266	2.6
139.07486	1.8
143.08586	1.9
145.10112	7.2
147.11693	5.3
149.09642	5.0
149.13277	3.7
151.11148	1.7
153.12715	5.3
157.10124	2.6
159.11696	8.8
161.13243	2.3
163.11191	1.4
163.14796	2.1
165.12811	2.1
169.10040	1.2
171.11670	1.3
171.46475	1.1
173.13277	4.4
175.14818	2.9
177.12740	2.0
177.16325	2.2
179.14294	34.7
181.12212	1.8
183.11725	1.2
187.14778	2.2
189.16428	3.9
191.14336	2.8
193.15877	2.6
201.16370	4.9
233.18831	1.3
251.20076	8.5
275.20123	2.1
287.05338	2.4
293.21066	11.1
293.28351	3.5
303.26761	16.5
304.27142	1.6
307.26221	6.6
308.26685	18.0
321.27826	5.8
331.26294	38.9
332.26538	2.2
349.27341	100.0
350.27695	6.8
367.15353	9.2
367.21756	1.2
367.25903	2.8
367.29108	1.8
367.33862	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	368.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94324	1.2
56.96568	1.5
58.01466	0.9
59.54430	0.9
68.99786	3.6
69.03416	1.7
72.93784	18.9
75.53828	1.0
84.25196	1.1
90.94825	15.6
91.05482	3.7
103.05460	2.1
107.01321	4.5
108.01706	1.0
108.95869	1.8
110.95318	6.1
112.72588	1.2
112.96875	2.1
119.04930	4.6
122.82974	1.0
127.03904	1.6
128.96371	2.1
130.97887	1.5
131.01297	2.4
131.04887	7.9
132.95793	4.9
136.03896	1.5
139.05441	1.5
141.07004	2.2
142.94345	1.1
146.97359	1.1
147.00764	5.0
147.04372	2.8
150.96902	2.7
153.06908	1.5
155.04932	2.3
165.01836	3.8
166.94287	2.1
168.95807	2.2
169.06473	1.8
175.03941	5.3
176.03452	1.3
182.93822	4.5
184.95285	10.2
187.00235	7.5
194.93770	1.9
194.96278	1.0
195.75429	1.0
197.06026	1.2
198.93301	1.8
200.94832	8.4
200.99921	2.4
202.96344	6.5
204.02908	6.2
205.01317	16.3
205.04546	1.2
207.06499	15.5
212.94818	17.3
212.96889	1.9
214.96446	1.8
214.99788	3.1
216.94279	2.4
218.95892	3.6
221.00841	2.7
222.01172	2.9
222.03914	1.7
222.93309	3.5
224.94933	1.4
225.00018	7.1
228.94398	2.4
228.99471	2.4
230.95862	35.4
232.02467	6.9
236.02788	1.3
240.94284	77.8
241.94603	2.1
242.95868	6.8
243.01028	1.6
244.98854	1.7
246.95340	2.1
247.02426	2.9
248.96886	1.5
249.00269	2.0
250.03722	1.5
252.99385	8.1
254.92245	2.3
258.95349	61.8
259.95670	2.2
260.96948	4.2
263.95889	3.4
264.02197	2.9
268.98975	2.7
271.00488	6.5
272.63782	1.1
280.99026	2.0
282.06177	3.8
283.00610	1.4
284.98407	2.7
286.07941	1.5
286.99948	2.8
289.01572	1.8
291.06549	4.0
296.98486	1.9
298.99875	8.6
302.99362	1.8
305.01038	1.5
308.09283	5.8
308.98251	1.5
312.97913	2.4
314.99399	5.8
317.00806	4.3
323.09082	2.0
326.99265	10.6
330.99030	2.7
335.04166	1.2
336.08606	3.0
340.97479	4.2
345.00464	78.0
346.00742	5.6
349.00214	3.1
351.08624	1.7
358.98477	29.9
359.98926	2.3
363.01566	100.0
364.01938	9.5
368.02148	68.5
368.07043	1.1
368.11530	3.4
369.02466	6.0
376.99551	3.3
381.69675	1.2
384.27853	1.2
386.03165	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	368.0763
Annotation	Ekatetron
Peak:m/z	Relative Intensity
51.91915	0.3
52.01902	11.3
53.00296	1.6
56.99322	0.3
64.01874	0.7
65.00268	1.0
68.99794	1.4
76.01880	1.5
80.01368	0.4
92.01359	9.2
92.99758	12.3
98.97569	0.4
99.08826	0.3
103.05456	0.6
104.01337	4.3
106.37954	0.3
112.07574	0.3
120.00801	1.6
120.99165	0.3
122.02370	1.5
131.04912	1.3
132.00822	2.0
138.01788	0.3
148.00276	14.8
149.00526	0.3
160.00270	2.5
162.05409	0.4
166.01334	8.0
175.99738	2.0
178.01337	2.4
196.02350	1.7
203.03429	0.7
205.01367	0.4
222.00317	6.0
231.98636	1.7
232.06026	1.8
240.01347	0.9
249.99788	13.4
251.00220	0.4
268.00845	100.0
269.01230	3.0
270.01404	0.7
307.09662	1.2
336.04877	2.2
336.12167	1.8
345.02771	0.5
354.06039	54.8
355.06381	3.4
368.29187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03419	1.8
61.02922	2.4
69.03133	0.5
69.03427	5.8
70.06577	0.9
70.21886	0.8
71.04992	0.6
72.08134	1.6
73.02252	0.5
73.02919	2.4
81.03403	1.9
85.02419	0.5
85.02901	6.3
87.04468	2.2
91.05469	1.1
97.02884	3.7
99.04408	0.5
101.02361	0.7
103.04186	0.9
109.02853	1.4
110.07174	0.7
117.04472	1.8
119.04916	2.0
124.02185	0.8
127.03893	1.1
131.12903	1.3
134.00574	3.2
135.05447	0.5
136.06068	0.4
137.02341	0.6
144.05623	0.5
146.27338	0.4
147.04379	2.4
151.03209	2.3
156.07762	0.7
160.02116	3.2
161.01663	21.6
162.02135	0.8
175.03949	2.9
179.02727	1.2
188.02765	54.5
189.03499	4.2
200.02686	0.8
206.03821	100.0
207.04120	2.7
207.06517	4.8
245.04504	1.2
247.06020	0.5
248.04863	1.9
332.07477	0.6
350.08292	0.9
351.02545	1.2
356.74454	0.4
368.09088	100.0
369.09329	6.8
369.14182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78878	0.6
65.03922	0.6
66.25788	0.6
69.85535	2.0
71.50800	0.6
75.02345	0.6
91.01804	1.3
91.05459	1.6
95.04975	0.8
96.08118	0.5
97.08919	1.3
98.09682	1.0
103.01830	2.5
103.05460	10.5
105.03406	1.7
107.01318	2.0
107.87462	0.6
108.01656	0.9
119.01272	1.5
121.02846	2.9
123.04425	0.7
123.38767	0.6
131.01285	21.3
131.04924	29.3
132.05289	1.1
133.02840	0.9
147.00766	34.3
147.04379	1.0
148.01201	0.7
149.02318	6.7
151.03882	0.8
155.05002	0.6
159.15065	0.5
164.03395	1.5
165.01830	22.3
166.02176	0.9
169.01277	0.9
175.03893	1.1
176.03416	2.1
179.03423	0.8
179.08447	0.8
187.00258	62.8
188.00620	1.8
189.01840	0.9
191.03375	5.3
194.04434	1.7
199.07573	0.7
204.00031	1.1
204.00954	1.0
204.02916	32.5
205.01317	100.0
206.01614	3.5
207.06468	0.9
214.99739	31.0
216.00143	1.1
219.02829	1.3
221.00836	1.6
222.01189	1.8
222.03957	6.7
223.02342	3.0
230.04459	1.1
232.02399	60.9
233.00766	4.4
233.02788	1.9
235.07509	1.1
236.05576	2.9
247.02353	16.6
247.07663	0.7
249.05444	0.7
263.06973	1.7
264.04984	4.0
265.05145	0.9
265.08499	0.5
288.05713	3.0
291.06491	43.9
292.06885	2.7
293.07977	1.5
308.09164	45.6
309.09470	2.4
315.32761	0.6
322.10818	0.7
323.05597	1.1
323.09137	1.8
336.08704	16.9
337.09198	1.3
351.04938	0.9
351.08603	2.5
368.11404	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	368.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.3
55.19211	0.2
61.64337	0.3
63.02357	0.6
65.88146	0.2
69.72640	0.9
75.02370	0.9
91.01815	1.0
91.05466	0.6
93.03386	0.4
98.23378	0.5
103.01791	1.5
103.05456	1.7
107.01286	0.5
119.01274	1.1
119.04874	0.3
121.02859	2.4
130.02858	0.4
131.01280	20.2
131.04924	4.3
132.01607	0.5
136.03911	0.6
141.93161	0.2
147.00758	31.9
148.01074	0.8
149.01228	0.5
149.02332	6.7
151.03870	0.3
159.00670	0.3
162.04568	0.3
163.03761	0.3
164.03384	1.8
165.01830	21.8
166.02168	0.7
175.03918	0.5
176.03491	2.2
177.01680	0.3
179.03381	0.7
187.00247	62.9
188.00580	2.5
189.01791	0.6
191.03384	0.4
194.04515	1.3
195.02785	0.3
204.02911	30.0
205.01309	100.0
206.01628	3.5
207.06500	0.6
214.01193	0.3
214.99730	30.1
216.00081	1.1
216.02904	0.7
221.00632	0.4
222.03946	5.5
223.02374	3.0
232.02394	52.2
233.00748	3.8
233.02760	1.9
247.02364	15.5
248.02800	0.6
249.05508	0.6
250.12355	0.3
264.04971	2.1
268.60745	0.3
280.09811	0.4
291.06485	37.5
292.06836	2.4
293.08035	0.5
308.09140	40.7
309.09799	2.1
336.08643	14.1
337.08884	0.8
351.08496	1.8
362.47311	0.3
368.11270	4.3
369.11414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00300	0.6
65.03938	0.9
72.88817	0.7
75.02368	0.7
77.95318	0.7
81.95155	0.6
84.08147	0.8
91.01834	1.2
91.05536	0.7
98.23457	1.3
103.01827	2.2
103.05452	1.3
119.01250	1.1
121.02860	1.8
130.16656	0.6
131.01286	19.0
131.04921	4.1
136.03944	0.7
147.00766	36.8
149.02332	7.2
150.00145	0.7
164.03413	1.3
165.01836	20.0
176.03476	2.1
177.18880	0.6
187.00255	69.2
188.00558	2.4
194.04504	1.4
204.00978	1.4
204.02916	32.0
205.01320	100.0
205.27225	0.7
206.01721	2.7
214.99745	28.8
216.00130	1.0
222.03940	5.5
223.02367	2.3
232.02403	53.6
233.00807	3.2
233.02856	1.5
247.02368	15.1
262.23575	0.7
264.05048	2.2
291.06497	34.6
292.06815	1.8
292.45169	0.6
293.07986	0.7
308.09155	38.8
309.09464	1.8
309.72006	0.7
336.08636	13.7
336.12418	1.1
351.08670	1.6
368.11163	5.3
384.57779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.1
62.18170	0.5
69.22105	0.9
69.22409	3.8
72.93797	0.7
77.32513	0.7
82.04189	0.6
84.92071	0.5
90.94830	0.6
91.05449	1.1
98.97576	1.7
103.05441	1.4
105.03368	2.9
107.01303	1.8
109.02891	0.7
110.42967	0.6
116.98698	0.8
122.45606	0.6
131.01294	2.2
131.04938	4.1
131.36253	0.6
147.00789	3.1
147.04399	1.1
149.02328	1.1
153.63547	0.7
160.22942	0.6
165.01788	3.5
167.03371	0.6
175.03886	1.0
178.02650	3.4
181.01408	0.6
184.95358	0.6
187.00287	5.4
190.05005	0.6
200.94772	0.8
203.03391	0.9
204.02884	3.4
205.01309	10.8
206.02080	7.0
207.06483	0.8
209.16389	0.6
212.95068	0.7
212.97095	0.7
214.99738	3.4
221.00728	0.9
222.01169	0.8
222.04010	1.1
223.02441	0.8
223.07426	0.7
224.03152	2.6
230.95862	1.5
232.02386	5.7
240.94276	3.6
247.02446	1.4
251.07019	1.3
252.07715	2.0
258.95334	2.7
263.02075	0.7
263.06931	1.6
264.02209	0.9
265.04950	1.6
279.06500	10.6
280.07281	6.6
281.07724	0.8
282.97626	0.6
286.07825	3.5
287.08237	0.6
288.08478	0.9
290.05832	1.6
291.06464	5.3
292.07251	4.1
293.04468	7.8
295.06271	0.9
295.09729	1.8
299.02359	0.7
305.08072	1.9
307.05975	4.5
308.06720	71.2
309.07101	3.9
317.00211	0.6
317.03439	1.9
323.09134	100.0
324.09482	6.8
327.02158	1.2
335.04208	0.8
336.08728	1.5
344.99857	1.6
345.03400	1.5
350.10208	1.8
351.08612	45.8
352.09131	3.7
352.12924	0.9
356.21945	0.6
358.98303	1.3
363.01453	4.5
368.01907	4.0
368.10965	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	368.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.8
68.99780	1.5
70.06567	0.7
75.02377	0.6
81.28617	0.5
81.99596	0.5
84.08138	5.9
91.01823	2.2
91.05466	1.8
95.04964	0.7
96.08098	0.8
96.32748	0.5
97.08889	1.6
98.09702	0.9
98.23533	1.2
100.07609	1.0
103.01826	3.0
103.04773	0.8
103.05463	13.6
105.03405	1.0
106.06516	0.9
107.01308	1.0
109.02893	0.7
110.06078	3.4
119.01274	0.6
119.04932	0.9
121.02855	2.3
121.06506	1.6
123.04426	0.6
125.85016	0.6
131.01280	22.5
131.04916	40.0
132.01552	0.7
132.05290	0.8
133.02806	1.1
135.05513	0.6
140.97032	0.7
142.25783	0.5
146.02277	0.7
147.00761	34.8
147.04404	2.6
147.05481	1.3
148.01016	1.0
149.02354	7.6
151.03894	1.0
159.00790	1.2
161.03493	1.3
162.05482	1.3
163.03845	0.9
164.03400	1.4
165.01828	23.3
166.02069	1.0
166.24332	0.6
175.03874	1.0
176.03421	2.5
177.01839	0.8
179.03389	1.0
179.08559	1.0
182.99260	2.9
187.00255	61.2
188.00600	2.3
189.01787	1.2
191.03401	5.2
191.08461	0.6
194.04489	1.5
204.02917	35.4
205.01318	100.0
206.01656	3.7
207.06502	1.5
207.08238	1.0
208.06058	0.6
214.99750	30.8
219.02945	0.9
219.08057	1.2
221.00754	1.0
222.03932	7.0
223.02415	2.9
230.04427	3.5
232.02399	56.5
232.33810	0.5
233.00778	4.0
233.02806	1.3
235.07564	1.0
236.05504	3.5
237.03992	0.6
247.02376	15.0
248.02719	1.0
248.05539	0.9
250.05986	0.6
263.07016	2.1
264.05042	3.1
265.08417	1.0
275.07050	0.8
285.03824	1.3
288.05826	1.7
291.06491	40.2
292.06812	2.4
293.08066	1.0
307.10678	1.0
308.09158	40.5
309.09549	2.1
310.10748	2.4
322.10931	1.0
323.05612	0.7
323.09210	2.0
336.08655	14.2
350.13959	0.8
351.08487	3.0
368.11285	4.5
368.15186	0.8
368.32700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82386	0.7
52.04639	0.6
56.05017	0.7
63.02376	0.6
68.99775	0.8
69.80184	2.5
75.02367	0.7
91.05467	1.5
91.77309	0.9
96.08121	3.5
97.08903	6.7
98.09669	3.1
98.26921	0.8
103.01818	2.9
103.05458	4.6
104.04967	2.5
105.03358	1.3
116.04987	1.2
121.02831	2.3
121.08364	0.7
122.06003	1.5
131.00294	1.2
131.01274	17.5
131.04919	11.1
132.04462	1.1
147.00758	29.5
148.03943	0.8
149.02328	6.4
151.03888	0.9
152.03407	1.1
160.03941	3.2
161.02386	1.0
164.03397	1.1
165.01833	21.3
165.03180	1.5
166.02147	1.2
175.03908	1.1
176.03432	3.0
178.05017	0.8
187.00244	47.5
188.00587	1.7
189.01917	0.9
194.04510	3.0
204.02911	29.9
205.01315	100.0
206.01643	3.1
207.06432	1.8
214.99733	27.1
222.03960	16.5
223.02382	3.3
223.04295	0.9
232.02390	60.3
233.00778	4.4
233.02640	1.2
235.07529	0.7
240.05020	1.8
247.02374	14.6
264.05005	8.1
291.06494	34.3
292.06760	2.3
308.09161	37.7
309.06931	0.9
309.09799	1.1
336.08661	12.5
351.08679	1.7
368.11194	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	368.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.2
67.04226	0.8
67.05517	0.7
67.90691	0.8
68.05035	0.9
68.99783	12.0
69.03407	1.3
69.73247	2.7
70.06590	11.9
74.03083	0.8
81.05772	1.3
82.06578	23.2
83.06932	1.0
91.05489	3.2
94.06559	3.2
95.02451	1.6
95.04937	0.8
96.04482	0.9
96.08128	43.0
97.08907	100.0
98.09689	72.6
98.97575	1.0
99.09988	1.0
99.77264	0.8
103.05450	5.9
105.07014	3.0
109.02907	1.4
113.03474	6.8
119.04931	4.2
119.17980	0.8
122.06057	1.3
127.03888	1.1
131.04913	11.6
136.07581	1.9
139.00281	2.1
147.04436	4.8
149.02380	0.9
151.05072	2.3
165.01813	4.3
165.05495	1.1
166.99747	2.4
172.70004	0.9
175.03905	5.0
176.07141	1.1
183.02983	1.8
185.00809	13.9
189.01869	1.5
204.06548	1.6
205.01340	1.1
206.02126	1.2
207.02962	1.2
207.06537	9.1
208.06042	1.8
215.03297	1.1
218.04550	0.9
218.08131	2.0
221.04411	4.0
233.00778	2.2
242.18922	0.9
246.07573	11.2
247.03781	0.9
248.03188	1.0
249.03906	9.2
264.08679	1.0
265.04724	1.3
271.06049	8.6
293.08215	1.6
317.03302	1.6
323.05518	0.9
350.13870	33.3
350.18243	1.6
351.14282	2.8
368.15033	2.2
369.09561	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	368.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03938	1.0
55.01876	0.3
55.05304	0.2
55.05511	2.4
57.03416	0.6
63.59988	0.2
64.46717	0.3
69.03424	3.5
71.04987	0.4
71.41804	0.3
73.02911	0.5
78.03449	7.6
79.04237	0.3
80.05023	3.2
81.03411	5.9
83.08613	0.7
85.02900	5.0
87.04443	0.3
91.05466	0.9
96.04490	3.6
97.02883	2.1
99.04462	1.7
99.05042	0.3
105.07038	0.4
106.02908	28.9
107.03242	0.6
107.08601	0.3
109.02871	5.1
117.14563	0.2
119.04929	1.2
121.02860	0.9
121.06496	0.3
123.08092	0.3
124.03941	100.0
125.04286	2.1
127.03908	4.3
145.04926	0.5
147.04384	1.0
157.03928	0.2
166.05013	0.5
175.03900	1.4
196.06023	0.5
196.67395	0.3
202.04953	0.4
207.06497	3.3
208.06076	0.3
232.06020	0.7
239.07169	0.4
247.05989	0.3
250.07080	12.9
251.07419	0.8
265.06970	0.3
268.08139	10.4
269.08517	0.5
337.10538	0.7
351.10864	0.6
368.17075	7.4
368.21243	0.6
369.13364	0.4
369.17480	0.6
379.17899	0.2
379.52222	0.3
385.51123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29692	0.9
56.87291	0.9
59.04981	1.6
59.79758	1.0
69.03442	1.9
69.47602	1.1
69.47945	4.3
70.06577	1.6
72.08155	3.0
84.08140	1.2
85.02890	2.1
86.09695	3.1
87.04460	2.1
91.05465	1.5
94.25909	0.8
95.82293	0.9
97.02896	3.7
97.06553	1.1
105.05508	1.4
110.07172	4.9
112.03793	1.3
119.04947	2.3
120.08152	1.4
125.90260	0.9
127.03928	2.2
131.12936	1.0
132.70284	1.1
136.06168	1.4
137.02330	5.0
138.33554	0.9
140.03159	2.3
142.04799	1.5
145.04947	1.5
147.04414	3.2
147.06302	1.4
166.04771	2.7
175.03931	3.3
184.05807	16.8
189.00812	1.0
207.06535	7.5
221.12631	1.5
251.13597	7.1
253.11554	3.3
267.13113	2.7
279.13165	4.1
297.14194	29.3
298.14590	2.6
322.08878	1.7
324.15298	2.0
350.16760	2.4
351.02362	2.0
368.10281	3.0
368.17883	100.0
369.03665	6.0
369.10614	1.0
369.18616	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	368.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01873	6.6
57.03431	6.2
57.16516	3.1
58.50457	2.9
60.32172	2.7
61.02926	6.0
69.03428	39.7
69.35526	13.3
71.04986	3.2
73.02934	5.2
80.12223	2.6
81.03410	29.4
85.02401	6.4
85.02905	100.0
87.00829	46.9
91.05488	4.7
97.02895	33.7
98.23450	4.9
99.04471	13.9
99.71621	2.9
105.01862	69.5
109.02880	23.0
119.04961	9.0
119.31066	2.9
120.05363	3.8
121.02890	3.8
123.00787	3.2
127.03920	73.6
145.04955	35.8
147.02847	3.4
147.04388	7.8
159.02896	12.1
169.01317	3.1
175.03949	10.2
196.04654	4.4
207.06464	20.4
224.96915	3.3
231.05008	18.3
249.06203	5.0
286.04733	15.2
287.05206	67.6
288.05804	91.2
289.05917	4.0
368.01535	14.0
369.00952	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	369.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	21.5
58.06591	24.1
63.80281	12.9
69.03413	21.0
70.06603	32.6
70.08955	33.6
84.11903	15.5
91.05483	17.4
98.97567	41.8
116.98611	21.9
119.04935	40.6
136.06235	18.9
147.04340	31.7
156.07712	25.6
162.92308	15.5
175.03920	42.9
191.54646	15.4
195.12834	14.6
207.06439	100.0
219.01723	19.0
237.02974	23.4
244.90627	16.0
283.99911	15.2
337.73901	15.2
369.11411	24.9
369.15479	18.1
369.25143	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	369.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53365	1.5
52.60169	1.7
55.86829	1.5
56.17127	1.6
59.00564	1.6
62.87074	1.8
69.03418	13.4
70.06587	6.4
74.06087	2.4
75.76542	1.7
77.63330	1.5
84.08134	3.7
84.82073	1.6
85.02895	2.3
86.09686	1.7
91.05478	20.4
97.02892	1.9
98.97582	3.3
110.07152	22.8
111.07514	2.5
116.98634	2.1
119.04938	31.9
121.02842	2.3
121.85562	1.7
127.03912	6.6
132.02090	3.0
136.06152	2.2
144.65619	1.7
147.04405	38.1
151.03897	3.3
155.08151	1.9
157.04010	3.1
162.78116	1.9
166.06178	3.3
175.03894	45.8
179.07025	3.9
203.04694	2.5
205.06133	5.0
207.06514	100.0
208.06815	3.7
235.05992	1.8
237.13466	3.4
241.62564	1.8
249.00230	2.0
251.14977	2.0
281.31815	2.0
327.03781	2.2
333.08847	2.4
351.10471	2.8
369.05908	2.4
369.11484	7.8
369.17783	2.3
369.24850	2.5
390.23904	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	369.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01864	1.0
55.37306	0.6
55.46215	0.7
56.96566	3.9
64.36507	0.6
65.03931	1.7
67.05492	0.9
68.99779	6.6
69.03415	1.1
69.49822	2.6
77.03925	1.2
79.01857	0.9
79.05502	1.1
79.35335	0.8
81.03406	12.5
81.07057	1.9
83.16080	0.6
91.05485	3.3
93.03398	1.4
95.04950	3.3
95.08596	0.7
98.97564	3.6
100.07598	0.7
102.10633	0.6
103.05459	37.3
103.83167	0.6
104.05818	1.0
105.03381	5.2
105.04477	1.4
105.07030	2.1
107.01308	11.0
107.04951	1.4
109.02875	15.9
109.06483	0.8
111.04434	3.0
113.05999	0.7
116.98579	2.1
119.04913	2.7
121.02853	5.9
122.92491	0.6
123.04433	1.1
124.03945	1.2
125.05993	0.7
131.04916	100.0
131.83493	0.7
132.05232	3.9
133.02843	3.7
134.99637	2.3
135.00764	5.8
137.02368	4.6
137.05980	6.7
139.03906	2.3
141.05513	0.8
147.00772	1.7
147.04416	2.0
149.02336	14.4
151.03900	1.6
153.01802	6.3
155.03394	0.7
155.04858	0.9
161.02344	5.5
165.01863	4.3
165.05511	1.8
167.03372	7.3
169.04950	10.6
173.05959	5.4
175.03917	2.7
177.01817	26.7
178.02541	1.7
178.07761	0.9
179.03371	2.4
181.01337	0.8
181.05002	1.2
184.97597	1.3
187.00255	0.9
189.01715	1.3
191.03423	2.9
193.04945	2.1
195.02875	23.4
196.03151	0.8
197.04440	1.2
205.01317	19.9
206.01627	1.8
207.06474	4.1
209.04404	4.9
212.96991	3.2
213.03880	3.0
214.99803	1.1
219.02798	1.6
219.07924	1.2
221.05943	0.7
222.01160	0.9
223.02357	8.2
227.60266	0.7
230.98036	1.3
231.03392	1.0
233.00800	6.2
235.07526	1.6
237.03911	10.4
241.03362	1.1
247.02539	0.8
251.01936	1.2
255.05042	2.5
263.07025	5.0
265.03424	22.6
266.03775	1.0
277.17957	1.4
281.01212	1.0
281.08041	3.1
282.97546	0.7
283.04440	8.2
291.06564	1.1
293.02966	1.0
295.09497	0.9
299.02118	2.0
299.09161	1.8
309.07419	6.8
317.03241	6.1
324.08887	0.9
327.01895	5.1
327.08459	5.0
328.01797	0.8
335.04361	3.9
337.07028	1.3
341.10229	0.8
345.02805	9.6
363.03632	2.0
369.05606	1.1
369.09714	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	369.0971
Annotation	Paeciloquinone E
Peak:m/z	Relative Intensity
53.03935	3.7
55.01862	1.6
56.96548	2.4
65.03925	2.0
67.05465	0.7
68.62094	0.9
68.99796	5.5
70.06580	1.2
70.24261	1.5
70.66007	0.7
77.03928	1.1
79.01863	1.3
79.05466	1.1
81.03418	9.6
81.07048	2.1
89.03941	0.8
91.05499	2.8
93.03397	1.1
95.04948	2.1
98.97595	3.7
103.05467	34.3
105.03387	6.2
105.04496	0.7
105.07018	2.7
107.01317	14.8
107.04958	2.1
109.02876	16.0
109.06483	0.8
111.04447	2.0
113.05982	0.8
116.98627	1.8
119.04998	0.9
121.02871	5.4
125.05917	0.7
128.06288	1.5
131.04926	100.0
132.05283	2.5
133.02866	4.8
135.00764	6.2
135.04341	1.0
137.02312	5.6
137.05968	9.7
139.03920	2.7
147.00749	3.0
147.04364	1.4
149.02327	12.9
151.03880	2.4
153.01808	6.5
161.02347	5.1
163.03918	1.0
165.01811	4.4
165.05464	1.9
165.06969	1.1
167.03401	7.4
169.04959	12.8
169.06310	1.4
173.06024	4.1
175.03880	2.0
175.11090	0.9
176.30026	0.8
177.01822	26.4
179.03377	2.9
179.08527	0.9
181.04898	1.6
181.06529	1.2
187.00276	2.0
189.01709	0.9
190.99675	0.8
191.03421	2.3
191.08691	1.1
193.04919	1.5
195.02892	23.5
196.03249	1.2
197.04524	1.1
205.01311	22.7
205.03200	1.3
206.01648	1.7
207.06548	3.0
207.08269	0.9
209.04422	7.5
212.96939	1.3
213.03935	4.8
214.99751	2.3
219.02859	1.8
219.08043	1.1
223.02325	7.8
231.17474	0.8
233.00771	6.0
235.07515	2.1
237.03970	12.2
239.07036	0.8
247.02580	1.0
249.18384	0.9
251.01987	1.0
253.08466	1.1
255.05067	2.1
263.07025	5.5
265.03442	23.9
277.18048	2.9
281.08148	3.0
282.97510	0.9
283.04501	8.7
291.06409	1.1
292.06866	1.2
299.02252	1.7
299.09030	2.1
309.07437	6.5
309.10150	0.6
317.03256	5.5
323.09177	1.3
327.01749	3.9
327.08554	5.0
335.04343	2.3
337.07135	0.9
341.10135	2.0
345.02695	7.2
363.03528	1.0
369.09811	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	369.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84607	0.7
55.01873	2.3
60.75082	0.9
65.03926	1.3
67.01863	3.3
67.05460	0.8
69.03431	10.7
79.05495	0.8
81.03415	5.8
81.07041	0.9
85.02900	3.9
91.05472	25.7
93.50148	0.8
94.02906	0.9
95.04958	1.3
97.02887	1.9
99.04499	1.5
105.07051	1.1
107.04957	2.1
109.02866	2.1
111.04423	0.8
119.04939	38.3
120.05254	0.9
121.02861	7.8
121.06493	5.6
122.46114	0.7
127.01575	2.6
127.03914	4.7
131.04916	1.2
132.02103	2.0
133.02841	1.0
135.04376	1.2
137.02342	0.8
137.05940	1.2
140.03378	3.9
145.02849	2.2
147.04398	32.6
149.02350	1.7
151.03912	2.4
152.35675	0.8
157.03954	3.1
162.01855	2.1
163.03931	2.1
164.04390	2.7
165.04382	1.2
167.07054	1.8
175.03900	51.9
176.04303	1.7
179.07042	2.8
190.01340	58.4
191.01642	1.5
192.04207	1.2
202.98582	0.9
204.00984	1.1
204.02911	25.4
207.06517	100.0
208.02405	62.2
208.06850	2.7
209.02805	1.1
222.03960	3.1
225.07640	1.3
226.06233	1.1
231.04065	0.7
232.02408	47.1
233.02791	1.7
237.07672	0.8
240.24944	0.8
250.03493	2.5
253.05359	0.9
254.05724	6.8
255.06520	4.9
256.06638	1.0
267.06143	0.9
269.08105	8.1
291.02377	1.6
310.07092	12.3
337.02872	7.6
337.10684	4.4
351.04462	26.4
351.10541	6.4
352.08139	94.6
353.08521	7.6
363.86957	1.0
369.05905	1.5
369.10654	20.9
370.10883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
63.22219	0.9
65.03958	1.7
67.05521	1.2
69.03426	3.9
70.01838	0.9
70.06591	4.1
70.90742	1.2
70.91071	0.8
72.08160	2.2
79.05491	1.4
80.05026	7.1
81.03431	5.2
81.04549	2.5
81.07049	2.2
84.08152	1.5
85.02898	2.4
91.05477	16.8
93.04528	1.2
94.25452	0.9
95.04964	2.0
96.26295	0.9
97.02892	1.5
99.04436	2.4
100.07623	7.9
103.05464	22.4
103.06114	1.8
107.06077	52.9
108.06368	1.5
109.02878	3.5
109.04020	2.5
110.09678	1.7
119.04945	19.0
121.55777	1.0
126.09117	1.3
127.03923	1.8
127.05052	3.2
131.04926	48.5
132.05312	1.9
134.04768	2.7
135.05534	45.9
137.05948	1.0
137.07074	1.3
147.04427	19.2
147.05536	3.9
148.03894	1.4
157.01324	1.4
157.03969	2.7
161.03452	2.8
169.01350	1.2
169.71565	1.0
171.04372	0.9
171.14967	1.2
173.06010	1.3
175.03886	28.1
177.06596	15.4
179.07056	1.7
181.09651	0.9
182.11726	1.9
193.06041	1.3
200.01852	1.6
203.04507	100.0
204.04840	2.3
205.06125	2.4
207.06519	43.2
221.05656	2.7
225.07446	1.2
238.17989	1.6
254.17528	2.8
254.21188	5.5
281.12735	1.5
286.07230	1.7
287.05582	2.6
289.06003	1.9
307.10721	23.8
317.03204	1.4
325.11841	6.4
335.04453	1.4
351.10583	3.6
369.11237	2.7
370.26965	2.2
370.30829	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	369.112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	100.0
70.06583	0.8
70.23512	1.4
71.95260	0.5
72.96035	1.1
74.97604	1.1
83.97620	1.5
84.08150	0.8
85.99184	0.5
106.55467	0.5
120.08095	1.1
126.23962	0.5
136.06161	1.2
144.96861	1.3
149.02739	1.1
162.97905	0.5
163.00623	0.7
165.02220	1.3
167.03825	1.6
176.03821	18.5
177.02231	1.5
178.05380	28.0
179.05630	0.7
181.01611	0.5
183.03282	5.5
183.98239	0.5
186.02295	0.8
190.01735	0.5
192.03279	1.5
194.04874	7.3
194.06444	0.6
195.03525	0.7
195.05406	0.6
196.06436	22.6
201.04343	4.9
204.03284	6.8
208.02826	3.4
210.04349	1.1
222.04353	64.0
223.04698	1.7
226.03912	2.6
240.05408	55.9
241.05713	1.6
242.05714	0.5
245.05836	0.6
278.05734	0.6
324.09079	1.3
351.10059	5.8
369.11176	45.7
370.11603	2.6
387.12186	6.0
388.12241	0.7
391.81519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08376	1.5
69.03429	2.3
70.06603	2.9
70.38437	3.1
71.88766	1.7
81.07864	1.4
83.46420	1.6
91.05478	4.2
110.07143	2.8
119.04948	6.0
147.04393	5.9
165.05479	1.6
175.03902	9.7
177.98952	1.5
185.04245	3.2
189.03732	1.5
206.05588	4.0
207.06453	25.9
249.00084	7.6
249.89946	1.7
280.57269	1.5
369.05966	10.3
369.11526	100.0
369.25159	2.6
370.11746	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	369.1178
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
61.02912	1.6
65.03922	1.1
65.27684	0.4
69.03064	0.7
69.03425	10.9
70.67563	0.6
81.03406	0.9
83.05000	0.4
85.02897	0.4
89.03923	0.6
91.05473	21.8
92.05766	0.5
97.02852	1.2
101.05979	0.5
103.05456	0.9
107.05009	0.4
109.02906	0.5
117.03296	0.4
119.04932	31.1
120.05259	0.8
127.03900	4.4
129.03368	0.6
131.04919	0.8
132.02023	1.5
135.04431	0.5
136.05202	0.6
145.02750	0.4
147.04395	30.1
148.04761	0.7
149.02307	0.9
157.03970	4.2
164.04683	0.8
165.17952	0.4
167.07002	1.3
175.03889	52.1
176.04247	2.1
179.07033	2.6
207.06506	100.0
208.06816	2.8
225.07590	0.8
232.02338	0.5
245.08206	0.5
250.03455	0.8
263.09088	0.5
323.16141	1.2
325.22952	0.4
337.10596	0.9
351.10626	1.8
369.11887	3.6
369.16687	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	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02398	0.4
56.00626	0.4
59.52345	0.3
61.02911	0.5
65.03928	1.1
69.03067	0.8
69.03430	14.2
69.36280	1.9
70.06583	0.5
72.98636	0.4
81.03415	0.7
85.02930	0.8
89.03914	0.6
90.06059	0.4
91.05480	20.3
97.02881	1.2
99.04437	0.6
103.05497	0.5
109.02854	1.3
117.03378	0.7
119.04940	28.7
120.05277	0.9
123.42023	0.5
127.03924	6.7
129.85851	0.4
131.04958	1.1
132.02057	1.0
133.02829	0.5
136.05183	0.4
145.02812	0.4
147.04405	26.0
148.04698	0.6
149.02330	0.8
155.41362	0.4
157.03954	2.6
164.04663	0.7
167.06967	0.5
174.03058	0.5
175.03903	51.4
176.04271	1.8
179.07033	2.0
192.04211	0.7
201.67848	0.4
207.06519	100.0
208.06833	3.0
219.06519	0.5
263.09149	0.7
273.32291	0.5
291.08591	0.7
351.10739	3.1
369.12207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
50.42044	0.4
61.02928	0.6
63.96448	0.5
65.03925	1.5
67.05488	1.1
69.03425	13.3
70.06566	1.6
71.04993	0.6
71.41309	0.6
75.02345	0.4
79.01885	0.4
79.05491	1.0
81.03403	1.2
84.08128	0.8
85.02897	1.7
89.03897	0.6
89.32236	0.5
91.05479	20.4
91.33795	0.5
95.04922	0.8
96.27370	0.4
97.02879	2.6
97.31283	0.4
97.96421	0.4
100.07607	2.5
103.05476	3.2
105.07003	1.0
109.02864	0.8
118.04121	0.7
119.04939	29.7
120.05231	0.8
122.09708	2.3
125.05965	0.5
125.09649	0.5
126.09130	0.7
127.03904	5.0
127.04749	0.6
128.00763	0.9
130.08661	0.9
131.04913	5.1
132.02060	1.8
135.04425	0.7
145.04964	0.5
145.08672	0.6
146.03525	0.5
147.04404	27.7
148.04846	0.5
149.02374	1.2
151.03922	2.4
152.10741	0.7
156.04262	0.4
157.03979	2.7
161.03674	0.4
164.04681	1.1
167.05573	0.5
167.07024	0.6
169.01317	1.9
169.06485	0.5
175.03902	49.9
176.04214	1.2
179.06985	2.8
182.11739	4.6
185.05917	0.4
191.06961	1.2
192.04210	0.5
207.06516	100.0
208.06816	3.9
215.06995	1.3
225.07594	0.8
225.62436	0.5
235.05916	0.7
252.16040	0.6
254.17503	6.7
259.59784	0.5
263.09314	0.8
279.06485	0.8
286.04800	0.7
287.05472	4.8
288.05511	0.9
289.06058	1.8
323.05508	0.6
333.09180	0.8
337.86041	0.6
351.10544	1.9
352.05765	0.5
368.29150	1.5
369.01404	1.1
369.11508	4.4
369.29230	1.2
370.26935	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
55.01872	0.3
61.02919	0.8
65.03933	1.0
69.03424	15.3
69.57291	0.9
70.06603	0.3
70.27506	0.3
77.03901	0.4
78.20447	0.4
81.03413	1.7
85.02911	1.6
89.03928	0.9
91.05474	25.1
95.04953	0.4
97.02882	1.6
99.04456	0.6
101.03884	0.3
103.05437	0.7
105.03389	0.4
109.02879	1.7
114.10339	0.3
115.05426	0.3
117.06980	0.3
118.04130	0.6
119.04934	37.5
120.05283	0.8
121.02837	0.4
121.06503	0.8
127.03915	5.7
129.03343	0.9
131.04967	0.5
132.02112	1.6
133.02841	0.3
133.06436	0.4
135.04401	0.6
135.08031	0.6
136.05162	0.7
145.02928	0.6
145.06458	0.7
146.03548	0.3
147.04399	31.1
147.32199	0.3
148.04738	0.7
149.02341	1.2
157.02826	0.5
157.03993	3.7
163.03900	0.3
163.07520	1.4
164.04684	1.1
167.06987	1.0
175.03889	53.8
176.04294	1.7
177.05367	0.3
179.06981	2.5
180.45668	0.3
185.05965	0.5
187.07570	0.3
192.04189	0.5
207.06503	100.0
208.06850	4.1
213.05650	0.3
219.06505	0.7
225.07510	0.8
245.07980	0.3
261.07648	0.4
263.09100	0.5
291.08530	0.6
322.90744	0.4
351.10681	4.0
369.12018	3.0
369.15903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41031	0.4
53.03942	0.6
55.01862	0.7
57.03429	0.5
62.87443	0.5
65.03934	1.5
69.03066	0.9
69.03427	12.9
71.01337	0.4
73.02859	0.5
77.03922	0.6
79.05469	0.7
81.03410	8.7
81.07043	0.4
81.20422	0.4
85.02890	3.9
89.03898	0.8
91.05473	26.4
92.05826	0.6
95.04941	0.9
97.02891	1.4
99.04503	0.8
103.05460	1.0
105.03397	0.5
107.04927	0.7
109.02859	3.5
117.03315	0.5
117.75607	0.4
118.04163	1.0
119.04934	37.7
120.05276	1.5
121.02882	0.6
124.03979	0.4
127.03907	4.8
129.03397	0.7
131.04935	0.6
132.02060	1.8
135.04398	0.8
145.02884	1.0
147.04395	31.6
148.04771	0.7
149.02328	1.6
151.03908	1.3
157.03960	4.8
161.05983	0.9
164.04646	1.6
165.06888	0.4
167.07030	1.3
175.03891	57.2
176.04283	1.6
178.07840	0.6
179.07054	3.1
189.06927	0.5
191.06921	0.5
191.08533	0.5
192.04132	1.2
194.07300	0.7
202.07768	0.6
203.08572	0.8
205.06529	0.8
207.06505	100.0
208.06876	3.1
219.08060	1.4
221.09587	0.6
222.06676	0.6
223.07561	0.5
225.07491	0.8
231.08028	1.2
234.06691	0.8
235.07675	0.6
237.09155	1.0
247.07631	1.1
248.08287	1.0
249.09132	0.8
250.06209	0.6
251.07028	1.0
259.52582	0.4
261.09015	0.6
261.83331	0.4
262.10089	0.5
263.06952	0.6
264.07803	0.9
265.08694	2.3
266.09222	0.8
277.08521	0.6
279.06577	0.7
279.09958	0.5
286.04745	1.7
287.05313	2.8
288.05411	1.3
289.05988	1.9
291.10056	1.7
293.08057	0.8
294.08951	0.9
305.08127	0.5
307.09436	0.6
309.11099	1.7
319.09607	0.9
322.08173	0.6
325.07068	0.5
337.10663	13.6
338.11258	1.4
351.10693	10.2
369.01111	0.6
369.13248	6.1
369.22171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
55.01870	0.5
61.02927	0.8
65.03939	1.3
67.05493	0.5
69.03064	0.8
69.03430	13.1
69.16146	2.1
77.03927	0.5
78.11546	0.3
81.03409	1.6
85.02900	0.9
89.03947	0.6
91.05481	24.9
92.05813	0.5
95.04944	0.5
97.02888	1.3
99.04468	0.4
103.05459	0.8
104.02645	0.3
105.07027	0.5
107.04948	0.8
109.02885	1.2
118.04162	0.7
119.04942	37.9
120.05255	0.8
121.02847	0.5
121.06474	0.6
127.03927	5.0
129.03348	1.1
131.04907	0.8
132.02052	1.6
133.02852	0.6
135.04385	0.8
136.05219	0.8
137.05994	0.6
145.02863	0.8
147.04407	32.9
148.04747	0.6
149.02354	1.1
157.03967	4.1
164.04729	0.7
167.06999	1.3
175.03903	57.3
176.04300	2.3
177.01984	0.4
179.07024	3.0
191.06996	0.5
192.04189	0.7
207.06516	100.0
208.06805	3.3
225.07625	0.9
235.22583	0.4
263.09158	0.4
294.08618	0.4
337.10587	1.3
339.12051	0.4
351.10626	2.0
369.11893	3.2
369.22400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
54.04203	0.4
55.33714	0.4
61.02919	0.6
64.13754	0.4
65.03944	1.7
68.99782	0.5
69.03428	14.9
69.05499	3.3
77.03916	0.5
79.05509	0.5
79.40408	0.4
79.58628	0.5
81.03424	3.2
81.07057	0.5
85.02905	1.4
89.03902	0.8
91.05479	26.2
92.05817	0.8
93.61917	0.4
95.04965	0.7
97.02918	2.2
99.04439	0.5
103.05443	1.0
105.03377	0.6
105.07014	0.7
109.02880	1.9
110.07293	0.4
110.50042	0.4
119.04942	39.7
120.05276	1.2
121.02866	0.9
127.03915	5.8
129.03363	0.9
131.04921	0.8
132.02081	2.0
135.04358	0.4
136.05173	0.8
145.02864	0.6
147.04405	32.1
148.04779	1.4
149.02342	1.7
151.03867	0.7
157.03960	4.6
163.03944	0.5
164.04730	1.1
167.07050	0.7
175.03903	54.9
176.04301	1.2
179.07021	2.7
192.04117	1.1
207.06516	100.0
208.06851	3.3
219.06444	0.7
261.07501	0.5
265.06894	0.5
286.04797	3.0
287.05450	5.4
288.05399	1.7
289.06110	2.6
291.09451	0.4
309.11169	0.7
319.09549	0.8
337.10645	2.9
351.10776	4.2
369.01047	1.0
369.12372	2.2
369.22116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
55.01867	2.1
56.05038	0.4
56.46855	0.2
56.96552	0.3
57.07076	0.4
58.02932	0.2
67.05499	2.6
69.03433	0.2
69.07073	0.2
69.51964	0.7
70.06596	0.7
78.03439	5.1
84.03437	0.2
84.08138	5.5
85.06536	6.2
91.05489	0.7
94.06559	4.2
95.04970	0.7
96.04486	64.2
97.04821	0.9
98.06049	0.4
98.22774	0.4
100.03962	1.0
102.09142	0.3
103.05467	1.0
104.04991	2.0
104.40148	0.2
107.06039	1.1
110.02557	0.3
112.07599	9.4
119.04961	0.8
122.06020	100.0
123.06368	2.2
130.08627	5.8
131.01273	0.3
131.04907	2.6
132.05249	0.6
135.05566	1.3
147.00761	0.7
147.04399	1.9
148.01106	0.3
150.05492	47.2
151.05827	0.8
158.08124	0.6
165.01884	0.6
168.06551	8.1
175.03928	0.8
177.06601	0.5
184.09668	0.3
187.00276	0.8
187.05070	0.4
188.00569	0.3
202.10791	0.3
203.04529	2.4
204.02911	0.6
205.01273	2.0
205.03186	0.7
205.06093	0.5
206.01643	1.3
207.06494	1.7
214.99724	0.5
222.03755	0.2
230.10214	8.1
231.10547	0.6
232.02370	0.9
233.02695	0.9
292.06808	1.0
307.10361	0.6
307.13312	0.4
309.09631	1.2
325.10318	0.3
325.13956	4.4
333.08710	0.4
337.09064	0.4
369.12891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1328
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01858	1.8
55.05507	1.6
56.96544	0.9
57.07087	0.7
58.07455	0.6
59.32946	0.8
61.29038	0.8
67.05501	1.4
69.03419	6.8
69.07056	1.4
81.03421	1.4
81.07038	1.4
83.04964	1.0
85.02917	0.9
91.05478	14.4
95.04951	1.6
96.78069	0.7
100.11250	1.8
101.05987	1.7
103.05454	0.9
105.07013	1.3
107.04957	1.4
107.08596	1.6
119.04926	18.7
119.08602	1.1
121.02866	1.8
127.03918	2.4
131.04935	2.5
131.08604	0.9
132.02103	1.2
145.10092	0.9
147.04391	15.4
157.03966	1.5
165.06996	2.1
165.18019	1.0
166.07710	0.8
167.06993	1.1
167.08571	1.4
175.03900	27.0
177.06953	1.7
178.07756	2.1
179.07040	1.7
179.08530	2.2
181.06500	2.2
190.07709	2.7
191.08528	4.5
192.09326	0.7
193.06473	1.1
194.07259	4.6
195.08054	2.2
202.07733	4.1
203.08571	4.4
205.06482	4.0
206.07294	1.7
207.06500	57.4
208.06810	2.0
208.08679	1.6
209.05986	1.0
209.09605	2.1
215.08531	1.6
218.07329	3.5
219.08049	6.5
220.08781	2.9
221.06073	3.6
221.09604	2.0
222.06735	4.0
223.07523	4.4
230.07217	1.0
231.07993	6.2
232.08804	2.5
233.05931	3.4
233.09660	0.9
234.06740	3.6
235.07501	5.6
236.08293	2.3
237.05344	0.9
237.09073	4.8
238.06187	1.8
238.09819	1.8
239.07040	1.7
246.06750	1.4
247.07529	5.6
248.08377	5.6
249.09152	4.5
250.06218	3.2
250.09966	1.5
251.07008	6.9
252.07776	3.3
253.08545	1.1
259.07434	1.8
260.08331	1.7
261.05508	1.6
261.09128	2.6
262.06271	1.8
262.09784	1.7
263.07037	3.5
263.10309	1.7
264.07870	3.1
265.08585	13.3
266.06747	1.0
266.09344	6.4
267.10071	1.1
274.06219	0.8
276.07736	3.7
277.08585	3.9
278.05750	1.8
278.09280	1.8
279.06534	3.6
279.10150	4.9
280.10757	1.0
281.11713	1.1
282.08755	0.9
283.09604	2.1
289.05219	0.8
289.08643	0.9
291.10156	13.1
292.10513	1.1
293.08026	6.1
294.08838	8.3
295.09592	2.0
295.47742	0.8
305.08072	1.5
307.09573	3.5
308.10400	1.9
309.11209	14.3
310.11435	1.0
319.09668	7.4
322.08200	1.6
323.09079	1.0
323.16144	2.0
327.01456	1.0
337.10672	100.0
338.11206	10.3
341.13672	3.0
345.02954	3.8
351.11194	1.1
369.13211	27.5
369.16852	14.4
370.13455	2.2
391.07477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1333
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01918	2.0
55.05546	0.9
56.59152	0.5
57.03487	0.8
57.07121	0.9
67.05496	2.0
69.03463	0.6
69.07066	3.2
70.54703	0.7
71.08681	0.9
71.18203	0.4
79.05545	1.8
81.03473	0.6
81.07120	1.6
83.05022	0.4
91.05463	2.8
92.08925	0.5
93.07097	0.9
95.05022	1.2
95.08643	0.9
97.06562	0.6
99.08130	0.8
101.94562	0.5
103.05540	1.0
105.03462	1.0
105.07098	1.3
106.04195	0.5
107.05036	1.3
107.08616	0.7
115.05539	0.6
117.07112	0.5
119.05022	1.7
121.02905	0.5
121.06638	0.6
123.08095	0.6
129.07095	0.5
131.04951	2.4
133.10138	0.6
135.11774	0.5
137.06038	0.7
145.06564	1.1
145.10146	0.6
146.07352	0.5
147.04521	2.0
147.11737	0.5
151.11263	1.0
152.06256	0.8
157.06563	0.5
161.06047	0.7
165.06973	2.8
166.07864	1.3
167.08710	1.4
175.04007	1.7
177.07024	1.1
178.07779	4.3
179.08527	2.4
180.05724	0.7
181.06578	1.8
189.07095	2.0
190.07780	2.2
191.08505	4.7
192.05820	0.4
192.09296	0.5
193.06512	0.7
193.10201	0.9
194.07257	5.6
194.08766	0.5
195.06494	0.6
195.08090	1.9
197.07333	0.7
198.07777	0.5
199.07123	0.5
202.07796	5.0
203.08536	4.1
203.10037	0.4
204.09258	0.6
205.06436	3.2
206.07277	1.8
207.06212	2.3
207.08139	4.8
208.08885	1.6
209.06042	0.7
209.09688	2.0
210.06764	0.9
211.07620	0.9
215.08646	1.5
217.06628	0.7
218.07199	3.5
219.08044	7.3
219.10190	0.4
220.05287	0.7
220.08745	3.7
221.06004	2.7
221.09550	2.1
222.06767	5.4
222.10156	0.5
223.07544	3.2
224.08360	1.1
230.07364	1.2
231.08015	6.4
232.08821	2.8
233.05965	2.8
233.09625	1.5
234.06747	2.7
234.10371	0.5
235.07518	7.4
236.08324	3.3
237.05464	0.9
237.09045	5.0
238.06328	2.0
238.09837	1.2
239.06981	1.1
239.10741	0.5
245.05968	0.6
245.09636	0.9
246.06810	1.2
247.07553	6.8
248.08293	6.7
248.10632	0.7
249.05582	1.4
249.09088	5.0
250.06218	3.7
250.09924	1.3
251.07024	4.9
251.10690	1.4
252.07831	3.1
253.08502	0.9
258.06833	1.0
259.07553	1.7
260.08347	1.3
261.05609	0.9
261.09131	2.8
262.06445	1.2
262.09909	2.3
263.07089	3.3
263.10306	2.2
264.07782	2.7
265.08578	13.0
266.06052	0.9
266.09369	4.3
267.06583	1.0
267.10172	0.7
273.09210	0.6
275.07050	1.7
276.07870	3.4
277.08557	3.6
277.21677	1.9
278.05823	1.4
278.09390	3.1
279.06598	3.4
279.10184	4.4
280.07263	1.5
280.10822	1.2
281.11533	1.1
282.08829	0.9
290.09363	0.7
291.06848	0.9
291.10120	12.9
292.07513	0.8
292.10535	1.0
293.08066	6.0
293.11154	0.7
294.08871	5.5
295.09705	3.0
305.08188	1.2
306.08951	0.5
307.09586	3.9
308.10489	2.5
309.11166	11.5
310.11765	0.9
311.09088	1.4
319.09653	7.7
320.10306	0.6
322.08194	2.1
323.09048	1.5
325.10760	1.2
337.10672	100.0
338.11218	10.4
351.25360	0.8
354.10913	1.2
369.08896	1.6
369.13272	23.9
370.09070	0.9
370.13522	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	369.1331
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
54.76222	0.5
55.01862	1.2
55.05507	0.7
67.05495	1.7
69.03426	0.7
69.07063	3.2
70.07381	1.0
70.50598	1.0
76.59188	0.5
78.09938	0.5
79.05489	2.3
81.03397	0.7
81.07040	2.6
91.05480	3.4
93.07021	2.1
95.04955	2.6
95.08597	1.9
97.61400	0.5
103.05453	1.1
105.03348	0.8
105.07020	2.4
107.04931	1.2
107.08591	2.2
109.06535	1.0
109.10142	1.2
115.05460	1.0
117.07014	1.0
119.04938	1.6
119.08583	1.3
121.06532	0.8
121.10148	1.3
128.06168	0.6
129.00931	0.5
129.06999	0.8
131.04909	2.3
131.08583	1.2
133.06490	0.6
133.10132	1.3
135.08084	0.6
143.08554	0.8
145.06483	0.8
145.10078	0.9
147.04416	2.0
147.11668	1.0
155.04924	0.9
157.06433	0.6
157.10147	1.0
159.11694	0.9
165.07004	2.5
166.07761	1.3
167.08539	1.8
169.06549	0.7
175.03899	2.1
175.07738	0.7
176.06259	0.6
177.05455	0.6
178.07726	3.0
179.08597	2.6
181.06491	2.1
181.10036	1.0
189.06963	1.9
190.07771	2.6
191.08533	3.4
192.05817	0.6
192.09326	1.1
193.06487	1.2
194.07288	5.0
195.08008	1.2
197.13171	0.6
202.07716	4.7
203.08517	3.6
204.09233	0.9
205.04865	1.1
205.06485	4.6
206.07266	2.9
207.06328	2.9
207.08153	4.7
208.08778	1.1
209.05963	0.9
209.09525	2.2
210.06723	0.9
211.07417	0.8
215.08560	1.6
217.06441	1.1
218.07239	4.0
219.08035	7.2
220.05223	0.9
220.08856	3.3
221.05984	2.7
221.09613	2.1
222.06726	4.4
222.10109	0.6
223.07666	3.2
224.08263	0.8
230.07320	1.2
231.08023	5.2
232.08746	2.0
233.05936	2.2
233.09584	1.7
234.06686	4.6
234.87811	0.6
235.07526	7.7
235.11143	0.9
236.08302	2.9
237.05521	1.0
237.09042	5.5
238.06128	1.6
238.09886	1.1
245.05998	0.7
245.09671	1.1
246.06734	2.0
247.07549	6.1
248.08292	7.2
249.05406	0.7
249.09126	4.2
250.06230	4.4
250.09601	1.4
251.06972	6.0
251.10631	1.5
252.07861	2.9
253.08601	1.0
259.07617	1.5
260.08380	1.4
261.05386	1.2
261.09076	2.9
262.06165	1.6
262.09888	1.7
263.07095	3.3
263.10565	2.6
264.07779	2.6
265.05753	0.7
265.08578	13.5
266.05811	1.5
266.09268	4.0
275.07169	1.1
276.07809	3.3
277.08533	2.3
278.05786	1.3
278.09311	2.5
279.06494	3.5
279.10150	4.4
280.07123	1.1
280.10669	1.0
281.11575	1.4
282.08755	1.0
289.05359	0.6
289.08658	0.7
290.09210	1.0
291.06793	0.8
291.10107	13.4
292.10437	0.7
293.08127	5.1
294.08859	4.9
295.09625	2.7
304.07477	0.7
305.08142	1.2
307.09625	3.6
308.10175	2.9
309.11209	11.3
310.11499	1.1
311.09351	0.8
312.93774	0.6
319.09653	6.8
320.10092	0.7
322.08374	2.1
323.09125	2.0
325.10715	1.5
336.10229	0.6
337.10666	100.0
338.11200	9.9
354.11221	0.7
368.24057	0.9
369.08908	1.5
369.13300	25.1
369.27780	1.5
370.08835	1.2
370.13605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.133
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
51.05949	0.5
51.45400	0.4
55.01799	1.1
55.05455	0.6
57.03372	0.6
67.05402	1.8
67.05731	0.6
69.03323	2.2
69.03678	0.9
69.06986	0.8
69.69163	1.8
70.44466	0.5
72.92178	0.6
79.05415	1.0
81.03326	0.9
81.06944	1.8
81.07359	0.6
89.03754	0.5
91.05362	5.8
93.06949	1.3
94.11447	0.5
95.04871	1.0
95.08508	1.1
103.05406	1.1
105.06912	1.1
107.04822	2.4
107.08504	1.1
108.11848	0.5
109.10073	0.6
115.05353	1.2
117.04350	0.5
117.06908	1.3
119.04810	5.8
119.05743	1.1
119.08454	0.9
121.02735	1.7
121.06413	0.8
126.00974	0.7
127.03797	0.8
128.02574	1.1
129.06905	0.6
130.02260	0.6
131.04912	2.8
133.10045	0.5
135.04324	0.5
135.07973	0.6
135.11650	0.5
137.05821	0.6
143.08427	0.6
145.06337	1.8
147.04405	6.1
149.02333	0.7
153.06862	0.7
157.06390	0.9
159.04272	0.5
159.07896	0.6
163.07558	2.6
165.07022	3.5
166.07658	1.5
166.19749	0.5
167.06995	0.8
167.08484	0.9
175.03905	8.2
176.31752	0.5
177.05362	0.6
177.06807	1.1
178.07751	4.5
179.08522	3.1
181.06381	1.9
189.06941	3.0
190.07768	2.6
191.06981	1.1
191.08527	4.2
192.09135	1.0
193.06438	1.2
193.10031	0.7
194.07306	4.7
195.07921	2.4
201.06972	0.7
202.07730	4.5
203.08545	4.0
204.09215	0.8
205.06453	3.5
206.07147	2.0
207.06386	16.6
207.08055	3.3
208.06851	1.1
208.08809	1.3
209.05829	1.4
209.09465	1.7
210.06622	0.8
211.07439	1.8
215.08424	1.3
218.07191	3.0
219.08037	7.4
220.05156	1.1
220.08833	3.5
220.63277	0.6
221.06096	2.7
221.09450	2.3
222.06763	5.5
223.07542	4.6
224.08147	1.2
230.07155	1.8
231.08057	5.2
232.08725	1.7
233.05965	3.1
233.09518	1.7
234.06717	3.8
235.07549	7.4
236.08203	2.5
237.05321	0.8
237.09042	5.0
238.06245	3.2
238.09708	1.6
239.06956	1.2
245.05806	0.6
245.09540	0.6
246.06631	1.6
247.07527	6.3
248.08269	6.6
249.05255	0.6
249.09140	4.6
250.06247	3.5
250.09790	2.1
251.07050	7.9
251.10591	1.2
252.07756	2.8
253.08493	0.9
255.10089	0.9
258.06793	0.8
259.07547	1.2
260.08118	1.2
261.05316	1.1
261.09024	2.2
262.06082	1.0
262.09787	2.3
263.06924	3.8
263.10324	2.9
264.07782	3.2
265.08578	13.8
266.06131	0.7
266.09290	6.9
267.06598	0.9
267.09976	1.4
270.08871	0.7
274.06097	0.6
275.06961	1.3
276.07703	3.2
277.08566	2.8
278.05771	1.2
278.09271	2.6
279.06906	3.3
279.09900	3.8
280.07162	1.4
280.10458	1.2
281.11554	1.2
282.08786	0.6
283.09534	1.8
289.08548	0.6
290.09198	0.8
291.10101	12.8
292.07370	0.6
292.10556	0.8
293.08069	5.5
294.08829	8.6
295.09515	3.1
299.05173	0.8
305.07852	0.6
307.09479	3.0
308.10394	2.6
309.08005	0.4
309.11166	12.8
310.11801	0.7
311.09061	1.5
319.09668	6.5
322.08340	2.4
323.09100	1.9
325.10849	0.8
337.10669	100.0
338.11185	11.7
339.11771	0.6
341.13864	1.8
354.11258	0.6
369.13361	30.4
370.13605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	Curcumin
Peak:m/z	Relative Intensity
55.01867	2.8
56.08986	1.0
59.70109	1.0
65.03954	1.7
67.05514	1.8
69.03423	16.2
71.05007	1.4
71.43377	1.7
78.04718	1.7
79.05503	4.9
81.03403	7.1
84.99124	1.0
85.02909	6.9
89.03922	2.4
89.37424	1.1
91.05479	34.4
93.07009	1.2
95.04958	5.6
97.02898	1.3
99.04464	1.7
102.04678	6.2
103.05466	14.4
105.03384	3.3
105.04537	1.5
105.07034	10.1
107.04945	3.0
108.05747	3.0
109.02864	2.0
110.69716	1.2
115.05453	2.6
117.03392	3.0
117.07011	1.9
118.04166	4.1
119.04935	33.4
121.02855	11.7
121.06505	4.4
122.03661	3.6
122.26083	1.0
123.04433	3.8
127.03898	6.6
130.04129	7.6
131.04912	9.9
133.02870	4.7
133.06502	3.8
134.03627	2.1
135.04407	2.2
135.08046	14.4
136.05188	11.6
137.05983	19.4
145.06488	5.7
146.03647	2.2
147.04393	34.0
148.05197	13.9
149.02414	1.7
149.05988	21.1
151.03912	2.6
151.07538	13.7
155.07005	2.1
157.03961	3.1
161.05959	8.6
162.06744	16.4
163.07568	3.7
164.04718	6.2
164.08339	12.0
165.05498	7.1
167.07043	4.2
173.05995	1.1
175.03903	31.9
175.05389	1.9
175.07549	4.1
176.04594	2.5
177.05460	15.9
179.07010	16.0
179.08426	1.3
183.06500	9.4
187.07585	1.1
191.06984	3.7
192.04205	1.5
192.07777	2.4
193.08656	1.3
195.06602	1.4
205.08705	3.1
207.06514	100.0
208.06862	4.1
218.07259	1.7
219.08069	3.2
225.07478	2.7
231.08025	1.2
234.06598	1.4
235.07628	1.4
247.07581	3.4
248.08505	1.5
249.09167	2.7
261.36880	1.4
264.07785	2.7
277.08627	2.9
279.10168	1.3
286.04773	2.7
287.05490	3.1
288.05661	1.4
289.05945	3.4
291.10046	3.8
292.07159	1.4
293.07947	1.4
295.09503	1.3
307.09677	3.7
309.11154	4.2
319.09491	1.5
332.41748	1.2
336.09872	1.6
337.10678	81.0
338.11047	7.5
339.12375	2.4
351.10779	7.1
353.02859	5.7
369.12988	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	369.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	8.0
56.96561	49.6
67.05480	2.1
69.07076	7.4
70.07820	1.9
71.95248	2.4
79.05474	1.9
81.07008	3.0
83.08633	3.5
87.04490	3.3
88.27287	1.8
91.05489	6.0
97.96830	2.0
110.97562	6.1
115.00687	3.0
117.00059	2.7
119.04938	7.2
121.02860	9.3
121.67548	1.9
123.01260	2.3
128.98630	3.5
145.02888	3.0
147.04442	2.0
151.00719	2.1
151.03935	5.6
153.02187	2.6
155.03825	3.1
161.05991	3.2
171.03297	3.7
173.04916	2.4
175.03966	6.0
179.07124	3.2
185.04826	3.5
189.05574	3.6
199.06499	7.1
203.05881	3.3
207.06543	10.7
213.07976	21.5
214.22554	2.5
217.07434	9.6
225.08034	7.3
226.12941	2.0
229.07449	12.0
231.08966	17.4
239.07050	23.4
239.09592	6.0
241.11124	15.2
243.09108	5.7
247.08586	7.1
251.07047	7.6
251.09604	9.2
253.11061	2.4
255.09128	5.4
257.10620	6.2
259.12082	12.9
260.98947	4.6
267.06451	1.9
269.10587	59.5
270.10901	3.6
273.09921	2.2
279.10156	11.4
287.11661	25.8
292.07306	8.7
293.01447	9.8
307.09650	38.8
308.10077	3.5
309.11041	2.0
315.16364	2.6
322.24680	1.9
325.10645	2.2
333.17358	22.8
339.18320	2.3
351.08609	5.4
351.18356	39.1
351.22318	3.2
352.18643	2.0
369.09595	19.4
369.19534	100.0
370.19797	6.2
374.20020	2.2
387.20505	76.9
388.21039	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	369.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
54.60893	0.5
55.01865	6.6
55.05298	0.6
55.05513	7.2
57.03428	4.4
57.07071	4.3
65.03941	0.6
66.29452	0.5
67.05502	9.8
69.03413	1.3
69.07064	15.9
70.07388	1.5
70.07833	0.6
71.04970	0.9
71.08631	2.5
71.42055	0.6
79.05488	6.6
81.03400	0.7
81.07054	29.7
83.04970	3.1
83.08617	4.2
85.06542	0.8
89.35324	0.6
91.05471	7.9
93.07043	8.3
95.04953	2.5
95.08598	9.0
97.06525	2.0
97.10152	1.0
98.98456	1.8
99.08120	3.0
103.05479	0.7
105.07018	5.8
107.04947	1.0
107.08584	7.0
109.06509	10.9
109.10152	4.3
111.04436	17.9
111.08053	1.4
113.09479	0.5
115.07545	1.6
117.06985	2.1
119.04919	2.5
119.08572	5.4
121.02840	0.7
121.06494	0.9
121.10139	5.2
123.08064	2.7
123.11715	2.2
125.06010	5.5
125.09644	1.3
126.99451	1.0
127.03951	0.6
129.01031	1.4
129.07050	0.8
131.00743	0.7
131.04912	1.0
131.08568	3.1
133.06497	0.7
133.10115	6.4
135.08047	3.5
135.11658	4.2
137.05969	100.0
137.09566	1.5
137.13223	1.7
138.06325	2.4
141.01003	0.7
143.08586	1.8
145.10115	1.8
147.04417	2.4
147.08058	1.5
147.11684	8.1
149.09608	5.4
149.13226	2.1
151.07593	3.1
151.11198	3.4
155.02568	0.8
157.10147	2.1
159.11707	1.3
161.09593	5.7
161.12015	0.5
161.13202	2.9
163.11172	3.3
163.14830	1.4
165.09137	2.4
165.12729	1.3
167.10728	1.2
171.11694	1.9
173.13248	1.1
175.03862	2.9
175.11168	4.7
175.14793	1.3
177.12724	0.8
179.10658	1.9
179.14381	0.9
179.79121	0.5
181.01271	1.1
183.11682	0.5
189.06940	0.7
189.12746	1.6
193.12193	1.4
194.07231	0.6
197.07269	3.8
198.07654	2.1
198.13716	0.6
199.06976	0.9
200.97935	1.6
201.12726	0.6
203.17989	6.7
204.18245	0.9
205.19579	1.1
207.06526	7.1
213.16379	3.2
221.18990	1.4
231.17439	9.3
241.09782	0.6
241.15907	1.5
249.18492	11.8
250.18561	0.7
277.17975	59.5
278.18314	3.8
281.11795	1.4
291.10141	0.8
295.19012	12.2
309.10925	1.3
337.10684	4.3
351.21536	6.4
351.25290	1.2
369.09351	3.4
369.13541	4.5
369.22702	3.6
369.27094	1.2
370.09125	4.5
370.13214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2425
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
52.88071	6.1
55.05514	27.6
57.07068	13.9
60.08153	14.7
65.03934	8.4
67.05492	35.6
69.07067	25.6
69.59849	13.7
69.60239	11.5
79.05489	18.8
81.07041	43.8
83.04971	6.6
83.08629	12.5
87.04459	9.7
91.05463	54.6
93.07043	42.5
95.04971	44.1
95.08600	75.7
97.06506	14.1
98.23476	12.1
105.07022	61.2
107.04958	10.4
107.08577	65.5
109.06560	7.2
109.10149	41.2
111.08078	24.6
115.05399	8.0
117.07024	13.2
119.04893	6.4
119.08569	100.0
120.08896	5.8
121.06513	15.9
121.10147	52.1
123.08072	9.5
123.11701	15.7
128.06247	6.2
129.07031	8.3
131.08545	42.8
133.06543	7.7
133.10120	55.3
135.08073	22.2
135.11676	23.3
137.05966	69.5
137.09596	7.4
142.07759	14.9
143.08542	38.9
144.09329	8.5
145.10085	53.3
147.08072	22.7
147.11664	20.7
149.09622	19.9
155.08545	14.5
156.09323	16.5
157.10120	51.1
158.10899	9.3
159.08092	17.7
159.11659	38.9
161.09683	13.2
161.13286	16.5
163.14803	8.0
166.26711	5.7
167.08530	8.2
168.09349	13.1
169.10123	15.4
170.10925	9.0
171.11635	28.4
173.13249	31.8
175.14822	35.1
177.09062	9.8
179.08585	12.0
180.37766	6.1
181.10124	14.5
182.10965	7.9
183.11671	28.9
185.13292	20.2
187.11055	9.0
187.14821	37.4
193.10051	7.5
195.11784	12.7
197.13234	16.2
199.14833	15.6
201.12889	8.0
205.15900	9.5
205.73875	6.5
207.11687	8.0
207.13596	6.1
209.13263	21.9
210.13914	7.3
211.11177	13.7
211.14685	6.6
213.16374	9.9
221.13145	6.4
225.16257	9.3
229.12187	11.4
233.15401	7.2
239.17934	11.9
252.73796	6.4
265.19345	10.3
295.16891	7.6
306.40466	6.2
324.47495	5.8
351.23102	11.8
351.92563	6.6
368.42407	29.0
369.23914	48.4
369.28040	14.7
369.42886	18.9
370.24515	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01868	16.3
55.05257	4.3
55.05511	70.8
55.13154	2.3
57.03431	18.9
57.07075	12.1
65.03941	2.3
67.05500	81.9
69.03433	7.7
69.07057	33.0
69.37608	5.5
69.37994	6.3
71.04988	5.7
71.08630	54.9
79.05487	46.6
81.03423	9.2
81.07051	100.0
82.05418	2.5
82.07399	2.3
83.04977	16.3
83.08617	47.7
85.06539	6.9
85.10193	15.2
91.05475	56.3
93.07036	58.4
94.99759	2.1
95.04965	20.6
95.08600	49.4
97.06525	16.7
97.10165	9.4
98.23413	5.2
99.08092	41.0
105.07019	41.5
107.04946	7.2
107.08595	31.5
109.06549	7.5
109.10149	24.7
111.08073	20.2
113.09647	18.7
117.07021	6.0
119.04951	6.5
119.08573	30.8
121.10137	26.2
123.08056	5.2
123.11674	15.0
125.09650	7.8
127.11216	2.5
129.06995	6.6
131.08553	7.0
133.10115	23.1
135.08115	2.9
135.11679	19.9
137.09602	3.5
137.13255	4.1
139.11180	8.1
143.08571	4.5
145.10057	11.2
147.04396	6.6
147.11679	43.9
149.09622	8.1
149.13272	16.4
151.11162	32.5
151.12242	2.9
153.12740	4.2
157.10115	5.4
157.89194	2.4
159.11725	9.1
161.13199	11.2
163.11092	11.5
165.12761	41.5
167.14322	4.9
171.11710	8.0
173.11848	3.6
173.13345	2.8
175.03897	11.3
175.11287	4.9
175.14815	9.3
177.12704	5.9
179.14305	15.6
181.12245	2.3
183.13803	2.6
185.13268	4.2
187.13223	2.6
189.11206	4.0
193.12268	3.4
195.13791	4.5
199.14886	2.4
207.06488	17.8
207.13873	3.8
231.21095	7.6
241.19597	7.8
249.22131	6.7
253.18100	2.6
259.20462	13.5
277.21619	89.6
278.21921	4.4
295.22592	11.3
337.10611	3.0
351.25229	22.4
369.13516	3.7
369.18564	2.9
369.26349	44.7
370.26663	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01866	11.9
55.05510	82.5
57.03434	38.1
57.07068	6.4
59.04995	2.6
65.03947	3.8
67.05502	78.3
67.05865	3.8
69.03422	6.0
69.07065	39.4
69.38333	6.6
69.71144	1.8
71.04978	5.7
71.08627	49.2
79.05488	49.9
81.03408	6.3
81.07053	100.0
82.07397	3.8
83.04974	13.4
83.08614	55.4
85.06531	7.8
85.10159	3.2
91.05473	49.0
93.07037	50.9
93.07602	3.4
95.04958	12.7
95.08601	45.6
97.06530	14.4
97.10171	10.3
99.08092	41.6
105.04564	2.8
105.07021	38.4
107.04977	5.1
107.08581	32.5
109.06520	11.1
109.10136	15.5
110.96413	1.7
111.08082	24.3
113.09646	10.4
117.07006	6.9
119.04939	8.5
119.08572	34.6
121.02791	1.7
121.06516	2.7
121.10138	29.6
123.08047	7.0
123.11720	16.8
125.09665	9.3
127.11185	3.2
129.06996	4.3
131.08559	9.9
133.10115	23.6
135.11681	17.2
137.09621	3.5
137.13263	4.0
139.11150	6.9
141.12752	2.4
142.07741	2.0
143.08548	2.7
145.10121	8.2
147.04405	6.6
147.11676	41.5
149.09592	7.3
149.13239	26.5
151.11165	26.1
153.12761	3.2
157.10141	6.3
159.11688	8.5
161.13240	13.2
163.11166	9.6
163.14804	2.4
165.12764	27.8
167.14287	3.2
171.11621	4.3
173.11765	4.2
173.13231	2.4
175.03912	13.0
175.11186	5.4
175.14799	4.8
176.04256	1.7
177.12801	6.0
179.14264	10.7
185.13365	3.6
189.11208	4.8
191.14301	2.6
193.12268	3.5
193.15935	2.3
195.13805	4.9
207.06506	27.5
207.13783	2.9
208.06898	3.0
231.21095	3.2
241.19514	6.8
245.13815	3.0
249.22163	7.0
253.18324	2.2
259.20560	10.0
269.17487	9.6
277.21631	67.5
278.22000	4.2
293.01370	2.7
295.22607	14.3
337.10559	6.6
351.25302	13.9
369.13406	3.8
369.26370	48.1
370.26730	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01866	5.6
55.05510	45.1
57.03430	7.7
57.07069	6.9
65.03928	3.9
67.05501	88.3
69.03414	3.5
69.07061	22.3
71.04986	6.7
71.08633	7.7
76.80522	2.4
79.05488	58.8
81.03407	2.9
81.07050	100.0
82.07391	5.5
83.04969	16.1
83.08624	17.9
85.06532	5.9
87.68555	3.0
91.05482	40.4
93.07040	72.3
94.07397	3.5
95.04963	29.8
95.08598	57.5
96.08942	2.4
97.06542	17.0
97.10169	20.2
99.08060	4.4
105.07024	60.7
107.08585	74.7
109.06513	12.6
109.10143	56.6
111.08115	7.0
117.07005	16.2
119.08573	45.2
121.06527	5.3
121.10133	33.9
123.08073	11.2
123.11701	9.8
125.09607	19.1
128.06181	3.0
129.07028	7.6
131.08569	21.5
133.10129	34.8
135.08060	5.7
135.11682	34.2
137.09586	4.2
139.11200	2.7
142.07724	3.5
143.08580	11.1
144.09290	3.0
145.10123	35.0
147.11673	29.8
149.09624	6.2
149.13261	15.4
151.11166	6.1
155.08528	3.5
157.10109	15.4
158.10947	3.9
159.11678	38.7
160.12430	2.7
161.13246	24.3
163.11203	4.2
163.14870	3.4
164.05481	2.6
165.12735	4.9
169.10143	6.2
170.10777	2.7
171.10359	3.5
171.11620	13.6
173.11900	3.8
173.13214	13.5
175.14804	10.9
177.12675	4.5
179.14323	14.2
183.11696	5.3
185.13272	14.6
187.14847	11.4
189.11212	10.7
189.16454	5.2
197.13266	5.1
199.14806	7.5
201.16394	8.6
203.14357	3.6
203.18146	3.2
211.14879	6.5
213.16396	8.8
215.18044	4.1
217.15878	3.1
225.16490	3.6
227.12772	6.4
227.17918	4.9
229.14244	3.8
241.19489	5.5
245.13889	3.7
253.19550	3.2
255.21190	3.0
259.20508	13.4
277.21640	40.6
333.25775	3.4
341.27969	2.7
351.25189	21.2
369.12296	7.4
369.27890	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86929	2.0
53.03939	3.1
55.01842	4.2
55.05505	22.9
57.02506	2.6
57.03422	3.2
57.07060	3.9
59.04974	2.7
61.15073	2.1
64.00681	2.2
67.05166	3.0
67.05498	37.4
69.03408	4.8
69.07063	21.2
70.67465	3.6
71.04971	9.8
77.03915	3.7
79.05483	42.5
81.07049	100.0
82.07336	2.8
83.04981	17.5
83.08630	6.4
85.06523	4.4
91.04934	4.3
91.05471	45.8
93.06441	4.2
93.07034	76.6
95.04958	28.2
95.08022	4.3
95.08598	67.3
97.06511	9.7
99.04428	8.6
101.14317	2.6
105.07018	79.7
107.08586	43.8
109.06507	9.5
109.10149	25.8
111.08088	3.8
115.59793	2.5
117.06977	14.6
119.08563	56.0
121.06469	6.5
121.10139	34.0
123.08031	5.0
123.11673	8.3
124.92334	2.6
127.01530	2.5
128.06197	5.6
129.06999	11.3
131.08560	28.8
133.10107	36.7
135.08047	11.0
135.11655	13.4
137.09550	12.7
141.06987	3.1
142.07747	5.1
143.08551	16.8
145.10112	34.8
147.08029	6.3
147.11674	32.9
149.09535	4.3
149.13258	13.1
155.08508	10.2
156.09306	5.8
157.10106	19.6
159.11671	30.5
161.09538	8.4
161.13231	13.8
163.11165	5.3
163.14824	3.5
169.10083	10.1
171.11679	17.0
173.13248	15.5
175.11121	6.6
175.14787	9.4
183.11644	11.0
185.13210	11.9
187.14767	11.2
189.16367	6.2
195.11667	5.0
197.13231	8.3
199.14757	11.6
201.12750	4.2
201.16383	5.8
203.14326	4.2
203.17894	3.0
209.13327	5.1
211.14760	6.6
213.12715	2.9
213.16307	5.4
217.15797	8.5
223.14632	3.2
225.16301	6.7
227.14261	4.3
227.17888	5.0
229.19534	3.8
237.16406	2.7
239.17918	4.1
245.18968	3.2
247.14937	2.4
251.17998	3.7
253.19565	4.6
257.19034	3.7
267.21130	4.2
283.20761	3.2
285.46829	2.8
301.21521	2.7
351.26868	9.8
369.10187	2.3
369.27930	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
54.53058	2.4
55.05505	20.0
65.03941	4.4
67.05502	29.7
68.56097	2.7
69.07069	20.3
69.69199	10.9
71.04990	3.8
71.35332	2.5
79.05480	35.6
81.07049	100.0
81.72222	2.7
82.07382	3.7
83.04971	12.6
83.08620	7.9
91.05463	39.6
93.07038	56.4
95.04960	47.2
95.08595	60.7
96.60480	3.4
97.06519	17.8
97.10128	3.5
98.23428	2.9
105.07024	83.1
107.08585	44.3
109.06514	10.8
109.10133	22.9
111.08060	4.3
115.05515	4.0
117.07005	13.9
119.08569	73.3
121.06478	3.6
121.10132	33.5
123.08055	10.9
123.11709	7.4
127.84709	2.8
128.06235	5.8
129.07014	11.5
130.07828	3.5
131.08577	29.1
133.10136	35.5
135.08080	8.3
135.11670	15.7
142.07756	8.1
143.08543	19.2
144.09291	4.9
145.10098	49.5
147.08081	6.2
147.11670	41.0
149.09647	6.6
149.13252	9.5
155.08554	5.8
156.09332	3.6
157.10133	24.2
159.11688	49.9
160.12193	3.7
161.13264	30.9
163.14821	6.3
167.08560	2.4
169.10147	8.1
170.10898	3.0
171.11667	18.7
173.13249	30.5
175.11276	3.1
175.14809	9.0
177.12769	4.0
179.08678	2.8
181.10031	3.2
183.11674	8.0
185.13258	14.3
187.14781	20.3
188.15585	3.3
189.16389	8.5
195.11688	3.3
197.13304	11.1
199.14819	12.9
201.12721	3.0
201.16388	25.9
202.17021	3.4
203.17964	3.3
209.13181	6.0
211.14822	8.7
213.16342	18.9
215.17871	3.6
217.15941	4.6
223.14740	3.2
225.16364	6.7
227.17931	10.1
228.35788	2.9
229.19522	4.0
237.16415	2.8
239.17952	3.7
241.19510	3.9
255.20984	4.4
257.18835	3.3
267.21085	7.3
323.27219	4.4
333.25876	4.7
351.26852	21.7
369.27875	49.9
370.28186	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	369.278
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
53.03939	4.0
55.01866	2.5
55.05509	25.6
57.03432	2.9
57.07085	5.5
64.08278	2.3
65.03934	2.1
66.31756	2.4
67.05502	42.4
69.03426	4.2
69.07066	30.0
70.67582	3.0
71.04966	4.0
72.04521	3.2
79.05491	37.0
81.07049	70.7
81.07501	4.5
83.04964	18.3
83.08612	9.3
91.05476	37.5
93.07037	53.3
95.04958	36.8
95.08600	61.7
97.06523	9.8
97.10160	6.4
101.05992	3.1
105.07020	62.6
106.07455	2.5
106.95013	2.4
107.08583	59.4
109.06513	11.5
109.10139	36.2
111.04454	7.5
111.08078	6.8
111.11730	2.4
113.05940	2.6
117.06999	18.0
119.08571	51.0
119.66552	2.5
121.10144	38.0
123.08084	7.5
123.11732	10.5
125.09616	5.9
127.07637	2.8
128.06183	4.8
129.07016	15.5
130.07748	3.4
131.08562	40.2
133.10120	31.8
135.08052	6.7
135.11697	25.5
137.09599	4.3
137.13266	2.8
139.11205	3.0
141.06920	3.1
142.07777	9.6
143.08574	25.0
144.09262	5.1
145.10112	46.2
147.08031	5.3
147.11681	25.3
149.09608	5.1
149.13246	14.6
151.07550	2.2
151.11156	3.2
155.08543	13.8
156.09338	5.0
157.10112	36.3
159.11703	31.0
161.09607	5.3
161.13252	22.7
162.66035	2.4
163.11157	3.8
163.14844	7.5
165.12680	2.9
167.08522	2.4
167.10692	3.7
168.09383	3.0
169.10124	11.9
170.10536	2.3
171.11690	24.6
173.09598	3.4
173.13249	23.1
175.11194	4.1
175.14841	9.1
177.12776	2.4
182.10960	2.8
183.11745	11.7
185.13240	22.4
187.14796	23.8
188.15321	2.6
189.16513	4.4
195.11752	7.9
197.13219	17.7
199.14793	31.7
200.15230	2.7
201.16388	12.6
202.17923	2.7
203.18013	3.3
205.12073	2.5
207.11826	3.5
209.13319	9.8
211.14836	9.5
213.16283	14.4
215.14304	4.7
215.17818	3.2
217.16054	2.7
223.14819	6.7
225.16368	10.6
227.17981	9.2
229.19534	4.7
233.15431	3.3
237.16418	2.4
239.17920	8.6
241.19504	6.6
243.17444	2.8
251.17926	5.0
253.19521	7.4
255.17421	3.0
255.21121	8.4
265.19531	4.2
267.21140	3.4
269.22638	7.9
277.21790	2.9
279.20740	3.4
281.19122	2.5
309.25723	14.0
323.27036	3.3
333.25809	6.1
339.26611	2.7
351.26831	26.1
369.24344	4.6
369.27866	100.0
370.28180	11.7
372.53311	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46478	2.5
52.61999	2.4
53.03936	3.7
55.01863	4.3
55.05513	21.5
59.04997	3.8
65.03930	3.2
67.05505	34.7
69.07076	28.5
69.26102	15.6
71.04985	7.5
79.05487	39.7
81.07051	100.0
83.04981	20.1
83.08608	5.6
85.06528	3.4
91.05473	34.0
93.07041	71.9
93.07611	5.5
95.04959	45.6
95.08603	64.1
97.06521	11.4
99.04455	9.4
105.07025	74.8
107.08591	50.5
107.09296	1.9
109.06505	11.8
109.10146	29.2
111.08059	5.2
117.07021	13.5
119.08578	51.0
121.06496	4.1
121.10145	27.9
123.08051	8.7
123.11688	6.5
128.06238	5.5
129.07004	8.5
130.07779	5.9
131.08559	31.1
133.10121	28.7
135.08072	13.4
135.11641	14.1
137.09573	12.6
139.11118	3.0
142.07784	2.5
143.08556	21.0
144.09200	2.6
145.10106	35.8
147.08022	6.6
147.11687	32.0
149.09615	6.0
149.13251	9.0
151.11127	3.8
155.08585	6.5
155.10594	3.4
157.10129	20.8
159.11687	34.0
161.09602	4.7
161.13268	13.5
163.14888	4.5
169.10132	9.5
170.10863	3.3
171.11594	13.0
173.09657	3.8
173.13258	19.7
175.11221	3.3
175.14851	6.9
181.10081	4.4
183.11676	8.4
185.13219	14.8
187.14836	10.3
189.16420	7.3
191.14452	3.3
195.11687	5.9
197.13280	9.6
199.14771	12.7
201.16362	4.9
203.14281	4.8
203.17990	4.0
209.13222	4.5
211.14798	6.6
213.16402	5.8
215.14287	3.6
215.17903	4.4
217.15955	5.9
225.16348	5.1
227.17876	6.6
239.17903	4.6
241.19600	4.3
245.18880	3.7
253.19533	3.8
267.20871	3.9
283.20514	2.8
325.24988	3.2
351.26758	15.3
369.27872	37.4
370.28195	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	369.2786
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
52.28757	1.8
53.03933	3.3
55.05504	19.6
57.03420	4.0
57.07060	4.1
59.04995	1.9
60.15813	1.8
61.69262	1.9
65.03934	2.8
67.05159	3.0
67.05495	37.1
69.07063	17.2
70.05807	4.0
71.04986	4.3
75.04462	5.5
79.05482	28.6
81.07048	99.0
82.07339	1.8
83.04964	5.6
83.08611	7.3
85.06559	2.9
91.05466	35.5
91.05998	3.8
93.07034	98.6
95.04961	31.1
95.08594	72.8
97.06523	8.6
97.10152	4.0
98.23448	2.3
103.05453	2.5
105.04487	3.9
105.07018	76.4
106.07304	2.6
107.08582	61.2
109.06487	9.9
109.10136	34.5
111.08089	9.8
113.05971	2.1
117.06985	13.0
119.08572	75.0
121.06503	4.2
121.10124	57.5
123.08057	6.6
123.11686	10.1
129.06961	3.4
130.07823	2.4
131.08551	32.0
133.10110	45.6
135.08025	7.3
135.11685	23.3
137.09642	4.3
137.13223	3.5
142.07767	4.5
143.08545	16.1
144.09308	4.7
145.10104	50.0
146.05417	2.1
147.11664	47.1
149.09593	4.2
149.13239	13.2
155.08582	4.1
156.09364	2.3
157.10097	16.8
158.10867	3.2
159.11679	63.4
160.12338	4.4
161.09634	3.4
161.13235	40.2
163.14810	8.8
169.10101	7.8
171.11674	15.5
173.13246	31.9
174.14040	2.4
175.11136	3.5
175.14824	9.8
177.16399	4.0
179.72672	2.1
183.11728	3.9
185.13210	11.3
187.14786	22.2
189.12805	3.1
189.16376	20.0
191.14052	2.5
195.11652	3.0
196.46327	2.0
197.13182	5.5
199.14789	12.0
201.16354	15.3
203.14418	2.0
205.15839	2.5
207.13828	2.4
209.13277	2.4
211.14842	5.8
213.16367	10.9
215.17960	16.9
219.13725	2.6
221.13338	2.4
221.15283	2.7
225.16487	3.2
227.17902	7.4
228.18771	2.2
229.19421	4.9
239.18030	4.1
241.19537	2.2
247.16910	2.5
253.19482	4.3
255.21049	3.7
257.22687	2.7
259.16858	2.5
267.20889	4.6
269.22726	5.4
273.18402	3.7
287.20026	3.0
295.24203	2.6
299.19958	3.6
311.23834	3.6
323.27328	4.7
333.25790	2.1
351.23093	2.4
351.26660	10.0
369.27853	100.0
370.28293	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	369.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01865	3.2
55.05505	24.6
57.03422	2.2
57.07068	4.9
59.04993	2.2
59.74913	1.8
67.05505	30.9
69.03408	1.9
69.07069	19.5
69.23232	7.9
71.04991	9.9
71.08627	1.4
75.04479	2.7
77.03919	2.1
79.05492	35.1
79.05950	2.1
79.19846	1.3
80.06293	1.3
81.07055	100.0
82.07384	2.2
83.04987	15.2
83.08619	7.1
83.24659	1.5
85.06537	5.3
91.05470	39.8
92.42593	1.5
93.05802	2.6
93.07038	78.9
94.07365	2.0
95.04961	24.9
95.08599	75.7
95.93049	1.4
96.09005	1.8
97.00872	1.5
97.06540	8.6
97.10165	3.1
98.23443	2.9
99.04438	10.9
103.05493	2.2
105.04593	1.8
105.07021	70.9
106.07384	2.7
107.04955	2.7
107.08586	55.9
108.08904	2.1
109.06513	10.7
109.10146	30.2
111.08095	6.5
112.26326	1.9
117.07001	12.4
119.08574	61.7
120.08926	2.4
121.06536	7.1
121.10136	44.2
121.10983	3.0
123.08079	9.1
123.11721	11.1
125.09607	3.5
128.06168	3.4
129.07036	7.3
131.08568	32.9
133.10117	40.6
135.08047	14.0
135.11681	15.3
137.09637	5.2
137.13235	2.8
137.61957	1.6
139.11174	5.2
141.07033	2.7
142.07832	4.0
143.08553	18.7
144.09319	2.9
145.10114	46.2
145.11227	3.0
147.08093	5.0
147.11665	35.7
149.09666	6.9
149.13251	9.6
151.11200	3.7
155.08572	6.3
156.09238	1.5
157.10127	22.1
158.10716	2.1
159.08087	2.0
159.11684	43.5
160.12180	1.8
161.09650	7.3
161.13248	24.2
163.11212	4.6
163.14857	4.4
165.06931	1.8
165.12794	2.5
167.82837	1.8
168.09169	1.9
169.10115	8.5
170.10913	3.1
171.11658	17.0
172.12483	2.2
173.13246	20.4
175.11218	5.6
175.14825	9.5
177.12738	3.8
181.10123	2.2
183.11731	7.2
185.13239	12.4
187.11255	2.2
187.14796	15.8
189.12766	3.1
189.16380	10.0
195.11719	3.4
197.13208	8.9
199.14771	14.2
201.12704	2.1
201.16412	11.4
203.14310	3.8
205.16133	2.0
207.13922	1.8
209.13335	4.3
211.14781	8.3
213.16428	8.7
215.14198	2.9
215.17854	9.2
217.15950	7.3
217.19310	1.6
221.13210	2.0
225.16350	4.5
227.17958	7.5
229.09727	6.5
229.19537	5.8
231.17514	2.0
237.16408	1.8
239.18010	2.5
243.17557	2.0
245.19049	3.5
251.18169	2.3
253.19395	3.6
255.17340	1.9
255.21057	2.3
257.22748	2.1
267.21075	3.7
269.18997	2.5
271.14462	3.3
271.20645	3.7
285.22379	4.8
295.20465	2.3
309.22000	2.1
311.23676	2.1
323.27200	3.0
324.32474	2.4
333.25916	2.8
351.26834	19.5
369.27954	72.6
369.38589	3.2
369.42950	6.7
370.28391	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	369.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17529	1.5
55.05502	15.5
57.03418	1.7
57.07074	8.6
59.89700	1.6
60.08151	2.5
65.03931	2.0
67.05499	28.8
69.03424	2.0
69.07061	14.7
69.33815	5.2
69.34219	3.8
71.08640	14.6
75.04460	2.0
77.03901	2.2
77.87843	1.6
79.05484	17.8
81.07052	58.4
83.04958	2.4
83.08620	3.3
85.06548	1.7
85.10186	10.0
89.06020	5.9
91.05471	28.2
93.07037	62.3
95.04961	100.0
95.08598	50.7
97.06512	6.0
97.10150	3.5
102.63412	1.7
105.04526	4.3
105.07022	40.5
107.08582	36.5
109.06512	17.2
109.10144	25.2
111.04391	1.6
111.08064	6.8
117.07017	7.6
119.08562	32.9
121.06490	23.4
121.10136	30.2
121.11012	3.1
123.08070	4.4
123.11691	8.1
125.09626	3.2
128.06255	2.8
129.06992	4.6
131.08554	14.1
133.08594	3.7
133.10115	24.4
135.08063	7.2
135.11710	13.0
137.09590	2.2
141.07144	1.9
142.07774	2.0
143.08565	9.3
144.09344	2.8
145.06497	2.0
145.10103	27.0
147.08063	2.9
147.11668	24.6
149.09613	4.3
149.13242	10.0
152.06218	2.6
155.08540	3.7
157.10081	9.6
159.08060	1.9
159.11667	31.4
161.09618	5.5
161.13245	17.7
163.11153	2.1
163.14818	6.2
165.09042	10.4
169.10117	2.7
171.11694	7.9
172.12285	1.9
173.09593	3.7
173.13249	14.9
174.67947	1.7
175.11214	5.1
175.14818	5.2
177.16475	2.0
183.11690	3.2
185.13281	6.9
187.14767	12.1
189.16391	8.0
197.13229	3.4
199.14801	6.1
201.16386	9.3
203.17935	4.8
211.14777	4.9
213.16350	6.1
215.17932	6.6
223.14928	2.4
227.12704	18.7
227.17877	3.4
229.15898	3.3
229.19528	2.8
231.17538	2.1
233.03542	3.5
241.19466	2.7
250.13139	1.8
251.04767	3.8
255.21046	2.6
269.22607	2.5
273.18375	1.9
273.22116	2.5
293.22528	3.2
311.23782	2.3
327.07855	20.5
333.25806	2.7
351.26950	11.3
368.42447	3.6
369.27844	60.5
369.34882	3.3
369.42957	10.1
370.28046	5.7
370.40381	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	369.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.8
55.86483	4.5
56.24910	4.2
57.07069	12.7
59.12413	4.7
60.08159	16.7
67.05501	34.8
69.07066	21.6
75.29158	4.6
77.03956	4.2
79.05490	34.5
81.07057	100.0
83.08657	6.6
91.05481	39.4
92.05786	4.2
93.07042	97.3
95.04960	50.3
95.08607	78.6
98.22685	7.4
105.07028	66.4
107.08594	60.8
109.06528	8.9
109.10146	29.1
111.08118	8.8
117.07011	9.4
117.52882	4.4
119.08572	60.8
121.06487	4.6
121.10148	55.5
122.10517	5.0
123.11742	14.3
129.06984	5.5
131.08598	29.2
133.10129	36.5
135.11705	22.5
137.13110	4.3
142.07773	4.5
143.08557	12.0
144.09370	4.1
145.10129	43.7
147.11702	35.1
149.13248	12.3
157.10118	15.9
159.11693	54.8
160.12178	4.2
161.13234	26.7
163.11259	5.0
169.10240	4.2
171.11719	5.8
173.13271	28.0
175.14816	4.9
181.36960	4.7
185.13205	14.0
187.14838	17.5
189.16383	15.6
198.18463	4.6
199.14818	14.6
201.16386	10.3
203.17607	4.8
211.14725	9.7
213.16463	4.0
215.17931	17.6
227.17984	4.9
246.87280	4.7
255.21053	4.3
336.23715	5.0
368.42365	10.6
369.23737	7.5
369.27905	69.5
369.42896	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01866	3.2
55.05513	20.1
56.37489	2.2
57.03421	3.3
57.07067	4.5
60.08162	2.2
60.48155	2.2
65.03927	3.4
65.39698	2.0
67.05504	28.8
69.03404	2.8
69.07059	16.8
70.10453	6.1
71.04984	5.1
71.08620	3.3
77.03905	2.9
79.05483	36.7
81.07047	100.0
82.07384	3.5
83.04968	4.4
83.08621	4.4
85.06531	4.5
91.05466	37.6
93.07040	54.7
93.07612	4.4
95.04960	30.6
95.08599	49.2
97.06531	15.3
105.07017	65.7
106.07365	2.6
107.04972	2.3
107.08578	54.2
109.06518	9.1
109.10136	22.8
111.08099	3.8
115.32195	2.3
117.07004	13.5
119.08573	49.0
121.06493	10.9
121.07234	2.0
121.10133	38.4
123.08064	9.0
123.11687	7.0
128.06203	3.0
129.06993	7.5
131.08548	24.8
133.10114	38.7
135.08110	4.3
135.11674	16.4
135.61519	2.1
137.09592	2.1
137.13243	2.6
141.06989	2.6
142.07787	4.8
143.08586	14.0
144.09314	3.0
145.10100	32.5
147.08095	3.4
147.11650	29.1
149.09586	2.9
149.13266	9.9
151.11166	4.8
155.08582	6.8
157.10129	19.1
159.11687	34.9
160.12447	2.0
161.09589	2.8
161.13251	22.8
163.14771	4.5
165.07022	3.7
165.09160	3.8
166.07736	3.3
169.10097	7.8
171.11720	14.7
173.13232	19.4
175.11194	3.3
175.14812	6.8
177.12639	2.9
179.08430	2.2
182.11018	2.5
183.11700	6.6
184.12332	2.2
185.13246	11.0
187.11113	2.6
187.14787	11.6
189.12744	3.5
189.16414	3.7
191.14407	2.7
195.11649	4.5
197.13203	10.8
199.14792	12.8
201.16418	8.7
203.14326	2.6
209.13322	2.3
211.14836	8.1
213.16412	10.2
215.14337	3.4
215.17964	5.7
217.15854	3.4
223.14812	3.3
225.16353	4.8
227.12778	7.0
227.17932	4.2
229.19485	7.9
237.16422	4.3
239.17874	5.6
241.19377	2.1
251.18073	3.4
253.19443	7.4
255.21187	2.9
257.19070	2.1
258.11609	2.1
265.19443	2.3
267.21008	10.0
269.22711	6.0
279.07574	2.0
293.22693	5.2
295.24280	2.5
311.23621	13.4
323.27032	2.2
333.25861	4.7
341.28458	2.6
351.26950	8.2
358.56229	2.5
369.12488	9.6
369.27881	65.6
369.42770	3.6
370.12430	2.9
370.28198	8.6
370.40381	8.1
379.64301	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01873	3.6
55.05518	4.5
57.03434	1.0
59.04992	0.9
61.02931	0.9
65.03930	2.9
67.01862	7.7
67.05491	7.9
68.99807	2.4
69.03429	14.3
69.07061	3.7
71.04993	1.8
77.03921	1.1
79.05485	10.0
81.03430	4.0
81.07049	14.3
83.04971	2.6
83.08615	1.2
84.04494	0.9
85.02902	2.5
85.06506	1.0
91.05474	33.4
93.07030	12.2
95.04967	8.7
95.08595	8.8
97.02880	1.4
97.06528	2.5
100.11232	1.0
103.05465	2.6
105.03387	0.9
105.04519	1.3
105.07022	15.1
107.04962	4.2
107.08563	8.8
108.08949	0.7
109.02868	2.1
109.06512	2.4
109.10148	4.9
111.00827	1.4
111.04411	0.9
115.05449	1.1
117.07008	3.5
118.04068	0.9
119.04939	40.0
119.08569	11.5
120.05251	1.9
120.08914	0.8
121.02859	13.6
121.06491	6.8
121.10134	5.9
123.08094	2.4
123.11709	0.9
127.03895	5.1
128.06190	1.2
129.06995	1.2
131.04924	5.7
131.08548	4.6
132.02083	1.7
133.06493	1.6
133.10121	6.5
135.04439	1.5
135.08066	1.0
135.11763	1.9
136.05273	1.3
137.05949	0.9
137.09567	1.7
140.03435	3.5
142.07797	1.0
143.08542	2.9
144.05777	0.9
145.02826	4.9
145.06485	2.4
145.10095	6.8
147.04395	31.5
147.11662	3.9
148.04836	0.9
149.02272	1.4
149.09564	1.4
149.13324	1.7
155.04942	1.4
157.03902	4.1
157.10147	4.3
159.04445	1.2
159.11658	5.5
161.05939	1.4
161.09627	1.5
161.13258	8.8
162.01874	1.7
163.03877	3.7
163.11188	1.2
163.14857	1.1
164.04701	1.4
165.06989	1.0
167.07008	4.1
169.10165	2.0
170.15463	2.3
171.11687	2.6
173.05980	2.3
173.13275	2.6
175.03893	54.8
175.11201	1.0
175.14876	1.3
176.04378	3.5
177.05551	1.3
178.07816	1.5
179.07053	2.7
183.11720	1.4
185.13266	2.7
187.03926	1.9
187.07600	0.9
187.14760	1.8
189.07050	1.2
189.12711	1.0
189.16379	1.4
190.01343	38.6
191.01729	2.0
191.07019	5.7
191.08534	1.4
195.06525	2.2
195.11653	1.1
197.13217	1.5
198.14876	1.9
199.02322	0.8
199.14912	2.6
201.05408	1.8
201.16397	1.4
202.07870	1.5
203.08566	2.5
204.02888	21.1
205.03354	1.1
205.06522	2.1
206.07272	1.8
207.06497	100.0
208.02394	45.2
208.06720	5.0
209.02795	1.8
209.13257	1.1
211.14813	1.5
213.16293	1.9
215.07008	2.6
215.17912	1.0
217.15793	1.0
218.07245	2.1
219.06372	1.3
219.08157	2.3
220.08765	1.6
221.05913	0.9
221.09479	1.7
222.04002	2.5
223.14996	0.8
225.16422	1.9
227.18008	1.4
229.04916	6.4
231.07999	3.3
232.00043	1.9
232.02383	36.6
233.02740	2.5
233.06059	1.9
234.06740	2.9
239.07016	15.6
240.07538	1.2
244.11559	0.8
245.05936	1.4
245.08189	1.1
247.05821	1.7
247.07910	0.9
248.08321	1.7
249.05116	1.3
249.09120	3.4
250.03439	2.7
250.05843	1.0
251.06934	1.9
252.07826	1.3
259.07584	1.7
262.06235	1.3
263.06995	1.8
265.08856	1.6
266.09390	1.2
267.06339	3.7
267.10114	0.8
268.06564	1.0
272.04819	1.2
276.07874	5.6
277.08524	6.3
279.06470	1.7
279.10098	1.1
281.08560	0.9
281.11731	3.5
283.20209	0.9
287.06998	2.7
291.10165	7.6
293.08044	2.1
293.22592	1.2
294.08856	1.8
295.09436	1.4
299.05478	3.0
304.06998	1.4
305.08041	10.5
306.08578	2.5
307.09845	0.9
309.11182	7.5
310.06992	6.1
310.12347	1.1
311.23666	3.3
319.09753	5.9
320.10025	1.0
322.08267	1.5
323.08975	1.0
325.10632	1.1
333.25772	1.3
336.09756	1.0
337.10675	27.6
338.11084	2.6
341.13977	1.0
351.10919	5.0
351.26752	4.4
352.08121	55.5
353.08569	5.5
369.10571	9.6
369.14911	12.5
369.22678	1.6
369.27811	11.3
370.14523	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	370.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90065	0.7
53.03938	2.6
54.04267	0.7
55.01861	1.7
58.99572	1.1
65.03912	1.1
68.05010	0.8
68.58023	0.6
69.05795	0.7
69.47337	2.6
73.02905	5.6
79.05559	0.9
80.05002	2.9
80.25911	0.7
81.03407	3.0
82.03767	0.7
85.01116	3.1
86.00631	2.0
90.04688	0.6
90.96753	8.9
91.05460	1.5
100.02190	3.5
100.07617	0.9
102.03747	2.2
102.04677	1.6
103.05457	11.8
105.07005	2.2
115.05463	1.3
116.98291	1.5
117.06937	1.2
118.04140	10.7
119.04900	1.1
121.02844	3.5
122.03151	1.5
130.04123	7.2
131.04916	16.6
132.05267	0.8
133.06516	0.8
145.06450	1.3
146.02676	1.4
146.03661	1.8
147.04388	1.8
148.05168	5.2
149.02290	1.6
160.97264	1.8
161.05902	1.4
162.01344	0.8
163.02092	0.9
163.07532	0.7
165.03650	0.7
167.03384	5.8
167.07047	1.4
168.03683	3.8
173.05969	3.2
176.04672	15.1
176.06984	0.9
177.01810	1.9
177.99908	2.6
178.02174	0.9
180.01421	1.9
191.07001	100.0
192.07425	3.9
193.03111	1.3
193.08594	2.8
195.02861	26.6
196.03195	18.6
204.02879	1.3
205.01320	7.8
206.01614	8.8
206.08058	0.6
208.09668	4.1
223.02304	5.6
223.04243	3.0
224.02675	5.5
225.05736	1.3
232.09665	0.9
233.00868	1.9
234.01186	1.0
237.03993	0.9
238.04176	1.8
249.05812	2.3
255.05035	1.4
256.05316	1.0
265.03476	3.4
266.03748	3.6
270.07562	2.2
282.08414	3.3
309.32452	0.8
310.07809	8.3
318.03610	1.2
328.02213	1.0
338.07288	2.5
345.02658	0.9
346.02966	3.1
353.11063	1.0
370.09729	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	370.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	1.1
68.99786	9.3
70.06604	0.8
70.08443	1.9
79.01887	2.1
81.07098	0.9
91.05466	3.6
95.04978	0.9
97.31037	0.6
101.81364	0.6
103.05482	1.5
104.05007	0.7
105.03385	5.1
107.01359	1.0
111.19654	0.6
115.05450	4.6
116.04997	1.4
119.04933	1.1
127.36919	0.6
128.04994	1.9
129.00620	0.6
129.03433	2.6
131.04939	1.4
139.05409	0.8
140.04947	3.9
142.06519	7.4
142.07472	0.8
144.04485	1.1
145.06400	0.8
146.06056	0.7
151.30270	0.6
154.06487	8.2
154.07585	0.9
155.04916	0.7
163.03874	1.0
166.06532	0.7
168.04503	2.0
170.06004	14.0
170.07367	0.9
177.00145	0.6
182.06006	9.5
190.04988	2.0
191.03416	0.7
194.06148	0.7
196.03844	0.7
198.05542	2.1
210.05502	5.9
214.05016	4.0
238.04890	5.3
256.05994	7.0
266.04465	50.3
267.04779	2.4
280.11691	0.7
284.05518	100.0
285.05872	3.7
294.11346	0.8
319.10721	0.8
328.09549	0.7
348.58157	0.7
369.43002	3.7
369.46857	0.7
370.10632	23.7
370.40274	2.5
371.10999	1.9
371.16684	2.7
377.49606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.27
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11417	0.4
55.05506	3.4
56.05029	1.2
57.03432	1.6
58.06592	1.7
65.03946	0.5
67.05499	4.4
68.05831	0.5
69.03414	0.9
69.29058	2.4
69.60795	0.4
70.06592	12.0
71.04990	2.9
72.08144	1.3
75.02937	0.6
77.99672	0.4
79.05499	3.8
80.05023	0.8
81.07048	3.6
82.06584	1.1
83.04970	1.0
84.04501	1.2
84.08163	1.1
85.02878	0.6
91.05471	1.4
91.63589	0.4
92.05758	0.5
93.07014	0.8
94.06565	1.0
95.04956	2.0
95.08625	0.5
96.08116	0.6
98.06049	1.2
98.09681	0.7
99.08094	1.5
100.07619	3.2
101.07146	2.6
105.07027	0.8
107.01434	0.5
107.04943	1.2
107.08588	3.4
108.08140	1.1
109.02865	1.0
110.06021	1.6
110.09715	0.5
110.13710	0.5
112.07588	0.5
114.09196	0.7
119.04923	1.5
120.08082	1.2
121.10157	0.7
122.09664	28.5
123.09950	0.6
124.07600	1.4
124.11230	0.8
125.09624	7.5
126.05589	0.5
126.09158	1.8
128.07057	2.5
130.08633	8.2
131.04892	1.0
133.02864	0.6
133.10138	0.4
136.11180	1.0
137.06004	0.5
138.09091	0.7
140.10681	0.7
142.08667	0.6
147.04395	3.6
148.04727	0.6
151.03917	6.3
151.05074	0.8
152.04214	3.8
152.10701	6.1
154.05019	2.3
165.01819	0.6
168.10210	1.3
176.04323	1.1
176.14337	1.1
182.11763	43.3
183.12126	1.4
194.11736	1.0
194.15393	17.0
196.17087	1.3
207.02940	0.8
207.06490	0.9
208.06845	1.5
208.13326	0.8
224.16446	5.7
230.99191	0.8
232.02380	1.0
235.02405	0.8
236.16516	2.1
240.19545	1.3
241.19144	1.5
250.03371	1.0
254.17509	100.0
255.17882	5.1
268.04477	1.6
307.06195	0.5
310.24814	1.0
370.15567	1.6
370.26999	12.7
371.07419	0.5
371.16754	1.2
371.27206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	0.6
55.05507	4.9
56.05024	1.3
57.03425	0.7
58.06599	3.2
67.05502	6.4
68.05023	0.7
69.32066	2.6
70.06590	15.9
71.04994	3.3
71.06900	0.6
73.06549	0.6
79.05494	4.8
80.05027	0.8
81.07047	3.9
82.06562	2.0
83.04981	2.2
84.04500	1.2
84.05222	0.5
91.05486	0.7
93.07047	1.1
94.06544	1.8
94.07065	0.6
95.04967	5.6
96.08125	0.6
99.08105	0.5
99.09197	1.3
100.07616	2.2
101.07147	3.6
104.47022	0.7
107.04933	0.5
107.08594	4.7
108.08090	0.6
110.06032	2.0
112.07592	0.6
114.09166	0.6
120.08099	1.3
120.31123	0.4
121.10066	0.7
122.09662	52.0
123.09977	1.7
124.07609	3.1
125.09629	16.5
126.09968	0.6
128.07042	2.9
130.08643	18.4
136.11174	0.9
138.09128	1.6
138.12729	0.6
140.07034	0.6
140.10687	0.8
147.04338	0.6
148.11218	0.4
149.09529	0.5
151.03888	0.5
152.10695	16.6
157.02248	0.5
168.10197	1.4
169.13333	1.4
176.14383	0.5
180.13850	0.6
182.11758	72.4
183.12093	3.1
190.35542	0.5
191.18228	0.5
194.11777	0.6
194.15396	8.0
206.15392	1.3
224.16432	9.6
236.16554	1.3
241.19156	2.9
254.17503	100.0
255.17870	4.7
310.24768	2.3
352.26050	0.6
370.26974	16.3
371.27161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.3
56.05017	1.6
57.03429	1.5
58.06577	2.4
67.05500	7.6
68.05017	0.9
69.03430	0.8
70.06238	0.9
70.06590	13.1
71.04976	2.9
71.43353	0.6
72.08138	1.3
74.01341	0.6
79.05495	5.2
80.05000	1.3
81.03394	0.9
81.07062	3.4
81.95506	0.7
82.06574	1.4
83.04960	2.0
84.04503	0.9
84.08127	0.8
91.05462	2.2
93.07016	1.1
94.06546	0.9
95.04967	4.4
96.08113	1.0
99.09223	0.9
100.07597	4.9
101.07134	3.5
105.07059	0.9
107.04925	1.5
107.08595	5.1
108.08144	0.8
109.02857	1.0
110.06024	2.4
110.09677	0.8
111.04347	0.6
114.09132	1.4
119.04944	1.3
120.05247	0.9
120.08083	1.0
121.10114	0.6
122.09658	44.9
123.10030	1.1
124.07544	3.5
125.09626	17.9
126.09132	1.3
126.09960	0.9
128.07047	1.7
129.42680	0.6
130.07637	0.9
130.08629	17.1
131.04950	1.4
132.05255	0.7
136.11211	0.7
137.05945	2.0
138.09061	0.9
147.04388	2.5
148.04819	0.7
151.03938	1.6
152.10701	14.5
153.11053	0.7
163.03934	0.7
169.13351	1.3
171.04391	0.6
176.04236	1.4
182.11752	66.5
183.12100	3.1
194.15352	3.3
198.08731	0.9
206.15421	1.2
207.02924	1.3
207.06511	2.7
208.06902	2.8
223.06979	0.7
224.16409	8.8
233.00897	0.7
235.02428	2.1
236.16321	0.6
241.19086	1.5
250.03508	0.7
254.17493	100.0
255.17874	4.3
255.20218	0.8
266.07721	3.1
306.07709	0.7
310.24854	2.2
352.05533	1.5
352.25784	1.0
370.14273	1.0
370.26996	17.7
371.16696	1.0
371.27216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48527	5.1
58.67999	5.4
66.60693	4.5
69.51851	25.3
94.93000	15.3
112.89612	44.7
114.89336	47.6
119.39342	5.5
135.13106	4.8
136.94017	16.5
138.05249	7.6
139.91487	45.6
176.01096	7.1
192.99725	8.8
196.87804	68.9
197.10078	18.1
198.87607	8.9
202.92792	10.8
207.01422	65.0
208.97211	7.4
212.85202	100.0
214.84952	35.9
216.92618	6.5
222.98811	59.4
234.83376	10.4
235.05675	12.9
253.69063	5.4
269.99585	8.6
270.96109	57.3
294.36655	5.2
311.16519	8.1
316.03021	4.7
328.83041	13.8
352.75284	8.6
371.00836	8.5
371.07150	19.1
371.20068	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	371.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93451	10.1
57.81443	8.1
68.23653	8.6
69.26833	51.5
70.06590	22.6
70.09566	8.3
81.48810	10.3
84.04461	10.5
84.08111	11.6
91.05757	14.8
97.02853	10.1
98.23553	10.1
101.06024	10.6
111.04435	11.5
117.31995	8.3
126.01090	11.9
129.05443	20.3
239.96809	13.0
371.07315	100.0
384.08505	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	371.1123
Annotation	Dihydroisoderrondiol
Peak:m/z	Relative Intensity
50.95101	0.5
55.05502	2.1
65.03938	5.6
67.01861	1.3
67.05505	1.3
68.99770	1.4
69.07044	0.9
69.95186	2.0
79.05485	1.5
81.07038	1.1
84.93716	0.6
91.05451	2.4
93.03392	4.1
93.07034	0.6
95.04961	11.3
95.08579	1.3
97.06544	0.7
97.25014	0.5
105.03356	1.8
105.07033	1.3
106.45147	0.5
107.04949	1.6
107.08559	0.9
109.06474	1.0
109.10119	0.6
111.04431	4.2
115.05441	1.1
117.07002	1.2
119.04920	2.6
119.08526	1.8
121.02856	10.9
123.04408	0.8
133.02881	0.8
133.06541	0.8
133.10115	0.8
135.04379	1.6
135.08037	0.8
137.02342	8.5
137.03375	1.0
139.03880	3.6
141.06953	2.4
145.06493	1.2
145.82497	0.6
147.04387	9.9
147.07977	1.0
149.02356	0.8
151.02676	1.0
151.03889	19.8
153.05501	1.1
155.04858	0.7
161.02353	2.0
165.06934	0.8
167.03371	0.9
169.06503	4.5
171.04329	1.1
175.07564	1.0
175.53723	0.7
179.03333	1.1
179.04768	1.1
191.07016	0.9
197.05952	6.7
201.05414	1.6
207.04413	2.0
224.04520	0.7
225.05350	3.0
235.03795	1.0
239.06955	4.1
241.08565	3.7
253.04922	5.0
254.05486	0.7
255.06459	1.6
263.05411	1.6
267.06464	13.8
268.06808	1.1
271.05957	3.2
279.06400	0.9
281.04407	100.0
282.04773	3.8
283.05945	2.1
292.07141	1.2
293.08023	11.0
294.05441	0.7
294.08231	1.0
297.07693	0.7
297.11029	1.0
299.05429	1.1
307.09586	1.6
309.11160	15.5
310.11337	1.4
311.05698	0.8
325.10446	1.8
327.08475	1.4
327.12198	3.0
335.09164	2.7
353.10126	3.0
371.11169	35.4
372.11270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.2
56.05038	1.8
67.05498	2.5
68.64292	1.6
68.99790	3.2
69.37559	9.1
70.02975	2.0
70.06593	3.8
79.05505	3.5
80.05019	2.9
81.07064	3.0
83.07365	7.6
84.04520	3.4
84.08144	2.0
85.02898	7.3
91.05469	8.7
95.04974	4.1
96.04495	3.2
100.07616	2.7
102.05527	3.2
103.05468	35.8
105.04534	3.0
105.07018	4.9
107.04973	2.5
107.06097	7.5
108.04467	3.5
109.04022	8.1
110.06059	3.3
112.03926	1.9
115.05510	1.8
118.06531	1.9
119.04903	3.0
119.06116	2.2
121.02844	1.8
123.05569	2.0
126.05466	2.6
129.06915	1.8
130.05028	18.2
131.04922	89.2
132.05257	2.6
134.02408	2.7
135.04570	2.3
135.05507	11.7
136.03883	3.4
136.07571	2.7
136.17717	1.6
137.02415	2.7
137.05988	7.2
138.01848	9.3
146.06006	3.5
147.04427	6.2
147.05521	2.7
148.03865	1.9
151.03905	4.1
151.05055	8.5
156.02911	24.2
158.02388	2.2
161.03467	11.8
162.05550	3.5
163.03865	3.0
163.05040	9.3
164.03429	2.4
164.07104	2.7
165.05348	1.8
167.07045	6.3
168.02919	5.5
169.06705	1.7
173.06062	2.8
175.05103	2.2
176.03436	6.1
177.06595	5.9
178.04933	1.9
179.04558	11.3
181.04979	3.2
181.06424	2.0
182.04514	2.4
182.11899	2.3
184.02415	4.1
187.05185	2.1
188.03430	10.5
189.03038	4.8
189.09087	2.3
190.04971	10.0
194.04427	3.6
195.02905	2.9
199.07655	1.9
203.04626	10.7
204.02936	24.9
204.06555	3.9
205.06216	19.2
206.04491	28.1
207.02562	2.4
207.04152	5.1
208.06149	3.6
210.09160	7.4
214.01381	3.9
217.08588	3.1
219.07979	2.2
221.05690	7.8
222.03951	4.9
222.07617	3.0
223.05803	8.2
224.09152	1.7
225.05038	7.2
231.04010	21.2
232.00072	3.3
232.02409	56.6
232.06088	7.4
233.02492	2.0
233.04471	7.2
237.10184	3.1
241.08954	2.3
242.08160	17.8
248.07104	3.6
249.05086	23.0
250.03438	2.9
250.07007	17.9
254.17497	3.9
262.08667	6.1
265.09747	10.0
266.08148	2.5
267.06372	3.4
267.10452	2.8
268.04492	5.5
268.08615	2.7
270.07581	7.5
272.09290	4.4
276.06638	6.5
281.12720	3.3
286.10342	3.3
290.08154	24.9
291.11301	2.1
292.09717	11.1
293.09195	9.8
294.11401	3.8
307.10349	12.1
308.09158	23.2
308.12491	3.2
309.11685	3.7
317.09015	2.6
318.07605	13.2
318.10977	2.7
326.10770	2.1
335.10245	100.0
336.12018	7.8
353.11075	3.4
354.09494	8.5
354.13507	8.8
367.59177	1.7
371.12357	19.8
371.16837	3.9
372.14465	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.131
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97634	1.7
89.06031	1.8
97.15955	0.6
99.10685	0.6
127.00079	0.7
133.08614	1.2
137.02296	1.1
137.06100	0.7
149.70474	0.6
150.97687	0.6
167.06990	0.6
168.37750	0.6
177.90117	0.7
194.92188	0.5
202.03893	0.6
211.69675	0.6
227.05168	1.0
255.06583	1.4
271.03925	1.1
284.06796	1.1
285.13000	3.5
299.09183	3.7
309.13065	0.7
325.10736	1.3
327.08609	3.0
327.14099	27.9
328.14471	1.2
334.51129	0.6
343.11932	1.9
353.10245	1.6
371.13156	100.0
372.13495	7.4
376.29871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
55.01844	0.7
55.05494	0.6
60.05643	1.0
65.03919	0.7
66.48254	0.5
67.05486	0.9
68.99483	0.4
68.99781	3.3
69.07062	0.5
70.06573	1.0
71.41638	0.6
77.03915	1.4
79.05481	1.2
81.07065	3.5
82.46739	0.6
83.08630	0.8
90.04044	0.5
90.57998	0.5
91.05463	4.8
93.07055	3.2
95.01326	3.9
95.04972	2.7
95.08523	0.5
96.04503	0.5
97.06505	0.5
103.05469	30.3
104.05800	0.9
105.04491	0.9
105.07015	2.0
107.87922	0.5
109.06542	3.6
111.05576	1.0
111.08070	2.0
114.77007	0.6
115.05457	0.9
117.07048	0.9
119.03370	0.6
119.04945	1.2
121.02818	1.2
121.06474	3.1
123.05548	1.3
123.08044	0.7
129.05428	0.6
131.04924	100.0
132.05284	2.9
133.06477	1.8
135.08034	0.7
137.02342	3.4
137.05974	2.3
139.07527	1.3
141.06856	0.5
145.06441	0.6
146.06013	1.0
147.04449	1.4
147.57329	0.5
149.05989	6.9
151.00261	0.7
151.07568	1.1
155.03389	0.9
155.04855	0.6
155.06062	0.8
157.01378	0.6
161.05972	1.8
162.05501	1.1
163.03908	4.1
163.07509	0.6
165.01845	9.9
165.05525	1.5
167.07043	2.1
167.08492	0.9
169.01369	0.8
172.03944	1.8
173.05980	5.7
179.03467	1.6
179.06987	3.4
179.08383	0.8
181.04997	1.8
183.02951	1.4
189.05463	2.0
190.04982	21.7
191.03430	3.1
191.07034	2.1
193.01288	0.8
193.04968	1.0
195.08075	1.3
197.04526	0.7
199.07611	0.7
199.09657	0.5
203.08626	0.6
205.06506	1.1
207.06396	6.4
208.06061	1.4
209.09644	1.2
211.09781	0.6
213.05443	0.8
215.04521	3.2
217.04980	0.8
221.08104	0.6
222.08745	0.7
223.07552	1.7
225.07591	3.3
226.07164	0.8
231.08076	1.2
235.05940	1.2
239.09148	1.0
245.08307	0.6
249.07625	3.2
249.09814	1.4
250.08235	2.1
251.07010	4.9
265.12366	0.9
267.08316	3.7
267.11111	4.7
275.10779	0.9
277.08685	3.4
279.06647	1.9
285.09677	0.6
293.11633	4.9
294.11264	10.4
295.11545	0.6
311.12939	2.1
319.10660	2.8
321.11353	1.8
335.77948	0.5
336.13510	1.2
339.12305	0.7
353.16776	3.0
354.14392	2.9
371.17258	24.2
372.17877	1.3
377.57788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	dihydrocurcumin
Peak:m/z	Relative Intensity
50.52166	2.0
53.03926	3.4
55.01860	8.6
61.77305	2.1
62.74517	1.8
65.03930	5.2
67.05496	3.5
69.07057	2.6
71.08615	1.9
71.83355	1.6
77.03959	2.5
78.04675	1.9
79.05486	8.0
81.07023	3.7
89.03921	4.3
91.05466	11.0
93.07039	4.5
94.04183	2.6
95.04959	10.3
95.08633	1.9
97.02886	2.3
97.06532	2.1
103.05459	30.8
105.07036	4.8
106.04147	2.1
107.04947	19.4
111.04422	2.2
115.05458	4.0
117.03357	5.6
117.07026	2.1
119.04939	3.6
120.69153	2.0
121.06490	16.8
122.03673	5.0
123.04411	5.7
128.06230	15.2
129.05496	2.3
129.06998	51.8
131.04945	29.3
133.06522	4.7
134.03668	3.7
135.04414	7.8
137.05971	38.1
145.02835	1.9
145.06508	3.8
146.03578	3.8
146.07204	1.9
147.04378	5.5
148.05145	2.0
149.05972	38.1
149.07155	2.1
151.07536	13.2
155.05983	2.8
155.07114	2.6
157.06465	45.9
158.06888	2.3
159.04420	7.8
161.05965	11.1
163.03940	4.2
163.07539	18.4
165.05464	4.5
167.07024	45.4
171.06541	3.2
173.05995	2.8
174.06732	12.2
175.07500	4.2
177.05467	84.0
178.05869	2.8
181.04951	37.2
181.06439	3.5
185.05908	9.1
185.13374	2.2
187.07478	4.2
189.09105	49.1
190.07735	3.3
191.07028	3.3
199.07472	2.2
203.08589	2.6
215.08516	2.7
217.08614	30.8
218.07271	5.0
219.08046	3.1
232.08862	3.5
233.09613	8.0
235.07430	3.8
237.98051	2.9
246.06812	4.4
247.07484	5.5
251.99600	3.0
260.08221	1.9
261.09061	11.2
262.09769	4.7
263.07199	2.8
264.07648	2.4
274.06421	2.1
277.08569	5.8
278.09348	5.6
279.10068	3.0
289.08493	3.7
291.10214	2.9
293.11633	7.3
305.07770	1.9
306.08926	3.4
307.09595	8.2
311.16516	2.1
321.11063	18.7
321.14325	2.3
322.12064	4.6
339.12357	3.7
353.13736	3.5
371.14844	100.0
372.14993	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	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88089	1.8
53.03954	2.0
55.01860	2.5
60.09482	1.7
65.03942	3.0
67.05522	3.9
68.99783	8.5
69.03448	2.4
70.06595	3.1
70.66518	3.5
71.05000	2.7
72.08136	2.5
77.03949	2.1
79.05495	10.3
81.03407	4.2
81.07066	4.1
83.01340	3.0
84.04498	18.0
84.08165	2.8
90.27189	1.8
91.05474	16.9
93.60696	1.8
94.04198	4.3
95.04977	4.8
100.03976	2.7
100.07603	21.0
101.07943	2.8
103.05468	19.7
105.03419	2.7
105.07045	4.8
107.04962	17.1
108.04494	2.5
109.02880	6.5
109.06543	5.8
110.02411	2.5
110.06065	3.5
110.09695	3.7
111.04425	4.4
112.04060	1.6
115.05484	3.8
116.06253	3.9
119.04926	3.4
122.03645	10.5
123.04462	4.5
124.05202	4.2
125.06026	1.8
126.05516	1.9
128.06197	8.7
129.06998	14.0
130.07791	1.9
131.04924	62.1
131.08557	13.7
133.02875	4.1
133.06497	2.8
136.03940	3.6
136.07590	2.0
137.02385	2.9
137.05977	100.0
141.07007	10.2
144.05716	13.3
145.06493	4.8
149.02406	3.0
149.05971	3.5
149.72151	1.8
151.03877	3.5
151.07539	4.5
153.07082	1.7
154.04977	15.5
156.05663	25.6
157.06488	9.5
158.07257	3.2
159.08035	22.4
160.05226	3.7
161.02361	4.2
161.06006	2.1
163.03923	3.1
164.03474	2.8
165.01869	6.9
165.06969	1.9
167.07033	40.2
167.08481	2.2
169.01360	6.5
169.06459	2.6
169.07716	2.8
172.05174	4.1
173.05980	8.7
174.06789	4.6
175.07524	10.2
177.01848	2.8
177.05482	8.0
178.07751	4.2
179.07062	2.1
179.08545	3.3
181.06494	3.4
181.08495	2.1
182.04459	2.4
184.05197	8.4
185.00854	5.0
185.06009	3.4
186.06775	6.8
187.04071	2.3
187.07518	22.7
188.08217	2.7
189.01877	5.3
189.07047	4.9
189.09128	8.8
190.07761	8.0
191.07025	3.1
191.08614	6.1
193.06458	2.4
193.10088	3.5
195.02916	5.7
195.08081	4.8
197.05994	2.3
199.07516	3.8
201.09045	2.3
202.06244	10.0
202.07866	4.5
203.06926	2.7
203.08598	9.3
204.02951	5.4
205.01329	3.8
205.06578	4.4
205.08603	5.3
205.10266	2.6
206.04491	3.7
206.07346	8.3
207.02957	8.4
207.08098	9.0
207.10011	2.3
208.02510	3.6
208.04970	2.0
208.08868	3.7
214.06136	2.0
214.99713	3.3
215.06866	4.0
215.08636	7.6
217.06671	3.5
217.08583	83.2
218.07245	19.5
218.09013	3.5
219.08063	16.0
219.10097	3.4
220.08716	4.5
221.05989	5.5
221.09634	10.9
222.03818	2.3
223.02452	5.9
223.07608	7.8
224.08282	3.1
226.06245	5.6
231.08014	13.4
232.02432	10.5
232.04723	1.8
232.08875	7.5
233.00725	2.3
233.09552	16.4
234.06758	14.2
235.07489	17.8
236.08304	6.0
237.09090	4.6
238.09941	4.9
239.07037	4.4
239.18318	2.7
240.19667	2.3
241.08603	14.4
246.06790	7.2
247.07478	12.4
247.09703	39.4
248.08336	5.2
249.05475	4.2
249.09100	26.0
250.00780	3.2
250.03447	28.3
250.05896	2.5
250.09772	5.2
251.01883	2.2
251.07037	9.6
251.10599	5.7
252.07877	7.0
253.08572	3.6
254.17589	2.6
254.21179	3.6
255.06494	3.0
255.21530	3.1
260.08279	6.7
261.09082	27.1
262.06345	5.7
262.09695	4.8
263.07013	22.2
263.10522	2.5
264.07758	11.2
265.05237	1.9
265.08585	7.5
266.09375	9.4
267.10046	3.7
268.04504	39.9
268.07184	3.5
269.08081	8.7
271.05945	8.7
273.07632	2.9
275.07257	2.6
275.10571	3.1
276.07599	2.4
277.08527	23.4
278.09302	13.2
279.06592	6.2
279.10153	15.7
280.07269	7.0
280.10513	3.0
281.08170	5.4
281.11731	12.9
283.09515	2.7
285.07526	10.9
286.08319	3.6
289.08453	8.5
291.06552	7.0
291.10098	6.1
292.07309	6.1
292.10760	2.7
293.08066	15.4
293.11722	22.3
294.08490	4.0
295.09692	4.2
296.10379	5.5
297.11188	1.9
298.08441	2.3
300.09979	12.3
301.10641	19.0
306.08917	10.0
307.09631	18.4
308.06702	4.3
308.09827	3.2
309.07578	6.2
309.11243	24.2
310.10965	4.5
311.09015	4.0
311.12732	5.7
313.10825	9.2
321.11206	35.1
322.11749	6.1
323.09164	15.6
326.11356	16.1
327.12268	3.5
336.08624	6.5
337.07022	5.2
338.11517	7.9
339.12225	23.6
340.12756	3.2
341.13843	16.2
353.13815	85.2
354.09714	12.1
354.14188	6.6
356.12393	2.1
370.26825	2.3
370.30951	3.0
371.14963	34.9
371.27252	5.5
371.31287	4.4
372.10703	5.1
372.14780	7.0
372.28442	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	371.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01857	6.2
55.05508	7.2
57.03435	3.6
57.07065	2.9
59.04983	1.4
65.03935	4.8
67.05496	14.9
68.99778	4.0
69.03419	11.8
69.07060	7.0
70.80103	1.8
71.04977	3.2
72.08148	3.1
79.05485	21.6
81.03410	100.0
81.07052	23.0
82.02016	1.1
82.03746	1.2
83.04984	7.2
83.08623	2.0
85.02912	1.3
85.06537	5.1
91.05460	26.3
93.07034	13.7
95.04957	26.3
95.08593	9.6
96.64183	1.0
97.06507	3.8
99.04465	1.7
99.08109	3.1
101.02330	1.7
101.05996	1.6
103.05459	3.6
105.03379	2.9
105.04531	1.8
105.07019	20.3
107.04939	9.6
107.08598	9.0
109.02878	6.1
109.06506	30.5
111.04428	3.2
111.08079	1.8
113.06004	1.5
115.05441	4.6
117.07015	12.1
119.04922	6.6
119.08576	16.2
121.02850	16.3
121.06503	10.8
121.10145	4.8
123.04413	3.7
123.08052	4.1
126.21413	1.2
128.06230	9.5
129.06996	17.1
131.04926	5.7
131.08559	19.6
133.06487	4.5
133.10115	4.0
135.04425	2.9
135.08078	6.4
137.02318	13.0
137.03381	1.4
137.05959	2.8
141.06946	13.9
142.07780	15.3
143.08549	22.7
144.09254	1.5
145.06458	12.2
145.10120	13.5
147.04379	8.6
147.08043	12.0
147.11626	1.4
149.05907	1.8
149.09595	6.3
151.03960	1.4
151.07561	1.7
152.06252	2.0
153.06984	8.1
154.07756	4.8
155.06064	1.6
155.08537	22.0
156.09308	8.0
157.06462	4.4
157.10103	25.1
158.07253	1.5
158.10686	1.4
159.08035	11.2
159.11665	5.6
161.06018	1.2
161.09590	3.9
163.07513	2.1
163.11172	1.3
165.06967	13.5
165.09145	2.2
166.07773	7.0
167.08537	16.4
168.09264	6.9
169.06488	3.7
169.10115	14.9
170.07060	1.5
170.10825	1.6
171.08069	9.3
171.11671	8.3
173.06020	1.9
173.09624	8.8
173.13255	5.5
175.07521	4.3
175.11163	2.4
178.07732	5.9
179.08546	16.1
180.09331	6.9
181.06512	4.6
181.10077	17.8
182.07239	2.9
182.10808	3.7
183.06644	1.4
183.08046	7.2
183.11681	18.3
184.08839	1.3
185.09589	8.6
185.13211	5.6
187.07532	2.2
187.11168	5.3
189.07002	1.3
189.09111	1.4
189.12688	1.7
190.07848	2.7
191.07077	2.8
191.08580	5.4
192.09309	6.3
193.08517	2.7
193.10143	12.9
194.10843	4.9
195.08080	6.0
195.11659	15.1
196.08807	3.5
196.12352	1.7
197.09622	7.4
197.13283	5.7
199.07474	2.7
199.11104	11.1
201.09103	3.3
201.12721	9.6
202.07864	2.6
203.08565	5.6
203.10703	3.3
204.09349	2.6
205.10112	8.2
206.10904	5.5
207.11670	10.6
208.08774	2.4
208.12366	3.1
209.09628	9.6
209.13248	8.2
211.11137	9.7
212.12083	1.2
213.09032	2.0
213.12735	3.6
215.10667	3.3
215.14284	1.8
216.09320	2.0
217.10315	8.1
217.12120	2.4
218.10878	2.5
219.08102	1.6
219.11646	5.3
220.12604	1.5
221.09680	3.9
221.13173	7.6
222.10355	1.9
222.13988	2.5
223.11229	7.2
223.14809	3.1
224.11868	1.6
225.09256	1.5
225.12720	6.8
227.10660	2.0
227.14316	2.1
229.12189	12.8
231.11684	2.7
232.12444	6.4
233.09506	1.8
233.13193	1.9
235.11243	3.9
235.14822	3.2
237.09135	1.7
237.12637	8.2
237.16393	4.5
239.14334	4.1
241.12268	2.5
243.13866	1.2
245.09549	2.0
245.13161	1.4
247.14986	8.9
249.12724	5.1
250.13487	2.0
251.09177	3.6
251.14288	2.9
253.12323	2.4
253.15559	1.5
255.06706	2.2
255.13812	6.3
255.17403	2.4
263.14310	4.2
265.15875	17.0
266.16281	1.9
267.13684	2.9
269.10098	9.7
269.15308	1.7
271.05966	1.6
275.14267	3.9
281.15375	4.0
283.06052	2.7
283.09293	1.4
283.16971	10.1
285.07593	2.2
285.14920	1.6
289.14285	8.4
293.08197	2.5
293.15262	13.7
294.15659	1.4
295.09479	1.8
309.11169	3.4
311.12967	1.6
311.16370	43.9
312.16788	2.7
325.10657	4.4
325.17929	3.7
327.08701	1.8
327.12344	2.3
329.17468	6.8
339.12241	3.1
353.17526	2.6
371.11356	26.2
371.18484	72.4
372.11420	1.7
372.18729	4.9
372.25043	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.05515	1.0
57.07090	1.3
60.80761	1.0
63.07169	1.2
65.03922	1.1
67.05501	5.5
69.03431	2.1
69.98933	1.0
79.05479	4.3
81.03407	2.1
81.07052	2.5
89.05363	1.0
91.05469	6.0
93.07040	3.9
95.04956	3.9
95.08606	2.5
97.02872	5.6
103.05418	1.4
105.07047	5.5
107.04927	2.9
107.08591	2.0
117.06990	2.3
119.08602	7.6
121.06493	2.1
123.08047	1.1
125.02353	3.2
127.03880	3.4
128.06219	3.0
129.06985	6.3
131.04906	1.9
131.08549	3.4
133.10150	4.2
137.05956	1.9
141.06976	3.9
142.07793	6.7
143.03394	2.6
143.08551	8.1
144.09314	1.6
145.10086	9.8
149.05971	1.6
153.07022	3.3
154.07838	1.2
155.08551	13.9
156.09328	13.1
157.06491	2.4
157.10147	19.9
158.10921	2.9
159.08101	1.8
159.11703	5.5
165.06992	3.1
166.07759	1.6
167.07010	3.1
167.08540	5.9
168.09341	12.6
169.10112	11.5
170.10902	16.8
171.08038	1.6
171.11688	24.7
172.12392	2.3
173.09711	1.5
173.13297	2.5
177.05443	3.8
178.07733	1.9
179.08571	3.9
180.09320	3.7
181.04961	1.9
181.10121	8.8
182.10858	5.4
183.11684	100.0
183.95633	1.2
184.12209	5.8
185.13240	13.1
186.13948	2.3
187.14839	7.0
189.09116	2.2
192.09372	4.7
193.10123	7.2
194.10844	2.8
195.08160	1.1
195.11691	9.0
196.12434	3.5
197.09671	1.1
197.13257	21.1
198.14021	64.0
199.14740	8.6
201.08975	1.1
205.10234	1.7
206.10945	2.5
207.08009	1.2
207.11693	9.2
208.08821	1.5
208.12448	3.4
209.09619	2.7
209.13228	4.6
211.11307	1.5
211.14806	4.1
216.15080	2.6
217.08409	1.4
219.11650	5.4
220.12366	2.9
221.09682	1.7
221.13234	4.4
222.10399	1.6
222.13998	3.2
223.11186	6.3
223.14815	3.1
225.12598	1.3
229.15843	3.7
232.12427	2.0
233.13144	1.7
234.13992	4.7
235.11165	2.2
235.14912	1.4
237.12695	2.7
237.16417	4.9
238.17259	2.0
239.17905	2.0
247.14790	4.7
249.16318	2.2
250.13490	2.5
251.10660	2.4
251.14169	1.4
265.15848	13.2
267.17523	1.3
269.11499	1.6
275.14285	2.5
278.12979	2.5
283.16949	3.8
293.15356	4.2
311.16391	52.5
312.16800	4.9
371.14655	3.2
371.18524	8.5
372.24213	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05487	2.3
57.07068	1.3
59.43285	0.8
60.49055	0.8
65.03918	1.0
67.01822	0.8
67.05491	5.2
68.13441	0.7
68.20203	0.9
69.03413	2.1
69.07050	2.9
70.40538	1.6
77.68713	0.8
78.01918	0.8
79.05472	3.9
81.03396	3.0
81.07059	1.3
91.05459	4.9
93.03409	1.0
93.07034	3.4
95.04948	3.2
95.08589	3.1
97.02870	4.6
97.06557	1.2
105.07027	5.5
107.04936	2.7
107.08581	2.0
109.06435	0.9
113.02339	0.9
115.05414	1.0
117.06992	2.6
119.08571	8.4
121.06476	1.0
125.02336	3.6
127.03909	3.0
128.06197	2.3
129.06990	2.9
130.07779	1.3
131.08582	4.4
133.06454	1.0
133.10109	3.0
141.05374	0.8
141.06937	4.3
142.07765	7.8
143.03358	2.7
143.08539	8.7
144.09239	1.3
145.10114	9.4
150.85915	0.7
152.06084	0.9
153.06953	3.1
154.07756	1.5
155.08533	14.7
156.09344	14.3
157.10104	21.3
157.11386	1.1
158.10939	1.4
159.08052	1.9
159.11737	4.2
161.09650	0.9
163.99997	0.8
165.06976	5.3
166.07872	0.7
167.08521	6.6
168.09329	16.2
169.10112	11.8
170.10893	17.0
171.08029	1.7
171.11673	24.1
172.12370	2.6
173.09683	1.7
173.13200	2.8
174.10526	0.9
178.07738	1.2
179.08536	4.6
180.09314	4.6
181.10097	7.9
182.10912	6.7
183.11673	100.0
184.12207	5.9
185.09671	1.4
185.13235	14.7
186.13826	2.1
187.11195	1.2
187.14799	7.8
188.15146	0.9
192.09274	4.0
193.10048	6.5
194.10855	2.8
195.11676	11.1
196.12401	5.1
197.13234	20.1
198.14012	62.8
199.14671	6.9
201.12683	1.2
205.10121	2.3
206.10849	2.4
207.11668	9.8
208.08855	1.2
208.12434	2.7
209.09563	3.0
209.13161	7.4
210.10208	1.4
210.13896	1.3
211.11125	1.3
211.14777	4.9
216.15036	2.2
217.10077	2.2
219.11627	4.9
220.12384	2.2
221.09595	1.2
221.13179	3.3
222.10503	0.9
222.13977	4.5
223.11188	6.4
223.14604	4.1
224.11775	1.4
224.15456	1.0
229.15820	3.1
232.12387	2.7
233.13213	1.5
234.14000	4.6
235.11090	2.4
237.12679	2.4
237.16316	5.1
239.17894	1.6
247.14807	4.1
249.16371	3.0
250.13527	1.6
251.10654	3.3
251.14183	1.4
255.17587	0.8
265.15851	11.8
266.16260	1.1
267.17413	2.4
269.11752	1.1
275.14246	2.1
278.12952	1.1
282.17288	0.9
283.13773	1.1
283.16925	3.1
293.15265	5.0
311.16360	56.9
312.16846	4.0
329.17480	0.9
371.18494	9.8
372.18549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74922	0.4
60.05652	6.0
61.94974	0.4
70.06588	13.9
71.40849	0.5
72.08143	0.9
83.00940	1.7
97.07642	0.9
101.01980	1.8
108.22279	0.4
112.03563	1.9
112.08692	1.6
116.07088	4.1
118.04632	1.3
127.07114	0.8
130.04643	1.0
130.09760	3.3
137.05661	0.8
137.06824	1.0
138.05241	1.7
142.08209	2.5
144.05005	0.7
152.06665	1.2
153.05057	0.9
153.09840	0.7
154.08232	1.7
155.06624	7.7
156.04974	0.6
157.10849	0.7
158.09232	2.0
160.09286	0.8
168.06200	1.4
169.09337	6.4
169.57178	0.6
170.07784	1.4
171.06157	1.4
171.10905	12.8
172.09294	3.2
172.10907	0.7
173.07707	13.9
174.07939	0.7
175.11909	10.3
179.09033	5.6
180.07451	0.9
186.07132	0.6
187.10390	2.8
189.11966	10.4
190.11980	0.6
195.09827	0.7
196.09270	1.1
197.08749	2.2
197.10220	11.6
198.07242	1.5
200.08835	0.6
206.11453	0.6
215.09877	14.9
216.08279	3.3
216.09985	0.9
221.12489	1.4
222.10849	7.2
222.12852	0.6
224.12431	7.2
233.10802	5.2
234.10849	4.7
239.13490	3.5
240.11914	16.9
241.11996	1.4
248.13434	0.9
249.11937	1.7
251.13506	21.2
252.11613	3.3
252.13947	1.5
258.11887	0.8
266.14566	2.8
267.12900	4.2
268.16208	0.8
269.14569	100.0
270.12695	3.4
270.15298	7.5
276.12988	1.6
277.11459	0.5
293.15610	5.5
294.14069	5.4
311.16736	46.8
312.17502	3.3
329.17499	0.8
335.17770	1.2
336.16199	2.9
347.67224	0.7
353.18918	23.8
354.18747	1.9
371.19968	61.0
372.20221	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	371.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.8
60.05655	6.5
70.06591	12.7
70.27403	0.8
71.04968	0.5
72.08144	0.5
83.00937	1.6
97.07631	1.1
98.97565	2.1
101.01988	1.9
112.03577	2.0
112.08694	1.2
116.07084	4.4
116.98624	0.6
118.04606	1.1
128.05620	0.7
130.04591	1.1
130.09746	1.8
132.06152	0.7
137.05656	1.3
137.06786	1.1
138.05280	1.2
142.08266	2.1
144.05034	0.7
152.06676	1.5
153.05067	0.9
153.09918	0.7
154.08263	1.9
155.06616	8.7
157.10861	0.7
158.07841	0.6
158.09233	2.1
160.09325	1.4
168.06190	0.7
169.09344	7.3
170.07761	1.2
171.06143	1.2
171.10912	12.9
172.09276	4.2
172.10770	1.0
173.07724	14.7
174.07785	1.0
175.11911	10.8
179.07651	0.8
179.09050	2.4
180.07498	1.0
186.07211	1.1
187.10378	3.5
189.11961	9.9
190.12096	0.8
196.09294	1.9
197.08760	2.7
197.10320	7.2
198.07245	1.6
204.09891	0.6
206.11357	0.7
215.09886	14.3
216.08311	3.2
216.10114	1.0
216.98732	0.6
221.12451	1.4
221.63066	0.6
222.10884	7.7
224.12445	7.6
231.10918	0.6
233.10777	4.8
233.12901	0.8
234.10875	5.5
234.99791	0.7
239.13434	4.0
240.11917	17.1
241.12166	1.1
248.13538	0.7
249.11961	1.6
251.13512	22.3
252.11563	3.3
252.14125	0.9
258.99680	0.6
261.03152	0.6
266.14594	2.6
267.12946	3.6
268.16196	0.7
269.14581	100.0
270.12717	3.3
270.14813	7.1
276.13095	1.9
277.01025	0.7
286.23096	0.5
293.15686	5.3
294.13989	4.6
295.12631	0.6
309.33102	0.5
311.16745	43.7
312.16949	2.6
329.02737	1.6
329.17859	0.7
335.17889	1.0
336.16174	2.7
347.04834	0.6
353.14490	0.7
353.18924	20.0
354.19226	2.6
371.19989	51.9
372.20209	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	371.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.2
59.05010	0.2
67.05517	0.2
69.03419	0.6
69.15283	1.2
70.06583	0.6
72.08157	0.3
73.02891	0.2
73.06548	1.3
78.03477	0.3
81.03426	0.5
84.04510	0.3
85.02892	0.7
86.09721	0.6
87.04462	4.4
89.06025	100.0
90.06357	1.2
91.07588	0.5
95.04948	1.2
97.02888	0.4
99.04411	0.3
106.02908	1.2
107.07062	2.5
109.02917	0.2
111.04465	0.4
114.09174	0.3
117.09142	0.3
124.03979	1.1
124.07614	0.3
127.03921	0.4
130.08655	0.6
131.07042	0.8
133.08594	48.3
134.08940	1.0
135.10159	0.3
137.05962	0.4
151.09631	0.3
153.09077	0.3
156.05640	0.2
163.57382	0.2
175.09679	0.4
177.11201	11.3
195.12206	0.2
198.29404	0.2
209.15375	0.5
217.08620	0.3
221.13802	1.0
239.14853	0.6
250.07089	0.5
259.09238	0.2
268.08154	0.8
283.17459	0.8
327.20020	0.8
328.20532	0.2
329.52090	0.2
371.12396	0.2
371.16693	1.0
371.22598	1.7
371.26703	0.5
372.22815	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	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01870	8.6
55.05509	52.1
56.05810	1.4
57.03435	8.1
57.07083	9.4
59.04990	3.3
65.03922	3.0
67.05500	100.0
68.05850	1.5
69.03428	4.0
69.07065	61.2
71.04973	6.8
71.08627	18.7
79.05488	50.3
81.03466	1.3
81.07052	99.8
82.07404	1.4
83.04992	9.2
83.08614	30.8
85.06542	8.5
85.10188	1.3
87.04468	3.2
88.07628	2.3
91.05469	19.9
93.06445	2.7
93.07037	46.9
95.04981	5.5
95.08601	78.5
95.14619	1.2
96.08916	2.3
97.06535	13.1
97.10162	29.3
97.10743	2.1
98.23435	1.4
99.08084	13.3
101.05974	1.4
105.07020	14.9
107.08592	39.3
109.06530	4.3
109.10148	54.8
111.08054	7.1
111.11725	4.4
113.09656	2.8
115.05451	1.6
117.07002	6.1
119.08575	12.8
121.10143	17.5
123.08072	2.6
123.11700	16.7
125.09631	20.5
127.11186	1.4
131.08563	11.4
133.10091	9.8
135.08035	4.6
135.11684	33.3
137.09602	3.5
137.13234	14.6
139.11232	1.3
145.10092	8.8
147.06522	1.3
147.11691	11.7
149.09558	2.3
149.13228	8.0
151.11176	3.1
151.14845	4.0
153.09122	2.7
153.12727	13.0
155.10645	2.0
159.11736	5.8
161.13272	7.4
163.11180	3.9
163.14827	9.9
165.12746	5.3
167.10718	1.5
167.14290	1.2
171.10208	1.9
173.11761	9.1
173.13275	8.7
175.14847	4.7
177.12805	2.8
177.16341	3.5
179.14317	3.5
181.12253	2.6
181.15860	2.2
187.14839	5.7
189.11215	12.0
191.14301	2.0
193.15855	1.7
195.13773	3.0
209.15448	3.5
223.16922	2.7
227.12677	6.0
233.22636	6.6
243.21066	10.9
245.13916	5.2
251.23688	1.4
261.22113	33.3
262.22479	3.1
279.23169	71.7
280.23590	5.4
297.24359	1.5
353.26828	52.3
354.27237	3.6
371.12460	1.9
371.16373	12.7
371.28204	5.1
372.34827	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	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01862	8.7
55.05509	47.3
57.03453	6.3
57.07070	8.5
59.05001	2.8
65.01199	1.4
65.03925	2.5
67.05500	97.6
68.05831	1.7
69.03432	3.1
69.07064	53.1
69.84853	3.4
71.04985	6.3
71.08636	6.5
79.05489	47.6
79.05951	2.8
81.07050	100.0
82.07343	1.8
82.60675	1.4
83.04990	8.1
83.08611	25.8
83.35989	1.3
85.06538	7.7
85.10182	1.9
87.04466	1.8
91.05473	15.1
93.07037	44.1
95.04932	11.1
95.08601	70.9
96.08912	2.4
97.06535	13.8
97.10162	23.5
98.23472	2.5
99.08076	5.0
105.07021	13.0
107.08584	36.5
109.06504	4.0
109.10147	50.1
109.10892	2.8
110.30132	1.2
111.08066	7.4
111.11700	3.6
113.09600	2.1
117.07041	7.6
119.08562	13.9
121.10124	18.9
123.08032	2.8
123.11678	14.8
125.09615	16.1
127.11190	2.3
131.08577	9.0
133.10101	9.9
135.08028	6.2
135.11684	30.6
137.09598	3.5
137.13242	12.1
145.10152	7.3
147.11673	12.6
149.09601	2.6
149.13211	9.1
151.11160	2.6
151.14798	3.7
153.09152	2.5
153.12732	12.4
159.11719	8.0
161.13251	7.5
161.14410	1.5
163.11168	3.3
163.14804	6.3
165.12750	4.6
171.10103	1.6
173.11702	6.7
173.13257	8.4
175.14845	4.0
177.12762	3.3
177.16418	2.3
179.14320	3.6
181.12305	2.3
187.13268	1.7
187.14836	4.1
189.11177	9.6
189.16312	2.3
191.14368	3.5
199.14824	1.7
201.16449	2.0
203.17900	1.8
209.15346	1.6
213.16344	1.7
223.16982	4.0
227.12747	5.1
233.22522	2.5
243.21150	12.0
245.13792	4.9
261.22131	34.4
279.23169	62.3
280.23465	6.5
283.26358	3.2
288.92288	1.4
353.26810	41.9
354.27432	3.6
371.16284	26.9
371.29086	7.2
372.16666	2.7
372.34528	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	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	27.4
56.05026	5.5
57.03426	8.1
57.07079	6.1
57.98026	3.8
61.76745	4.0
67.05502	56.4
69.07064	35.4
71.08627	86.3
77.00906	7.5
79.05486	30.4
81.07051	74.5
83.04978	8.2
83.08615	21.0
85.06541	6.9
87.04476	7.3
88.07630	18.0
91.05475	18.2
93.07020	29.6
95.04917	5.2
95.08608	54.0
97.10170	15.2
99.08087	100.0
100.02475	7.9
105.06998	27.3
107.08588	26.2
109.10136	30.6
117.07004	7.1
117.09131	5.7
118.03501	4.8
119.08580	17.6
121.10127	22.4
121.37594	4.2
123.11720	15.1
125.09607	4.4
131.08546	11.7
133.10081	7.2
135.11679	20.6
137.13249	5.8
139.11218	5.3
145.10123	14.5
147.11702	49.5
149.13281	9.8
151.14813	6.8
153.12730	10.5
159.11691	6.0
161.13239	8.9
163.11148	7.3
163.14850	23.3
165.12781	24.3
173.11795	9.1
173.13249	10.5
175.14824	4.4
179.14252	5.5
181.15904	8.3
205.32198	4.0
211.55325	4.2
225.64891	3.9
243.21091	17.6
261.22137	30.2
275.64584	4.0
279.23178	59.3
324.32382	11.5
343.16324	12.2
347.99628	4.6
353.26886	40.8
371.16531	8.8
371.28424	8.6
372.34689	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01868	3.4
55.05510	22.1
57.03431	2.4
57.07070	6.6
59.04987	2.9
62.56243	1.9
65.03948	3.8
67.05500	42.6
69.03436	4.7
69.07060	28.4
69.28220	10.8
71.04997	4.4
71.08614	2.8
76.00902	2.2
79.05483	31.1
79.15159	1.8
81.03419	7.3
81.07050	87.6
83.04974	29.0
83.08624	8.7
85.06532	3.9
91.05457	30.0
93.07034	62.9
93.07608	3.7
95.04962	100.0
95.08595	68.3
95.09213	2.7
96.05313	4.4
97.06535	8.9
97.10157	6.7
105.07023	62.0
107.08580	57.5
109.06514	23.8
109.10146	55.7
111.08090	8.6
111.11692	3.3
117.06993	10.2
119.08570	48.6
121.06498	5.3
121.10133	37.3
123.08066	6.7
123.11715	12.4
125.09633	5.7
127.27759	2.2
128.06189	2.9
129.06989	6.8
130.07777	3.3
131.08559	21.3
133.10121	35.3
135.08092	7.3
135.11696	28.4
137.09610	8.3
137.13249	5.2
139.11194	6.2
142.07869	2.7
143.08569	8.8
144.09334	3.3
145.10109	35.3
147.11668	30.0
149.09601	4.2
149.13252	16.2
151.11176	5.0
155.08592	4.4
157.10150	12.3
159.11671	32.8
161.09621	2.9
161.13261	20.0
163.11189	5.6
163.14828	7.1
165.12752	3.8
169.10130	7.0
171.11639	9.8
173.13248	16.4
175.11261	2.6
175.14795	11.7
177.16391	5.3
183.11685	5.2
185.13239	12.3
187.14842	15.9
189.12677	2.3
189.16356	10.0
195.08002	2.7
195.11794	2.2
197.13208	3.0
199.14777	9.2
201.16402	17.4
203.17912	5.3
209.13339	2.7
211.14784	4.5
213.16438	9.5
215.17952	8.8
217.15889	3.1
219.17474	2.5
225.16425	3.0
227.17957	4.5
229.19547	4.6
231.21043	2.3
239.17924	4.5
241.19543	5.1
253.19542	4.0
255.21167	4.3
267.21088	4.3
268.26331	23.7
273.22049	4.4
283.24130	2.8
295.24152	3.6
311.16290	2.8
313.24960	3.0
335.27191	6.4
353.28302	23.1
371.18756	4.9
371.29431	51.4
372.29883	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	371.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82240	3.0
55.05512	27.2
55.47440	3.0
57.07062	7.3
65.03915	6.9
67.05502	41.7
69.03414	4.4
69.07064	28.0
71.04991	5.4
79.05483	45.4
81.06569	4.9
81.07051	94.9
83.04977	23.5
83.08594	8.7
85.06538	4.6
91.05481	32.3
93.07041	70.0
95.04963	100.0
95.08027	5.0
95.08603	78.2
97.06510	12.1
97.10172	7.1
105.04485	3.5
105.07024	58.2
106.64684	3.5
107.04944	3.5
107.08590	69.7
109.06496	31.0
109.10152	45.4
109.70053	3.2
111.08049	10.7
117.07011	13.0
119.08569	52.9
121.06498	6.0
121.09373	4.7
121.10142	41.5
123.08045	10.6
123.11716	17.6
125.09648	6.0
131.08557	26.3
133.10115	46.6
135.08029	12.4
135.11678	28.3
137.09618	5.8
139.11165	6.5
142.07724	3.7
143.08565	12.6
145.10118	40.1
147.11699	31.0
149.09596	6.4
149.13249	19.4
155.08546	5.0
156.09270	3.9
157.10114	14.6
159.11679	34.1
161.13220	17.7
163.11214	7.0
163.14830	8.3
165.12775	6.3
169.10100	8.9
171.11719	11.8
173.13272	21.2
175.11206	3.9
175.14838	18.7
177.12724	4.2
177.16393	4.7
183.11662	6.6
185.13266	9.5
187.14784	16.5
189.16417	7.7
197.13226	4.7
199.14766	9.6
201.16357	15.6
205.15842	4.2
211.14772	4.8
213.16409	11.0
215.17989	4.2
217.01735	3.2
225.16457	3.2
227.17931	5.1
229.19466	6.6
239.17982	4.2
253.19563	4.4
255.21173	4.7
256.00571	3.4
259.20544	5.8
267.21075	6.2
269.22595	6.3
271.20514	3.8
283.24249	3.6
308.22540	3.9
334.44809	3.8
335.27188	6.9
353.28366	32.5
371.29428	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.7
55.05517	20.7
57.07068	7.2
67.05502	37.4
67.77785	2.9
69.03416	4.5
69.07059	20.5
69.70792	7.1
69.71172	5.6
71.04996	3.9
79.05494	33.3
81.07053	78.1
81.07509	6.5
83.04987	26.3
83.08643	6.0
85.06546	4.4
87.04457	22.3
91.05469	28.6
91.89538	3.2
93.05724	3.1
93.07037	66.5
95.04967	100.0
95.08608	80.5
97.06538	6.0
105.07026	56.2
107.08590	58.3
109.06508	21.2
109.10146	56.0
111.08084	8.2
111.52366	3.2
117.07037	6.7
119.08578	42.6
121.06508	5.4
121.10139	40.7
123.08048	8.4
123.11696	16.2
125.09621	4.0
128.50629	3.2
131.08557	18.2
133.10133	33.1
135.08051	8.6
135.11679	30.0
137.09624	8.0
139.11185	6.7
142.07805	4.0
143.08551	16.0
145.10089	27.5
147.11685	34.7
149.09586	6.3
149.13252	13.0
151.11189	8.6
156.09402	3.8
157.10110	9.6
159.11703	25.9
161.13237	25.2
163.11194	6.2
163.14807	6.6
171.11742	9.1
173.13284	14.8
175.14888	16.7
177.16376	7.1
185.13297	5.0
187.14832	12.3
189.16328	7.8
191.14291	5.1
199.14839	10.6
201.16377	11.6
211.14897	4.3
213.16391	4.0
215.18077	4.5
219.17453	3.3
227.17902	7.9
241.19479	5.2
243.21098	3.3
255.21004	5.4
283.24152	7.4
335.27466	6.1
353.28387	32.9
363.75208	3.0
371.29376	59.3
371.33511	5.3
372.30670	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	371.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04580	2.9
55.05505	46.6
57.03434	3.1
57.07071	6.5
59.04988	4.3
62.40040	2.6
65.03922	3.7
67.05163	3.7
67.05500	45.1
69.03419	2.8
69.07066	28.6
70.09318	2.8
70.13145	7.7
71.04984	7.6
74.80949	2.5
76.16882	3.1
79.05486	43.6
81.07053	100.0
83.04978	45.8
83.08620	10.1
85.06528	3.2
91.05470	40.1
93.07037	80.5
95.04960	34.3
95.08598	86.2
97.06525	12.2
97.10179	8.0
99.08073	4.3
105.07019	82.7
106.07335	2.8
107.08586	74.2
108.93970	3.2
109.06515	14.9
109.10149	52.6
111.08084	7.9
111.11723	3.5
113.09652	3.6
117.07012	9.4
119.08572	73.2
121.06499	6.6
121.10136	49.5
123.08073	13.4
123.11742	17.1
125.09640	5.5
127.11211	3.4
129.06981	7.2
131.08534	22.5
133.10115	41.1
134.73979	2.8
135.07994	7.6
135.11688	34.7
137.09622	8.3
137.13255	7.7
139.11168	8.4
141.06970	2.8
142.07794	3.5
143.08577	14.0
145.10123	36.8
147.11668	43.8
149.09602	7.5
149.13235	20.8
151.11177	7.6
155.08600	5.2
156.09323	3.4
157.10059	14.6
158.10707	3.0
159.11691	40.6
161.09659	6.8
161.13231	29.4
163.11166	8.5
163.14810	11.9
165.12758	10.6
169.10100	6.9
171.11670	16.8
173.13235	22.5
175.11113	5.2
175.14737	12.7
177.12758	6.1
177.16345	6.8
179.14368	3.8
183.11626	4.4
184.12456	3.6
185.13257	10.3
187.14784	18.0
189.16357	14.3
191.14224	5.9
197.13213	6.2
199.14778	13.9
201.16342	18.5
203.14259	3.5
203.17915	6.6
205.15829	6.3
211.14792	5.6
213.16368	9.9
215.17908	6.9
216.06912	2.9
217.19473	3.7
225.16341	4.8
227.18010	7.1
229.19524	6.1
231.17451	4.4
238.05345	2.7
239.17938	5.0
241.19511	4.8
243.21024	3.5
255.21046	16.3
257.19000	2.9
267.20920	5.6
271.20493	3.8
273.22122	6.0
279.21158	4.5
313.25125	3.2
335.27301	7.4
353.28378	34.6
354.28751	4.5
371.16324	5.9
371.24969	4.0
371.29453	62.2
372.29901	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	371.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.4
53.03951	3.7
55.05512	41.8
57.07067	6.9
61.10399	2.4
65.03938	3.3
67.05504	42.3
69.03423	4.9
69.07062	20.4
71.04985	4.2
71.55814	2.6
77.03924	3.4
79.05492	39.1
81.07054	100.0
83.04979	39.0
83.08624	9.0
85.06535	5.5
91.05474	40.5
93.07043	69.0
95.04968	32.5
95.08605	69.5
97.06528	8.5
97.10180	5.0
105.04469	2.7
105.07028	59.7
107.08588	67.4
109.06512	11.2
109.10153	40.1
111.08067	8.1
115.05437	2.4
117.07023	11.2
119.08573	55.6
121.06480	5.4
121.10149	38.0
123.08089	9.7
123.11687	15.7
125.09618	6.9
129.06998	7.4
131.08560	22.0
133.10117	39.7
135.08096	4.4
135.11681	27.2
137.09659	4.5
137.13248	4.4
139.11153	7.2
141.07021	2.4
142.07761	2.6
143.08554	13.2
144.09329	3.7
145.10130	38.7
147.11681	35.5
149.09645	4.6
149.13237	19.9
151.11197	7.2
155.08580	3.9
156.09338	3.6
157.10138	12.7
159.11673	35.9
161.09502	3.3
161.13260	18.9
163.11139	5.3
163.14856	8.2
165.12729	7.4
169.10124	4.2
171.11655	18.7
173.13257	23.7
175.14790	14.5
177.12766	3.5
177.16418	4.7
179.14223	3.6
183.11674	8.8
185.13306	14.6
187.14809	20.2
189.16360	9.5
197.13277	5.0
198.14044	3.1
199.14810	10.2
201.16342	14.6
203.18040	4.4
205.15851	7.3
207.17467	3.3
213.16457	6.7
215.17984	11.6
217.15863	3.6
217.19656	3.7
225.16544	2.8
227.17914	7.1
229.19516	6.2
237.16548	3.4
239.17947	3.5
245.18883	3.5
253.19553	4.6
255.21130	16.5
259.20898	3.1
267.21100	4.1
269.22543	2.7
273.22076	7.4
295.24200	8.3
313.25357	5.8
335.27237	5.8
353.28409	24.0
371.29486	61.6
372.29727	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
54.07172	1.1
55.01846	1.5
55.05256	2.1
55.05504	24.6
57.03424	1.4
57.07053	1.9
60.60210	1.0
65.03927	3.5
67.05499	26.2
69.03413	2.1
69.07058	10.3
69.46787	3.3
71.04978	3.8
77.03909	2.5
79.05486	16.2
81.07049	59.9
82.07404	1.1
83.04971	31.4
83.08627	5.0
85.06514	2.9
87.04475	1.2
91.05473	16.1
93.07034	46.8
94.07352	1.8
95.04959	100.0
95.08598	43.8
95.09207	2.2
96.05296	2.3
96.08908	1.2
97.06525	10.2
97.10158	4.2
99.08113	1.7
105.06345	2.1
105.07021	32.5
105.07734	1.6
106.07345	1.0
107.08581	42.0
108.08865	1.0
109.06513	18.5
109.10142	29.5
111.08077	10.8
111.11771	1.3
114.18523	1.0
117.07009	4.7
119.08568	26.9
121.06496	3.3
121.10133	25.4
123.08068	5.7
123.11671	12.2
125.09623	4.2
129.06985	2.4
131.08542	8.6
133.10120	18.9
135.08051	4.0
135.11684	21.6
135.12640	1.7
137.09596	3.4
137.13258	3.1
139.11148	3.5
143.08554	3.4
144.09355	1.2
145.10115	18.8
147.11671	22.7
149.09616	2.3
149.13242	15.8
151.11104	5.5
153.12724	4.1
157.10098	5.4
159.11688	18.4
161.09550	1.2
161.13246	10.7
163.11218	3.1
163.14783	7.4
165.12709	7.7
171.11728	3.9
173.13289	11.1
175.14790	7.8
177.12732	2.3
177.16420	2.4
179.14403	1.3
183.11575	2.2
185.13263	3.3
187.14793	9.1
189.12782	1.6
189.16367	7.2
191.17924	1.5
199.14836	4.0
201.16383	6.7
203.17996	1.9
205.15804	4.9
207.17500	2.0
211.14839	2.3
213.16370	4.7
215.17969	5.4
217.19612	1.6
219.17406	2.2
225.16339	1.9
227.17995	2.0
229.19487	1.5
231.17491	1.4
233.19011	1.2
245.22740	1.9
253.19516	1.8
255.21046	3.6
257.22565	1.5
259.20554	1.7
265.19434	1.1
273.22144	3.1
295.24197	3.1
313.25186	5.0
335.27243	3.9
353.28369	11.2
371.16202	3.8
371.29407	34.4
372.29642	4.0
383.86536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01872	2.0
55.05511	22.9
56.96553	2.1
57.07065	6.7
59.24213	2.0
64.13371	1.7
65.03928	5.9
67.05500	48.1
69.03406	3.0
69.07062	24.3
71.04998	3.7
79.05045	2.6
79.05489	37.1
81.03423	8.2
81.07051	99.1
82.07396	3.2
83.04971	19.7
83.08619	7.5
85.06544	2.0
90.53091	2.2
91.04935	3.8
91.05466	37.9
93.07041	70.4
94.07336	1.8
94.09687	1.7
95.01502	1.7
95.04962	100.0
95.08601	67.0
96.05280	2.6
96.08941	1.7
97.06534	13.3
97.10152	6.2
99.08086	2.6
103.05423	2.2
105.04531	3.3
105.07023	66.6
105.07732	3.2
106.07406	2.4
107.08584	62.0
109.06518	22.5
109.10136	41.0
111.08096	7.3
115.05463	2.5
117.07012	7.9
119.08570	50.5
121.02866	2.9
121.06490	6.1
121.10136	45.4
123.08041	6.1
123.11705	16.4
125.09657	2.5
127.05172	1.9
128.06213	3.0
128.51871	2.1
129.07022	7.0
131.08563	24.5
133.06412	2.4
133.10117	40.3
135.08055	7.9
135.11685	33.5
137.09608	4.2
137.13165	4.2
139.11183	4.3
141.06960	4.5
142.07701	3.4
143.08470	11.6
145.10123	30.7
147.08017	3.2
147.11673	38.4
147.12733	3.6
149.09601	4.1
149.13237	17.3
151.11203	7.8
155.08524	4.6
156.09329	4.9
157.10124	16.9
159.08015	2.5
159.11691	36.4
161.09631	3.1
161.13258	22.3
163.11203	3.0
163.14818	8.4
165.12758	8.8
167.08513	2.5
169.10112	7.9
171.11740	8.6
173.13266	23.7
175.11177	4.2
175.14803	12.7
183.11720	4.8
185.13231	11.8
187.14828	14.6
189.16399	6.5
191.14333	3.7
197.13203	5.8
199.14880	10.0
201.16371	12.6
203.14346	3.7
203.17987	5.4
205.15982	3.1
211.14810	6.9
213.16330	9.5
215.17957	10.0
217.15869	2.4
217.19571	2.7
221.13310	2.4
225.16344	3.0
227.17975	6.6
228.95833	2.4
229.15871	2.6
229.19536	4.9
231.17360	3.5
239.17970	4.3
241.19397	3.4
243.17365	2.6
243.21288	2.7
245.19020	2.2
253.19499	4.8
255.21078	5.5
267.21103	4.7
271.20758	3.0
273.22104	4.0
282.17480	2.6
285.22153	3.8
295.24170	8.2
311.16275	2.8
313.25302	10.3
335.27353	8.6
353.28427	24.9
354.28580	3.1
371.18491	6.6
371.29434	67.3
372.24026	3.6
372.29935	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	371.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
54.55737	2.6
55.05511	30.2
57.07082	5.3
59.05010	3.1
63.93780	2.8
67.05161	4.4
67.05502	58.3
69.07068	25.1
70.06519	8.9
78.42736	2.9
79.05496	42.8
81.07052	100.0
83.04983	29.9
83.08620	8.4
85.06528	3.7
86.54716	2.8
88.16804	2.8
91.05470	42.1
92.86373	2.7
93.07040	88.8
95.04964	83.0
95.08601	74.7
97.06531	10.4
97.10177	7.3
103.18440	2.7
105.07024	78.8
107.08594	67.7
109.06517	24.1
109.10147	51.5
111.08060	9.1
117.07021	9.4
119.08564	56.7
121.06493	4.7
121.10137	51.6
123.08081	4.8
123.11687	20.9
123.49463	3.0
125.09611	3.4
129.06987	5.6
131.08571	28.4
133.10112	35.8
135.08075	5.1
135.11685	28.9
137.09630	6.9
137.13226	5.0
142.07745	5.0
143.08580	10.8
145.10117	44.6
147.11679	41.6
148.12065	3.8
149.09645	4.2
149.13222	19.2
151.11171	9.0
153.12807	4.6
155.08588	6.0
157.10139	15.2
158.10876	3.9
159.11678	34.9
161.09663	2.9
161.13243	29.8
163.11153	8.3
163.14769	14.1
169.10103	5.1
171.11722	17.0
173.13257	30.5
175.14766	14.7
177.12779	4.6
177.16330	3.8
183.11647	6.0
185.13281	12.2
187.11418	3.0
187.14862	15.1
189.16417	9.2
191.14259	7.0
197.13309	5.2
199.14868	12.0
200.32616	3.4
201.16429	26.4
202.16772	3.2
203.17967	5.2
205.15874	7.7
211.14807	4.8
213.16367	9.3
215.14549	3.4
215.17970	12.7
217.19727	3.2
219.17427	5.0
225.16364	3.9
227.17883	7.2
229.19586	5.5
239.17929	3.0
253.19443	4.7
255.21068	9.9
269.22601	3.3
271.20535	3.3
273.22171	4.7
281.30707	3.2
295.24411	7.7
313.25229	11.7
335.27258	11.2
341.28189	4.4
353.28345	34.3
371.29422	71.8
372.30005	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	371.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01865	2.8
55.05506	29.9
57.07069	5.7
60.67515	2.1
67.05161	3.1
67.05502	39.1
69.03420	3.5
69.07063	28.2
70.92754	3.5
71.04991	5.3
77.03904	3.9
79.05489	38.8
81.07052	100.0
83.04977	28.0
83.08616	8.7
85.06534	4.5
91.05466	31.2
93.07037	68.2
94.07358	4.0
95.04960	73.2
95.08600	82.3
96.05248	2.8
97.06521	12.0
97.10153	7.8
105.04504	3.3
105.07020	60.6
107.08585	68.5
109.06511	18.1
109.10149	43.0
111.08078	7.5
111.11731	2.7
113.09612	2.7
115.05392	2.8
117.07008	10.3
119.07747	3.6
119.08567	49.3
121.06422	2.7
121.10134	45.9
123.08102	5.7
123.11713	17.4
125.09640	4.4
129.06955	4.4
130.07803	3.1
130.93298	2.8
131.08560	30.1
133.10115	43.0
135.08046	4.5
135.11685	34.9
137.09612	4.8
137.13271	4.8
139.11143	4.1
141.07024	2.7
141.12717	2.8
142.07745	3.8
143.08533	11.3
145.10118	36.7
147.11673	32.9
149.09573	3.1
149.13255	21.6
151.11209	3.7
153.12769	2.7
155.08583	3.2
157.10098	19.3
159.11684	34.3
161.09610	3.3
161.13257	30.1
163.11166	6.9
163.14813	11.9
165.12711	8.0
169.10085	6.3
171.11626	14.3
173.13245	28.1
175.14822	15.0
176.04745	2.6
177.12704	3.9
177.16373	4.9
181.10100	3.0
183.11690	7.2
185.13202	13.7
187.14784	17.8
189.12694	4.3
189.16383	8.3
191.14278	6.4
191.95996	2.1
195.11580	2.6
197.13242	7.3
199.14771	13.4
201.16379	15.5
202.16942	2.5
203.17924	7.8
205.15913	3.3
211.14836	3.6
213.16389	13.0
214.17090	2.1
215.17928	10.2
218.51033	2.2
223.14783	3.5
225.16301	5.2
227.17949	10.4
229.16014	2.6
229.19508	5.7
231.17377	4.0
237.16217	2.5
239.18040	4.7
241.19585	5.8
243.17522	2.6
253.19533	3.7
255.21082	8.0
267.21082	6.3
269.22711	2.8
271.20670	3.2
273.22104	4.5
279.21115	2.7
281.22531	3.8
285.22217	3.0
295.24194	5.6
313.25253	3.5
327.26691	3.3
335.27240	11.6
341.28195	3.2
343.29633	3.1
353.28345	38.9
371.29425	81.7
372.29929	6.3
379.95313	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	371.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.5
55.05498	29.8
57.07072	6.8
67.05500	32.2
69.07061	16.7
69.43577	10.8
71.04989	3.3
74.55201	2.8
79.05482	37.6
81.07050	100.0
83.04977	18.6
83.08613	5.3
85.06520	5.7
91.05466	43.0
93.07036	54.6
95.04961	64.4
95.08012	4.8
95.08595	63.3
97.06519	8.3
97.10156	4.4
98.23437	4.7
105.07012	72.7
106.07304	3.9
107.08582	54.4
109.06525	14.6
109.10146	39.3
111.04391	4.2
111.08060	5.0
116.58583	2.8
117.07009	9.7
119.08570	49.8
121.06493	4.7
121.10119	33.1
123.08057	6.2
123.11689	13.2
125.09566	4.6
127.01523	3.1
129.07005	8.2
130.07793	3.6
131.08557	24.7
133.10100	39.2
135.08000	3.6
135.11671	16.4
137.09578	5.1
142.07802	4.7
143.08499	16.6
144.09286	5.9
145.10114	39.4
147.11650	35.4
147.27802	3.1
149.13225	16.2
151.11147	4.3
155.08549	4.1
156.09306	3.4
157.10104	20.7
158.10808	3.8
159.11687	38.8
161.13246	21.1
163.11118	6.1
163.14816	9.8
165.12781	3.7
169.10091	9.8
171.11684	16.5
173.13263	24.6
175.11131	4.5
175.14832	13.6
177.16444	3.5
183.11661	7.1
184.77333	2.7
185.13243	8.4
187.14746	21.0
189.16348	12.4
197.13254	10.0
199.14832	13.1
201.16319	20.8
203.17915	9.8
209.13268	5.3
211.14729	9.8
213.16376	11.8
215.17973	14.3
219.17409	2.7
225.16318	3.8
227.17934	9.2
229.19502	4.5
239.17903	6.8
241.19487	3.6
251.17831	4.5
255.21049	6.5
269.22556	8.9
335.27353	9.3
353.28293	32.0
371.29407	51.1
372.29547	6.0
391.50162	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	371.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.2
55.01844	4.9
55.05505	35.3
55.68189	3.3
57.07069	7.1
59.04979	5.2
67.05163	4.5
67.05501	57.6
68.05827	4.3
69.03426	7.2
69.07059	44.6
69.08599	7.3
69.08999	18.6
71.04992	5.7
71.08634	4.8
73.59796	3.2
79.05486	44.0
80.05839	5.1
81.07053	100.0
82.07394	7.6
83.04974	39.3
83.08604	14.1
85.06538	6.3
91.05473	36.0
92.05801	6.7
92.39288	3.4
93.07043	69.1
94.07384	6.4
95.04959	91.1
95.08599	79.2
96.05294	5.6
96.08918	7.7
97.06516	20.2
97.10174	7.0
99.08076	4.1
105.07023	67.7
106.07352	10.2
107.04976	4.1
107.08585	72.9
108.08931	3.8
109.06497	21.1
109.10148	80.8
110.10475	5.0
111.08073	10.5
114.47500	3.3
117.06988	10.7
119.08567	64.0
121.06471	4.8
121.10134	48.8
123.08049	10.9
123.11679	14.6
125.09613	16.5
127.11214	5.2
129.06985	4.3
131.08534	21.7
133.10117	40.0
135.08087	6.6
135.11667	30.0
137.09615	14.9
139.11118	4.1
142.07835	4.1
143.08534	10.3
144.09198	3.3
145.10118	39.3
146.10370	4.4
147.11694	35.2
148.12015	4.6
149.09616	5.7
149.13234	14.0
151.11186	5.9
156.09331	3.6
157.10120	15.3
159.11697	36.2
160.12091	9.2
161.13225	19.5
163.11169	6.4
163.14799	11.8
165.12750	5.6
169.10141	6.4
171.11612	16.8
172.11969	4.1
173.13272	19.3
174.13571	3.3
175.11301	3.9
175.14827	14.9
177.12723	4.8
177.16293	4.2
183.11613	8.2
185.13268	10.4
187.14873	8.7
189.16408	7.1
191.14296	7.3
197.13190	5.5
199.14801	13.0
201.16379	17.9
211.14790	4.9
213.16402	7.3
213.53311	3.9
215.17934	10.2
219.17503	7.7
225.16289	4.7
227.17827	7.4
239.17816	4.7
243.21054	6.0
253.19473	4.3
255.20932	7.7
267.20837	4.6
271.20465	4.1
273.22000	7.0
324.65793	3.4
353.28180	15.8
371.29370	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	371.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.1
55.05510	27.6
56.27477	2.0
57.03427	3.6
57.07080	13.0
59.04996	7.4
65.03949	2.9
67.05505	39.6
69.03421	5.0
69.07065	26.3
71.04993	2.8
75.54878	2.1
79.05484	31.6
81.07057	100.0
82.07407	3.2
83.04980	17.4
83.08619	12.5
85.06550	16.5
87.04468	9.7
91.05476	31.5
93.06450	3.3
93.07044	63.6
93.07608	4.6
95.04408	4.3
95.04970	46.2
95.08604	69.9
97.06523	12.6
97.10155	6.9
99.08099	3.0
105.04485	2.6
105.07027	66.5
107.08595	54.3
109.06522	8.4
109.10159	41.9
111.08069	8.5
113.81767	2.6
115.07590	4.5
117.07009	11.8
119.07745	4.3
119.08582	77.8
121.04439	2.2
121.10143	42.0
123.08094	3.8
123.11694	16.2
125.09654	5.0
129.06982	5.8
131.07635	3.5
131.08556	26.0
133.10126	40.1
135.08110	3.0
135.11699	26.3
137.09615	3.4
137.13219	3.2
139.11214	3.5
142.07823	5.1
143.08562	13.7
143.10509	3.3
144.09262	2.6
145.10103	40.6
147.11685	36.1
149.09677	4.2
149.13248	19.8
151.11194	3.6
155.08537	5.6
156.09366	3.1
157.10088	22.3
159.11696	40.9
161.13240	25.5
163.14839	9.1
168.09315	3.0
169.10106	9.8
170.10812	2.9
171.11702	15.9
173.13248	27.0
175.14819	13.5
175.48654	3.0
177.16391	4.0
181.10197	3.1
181.84555	2.7
183.11697	9.6
185.13281	15.6
187.14771	16.1
189.12856	2.7
189.16409	7.9
197.13298	8.6
198.13959	2.9
199.14810	13.6
201.16319	11.5
203.17957	5.7
205.15640	2.9
209.13324	2.9
211.14809	8.8
213.16328	17.2
215.17976	8.9
217.15866	4.5
219.17349	3.3
223.14822	2.5
225.16351	5.3
227.17862	10.9
229.19533	7.6
239.17970	7.6
241.19537	4.8
243.21132	2.9
245.19266	3.2
253.19499	9.7
255.21132	7.0
257.22629	4.5
267.21045	7.1
269.22592	17.8
270.22925	3.5
271.20612	3.9
273.22168	3.3
279.21039	3.5
281.22592	3.2
285.22162	2.9
295.24271	4.1
297.22266	3.2
301.21637	3.3
313.25027	2.6
335.27237	9.1
341.28363	4.3
353.28360	42.8
353.32440	4.4
354.28839	3.3
371.12100	3.7
371.16373	37.6
371.29446	72.7
372.16696	4.6
372.30347	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	371.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37879	10.2
55.05503	36.9
56.85056	11.9
57.82901	9.6
65.03934	15.6
67.05497	48.3
68.80174	15.0
69.07067	43.5
70.28139	20.2
70.28466	14.8
79.05479	50.7
81.07058	100.0
83.04993	19.2
83.08604	9.5
91.05477	36.9
93.07042	84.8
95.04951	80.6
95.08591	95.6
97.06522	12.1
105.07023	68.9
107.08580	72.4
109.06534	15.6
109.10152	42.7
119.08584	73.6
121.10126	28.7
123.11694	14.8
131.08572	24.7
133.10126	38.0
135.11696	19.0
143.08557	15.0
145.10121	35.0
147.11713	29.4
149.13251	15.8
159.11676	31.5
161.13205	17.4
171.11722	12.7
173.13243	18.9
175.14821	22.0
199.14886	12.0
201.29897	12.0
276.29892	10.3
353.28235	23.9
371.29480	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30460	2.3
55.05262	3.3
55.05507	44.2
57.03426	2.4
57.07067	5.8
59.36572	2.3
60.99963	2.5
62.22578	2.3
65.03926	2.4
66.00637	2.4
67.05499	32.0
69.07058	17.2
70.16539	7.4
71.04967	9.7
72.04494	9.1
73.04742	3.1
79.05492	27.7
81.07050	100.0
83.04973	76.8
83.08615	5.5
85.06529	4.3
87.04442	7.9
88.02213	11.7
91.05441	29.1
93.07038	87.4
95.04970	19.9
95.08601	75.6
97.06525	16.7
97.10111	5.3
99.08103	3.1
105.07024	57.3
107.08587	81.1
109.06521	19.9
109.10156	45.7
109.60378	2.4
111.08062	14.5
117.06961	6.5
119.08567	46.3
121.06485	3.3
121.10132	44.8
123.08062	13.0
123.11695	26.0
125.09621	9.6
129.06955	3.9
131.08553	18.3
133.10124	39.0
135.08018	6.0
135.11687	36.0
137.09584	4.2
137.13257	6.8
139.11157	9.3
142.07738	2.7
143.08501	5.3
145.10118	32.2
147.11682	37.4
149.09506	6.3
149.13239	23.3
151.11159	9.9
153.12749	9.8
157.10091	11.6
159.11691	28.6
161.13251	20.4
163.11192	4.1
163.14775	12.4
165.12712	14.9
171.11661	9.8
173.13257	21.6
175.14813	11.4
177.16364	7.4
183.11542	3.8
185.13191	5.5
187.14813	10.6
189.16364	14.4
191.14232	5.2
199.14809	8.8
201.16388	15.8
203.17860	3.3
205.15843	9.7
207.17432	3.2
211.14821	4.0
213.16371	8.2
215.17931	14.9
219.17442	6.1
227.18028	4.9
229.16057	2.6
229.19441	5.1
231.17343	3.0
239.17972	3.1
241.19437	3.2
246.30240	2.9
255.21019	8.8
257.22534	3.6
273.22095	4.0
285.00970	3.9
295.24161	7.7
313.25150	6.2
327.34976	3.1
335.27255	9.2
353.28363	21.2
371.16449	15.2
371.25034	3.5
371.29459	61.2
372.29855	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	371.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01871	5.0
55.05509	23.2
57.03439	9.0
57.07067	4.4
65.03927	1.7
67.05157	2.7
67.05501	28.4
69.03428	9.3
69.07057	24.3
71.04984	3.8
73.62368	1.5
74.03259	1.3
77.03912	1.6
79.05490	40.1
80.05888	1.2
81.07053	100.0
82.92248	1.3
83.04983	6.4
83.08627	9.1
85.06516	6.9
91.05475	24.7
93.03408	2.5
93.07041	73.5
95.04958	16.1
95.08602	68.3
95.09220	2.7
96.05344	1.3
96.08916	1.6
97.06530	69.8
97.10172	10.7
98.06910	1.5
99.08081	4.6
101.06016	5.8
103.05452	1.3
105.04519	3.4
105.07022	51.8
106.07343	1.6
107.04951	1.9
107.08588	79.3
109.06520	10.6
109.10149	48.2
111.08051	5.7
111.11697	1.7
113.09660	8.5
117.07012	5.8
119.08573	42.4
121.06484	1.8
121.10141	50.4
123.08086	6.6
123.11693	13.7
125.09628	22.0
129.06976	2.1
131.08546	11.4
133.10123	31.5
135.08046	21.0
135.11690	26.7
136.08331	1.8
137.13199	2.1
139.11165	3.1
142.07658	1.6
143.08545	4.7
145.10123	19.8
147.11687	35.4
149.09621	2.7
149.13249	73.2
150.13602	2.8
151.11211	9.8
151.19548	1.4
153.09100	5.8
157.10144	9.8
159.11685	19.1
161.13245	18.3
163.11136	6.5
163.14816	22.5
165.12775	2.8
169.10103	3.3
171.11705	6.7
173.13251	15.6
175.14824	11.3
177.12729	2.5
177.16357	3.4
183.11696	2.2
185.13269	3.9
187.14804	22.6
189.16377	3.8
191.14343	6.5
191.17896	7.7
193.15819	1.5
197.13281	2.6
199.14806	3.8
201.16362	8.3
203.17941	48.6
204.18300	2.8
209.13467	2.3
209.15280	6.8
211.14772	3.4
213.16370	12.0
215.17982	5.3
217.19490	3.8
225.16444	2.3
227.17978	10.9
229.19431	3.0
239.18163	2.9
241.19493	2.5
243.21049	1.6
245.19179	2.3
253.19673	2.4
255.20877	1.6
257.22662	4.9
269.22592	2.2
275.20084	1.5
275.23627	3.4
287.23743	2.3
297.22180	2.1
313.25311	1.8
325.28653	2.0
335.27356	4.3
353.28296	15.1
371.29431	39.9
372.29672	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	371.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01865	0.6
55.05509	1.5
57.03442	0.3
57.07071	10.9
58.06597	2.6
58.07392	0.4
64.50353	0.2
65.03926	0.2
69.03416	1.0
69.07062	2.7
69.58645	0.2
70.48210	0.5
71.08623	7.5
79.05479	1.6
81.03408	9.2
81.07049	5.5
83.04957	0.7
83.08601	0.9
84.82132	0.2
85.09689	0.4
85.10169	4.5
87.43665	0.2
89.44936	0.3
91.05473	2.4
93.07027	1.6
95.04960	2.4
95.08598	5.2
97.06522	0.3
97.10148	1.1
98.23425	0.3
98.30448	0.2
103.05448	0.3
105.04474	0.3
105.07009	2.1
107.04958	0.4
107.08557	1.1
109.06511	2.7
109.10138	2.5
111.04397	0.3
111.11696	0.7
115.05409	0.4
117.07029	1.2
119.04919	0.4
119.08581	1.7
121.06512	0.6
121.10122	0.7
123.11671	1.5
128.06186	0.8
129.07034	1.6
131.08549	1.7
133.06491	0.4
133.10130	1.0
135.08026	0.6
137.13261	0.5
140.38293	0.2
141.06966	1.3
142.07753	1.3
143.08563	1.9
145.06465	0.8
145.10109	1.3
147.08025	0.6
149.09613	0.4
153.06967	0.8
154.07803	0.3
155.08553	1.7
156.09239	0.7
157.06548	0.4
157.10098	2.7
159.08063	0.6
159.11711	1.1
161.09660	0.5
161.13339	0.3
165.06982	1.1
166.07768	0.5
167.08522	1.3
168.05630	0.2
168.09294	0.6
169.10127	1.2
170.10847	0.3
171.08052	0.6
171.11685	1.0
173.09633	0.4
173.13254	0.7
178.07701	0.6
179.08514	1.0
180.09334	0.5
181.06468	0.2
181.10049	1.7
182.10802	0.3
183.07971	0.7
183.11690	1.5
185.09595	0.8
185.13205	0.5
187.11145	0.4
187.14876	0.3
189.12653	0.3
191.08521	0.5
192.09315	0.7
193.10107	1.3
193.19479	0.3
195.08029	0.6
195.11691	1.2
196.08771	0.3
197.09595	0.6
197.13272	0.4
199.11172	1.0
201.12743	0.7
203.08586	0.4
205.10193	0.6
206.10820	0.5
207.07990	0.3
207.11687	1.0
209.09569	0.9
209.13243	0.9
211.11276	0.4
211.20547	2.2
213.12711	0.3
216.09247	0.3
217.10077	0.6
219.11732	0.4
221.09624	0.3
221.13254	0.6
223.11113	0.7
223.14742	0.3
225.12717	0.6
227.10678	0.3
228.55565	0.3
229.12267	1.0
231.11467	0.2
232.12466	0.4
235.11061	0.4
237.12674	0.6
237.16278	0.4
247.14716	0.7
249.12679	0.5
255.13718	0.5
263.14246	0.3
265.15826	1.4
267.13904	0.3
268.26315	100.0
269.22647	0.4
269.23602	0.4
269.26639	4.9
275.14294	0.4
281.15536	0.4
283.16849	0.8
289.14221	0.8
293.15350	1.2
311.16376	3.4
312.16702	0.5
329.17291	0.6
353.28256	0.4
371.18515	5.4
371.32834	0.3
372.18759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.01865	5.0
65.03959	2.0
68.99792	10.8
69.85660	1.2
69.86285	3.4
70.06586	2.2
76.07664	1.3
77.03938	2.1
79.05508	1.2
81.03416	11.0
82.02947	2.9
83.01340	16.1
83.07327	1.2
84.04501	2.9
84.08134	3.6
85.02932	1.3
86.08740	1.3
90.25636	1.1
91.05474	9.7
93.03429	2.3
93.21345	1.0
95.01317	2.0
95.04996	2.1
98.22752	1.3
100.03976	19.1
100.07593	6.5
103.05465	31.7
105.03362	2.8
105.07034	4.6
108.04540	1.5
109.02868	14.8
110.06034	6.2
110.09682	1.8
111.04437	1.8
112.01592	1.4
121.02849	6.1
122.09663	1.1
123.00762	2.2
127.00278	1.7
129.07024	2.2
131.04922	100.0
132.05241	3.6
133.02887	1.8
136.03957	2.7
136.07620	1.1
137.02342	8.5
139.00204	1.9
140.01033	1.4
149.02394	7.9
151.03899	4.4
154.04977	6.3
155.03391	1.9
161.02336	5.6
163.00224	3.3
165.01892	5.7
165.06966	1.4
166.99783	2.0
167.03378	11.4
168.00537	12.3
169.01338	16.2
170.45158	1.2
173.06015	3.3
176.03468	2.2
177.01837	13.0
178.05000	2.8
179.03427	3.5
179.08624	2.6
181.01250	2.4
181.06479	1.9
182.11745	1.7
185.00809	7.8
186.01581	6.2
189.01871	6.6
190.01399	2.3
190.99751	3.4
191.08618	1.8
194.04393	1.2
195.02879	43.0
195.07973	2.4
196.06067	2.8
203.03362	1.6
204.02922	4.7
205.01311	37.9
206.04539	3.6
207.02844	11.4
208.02441	3.5
209.00771	3.6
219.08022	2.8
222.03969	10.1
223.02393	25.6
223.07491	1.5
224.05641	2.0
225.09038	1.9
232.02376	11.6
232.06042	1.5
233.00798	21.9
235.07603	2.2
237.09114	5.2
239.06908	1.9
240.05063	1.9
241.03426	1.7
247.07585	2.6
250.03458	44.1
251.01877	11.8
251.06966	1.9
253.08623	4.1
254.17529	1.4
263.06973	2.6
265.08530	5.5
267.06577	2.2
267.10104	1.3
268.04501	12.3
269.02719	1.4
271.05997	10.3
272.06796	8.5
273.07587	27.5
274.07944	1.5
276.62177	1.2
281.08026	9.4
282.11234	2.0
286.05597	1.8
291.06522	5.7
293.08115	17.4
294.07742	3.7
295.06107	4.2
308.09225	3.6
309.07541	28.4
310.07681	1.9
310.10956	2.2
313.06940	2.3
316.39856	1.1
319.05884	1.9
326.10223	25.5
327.08820	4.1
336.08667	8.9
336.12109	2.0
337.06940	14.0
338.07532	1.7
354.09714	17.1
354.13672	2.3
355.08038	10.4
372.10596	3.3
372.14581	2.9
372.28510	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	372.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01883	5.4
55.05507	1.3
65.03955	1.5
65.91995	0.9
67.01865	2.0
67.05503	1.7
68.99785	9.7
69.69174	3.8
70.06591	2.7
72.04520	1.2
72.08150	2.5
79.05497	2.4
81.03423	13.6
82.02957	1.3
82.58865	0.9
83.01338	16.8
83.04981	6.9
83.07365	3.0
84.08136	1.7
91.05469	9.3
93.07034	0.9
94.06589	1.7
95.01334	1.7
95.04961	4.5
96.04493	1.4
98.23434	0.9
99.04459	2.1
100.03973	18.2
103.05463	33.6
105.03397	2.6
105.04523	2.1
105.07027	8.5
107.01322	1.1
107.04979	3.1
108.04525	1.2
109.02880	12.1
109.06533	1.2
110.06049	2.5
111.04437	5.4
112.01620	1.2
112.04002	2.2
113.02366	1.1
115.05515	1.1
119.04955	1.2
120.04465	2.0
121.02876	4.5
123.00784	2.1
123.04434	2.8
127.03899	1.6
128.10660	1.4
129.06995	1.1
131.04924	100.0
132.05266	3.2
133.02876	2.9
135.04413	2.2
136.07626	1.6
137.02339	12.2
137.05995	2.2
139.03889	1.6
140.01009	1.8
140.07103	4.1
147.00722	1.3
147.04398	1.6
148.03990	2.0
149.02309	5.0
151.03885	2.3
154.05006	1.3
155.03389	2.5
160.03900	1.2
161.02348	3.0
162.05504	2.6
163.03920	3.1
164.03386	1.3
165.01843	5.6
166.99791	1.3
167.03400	4.9
168.00548	10.6
169.01328	27.6
169.02711	1.7
171.04422	1.5
173.05991	2.5
176.03453	2.1
177.01797	11.8
178.05017	2.8
179.03378	9.5
179.08577	2.0
180.02863	2.0
181.01291	1.8
183.02896	2.6
183.04417	1.1
184.13361	3.2
185.00803	6.0
186.01619	9.2
187.02374	1.1
189.01849	3.4
190.01337	1.9
190.05002	6.8
190.99736	5.0
191.03426	4.1
192.06610	1.1
193.06548	1.4
194.04474	3.9
195.02887	14.8
195.08105	1.9
197.04469	2.9
204.02875	5.5
204.06628	1.4
205.01341	20.7
205.04828	1.1
206.04474	4.7
207.02873	11.5
208.02448	1.9
208.06006	5.3
209.00789	4.9
221.06053	1.1
222.04057	3.3
222.07591	0.9
223.02380	9.4
223.05792	1.4
223.07660	1.4
224.05531	6.8
225.03922	3.1
226.07149	1.8
232.02467	6.0
232.06140	2.5
233.00807	9.4
236.05595	1.3
239.06982	1.2
240.04941	4.8
241.03264	1.6
250.03531	6.6
250.06895	4.7
251.01894	15.6
251.07077	1.9
263.06995	3.0
265.08557	2.0
268.04517	7.9
268.08429	3.2
269.02878	6.8
271.05936	8.4
272.06793	5.4
273.07559	39.6
274.08102	1.5
281.08057	5.1
286.10190	1.9
290.11896	1.1
291.06464	1.2
293.08090	7.3
294.07944	3.0
294.11417	2.6
295.05960	4.4
307.09589	2.2
308.09067	5.4
309.07544	14.1
310.10898	2.2
311.09042	1.4
312.12415	1.2
323.05606	1.2
326.10257	3.8
326.13837	1.3
327.08517	5.6
336.08606	3.3
336.12228	2.9
337.07016	9.8
340.12872	1.0
354.09628	11.2
354.13620	6.8
355.07993	13.4
355.11853	1.1
372.05911	1.4
372.10565	2.0
372.14496	19.2
398.95950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	27.2
55.01877	7.4
55.05518	5.2
65.49442	3.5
66.19816	3.4
67.05483	4.1
68.99775	11.4
69.74658	12.1
77.03941	4.3
79.05485	7.0
81.02962	5.6
81.03413	74.0
83.04974	52.9
89.06300	3.6
91.05478	5.7
95.04956	10.2
99.04446	18.8
103.05473	33.0
105.03384	8.9
105.07016	39.4
107.04961	10.3
109.02863	13.3
111.04430	34.8
121.02879	6.8
123.04430	13.1
131.04922	100.0
133.02831	9.1
135.04405	12.3
137.02339	33.8
139.03864	4.3
145.02719	3.2
147.04402	11.7
149.02330	8.4
151.03893	14.8
153.03668	3.2
161.02344	12.5
165.01831	9.8
170.99191	5.0
177.01823	11.3
178.04999	22.0
179.03375	62.6
183.02898	10.3
189.01826	6.1
190.05013	5.5
195.02846	31.0
197.04440	15.8
197.43585	3.2
205.01271	5.5
206.04453	39.5
207.02876	33.3
219.08087	5.0
223.02330	5.2
224.05495	40.7
225.03864	19.5
233.00786	10.0
237.09030	5.6
241.03323	6.5
247.07610	3.5
250.03400	7.1
251.01843	95.8
251.07140	4.7
257.04398	11.9
263.06970	5.1
265.08646	14.9
268.04510	33.0
269.02878	28.7
281.08038	16.4
291.06433	6.9
293.08066	10.0
309.07513	10.5
310.10632	8.8
311.09055	12.5
354.09583	5.4
355.07932	16.9
372.14670	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	372.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01840	2.2
55.05510	6.4
56.05036	1.9
58.04246	1.2
58.61479	1.1
60.21403	1.0
60.50506	1.2
61.61843	1.3
65.03931	1.9
68.99794	7.6
69.86481	3.8
70.02943	1.2
70.06592	3.7
73.58956	1.2
79.05487	1.2
80.05026	1.3
81.03423	4.5
82.06575	2.8
83.01339	2.9
83.04970	1.7
83.07351	2.3
83.08624	4.9
84.04496	18.0
84.08150	4.0
87.76069	1.1
91.05483	2.1
95.04948	2.0
98.09692	1.2
100.03989	3.9
100.07609	7.4
100.11256	13.7
103.05469	34.0
105.03428	2.4
105.07026	4.5
108.04494	2.3
109.02883	25.2
110.02382	2.2
110.06037	14.7
111.04406	10.5
112.07607	2.0
117.03367	1.7
121.02855	4.5
123.00854	1.4
126.05500	2.1
126.58083	1.2
128.07085	4.5
131.04922	100.0
132.05199	1.3
133.02817	1.8
136.03954	2.5
136.07637	1.4
137.02339	4.4
137.06039	1.3
139.00311	1.8
140.07045	2.2
149.02365	3.6
151.03874	1.6
154.04976	17.9
155.04935	1.3
155.63393	1.3
156.06595	2.3
161.02338	3.5
162.01854	1.7
163.03918	1.3
164.03496	1.6
164.07057	2.0
165.01852	5.5
166.99739	2.1
167.03465	4.6
168.00526	2.3
169.01335	7.3
173.05968	9.7
177.01833	6.3
177.05495	3.4
179.03349	1.4
182.04472	2.7
182.15399	19.4
185.00830	5.0
189.01843	4.9
190.01341	2.9
195.02876	8.4
204.02925	4.9
205.01323	8.6
206.04434	2.9
206.08151	2.6
207.02847	9.1
208.02400	2.5
210.14886	25.1
214.99641	1.5
220.81163	1.3
222.03949	2.9
223.02411	7.5
223.07591	1.8
227.17570	3.6
228.15948	6.6
232.02364	7.7
233.00853	8.9
240.05043	1.3
245.18587	2.4
250.03464	26.9
250.08043	1.6
251.01784	7.8
263.07114	2.1
265.08752	2.5
268.04514	41.0
268.07639	2.1
271.06021	6.4
273.07538	5.9
281.08096	4.2
291.06476	2.0
293.08194	9.2
294.07742	3.0
295.06140	1.5
308.09216	1.5
309.07709	7.3
310.10892	1.9
310.14185	2.8
323.87665	1.4
326.10275	3.7
336.08664	6.4
336.22806	2.5
337.07022	13.6
337.21191	14.1
354.09659	10.1
354.23868	5.5
355.08096	4.2
355.22162	7.1
366.70526	1.1
372.10712	5.9
372.14673	11.1
372.24832	4.6
382.30157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53144	3.4
60.05643	5.2
64.48388	3.2
65.38609	3.7
68.99798	3.8
70.06591	9.8
71.41447	4.0
79.05511	4.4
81.03417	5.9
86.11767	3.4
91.05466	8.9
92.25927	3.6
94.06561	11.5
95.04952	4.4
100.07623	4.6
101.06011	5.6
103.05463	22.0
104.05821	7.9
105.03404	4.8
105.07001	4.5
109.02872	6.8
111.04430	4.4
119.01305	42.6
120.08179	3.5
122.39957	4.3
123.05521	3.6
131.04938	64.2
132.05237	9.3
133.02890	3.9
137.02391	7.2
147.04399	4.2
154.98326	3.5
163.03926	8.8
164.04308	3.6
165.01823	9.1
165.06982	17.6
169.96167	4.2
173.05905	5.4
181.04877	4.0
190.04985	49.2
190.99805	5.2
191.03619	6.7
191.05321	26.7
193.06483	14.1
195.02878	4.9
204.02844	8.8
205.01335	9.9
207.02951	5.5
208.06018	27.5
209.00819	52.1
210.01233	4.2
213.89281	3.6
215.04503	6.5
216.04890	7.8
221.05959	7.1
223.05809	5.1
226.07118	16.2
232.06004	4.8
236.05411	4.2
249.05452	30.5
253.69786	4.1
267.10892	9.5
268.09012	4.6
269.06650	3.7
273.07504	5.3
277.04950	89.9
278.05664	5.5
278.08878	11.8
286.10327	10.3
294.11243	8.8
295.05984	42.2
295.11441	16.8
307.09656	6.0
308.09055	11.6
309.07568	100.0
309.10956	5.3
310.07846	4.6
312.12531	6.8
315.08994	3.9
320.11227	4.6
337.06924	4.6
343.08151	9.0
351.76028	3.7
354.09744	6.6
354.13202	8.6
354.16864	6.3
355.07993	9.5
355.14691	4.9
364.17865	4.0
371.17178	6.4
372.13266	4.5
372.17810	56.8
373.12903	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	372.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73585	0.4
59.04976	0.8
67.01542	0.3
67.01852	9.1
67.05475	0.4
68.99784	0.6
69.12364	0.8
69.12762	1.5
69.18432	0.4
69.67610	0.4
70.06564	0.8
76.02224	0.9
79.01840	0.5
83.07333	1.8
84.08135	0.6
86.06071	0.5
91.05458	0.6
94.06516	0.4
95.01317	2.8
95.04954	0.5
101.06020	2.5
103.05447	2.4
105.03361	0.6
105.07018	1.3
107.01309	1.2
107.04945	1.0
110.06027	0.5
124.07595	0.6
131.04915	9.8
132.05202	0.5
135.00769	5.3
136.07610	0.5
146.06020	0.4
147.04413	0.8
148.03899	0.4
162.05438	0.5
163.00230	1.0
169.01286	0.4
174.09279	0.5
177.05455	0.4
180.02728	0.5
181.01302	8.5
190.99733	60.0
192.00029	2.4
196.75087	0.4
203.03351	0.9
204.02887	3.5
204.06616	0.7
205.01369	0.9
205.04918	1.3
208.02393	9.9
209.00793	100.0
210.01160	3.4
218.99255	1.4
222.07697	0.6
223.02374	2.7
223.05963	1.3
226.03450	1.0
227.01843	21.2
228.02162	0.7
232.05920	1.9
233.04428	1.7
236.01878	25.3
236.05678	1.1
237.00273	21.8
237.02075	0.9
241.03409	9.7
250.07057	3.4
251.01849	55.7
252.02237	1.6
254.02956	1.4
255.01346	5.3
269.02954	2.9
290.11899	0.6
295.06009	11.2
295.09073	0.5
307.09445	1.1
308.09238	3.1
309.07623	0.6
309.11026	0.5
312.08630	42.5
313.08844	1.7
327.08374	2.2
336.12305	1.4
340.08121	14.7
340.11642	0.6
341.08392	0.9
354.09515	0.7
354.13217	3.4
355.08292	0.5
372.14331	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	372.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74771	0.5
55.13855	0.4
55.17124	0.5
57.07060	0.6
63.53599	0.5
65.03921	0.7
69.24737	3.2
70.06572	0.9
78.11193	0.6
78.80006	0.5
79.05450	0.6
87.04450	2.7
88.07584	2.1
91.05476	34.9
92.05762	1.5
94.02851	0.5
94.06512	0.9
96.04484	0.6
103.05447	4.2
105.03376	0.6
106.08622	1.7
107.50372	0.5
110.18159	0.5
122.02412	0.6
130.06490	2.2
131.04910	5.7
140.03354	0.5
142.06512	1.1
146.05945	2.1
156.08087	1.1
158.05962	2.3
162.01874	1.2
163.03883	0.8
166.06476	1.0
170.05986	1.9
172.07565	0.6
184.07547	3.0
190.01340	12.9
190.04942	4.8
191.03568	1.0
191.05305	3.5
194.06010	1.0
198.05449	1.9
208.02376	9.5
208.06026	2.1
212.07088	6.3
216.04817	0.7
222.05510	1.2
226.04980	1.5
226.07076	1.9
240.06508	6.2
244.05986	2.7
250.04944	1.7
250.07411	0.6
268.06030	97.7
269.06308	5.2
278.08942	1.6
286.07385	0.6
286.10333	0.9
294.07758	0.8
294.11136	0.7
295.11542	2.5
312.12277	1.2
320.11017	1.1
324.32672	0.5
330.10992	0.8
343.08307	3.4
354.16470	1.2
355.14844	0.8
372.12311	100.0
372.17239	8.0
372.34732	1.5
372.38718	0.8
373.12659	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	372.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01890	0.2
55.05509	0.2
56.05008	0.2
59.05008	0.2
63.16151	0.2
67.15122	0.2
69.03409	0.5
70.06580	0.9
70.79852	0.3
72.08135	0.6
79.05478	1.6
81.03410	0.8
84.04491	0.6
84.08131	1.4
85.02896	1.2
86.09696	1.1
87.00817	0.5
91.05445	0.3
95.04935	0.6
96.04487	0.4
97.02882	0.9
99.04442	0.3
101.06006	0.4
102.05542	0.2
103.03933	0.4
105.01829	0.2
105.04485	0.2
106.06544	100.0
107.06239	0.1
107.06867	3.0
108.04438	0.2
109.02845	0.3
110.06024	0.5
118.06541	0.8
120.08019	0.2
121.02869	0.3
122.46535	0.2
124.03973	0.2
124.07600	0.4
127.03896	0.4
128.07076	0.5
129.05470	0.4
129.10223	1.7
130.06537	0.2
130.15936	0.9
136.06232	0.2
147.06506	0.3
159.02921	0.2
161.09259	0.3
200.60738	0.2
250.09253	0.4
373.14444	0.4
373.18579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.3
64.40574	0.2
69.03427	0.5
69.40154	0.9
70.06594	0.7
72.08160	0.5
78.03438	0.2
79.05502	1.6
81.03397	0.3
82.22266	0.2
84.08150	0.5
85.02906	0.7
86.09705	1.0
87.00818	0.2
94.97568	0.2
95.04974	0.6
96.04491	0.3
97.02892	0.7
98.22690	0.3
100.64714	0.2
105.04529	0.3
106.06555	100.0
107.06261	0.2
107.06886	3.1
108.08132	0.2
109.02921	0.3
110.06091	0.2
111.04493	0.2
116.07114	0.3
118.06588	0.8
119.05009	0.2
124.07638	0.3
127.03960	0.2
130.06529	0.3
136.06155	0.3
147.04417	0.2
147.06509	0.3
148.07680	0.2
195.53914	0.2
232.97050	0.2
236.89066	0.2
250.09270	0.3
372.17383	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	372.144
Annotation	(-)-Sukhodianine beta-N-oxide
Peak:m/z	Relative Intensity
59.04996	0.6
68.99786	2.6
69.08897	1.0
69.09306	2.2
70.06569	0.6
71.05013	0.5
71.49281	0.4
72.08166	0.4
79.05474	1.1
81.03380	0.6
87.04455	6.6
89.06013	2.0
91.05463	1.2
93.07040	0.9
95.04958	0.8
97.02865	0.4
98.23441	0.7
105.06989	0.7
106.06548	1.1
107.04963	0.6
107.08588	1.1
108.08099	0.6
109.02837	0.7
110.09672	0.7
111.04463	0.5
111.42132	0.4
119.08579	1.0
120.04414	0.4
121.02852	2.3
121.06419	0.5
123.04410	0.4
127.03916	0.5
133.02733	0.6
133.06496	0.8
133.08594	0.8
135.04411	1.7
135.08041	0.5
137.01289	0.9
137.02347	17.8
137.03418	1.4
138.02592	0.7
147.08022	1.2
149.06012	1.7
157.06514	0.6
161.02316	1.6
174.09238	0.7
175.07550	3.4
176.10835	0.4
177.05476	0.8
179.03400	1.4
179.07016	0.6
188.10783	0.5
190.12201	0.5
192.10223	1.2
193.08630	1.4
202.08629	0.7
203.07024	1.8
213.05650	0.4
218.11737	0.5
220.09746	0.5
231.06458	1.1
239.06979	0.6
243.06551	1.3
244.09718	0.5
245.07964	0.4
255.06520	10.0
256.07037	0.7
257.07993	1.3
267.06543	1.3
268.07355	3.6
269.08020	1.3
270.07687	1.5
271.05978	7.4
281.08078	1.3
282.07596	2.1
283.06320	1.5
283.09622	45.0
284.06870	0.8
284.09976	2.4
285.07629	0.7
293.07971	3.6
294.08307	0.5
295.09595	3.6
297.07593	0.5
298.10760	1.9
299.09149	3.6
299.12665	0.9
309.07797	0.8
309.11115	4.8
310.10837	3.8
311.08994	7.5
312.09097	0.8
313.06961	1.6
313.10284	0.5
319.09714	1.0
326.10397	0.8
326.13806	4.5
327.12204	8.2
336.12183	1.2
337.10687	3.8
354.13351	19.7
355.11661	18.4
356.12061	1.1
372.14395	100.0
373.14963	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	372.1442
Annotation	(-)-Sukhodianine beta-N-oxide
Peak:m/z	Relative Intensity
50.68705	1.7
55.01873	3.1
55.87268	1.6
56.05025	4.2
60.05634	2.9
66.21042	1.8
66.92584	1.9
67.05502	4.3
68.99789	7.1
69.03432	2.0
69.44023	4.2
69.44412	4.5
70.06601	10.3
71.56341	1.8
79.05494	4.8
80.04993	2.2
81.07030	4.7
81.47614	1.8
81.66615	1.7
82.06567	9.7
82.47123	1.6
83.04968	2.8
83.07359	25.1
83.08660	1.8
84.08136	9.4
85.02930	2.2
86.06062	5.5
86.63432	1.8
91.05478	16.8
93.07021	2.7
94.06562	2.9
95.01337	1.9
95.04951	5.2
96.04474	2.5
103.05466	39.7
104.05817	2.4
105.03384	5.2
105.07010	3.8
106.06594	2.1
107.04926	4.5
108.08109	3.1
109.02869	3.4
109.06522	3.2
109.10136	2.5
110.02433	2.5
110.06039	5.5
111.04455	2.1
118.06528	3.8
119.04952	6.5
120.04480	5.7
121.02958	2.9
121.06544	3.1
122.06090	2.7
123.04372	2.4
124.07607	3.0
130.05048	2.4
131.04922	100.0
132.05266	7.8
133.10202	2.0
135.11693	4.8
136.07579	6.6
137.02319	3.6
137.05984	5.7
138.01839	2.3
138.05528	2.5
146.06012	7.2
147.04416	4.0
148.03935	5.2
149.02296	2.6
150.05534	4.2
156.02850	2.8
157.02914	5.1
159.04500	2.9
161.05984	1.9
162.05495	7.6
163.03912	4.7
164.07086	5.1
165.01898	2.6
166.99800	2.8
169.01308	3.5
175.14902	2.8
176.03374	4.4
176.07047	3.9
177.05406	2.7
179.03375	2.9
181.04947	3.1
183.02847	2.4
185.00774	3.1
187.03880	4.1
190.04916	12.7
191.03419	6.3
193.16048	2.6
194.04324	3.1
195.02917	6.8
203.03391	7.3
204.02914	46.2
204.04771	3.3
204.06447	9.1
205.01392	4.0
205.03203	3.1
205.04842	13.6
206.04562	3.9
206.08144	4.6
207.02873	7.7
208.06071	11.9
214.04948	2.1
215.03479	3.3
218.04240	2.1
221.04446	6.4
222.03940	5.1
222.07620	5.8
223.02345	4.3
223.05936	21.3
223.07660	2.2
224.09128	4.6
226.07108	7.0
227.05341	2.4
232.02513	10.5
232.06009	24.6
233.02551	3.3
233.04433	20.8
233.06441	1.8
233.24132	1.7
236.05563	2.4
243.08551	2.8
250.03284	4.1
250.07021	43.5
251.01750	2.7
251.07483	1.9
268.04587	3.2
268.08774	10.8
286.10327	8.1
289.08755	3.4
290.11771	5.3
294.11298	7.8
295.09549	2.1
300.62241	2.1
307.09619	16.0
308.09183	42.4
308.12576	2.4
309.11575	9.3
310.11154	1.8
312.12262	6.4
322.10794	2.4
326.10248	3.1
336.12592	24.1
337.07123	2.8
354.09561	4.1
354.13431	34.3
355.08289	2.8
355.13159	2.9
372.14453	76.6
373.14734	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	372.1441
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
50.92896	1.1
53.03917	1.5
65.03928	1.4
68.05009	1.5
68.99783	3.4
69.05809	2.4
69.76067	4.0
70.06593	5.7
80.05011	4.3
91.05502	7.3
94.02926	3.5
94.06567	2.2
96.04490	15.8
100.03973	2.3
103.05463	27.2
105.07021	1.5
106.02918	4.7
107.04956	2.2
108.04486	7.4
109.02879	2.1
109.05267	2.7
110.02390	3.9
110.06058	5.4
112.07519	1.2
115.05489	2.2
120.04463	19.8
121.02847	9.0
122.06054	4.6
131.04921	100.0
132.05244	3.6
134.02365	4.8
134.06013	2.4
136.03905	2.1
136.07594	2.0
137.02339	1.3
138.05511	2.2
140.07019	1.8
141.06952	3.2
143.03424	6.1
143.04886	1.6
144.04425	1.4
145.02879	2.0
146.06026	1.2
147.04390	2.1
148.03915	12.8
149.02373	1.6
150.05466	5.9
152.07057	2.0
153.05473	1.9
154.04974	1.7
155.04903	1.6
156.06561	4.8
157.06415	1.1
161.02344	2.1
162.05496	33.3
162.06857	1.7
163.03949	7.4
164.07071	2.9
165.01819	6.8
166.05023	7.4
167.06999	2.0
169.01302	1.1
172.03915	2.8
173.06013	3.2
174.05505	3.4
175.77264	1.2
176.03429	11.6
177.01883	1.2
179.03416	1.6
180.06552	4.4
182.08153	1.8
182.09676	2.7
185.05865	1.5
189.01871	1.8
189.09082	2.6
190.04959	22.2
191.03386	2.5
191.05200	1.1
192.06567	8.6
194.04482	18.3
195.02934	3.9
200.03407	2.5
204.02925	3.5
205.01324	2.9
206.08101	5.6
207.02888	9.8
208.06039	22.4
210.00912	1.4
217.03400	2.8
218.04445	11.0
222.03990	2.5
222.07635	4.5
223.02330	4.0
224.09180	3.7
224.14458	1.6
226.05063	1.5
226.07076	6.6
227.07051	3.7
232.02391	26.1
232.05960	1.3
233.02856	1.3
236.05362	2.7
248.10924	1.4
250.03459	3.9
250.07043	24.4
251.07155	1.4
252.10236	1.8
268.08121	34.4
269.08560	2.0
271.05704	1.3
273.07617	2.4
276.10165	3.6
280.09723	4.0
293.08072	2.2
294.11221	6.5
303.08499	1.6
304.09674	4.7
309.07602	3.0
310.14331	1.7
312.12381	3.7
322.10663	5.4
325.10626	1.4
326.10153	1.4
330.13495	1.5
336.08563	10.7
336.12323	4.9
337.06937	2.2
354.09665	2.4
354.13370	38.1
355.13596	2.4
372.14395	96.8
373.14651	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	372.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
68.05032	0.5
68.99773	0.4
70.02947	0.4
70.70999	0.2
70.71323	0.3
79.05478	0.3
84.04478	1.1
85.06523	0.3
91.05463	0.3
95.01306	0.3
96.04466	0.7
117.03373	0.2
119.04935	0.3
121.02852	1.6
124.03932	2.0
134.02350	1.0
136.13297	0.2
137.02345	0.5
137.05934	0.3
139.00255	0.6
140.03404	1.2
147.04367	0.6
152.03413	15.5
153.05447	0.5
163.03867	0.3
167.02060	0.4
168.02902	7.6
170.04408	0.3
178.01256	0.3
180.02898	100.0
181.03267	2.8
186.03981	0.3
198.03949	4.6
201.05380	0.4
225.75206	0.2
239.06943	0.6
255.06477	0.4
258.07608	0.7
267.06284	0.4
283.09592	0.8
288.08652	4.2
289.08954	0.4
291.10080	0.2
300.08627	44.9
301.08948	2.8
309.11234	0.3
327.12210	3.1
344.11945	0.3
344.18530	0.3
354.13477	0.5
355.11765	2.0
372.14548	0.5
373.12613	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	372.144
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
53.36968	0.5
56.96547	0.9
68.99788	0.5
69.16183	3.1
70.02933	1.9
70.06573	0.7
72.08141	0.5
79.01826	0.5
83.03695	2.4
83.07377	0.5
84.08117	0.6
90.85526	0.5
91.05451	0.9
98.02402	1.4
103.05429	0.6
111.03174	7.0
115.00775	0.6
126.01865	1.8
129.05484	0.6
131.04901	3.3
138.01851	16.6
139.02634	4.2
149.02376	0.5
156.02869	1.2
163.03853	0.5
165.01852	0.5
166.01350	26.3
166.11308	0.4
167.02126	78.6
168.02570	2.0
180.02890	0.7
184.02379	5.0
185.03175	38.2
186.03452	0.8
190.05043	1.0
191.05177	0.6
194.01718	0.5
195.02882	0.9
203.77457	0.5
204.02835	0.6
208.05984	1.2
222.01198	0.6
222.07588	30.3
223.07838	1.7
225.05426	2.8
228.06454	1.0
229.07356	1.4
240.08655	2.4
242.08073	2.8
250.06989	0.7
270.07605	5.5
271.08365	41.7
272.08844	1.7
282.17303	0.9
295.11417	0.8
300.22018	0.5
308.06308	0.6
312.22079	0.9
326.13828	100.0
327.14200	7.6
330.23120	1.0
343.07983	0.9
354.13318	1.1
354.33521	1.3
372.14084	9.5
372.24332	1.7
373.12781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01886	0.5
55.05505	0.7
59.04996	100.0
60.05333	1.3
67.01846	0.5
68.99783	1.6
69.10354	2.7
69.10773	1.1
72.08143	0.5
73.06555	1.1
79.05485	0.8
81.03410	1.3
84.08141	0.7
87.04470	0.6
89.06026	3.6
91.05469	1.3
95.04961	1.7
97.02895	1.1
97.06549	1.4
98.23433	1.3
98.97552	0.6
103.07572	80.3
104.07915	1.6
105.07088	0.8
111.04422	1.0
119.04938	1.5
119.08595	0.9
121.02854	10.4
123.08067	0.6
133.08588	2.7
135.04398	0.7
137.02344	30.5
137.03445	3.2
139.00299	1.5
143.08492	0.6
145.02838	0.7
147.04401	1.1
147.10149	29.5
148.10515	0.7
149.06039	1.1
161.02322	0.6
163.03862	0.8
165.11261	0.5
167.06927	0.5
173.08246	1.2
174.09000	0.5
175.07544	1.1
177.05478	0.9
177.11243	0.9
191.07120	0.5
191.09273	1.2
191.12788	2.1
193.08560	1.0
211.09666	0.8
219.10156	4.6
233.32513	0.5
237.11290	0.6
239.07047	3.7
250.09406	1.1
255.06451	4.1
257.04520	1.7
267.06296	0.7
268.07303	0.8
268.12509	1.5
269.07950	0.6
271.06015	1.3
279.09805	0.5
280.06860	0.6
281.11710	0.9
283.09586	6.6
293.07928	0.7
297.97592	1.2
299.09070	0.8
308.09955	1.0
309.11252	2.1
311.05911	1.0
311.09000	4.5
311.12073	0.5
311.61932	0.6
325.00003	2.2
326.10632	0.6
326.13974	1.8
327.12131	3.6
328.14417	2.6
337.10794	1.4
354.13431	1.9
355.11713	12.4
355.23166	2.6
372.13742	27.6
372.25775	5.3
373.12918	14.2
373.18118	0.9
373.26593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
62.98233	1.2
67.05537	1.1
70.39912	1.7
71.00701	0.8
81.07024	2.0
105.07011	1.3
107.08656	0.9
119.08553	2.1
131.08630	0.9
145.10146	1.4
149.82045	0.9
157.10139	1.2
159.11662	1.0
163.01819	0.9
176.92314	0.9
199.14880	1.0
300.06161	1.2
313.17859	2.3
315.02423	16.3
315.08496	1.3
329.10715	1.4
343.01883	70.7
343.08002	11.5
344.02176	2.9
358.04221	100.0
359.04523	4.6
373.06570	37.9
373.12708	14.3
373.20282	1.6
374.06927	2.3
374.13077	1.6
399.06955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
51.72556	0.3
58.68798	0.3
65.03936	0.5
68.30106	0.3
68.99779	1.0
69.03413	0.4
69.67651	1.2
78.58339	0.3
79.05470	0.3
85.54517	0.3
91.05467	0.6
93.06998	0.3
95.04944	0.8
96.41178	0.3
98.22746	0.6
105.06973	0.4
107.04922	0.6
109.06506	0.6
115.05485	0.4
118.96124	0.3
119.04947	2.4
121.02860	11.9
121.06504	0.4
125.05971	1.0
135.08038	0.8
137.02313	1.2
145.02815	1.6
145.06487	0.5
147.04410	0.7
149.05983	0.6
154.46294	0.3
155.03271	0.3
163.03886	1.0
163.07491	0.5
165.05440	1.0
173.05998	0.3
175.03941	0.3
183.06433	0.4
189.05524	0.3
189.55702	0.3
191.07018	1.1
212.01875	0.4
217.04919	0.4
229.08615	0.7
239.07007	32.4
240.07397	2.5
241.04987	0.7
252.07829	0.7
254.05731	3.9
255.06505	48.5
256.06830	2.1
257.07947	0.8
265.08588	0.5
267.06592	0.6
267.10062	0.7
268.07401	1.4
275.57202	0.3
276.07776	0.6
279.06445	0.7
279.10071	0.3
280.07657	0.3
280.11032	0.7
281.08273	0.7
281.11679	2.3
283.06171	2.0
283.09595	20.3
284.06985	0.4
284.09991	1.2
291.10120	0.9
293.08160	0.7
297.07654	0.4
309.07800	0.5
309.11127	4.0
311.09100	23.8
312.09393	1.6
327.12216	11.0
328.12576	0.9
337.10602	1.3
355.11722	100.0
356.12033	8.0
373.12799	7.2
373.19656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
55.01861	0.9
55.05506	0.6
67.05492	1.1
68.99779	2.8
69.03429	0.7
70.21679	0.6
70.74843	1.2
79.05474	1.3
81.03404	1.3
81.07059	0.7
91.05459	3.2
93.07043	1.2
95.04940	1.4
97.02880	0.8
105.07011	2.2
107.04990	0.9
107.08552	1.4
109.02837	0.9
111.04406	1.1
117.06998	0.5
119.04957	0.9
119.08562	2.2
121.02835	3.0
121.06490	1.7
123.04498	1.3
123.08121	0.6
127.94919	0.5
129.07007	0.9
131.08434	0.7
133.06447	1.0
135.04405	2.9
135.08072	1.3
137.02336	25.6
137.03352	1.4
141.05388	0.9
147.08015	2.3
149.05940	1.8
161.02303	2.8
163.03928	0.7
163.07597	0.6
165.05484	0.7
165.09016	0.6
166.14143	0.6
175.07521	5.0
177.05568	1.1
179.03410	2.1
193.08539	3.7
203.07004	2.5
221.08011	0.9
231.06477	2.4
238.06306	0.7
239.06981	1.7
242.05756	1.2
243.06503	2.8
255.06485	12.5
255.09241	0.9
255.10242	0.8
257.08008	3.7
259.06070	1.5
267.06528	2.3
267.10223	0.6
268.07288	4.9
269.08072	2.1
270.05234	0.7
270.08923	0.7
271.05954	10.0
274.51245	0.6
280.07162	0.8
281.04510	0.6
281.08017	1.0
281.11551	0.9
283.06165	4.3
283.09586	47.2
284.06943	1.2
284.09982	3.0
285.07547	1.7
293.08060	1.8
295.09641	3.0
297.07504	1.6
297.11172	1.7
299.05811	0.7
299.09088	7.6
299.12674	3.2
308.06839	0.9
309.07813	1.1
309.11166	7.0
311.09106	8.0
311.12625	1.5
313.06958	1.6
327.12207	39.5
328.12521	1.9
337.10651	2.0
355.11719	50.5
356.11993	3.2
373.12775	100.0
374.13147	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
52.68488	0.4
55.01868	1.0
55.05512	0.6
67.05511	0.9
68.99783	2.4
69.03445	0.5
69.07064	0.5
69.25627	1.4
69.26037	0.7
70.06596	0.5
71.72495	0.4
79.05493	1.2
81.03419	0.5
81.07051	0.6
83.06109	1.6
84.04502	1.8
85.02903	0.5
86.06059	2.5
86.09708	9.1
87.04223	0.4
89.03918	0.4
91.05476	2.5
91.25854	0.4
93.07047	1.1
95.04966	1.0
97.02894	0.6
97.10134	0.4
103.05459	0.5
105.07053	1.2
106.17747	0.5
107.04964	0.8
107.08631	1.0
109.02904	0.5
111.98120	0.4
119.08607	1.9
121.02864	4.1
121.06510	0.7
121.10085	0.4
123.04447	0.7
123.08037	0.5
127.03856	0.5
129.06580	0.6
131.08531	0.6
131.11745	0.4
132.10222	1.2
133.02910	0.6
133.06480	1.1
135.04396	2.0
135.08096	0.5
137.02344	20.5
137.03468	1.5
137.05966	0.6
138.02744	0.4
141.05443	0.4
145.02745	0.5
147.04419	1.0
147.08029	2.5
149.05954	2.0
149.09653	0.9
151.07527	0.4
157.06470	0.6
157.13358	0.6
161.02342	2.2
161.05954	0.8
165.05484	0.4
165.06932	0.5
167.07045	0.8
170.32245	0.4
175.07568	3.4
177.05385	0.6
179.03354	1.9
179.06979	0.6
181.06387	0.5
183.10156	0.8
185.12833	0.5
189.05499	0.4
193.05106	0.4
193.08604	2.8
196.14491	1.2
197.12883	1.2
199.07538	0.6
201.05385	0.5
203.06927	1.9
211.07619	0.5
211.09601	1.0
221.08031	0.6
225.12277	0.4
229.08850	0.5
230.27390	0.4
231.06447	1.9
238.06380	0.7
238.15811	0.4
242.05804	1.1
242.15030	1.0
243.06526	1.7
245.07944	0.6
255.06543	10.4
256.06985	1.0
257.08057	1.2
259.05972	0.7
267.06580	1.2
268.07330	3.0
269.08121	1.6
270.05225	0.7
270.08798	0.7
271.06036	8.3
271.09000	0.9
281.08096	1.1
281.11630	0.5
283.06201	3.7
283.09616	39.7
284.06824	1.1
284.10040	2.2
285.07629	1.3
285.11069	0.5
293.08112	1.1
295.09592	1.9
297.07605	0.9
297.11127	0.9
298.08423	0.6
299.09186	6.2
299.12781	2.1
308.06979	1.0
309.07623	1.0
309.11200	5.5
311.09134	5.8
311.12885	1.6
313.07016	1.4
313.10571	0.5
327.12234	27.0
328.12518	1.9
337.10703	1.8
355.11746	41.7
356.12039	3.1
373.12811	100.0
374.13141	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	373.1279
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
51.21543	0.3
55.01868	1.0
55.05512	0.6
67.05503	0.7
68.99787	2.9
69.03410	0.8
69.98962	0.8
77.03902	0.4
79.05483	1.7
79.76813	0.3
81.03409	0.7
81.07043	0.5
83.04987	0.4
91.05466	2.1
93.07038	1.6
93.90916	0.4
95.04974	1.8
95.08562	0.4
96.34268	0.3
97.06514	0.5
97.10164	0.5
98.22713	0.4
105.03390	0.4
105.07034	1.1
107.04956	0.4
107.08571	1.3
109.02859	0.5
109.06506	0.5
111.04444	0.5
117.07001	0.6
119.04941	0.7
119.08546	1.8
121.02859	4.6
121.06484	0.8
123.04414	0.6
129.07016	0.4
131.08601	0.4
133.06502	0.8
135.04410	2.4
135.08011	0.5
137.02338	21.4
137.03377	1.3
139.00298	0.5
141.05455	0.6
147.04427	0.6
147.08026	2.7
149.06001	1.7
149.09656	0.4
161.02350	1.7
163.03874	0.8
165.07066	0.4
175.07520	3.3
177.05493	0.4
179.03419	1.4
181.06538	0.4
183.08371	0.4
183.10144	1.0
193.08591	3.2
199.07397	0.6
200.30077	0.4
203.07086	2.0
205.04921	0.4
211.09598	0.7
219.10114	0.4
231.06450	2.0
238.06238	0.7
239.06979	2.6
242.05705	1.2
243.06461	1.8
245.08090	0.6
255.06483	10.9
256.07101	1.3
257.08060	1.8
259.06018	1.0
267.06506	1.2
268.07245	3.4
269.07974	1.6
270.05081	0.5
270.08801	0.7
271.06015	8.0
281.07947	0.7
283.06216	2.9
283.09607	36.2
284.06970	0.8
284.09991	2.4
285.07510	1.6
293.08051	1.6
295.09512	1.8
297.07620	0.8
297.11221	0.8
299.05923	0.6
299.09152	4.6
299.12805	1.2
308.06839	0.7
309.07504	1.0
309.11090	5.6
311.09122	5.7
311.12683	1.2
312.09500	0.8
313.07153	1.2
313.10898	0.5
319.09341	0.5
327.09274	0.6
327.12234	26.6
328.12488	2.5
337.10727	1.5
355.11728	43.7
356.12161	3.3
373.12799	100.0
374.13095	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	373.1283
Annotation	Noricaritin
Peak:m/z	Relative Intensity
51.75446	1.1
56.05037	1.3
56.56448	0.9
60.14907	1.1
63.02381	1.4
65.03934	2.4
70.06585	2.2
71.65969	1.0
78.04706	1.4
79.05487	1.9
81.03392	1.5
83.06111	3.3
84.04506	2.8
84.08133	4.3
85.02901	2.1
86.06069	14.9
86.09699	14.8
87.00819	1.1
89.03378	1.6
89.03913	26.3
91.05470	11.6
93.07042	1.4
95.05009	1.0
97.02898	1.4
98.06045	1.7
98.97585	1.1
100.11255	1.3
103.05449	2.7
106.04145	1.7
107.04962	2.0
109.02915	1.1
109.06509	0.9
111.04444	2.7
112.29037	0.9
112.67755	0.9
115.05510	1.5
116.07091	1.4
117.03371	58.1
119.04931	12.5
121.02860	37.3
121.03830	1.3
121.06467	1.6
122.03691	1.3
126.22999	0.9
127.03844	1.3
129.06610	1.8
129.10255	2.4
131.04942	1.7
131.56148	0.8
132.10193	3.2
133.06476	1.4
134.03639	3.9
135.04425	4.1
136.06163	1.8
137.05972	30.9
145.02841	93.2
145.06541	2.0
146.03207	3.2
147.04399	7.4
147.07985	1.5
149.05971	18.3
149.07059	1.7
151.07526	1.9
158.03543	1.7
161.05949	2.3
162.03235	1.0
162.06715	2.3
163.03828	1.4
167.07040	1.1
173.05939	3.0
175.03923	3.6
177.05464	100.0
178.05803	4.0
178.13428	0.9
180.07692	1.8
182.15404	1.3
186.03008	1.2
189.05418	1.7
193.05017	1.7
196.14442	2.6
197.12811	1.5
201.05464	18.7
205.06464	1.9
207.06529	2.0
210.14839	2.1
211.15250	2.9
214.15544	2.0
219.06509	2.7
221.05978	1.2
222.06741	1.6
233.06017	1.9
234.06703	2.2
236.05560	1.4
237.08914	1.4
245.06178	1.1
250.06274	1.3
265.08624	2.8
277.08502	1.5
283.09650	1.2
292.07257	1.2
293.08047	2.5
294.08563	1.0
305.08130	3.5
307.09741	3.1
309.11185	2.0
325.10660	5.8
337.10645	2.2
338.21539	1.4
355.11774	2.6
355.23495	2.3
356.12064	1.5
373.13318	5.1
373.18280	22.4
374.18747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	Asplenetin
Peak:m/z	Relative Intensity
50.23469	0.8
51.02383	0.7
53.03936	2.2
59.39643	0.6
63.98127	0.7
65.03938	1.5
68.99786	4.9
69.03433	1.0
69.11940	1.2
69.12340	4.1
77.03939	1.0
81.03406	5.3
81.07027	0.6
82.06603	0.7
85.23042	0.6
91.05472	2.4
95.04971	2.7
98.23447	1.3
103.05460	32.0
105.03393	2.4
105.04498	0.8
106.55894	0.7
107.01315	2.7
109.02882	4.4
111.04404	1.7
112.05227	2.0
113.05988	0.8
115.05424	0.8
117.07006	2.5
119.04977	0.7
119.20378	0.7
121.02850	1.6
123.04360	0.8
131.04919	100.0
132.05261	3.5
133.02852	1.5
135.04459	0.7
137.02293	2.3
138.17244	0.6
139.03879	0.8
145.06442	1.2
147.04372	0.9
149.02321	3.7
151.03899	2.4
153.01797	1.2
155.04897	2.2
155.06046	1.1
156.65753	0.7
161.02341	1.5
163.03914	1.6
165.01796	3.7
165.06989	1.0
167.03371	1.1
167.08553	1.5
169.04916	3.3
173.02899	0.7
173.05978	20.3
177.01828	5.7
177.06892	0.8
178.07829	0.9
179.03409	3.1
179.08543	1.4
189.07057	1.0
191.03337	2.1
191.08623	1.2
193.01379	2.2
193.04973	2.0
195.02888	2.6
195.08022	2.1
205.01323	2.9
205.06552	0.8
207.02855	0.9
207.08070	1.3
209.04398	3.5
213.03880	0.9
219.06406	0.9
223.07596	1.6
235.07497	3.2
237.03885	3.7
245.06064	1.5
251.07068	9.7
252.92564	0.7
263.07019	4.7
265.08618	1.1
269.06635	2.5
281.08047	3.1
291.06519	2.2
295.09601	4.9
309.07428	1.0
313.10721	1.1
323.09116	4.6
325.10846	0.8
325.55981	0.7
341.10117	3.9
343.08047	1.5
356.11090	1.2
373.07895	2.6
373.12997	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21449	2.4
54.63503	1.9
65.03937	2.2
69.93236	1.9
76.17103	2.1
76.85561	2.6
79.05473	7.6
81.03407	5.2
84.08142	5.1
84.71597	2.3
91.05477	4.9
95.04960	3.9
100.07632	5.2
103.05482	15.5
105.07034	7.0
107.04950	86.6
115.05466	5.2
117.07066	2.9
120.05711	3.9
123.04463	4.9
124.00062	2.1
130.86482	2.0
131.04912	10.3
135.08061	28.0
136.08342	2.6
145.07584	3.3
151.03906	3.9
161.05804	2.9
163.07535	100.0
164.07880	2.6
167.07022	48.2
168.07373	2.7
180.07813	2.7
193.08673	2.0
195.10153	47.0
196.10616	3.2
209.05989	3.1
213.11229	2.9
215.92363	2.3
221.06042	4.7
293.04517	2.4
321.03934	6.0
373.14548	3.5
373.18967	2.4
373.28967	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05318	0.4
55.01869	1.5
55.05515	2.0
57.03430	3.1
58.69593	0.4
65.03936	4.1
67.05503	2.8
68.99778	1.4
69.03419	0.7
70.61047	0.5
71.01326	0.5
71.04993	1.1
73.06546	0.7
77.03874	0.5
79.05480	2.5
79.61792	0.4
81.03412	1.0
81.07066	3.2
83.04967	1.5
84.08136	0.7
86.09698	0.6
91.05474	14.0
93.03394	2.9
93.07050	2.8
94.04194	0.8
95.01321	1.8
95.04963	10.8
95.08607	4.2
97.02879	0.4
97.06509	0.7
101.05989	1.3
103.05479	0.8
105.03374	1.1
105.07024	3.8
107.01302	0.5
107.04946	13.2
107.08586	1.6
109.06508	6.8
109.10122	0.5
111.04449	3.3
115.05447	1.1
115.07575	3.5
117.03365	0.8
117.07019	2.5
119.04935	20.5
119.08569	8.2
120.05270	0.4
120.08952	0.4
121.02859	46.7
121.06466	2.4
122.03209	1.3
123.04427	3.9
123.08056	1.7
125.05956	0.6
128.06210	0.6
129.06987	1.4
131.04921	1.4
131.08548	0.9
132.05731	0.6
133.06464	3.1
135.04393	1.8
135.08084	2.0
137.02335	1.0
137.05946	5.0
139.03888	3.1
145.02823	1.6
145.06474	2.5
147.04398	100.0
147.08031	10.1
148.04738	3.4
149.02341	1.0
149.05991	2.1
149.09613	1.7
151.03914	1.1
151.07516	0.7
153.05457	19.9
153.08919	0.5
154.05762	0.5
157.06546	0.5
159.08017	0.7
161.05904	1.2
163.03908	5.1
163.07553	2.3
165.05453	0.7
165.09093	5.9
167.03421	0.6
167.08406	0.5
173.05978	2.1
173.09616	0.4
175.07518	4.3
177.05443	1.9
177.06874	0.7
177.09082	1.0
178.07796	0.5
191.06993	2.0
193.08601	3.3
195.07979	1.0
201.05447	1.7
201.09157	0.6
203.07024	1.6
209.08040	1.0
211.09685	0.9
219.06477	0.8
219.17590	0.4
221.08020	5.3
223.07552	3.0
225.09076	0.9
225.11066	0.9
229.04951	0.5
235.09668	1.4
237.07547	16.5
239.07019	3.4
241.08641	1.2
248.12021	0.9
249.12709	1.1
251.07104	0.5
253.10660	0.8
255.06206	2.2
255.08620	3.9
255.40598	0.5
257.08157	0.7
263.09235	1.4
265.08722	0.5
265.12265	0.7
267.06564	1.1
267.10147	1.0
267.13812	0.9
277.12265	2.3
279.10126	0.6
281.11716	1.1
283.09683	2.0
291.10062	1.7
295.13239	1.5
309.11200	1.8
311.09052	2.0
315.91479	0.6
325.10315	0.5
327.12228	18.4
328.12585	1.5
337.14172	0.7
341.13837	0.7
355.11697	12.6
355.15488	2.0
356.12054	1.1
373.12692	6.2
373.16895	2.5
374.13144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12094	3.4
55.05507	19.6
57.03426	3.6
57.07061	6.5
66.11810	3.9
67.05507	21.9
68.73821	3.8
69.07061	12.3
69.78155	8.3
69.78519	8.4
70.21314	3.3
74.04845	3.7
79.05480	21.7
79.39330	3.8
81.03406	14.4
81.07056	38.9
83.04935	6.5
83.08620	7.0
85.06546	5.4
87.04462	4.9
88.07623	6.4
90.52891	3.7
91.05478	27.0
93.07030	30.1
95.04974	12.2
95.08598	42.1
97.06531	5.5
97.36770	3.8
98.22709	5.8
105.07018	45.1
107.08588	29.3
109.10137	17.3
111.04440	4.1
115.05449	4.7
117.07011	11.3
118.96869	3.6
119.08560	36.8
121.06502	7.9
121.10149	19.3
123.08067	5.1
123.11706	6.3
125.09604	4.0
127.03880	11.2
128.06250	4.9
129.06995	6.1
131.08553	20.5
133.10123	20.7
135.08047	3.6
135.11668	9.2
141.06998	3.9
142.07758	14.2
143.08549	23.5
145.10107	97.5
145.57590	3.6
146.10378	4.1
147.11658	12.1
149.13312	8.1
155.08556	15.5
156.09326	11.0
157.10109	32.9
158.10838	5.8
159.11676	39.2
160.57092	3.3
161.09650	5.0
161.13231	4.8
163.14754	4.9
167.08525	6.3
168.09346	8.5
169.10123	26.6
170.10846	15.7
171.11690	24.5
172.12398	12.9
173.09674	6.5
173.13254	7.0
174.69258	3.8
179.08525	8.8
180.09296	6.5
181.10063	21.4
182.10860	5.3
183.11691	30.5
185.09625	6.2
185.13249	17.8
186.13908	5.8
187.11183	4.9
187.14804	100.0
188.15175	5.6
192.09383	6.6
193.10083	15.0
194.10869	8.2
195.11624	16.4
196.12482	9.3
197.09575	4.5
197.13280	28.0
198.13937	6.9
199.14853	9.0
201.12602	4.9
203.14359	6.9
206.10915	4.0
207.11652	23.0
209.13223	15.2
211.11151	9.0
211.14789	32.7
213.12633	9.5
213.16403	8.7
215.10689	7.2
219.11795	9.0
220.12497	8.1
221.13289	10.6
222.14096	5.3
223.14796	20.4
225.12875	8.6
225.16367	11.2
227.14221	4.8
229.15787	5.9
234.14070	9.0
235.14775	24.1
236.15427	6.5
237.16325	6.2
239.10641	6.3
239.17992	6.9
241.15852	9.3
249.16324	22.0
251.17899	11.3
253.15788	6.8
265.12451	3.9
267.17337	19.6
268.76520	3.8
269.18933	24.7
275.10910	3.6
277.15775	6.8
285.18460	5.9
291.16888	4.5
295.16931	46.7
312.32672	4.4
313.17944	81.6
331.18896	5.3
343.08066	40.2
355.18900	8.6
355.30087	5.1
358.10602	6.7
373.12854	59.2
373.20044	50.8
373.30984	13.0
374.36066	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	373.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12213	1.1
53.03944	1.9
55.01876	3.7
55.05510	9.7
57.03436	2.0
57.07080	2.7
60.14571	1.1
63.69175	1.0
65.03944	3.6
65.54969	1.1
67.05506	14.8
68.99811	1.4
69.03429	4.0
69.07070	7.3
69.93317	3.5
77.03934	1.6
79.05486	22.6
80.30068	1.1
80.70006	1.2
81.03414	12.9
81.07051	16.5
83.04977	8.3
85.02920	1.9
91.05476	24.8
93.03408	1.9
93.07044	26.2
95.04964	8.6
95.08607	19.4
97.02900	6.4
97.06519	5.7
101.02379	2.6
103.05483	2.0
104.06293	1.2
105.04486	1.4
105.07031	28.8
107.04941	3.2
107.08596	17.3
109.02901	2.9
109.06513	4.8
109.10182	7.0
111.04443	23.1
115.05471	3.4
116.06226	2.0
117.07021	9.9
119.04939	2.2
119.08582	41.4
120.08848	1.5
121.06531	5.5
121.10144	26.9
123.08070	5.4
125.02344	2.8
125.06002	17.3
127.03921	9.2
128.06204	5.7
129.07008	8.4
130.07777	3.5
131.08559	22.1
133.06488	4.1
133.10133	19.6
135.08076	4.6
135.11734	3.5
137.05992	2.3
137.09605	3.4
141.07018	5.8
142.07776	10.0
143.08553	19.7
144.09355	6.9
145.06488	2.8
145.10121	63.5
146.10512	2.8
147.08051	6.5
147.11684	9.0
149.06055	1.2
149.09628	14.7
150.10396	2.1
151.07567	2.3
151.11136	1.6
153.05470	2.3
153.06973	2.7
154.07764	4.1
155.08533	12.5
156.09329	14.9
157.10120	30.9
158.10884	6.5
159.08069	7.2
159.11684	35.3
160.12453	2.0
161.09694	6.7
161.13268	4.5
163.07608	2.7
163.11209	5.0
165.07007	4.6
165.09137	5.1
166.07813	4.3
167.08607	9.2
168.09322	5.0
169.10132	21.9
170.10904	13.3
171.08067	2.0
171.11681	27.2
172.12466	9.4
173.09621	7.3
173.13304	9.0
174.10417	1.8
175.07564	3.6
175.11224	3.5
175.14880	3.2
177.09091	5.1
177.12691	1.4
178.07806	2.5
179.08543	8.7
180.09325	4.6
181.10107	18.0
182.10883	10.5
183.07935	1.6
183.11676	29.0
184.12302	2.8
185.09665	5.9
185.13243	14.9
186.10362	1.7
187.07547	2.2
187.11238	6.9
187.14812	68.6
188.11850	2.8
188.15340	4.7
189.09100	3.0
189.12778	2.4
191.08517	1.4
192.09294	8.9
193.10124	14.5
194.10971	5.4
195.11691	15.9
196.08878	2.2
196.12424	9.1
197.09633	4.2
197.13257	26.7
198.10347	1.4
198.13979	9.6
199.11180	5.1
199.14867	5.6
201.09071	3.6
201.12790	3.1
201.16537	1.3
203.10670	3.0
203.14319	5.2
205.10176	4.7
205.15936	2.8
206.10881	5.8
207.11690	21.0
208.12399	7.6
209.09773	2.3
209.13254	14.6
210.10435	1.7
210.13989	2.9
211.11319	9.1
211.14832	23.2
212.15251	1.8
213.09145	3.0
213.12735	5.8
213.16379	3.7
214.13649	1.6
215.10643	4.3
215.14217	6.0
216.14981	2.7
217.12318	1.4
219.11812	7.0
220.08969	1.4
220.12474	11.7
221.09535	1.6
221.13232	14.2
222.14003	4.0
223.11320	1.9
223.14792	17.1
223.16840	1.8
224.11809	1.6
224.15254	2.9
225.08994	1.7
225.12798	8.1
225.16324	9.6
227.14299	2.9
229.12245	3.6
229.15919	5.0
231.10219	3.1
233.13411	1.7
234.14032	10.7
235.11185	2.5
235.14806	16.4
236.15573	4.0
237.12778	2.8
237.16335	3.9
238.13356	1.5
239.10634	4.9
239.14299	4.5
239.17958	8.0
240.15198	1.3
241.12201	2.6
241.15930	4.1
243.10150	2.0
243.17458	1.4
249.16382	22.2
250.16870	1.4
251.10487	1.3
251.17947	6.5
252.15152	1.8
253.12169	7.6
253.15959	6.5
255.13850	1.8
257.11749	4.5
257.15408	3.6
262.13541	2.4
266.12933	1.9
267.13794	2.9
267.17462	18.1
269.15762	1.7
269.18985	15.9
271.13446	2.8
271.16956	4.0
277.15866	8.3
280.14630	4.0
283.16919	3.5
285.15503	1.4
285.18463	7.6
285.71359	1.4
295.16928	53.6
296.17166	2.9
313.17960	100.0
314.18280	8.3
329.21173	1.4
331.19016	12.5
343.08365	2.0
355.19046	4.7
373.12631	4.0
373.20044	36.1
374.20340	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.6
67.05506	9.0
69.07069	12.0
69.11665	8.9
69.12083	18.0
79.05502	8.8
81.07047	20.7
83.04990	5.9
85.02898	7.3
91.05495	13.6
93.07045	12.1
95.04945	8.6
95.08598	20.2
97.02866	4.2
98.22678	8.8
105.07029	20.8
107.08591	13.2
117.06969	9.3
119.08558	29.1
120.11645	4.3
121.06445	5.8
121.10172	5.2
125.02316	4.1
127.03902	7.2
128.06233	5.6
129.07001	5.7
130.07817	8.7
131.08554	17.2
133.10126	16.6
141.07063	6.8
142.07840	10.5
142.12421	5.5
143.08554	20.5
144.09325	5.4
145.10103	72.7
147.11736	5.4
155.08540	12.8
156.09340	9.3
157.10129	25.8
159.11684	21.5
165.07057	8.0
165.71246	4.9
166.07822	4.4
167.08508	4.8
168.09381	4.6
169.10152	21.7
170.10941	12.5
171.11713	29.7
172.12473	13.0
173.09633	6.3
173.13287	10.4
175.11070	6.1
179.08571	10.2
181.10065	16.6
182.10916	8.2
183.11732	24.6
185.09657	7.4
185.13271	13.8
187.11214	6.7
187.14819	100.0
188.15430	7.1
189.12726	4.8
193.10114	14.6
194.10927	5.2
195.11694	20.5
196.12427	12.1
197.09717	8.2
197.13306	27.2
198.13963	6.0
199.11111	6.1
199.14911	5.3
203.14597	5.0
205.10034	4.7
207.11761	26.5
209.13271	19.3
210.13966	9.4
211.11240	10.3
211.14816	28.0
213.12761	7.6
219.11670	6.2
220.12445	10.8
221.13240	17.1
223.14819	19.0
225.12654	8.1
225.16434	14.5
234.14043	11.0
235.11150	7.3
235.14772	18.8
236.15350	7.0
239.10706	9.2
239.14420	6.9
239.17834	7.1
241.15976	7.4
249.16386	15.9
251.17963	9.5
253.12067	7.4
253.15926	11.7
267.17374	31.4
269.18878	24.9
277.16052	8.3
283.16833	6.4
295.16867	52.9
313.17947	95.9
314.18475	10.6
355.18939	12.6
373.12860	6.1
373.19901	37.3
374.20169	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	373.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.5
52.68733	0.3
53.03920	1.1
55.01849	1.7
55.05506	6.5
57.03410	1.4
57.07072	2.5
59.04975	0.5
59.47208	0.3
65.03928	1.9
67.05498	12.3
67.74825	0.3
69.03423	7.4
69.07059	5.9
69.29472	1.7
71.04964	1.3
77.03922	1.2
79.05038	0.6
79.05482	8.1
80.06213	0.4
81.03407	30.6
81.07048	11.6
83.01334	0.7
83.04971	4.9
83.08603	2.0
85.02868	1.3
85.06512	1.1
87.00822	0.4
91.05465	18.0
92.05774	0.5
93.07034	18.0
94.07310	0.5
95.04958	7.0
95.08592	19.8
97.02881	17.8
97.06520	4.2
99.04417	1.2
102.35436	0.4
103.05445	1.4
105.04504	1.1
105.07018	23.1
106.07320	0.4
107.04933	1.4
107.08577	11.1
109.02861	3.2
109.06506	6.9
109.10135	4.1
111.04434	7.1
111.08060	1.0
113.05976	0.4
115.05425	2.0
116.06203	1.2
117.07010	7.2
119.04920	1.9
119.08566	38.1
120.08881	1.3
121.02821	1.1
121.05699	0.5
121.06493	5.4
121.10133	11.8
122.07233	0.5
123.04404	1.5
123.08057	5.2
123.11646	0.9
125.02337	1.0
125.05988	3.2
127.03899	16.1
128.06186	4.5
129.05457	0.5
129.06998	7.2
130.07094	0.3
130.07799	3.3
131.08554	17.5
132.08977	0.5
133.06482	2.3
133.10110	18.7
134.10402	0.4
135.08043	19.0
135.11665	2.0
136.08342	0.4
137.02312	0.4
137.05931	1.6
137.09578	1.5
139.03886	2.4
139.07526	1.5
141.05402	0.7
141.06979	5.8
142.07759	10.9
143.08548	17.0
144.09354	4.5
145.06485	2.6
145.10106	39.2
146.07281	1.1
146.10492	1.6
147.04369	0.8
147.08026	5.9
147.11670	16.3
147.12845	0.8
148.12068	0.6
149.05907	1.3
149.09587	4.7
149.13210	1.0
151.03859	0.5
151.07492	1.2
152.06206	0.5
153.05429	3.3
153.06964	2.2
154.07767	3.2
155.08531	13.0
156.09329	13.3
157.05011	1.9
157.06432	0.8
157.10112	30.7
158.07228	2.1
158.10873	4.7
159.08046	10.2
159.11674	21.2
159.12750	0.3
160.08798	3.4
160.12184	0.9
161.06004	0.5
161.09596	11.2
161.13193	2.7
162.10091	0.6
163.07492	1.4
163.11153	1.4
165.05554	0.8
165.06958	3.2
165.09114	1.8
166.07735	2.2
167.07135	0.6
167.08514	7.4
168.09335	4.6
169.10103	21.3
170.07253	0.7
170.10890	18.4
171.06502	1.5
171.08017	3.2
171.11665	28.2
172.08824	4.0
172.12419	6.0
173.09601	21.9
173.13232	14.0
174.10365	3.6
174.13905	1.6
175.07550	0.7
175.11177	9.3
175.14796	4.1
176.11723	0.6
177.09088	1.9
178.07735	1.9
179.07076	0.7
179.08510	4.9
180.09344	2.3
181.10101	19.7
182.07298	0.5
182.10883	6.4
183.08124	2.4
183.11665	24.2
184.08784	0.7
184.12424	3.9
185.09616	12.4
185.13222	17.3
186.10326	4.4
186.13986	4.0
187.07593	0.9
187.11169	17.0
187.14784	28.2
188.11911	4.6
188.15346	2.1
189.09126	2.8
189.12703	4.9
189.16376	0.6
191.07002	0.6
191.08551	1.3
191.10638	1.5
192.09303	3.6
193.08571	0.9
193.10098	13.9
194.10849	4.1
195.08051	1.4
195.11659	9.1
196.08807	2.4
196.12442	16.8
197.09592	5.0
197.13217	18.4
198.10304	0.7
198.13991	4.5
199.06006	3.4
199.07593	0.6
199.11131	4.0
199.14789	4.2
200.11957	2.7
201.09106	2.4
201.12711	11.5
201.16342	1.8
202.13275	0.6
203.10640	7.7
203.14253	5.8
204.11021	0.6
204.14938	0.9
205.10121	4.1
205.15816	3.9
206.10884	4.3
207.11668	14.6
208.12421	3.1
209.09723	2.7
209.13219	8.1
210.10422	1.9
210.13974	3.2
211.11368	10.0
211.14783	52.1
212.11749	1.5
212.15202	4.4
213.07285	1.8
213.09283	3.3
213.12834	2.4
213.16341	7.7
214.13490	1.7
214.16687	0.6
215.10942	3.8
215.14285	20.9
216.15021	3.7
217.08511	1.3
217.12201	0.6
217.15779	4.1
217.57866	0.4
219.10040	1.2
219.11874	3.4
220.12451	9.8
221.09879	0.5
221.13217	11.4
222.13701	1.7
223.11212	2.9
223.14743	3.5
224.11967	1.9
224.15454	1.0
225.09271	0.7
225.12762	6.9
225.16330	9.7
226.13371	0.7
226.16878	0.8
227.10649	1.4
227.14296	1.6
227.17851	0.8
229.08525	0.6
229.12317	4.8
229.15828	15.3
230.16139	0.8
231.10138	20.0
232.10371	0.9
233.13249	1.0
233.15279	0.9
234.13992	4.6
235.11026	1.3
235.14781	23.9
236.15430	4.9
237.12703	1.7
237.16299	1.7
238.13480	2.4
239.10698	3.0
239.14262	3.7
239.17914	6.0
240.18115	0.4
241.12175	1.3
241.15935	0.5
241.19543	0.5
243.10150	1.5
243.13742	1.6
243.17427	1.0
245.11713	0.9
247.11066	0.9
249.11047	1.1
249.16347	11.3
250.16698	0.9
251.10599	1.3
251.14258	0.9
251.17885	0.9
252.11317	0.8
252.15050	1.3
253.12218	6.5
253.15826	9.3
254.12610	0.8
254.16367	0.8
255.10115	0.5
255.13727	1.2
255.17441	0.7
256.14536	0.4
257.11691	10.2
257.15378	1.5
257.19022	0.6
258.12137	1.1
259.14807	0.5
262.13470	1.0
265.12149	1.5
265.15759	0.7
266.12949	3.1
267.13797	3.2
267.17410	11.9
268.17838	1.0
269.11688	1.5
269.15302	2.6
269.18768	0.9
270.12534	1.4
271.13266	5.1
271.16852	2.5
277.15906	3.5
279.12186	0.5
280.14557	3.7
282.08444	0.4
283.13214	1.6
284.13934	1.7
285.14835	10.5
285.18439	11.8
286.15356	0.4
286.18811	0.9
295.16898	25.7
296.17462	2.3
298.15579	2.5
311.16260	0.9
313.17932	100.0
314.18256	8.3
331.18924	5.9
332.19366	0.6
343.08041	1.2
359.98419	0.4
373.12521	1.8
373.20035	63.5
374.20404	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	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.9
57.07077	3.2
67.05501	17.9
68.14349	2.6
68.99780	5.9
69.03423	8.0
69.07056	8.7
69.18959	9.2
69.19383	10.4
70.06589	7.7
71.04991	5.8
79.05474	5.5
81.03394	4.0
81.07058	20.6
83.04975	10.5
83.07354	3.6
83.08607	8.1
85.02908	9.0
86.06060	17.3
91.05466	7.3
93.07042	7.8
94.06599	3.2
95.04970	5.3
95.08602	26.1
98.06043	4.0
98.51715	3.0
99.08054	4.5
103.05460	19.5
104.05769	5.3
105.07027	10.3
107.04943	4.6
107.08587	24.9
109.02840	5.7
109.06522	11.9
109.10153	96.3
110.06062	5.0
110.10442	4.2
111.04425	2.7
111.08062	4.8
114.07444	2.6
117.45163	2.6
119.04955	4.0
119.08588	35.6
121.06517	3.2
121.10123	11.6
122.06029	4.9
123.08012	13.6
123.11709	6.2
128.07086	7.3
131.04924	52.5
132.05249	18.0
133.10133	21.6
135.11690	100.0
136.12053	5.1
137.09615	11.6
139.11217	3.0
147.04419	6.2
149.13280	6.6
151.11203	8.7
151.14807	10.7
162.05557	3.4
175.14816	41.0
179.08725	3.0
181.01434	3.0
190.04951	3.0
191.03487	4.6
191.05286	4.5
193.15880	66.0
193.17563	5.6
194.16142	4.3
195.02919	5.0
203.03284	3.9
204.03047	4.0
205.03226	10.1
205.06737	4.4
207.02846	8.0
208.06078	4.9
209.06332	3.3
210.07506	4.9
211.16888	47.5
221.04280	4.3
223.02396	4.5
224.06366	6.8
233.06404	5.8
234.04689	3.6
236.05559	17.2
250.07051	5.6
251.07487	5.8
269.02750	4.1
308.09738	7.8
309.09509	9.3
313.12411	4.6
321.38690	3.0
327.08548	3.1
337.12817	6.0
355.08423	4.2
355.13663	11.7
356.11475	7.5
373.14740	20.2
374.12302	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2811
Annotation	Lys Ile Leu
Peak:m/z	Relative Intensity
55.05503	0.8
56.05030	3.2
58.07870	0.3
67.05489	0.8
69.03423	0.6
69.07050	0.4
70.06590	1.8
72.08148	5.2
81.00047	0.3
82.06576	0.5
84.04501	0.9
84.08138	100.0
85.06503	0.8
85.08456	1.9
86.09701	17.8
87.10108	0.3
94.06593	0.5
96.08118	0.8
97.02894	0.6
101.10765	4.5
102.09176	0.5
103.03973	0.7
106.06592	0.6
111.04444	0.4
111.09221	0.9
112.07635	0.5
115.08809	0.4
119.04910	0.4
121.02889	1.1
124.03941	0.6
126.01087	1.7
127.07178	0.4
128.02650	0.4
129.10231	61.6
130.08681	0.9
130.10583	1.1
132.10234	0.5
144.05055	1.3
144.06540	0.6
145.02782	0.5
146.11754	0.3
147.11317	1.1
149.75932	0.4
152.03188	0.6
152.14345	1.3
157.13382	0.5
161.09299	0.8
169.08197	0.7
177.05420	1.0
179.15402	0.4
181.17046	0.5
194.08154	0.7
197.16484	4.8
199.07614	1.1
199.18073	1.2
199.96686	0.3
212.05878	0.5
213.07205	0.7
214.19319	0.5
221.05266	0.5
224.17552	2.3
225.16025	1.3
227.07143	0.6
227.17471	0.4
228.17088	0.6
231.08366	0.4
242.18610	6.7
244.09705	5.0
245.18573	1.8
254.07031	0.5
259.89560	0.4
260.19678	2.9
269.08417	0.4
280.94257	0.4
332.95541	0.4
355.12817	0.6
355.27011	0.4
356.25452	0.8
373.14059	6.2
373.18414	6.9
373.28116	18.3
374.14276	0.4
374.18741	0.8
374.28409	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.05504	29.6
57.07066	9.7
57.33356	2.2
59.85244	2.6
61.64083	2.5
62.11291	2.0
65.03963	3.5
67.05505	43.0
69.03408	3.4
69.07063	31.5
69.41943	5.8
69.42348	8.9
70.06578	7.1
71.04978	6.9
71.08621	3.5
79.05486	29.2
79.49612	2.3
81.07050	100.0
83.04979	33.3
83.08612	13.6
85.06544	3.8
87.04435	4.4
88.07628	3.9
91.05470	20.2
93.07034	66.7
93.07608	4.2
95.04964	94.4
95.08595	99.8
97.06514	13.7
97.10165	9.1
98.23418	4.2
102.09155	3.3
105.07014	49.0
107.08578	79.1
109.06519	22.8
109.10147	61.9
111.08057	13.6
111.11704	4.8
117.07026	6.9
119.08576	53.5
121.10136	54.2
123.08079	5.0
123.11703	31.8
125.09644	5.8
127.11206	5.4
129.06979	3.3
131.08580	10.6
133.10123	34.0
134.10506	2.7
135.08067	3.1
135.11682	38.4
137.09663	5.5
137.13257	10.2
139.11153	3.3
143.08490	4.9
145.10085	20.7
147.11690	30.5
149.09657	2.8
149.13223	29.1
151.11189	3.6
153.12782	7.4
157.10156	5.5
159.11652	27.2
161.13280	19.4
163.14818	12.7
165.12761	7.1
171.11671	4.7
173.13278	15.8
175.13541	2.4
175.14769	12.7
177.16373	6.9
179.17860	2.6
185.13275	5.3
187.14786	13.2
189.16379	15.4
191.17964	4.6
193.15851	3.4
199.14822	5.8
201.16389	8.1
203.17946	9.5
211.14896	5.0
213.16409	7.2
215.17944	8.7
227.17978	4.2
233.18918	2.6
245.19177	2.6
245.22527	2.6
255.21028	3.5
257.22549	5.9
269.22754	6.0
312.32590	9.0
313.17810	3.5
337.28931	6.6
343.08020	15.1
344.08481	3.6
355.29901	25.2
373.12729	26.4
373.30963	66.6
373.35086	5.5
374.13074	3.1
374.31808	4.3
374.36285	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	373.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.05509	15.2
55.18085	1.7
57.07064	5.4
66.92689	2.1
67.05502	22.5
68.05838	2.3
69.07068	15.2
70.06577	3.5
71.08678	3.1
79.05488	12.4
81.07053	64.3
83.04979	16.3
83.08625	9.3
85.06544	2.9
87.04469	2.4
88.07627	3.4
91.05489	8.3
93.07039	24.3
95.04963	100.0
95.08596	44.3
96.05348	2.1
97.06523	12.6
97.10153	6.7
99.08090	3.6
105.07021	20.2
107.08576	24.6
109.06503	9.6
109.10139	30.4
111.08090	3.8
111.11719	3.9
119.08567	21.1
121.10135	20.5
123.11716	16.8
125.09650	3.4
131.08562	4.3
133.10156	13.0
135.08029	2.2
135.11659	11.5
137.13284	4.5
145.10126	8.8
147.11682	10.0
147.90602	2.1
149.13235	14.5
151.11188	2.5
157.10168	2.1
159.11700	11.5
159.30530	1.9
161.13249	7.1
163.07610	2.2
163.14824	8.2
165.12755	3.1
165.16339	1.9
171.11633	2.1
173.13229	6.0
174.03253	2.0
175.14841	2.9
177.16382	4.4
183.02867	2.5
187.14851	6.3
189.16344	4.0
199.14870	2.1
201.16370	4.2
203.17999	4.9
211.02303	2.4
213.16350	2.8
215.17928	4.7
227.17853	2.4
229.19203	3.4
275.23584	2.4
299.05743	3.4
300.06067	3.4
312.09726	4.8
312.32632	4.1
315.08554	4.7
328.05646	3.0
329.10068	2.5
337.62109	2.3
343.03986	2.5
343.08118	36.4
344.08301	2.2
344.37912	1.9
355.29858	14.2
357.09439	3.2
358.10352	6.4
373.12781	42.8
373.17316	4.0
373.30939	28.6
374.13025	5.4
374.31931	2.3
374.36169	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	374.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01865	1.1
57.03419	2.6
58.39922	0.6
58.46463	0.6
66.37936	0.5
67.05486	1.7
68.99781	2.5
69.03424	1.0
69.85576	2.0
70.06588	9.4
79.05506	4.3
81.07056	1.1
83.01318	0.9
89.40021	0.6
91.05478	7.0
93.03350	0.7
93.07047	0.6
95.04960	5.0
97.02900	1.0
97.06512	2.5
103.05470	3.6
104.05803	1.2
105.03378	2.3
106.06510	0.8
107.04950	7.4
109.02872	1.5
109.06496	2.4
110.03168	0.7
110.06003	0.6
119.04947	8.6
123.04435	3.3
124.07655	0.8
125.05962	1.9
127.03836	0.7
129.07030	0.6
131.04941	5.3
132.05247	2.8
135.04424	5.5
137.02301	1.8
137.05962	5.0
138.05478	1.0
146.05977	0.9
147.03325	0.7
147.04417	8.7
149.05984	1.4
151.03906	1.6
153.05428	0.9
159.04469	0.7
163.03914	7.2
165.01884	1.7
165.05450	1.9
167.07008	0.8
167.93614	0.7
168.06569	0.8
169.01328	2.2
169.05087	0.7
174.05446	0.8
175.03900	13.3
176.04227	0.7
177.05458	2.0
179.03331	3.0
181.01349	4.4
183.02861	1.8
185.00932	0.7
187.03894	11.2
192.06502	1.6
193.01297	0.8
193.04965	13.4
195.02914	4.3
195.04428	0.7
195.06535	2.8
199.02351	1.6
202.04947	1.9
203.03438	5.4
206.01947	0.7
207.02853	0.8
209.04439	6.4
211.02365	1.4
211.07608	0.6
215.03433	0.8
220.06091	4.3
221.04446	100.0
222.04823	4.2
225.09129	0.6
236.05511	1.2
238.07103	16.1
239.05382	4.2
239.07558	0.9
246.35149	0.6
253.08603	2.7
255.06444	1.0
265.08496	1.2
267.06769	0.7
269.04449	5.0
283.06052	2.2
283.09259	0.7
287.05511	0.7
293.08017	1.9
310.04587	1.6
311.05481	1.7
311.09122	4.7
313.07040	2.3
315.08582	1.1
321.07556	3.5
327.08646	0.7
338.10358	1.8
339.08621	24.4
340.09094	1.5
345.09634	0.8
356.11285	19.7
357.09601	7.8
358.10077	0.7
374.12326	60.7
375.12714	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	374.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
56.05034	0.7
56.70110	0.4
57.57294	0.4
58.06601	5.8
59.07379	4.8
60.08157	0.6
65.03946	0.6
68.99794	1.0
69.03424	1.8
69.07062	0.7
70.06596	4.3
71.42904	0.6
73.22156	0.4
81.03414	1.0
81.56389	0.5
83.03735	0.9
84.04500	6.6
85.02896	2.4
86.06059	1.1
86.09702	24.9
87.00836	1.0
87.04464	16.5
87.10031	1.3
91.05478	6.2
95.01318	1.0
97.02879	0.7
98.06050	57.1
99.04440	0.7
99.06371	0.9
102.05536	3.3
105.01875	1.3
109.02885	0.9
111.03180	1.9
112.03967	0.6
119.04936	3.0
123.00756	0.8
124.03918	0.6
126.01890	0.6
126.05512	41.0
127.03884	1.5
127.05837	0.7
129.06590	0.8
132.10196	6.6
134.80853	0.5
137.06050	0.8
138.01791	0.6
138.05502	0.7
139.02641	1.0
140.03409	10.3
140.07036	2.5
141.06537	0.7
145.04980	0.9
147.04398	11.2
151.03877	1.1
166.04970	1.6
167.01086	0.3
167.02129	14.9
168.02913	50.3
168.06544	2.4
169.03290	1.7
170.11685	1.0
180.06522	0.7
183.15712	0.6
184.06090	1.2
185.03180	6.1
194.04543	1.9
195.02867	4.8
197.12834	4.1
208.06050	0.6
210.14830	0.9
211.15291	1.1
212.05522	10.5
215.13911	7.0
225.12341	0.9
236.05521	100.0
237.05899	4.5
243.13368	4.5
254.06546	0.8
287.07935	1.5
288.08658	9.5
289.08801	0.8
310.58981	0.6
314.10114	0.7
315.08615	1.2
356.11276	36.7
357.11606	2.1
374.12173	16.5
374.16043	14.5
375.12228	1.1
375.16470	0.9
377.44119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01865	1.1
57.03419	2.6
58.39922	0.6
58.46463	0.6
66.37936	0.5
67.05486	1.7
68.99781	2.5
69.03424	1.0
69.85576	2.0
70.06588	9.4
79.05506	4.3
81.07056	1.1
83.01318	0.9
89.40021	0.6
91.05478	7.0
93.03350	0.7
93.07047	0.6
95.04960	5.0
97.02900	1.0
97.06512	2.5
103.05470	3.6
104.05803	1.2
105.03378	2.3
106.06510	0.8
107.04950	7.4
109.02872	1.5
109.06496	2.4
110.03168	0.7
110.06003	0.6
119.04947	8.6
123.04435	3.3
124.07655	0.8
125.05962	1.9
127.03836	0.7
129.07030	0.6
131.04941	5.3
132.05247	2.8
135.04424	5.5
137.02301	1.8
137.05962	5.0
138.05478	1.0
146.05977	0.9
147.03325	0.7
147.04417	8.7
149.05984	1.4
151.03906	1.6
153.05428	0.9
159.04469	0.7
163.03914	7.2
165.01884	1.7
165.05450	1.9
167.07008	0.8
167.93614	0.7
168.06569	0.8
169.01328	2.2
169.05087	0.7
174.05446	0.8
175.03900	13.3
176.04227	0.7
177.05458	2.0
179.03331	3.0
181.01349	4.4
183.02861	1.8
185.00932	0.7
187.03894	11.2
192.06502	1.6
193.01297	0.8
193.04965	13.4
195.02914	4.3
195.04428	0.7
195.06535	2.8
199.02351	1.6
202.04947	1.9
203.03438	5.4
206.01947	0.7
207.02853	0.8
209.04439	6.4
211.02365	1.4
211.07608	0.6
215.03433	0.8
220.06091	4.3
221.04446	100.0
222.04823	4.2
225.09129	0.6
236.05511	1.2
238.07103	16.1
239.05382	4.2
239.07558	0.9
246.35149	0.6
253.08603	2.7
255.06444	1.0
265.08496	1.2
267.06769	0.7
269.04449	5.0
283.06052	2.2
283.09259	0.7
287.05511	0.7
293.08017	1.9
310.04587	1.6
311.05481	1.7
311.09122	4.7
313.07040	2.3
315.08582	1.1
321.07556	3.5
327.08646	0.7
338.10358	1.8
339.08621	24.4
340.09094	1.5
345.09634	0.8
356.11285	19.7
357.09601	7.8
358.10077	0.7
374.12326	60.7
375.12714	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
54.75618	1.0
55.01852	2.6
55.41203	1.1
56.05033	1.2
57.03436	2.3
58.36404	1.1
64.28889	1.0
65.03931	3.7
68.99771	1.2
69.03426	20.0
69.07057	2.3
70.06567	2.2
71.04977	3.5
72.08153	1.9
81.03412	11.5
83.01343	1.9
84.04496	12.7
84.08141	2.7
85.02895	19.2
86.06062	1.6
86.09696	83.1
87.00824	14.7
87.04456	2.2
87.10003	2.9
91.05472	100.0
91.91143	1.1
92.05800	3.1
93.56854	0.9
97.02882	35.2
98.23478	2.1
99.04453	8.6
102.05528	9.1
105.01865	11.8
108.33369	1.1
109.02863	4.6
111.04420	1.4
114.05521	1.6
115.03896	1.2
119.04878	1.3
121.02859	26.9
121.03815	1.5
122.03182	12.6
127.03902	36.9
129.06601	4.3
132.10184	11.3
137.02322	2.4
137.06000	1.1
143.03386	1.4
145.04945	24.9
147.04384	3.2
148.06018	2.5
161.05974	1.6
170.11739	1.9
171.02948	1.6
179.06998	5.8
192.94205	1.1
197.12852	7.0
199.18039	12.8
215.13901	12.3
225.12271	2.7
227.17491	6.1
230.17430	1.5
231.04961	18.6
242.15063	1.7
243.13383	3.3
249.05966	7.3
261.14371	2.2
284.09955	2.3
328.12427	2.6
356.12253	5.5
374.13034	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	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01880	3.0
57.03440	2.5
61.02929	3.6
65.03944	2.5
68.99786	0.8
69.03062	1.1
69.03429	14.1
69.06037	3.7
70.28175	0.5
71.04992	2.0
72.08157	1.5
73.02918	3.4
81.03416	10.4
84.04494	1.3
85.02903	45.9
86.09703	4.1
87.00830	20.1
87.04463	0.8
91.05478	100.0
92.05804	3.1
97.02891	15.9
99.04448	5.6
105.01864	25.7
105.07023	1.8
108.04489	2.4
109.02875	12.5
115.02278	0.5
115.03934	1.0
117.01855	1.5
117.07026	0.9
126.05521	1.0
127.03911	31.9
128.02515	0.5
129.01830	1.7
129.07016	1.0
132.10220	1.5
133.06474	1.7
142.81470	0.5
143.03363	0.6
145.04958	15.8
145.06346	1.0
147.02899	1.6
147.04504	0.6
151.03900	0.8
152.75311	0.6
157.06511	0.9
159.02859	6.7
161.56709	0.5
171.08057	0.7
175.07594	1.6
181.06519	1.3
182.64594	0.5
189.03964	1.7
195.06584	0.7
199.07567	2.2
199.35495	0.6
213.03966	1.4
215.13916	1.9
217.08636	1.5
230.06709	0.9
231.05016	7.7
235.09528	0.7
248.07597	1.3
249.06114	1.3
284.10004	0.8
321.09647	0.9
330.13071	0.6
356.11893	1.3
374.12839	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52309	1.5
71.40569	2.4
71.40950	1.9
72.08159	2.0
81.03403	3.4
84.08140	22.6
85.02893	3.8
85.08479	7.5
86.09711	1.8
93.01614	1.9
95.04973	2.5
103.05476	30.1
127.03935	5.2
131.04926	100.0
132.05284	3.0
137.05949	2.6
147.04419	2.6
163.03905	3.1
163.07521	36.8
165.06985	2.7
175.12282	1.9
181.85956	1.7
195.02930	4.5
221.06059	5.8
227.08440	6.2
228.08820	8.1
237.05428	3.2
265.04813	2.9
283.05930	2.9
293.04593	9.1
311.16202	8.5
321.03897	11.0
333.04453	1.8
356.11270	2.6
357.06140	2.5
374.08444	2.8
374.12610	3.0
374.14447	2.1
374.19366	22.2
375.12448	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1598
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
55.01870	2.3
55.05510	3.9
56.05037	11.6
57.03448	1.2
62.99513	1.1
67.05501	3.0
70.06590	3.1
71.01340	1.1
79.05499	2.8
80.05026	2.1
81.03416	1.2
81.07037	1.2
82.06574	15.0
83.07362	2.2
84.08140	48.0
91.05482	4.2
94.06564	4.4
95.04970	2.4
96.08127	1.3
97.02881	1.2
98.09674	2.9
100.07613	27.4
100.08241	2.1
102.44189	1.1
103.05463	33.2
105.07038	1.7
107.04930	5.8
108.04468	1.7
108.08163	2.1
110.06041	83.4
110.62276	1.1
111.00797	3.1
112.07587	6.9
114.09148	1.1
115.05444	6.5
116.07073	1.3
117.01872	3.7
117.07014	6.0
120.08111	1.6
121.06506	30.9
122.06023	14.4
124.07598	4.5
125.02347	3.6
126.05473	1.7
126.09153	4.7
128.03416	1.3
128.07065	1.1
131.04921	100.0
132.05316	4.7
133.06506	5.5
136.07581	12.8
138.09128	2.1
140.07086	2.5
140.10704	4.1
141.02710	1.2
141.07018	2.7
142.05003	2.6
142.08630	91.6
143.03403	1.8
143.04927	3.3
143.09026	2.0
145.01295	2.2
147.04433	2.0
147.08020	3.2
148.07579	2.2
150.05524	1.8
152.07054	10.1
153.05481	2.4
154.08623	4.7
158.28958	1.1
164.07019	9.0
165.07817	2.5
166.08620	8.9
168.10165	5.7
169.06485	2.5
170.08134	5.7
171.04358	2.2
176.07069	1.5
178.08681	1.4
180.10182	2.1
182.08141	12.5
184.09711	1.2
186.11316	2.4
189.05447	6.0
192.06563	4.4
194.08144	4.2
196.09711	6.1
197.05917	2.4
198.11227	6.9
200.09207	1.4
203.07047	2.7
205.08661	1.2
208.09627	2.0
210.07533	2.6
212.09200	2.6
214.10806	1.9
215.07021	21.3
217.05052	1.6
224.09143	7.3
226.10730	2.4
229.08585	27.6
231.06500	2.0
236.05609	3.8
249.07628	4.9
252.08661	5.1
254.11765	20.0
270.09729	1.3
272.12759	4.6
286.14395	22.1
287.14893	1.6
296.12756	4.1
314.13885	8.4
324.12317	1.8
328.15387	11.7
338.10208	1.7
342.13354	3.6
346.16602	2.2
356.11234	1.5
356.14951	9.1
374.15967	91.9
375.16467	5.6
394.70007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
54.46266	1.2
54.99443	1.1
55.01851	2.5
58.68402	1.4
66.57050	1.2
67.05502	1.4
68.24448	1.3
68.75623	1.1
68.99813	1.5
69.03416	4.3
69.53067	2.1
69.53460	3.0
70.06580	2.3
79.05501	9.2
81.03446	1.3
81.07038	5.4
85.02913	11.1
86.06092	1.3
86.45968	1.3
86.78189	1.4
90.94315	1.1
91.05466	38.2
93.42822	1.3
95.05026	1.7
97.02894	1.7
97.06544	2.3
103.05464	1.9
105.03349	1.4
105.07018	1.6
107.04934	1.7
109.02876	2.4
110.06033	1.6
115.05407	3.7
117.07011	100.0
118.07387	2.8
121.06485	1.4
123.04445	1.7
125.05978	4.4
126.05524	1.4
126.23279	1.4
127.03942	1.7
128.07054	5.6
129.06998	4.5
131.04884	6.1
131.08556	61.9
132.05260	1.4
132.08862	2.5
137.05977	1.2
143.82356	1.2
145.05034	2.0
147.04364	4.2
151.03900	5.3
157.13336	1.5
159.08047	67.5
160.08405	2.6
161.05881	1.8
161.08194	1.3
177.09093	37.7
178.09410	2.3
179.03311	1.4
179.06961	3.8
181.62395	1.4
187.07547	2.3
190.92435	1.3
191.03351	3.0
194.47763	1.3
195.10144	16.5
201.05397	1.4
204.04301	1.4
205.04959	2.1
205.06967	1.4
207.02780	2.3
211.07515	1.6
215.07014	2.6
221.04350	3.9
223.11137	2.4
224.16235	1.3
232.07291	14.0
233.08044	5.2
236.05515	9.1
237.09088	1.7
245.08156	2.0
265.12042	2.2
269.11612	2.0
279.09921	2.1
283.09753	1.5
283.13345	1.4
295.77960	1.5
297.11292	1.9
311.09262	2.1
311.12796	4.8
315.12280	4.2
321.11154	1.8
330.53323	1.3
339.12381	1.8
347.14151	1.2
356.11066	3.2
357.13449	6.1
374.12210	4.2
375.14337	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	2.6
69.07079	1.7
70.06609	4.0
71.42941	1.7
72.08157	5.0
76.41608	1.5
78.65589	1.4
83.06145	2.2
84.04491	7.1
84.08138	19.5
85.02904	7.1
86.06096	2.8
86.09692	25.7
89.06024	55.6
97.02877	4.7
98.02415	2.2
98.41918	1.7
99.52881	1.7
107.07056	3.8
109.02884	2.7
119.04904	2.4
124.03944	2.3
129.10202	8.0
133.08582	21.8
136.03871	1.7
137.52312	1.9
141.10229	2.6
147.04379	12.8
147.11292	3.9
151.09677	1.7
177.11198	5.4
195.12260	100.0
196.12660	3.9
197.83989	1.8
200.13985	4.7
226.08061	1.6
228.13533	1.9
255.01520	1.9
266.78250	1.7
347.65680	1.6
365.33194	1.9
375.16287	3.7
375.23288	3.0
392.29465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77579	0.4
55.01868	0.5
55.05508	0.4
56.05034	1.1
58.06583	0.4
68.99767	0.6
69.03422	3.1
69.07069	3.8
70.06581	0.6
70.93375	0.7
71.04998	0.7
72.08144	2.7
73.02931	0.6
81.03413	1.4
84.04502	22.1
85.02905	7.8
86.06081	3.0
86.09704	100.0
87.00824	3.4
87.10020	2.1
91.05479	17.4
95.04989	0.4
95.11174	0.4
96.04491	0.8
97.02888	2.7
97.06480	0.4
99.04454	1.4
102.05536	8.6
105.01862	4.2
108.04486	0.7
109.02873	2.3
113.07145	0.9
114.09160	1.9
121.02831	0.6
121.94987	0.4
126.05555	0.4
127.03900	5.4
129.06543	2.6
130.04994	0.6
132.10199	24.1
133.06531	0.4
137.02351	0.8
137.05981	1.8
141.06593	1.6
142.08620	0.5
145.04965	3.7
145.06360	0.5
147.04425	1.3
149.05965	0.4
151.03891	1.8
152.03421	0.6
152.10707	1.4
156.49422	0.4
159.02859	1.4
163.07605	0.5
167.06985	0.6
168.02800	0.4
170.11728	2.0
175.07373	0.5
177.05652	0.4
180.02936	2.6
197.12854	11.5
197.14603	0.6
198.04245	0.4
198.13144	0.8
199.07552	0.4
203.07062	0.7
215.13908	27.4
216.14262	0.8
221.04666	0.5
225.12323	4.9
231.04889	2.0
233.14964	1.4
236.05249	0.4
237.05952	0.8
243.13394	20.9
244.13789	0.4
245.18744	1.3
249.06079	0.6
261.14517	1.3
316.08240	1.1
328.12454	0.8
356.12024	1.2
356.21558	0.8
374.12817	2.8
374.23340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77579	0.4
55.01868	0.5
55.05508	0.4
56.05034	1.1
58.06583	0.4
68.99767	0.6
69.03422	3.1
69.07069	3.8
70.06581	0.6
70.93375	0.7
71.04998	0.7
72.08144	2.7
73.02931	0.6
81.03413	1.4
84.04502	22.1
85.02905	7.8
86.06081	3.0
86.09704	100.0
87.00824	3.4
87.10020	2.1
91.05479	17.4
95.04989	0.4
95.11174	0.4
96.04491	0.8
97.02888	2.7
97.06480	0.4
99.04454	1.4
102.05536	8.6
105.01862	4.2
108.04486	0.7
109.02873	2.3
113.07145	0.9
114.09160	1.9
121.02831	0.6
121.94987	0.4
126.05555	0.4
127.03900	5.4
129.06543	2.6
130.04994	0.6
132.10199	24.1
133.06531	0.4
137.02351	0.8
137.05981	1.8
141.06593	1.6
142.08620	0.5
145.04965	3.7
145.06360	0.5
147.04425	1.3
149.05965	0.4
151.03891	1.8
152.03421	0.6
152.10707	1.4
156.49422	0.4
159.02859	1.4
163.07605	0.5
167.06985	0.6
168.02800	0.4
170.11728	2.0
175.07373	0.5
177.05652	0.4
180.02936	2.6
197.12854	11.5
197.14603	0.6
198.04245	0.4
198.13144	0.8
199.07552	0.4
203.07062	0.7
215.13908	27.4
216.14262	0.8
221.04666	0.5
225.12323	4.9
231.04889	2.0
233.14964	1.4
236.05249	0.4
237.05952	0.8
243.13394	20.9
244.13789	0.4
245.18744	1.3
249.06079	0.6
261.14517	1.3
316.08240	1.1
328.12454	0.8
356.12024	1.2
356.21558	0.8
374.12817	2.8
374.23340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01891	0.4
57.06815	0.8
57.07074	9.9
58.06609	0.6
62.31606	0.5
69.07072	0.5
70.06590	20.7
71.08636	3.5
84.08131	1.6
85.10193	1.4
86.06053	0.5
86.09691	1.0
88.07626	20.6
96.04466	0.9
96.08094	0.5
102.09158	1.4
106.08686	2.4
114.09161	7.6
118.08640	1.5
129.09149	1.0
131.04918	0.5
132.10204	24.1
141.76846	0.5
150.11249	17.9
174.56804	0.5
221.04483	0.8
270.07562	0.9
271.06042	0.8
271.84995	0.5
298.31073	1.2
312.32565	1.6
315.15793	0.7
329.05167	0.8
330.33621	6.2
341.35715	0.5
344.08517	1.5
360.96222	0.5
368.54199	0.6
374.12985	2.4
374.36270	100.0
375.09390	1.3
375.36514	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1076
Annotation	Eriostemin
Peak:m/z	Relative Intensity
52.16077	0.4
55.68307	0.4
56.19998	0.3
58.96179	0.4
61.01155	4.6
68.99785	0.6
69.78040	0.4
72.70570	0.4
81.03403	0.6
82.75644	0.3
83.04961	0.6
87.08519	0.4
91.05468	0.6
101.04253	1.0
103.05455	1.5
105.07052	0.7
108.02090	5.3
131.04924	3.8
135.04408	0.6
136.01561	1.3
137.02359	1.3
139.03847	0.5
149.73595	0.4
154.02625	2.0
163.03923	2.4
164.04672	0.5
167.02144	2.6
168.02521	1.4
169.06447	0.5
173.05951	0.5
178.04674	0.8
178.06242	15.6
179.07022	3.8
181.04974	2.7
183.02905	0.6
183.04425	0.4
185.00822	0.7
185.03242	1.4
186.03499	0.5
193.03293	0.7
197.04370	0.7
197.05986	1.7
211.04089	0.4
212.04742	0.5
213.05473	0.7
215.03723	0.6
215.07083	0.6
225.05475	1.7
227.07071	0.9
230.83539	0.5
233.04799	0.7
243.06494	2.7
247.06036	0.6
253.04994	0.7
255.06567	0.5
269.04453	1.5
270.05283	1.0
271.02759	3.1
271.05948	1.1
271.08490	1.1
272.08688	2.6
284.03250	0.6
286.08304	2.7
298.04752	4.3
299.05463	1.5
301.05902	0.5
314.07816	35.2
315.04773	0.8
315.08044	1.7
315.11316	2.0
317.06516	1.5
326.04092	3.3
329.05093	3.1
330.07355	1.2
331.08105	2.2
342.07330	25.6
343.04184	0.9
343.07843	1.7
344.05063	0.7
345.06009	1.3
346.07059	0.4
347.06274	0.8
352.06668	1.6
359.07620	13.6
360.08328	9.9
361.08673	0.6
375.10687	100.0
376.11154	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1073
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
69.62553	1.0
80.02645	0.3
92.75508	0.2
95.71107	0.3
105.97086	0.2
106.52265	0.3
108.02083	1.7
116.07095	0.7
117.97243	0.3
119.04951	0.4
135.04395	0.6
136.01529	1.7
137.02316	2.6
141.06985	0.4
153.01794	0.5
154.02606	1.3
155.03362	0.3
163.03879	2.6
165.01762	0.4
169.06474	0.5
178.06238	3.9
179.06937	1.2
181.04929	0.8
183.02884	1.0
183.04424	0.5
183.61067	0.3
197.05948	2.4
203.83769	0.3
207.02643	0.3
211.03831	0.3
213.05458	0.9
215.07005	0.9
225.05450	4.5
228.04091	0.6
241.04953	0.5
242.05521	0.4
243.06516	4.7
244.07094	0.3
247.05919	0.4
253.04993	2.5
254.05685	0.9
256.03790	0.4
259.06027	0.5
269.04428	2.1
270.05176	3.8
271.05945	2.6
281.04395	1.6
282.05118	0.4
284.03152	0.6
285.04016	0.4
286.08371	1.3
287.05481	0.4
297.03851	1.1
298.04666	9.7
299.05466	4.0
302.04398	0.4
302.07800	0.3
313.03421	0.3
314.07797	25.8
315.04886	1.2
315.08194	2.0
316.05658	0.8
317.06384	2.1
326.04172	7.9
327.04675	0.9
330.07361	2.1
331.08054	3.5
342.07300	17.3
343.04318	0.7
343.07809	1.4
344.05237	2.4
345.06021	2.8
346.06854	0.8
359.07571	31.2
360.08292	14.5
361.08789	0.6
375.10690	100.0
376.11060	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	375.1263
Annotation	Dercitamide
Peak:m/z	Relative Intensity
51.77087	1.1
56.96555	1.8
69.03413	1.5
69.74045	2.6
69.74426	2.2
70.02853	1.0
70.06588	6.8
72.08143	3.9
72.87389	1.0
79.36917	1.0
81.03437	1.3
84.04507	2.5
84.08128	4.4
85.02919	1.6
86.09708	8.2
87.04450	1.9
87.05586	1.1
89.93104	1.0
94.91000	1.1
98.22655	1.6
98.97591	1.3
109.02898	1.4
116.98601	1.3
119.04925	1.2
124.03950	2.1
125.04308	1.2
127.03900	12.8
127.07310	2.3
127.81010	1.1
129.10223	2.3
147.04422	3.7
158.01274	2.4
162.07626	1.1
163.66338	1.1
194.53966	1.0
217.19646	1.1
227.05203	2.4
269.08295	1.5
281.07495	1.4
289.12564	6.1
314.28677	1.2
315.03162	1.6
331.13605	38.1
332.14136	1.7
375.12589	100.0
375.22864	2.4
376.12851	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1435
Annotation	3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone
Peak:m/z	Relative Intensity
51.02379	1.2
53.03942	1.7
55.01865	5.0
55.05501	5.1
55.28046	1.3
57.03431	2.7
58.65845	1.2
65.03921	2.2
67.05497	8.7
68.99805	2.2
69.03434	7.7
69.07056	4.6
70.06567	1.7
71.04978	1.5
79.05489	16.5
81.03416	3.1
81.07059	7.3
82.63698	1.2
83.04984	9.2
85.02902	3.6
85.06525	1.9
86.09701	3.9
89.03909	4.1
91.05470	26.1
93.02867	1.6
93.03403	1.6
93.07035	18.9
95.01334	2.2
95.04956	13.3
95.08608	14.8
97.02882	9.1
97.06529	2.7
99.08083	1.4
103.05450	5.2
105.03377	2.4
105.07017	18.8
107.04945	8.7
107.08586	18.3
109.02854	3.8
109.06506	5.2
109.10143	3.9
111.04420	3.7
111.08069	13.4
115.05488	2.5
117.03350	5.5
117.04833	1.3
117.07011	5.9
119.04921	4.2
119.08569	37.1
121.02860	10.9
121.03609	1.7
121.06494	11.5
121.10174	1.9
123.04420	49.1
123.08051	13.9
125.05982	4.3
125.09639	2.8
127.03880	1.8
127.66910	1.2
128.06230	1.8
129.06995	7.6
131.04875	7.8
131.08600	6.6
133.06487	16.4
135.04411	16.6
135.08038	1.8
137.02350	6.7
137.05949	7.3
137.09599	5.9
139.03880	2.7
141.01802	1.5
144.05669	1.5
145.02852	10.1
145.06490	2.2
147.04393	36.0
147.08022	26.4
149.05969	41.2
149.09601	4.7
151.03918	6.3
151.07542	7.1
155.08539	3.0
157.06532	3.1
157.10107	1.9
159.08054	10.7
161.05977	6.7
162.06761	1.4
163.03889	92.1
164.04279	2.3
165.05495	1.6
165.06921	2.9
165.09088	16.7
167.07059	6.4
167.08470	2.6
173.05931	4.3
175.03925	1.6
175.07501	16.6
177.05507	2.8
177.09039	1.9
177.16383	3.9
179.07036	2.5
179.08521	1.6
181.06506	3.0
183.08076	1.8
185.05917	3.7
187.07516	9.7
189.09175	1.6
190.07779	2.6
191.08502	1.7
193.08586	55.1
193.10011	2.9
194.07361	1.5
195.08096	1.7
195.17520	1.8
197.05946	2.7
199.07489	1.5
201.09113	4.5
203.06973	16.1
203.08592	2.4
204.09315	1.8
205.10042	2.6
209.09628	2.7
210.06702	3.6
211.07635	2.8
211.09599	28.9
212.10072	1.5
213.05400	2.2
213.18475	1.5
218.07230	1.8
219.08026	1.9
219.10109	3.4
221.06030	2.3
221.08067	15.8
221.09868	2.4
222.06700	1.4
223.07584	2.8
223.11136	2.6
224.08240	1.9
227.06943	2.8
229.08569	1.3
231.07921	2.0
233.09622	4.3
236.08298	4.5
237.09125	2.7
239.07088	3.4
239.09070	92.4
240.07549	3.3
240.09662	2.7
241.08556	2.7
241.12161	1.7
243.10133	3.5
249.09126	7.4
250.06319	2.9
250.09686	1.2
251.06969	2.5
251.10661	13.4
252.07852	1.8
252.11105	1.7
253.08598	1.7
253.12204	3.4
254.09293	1.5
257.09998	1.8
259.06076	2.3
261.09131	7.1
264.07898	2.2
265.08716	2.3
265.12231	8.6
266.05804	6.7
267.06577	2.5
267.10095	12.9
269.08511	2.0
269.11722	16.5
270.11908	2.2
275.10718	3.0
277.08539	6.5
279.10138	21.9
280.10715	1.9
283.13388	2.3
285.11130	16.7
293.11691	9.3
295.09628	35.3
296.09879	1.7
297.11099	3.2
310.08542	1.9
311.12744	13.4
311.18018	1.7
313.10611	10.1
313.14136	3.3
321.11185	13.9
329.13751	11.3
339.12253	53.8
340.12512	4.1
357.13251	100.0
358.13669	6.4
375.14252	23.7
375.18658	1.6
375.23123	1.7
386.07880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1434
Annotation	3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone
Peak:m/z	Relative Intensity
51.45431	1.6
55.01871	6.3
55.05506	4.3
57.03432	2.6
61.95171	1.4
67.05499	7.3
68.99792	1.9
69.03426	5.9
69.07089	4.1
70.35595	2.0
70.35951	4.2
71.04966	3.1
77.03921	2.0
79.05486	15.9
81.03403	5.4
81.07057	7.5
83.04991	9.9
85.02912	5.3
86.09716	3.2
87.04461	1.8
87.45531	1.5
89.03925	4.0
91.05468	22.7
93.07036	17.4
93.50967	1.7
95.04959	13.9
95.08612	10.6
97.02897	7.6
97.06554	3.3
97.10116	2.4
103.05489	5.6
105.03389	3.5
105.07017	20.8
107.04955	9.4
107.08574	16.7
109.02867	3.8
109.06499	5.6
109.10171	4.8
111.08073	12.9
115.05413	1.7
116.06240	2.4
117.03357	4.2
117.07010	7.3
119.04956	5.8
119.06099	2.9
119.08569	41.5
121.02822	9.7
121.06492	9.6
121.10164	3.9
123.03517	3.2
123.04421	52.2
123.08057	12.4
125.02363	2.2
125.05981	4.8
127.03885	2.0
128.06154	1.7
129.06966	8.4
131.04922	7.4
131.08578	5.2
133.06491	19.5
135.04391	14.4
135.08017	4.6
135.11687	2.2
137.02347	6.5
137.05983	6.7
137.09618	7.2
137.13246	2.5
138.02672	2.4
139.03973	1.9
141.06946	2.4
143.08505	1.9
145.02834	11.1
145.06499	2.6
147.04404	39.3
147.08032	22.8
149.05969	44.5
149.09665	2.3
151.03903	7.1
151.07559	6.1
152.76772	1.7
153.07066	2.9
155.08527	3.8
157.06477	2.5
157.10059	2.6
159.08055	10.6
161.02292	2.0
161.05971	4.4
163.03888	85.5
165.05438	2.4
165.06956	3.0
165.09113	17.4
167.07065	5.6
167.08601	2.3
173.05994	2.6
173.09636	2.4
175.04025	2.6
175.07547	14.6
177.09084	3.8
177.16396	5.6
178.07866	2.5
183.08011	2.1
187.07503	12.1
189.05455	2.3
193.04866	1.8
193.08583	52.6
195.17473	1.9
199.07481	3.0
201.08998	2.3
203.07001	15.1
203.44324	2.5
205.10107	2.2
206.07675	1.7
207.08113	2.5
207.11647	2.0
210.06699	3.5
211.07663	3.6
211.09612	27.9
213.05452	2.0
218.07280	3.5
219.08232	2.0
219.10109	4.1
220.05136	2.0
221.05995	3.7
221.07855	14.4
221.09927	2.4
223.07573	3.4
223.11287	2.7
227.06902	2.0
233.09610	5.1
236.08353	1.8
238.06273	3.0
239.06985	3.7
239.09068	86.2
240.07527	4.2
240.09637	2.9
241.08487	3.5
243.10167	2.5
248.04698	2.8
249.05609	2.0
249.09032	5.1
251.06952	2.2
251.08127	1.7
251.10648	15.8
252.07913	2.8
253.12120	4.0
255.06728	2.0
257.07300	2.5
261.09152	5.2
265.08148	2.4
265.12314	10.1
266.05621	4.6
267.10126	16.3
269.08612	3.1
269.11630	19.6
270.08136	1.8
277.08655	11.2
279.10126	20.2
282.08813	1.9
283.13364	3.1
285.11160	16.6
293.11566	10.9
295.09644	35.2
295.12900	3.8
297.03989	3.2
297.11334	3.2
311.12747	13.2
313.10522	9.8
313.13980	3.4
321.11194	11.5
325.03381	2.6
329.13568	15.0
339.12238	48.4
340.12775	4.2
357.05997	4.4
357.13245	100.0
358.13538	6.4
375.13913	33.9
375.79340	2.0
376.14456	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	375.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
53.03944	4.6
54.41433	2.0
55.01874	2.4
55.05507	27.1
57.03420	2.6
57.07071	8.4
65.03931	4.0
67.05495	16.6
69.03425	71.2
69.07060	6.0
70.83292	2.5
77.30311	2.0
79.05494	14.6
81.03414	29.3
81.07053	20.8
83.04976	53.5
83.08620	3.5
85.06542	5.5
91.05457	16.6
93.07043	19.9
95.04964	12.1
95.08018	3.0
95.08601	35.4
97.06508	1.8
97.10175	2.0
103.05463	3.7
105.04494	3.5
105.07021	42.3
107.04937	2.9
107.08586	17.6
109.02831	1.9
109.06506	5.9
109.10162	7.0
111.04436	100.0
113.03439	2.3
115.05463	2.5
117.07028	10.3
119.08568	31.0
119.58305	1.5
121.06511	2.2
121.10129	19.7
123.08062	3.5
128.06219	3.5
129.06967	7.3
131.04904	5.0
131.08554	23.0
133.06586	1.8
133.10118	25.4
135.08044	5.0
135.11694	6.4
141.07005	2.4
142.07735	3.2
143.08562	12.4
144.09332	2.2
145.06500	2.8
145.10106	42.7
147.08063	3.6
147.11684	10.8
149.09627	7.3
149.13263	3.3
155.08557	5.8
156.09352	4.7
157.10132	14.4
159.08069	3.9
159.11690	27.8
161.09607	3.6
161.13237	15.6
163.11172	7.2
163.14807	1.9
165.07060	3.0
167.08583	4.2
168.09383	2.0
169.10106	11.4
170.10872	2.5
171.11705	10.6
172.12514	2.1
173.09668	2.3
173.13243	5.9
175.11174	3.6
175.14857	5.6
177.12883	2.5
177.16357	18.9
179.08508	3.9
181.10103	6.6
182.10803	3.2
183.08089	2.1
183.11693	7.0
185.09570	3.7
185.13243	9.5
187.11151	5.6
187.14801	63.9
188.15222	4.5
189.12663	3.4
189.16360	2.2
193.10205	1.8
195.11626	7.6
196.12433	2.6
197.13268	8.2
199.11197	3.4
199.14914	2.7
201.12717	2.2
201.16348	2.9
203.14352	6.0
205.15852	46.7
205.17697	3.3
207.11678	4.1
209.09720	2.4
209.13287	7.4
211.14754	3.0
213.12685	2.2
213.16324	2.7
215.14346	11.8
219.11761	1.9
221.13405	2.5
223.11182	2.5
223.14807	3.6
225.12704	2.6
225.16364	3.3
227.14230	2.9
229.15836	5.2
233.15369	6.1
235.14812	2.5
237.16310	2.8
241.19557	2.4
251.17975	5.7
253.15848	3.2
255.13687	1.7
256.03464	6.5
261.16373	2.6
269.18948	10.4
275.17233	2.2
279.17447	8.7
297.18481	17.1
302.18646	2.0
315.19421	12.6
329.05042	3.5
375.09299	3.3
375.13852	1.7
375.21674	4.3
376.08652	1.9
376.15341	5.9
376.25900	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39846	3.4
53.03952	4.6
55.05517	18.9
57.07060	6.5
65.03956	3.8
65.37982	3.2
67.05501	27.8
68.23168	3.4
69.07071	15.0
69.21299	5.2
69.21710	14.5
79.05495	34.2
81.07046	60.4
83.04955	4.1
83.08622	8.8
91.05480	52.5
93.07040	69.4
95.04958	71.0
95.08604	43.1
96.05293	4.2
97.06530	8.9
102.91057	3.7
103.05453	6.8
105.07023	100.0
107.08578	45.5
108.97694	3.6
109.06509	11.1
109.10140	24.0
115.05405	7.0
117.07002	16.2
119.08575	72.5
119.11044	3.0
121.06525	9.0
121.10139	54.9
123.08057	7.8
123.11690	7.2
128.06215	7.0
129.06984	12.9
130.07787	11.5
131.08553	39.0
133.10107	40.7
135.11702	13.3
141.07018	6.5
142.07779	16.0
143.08566	27.5
144.09349	5.6
145.10112	52.3
147.11710	12.2
154.22804	4.1
155.08575	11.0
156.09354	7.5
157.10143	30.1
159.11626	22.5
161.09579	7.1
169.10135	14.2
170.10889	4.4
171.11670	15.6
173.13258	11.1
175.11038	4.5
175.14920	7.3
179.08514	9.9
181.10049	9.0
183.11729	9.3
185.13248	5.8
187.11157	4.1
187.14899	7.1
193.10121	10.0
195.11717	12.4
197.13220	4.5
201.16415	5.7
207.11647	4.4
209.13223	9.3
211.14755	4.7
221.13319	4.6
225.16293	4.5
235.14812	4.2
375.26624	15.5
375.30710	37.4
375.36328	3.2
376.53311	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	375.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.5
55.05506	29.2
57.01760	3.1
57.07080	5.0
63.58178	3.1
63.93936	2.7
65.03919	3.7
67.05502	34.1
69.03431	5.3
69.07055	21.4
69.62833	7.9
69.63220	6.1
71.05008	3.8
75.70767	3.0
79.05488	34.3
81.07058	63.7
83.04968	4.2
83.08624	8.9
91.05475	59.1
93.07041	74.9
95.04963	52.5
95.08599	49.9
97.06535	9.4
97.10198	3.9
101.05709	2.6
103.05480	4.7
105.04522	3.7
105.07020	100.0
107.08591	50.1
107.09264	4.7
109.06514	14.5
109.10157	26.0
117.07012	21.5
118.17281	4.2
119.08570	83.5
121.06487	18.2
121.10139	81.2
123.08058	7.0
123.11700	21.0
128.06241	12.2
129.07005	14.6
130.07819	8.5
131.08557	44.9
133.07567	3.1
133.10130	42.3
135.11716	18.1
137.09656	3.4
141.06989	4.6
142.07733	26.6
143.08546	33.8
144.09291	10.3
145.10117	53.6
147.11711	25.1
155.08588	9.8
156.09320	11.6
157.10130	48.3
158.10858	4.9
159.11684	33.1
161.09618	14.6
161.13297	8.3
162.68448	2.9
163.11211	3.7
165.06949	4.4
167.08556	5.4
169.10138	23.0
170.10927	3.9
171.11650	20.8
173.09711	4.9
173.13269	11.9
175.11165	7.7
175.14886	5.1
179.08495	7.6
180.09370	4.3
181.10194	9.5
182.10896	5.6
183.10239	3.6
183.11752	13.7
185.13254	9.9
187.11115	5.0
187.14795	15.3
193.10184	9.2
194.10905	3.4
195.11713	14.6
196.12474	3.0
197.13272	16.8
199.11119	3.6
199.14786	6.9
201.16307	6.0
205.10225	3.5
207.11678	7.6
209.13171	22.1
211.06021	7.5
211.14842	8.5
221.13272	7.7
223.14822	9.2
225.16418	4.5
233.13237	4.9
235.14853	5.6
237.12730	4.1
237.16325	6.3
239.17999	3.4
243.11763	3.2
251.18073	7.4
253.15845	7.6
265.19370	4.9
342.07352	5.0
357.26266	3.3
375.10608	5.7
375.26697	26.1
375.30829	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.05517	17.9
57.07066	4.8
65.03929	2.5
67.05502	28.9
67.56851	2.4
69.07064	16.8
79.05489	37.4
81.07054	53.0
83.04974	4.0
83.08643	4.9
85.06533	2.6
88.87081	2.4
91.05475	52.6
93.07046	81.7
95.04971	39.2
95.08601	43.2
97.06528	8.6
100.25097	2.5
103.05479	5.6
105.04499	6.6
105.07031	100.0
107.08595	43.7
109.06519	9.3
109.10163	23.1
115.05465	5.5
117.07017	19.1
119.08578	79.3
120.08897	2.6
121.06517	13.4
121.10147	56.2
123.08067	6.3
123.11728	5.3
128.06216	7.7
129.07002	13.9
130.07794	7.2
131.08572	44.7
133.07643	3.4
133.10132	38.8
135.08014	4.1
135.11694	17.7
141.06964	6.5
142.07785	19.3
143.08575	26.8
144.09340	6.4
145.10124	59.1
147.07988	2.5
147.11673	13.2
149.13213	4.5
153.07028	3.1
155.08548	10.0
156.09332	11.3
157.10130	35.9
158.10809	4.6
159.08058	4.9
159.11678	29.9
161.09625	9.8
161.13217	3.7
163.11195	4.3
165.07002	3.4
167.08569	4.1
168.09294	3.6
169.10132	15.5
170.10858	3.7
171.11667	18.1
172.79872	2.5
173.13283	13.8
175.11125	5.7
175.14923	7.1
179.08572	4.5
180.09332	4.5
181.10133	7.0
182.10840	3.7
183.11691	11.6
185.13266	8.4
187.11142	3.2
187.14801	10.4
193.10100	4.5
194.10881	3.0
195.11650	12.1
197.13243	8.6
199.14807	5.0
201.16225	3.6
205.10161	3.9
206.10837	2.8
207.11719	2.5
209.13277	10.3
210.14091	3.4
211.05954	4.9
211.14769	7.5
213.16388	3.4
219.11652	3.1
221.13275	3.9
223.14795	4.3
225.16309	5.0
233.13263	3.3
235.14871	5.1
249.16080	2.9
253.16049	3.5
265.19589	4.5
357.25513	3.4
375.10727	3.0
375.26889	28.9
376.26846	3.3
382.26907	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	375.3254
Annotation	Dolichoic acid-[18-20]
Peak:m/z	Relative Intensity
55.01862	1.1
55.05257	0.9
55.05508	11.7
56.69583	0.7
57.07080	5.1
65.03930	2.4
65.86672	0.6
67.05156	1.2
67.05500	15.7
69.03432	0.7
69.07065	14.6
70.06590	0.9
71.04995	0.9
71.08620	1.9
71.43896	0.6
79.05485	5.3
81.07050	37.0
83.04975	10.0
83.08614	6.6
85.06541	4.4
88.07616	2.0
91.05455	3.3
93.07034	10.4
95.04961	100.0
95.08597	29.7
96.05289	1.6
97.06509	6.2
97.10164	5.6
99.08080	2.9
102.09148	0.9
105.07030	5.1
107.08588	11.3
109.06520	12.9
109.10150	17.3
111.08047	3.6
111.11712	3.1
119.08568	6.9
121.06469	0.6
121.10126	9.5
123.08054	1.8
123.11688	8.1
124.74417	0.7
125.09633	1.6
125.13294	0.7
125.52699	0.6
129.07018	0.7
131.08586	2.7
133.10081	4.0
135.11678	7.9
137.13240	3.9
139.11214	1.1
145.10112	3.6
147.11688	3.9
149.13231	6.6
151.11223	0.8
151.14827	2.1
153.12750	0.9
157.10069	0.9
159.11693	4.9
161.13235	3.5
163.11171	0.9
163.14807	4.3
165.12767	1.7
165.16428	0.8
171.11584	0.7
173.13223	2.3
175.14827	1.6
175.49728	0.8
177.16394	2.1
179.14191	0.7
179.18022	1.1
185.13188	0.8
187.14879	1.4
189.16365	1.5
191.18040	0.8
199.14862	1.1
201.16356	1.0
203.17944	1.6
213.16431	1.0
215.17982	2.6
227.17969	1.3
229.19621	0.9
233.18988	1.3
247.20667	0.9
277.25290	2.8
313.32941	2.7
339.30429	1.4
352.18661	3.3
357.31464	7.6
357.35236	0.9
375.10959	1.0
375.32520	20.0
375.36719	6.8
376.32782	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	376.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94123	0.1
67.02982	1.0
68.01041	0.2
68.01389	3.5
68.03764	0.2
68.19839	0.1
85.32191	0.1
91.66057	0.2
95.02450	27.3
96.02818	0.3
103.05465	0.4
107.04917	0.2
113.03489	100.0
114.03127	0.3
114.03828	1.2
115.03952	0.2
131.04919	1.1
131.24855	0.2
132.05298	0.3
178.01349	2.3
207.11699	0.2
272.03009	1.7
272.05917	0.2
272.09097	1.2
282.07635	2.2
290.03943	0.6
376.09262	31.0
377.09555	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01897	0.2
55.73137	0.2
63.10196	0.2
66.18787	0.2
67.02980	0.8
67.15060	0.2
68.01379	2.7
69.33695	1.2
76.14558	0.2
91.05453	0.3
95.02444	24.3
96.02811	0.3
103.05441	0.9
107.04974	0.2
113.03480	100.0
114.03777	1.1
128.55038	0.2
131.04927	1.7
132.05219	0.3
148.00337	0.3
178.01329	9.0
194.83641	0.2
211.06017	0.5
212.06351	0.4
219.98216	0.2
222.00383	0.4
240.06578	0.7
272.00308	0.3
272.03012	3.9
273.00330	0.4
282.07623	3.5
290.03976	0.7
330.04922	0.3
334.10587	0.2
358.10858	0.2
376.09232	51.0
377.09677	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	376.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79280	0.8
55.01878	0.9
66.62936	0.8
67.01871	0.9
68.99790	5.6
69.04479	5.9
71.01349	1.2
71.36198	0.8
71.36613	0.9
71.76149	0.8
84.03790	0.8
84.04478	1.1
84.08160	1.4
91.05497	3.9
95.01323	4.9
97.02885	2.2
103.05467	29.3
103.44189	0.9
105.03401	1.0
105.07060	4.4
105.61416	0.9
110.06057	3.1
112.03961	3.1
123.00792	6.0
125.02345	2.1
131.04924	100.0
132.05251	3.9
137.02296	2.2
138.01889	0.9
139.00232	1.1
141.01784	1.1
147.00786	2.0
147.04396	1.6
149.71428	0.9
151.00259	1.1
157.06512	1.0
161.00676	1.1
163.00194	1.9
163.03995	1.0
164.03416	1.0
165.01822	7.8
166.99757	2.2
168.02824	0.9
168.94080	1.0
169.01300	2.0
173.05969	2.0
180.02966	2.0
181.01314	3.7
181.06505	1.3
183.02879	1.8
185.00821	8.0
190.99734	4.0
192.02928	1.7
193.01326	16.5
209.00803	16.4
209.06175	1.2
210.03972	2.7
211.02338	2.5
217.05000	1.2
218.00667	1.0
218.99174	3.5
223.07463	1.4
227.01923	2.1
227.06993	1.3
236.01862	9.1
237.00269	12.7
238.08575	1.0
241.62415	0.9
249.05440	1.1
251.07024	2.4
253.04936	2.3
254.02979	6.2
255.01378	1.8
255.06439	1.2
266.08096	1.8
267.06516	2.3
269.08099	2.5
271.05948	11.6
272.03903	1.5
279.06424	2.6
294.07742	1.3
295.05972	7.8
297.07526	14.3
298.07916	1.1
312.08585	1.5
313.07138	2.7
322.07031	4.4
323.05457	18.6
324.05838	2.0
325.16885	0.9
340.08197	12.4
341.06430	7.7
358.09140	6.1
358.12970	2.4
376.09921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.96566	19.0
57.07069	3.7
59.28073	0.8
67.05538	0.9
69.46788	4.1
70.06583	2.1
71.95261	1.3
84.95989	1.3
88.07616	3.6
91.05487	1.0
95.08588	0.9
95.11069	0.9
97.96806	3.0
99.65465	0.8
102.09171	1.1
110.97565	6.0
115.97835	3.5
122.07622	1.0
123.01155	1.3
128.98621	8.0
146.99658	6.2
155.03789	1.2
161.01219	2.1
165.00769	1.1
184.00438	0.9
185.04968	1.0
189.04346	1.9
190.05122	2.0
203.05759	1.2
263.09476	1.7
276.78192	0.8
277.11063	2.0
280.26028	0.8
291.12790	1.0
313.32895	3.9
314.33371	1.6
317.17807	30.7
318.18253	2.7
333.17508	2.7
335.18900	100.0
336.19244	6.2
353.19946	21.8
354.20288	1.2
358.20435	11.0
359.21097	1.1
375.36560	11.0
376.21436	1.8
376.36935	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	377.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	10.4
57.49521	2.5
70.06580	15.0
72.08164	3.3
83.06152	2.6
84.08115	4.2
85.31971	2.5
86.09685	6.5
89.06040	3.9
95.98776	2.9
98.97572	18.4
107.63729	2.5
110.97544	6.3
112.50992	2.5
116.07099	3.0
116.98592	9.1
120.08137	2.8
123.93257	2.9
126.20867	2.8
128.98581	5.1
132.08334	4.2
136.07541	4.8
137.55858	2.4
139.01521	3.0
158.01282	4.9
158.99611	3.3
177.00659	4.3
189.00674	2.9
219.01712	12.4
223.03673	2.6
237.02837	20.2
277.50845	3.4
291.07477	4.0
309.08563	25.0
317.02896	4.2
317.08954	12.6
333.08911	6.8
333.14255	2.8
335.03583	2.9
335.10168	13.1
351.09503	3.1
377.08447	36.8
377.14087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40298	0.8
53.03944	1.5
55.01872	1.3
55.05504	1.1
56.05019	1.1
57.03434	6.8
59.05019	0.9
61.02926	4.0
65.03925	2.6
67.01863	0.9
68.99772	2.0
69.03426	13.8
69.77820	3.4
70.04068	2.2
70.06572	1.5
71.01334	2.5
71.04985	3.9
72.08132	0.9
73.02924	1.8
75.04472	3.3
81.03398	4.6
84.04493	3.0
85.02885	2.1
86.09660	0.9
91.05472	2.2
93.03413	1.5
95.01334	2.4
95.04948	3.6
97.02887	2.9
99.04456	4.5
109.02889	1.5
111.04453	1.4
116.07082	1.0
117.05499	1.5
119.01295	1.6
119.04942	5.5
120.08099	5.1
121.02857	14.9
121.18337	0.8
130.05005	2.9
130.06523	2.0
137.02344	4.0
137.05957	2.9
139.79764	0.8
145.02858	7.3
145.07550	2.7
147.04404	1.9
147.07623	0.9
151.03932	1.6
151.07518	1.2
152.06158	2.5
153.06943	1.7
155.03391	2.8
155.04880	1.2
157.06366	1.5
163.03850	3.2
165.01891	1.3
165.06955	2.5
169.06393	1.8
170.07133	1.9
172.08694	27.7
181.01353	1.3
181.06491	8.1
181.08154	1.2
183.02846	1.6
183.08067	1.6
184.08722	1.0
190.05005	2.2
190.09720	1.3
193.06363	0.9
197.06000	1.5
198.06624	4.9
200.08195	5.2
209.05956	6.3
211.03833	1.0
214.15430	2.6
216.07675	17.6
218.09335	1.6
225.05388	1.5
227.06947	0.9
229.04915	1.2
234.12337	1.7
237.05447	8.3
239.07004	25.0
240.07416	1.9
243.08763	66.9
244.06984	1.2
244.09218	1.3
248.12785	4.8
255.06496	25.7
256.06848	8.7
259.02408	1.2
265.04938	74.6
266.05258	8.1
269.08060	4.0
270.08295	2.2
281.04318	2.0
282.04770	1.6
283.05972	9.8
284.06302	6.0
299.05396	1.1
309.03546	1.0
313.11615	2.0
314.07455	4.6
317.08521	2.5
345.06009	46.2
346.06290	3.1
359.07504	75.6
360.07904	3.7
376.19897	1.2
376.24429	1.4
377.14490	100.0
378.14874	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	377.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17732	0.4
61.29020	0.4
66.18446	0.4
69.84592	1.2
72.85001	0.5
81.97614	0.5
105.03518	0.5
107.08608	0.5
133.10162	0.4
150.44887	0.4
194.86012	0.6
233.85367	0.4
276.04028	1.4
277.04486	0.6
292.95508	0.5
303.06259	0.9
315.09735	1.0
331.09409	1.4
332.10156	0.6
333.10846	2.8
348.27307	0.5
359.08731	5.5
360.09509	0.7
377.09918	100.0
378.10217	7.7
382.54120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61405	0.3
57.03429	0.4
61.02911	0.6
66.46040	0.3
69.03423	1.3
69.36852	1.5
70.06586	0.4
81.03415	0.8
85.02914	2.5
90.03436	2.2
96.04465	0.4
97.02894	1.1
98.22749	0.7
99.00018	1.0
103.05490	0.8
104.05785	0.6
105.07013	0.4
109.02883	0.7
110.06058	0.4
126.01065	100.0
127.01414	1.4
127.03947	0.6
131.04919	2.5
132.05276	2.1
144.02095	0.7
145.04897	0.6
153.02126	1.9
169.05267	0.5
171.03198	14.7
175.87665	0.4
181.79590	0.5
193.01379	0.6
197.04770	34.2
198.05124	1.1
198.07915	1.2
211.07866	0.4
215.05806	3.4
215.08118	1.2
272.06329	0.8
324.05954	0.9
341.08060	0.7
354.39270	0.3
377.13370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25508	0.5
64.29031	0.5
72.35761	0.5
84.80273	0.5
91.05491	3.9
95.63833	0.5
103.83252	0.6
105.03362	0.9
131.04915	0.8
141.04373	0.9
146.97842	0.5
153.17497	0.5
155.06102	1.0
165.06969	0.7
168.04527	0.6
169.02644	0.6
169.03984	9.6
179.08542	0.6
183.05557	0.6
185.03488	0.8
187.05026	1.4
189.06848	0.7
191.08551	1.4
199.00830	0.8
206.09599	0.9
207.07896	0.7
211.05043	7.6
213.02956	16.5
216.08041	1.4
217.06583	0.5
217.08844	2.1
218.09659	1.6
219.08070	0.9
227.00400	3.8
227.02301	0.7
228.08060	0.9
231.03960	2.0
233.10489	0.7
234.09084	2.3
235.07480	0.8
239.04510	10.6
240.04907	1.0
242.08365	0.6
243.09091	1.4
244.07516	1.5
244.09802	0.8
245.10664	3.0
246.09087	1.6
247.08698	2.6
248.07011	1.6
255.09116	0.9
256.03488	3.2
261.10199	4.0
262.08585	3.9
263.06775	0.7
271.08560	3.7
272.06937	1.4
272.09573	0.7
273.05438	1.6
273.09964	2.6
274.07144	0.7
275.08176	2.7
287.08252	2.7
289.09711	20.2
290.10260	1.2
299.08176	3.6
313.05609	0.8
317.09204	100.0
318.09598	8.3
331.06677	5.8
332.06577	0.5
345.04639	1.4
349.07651	2.4
354.08267	6.7
355.08505	1.3
360.09778	2.2
377.11313	21.0
378.11368	1.6
397.01767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01867	3.8
55.05510	0.6
57.03423	1.2
61.02924	4.1
61.32471	0.4
67.05483	1.2
68.38306	0.3
68.99788	6.3
69.03413	2.0
70.87732	0.6
71.01354	0.7
79.05479	1.5
81.03410	3.2
81.82664	0.3
83.04973	0.7
85.02905	4.3
87.00829	7.8
91.05461	2.8
93.03470	0.4
93.07014	0.4
93.41261	0.3
95.04963	1.1
97.02892	2.8
99.04432	1.4
100.30025	0.4
103.05473	2.2
105.01869	0.8
105.07014	1.5
107.04976	1.5
111.04465	0.9
115.05440	5.7
116.06221	0.7
117.07012	2.1
119.04943	0.9
120.05674	0.5
121.06486	1.6
122.03670	0.4
128.06204	5.9
129.01828	4.3
129.07008	3.9
130.04138	0.7
130.07779	0.7
131.04941	4.1
131.08577	0.8
132.05693	0.9
133.06476	1.7
135.08029	0.7
136.05194	0.5
137.05960	3.9
139.93732	0.4
140.06192	0.5
141.06985	8.6
142.07729	0.9
143.04901	3.6
143.08554	3.0
144.05702	8.1
145.06483	4.1
146.03639	1.1
146.07181	0.7
147.02838	2.3
147.04387	1.7
147.08057	1.0
148.05185	1.8
149.06006	1.0
151.03896	0.6
151.07545	1.2
152.06184	3.9
153.06995	2.8
154.07744	0.8
155.04901	2.0
155.06015	0.8
155.08574	1.5
156.05644	0.6
157.06502	3.9
157.10095	0.8
158.07268	9.1
159.04395	1.4
159.08061	3.4
160.05223	3.6
161.05966	20.6
161.09619	1.5
162.06721	3.1
163.07504	2.4
164.08278	0.8
165.06963	4.1
166.07730	1.5
167.08569	9.1
168.05708	1.8
168.08975	0.5
169.06464	8.2
170.07234	2.7
171.04419	3.9
171.08054	5.7
172.05154	5.2
173.05934	1.6
173.09612	2.1
174.06767	7.1
175.04060	0.7
175.07536	14.2
175.11182	0.8
176.08250	1.1
177.05487	0.6
177.06912	0.9
177.09111	3.7
181.06462	3.6
182.07196	0.7
183.04396	0.9
183.08020	2.4
184.05252	2.0
184.08795	2.6
185.05983	4.3
185.09602	2.5
186.06752	8.5
187.07530	32.0
188.04648	1.8
188.08157	2.9
189.03815	0.7
189.05431	8.8
189.09074	6.0
190.06227	6.3
190.09540	0.5
191.07011	9.9
194.07245	1.4
195.08055	12.8
196.08705	1.3
197.05968	3.8
197.09528	0.6
198.06767	2.8
199.03899	5.7
199.07530	5.1
199.11197	1.3
200.04636	1.0
200.08229	1.2
201.09093	42.4
202.06274	0.5
202.09541	1.5
203.07005	3.0
203.10663	4.8
204.07765	1.7
205.06517	0.5
209.09576	1.3
210.06871	0.5
211.07481	2.2
212.04877	0.5
212.08301	4.6
213.05531	1.4
213.09074	8.5
214.06242	9.3
214.09511	0.5
215.07164	2.0
215.10670	8.9
217.04926	14.2
217.06850	0.8
217.08258	2.1
217.12175	1.1
223.07550	4.6
224.08253	0.6
225.09119	1.4
226.06252	0.5
227.07004	1.6
227.10657	26.4
228.11084	1.1
229.08578	6.6
230.09375	0.8
231.06616	0.9
231.10147	8.9
232.07283	31.9
233.07663	0.9
237.09081	2.5
240.07837	1.6
241.08517	2.1
243.10161	1.6
245.08044	1.3
245.11742	4.8
255.10143	23.8
256.10504	1.2
258.08853	0.8
261.11130	0.6
273.11191	100.0
274.11517	5.5
291.12286	1.5
299.09198	0.5
317.10056	0.6
333.09534	0.5
359.11142	0.9
360.36151	0.4
377.09189	0.6
377.12509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Riboflavin
Peak:m/z	Relative Intensity
51.11827	0.3
53.03952	2.0
53.39853	0.3
54.56493	0.3
55.01849	0.8
56.05015	0.3
57.03436	9.0
59.04969	1.0
61.02923	3.7
61.92264	0.3
62.84153	0.3
69.03425	15.7
69.32735	0.6
69.33140	1.4
70.06568	1.1
71.01350	3.4
71.04636	0.4
71.04990	4.6
73.02924	2.8
75.04482	3.0
81.03413	4.4
83.44721	0.4
84.04510	0.3
86.09705	0.5
87.04460	0.8
91.05460	0.8
95.04911	0.5
97.83254	0.4
99.03918	0.5
99.04459	6.2
103.05448	0.5
116.07077	1.3
117.05466	1.6
120.08112	2.1
130.06490	0.9
131.04971	0.4
137.05988	0.8
145.07579	2.8
151.03857	0.9
155.03418	0.3
157.06351	0.7
157.07570	0.4
163.03810	0.4
170.07132	1.7
172.08688	34.9
173.09039	1.2
174.10307	0.9
175.08644	1.0
179.07014	0.5
184.08672	0.6
190.09740	2.1
197.09514	0.7
198.06592	6.4
200.08188	4.8
214.09772	0.9
216.07674	20.8
217.07919	0.8
218.09235	1.2
231.98256	0.4
234.12335	1.4
243.08752	80.8
244.06973	0.8
244.07520	0.5
244.09203	2.5
265.05139	0.7
316.12970	0.7
341.12836	0.4
358.27621	0.4
359.07593	0.8
359.13480	3.8
377.14529	100.0
378.14795	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	377.1594
Annotation	Demethoxydeacetoxy-pseudolaric acid B
Peak:m/z	Relative Intensity
50.36121	1.3
60.32077	1.4
67.05479	2.2
69.03417	1.5
70.06602	2.1
70.33607	1.2
71.43553	1.7
72.08153	1.5
79.05479	5.4
81.07036	3.1
86.09679	2.8
90.47474	1.4
91.05495	4.0
93.07020	3.9
93.89494	1.3
95.04936	3.4
105.03351	1.7
105.07041	2.7
115.05423	1.9
115.43790	1.4
116.45515	1.4
117.07017	2.7
119.04974	6.6
119.08579	2.4
120.08075	2.6
122.11095	1.3
125.06033	2.0
129.06973	1.9
133.06450	2.1
137.06001	1.8
143.08569	2.3
145.06470	2.7
147.04387	2.4
155.08536	2.4
161.05968	3.5
163.03850	2.4
163.07521	5.5
165.06955	3.0
169.10040	1.6
171.07959	2.2
173.05963	3.6
175.00186	1.4
175.07550	2.9
177.05489	4.1
179.08569	4.5
181.10120	1.7
183.07967	1.9
189.05415	6.1
189.09090	4.4
191.07010	3.1
191.08601	2.5
192.09305	2.9
193.10085	3.3
195.08035	2.7
197.09708	2.2
199.07506	2.0
201.05449	7.1
201.09103	5.1
203.07008	9.0
205.08574	6.7
206.10884	4.5
207.08038	2.5
207.11600	2.6
208.08723	3.4
209.09569	4.1
211.07532	7.0
214.09761	1.5
216.09441	2.5
217.08546	28.3
217.10426	2.3
218.09108	2.3
219.08035	5.5
220.08725	3.6
221.09732	2.8
221.13231	5.8
223.07590	3.2
223.11275	1.9
224.08296	2.8
225.09100	3.7
226.09889	3.9
227.10567	3.3
229.08589	22.4
233.09651	2.4
234.10321	9.9
235.11313	3.4
236.11827	2.7
237.09059	3.8
238.09853	4.8
239.07062	8.2
239.10620	5.4
247.07489	3.5
247.09709	4.0
248.08202	2.3
249.09099	3.4
249.12741	16.5
251.07037	3.7
251.10623	3.0
251.14395	1.9
252.07857	10.0
252.11378	5.9
253.08485	3.9
253.12202	6.4
254.09386	6.4
258.05063	2.2
259.11417	1.8
261.12753	2.9
262.09949	11.1
263.10480	3.4
264.11386	3.1
265.08719	9.8
267.10144	36.1
267.13748	16.3
268.10522	3.7
268.14316	1.7
269.11813	3.0
269.15366	4.7
273.07584	3.0
277.12143	14.8
279.10114	2.3
279.13824	4.1
280.10931	88.0
281.11514	7.5
282.12473	1.7
285.11166	3.6
285.14557	2.0
286.56241	1.6
295.13275	87.2
296.13614	6.5
297.14774	4.6
299.12851	1.7
305.11777	2.4
308.10440	5.4
313.11142	3.5
313.14313	100.0
314.14615	8.5
315.15808	3.5
323.12772	21.0
331.12009	2.7
331.15390	9.1
341.13821	35.7
342.14191	2.6
359.14893	17.2
370.70453	1.7
377.10437	2.4
377.15939	40.2
378.16098	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	377.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16622	2.0
56.47060	1.4
56.72660	1.3
60.38135	1.4
62.80318	1.3
69.03416	1.7
69.45541	7.4
72.08167	1.7
74.30460	1.4
75.99846	1.5
79.05495	5.0
81.07051	1.7
86.09693	5.8
91.05476	3.8
95.04972	1.7
97.06522	1.6
103.05500	2.0
105.03409	2.5
105.07037	2.7
117.06958	2.1
119.04914	4.6
120.08113	3.7
128.06229	3.8
129.07057	3.1
141.06944	2.1
143.08574	3.6
145.06512	3.8
149.05928	2.0
155.08556	3.7
159.08072	3.2
161.05974	4.6
163.07523	6.8
165.05548	1.7
167.08640	2.0
171.08037	1.7
173.06018	4.3
175.07550	4.5
177.05499	3.6
177.09122	1.6
178.07715	2.2
179.08517	3.9
184.87560	1.8
187.07602	1.9
189.05455	6.6
189.09163	3.5
191.08620	2.8
193.10020	3.0
195.08040	2.7
196.08800	2.4
199.07547	2.6
201.05435	5.2
201.09100	3.6
203.06937	9.7
205.08607	6.6
206.10893	5.6
207.11743	3.3
208.08797	3.4
209.09518	4.8
210.06714	2.2
211.07568	6.8
211.11191	1.9
212.08220	2.2
213.09154	2.6
214.06216	1.8
214.10135	2.1
216.09491	1.9
217.08565	25.7
219.08063	6.7
220.08704	2.9
221.09711	4.5
221.13239	6.5
223.07463	2.6
223.11176	2.1
224.08359	2.5
225.05518	2.0
225.09076	4.4
226.09801	3.1
227.10666	2.9
229.08568	21.6
231.11809	3.0
233.09677	2.3
233.13232	2.3
234.10371	10.1
235.11227	2.6
236.11903	1.7
237.09105	4.8
238.09830	2.9
239.07059	7.1
239.10657	7.0
241.12090	2.4
246.10370	1.9
247.07483	2.1
247.09731	3.7
249.09023	3.6
249.12770	13.6
251.07005	3.8
251.10689	3.8
252.07748	9.4
252.11444	5.7
253.08600	4.3
253.12209	4.4
254.09413	5.7
259.11365	2.7
262.09961	8.6
263.10590	4.5
264.11429	4.4
265.08566	10.5
266.09152	3.0
267.10159	29.5
267.13766	16.4
268.10486	2.9
268.14450	2.3
269.11746	2.9
269.15298	3.4
277.12219	11.9
279.13766	3.8
280.10910	86.0
281.11371	9.7
282.12317	2.0
285.11237	5.7
295.13251	81.2
296.13644	6.6
297.14896	5.5
305.11688	3.1
308.10397	6.6
313.14282	100.0
314.14633	9.5
315.15805	3.3
323.12817	20.9
324.12836	2.3
331.11871	2.8
331.15384	9.9
341.13766	36.2
342.13995	2.1
359.07687	2.2
359.14844	17.7
377.09979	3.0
377.15915	45.7
378.10928	2.8
378.16040	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	377.1595
Annotation	Sculponin G
Peak:m/z	Relative Intensity
67.05486	0.9
69.03415	1.9
71.40548	1.0
79.05492	1.3
81.03427	0.7
83.04977	1.4
83.90635	0.7
84.21404	0.7
91.05484	1.3
93.07055	1.4
95.04983	1.9
105.04469	1.0
105.07023	1.5
107.04980	1.0
107.08561	1.0
119.04958	0.9
123.04406	0.8
129.07018	0.7
131.04922	1.1
141.05423	1.2
145.06407	0.9
149.05978	1.1
159.08008	0.7
161.03447	2.0
171.04399	1.8
171.07947	1.2
172.11377	0.6
173.05917	0.8
173.09602	2.5
175.07483	0.8
176.04741	1.1
179.03398	17.2
181.04988	1.0
187.07614	0.7
189.05490	1.5
193.04941	4.3
197.04575	1.4
198.06812	1.0
199.07509	1.0
201.09100	1.8
203.07033	1.4
205.04912	1.0
216.07776	1.0
217.08575	6.9
218.09464	2.2
219.06532	1.2
219.10092	1.9
220.07332	1.1
221.09717	1.1
229.08667	1.4
233.08093	2.0
234.08707	1.2
234.10812	0.7
249.09041	1.3
249.12778	1.3
251.10446	0.9
251.20633	0.8
254.09462	0.8
263.10535	1.1
266.09064	0.7
267.10202	2.1
267.13681	1.1
277.12216	1.7
279.13879	1.6
280.10980	3.1
281.11551	0.9
285.14731	1.0
295.13202	5.6
313.11136	0.8
313.14374	4.6
323.12726	4.7
326.11520	3.1
331.11707	6.7
341.13675	3.7
359.14853	100.0
360.15265	6.9
377.15842	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	377.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05509	3.4
56.05033	2.1
57.03434	6.2
57.07072	2.0
58.99578	5.5
61.01146	3.0
62.99079	2.2
63.72085	0.7
67.05499	15.5
69.07072	2.8
69.12592	3.8
71.04996	0.9
71.08626	5.0
76.02219	19.5
76.71656	0.6
77.00615	1.2
79.05497	1.9
81.07040	2.6
83.08619	2.4
84.04496	42.1
85.01137	0.9
85.02893	0.7
85.06527	1.3
85.83568	0.7
86.99048	3.3
87.02699	0.9
88.04018	0.9
89.00612	9.8
95.08591	1.0
97.10160	4.6
99.02666	1.2
99.08073	4.1
102.05556	1.0
105.00073	7.7
107.08573	2.5
109.10148	12.5
113.12046	0.7
114.03767	1.3
122.02712	94.0
127.11181	25.5
130.04993	8.9
136.31834	0.8
142.03214	8.2
159.08369	100.0
160.08698	1.8
188.03743	8.9
195.96576	0.7
196.77538	0.8
202.12561	5.4
230.12173	1.7
231.10291	3.2
234.04247	2.5
248.13120	31.2
251.06894	6.6
279.02448	0.8
314.14255	1.5
359.16275	1.2
360.14697	2.6
377.09903	12.2
377.17273	8.2
378.10165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1782
Annotation	Ser Asp Arg
Peak:m/z	Relative Intensity
50.81630	0.3
70.06576	0.8
70.20367	0.5
86.09677	0.4
89.06094	0.3
91.05473	0.3
98.08106	0.3
98.23370	0.3
116.07085	0.4
120.08107	1.0
130.06511	0.5
147.04361	0.3
150.61403	0.2
215.12532	8.6
215.14622	0.5
217.73454	0.3
234.12457	0.7
313.74088	0.3
377.17789	100.0
378.18106	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66995	1.2
55.05515	9.3
55.90956	1.6
57.03437	2.3
59.04982	1.6
59.82061	1.3
67.05505	11.2
68.20376	1.2
69.03408	1.5
69.07075	7.1
71.04986	2.7
71.42461	1.7
73.48464	1.6
79.05486	4.0
81.07052	26.3
81.31879	1.4
83.04980	2.0
83.08615	4.5
85.02902	3.5
85.06537	2.7
91.05469	8.1
93.07050	7.2
95.04984	2.2
95.08601	30.8
97.06522	5.2
97.10156	2.1
99.08108	2.5
105.07017	9.1
107.08588	3.8
109.06467	2.1
109.10171	2.5
109.17963	1.4
113.09711	1.4
119.08588	13.5
121.10149	5.1
123.08056	2.8
133.10130	9.4
135.11682	5.5
137.13220	6.6
161.13251	32.7
161.14523	2.2
179.14293	28.1
191.50662	1.3
197.15340	6.9
349.10541	5.6
377.09937	100.0
378.10147	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	377.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73356	1.4
57.07073	100.0
69.07069	5.3
69.49934	7.3
70.06586	3.1
71.08627	85.6
72.08949	1.5
73.06544	1.9
85.10178	49.5
85.50715	1.5
89.06024	92.8
98.22530	1.5
99.11719	4.7
105.00106	1.8
106.86285	1.6
107.07058	6.1
113.13325	4.3
115.08707	3.9
119.01649	3.6
130.08601	2.1
133.08592	34.6
151.09666	4.9
162.21594	1.5
177.11234	7.6
189.71992	1.9
195.12262	31.6
263.93787	1.7
377.32422	5.4
393.98795	1.6
398.37308	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	378.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20905	0.6
51.35716	0.6
56.19761	0.5
68.99789	0.7
69.28701	1.6
69.29088	1.1
79.01841	1.2
81.04512	1.5
92.74056	0.6
94.35462	0.5
95.02400	0.6
98.22765	1.4
105.03372	1.7
105.04500	0.7
107.78468	0.6
113.03506	1.4
120.05653	0.7
129.04585	0.9
132.05602	1.2
144.05530	1.9
145.03989	0.6
149.05957	2.0
151.60355	0.6
157.03920	1.1
158.03487	1.5
160.05064	3.0
161.03430	1.1
163.14696	0.6
172.05035	3.9
184.05046	2.2
186.02951	1.5
200.04535	6.6
201.02959	1.2
212.04517	11.1
214.02480	2.3
218.74361	0.6
228.04044	1.9
232.03514	1.5
246.04953	0.8
256.03510	100.0
256.26321	1.2
257.03882	5.0
274.04636	3.7
332.10431	0.7
360.09756	63.1
361.10028	5.1
377.31628	1.7
377.36710	0.8
378.10907	2.0
378.30005	1.2
393.03860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1084
Annotation	SB 203580
Peak:m/z	Relative Intensity
57.00922	0.2
68.99773	0.5
70.93169	0.4
79.05498	0.2
81.04534	1.6
89.08053	0.2
91.05453	0.3
91.81124	0.2
94.04021	0.5
95.02403	0.8
102.33418	0.2
105.03397	0.3
105.04480	0.8
109.03958	0.4
113.03448	1.1
117.04471	0.4
119.02358	0.4
120.05533	0.9
121.03805	0.2
130.03983	0.5
132.05554	1.6
144.05545	1.1
145.03935	0.4
149.93762	0.3
157.03934	0.7
158.03441	1.1
160.05051	3.3
161.03410	0.7
172.05035	4.0
173.03487	1.1
177.03014	0.3
184.05020	2.7
185.03499	0.3
186.02957	1.1
188.04497	0.7
200.04541	5.2
201.02988	1.1
201.04680	0.3
204.04041	0.4
212.04521	9.8
213.04938	0.3
214.02478	1.8
219.04071	0.3
228.04053	2.0
229.02361	0.6
230.05574	0.3
232.03462	1.7
241.04474	0.2
246.05017	0.5
249.84258	0.2
256.03500	100.0
257.03830	4.5
274.04489	2.7
292.06253	0.3
318.08545	0.3
318.12152	0.3
320.09146	0.7
332.10275	0.5
360.09750	52.8
361.10059	4.0
374.06558	0.3
378.10797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00925	0.7
55.05508	6.2
56.05030	1.2
57.05791	0.9
64.19913	0.8
67.05484	1.1
67.64519	0.7
69.07056	2.4
69.61576	2.5
72.08148	76.2
72.74031	0.7
74.55253	0.7
79.05482	1.6
81.07056	1.6
83.04987	0.9
86.09700	100.0
87.10020	1.8
89.06020	1.2
89.29250	0.8
91.05487	3.0
93.07037	2.6
95.08584	1.8
103.05462	3.0
105.07028	2.6
107.08543	1.3
117.06962	1.2
119.08579	2.1
120.08097	76.7
121.02855	1.4
121.08430	2.8
122.02694	1.8
131.08554	1.3
143.08601	1.7
145.10115	1.3
149.05983	0.8
157.10179	2.4
159.11661	1.6
166.08604	5.5
171.11687	1.3
181.10124	0.9
183.11671	0.8
185.13213	3.1
185.16470	49.0
186.14157	0.9
186.16838	1.4
213.15962	18.1
219.13313	0.9
219.14970	7.6
223.70117	0.9
233.16495	14.7
247.14409	2.9
259.05774	6.1
261.16003	3.9
265.15390	6.1
269.15363	2.4
273.03088	1.0
277.06799	30.1
279.14301	1.0
279.16949	4.4
280.02859	1.0
287.16415	1.2
297.14859	3.6
305.07526	1.0
309.06119	1.5
315.15762	4.0
335.11182	1.0
346.11102	2.0
351.08685	2.0
356.05798	1.4
357.31784	0.9
361.10434	1.1
364.12088	1.2
378.10251	16.9
378.15146	1.4
378.21405	2.1
379.02118	2.1
379.11487	19.8
379.16824	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2387
Annotation	Ile Val Phe
Peak:m/z	Relative Intensity
55.05510	4.1
56.05030	0.5
57.05794	0.6
59.04998	3.4
69.07068	7.1
70.06599	0.7
70.76772	0.4
72.08150	42.1
73.08466	0.4
75.18401	0.4
86.09698	100.0
87.10026	1.9
89.06010	1.2
93.07034	0.6
95.05018	0.4
100.07603	0.5
103.07570	1.8
120.08104	8.6
121.02876	2.6
131.06375	0.8
136.90479	0.5
136.95039	0.5
147.10144	1.4
152.60823	0.4
157.16998	0.6
163.50487	0.4
166.08611	4.9
177.05449	4.1
185.16476	44.4
186.16817	1.4
198.09706	0.5
213.15962	18.3
214.16342	0.9
240.16933	0.5
265.15399	4.8
271.90933	0.4
272.67642	0.4
277.06839	3.5
319.04498	1.2
361.05499	1.2
378.10132	0.8
379.11560	2.8
379.21786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88554	0.2
69.52050	0.5
86.34768	0.2
91.05444	0.5
108.02055	0.4
110.03632	0.3
111.05478	0.3
118.04111	0.8
119.04880	0.7
121.02909	0.3
128.80916	0.2
136.01535	0.6
137.02354	1.4
138.03094	2.3
145.02887	0.3
151.03934	0.3
154.02545	0.4
155.03343	0.6
166.02623	2.2
167.03305	0.3
172.37027	0.2
181.04947	6.9
182.05280	0.4
184.03629	1.3
191.09177	0.2
195.61838	0.2
199.21083	0.2
209.05873	0.2
213.05330	0.4
226.06264	0.5
227.06979	1.7
228.07634	0.4
237.05444	0.4
241.04933	2.2
251.07072	0.2
252.07700	0.3
254.05669	2.1
255.06519	14.7
256.07208	4.0
257.07803	0.3
266.05829	0.3
267.06564	1.0
270.08896	1.1
271.09650	5.0
279.06525	1.4
281.08133	0.5
282.05383	0.2
283.06012	4.7
284.06775	22.2
285.07062	1.4
297.07535	0.8
298.08289	2.5
299.09122	100.0
300.09470	6.0
361.18182	0.2
373.26245	0.2
379.04822	12.8
380.05054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53387	0.2
64.04454	0.2
68.99754	0.2
69.38998	0.4
69.39403	0.7
74.64793	0.2
91.05467	0.9
95.01289	0.2
96.01786	0.2
100.11195	0.2
103.05402	0.2
105.06999	0.2
108.02081	0.2
109.04723	0.2
118.04116	0.8
119.04865	0.6
121.02819	0.5
125.02321	0.2
131.04887	1.0
135.99176	0.2
136.01486	0.3
137.02374	1.2
138.02242	0.2
138.03120	2.3
145.02815	0.2
147.04282	0.2
149.02266	0.2
151.03873	0.3
154.02611	0.3
155.03403	0.4
162.05449	0.3
165.06856	0.2
166.02600	1.8
167.03342	0.3
169.76508	0.2
173.05910	0.2
180.04149	0.3
181.04944	6.8
182.05280	0.2
184.03671	1.2
187.03877	0.4
213.05385	0.3
226.06212	0.5
227.06975	1.7
228.07701	0.3
235.62668	0.2
241.04916	2.7
251.06949	0.3
252.08017	0.3
254.05707	2.4
255.06514	15.0
256.07202	4.1
257.07712	0.2
267.06570	1.1
270.08942	1.1
271.09662	5.8
272.09879	0.4
275.05518	0.5
279.06555	1.6
281.08047	0.5
282.05133	0.4
283.05981	5.1
284.06787	21.8
285.07132	1.3
293.06509	0.3
297.07590	0.8
298.08337	2.5
299.09122	100.0
300.09451	6.0
334.92416	0.2
348.08710	0.3
353.14743	0.2
379.04822	14.0
379.09427	0.5
380.05295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68136	1.3
65.16440	1.0
67.98524	1.0
68.87088	1.1
68.88382	1.0
70.06573	1.3
70.97765	1.4
86.09698	1.3
91.05473	3.3
97.02906	1.5
107.62188	1.3
115.91329	1.0
135.60802	1.3
147.04486	1.5
151.03835	1.4
152.05663	3.2
154.41512	1.2
163.23796	1.4
271.04172	3.6
293.09839	5.6
335.11002	35.4
336.11566	1.2
379.09979	100.0
380.10336	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	379.1154
Annotation	METHYL ROBUSTONE
Peak:m/z	Relative Intensity
55.05513	0.8
63.64119	0.6
69.60441	2.1
70.06596	1.7
95.08685	0.8
98.98492	1.5
99.40602	0.8
113.00015	7.9
147.04376	0.9
173.30237	0.8
187.07266	1.1
231.06287	1.0
237.96852	0.9
247.03497	0.7
259.05789	15.4
272.25867	1.2
277.06912	6.9
300.08597	0.7
333.10928	1.1
338.04861	0.9
347.18127	0.8
354.49335	0.7
378.32227	3.0
379.11520	100.0
380.11841	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	379.1152
Annotation	METHYL ROBUSTONE
Peak:m/z	Relative Intensity
57.03430	0.8
57.07061	0.7
70.06583	1.1
70.09098	1.9
79.05457	1.1
87.14764	0.6
92.57238	0.6
105.07045	0.8
108.15887	0.6
113.00038	1.6
119.08570	0.7
119.90607	0.6
127.01525	0.7
135.78447	0.6
143.61917	0.6
165.78418	0.8
227.25580	0.9
252.36996	0.7
259.05771	13.1
269.66470	0.6
272.25769	2.0
277.06796	6.9
347.47693	0.7
351.65567	0.8
360.72079	0.7
378.32034	2.8
379.11478	100.0
380.11865	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	379.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.2
53.03938	0.7
54.14851	0.3
55.01868	0.6
55.26506	0.3
65.03928	0.7
68.99788	3.5
71.42828	0.4
77.03910	0.6
79.05486	0.8
87.46475	0.4
91.05479	4.2
91.56907	0.3
95.04966	1.9
99.00809	0.9
103.05459	27.8
104.05772	0.6
105.03365	0.4
105.04498	0.4
105.07024	8.8
106.07366	0.4
107.01314	1.1
107.04954	3.7
108.99222	3.0
109.02882	0.5
111.00779	1.1
115.05446	2.4
117.07007	2.1
119.04930	8.0
120.75177	0.3
121.02850	4.8
121.06515	2.2
123.04412	1.4
127.03818	0.3
128.06215	0.8
129.06960	1.6
131.04913	100.0
132.05228	3.0
133.06476	22.0
134.06766	0.6
135.04367	0.5
135.08051	0.5
136.98680	1.2
139.05435	0.6
141.06950	2.3
143.04878	0.6
145.06474	4.5
147.04393	53.5
148.04721	2.0
153.01817	0.4
154.99738	5.9
155.04900	1.0
155.06036	0.9
157.06483	5.6
159.04430	2.0
160.05177	2.4
161.05965	4.7
163.03807	0.6
163.26894	0.3
165.06973	1.0
169.06406	1.1
171.04366	1.2
173.00893	2.1
173.02191	0.6
173.05983	5.0
174.06346	0.4
175.07471	1.2
177.05424	1.4
183.04384	1.5
183.08017	1.4
185.05965	10.2
186.06281	0.5
187.03882	2.4
187.07507	1.1
189.05446	0.7
197.05904	0.7
199.03918	1.2
201.05443	7.8
203.07007	5.1
205.04979	0.5
209.09605	1.8
211.03940	0.8
211.07567	0.5
213.05435	7.2
215.03325	1.2
215.06937	2.4
219.06531	1.7
229.04967	3.4
231.06502	3.4
233.04396	2.0
239.06927	1.1
241.04915	6.6
247.05945	2.2
257.04425	12.4
258.04718	0.8
259.05981	6.6
260.06366	0.4
275.05469	38.5
276.05814	2.5
291.10342	0.4
293.06516	4.3
305.11758	1.7
317.11710	1.0
319.09561	2.4
333.11111	1.1
335.12723	2.2
356.02213	0.4
360.01385	0.8
361.10635	3.7
373.99277	0.5
375.03699	1.0
379.11700	11.1
380.11771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
65.03921	1.2
68.99798	2.1
69.21352	1.1
69.21767	2.7
72.08157	1.1
79.05506	1.1
80.05000	1.8
81.03409	1.4
83.52123	0.7
91.05459	2.2
92.04977	1.6
93.03443	1.0
94.06570	3.8
98.06067	1.9
103.05469	4.5
105.03387	2.8
106.06561	1.4
108.04458	3.6
110.02382	0.8
110.06004	1.7
115.05457	1.2
117.07011	5.6
118.06567	1.0
119.04953	1.2
120.04460	5.5
121.06466	1.6
122.06001	1.3
129.07005	1.3
129.93271	0.6
131.04912	14.9
132.04451	0.9
134.06009	1.3
138.01845	6.0
140.03467	0.7
141.06944	1.1
145.06454	1.3
146.06020	1.4
147.04427	3.4
148.03914	7.3
153.01778	1.5
155.04877	0.7
157.06459	2.3
160.03819	0.9
162.05551	1.5
166.01346	8.3
166.04982	3.6
167.02113	4.4
168.02902	1.8
171.04449	1.2
174.05479	2.4
178.01358	8.7
181.10019	0.8
184.02402	1.7
185.03282	1.6
185.05977	2.7
188.03421	3.2
189.01831	0.7
190.01320	1.9
190.04941	2.5
192.29042	0.7
197.06062	0.9
201.04204	1.3
202.04967	8.3
203.07089	1.2
204.02893	2.9
206.04373	1.4
207.02859	0.8
208.02316	0.8
213.05519	1.6
216.02847	1.8
225.05402	2.7
228.94257	1.0
230.04460	29.6
231.05174	7.0
232.06033	8.1
234.03958	0.7
241.04887	0.8
241.97354	1.1
242.08136	1.6
248.05571	2.7
249.06108	0.8
256.03586	1.6
257.03860	1.5
258.03961	64.7
259.04156	2.2
259.06259	2.2
259.98346	0.8
270.05029	1.0
270.07492	4.6
271.08304	1.0
273.05136	1.5
275.06287	1.6
276.04968	4.0
277.07025	12.5
282.07523	8.1
292.09741	0.8
299.05557	1.0
308.09140	1.1
320.09167	3.6
334.10703	7.2
335.11414	2.8
336.12271	7.7
337.12622	0.8
342.00287	1.4
360.01495	2.8
361.10059	2.5
361.16733	0.9
362.10193	61.8
363.10324	4.2
373.99377	1.5
375.03821	6.1
378.02298	1.1
379.12820	100.0
380.13171	7.2
393.04962	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66847	0.7
56.53173	0.8
60.37915	0.8
67.64083	0.9
70.54280	0.8
70.69097	1.1
75.45325	0.8
87.04477	6.3
89.06025	1.9
100.88103	0.8
133.73619	0.8
185.04208	4.6
201.05324	1.0
216.07574	7.8
217.08351	12.4
289.83502	1.0
308.08655	1.0
333.08615	1.1
379.13681	100.0
380.14014	7.3
388.50650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1577
Annotation	Abafungin
Peak:m/z	Relative Intensity
62.80184	0.7
69.38878	0.7
70.06597	2.2
74.06077	0.9
78.86171	0.7
86.09695	1.0
89.21149	0.6
91.41856	0.7
98.97594	3.0
105.94922	0.7
107.56484	0.7
116.98648	1.2
120.08018	0.6
136.74403	0.7
152.42599	0.7
156.40204	0.7
158.99728	0.7
175.02757	1.2
177.00725	1.8
188.84717	0.7
208.33482	0.6
215.42842	0.6
217.10480	10.0
229.75790	0.8
379.15720	100.0
380.16129	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	379.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05505	9.4
56.05030	2.2
57.07071	6.3
58.99577	2.3
59.83904	0.5
60.04508	0.8
61.01158	0.7
62.99072	11.7
66.79602	0.6
67.05504	6.5
69.07063	100.0
70.02950	1.3
70.07407	1.3
71.18834	0.5
72.49232	0.7
73.01154	0.9
74.00661	3.6
76.02230	1.2
76.10041	0.6
77.00616	1.4
79.05543	0.6
81.07046	0.8
83.06116	1.1
83.08620	1.8
84.04498	45.5
85.04832	0.8
86.99059	1.4
87.02688	18.6
88.02229	4.4
88.03986	11.6
93.07035	0.6
99.02702	0.7
101.04236	2.6
102.05535	1.7
105.00078	1.2
109.10159	2.7
110.06040	1.3
111.11711	30.7
112.12063	0.9
120.01153	1.3
122.02735	3.3
125.07104	1.7
128.14352	0.8
129.06596	1.7
130.04988	9.5
134.02711	1.2
142.03236	3.0
143.08896	8.9
145.10506	1.9
154.05014	1.8
159.08353	1.3
161.09944	59.9
162.10280	1.5
169.10458	1.8
171.07649	3.3
186.13159	2.2
187.11534	1.9
188.03777	2.4
199.07141	1.1
200.05504	0.8
215.11006	19.6
216.11336	0.7
217.08197	3.4
232.13635	16.7
233.12038	36.2
234.12386	1.3
249.05450	2.9
250.14690	19.6
251.15047	1.0
298.14645	1.8
316.15656	1.1
344.15421	1.4
361.17798	4.8
362.16327	2.0
374.52493	0.6
379.18912	13.3
379.23508	1.0
380.19153	0.7
404.53497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92969	1.3
55.05508	11.1
56.84228	1.1
57.07059	4.0
67.05499	13.3
69.07065	16.2
69.83688	2.5
69.84020	1.5
71.04990	7.3
71.08626	1.6
73.06531	1.3
79.05487	12.3
81.07050	25.4
83.04971	3.9
83.08601	3.3
85.06539	4.2
89.06017	4.2
91.05470	10.7
93.07035	20.1
95.04975	3.5
95.08603	15.9
97.06511	5.0
97.10147	1.7
98.02422	1.0
99.08078	2.0
105.07034	11.2
107.07927	1.9
107.08590	20.1
109.06512	9.4
109.10143	6.0
111.08087	3.6
119.08567	7.6
121.10121	8.0
123.08056	8.1
123.11691	4.2
125.06011	1.5
125.09622	1.2
131.08556	1.9
133.08594	2.2
133.10149	4.5
135.08041	35.5
135.11682	5.9
137.05969	3.8
137.09575	1.6
139.07527	5.5
145.10112	2.5
147.11678	10.6
149.09608	5.8
149.13258	2.3
150.06729	2.3
151.07555	1.9
152.08328	2.8
153.09091	3.2
153.12740	1.7
161.09676	1.5
163.11133	1.3
165.09114	32.0
165.12773	7.4
175.11087	1.4
177.12733	20.9
178.32764	1.1
179.14272	1.7
183.13763	5.8
187.13281	1.9
191.14320	1.9
193.12242	2.3
195.13829	2.0
197.15323	7.4
201.14835	7.2
208.14630	1.5
221.36949	1.3
280.06384	1.1
291.19479	2.0
305.20966	4.0
312.77597	1.4
319.26224	1.4
323.22290	1.8
329.24826	1.8
347.25784	100.0
348.26190	8.2
370.63861	1.4
379.24228	1.8
379.28430	11.9
403.94470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99784	2.7
69.13316	4.1
76.01880	1.6
77.00297	3.5
77.00691	0.6
77.99809	5.6
82.02930	0.8
91.05466	0.8
92.01366	0.7
92.99757	2.5
94.02925	2.2
95.04980	1.3
103.05466	18.3
104.01353	5.7
104.05795	0.7
105.03392	3.2
115.05473	1.2
122.02393	6.8
123.00867	1.3
124.00301	1.4
131.04921	39.1
132.00807	13.1
132.05287	0.9
139.05441	1.7
141.01833	5.1
143.04892	0.7
150.01826	2.6
154.01341	0.8
160.00293	96.6
161.00609	3.2
166.06407	1.6
167.04865	1.1
178.01352	19.2
179.01694	0.8
179.99380	0.8
180.04420	1.5
187.99786	1.4
194.06027	2.1
195.04416	1.0
196.02464	2.1
198.00339	16.2
199.00742	1.0
203.99246	1.8
206.00890	5.4
210.00310	1.0
216.01285	3.9
218.04460	5.7
222.00330	2.6
222.05507	2.8
224.01888	1.6
226.28261	0.7
235.07208	0.6
237.99892	1.5
240.01262	4.1
243.98756	33.9
244.99088	1.2
248.01929	0.8
250.05072	2.5
261.99829	83.5
263.00040	3.5
276.01181	1.4
280.00870	42.0
281.01312	1.8
294.02347	3.3
296.05527	1.9
300.04980	9.4
306.03937	14.1
315.10077	0.7
322.10806	3.7
324.05002	8.2
339.13370	1.3
348.05002	100.0
349.05322	6.9
364.13019	2.0
366.06082	59.6
367.06375	4.7
380.07608	20.7
380.12387	1.4
380.27676	0.8
381.07919	1.6
381.15463	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	380.1122
Annotation	Dehydropuntarenine
Peak:m/z	Relative Intensity
58.13811	0.7
60.31477	0.7
65.03918	0.9
67.05497	1.0
69.51192	2.0
69.51589	1.7
70.04062	2.3
79.05473	1.5
81.07056	1.0
83.05405	0.8
83.08597	0.7
91.05480	2.0
93.07025	1.5
94.04173	1.1
95.04969	1.3
96.95950	0.7
97.06577	0.7
98.23425	1.4
105.07007	2.0
108.64401	0.7
109.06528	1.0
111.04447	1.4
119.04931	2.2
121.02860	23.6
123.04414	1.0
125.01539	1.7
127.01540	1.3
142.06114	4.9
145.02850	1.9
147.04391	2.8
151.03909	2.1
162.05484	4.0
164.04689	2.7
177.05618	0.8
191.03368	1.3
192.04163	0.8
193.01292	0.9
202.04944	0.9
209.04427	1.1
210.05153	3.9
216.06528	3.6
217.04956	1.0
219.02995	1.4
224.05550	1.1
230.04462	12.2
232.09770	1.2
235.06056	2.1
237.03891	0.9
239.72723	0.8
255.97012	0.7
259.05746	0.8
260.06247	1.3
260.09167	2.5
267.06479	0.9
292.09595	1.0
293.08118	1.3
309.07550	16.5
310.08319	13.9
311.05466	2.2
320.09259	1.2
323.09201	4.5
324.08755	3.0
332.02063	1.0
335.09085	0.9
336.08673	1.9
337.06891	3.0
338.07773	3.8
339.08652	1.0
346.00031	1.1
347.07825	1.0
351.08261	1.4
352.11920	0.9
353.10150	1.0
355.08148	2.2
355.98557	1.3
357.03107	1.0
360.01529	4.7
362.10361	1.9
363.08527	1.4
373.99503	1.4
375.03864	7.5
378.02795	2.6
380.11386	100.0
381.09418	23.0
381.17441	1.5
381.22412	15.6
393.04825	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	380.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27908	2.1
60.05650	3.7
69.82302	7.2
70.06584	9.4
70.22262	2.1
74.31808	2.0
86.34895	1.7
97.07677	3.6
98.23325	2.6
116.07095	3.2
118.04668	2.7
137.05890	2.0
152.06596	1.8
171.10988	1.8
173.07938	2.1
175.11906	3.2
177.00967	8.8
197.07684	2.2
201.02077	3.6
215.08791	3.7
218.03598	2.6
219.01991	15.0
226.04051	15.4
227.07501	2.4
228.05745	4.2
233.02534	2.2
242.55495	2.1
243.03305	2.4
243.06732	5.2
244.05127	9.4
250.05266	2.6
253.05080	4.3
255.06770	7.7
258.99927	2.1
260.99884	2.6
262.05215	7.4
268.05258	4.3
271.06281	2.5
273.07928	3.0
279.07657	8.3
280.06055	10.1
283.00366	2.3
285.00110	2.4
297.08630	13.7
298.07233	23.3
301.00949	3.8
303.00909	4.1
313.07181	2.1
314.03418	2.6
315.08853	67.2
316.09140	6.8
320.03131	2.6
320.95746	2.2
321.08838	8.5
338.96722	4.6
339.09955	18.9
356.04819	2.6
356.97711	2.5
357.11050	100.0
358.11093	11.7
380.12512	2.5
380.97531	4.6
381.11499	3.0
398.06717	2.5
399.12094	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	380.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	11.8
69.36522	13.3
69.36912	9.6
70.06599	24.6
77.51205	5.8
79.05489	16.4
81.03427	8.7
81.07047	53.2
84.08141	10.6
85.02906	21.6
91.05497	8.7
94.75582	6.1
95.04975	35.6
98.97574	21.2
109.06515	66.4
112.07619	28.9
116.98605	14.1
119.04939	11.3
120.49313	6.2
121.06514	6.5
137.05952	100.0
145.04961	6.3
147.04401	34.7
165.05490	64.0
183.06509	62.1
238.43112	7.2
380.15921	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	380.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36844	0.8
53.03933	2.1
54.90872	0.8
59.06123	3.9
67.05447	0.8
69.68925	2.2
69.69258	0.9
69.93216	0.8
70.06587	83.2
71.06917	0.9
79.32556	0.9
79.43206	0.8
82.06583	0.7
83.06114	1.3
89.03503	3.2
94.06565	3.0
95.04944	2.6
95.06029	0.9
98.22745	1.4
111.09166	0.9
112.07596	100.0
113.07946	2.3
121.48253	0.7
136.94011	0.9
139.08655	2.2
156.11302	10.2
182.09145	0.9
200.10294	15.6
244.18147	0.9
265.80194	0.8
274.12683	1.0
280.68692	0.8
301.00955	1.9
302.95038	0.8
374.88962	1.9
378.52359	0.8
380.97128	1.5
381.08047	1.9
397.94745	1.4
398.97894	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	380.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63665	21.7
66.00661	23.3
71.43136	34.0
79.05503	32.1
85.02948	48.9
93.07011	27.4
95.08517	26.7
105.01853	39.5
105.07032	69.7
119.05021	23.6
119.08607	42.6
120.08169	23.7
127.03909	43.5
145.10123	57.5
169.10104	27.6
171.11707	34.3
187.14914	31.7
217.84355	30.8
225.16298	52.8
247.82086	24.9
253.15942	59.9
271.16879	100.0
281.15344	63.1
286.04688	28.5
289.00629	23.8
299.16452	85.9
301.07077	57.0
311.05487	37.2
317.17377	59.0
317.76456	24.7
327.15735	43.7
345.16779	61.6
352.62048	24.6
363.08502	70.4
363.18048	58.9
374.07849	25.9
381.09427	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0274
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
62.62329	0.2
68.99768	0.6
69.26459	0.7
69.26868	0.4
70.60147	0.2
84.02092	0.7
91.05485	2.1
97.91199	0.2
99.00813	0.4
99.09076	0.2
108.02042	0.2
111.05507	0.2
112.01560	1.1
118.04134	0.4
119.04948	1.4
119.26202	0.2
120.05704	0.2
121.02820	0.8
124.01501	0.2
127.00243	0.6
131.04863	0.5
136.01544	0.5
137.02325	0.2
140.01028	2.4
143.54436	0.2
152.01018	0.7
153.01825	1.4
154.02606	0.3
164.12711	0.2
168.00533	11.8
169.01274	0.9
170.02083	0.2
181.01295	0.4
182.02071	0.2
183.02876	10.3
186.01581	4.8
195.04384	0.4
198.01614	0.4
212.04646	0.3
226.06107	0.2
253.04948	0.3
254.05713	1.6
257.04514	0.3
258.05280	3.3
259.05569	0.3
268.03653	1.9
269.04346	1.2
271.05984	4.3
272.06329	0.2
277.89236	0.2
281.04483	0.4
282.05161	1.0
283.05948	0.8
285.03931	2.1
286.04691	31.4
287.05133	1.6
299.05515	3.6
300.02832	0.4
300.06250	5.1
301.07043	100.0
302.07385	6.1
322.10785	0.3
381.02725	7.2
382.02914	0.6
383.85187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0277
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
51.12100	0.2
53.32863	0.2
54.67410	0.2
55.01862	0.4
55.45905	0.2
57.45985	0.2
65.71557	0.2
68.99779	0.8
69.03117	0.3
69.03429	3.0
69.69348	1.0
70.06585	0.3
79.05495	0.4
81.03400	0.7
84.02090	0.4
85.02889	1.1
87.00806	0.4
91.05473	2.0
97.02868	0.8
99.00787	0.5
99.04454	0.7
100.07569	0.8
105.01849	0.3
109.02875	0.3
111.04398	0.3
112.01603	1.5
115.03896	0.3
118.04096	0.4
119.04911	1.0
121.02830	0.9
124.01527	0.3
127.00268	0.9
127.03899	0.9
131.04903	0.6
136.11171	0.3
140.01042	2.7
145.04948	0.6
152.01035	0.6
153.01822	1.0
154.02647	0.4
168.00545	12.8
168.05673	0.3
169.01213	1.0
173.05977	0.3
181.01343	0.3
183.02892	11.1
184.03160	0.3
186.01601	5.7
241.07137	0.5
254.05739	1.1
257.04395	0.4
258.05246	6.0
259.05753	0.3
268.03613	1.7
269.04413	1.2
270.04980	0.3
271.05966	3.4
273.07547	3.3
281.04526	0.4
282.05310	0.6
282.19214	0.3
283.06052	0.8
285.03894	2.0
286.04709	31.8
287.05124	1.4
299.05457	2.9
300.06265	3.7
301.07059	100.0
302.07416	5.5
327.06918	0.3
353.07034	0.3
363.18060	0.4
380.28909	0.4
381.02731	11.8
382.03027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0275
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
52.78624	0.3
54.83284	0.3
57.03428	0.3
58.18259	0.2
68.99799	0.7
69.04549	0.4
70.02739	1.0
70.06582	0.4
70.68192	0.3
71.01339	0.3
81.04538	0.8
82.05320	0.3
84.02116	0.5
85.02884	0.4
91.05473	2.8
97.02904	0.4
98.23391	0.4
99.00813	0.8
106.72567	0.3
107.04972	0.3
109.02949	0.3
109.06524	0.4
110.04760	0.7
111.05563	5.6
112.01582	1.4
118.04123	0.5
119.04926	2.0
121.02857	0.9
127.00264	1.0
131.04941	1.0
136.01511	0.4
138.05423	0.3
140.01025	2.0
147.04398	0.9
153.01810	0.8
154.02609	0.4
154.99730	0.4
165.01831	0.3
166.04999	0.7
168.00529	9.6
169.01326	1.5
171.52026	0.3
177.05396	0.7
181.01260	0.4
183.02885	9.0
185.00771	0.5
186.01601	6.8
186.03206	0.5
197.06018	0.3
202.01398	1.1
219.06493	1.2
220.02371	0.4
231.03960	0.5
240.44655	0.3
248.01865	0.4
254.05771	0.9
258.05237	5.1
259.03436	0.7
259.05911	0.4
268.03717	1.9
269.04416	0.8
271.05975	2.5
273.07605	3.9
277.04520	0.6
280.04642	0.3
282.05191	0.5
283.05893	0.7
285.03876	2.2
286.04694	29.5
287.04971	1.4
292.11169	0.3
294.14978	0.4
299.05450	2.7
300.03064	0.5
300.06186	2.7
301.07050	100.0
302.07385	6.0
304.40707	0.3
322.07156	1.0
353.41266	0.3
381.02795	10.6
381.11481	12.1
382.03046	0.7
382.12222	0.4
382.20688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0274
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
55.80033	0.2
68.99776	0.6
70.06570	0.4
84.02129	0.4
91.05483	1.6
98.23518	0.6
99.00822	0.6
112.01572	1.2
112.08677	0.3
118.04129	0.3
119.04945	1.5
121.02835	0.8
127.00219	0.5
140.01054	2.2
153.01784	1.0
168.00537	11.3
168.05670	0.3
169.01199	1.0
175.70811	0.2
183.02887	10.4
186.01596	5.7
187.02014	0.3
218.04497	0.6
253.04973	0.4
254.05772	0.5
257.04187	0.4
258.05246	6.8
259.05765	0.4
260.43790	0.3
268.03653	1.5
269.04425	1.0
271.05994	1.9
273.07559	6.1
278.07742	0.4
282.05200	0.4
283.05960	0.4
285.03912	2.4
286.04697	29.3
287.05011	1.5
299.05597	1.7
300.06235	2.0
301.07053	100.0
302.07404	6.2
381.02744	14.1
382.03082	1.1
382.13947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0274
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
56.84224	0.2
58.44112	0.2
68.99766	0.5
69.04684	1.2
69.05090	0.3
70.06552	0.3
80.65379	0.2
84.02111	0.6
91.05486	1.6
99.00805	0.5
112.01589	1.3
112.08689	0.3
114.13406	0.2
118.04139	0.8
119.04932	1.0
121.02843	0.7
127.00272	0.5
131.04907	0.2
136.01556	0.3
140.01030	2.4
152.00999	0.4
153.01787	0.8
154.02605	0.3
155.04922	0.2
168.00539	11.7
169.01320	1.2
183.02885	8.9
184.03279	0.3
184.05153	0.2
186.01588	5.2
218.04497	0.5
253.04938	0.6
254.05759	0.8
257.04446	0.3
258.05212	6.8
259.05731	0.5
268.03693	1.8
269.04446	0.8
271.05927	1.8
273.07571	5.7
274.07852	0.3
281.04422	0.3
282.05157	0.8
283.05899	0.5
285.03845	2.1
286.04697	33.0
287.05103	1.9
299.05551	2.4
300.06335	1.8
301.07043	100.0
302.07376	6.1
302.10690	0.4
322.10776	0.2
381.02710	17.6
382.02963	1.1
382.13950	0.6
392.31049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0274
Annotation	Rhamnocitrin 3-O-sulfate
Peak:m/z	Relative Intensity
52.28689	0.2
68.99800	0.4
84.02117	0.5
84.16451	0.2
91.05488	1.7
99.00808	0.4
101.69278	0.2
108.02250	0.2
112.01552	1.2
118.04156	0.3
119.04945	0.8
120.05656	0.2
121.02856	0.8
124.01514	0.2
127.00253	0.6
131.04889	0.2
136.01553	0.2
137.02281	0.2
139.00275	0.2
140.01045	2.5
151.00172	0.2
152.01036	0.6
153.01823	0.8
168.00542	11.3
168.05644	0.3
169.01343	1.1
177.60527	0.2
181.01231	0.3
183.02888	9.9
184.03328	0.3
184.05093	0.2
186.01590	4.9
204.59052	0.2
218.04445	1.6
244.03708	0.2
253.05058	0.2
254.05702	0.6
258.05234	6.6
259.05762	0.3
268.03659	1.5
269.04349	0.9
271.06018	2.0
272.06161	0.2
273.07562	5.8
274.07935	0.3
281.04300	0.2
282.05118	0.3
283.05951	0.6
285.03912	1.9
286.04697	28.5
287.05096	1.3
297.03412	0.2
299.05490	2.0
300.06296	2.6
301.07050	100.0
302.07422	5.4
322.10651	1.0
339.13297	0.3
364.12604	0.3
365.87958	0.2
381.02713	16.2
381.15695	1.3
382.03052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85303	1.5
83.03510	1.0
96.63801	1.1
107.49339	1.0
201.01625	4.1
206.68791	1.1
219.02681	3.7
381.07922	100.0
382.08243	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	381.097
Annotation	Preussomerin EG3
Peak:m/z	Relative Intensity
55.05545	0.7
57.03453	0.7
59.05033	0.9
65.03979	1.3
67.05550	1.3
69.03468	1.2
70.36014	0.9
79.01904	1.2
79.05529	0.9
81.03451	0.6
81.07066	1.1
85.02927	0.6
87.55079	0.4
91.05521	1.5
93.07081	0.6
95.04996	0.5
101.02422	1.1
105.07074	0.8
107.01315	14.1
107.04970	0.5
109.02887	0.5
109.06583	0.9
110.73095	0.4
110.76611	0.4
115.05525	0.9
117.07064	0.5
119.03468	1.7
119.04933	2.4
119.59389	0.4
120.03805	0.5
121.02865	12.9
121.03774	0.7
121.06562	0.8
126.01079	5.1
126.01872	0.4
127.01637	0.6
128.02634	4.0
131.04970	1.0
135.00745	1.1
145.02815	2.0
147.04485	1.7
149.02377	0.9
149.06032	0.7
153.01886	0.9
163.03917	0.6
163.07486	0.4
165.01973	0.5
167.03534	1.3
171.04401	1.1
173.06021	1.3
173.08247	2.9
174.08961	0.5
174.38181	0.4
175.00345	1.8
177.05534	0.9
189.05533	0.7
191.07068	1.3
192.04059	0.5
193.01326	32.9
194.01746	1.1
199.03909	0.9
203.03360	0.5
209.05960	1.4
211.02367	19.3
212.02628	0.5
217.04990	1.9
219.02902	0.5
219.06531	0.6
221.00864	1.7
233.04463	0.9
235.06088	0.8
245.04430	2.8
267.06616	1.4
270.32080	0.4
276.07892	0.9
279.06790	0.8
283.06305	0.5
289.08737	0.9
291.10175	1.3
293.04504	1.0
295.06030	0.8
299.05527	0.5
300.10089	3.5
309.07593	3.4
309.10950	0.7
310.08386	3.0
310.62402	0.4
311.05475	76.0
312.05859	5.2
319.09271	0.5
320.06982	0.6
321.07507	1.1
323.05475	2.9
325.07043	0.8
334.06070	2.1
335.09369	3.1
337.06409	3.4
337.10489	1.0
338.07715	1.4
339.04919	4.3
339.08466	0.9
340.05573	0.5
348.06146	0.6
353.10248	6.3
363.08633	3.3
381.09579	100.0
381.18756	5.8
381.22760	1.5
382.09967	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	381.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.6
59.43684	0.3
69.03445	0.3
70.06580	0.8
84.08144	0.4
86.09714	0.8
97.02899	0.6
110.07174	1.0
136.06165	0.8
143.22638	0.3
152.03293	0.3
219.02931	0.7
251.14951	0.4
268.12756	0.4
381.11536	100.0
381.21310	2.8
382.07587	0.5
382.11954	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	381.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10194	0.2
66.41837	0.2
67.01839	0.5
68.04998	0.7
68.99767	0.7
69.03394	0.7
70.06580	2.0
76.59256	0.2
79.05466	0.3
80.05000	0.3
81.07039	0.3
83.06058	0.7
85.07660	1.5
86.06087	0.2
89.56091	0.2
91.05440	0.6
94.06521	0.6
95.01311	0.4
96.04471	0.2
97.07655	1.2
103.05415	0.8
105.06996	0.6
106.06541	0.3
110.07101	0.5
111.05553	1.3
111.07957	0.2
112.08688	1.2
121.02808	0.3
122.05992	1.1
122.06966	0.3
123.00792	0.4
124.08675	1.2
125.07096	1.5
131.04915	3.3
134.05989	0.6
135.00790	0.3
139.08600	0.3
148.08615	0.3
149.02312	0.4
150.05455	0.8
150.06604	1.8
162.05481	2.6
163.00270	3.1
166.01369	0.3
167.08188	0.6
168.07672	4.8
169.05975	0.3
174.05475	1.8
176.03242	0.4
177.01807	1.0
181.01280	0.6
185.00800	0.5
190.01337	1.8
190.04938	1.5
190.99738	4.3
192.07771	0.6
193.06094	2.3
194.04341	0.3
202.99582	0.3
205.01280	3.2
205.27693	0.3
208.02374	1.1
209.00790	7.8
210.00972	0.3
211.07079	0.4
216.02895	0.3
218.04453	100.0
219.04803	4.0
232.07199	0.5
235.07103	7.0
236.05453	4.3
236.07558	0.3
243.04019	1.5
244.07141	1.3
245.07484	1.8
249.00246	1.2
260.06644	5.5
262.94022	0.2
267.01367	0.6
271.05960	0.6
278.07813	1.1
280.09686	1.0
286.04865	0.3
295.05972	4.4
296.06219	0.3
301.06952	0.7
309.07382	0.3
322.10696	52.8
323.11136	3.7
339.13370	9.5
340.13666	0.3
347.10257	0.3
353.06564	0.4
364.12881	21.5
365.13351	1.6
381.15564	60.3
382.16055	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	381.188
Annotation	Pro Gln His
Peak:m/z	Relative Intensity
50.31854	0.5
53.92456	0.5
54.59719	0.4
55.59011	0.4
67.05493	0.7
69.13336	3.1
70.03731	0.4
71.87225	0.4
81.07009	0.8
91.05528	0.7
93.07021	0.7
95.04961	0.6
102.65208	0.5
105.07011	0.6
106.68320	0.4
108.36613	0.5
121.02873	1.4
139.77029	0.5
143.52621	0.4
261.07327	0.6
381.13364	7.4
381.18774	100.0
382.13855	1.0
382.19089	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	381.1907
Annotation	Hebeirubescensin H
Peak:m/z	Relative Intensity
53.97842	22.1
61.74077	23.0
69.03440	22.9
69.82182	73.8
73.85076	23.7
81.07018	31.5
91.70753	21.0
105.07022	62.7
117.93568	24.1
119.08586	49.9
121.02866	26.3
131.08537	27.2
163.03917	65.3
187.14832	29.2
193.01262	23.5
219.06485	47.7
225.16531	28.9
271.17068	46.2
299.16501	31.3
301.07043	100.0
311.05536	38.6
312.97952	38.7
330.99091	23.4
345.16885	28.3
358.98425	42.1
363.08661	67.1
381.09653	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	12.7
69.82923	8.5
71.95280	2.8
73.86018	2.3
79.05479	3.8
81.07059	4.2
91.05485	2.4
97.96781	3.9
110.97578	7.6
121.02866	3.9
128.98587	7.9
142.36609	2.9
154.15521	2.7
166.72768	2.8
183.96696	2.7
195.70038	2.9
199.06425	7.1
211.02704	3.2
217.07487	6.5
224.85352	2.9
229.07500	11.0
247.08528	8.4
255.08974	3.3
265.11099	7.8
269.10541	6.0
283.12170	24.2
301.13214	7.2
311.11624	3.1
329.12558	5.9
331.15628	9.1
333.17496	3.0
349.16864	7.3
381.09946	6.3
381.19485	100.0
382.13242	3.8
382.19952	8.1
399.20343	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	381.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04403	11.1
52.92143	10.2
56.96559	37.3
63.38820	10.8
69.78094	38.4
81.07041	22.6
93.07010	15.4
107.04948	51.8
117.07009	13.4
147.04362	13.2
158.23473	11.8
199.14281	11.8
201.05421	25.7
213.70253	11.2
219.06555	14.0
229.07477	34.8
247.08452	40.1
262.07007	15.3
279.08856	23.7
321.11176	17.3
381.13123	54.1
381.19556	100.0
381.23767	19.8
382.13275	19.2
382.19467	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	381.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93366	0.7
55.05499	0.8
56.96565	2.0
57.03447	0.8
65.29821	0.7
69.07066	0.7
79.05524	0.8
82.38322	0.6
83.08620	0.9
91.05453	1.4
93.07062	1.6
100.11259	0.9
107.08555	0.6
107.58932	0.8
111.04428	0.8
119.04962	0.8
121.02865	5.5
131.44537	0.8
149.02374	2.1
170.15471	0.8
192.04321	0.8
193.01306	0.9
193.04996	2.6
210.05321	0.8
211.02467	1.4
221.03696	0.7
223.96524	0.9
241.97318	8.8
259.76108	0.7
259.98376	5.5
262.07156	1.3
268.99692	2.0
275.00977	0.8
287.01730	0.9
293.08081	1.2
295.15161	2.7
295.20157	0.8
302.44171	0.7
309.07544	5.2
310.08282	3.6
311.05515	1.5
324.06107	0.7
337.06824	1.1
338.07767	1.6
341.03479	0.7
343.01398	0.8
344.02097	2.1
347.00317	0.9
356.98633	2.2
359.04553	1.1
361.01892	6.8
362.02917	1.4
363.08679	0.9
363.17368	1.0
374.99829	3.1
375.03946	0.9
376.04297	7.3
377.05472	12.4
379.03049	2.0
381.08804	8.6
381.13348	4.9
381.22516	100.0
382.13434	1.1
382.22784	5.7
394.05331	2.2
395.06525	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	382.1394
Annotation	Acutuminine
Peak:m/z	Relative Intensity
53.03960	0.9
55.01863	0.6
56.05026	0.6
58.42781	0.5
60.05649	3.2
62.11985	0.4
65.03935	0.6
65.96728	0.5
67.05507	1.3
68.05025	11.8
68.99783	21.0
69.00909	0.8
69.03426	1.2
69.05454	0.7
69.05809	8.7
69.73150	0.7
69.73505	1.7
70.06586	79.2
71.06909	0.6
72.05621	2.5
79.05489	1.6
80.05013	6.6
81.03400	1.4
81.59544	0.4
84.05631	0.5
86.03548	3.4
86.06062	0.6
91.05484	4.6
92.04964	0.6
94.02944	3.0
94.06533	1.1
95.02473	0.6
95.04973	2.9
95.06077	2.1
96.03863	1.1
96.04483	21.5
97.06513	1.0
98.03533	1.8
98.06042	1.8
98.07166	0.5
98.23403	1.0
103.05464	5.9
105.03392	1.6
105.04465	0.8
105.07016	8.7
106.06566	1.5
107.01337	0.5
107.04943	1.6
108.04465	5.9
110.07150	1.1
111.00856	0.5
111.05565	2.3
111.07927	2.3
112.04001	0.7
112.08718	45.2
113.09045	1.3
118.06512	1.1
119.04939	3.6
120.04445	2.9
121.02851	1.6
122.06003	3.3
123.00768	1.2
123.04419	3.8
124.05052	2.2
126.05495	1.4
129.06978	0.7
130.06512	0.8
131.04916	14.9
132.04457	0.6
134.02246	0.5
134.05988	2.8
135.04382	0.7
136.08705	0.9
137.05980	5.2
137.07030	0.7
138.05495	1.0
138.06548	1.1
139.00230	3.3
140.07027	0.6
140.08128	0.7
141.06964	1.0
143.44914	0.5
144.04451	0.6
146.05960	1.8
147.04395	6.6
148.03926	3.6
148.07512	0.7
149.02335	0.8
150.05490	4.8
151.03874	4.0
154.06111	1.4
162.05499	4.6
163.03889	3.2
164.06990	0.9
164.08205	1.6
165.01901	1.2
165.05453	11.8
165.06773	0.8
166.01297	0.6
166.04935	0.9
166.99721	8.2
168.00565	0.8
168.06522	2.4
169.01326	2.6
169.06468	0.5
169.10089	0.6
172.03941	1.3
173.05945	0.6
174.05478	4.9
175.03864	14.2
176.03407	12.5
176.04857	0.8
177.01843	1.6
177.03792	0.5
181.04869	0.5
181.06349	1.0
183.04414	1.0
185.00797	38.4
185.09610	0.8
186.01155	0.7
187.04950	0.6
189.01851	1.2
190.01334	0.9
190.04964	15.3
191.03387	6.5
191.05121	1.0
192.06473	1.6
193.04834	2.6
194.04446	4.4
195.02859	0.7
195.04446	1.9
200.03363	0.6
201.01784	0.7
204.07655	1.0
206.09360	0.8
207.02898	3.3
208.05821	2.3
209.04420	3.3
210.08725	8.4
213.05519	1.4
213.09151	0.8
214.06052	0.7
215.04530	0.5
215.06953	0.5
216.07648	1.1
217.06047	1.2
218.04459	100.0
219.02859	11.3
219.04785	4.3
227.06705	0.5
232.07156	3.2
233.05551	0.7
234.08783	1.8
236.05789	3.2
236.06590	4.2
237.03764	1.3
242.05670	0.6
243.03929	3.7
243.06480	1.4
250.08119	2.6
252.09976	1.0
255.06474	1.2
260.06625	9.7
261.04742	1.1
262.08728	0.6
271.05975	33.7
272.06412	1.1
273.07581	1.1
278.07690	74.8
279.07431	2.6
279.10663	3.5
280.09616	2.2
293.08035	7.9
294.08099	0.9
294.11166	0.7
295.09634	0.5
296.08801	8.1
297.09128	0.5
302.04227	0.8
305.08142	0.9
322.10706	52.6
323.09116	4.8
336.13022	0.6
340.11798	5.5
341.11676	0.5
347.10248	3.6
354.14603	0.7
358.98477	0.5
364.12878	14.3
365.13403	0.6
382.13922	95.7
383.14389	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	382.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05634	1.9
63.36718	0.9
67.05470	0.8
68.05024	17.1
68.99786	25.6
69.05807	5.4
70.06588	100.0
70.93321	1.4
71.06915	1.6
72.05638	1.3
75.88741	0.8
76.53084	0.8
80.05012	6.1
91.05428	1.4
94.02916	3.0
95.04982	1.6
95.06062	1.4
96.04488	15.1
98.23277	1.1
103.05466	3.7
105.07021	8.4
106.06560	1.1
108.04501	4.3
111.07941	1.1
112.08721	32.0
119.04948	1.1
120.04494	1.6
122.06039	3.0
123.04411	2.5
131.04921	9.6
134.06017	3.0
139.00264	4.2
147.04439	0.9
148.03903	2.7
150.05487	4.6
151.03912	2.0
162.05504	3.2
163.03859	1.4
165.01926	1.2
165.05495	1.2
166.99744	13.0
168.06534	1.2
169.01244	1.4
175.03859	1.6
176.03430	9.5
185.00812	40.7
189.01836	2.1
190.04980	11.9
191.03433	3.5
194.04474	3.4
195.04526	1.1
200.03491	1.5
207.02890	2.7
208.05992	1.8
209.04373	1.3
210.08748	3.4
218.04471	94.4
219.02875	6.3
219.04840	4.5
233.05647	1.1
234.08698	1.4
236.05589	3.4
243.03900	1.9
243.06416	1.6
260.06598	3.6
266.52115	1.0
271.05978	36.4
272.06354	2.0
273.07642	1.1
278.07706	29.7
279.07739	1.6
279.10529	1.1
280.09689	1.3
293.08063	6.7
294.11160	1.2
296.08810	4.4
322.10718	49.0
323.08777	2.5
323.11472	1.0
340.11777	11.9
347.10242	2.6
354.14301	1.5
364.12903	6.5
365.13135	1.0
382.13928	73.1
383.14313	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	382.1648
Annotation	Yuanamide
Peak:m/z	Relative Intensity
56.41212	0.6
67.98593	0.6
68.05019	0.7
68.99776	1.0
70.06585	9.5
71.33175	0.6
84.08144	4.8
93.38943	0.6
94.06555	2.1
96.04456	0.9
98.22723	2.0
102.74744	0.6
103.05470	0.9
108.08123	2.4
108.81989	0.6
112.07598	100.0
112.45298	0.7
113.07960	1.4
119.04844	0.7
120.08043	0.6
126.09140	6.6
127.09925	97.5
128.10260	2.6
131.04921	2.9
132.93333	0.6
136.07555	3.4
139.00272	1.2
147.04416	0.9
157.98776	0.7
162.05527	0.6
165.01868	1.9
172.03401	0.7
175.03879	0.7
176.07098	1.9
178.08607	1.8
185.00865	1.0
189.01805	10.6
203.03465	3.5
204.06516	3.2
207.02907	4.1
215.03452	1.5
217.04990	1.0
218.04456	6.0
218.07951	4.2
219.04840	2.1
228.06619	2.8
237.65019	0.6
246.07599	30.5
247.08110	1.6
264.08707	1.0
271.06131	0.8
278.07840	2.2
293.08069	26.2
294.08511	2.7
307.09634	4.5
321.11328	1.0
322.10812	3.5
322.14282	0.8
350.13834	63.5
351.14261	2.9
382.16562	30.8
383.16766	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	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
54.94098	1.5
55.01872	8.6
57.03423	6.5
61.02928	4.1
66.06657	1.6
68.99770	2.3
69.03427	24.1
70.06586	9.4
70.70648	3.0
71.04986	31.9
73.02907	6.7
81.03404	19.9
81.07051	2.2
85.02898	67.5
86.09685	3.3
87.00820	33.1
91.03916	2.1
93.07056	2.1
95.08630	1.7
97.02895	35.5
99.04449	10.6
99.08092	35.6
105.01168	2.0
105.01862	40.2
105.07037	2.3
109.02874	23.1
116.55679	1.8
117.01848	3.6
117.09122	100.0
121.02852	2.5
123.08112	2.8
127.03909	53.8
127.08673	7.1
134.60861	1.6
135.04398	2.0
136.06117	3.5
136.07555	2.1
137.05966	1.9
145.04950	25.7
147.02936	2.1
151.07339	1.8
155.08130	4.7
159.02895	11.5
189.03796	2.0
195.43076	1.7
213.04001	4.7
219.06575	2.8
220.11923	3.8
225.14946	2.0
231.05016	14.6
247.05988	8.1
249.06142	3.9
265.07077	6.1
268.16510	3.2
382.19281	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	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01860	9.0
57.03424	9.4
61.02917	8.2
67.28015	1.8
68.99781	4.2
69.03424	35.8
70.06583	27.5
70.43138	2.3
71.04985	42.0
73.02922	9.4
79.05489	6.2
81.03417	33.5
81.07054	3.9
85.02898	96.1
86.09686	11.8
87.00823	52.1
91.03930	4.7
93.07036	2.8
95.08604	3.6
97.02891	50.9
99.04440	13.5
99.08086	48.2
105.01861	59.4
105.07033	3.1
107.04971	2.3
108.04462	2.9
109.02876	33.5
109.06548	3.2
110.07163	7.2
116.07085	3.4
116.89954	1.7
117.01813	3.4
117.09120	100.0
120.08121	3.2
121.02879	2.9
123.08062	9.4
127.03903	86.3
127.08652	18.5
129.01862	3.5
133.06488	3.4
136.06140	4.6
138.57249	2.0
145.04942	38.0
147.02887	4.0
155.08168	15.9
156.71298	2.5
159.02884	17.3
163.03920	2.9
177.05397	3.2
185.11739	8.7
189.03941	2.0
213.03944	7.0
219.06551	3.5
223.06071	2.1
231.04974	19.7
237.07590	3.8
240.17166	3.5
245.22246	2.0
247.05962	16.8
249.06050	3.2
251.62784	2.4
265.07019	15.3
268.16580	7.7
312.95633	2.0
321.17480	2.1
344.43945	2.2
382.19089	3.3
383.11304	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	382.1719
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.35672	0.4
51.82054	0.4
56.96558	0.5
57.07046	0.4
61.02895	0.4
62.85528	0.4
65.03938	0.6
67.05494	0.9
69.03423	1.6
69.14864	1.6
69.15279	1.1
70.06582	1.0
81.03426	0.9
85.02911	2.5
87.00838	0.5
90.68365	0.3
91.05472	2.3
95.04952	0.8
97.02895	1.3
100.07584	0.6
106.02924	0.7
107.01263	0.5
109.02838	0.4
110.06051	0.9
111.44907	0.4
112.35597	0.4
119.03569	1.3
119.04945	4.0
121.06441	0.4
127.03912	0.6
134.02391	0.9
135.06726	0.4
136.06177	100.0
137.04529	1.1
137.06479	1.3
138.05519	2.1
140.31755	0.4
146.02370	0.8
147.04404	7.7
148.06163	1.3
159.06700	1.9
166.04999	3.9
173.08179	0.4
173.53371	0.4
174.01805	1.1
175.09729	0.9
179.06905	0.4
185.08194	5.7
188.02240	0.8
192.02936	1.2
193.01341	0.7
194.04445	2.1
202.01334	12.1
202.10864	8.3
218.04472	0.5
220.02400	3.4
220.11914	92.1
221.12257	2.5
223.07832	0.4
230.00906	1.7
231.04846	0.4
238.03224	0.4
248.01889	2.7
262.03262	0.6
276.53122	0.4
280.04520	3.2
292.74957	0.4
294.14886	1.0
298.11487	0.7
312.15817	0.7
322.07117	6.4
323.07391	0.5
365.07550	0.4
368.07599	1.4
382.17114	30.9
383.13055	1.0
383.17255	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1721
Annotation	Cis-Zeatin-o-glucoside
Peak:m/z	Relative Intensity
55.01876	0.5
57.03440	0.6
57.13879	0.3
57.57643	0.3
58.80771	0.4
59.56361	0.3
59.91648	0.3
61.02919	1.1
62.11943	0.3
67.05491	0.7
67.50976	0.3
69.03426	3.3
69.79465	0.9
70.06573	0.6
73.02928	0.4
81.03416	1.3
84.08139	0.6
85.02909	3.3
87.04490	0.6
97.02885	1.9
99.04457	0.4
100.07621	0.7
109.02882	0.6
119.03563	1.2
119.04935	0.7
127.03912	0.7
127.76091	0.4
133.57460	0.3
136.06181	100.0
137.04585	0.9
137.06560	1.3
138.05424	0.4
147.04417	0.9
148.06178	3.7
159.06674	0.5
166.05011	0.4
176.69353	0.4
178.07253	0.6
185.04198	1.2
185.08260	2.1
201.90350	0.3
202.01353	1.0
202.10855	6.3
220.11923	84.4
221.04314	0.4
221.12279	2.8
322.07220	0.8
365.07516	0.4
382.17188	53.9
383.09308	1.3
383.13171	0.7
383.14490	0.5
383.17770	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.3
55.05508	10.7
57.03430	6.7
58.13599	4.0
65.40686	3.5
67.05505	20.6
68.99786	8.6
69.03426	26.5
69.07066	13.9
69.58639	3.5
70.06598	15.4
71.05000	28.0
71.43004	4.9
79.05502	29.8
81.03412	10.8
81.07048	23.3
83.04993	4.9
84.08125	5.1
85.02895	45.8
86.09728	9.0
87.00819	9.9
87.04471	26.4
91.05475	9.8
93.07048	49.6
95.05000	12.9
95.08601	43.4
97.02899	14.3
97.06537	15.2
99.04427	4.5
99.08107	5.5
101.06017	8.3
103.05450	4.4
105.01876	14.1
105.07026	9.8
107.04945	13.1
107.08591	9.3
107.10990	4.3
109.02888	6.5
109.06539	13.2
110.07171	7.8
115.03922	32.7
119.04979	5.9
120.08074	5.3
120.88715	4.7
121.02870	38.5
121.06499	4.2
121.10135	66.3
123.04417	4.5
123.08067	44.8
127.03922	22.3
129.10249	4.6
133.06494	13.0
133.10106	6.2
135.04379	19.3
135.08073	5.1
136.06197	12.3
139.11188	61.7
145.04982	13.8
147.04428	12.0
149.05975	7.4
149.09601	11.3
151.07544	13.7
157.12244	100.0
159.02873	4.7
161.05931	7.2
163.03870	22.2
167.10693	11.6
177.05519	7.2
179.07036	11.3
185.11749	54.9
187.03928	9.3
191.07048	7.7
197.08078	8.7
203.12793	55.0
205.04996	18.8
207.06183	5.1
218.05785	8.9
219.04738	4.6
219.06587	18.8
221.08130	15.3
223.05898	9.4
237.07605	18.8
240.93507	4.6
247.05983	73.0
249.15773	6.7
263.05582	5.6
265.07077	88.9
295.16083	5.5
302.17737	4.9
341.10071	4.6
365.10098	5.2
382.19391	40.5
383.11090	33.3
383.15604	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78584	0.3
56.96283	0.5
56.96561	8.9
60.76974	0.3
63.30325	0.3
69.94775	0.9
71.95219	0.4
73.01674	0.3
88.77946	0.3
98.97575	100.0
99.97894	0.8
116.98612	52.8
117.98968	0.4
120.66580	0.4
134.99643	17.0
153.00708	1.3
158.01195	0.4
181.97360	0.4
184.98125	0.3
203.10260	0.3
214.95561	0.3
216.98763	1.0
234.99910	1.7
235.99947	0.6
236.99796	0.4
240.98640	5.0
241.98830	0.4
258.99744	67.8
259.99902	4.3
261.00162	0.6
261.02985	0.8
277.00790	85.5
278.01007	6.2
282.01251	0.7
282.99921	2.3
284.00049	0.9
284.99591	0.4
295.01819	1.1
300.02338	1.2
301.00995	3.1
302.01190	1.1
303.00992	0.6
316.98901	0.5
317.98874	0.5
318.98602	0.4
319.01862	0.4
349.83707	0.3
358.99963	0.5
360.00061	0.8
382.99796	1.3
401.01093	6.2
402.01151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0067
Annotation	Quercetin 3-sulfate
Peak:m/z	Relative Intensity
55.01849	0.6
62.42742	0.2
68.99786	2.0
69.05547	2.0
70.00562	0.3
70.06565	0.9
71.01331	0.7
79.05475	0.6
81.16528	0.3
84.02119	1.6
91.05466	0.3
95.01321	0.6
95.04961	0.4
98.23474	0.5
99.00783	1.2
100.07565	0.7
107.04278	0.4
107.04947	6.6
112.00910	0.4
112.01578	4.0
113.02332	0.3
118.84479	0.3
123.00764	1.8
124.20417	0.3
127.00249	1.4
131.04926	0.3
133.12120	0.4
134.03629	2.0
135.00720	0.4
135.04414	3.5
137.02333	2.5
139.00238	1.1
140.01042	5.2
151.00214	0.7
153.01787	0.5
161.02296	0.6
168.00540	17.5
169.01312	26.6
170.01656	0.6
186.01599	8.2
187.00255	0.5
187.03838	0.4
205.01274	0.9
221.00810	0.4
228.04114	0.4
232.02432	0.4
248.56610	0.3
257.04385	0.7
261.03912	0.4
266.21121	0.6
273.03906	1.6
274.04605	1.8
284.03143	0.8
285.03909	1.8
301.03470	2.2
301.06635	0.5
302.04187	100.0
303.04935	89.9
304.05258	4.9
324.08878	0.5
382.30856	0.5
383.00650	35.4
384.01035	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	383.0065
Annotation	Quercetin 3-sulfate
Peak:m/z	Relative Intensity
55.01834	0.7
56.02630	0.7
58.55952	0.5
62.44513	0.4
68.04987	0.6
68.99789	3.4
69.65456	1.1
70.00552	0.5
70.06596	3.1
71.01324	0.6
84.02082	1.1
84.08084	0.5
90.61005	0.4
98.23480	0.7
99.00764	1.1
100.07557	0.8
107.04942	6.9
112.01602	2.6
112.08706	1.3
123.00739	1.9
127.00222	1.3
131.04761	0.5
134.03587	1.8
135.04399	4.0
137.02345	2.0
139.00212	0.5
140.01030	5.2
151.00240	1.0
168.00539	15.8
169.01305	27.4
185.00813	1.1
186.01572	8.1
200.04562	0.6
218.04494	2.1
219.04695	0.8
229.04831	0.6
271.05829	0.6
273.03894	0.5
274.04663	1.9
278.07666	1.1
284.03116	0.5
285.03867	1.8
297.99197	0.4
301.03592	2.0
302.04166	100.0
303.04926	84.8
304.05316	4.6
322.10770	1.0
382.26788	0.6
383.00626	30.6
383.14172	2.4
384.00974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	21.8
72.08163	5.7
76.49214	2.2
84.08122	2.9
85.02901	4.3
86.09714	3.8
97.02866	3.6
99.06693	1.7
103.08898	2.1
106.02926	4.3
109.02843	2.5
110.07160	7.6
119.04914	2.9
120.08089	2.5
124.03933	5.7
127.03934	3.3
134.96631	2.1
136.06148	3.1
141.10159	2.1
156.07768	2.7
163.97292	1.9
185.04202	63.7
185.05884	3.1
185.11739	2.9
213.12379	2.7
221.04210	28.9
245.83203	2.2
337.08255	3.8
365.07837	2.9
383.09305	51.1
383.13132	100.0
384.09509	3.2
384.13837	4.3
384.18533	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	383.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
61.02919	0.7
65.04338	0.3
67.58366	0.3
69.03429	2.0
69.50494	1.4
70.06583	0.6
71.04973	0.4
73.06557	0.7
81.03421	1.0
83.06080	0.5
84.08156	0.3
85.02895	2.9
86.09688	0.4
91.03941	0.3
95.34262	0.3
97.02876	1.4
98.22680	0.6
110.07149	2.6
127.03899	0.8
148.99744	25.7
178.13431	0.5
221.05481	0.7
222.33226	0.4
223.15575	0.4
251.15149	0.5
257.09949	7.2
383.10748	100.0
384.11084	3.8
399.63464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1124
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
67.05493	0.9
68.99782	5.5
69.00157	0.4
79.05505	0.3
91.05468	0.8
97.06514	1.0
107.80644	0.3
109.10184	0.3
119.04937	8.8
121.02865	5.3
123.00791	0.6
131.04825	0.4
139.00258	13.2
147.04402	1.3
147.08127	0.3
157.01337	0.5
161.05989	0.5
168.00525	0.6
169.01393	1.5
184.05186	0.4
186.01590	0.3
195.04437	0.8
207.18153	0.3
211.03905	1.0
241.04964	0.4
257.04434	36.0
258.04837	1.8
269.04434	0.4
285.03918	20.5
286.04678	13.0
287.05466	23.6
288.05692	1.5
310.81787	0.4
383.11218	100.0
384.11539	9.3
384.30804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1124
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
51.39803	0.4
51.92806	0.4
52.46791	0.4
53.58165	0.4
55.01870	1.0
60.11271	0.4
67.05486	0.4
68.99779	6.0
69.03365	0.6
69.07060	1.7
69.82256	1.5
79.05467	1.5
85.81916	0.3
91.05477	0.9
95.09489	0.4
97.06518	3.7
119.04934	10.5
121.02866	5.8
123.00784	1.7
137.12846	0.4
139.00259	13.3
147.04480	0.6
157.06502	0.6
159.04395	0.5
166.99828	0.5
168.00520	2.2
169.01337	1.0
185.00792	0.9
186.01546	1.2
187.03836	0.5
211.03897	0.5
211.38669	0.5
241.04926	0.5
255.06465	0.4
257.04434	57.5
258.04834	3.8
269.04343	0.8
285.03912	35.7
286.04648	10.7
287.05493	22.4
288.05814	1.5
339.08597	1.0
359.98853	0.9
378.99744	0.5
383.11194	100.0
384.11542	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	383.1125
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
54.03309	0.3
62.36185	0.4
67.05492	0.7
68.99782	3.4
69.07050	1.4
73.73943	0.4
79.05476	1.5
91.05473	0.6
95.01343	0.6
97.06525	5.6
107.01278	0.3
119.04934	7.8
121.02858	4.5
123.00777	3.7
124.01128	0.4
131.04893	0.4
139.00247	6.1
140.01028	0.6
141.01808	0.4
147.04404	0.8
157.06451	0.5
168.00542	3.2
169.01320	2.5
184.05142	0.6
186.01620	1.4
187.03905	0.5
195.04419	1.4
214.89474	0.4
229.04912	0.6
241.04893	2.3
241.32954	0.4
242.05592	0.5
245.04588	0.5
253.05011	0.5
257.04425	17.4
258.04868	1.7
259.05939	0.5
260.66415	0.3
269.04416	3.6
270.05048	0.8
283.05966	1.1
285.03906	12.8
286.04672	37.3
287.05450	47.9
288.05817	3.1
297.03897	1.1
311.09058	1.2
313.06989	0.8
339.08627	1.1
383.11209	100.0
384.11511	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.7
56.80061	0.3
66.06175	0.3
67.05482	0.3
68.05031	1.6
68.99772	0.5
69.03415	0.4
70.02935	0.5
70.06586	10.6
79.01851	0.3
81.04524	0.5
81.07043	0.3
82.05301	0.4
83.03710	0.6
83.06095	1.7
84.04490	3.5
90.07918	0.3
91.05502	0.5
95.06079	5.6
96.04485	0.4
98.02415	0.2
103.05474	1.8
105.07008	0.3
107.01316	3.0
107.04890	0.4
110.05992	0.4
111.03179	1.7
112.08726	2.3
113.07105	0.6
123.05537	0.6
126.01836	0.6
131.04910	4.4
132.05255	0.3
135.00763	0.9
137.07071	0.6
138.01852	2.4
138.05489	0.9
139.02626	0.9
140.03378	0.3
140.98070	0.2
141.06573	10.1
147.04411	0.4
153.01816	1.2
156.02878	0.3
159.07666	1.0
164.03310	1.3
165.06577	2.6
166.01344	3.0
166.05038	0.4
167.02126	25.8
168.02895	4.2
169.01289	0.6
169.06070	10.5
170.06435	0.3
177.06596	1.0
182.04486	1.1
184.02437	0.5
185.03175	10.1
186.03622	0.3
188.03508	0.4
191.04489	3.1
192.04477	0.3
193.01393	0.5
193.06094	1.7
202.99724	0.6
206.04485	1.5
208.02443	0.4
209.05569	2.8
211.07123	1.5
213.04997	2.4
215.04529	0.8
216.02925	1.1
218.04471	0.7
220.06020	1.4
221.00797	2.8
221.04320	0.5
225.05440	0.4
228.06544	0.4
233.05557	8.4
234.03969	1.0
234.06140	0.4
235.02281	0.4
235.07169	2.5
237.05032	8.4
242.07906	0.3
249.00221	0.9
253.07956	0.4
255.06059	0.3
261.05051	2.0
262.03418	2.0
263.01785	1.5
270.07355	0.3
271.08368	8.8
272.08786	0.9
279.06085	33.6
280.06665	1.5
291.10114	0.4
293.08002	0.3
297.07199	0.6
302.04199	1.0
303.04846	0.5
307.05954	1.2
310.11035	0.3
323.10355	0.6
335.05536	0.4
337.11740	1.3
338.55804	0.3
351.12579	0.3
357.53003	0.3
365.11285	0.5
366.09738	1.2
367.08109	0.3
369.21005	0.3
383.12308	100.0
384.12546	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63226	0.5
57.03439	1.1
66.92165	0.6
69.03422	7.4
70.03761	1.9
70.06589	6.2
70.40828	0.7
71.04993	0.8
71.39697	0.8
72.08148	1.7
81.03422	2.6
81.12688	0.6
82.03764	0.8
84.42376	0.7
85.02901	7.8
86.03250	1.9
86.09720	0.7
86.76202	0.6
87.00822	3.8
87.04482	0.6
89.24886	0.6
91.08212	0.6
97.02882	9.2
98.03257	2.2
98.90022	0.7
99.04457	3.3
100.04855	0.7
101.13436	0.6
105.01859	3.0
106.02196	0.8
110.03217	1.0
110.07198	1.4
116.07135	1.3
127.03899	11.1
127.04750	1.0
128.04245	6.2
136.06219	2.2
141.10262	1.9
142.37340	0.7
145.04924	6.4
146.05324	2.7
148.99773	1.4
169.09773	1.5
185.04370	0.8
194.35007	0.6
221.07936	1.0
221.12392	1.1
231.04968	3.9
232.05405	2.7
233.05559	0.9
249.06120	1.2
250.06494	0.9
383.13217	100.0
384.13644	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	383.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47527	0.5
59.21801	0.5
62.18036	0.5
69.82256	0.6
69.82591	1.2
70.06600	1.7
84.04491	0.7
85.02925	0.8
86.09748	0.6
87.03754	0.6
110.07145	0.9
132.40213	0.5
136.06218	1.1
154.58809	0.5
185.04216	10.2
221.04190	5.2
221.07962	1.2
221.12289	0.5
294.01874	0.5
383.13217	100.0
384.13501	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	383.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52069	0.2
56.44374	0.2
59.04863	0.2
68.05018	0.8
70.06585	100.0
71.06912	1.4
73.06389	0.4
88.48420	0.2
95.06100	0.4
97.07661	0.9
98.08421	1.6
103.05466	0.4
105.78063	0.3
107.01299	0.3
111.12389	0.3
112.08717	18.5
131.04900	0.3
138.01866	0.3
138.05560	0.3
141.06580	0.4
167.02145	1.5
168.02979	0.3
169.06093	0.6
172.68704	0.2
185.03168	0.8
221.00870	0.4
221.04510	0.4
233.05518	0.5
237.05162	0.3
262.03424	0.4
271.08408	0.8
279.06091	2.2
291.10141	0.4
323.12894	0.3
367.15250	1.2
383.12241	6.8
384.17978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.3
55.43873	3.1
58.86111	3.0
67.05508	24.8
69.03410	4.2
69.07062	8.5
79.05502	15.1
81.07063	16.8
83.04944	5.2
83.08605	5.3
85.06533	4.1
89.02397	14.1
91.05476	20.7
93.07034	26.6
95.04961	23.0
95.08611	19.9
96.31953	3.3
97.06528	8.8
98.98461	83.2
105.07018	25.5
107.08601	14.5
109.06512	6.2
109.10137	16.2
110.98447	23.8
111.08052	3.8
113.00006	7.2
117.07027	4.7
119.04977	3.6
119.08582	18.7
120.05317	3.0
121.02826	3.6
121.06519	4.0
121.10147	13.7
123.08104	6.4
124.08710	11.6
125.09061	3.9
128.06276	3.1
129.06956	5.5
131.08566	9.0
132.68936	3.2
133.10136	12.6
135.08104	3.8
137.09563	4.3
138.97926	32.0
139.00250	4.5
142.07780	7.7
142.09766	4.4
143.08542	7.5
145.10124	13.6
147.08075	5.2
147.11670	6.6
149.09651	4.6
151.07521	9.6
151.11162	3.9
155.08548	3.9
156.09293	3.4
156.98981	6.4
157.10121	12.2
159.11705	6.3
161.09589	8.3
161.13255	5.4
165.09091	6.9
171.11711	4.7
173.09616	12.6
173.11819	4.5
175.11189	5.4
175.14780	4.9
185.13281	4.7
189.12715	3.9
196.98441	3.9
203.14343	7.6
205.48132	3.0
207.14012	2.9
213.16473	3.6
214.99507	100.0
215.01492	6.5
221.15326	16.1
257.04413	12.0
271.05865	5.0
285.03897	7.9
286.04620	7.0
287.05453	32.5
383.11252	55.6
383.21100	7.0
383.25497	14.8
384.11313	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.7
55.01865	7.4
55.05507	5.3
56.65628	0.6
57.03439	3.2
57.07060	1.0
67.05505	10.7
69.03411	0.8
69.07068	4.7
71.04971	0.7
71.62285	0.6
79.05488	6.3
81.07052	29.3
82.07413	1.1
83.04975	2.3
83.08598	2.4
85.06532	1.0
91.05487	4.3
93.07032	6.0
95.04942	1.1
95.08605	7.5
97.06522	2.5
98.22623	1.3
105.07029	5.2
107.08586	5.0
109.06511	11.2
109.10170	5.3
111.04434	18.5
111.08045	1.2
113.06013	0.8
119.08547	4.5
121.10161	4.5
123.08069	1.8
123.11684	2.6
125.05988	8.3
129.07045	1.2
131.08569	2.8
133.10139	5.4
135.08043	3.1
135.11690	5.4
137.05966	100.0
137.09547	1.6
137.13235	1.8
138.06322	2.7
139.00217	0.9
139.07513	0.8
142.07825	0.8
143.08560	1.4
145.10123	1.7
147.08032	1.1
147.11676	5.3
149.09596	4.0
149.13185	0.9
151.07527	2.3
151.11253	0.9
157.10100	2.5
159.11732	1.3
161.09613	6.2
161.13295	2.3
163.11142	3.6
163.14781	1.0
165.09109	2.3
171.11629	0.8
173.11787	0.8
175.11183	5.0
175.14731	1.3
179.10651	2.5
185.13171	0.8
189.12712	1.7
193.12259	1.5
203.14433	0.9
203.17921	5.5
213.16344	3.2
216.74579	0.7
221.19008	2.9
223.14815	1.3
231.17418	10.7
241.15912	1.6
249.18492	14.1
250.19002	0.7
257.04443	2.4
258.43170	0.7
277.17960	72.7
278.18378	4.2
286.04642	1.6
287.05511	6.8
295.19052	10.2
351.21716	4.0
383.11182	10.7
383.24249	9.4
384.11597	0.8
384.30832	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27267	4.2
55.01868	6.1
55.05507	14.2
56.35337	3.8
57.07057	7.7
65.03938	7.5
67.05497	36.6
67.66597	3.8
69.03423	4.3
69.07086	20.2
71.04978	5.0
71.08641	4.6
72.60775	4.3
79.05483	29.2
81.07054	58.7
83.04971	5.1
83.08613	11.0
85.02883	11.6
91.05469	47.7
93.06523	5.5
93.07046	48.6
95.04958	19.0
95.08614	55.9
95.69157	4.8
97.02876	6.5
97.06504	6.8
105.07022	82.7
107.04998	4.8
107.08597	73.9
109.06521	10.7
109.10149	45.9
111.04436	22.6
111.08007	4.3
113.02358	27.4
114.48524	4.3
115.05421	7.2
117.07016	26.9
119.08576	61.0
121.06535	6.1
121.10138	34.0
123.04439	34.9
123.08063	9.0
123.11723	7.8
128.06183	5.0
129.06956	7.7
131.08562	62.6
133.10118	54.0
135.08054	19.2
135.11682	18.1
137.05913	8.0
137.09674	5.0
137.13248	4.6
141.05443	7.7
142.07739	8.3
143.08572	26.0
144.09326	7.4
145.10127	77.8
146.10455	5.1
147.11696	32.4
149.09619	9.8
149.13245	17.0
151.07524	11.8
155.08572	8.4
157.10133	30.1
158.10869	4.9
159.08078	10.1
159.11671	66.4
160.12149	6.5
161.09644	6.4
161.13251	12.8
163.07570	11.3
167.07037	6.3
169.10188	4.6
169.59787	4.1
171.11684	20.6
171.80777	5.2
173.09706	4.8
173.13251	49.4
174.13603	4.4
175.11279	5.5
175.14851	17.2
177.09143	8.4
183.11777	8.1
185.13228	21.9
187.14856	33.6
189.09114	13.3
189.12823	7.0
189.16389	13.4
195.11728	4.7
197.13277	10.0
199.11150	4.3
199.14853	16.8
201.16377	100.0
202.16743	9.1
209.13359	5.0
213.16335	13.8
217.89961	4.6
227.17915	8.5
241.19417	10.6
253.19444	7.5
255.21054	61.2
256.21179	5.8
257.04526	9.1
286.04639	7.1
287.05536	18.7
319.67001	4.3
365.24765	27.9
383.11136	41.6
383.25705	73.3
384.11740	6.6
384.26108	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	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.4
55.05498	13.1
61.78122	3.2
65.03922	4.3
67.05222	3.3
67.05507	40.7
69.03421	13.3
69.07053	15.8
69.51046	12.5
70.82865	3.0
71.04974	8.1
78.62551	3.3
79.05477	41.7
81.07049	66.0
81.75684	3.9
83.08613	4.0
91.05469	46.7
93.07036	77.5
95.04979	20.0
95.08600	60.4
97.02879	7.2
97.06509	6.4
103.05491	4.0
105.07021	81.4
107.04949	3.9
107.08584	100.0
108.08929	4.6
109.06502	15.1
109.10146	47.4
111.04443	38.9
115.05336	4.6
116.06231	4.3
117.07018	16.9
119.08574	54.5
121.06480	13.5
121.10136	46.3
123.04398	30.6
123.08041	10.0
123.11671	11.7
128.06218	5.1
129.06984	8.4
130.07784	4.4
131.08562	52.1
133.06442	4.6
133.10120	54.5
135.08044	46.2
135.11653	15.9
137.05974	30.0
137.09586	7.5
139.07611	3.5
141.06981	3.7
142.07758	6.9
143.08562	23.7
144.09201	3.2
145.10103	54.6
146.07257	3.9
147.08029	5.4
147.11668	33.5
149.05956	4.2
149.09593	21.0
149.13213	18.7
151.07518	10.6
155.08537	9.2
156.09294	4.1
157.10114	23.0
158.10802	3.7
159.08029	10.5
159.11688	46.4
161.09619	17.8
161.13220	19.4
163.07558	24.7
163.11140	4.7
163.14847	4.9
165.06998	4.3
165.09100	5.8
167.08536	3.7
168.09297	3.9
169.10077	11.6
171.11685	19.4
173.09528	6.5
173.13261	30.5
174.06697	5.3
174.13634	3.6
175.11104	5.0
175.14821	15.8
177.09085	11.5
177.12778	5.2
179.10507	3.3
179.14311	5.1
181.10077	4.8
183.11667	13.6
184.87308	3.3
185.13242	15.2
187.14738	20.2
189.09119	21.3
189.16382	15.5
191.10670	5.3
195.11694	4.8
197.13193	10.4
199.11177	6.1
199.14809	31.5
201.12694	4.3
201.16379	21.8
203.10666	9.3
205.12219	5.1
207.11696	4.6
209.13185	7.3
211.14818	7.5
213.16388	7.6
217.12218	5.7
217.15843	10.0
219.17433	5.3
225.12782	5.7
227.17862	5.6
237.16492	5.4
239.17888	3.7
241.19473	5.0
243.49084	3.8
251.17828	8.4
253.19429	6.1
255.21112	13.7
257.04431	6.3
283.16867	5.3
287.05420	10.7
297.18381	11.7
323.27094	4.2
325.21448	6.7
347.23889	5.2
355.26093	5.3
365.24716	42.5
383.11209	30.7
383.21255	4.9
383.25732	70.8
384.26077	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	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01858	3.8
55.05519	16.0
55.05738	2.7
57.07074	15.6
59.04995	7.4
64.03557	2.5
65.03902	2.7
67.05503	39.2
69.03418	14.1
69.07050	6.8
71.04978	4.4
76.00910	2.6
77.03910	3.2
79.05479	27.9
81.07050	41.0
83.04974	5.4
85.06546	6.7
88.46977	3.0
91.05475	44.4
93.07039	100.0
95.04972	36.0
95.08595	42.4
97.06528	9.6
100.95132	3.0
102.97395	2.6
105.04518	4.7
105.07020	84.1
107.04904	3.7
107.08591	39.6
109.06504	27.5
109.10147	29.6
111.08065	10.1
117.06994	14.0
119.08575	58.7
121.06495	19.2
121.10132	47.8
123.08062	37.6
123.11753	2.9
128.06224	8.7
129.07021	12.1
129.51210	2.6
130.07761	5.5
131.08562	27.3
133.06487	7.2
133.10127	37.8
135.08040	22.0
135.11665	6.5
137.09596	12.4
142.07791	18.7
143.08539	25.2
144.09332	5.1
145.10098	35.0
147.08049	36.7
147.11722	15.8
148.08791	3.3
149.09633	19.5
151.07529	43.9
151.21475	2.4
155.08502	4.5
156.09348	9.3
157.10109	43.8
159.08044	9.3
159.11688	20.2
160.08817	3.6
161.09619	26.0
161.13272	9.3
163.11131	7.7
165.09111	52.2
167.08511	3.1
169.10097	8.3
170.10852	6.1
171.11676	6.4
173.09590	9.6
173.13232	8.3
175.11147	15.5
175.14824	9.4
177.09071	10.1
181.10092	3.8
183.11690	4.6
185.13243	18.1
187.11185	6.4
189.12740	12.4
191.14243	3.6
197.09590	3.9
197.13249	5.6
199.11192	4.4
199.14731	3.1
201.12709	7.4
203.14297	29.4
207.11896	2.7
207.13786	12.5
209.13185	5.3
209.15215	2.7
211.11162	3.4
213.12717	4.5
215.14281	4.5
219.13846	5.8
221.13206	5.7
221.15343	65.5
222.15692	4.2
225.16487	3.0
227.14322	5.3
233.15289	4.8
234.16150	7.5
243.13797	3.5
271.17014	3.4
286.19165	5.4
287.05432	3.2
287.19971	5.1
299.20062	4.3
303.19516	5.9
365.24707	9.8
383.11295	7.2
383.25629	52.6
383.30151	4.4
384.25955	6.6
390.24078	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39437	3.2
53.03955	3.0
55.05514	15.8
57.03432	4.2
57.07074	9.2
59.04990	10.6
65.03936	3.8
67.05505	30.7
69.03429	15.5
69.07062	13.7
71.04984	8.6
79.05476	27.8
81.07050	29.3
83.04974	9.4
85.06534	6.5
91.05470	37.9
93.07040	100.0
95.04972	40.0
95.08597	45.2
97.06551	16.2
98.22665	9.3
105.07024	81.1
107.08582	41.5
109.06522	26.5
109.10149	37.7
110.61475	2.9
111.08088	11.9
117.07030	8.4
119.04866	2.9
119.08574	56.6
121.06526	13.4
121.10123	44.6
123.08064	30.2
125.98146	2.9
128.06189	6.5
129.07031	13.6
130.07788	4.6
131.08553	27.8
133.06499	5.9
133.07533	3.3
133.10118	33.4
135.07077	2.5
135.08009	19.3
137.09659	13.9
141.06999	3.7
142.07768	21.5
143.08559	29.1
145.06441	6.3
145.10107	40.3
146.07324	3.3
147.08040	27.8
147.11676	19.2
148.08745	3.4
149.09622	28.0
151.07521	50.3
153.09015	3.0
155.08569	3.1
156.09308	7.9
157.10104	41.3
159.08035	8.2
159.11740	14.4
161.09608	23.9
161.13245	10.2
163.11159	7.5
165.09097	45.6
167.08543	3.8
169.10129	6.2
170.10880	5.0
171.07980	3.4
171.11690	6.6
172.08891	4.6
173.09605	8.9
173.13248	9.9
175.11166	27.3
175.14836	9.6
177.09128	13.8
178.09853	5.1
181.10101	5.4
181.12242	5.5
183.11658	4.5
185.13281	18.2
187.11131	7.5
187.14795	5.1
189.12709	10.9
191.14314	6.0
197.13245	6.5
199.11226	4.3
199.14758	5.2
201.12819	7.2
203.14304	35.4
207.11818	6.0
207.13803	12.5
209.13345	5.1
209.15334	6.1
213.12657	4.5
215.14258	5.2
219.13861	5.0
221.13229	6.4
221.15346	80.9
223.14731	3.1
227.14290	4.0
233.15431	6.1
234.16135	10.2
243.13736	4.0
257.04514	4.0
281.18961	5.0
285.03952	4.0
286.04605	4.5
286.19199	8.2
287.05478	10.7
287.20078	10.7
299.20016	4.8
303.19489	13.0
309.18408	6.3
325.05338	3.2
365.24774	10.9
372.26822	3.1
383.11276	32.5
383.21478	3.1
383.25729	80.5
383.29965	3.4
384.11282	3.4
384.26172	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.0
55.01875	2.8
55.05506	13.7
56.28911	2.3
57.03459	2.6
57.07070	11.2
59.04997	3.7
65.03911	3.0
67.05503	34.0
69.03432	13.9
69.07066	12.8
69.99861	6.9
70.00203	2.6
71.04974	5.5
75.12276	2.3
79.05495	25.8
81.07050	32.9
83.04968	4.7
83.08607	5.7
85.06552	6.4
91.05473	43.2
93.07046	100.0
94.07412	2.6
95.04969	32.9
95.08600	34.8
97.06551	17.2
103.05482	3.6
105.04504	4.7
105.07026	81.4
106.07364	4.2
107.08594	49.2
107.66963	2.2
109.06516	28.0
109.10157	20.9
111.08076	13.1
113.79282	2.5
115.05463	3.3
117.07018	10.5
119.04929	3.4
119.08572	56.7
120.09382	2.9
121.06526	14.6
121.10136	45.3
123.08070	33.3
128.06241	7.0
129.07002	13.1
130.07799	6.6
130.38565	2.8
131.08572	24.4
133.06505	8.2
133.10118	35.1
135.08066	26.0
135.11664	6.8
137.05946	4.7
137.09669	12.0
141.06975	3.0
142.07768	23.1
143.08571	24.5
144.09299	5.1
145.06473	3.4
145.10121	42.2
147.08034	24.8
147.11671	17.1
148.08865	4.8
149.09615	24.7
149.13423	2.9
150.78653	2.4
151.07539	38.5
151.11227	2.2
153.09126	5.0
155.08549	6.7
156.09349	10.2
157.10120	39.4
158.10928	4.1
159.08083	8.7
159.11690	18.4
160.08775	2.3
160.12439	2.5
161.09650	21.9
161.13289	8.6
163.11200	10.4
165.09106	44.1
168.09340	2.6
169.10078	8.4
170.10925	4.5
171.11716	10.8
173.09622	13.5
173.13312	8.1
175.11188	23.2
175.14857	10.1
177.09134	10.3
179.08566	3.9
179.10609	3.1
181.10158	3.5
183.11693	7.0
185.09677	5.4
185.13240	17.8
187.11133	4.1
187.14752	4.3
189.12637	12.8
191.14189	2.7
193.10304	3.2
194.10892	3.0
197.13280	4.8
199.11205	3.8
201.12703	6.9
203.14320	29.7
207.12009	3.1
207.13785	15.8
209.13245	5.4
209.15331	4.7
211.11229	2.8
211.14827	4.5
213.12686	5.3
215.14282	5.7
221.15381	67.2
223.14803	2.8
225.12984	2.7
225.16327	3.8
227.14342	3.6
231.13792	4.5
233.15378	6.6
234.16153	9.6
243.13879	2.4
263.18051	2.9
271.17053	3.5
274.19272	2.8
281.18848	6.8
286.19275	7.7
287.05490	4.2
287.20078	11.3
299.20001	5.0
303.19476	6.4
309.18454	4.4
347.23810	3.7
365.24573	14.0
383.11249	10.4
383.18567	16.0
383.25751	75.3
384.11502	2.6
384.19360	2.6
384.25952	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.9
56.50099	4.1
57.07064	15.1
59.04989	8.8
59.81791	4.2
67.05499	35.2
69.03422	17.5
69.07058	15.6
71.43459	4.6
79.05115	3.7
79.05497	30.0
81.07050	45.2
83.04962	7.4
83.08592	4.2
85.06516	5.3
91.05471	59.5
93.07041	100.0
95.04952	26.7
95.08611	41.9
97.06519	12.3
105.07020	84.2
107.04969	4.8
107.08585	48.4
109.06541	29.1
109.10152	31.2
111.08083	7.5
114.82424	4.8
115.05457	5.0
117.07012	12.4
119.04865	5.7
119.08581	54.7
121.06513	21.2
121.10141	51.0
123.08070	41.8
123.11660	5.7
128.06181	4.8
129.06990	14.7
131.08543	27.9
133.06447	10.7
133.10100	36.8
135.08038	19.6
135.11649	12.6
137.05945	7.8
137.09595	17.2
141.06975	5.8
142.07787	21.8
143.08557	22.4
145.10136	38.1
147.08012	23.7
147.11703	20.3
149.09610	27.6
149.13162	4.8
151.07538	32.8
155.08597	8.8
156.09363	6.4
157.10094	34.0
159.08070	9.7
159.11665	18.3
161.09592	26.0
161.13272	8.9
163.11121	5.8
165.09102	43.0
169.10135	6.0
171.11655	11.3
173.09581	11.1
173.13318	9.6
175.11165	18.7
175.14784	8.8
177.09143	9.4
178.09633	4.4
183.11736	4.1
185.09503	3.9
185.13176	19.1
187.11179	6.6
187.14796	6.4
189.12741	8.6
195.11609	4.7
197.13182	6.8
199.11211	4.8
201.12744	6.0
203.14253	27.5
203.18201	4.0
207.13741	10.7
213.16425	6.8
215.14301	8.5
221.13217	7.7
221.15326	96.4
225.12579	5.5
231.13788	4.3
233.15460	4.7
234.16138	5.8
239.17847	4.4
256.30576	4.0
286.19110	6.9
287.05545	7.5
299.19824	6.7
303.19519	7.8
322.61975	4.4
323.27347	12.4
365.24799	10.5
383.11194	23.4
383.25641	60.5
383.30054	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	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.31728	2.1
51.67130	2.1
53.03934	4.2
54.33219	1.6
55.01865	2.2
55.05502	14.5
57.07065	13.5
59.04985	8.0
65.03920	4.3
67.05499	31.9
69.03429	14.2
69.07057	8.7
70.00109	1.9
71.04985	7.5
77.03922	4.6
78.60565	1.8
79.05483	30.4
80.82594	2.0
81.07050	36.8
81.07515	3.8
83.04977	6.1
83.08611	2.7
85.06550	6.6
91.05033	1.2
91.05473	50.7
93.07037	100.0
94.07352	2.8
95.04964	31.1
95.08015	3.8
95.08601	42.0
97.06528	15.4
103.05479	6.4
105.04516	4.0
105.07021	91.4
105.07735	4.5
107.04929	4.1
107.08591	46.4
108.05747	2.8
109.06510	27.8
109.10143	19.9
111.04446	3.9
111.08057	11.1
115.05441	3.2
116.06235	2.6
117.07020	11.5
119.08579	62.8
120.09396	4.6
121.06508	15.2
121.10139	36.6
122.07301	2.8
123.04424	2.6
123.08058	28.7
123.11692	3.4
125.06001	2.2
128.06203	11.1
129.07001	10.2
130.07764	4.0
131.08556	34.9
133.06505	7.6
133.10110	34.8
135.08043	23.8
135.11664	6.9
137.05991	3.9
137.09624	9.8
141.06973	5.0
142.07793	22.1
143.08548	25.8
144.09291	3.8
145.06528	4.2
145.10109	38.5
146.07237	3.3
147.08041	22.5
147.11687	16.5
149.09607	21.5
151.07507	34.4
153.09096	2.8
155.08549	9.1
156.09335	10.1
157.10109	46.2
159.08051	9.0
159.11702	16.1
160.08751	3.2
161.09593	19.4
161.13222	7.1
163.07567	3.5
163.11176	7.9
165.07014	2.6
165.09102	34.6
168.09322	2.8
169.10110	8.1
170.10936	6.9
171.08061	2.4
171.11703	8.9
173.09644	8.5
173.13213	9.6
175.11162	16.4
175.14821	7.3
177.09070	11.3
178.09764	1.8
179.08627	2.0
181.10065	2.5
181.12294	2.1
182.10861	1.9
183.11736	6.6
185.09628	3.4
185.13254	19.8
187.11229	4.5
187.14857	3.7
189.12721	11.3
191.14288	3.8
195.11693	4.2
197.13300	6.8
199.11128	2.8
199.14786	4.8
201.12825	5.7
203.10616	2.1
203.14293	28.7
206.10806	2.6
207.12036	2.7
207.13724	13.0
209.13356	3.8
209.15346	5.4
211.14915	2.7
213.12750	5.5
215.10773	2.7
215.14294	7.9
217.12273	2.1
219.13852	4.1
221.15340	57.3
221.17456	3.7
222.15788	2.0
223.14761	2.0
225.12788	4.4
225.16371	3.1
227.14240	4.9
229.12317	3.5
233.15285	4.9
234.16129	11.6
237.14670	2.5
253.16019	2.2
271.17004	2.4
274.19272	2.6
281.19028	2.8
283.17130	1.9
286.19257	5.7
287.19974	8.5
299.20093	5.8
303.19553	8.6
309.18365	3.2
365.24658	13.7
383.11349	4.2
383.25781	76.7
383.30731	4.1
384.26224	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03946	4.4
54.02550	2.0
55.05516	14.1
57.07066	11.6
59.04993	4.9
67.05501	26.8
69.03425	13.0
69.07064	9.5
69.60455	9.7
71.05016	4.7
79.05490	28.7
81.07056	37.2
83.04984	6.7
83.08601	5.3
84.37431	2.1
85.06532	6.7
91.05476	40.8
93.07045	100.0
95.04966	28.1
95.08601	42.8
97.06538	12.2
98.22756	4.3
103.05502	4.2
105.04506	3.8
105.07027	75.0
106.07379	2.7
107.04925	2.4
107.08601	45.3
107.94295	2.0
109.06509	22.9
109.10152	18.0
111.08112	10.2
114.23466	2.0
115.05452	3.8
117.07015	14.7
117.09958	1.9
119.04868	2.1
119.08581	54.9
121.06506	14.4
121.10145	44.3
123.08067	32.4
123.11678	2.2
125.09660	2.2
128.06223	8.5
129.07004	11.7
130.07755	4.9
130.26271	2.6
131.08551	28.9
133.06488	7.9
133.10123	30.5
135.08049	24.7
135.11713	4.6
137.05997	2.3
137.09642	11.2
139.11067	2.2
141.07013	3.5
142.07773	19.5
143.08574	23.8
145.06526	2.5
145.10123	43.1
146.07300	2.8
147.08051	23.0
147.11671	19.2
148.08679	2.1
149.09604	23.2
151.07550	41.7
153.06985	2.6
153.09117	3.1
155.08549	6.7
156.09346	11.8
157.10139	42.9
159.08061	8.8
159.11694	19.5
160.08812	3.4
160.51318	2.0
161.09648	21.7
161.13231	6.3
163.11185	7.0
165.09109	45.1
168.09351	2.2
169.10168	4.4
170.10899	5.0
171.11694	6.9
173.09641	8.1
173.13264	8.1
174.10275	2.2
175.11171	27.3
175.14836	8.4
177.09120	11.4
177.12651	2.9
179.08577	3.2
181.10172	4.6
181.12306	2.6
182.10902	2.2
183.11688	8.0
185.09711	3.1
185.13228	21.3
187.11217	6.7
187.14838	3.7
189.12758	9.0
191.14348	5.8
195.11729	5.4
196.12463	2.6
197.09659	2.8
197.13255	6.3
199.11256	3.8
201.12773	6.8
203.14316	34.8
207.11850	4.3
207.13838	12.9
208.87743	2.0
209.13297	4.7
209.15347	4.4
211.11125	2.3
213.12773	5.3
215.14389	8.1
216.15173	2.6
219.13882	4.1
221.13258	4.8
221.15350	66.2
222.15714	4.3
223.11310	2.2
223.14876	3.1
225.12773	2.9
227.14319	3.5
231.13861	2.7
233.15402	6.1
234.16092	10.0
237.14763	4.8
241.15903	2.4
253.15894	2.5
257.15558	2.0
275.19870	2.3
286.19345	6.2
287.20197	11.0
299.20172	9.3
303.19675	7.0
309.18518	3.7
347.23639	2.8
365.24609	11.0
383.11169	7.6
383.25800	73.1
384.26190	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	384.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	3.5
55.60850	0.3
65.03916	1.2
67.05472	0.6
68.99786	0.4
69.03416	0.5
69.28535	1.9
74.32951	0.4
74.66013	0.3
77.00271	1.7
77.69682	0.3
79.05496	0.9
81.03398	0.5
81.07050	0.5
81.66554	0.4
85.02885	1.6
87.04424	0.3
91.05479	0.8
92.99730	0.9
95.04945	0.4
95.08560	1.0
97.06500	1.3
105.06998	0.7
106.02894	0.6
107.04932	1.0
109.02853	0.4
109.06506	0.5
111.04400	0.5
116.01762	0.4
119.04964	1.9
120.08119	2.0
120.99223	2.7
121.02857	16.7
121.03809	0.8
121.06478	0.5
122.03189	0.9
123.08031	1.1
124.03918	1.2
133.06467	0.4
133.83855	0.3
135.04369	0.5
136.07614	0.4
137.02296	0.7
145.02809	0.6
147.04407	3.4
148.04688	0.4
148.98721	0.6
151.07500	0.7
153.01843	0.8
160.98705	1.0
166.99695	0.7
171.02867	0.4
178.99716	1.0
179.07106	0.4
188.98160	5.7
201.05476	0.6
205.01115	0.6
206.99234	19.4
207.99597	1.0
214.99652	0.5
216.97684	1.1
218.05766	0.4
219.11180	0.5
223.03954	0.4
225.00282	52.0
226.00583	1.4
233.00870	0.5
234.98738	10.7
235.98976	0.5
237.07498	0.7
239.01779	3.7
239.05487	0.8
243.01341	2.3
247.06046	3.8
252.99863	1.5
265.06998	3.5
287.05286	0.9
288.05869	1.5
311.05463	1.0
312.05762	1.0
325.03421	5.5
339.04971	34.3
340.05234	2.1
340.08945	0.8
352.03003	0.4
353.02521	0.6
357.06018	14.7
358.06104	0.9
361.04184	0.7
366.04636	1.1
367.04459	100.0
368.04776	7.2
384.11200	4.9
385.05405	0.5
385.13055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
53.00322	1.0
53.67415	0.7
54.82038	0.7
63.72364	0.7
70.05904	1.7
70.06595	11.7
70.12515	0.6
71.06913	1.1
79.01848	8.2
93.19865	0.8
96.04482	0.9
103.05465	4.9
107.01317	87.3
108.01653	1.8
112.07544	0.8
112.08720	1.4
115.18427	0.8
131.04930	15.1
135.00772	14.2
136.07524	1.4
153.01822	15.8
164.03410	1.0
166.47354	0.7
167.03394	2.7
182.89227	0.7
186.22954	0.8
193.01279	3.6
193.05014	1.0
194.04437	0.8
199.27681	0.6
202.99750	13.8
203.03337	0.9
206.04343	1.2
211.02342	2.1
220.02409	1.0
221.00806	82.3
221.04411	3.9
222.01151	3.2
230.99246	24.6
232.05920	1.2
234.03984	2.2
235.02364	22.2
236.02673	1.0
239.01855	2.6
249.00304	34.1
250.00563	1.2
253.03432	2.2
263.01874	100.0
264.02377	4.2
280.04532	3.4
280.08115	1.2
281.02936	2.7
304.22134	0.8
307.05914	2.8
335.05435	5.1
338.10147	1.5
352.11932	1.6
367.08167	5.6
384.11026	1.0
384.15329	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	384.1076
Annotation	Torulosine
Peak:m/z	Relative Intensity
51.02376	1.1
53.00312	0.7
65.24321	0.4
68.05026	4.5
69.28600	2.8
69.90122	0.5
70.06595	1.4
79.01845	7.8
81.33386	0.4
81.51941	0.5
84.04502	2.1
92.04973	0.6
94.22356	0.4
96.04477	6.8
103.05455	9.9
107.01308	87.4
108.01662	2.3
110.05997	1.1
114.05492	4.4
124.03925	4.4
131.04913	27.4
132.05249	0.6
135.00761	15.7
138.01726	0.5
138.05498	5.3
139.00244	1.1
142.04993	6.7
153.01817	16.2
160.03941	0.5
164.03410	10.6
166.04996	1.7
167.03461	2.8
168.02928	1.3
170.04478	0.6
175.00243	0.6
178.04994	1.1
182.04477	7.7
188.03400	1.2
192.02924	2.2
193.01305	2.6
202.99722	15.5
206.04466	14.5
206.06314	0.9
207.02870	0.6
207.04767	0.8
210.03989	1.9
211.02403	1.7
212.05504	1.5
221.00790	86.3
222.01186	3.2
224.05518	0.7
229.01268	0.8
230.96844	0.9
230.99220	26.2
231.99551	1.5
234.03944	39.1
235.02333	22.9
236.02739	0.9
239.01830	4.6
248.01868	1.3
249.00293	32.4
250.00652	1.4
252.05072	1.6
253.03400	4.8
262.03485	3.0
263.01846	100.0
264.02158	5.2
280.04489	25.6
280.07556	1.1
281.02701	2.8
296.09048	0.5
307.05966	2.1
310.10742	4.9
335.05493	4.4
338.10187	28.4
339.10492	2.0
352.08014	1.3
356.11130	0.6
366.09601	1.0
367.08066	12.4
384.10715	16.8
384.15555	1.0
385.11142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1151
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01857	1.4
57.03442	2.8
60.33484	0.6
69.03401	0.9
70.06571	1.4
71.01315	0.9
71.40767	0.5
73.02914	1.1
81.33254	0.5
81.75059	0.6
85.02888	2.2
94.04034	0.7
97.02892	0.9
107.06048	0.8
115.03851	0.9
119.03590	0.7
121.05093	0.7
135.05592	1.1
135.06636	1.9
136.06184	16.2
137.04611	0.7
148.06172	5.4
151.03894	0.6
157.05254	0.5
160.06209	1.1
161.03459	0.8
161.05898	0.6
162.07745	36.9
187.03764	0.9
188.04126	1.0
188.05684	12.6
192.05147	17.6
205.06096	0.7
206.06720	6.6
216.05145	0.8
234.06233	11.5
252.07272	100.0
253.07550	3.5
305.09229	1.1
323.05551	1.2
332.01602	0.6
334.73172	0.5
349.08298	1.2
384.11490	23.9
385.11713	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	384.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.3
68.99785	0.6
69.36185	1.3
70.04818	0.2
70.06590	2.8
71.06931	0.4
72.08129	0.3
79.01839	0.3
91.05475	1.3
95.01313	1.3
103.05462	3.8
107.01308	2.3
110.02423	0.3
112.08744	0.5
114.10270	0.7
115.05449	37.0
116.05787	0.8
129.07014	0.4
130.06523	1.0
131.04921	12.3
132.05255	0.4
138.01909	0.6
139.05327	0.3
140.05229	0.3
141.06972	0.7
142.06511	19.4
143.04916	0.3
143.06866	0.7
146.05978	0.3
153.01816	0.4
153.06950	0.4
154.06488	1.6
155.04941	1.7
156.08061	1.0
158.06010	0.3
167.07268	0.6
168.04414	0.5
168.08095	4.0
169.01234	0.5
169.06404	0.3
170.06003	14.1
171.06331	0.5
178.06453	0.4
182.05984	2.6
184.07527	1.7
196.07578	5.5
197.07910	0.3
200.07094	1.0
206.06021	0.9
207.02972	0.5
210.05453	1.0
211.03928	0.5
212.06946	0.3
221.00822	2.3
221.04306	0.4
224.07050	7.7
225.07234	0.3
228.06589	0.5
230.99207	0.4
235.02379	0.4
236.07117	0.3
238.04970	11.0
239.05232	0.4
249.00407	0.5
251.05690	0.5
252.06557	9.7
253.06934	0.7
256.05969	2.1
263.01910	2.6
280.06027	92.9
281.06335	4.9
290.82147	0.3
298.07086	1.0
306.07623	0.5
342.11133	1.0
349.27399	0.3
384.12259	100.0
385.12607	8.4
385.17502	0.3
402.85425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1441
Annotation	AMG-208
Peak:m/z	Relative Intensity
55.05479	0.5
55.90954	0.5
69.64387	2.2
70.06589	3.9
73.64414	0.5
79.05429	1.6
84.04450	1.6
84.70383	0.5
95.04922	0.6
98.23374	1.2
103.05446	0.8
106.02848	0.8
106.06549	9.7
107.01311	5.7
107.04885	1.0
110.12349	0.5
112.08689	0.5
122.05989	2.3
124.07537	0.5
126.32970	0.5
130.05069	0.9
131.04884	1.6
134.05086	0.8
134.06001	11.6
135.00690	1.3
135.06752	1.2
136.07567	51.9
137.07864	0.9
138.05301	0.6
143.08086	0.5
150.09111	1.8
152.07034	2.3
153.01811	1.6
162.05489	11.1
163.06253	0.6
164.07066	2.5
164.13733	0.5
166.08606	3.2
166.50362	0.5
172.28778	0.6
176.03415	14.5
180.06496	2.8
182.04416	0.7
190.04967	16.6
191.05762	32.2
192.06528	8.2
194.04483	4.5
194.08122	7.7
202.01337	0.8
202.99710	1.5
203.01523	0.5
206.04346	1.1
208.06012	5.7
209.04996	0.9
209.06828	12.2
210.07573	3.4
220.06017	2.6
221.00793	4.5
221.04366	2.7
230.00836	1.2
230.02271	1.0
230.04448	19.1
230.99176	1.3
231.01186	1.7
234.03941	2.2
235.02316	1.4
248.05573	1.1
249.00287	1.9
262.07086	58.6
263.01913	7.2
263.07379	2.5
270.95151	0.5
280.04764	4.8
280.08121	89.5
281.08478	2.7
295.11993	3.3
298.09195	33.0
299.09476	1.8
324.12372	1.9
330.68683	0.6
338.10196	1.2
342.13446	1.5
362.69147	0.6
367.08185	1.3
372.55142	0.7
384.14410	100.0
385.14740	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	384.1442
Annotation	AMG-208
Peak:m/z	Relative Intensity
69.86838	2.1
70.06581	4.2
70.90167	0.6
75.88042	0.6
77.64941	0.6
79.05469	1.1
94.06550	0.8
106.06548	11.9
107.01273	3.2
107.04944	1.0
112.08706	1.0
122.05990	1.7
131.04887	1.0
134.06017	11.6
135.06732	1.1
136.07578	46.5
137.07872	1.1
137.68146	0.7
150.09122	1.9
152.07037	3.0
162.05507	10.9
163.06198	0.6
164.03459	0.9
164.07033	1.3
166.08650	3.9
176.02043	1.1
176.03429	11.4
180.06523	2.1
181.65344	0.6
190.04982	13.2
191.05783	23.6
192.06580	6.0
194.04495	3.6
194.08105	8.9
202.99779	0.8
208.06081	4.2
208.25005	0.7
209.06831	8.1
210.07596	1.9
212.34354	0.7
220.06010	2.2
221.00877	4.0
221.04431	1.5
230.04459	10.4
234.04063	1.0
235.02312	0.9
245.15234	0.7
248.05521	1.5
249.00302	1.1
262.07098	58.1
263.01917	4.7
263.07468	2.0
280.08148	89.1
281.08484	3.3
295.11993	2.6
298.09213	26.4
299.09515	1.1
324.12241	0.8
342.13449	1.7
342.83411	0.8
384.14417	100.0
385.14728	9.9
405.41507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.3
60.00092	0.4
60.05644	8.4
67.05485	0.7
68.05041	0.4
68.99796	1.3
69.36144	1.0
69.36552	1.3
70.06587	88.8
71.06927	1.6
72.05630	0.7
78.25384	0.4
79.01839	0.9
79.05492	1.1
81.07053	0.7
83.01338	0.5
83.06103	5.5
91.05481	3.2
95.04954	2.0
95.05509	0.4
95.06087	2.7
95.96056	0.5
97.06527	1.5
98.22727	0.6
103.05440	2.3
107.01305	9.9
107.04942	2.4
109.06533	1.1
112.08720	16.2
118.96876	0.5
119.04955	4.6
123.04425	1.2
124.03913	0.8
125.05966	1.0
131.04907	6.2
135.00780	1.9
135.04404	1.2
137.05978	4.3
138.05502	0.5
142.04956	0.6
145.92456	0.5
147.04399	5.1
151.03912	1.2
153.01797	1.6
153.05455	0.5
153.84804	0.4
164.03413	1.2
165.01855	1.4
165.05453	1.3
167.03424	0.5
169.01253	0.7
175.03894	6.4
179.03377	1.5
181.01309	4.1
182.04482	0.9
183.02907	1.0
192.00629	0.9
193.01262	0.6
193.04965	9.6
195.01146	0.5
195.02826	1.1
196.02362	1.5
199.02380	2.1
202.99745	1.9
203.03354	3.4
206.04471	1.5
209.04468	0.6
218.04555	0.9
221.01183	9.1
221.04424	82.3
222.04736	3.3
230.99181	2.2
234.03960	3.6
235.02361	3.0
238.07222	0.7
239.05490	2.7
245.05663	0.7
246.03911	3.3
249.00249	2.8
263.01886	11.1
263.06305	2.2
264.02130	0.7
264.04980	1.1
280.04584	2.2
280.09204	3.3
283.09644	2.6
289.08521	0.8
300.08673	0.5
310.10452	0.7
315.35083	0.4
325.10614	2.5
338.10263	2.9
342.13077	0.7
344.36047	0.5
350.10318	0.6
354.57379	0.4
366.14072	0.6
367.08252	0.8
367.12781	1.9
384.15482	100.0
385.11069	0.6
385.15820	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	384.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01856	1.0
55.05506	50.3
57.03434	1.5
58.99573	3.3
59.04985	1.5
61.02917	3.1
69.03423	9.0
69.88137	2.0
70.06588	2.7
71.04989	1.6
72.08140	1.6
73.02921	1.1
73.67081	0.8
74.22884	0.6
74.93163	1.7
76.02209	1.6
81.03410	5.2
83.08611	100.0
84.08079	0.8
84.08953	2.0
85.02896	22.7
86.09709	0.9
86.99042	4.0
87.00816	3.9
87.04469	0.9
88.04022	1.2
91.03960	0.9
97.02883	11.1
99.04452	2.9
101.06006	2.3
101.09650	18.7
102.07603	0.7
105.00073	9.6
105.01838	4.1
109.02880	2.7
110.07168	2.0
119.07063	3.4
120.08183	0.8
122.02709	1.6
124.28415	0.7
127.03903	11.5
127.04752	1.1
136.06126	0.8
145.04948	6.0
159.08397	1.2
162.06694	0.8
173.09349	0.8
187.06154	0.7
187.07880	2.0
205.08911	61.0
206.09311	1.2
222.11562	58.0
223.12013	1.6
231.04958	3.9
264.12567	1.5
265.07150	0.7
266.93362	1.4
293.79358	0.7
300.12723	1.2
342.38382	0.8
378.87680	0.9
384.11295	5.1
384.16391	4.4
385.00845	3.8
385.14706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.01867	9.4
57.03431	5.7
57.07062	2.3
59.67183	1.6
61.02927	8.5
65.03939	1.6
67.05498	5.5
68.99789	7.0
69.03426	37.9
71.04978	4.3
71.20897	2.2
73.02907	7.3
79.05484	10.9
81.03409	29.3
81.07045	3.2
83.01360	1.9
85.02898	100.0
86.03256	1.7
87.00822	56.0
91.03946	1.7
91.05448	9.3
93.07056	3.7
95.04984	5.6
95.08600	14.3
97.02894	38.8
97.06525	12.4
98.06860	5.7
99.04453	14.2
105.01864	75.8
105.07027	11.1
107.04948	17.2
109.02869	33.8
109.06501	7.4
115.05437	1.6
117.01842	2.4
117.07014	2.9
118.11814	1.6
119.04939	10.6
119.10677	3.6
121.02867	11.6
121.06493	5.9
122.03223	3.8
123.04441	2.5
123.08056	31.7
125.05981	7.2
127.03909	70.7
129.01785	2.9
131.04930	1.7
133.06462	8.3
135.04405	12.1
137.05975	3.2
145.04947	28.7
147.03214	3.0
147.04395	27.4
149.05951	2.6
151.07530	12.6
153.05457	4.4
159.02908	14.8
161.05988	1.7
167.07149	1.6
167.56114	1.7
169.01299	1.8
169.08621	2.9
175.48883	1.6
177.05429	3.0
178.95049	1.7
179.07069	5.6
181.01282	1.9
189.03957	2.5
190.02650	2.9
191.03403	3.6
191.07063	2.0
197.08064	2.2
201.05420	2.3
203.03383	3.4
205.04976	3.9
213.03870	2.0
218.05695	9.6
219.06511	8.8
221.04489	8.5
223.06017	4.7
229.05028	4.1
229.45139	1.6
231.05002	18.2
236.06828	2.3
237.07489	12.7
239.05522	4.5
247.06003	69.7
247.08562	3.6
249.06052	5.5
253.08212	1.8
265.07056	61.8
273.07590	2.8
282.11951	1.7
287.05457	4.3
288.05844	11.1
310.11349	2.8
312.09381	4.5
325.10559	3.0
340.08871	3.5
367.11795	10.6
384.11441	23.0
385.12320	3.6
397.06778	1.7
399.46823	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	384.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05506	2.7
55.07426	0.5
56.05046	1.2
57.03450	1.1
58.06596	3.9
63.73125	0.6
65.03955	0.7
66.19099	0.4
67.05500	3.8
68.05025	1.0
69.03409	0.6
69.07056	1.5
69.11551	0.5
70.06591	28.6
71.04987	2.1
71.32318	0.6
72.04517	7.2
72.08155	26.9
73.08469	0.6
79.05499	4.4
80.05044	0.6
81.03426	0.5
81.07067	3.8
82.06593	0.5
83.04987	0.6
83.44573	0.5
84.08144	10.1
85.06531	0.6
86.06055	0.6
86.09701	0.7
91.05478	6.6
93.07048	3.1
93.20070	0.4
94.06533	0.6
95.04956	1.5
95.08604	1.8
97.06556	0.6
97.08884	0.7
98.09650	2.5
98.49429	0.4
100.07615	100.0
101.07932	1.3
103.05460	1.6
105.07031	3.7
107.04945	1.2
107.08581	2.1
108.08109	1.9
109.89191	0.6
110.05995	0.7
110.09677	22.6
112.07627	0.9
113.05810	0.5
117.07014	1.1
117.10269	1.3
119.08578	2.1
120.08109	3.0
121.06478	0.6
121.08905	0.7
121.10117	0.6
122.09651	1.2
124.11206	1.3
126.09131	3.0
127.12320	3.0
129.10213	2.0
131.01279	1.3
131.04929	3.5
134.09642	1.6
135.11696	0.6
136.07535	1.1
136.11195	2.9
136.96872	0.5
145.10092	0.9
147.00781	1.5
147.04424	0.6
149.02287	0.6
162.12724	1.3
163.11105	0.7
165.01849	2.4
168.00529	0.9
169.01288	1.9
169.13344	0.9
170.01625	0.7
171.11368	1.3
187.00293	3.2
187.14410	9.8
194.15410	0.9
196.13329	0.6
204.02931	5.3
204.17097	0.7
205.01328	8.1
205.03203	0.9
214.99765	1.8
219.95003	0.6
222.03966	1.2
232.02463	3.6
237.38692	0.6
240.94316	0.6
247.02248	0.8
250.18028	0.9
252.19582	30.0
253.19829	1.6
254.21249	0.7
258.95300	0.5
268.19055	1.1
268.22726	1.4
279.09781	0.7
280.19058	5.3
302.04184	1.5
303.04620	5.9
304.05313	4.0
307.05960	1.5
324.08539	2.7
339.20145	1.2
341.12476	1.1
341.42194	0.6
342.27344	0.6
352.08197	0.9
367.25967	1.5
384.00815	1.6
384.14914	3.5
384.28513	82.5
385.28842	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	385.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30354	1.2
55.01869	5.9
55.05493	1.7
55.61301	1.3
58.99585	3.0
61.01145	4.9
67.05498	2.8
70.00197	2.8
70.00548	2.8
75.04476	100.0
81.07046	2.4
84.97514	1.9
85.02906	12.6
88.95192	2.7
89.00613	14.4
93.07048	1.7
95.08595	2.9
97.06528	3.5
101.06010	7.1
103.03944	4.3
107.01655	4.1
109.10139	1.9
113.02368	18.8
114.01381	1.9
117.00068	44.6
119.01633	5.4
119.08604	2.1
121.02789	1.3
125.09650	1.6
131.07045	1.5
132.99507	8.0
133.04964	4.6
142.97899	1.8
144.94160	4.2
144.99562	3.9
145.04958	7.8
145.98549	5.2
147.01134	2.9
147.04315	1.5
148.97273	3.5
149.02666	7.6
153.01831	2.5
169.04939	13.0
175.00595	16.5
175.06000	3.4
176.96739	29.8
177.02165	2.4
179.03589	2.3
200.96742	5.0
207.03238	2.0
232.99353	52.2
260.98907	3.8
265.06943	1.7
278.99976	2.9
283.06033	5.0
287.05362	2.1
293.01453	29.5
293.48831	1.3
294.01758	1.8
309.45947	1.3
311.02496	9.7
311.05457	3.2
321.00967	9.4
335.47589	1.6
349.20044	1.8
353.10010	7.5
367.11343	1.9
385.12283	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	385.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	12.5
61.01410	11.7
64.95886	11.0
70.06593	100.0
73.05707	11.8
84.00215	11.4
86.09701	14.5
110.07156	21.7
112.08690	12.5
114.76675	12.2
116.07104	17.8
153.55751	13.0
153.68800	13.0
181.04955	21.5
205.01437	13.5
225.17053	16.8
315.39606	13.8
385.08914	53.1
385.25491	76.8
393.40353	13.1
403.06891	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	385.0921
Annotation	Tetracenomycin F2
Peak:m/z	Relative Intensity
50.11666	0.5
51.02385	0.6
53.00317	0.7
62.40482	0.4
67.05508	0.6
70.06590	12.8
71.06930	3.5
72.08150	3.0
72.93816	0.7
79.01847	8.7
81.07043	0.4
91.05483	1.2
95.04961	0.9
97.07655	1.3
100.64043	0.4
103.05442	2.8
105.03378	0.5
105.07052	0.6
107.01312	100.0
108.01648	3.4
110.06065	1.7
110.97184	0.4
112.08720	1.6
113.00515	0.5
114.10285	8.0
119.04902	0.5
125.02395	0.5
131.04919	8.8
132.05252	1.0
135.00774	13.1
136.07581	1.4
142.06517	0.9
149.02388	0.7
153.01819	17.8
154.08641	1.7
167.03429	0.7
193.01350	2.0
195.02914	1.0
202.99724	13.0
205.01355	0.6
207.02840	0.6
208.24327	0.5
211.02414	1.1
220.06044	0.8
221.00800	96.8
221.04428	2.6
222.01208	4.3
222.04776	0.6
222.07567	2.0
228.94357	0.7
230.99243	17.9
231.99664	1.4
233.00945	0.6
235.02449	3.4
236.02689	0.8
238.05019	0.9
239.01857	2.7
249.00293	83.7
250.00708	3.5
256.93799	1.9
263.01849	9.9
264.02182	3.1
267.01349	29.6
268.01614	1.2
274.94812	1.1
280.08218	0.8
281.02914	42.4
281.08047	1.1
282.03168	1.7
298.09100	0.8
299.09494	0.7
316.95993	1.8
326.13879	1.7
353.06519	8.2
353.10583	0.4
361.47858	0.7
367.08154	0.7
367.14633	0.6
368.15231	0.7
384.15213	0.7
385.09055	4.1
385.15271	3.0
385.19406	1.2
386.15878	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81455	0.6
59.76402	0.5
69.21208	2.8
69.21616	1.3
70.06557	0.6
72.08133	0.9
77.07980	0.5
95.04954	0.6
103.05465	1.1
103.10184	0.6
107.01331	0.7
112.90697	0.6
114.10270	1.6
131.04956	1.4
149.02344	5.6
154.08607	4.1
171.96799	0.6
193.04988	5.4
209.05777	1.3
222.07579	0.8
253.04688	1.1
256.11774	0.8
281.04196	7.5
282.09561	0.8
299.05307	2.0
339.09818	0.6
353.08469	0.8
384.31085	3.8
385.10422	100.0
385.31198	1.6
386.10684	7.8
386.16006	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	385.1279
Annotation	Ophioglonol prenyl ether
Peak:m/z	Relative Intensity
50.58108	0.3
55.01850	0.4
56.04398	0.4
57.03424	0.3
65.03944	0.4
67.05492	0.3
68.99780	0.7
69.44328	1.5
79.05486	0.9
81.07041	0.8
83.01328	3.9
91.05411	0.3
93.96721	0.3
98.23407	0.6
99.39400	0.4
99.87605	0.3
119.04941	3.5
121.02864	5.3
121.06488	0.5
123.00755	0.8
147.04381	0.6
149.02319	0.6
153.01767	2.0
169.01340	0.8
173.05937	0.3
181.01299	17.4
182.01724	0.8
195.02866	0.5
199.02370	11.7
205.04962	0.8
212.84311	0.3
219.06346	0.3
221.04407	0.7
222.66267	0.4
223.06033	0.9
237.07509	0.6
246.05266	0.4
247.05997	0.9
265.06805	1.8
271.06006	1.0
286.04669	0.7
287.05481	5.7
288.05579	0.4
299.05469	100.0
300.05811	5.7
311.05548	1.2
312.06058	0.4
313.07022	0.5
323.09167	0.5
341.10159	60.6
342.10510	3.2
366.05948	0.4
367.11862	0.5
385.12762	72.8
386.13083	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	385.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.8
59.04981	1.5
67.05494	1.7
68.99788	3.6
70.06554	2.9
70.41838	1.3
72.08144	1.9
79.01855	2.3
81.03407	4.6
81.80328	1.5
82.02946	2.0
84.04470	2.2
84.08137	2.4
91.05490	2.9
95.04936	3.0
97.52799	1.8
100.07604	10.1
100.35649	1.4
101.56210	1.9
103.05463	17.3
105.07011	2.4
107.01297	6.0
107.05003	1.6
108.01670	2.3
110.09673	3.1
114.05496	4.8
119.04885	1.5
130.02901	2.6
131.04929	43.8
132.05292	3.3
137.02332	1.5
137.05927	1.9
147.04367	2.5
151.05023	2.1
153.09239	1.5
165.01749	2.2
175.00125	1.9
176.03468	2.5
179.04549	3.2
180.02864	2.8
186.01767	2.4
188.03404	12.2
189.02925	6.5
193.01271	4.2
195.02878	2.1
201.05501	3.1
203.04474	6.8
204.02907	8.1
204.06602	3.3
205.01343	3.5
205.17201	1.6
206.04477	34.6
207.04054	8.7
208.02463	1.9
208.06030	5.8
210.09122	4.6
214.01297	6.3
219.02866	3.3
221.00900	7.8
221.05772	10.4
222.01105	4.8
223.02243	2.9
223.14346	1.6
225.00334	2.7
231.04062	14.9
232.02393	65.9
233.02814	2.6
248.07097	2.5
249.05074	24.4
252.19559	4.9
262.08798	2.6
265.09738	4.2
270.04788	1.8
276.06293	2.2
282.05814	2.7
290.08105	15.1
292.09756	16.9
293.09232	7.6
303.07544	3.5
307.10684	9.8
308.06186	3.3
308.09229	4.1
318.07596	13.0
323.08902	2.3
335.10242	100.0
336.05536	2.3
336.10632	7.0
353.10403	1.8
368.04391	7.7
368.15024	8.1
384.28384	5.9
385.12790	4.8
385.28952	3.2
386.12140	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	385.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11750	1.4
68.99765	1.8
69.06952	10.6
70.06593	2.1
79.05495	1.5
82.02933	1.4
84.08114	3.3
85.85831	1.3
87.80564	1.4
91.05479	3.3
95.08629	1.7
96.04493	1.6
100.07619	7.9
103.05452	21.2
105.03391	1.8
107.04956	2.1
110.06051	2.6
110.09668	2.4
114.05527	2.8
117.06986	2.1
120.00832	4.2
121.74545	1.5
123.05621	1.7
124.07597	2.2
130.36345	1.6
131.04921	54.0
132.04385	1.4
134.02344	2.8
135.11778	1.3
136.03940	6.5
140.00499	1.6
141.55058	1.4
145.06471	1.4
148.03928	2.1
151.03899	2.2
151.05017	5.3
153.84401	1.5
158.02362	2.6
160.03996	1.8
162.05554	1.8
163.88223	1.6
164.07158	2.1
166.01381	2.2
167.06989	1.7
168.02943	5.5
176.07086	1.8
179.04463	5.6
180.03070	2.0
184.02448	2.6
187.99782	3.6
188.03384	8.7
189.02965	5.2
194.04370	2.4
201.05489	6.6
203.04536	4.7
204.02945	10.8
204.06596	6.7
206.00674	1.8
206.04491	24.0
207.04013	5.0
208.06067	7.7
210.09125	18.6
214.01384	3.3
215.99252	28.0
220.07635	3.5
221.01048	1.9
221.05595	7.1
222.04013	2.5
231.04156	7.4
231.06483	1.6
232.02405	37.9
232.06026	2.6
233.01929	25.4
234.00343	3.8
234.05602	2.6
234.09125	3.6
237.10243	14.2
238.08722	1.7
247.07504	2.1
248.07022	3.6
249.05090	15.5
252.19704	2.7
253.19989	1.8
262.08594	11.6
264.05106	1.8
264.08661	2.9
265.04828	10.4
265.09717	22.7
266.08109	4.2
268.22842	1.9
270.07623	6.2
272.09265	3.8
276.06516	16.4
282.06134	2.4
285.46780	1.8
290.05185	3.0
290.08124	18.3
292.09680	15.2
293.09183	18.9
294.07736	1.8
294.11292	3.5
307.10873	7.2
308.09277	12.9
308.12729	3.0
318.07739	10.2
335.10251	100.0
336.10806	2.2
353.11267	5.5
367.12970	1.8
368.15036	7.8
384.28421	3.9
385.13846	4.0
385.28946	3.5
386.16028	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	385.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13163	0.5
62.26445	0.4
67.05508	0.8
68.99793	0.9
69.34193	2.7
70.06579	0.6
70.19258	0.5
70.56038	0.4
79.05505	2.4
81.07045	0.9
91.05480	1.4
93.07015	0.9
94.09341	0.4
95.04999	1.1
95.08604	2.4
97.02912	0.7
97.06535	1.1
105.07034	1.8
107.04955	2.7
109.06515	1.7
117.06968	0.6
119.04928	3.4
119.08596	0.5
121.02892	1.1
121.06506	1.4
123.08070	5.3
125.06010	2.4
126.19510	0.5
133.06480	0.9
135.04439	2.6
137.05945	0.9
141.63542	0.5
147.04404	9.8
149.05951	0.6
151.07536	1.8
153.05469	0.7
169.01302	0.5
169.08669	1.2
177.05408	0.6
179.07013	1.2
191.07112	0.8
195.06557	0.6
197.08148	0.7
201.05586	0.9
206.99208	0.6
218.05780	1.4
219.06500	1.3
221.04512	1.1
223.05975	1.2
233.05315	1.8
237.07477	2.4
239.05460	1.2
247.06024	10.6
248.06233	0.7
265.04407	1.0
265.07065	11.7
273.07660	0.9
283.08145	0.8
292.09753	0.6
310.10791	1.5
325.10760	0.8
339.12073	0.6
341.10135	0.6
345.33212	0.5
367.12964	100.0
368.04730	1.7
368.13284	5.4
385.14026	35.0
385.22058	1.7
386.14026	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28675	1.1
55.01866	2.7
56.96574	1.2
57.03439	1.3
57.92009	1.0
61.02932	1.4
64.35892	1.1
67.05476	1.9
68.99776	3.0
69.03416	2.6
70.06598	3.4
71.01347	1.5
71.43244	1.3
72.08167	1.8
77.09711	1.1
78.04728	1.6
79.05490	9.4
81.03390	2.3
81.07002	1.3
84.02098	2.0
84.08114	1.0
85.02895	8.5
91.05483	5.9
91.22679	1.3
93.07053	4.1
94.04192	1.5
95.01318	1.4
95.04976	4.2
97.02866	2.2
99.00844	1.9
100.07599	6.2
103.05476	3.7
105.04549	1.3
105.07053	7.0
106.04189	1.7
107.04948	17.5
109.06481	1.3
110.06065	1.3
110.09682	1.6
112.01595	2.9
113.02414	1.1
115.05495	2.3
117.07034	2.1
118.06539	26.0
119.04919	2.2
121.06507	11.2
123.00794	1.6
123.04425	4.2
124.05220	5.0
126.77563	1.2
127.00282	2.8
128.06194	3.3
130.06511	19.3
131.04930	4.9
132.08041	6.4
133.06436	5.4
134.03609	2.3
135.04478	1.5
137.05972	5.1
138.06628	1.1
140.01053	3.3
141.06958	1.7
144.08067	3.7
145.04936	1.6
145.06474	3.6
146.05994	13.9
147.04454	5.9
149.05986	4.4
152.04752	2.1
153.05507	1.4
156.05615	6.5
160.05235	2.1
160.07574	24.3
161.05994	5.3
163.03900	4.1
166.06252	1.4
167.07031	70.2
168.00536	33.4
168.07399	1.5
169.01318	95.0
170.01704	2.8
170.06010	6.3
171.04427	2.1
171.08084	2.5
173.05986	2.4
179.07066	1.8
181.08604	24.0
184.05228	3.1
185.00879	1.7
186.01602	25.7
186.03197	2.6
187.02296	2.1
187.03917	5.9
187.07555	3.6
188.04506	1.9
188.07053	22.7
188.08641	1.5
189.05443	1.4
191.06969	1.5
193.08604	25.1
199.07555	2.9
201.05452	5.7
205.08615	4.4
206.08118	75.7
207.08420	2.6
213.05446	2.4
217.08614	12.6
218.07338	1.9
231.08047	1.7
231.10100	11.2
233.09595	3.2
235.07500	1.6
240.03746	1.3
241.04953	7.5
248.08981	1.3
248.97002	100.0
249.09050	2.0
249.97276	3.6
250.10092	2.3
257.04446	4.4
258.05246	1.4
261.09164	4.8
263.07086	2.1
267.10156	1.3
269.04486	2.6
277.08606	1.6
278.09329	3.3
279.10104	1.5
285.03925	36.6
286.04678	61.0
287.05255	7.1
293.11667	4.2
295.09583	1.4
303.04822	1.7
304.05917	3.1
305.06497	4.4
307.09515	1.4
310.12234	1.8
321.11237	4.7
325.14322	5.2
335.01791	1.7
343.00952	1.6
353.13858	7.0
366.27374	1.7
385.02307	14.8
385.16422	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.61860	0.9
67.05510	1.7
68.99789	1.0
69.47322	0.8
70.06599	1.4
77.03943	1.8
78.04716	3.9
79.05486	14.7
81.07045	2.4
91.05473	8.8
93.07047	6.1
95.04955	5.7
98.23503	2.1
103.05492	4.5
104.06284	1.0
104.12546	0.9
105.03408	1.4
105.04535	2.3
105.07032	11.6
106.04174	2.5
107.04945	21.0
108.05716	2.0
109.06513	1.2
115.05458	5.2
117.07021	3.9
119.04930	2.1
120.05703	1.4
121.06509	16.3
122.03685	1.1
122.06895	0.9
123.04437	8.1
124.05199	7.6
128.06224	5.8
131.04919	5.5
133.06499	11.6
134.03639	1.1
135.04405	1.1
136.05209	2.1
137.05966	3.1
138.06758	2.8
141.07028	1.2
142.07878	1.0
143.08575	2.3
144.05618	2.0
145.06451	5.6
147.04391	3.2
148.00342	1.0
148.05197	1.4
149.05956	5.6
151.03889	10.4
151.05017	1.4
151.07541	2.0
152.04691	5.0
152.06004	1.0
153.06981	1.5
155.06029	2.1
156.05693	11.4
157.06454	1.1
159.08000	1.2
160.05174	1.3
161.05975	7.6
165.05452	1.0
166.06252	3.8
167.07030	100.0
168.07381	4.1
169.06444	1.9
170.07283	2.7
171.07994	3.3
173.06036	4.3
179.07022	3.0
181.08589	31.7
182.08891	1.5
184.05173	1.1
187.07506	4.8
189.05511	3.2
190.01309	1.2
190.07802	1.4
191.97862	1.1
193.08592	31.6
194.08914	1.7
199.07561	4.4
201.05498	1.9
202.06250	3.6
203.08626	1.8
203.10550	1.1
205.08470	4.2
215.08597	2.8
216.07849	1.9
217.05028	1.5
217.08546	14.4
218.07249	3.2
219.07971	2.2
220.08742	1.3
224.08136	1.1
231.08002	2.5
231.10201	11.1
232.08733	1.8
233.09604	7.5
235.07584	3.2
244.08730	1.0
246.06810	1.6
247.07506	1.6
249.09044	2.8
250.09865	1.9
260.08194	2.1
261.08978	6.1
262.09857	1.1
263.07101	2.7
265.08423	1.4
265.12219	1.0
267.10025	1.1
275.06979	1.1
275.10538	1.6
277.08499	2.0
278.09320	3.0
279.10019	2.2
281.03751	1.4
289.08603	1.4
290.09219	1.7
291.10098	1.6
293.08167	1.1
293.11615	5.3
295.09497	1.2
306.08762	1.4
307.09641	1.4
310.11975	2.8
321.11285	4.3
322.11807	1.2
323.09232	1.3
325.14450	4.5
335.12497	1.2
338.11612	1.3
339.12134	1.3
353.13800	10.3
354.14294	1.7
370.13474	1.1
385.16367	15.4
386.16818	1.6
394.37354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02994	4.0
55.05508	1.2
58.87857	0.4
60.05646	4.5
68.99780	0.5
70.06573	2.5
70.74119	0.4
71.40684	0.5
72.05630	1.5
72.08153	42.7
73.08465	0.4
82.06587	0.6
85.10564	0.4
86.07172	1.1
91.05473	0.8
95.04943	0.4
96.04510	0.6
97.07648	21.8
97.70181	0.4
98.07975	0.5
103.05467	7.5
105.03408	0.6
107.01305	1.2
107.04977	0.7
110.06027	1.0
112.03940	0.4
114.05544	0.9
114.10284	100.0
115.10631	1.9
116.98615	0.4
117.07138	0.4
121.06466	0.7
123.49544	0.4
124.07600	0.6
126.73492	0.4
130.02850	0.7
131.04924	20.9
132.05319	0.5
133.03935	0.7
135.05524	0.5
136.03918	0.9
137.02370	0.5
137.05966	1.2
138.01833	1.2
147.04395	0.6
147.05533	1.0
148.03874	0.5
151.03894	0.6
151.04991	0.6
152.03415	0.5
154.04997	1.1
158.02313	0.5
161.03516	0.7
165.01892	0.8
166.01315	1.1
167.02136	1.4
168.02943	1.8
172.29410	0.4
173.06075	0.6
175.05023	0.8
175.65738	0.4
176.03430	0.8
177.06622	0.5
179.04619	0.6
179.06876	0.4
180.02913	4.7
185.03136	0.6
186.01785	0.6
188.03401	3.5
189.02965	2.0
194.08093	0.6
195.02930	0.8
197.04401	0.5
201.05426	3.0
203.04581	3.5
204.02962	2.8
204.06566	0.6
205.01343	0.8
206.04477	12.5
207.03972	2.8
208.02367	0.4
210.09113	0.9
214.01369	1.1
219.07719	1.7
220.05994	5.7
220.07727	0.5
221.00835	0.8
221.05609	3.7
222.04048	0.9
222.07607	18.3
223.02245	0.8
223.08015	0.9
225.05200	0.6
231.04007	4.1
232.02397	23.8
233.02634	1.3
237.10461	0.7
240.05252	0.6
240.08722	0.8
247.07243	1.9
248.07112	0.6
249.05040	7.6
250.05490	0.7
262.08716	0.7
264.09851	1.0
265.09583	1.4
276.06650	1.2
282.06012	2.2
284.09122	0.7
290.08072	4.5
292.09631	5.5
293.09344	2.1
300.06940	0.5
307.10696	3.0
308.06522	1.2
308.09247	1.5
318.07635	3.7
323.09174	1.7
326.10712	0.3
326.13843	18.3
327.14166	1.1
335.10242	30.9
336.10553	1.8
351.08792	0.8
351.13104	1.0
361.02286	1.3
367.12311	0.5
368.11282	1.1
368.15863	2.8
385.18698	36.7
386.12299	1.5
386.19562	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	385.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
55.05517	13.9
57.07068	9.4
62.85526	1.6
67.05510	6.7
68.99786	4.6
69.07069	11.3
70.06583	5.4
71.01343	2.4
72.08165	5.6
72.70345	1.5
75.12383	1.6
78.86208	1.6
79.01859	1.7
79.05482	5.1
81.03402	2.1
81.07055	7.2
83.08613	8.2
89.87778	1.5
91.05481	7.6
93.07042	6.0
95.01310	1.8
95.04960	4.4
95.08608	6.5
97.07662	2.7
97.10159	7.0
98.23538	3.5
103.05455	12.8
105.06985	7.6
107.01308	5.6
107.04954	4.9
107.08609	3.2
109.06548	2.3
109.10155	3.2
111.08125	2.3
112.07606	8.9
113.07940	5.8
114.08109	1.5
114.10287	13.9
119.08580	4.1
121.02902	4.3
121.06482	2.5
121.10197	2.3
123.04436	6.0
123.37038	1.5
125.02325	1.6
127.03923	1.7
127.09935	5.5
128.10291	4.0
129.07004	2.6
129.10561	2.3
131.04927	23.7
132.05164	2.3
133.10138	3.3
135.04385	2.2
137.02324	4.2
139.03902	5.0
147.08044	2.6
149.02338	4.3
151.03923	4.0
155.03374	2.7
161.06059	1.5
161.09575	1.7
161.13269	1.7
165.01878	2.5
167.03407	6.0
167.08374	1.9
169.04980	3.0
171.11755	2.6
172.42624	1.7
175.07674	1.7
175.11163	3.0
179.07137	1.9
179.08604	2.0
184.19115	1.5
189.12695	3.7
207.13890	2.0
217.12138	7.4
217.59195	1.5
221.00903	2.9
222.01227	2.5
222.04681	1.7
222.07509	3.5
225.14818	2.2
228.83286	1.6
235.13222	7.7
240.05045	1.8
248.08084	1.9
253.08571	3.5
253.14331	14.8
256.11914	1.5
263.01755	2.0
264.02420	1.9
281.13809	100.0
282.14203	5.2
284.77484	1.7
299.14883	25.5
300.15469	2.9
322.16400	2.8
326.13980	2.6
339.19754	2.9
353.14780	5.7
361.22507	1.6
385.20425	20.0
386.20349	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	385.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56691	2.3
52.73706	2.4
55.05496	7.4
57.03426	5.8
57.07069	8.0
59.04982	4.0
65.03944	3.5
67.05502	19.8
69.03419	6.9
69.07050	4.6
69.47020	10.6
71.04977	6.4
79.05483	14.1
81.07048	15.9
83.04959	3.4
84.08108	2.5
85.06532	5.4
91.05479	24.3
93.07041	32.1
95.04973	17.1
95.08604	21.6
97.06506	7.8
99.04418	3.8
105.07011	38.9
107.04917	4.7
107.08579	47.9
109.06499	14.4
109.10119	8.4
111.04449	7.5
111.08049	13.7
113.05984	3.2
117.07005	15.4
119.08559	40.4
121.06456	10.4
121.07319	2.5
121.10119	11.4
123.08070	34.2
123.11625	3.7
127.01501	5.9
128.06236	3.7
129.06989	12.4
130.07738	8.5
131.08543	37.7
133.06447	6.0
133.10132	14.6
135.08104	15.5
135.11685	35.1
137.05956	23.9
137.09564	7.7
139.07558	3.5
142.67720	2.7
143.08530	9.3
144.09306	12.0
145.06430	4.3
145.10121	45.6
147.08003	19.2
147.11646	6.0
149.09621	17.5
149.13249	3.0
151.07533	86.5
153.09145	4.6
157.10080	7.5
159.08083	15.9
159.11684	46.9
161.09612	13.1
161.13223	3.6
162.10365	8.3
163.11177	35.1
165.09024	14.7
169.10056	5.4
172.08752	5.0
173.09619	4.5
173.13255	7.3
175.11121	6.0
177.09166	14.2
177.12741	31.2
185.09581	3.7
187.11151	36.8
189.12701	16.7
199.11241	3.1
201.12773	3.2
203.14320	7.8
205.12228	70.1
207.13754	8.8
209.15331	4.8
215.14346	5.2
221.15315	12.5
235.94672	3.1
249.16904	3.2
286.19113	18.3
311.16602	4.9
329.17661	3.4
367.22565	12.4
385.18921	5.4
385.23618	100.0
386.24017	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	385.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.6
55.01859	3.9
55.05497	6.3
57.07063	11.6
59.04991	9.0
67.05502	18.9
67.31055	3.2
69.03446	6.2
69.07083	5.9
71.04993	8.9
79.05487	21.2
79.75826	3.3
81.07059	22.4
83.04995	5.2
83.08630	5.8
84.08151	4.5
85.06566	7.7
91.05466	33.9
93.07030	33.5
95.04970	16.3
95.08602	26.1
97.06521	8.3
99.04472	6.1
103.05470	6.3
105.07022	60.6
107.08599	50.9
108.05758	3.8
109.06511	15.7
109.10145	10.0
111.04438	16.6
111.08089	11.9
115.05500	4.2
117.06985	21.5
119.08570	54.4
120.46204	3.7
121.06504	13.2
121.10163	9.4
121.40411	3.3
123.08067	47.7
124.04076	4.1
128.06236	7.7
129.06992	15.6
130.07845	7.6
131.08566	44.0
133.06416	8.1
133.10126	17.9
135.08067	18.9
135.11684	52.0
137.06000	29.1
137.09631	7.1
143.08569	8.0
143.37955	3.4
144.09325	11.6
145.06493	4.6
145.10121	56.1
146.10435	3.8
147.08064	14.9
147.11691	6.1
149.09618	13.0
151.07532	100.0
153.09064	7.4
157.10141	12.4
159.08086	22.4
159.11682	70.4
161.09587	14.3
161.13260	6.5
162.10381	8.4
163.11179	43.7
165.09056	17.1
169.10045	4.3
171.11714	5.8
172.08810	7.3
173.09613	6.6
173.13260	6.9
175.11180	7.9
177.09076	23.6
177.12761	32.1
181.10115	4.5
183.11685	4.8
185.13063	5.4
187.11139	32.6
189.12706	17.6
199.14827	3.7
201.12889	5.0
205.12225	74.6
207.13780	10.8
209.15350	5.0
221.15367	11.6
223.10918	3.4
225.12692	4.2
286.19214	17.8
311.16364	6.5
367.22626	14.0
385.23593	96.5
386.23993	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	385.237
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
52.56691	2.3
52.73706	2.4
55.05496	7.4
57.03426	5.8
57.07069	8.0
59.04982	4.0
65.03944	3.5
67.05502	19.8
69.03419	6.9
69.07050	4.6
69.47020	10.6
71.04977	6.4
79.05483	14.1
81.07048	15.9
83.04959	3.4
84.08108	2.5
85.06532	5.4
91.05479	24.3
93.07041	32.1
95.04973	17.1
95.08604	21.6
97.06506	7.8
99.04418	3.8
105.07011	38.9
107.04917	4.7
107.08579	47.9
109.06499	14.4
109.10119	8.4
111.04449	7.5
111.08049	13.7
113.05984	3.2
117.07005	15.4
119.08559	40.4
121.06456	10.4
121.07319	2.5
121.10119	11.4
123.08070	34.2
123.11625	3.7
127.01501	5.9
128.06236	3.7
129.06989	12.4
130.07738	8.5
131.08543	37.7
133.06447	6.0
133.10132	14.6
135.08104	15.5
135.11685	35.1
137.05956	23.9
137.09564	7.7
139.07558	3.5
142.67720	2.7
143.08530	9.3
144.09306	12.0
145.06430	4.3
145.10121	45.6
147.08003	19.2
147.11646	6.0
149.09621	17.5
149.13249	3.0
151.07533	86.5
153.09145	4.6
157.10080	7.5
159.08083	15.9
159.11684	46.9
161.09612	13.1
161.13223	3.6
162.10365	8.3
163.11177	35.1
165.09024	14.7
169.10056	5.4
172.08752	5.0
173.09619	4.5
173.13255	7.3
175.11121	6.0
177.09166	14.2
177.12741	31.2
185.09581	3.7
187.11151	36.8
189.12701	16.7
199.11241	3.1
201.12773	3.2
203.14320	7.8
205.12228	70.1
207.13754	8.8
209.15331	4.8
215.14346	5.2
221.15315	12.5
235.94672	3.1
249.16904	3.2
286.19113	18.3
311.16602	4.9
329.17661	3.4
367.22565	12.4
385.18921	5.4
385.23618	100.0
386.24017	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	385.2736
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
50.14969	2.9
53.81417	3.2
55.05502	17.9
57.07069	7.3
59.05019	4.4
65.03941	6.4
66.83604	3.2
67.05499	36.2
69.03422	7.2
69.07063	15.4
69.28441	8.7
69.28844	10.4
70.43133	3.0
71.04984	16.2
79.05497	36.5
81.07051	64.3
82.64307	3.6
83.04974	12.8
83.08634	5.7
85.06547	7.3
91.05478	43.2
93.07040	93.9
95.04953	14.5
95.08600	69.5
97.02889	9.9
97.06549	10.0
97.10150	5.6
97.54188	3.1
105.07030	82.5
107.08587	73.6
107.91399	3.2
108.68552	3.3
109.06530	14.7
109.10133	52.8
111.03667	4.9
111.04436	100.0
111.08104	6.9
112.03178	3.0
113.09639	4.0
115.05436	3.9
117.07023	20.9
118.19598	3.2
119.06098	4.0
119.08576	73.2
120.42455	3.8
121.06521	14.0
121.10143	61.6
123.04469	4.0
123.08105	21.0
123.11704	20.1
125.09636	5.5
128.06215	4.1
129.07007	12.6
130.07808	5.8
131.08560	53.3
133.10118	89.4
135.08025	17.5
135.11678	31.8
136.46968	3.7
137.05977	8.8
137.09607	14.6
141.07034	5.7
142.07811	7.3
143.08557	19.7
144.09360	10.3
145.06516	4.5
145.10109	82.3
147.08044	10.6
147.11691	32.8
149.09592	8.3
149.13239	18.4
151.07573	30.0
151.11160	10.1
153.09109	11.1
156.09320	4.6
157.10115	23.5
158.10925	6.4
159.08063	8.9
159.11694	62.4
161.09612	11.1
161.13287	18.8
163.11227	16.9
163.14812	8.7
165.09166	8.8
169.10133	4.9
171.11740	14.4
172.08897	4.0
173.09581	5.6
173.13263	41.8
174.41058	4.4
175.11188	5.8
175.14848	10.2
177.09056	4.8
177.12744	11.1
177.16257	5.3
179.10629	4.0
179.14267	4.9
183.11713	8.4
185.13304	14.4
186.13686	3.8
187.11197	11.3
187.14810	35.7
189.09219	3.9
189.12743	5.4
189.16393	8.9
191.10699	14.9
193.12183	3.7
195.11729	5.0
197.13245	5.4
199.14816	15.0
201.16373	47.6
205.12178	22.0
213.16316	8.2
219.13806	5.1
219.17433	10.9
239.14297	4.4
245.15292	4.6
253.19609	5.5
269.22537	3.7
281.19012	6.2
287.19955	4.6
287.23557	4.2
299.20059	11.6
311.19962	4.6
315.22964	4.3
321.25726	4.0
325.21573	4.8
331.23993	4.0
349.25418	3.9
367.26260	44.7
368.26599	4.7
385.22629	18.1
385.27664	49.7
386.40048	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	385.2737
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
55.05503	40.2
55.77848	4.2
57.07066	8.1
59.64959	4.9
65.03931	10.3
67.05505	38.2
68.62927	5.0
69.03413	10.5
69.07059	20.4
69.13841	34.8
71.04992	6.4
77.42391	5.5
79.05487	43.8
81.07055	87.0
82.53793	5.1
83.04977	69.2
85.06485	6.9
88.35339	4.6
91.05475	57.6
93.07040	92.8
95.04963	63.9
95.08596	97.7
97.02895	6.3
97.06523	19.6
99.04436	8.7
104.23390	6.1
105.07031	100.0
107.08590	76.7
109.06519	19.5
109.10145	43.5
111.04420	43.1
111.08081	11.4
117.07008	19.1
119.08566	75.1
121.06474	12.4
121.10152	56.9
123.04439	6.0
123.08052	13.0
123.11697	15.0
124.03959	6.5
125.05939	5.7
125.09568	7.3
128.06209	6.5
129.07024	12.6
131.08542	43.4
133.10120	49.4
135.08017	19.8
135.11664	25.0
137.09589	14.4
139.11154	11.0
142.07816	8.1
143.08540	21.9
145.10103	53.0
147.08046	11.6
147.11702	44.7
149.09631	7.0
149.13245	13.5
151.11174	12.5
155.08575	7.0
155.10622	5.9
157.10129	23.8
159.08061	7.0
159.11682	49.1
161.09573	12.9
161.13245	23.2
163.11180	10.8
165.12727	18.5
167.10637	6.2
169.10049	5.1
171.11639	15.0
173.13260	21.7
175.14833	10.5
185.13258	17.8
187.14793	22.6
189.16388	14.2
199.14842	11.1
200.21124	5.3
201.16324	29.0
203.14365	6.6
204.14470	5.1
209.13278	5.9
213.16270	6.3
227.17906	8.0
245.19011	5.3
251.18053	6.9
255.17513	6.1
349.25211	9.2
367.26102	33.5
385.12863	10.9
385.27423	59.6
386.10330	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	385.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50378	3.6
55.05510	20.2
56.10543	3.4
67.05502	33.1
69.07056	17.2
70.70969	3.7
70.78341	3.8
79.05491	34.5
81.07060	52.5
83.04965	19.3
83.08627	6.1
85.06561	3.7
91.05472	32.3
93.07035	47.9
94.02606	3.5
95.04967	100.0
95.08609	46.9
97.06532	11.9
103.05467	4.6
105.04534	4.9
105.07029	48.7
107.04972	3.9
107.08603	40.8
109.06521	20.6
109.10176	29.7
111.04443	5.0
111.08023	8.0
115.05444	4.3
117.07024	14.7
119.08580	48.1
121.06524	10.5
121.10132	32.0
123.04429	8.6
123.08067	9.7
123.11675	7.6
125.09618	4.3
126.30049	3.9
129.06995	7.2
131.08557	26.1
133.10141	26.6
135.08060	15.7
135.11711	14.2
137.09590	6.3
139.11163	5.7
143.08557	13.1
144.84253	4.0
145.10101	31.7
147.08028	12.1
147.11682	25.4
149.02312	5.8
149.09621	6.9
149.13286	4.8
151.11203	6.1
156.09206	4.8
157.10112	9.8
159.11726	29.8
161.09621	9.5
161.13243	10.8
163.11171	9.7
163.14822	7.4
165.09172	5.5
165.12698	5.0
169.10153	6.0
171.11714	12.3
173.09691	4.2
173.13260	9.6
175.11163	8.7
175.14807	5.3
177.12737	4.9
183.11578	7.8
185.13300	6.7
187.14885	10.3
189.12755	6.1
197.13307	6.2
199.14828	7.6
201.16415	8.5
211.14780	8.3
213.16470	7.7
215.14507	4.9
225.16109	4.1
243.17548	5.0
245.18925	4.9
252.19597	4.7
262.78796	4.1
271.05939	5.2
299.20013	4.4
321.25647	4.8
339.26871	11.0
349.25201	7.4
367.11737	4.2
367.26218	21.1
385.12708	11.4
385.27478	31.9
395.61670	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	385.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08730	0.2
54.09008	0.2
55.05524	0.2
72.40220	0.2
72.88499	0.3
81.07024	0.3
98.23490	0.8
137.05405	0.2
270.42267	0.2
385.19061	1.9
385.29181	100.0
386.29550	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	386.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.52446	0.3
57.07048	0.6
59.86201	0.3
60.95950	0.3
66.18548	0.3
68.68468	0.3
68.99786	6.6
69.92950	0.6
69.93334	0.5
71.08640	0.4
72.02851	0.3
72.08121	1.1
79.01859	2.2
81.66196	0.2
91.05428	0.3
91.72147	0.3
92.99750	0.6
95.04952	0.3
95.50163	0.3
103.05458	0.5
105.03342	0.3
107.01295	0.9
107.04949	2.3
113.01398	0.3
114.10224	0.5
115.05440	1.0
119.04910	1.2
120.04445	0.3
121.02852	6.1
130.06493	0.9
131.04933	4.5
132.03526	0.4
132.04445	6.4
134.03593	0.4
135.04378	1.4
142.06459	0.9
143.04904	1.9
144.04413	1.5
145.02847	4.5
154.06424	0.5
155.04921	0.6
156.04427	4.5
156.17458	0.4
157.02853	0.3
158.06003	9.0
159.04410	0.3
160.03883	1.0
162.05397	0.4
170.05998	11.1
171.04399	0.9
171.06389	0.5
172.03784	0.4
182.05998	1.8
184.03918	3.7
186.05490	10.0
187.05725	0.3
188.06969	0.3
198.05490	13.4
198.07326	0.7
199.03952	0.3
199.05763	0.6
210.05424	1.4
212.03406	1.8
214.05034	1.4
226.04970	10.5
227.05397	0.6
230.04460	2.4
234.03879	0.5
238.05023	1.0
240.02962	0.6
240.05054	0.5
242.04523	0.4
244.05812	0.5
254.04472	6.3
266.04401	0.9
272.05505	3.2
282.03946	47.2
283.04272	3.5
284.05484	1.3
300.04996	100.0
301.05362	5.8
324.36172	1.1
344.09052	0.7
356.21268	0.3
386.10184	30.4
386.39969	4.4
387.10703	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	386.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03698	0.7
53.03935	6.5
54.05412	0.4
59.40077	0.3
60.16606	0.3
60.20171	0.3
65.03926	0.8
68.99795	0.4
70.94529	0.3
81.03407	19.3
91.05473	0.5
93.73817	0.4
103.05483	0.6
105.06978	1.0
109.02922	0.5
121.02840	5.7
129.31024	0.3
131.04877	0.9
145.73470	0.3
147.04250	0.4
149.02321	4.4
151.03839	0.3
167.03380	20.1
175.03908	0.4
177.01784	13.6
178.02232	0.5
179.03365	0.5
179.08548	0.7
182.62218	0.3
195.02869	100.0
196.03217	3.2
197.09659	0.4
203.03426	2.1
204.02963	0.5
205.01294	58.4
206.01677	1.8
207.02895	0.6
207.08043	0.5
222.03954	2.1
223.02345	45.6
224.02684	1.1
225.09123	1.0
233.00780	28.0
234.01115	0.8
235.07687	0.4
237.03873	3.4
240.04990	1.8
250.03442	62.6
251.03792	2.7
253.08589	6.3
255.04967	6.4
263.06921	0.4
265.03406	31.3
266.03748	1.6
268.04495	2.2
281.08041	14.0
282.08524	0.6
308.09241	0.4
309.07532	20.7
310.07962	1.7
326.10190	50.0
327.10443	3.4
337.07101	0.6
341.10156	8.1
341.14093	0.6
342.10544	0.6
354.09702	0.6
369.09671	6.9
370.09952	0.5
386.12192	0.5
386.16315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.5
60.61518	0.8
62.13731	0.9
63.53835	0.8
69.81924	2.7
72.08139	0.9
81.03412	17.7
81.61922	0.7
85.43130	0.7
91.05482	1.1
103.05503	2.5
105.07030	1.4
114.10278	0.9
116.48591	0.8
121.02859	6.5
131.04906	7.5
137.06062	1.1
145.82628	0.7
149.02356	5.8
167.03392	21.0
169.46774	0.9
177.01796	17.0
187.62585	0.8
195.02884	100.0
196.03267	3.4
203.03419	2.0
205.01314	55.2
206.01749	2.3
214.39165	0.9
221.00514	0.9
221.04501	4.4
222.04025	2.3
223.02362	43.5
224.02788	3.1
225.09181	1.2
229.35173	0.8
233.00789	26.9
234.01151	1.4
237.03969	2.9
240.05092	1.9
249.03882	1.0
250.03461	67.8
251.03764	2.0
253.08536	5.9
255.05014	7.8
265.03427	30.6
266.03912	1.7
268.04559	2.5
281.08105	14.3
309.07562	22.7
310.07932	1.8
326.10199	52.9
327.10544	2.9
341.10141	9.6
354.09561	1.2
369.09665	6.3
370.10220	1.0
386.12247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.8
54.50332	0.7
57.86365	0.6
81.03411	17.7
98.23531	1.2
103.05456	1.7
105.07038	1.3
108.31687	0.6
110.06056	0.8
114.10270	0.7
115.08720	1.0
121.02868	5.4
131.04915	4.0
137.05957	1.1
147.04437	1.3
149.02316	4.4
150.01894	0.7
151.03900	1.1
163.46451	0.6
165.01894	1.0
167.03394	19.5
173.44905	0.6
177.01793	12.5
179.08556	1.0
195.02879	100.0
196.03191	3.5
197.09500	0.8
203.03331	2.1
204.02831	0.9
205.01314	61.9
206.01616	1.8
209.12346	0.7
222.03914	2.6
223.02365	48.5
224.02719	2.1
225.09023	1.4
232.02409	1.2
233.00787	29.9
234.01126	1.8
237.03926	4.2
240.04985	2.0
250.03452	67.5
251.03830	3.7
253.08571	8.3
255.04967	7.9
264.05185	0.7
265.03409	32.7
266.03720	1.7
268.04474	2.6
281.08060	15.0
309.07553	25.0
309.10193	0.6
310.07977	1.6
326.10199	47.9
327.10513	3.8
341.10172	8.8
342.10321	1.0
369.09659	6.3
384.81592	0.7
386.16013	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	386.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
65.03945	1.5
67.05490	7.2
68.80266	0.9
68.99792	1.3
69.38257	0.9
69.44224	3.9
69.96395	0.9
81.03404	18.8
81.03839	1.6
82.02872	1.1
83.04990	1.2
91.05464	2.2
94.06558	2.8
95.04945	5.6
103.05459	6.5
105.07051	2.0
105.65697	1.0
111.49934	0.9
112.07594	1.2
121.02027	1.3
121.02856	4.6
122.06055	6.3
126.09152	1.2
127.07533	2.1
131.04916	26.4
136.07535	6.2
138.01845	3.9
138.09160	2.3
149.02313	5.2
152.03403	2.2
152.07002	1.1
154.08607	54.3
155.08948	1.6
156.02917	3.9
164.07074	3.6
167.03392	19.8
168.10197	0.9
172.09671	3.5
177.01778	15.0
178.08646	3.1
180.06517	2.3
195.02870	100.0
196.03209	3.6
203.03432	1.9
204.06499	5.0
205.01294	61.6
206.01671	2.5
206.08035	2.7
215.86098	1.0
222.04004	3.0
222.07587	15.1
223.02339	49.8
224.02585	1.4
232.06213	1.2
233.00775	26.3
237.04001	3.2
238.10655	1.2
240.05194	1.3
240.08598	6.9
250.03435	68.0
250.07071	3.6
251.03818	1.9
253.08582	7.3
255.04965	7.7
256.11737	14.2
264.08640	6.2
265.03394	34.2
268.04483	3.1
268.08072	5.6
281.08029	14.1
282.09756	17.7
300.10895	2.2
309.07529	23.9
309.10809	2.0
311.04593	1.0
315.59161	1.3
326.10178	58.3
327.10583	4.2
341.10052	8.2
368.14804	1.0
369.09708	7.1
386.15952	79.7
387.16364	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	386.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
65.03941	1.2
68.99798	2.5
69.03403	1.0
70.06592	6.5
77.03929	1.0
79.05478	1.4
81.03413	1.8
81.07079	1.1
82.02927	1.5
83.07372	1.3
84.08138	1.7
86.06074	1.1
91.05481	2.8
95.04974	1.5
96.08147	1.2
100.03923	0.9
103.05457	35.8
104.05827	1.1
105.03407	1.1
105.07013	1.5
106.06567	1.1
107.04963	1.0
108.08102	3.1
109.02874	1.9
110.06027	14.0
110.06729	1.2
114.05534	3.2
116.07097	3.5
120.04455	1.3
121.02840	0.9
121.06512	1.7
122.06028	3.1
124.07578	1.7
131.04913	100.0
132.05258	2.9
134.05992	1.2
136.03857	0.9
136.07587	4.5
137.05992	2.2
143.03313	4.3
146.06100	0.9
147.04312	1.4
150.05589	0.8
151.03906	1.8
152.07065	1.0
154.05074	1.1
159.30324	0.8
162.05524	6.6
164.07036	10.3
165.01872	0.9
166.05011	2.4
166.08687	1.1
167.03400	1.0
168.10202	2.0
170.08105	2.5
173.05974	3.1
176.07054	8.5
177.01871	0.8
178.08644	2.5
179.03491	1.0
179.08562	1.3
180.06560	3.0
181.06386	1.1
181.41391	0.9
182.08182	1.4
186.05562	1.5
188.07071	1.9
190.04938	4.2
191.03416	2.2
194.08119	2.7
195.02919	2.0
196.09711	1.6
204.03183	0.8
204.06526	15.3
205.01349	2.3
206.08156	3.3
208.06046	18.7
210.11263	2.5
217.03494	1.1
218.08060	2.1
220.06198	1.0
220.09656	2.4
222.03978	1.0
222.07541	7.1
223.08073	0.9
232.06004	7.3
236.09154	1.8
238.10753	2.6
240.08672	1.8
244.42717	1.1
250.07013	2.2
251.01802	1.1
263.07013	1.1
264.08685	11.7
265.08826	1.4
266.11703	2.5
281.08130	1.4
282.06076	0.9
282.09866	2.5
282.13220	1.4
290.11768	2.2
294.11264	8.6
303.08698	1.1
307.09366	1.2
308.12790	4.7
318.11237	1.1
323.08987	1.9
326.13928	4.3
336.12222	8.2
350.13834	2.9
368.10269	1.9
368.14886	38.3
369.15149	4.0
386.12082	1.4
386.15982	15.6
386.19720	0.9
387.16370	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1598
Annotation	6-hydroxy-allocryptopine
Peak:m/z	Relative Intensity
55.01857	1.2
57.28622	0.5
57.63535	0.5
67.05157	0.8
67.05499	8.9
68.99771	1.1
70.67995	1.2
83.04951	1.6
84.04508	0.7
85.06516	0.7
91.05461	0.7
94.06546	1.7
95.04960	7.3
95.39088	0.6
96.96613	0.6
103.05463	6.6
106.06544	0.7
108.08080	0.8
112.03968	0.7
112.07558	1.3
120.08085	0.9
120.74548	0.5
122.06035	6.8
124.07573	0.6
126.09103	1.1
127.07574	3.2
131.04912	23.7
132.05255	0.7
136.07564	9.1
138.01849	3.5
138.09135	2.4
140.03421	0.9
150.01904	0.9
152.03409	3.2
152.07086	1.6
154.08620	75.3
155.08945	2.4
156.02873	3.1
162.05431	1.1
164.07040	3.8
165.07817	1.2
166.08699	0.6
168.10187	1.0
172.09669	5.9
174.88329	0.5
178.08650	4.2
180.06540	1.7
194.08160	1.5
196.09677	1.1
204.06554	5.0
206.08144	4.6
212.09204	1.0
222.07614	17.0
223.07957	0.6
232.06010	2.7
238.10759	2.1
240.08682	7.6
241.04993	0.8
250.07104	7.7
253.72069	0.6
256.11780	13.7
264.08630	7.9
268.08136	8.8
282.09711	23.3
283.10010	1.0
300.10760	3.2
368.15039	0.9
386.15952	100.0
387.16287	9.2
408.48233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	0.7
59.66212	0.6
59.85411	0.7
67.72729	0.6
68.99756	0.8
70.02937	1.2
71.33397	0.9
80.13757	0.8
83.03711	1.7
84.08155	0.8
98.02422	0.7
103.05470	1.1
111.03182	5.5
114.10250	0.8
114.96561	0.7
126.01858	1.5
131.04918	2.9
138.01843	15.3
139.02599	2.1
154.08626	4.6
156.02827	1.1
166.01344	24.7
167.02127	56.8
168.02844	2.3
180.02876	1.2
184.02403	4.7
185.03177	32.3
186.03760	1.0
222.07581	29.5
223.07877	1.5
225.05505	2.3
228.06366	0.8
240.04947	1.3
240.08727	2.9
242.08139	3.9
256.11761	1.5
268.08249	1.0
270.07703	4.3
271.08374	32.7
272.08810	2.5
282.09750	1.2
326.13834	100.0
327.14139	8.3
354.13007	0.8
386.15918	20.4
387.15985	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	386.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
58.54239	0.2
65.03938	1.8
65.82358	0.3
67.05501	0.5
68.99782	3.1
70.06236	0.5
70.06590	6.6
73.80760	0.3
78.93962	0.3
79.05482	0.6
81.07054	0.7
85.06473	0.2
85.91642	0.2
87.04456	1.1
91.05468	1.1
93.03390	0.2
93.07046	0.7
95.04957	1.0
97.06545	0.3
102.05511	0.4
103.05475	0.4
105.07029	0.8
106.29452	0.2
107.08566	0.4
109.06479	0.2
111.04388	1.3
116.07078	0.3
117.06999	0.6
119.04902	0.4
119.08572	1.5
121.02855	100.0
122.03173	2.5
128.06250	0.4
130.08629	2.8
131.04904	0.4
131.08545	0.4
133.10136	0.3
134.09636	0.3
137.05943	1.6
138.09155	0.3
143.08516	0.5
145.06491	0.3
145.10109	0.7
147.04353	0.3
148.04684	0.3
148.99739	7.6
151.03940	0.3
155.08536	0.3
156.10283	0.4
156.13835	0.3
163.03889	6.7
164.04228	0.6
176.99226	10.8
181.04933	0.6
191.06999	0.4
204.98688	1.8
222.04668	0.4
231.06348	0.3
239.06993	3.2
247.41171	0.3
248.06288	0.3
248.16492	0.5
252.08191	0.3
255.06630	0.7
255.10179	0.5
257.08054	12.1
258.08481	0.8
265.07080	0.5
266.07391	0.7
268.06192	0.3
273.11172	0.8
294.20642	1.0
309.11331	0.4
311.09122	0.5
327.12158	0.4
330.99469	3.4
333.11896	0.2
341.13809	1.1
355.11801	0.8
368.15289	0.3
368.25839	0.5
369.09375	0.3
369.13382	1.1
386.12604	0.6
386.16675	0.5
386.22534	0.3
386.26935	2.1
387.05978	2.3
387.10239	0.4
387.14420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1597
Annotation	6-hydroxy-allocryptopine
Peak:m/z	Relative Intensity
54.24802	0.5
55.01859	1.3
55.05499	1.1
56.57662	0.6
67.05500	4.0
68.99796	0.8
69.20805	2.9
70.06586	6.4
82.02894	0.8
82.06550	0.9
83.04978	1.7
84.04514	1.0
84.08134	3.0
85.06562	1.0
91.05479	1.9
93.07057	0.9
94.06567	1.0
95.04974	3.4
96.08132	0.8
98.09702	0.6
103.05449	7.7
105.07019	0.9
107.01310	0.6
107.04947	0.7
108.08094	1.2
110.06049	1.7
111.04439	0.6
112.03928	1.6
112.07607	1.8
113.06012	0.8
119.04922	0.7
122.05993	4.1
124.07575	2.1
126.09155	0.7
127.07585	1.6
127.26902	0.8
131.04921	22.6
133.06555	0.7
135.24164	0.6
136.07564	6.0
138.01886	2.2
138.09155	1.7
140.03427	0.8
148.07568	3.1
150.09155	1.8
152.03448	2.7
152.07033	4.6
152.10683	0.6
154.08621	34.7
155.08929	1.2
156.02885	3.0
159.95982	0.6
160.07611	1.9
161.06021	1.0
162.05499	1.1
164.07085	2.6
165.07857	0.7
166.08623	9.8
168.10165	1.0
172.09679	2.1
173.05916	1.0
176.07080	3.8
178.08644	2.6
180.06508	0.8
182.08128	1.1
194.08105	5.5
195.03143	0.7
196.09709	1.4
204.06534	6.7
206.08200	2.0
221.54051	0.6
222.07584	32.0
223.07962	1.9
232.05930	3.7
236.09175	1.7
238.10771	1.5
240.08606	6.7
250.07162	4.8
254.10356	1.3
256.11789	5.1
264.08694	4.3
268.08136	6.6
282.09702	25.6
283.10156	1.1
297.14188	0.7
297.97995	0.8
300.05234	1.1
300.10776	1.9
326.13751	4.1
336.12289	3.2
354.13434	1.0
368.14902	1.7
386.15942	100.0
387.16269	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	386.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	24.4
55.01865	5.5
57.03418	6.6
58.78179	1.8
61.02918	10.6
69.03426	74.6
70.08778	5.4
71.04977	6.2
73.02915	10.6
74.30004	1.9
80.05011	3.5
81.03413	85.2
85.02402	4.0
85.02898	60.4
95.08578	2.6
97.02885	42.1
97.28833	2.2
98.06063	4.9
98.22776	2.3
99.04448	20.6
103.03911	4.6
103.05450	3.8
105.07021	2.6
107.04945	2.1
108.04471	34.4
109.02872	79.4
115.03924	2.0
118.03815	2.3
119.08675	2.2
121.02839	6.1
126.05522	6.5
127.03910	82.7
131.04929	2.4
133.04967	3.8
137.05983	18.1
139.03900	3.0
145.04950	19.7
148.05171	2.5
148.99734	50.2
151.03902	6.4
157.24373	2.4
163.07529	3.6
169.04970	4.5
176.99226	71.1
181.04924	4.7
187.06012	100.0
188.06348	2.5
189.09038	3.6
191.07053	6.0
197.77196	2.3
204.08650	5.6
204.98715	14.5
205.07047	23.0
239.06941	3.3
255.10222	2.9
273.10913	3.0
330.99503	21.8
361.48520	2.2
365.35117	2.1
387.05579	13.7
387.14066	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	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.5
55.05527	2.4
57.03430	17.8
59.04956	1.8
61.02924	14.7
69.03426	31.3
70.06592	3.9
71.01348	5.4
71.04984	3.1
72.08154	2.2
73.02915	77.7
81.03411	6.9
85.02898	100.0
86.06062	4.7
87.04482	5.4
87.19448	1.5
91.03957	5.8
91.05526	2.7
91.80872	1.8
95.05006	1.7
97.02885	52.0
99.04468	4.4
100.07622	2.0
103.03912	3.8
103.05458	2.6
109.02876	12.1
115.03918	24.3
121.02874	1.8
121.06488	1.8
123.04562	1.7
127.03907	29.6
130.08626	1.9
133.04955	34.4
138.09151	5.1
145.04948	57.6
147.04362	3.8
150.07643	2.5
151.03918	7.7
152.07144	2.4
158.08235	1.4
163.06017	23.9
182.11794	2.7
187.03819	2.5
208.03079	1.8
212.22581	1.7
217.06920	2.3
223.05922	4.3
224.12769	1.7
237.13348	3.4
241.07059	4.9
254.17558	3.7
259.08072	9.2
266.06427	2.1
323.05597	2.5
351.04965	2.6
386.12720	4.0
387.12289	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	386.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.6
57.03446	6.0
57.07078	4.4
58.06592	6.0
59.05001	14.6
60.26756	3.7
66.11380	3.7
69.03427	16.3
70.06590	43.2
72.08157	17.6
81.03418	12.5
83.04964	5.9
83.08627	4.3
84.04511	5.7
84.08140	11.8
85.02911	29.3
86.09712	25.7
87.04461	12.0
89.06030	15.3
91.05520	4.3
95.05032	4.2
97.02892	14.1
99.04475	5.3
100.11259	20.6
105.07021	5.3
107.58652	3.6
109.02864	4.8
115.03911	7.6
116.07083	6.6
117.09103	6.6
119.01908	5.3
119.04960	5.8
120.08146	4.8
121.02882	6.8
124.03934	5.6
127.03910	10.9
129.10188	4.2
133.04990	7.6
135.06544	4.0
137.05913	4.7
139.07465	5.4
145.03432	3.8
145.04980	8.2
147.04387	9.8
150.07561	5.2
151.07590	9.2
161.30281	3.3
163.11198	12.5
183.14977	4.8
193.14249	9.8
207.13777	5.3
224.09624	8.3
226.39221	4.6
239.01724	4.3
241.01352	5.5
248.06323	6.6
265.07101	6.3
266.07224	10.7
308.05560	4.5
328.19537	10.6
343.01443	7.6
343.13660	28.0
385.31644	9.3
385.72668	4.1
386.00940	31.8
386.15103	15.1
386.31949	17.7
387.00327	100.0
387.12527	55.0
387.16605	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	386.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61689	0.5
69.62069	0.5
79.05476	0.4
87.04459	100.0
88.04787	1.6
89.06020	10.2
95.04980	0.3
95.08616	0.6
96.08926	0.6
105.06990	0.4
106.07380	0.4
108.05302	0.3
109.06544	0.4
119.04920	0.4
120.05304	0.4
121.06499	0.4
123.08040	1.8
124.08412	1.0
125.06004	0.3
131.07022	1.3
133.06497	0.4
133.08594	4.9
135.04373	0.4
137.02306	0.4
137.06004	0.4
147.04434	0.9
148.04739	1.1
151.07547	0.7
152.07935	0.3
177.11230	1.4
179.04881	0.3
191.06949	0.3
207.04362	0.4
219.06348	0.5
219.12296	1.2
220.06921	0.5
223.02330	1.4
223.06046	0.5
237.07506	0.8
238.07967	0.6
238.68198	0.3
247.05992	2.0
248.06303	3.3
249.06589	0.3
265.06958	1.8
266.07330	2.7
281.04443	0.9
296.13013	0.3
319.10678	0.3
323.05502	1.7
325.60428	0.3
351.04935	1.0
368.12149	0.7
369.05911	1.3
369.21143	2.4
370.21387	0.3
386.13046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05505	2.0
56.05029	1.2
57.03426	0.8
58.06591	2.8
61.73014	0.7
67.05511	3.1
67.37749	0.7
68.05019	1.0
68.99791	1.0
70.06589	20.0
70.65158	0.9
72.04513	7.0
72.08154	17.8
73.08495	1.0
77.03933	0.7
79.05487	2.9
80.05003	1.1
81.03403	1.5
81.07050	2.2
84.04491	1.0
84.08139	11.6
91.05470	2.8
93.07039	2.0
95.04960	1.7
95.07367	0.8
95.08590	2.0
96.08147	1.1
98.09679	2.0
98.22772	0.8
100.07613	96.9
101.07949	2.1
103.05462	16.7
105.03390	1.3
105.07031	1.5
107.04958	2.7
107.06062	7.3
107.08604	1.5
108.08135	4.4
109.02882	1.2
110.06053	0.7
110.09673	31.4
111.05576	1.4
117.07059	1.0
117.10255	1.5
121.02853	1.1
121.06519	2.3
121.10107	0.9
122.02367	0.9
122.09695	0.9
123.10419	1.0
124.11224	1.7
125.45596	0.6
126.09190	1.1
127.12336	2.3
128.10680	1.0
131.04924	43.3
132.05261	2.3
133.02818	1.0
134.04727	0.8
135.05522	6.0
136.11240	1.8
137.06021	1.0
141.06984	0.7
147.00717	0.7
147.04407	1.1
151.03905	2.5
154.04991	2.4
161.02310	1.4
165.05470	0.8
167.03442	1.2
169.01334	0.6
169.13364	0.7
170.01657	1.3
171.11264	2.4
171.14819	0.7
173.05948	1.0
176.03368	1.1
177.01820	1.7
177.06607	2.6
178.04961	0.9
179.03459	0.9
179.08379	1.0
181.01329	0.7
187.14407	12.9
188.03439	0.8
191.08493	0.7
195.02840	4.3
195.08122	0.9
203.04529	14.6
204.03014	1.2
205.01364	3.2
205.06178	0.8
206.01607	0.7
207.02975	0.8
214.17979	0.8
222.04012	2.1
223.02382	2.6
232.02303	1.0
233.00783	0.7
236.20122	1.8
238.07057	0.7
240.05022	1.9
250.03465	2.8
252.19669	1.0
254.21138	61.5
255.21486	3.1
263.06937	0.7
264.05026	1.8
264.10150	0.7
265.03427	1.7
270.24252	1.9
280.10120	1.2
282.05981	3.6
282.20569	6.2
291.06473	1.8
292.09576	1.0
300.06995	1.6
303.04620	4.6
304.05237	2.1
305.05109	2.1
306.05499	1.1
307.10641	4.2
308.09164	1.4
309.07516	1.7
319.06049	0.9
325.11792	1.9
326.10068	0.8
336.08655	1.3
344.29187	1.2
351.08875	1.0
355.87830	0.7
386.00830	1.2
386.12729	2.6
386.30063	100.0
387.08209	1.0
387.13205	0.8
387.30408	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	386.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
57.07073	8.7
58.06597	4.8
67.05485	0.9
69.07072	0.5
69.08777	1.3
69.09184	1.8
71.04996	0.6
71.08632	4.1
72.08149	18.9
79.05492	1.0
81.07059	1.6
85.06541	0.5
85.10175	0.9
87.04465	0.7
91.05478	0.7
93.07034	2.0
95.04967	0.8
95.08596	1.3
96.98632	0.4
98.22684	0.6
98.87164	0.4
105.07006	0.8
107.08598	0.9
109.06496	0.7
109.10168	0.7
117.07011	0.4
119.08560	1.1
123.08019	0.5
133.10196	0.4
137.06018	0.5
145.10118	1.2
151.07521	1.0
154.06218	1.4
156.17459	7.6
156.18620	0.6
159.08025	0.5
159.11606	0.4
167.07031	0.7
169.08556	0.5
170.19080	2.7
174.06851	0.5
181.08743	0.7
182.05792	0.6
183.06538	0.5
195.06479	0.9
197.08057	8.3
197.09653	0.7
212.23721	5.6
218.21204	0.5
226.25275	1.7
235.09596	1.5
237.11205	0.5
274.27390	1.0
278.16183	0.4
324.36218	25.7
325.36560	2.2
386.39886	100.0
387.13687	1.0
387.21228	0.9
387.40250	9.5
398.39487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	7.6
57.07056	12.0
59.05000	13.0
69.03421	14.6
69.30008	24.5
69.30418	21.8
70.06583	10.2
72.08133	15.7
73.44584	9.4
85.02924	15.2
86.09708	22.7
87.04470	51.4
89.06018	100.0
90.06344	12.8
95.04968	14.7
98.97603	9.3
101.09679	9.7
105.07018	21.5
107.04881	9.5
121.02845	18.3
127.27489	8.6
131.04886	14.7
133.08597	30.9
137.02391	11.5
137.05925	46.9
147.04431	13.3
151.09694	16.5
164.32245	8.9
167.07011	15.8
173.06033	9.5
181.04860	9.3
207.15955	55.6
208.16235	21.8
248.06300	14.4
249.06096	7.9
255.06561	14.3
281.09207	19.6
299.09305	11.8
309.08685	25.1
355.09137	22.5
357.13074	14.9
387.10703	27.9
387.15219	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	30.5
59.51643	5.8
69.96082	9.7
69.96434	16.1
76.55119	7.4
84.96009	13.2
86.09713	6.9
98.97575	100.0
110.97547	30.1
116.98611	24.9
121.02850	12.7
123.08099	7.0
128.98604	13.2
134.99683	8.4
137.02379	8.1
137.05965	28.9
140.98653	8.2
143.00247	15.2
152.98634	8.6
158.99657	17.3
177.00737	18.1
201.00574	8.8
219.01750	36.1
237.02782	37.4
239.06975	19.4
271.05884	8.1
300.10690	8.4
301.09558	62.1
319.10583	84.6
343.10706	8.5
361.11578	15.6
387.10278	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	387.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46449	3.8
55.01864	4.5
56.96573	9.9
57.03458	3.4
69.03427	13.4
69.66558	12.6
79.05478	4.5
81.03431	11.0
84.96026	6.4
85.02904	40.6
86.09731	4.5
87.00811	19.7
91.05459	7.6
97.02894	10.6
98.97578	41.6
99.04482	6.8
102.77631	4.3
103.05465	6.2
105.01886	22.9
105.07032	10.7
107.04974	8.3
109.02897	10.1
110.97595	11.6
116.98626	19.4
117.07009	3.9
119.04958	5.2
121.02879	6.4
121.06496	4.6
122.03658	6.0
123.04465	4.5
127.03927	24.9
128.98608	13.5
131.00119	4.2
131.04944	6.7
137.05974	100.0
143.04942	4.5
145.04967	14.8
145.06482	7.9
146.99591	5.8
147.03290	3.4
147.04436	16.8
158.99722	9.0
159.02879	7.3
167.07019	27.5
170.99661	8.0
177.00764	10.1
181.04984	18.3
185.67400	3.7
202.07684	4.7
203.07008	7.2
207.06485	7.4
208.02361	7.7
219.01819	13.5
219.08124	3.7
225.05229	3.6
231.04958	8.2
237.02829	24.7
239.06966	16.7
247.07712	6.2
277.08548	8.7
279.10016	5.4
301.09561	36.3
305.07983	6.6
307.09500	8.4
319.10574	50.8
337.10764	5.2
339.12225	7.0
343.10736	8.7
351.12396	5.2
355.11777	9.0
357.13226	16.3
361.11755	8.9
369.13470	13.4
387.10168	32.3
387.14594	24.6
388.14880	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	387.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68119	1.9
53.03944	8.3
55.12164	2.0
56.86421	1.9
62.10497	2.1
69.15228	6.3
69.15647	8.6
70.06591	5.9
81.03423	19.9
103.05460	4.2
107.48271	2.4
107.48997	2.1
117.91858	2.2
121.02870	7.3
131.04935	15.0
132.05273	2.9
137.05931	3.4
147.04437	2.6
149.02333	4.6
164.89690	2.3
167.03391	27.2
177.01834	8.6
177.03300	2.3
195.02885	100.0
196.03314	5.6
196.68594	2.3
205.01321	37.7
206.01653	6.0
223.02380	55.8
233.00792	4.3
237.03905	3.1
241.03427	5.2
251.01859	16.8
255.05034	18.3
265.00739	4.9
265.03445	61.2
266.03732	3.7
282.08026	2.3
307.05862	12.8
309.07587	5.2
324.12283	3.6
327.08649	9.6
328.08142	3.8
341.10159	19.7
369.09763	4.2
385.43973	2.2
387.16345	4.1
398.83902	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	387.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03706	1.5
53.03948	23.5
55.01877	1.5
65.03925	1.3
67.05512	0.9
68.99783	2.6
69.81146	1.8
70.06590	3.6
71.04984	1.5
73.03145	0.7
75.73294	0.7
76.98431	0.6
79.05502	2.0
80.07581	0.5
81.03419	58.8
82.03732	1.0
83.01328	0.9
83.04968	0.7
91.05489	2.0
95.04964	2.2
97.02877	1.0
98.23418	0.9
99.04462	1.0
100.07611	0.7
103.05464	31.5
105.03388	1.5
105.04475	0.8
105.07063	3.3
107.01325	5.1
107.04936	1.8
108.01643	1.9
109.02872	6.2
111.04436	1.2
113.05997	1.8
115.05480	0.9
116.07069	1.7
121.02863	2.6
121.06503	0.8
122.03654	0.8
123.04403	1.6
125.02350	2.0
127.03951	2.0
131.04927	100.0
132.05269	4.8
133.02884	1.2
135.00758	1.9
137.02325	2.6
137.05975	5.5
139.03900	1.9
141.05458	2.0
145.10089	0.8
147.00789	1.9
149.02354	5.3
151.03931	2.5
153.01839	2.8
154.08604	1.2
155.03436	0.9
155.04897	1.0
155.08957	0.7
157.06548	0.7
158.07281	1.0
165.01820	4.9
165.05434	1.1
167.03394	6.6
167.07057	3.8
167.08357	0.6
168.02896	1.0
169.01295	1.3
169.04916	3.1
173.05998	2.3
173.09637	1.4
177.01810	8.2
179.03435	2.9
179.08636	0.9
181.01349	2.6
181.04953	3.0
181.08659	4.2
183.04436	0.7
190.05072	0.8
191.03413	1.9
191.06999	1.5
191.08626	0.9
193.04956	1.4
195.02885	17.7
196.03244	1.6
197.04544	0.9
201.05801	0.6
201.09143	2.7
202.01276	0.6
205.01318	5.7
207.02827	1.6
209.02718	0.7
209.04295	3.5
213.05659	0.9
214.99808	0.8
221.00893	0.9
221.04439	1.2
222.01237	1.6
223.02493	7.5
223.07922	0.8
233.00777	2.2
233.11751	1.8
235.07570	1.2
237.03943	7.1
239.07167	0.9
241.03502	1.3
241.40126	0.7
245.08110	2.4
247.07602	0.7
249.00314	0.8
250.00519	0.9
251.01155	2.1
251.07086	1.0
255.04941	1.0
263.07062	1.3
265.03427	4.0
265.08502	0.9
271.08508	0.8
281.08145	5.4
283.04465	10.4
291.06595	1.0
301.05496	1.3
307.09692	1.0
309.07590	13.5
309.10828	0.6
327.08484	1.7
328.08453	0.8
337.07187	1.1
341.10162	3.8
355.07938	2.2
369.09741	4.2
369.14093	0.8
387.10577	4.2
387.15793	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	387.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.8
55.01886	0.8
57.46675	0.7
67.05503	2.3
68.99786	1.1
70.02931	0.8
70.06592	3.0
77.03935	0.8
79.05490	1.6
83.03705	0.9
91.05484	3.7
95.04958	3.2
99.00810	1.3
103.05461	12.9
104.05779	1.6
107.01301	0.8
107.04934	1.8
108.08057	1.0
110.02402	6.6
111.03191	2.9
116.07126	1.3
122.06002	1.4
123.06339	1.0
124.03945	1.4
131.04929	49.7
132.05281	5.8
136.07558	2.5
137.05968	1.7
137.08023	0.8
138.01816	1.0
139.02596	2.3
140.03410	3.3
152.03372	4.1
154.08635	15.9
155.08978	9.4
167.02144	37.7
167.06952	0.8
168.02925	18.1
172.09717	1.0
176.03441	1.4
178.01353	62.8
179.01663	2.5
180.02933	0.9
185.03172	13.9
192.02980	0.9
194.04498	1.4
196.02386	2.3
199.03798	0.9
206.00778	1.8
207.08395	0.9
220.02417	9.0
222.07574	2.4
223.07860	3.8
232.06068	0.8
238.03467	0.8
240.06468	2.1
240.08736	1.0
240.44617	0.8
241.04919	2.8
241.08867	1.0
250.07072	1.4
251.07484	1.2
256.11740	2.3
257.12097	3.4
264.06470	1.1
265.09030	1.3
269.08536	1.9
271.08408	26.4
272.09146	23.2
273.09482	1.2
282.07590	100.0
283.07498	4.5
283.10193	2.6
310.07089	12.5
324.08661	19.7
324.12466	1.5
325.08844	1.0
328.08157	51.4
329.08319	2.6
334.06833	1.1
341.11313	8.1
352.08240	1.3
369.10437	0.9
370.09207	2.0
387.11722	7.9
387.16208	33.3
388.16446	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1262
Annotation	Axitinib
Peak:m/z	Relative Intensity
70.06596	1.8
70.70597	1.5
72.08137	2.4
81.03409	1.1
86.09693	3.7
89.78812	0.9
93.33959	0.9
113.53985	0.8
136.97032	0.8
139.07295	2.9
147.04399	1.5
147.32318	1.0
151.03905	1.5
167.06877	1.0
185.16249	0.9
207.04297	4.8
225.10992	1.8
227.05260	1.2
271.03928	1.1
273.31055	0.9
301.12619	12.6
325.12698	1.1
329.81125	0.9
339.28027	0.9
343.13611	56.8
344.13947	2.8
387.12494	100.0
388.12762	6.3
392.41248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
56.08350	0.3
65.03940	3.0
67.05511	0.4
68.99783	1.4
75.88046	0.3
79.05477	0.7
79.07175	0.3
79.23447	0.3
81.07056	0.6
84.50227	0.3
91.05486	1.0
93.03391	0.7
93.07018	0.5
95.04961	2.8
95.08581	0.5
103.05466	0.7
105.03416	1.6
105.07033	0.3
107.04938	0.6
111.04430	3.0
117.07027	0.5
119.04922	1.0
119.08605	0.6
121.02862	100.0
121.03895	4.1
122.03119	1.9
129.06967	0.5
131.04936	1.0
135.08012	0.4
137.02382	0.4
137.05980	5.3
143.04970	0.3
145.06488	0.5
147.04376	0.4
147.08003	0.5
148.05190	0.4
149.05972	0.6
151.03912	1.3
155.03339	0.4
163.03902	4.2
163.07561	0.6
167.07060	1.3
173.05980	0.5
175.07515	0.7
177.05418	0.3
181.01172	0.3
181.04974	1.7
191.07016	2.1
203.06981	0.3
239.07007	1.3
247.07556	0.3
255.06502	5.4
257.08063	5.4
267.10266	1.6
269.08148	1.8
300.05948	0.6
301.06131	1.5
309.11166	1.5
327.12241	9.6
327.16150	0.5
328.12457	0.4
337.10767	1.6
341.13812	0.6
343.10742	0.8
355.11493	0.7
357.13287	0.8
369.13327	1.7
387.14200	8.6
387.27573	0.3
388.14597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Bafoudiosbulbin C
Peak:m/z	Relative Intensity
51.22444	0.2
58.55360	0.2
65.03941	3.4
66.58021	0.2
68.99790	1.6
70.21255	0.7
72.65148	0.2
75.73304	0.3
79.15502	0.3
80.33273	0.2
91.05495	0.5
93.03426	0.3
93.07008	0.3
95.04966	0.9
105.03391	0.9
105.07002	0.4
111.04435	3.3
115.05422	0.3
117.07018	0.5
119.04955	0.4
119.08589	0.9
121.02865	100.0
121.03878	3.9
122.03194	2.2
131.04866	0.3
131.08511	0.3
137.05991	0.3
163.03893	2.3
173.05994	0.3
191.07039	1.3
201.05363	0.3
219.43604	0.2
239.07071	0.8
241.08586	0.3
255.06519	1.1
257.08173	1.2
267.10156	5.7
268.10461	0.5
269.08109	1.2
299.05411	0.9
309.11172	0.7
327.12274	7.3
327.16116	0.4
328.12683	0.6
337.10498	0.5
355.11755	20.2
356.11856	1.3
369.13196	0.5
378.90826	0.2
387.14285	4.6
389.83661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Kwakhurin hydrate
Peak:m/z	Relative Intensity
55.01867	1.0
65.03929	0.8
67.01867	12.3
68.99810	1.3
70.67117	0.9
71.04984	2.8
79.05507	1.0
83.29630	0.8
91.05490	1.0
95.04945	1.8
105.07014	2.3
111.00802	3.3
115.05473	1.0
117.06998	1.6
119.04965	6.0
121.02861	34.0
122.03149	0.9
131.04898	2.9
133.06439	1.0
135.04440	1.7
145.02821	5.8
145.06470	3.0
149.02379	1.4
159.04411	1.8
163.03905	8.8
173.06032	3.5
175.07599	1.0
181.04880	1.4
187.03891	4.8
191.07025	2.6
199.07585	1.4
199.27647	0.9
201.05447	4.8
211.03912	1.2
217.08611	6.1
219.06532	5.1
229.04950	26.1
237.62862	0.8
239.07011	42.6
240.07372	2.0
241.04912	1.5
245.08104	1.0
247.05966	11.0
252.08015	1.2
255.06459	2.4
265.08334	1.2
266.09564	1.1
267.06497	7.2
267.10092	1.3
268.07141	1.0
271.09723	3.5
276.07773	7.6
279.06406	1.3
281.08383	1.5
281.11639	10.3
283.09628	2.0
291.10150	15.8
292.10422	1.2
295.09631	1.1
309.07761	1.6
309.11154	12.3
319.09583	9.7
327.12408	6.3
337.10699	18.5
341.13849	9.8
351.12369	3.7
355.11792	4.4
356.14484	0.9
369.13318	100.0
370.13547	5.3
387.14154	2.1
403.01791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.02367	1.1
53.03942	1.2
55.01859	1.6
61.01132	0.9
65.03923	3.1
67.01554	1.3
67.01862	11.6
67.05503	2.4
68.99774	3.5
69.64874	0.9
69.80249	3.2
71.04976	2.7
75.76591	0.9
77.03943	1.0
79.05457	3.2
81.03427	1.1
81.07033	2.5
82.38683	0.9
83.01298	1.0
85.02919	1.3
90.04771	1.1
91.05448	4.5
93.03429	1.6
94.04189	3.0
95.04948	5.6
95.08598	1.6
97.06509	1.1
98.23399	1.6
103.05476	7.9
105.07026	4.1
107.04935	3.5
107.08585	1.5
107.43210	0.9
109.06497	1.6
110.03549	1.1
111.00806	2.6
111.04447	1.3
111.09666	1.1
115.05444	2.6
117.07006	3.8
118.04156	2.0
119.04947	7.6
121.02856	42.6
121.03799	2.0
121.06477	1.3
122.03648	8.7
123.04446	1.6
123.08061	2.6
125.05983	1.9
131.04912	12.0
131.08611	0.9
133.06477	2.2
135.04431	2.0
135.08008	1.5
137.05962	100.0
138.06325	2.1
143.04892	3.4
145.02835	9.9
145.06458	6.7
146.03648	1.1
147.04407	3.0
147.08037	1.6
148.05186	4.5
149.02312	1.4
149.05978	1.8
151.03915	18.0
151.05029	2.2
151.07478	1.2
153.05435	2.0
155.06065	1.4
157.06531	1.2
159.04385	2.2
161.05962	2.5
163.03896	10.5
163.07585	7.1
165.05518	1.4
167.03429	1.3
167.07027	10.3
168.32129	0.9
173.05942	8.2
175.07495	2.7
177.05360	1.1
179.07048	1.1
181.04942	23.2
185.06030	1.5
185.20268	1.0
187.03842	4.3
191.07007	23.3
191.08664	1.6
199.07491	1.7
199.96352	1.1
201.05440	4.7
203.06987	3.4
205.04980	1.4
205.08501	2.9
209.08069	1.5
214.98595	1.5
217.08574	3.6
219.06505	5.2
227.07018	1.5
229.04953	25.2
230.05408	1.4
233.08127	2.0
235.09680	2.5
237.07465	1.2
239.07001	52.5
240.07327	3.4
241.04887	2.1
242.98076	3.9
245.08110	1.2
247.05940	10.1
251.06993	1.5
252.07857	2.9
253.08511	1.8
254.05583	2.2
255.06525	16.4
257.04456	1.7
257.08087	2.2
263.06995	1.0
265.06747	1.5
266.09323	1.6
267.06519	8.1
267.10190	3.6
268.07339	2.8
269.08194	1.9
276.07764	8.4
277.08212	1.6
279.06497	2.3
279.10104	2.5
281.08517	2.2
281.11646	11.9
283.09616	7.5
291.07138	0.8
291.10117	16.9
292.10602	1.6
293.08240	1.5
295.09561	2.1
299.09143	1.3
307.09760	1.3
309.07556	2.4
309.11087	14.8
311.09180	9.8
312.09537	1.7
319.09515	8.2
327.12250	21.0
328.12698	1.6
337.10703	17.7
338.10794	1.1
341.13815	21.2
342.14227	1.1
351.12286	4.2
355.11768	15.8
357.13312	8.2
363.03946	2.5
369.13284	84.7
370.13446	6.3
381.04971	1.8
387.14340	35.8
387.19394	1.7
388.14679	2.1
388.21115	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	387.1435
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
51.38761	0.7
55.01869	0.8
61.02907	0.8
62.50343	0.8
66.88613	0.7
67.01524	0.8
67.01866	11.6
68.99773	2.2
69.03439	0.9
70.70325	0.9
70.75259	0.7
71.04983	2.5
85.02891	0.9
91.05478	1.1
93.03421	0.8
95.04946	1.2
105.07026	1.5
106.00384	0.7
111.00826	3.3
111.04407	1.0
117.06970	0.9
119.04939	6.1
121.02859	37.8
121.03764	1.8
123.08082	1.1
131.04915	2.3
133.06467	1.6
135.04416	2.1
137.05922	0.8
140.61272	0.9
145.02847	6.1
145.06491	4.0
149.02338	1.1
159.04378	2.0
161.05972	1.2
163.03903	8.2
165.06987	0.9
173.06007	4.4
187.03897	3.9
191.07021	3.4
199.07510	0.9
201.05417	5.6
202.06059	0.9
211.03889	1.7
217.08575	5.1
219.06454	4.8
229.04939	23.3
239.07005	42.6
240.07498	1.9
241.04892	1.8
245.08253	1.1
247.05974	9.1
247.59984	0.8
251.07227	0.9
252.07881	2.3
254.05872	0.8
255.06554	2.9
257.04385	2.1
265.08560	1.2
267.06500	9.9
267.09415	1.1
268.07275	1.6
269.08090	2.5
271.09573	3.2
275.94580	0.9
276.07803	6.9
277.08621	1.0
279.10330	1.6
281.08194	2.2
281.11725	9.6
283.06180	1.0
283.09705	2.4
291.10132	17.9
292.10251	0.8
293.08054	1.8
295.09467	1.6
309.07562	1.8
309.11127	14.7
310.11414	1.1
311.09061	5.0
319.09628	8.2
320.09628	0.8
327.12250	21.4
337.10684	18.6
338.10880	1.1
341.13715	5.5
351.12262	2.7
355.11740	13.7
356.12109	0.9
369.13303	100.0
370.13629	5.8
387.14362	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	387.1436
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
50.58856	0.8
54.86199	0.8
64.54335	0.7
65.03930	3.1
67.01862	7.0
68.99793	4.2
69.03433	0.7
69.96760	1.9
71.04981	0.9
79.05457	1.0
91.05476	1.6
91.53306	0.8
95.04965	1.6
98.22791	1.0
105.07034	1.5
107.04956	1.3
111.00770	1.5
111.04437	3.1
117.07026	1.9
119.04926	3.0
119.08607	1.2
121.02854	100.0
122.03176	1.0
125.22399	0.8
131.04912	1.8
135.04416	1.1
137.05908	1.4
145.02797	4.3
145.06439	2.3
147.08040	1.1
149.02298	1.7
149.05978	3.6
151.07553	1.2
159.04352	1.4
161.22905	0.7
163.03876	15.6
163.07527	1.3
169.06477	0.8
173.05917	4.5
177.05447	5.0
179.94965	0.7
187.03900	2.4
191.07050	2.7
193.08583	1.0
195.06526	1.5
201.05481	2.6
205.08595	3.3
217.08604	3.3
219.06531	4.3
229.04942	15.0
239.06990	31.2
239.28699	0.9
240.07449	2.4
241.04897	1.2
247.06001	4.6
251.09187	2.3
252.07858	1.6
253.08681	0.8
255.06618	4.2
267.06509	5.6
267.10074	2.6
271.09656	2.0
276.07782	4.8
279.10089	1.9
281.08743	1.4
281.11572	6.5
283.09564	3.4
291.10126	13.8
293.07990	1.1
295.09518	2.0
309.07697	1.4
309.11111	11.0
311.09164	1.8
313.10611	4.7
319.09579	5.8
327.12238	24.2
328.12653	1.1
337.10687	10.3
341.13739	7.2
342.14044	0.9
351.12488	1.3
355.07672	1.3
355.11737	17.0
356.12103	1.4
365.63025	0.9
369.13284	64.3
370.13559	3.9
387.14459	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	387.1435
Annotation	Annulin B
Peak:m/z	Relative Intensity
52.67612	0.7
55.01856	2.8
62.41805	0.6
62.96214	0.6
65.03936	0.9
66.99673	0.6
67.01866	4.0
67.05494	1.8
68.99795	1.6
69.07074	0.8
69.89690	1.5
71.04987	9.2
79.05515	1.1
81.07061	1.1
89.94041	0.7
91.05462	2.2
93.07044	1.2
95.04945	1.5
95.08604	3.5
96.18063	0.6
97.06530	1.4
98.22794	0.8
107.04939	1.0
107.08567	0.8
111.04429	1.6
113.09647	3.5
117.07025	0.9
119.04955	1.6
119.08598	1.8
121.02859	43.4
121.06484	1.1
122.03175	1.4
123.08044	1.2
133.10173	0.6
135.08069	1.1
139.03951	1.1
145.02823	2.8
145.06512	1.6
147.04408	0.9
147.08041	0.9
149.02356	0.7
149.05995	1.1
163.03908	6.1
163.07491	4.4
166.02609	0.9
173.06007	1.0
181.08607	1.6
187.03912	1.2
188.18217	0.6
191.07051	2.2
203.07028	2.4
209.08070	3.2
211.07571	0.8
215.06999	0.8
215.89162	0.7
227.06950	1.4
229.05014	1.4
229.08585	1.9
239.07021	10.7
247.05963	8.5
252.07784	10.5
253.08470	1.8
255.06546	2.4
257.04623	0.8
257.08109	1.1
265.04904	2.2
267.06506	2.3
267.10019	1.5
279.10043	1.2
280.07358	0.8
281.11694	36.2
282.12015	2.0
283.13263	4.2
284.06738	5.7
285.07220	0.8
291.10065	1.4
299.12781	13.2
309.11185	16.7
310.11526	0.8
327.12238	100.0
328.12552	6.3
341.13773	6.7
355.11664	5.6
369.13278	1.5
387.14343	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	387.1439
Annotation	Annulin B
Peak:m/z	Relative Intensity
53.03936	3.3
55.01873	23.9
68.84290	2.7
70.56841	6.1
78.04707	6.8
79.05488	17.5
81.07071	5.2
82.24783	2.8
85.02888	8.6
90.91425	2.8
91.05483	10.4
95.04962	14.0
95.70946	3.2
100.43873	2.8
103.05477	13.2
105.03390	3.4
105.04506	4.6
105.07030	10.0
107.04944	27.8
115.05466	11.4
117.07048	3.9
118.04207	4.0
119.04998	3.7
121.02875	5.0
121.06454	6.1
122.03689	3.4
123.04429	17.3
123.08065	3.7
124.05183	11.1
130.04204	4.2
131.04895	23.5
132.05696	5.3
134.03642	6.8
137.05969	32.5
143.04897	3.9
144.05760	4.1
145.06506	5.4
147.04431	10.8
149.05995	4.5
151.03922	6.5
152.04683	7.0
153.05486	3.7
155.04927	9.4
158.57733	2.8
159.07967	3.8
160.05180	5.2
161.05977	5.7
165.06967	4.7
167.07030	96.0
172.05247	4.7
173.05943	5.2
175.07565	10.2
176.04677	3.1
177.05487	15.0
178.07806	10.6
181.04953	7.3
183.04488	5.2
185.05904	3.4
187.07532	8.9
189.06992	12.9
190.07816	7.7
191.07033	28.4
191.08612	7.1
192.07771	5.5
194.07330	5.4
195.06505	31.8
195.08084	5.0
200.04669	4.7
202.07800	13.5
203.07013	20.0
203.08617	12.0
205.06519	13.0
206.07199	12.4
207.07988	4.6
215.06973	20.4
217.06526	4.6
218.07271	12.5
219.08104	17.7
220.08719	8.5
221.05940	6.9
221.09647	11.0
222.06754	5.0
223.07536	6.9
231.08008	24.2
233.06003	11.3
234.06743	19.2
235.07532	9.0
236.08186	3.5
237.09209	8.0
239.07233	4.1
244.05222	7.0
245.05971	4.8
246.06810	9.0
247.07567	23.2
248.08247	15.9
249.05453	4.7
249.09116	16.3
250.06242	5.7
251.07077	10.4
252.07533	3.7
253.08640	3.7
258.06653	4.7
259.07547	18.6
260.08163	4.4
261.05435	12.0
261.09113	5.2
262.06293	9.4
263.07007	12.0
263.10477	6.1
264.07800	11.8
265.08652	14.3
266.09332	3.9
272.04614	5.5
275.07004	15.8
276.07785	25.2
277.08603	23.5
278.09296	11.2
279.06613	8.6
279.10150	23.3
287.06848	18.9
288.07800	8.2
289.08585	5.0
290.05981	4.3
290.09378	4.6
291.06995	5.5
291.10025	28.1
292.07260	5.9
293.07980	13.2
294.08807	7.4
295.09714	6.8
304.07278	12.0
305.08029	64.3
305.11215	5.5
306.08682	10.5
307.09604	23.9
309.07803	4.5
309.11206	12.1
319.09616	50.6
320.10046	4.0
321.07538	7.0
322.08408	6.7
323.09174	8.0
324.09839	6.7
325.10684	7.2
336.09872	4.3
337.10660	100.0
338.11264	10.2
339.12238	30.5
351.12207	41.9
354.10965	4.5
357.13275	18.9
369.13248	22.9
387.14355	11.9
387.26913	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	387.1438
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01866	4.0
65.03941	2.6
69.03427	1.9
69.98222	4.9
70.06567	2.0
79.05499	4.1
81.07069	2.9
91.05490	14.6
93.06996	2.0
94.04174	3.6
94.70503	1.6
95.04965	3.5
95.85048	1.5
99.53568	1.9
101.40561	1.6
103.05466	4.3
105.07037	7.7
107.04951	3.8
108.44844	1.6
115.05470	7.5
115.06234	1.5
117.07001	8.0
118.01720	1.6
119.04933	17.7
120.63496	1.5
121.02869	3.8
121.06507	3.5
122.03643	7.7
123.04398	2.2
123.08086	3.3
131.04915	3.4
133.02892	1.9
135.08043	2.9
136.05219	2.9
137.05977	100.0
138.06313	3.8
139.01558	2.7
143.04987	4.6
145.06494	13.6
147.04411	27.6
148.05110	2.6
151.03918	14.5
151.07567	6.7
155.06006	4.1
161.05983	3.5
163.07521	3.5
165.05504	9.7
167.07024	27.2
173.06001	11.9
177.05518	3.1
179.07031	11.2
181.04965	13.4
189.05492	2.1
190.06291	2.4
191.07037	10.8
201.05498	2.0
203.07047	5.5
205.06683	2.4
205.08527	2.8
206.25421	1.7
207.06540	7.9
207.13925	1.7
209.08058	4.1
219.08133	2.0
233.08060	21.0
234.06676	2.2
237.09052	2.7
248.08453	1.9
249.06544	3.8
249.09048	4.3
252.99748	2.3
265.08627	2.4
267.07614	2.1
277.08554	5.9
279.89063	1.7
295.09720	2.8
305.08386	2.6
307.09695	7.3
309.11157	2.2
325.10675	1.9
337.10815	6.1
339.12314	4.0
341.13666	1.6
355.11850	5.2
357.13348	7.7
369.13141	7.6
387.14413	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.63913	1.2
52.90200	1.1
53.03946	1.2
55.01868	3.4
59.24903	1.1
59.60614	1.1
62.67128	1.1
65.03940	8.2
67.05499	3.2
69.03432	1.4
69.73836	5.0
76.10338	1.2
77.03933	2.3
79.05486	4.5
79.05886	1.2
81.03411	2.4
81.07093	1.3
85.02914	3.9
91.04988	1.2
91.05457	5.7
94.04175	3.7
95.04987	4.1
95.08631	1.2
97.06541	1.6
98.23484	1.7
103.05465	27.4
103.06113	2.0
105.03417	2.8
105.04552	1.4
105.07021	5.1
107.04958	7.5
108.02117	4.0
109.06516	1.7
110.03696	1.6
111.04457	2.0
115.05456	5.6
117.07020	4.7
118.04164	7.9
119.04961	2.2
121.02884	2.0
122.03659	9.5
123.04449	3.2
125.05995	3.3
127.03938	1.9
128.06227	1.5
130.04132	2.2
131.04930	29.1
132.05717	1.6
133.02855	3.0
133.06502	4.9
137.05974	100.0
138.03131	1.2
138.06303	2.5
141.05446	2.5
143.04927	3.4
145.06497	4.4
146.03650	1.8
147.04424	1.6
148.05179	16.1
148.06238	1.4
149.05980	1.6
151.03911	69.7
151.05019	9.0
152.04355	1.2
153.05473	4.4
155.06029	1.9
160.05258	1.4
161.05991	3.7
163.07541	24.4
165.05444	2.8
166.21103	1.2
167.07030	21.6
171.06491	3.0
173.06009	4.1
175.07565	5.6
176.04747	2.9
177.05464	1.9
179.07045	1.9
181.04955	72.0
182.05307	2.6
187.07574	1.5
189.09038	1.6
191.07027	92.3
192.07390	2.8
193.08514	2.1
195.06534	2.3
203.07062	3.5
204.07466	1.6
205.08653	2.1
209.08063	3.3
218.07309	1.3
219.08076	1.3
233.08049	3.4
234.06799	1.4
235.09589	2.4
237.09065	1.8
249.09048	2.1
263.09174	1.7
267.10229	2.4
274.36298	1.4
277.08664	2.0
280.07275	1.4
291.10263	1.4
295.09680	2.4
297.11017	1.5
305.07901	2.0
305.62964	1.2
309.11133	2.4
319.09500	1.6
325.10626	1.5
327.12329	1.9
337.10666	4.4
351.12540	5.6
355.11774	7.8
357.13287	9.8
369.13367	3.8
387.14352	34.2
388.14618	2.2
402.22260	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.5
53.03936	1.0
55.01875	1.1
56.16414	0.5
67.05496	0.7
68.05013	0.5
68.99774	0.6
69.13004	2.1
69.13407	1.1
70.06590	100.0
71.04996	0.6
71.06924	1.7
77.03897	0.6
78.38271	0.5
79.05499	1.0
81.03415	2.0
84.04503	0.6
91.05489	1.8
95.04969	1.8
103.05463	15.0
104.05790	1.5
105.03382	0.7
105.04515	0.7
107.04942	1.6
109.02879	1.7
112.03926	0.5
116.07088	67.3
120.08105	0.7
121.02853	0.6
123.04436	1.1
131.04927	41.2
132.05228	3.6
133.02866	0.7
135.04443	0.6
137.02335	1.0
137.05989	3.1
140.03406	1.1
145.06499	0.6
147.04387	1.0
151.03978	1.1
153.05435	0.5
155.04842	0.6
161.05881	0.8
163.03874	0.8
163.05772	0.6
165.01871	0.6
165.05443	0.7
165.07155	1.0
167.07060	3.5
167.08302	0.6
168.02911	7.3
173.05991	1.6
175.17947	0.5
177.01810	1.0
179.03348	0.7
181.01302	0.6
181.05057	0.5
187.07530	1.1
191.03394	1.6
191.06946	0.7
191.08578	0.7
195.02898	1.5
195.06509	0.8
196.03119	0.6
205.01382	0.9
205.06776	0.9
206.06953	0.5
207.08080	0.6
208.06017	1.1
209.06374	0.7
209.50668	0.5
214.99832	0.6
215.07007	1.2
219.08105	1.0
220.06027	3.3
221.06172	0.6
223.02299	1.2
223.07486	0.7
224.02785	0.5
231.07909	0.7
233.06071	0.7
235.07578	0.8
237.03815	0.8
238.09889	0.5
247.07532	0.6
248.08434	0.5
249.09082	0.7
259.07657	0.7
263.07034	0.7
264.07764	0.7
265.08817	1.1
272.09113	5.4
275.07196	0.7
275.84207	0.5
276.07629	0.6
277.08490	1.0
279.10056	0.6
281.08109	0.8
283.04382	1.3
283.10007	0.6
287.07010	0.8
292.07089	0.7
305.08057	2.0
307.09454	1.0
309.07553	1.4
319.09668	1.1
324.12296	3.3
337.10281	2.5
339.12253	0.7
351.12375	1.6
357.13107	0.9
369.09842	1.1
369.14508	4.9
370.14383	0.5
387.15671	3.3
388.13782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
55.01868	9.1
58.28524	8.8
64.28731	6.5
65.03927	7.3
67.05495	9.8
69.03439	39.1
69.07069	8.4
70.06590	15.6
70.26791	6.5
70.75685	11.7
71.04964	11.7
78.99448	7.3
79.05494	17.5
81.03421	19.9
81.07043	20.6
84.75916	6.8
85.02898	29.4
85.06551	11.4
86.06062	21.7
89.06038	15.1
91.05476	47.5
93.07059	45.6
95.04979	13.1
95.08593	10.1
96.04491	7.5
97.02901	19.4
97.06530	10.7
97.64520	7.0
99.04445	7.4
99.08051	8.1
103.05485	23.3
105.03358	8.9
105.07013	44.8
107.04942	15.7
107.08587	90.6
109.02853	9.1
109.03980	12.5
109.06512	24.2
109.10153	19.1
109.83134	7.4
111.04498	6.9
111.05478	8.6
117.07043	12.8
119.04942	47.4
119.08567	38.6
121.06503	37.9
121.10174	38.1
123.04417	7.2
123.08047	12.2
127.03867	8.7
131.04933	64.2
131.08565	18.1
133.10120	14.5
135.08063	8.6
137.05937	8.9
137.09633	59.5
147.04366	45.6
147.11684	41.7
149.09633	66.4
149.13263	21.9
151.03922	75.0
156.09340	12.1
159.11678	11.6
161.09546	16.4
161.13252	32.3
163.03911	8.3
165.12741	10.4
165.69736	7.7
167.07051	8.6
167.10669	100.0
168.02942	19.2
171.04362	7.3
171.11676	22.3
175.03836	47.2
177.12729	54.8
179.06958	12.1
186.01596	8.1
187.03882	9.0
189.12712	79.5
195.13763	7.9
200.01880	20.0
207.02888	37.7
207.06503	85.1
207.13773	77.2
225.14825	65.7
235.02393	12.7
251.07080	9.1
267.06467	8.2
290.62161	9.7
297.12317	13.6
304.08096	14.5
369.10834	23.1
370.09296	18.6
387.16208	15.6
388.09799	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	387.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88009	1.8
55.05498	5.2
57.07083	13.2
58.06599	9.6
59.04985	1.7
67.05506	5.8
69.07066	2.9
71.04984	5.1
71.08624	8.6
72.08150	27.7
73.08464	2.6
75.53156	2.2
79.05479	7.2
81.07054	10.4
82.56003	1.9
85.06532	4.0
91.05466	13.1
93.07032	17.3
95.04961	7.4
95.08605	16.6
97.06533	3.0
99.04485	2.3
105.07035	10.4
107.08601	8.9
107.17237	1.9
109.06512	8.9
109.10188	3.9
111.04434	4.7
111.08121	4.0
115.05494	2.6
117.07010	4.8
119.08579	13.4
121.06518	5.5
121.10123	5.0
121.74608	1.9
123.08067	3.9
125.09636	2.0
128.06204	3.2
129.07010	2.8
131.08549	3.0
133.10124	6.7
135.08057	3.5
136.05081	3.0
137.05971	6.0
137.09619	3.1
142.07811	3.1
143.08554	2.7
145.06487	4.4
145.10123	15.5
147.08124	2.2
147.11655	2.8
151.07555	10.6
152.04745	2.9
153.06966	2.8
154.06230	13.0
155.08591	2.4
156.17485	9.0
157.10173	4.3
157.17767	2.7
159.08023	2.3
159.11690	3.1
165.05421	1.9
167.07079	6.6
169.08600	7.9
170.19112	5.9
173.05856	3.1
174.06767	5.0
178.75397	2.1
181.08586	5.8
182.05771	10.0
183.06560	2.7
185.13290	3.0
187.07451	2.2
191.07149	2.3
195.06496	5.0
195.10197	7.2
197.08070	100.0
198.08467	3.6
203.07091	2.2
205.08652	5.1
209.08080	2.0
212.23772	6.2
213.24126	2.2
217.08630	2.2
221.08188	5.2
226.25319	3.7
231.10056	4.1
233.11778	3.7
235.09590	12.2
237.11287	10.5
239.10741	4.7
243.09067	2.1
261.11270	3.5
271.13260	3.4
275.12891	4.2
285.14917	3.7
303.15881	11.2
324.36188	23.6
325.36545	19.5
329.17484	3.5
366.73456	2.5
386.39923	97.3
387.13611	6.1
387.21686	7.5
387.40234	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2713
Annotation	Arg Val Leu
Peak:m/z	Relative Intensity
52.09755	1.0
60.05647	9.7
70.06586	100.0
70.34674	2.1
71.04983	8.6
72.08147	15.0
84.04510	2.2
84.08145	2.0
85.07693	1.0
86.09702	7.1
88.07634	4.2
97.07688	1.4
98.06049	3.8
98.22825	1.3
103.98598	0.9
112.08720	23.3
113.07119	1.1
115.08686	4.2
116.07063	1.4
116.36340	0.9
121.02808	1.6
124.11235	2.3
127.08707	1.6
129.10231	1.5
130.15308	0.9
134.45180	1.0
138.05507	4.6
138.09097	0.9
140.08217	5.8
147.11234	1.4
154.04999	3.2
155.08070	1.7
157.10831	4.9
167.07120	1.2
168.14876	1.3
169.13332	9.2
175.11896	4.3
194.12762	1.6
196.14496	1.9
197.12823	1.8
197.64613	1.2
211.15517	21.7
215.14128	0.9
225.17169	1.0
228.18221	2.7
231.16887	2.0
255.06435	4.9
256.17639	4.3
257.16055	5.3
259.07477	1.6
265.33664	1.1
268.16583	1.2
274.18732	12.8
283.06046	3.6
288.20319	1.3
370.24356	7.0
387.12250	3.0
387.16333	4.2
387.27097	97.8
388.27420	5.3
401.74533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01858	0.9
55.05509	9.2
56.96561	4.1
57.03428	1.2
57.07067	1.9
60.32917	0.6
65.03930	3.2
67.05497	12.6
69.03419	2.0
69.07064	6.8
69.23228	3.7
71.04977	0.7
75.04461	1.5
79.05486	8.4
81.03416	0.8
81.07050	28.1
83.04980	12.5
83.05447	1.3
83.08620	2.8
85.06532	1.4
87.04485	0.8
91.05474	7.6
93.07036	25.1
95.04961	100.0
95.08600	23.7
96.05280	1.6
97.06528	5.6
97.10165	3.1
99.04473	0.7
99.08035	0.9
100.21281	0.6
105.07022	12.6
107.04957	0.7
107.08582	14.5
109.06511	12.8
109.10152	15.5
111.08071	5.4
111.11739	1.1
117.07029	2.3
119.08563	12.5
121.06496	1.6
121.10123	14.0
123.08063	2.8
123.11713	6.6
125.06015	0.7
125.09600	1.5
127.95377	0.7
129.07007	1.0
129.20949	0.6
131.08585	4.9
133.10107	7.8
135.08061	1.8
135.11693	7.1
137.09618	1.5
137.13272	1.9
139.11163	0.8
141.07043	0.9
142.07764	0.7
143.08554	3.0
145.10107	8.5
147.11688	7.3
149.09592	1.1
149.13220	4.5
151.11182	1.4
151.14877	0.9
153.12744	1.1
154.93196	1.5
157.10095	3.1
159.11661	8.1
160.44206	0.7
161.09598	1.1
161.13271	4.5
163.11118	1.2
163.14833	3.0
165.12770	2.3
169.10156	1.5
171.08012	0.7
171.11697	2.6
172.94232	3.7
173.09697	0.9
173.13246	4.7
175.11203	1.8
175.14848	2.3
177.12776	1.1
177.16347	1.3
183.11737	0.9
185.13268	2.8
187.14835	2.6
189.12637	0.8
189.16370	3.1
190.95273	3.7
191.14268	0.9
197.13248	1.4
199.14847	2.1
201.16383	2.3
203.14319	1.0
203.17943	1.5
205.19553	1.0
207.17461	0.8
211.14799	1.5
213.16374	2.0
215.14334	0.8
215.17952	3.5
219.13680	0.7
223.14764	0.9
227.17937	1.1
229.19484	2.5
239.17955	1.2
241.19672	0.8
243.21086	1.9
261.22040	1.5
269.22501	1.0
279.23166	0.8
289.21695	2.2
293.22681	0.7
299.92502	0.7
301.21606	0.8
323.11871	0.8
329.24664	1.0
341.13013	3.2
341.28418	2.3
351.26807	1.8
364.14633	0.7
369.24030	1.5
369.27930	8.3
370.28149	0.9
387.24854	3.1
387.28943	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	388.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.4
53.03923	0.8
65.01945	0.3
65.03913	0.7
68.63692	0.3
68.99786	3.2
69.03407	0.7
69.11809	1.8
69.12217	0.7
71.93179	0.3
75.18520	0.3
77.03902	1.0
79.01836	0.7
79.05477	0.6
81.03410	0.4
81.06990	0.4
83.04980	0.8
87.04430	0.8
91.05476	38.0
92.05775	0.8
92.62225	0.4
95.04966	4.7
98.22602	0.7
103.05479	2.2
104.04969	0.7
105.03388	43.0
105.04391	2.0
105.07012	0.7
106.03696	0.6
107.04928	1.3
110.02386	1.1
111.04426	1.3
115.05441	1.7
116.05202	0.4
117.07003	0.5
118.06537	25.7
119.04953	2.7
119.06859	0.4
120.08125	0.4
122.02289	0.3
123.00775	0.4
127.05358	0.4
128.04967	0.5
129.03352	0.7
131.03995	0.4
131.04930	5.0
131.08554	0.6
138.01871	5.1
139.00259	0.6
139.05466	0.4
140.04929	1.4
142.06523	3.8
143.08525	0.5
144.04407	0.8
145.10081	0.5
146.06010	9.6
150.01784	0.4
153.01860	0.3
154.06483	2.2
156.02878	0.4
156.31436	0.4
158.05966	0.4
160.07596	1.0
165.90692	0.4
166.01366	3.7
168.04388	0.8
169.01292	0.5
170.06021	5.5
171.06332	0.4
173.13211	0.7
174.05487	2.2
178.01344	7.5
182.06015	3.4
182.07431	0.7
184.02390	0.7
185.09802	0.4
188.07042	1.3
196.03894	0.6
197.73915	0.4
198.05504	1.7
200.07011	0.7
200.46313	0.4
206.00851	3.4
210.05444	3.6
214.04962	3.5
216.06487	0.4
222.05431	0.4
225.05515	0.7
228.06609	0.4
232.05965	4.5
238.05008	4.9
242.04495	0.4
254.04413	1.1
256.06039	38.3
257.06381	1.8
260.05478	0.8
266.04462	17.5
267.04828	0.5
270.07614	0.6
274.07071	1.4
282.07632	0.5
284.05511	88.2
285.05853	4.4
318.11182	0.5
360.12231	6.3
370.10721	16.9
371.11160	0.9
380.79767	0.5
388.11761	100.0
389.12131	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	388.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03492	1.1
67.05505	1.6
68.05029	8.1
68.99799	1.6
70.02972	2.0
70.06568	0.8
79.05492	0.8
82.06592	2.0
83.03737	2.4
83.78505	0.7
91.05482	1.2
92.05023	2.0
94.02935	1.4
96.04501	2.4
98.02439	2.2
98.06095	0.8
98.06702	0.9
103.05487	3.7
105.07022	1.2
107.04932	1.3
110.06059	2.2
111.00803	1.4
111.03183	10.4
111.04492	1.1
114.05569	1.3
120.04420	0.8
121.02894	0.9
126.01929	3.3
128.07062	0.9
131.04927	14.0
131.05887	1.1
138.01915	1.0
138.05528	2.2
139.00243	4.1
139.02643	6.6
152.03477	1.7
156.06601	1.6
157.01411	1.0
163.03981	1.2
164.03416	15.5
166.01401	1.6
166.04980	1.0
167.02141	100.0
168.02522	2.3
173.05960	0.9
178.01350	4.7
178.04993	1.7
180.03029	1.1
181.05049	1.2
182.04510	2.8
185.03195	48.8
186.03552	1.2
188.03436	5.5
194.04489	42.5
195.04892	1.6
206.04492	38.8
207.04848	2.2
212.05568	1.5
224.01991	2.3
224.05530	1.9
225.05659	1.0
228.06598	2.9
229.07364	2.9
243.06703	0.8
256.06232	1.5
264.72845	0.8
270.07617	1.8
271.08389	73.5
272.08804	4.8
282.07632	8.7
284.05508	1.6
292.09720	1.7
298.10751	25.2
310.07364	2.7
310.10715	54.9
311.11136	3.2
311.35071	0.9
328.11771	54.7
329.12143	3.8
330.99323	1.0
338.10284	10.9
342.09778	2.2
356.11322	5.6
370.12958	1.6
388.13974	37.7
389.14249	2.4
401.06839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16552	1.1
51.72674	1.1
53.03929	5.3
55.01857	1.7
56.07984	1.3
57.03421	4.7
61.02925	1.8
62.82052	1.2
68.99778	1.5
69.03420	49.9
69.03800	2.6
69.87046	1.7
70.25714	1.1
71.01340	1.4
71.04993	8.3
73.02894	1.2
81.03407	29.4
83.01332	3.6
84.08138	1.8
85.02896	49.9
85.03416	2.9
87.00819	31.2
87.04461	5.8
97.02880	74.1
99.04441	26.9
101.02403	1.4
103.05486	1.3
105.01853	20.4
105.07040	8.5
109.02854	12.4
111.00797	1.9
115.03888	3.3
121.02812	1.3
127.03901	100.0
128.04266	3.4
137.02322	2.7
137.05960	2.5
145.04945	73.3
152.63857	1.3
171.02844	1.6
172.22462	1.4
213.03954	2.1
231.04964	55.0
232.05333	3.8
249.06023	23.4
255.06364	3.4
271.06018	1.6
371.11328	3.3
397.49017	1.3
400.87753	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
54.86005	0.3
55.01865	7.9
57.03430	7.5
59.04995	0.4
60.04504	0.3
61.02917	6.3
61.85651	0.4
68.99780	3.0
69.03422	34.6
69.06142	1.8
69.06550	0.7
71.01311	0.5
71.04990	3.7
73.02912	6.6
79.05480	0.4
81.03409	25.3
82.03757	0.6
83.01323	0.9
84.08141	0.6
85.02895	100.0
86.03235	1.6
86.06080	0.6
87.00820	41.0
87.04459	1.3
90.74860	0.3
91.03951	1.6
91.05462	0.4
95.04985	0.5
97.02884	28.3
97.24843	0.3
98.03268	0.5
98.06031	0.5
98.23434	0.9
99.00845	0.5
99.03794	0.8
99.04446	13.5
100.04787	0.5
101.02390	0.7
103.03927	0.8
103.05476	0.6
105.01856	62.6
105.07023	11.0
105.07740	0.7
106.02229	0.5
108.04488	2.9
109.02867	26.5
110.03119	0.4
115.03936	1.6
117.01853	2.8
117.07003	0.5
119.08563	0.4
121.02840	0.8
126.05522	1.8
127.03903	71.7
128.04202	1.9
129.01833	3.8
131.66013	0.4
133.06393	0.6
137.02328	2.3
137.05925	0.5
138.05461	0.4
145.04941	35.3
146.05389	0.7
147.02850	2.3
147.04379	1.1
147.08040	0.5
159.02864	16.9
160.03323	0.5
171.02826	0.5
177.03893	1.0
180.02901	0.8
189.03983	3.4
190.99669	0.6
192.06847	0.4
204.05977	0.4
209.00801	0.6
213.03943	3.1
213.09125	1.0
230.06529	0.8
231.04964	21.9
231.09984	1.1
232.05365	0.9
248.07555	1.7
249.06065	6.7
255.06456	1.8
257.08029	0.5
266.08981	0.5
271.06000	0.8
299.09058	0.5
335.11395	0.6
343.11783	4.3
371.11288	3.2
376.78378	0.4
388.15912	0.8
389.12265	1.0
393.53445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01866	1.1
57.03421	1.2
61.02908	0.6
66.11788	0.4
68.99789	0.9
69.03422	4.3
69.08781	1.0
69.09200	1.7
71.04980	0.7
73.02908	1.1
77.03925	0.7
79.05490	3.4
81.03418	3.9
85.02900	13.7
86.00308	0.4
87.00820	5.7
91.05483	0.6
95.04955	1.2
97.02893	4.4
98.95792	0.4
99.04431	1.9
101.02411	0.4
103.03974	0.5
103.05449	1.7
105.01855	6.1
105.07023	100.0
106.07363	4.0
108.04478	1.1
109.02865	4.8
115.03888	0.4
119.08587	2.7
121.02840	1.1
126.05495	0.7
127.01573	2.1
127.03911	8.7
129.01837	0.7
131.08578	0.7
137.02351	1.5
137.05957	0.7
143.03409	0.8
143.08569	1.4
145.04942	3.6
147.02916	0.8
147.04367	0.4
147.08038	2.2
159.02855	2.1
159.08063	1.4
167.08458	0.5
171.08090	1.0
185.09634	1.1
189.03954	1.1
189.09151	1.2
195.08061	1.0
200.10027	0.4
213.04068	0.7
213.09074	1.9
231.04936	2.1
231.10222	0.7
232.64090	0.4
248.07863	0.5
249.06084	0.5
255.06607	1.9
271.06107	0.6
299.09399	0.6
325.10352	0.4
343.11783	5.1
371.11139	3.1
389.12387	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	388.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.4
59.04997	4.4
67.05489	0.9
67.23025	0.3
69.03424	3.9
69.68987	1.3
70.06585	4.5
72.08142	0.4
73.02913	3.5
73.06552	4.1
84.08117	0.8
86.06046	0.6
86.09700	1.2
87.04459	100.0
88.04807	2.1
89.04896	0.4
89.06023	8.2
95.04971	2.8
97.06516	1.2
99.04420	0.3
103.03934	0.5
103.07567	0.5
113.05985	6.0
117.09114	2.0
118.06869	1.0
129.10243	0.5
130.06499	0.8
130.14368	0.3
131.07021	17.6
133.08598	2.7
137.02361	0.9
137.06010	0.5
139.07550	0.7
147.04427	0.6
157.08607	1.3
159.09177	0.5
164.07089	0.4
170.05998	0.3
175.09653	5.1
177.11272	1.0
201.11224	1.5
208.50108	0.4
219.12257	9.1
219.14226	0.6
221.13754	0.5
237.13371	0.4
245.13982	0.4
271.06006	0.4
289.16449	0.6
298.50507	0.3
307.17453	3.7
371.11307	1.0
389.07520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1956
Annotation	Henricine B
Peak:m/z	Relative Intensity
50.26143	1.2
50.60820	1.1
53.03943	4.1
55.01867	2.3
55.05512	23.1
60.64381	1.4
65.03938	2.9
67.05502	13.7
69.03427	75.6
69.07074	4.7
70.67030	2.1
70.67367	1.6
75.49351	1.4
79.05500	15.2
81.03419	36.8
81.07064	8.6
83.04980	58.8
91.05474	25.9
93.07038	12.5
95.04976	16.3
95.08607	8.3
97.02941	1.4
97.06517	2.5
103.05455	3.9
105.07027	29.8
107.04971	4.3
107.08583	11.5
109.06534	5.3
109.72008	1.3
111.04440	100.0
112.04806	1.9
113.06013	2.2
115.05457	6.0
116.06293	1.7
117.07008	25.2
119.08592	21.0
121.06509	5.9
121.10136	4.7
123.08073	3.0
128.06236	8.4
129.06989	13.9
129.07695	1.2
130.07814	4.8
131.04976	2.3
131.08563	49.7
133.06511	4.8
133.10098	8.0
135.08058	5.3
137.09589	1.6
140.42726	1.5
141.06963	8.4
142.07780	8.8
143.08556	19.4
144.09315	4.6
145.06491	4.8
145.10130	39.1
147.08051	5.9
147.11725	4.7
149.09636	3.5
149.13258	2.3
153.06996	5.3
154.07802	3.5
155.08531	17.3
156.09305	9.0
157.06570	2.0
157.10117	21.1
158.07207	2.3
158.10883	4.7
159.08067	5.6
159.11690	10.6
161.09639	5.3
161.13281	3.0
163.11176	3.3
165.07010	6.6
165.09102	3.6
166.07750	3.8
167.08553	9.5
168.09381	7.4
169.10141	5.3
171.08041	3.3
171.11658	14.6
173.09607	5.9
173.13252	68.7
174.13634	2.0
175.11247	4.8
177.12624	1.7
178.07735	2.9
179.08565	4.8
180.09373	2.5
181.10057	6.9
182.10863	3.1
183.08124	2.9
183.11723	15.9
185.09605	4.6
185.13240	3.6
187.11163	2.6
189.12764	7.6
191.08597	2.5
191.10696	5.4
191.14317	5.5
192.09378	1.6
193.10162	5.4
194.11008	2.4
195.08028	2.1
195.11688	7.8
197.09549	3.5
197.13243	5.7
199.11169	5.0
201.12750	19.6
205.10284	2.7
206.10960	4.0
207.11678	3.5
209.09625	2.2
209.13326	3.9
211.11198	3.1
213.12758	2.6
217.10234	1.5
217.12199	2.4
219.13774	15.5
221.13322	5.3
223.11154	2.7
225.12654	2.5
229.12349	2.7
232.12338	1.5
235.14749	2.7
237.16397	1.9
239.14473	1.6
241.12231	2.7
242.91251	1.6
247.12981	2.0
247.15228	2.4
265.15851	6.0
276.33057	1.5
283.17090	2.3
293.15469	2.4
311.16373	8.1
329.17490	5.8
347.18481	5.8
389.19577	23.8
390.19931	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	389.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.8
53.03942	3.7
55.01862	2.4
55.05259	1.5
55.05510	21.0
57.03426	1.7
57.07061	1.4
58.53741	1.0
65.03937	3.1
67.05504	14.2
69.03425	72.7
69.07064	4.6
69.75537	1.6
71.04976	1.2
75.82163	0.7
79.05483	11.2
81.03415	32.7
81.07052	11.3
82.23489	1.0
83.04976	60.4
83.08601	1.0
85.06531	1.0
91.05473	25.8
93.07038	15.8
95.04958	12.7
95.08600	7.5
97.06517	2.3
98.23380	2.1
103.05459	2.6
105.03390	0.9
105.07024	28.8
107.04948	4.9
107.08584	10.0
109.02861	1.5
109.06512	8.8
109.10139	1.7
111.04435	100.0
112.04771	1.9
113.05965	2.2
115.05428	4.7
116.06245	2.1
117.07008	21.0
119.04928	2.4
119.07748	1.3
119.08575	23.4
121.06482	5.4
121.10131	3.7
123.04417	1.0
123.08054	4.0
123.11771	1.4
125.05881	0.8
128.06226	7.5
129.06993	13.9
130.07802	4.4
131.04904	3.3
131.08560	42.3
133.06500	4.8
133.10126	7.5
135.08032	6.0
135.11734	1.0
137.06006	1.6
141.07007	7.8
142.07770	8.9
143.08543	19.9
144.09312	2.1
145.06459	7.6
145.10117	35.4
147.08008	5.1
147.11679	4.0
149.09636	2.8
149.13232	2.7
153.07004	3.7
154.07724	1.3
155.05951	1.1
155.08534	12.7
156.09338	7.6
157.10118	17.4
158.07216	1.3
158.10878	5.7
159.08017	5.7
159.11688	13.0
161.09625	5.9
161.13310	1.9
163.11183	1.7
163.14810	2.2
165.06927	4.8
165.09109	3.8
166.07765	2.2
167.08511	5.8
168.09314	6.4
169.10074	8.2
171.08052	2.7
171.11684	15.6
171.13060	1.6
173.09645	5.4
173.13248	65.0
174.13574	2.2
175.11157	3.9
175.14790	2.3
177.09100	1.1
178.07736	1.3
179.08510	4.3
180.09320	2.1
181.06425	0.9
181.10091	8.3
182.10883	1.1
183.08025	2.7
183.11687	15.0
185.09624	4.2
185.13269	3.1
187.07652	1.0
187.11209	2.4
187.14925	1.2
189.12711	11.3
191.08635	2.4
191.10660	7.4
191.14322	6.1
192.09393	1.8
193.10181	5.3
194.06969	0.9
194.10808	1.6
195.08095	2.3
195.11665	6.7
197.09546	2.5
197.13245	5.0
199.11162	5.6
199.14722	1.6
200.84645	1.0
201.09435	1.0
201.12732	16.9
201.70178	1.1
203.14380	1.7
205.10191	2.3
206.10925	2.1
207.11646	3.9
208.12239	1.3
209.09560	1.3
209.13248	3.9
211.11151	3.6
211.14815	1.3
213.12659	2.2
217.10013	2.6
217.12257	3.7
219.11748	1.7
219.13759	15.6
220.12473	1.1
221.13199	4.9
222.13896	1.3
223.11270	2.1
223.14819	2.3
225.12657	1.4
227.14049	1.2
229.12216	2.8
230.04535	1.0
232.12422	1.7
235.14879	1.2
237.12822	1.6
237.16545	1.8
239.14311	1.4
241.12302	3.0
243.01695	1.3
243.13948	1.9
247.13283	3.7
249.12794	1.3
253.15836	1.2
255.17479	1.5
261.14813	2.5
265.16010	5.8
281.15356	1.5
283.16922	3.9
286.03409	5.4
293.15329	1.9
304.04535	6.8
311.16397	8.6
329.17307	5.3
339.22076	1.0
347.18350	4.3
367.14362	2.2
389.11887	3.4
389.19565	25.2
390.09637	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	389.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76872	1.5
53.03944	2.5
55.01867	3.2
55.05508	23.4
65.03931	2.7
67.05497	11.3
69.03426	67.9
69.62930	6.7
70.00375	1.5
72.09580	1.6
77.59385	1.6
79.05482	9.8
81.02959	2.9
81.03411	35.8
81.07043	7.7
83.04976	53.2
91.05473	26.1
93.07050	8.6
95.04963	14.3
95.08608	9.9
97.06514	2.3
98.92322	1.7
104.30143	2.0
105.07027	25.5
107.04971	3.0
107.08575	8.6
108.29129	1.7
109.06518	8.6
111.04440	100.0
112.04759	2.2
115.05471	4.0
117.07017	22.9
119.08572	18.2
121.06495	4.2
121.10103	4.5
123.08051	4.1
127.01595	2.4
128.06197	6.0
129.07001	11.7
130.07776	4.4
131.04887	4.8
131.08563	36.9
133.10143	8.8
135.08035	4.3
137.11192	1.8
141.06956	8.4
142.07751	8.1
143.08548	17.1
144.09337	5.5
145.06480	5.9
145.10114	33.7
147.08063	4.3
147.11684	4.6
149.09587	2.3
149.13249	3.1
149.62331	1.9
153.06987	5.2
155.08534	15.3
156.09319	4.0
157.10127	16.8
158.10846	4.9
159.08078	5.9
159.11682	12.1
161.09628	5.1
161.46388	1.9
163.14803	2.3
165.06984	6.8
165.09158	3.1
166.07756	2.6
167.08525	5.1
168.09282	6.6
169.10112	10.6
171.11694	13.5
173.09628	5.4
173.13246	61.9
175.11108	3.9
175.14725	2.2
176.81367	1.7
178.07803	2.7
179.08528	5.3
181.10091	6.7
182.10808	2.1
182.69287	1.8
183.11696	10.8
185.09601	2.9
185.13249	4.3
187.11200	2.9
189.12776	10.7
191.08540	1.9
191.10631	6.1
191.14278	5.0
192.07790	4.2
192.09305	2.3
193.10133	3.5
194.10892	2.1
195.11678	7.1
197.09576	2.6
197.13213	4.4
199.11176	2.9
201.12738	14.8
205.08308	2.0
205.10027	2.2
207.11601	4.5
209.09459	2.9
209.13203	4.7
211.11212	2.0
213.12801	2.3
214.19270	1.8
217.12236	4.0
219.13742	14.7
221.13196	6.0
223.11134	2.2
223.14798	2.4
229.12181	3.5
235.14821	2.7
237.12634	2.2
237.16489	2.6
247.13258	3.0
252.76956	1.7
261.15002	2.0
265.15851	6.1
267.06473	5.6
283.16910	3.8
285.07605	2.0
293.15427	3.5
295.05960	4.4
298.04480	2.8
311.16360	6.6
313.07092	2.6
328.09366	23.7
329.17450	5.4
343.08121	3.2
347.18515	5.0
356.09000	13.3
374.10114	3.5
386.86536	2.0
389.12225	63.3
389.19485	24.7
390.12372	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.3
57.03418	1.3
59.17230	1.2
59.82980	1.2
67.05503	3.2
68.99787	4.3
69.03429	23.9
69.07104	1.6
70.06584	2.1
71.01264	1.4
79.05516	2.7
81.03412	10.8
81.07059	2.6
81.35078	1.3
83.04978	18.4
91.05472	13.0
93.07059	4.4
95.04959	4.5
95.08608	5.5
97.06514	1.6
103.05484	4.3
105.03389	4.6
105.07021	8.9
107.04950	1.7
109.06542	2.9
111.04443	32.3
115.05508	2.6
117.07021	7.4
118.06549	2.0
119.08571	7.4
123.15428	1.4
128.06248	2.7
129.07018	5.2
130.07794	2.1
131.04930	5.7
131.08551	16.3
133.10115	2.7
135.07985	2.7
138.01869	2.2
139.00252	9.7
141.07011	2.0
143.08565	7.1
144.09401	1.4
145.06482	2.2
145.10136	12.4
147.08057	2.4
147.11661	1.5
153.06996	1.8
155.08560	5.4
156.09328	2.7
157.10117	5.5
158.10860	1.4
159.08049	3.0
159.11708	3.2
165.09154	2.2
166.87082	1.3
167.02232	1.6
167.08589	2.2
168.05693	1.9
168.09351	1.7
169.10133	2.5
171.04292	1.7
171.07959	1.9
171.11746	2.8
173.09694	2.1
173.13245	21.2
173.93727	1.3
179.05022	3.3
181.10104	3.5
183.11697	5.5
185.13365	1.7
186.01608	1.8
189.12770	3.2
193.10176	1.6
195.11679	2.4
199.11151	2.4
201.12775	5.2
209.09822	2.0
209.13266	1.5
211.88907	1.4
219.13791	5.1
241.04982	28.3
242.05560	3.4
254.04492	2.9
256.06049	5.9
265.15897	2.6
268.06024	4.4
269.04440	39.4
270.05215	100.0
271.05640	9.5
272.05533	6.2
285.06046	3.1
291.95984	1.4
293.15302	2.2
311.16449	2.9
315.01956	1.5
328.32007	3.4
329.17474	1.8
360.12094	2.6
372.12296	6.3
388.33850	1.7
389.10013	26.8
389.19360	7.9
390.10425	2.7
390.35785	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	389.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.05507	20.2
65.03926	2.3
67.05499	9.7
69.03426	64.8
69.07066	2.7
69.51347	7.2
74.48011	2.0
77.77699	1.8
79.05480	13.6
81.03414	32.3
81.07066	13.1
83.04979	54.4
91.05466	26.9
92.60020	1.9
93.07048	15.1
95.04967	13.8
95.08617	9.0
103.05441	2.6
105.07018	28.3
107.04948	3.6
107.08597	12.9
109.06507	8.0
111.03658	4.8
111.04433	100.0
115.05477	2.4
115.37481	2.1
117.07011	17.0
119.08575	23.0
121.06507	4.8
121.10149	3.5
123.08073	5.0
126.07078	2.3
128.06197	7.7
129.06970	17.4
130.07813	7.3
131.08559	41.4
133.06485	6.0
133.10129	7.9
135.08073	3.9
141.07021	10.1
142.07758	8.0
143.08557	17.4
145.06503	6.2
145.10109	36.4
147.08060	6.2
147.11696	3.4
149.09596	2.6
149.13234	2.8
153.06940	2.8
154.07759	2.2
155.08539	18.6
156.09294	3.2
157.10101	21.1
158.10851	4.9
159.08032	4.1
159.11679	15.4
161.09633	3.3
161.13222	3.5
165.07002	5.0
166.07808	4.3
167.08565	8.0
168.09349	6.9
169.10109	5.2
171.07948	2.5
171.11676	12.2
173.09615	7.1
173.13251	69.1
174.13481	3.5
175.11179	3.7
175.14771	3.1
179.08589	3.6
180.54341	2.3
181.10159	6.4
182.10957	4.0
183.08067	2.7
183.11655	16.6
185.09726	3.4
185.13284	3.7
187.11125	2.9
189.12761	9.9
191.08755	2.5
191.10680	8.6
191.14262	2.3
193.10126	5.6
194.10945	3.2
195.11740	7.2
197.13260	5.6
199.11124	5.3
201.12730	17.4
205.10252	2.3
206.10808	2.8
209.09636	3.6
209.13374	3.5
211.11201	3.9
219.11787	3.4
219.13754	17.3
221.13237	6.2
223.11186	3.1
229.12228	4.4
265.15808	5.3
293.15414	2.6
309.72733	2.1
311.16388	8.4
329.17639	4.2
347.18622	7.7
389.19510	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	389.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
54.89814	1.7
55.01871	2.4
55.05505	20.2
58.98886	1.5
65.03947	3.9
67.05503	13.3
69.03423	64.1
69.07063	4.7
69.64666	2.7
79.05492	13.1
80.22156	1.5
81.03405	31.3
81.07049	12.2
83.04973	53.9
84.74520	1.7
91.05476	19.6
93.07028	11.8
95.04967	12.1
95.08589	7.9
97.06547	2.3
103.05484	2.5
104.03870	1.8
105.07026	27.3
107.04939	3.1
107.08578	11.7
109.06508	4.6
109.10173	2.2
111.04435	100.0
115.05459	4.7
116.06245	2.2
117.07007	23.6
119.08570	19.6
121.06495	4.1
121.10167	2.6
123.08039	2.3
128.06232	8.6
129.07005	11.7
130.07751	2.6
131.04906	4.4
131.08549	43.4
133.06502	2.4
133.10138	6.5
135.08029	4.1
141.06984	7.4
142.07784	7.7
143.08560	20.5
144.09349	2.6
145.06488	7.2
145.10114	32.3
147.08081	4.3
147.11710	3.1
149.09615	4.4
149.13322	1.8
153.07042	4.5
154.07803	3.2
154.55019	1.6
155.08533	12.8
156.09308	9.3
157.10110	15.3
158.10878	3.9
159.08046	4.9
159.11671	10.1
161.09604	5.6
163.07506	1.6
163.14842	1.9
165.07002	2.2
165.09117	3.5
167.08586	4.6
168.09329	7.1
169.10069	10.2
171.07976	2.3
171.11671	11.1
173.09673	5.6
173.13248	66.4
175.11154	3.8
175.14894	2.1
177.12679	1.9
177.19501	1.7
178.07838	2.0
179.08603	6.0
180.09370	2.1
181.10085	8.2
182.10945	2.4
183.08145	2.0
183.11671	13.3
185.09669	3.5
185.13255	3.0
189.11249	2.0
189.12718	9.9
191.08636	2.3
191.10643	7.3
191.14279	3.3
193.10117	6.3
194.10893	1.6
195.11612	3.1
197.09689	2.0
197.13246	4.0
199.11174	4.7
201.12723	15.2
203.14386	2.2
205.10129	2.2
206.10936	3.9
207.02916	4.5
207.11702	3.1
209.13292	4.1
213.12805	3.2
217.12151	3.5
219.13756	12.7
221.13194	5.2
223.11174	2.9
223.14867	2.8
225.12668	1.9
229.12317	3.4
231.11673	2.3
232.12390	2.8
234.10316	2.1
235.14853	2.0
241.12141	2.2
243.13799	2.2
247.13129	3.8
249.12399	1.7
249.91820	1.8
261.14801	2.8
265.15891	6.4
267.13803	2.7
283.17078	3.7
311.09155	2.5
311.16425	9.7
329.17377	5.5
347.18552	5.7
389.19504	27.8
390.19684	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	389.1953
Annotation	Maoecrystal B
Peak:m/z	Relative Intensity
53.03947	3.1
55.01867	2.4
55.05509	22.1
57.07079	1.9
65.03926	2.8
67.05495	10.3
69.03423	79.3
69.07063	4.5
70.02512	3.7
70.03756	1.6
77.91906	1.3
79.05484	12.8
81.03409	34.7
81.07047	10.8
83.04971	59.8
85.06570	1.2
89.78502	1.4
91.05471	26.1
93.07045	10.8
95.04972	12.2
95.08595	10.9
97.06524	3.5
103.05490	2.5
105.07018	31.2
107.04942	3.7
107.08559	8.3
109.06513	8.8
109.10159	2.2
111.04435	100.0
112.04756	1.6
115.05450	4.9
117.07018	23.2
119.04916	2.7
119.08568	20.9
121.06507	5.6
121.10148	3.9
123.08064	2.9
127.42450	1.4
128.06192	6.4
129.07007	12.8
130.07776	5.6
131.08556	45.7
132.08875	1.5
133.06482	4.4
133.10104	6.2
135.08067	5.0
135.11691	2.5
141.06973	7.3
142.07759	8.7
143.08548	20.7
144.09309	3.9
145.06474	4.6
145.10123	35.0
146.10420	1.6
147.08038	5.1
147.11678	5.0
149.09612	4.2
149.13211	2.0
153.06989	4.7
154.07750	2.0
155.08551	15.5
156.09338	8.8
157.06454	1.6
157.10114	20.0
158.07288	1.4
158.10863	4.0
159.08063	5.8
159.11717	13.6
161.09642	4.7
161.13271	4.7
163.11159	3.2
163.14674	1.7
165.06999	5.1
165.09099	3.6
166.07729	1.7
167.08519	6.5
168.09341	4.8
169.10104	8.8
171.08032	3.3
171.11658	16.2
173.09612	7.2
173.13242	67.4
175.11121	2.7
175.14816	2.5
179.08537	4.9
180.09367	3.2
181.10101	10.1
182.10828	3.1
183.08058	2.6
183.11682	17.6
185.09660	2.8
185.13304	5.7
189.12679	8.9
191.08601	1.8
191.10658	7.7
191.14287	5.9
192.09242	2.2
193.10121	5.6
194.10950	1.7
195.07986	1.4
195.11679	6.5
196.12515	1.4
197.09601	2.9
197.13239	3.5
199.11229	5.6
201.12701	19.6
203.08582	1.7
203.14201	2.1
203.22864	1.4
205.09987	1.3
206.10924	3.8
207.11652	4.7
209.09628	2.3
209.13203	3.6
211.11188	3.8
213.12773	2.4
215.14319	1.6
217.10194	2.6
217.12230	4.3
219.11798	1.7
219.13759	18.1
221.13295	3.6
223.11133	3.0
225.12581	1.8
229.12195	3.5
235.14868	1.8
237.16479	2.6
239.14241	2.2
241.12169	2.5
243.13779	2.5
247.13303	5.3
249.12616	1.5
265.15771	8.9
279.15829	2.3
283.16962	4.8
293.15320	3.8
311.16281	8.7
329.17374	5.9
347.18515	4.4
389.19534	28.0
403.78668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.1
55.01867	4.3
55.05510	26.5
65.03919	2.2
66.23386	2.1
67.05499	11.8
69.03068	4.4
69.03429	76.9
69.07048	2.8
69.92608	3.3
69.92944	5.5
79.05487	10.0
81.03416	33.7
81.07053	12.5
83.04975	58.4
84.20022	2.1
85.06522	2.6
88.99156	2.1
91.05474	26.0
93.07039	13.2
95.04952	13.1
95.08608	9.9
98.23373	2.7
99.30282	2.5
102.36238	2.5
103.05418	3.2
105.07026	28.0
107.04953	3.4
107.08594	11.3
109.06498	10.6
111.04439	100.0
113.06091	2.3
115.05444	3.6
117.07019	19.1
119.08590	20.8
121.06512	7.0
121.10133	5.2
123.08005	3.4
128.06230	8.5
129.07024	11.3
130.07799	2.9
131.04916	5.5
131.07660	4.0
131.08569	41.0
133.06476	4.7
133.10146	8.3
135.08083	5.5
141.06976	7.4
142.07764	8.4
143.08554	19.5
144.09285	2.7
145.06464	7.7
145.10109	33.0
147.08035	4.7
147.11647	4.4
149.09639	3.1
153.07011	4.2
155.08543	9.6
156.09352	6.4
157.10129	17.0
158.10944	3.7
159.08043	5.1
159.11665	12.4
161.09641	5.3
161.13228	3.7
163.07588	2.3
163.14848	4.0
165.06978	6.7
165.09126	3.3
165.21741	2.7
166.07787	3.2
167.08557	6.2
168.09212	4.9
169.06470	3.0
169.10136	9.5
171.08063	3.5
171.11630	13.1
173.09633	6.8
173.13248	66.4
174.13638	3.9
175.11157	5.4
178.07721	3.5
179.08603	5.5
180.09335	4.2
181.10077	10.5
183.11661	15.2
185.09711	4.1
185.13287	4.0
187.11310	3.1
189.12735	9.7
191.08424	2.0
191.10693	7.6
191.14328	4.3
192.09338	3.7
193.10161	5.1
194.10905	4.4
195.08061	2.7
195.11700	5.2
197.13249	3.1
199.11205	7.8
201.12709	14.9
206.10912	3.6
207.11644	5.5
209.09637	3.5
217.10123	2.9
217.12263	2.6
219.11963	2.7
219.13795	16.2
223.14636	2.4
225.12648	2.4
229.12238	2.6
232.12480	2.8
241.12181	2.8
243.13748	3.5
261.14825	3.0
265.15842	6.2
267.13644	2.8
283.16916	4.4
293.15332	3.9
311.16440	9.3
315.01340	2.6
328.04288	4.5
329.17468	5.8
343.06296	4.9
347.18478	4.7
389.11990	3.6
389.19461	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	389.217
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05509	9.8
67.05515	9.5
69.03439	16.7
69.07080	6.0
69.90168	3.8
71.45777	4.4
79.05506	10.2
81.03415	4.6
81.07055	35.5
82.56642	3.6
83.04992	12.0
85.02893	9.0
85.06035	3.2
85.06547	13.1
86.06061	14.4
91.05467	9.7
93.07041	31.7
95.04951	9.2
95.08597	22.9
97.02843	4.2
97.06553	9.0
98.06064	7.1
99.08109	5.2
103.05468	6.6
105.07032	20.7
107.08592	73.0
109.02890	7.1
109.06512	10.0
109.10143	18.6
110.06058	16.0
110.66032	3.6
111.08070	5.7
119.08596	16.9
119.64110	3.7
121.02835	5.8
121.06474	9.6
121.10156	38.4
123.08067	11.0
131.04932	28.2
131.08566	17.9
133.10120	41.5
135.08043	12.6
135.11649	5.0
137.09622	10.8
138.05531	6.6
139.11200	9.0
141.05467	5.7
145.10129	9.8
147.11671	9.2
149.09630	9.6
149.13243	43.0
151.11201	26.0
161.02356	5.2
161.05965	7.2
161.13239	8.8
163.14778	30.8
167.10732	8.2
173.13254	36.6
179.03404	4.4
179.14325	4.6
189.01744	5.6
191.12567	7.1
191.14293	100.0
192.14758	6.5
206.04529	13.2
209.15341	45.2
224.05592	5.4
227.16408	46.3
236.05533	8.6
252.86847	4.1
265.08289	5.1
279.75369	4.5
282.11365	4.4
286.65002	4.7
308.08749	4.4
310.10681	30.8
337.06808	3.9
354.09616	10.8
372.10925	6.5
382.06586	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	389.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.2
56.05015	1.4
57.05816	0.9
60.38939	0.8
68.99783	0.8
69.07062	7.2
70.06581	2.8
71.43099	1.0
72.08150	31.7
74.06075	1.5
81.03401	1.3
84.04488	2.0
84.08136	3.2
85.40103	0.9
86.09699	100.0
87.10047	1.0
91.05522	1.4
110.07163	1.1
111.04446	2.5
119.04945	1.7
121.02881	3.4
126.32517	0.9
129.10257	1.8
137.02292	1.6
143.11798	23.7
147.04384	3.0
147.11298	1.0
163.03912	1.4
171.11276	16.4
185.16618	1.0
201.12358	1.6
219.13387	19.4
225.05394	1.4
239.17516	1.0
247.12868	1.3
248.68182	0.9
255.06468	1.7
256.06882	1.6
271.05936	1.7
284.19675	3.1
299.05405	1.5
309.03989	3.7
345.06052	2.6
346.06381	1.0
389.05014	3.9
389.17786	3.5
389.24448	2.5
398.67917	1.1
408.64526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01854	1.9
55.05507	17.7
57.81496	1.3
65.03925	3.5
67.05502	15.7
69.03430	16.4
69.07065	10.7
70.06642	1.8
70.06966	2.8
70.78688	1.2
71.04969	1.8
74.30401	1.4
79.05495	9.3
81.03399	7.8
81.07053	32.4
83.04975	26.7
83.08599	3.8
85.06541	1.5
90.52744	1.3
91.05469	12.1
93.07039	17.4
95.04964	100.0
95.08031	1.9
95.08603	29.8
96.05254	2.2
97.06505	8.2
97.10164	7.6
98.22781	1.7
105.07024	18.9
107.08578	16.5
109.06506	14.4
109.10147	16.6
111.04436	20.9
111.08072	3.6
111.11687	3.3
117.07045	6.6
119.08568	18.0
120.08860	1.5
121.06518	2.5
121.10152	13.2
123.08044	2.5
123.11744	8.4
124.03962	2.2
125.09618	1.7
126.64800	1.3
128.06219	2.3
129.07014	3.7
130.07755	2.3
131.08572	14.6
133.10118	5.4
135.08044	1.5
135.11682	7.9
137.13191	2.3
139.11241	3.2
142.07758	2.6
143.08549	6.8
145.10146	11.6
147.11665	8.0
149.09572	2.7
149.13258	5.6
155.08569	3.5
156.09303	3.0
157.10185	7.0
158.10927	1.5
159.11671	9.6
161.09566	1.6
161.13200	4.2
163.11192	3.5
163.14818	2.8
165.12683	3.1
167.08548	2.2
168.09102	1.8
169.10088	1.9
170.53198	1.4
171.11673	4.4
173.09592	2.2
173.13243	19.8
175.11227	1.6
175.14806	3.9
179.08525	1.8
181.10086	2.1
183.11679	5.6
185.09515	1.6
185.13266	2.6
187.14828	2.5
189.12706	3.1
189.16399	2.1
191.10754	1.4
191.14285	1.9
193.10063	1.8
197.13127	1.7
201.12717	4.8
201.16440	2.6
207.17485	1.7
209.15332	1.7
215.17995	3.7
219.13779	5.1
219.17317	1.4
229.12149	1.6
229.42212	1.6
237.03596	1.5
265.15860	1.8
265.86755	1.6
311.16641	2.6
344.10785	1.4
353.28424	3.3
371.29376	13.9
386.20761	1.5
389.19351	3.4
389.26443	24.1
389.30548	18.1
390.30988	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01881	1.4
58.66950	1.0
63.24144	0.9
68.99786	2.1
72.08139	1.0
79.05502	2.8
81.03419	2.9
83.01337	1.2
83.04951	1.5
84.22526	0.9
91.05465	4.9
92.42567	0.9
93.03410	1.7
95.04937	4.4
98.12105	0.9
99.04476	1.2
99.94729	1.0
100.03963	1.5
103.05471	29.5
105.03400	4.8
105.07059	2.2
106.06561	2.4
107.04948	3.0
108.04485	2.1
109.02869	7.4
110.06042	6.3
111.04446	1.4
121.02834	5.6
128.19325	0.9
131.04926	100.0
132.04424	4.7
132.05309	1.6
133.02863	7.2
134.06018	1.1
135.04411	3.9
137.02341	3.4
138.05435	2.4
139.03902	1.1
147.00766	3.0
147.04410	1.8
149.02350	2.0
151.03891	4.9
155.03389	2.1
160.03926	1.4
161.02339	13.3
163.03871	3.0
164.03490	1.1
165.01790	3.9
167.03433	1.4
169.01320	1.9
173.06006	2.6
176.03314	1.0
177.01790	5.1
177.05481	1.7
178.05000	7.7
179.03397	6.3
180.06551	1.2
187.00285	1.5
188.03534	1.0
189.01872	5.8
192.07597	1.1
195.02885	6.9
197.04515	1.3
202.07333	1.5
204.02959	1.7
204.06580	1.9
205.01375	7.0
205.04927	1.8
206.04478	10.8
207.02876	9.2
214.99727	3.2
219.08052	2.1
222.03955	3.9
223.02467	4.6
224.05505	6.4
225.03976	2.1
232.02409	2.9
233.00806	5.4
235.07527	2.3
237.09125	2.1
241.03540	1.3
247.07516	2.3
249.09164	1.2
250.03545	2.2
251.01859	2.7
251.06964	2.3
263.06897	1.5
264.10269	2.1
265.08569	4.9
268.04614	2.3
269.02930	5.0
273.07526	3.3
281.08133	2.6
291.06525	2.5
292.09677	17.2
293.07947	6.1
308.09122	2.0
309.07422	6.3
310.10709	19.3
311.09177	2.3
312.05167	1.0
325.07117	1.1
326.10104	4.5
327.08536	1.7
336.08533	2.5
337.07138	2.8
344.11252	1.4
345.09439	1.3
346.12692	6.2
354.09732	14.0
355.07947	7.2
372.10703	2.5
373.09042	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	390.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67559	1.6
55.01863	4.8
56.61434	1.9
65.03959	2.3
65.35139	1.7
68.99789	6.7
69.26461	7.9
69.26865	4.1
81.03423	5.7
83.01332	16.8
91.05473	13.0
95.04964	3.5
98.03539	1.9
98.06055	4.4
100.03989	18.8
103.05466	31.8
105.03335	2.2
105.06998	4.2
107.04957	7.1
109.02889	20.7
110.06071	3.6
111.05264	1.9
121.02863	4.8
126.05493	3.0
131.04919	100.0
137.02335	10.3
149.02255	4.5
149.85921	1.8
154.04997	3.2
155.03368	3.6
165.01793	12.0
166.99767	3.7
167.03432	4.6
168.00539	8.6
169.01352	11.2
171.04370	3.1
177.01772	9.6
185.00819	4.4
186.01581	5.7
189.01865	5.6
195.02905	10.7
204.02914	2.7
205.01306	13.3
206.04514	4.3
207.02867	7.2
209.00812	5.1
223.02396	10.4
232.02373	10.2
233.00826	8.4
236.05553	7.2
250.03477	12.9
251.01828	8.4
263.07159	2.4
268.04510	4.3
269.02927	4.3
271.06015	6.9
272.06726	4.4
273.07538	18.7
274.07666	2.1
281.07928	5.6
291.06381	3.1
293.08142	11.3
295.05994	3.7
309.07608	13.1
310.10699	4.8
327.08578	9.6
336.08621	6.4
337.06985	19.3
341.44122	2.3
354.09711	31.9
355.07941	18.9
372.10748	4.7
373.09143	5.7
390.11932	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	0.7
68.99780	2.5
69.03421	1.0
69.52229	1.2
69.52604	1.2
70.06602	1.1
71.01350	0.6
80.50361	0.6
81.03422	1.0
84.04528	0.6
91.05471	0.9
91.36475	0.6
93.03418	1.0
95.01334	3.2
95.04950	2.7
97.02861	0.7
99.04421	0.6
103.05466	32.5
104.05787	1.3
105.04466	0.9
105.07011	1.0
107.01293	0.7
110.06009	1.1
111.04409	0.8
112.03954	1.9
115.46660	0.7
120.10958	0.6
121.02830	0.6
122.02254	0.6
123.00764	1.3
126.05477	0.6
127.03934	1.7
131.04922	100.0
132.05278	3.5
137.02296	3.6
138.01784	0.8
139.00255	1.7
140.03329	0.6
147.00728	1.5
149.02370	1.0
150.01787	1.2
151.03889	0.8
152.83594	0.6
153.01801	0.8
153.05496	0.6
154.04942	1.3
155.03413	1.5
155.04816	0.7
157.01311	7.6
163.00246	1.5
164.03441	1.0
165.01820	3.1
173.05956	2.4
179.03445	2.2
181.01315	2.5
182.04460	1.4
183.02870	1.9
190.99760	1.8
192.02954	0.7
193.01266	1.2
195.02979	0.8
195.08142	0.8
200.05566	0.8
205.06509	0.8
207.02867	1.6
208.02480	2.0
209.00812	1.2
210.03929	1.5
223.02322	1.6
225.03857	1.6
237.96330	0.8
241.03471	1.8
241.08714	1.4
243.06523	4.7
249.05489	0.8
250.03554	1.0
251.01962	1.6
251.07062	1.4
267.06558	1.8
268.04514	2.3
269.02856	1.2
277.04788	0.9
279.06464	1.1
281.08026	0.6
282.60739	0.8
294.07755	0.7
295.06073	3.2
309.07574	1.5
310.10873	0.6
311.09045	1.0
322.06937	1.0
327.08633	2.7
336.08698	1.8
337.07077	2.4
341.06320	0.6
345.09610	1.5
354.09628	5.3
355.08234	2.8
372.10773	4.0
373.09274	1.6
390.11829	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	390.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01869	0.6
55.05499	0.5
65.03918	0.7
67.05494	0.7
68.99784	2.7
69.03419	1.4
69.21328	1.9
77.03905	0.7
79.01824	0.5
91.05480	1.0
93.03400	1.2
95.01299	2.3
95.04958	2.0
95.08606	0.6
97.02877	0.8
99.04433	1.3
102.04669	0.4
103.05462	34.7
104.05788	1.0
105.04488	0.6
105.07028	1.4
107.01289	0.4
107.04904	0.6
109.02851	0.5
109.79996	0.4
111.04440	1.4
112.03965	2.7
113.02328	0.5
115.32309	0.4
117.46783	0.4
118.89139	0.3
119.01265	0.6
121.02876	1.2
121.06478	0.4
121.10181	0.8
123.00764	1.8
127.03905	2.2
131.04918	100.0
132.05211	2.4
136.03918	0.8
137.02353	3.2
138.01842	0.9
139.00241	1.5
140.03394	0.6
141.01750	0.8
147.00735	0.9
149.02304	1.0
150.01869	1.9
151.00287	0.5
151.03888	1.0
153.05421	0.9
154.05006	1.3
155.03391	1.1
155.04892	0.9
157.01309	7.4
163.00198	1.1
163.03970	0.5
164.03455	1.2
165.01790	2.1
165.06967	0.5
166.01323	0.9
173.05983	3.5
174.01807	0.4
177.05453	0.7
178.01308	0.5
179.03378	5.0
180.02827	0.6
180.03810	0.5
181.01314	2.9
182.04478	1.1
183.02917	1.4
185.00943	0.4
190.99809	1.2
191.06956	0.5
193.01262	1.4
193.04941	0.9
194.05351	0.5
195.07983	0.7
197.04477	0.9
197.09674	0.4
199.07527	0.9
200.05522	0.7
205.04857	0.5
205.06577	0.8
205.08479	0.6
207.02910	0.8
207.06505	0.6
208.02423	1.0
209.00829	1.5
210.03964	1.6
215.06917	0.6
218.08900	0.5
223.02327	1.9
223.07538	0.6
224.05545	0.5
225.03802	0.9
226.03456	0.6
233.06030	0.7
233.08096	0.5
241.03340	2.1
241.08636	1.7
243.06543	5.2
243.10173	0.8
244.10568	0.6
250.03487	0.6
251.01828	1.4
251.07043	1.6
267.06570	1.5
268.04498	3.3
269.02933	0.7
269.08072	0.6
270.07553	1.2
277.04974	1.3
278.08163	0.5
279.06317	0.6
286.05649	1.0
294.07678	0.8
295.05988	2.5
296.09186	0.7
309.07556	1.2
311.09204	0.9
313.06900	1.0
327.08630	1.6
329.17249	0.6
330.17920	0.6
336.08627	2.3
337.07062	2.3
340.08182	1.0
341.06567	0.8
345.09671	1.5
354.09732	6.5
355.07938	2.9
362.16785	0.6
372.10767	5.4
373.09314	1.4
389.19550	8.9
390.12241	3.7
390.19891	18.2
391.20517	0.6
394.79001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03214	0.9
54.03468	3.7
64.64212	0.9
67.01843	1.5
68.99775	9.2
70.02975	1.4
87.75681	0.9
90.70541	0.9
91.05478	2.6
93.78342	0.8
95.04964	1.9
98.02451	1.0
98.23540	1.9
103.05490	3.6
105.03384	9.7
105.07044	1.2
105.68194	0.9
110.02407	8.2
110.06052	2.1
115.05424	1.2
117.07079	1.0
121.06501	16.8
131.04926	9.5
132.98509	0.8
138.01854	73.8
139.02231	0.8
140.03424	1.4
141.06976	1.0
145.06332	1.0
148.67798	0.8
156.02904	5.6
163.00298	2.3
164.03418	1.1
166.01350	78.4
167.01909	4.4
168.02954	3.4
169.06479	1.6
181.01389	1.2
184.02399	18.6
185.03123	2.0
190.99733	5.3
197.05997	2.1
209.00781	7.4
224.07133	1.4
225.05450	26.8
226.05777	1.5
234.10226	0.9
241.04945	8.2
242.05565	1.7
242.08109	19.6
243.08464	1.0
245.56197	0.9
259.05984	1.7
268.05966	2.0
269.04410	7.8
270.07590	100.0
271.08011	7.9
295.05942	6.2
322.63138	0.9
345.11136	2.1
363.09464	1.4
372.12225	2.8
373.10721	5.7
390.11215	1.1
390.21930	1.4
391.09067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03471	1.5
56.65305	0.8
57.07067	2.3
58.06594	1.1
58.94342	1.0
65.03920	1.3
67.35610	0.8
68.01994	0.8
68.99780	3.2
69.03415	1.3
69.41795	3.8
70.02954	1.6
70.06594	6.3
79.05509	1.6
83.03704	1.6
83.04956	2.3
86.09680	1.4
88.07618	3.7
91.05477	39.4
92.05824	1.7
102.09162	1.7
103.05478	7.1
105.03383	2.7
105.07038	1.3
106.06580	1.4
110.02405	2.0
111.03200	5.2
111.04428	1.9
118.06545	1.0
126.01905	0.9
130.06523	6.8
131.04930	7.2
132.10204	3.3
134.05980	1.6
138.01866	17.8
139.00293	1.2
139.02650	3.2
142.06485	1.4
144.08081	1.0
146.05997	1.5
146.11746	2.3
153.01808	1.6
154.06538	1.0
156.08028	1.5
158.06030	7.4
166.01352	16.2
167.02141	41.4
168.02797	2.4
170.05997	4.2
172.07568	1.2
173.13379	1.0
174.13603	1.0
180.02934	1.6
184.02415	4.3
184.07593	2.5
185.03189	23.6
190.01375	3.0
198.05550	2.4
200.07086	1.7
208.02359	1.6
212.06950	6.3
218.26862	0.9
222.05475	1.2
225.05447	6.1
226.05103	3.1
228.06435	1.3
238.36093	1.0
240.06601	5.4
242.05479	1.3
242.08115	3.5
244.06001	1.5
250.04968	1.7
256.06003	1.3
257.06314	2.8
266.16229	0.9
266.28470	1.0
268.06036	77.1
269.06436	4.1
270.04996	4.6
270.07645	11.7
271.02917	1.2
271.05539	6.1
271.08395	23.0
272.08810	1.5
284.29474	4.4
286.07089	6.3
328.32129	11.3
330.11343	1.7
330.17673	1.4
345.02881	2.2
361.12671	1.5
367.17770	1.7
372.12274	100.0
372.33743	1.0
373.12628	7.8
390.13699	10.3
390.35754	34.2
391.35892	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03214	0.9
54.03468	3.7
64.64212	0.9
67.01843	1.5
68.99775	9.2
70.02975	1.4
87.75681	0.9
90.70541	0.9
91.05478	2.6
93.78342	0.8
95.04964	1.9
98.02451	1.0
98.23540	1.9
103.05490	3.6
105.03384	9.7
105.07044	1.2
105.68194	0.9
110.02407	8.2
110.06052	2.1
115.05424	1.2
117.07079	1.0
121.06501	16.8
131.04926	9.5
132.98509	0.8
138.01854	73.8
139.02231	0.8
140.03424	1.4
141.06976	1.0
145.06332	1.0
148.67798	0.8
156.02904	5.6
163.00298	2.3
164.03418	1.1
166.01350	78.4
167.01909	4.4
168.02954	3.4
169.06479	1.6
181.01389	1.2
184.02399	18.6
185.03123	2.0
190.99733	5.3
197.05997	2.1
209.00781	7.4
224.07133	1.4
225.05450	26.8
226.05777	1.5
234.10226	0.9
241.04945	8.2
242.05565	1.7
242.08109	19.6
243.08464	1.0
245.56197	0.9
259.05984	1.7
268.05966	2.0
269.04410	7.8
270.07590	100.0
271.08011	7.9
295.05942	6.2
322.63138	0.9
345.11136	2.1
363.09464	1.4
372.12225	2.8
373.10721	5.7
390.11215	1.1
390.21930	1.4
391.09067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03938	1.1
55.01867	0.8
57.03432	0.9
61.02931	0.5
69.03416	1.6
69.53663	1.0
69.54037	0.8
70.06583	1.0
70.36221	0.4
71.04967	0.5
73.02912	0.9
77.03924	0.9
78.48832	0.4
79.05484	6.4
81.03419	2.2
85.02902	6.1
85.06527	0.5
86.09689	0.7
87.00831	2.6
89.06037	2.1
90.06356	0.6
91.05498	0.7
95.04963	3.6
97.02895	2.6
97.70999	0.4
99.04449	1.2
99.66679	0.4
103.03939	0.5
105.01867	3.1
105.04510	1.5
107.04948	100.0
108.04508	0.7
108.05275	2.2
109.02881	2.5
111.87605	0.4
116.07115	0.4
117.24685	0.4
120.08111	1.0
121.06495	1.0
124.07475	0.4
126.01014	0.5
126.05521	0.5
127.03910	3.9
129.01826	0.5
130.04947	0.4
131.04915	0.6
133.06477	0.5
133.08578	1.1
137.06033	0.5
143.03412	0.7
145.04971	1.8
145.06560	0.5
149.02361	0.9
149.05969	1.9
159.02924	1.3
161.05963	0.8
173.05995	0.8
187.07545	1.0
189.03920	1.5
191.06915	0.5
197.05948	0.5
199.08696	0.4
203.07027	0.7
209.03984	0.7
213.04041	0.4
215.07060	1.6
228.13199	0.5
231.05020	1.6
233.08153	0.6
248.07744	0.7
249.06059	1.1
284.09668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
53.03931	3.0
56.05034	1.5
58.06586	0.7
69.03423	11.4
70.06580	3.0
72.08147	3.2
73.02922	0.8
74.06071	2.2
78.03443	13.6
80.05010	2.2
81.03411	18.4
83.98523	0.6
84.04496	2.0
84.08125	3.6
85.02891	8.6
85.08461	0.7
86.09692	4.3
87.04464	1.1
87.10056	0.7
96.04494	3.6
97.02865	4.5
98.97607	0.8
99.04446	2.0
102.05501	0.7
106.02906	52.1
107.03210	1.3
109.02850	10.6
124.03938	100.0
125.04279	1.5
127.03918	6.6
129.10236	1.4
133.65370	0.7
149.02306	1.8
166.04987	1.0
174.56076	0.7
175.75023	0.7
177.08690	2.1
187.14384	4.0
228.08707	1.1
232.06108	3.5
250.07098	19.7
251.07253	1.3
268.08139	43.9
269.08514	2.1
287.45526	0.7
390.13754	3.6
390.25354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	12.0
55.05507	10.9
56.05045	3.6
56.34172	3.2
56.96967	3.9
67.05505	5.4
69.03408	5.1
70.06587	8.7
71.04971	6.7
71.26141	5.1
72.08147	28.3
73.02911	6.4
73.08515	3.8
79.05477	7.1
81.03397	5.5
81.07062	5.7
83.04976	10.4
84.04498	5.4
84.08158	3.8
85.02896	18.8
86.09695	27.4
87.10028	4.4
91.05481	8.3
95.04984	7.8
97.02851	6.4
103.05462	5.7
105.07027	61.1
107.04922	10.8
109.02871	8.2
109.10181	5.6
115.05434	7.0
119.04914	9.3
120.08109	4.7
121.02824	3.8
125.09612	19.1
126.01066	5.7
127.03888	10.0
127.11192	7.4
128.00749	3.6
133.06464	43.1
137.02338	5.8
143.06050	4.2
143.10661	5.5
143.11771	7.9
147.17943	3.8
149.02335	8.3
149.05925	7.0
151.07491	7.6
161.04698	8.1
161.05962	100.0
162.06334	4.8
166.07288	4.9
167.07013	7.0
193.08588	64.1
210.08784	5.7
211.09657	19.2
390.14374	5.6
391.15854	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	390.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	2.6
63.67748	0.4
64.08109	0.4
67.05507	0.5
68.99788	0.4
69.07066	7.2
70.06560	1.4
71.04436	0.5
72.08147	2.9
73.08500	0.5
74.02426	0.4
74.06072	11.3
84.04507	2.2
84.08143	4.5
85.75420	0.4
86.09699	100.0
87.09542	0.5
87.10016	2.9
98.06045	0.7
99.05547	0.5
107.05014	0.5
116.07072	1.3
121.02869	1.5
126.05531	3.2
129.10240	2.7
134.04500	0.6
138.05496	0.9
143.11801	1.0
144.06490	0.9
144.12160	0.7
149.02328	0.9
162.96693	0.4
171.11226	0.5
172.11684	0.5
195.11295	0.7
211.14330	1.2
219.13356	0.7
220.13799	0.4
239.13925	4.7
240.14099	0.5
247.12891	9.3
282.75342	0.5
336.54047	0.4
346.06305	0.5
357.02512	0.4
390.05237	0.5
391.15701	5.0
391.23749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	8.4
57.07039	7.3
70.06580	15.6
71.08623	16.2
72.08144	24.0
81.72442	5.7
84.08134	94.4
86.09701	74.8
87.10030	25.3
94.84946	6.0
95.05016	8.6
98.97578	10.0
116.98613	6.1
121.02825	8.5
129.10266	62.1
137.99759	6.2
149.02316	90.0
153.25961	6.8
200.87982	6.0
219.01772	8.5
266.14581	7.1
276.17136	6.0
296.77795	5.8
305.09039	14.1
323.10028	22.5
339.08356	6.3
347.10654	7.1
391.09952	55.0
391.15628	100.0
391.23544	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	391.1022
Annotation	5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
50.05608	0.7
51.86480	0.7
55.01882	0.6
63.68761	0.7
65.03923	1.1
68.99788	1.8
69.03424	1.8
69.06884	4.7
75.04086	1.0
75.04478	13.5
79.05484	1.3
81.03416	1.1
83.04968	1.2
83.70509	0.7
85.02921	1.8
87.04462	1.6
89.06030	1.5
91.05473	1.5
95.01334	5.2
95.04932	1.8
97.02883	3.2
99.04440	1.5
105.03411	0.8
105.07001	1.2
108.05691	0.7
109.02887	1.2
111.04403	1.5
119.01309	3.3
119.04922	1.6
121.02857	25.6
127.03931	3.0
129.07008	0.9
130.06540	3.3
131.04912	1.4
132.08047	1.9
135.04358	2.0
137.02315	2.3
141.07027	0.7
143.03384	9.3
144.08118	1.1
145.02846	12.6
145.06509	1.2
147.04420	2.2
149.02327	3.3
151.03889	3.0
153.01884	1.1
155.03337	0.9
157.06458	1.8
159.09209	3.0
161.04485	1.0
161.05965	0.8
163.03923	2.3
165.01782	3.1
165.05472	1.8
167.03435	1.0
169.04985	1.7
169.06409	1.4
177.05457	1.5
179.03423	1.0
181.01352	1.5
181.06458	2.8
183.02856	1.6
187.03844	1.4
191.16960	0.8
193.04979	1.1
197.04388	1.0
197.05963	2.1
209.00761	1.0
209.04248	0.9
209.06013	1.7
210.06815	1.4
213.05525	0.9
225.05412	4.5
226.06195	1.7
229.04909	2.1
229.06877	0.8
230.24770	0.7
237.05412	3.6
239.07077	4.6
243.06558	0.9
245.09259	2.5
253.04974	2.9
253.08557	3.4
254.05821	3.9
255.06506	11.0
256.06833	0.9
259.02386	2.1
265.04929	12.1
267.06369	1.0
268.07220	0.9
269.08109	12.1
270.08493	0.8
271.05957	2.4
277.03406	0.8
281.04465	7.7
283.05997	4.4
283.09607	6.2
285.07639	1.7
291.04907	1.1
297.07504	3.6
299.05405	1.1
301.16309	0.9
309.04007	1.7
311.09140	1.0
313.07025	3.4
315.08539	0.9
323.05447	2.1
327.08469	0.8
329.10059	0.9
331.08148	6.8
345.12640	0.7
346.16422	1.7
347.16782	1.0
355.11679	1.9
359.07581	55.6
360.07813	3.7
373.09134	100.0
374.09442	5.5
391.08862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01871	1.2
65.03928	1.1
68.99782	1.5
69.03391	0.8
69.75226	1.5
69.75588	1.5
75.07792	0.7
81.03411	4.5
83.05004	0.8
85.02907	1.7
91.05466	1.9
95.04956	1.3
98.23475	0.9
99.04482	1.0
103.05466	26.1
104.05798	1.4
105.03365	1.1
105.07011	2.1
109.02879	24.1
110.06008	0.8
111.04442	1.5
113.02440	1.0
121.02874	3.8
123.00828	0.9
126.01086	7.2
127.03921	2.1
128.02660	1.2
131.04924	100.0
132.05244	4.6
133.02864	2.1
137.02350	4.9
138.02689	0.8
139.03912	1.5
139.43216	0.7
147.00784	1.3
149.02325	4.2
151.00215	0.8
151.03955	1.4
155.03394	5.7
161.02333	1.5
165.01852	9.4
167.03403	2.4
173.06020	1.2
177.01819	4.9
179.03398	2.7
183.02936	1.9
189.01811	2.8
195.02905	4.2
205.01387	3.5
207.02992	3.7
209.00827	1.4
217.04893	3.3
219.07785	0.7
223.02325	10.1
223.07387	0.7
225.03920	1.4
229.07332	7.2
233.00740	5.3
235.07506	0.8
237.09116	1.2
241.03462	1.5
243.05031	0.9
247.07495	0.9
251.01874	12.6
251.06969	0.7
252.02136	0.7
263.06894	1.2
265.08582	1.0
269.02905	9.8
269.07788	1.1
270.03256	0.8
273.07425	0.7
274.07779	0.8
281.08063	2.2
287.03943	3.7
291.06461	2.1
293.08008	2.2
300.61093	0.7
309.07544	5.7
310.07950	0.8
311.09125	2.7
337.07034	17.5
338.07352	1.5
345.31226	0.8
355.07986	11.5
356.08542	2.2
373.09210	6.5
391.10382	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	391.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22332	0.3
54.22597	0.3
70.93222	0.3
98.22681	0.3
99.49595	0.3
111.41907	0.3
113.56035	0.3
132.77206	0.3
133.05046	0.3
149.02354	0.7
186.06572	0.6
197.48625	0.4
227.05229	1.7
230.05434	0.4
238.07469	0.3
350.09680	0.9
377.09119	0.4
391.13593	100.0
392.13980	6.7
405.08163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1597
Annotation	Reptoside
Peak:m/z	Relative Intensity
53.03940	5.7
55.01872	35.3
55.05507	23.9
57.03436	8.5
57.07063	3.8
61.02930	4.3
67.05499	30.8
68.99773	3.3
69.03432	27.7
69.07061	7.5
69.34488	9.7
70.06597	15.3
71.04997	27.1
71.08637	6.0
72.08144	3.3
73.02911	33.4
79.05499	9.0
81.03418	33.4
81.07054	11.9
83.01286	2.6
83.04971	20.8
83.08619	8.6
84.04491	5.9
84.08157	19.9
85.02910	56.6
85.06541	9.8
86.09703	17.0
87.00835	26.1
91.05474	7.9
93.07027	6.5
95.04952	8.5
95.08608	3.6
97.02881	20.6
97.10157	14.3
99.04436	13.2
99.08064	3.6
105.01869	19.5
105.07027	5.1
107.04964	8.3
107.08611	7.8
109.02883	25.6
109.06501	7.0
109.10159	41.7
111.04468	3.3
115.03938	3.1
116.07095	4.8
117.01859	5.0
119.08640	3.6
120.08113	7.0
121.06512	3.2
123.08079	3.7
125.06014	18.0
125.09628	100.0
127.03899	36.2
127.11175	42.2
129.10225	20.5
131.08578	3.6
137.05937	6.8
137.09656	5.8
139.03979	5.6
143.10669	23.7
145.04890	16.8
145.12289	6.0
147.04405	9.1
149.02332	39.2
149.05899	3.2
149.09599	17.5
159.02800	15.9
159.67242	2.9
161.09654	2.9
167.03386	3.4
167.10686	38.8
185.11780	4.5
187.06035	3.6
197.12999	4.0
209.11647	5.3
227.12727	5.4
231.04991	3.3
233.11699	7.9
251.12701	3.6
266.58627	3.1
276.16901	3.5
337.12848	3.6
364.35413	3.0
391.06290	3.2
391.15759	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02144	0.4
59.04993	7.6
65.88518	0.5
70.06584	0.8
71.04979	1.0
73.02915	1.3
73.06550	1.7
78.99501	0.5
84.08118	0.5
87.04456	4.5
89.01589	0.8
89.06023	100.0
90.06357	1.7
91.01287	0.6
94.06501	0.5
103.07551	4.3
104.45734	0.4
107.07061	3.0
107.59092	0.5
112.99988	4.0
121.02895	0.5
124.67520	0.5
127.01553	31.5
133.08592	29.9
134.08986	0.7
139.01544	9.8
147.10126	1.3
149.02357	2.8
153.03107	26.7
157.07538	0.6
177.11185	7.0
183.04106	3.2
197.05714	7.4
203.48892	0.5
220.73573	0.5
227.06845	0.9
241.08316	0.8
259.09332	0.7
287.98904	0.5
300.11108	0.5
303.82834	0.5
391.19113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2111
Annotation	Kadangustin H
Peak:m/z	Relative Intensity
52.62305	1.0
56.04524	1.0
57.07057	1.3
62.34230	1.0
67.05511	1.1
69.36237	1.8
69.36660	3.2
73.39185	0.8
79.05476	5.1
91.05488	3.6
93.07033	4.0
95.04961	2.5
95.08604	3.3
98.22769	1.4
98.29192	1.0
103.05461	6.2
105.07038	3.2
107.04950	7.3
107.08562	2.2
117.06995	1.3
119.08567	3.8
121.06489	1.8
121.10126	14.7
131.04939	2.8
133.06575	1.1
133.10085	1.6
135.04445	1.9
139.11195	1.3
149.02278	4.6
149.05989	1.4
151.07539	2.8
153.05412	1.6
161.05933	2.0
163.03891	50.4
163.07538	2.9
164.04315	1.0
165.05434	8.3
171.08186	0.9
172.05164	1.0
175.07588	1.5
177.05457	82.0
177.08867	1.8
178.05760	2.6
179.07079	1.6
187.07574	2.3
189.05453	2.1
189.09151	1.6
191.07007	27.9
193.08589	1.3
195.06462	2.8
197.09705	1.4
201.05420	1.4
201.09082	2.2
205.08687	2.1
212.08205	1.2
213.09094	1.0
215.06984	1.1
215.10760	2.1
217.08614	3.5
219.10132	1.7
223.05948	1.6
227.10661	4.2
229.08530	2.0
243.10211	1.6
243.13635	1.2
256.03552	3.6
257.15231	5.9
285.14813	5.7
295.16776	1.7
302.21613	1.1
303.15927	1.4
313.18082	1.4
345.16928	22.9
346.17175	1.2
360.09790	1.3
373.20059	100.0
374.20444	6.3
391.21121	47.1
392.21616	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2115
Annotation	Oreskaurin B
Peak:m/z	Relative Intensity
55.05503	4.3
57.03429	0.7
57.07069	0.9
61.78485	0.7
62.14469	0.7
65.03947	0.7
67.05505	7.8
69.03426	100.0
69.07066	1.5
70.03761	0.6
71.04979	0.6
79.05493	3.4
81.07036	4.5
83.04975	12.1
85.06533	0.7
86.76921	0.7
91.05473	6.0
93.07043	3.2
95.04939	3.2
95.08588	4.1
97.06528	5.1
103.05478	1.2
105.07030	6.4
107.04964	1.5
107.08633	2.9
109.06509	0.8
109.10126	0.9
111.08099	0.9
113.06000	80.0
114.06355	2.0
115.07578	1.6
117.07011	3.6
119.04945	1.0
119.08577	6.2
121.06502	0.7
121.10130	5.1
123.08046	1.7
127.07528	0.6
128.06233	1.7
129.07002	2.6
130.07808	0.9
131.08569	6.5
133.06528	1.2
133.10104	1.4
135.08081	0.9
137.09619	0.8
141.07011	0.8
142.07744	1.2
143.08539	5.2
145.06514	0.8
145.10129	6.0
147.08040	1.3
147.11641	1.0
149.02386	1.7
149.05951	0.9
149.09645	1.8
153.06953	1.1
155.08505	3.3
156.09302	1.8
157.10135	4.8
159.11711	4.1
161.09653	0.9
163.03897	9.8
163.07530	0.8
165.05498	1.4
165.06990	0.9
167.08534	2.3
167.10675	11.5
168.09390	1.5
169.10127	3.6
170.10933	0.8
171.08061	1.0
171.11711	3.3
173.09650	1.7
173.13242	14.0
174.13644	1.0
175.11156	0.9
175.14938	1.0
177.05447	16.0
177.09024	1.1
179.08560	2.1
181.10129	2.5
182.10883	1.2
183.11664	1.9
185.13271	3.0
187.07668	0.7
187.11298	0.6
189.09213	0.7
189.12892	0.6
191.07039	4.5
191.08617	1.0
191.10634	1.1
191.14281	0.7
192.09406	0.8
193.10143	2.3
195.06584	1.2
195.11659	1.7
197.13255	3.6
199.11177	0.9
201.09125	0.7
201.12761	1.5
203.14354	2.5
205.10156	1.3
206.10966	0.8
207.11636	1.5
208.12483	0.7
209.13191	0.8
210.07698	0.7
217.08746	0.9
219.11874	0.9
219.13866	2.0
221.13298	1.1
223.14832	1.3
225.12819	1.4
239.14439	0.8
243.13882	0.7
249.16524	1.4
257.15305	1.6
267.14682	0.7
267.17392	3.9
285.15012	0.8
295.17020	1.0
313.18011	4.0
331.19067	1.7
345.16989	4.3
349.20145	1.5
359.12338	2.7
373.20078	21.6
374.20526	1.4
391.21124	22.3
392.21671	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	391.2115
Annotation	Kadangustin H
Peak:m/z	Relative Intensity
55.05416	1.3
65.03823	0.9
67.05373	1.8
67.05708	1.0
69.03294	13.4
69.03716	3.7
69.06965	1.0
77.03824	1.0
79.05357	4.2
79.05843	0.9
81.06914	1.9
81.07314	0.7
81.48167	0.7
83.04830	2.4
83.08507	1.0
87.04314	3.6
91.05334	4.1
93.06892	4.1
95.04806	2.0
95.08434	3.5
96.93427	0.7
97.02790	0.9
97.06430	1.6
97.41153	0.6
98.22688	1.5
103.05311	4.0
105.06867	4.0
105.64040	0.6
107.04784	6.9
107.08425	3.4
109.10027	1.3
113.05833	12.8
115.05328	0.9
115.43549	0.7
117.06841	2.0
119.08420	3.3
121.02680	2.5
121.03491	0.7
121.06345	1.3
121.09971	14.4
121.10904	1.1
123.04273	0.7
127.01440	1.6
129.06897	1.0
131.04761	1.2
131.08464	1.3
133.09932	2.3
135.04218	2.4
135.07941	1.5
135.11552	1.1
137.05875	1.3
139.10992	2.3
143.08408	1.9
145.06331	1.3
145.09984	1.0
149.02321	6.5
149.05836	1.4
151.07375	2.5
153.05299	1.8
155.08409	1.2
157.10065	1.3
159.07872	1.1
159.11563	0.9
161.05850	1.9
163.03900	48.1
163.05161	1.7
163.07510	4.0
164.04114	1.6
165.05486	7.3
167.03221	0.8
167.06944	0.7
167.10526	1.3
169.10033	0.8
171.07948	1.3
173.13106	2.8
175.07474	1.5
177.05466	84.1
177.08694	3.0
178.05632	2.6
179.06853	2.2
181.09872	1.0
183.11607	0.8
186.38885	0.8
187.07381	1.5
187.10947	0.7
189.05295	2.3
189.08942	2.5
191.07014	30.1
192.07237	0.9
193.08478	1.9
195.06508	3.5
197.09505	0.8
197.13052	1.0
199.11130	1.7
201.05301	0.8
201.08925	2.7
203.06882	1.5
207.11639	0.8
211.10994	1.2
212.08202	2.3
215.06906	2.1
215.10590	1.9
217.08600	4.1
219.10004	1.8
223.05893	1.3
227.10696	3.5
229.08472	2.0
239.14200	1.1
243.09995	1.4
243.13716	1.3
249.16330	0.9
252.11525	0.7
253.12067	1.1
257.15366	4.8
267.13760	1.2
267.17020	0.7
285.14865	4.9
295.16983	1.7
313.17920	2.1
331.19177	1.3
345.16965	21.1
346.17093	1.3
373.20074	100.0
374.20422	7.8
391.11615	4.5
391.21136	56.2
392.11469	0.9
392.21777	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	2.9
69.03436	1.7
69.22475	2.2
69.22890	1.0
70.06595	4.6
71.08627	1.6
79.05483	0.7
81.07034	1.0
83.04960	0.8
84.05305	0.6
86.09712	0.9
88.07623	2.1
91.05455	0.7
93.07035	0.5
95.08642	0.7
95.75549	0.5
102.09171	1.5
105.07044	0.7
107.08582	1.0
111.04427	1.1
113.06013	0.8
118.51132	0.5
131.08607	0.7
132.10191	2.0
146.11771	2.3
149.02371	3.4
161.09637	0.6
167.03520	0.6
174.55446	0.5
248.88684	0.5
282.93509	0.6
284.29449	2.6
285.29770	1.5
321.16571	1.0
328.32092	5.5
329.32501	4.6
359.22452	1.4
390.35718	14.7
391.24518	100.0
392.24704	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	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.4
57.07061	12.0
65.03941	4.2
67.05502	19.4
67.05811	3.0
69.03409	8.6
69.07055	13.2
79.05486	28.7
81.07052	46.2
83.04960	8.4
83.08624	7.8
85.06538	4.9
88.07632	3.5
91.05474	37.6
92.25811	2.9
93.07038	43.5
95.04967	42.0
95.08595	27.9
97.06529	7.1
103.05479	5.6
105.07029	70.4
106.07345	3.0
107.08592	26.1
109.06527	11.4
109.10149	11.5
111.08029	3.7
115.05455	4.1
117.07047	18.0
119.04972	4.6
119.08573	59.3
121.06545	13.7
121.10120	22.5
123.08047	6.2
124.03968	16.2
126.99348	2.8
128.06229	11.9
128.12305	3.0
129.06979	15.8
130.07799	8.8
131.08560	30.5
133.10095	25.1
135.08052	7.7
135.11688	6.1
136.02800	3.2
140.70824	2.7
141.06935	13.8
142.07755	22.2
142.36368	3.0
143.08540	40.7
144.09331	4.6
145.06493	3.0
145.10129	50.3
147.08035	8.4
147.11662	9.5
149.02354	10.9
149.09605	5.8
153.06956	2.9
154.07707	4.3
155.08546	17.0
156.09360	14.1
157.10115	39.6
158.10939	3.5
159.08032	11.5
159.11690	28.8
161.09647	11.1
165.07043	8.1
167.08589	10.9
168.09326	5.6
169.10110	22.7
170.10866	13.3
171.08046	13.2
171.11682	39.6
172.12402	3.7
173.09651	8.7
173.13210	18.0
175.11089	4.8
179.08533	11.3
180.09309	7.3
181.10123	18.8
182.10887	10.5
183.11684	26.0
185.09641	8.1
185.13281	19.0
187.14822	8.6
191.14291	6.3
192.09372	5.4
193.10060	16.8
194.10915	8.9
195.11646	24.5
196.12502	6.2
197.09593	5.2
197.13245	19.8
199.11096	4.9
199.14839	10.1
204.09171	3.6
205.10245	6.6
206.10997	7.4
207.11659	15.2
208.12454	10.8
209.09506	4.6
209.13234	19.3
211.11070	4.5
211.14824	11.9
213.12721	5.6
213.16382	5.3
217.15807	4.6
218.10948	5.3
219.11598	7.7
220.12325	6.5
221.13307	16.7
223.14780	13.3
224.15169	4.3
225.12682	4.6
225.16112	3.1
227.14322	6.2
231.11540	4.8
233.13242	9.6
233.15408	5.9
235.14789	10.8
237.16330	12.7
244.12579	3.3
245.13249	6.7
246.13936	4.3
247.14836	6.1
248.15724	3.2
249.16429	7.0
251.14336	5.0
251.17963	8.2
256.26440	4.1
257.26678	3.7
259.14685	4.9
260.15649	3.9
263.14346	3.6
263.17886	7.0
264.18704	3.4
265.19562	3.2
269.19067	3.7
269.22632	3.7
273.16373	3.0
275.17969	6.6
275.64011	3.3
277.19284	5.6
279.17398	5.8
282.19754	5.9
293.18915	3.9
297.18524	10.2
307.20627	5.9
315.19537	66.3
317.18945	4.0
335.19974	6.9
373.25418	14.9
391.26303	100.0
391.36026	6.5
392.25580	14.4
392.31805	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.05509	7.3
57.07071	2.5
65.03957	2.4
67.05504	13.7
68.73515	1.9
69.03418	5.0
69.07063	6.0
69.74578	4.4
69.74973	4.2
79.05479	15.6
80.32998	1.8
81.07054	31.6
83.04990	3.4
83.08621	3.7
85.06550	4.4
91.05466	20.6
93.07040	27.6
95.04968	29.1
95.08597	18.5
97.06527	3.3
98.22759	4.4
105.07022	44.5
107.08604	20.0
109.06522	8.0
109.10155	10.0
115.05462	4.7
117.07037	8.1
119.08570	30.1
119.09421	2.5
121.06506	10.4
121.10132	14.4
123.08103	4.4
128.00000	2.3
128.06252	8.3
129.07007	10.7
130.07767	4.2
131.08569	15.7
133.10107	17.0
135.08075	5.5
135.11700	3.7
141.06999	6.5
142.07819	11.1
143.08565	21.7
144.09390	3.0
145.06523	4.2
145.10130	27.5
147.08066	4.4
147.11713	7.4
149.09622	3.3
153.07016	3.9
155.08563	8.1
156.09331	8.6
157.10152	21.9
159.08076	9.0
159.11711	11.2
161.09647	7.9
161.13303	2.5
165.07034	4.5
167.08629	6.2
168.09361	5.1
169.10107	14.4
170.10826	4.7
171.08087	3.0
171.11687	14.8
173.09647	5.4
173.13234	10.6
175.11127	3.7
179.08548	8.0
180.09355	4.9
181.10146	10.4
182.10965	5.1
183.11688	12.8
184.12550	2.5
185.09659	3.6
185.13258	7.5
191.08640	2.3
192.09354	4.9
193.10146	8.5
194.10841	3.9
195.11687	11.3
196.12520	5.6
197.13210	12.1
198.13947	2.9
199.11076	2.8
201.12730	2.8
205.10252	3.3
206.10963	4.8
207.11684	9.9
208.12498	6.5
209.13258	10.9
210.13837	2.8
211.11200	5.3
211.14865	7.3
213.12752	4.0
213.16266	2.4
217.10150	4.7
218.10892	2.4
219.11673	7.1
220.12506	3.9
221.13234	11.0
223.11351	3.4
223.14861	7.9
225.12865	4.3
230.10745	2.0
231.11699	3.6
233.13211	10.0
234.14069	3.0
235.14789	4.9
237.16353	4.6
243.11703	4.3
244.12335	2.6
247.14861	6.7
249.12709	2.7
249.16351	9.7
251.14445	3.9
261.16321	3.4
263.17905	3.3
267.17267	2.8
268.69763	2.1
269.19037	2.6
273.16321	2.8
275.17911	2.3
279.17529	4.3
281.19110	2.4
282.19879	3.5
291.17398	4.6
293.19208	2.6
297.18512	4.7
302.16528	2.4
307.20737	2.4
335.20038	6.2
345.25797	3.1
355.23996	3.0
372.16574	2.0
373.25168	17.0
391.25558	100.0
392.26331	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	391.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01872	4.9
55.05510	28.9
57.07063	11.2
57.83527	2.6
59.04995	3.8
62.91615	2.9
67.05502	39.0
69.03419	5.4
69.07059	26.5
69.51116	8.3
69.51498	5.6
71.08611	3.9
78.69757	2.8
79.05485	54.6
81.07053	53.5
83.04983	6.1
83.08628	14.5
85.06525	6.6
91.05470	55.8
93.07038	73.2
95.04964	75.6
95.08593	33.7
97.06520	11.5
97.10159	6.8
98.98451	27.9
103.05481	3.8
105.03398	6.4
105.04501	7.2
105.07021	100.0
107.08591	51.1
109.06517	13.3
109.10150	17.3
111.08059	4.4
115.05463	7.7
117.07035	20.6
119.08578	79.1
121.06520	14.9
121.10143	37.7
123.08073	4.7
124.03920	6.1
125.09649	3.7
127.01598	2.9
128.06183	15.4
129.07001	19.7
130.07800	6.5
131.08559	31.8
133.10109	35.9
135.08041	6.9
135.11682	13.5
137.09648	5.0
141.06979	12.0
142.07779	24.5
143.08554	39.6
144.09329	12.1
145.10118	49.3
147.08066	3.9
147.11676	8.1
149.02328	8.2
149.09598	3.7
151.11241	3.0
153.06985	5.1
154.07840	3.3
155.01042	33.0
155.08543	17.6
156.09334	27.4
157.10121	52.7
158.10777	4.4
159.08061	4.6
159.11710	32.9
161.09610	8.5
161.13190	7.2
165.06979	13.7
166.07768	5.2
167.08571	12.8
168.09282	9.3
169.10123	36.4
170.10825	16.9
171.07991	2.9
171.11674	35.0
172.12453	5.9
173.09587	3.9
173.13239	8.3
175.11124	6.0
177.12849	4.0
179.08536	16.0
180.09349	11.9
181.10117	27.4
182.10876	12.9
183.11713	37.2
184.12476	7.5
185.09714	4.3
185.13245	26.7
187.11124	6.4
187.14813	19.4
189.12790	5.1
191.08530	3.9
191.14307	5.6
192.09332	5.4
193.10126	30.6
194.10933	17.0
195.11694	46.9
196.12448	15.3
197.13255	22.6
199.11096	10.7
199.14856	10.0
201.12773	3.8
203.08569	4.7
205.10204	7.5
205.15849	5.7
206.10895	11.8
207.11690	35.4
208.12453	15.9
209.13216	31.6
210.13805	4.4
211.14851	18.0
213.12747	12.3
213.16284	4.2
215.14096	5.2
217.10078	8.4
218.10938	7.5
219.11708	17.8
219.21133	4.7
220.12453	10.7
221.13240	26.8
222.13939	11.8
223.14822	28.2
225.12462	3.7
225.16377	7.8
229.10185	3.5
229.15826	5.6
231.11726	9.1
232.12395	8.1
233.13277	15.7
234.14050	13.2
235.14851	15.9
236.15561	7.1
237.16367	13.2
237.22115	4.5
239.14395	5.8
243.11574	5.7
244.12244	3.4
245.13211	8.7
246.13940	4.0
247.14836	12.6
248.15529	4.4
249.16379	26.1
251.14322	7.9
251.17958	18.0
253.15961	3.8
253.19470	5.7
258.14075	3.4
259.14856	4.0
260.15491	3.6
261.16473	8.0
262.17307	4.9
263.17987	3.7
264.18549	8.0
265.19382	6.1
267.17493	19.5
269.13205	3.9
269.18964	7.2
271.15195	3.5
271.20560	6.1
273.16232	6.7
275.17990	12.7
277.19370	7.3
281.19009	4.5
282.19711	16.6
283.20438	6.6
287.18039	4.8
289.19589	7.7
299.17755	4.9
307.20322	3.8
317.19000	4.9
345.25732	5.3
362.26178	4.0
373.25165	24.7
374.25739	3.5
391.26266	86.4
392.26700	7.1
410.91013	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71547	0.3
53.03940	1.3
55.01869	0.8
55.05513	0.6
56.05034	0.7
57.03440	1.2
58.71787	0.3
61.01146	0.6
61.02924	0.8
63.02378	0.8
65.03933	0.4
68.99786	1.1
69.03426	8.3
69.26203	0.8
69.26604	0.6
70.06583	2.9
71.04987	0.8
72.08146	1.2
72.98471	1.1
73.02906	1.4
77.11079	0.3
78.03461	0.7
79.05474	0.3
80.05013	0.4
81.03415	7.8
83.06126	0.4
84.04519	1.4
84.08129	0.9
85.02898	13.8
86.03245	0.4
86.09700	1.8
87.00821	3.5
87.04474	0.5
88.03985	0.4
90.03431	6.6
91.04222	1.0
91.05481	0.4
97.02899	4.0
99.00008	3.1
99.04443	2.7
102.05542	0.9
102.22028	0.3
103.03966	0.9
103.05454	0.3
104.05324	1.2
105.01859	2.3
109.02881	7.0
115.03928	0.6
116.07085	2.7
117.01879	0.4
118.06503	0.5
120.08092	1.9
126.01061	100.0
126.05486	2.7
127.01987	2.1
127.03907	11.7
128.02634	1.1
128.04195	0.4
129.01825	1.0
130.04948	0.7
136.07571	1.1
140.51224	0.3
144.02100	94.6
145.02548	1.4
145.04958	3.5
146.06282	0.4
147.02884	0.8
147.07626	0.6
148.06027	1.4
149.02310	1.8
151.03882	0.8
159.02870	2.9
174.05820	0.4
181.09587	0.4
182.08014	0.3
183.76535	0.3
184.16945	0.3
186.03105	1.4
187.06004	0.7
189.03882	0.4
192.55359	0.3
210.03030	0.4
213.03992	0.9
219.09763	0.6
230.02094	0.4
230.17543	0.5
231.04996	1.6
231.11372	0.6
238.71527	0.3
248.13901	0.3
264.54129	0.3
270.05240	0.9
288.06323	1.2
292.12927	0.3
300.82547	0.3
306.07394	4.9
374.06339	1.3
392.07349	7.0
392.15356	0.4
393.07861	0.6
393.15121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71547	0.3
53.03940	1.3
55.01869	0.8
55.05513	0.6
56.05034	0.7
57.03440	1.2
58.71787	0.3
61.01146	0.6
61.02924	0.8
63.02378	0.8
65.03933	0.4
68.99786	1.1
69.03426	8.3
69.26203	0.8
69.26604	0.6
70.06583	2.9
71.04987	0.8
72.08146	1.2
72.98471	1.1
73.02906	1.4
77.11079	0.3
78.03461	0.7
79.05474	0.3
80.05013	0.4
81.03415	7.8
83.06126	0.4
84.04519	1.4
84.08129	0.9
85.02898	13.8
86.03245	0.4
86.09700	1.8
87.00821	3.5
87.04474	0.5
88.03985	0.4
90.03431	6.6
91.04222	1.0
91.05481	0.4
97.02899	4.0
99.00008	3.1
99.04443	2.7
102.05542	0.9
102.22028	0.3
103.03966	0.9
103.05454	0.3
104.05324	1.2
105.01859	2.3
109.02881	7.0
115.03928	0.6
116.07085	2.7
117.01879	0.4
118.06503	0.5
120.08092	1.9
126.01061	100.0
126.05486	2.7
127.01987	2.1
127.03907	11.7
128.02634	1.1
128.04195	0.4
129.01825	1.0
130.04948	0.7
136.07571	1.1
140.51224	0.3
144.02100	94.6
145.02548	1.4
145.04958	3.5
146.06282	0.4
147.02884	0.8
147.07626	0.6
148.06027	1.4
149.02310	1.8
151.03882	0.8
159.02870	2.9
174.05820	0.4
181.09587	0.4
182.08014	0.3
183.76535	0.3
184.16945	0.3
186.03105	1.4
187.06004	0.7
189.03882	0.4
192.55359	0.3
210.03030	0.4
213.03992	0.9
219.09763	0.6
230.02094	0.4
230.17543	0.5
231.04996	1.6
231.11372	0.6
238.71527	0.3
248.13901	0.3
264.54129	0.3
270.05240	0.9
288.06323	1.2
292.12927	0.3
300.82547	0.3
306.07394	4.9
374.06339	1.3
392.07349	7.0
392.15356	0.4
393.07861	0.6
393.15121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01878	0.5
57.03430	1.0
57.16920	0.2
61.02914	0.5
62.26976	0.3
63.02368	0.6
65.03934	0.4
68.99799	0.3
69.03426	8.2
69.31232	0.5
69.31622	1.1
70.06572	0.4
71.01344	0.3
71.04990	1.3
72.98460	0.6
73.02909	0.7
78.03450	1.4
80.05019	1.7
81.03413	6.9
82.37562	0.3
85.02897	9.2
86.03206	0.3
87.00825	5.1
87.04460	0.9
88.57565	0.3
90.03439	5.4
91.04214	1.4
95.01653	0.3
96.78992	0.3
97.02888	14.6
98.99995	3.1
99.04444	3.4
100.07581	0.4
101.02355	0.7
103.03928	0.3
105.01866	3.9
107.04980	0.4
107.08575	0.3
109.02864	2.4
115.03943	0.3
119.08602	0.3
121.02773	0.4
126.01061	73.5
126.05502	5.9
127.01348	0.9
127.01840	1.0
127.03913	9.3
128.02625	0.6
128.04347	0.3
142.00502	0.4
144.02103	100.0
145.02466	2.3
145.04959	3.5
149.02307	1.3
149.09604	0.3
163.03941	0.6
167.07069	0.6
171.02884	0.5
171.96283	0.4
172.01581	1.6
186.03273	0.6
187.03668	0.4
195.10146	0.5
212.00996	0.5
213.11243	1.2
230.02032	0.9
231.04977	2.8
244.98613	0.3
254.84862	0.3
260.01837	0.3
270.05292	0.4
288.01462	0.4
288.06403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01886	0.2
52.20831	0.2
53.00288	0.3
54.03449	0.3
67.01841	0.3
68.99773	1.2
69.12128	1.2
78.03453	1.3
79.01837	0.3
92.04962	0.3
92.99751	0.2
94.02928	0.2
95.01328	0.4
98.23508	0.4
106.02902	1.2
112.03928	0.2
120.04514	1.1
130.02834	0.3
132.04454	0.4
134.02376	1.6
136.03891	0.2
137.02344	0.3
138.01807	0.2
148.03935	1.5
149.02260	0.6
152.03482	0.3
160.03986	0.2
162.01848	3.8
164.03419	1.6
168.02948	0.3
168.98389	0.2
176.02084	0.2
176.03432	3.0
178.01312	0.5
180.02884	0.9
188.03357	0.6
190.01329	8.5
191.01749	0.2
192.02869	1.3
204.02911	16.3
205.03175	0.6
215.34570	0.2
216.02861	0.8
218.00818	9.1
219.01169	0.3
220.02396	1.2
232.02385	20.8
233.02704	0.8
234.03943	2.8
244.02379	1.7
246.00278	1.2
260.01883	14.0
261.02191	0.7
264.01370	15.6
265.01605	0.7
278.02902	1.3
288.01352	100.0
289.01691	5.1
306.02399	65.9
307.02704	3.7
349.05850	0.3
350.06387	0.5
374.06818	0.3
392.07608	48.5
393.07962	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	392.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96134	0.3
74.00375	0.2
89.81055	0.3
103.05443	1.2
105.04505	7.0
113.09644	0.3
117.04475	0.8
129.04416	0.5
131.04941	1.6
132.05573	8.8
133.03963	1.1
135.05530	0.9
140.96852	0.2
144.05576	3.8
145.03955	4.3
151.05025	0.9
156.05672	0.3
157.03951	0.4
160.03824	0.5
160.05060	6.2
161.03458	0.7
172.03510	0.3
172.05038	8.6
173.03439	1.9
188.04536	26.6
189.04817	1.0
200.04541	2.6
201.02927	5.3
201.04602	0.5
204.03923	0.4
213.02898	0.4
216.63576	0.2
219.03807	0.2
226.07402	0.2
228.04019	13.5
229.02477	2.0
229.04364	0.4
246.05080	5.6
247.05508	0.3
256.03516	100.0
257.01904	12.0
257.03900	2.4
274.04483	0.5
275.03040	0.5
288.06174	3.2
289.04510	3.2
333.08310	0.3
355.26782	0.3
360.09766	35.5
361.10251	2.7
382.56546	0.3
392.12372	22.8
393.12741	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	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
57.03416	1.7
59.03828	1.3
65.03963	1.5
69.03436	10.7
69.07053	2.1
70.06587	21.6
71.04986	3.4
72.08170	1.5
78.03464	2.5
79.05511	3.0
81.03419	8.0
83.04960	7.2
84.04504	3.0
84.05295	1.8
84.08136	3.0
85.02894	12.2
85.70895	1.7
86.09707	17.0
87.00846	4.5
87.04472	1.8
90.03443	5.3
91.05490	1.7
95.04972	2.4
97.02895	18.7
98.06065	2.0
98.99998	2.6
99.04451	3.2
101.05905	4.9
102.05604	2.5
103.05473	3.0
105.01850	4.4
105.07051	3.6
107.04946	26.0
109.02898	3.9
116.07062	7.4
120.08083	9.8
121.02830	2.0
126.01065	77.4
126.05514	7.3
127.03919	11.5
129.10255	1.5
130.08661	3.8
135.08023	8.8
136.07594	7.2
137.02376	3.4
137.05914	1.8
138.05423	1.6
143.74330	1.4
144.02103	100.0
145.02510	1.6
145.05002	3.3
145.07602	1.6
149.02327	4.6
150.02750	1.6
150.46333	1.6
161.02246	1.7
163.07533	23.3
167.07021	61.5
183.14975	2.5
195.10159	17.3
213.11191	44.7
214.11473	1.6
231.04936	2.9
233.16600	1.6
249.16051	2.7
271.06088	7.5
281.04425	6.6
285.07864	1.8
297.04095	2.3
299.05447	2.9
353.09213	1.5
375.07187	2.8
392.15790	6.0
393.15411	61.7
393.24582	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	393.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64149	0.2
57.13966	0.2
62.95126	0.2
63.01251	0.3
68.99783	0.3
78.03464	0.5
79.67456	0.3
84.08164	0.2
91.05480	0.5
92.03748	0.3
95.02462	0.3
95.04939	0.4
103.05472	1.8
105.04507	17.7
106.02911	0.3
106.04854	0.4
107.06037	0.3
117.04482	2.3
131.04919	3.2
133.03954	3.8
135.05525	2.6
145.03964	20.2
146.04294	0.5
148.03888	0.3
151.05023	0.4
154.76152	0.3
160.02597	0.4
161.03458	15.7
163.05023	12.5
164.05345	0.5
173.03471	4.5
173.05922	0.4
174.03802	0.3
177.03058	0.3
179.04488	0.5
189.02939	8.0
190.03210	0.3
191.04510	3.6
201.02928	8.4
201.95485	0.3
202.03403	0.4
205.02396	0.7
207.04015	0.9
216.02892	1.0
219.03993	13.7
220.04327	0.4
229.02434	20.2
230.02751	0.9
247.03542	2.8
257.01913	100.0
258.02228	5.0
272.06348	0.4
275.02966	1.1
289.04532	31.1
290.04837	1.7
294.39526	0.3
321.04279	0.3
333.08554	0.4
352.11935	0.3
361.08148	10.6
362.08545	0.8
381.78613	0.3
393.10696	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	393.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01152	0.6
66.64716	0.5
69.13389	0.5
69.58292	1.9
85.69858	0.7
91.05481	0.7
95.04961	0.6
103.05507	0.9
105.03380	0.6
112.10667	0.6
121.06504	14.4
131.04932	4.7
134.86523	0.6
143.08405	0.7
153.64207	0.6
169.03967	8.2
171.28513	0.6
177.06941	0.9
185.03432	4.9
185.09497	0.7
188.09108	1.0
189.06941	2.8
195.04436	1.2
199.05045	1.0
204.08131	4.1
205.06442	1.3
213.02954	1.2
216.08058	4.0
216.59523	0.7
230.05884	0.6
230.08253	0.8
231.09155	25.9
232.07536	8.0
232.09616	1.6
242.08336	1.7
243.09166	2.5
244.07516	1.9
245.07271	0.9
247.08650	17.1
258.07913	1.1
259.08694	11.4
260.06885	1.4
271.03534	10.9
271.08475	5.8
273.06577	6.1
274.07257	0.7
275.08133	1.2
286.07269	2.9
287.08121	15.0
288.08517	1.4
299.08185	1.6
300.05261	4.4
311.12701	0.8
314.06845	1.9
315.07599	31.1
316.08051	1.7
328.04715	7.3
329.05112	0.7
329.14020	0.8
332.04306	1.1
343.07111	33.1
344.07333	2.1
361.08148	25.9
362.08362	1.6
375.09744	100.0
376.10052	7.9
392.38339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55603	0.3
69.45646	1.4
75.71355	0.3
78.10040	0.4
90.06470	0.4
98.23424	0.8
105.06999	0.7
106.02692	0.4
120.08114	1.0
136.75873	0.5
185.04303	0.4
198.98933	0.4
227.05193	1.0
271.04269	1.5
289.10522	0.5
307.11594	4.1
315.34323	0.4
331.11578	0.7
349.12552	34.4
350.12836	1.8
386.61273	0.4
393.11539	100.0
394.11923	7.5
405.12601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01854	0.4
70.38116	1.0
72.44431	0.5
86.09695	0.7
88.28410	0.4
90.05176	0.4
105.07033	0.7
110.39112	0.4
120.08092	1.5
170.97839	0.4
178.56400	0.5
227.05286	0.8
271.04300	1.2
307.11404	4.7
317.22311	0.5
331.11615	1.0
349.12561	37.5
350.12820	3.0
393.11530	100.0
394.11899	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17403	0.3
53.08126	0.3
68.05011	1.1
69.03416	0.7
79.05474	0.5
81.07077	0.4
85.02899	0.5
103.05471	0.4
106.91738	0.4
109.02875	0.5
124.05079	0.5
126.01044	0.5
128.00764	4.4
130.04987	0.9
131.04880	1.2
132.05261	0.5
139.66106	0.4
140.03401	1.1
146.01843	0.4
149.04617	0.9
158.96582	0.4
172.06056	1.5
187.03923	0.4
189.06476	0.5
201.06456	1.3
201.96002	0.4
202.07253	1.6
203.08026	1.5
204.08797	7.4
212.09204	0.4
215.08044	1.3
216.08797	100.0
217.09274	4.9
218.10370	4.4
225.03041	0.4
225.06442	10.7
226.07173	3.0
227.08130	0.8
228.08781	1.1
229.09512	1.5
230.10323	9.4
231.07060	7.0
235.36316	0.4
240.08792	54.8
241.09399	3.7
246.09853	6.5
258.09833	2.3
264.65549	0.5
268.08279	4.5
272.11432	3.1
283.09384	1.3
300.10895	54.8
301.11234	2.6
315.11871	1.1
328.39612	0.4
333.13049	2.4
333.62839	0.5
343.11533	2.6
361.12466	5.3
361.16577	0.5
375.09793	0.7
375.14136	5.9
393.15179	24.8
394.15430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00794	0.6
69.03423	2.4
70.06580	2.3
70.58215	1.1
72.08152	1.3
81.03403	2.3
84.08149	2.0
85.02898	2.0
86.09693	3.4
91.05483	0.7
93.07038	0.8
97.02896	2.5
101.05899	1.4
104.69965	0.7
116.07077	0.8
120.08096	6.1
122.02362	0.8
124.03973	3.7
126.01068	4.0
127.01424	2.1
127.03936	3.2
128.00761	6.8
129.10252	0.8
137.02319	1.3
138.05505	1.1
144.02122	6.5
145.02440	3.8
145.04941	1.2
146.01810	6.8
149.02391	0.8
162.09181	1.6
176.37038	0.7
180.10188	0.8
186.07603	0.8
197.06061	1.4
208.09737	2.5
209.63205	0.7
233.16496	1.8
255.06615	2.4
268.08148	2.4
271.06207	1.4
281.04446	8.1
297.08578	1.1
299.05548	1.1
315.09875	1.4
343.13184	1.2
344.11465	1.3
361.05548	4.6
375.07123	6.9
375.11868	2.3
375.16125	1.2
393.15262	81.0
393.24689	100.0
394.11389	0.7
394.15710	4.2
394.25067	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	393.1545
Annotation	(-)-Vermiculine
Peak:m/z	Relative Intensity
53.03932	1.4
55.01870	2.4
61.01147	1.1
71.43347	0.8
79.05490	18.3
81.03432	0.7
81.07053	14.4
83.04975	0.8
91.05459	1.0
93.07028	1.8
95.04959	2.6
95.08608	0.7
97.06544	6.0
103.05478	2.0
105.04469	1.3
105.07005	1.5
107.04951	3.1
113.98994	0.7
115.05428	0.7
117.07010	1.1
121.02876	1.2
121.06514	1.1
123.04511	0.7
124.80627	0.9
125.05979	10.3
131.04915	4.1
131.08537	0.8
133.06479	1.3
141.07001	1.1
145.06528	1.1
145.12099	0.7
147.04453	0.7
149.05992	1.6
151.04015	0.7
151.07530	1.7
157.06450	0.9
159.04404	0.8
159.08054	1.6
161.05978	1.7
163.03873	1.0
163.07516	0.8
165.05573	0.9
169.06509	1.3
173.05962	4.6
175.03899	2.4
175.07497	1.3
176.04611	1.3
177.05493	1.6
179.07039	4.9
181.10052	1.4
183.08054	0.9
185.06038	1.0
187.07498	7.4
189.05458	1.7
191.03311	1.6
191.07031	1.0
192.04233	0.8
193.05016	1.6
193.08698	0.7
195.11681	1.3
197.05949	1.0
197.09773	0.8
199.03946	0.9
199.07545	2.3
201.05518	2.5
201.09035	0.9
202.06221	0.9
203.06886	1.0
204.04156	2.3
204.09332	0.8
205.04962	3.7
207.06485	1.0
209.09621	1.0
211.07484	1.1
215.07066	8.2
216.07692	1.2
217.04996	2.7
217.08545	1.3
219.06474	4.7
219.11646	0.9
223.11223	2.7
224.08382	1.1
225.09154	1.3
229.08566	1.2
231.06543	0.9
232.07298	24.3
233.08028	19.4
233.10172	1.1
237.09174	1.4
237.12720	0.9
239.06871	1.1
245.08081	5.5
249.09105	0.8
250.09744	1.1
251.10654	3.1
252.07893	1.2
257.08044	0.9
263.10794	0.9
265.08841	1.7
265.12256	3.9
269.08151	1.3
269.11722	4.6
270.08945	1.6
275.10519	1.2
279.10095	1.5
281.11673	1.6
283.06320	1.1
283.09692	1.8
283.13351	3.0
293.11777	2.9
295.09790	0.8
295.13181	2.0
296.10458	0.9
297.11160	3.4
299.12744	2.7
311.09149	1.9
311.12781	6.9
315.12222	13.0
321.11279	1.9
329.13861	1.2
339.12238	7.5
345.13074	1.4
349.12637	2.8
357.09009	1.6
357.13293	19.5
358.13672	1.2
375.14359	100.0
376.14685	7.5
393.11115	6.5
393.15933	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	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.7
57.03437	7.4
57.07079	38.6
67.05505	11.6
69.07061	6.2
71.08630	34.8
71.19125	2.5
78.03468	2.5
81.07038	24.5
83.08624	12.7
85.10190	17.2
89.06037	10.1
95.08604	22.8
97.10192	6.9
98.98467	75.0
109.10168	10.9
123.11727	5.9
133.08594	4.4
155.01031	100.0
155.02292	5.4
161.03450	3.3
195.12263	8.3
237.63629	2.4
239.23730	6.7
257.01929	9.2
295.97101	3.5
333.43552	2.7
363.61664	3.2
393.15244	5.1
393.30527	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09336	0.6
69.14712	3.8
72.41628	0.5
73.12409	0.5
73.34579	0.5
80.94796	0.7
101.44144	0.5
107.09765	0.6
112.99956	0.8
118.18586	0.7
125.04289	0.6
137.72234	0.6
173.58292	0.7
195.11752	0.6
315.16461	0.6
353.04764	0.5
370.19693	0.6
375.11938	1.9
375.25256	0.8
393.26047	100.0
394.26318	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	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	1.1
59.51519	0.9
69.43157	4.1
73.89632	1.4
78.95033	1.0
83.82576	0.9
89.94129	0.9
91.01543	0.9
95.23486	0.9
104.05862	0.9
132.75955	1.2
136.20537	1.0
174.65002	1.2
257.02014	2.0
265.01581	1.1
281.70285	1.0
288.01361	3.1
289.01654	3.3
306.02417	1.8
307.02814	4.4
320.57495	1.0
352.88705	1.0
393.07861	3.6
393.26047	100.0
394.26282	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	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.05515	21.7
56.50563	2.8
57.07080	17.0
59.05000	3.5
66.77531	3.3
67.05510	36.5
69.03465	4.0
69.07061	18.8
69.65411	8.7
77.03932	3.2
79.05487	43.4
81.07050	62.2
83.04980	7.6
83.08615	10.2
85.06573	3.4
91.05466	72.5
93.07034	66.8
95.04968	76.6
95.08591	56.6
97.06518	10.0
98.23377	4.6
98.98470	8.2
103.35667	2.8
105.04532	7.5
105.07021	98.6
107.04942	4.6
107.08584	52.5
109.06525	15.6
109.10159	29.9
111.08089	2.8
113.72833	2.6
115.05461	5.7
116.06200	4.1
117.06987	22.2
119.08569	100.0
121.06470	17.8
121.10126	37.1
123.08076	9.3
123.11680	11.1
124.03951	5.1
128.06206	13.4
129.07010	17.9
130.07796	9.4
131.08557	42.9
133.06567	2.8
133.07637	4.4
133.10120	48.6
135.08101	5.6
135.11670	21.6
137.09650	4.1
141.07010	7.5
142.07771	27.3
143.08559	33.8
144.09346	10.0
145.10097	63.1
146.10550	4.7
147.08051	4.9
147.11696	22.5
149.09605	7.6
149.13298	3.8
153.07040	4.5
154.07768	4.1
155.01091	4.1
155.08553	13.2
156.09329	11.7
157.10120	55.9
158.10826	6.9
159.08009	5.3
159.11694	36.7
161.09589	17.4
161.13257	7.7
166.07864	3.1
167.08600	5.8
168.09383	5.6
169.10112	18.9
170.10872	8.3
171.11617	26.5
172.12346	4.9
173.13196	21.4
175.11186	8.5
175.14790	19.8
179.08603	8.4
180.09337	4.2
181.10146	11.6
182.10884	3.2
183.11667	21.8
184.12411	4.0
185.13217	16.2
187.11229	11.4
187.14890	11.4
193.10121	7.4
195.11723	10.2
196.12389	4.3
197.13252	14.6
199.14836	7.8
201.16377	14.0
203.08437	3.0
207.11693	5.3
209.13287	12.4
210.13962	3.3
211.14790	7.9
213.16409	4.9
215.14272	3.4
217.16069	3.4
220.12495	4.2
221.13245	5.5
223.14803	4.6
225.16537	4.9
233.13187	4.6
235.14821	10.5
241.15797	4.1
253.15976	5.5
253.19267	3.6
255.17738	4.2
255.20558	3.8
257.19122	3.3
375.26788	5.9
393.27820	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69017	3.0
55.05508	12.8
58.18149	3.4
67.05495	28.8
69.07059	9.8
79.05486	41.3
81.07051	89.5
82.07398	3.9
82.25787	3.3
83.08595	6.0
91.05470	41.8
93.07031	48.0
94.07372	3.4
95.04958	12.6
95.08602	40.3
97.06524	3.4
97.10141	3.7
105.06352	5.4
105.07024	90.4
106.07319	4.1
107.08591	44.1
109.10144	20.3
115.05479	4.2
117.06995	18.3
119.07748	4.8
119.08569	74.4
121.10138	27.2
123.11726	5.5
124.03970	15.4
127.01559	6.0
128.06197	9.4
129.07042	16.3
130.07794	4.8
131.08548	56.1
133.10110	27.6
135.11688	8.8
141.06952	12.8
142.07773	14.2
143.08534	34.6
144.09268	5.8
145.10115	58.9
147.11661	23.7
149.13277	4.3
153.07010	3.9
154.07771	4.8
155.08551	26.2
156.09274	10.6
157.10124	57.8
158.10805	6.2
159.10381	3.6
159.11693	63.7
161.13249	13.3
165.07013	5.5
167.08572	11.4
168.09331	8.1
169.10104	38.4
171.11688	38.3
172.66711	3.2
173.13235	31.3
175.14781	8.7
179.08521	10.9
180.09305	10.0
181.10114	27.8
182.10828	12.2
183.11676	30.0
185.13257	23.7
187.14870	23.0
192.09264	4.1
193.10118	14.6
194.10886	16.2
195.11670	35.7
196.12334	6.8
197.13216	30.4
199.14815	19.1
201.16293	3.9
206.10867	5.1
207.11647	18.0
208.12462	12.0
209.13242	62.9
210.13902	12.2
211.14769	31.4
212.15491	4.2
213.16330	7.9
220.12372	3.6
221.13271	18.5
222.13910	3.5
223.14781	37.5
224.15437	6.0
225.16304	22.6
233.13347	4.3
234.13855	3.7
235.14796	20.5
236.15471	5.3
237.16330	20.9
238.16768	3.8
239.17935	7.0
241.19482	4.0
247.14766	4.3
249.16315	13.0
250.16998	5.4
251.17876	21.9
253.19418	10.7
262.17142	3.3
263.17776	18.9
265.19507	86.8
266.20078	14.5
270.47302	3.1
277.19467	27.0
278.19855	3.3
279.21005	5.8
283.87686	3.5
291.21259	8.1
305.22781	6.3
333.25735	100.0
334.26038	9.3
338.22220	7.7
351.26489	5.9
393.27979	86.2
394.27811	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	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01871	6.9
55.05520	8.5
56.40917	2.0
57.03429	7.0
60.52262	1.5
61.02927	5.8
68.99780	2.1
69.03428	41.3
69.07070	43.6
70.68568	3.5
71.04989	5.8
73.02915	9.1
81.03420	20.9
81.07064	2.1
85.02902	100.0
87.00826	53.3
95.96817	1.7
97.02892	40.8
99.04446	10.7
105.01864	77.9
108.04465	3.8
109.02865	24.2
109.10068	1.8
111.11717	5.0
117.01855	2.4
119.06053	4.9
127.03913	65.8
129.01810	3.5
133.03970	2.2
140.83060	1.9
145.04948	38.2
147.05507	3.0
159.02893	11.5
168.40778	2.0
175.05057	9.2
176.03403	2.7
189.03917	2.8
203.04503	20.3
204.02769	2.2
213.03958	3.0
227.94728	2.1
231.03899	84.8
237.14952	3.0
248.43373	1.7
249.05855	6.1
259.03488	20.6
315.08630	4.9
335.06525	3.1
335.10229	40.2
363.09689	35.0
395.12311	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	394.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
57.07054	0.6
57.41202	0.3
59.63253	0.3
67.05505	3.9
69.07061	2.6
70.68053	0.5
71.04958	0.8
72.91047	0.3
74.32092	0.4
75.79647	0.4
79.05501	2.0
81.07053	5.3
82.19762	0.4
83.04975	0.3
83.08572	1.5
85.02850	0.4
85.06511	0.4
91.05470	4.1
93.06535	0.4
93.07040	4.9
95.04914	1.1
95.08603	12.5
97.02856	1.4
97.06479	0.5
97.10150	0.4
97.62285	0.4
105.06369	0.5
105.07027	6.3
107.08589	5.0
109.06516	0.7
109.10155	3.7
111.04404	0.6
111.08060	0.6
117.06994	1.9
119.08575	18.6
120.08875	0.5
121.10139	4.1
123.08070	0.4
123.11691	0.7
128.06201	0.7
129.06978	0.9
131.07660	0.5
131.08551	4.1
133.10127	10.3
133.11143	0.6
135.07951	0.4
135.11658	1.9
139.07527	0.6
141.06938	1.1
142.07727	1.3
143.08553	3.4
144.09311	0.5
145.10120	10.0
147.11681	7.9
148.12054	0.3
154.56699	0.3
155.06999	1.7
155.08517	2.4
156.04184	0.3
156.09288	1.4
157.10120	6.7
158.10875	0.7
159.11691	8.0
160.12396	0.6
161.13229	2.9
165.09053	0.4
168.09320	0.7
169.10118	3.2
170.10849	1.1
171.08110	0.4
171.11679	4.6
172.12447	0.4
173.09584	0.6
173.11838	0.6
173.13254	7.1
175.14833	0.8
181.10126	0.8
182.10825	0.4
183.11682	5.7
184.12401	0.7
185.13280	3.1
186.14052	0.4
186.28276	0.3
187.14819	5.4
188.15607	3.4
189.16313	1.1
191.10619	0.5
195.11652	1.2
196.12291	0.6
197.13240	6.0
198.13933	0.6
199.14816	3.8
200.15477	0.3
201.09305	0.4
201.16357	3.3
205.12163	0.9
207.11671	0.3
209.13307	0.9
211.14783	2.0
212.75336	0.4
213.16354	0.5
215.17935	0.9
217.12187	1.7
224.15657	0.7
225.16302	0.7
229.12207	1.4
231.13737	0.3
235.13190	0.5
237.16344	0.9
239.14191	0.6
239.17923	6.6
243.13753	1.5
253.19484	1.2
257.15399	0.7
257.18973	0.6
261.14868	0.7
273.22073	0.4
281.18991	0.9
299.20041	6.8
300.20441	0.5
317.21091	100.0
318.21436	7.1
394.25873	18.8
395.26080	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	395.0433
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
91.05489	2.0
98.18754	0.3
98.23505	0.5
103.05446	0.6
108.02094	0.7
118.04143	2.3
119.04975	1.1
121.02837	0.7
124.01522	0.6
131.04901	1.0
133.54060	0.3
134.04778	0.4
135.05510	0.8
136.01534	2.0
137.02235	0.3
139.00150	0.2
147.04401	0.4
150.03093	0.7
150.96602	0.3
151.00235	0.3
152.01060	2.0
153.01828	2.5
154.02609	1.8
161.03389	0.4
165.01831	0.8
166.99767	0.2
170.02051	0.5
181.01306	2.3
182.02081	1.6
187.03748	0.2
195.02882	0.5
197.04416	2.6
198.00015	0.3
198.01537	1.4
200.03096	0.3
211.29108	0.2
213.03001	0.5
226.06245	0.7
231.04005	0.5
236.04672	0.3
241.02455	0.3
242.05676	0.6
243.06505	0.9
253.04953	2.6
254.05727	6.4
255.06367	0.7
257.04431	0.9
265.05130	0.3
268.07288	0.9
269.04474	1.1
270.05157	0.8
271.05988	16.8
272.06693	2.3
281.04486	1.7
282.05209	6.1
283.05939	4.5
284.06516	0.4
285.03870	0.8
286.04642	0.6
287.09122	4.7
291.06223	0.5
297.03958	1.1
298.10965	0.4
299.05496	20.1
300.06247	20.1
301.06644	1.1
313.07016	1.4
314.07745	0.6
315.08603	100.0
316.08984	6.6
317.09225	0.8
363.09604	0.3
382.35217	0.3
395.04288	14.7
396.04556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0431
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
67.41279	0.3
91.05458	1.6
108.02081	0.9
118.04146	2.4
119.04919	1.1
120.05657	0.7
121.02844	1.2
122.84457	0.3
124.01540	0.6
134.32553	0.3
136.01549	2.2
139.00146	0.5
148.54356	0.4
150.03081	0.8
152.01028	2.3
153.01840	2.5
154.02576	1.3
165.01901	0.4
170.02139	0.6
181.01334	2.8
182.02106	1.8
195.02820	0.5
197.04431	2.2
198.01552	1.2
201.71313	0.3
206.20628	0.4
219.03970	0.5
225.05475	0.7
226.06219	0.7
242.05804	0.6
243.06493	1.6
253.04996	2.5
254.03276	0.6
254.05730	7.0
255.06235	0.8
257.04434	0.5
265.04953	0.4
268.07324	1.1
269.04413	1.4
270.05103	0.7
271.05978	17.3
272.06677	2.1
281.04437	1.7
282.05203	7.1
283.05963	5.2
285.03931	0.8
286.04834	0.6
287.09146	4.2
297.03909	1.3
299.05484	19.9
300.06232	21.2
301.06702	0.9
313.07001	1.3
314.07797	0.7
315.08591	100.0
316.08957	7.2
395.04285	14.5
395.09430	0.7
396.04654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99779	0.3
69.37188	1.2
70.06583	0.4
81.07039	0.3
85.55499	0.2
88.69985	0.2
91.05480	1.8
96.02079	0.3
103.05450	0.3
108.02073	1.0
118.04157	2.3
119.04925	1.2
121.02863	1.0
124.01534	0.6
131.04910	0.9
136.01523	2.1
137.02240	0.4
139.00288	0.6
147.04349	0.3
150.03101	0.7
152.01025	2.2
153.01807	2.0
154.02585	1.6
165.01828	0.5
166.99814	0.3
169.06459	0.4
170.02118	0.7
181.01341	2.3
182.02103	2.5
195.02794	0.7
197.04457	2.9
198.01646	0.9
200.03165	0.4
216.81168	0.3
219.04166	0.3
226.06168	1.1
242.05833	0.8
243.06546	1.2
249.93930	0.3
251.22310	0.3
253.04976	2.5
254.05708	6.2
255.06337	0.7
257.04428	1.7
268.07272	1.0
269.04440	1.2
270.05121	1.0
271.05997	14.1
272.06653	2.9
281.04294	1.4
282.05191	5.8
283.05930	4.2
284.06509	0.3
285.03925	2.7
286.04630	0.9
287.09106	4.6
297.03860	0.6
299.05490	17.1
300.06250	24.7
301.06671	1.3
313.06995	1.2
314.07730	0.9
315.08600	100.0
316.08951	5.6
377.15170	0.4
395.04282	17.5
396.04587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.043
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02531	0.4
78.23520	0.3
91.05470	2.4
105.04433	0.5
106.43555	0.4
107.05981	0.5
108.02061	1.0
118.04138	2.8
119.04970	1.7
119.05981	1.0
121.02820	0.6
124.01494	0.5
133.03883	0.7
136.01563	2.5
139.00224	0.4
147.05505	0.5
150.03044	0.7
152.01059	2.2
153.01794	3.1
154.02568	1.6
165.01750	0.7
169.06360	0.4
170.02019	0.9
175.05051	1.7
176.03448	0.5
176.56058	0.4
178.99844	0.3
181.01360	2.6
182.02054	1.8
195.02823	0.8
197.04443	3.0
198.01524	1.1
203.04509	4.6
204.02892	0.4
225.05417	0.4
226.06245	1.0
231.03990	21.2
236.04674	0.5
242.05669	0.6
243.06439	1.2
253.04921	3.4
254.05731	8.6
255.06323	1.0
257.04422	0.7
259.03448	4.5
265.04871	0.4
267.06454	0.5
268.07336	1.5
269.04349	1.1
270.05078	1.0
271.05994	20.6
272.06604	2.7
281.04391	1.9
282.05188	8.4
283.05902	5.4
284.06415	0.4
285.03818	0.8
286.04520	0.9
287.09119	5.2
291.06445	0.4
297.03836	1.2
299.05478	24.0
300.06238	23.5
301.06628	1.6
313.07059	1.5
314.07785	0.9
315.08594	100.0
316.08926	5.7
335.10272	8.2
336.10846	0.6
363.09732	6.7
395.04312	15.8
395.12085	3.0
396.04465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0431
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
54.59899	0.3
63.39688	0.3
70.05015	0.7
89.24653	0.4
91.05470	2.0
96.91748	0.3
105.04505	0.3
108.02081	0.4
115.77141	0.3
118.04164	2.3
119.04912	1.5
119.06005	0.6
120.05657	0.4
121.02814	0.9
124.01537	0.5
136.01543	1.7
137.02194	0.3
143.34695	0.3
147.05490	0.3
150.03096	0.7
151.00221	0.4
151.10030	0.3
152.01009	1.2
153.01834	2.0
154.02576	1.3
165.01727	0.7
170.02061	0.4
175.05025	0.9
175.55023	0.4
176.03404	0.5
181.01265	2.7
182.02058	1.1
185.69107	0.3
197.04369	2.2
197.05888	0.3
198.01595	1.0
203.04482	2.8
226.06169	0.9
231.04001	9.6
242.05762	0.6
243.06444	1.2
253.05055	2.1
254.05736	5.6
255.06313	0.9
257.04416	0.6
259.03439	2.2
265.04800	0.3
268.07275	1.1
269.04416	0.7
270.05161	1.0
271.05988	15.0
272.06631	2.0
281.04456	1.1
282.05228	6.6
283.05969	4.2
285.03894	0.9
286.04630	0.6
287.09183	4.9
297.03943	0.9
299.05490	18.5
300.06262	21.0
301.06592	1.2
313.07132	1.2
314.07697	0.6
315.08603	100.0
316.08923	6.6
335.10269	5.2
363.09787	3.6
371.95786	0.5
372.99924	0.5
395.04309	14.6
395.11823	1.4
396.04715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08165	6.1
56.05049	6.5
56.96555	10.0
59.28213	5.7
69.03427	6.9
69.56830	11.7
69.57213	13.8
82.06583	7.5
83.45775	6.5
84.96057	8.8
98.97591	33.0
105.04626	6.3
110.97592	7.7
111.30559	6.3
116.98631	15.3
128.98605	14.6
136.06197	19.2
140.98532	6.2
142.23256	6.2
143.00180	11.4
147.04413	6.8
158.99718	12.3
161.01202	6.2
177.00665	8.9
190.10841	33.7
193.85838	6.4
207.03250	11.0
219.01767	21.8
225.04202	7.2
234.13524	28.4
237.02853	23.2
264.97000	6.1
275.10236	11.4
309.06235	30.8
327.07507	100.0
330.85446	7.2
351.69992	6.0
395.07135	30.5
395.11584	81.1
395.16031	15.9
396.16660	10.7
396.21417	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	395.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79319	1.0
62.98245	1.8
70.51447	1.9
74.78075	0.8
76.88773	1.0
152.99011	0.9
164.93056	12.0
191.04045	1.3
191.32428	1.2
191.91862	0.9
250.07489	1.1
253.02928	2.6
310.65826	1.1
395.09470	100.0
396.09769	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	395.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.2
66.04717	0.3
75.02334	0.3
78.43552	0.2
78.95242	0.2
87.64108	0.2
89.03910	3.6
90.04702	0.7
91.05486	1.2
95.87265	0.2
101.02008	0.5
104.04943	0.3
105.07070	0.3
106.06528	0.3
113.03984	0.5
116.04973	27.2
117.05768	10.8
118.06602	1.4
121.06521	0.3
123.03539	0.6
125.01999	0.4
131.08516	0.3
132.04414	1.3
133.05246	0.7
134.06012	9.1
143.03044	0.5
145.02592	45.1
146.02924	1.2
148.07561	25.4
149.07924	0.9
150.74814	0.3
157.07544	0.7
161.04831	0.3
163.03651	2.1
173.03227	11.0
186.05249	100.0
187.05606	3.4
192.06575	3.4
204.06328	2.3
244.06050	0.7
276.08646	0.3
364.11887	0.3
365.06262	0.6
366.69241	0.3
380.08597	0.4
394.07199	0.3
395.10562	1.6
396.14236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02819	0.3
71.90250	0.3
86.07890	0.2
89.03911	4.8
90.04692	0.9
91.05461	0.9
101.02000	0.5
104.05009	0.5
116.04967	29.3
117.05772	11.5
118.06597	1.3
123.03535	0.4
125.02013	0.4
132.04427	1.2
133.05199	0.7
134.06004	7.5
135.06281	0.3
143.03047	0.3
145.02585	46.6
146.02898	1.0
148.07553	25.9
149.07875	0.5
157.07611	0.3
157.61984	0.2
159.04149	0.4
161.04739	0.3
163.03639	1.7
173.03209	10.9
174.03574	0.3
186.05238	100.0
187.05602	2.9
192.06548	3.3
204.06328	2.1
276.48801	0.3
318.12369	0.2
319.10406	0.3
375.23383	0.3
395.11053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61271	0.7
60.05702	0.6
66.04728	0.7
67.05493	1.7
71.43937	1.1
79.05479	0.7
81.07034	2.0
86.29661	0.7
86.88275	0.6
89.03896	4.2
91.05461	2.0
93.07054	1.0
95.08588	1.4
99.69281	0.7
104.04978	0.9
104.39794	0.7
105.03403	1.0
105.07014	2.3
107.08562	2.2
109.10120	1.2
109.84457	0.7
116.04158	1.4
116.04966	24.6
117.05787	9.0
118.06514	1.0
119.08569	2.2
121.10109	1.1
131.08574	0.9
132.04474	1.2
133.10107	1.1
134.06003	9.0
145.02582	38.8
145.10141	0.9
148.07558	22.7
149.05971	3.0
157.10069	1.3
159.11679	1.3
161.13315	1.1
163.03639	2.4
169.10106	1.2
173.03198	11.3
173.13153	0.8
186.05238	100.0
187.05544	2.7
187.14697	0.8
192.06586	2.8
199.14763	0.9
203.04465	1.4
204.06317	2.2
211.14795	0.9
213.16121	0.8
227.17802	0.9
231.03989	6.1
259.03577	1.4
267.21204	0.8
330.09177	0.8
335.10205	2.8
335.27274	2.2
363.09534	2.1
395.12164	1.3
395.29282	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12860	0.4
67.75779	0.4
69.53001	1.9
98.22752	0.9
99.45964	0.4
105.04489	2.4
107.06073	0.6
119.06053	4.1
121.03914	0.7
133.03984	2.9
147.05557	2.6
151.05016	1.2
175.05025	7.0
176.03433	2.8
203.04515	21.8
204.02887	1.9
204.04681	0.5
231.03998	100.0
232.04271	2.7
241.86314	0.5
249.05075	1.7
259.03510	23.1
260.03879	1.5
277.04651	0.6
291.05975	0.6
293.09189	0.6
326.33963	0.4
335.10239	43.1
336.10507	3.4
363.09738	33.9
364.10141	1.6
395.12375	17.3
396.12720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61115	1.6
70.06596	2.7
72.08165	0.8
81.72091	0.5
84.08131	1.3
85.02895	0.5
96.36673	0.4
101.05839	0.8
119.04988	0.6
124.03996	0.5
134.19583	0.5
140.07033	0.8
146.89090	0.5
147.04376	1.1
185.04211	6.4
217.04773	1.7
232.07074	13.2
233.07808	12.0
237.01317	0.9
256.08203	1.0
275.10413	0.7
293.47864	0.5
364.11285	2.0
365.12079	0.7
392.24997	0.5
395.13089	100.0
396.13290	7.1
396.17731	0.9
409.79309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03725	0.9
62.43094	0.7
69.80596	2.5
72.91662	0.8
84.04498	0.8
84.08154	0.8
84.37797	0.8
97.02848	1.1
101.05876	23.5
109.02898	0.8
112.05077	0.7
118.67886	0.7
120.08086	1.3
122.02719	1.1
127.03918	1.0
130.04959	0.7
141.01143	1.5
147.05156	6.1
169.00545	0.9
203.73625	0.8
207.02222	3.2
242.37434	0.7
271.62329	0.8
335.09894	0.7
365.16440	0.9
394.26099	1.4
395.13113	100.0
396.13470	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	395.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.6
57.03429	6.9
61.02917	6.1
68.99790	14.4
69.03439	12.3
72.45876	1.8
73.02924	4.9
79.05476	3.1
81.03410	14.8
83.04983	2.9
85.02897	41.9
87.00821	25.3
89.03931	2.6
91.05496	5.4
95.04967	5.1
97.02906	5.9
99.04447	3.8
100.11296	1.9
103.03941	15.0
103.05466	8.5
105.01868	5.6
105.07049	4.0
111.04440	2.9
115.05439	14.7
117.03371	7.8
117.07010	19.8
119.04941	2.5
119.08639	2.4
121.06551	2.1
123.04424	8.0
128.06213	13.8
129.01825	13.3
129.07005	27.3
131.04907	22.7
131.08556	5.7
137.05959	40.2
141.06953	13.3
143.04926	8.6
143.08569	3.9
144.05684	12.3
145.02846	16.3
145.06482	22.0
147.02869	9.8
147.04276	5.1
147.07994	2.4
148.05208	4.4
149.06009	4.7
151.07527	5.1
152.06226	8.5
153.06972	8.7
155.06093	3.2
157.06491	25.0
157.10097	2.1
158.07254	4.9
159.08099	5.4
160.05197	29.3
161.05951	8.5
162.06743	2.7
163.07587	11.8
163.58852	2.1
165.05690	2.5
165.07028	8.8
165.09114	2.3
166.07762	2.9
167.08539	14.9
168.05756	2.2
169.06490	13.3
170.07243	4.4
171.02971	3.6
171.08017	9.7
172.05147	10.0
173.05913	2.7
174.06770	15.9
175.07538	92.8
176.08006	2.7
177.05484	18.8
177.06866	2.9
177.09093	35.1
181.06493	10.7
183.08022	3.0
184.08633	3.2
185.09648	6.5
186.06728	7.9
187.07529	100.0
188.07988	5.0
189.03976	6.5
189.09105	50.9
190.06171	2.4
190.09399	2.6
191.07021	6.8
191.10727	8.1
194.07352	2.4
195.08015	28.1
196.08702	2.3
197.05971	6.2
198.06743	2.7
199.07491	11.2
200.08174	2.1
201.09093	48.5
203.10619	11.6
205.08577	4.0
211.07573	5.5
212.08337	8.3
213.09106	19.6
214.06314	3.3
215.10646	3.1
216.07799	4.3
217.08627	7.0
217.12343	2.2
219.10124	4.8
223.07523	10.1
225.08997	3.4
227.10663	41.3
229.08594	10.2
231.10144	20.9
237.09128	8.3
240.07793	3.5
243.10214	4.1
245.11769	8.8
255.10149	45.5
256.10626	2.4
259.05988	6.4
273.11160	26.1
291.12286	6.4
349.10562	2.3
359.11023	4.4
377.09927	3.8
387.54175	2.2
395.11481	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	395.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01888	0.2
55.02963	0.3
56.03768	1.9
57.03432	0.3
59.03738	3.4
59.05002	3.3
69.03423	4.0
70.01366	0.4
70.01724	0.4
70.06585	0.5
71.04976	0.5
73.02906	0.3
73.04034	1.4
73.13188	0.2
76.90951	0.2
78.49864	0.2
81.03409	2.0
84.05589	0.3
84.08142	0.7
85.02901	4.8
86.09675	0.4
87.04458	2.5
89.06001	0.2
93.15876	0.2
97.02881	6.7
99.04458	0.6
101.05872	100.0
102.05572	0.4
102.06199	1.0
105.05496	1.3
109.02874	1.6
110.07162	0.3
112.05080	0.8
117.05338	0.8
120.08112	0.4
121.08402	0.3
127.03905	5.5
129.10260	0.3
131.05605	0.3
138.35423	0.2
145.04945	3.0
147.05119	36.2
148.05460	0.6
173.37860	0.2
183.06555	0.2
213.07556	0.3
231.08540	1.5
249.09634	0.8
266.14404	0.2
275.10141	0.3
308.34348	0.2
309.10342	6.4
349.14838	0.6
395.13708	1.4
395.22601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.6
51.06077	0.8
53.03933	3.0
55.05506	4.3
57.07074	1.0
57.56258	0.8
60.91554	0.8
65.03922	1.1
66.09445	0.8
67.05492	9.5
69.07061	5.4
69.52595	1.7
69.52999	2.6
77.03906	1.5
79.05484	16.7
81.07047	28.2
83.08603	3.7
85.79410	0.8
91.05466	25.9
93.07032	33.2
94.07365	0.9
95.04955	12.2
95.08591	15.6
97.10146	1.3
103.05450	12.7
105.04559	4.3
105.07018	100.0
106.07353	3.5
107.04942	2.2
107.08578	19.5
109.06564	0.9
109.10145	8.7
115.05445	1.2
117.07001	6.0
119.04920	3.6
119.08562	23.8
120.08917	1.6
121.06490	66.2
121.10127	10.5
121.70074	0.9
122.06835	2.7
123.08062	1.0
123.11684	3.4
127.01546	29.2
128.06189	1.5
129.07002	5.7
130.07718	0.9
131.08559	14.0
133.10100	14.7
135.11682	3.9
141.06955	1.8
142.07745	3.5
142.24017	0.9
143.08574	8.4
144.09253	2.1
145.06595	0.8
145.10109	14.7
147.08026	3.4
147.11676	10.5
149.09575	2.1
149.13239	2.6
152.62932	1.0
153.03105	2.7
155.08495	5.1
156.09299	2.4
157.10101	14.0
158.10724	0.9
159.11664	14.6
161.09198	0.9
161.13242	9.2
163.14799	1.4
165.07007	1.3
165.09091	24.8
166.07898	0.9
166.09381	1.9
167.08504	1.4
169.10117	8.8
170.10921	1.1
171.11649	10.1
172.12395	1.5
173.13243	10.9
175.14748	5.3
181.10117	2.6
182.10851	2.0
183.11679	5.6
185.13229	7.0
187.14810	5.8
189.16309	2.1
193.10118	1.5
195.11618	4.2
196.12448	2.0
197.13222	6.9
199.14804	6.9
201.16396	5.3
209.13255	4.2
210.14003	1.1
211.14789	7.7
213.16357	8.5
215.17990	2.4
223.11130	1.5
223.14865	4.0
225.16289	4.8
227.17828	4.2
233.04472	1.0
237.16394	2.1
239.17973	4.3
241.19452	3.0
251.17902	2.5
253.19463	3.3
255.21051	2.3
265.19473	2.8
267.21066	4.5
269.15359	2.9
279.21103	5.6
291.09833	7.2
293.22540	3.0
307.24210	1.5
335.27313	24.1
336.19034	1.2
336.27597	3.0
353.28369	1.6
395.11093	1.6
395.29263	27.7
396.29172	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	395.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	20.9
67.05489	31.7
79.05488	49.1
81.07059	86.1
91.05473	56.3
93.07035	61.9
95.08591	67.8
104.61022	13.4
105.07030	99.1
106.71566	13.5
107.08592	87.7
109.10121	23.8
115.58254	12.7
119.08575	100.0
121.10168	40.9
129.07024	17.8
130.02963	11.9
131.08560	56.0
133.10132	52.4
135.11623	16.5
139.52199	13.3
142.07782	13.1
143.08559	32.9
145.10127	57.3
147.11685	35.3
157.10069	33.4
159.11697	60.3
161.13280	27.5
171.11687	20.1
173.13235	48.1
175.14801	31.6
183.11745	17.2
185.13156	20.3
195.11653	16.1
199.14844	21.6
201.16434	19.2
209.13326	17.7
211.14873	36.9
213.16405	36.7
227.17897	15.7
241.19467	16.9
253.19688	19.5
258.47363	15.7
305.00430	15.1
307.24066	14.6
323.53406	14.4
335.27325	83.7
359.72015	15.4
395.29431	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.4
53.03947	6.2
55.01871	3.8
55.05513	3.3
57.03424	2.0
63.79167	0.6
65.03934	2.3
67.05495	3.5
68.99786	9.1
69.03416	2.0
70.06587	1.6
71.01350	1.0
71.43267	0.9
72.04499	1.9
72.08152	0.9
73.02943	0.6
77.03918	1.6
79.01851	1.3
79.05489	68.8
80.04992	1.4
80.05795	1.0
81.03410	16.0
81.07037	0.8
82.03741	0.8
83.01346	4.7
83.04989	0.9
85.02896	2.8
87.00822	1.4
91.05489	4.2
93.03402	1.2
93.07035	0.8
95.04958	11.7
96.04472	1.5
97.02891	8.4
98.06046	2.0
99.04449	4.3
100.03967	3.6
100.07641	1.0
101.02377	2.4
102.05534	1.0
103.05464	23.3
105.03408	4.8
105.04508	2.7
105.07026	6.4
107.01315	3.3
107.04948	100.0
108.05270	2.0
109.02880	5.0
111.00804	2.0
111.04459	1.9
115.05427	3.4
117.07010	2.9
121.02865	4.1
121.06505	3.4
122.06848	0.9
123.04427	21.5
124.03938	6.9
125.02348	24.3
126.05506	2.7
127.03891	2.3
128.03465	0.9
128.07050	1.0
129.01833	1.1
129.07066	0.7
131.04918	47.4
132.05290	1.4
133.02827	1.0
133.06454	1.3
136.03972	0.8
139.03865	1.9
141.07039	1.0
143.04941	0.9
145.06483	2.3
147.04398	12.8
149.02338	11.6
149.05942	1.1
151.03905	16.1
152.01660	1.2
152.03400	3.7
153.01825	9.4
155.03433	1.1
155.04869	1.2
157.01228	1.1
161.05948	1.6
165.05618	0.7
165.07042	1.0
167.03401	15.3
167.04805	0.9
168.06555	2.0
169.05060	1.7
170.04451	1.7
171.02884	2.0
171.04335	1.2
173.05942	4.3
177.01819	21.5
178.05002	1.4
178.07785	0.8
179.03407	11.3
179.08559	3.0
181.01318	3.4
187.07573	1.0
188.08304	8.3
189.04024	1.0
189.05431	0.8
189.08904	0.8
194.04527	3.4
195.02879	38.7
195.08063	1.1
196.03279	0.8
196.06059	4.5
205.01285	9.4
207.08029	3.4
211.07574	1.0
212.05585	2.6
213.03931	5.1
214.07332	0.8
222.03876	4.9
223.02359	7.7
223.07407	0.9
225.09160	1.4
233.12547	0.9
240.05022	8.0
241.03413	0.9
249.04037	1.0
251.07056	8.7
252.07494	1.0
253.08627	2.6
257.08224	1.0
258.06137	1.7
269.08072	0.9
279.06558	5.4
281.08029	12.7
281.96396	0.8
297.07477	1.1
298.10785	1.9
308.09283	0.9
309.07495	4.5
326.10196	1.7
343.07950	0.8
344.11084	0.8
362.12442	0.9
396.12796	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	396.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03940	1.3
55.01857	0.4
55.05510	3.6
56.39063	0.3
57.03434	0.4
57.07068	0.3
58.06591	0.4
67.05503	0.7
69.03425	3.9
69.07066	21.9
69.37614	0.9
69.38000	0.8
70.07384	0.4
71.05002	0.4
73.02880	0.7
78.03452	7.0
79.04234	0.3
79.05511	0.5
80.05022	3.2
80.32849	0.3
81.03415	6.4
81.07038	0.3
83.08591	0.3
85.02898	3.7
87.04462	0.4
95.08630	0.3
96.04489	4.0
97.02892	2.7
99.04434	2.1
100.11250	0.7
101.38579	0.3
106.02912	27.6
107.03233	0.6
109.02866	5.3
111.11728	0.5
124.03946	100.0
125.04283	1.8
127.03906	3.9
145.04915	0.5
196.05962	0.6
208.06064	0.4
212.16382	1.2
232.06067	0.6
242.14583	0.3
250.07092	15.6
251.07407	0.5
267.29202	0.3
268.08139	11.4
269.08548	0.5
273.94455	0.3
286.09192	13.1
287.09558	0.7
295.19891	0.4
378.18930	0.4
396.09662	0.5
396.20230	9.1
396.31229	1.5
397.20352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99562	1.2
53.03940	5.2
55.01861	5.0
55.96287	1.2
57.03434	4.9
57.07069	1.2
61.02920	4.4
68.99795	3.0
69.03423	38.0
69.32494	6.2
69.41370	1.3
71.04977	4.1
73.02914	4.9
80.74742	1.3
81.03412	23.2
82.03761	1.2
85.02900	100.0
87.00827	51.5
92.11971	1.3
97.02252	2.3
97.02884	30.2
97.03488	2.1
99.04453	8.9
102.09184	1.2
105.01859	72.4
108.04461	1.6
109.02868	30.3
115.03938	1.6
117.01871	2.0
127.01573	9.8
127.03906	66.1
129.01801	2.4
145.04945	32.2
146.05350	1.6
147.02896	1.7
154.31525	1.2
159.02876	10.8
187.05949	1.3
189.03917	3.2
206.59261	1.1
213.03899	2.2
217.25427	1.1
231.04962	18.3
249.06097	5.0
396.30954	1.9
397.18155	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	396.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94387	3.0
55.05497	4.2
57.07069	23.5
71.08624	30.1
73.06552	3.0
76.75806	3.2
83.08610	6.4
83.13163	3.2
85.10184	24.9
85.45057	3.0
89.06028	100.0
94.98331	2.9
97.10133	2.9
133.08582	42.5
147.04433	3.2
151.09641	5.3
170.32288	2.9
177.11208	10.0
194.04520	8.8
195.12257	4.3
198.78851	3.2
229.21646	4.0
231.04042	6.5
232.04356	9.7
239.14845	19.4
261.20874	3.8
336.10541	7.7
379.30466	22.4
396.12030	4.6
396.34329	12.4
405.52106	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	397.0224
Annotation	6-Methoxykaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
55.57358	0.2
56.02617	0.2
59.14644	0.2
68.99763	0.5
69.58132	0.8
79.05457	0.3
84.02092	0.6
91.37569	0.2
99.00784	0.4
107.04939	2.2
112.01566	1.2
121.02830	0.8
127.00218	0.5
134.03598	1.1
135.04388	1.4
137.02310	1.0
140.01059	2.2
153.01772	0.4
154.02669	0.2
160.29314	0.3
168.00540	12.0
169.01268	2.3
169.11075	0.2
183.02878	15.0
184.03238	0.5
184.05096	0.3
186.01585	4.6
200.04579	0.3
245.04492	0.4
256.03531	0.3
259.06064	0.7
261.07825	0.3
274.04733	1.6
284.03128	0.9
285.03952	0.8
287.05469	0.4
288.06229	0.9
289.06894	0.4
298.04782	1.1
301.03418	1.3
302.04190	24.9
303.04605	1.1
315.04858	0.4
316.05728	2.1
317.06531	100.0
318.06866	6.0
394.42386	0.3
397.02206	17.0
398.02521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0223
Annotation	6-Methoxykaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
50.32765	0.4
55.01870	0.5
69.35587	0.4
69.71355	1.7
91.05495	0.5
98.22676	0.5
99.00826	0.6
107.04955	2.4
108.02099	0.9
112.01579	1.1
127.00269	0.6
131.04922	0.7
134.03647	1.9
135.04396	1.2
136.01556	0.8
137.02307	1.1
140.01036	2.1
152.01025	0.4
153.01816	1.1
153.39026	0.4
154.02611	0.7
168.00533	9.3
169.01299	2.3
178.04968	0.6
181.01390	0.4
183.02879	14.2
184.03195	0.5
186.01619	4.4
206.04390	0.8
229.05026	0.4
260.49255	0.4
270.05206	1.4
274.04712	1.4
284.03140	0.8
285.03876	0.9
287.05392	1.9
298.04678	4.9
299.05371	1.0
300.06525	0.4
301.03354	1.2
302.04169	24.4
303.04578	1.4
315.04926	1.7
316.05774	3.5
317.06522	100.0
318.06808	6.7
318.10199	0.6
352.11810	1.4
397.02219	7.5
403.99774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
69.27399	4.1
69.27804	2.9
70.06598	3.3
84.08151	1.3
85.02895	2.7
86.09688	1.8
89.94949	1.3
91.05460	1.7
94.15038	1.3
97.02889	1.7
98.22746	2.1
110.07198	1.8
121.02881	5.1
127.03874	1.9
132.04472	5.8
163.03951	1.6
177.01564	2.6
192.03931	18.2
193.04720	4.5
213.12215	1.6
227.05307	3.2
235.09489	1.5
273.03329	1.9
345.35019	1.4
366.09464	3.0
367.09912	1.7
369.00998	1.3
379.02121	6.1
397.10928	100.0
398.11194	5.9
411.18610	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	397.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82921	0.6
69.85481	2.1
70.06580	1.9
85.02890	1.0
88.85720	0.6
97.02803	0.7
98.22806	0.8
103.73820	0.9
110.07146	1.0
121.02853	4.9
127.03870	0.7
132.04453	4.1
156.96077	0.7
177.01537	2.4
192.03912	22.2
193.04700	6.3
227.05173	3.9
234.08521	2.1
235.09264	1.3
261.03979	1.5
273.03079	1.0
326.33191	0.7
366.09106	2.5
367.09674	2.0
379.02014	1.6
397.10794	100.0
398.11240	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	397.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58461	0.8
68.79153	0.7
80.94800	0.7
91.05476	1.0
94.02921	2.3
95.01340	0.8
96.04502	1.4
103.05446	1.9
107.08612	1.1
116.04931	0.8
119.08566	2.1
131.04909	3.0
131.54433	0.7
142.06511	0.7
143.06026	1.5
144.04442	46.0
154.06529	2.9
155.06116	1.1
181.07582	4.8
183.05443	1.0
190.15964	0.8
195.05560	1.5
209.07109	6.1
216.02908	0.8
234.03972	0.9
237.06589	12.2
265.06076	31.1
266.06308	1.8
293.05557	94.2
294.05817	4.5
308.54263	0.9
311.06610	2.2
317.06540	1.1
338.10062	1.5
355.10544	1.3
397.11801	100.0
398.12103	8.7
412.25223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1469
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
53.52055	0.4
66.86610	0.4
69.03442	0.6
70.02410	1.1
70.06591	1.6
71.81442	0.4
74.98782	0.4
79.32978	0.4
85.02890	0.7
86.09727	0.6
87.00874	0.4
97.02888	0.8
98.23390	0.6
110.07212	0.5
121.02885	0.9
127.03896	0.8
132.04439	4.3
145.90660	0.3
175.07640	0.5
185.04198	2.9
215.13501	0.4
219.06319	1.5
234.08603	7.5
235.05803	0.8
235.09378	10.0
235.11575	0.7
236.09723	0.7
273.03177	0.5
366.12799	0.6
367.13580	0.8
379.02084	1.6
397.14703	100.0
398.14996	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	397.1858
Annotation	Gibberellin A41
Peak:m/z	Relative Intensity
57.77410	9.2
59.02503	9.7
61.05468	9.8
62.55178	10.6
67.19660	12.0
69.03432	14.5
69.07069	12.8
69.28949	11.9
71.40917	12.2
79.05450	19.5
81.07042	21.8
91.05470	28.0
91.81219	10.8
93.07030	20.5
97.02893	17.3
97.30662	10.7
103.47235	10.8
105.07002	29.7
107.08600	25.8
109.06460	12.2
109.10117	12.0
112.03960	15.2
117.07010	24.6
119.08549	19.1
121.10099	13.7
125.02388	13.5
129.06992	17.3
131.08560	24.1
136.06186	25.4
137.06013	20.9
137.92038	11.2
138.09291	9.9
140.03421	26.3
141.06952	10.4
143.08542	26.1
145.10126	10.4
147.08150	11.2
151.03802	11.7
155.08575	25.2
156.09312	15.2
157.10118	34.7
163.03900	14.2
167.08531	16.3
169.10083	21.3
171.11632	20.1
173.13249	13.4
181.10033	19.3
185.13200	64.3
195.11687	22.0
197.09586	12.9
209.13182	12.8
213.09013	13.1
218.36749	11.0
223.14813	14.9
225.16289	14.1
251.14299	28.4
263.16873	13.3
269.15411	55.3
279.13773	25.1
293.07376	12.5
297.14792	100.0
315.15826	80.0
316.16425	11.6
325.14307	64.8
343.15378	76.6
361.16489	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	10.0
57.07079	4.2
59.64059	3.8
59.76677	3.3
62.26853	3.3
65.90729	3.5
67.05490	29.7
69.03419	8.1
69.07048	16.2
69.18678	15.8
69.19092	5.6
77.03920	5.0
79.05481	25.4
81.07052	37.5
85.06508	5.6
91.05476	52.7
92.05829	8.0
93.07023	38.5
95.04939	10.7
95.08591	31.5
96.05721	5.6
97.02856	7.8
98.23463	6.0
99.04443	17.6
102.73367	3.9
105.07011	60.0
107.08578	52.2
109.06516	9.3
109.10143	36.0
110.10501	4.1
111.04419	10.2
117.07006	25.8
119.08566	66.7
121.06494	8.5
121.10111	18.6
123.04417	14.9
127.03890	64.5
129.06969	12.6
130.07809	5.4
131.08562	45.7
133.10107	40.1
133.11008	4.9
135.08049	9.5
135.11687	11.4
137.06018	5.8
141.06993	5.1
142.07738	7.2
142.59000	4.0
143.08554	21.2
145.10110	70.8
147.11662	31.8
151.11154	6.2
155.06998	4.8
155.08528	5.3
157.10107	29.5
157.21957	4.2
158.10896	4.8
159.08031	7.3
159.11678	60.0
161.13235	14.3
163.07500	6.3
165.09146	6.6
169.10104	8.5
171.11670	16.5
172.12283	4.1
173.09563	4.7
173.13220	41.2
175.14816	8.6
177.09093	6.2
181.10168	5.9
183.11726	6.2
185.13271	15.6
187.14799	39.7
189.16357	24.1
195.10089	7.1
197.13295	6.1
199.14828	32.2
201.16364	100.0
202.16789	5.4
211.14792	8.1
213.16370	13.0
227.17969	6.0
241.19493	24.3
242.20143	4.7
249.16542	5.8
255.21008	55.0
257.15280	6.4
267.20883	7.5
365.24664	22.1
397.27280	54.6
398.27759	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	397.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82860	2.1
52.24713	1.9
53.03935	2.2
53.44994	2.1
55.01862	3.5
55.05496	9.3
57.07062	3.3
59.04983	2.6
66.35039	1.9
67.05499	21.0
69.03408	8.8
69.07054	11.1
71.43465	2.0
79.05495	18.9
81.07051	34.1
83.08592	3.3
85.06537	4.3
91.05465	27.8
93.07042	30.4
95.04951	8.5
95.08601	31.4
96.05733	4.2
97.02876	6.7
97.10146	3.1
99.04446	10.7
99.08011	1.9
105.07024	49.2
107.08588	36.7
109.06506	5.4
109.10145	28.1
111.04423	9.2
115.05416	3.5
117.07003	23.0
119.07739	3.6
119.08562	43.3
121.06496	2.6
121.10133	20.0
123.04401	16.4
123.08047	4.8
123.11768	2.3
127.03900	50.9
128.06244	3.2
129.06999	10.8
130.07751	6.1
131.08549	41.0
133.06433	3.1
133.10117	36.9
134.10394	2.4
135.08025	9.3
135.11697	7.2
136.08861	2.1
137.05936	4.0
141.06970	2.6
142.07753	3.7
143.08537	17.4
144.09322	5.8
145.06445	2.2
145.10115	67.3
147.08026	5.7
147.11674	19.8
149.09579	4.4
149.13283	2.4
151.07532	4.1
151.11163	2.6
155.07018	4.0
155.08511	5.3
156.09293	4.8
157.10101	31.4
158.10796	4.4
159.08046	4.1
159.11684	58.2
161.13217	11.8
163.07472	5.4
163.14832	2.2
165.08998	3.3
169.10110	5.9
170.10823	2.7
171.11679	20.3
172.12323	2.7
173.13264	33.2
175.14787	9.4
177.09052	5.8
179.08522	2.6
181.10068	3.4
183.11659	5.5
185.13219	16.3
186.13837	4.3
187.14804	33.1
188.15349	3.1
189.09166	2.1
189.16328	13.4
191.10675	3.3
195.09991	4.6
195.11659	3.5
197.13239	7.1
199.14824	22.1
201.16368	100.0
202.16820	6.1
209.13200	2.7
211.14760	5.8
213.16316	9.0
215.17850	2.9
215.30794	2.3
217.12268	2.3
225.16408	3.1
227.17856	3.6
234.10527	2.1
241.19458	16.6
242.20255	3.2
251.17807	2.4
253.19431	3.5
255.21045	46.1
256.21289	3.7
257.15363	5.0
265.15820	2.5
277.19406	2.7
300.06219	8.0
319.23911	3.8
337.28040	2.4
347.23654	5.6
348.92639	2.3
356.30066	2.3
365.24707	23.4
397.08383	2.0
397.12778	12.7
397.27219	52.0
398.27518	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	397.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.4
52.89709	1.5
53.03955	1.7
55.05515	12.1
57.07066	4.7
67.05501	17.0
69.07068	11.4
70.67824	1.6
71.08623	1.8
79.05486	18.6
81.07051	50.9
83.08619	6.1
91.05466	15.3
93.07039	32.0
95.04960	3.9
95.08592	33.6
95.09196	1.3
97.10160	3.7
97.62653	1.4
105.07022	36.8
107.08589	30.6
109.06461	1.9
109.10156	17.3
113.04949	1.2
117.07021	9.1
119.08573	39.1
121.06483	2.3
121.10139	18.6
123.11699	5.5
127.03936	2.4
128.06209	2.9
129.07013	8.2
130.07719	2.2
131.08563	19.4
133.10118	20.5
135.11674	8.7
137.13231	2.4
141.07005	3.4
142.07779	5.2
143.08562	19.9
144.09294	4.5
145.10120	34.3
146.10823	1.5
147.11678	17.1
149.13249	6.4
155.08551	11.0
156.09370	6.4
157.10106	28.9
158.10831	2.1
159.11679	34.5
160.12018	1.4
161.13281	11.6
163.14839	4.3
168.09305	3.1
169.10117	15.3
169.11453	1.6
170.10883	3.1
171.11681	21.9
172.12151	1.7
173.13240	22.3
175.14815	7.1
182.10846	1.5
183.11687	14.3
184.12483	1.6
185.13228	19.6
187.14804	10.3
189.16260	2.9
195.11745	3.3
196.12486	1.8
197.13257	16.5
198.13834	1.6
199.14772	16.4
201.16354	10.8
209.13379	2.9
211.14778	14.0
213.16344	16.1
214.16974	2.2
215.17888	3.2
225.16341	11.5
227.17943	10.1
229.65579	1.3
239.17999	8.9
241.19472	5.8
245.22627	1.2
253.19502	10.0
255.21077	5.7
267.20993	13.7
269.22519	1.5
281.22601	8.0
289.21756	3.0
295.24155	3.1
303.23206	2.1
309.25665	1.5
327.23410	2.0
337.28903	18.1
341.24680	2.6
355.10773	1.4
397.31006	100.0
398.31415	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	397.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09591	2.4
53.03926	4.7
54.44697	2.8
55.05506	21.5
57.07073	5.8
67.05503	43.5
69.03423	7.0
69.07065	23.6
69.43050	14.6
71.08619	4.7
78.21980	2.5
79.05492	44.4
81.06564	4.8
81.07050	100.0
83.08601	11.3
89.06011	5.0
91.05476	36.2
93.07040	62.8
95.04963	19.8
95.08021	4.9
95.08599	68.2
97.10133	7.0
101.55765	2.8
105.07021	79.9
107.08588	67.5
109.06509	4.5
109.10159	39.6
109.77594	2.9
111.11700	3.0
117.07005	8.9
119.08572	67.3
121.06487	7.9
121.10140	47.3
123.11695	17.9
125.37514	2.6
129.06993	6.4
131.08566	28.5
133.08556	3.4
133.10120	48.9
135.11668	25.4
141.29070	2.9
142.07726	5.1
142.43353	2.7
143.08534	14.0
145.10109	41.3
147.11674	37.9
149.13232	29.4
155.08475	5.5
157.10139	19.6
159.11662	48.2
161.13235	31.2
163.14790	15.1
169.10159	4.7
171.11691	19.6
173.13257	25.8
175.14790	25.3
177.16313	4.7
185.13246	14.1
187.14842	20.8
189.16368	13.5
197.13274	6.4
199.14795	17.2
201.16345	21.3
203.17941	8.0
211.14781	5.5
213.16354	21.2
215.17961	26.8
225.16422	6.1
227.17889	17.6
229.19498	11.4
239.18057	4.0
241.19467	9.5
243.21014	4.4
253.19543	4.0
255.20934	8.6
267.21094	8.3
269.22604	12.6
281.22699	10.5
295.24149	11.8
337.28857	74.7
338.29257	6.8
350.60880	3.1
397.17786	3.5
397.31308	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93229	2.3
55.05505	18.2
57.07064	3.8
57.11713	2.6
67.05500	36.0
69.07060	16.1
69.26080	9.0
69.26485	7.0
69.43483	2.2
71.08617	2.8
73.45994	2.4
77.51236	2.4
79.05489	35.5
81.07052	100.0
83.08608	7.1
91.05466	41.7
93.07038	67.2
95.04964	5.0
95.08597	62.8
97.10121	4.3
105.07019	70.5
107.08587	77.3
109.10155	48.3
117.07008	12.0
119.08575	69.3
121.10140	37.2
123.11667	13.6
129.06979	6.0
131.08571	29.9
133.10118	48.6
135.11700	22.1
137.13300	3.3
142.07675	4.3
143.08542	15.1
144.09334	3.8
145.10115	39.5
147.11679	38.0
149.13220	25.2
155.08575	4.0
157.10138	15.0
159.11667	43.8
161.13249	22.9
163.14781	12.4
169.49730	3.2
171.11714	16.1
173.13280	27.7
175.14778	20.2
177.16351	3.8
183.11578	3.7
185.13263	10.3
187.14799	20.6
189.16362	11.4
195.49347	2.8
197.13258	6.2
199.14787	14.8
201.16374	17.5
203.17918	8.5
211.14725	5.5
213.16379	17.2
215.17911	27.5
217.19547	5.7
225.16331	5.6
227.17955	15.3
229.19551	8.3
239.17906	3.1
241.19496	9.3
243.21129	5.2
253.19502	5.0
255.21162	8.8
257.22638	5.1
267.21024	5.6
269.22549	10.8
281.22647	9.8
295.24188	8.5
309.25754	2.8
337.28885	62.4
397.31015	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	397.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.6
57.07079	8.1
57.59547	7.6
63.78291	5.9
67.05484	32.1
67.19257	6.3
69.07063	17.5
69.74147	19.7
79.05496	26.7
79.57425	5.9
81.07047	67.2
91.05492	23.9
93.07037	74.3
93.66592	6.0
95.08607	45.5
97.10141	5.9
98.22794	9.2
105.07020	54.8
107.08576	67.9
109.10139	30.2
111.83150	6.0
119.08581	100.0
121.10159	35.2
123.11722	12.4
131.08557	15.2
133.10115	34.7
135.11696	24.8
137.13298	5.6
142.07733	9.1
143.08563	9.0
145.10138	26.1
147.11678	35.1
157.10150	20.2
159.11668	30.3
161.13264	20.0
171.11682	14.2
173.13246	9.1
175.14821	11.8
185.13214	8.1
187.14888	16.6
189.16434	13.6
197.13261	7.4
199.14789	10.3
201.16356	15.6
213.16400	10.3
227.17911	13.1
228.18799	7.3
255.20956	8.3
269.22577	8.4
337.28839	37.7
397.30823	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	397.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.05510	20.8
57.07071	4.6
65.03920	3.2
67.05505	34.4
67.87167	2.6
69.07059	30.7
69.26480	17.9
76.78471	3.1
79.05492	44.0
81.07053	92.4
83.08628	8.9
85.06549	4.3
85.10132	3.2
91.05470	40.3
91.43595	2.8
93.07040	100.0
94.07345	3.5
95.04963	9.7
95.08605	63.5
97.10188	7.2
105.04468	4.5
105.07024	92.9
107.08582	86.1
109.06528	3.9
109.10152	40.0
117.07012	10.9
119.08591	66.9
121.05568	3.0
121.10140	45.0
123.11712	14.4
127.07642	4.1
129.07013	6.0
131.08565	24.7
133.10120	34.4
135.11688	33.2
142.07744	6.6
143.08542	14.9
144.09294	6.6
145.10107	37.3
147.11685	39.8
149.13312	15.4
155.08563	5.6
157.10103	30.4
158.10808	3.3
159.11684	54.6
161.13231	25.5
163.14830	5.7
169.10094	6.5
171.11615	20.8
173.13231	26.1
174.13829	3.3
175.14803	12.6
183.11716	9.4
185.13266	16.1
187.14809	17.3
189.16336	14.5
197.13229	7.5
199.14787	15.1
200.15544	4.9
201.16306	14.3
203.18069	5.5
211.14832	9.0
213.16339	14.9
215.18016	12.5
225.16452	4.4
227.17984	7.3
239.17839	3.5
241.19620	5.3
243.21161	3.5
255.21088	7.4
267.21140	5.3
269.22751	8.1
281.22556	8.3
337.28900	33.5
397.31250	16.3
397.36130	3.1
398.22455	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	398.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
53.47780	1.6
53.69009	1.4
55.01873	2.3
57.03444	3.2
67.73026	1.7
69.03421	10.3
69.43691	3.8
69.44083	4.3
70.06592	4.5
71.05023	1.7
73.02928	1.7
78.86846	1.7
81.03426	5.0
85.02905	26.7
86.09715	2.3
87.00823	5.2
87.37161	1.5
97.02890	13.6
98.22754	3.4
98.97582	2.3
99.04427	2.6
103.05475	21.8
104.04978	3.9
105.01889	6.6
109.02906	7.5
110.07139	2.5
115.07590	1.8
118.06545	4.7
121.02882	4.8
126.63753	1.5
127.03914	17.5
131.04924	37.3
132.04449	100.0
133.04782	2.7
145.04945	4.0
148.05191	4.8
150.05515	9.7
161.05992	2.1
163.07532	17.0
175.07542	2.5
201.09221	1.6
235.08893	2.0
250.09338	2.3
332.84146	1.7
355.99280	1.8
382.96014	1.8
398.10181	1.9
398.14984	30.1
399.08176	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	398.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92992	1.1
53.03940	9.6
55.01871	9.1
57.03441	5.8
59.04996	1.1
60.45925	0.9
61.02927	6.7
68.99783	6.0
69.03065	2.3
69.03424	34.3
69.36304	3.3
69.36695	2.3
70.14936	1.4
71.04980	5.0
73.02913	8.9
77.02399	12.9
79.05489	2.3
81.03413	29.9
82.21619	1.1
85.02900	100.0
86.03252	1.2
86.09727	1.6
87.00823	39.8
87.04441	1.3
88.05109	1.3
89.06010	2.6
91.05479	3.1
93.07061	1.8
95.04934	1.3
97.02885	56.7
99.04449	16.8
100.11227	1.3
105.01861	59.3
105.07005	1.8
107.04984	1.5
109.02872	32.7
111.04478	1.5
117.01857	3.6
119.04926	4.2
121.02859	14.1
121.06481	1.3
123.02821	1.3
127.03908	80.1
128.04222	1.7
129.01825	4.3
133.06499	3.5
133.08586	4.9
134.99133	1.1
135.04437	2.1
145.04944	47.1
145.06087	2.5
147.02863	3.4
147.04390	11.3
150.04088	2.2
151.07596	1.9
153.05460	2.7
155.07080	1.1
159.02885	27.4
177.03989	1.5
179.07025	2.2
185.00969	2.2
189.03938	1.4
213.03902	6.0
219.06465	2.5
229.04900	5.5
231.02864	1.6
231.05009	18.3
233.68317	1.4
247.05923	5.7
249.06075	4.9
261.07492	1.7
261.14282	1.1
265.07156	2.5
273.03961	1.8
279.08710	3.7
281.11761	1.4
287.05429	2.1
297.09686	2.5
307.09894	1.4
349.10715	4.2
367.11847	2.1
371.11133	3.8
399.10596	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	398.196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78101	0.5
55.01871	0.7
63.55219	0.4
68.05004	0.5
68.99781	0.7
69.91358	0.5
70.02935	0.8
70.06572	0.7
71.43758	0.5
82.02926	0.5
84.04491	0.7
91.05463	0.6
93.18349	0.4
96.04487	1.8
110.02374	0.5
119.08573	5.6
120.08912	4.0
124.03935	1.9
131.04880	1.0
134.02333	0.7
144.95331	0.5
147.13408	0.5
151.01352	0.5
152.03401	14.6
168.02901	4.9
170.04477	0.5
171.51614	0.5
180.02896	100.0
181.03278	2.7
185.28572	0.5
198.03940	6.0
225.12625	0.4
242.08134	0.9
272.09082	5.8
276.00211	0.4
284.09143	83.0
285.09546	3.9
293.05099	0.5
351.27994	0.5
398.20038	0.7
409.00375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	9.8
57.61660	0.4
60.85308	0.4
62.87034	0.4
64.03008	0.5
69.05899	2.7
71.95244	0.7
74.57700	0.4
82.08886	0.4
87.74255	0.4
89.34440	0.4
98.97577	89.6
99.97898	0.4
116.98616	46.6
117.98962	0.6
130.93300	1.0
134.99651	13.9
140.00214	0.8
153.00653	0.7
172.94331	3.9
177.00943	0.6
190.95390	3.5
208.96420	1.3
212.92361	0.5
214.95369	2.4
232.96431	6.8
250.97495	3.1
254.93280	0.4
256.96420	15.2
256.99020	1.0
258.99796	3.5
261.02969	1.0
272.94391	0.7
274.97491	100.0
275.97800	2.4
276.98135	0.6
277.00821	3.4
283.00009	2.2
284.00092	0.8
292.98544	56.5
293.98883	1.0
297.99118	1.2
301.01041	2.5
302.01105	0.9
316.00101	0.6
316.98801	0.9
318.98801	0.7
380.96820	0.8
398.93503	1.0
398.98401	2.9
416.94321	0.8
416.98734	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51174	5.4
56.96560	14.3
57.07064	6.1
60.40143	5.6
62.51248	5.3
69.17966	24.0
69.18364	12.2
70.06602	31.0
71.08613	7.4
72.08154	12.2
72.93827	5.9
73.13136	5.5
86.09686	9.5
95.04924	6.0
97.02875	35.3
98.22603	10.3
98.97594	39.2
102.05499	10.0
110.07162	7.0
110.97546	7.0
111.04416	8.8
116.98606	20.4
120.77728	5.6
121.02796	6.9
128.98616	18.1
129.05484	12.9
134.99648	7.1
136.06177	38.7
138.05484	7.2
143.49356	5.2
147.06456	6.0
151.03882	11.3
152.98608	6.3
161.01184	7.9
167.06921	6.1
177.00693	7.7
219.01741	18.7
237.02689	27.7
250.09277	32.8
253.64795	5.8
292.98605	9.1
298.09619	9.2
310.72314	5.7
339.07483	39.0
357.08643	46.9
397.73972	6.8
399.10547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01854	1.0
55.05505	1.0
56.05022	1.3
57.03442	6.1
61.02914	2.8
63.16096	0.9
69.03422	9.2
70.02152	1.9
70.06586	4.7
71.04939	1.1
71.08626	1.2
72.08151	1.4
73.02911	2.2
74.34416	0.8
81.03424	5.8
85.02416	1.4
85.02908	22.8
85.26285	0.8
86.09705	2.6
87.04443	1.7
91.03945	0.9
97.02885	10.7
98.22750	1.7
98.97587	1.5
99.04435	2.5
101.05991	1.5
102.04685	1.5
102.05498	1.4
103.03965	2.5
103.05465	48.1
105.07012	1.6
106.09013	0.9
109.02861	3.4
111.04431	1.2
115.03900	0.9
115.05425	0.9
115.70905	0.9
116.98607	1.1
119.04977	1.3
121.02838	2.1
127.03934	6.8
129.05463	1.1
130.04076	1.4
131.04922	100.0
131.81964	0.9
132.04449	3.7
132.05319	1.4
133.04770	1.5
136.06155	3.6
145.04922	2.5
147.04382	1.7
148.05190	15.4
149.09622	1.0
152.01610	1.5
161.05983	4.7
162.06645	1.2
162.34346	1.0
163.07536	45.5
173.09315	1.0
200.98334	1.9
201.09186	1.9
237.11095	1.8
245.50090	1.0
250.09259	3.4
298.09723	1.3
399.08063	37.5
399.15933	5.7
400.08237	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	399.1073
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
50.71650	0.3
51.47416	0.4
55.01858	1.5
58.85960	0.3
65.03935	0.5
67.05489	1.3
68.99783	6.9
69.07061	1.4
70.08545	1.1
79.05488	2.0
81.07066	0.6
83.01337	0.7
91.05468	1.0
92.99730	0.5
93.07081	0.5
95.04972	0.7
95.08593	0.5
97.06527	6.5
98.09882	0.4
98.23585	0.5
105.04493	0.4
105.07000	0.8
107.01283	0.4
107.04935	0.5
111.04436	0.5
117.06997	0.4
119.04915	1.4
121.02853	9.5
121.06493	0.6
121.79271	0.3
123.00767	3.2
131.04950	0.8
135.04390	7.0
137.02310	3.0
139.00250	9.4
140.01039	0.6
145.02843	1.6
145.06491	0.9
147.04408	1.1
149.02322	1.0
149.05966	0.9
151.03905	0.8
153.01863	0.4
157.07716	0.4
163.03871	2.1
167.03395	0.5
168.00560	3.2
169.01308	2.7
173.05978	0.8
175.03844	0.4
177.05498	0.4
185.00867	0.5
186.01579	1.1
187.03900	0.8
189.05466	0.6
191.07050	0.8
193.01256	0.6
202.24020	0.4
203.03337	0.4
217.04926	0.5
219.06520	0.6
227.03345	0.7
229.04881	0.8
253.04887	0.9
255.06476	0.6
257.04437	1.7
258.05130	0.5
261.03928	0.4
267.06543	0.9
269.08176	0.6
273.03897	37.0
274.04245	2.1
277.08475	0.4
279.06351	0.4
281.08282	0.4
283.06091	0.6
285.03955	2.6
286.04697	0.9
287.05536	0.8
293.11734	0.6
297.69598	0.4
299.05460	0.7
300.99792	0.5
301.00488	0.3
301.03391	17.4
302.04135	12.7
303.04944	36.7
304.05289	1.8
309.10992	0.6
311.05411	1.1
313.07019	0.7
315.04907	0.9
319.09601	0.6
327.04877	1.0
335.09128	0.9
337.10757	1.7
353.10052	0.7
355.07971	1.9
355.11926	0.5
367.13055	0.7
371.11069	0.7
381.09671	1.4
399.10696	100.0
400.10989	7.1
422.94647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1073
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
55.01851	0.6
56.69557	0.4
63.33855	0.3
67.98212	0.3
68.99783	6.4
69.07021	1.2
69.80718	1.4
79.05481	1.6
89.03886	0.6
97.06528	3.2
98.22693	0.5
104.82076	0.3
112.01513	0.4
117.03345	0.6
123.00787	2.3
135.04404	8.9
137.02312	4.1
139.00247	13.8
168.00499	2.7
169.01341	1.7
173.05939	0.3
175.03926	0.4
176.70653	0.3
177.05598	0.4
185.00731	0.9
186.01566	1.1
203.03377	0.8
203.85788	0.4
227.03343	0.9
229.04800	0.4
244.55742	0.3
257.04434	0.7
260.22620	0.3
273.03900	50.0
274.04276	2.9
285.03873	1.1
301.03387	28.6
302.04150	11.0
302.07639	0.5
303.04944	28.0
304.05304	1.5
313.03351	0.5
315.05020	0.5
355.08170	0.5
399.10699	100.0
400.11047	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	399.1074
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
55.01867	1.4
55.05509	1.3
58.40252	0.6
63.64370	0.6
65.03939	2.5
67.05502	1.8
68.99789	4.5
79.01856	0.9
79.05492	2.7
81.07050	2.4
83.01352	1.7
91.05470	4.4
91.91867	0.6
93.03371	0.8
93.07055	2.6
95.04961	2.0
95.08598	1.8
103.05456	0.6
105.03374	0.9
105.07046	1.9
107.01308	1.9
107.04951	1.4
107.08578	0.6
109.02882	0.7
111.04454	1.1
115.05453	2.2
117.06996	3.8
119.04950	5.7
119.08612	1.0
121.02864	43.1
121.03905	1.6
121.06528	2.5
122.03229	0.9
123.00774	0.8
123.08046	1.0
126.04391	0.6
128.06232	0.7
129.07048	0.7
131.04947	2.2
135.00786	1.2
137.02322	1.5
143.04895	0.7
145.02847	9.0
145.06487	4.1
147.04456	2.2
147.08049	1.1
149.02344	5.1
149.05974	2.0
151.03917	4.7
153.01825	1.8
155.04881	0.7
157.06491	0.8
163.03911	8.2
167.03392	3.7
169.01329	2.1
169.06512	1.7
171.04463	1.2
172.93672	0.6
173.05949	4.1
175.07564	1.8
177.05489	0.6
181.01337	0.7
187.03970	1.9
189.05524	0.8
191.07024	3.0
193.01306	0.7
195.02893	1.2
197.05998	2.8
201.05521	2.5
207.02850	0.7
213.05383	0.8
217.04973	0.9
219.06551	2.0
223.07564	1.5
225.05373	0.9
227.07063	1.8
231.02911	1.0
235.05971	1.1
237.51266	0.7
239.03484	0.7
239.07040	4.4
241.04883	0.9
251.07104	3.2
252.07639	1.0
253.04987	3.1
253.08659	1.4
255.06464	3.7
257.04501	1.0
259.02338	0.8
263.07001	1.6
265.05072	0.7
265.08798	0.6
267.06503	14.0
268.07367	1.0
269.04492	3.0
269.08118	2.1
271.06085	1.6
273.03912	12.5
273.08881	0.6
276.07718	1.8
277.08582	20.5
278.09091	1.7
279.06577	1.9
281.08112	1.0
281.11758	1.8
283.06070	1.3
285.03903	3.2
286.04791	0.6
287.05417	2.8
289.08652	0.8
291.10159	4.8
293.11697	29.5
294.12164	1.5
295.06039	1.0
297.04044	1.7
299.05582	1.3
307.06024	1.4
307.09491	1.2
309.07770	1.2
309.11172	8.2
311.05396	1.9
313.07047	2.4
315.04938	0.8
317.07935	1.5
319.09604	4.7
321.07541	2.1
325.07037	1.5
335.09146	2.6
337.10718	9.9
353.10123	3.6
355.07822	0.9
355.11743	1.9
363.08740	1.7
381.09766	1.9
399.10754	100.0
399.19446	24.5
400.11069	6.9
400.19879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1075
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
52.93498	0.7
53.03957	0.7
55.01871	1.0
55.05506	1.7
65.03936	2.8
66.35720	0.6
67.05500	2.7
68.99786	7.3
71.08628	0.9
76.01588	0.8
79.05493	2.5
81.07062	3.8
83.01342	1.3
83.04975	1.3
84.08110	0.9
91.05486	5.9
92.99773	1.1
93.07050	2.9
95.04955	2.4
95.08614	3.1
97.02896	1.3
98.22631	1.9
101.90427	0.7
105.03372	2.1
105.04500	1.0
105.07021	3.7
107.01321	1.7
107.04955	2.9
107.08543	0.7
109.02884	1.2
110.06052	1.1
111.04397	1.2
115.05472	2.6
117.07019	3.2
119.04945	6.5
119.08615	1.1
121.02859	45.8
121.06487	2.5
122.03201	1.3
123.00831	0.9
129.07042	1.3
131.04900	1.8
135.00766	0.7
135.08087	1.1
136.06192	1.0
137.02330	1.1
138.04936	0.8
145.02834	8.6
145.06487	4.4
147.04390	6.2
147.08084	1.2
149.02336	4.3
149.05986	1.9
151.03891	5.8
153.01837	1.2
157.06483	1.1
163.03906	9.0
163.07529	0.8
167.03424	5.5
167.07123	1.6
169.01350	1.9
169.06557	1.6
171.04402	1.2
173.05963	4.2
175.07565	0.7
181.01215	0.7
181.05020	0.8
187.03928	2.8
189.05505	1.2
191.07051	4.4
193.05103	0.7
193.08624	1.3
195.02956	1.6
197.06030	2.3
199.03989	1.2
201.05405	3.3
207.02861	0.9
211.02481	0.8
219.06516	1.5
221.09662	0.9
223.07584	1.2
225.05482	0.9
227.06894	0.9
231.02948	0.9
235.06078	1.0
239.07103	4.3
241.04971	1.5
251.07024	2.5
252.07748	1.0
253.04929	3.5
253.08620	1.2
255.06546	4.1
257.04449	2.5
263.07172	1.0
265.04996	1.0
265.08743	0.9
267.06488	13.6
268.07147	1.8
269.04498	2.7
269.08063	2.1
271.06027	1.4
273.03873	11.8
276.07852	2.0
277.08566	17.0
277.11340	1.2
278.09216	1.6
279.03494	1.2
279.06558	1.6
280.07080	0.9
281.08279	1.5
281.11551	1.9
283.06058	1.1
283.13336	0.7
285.03992	2.3
287.05502	2.6
289.08612	1.4
290.09280	1.4
291.10031	5.0
293.11700	30.6
294.12134	2.2
295.06158	1.1
297.04019	1.1
299.05481	1.1
301.08536	1.1
302.10278	0.7
303.05038	0.7
307.09604	1.2
309.11176	7.8
311.05606	2.6
311.12772	1.1
313.07147	2.1
315.05020	1.5
319.09680	5.4
321.07635	1.5
325.07034	2.7
335.08987	3.4
337.06992	1.2
337.10678	9.3
339.12393	1.0
353.10208	4.3
355.08105	0.8
355.11960	2.0
363.08667	1.6
381.09738	2.1
382.09549	0.9
399.10751	100.0
399.19690	47.0
400.11017	5.2
400.20352	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1075
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
55.05504	2.7
67.05498	1.7
68.99792	5.8
69.07049	1.5
79.05510	2.7
95.04977	1.2
95.46057	1.3
97.02895	1.9
97.06521	4.6
98.97586	1.3
109.10142	2.1
110.70193	1.2
112.01633	1.9
123.00806	3.4
123.95946	1.2
124.03986	1.1
127.00226	1.6
127.36604	1.1
134.03679	1.1
135.04405	11.3
136.06233	1.7
137.02348	5.8
137.03342	1.5
139.00255	9.4
140.01038	3.1
147.04431	3.0
156.38689	1.1
168.00536	16.2
168.90877	1.1
169.01335	3.9
186.01613	11.0
227.03471	1.1
257.04605	2.6
273.03915	32.4
274.04456	2.5
274.97455	1.6
285.03967	3.5
301.03427	22.0
302.04202	100.0
303.04953	51.8
304.05447	2.4
315.05038	1.6
367.11713	2.3
381.09695	3.3
399.10709	99.0
400.11166	6.3
421.81876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41114	1.3
53.03954	1.4
57.03454	4.8
61.02938	1.5
68.99803	3.7
69.03452	5.8
69.21809	3.1
69.22209	4.7
70.06596	7.6
71.05042	1.8
72.31721	1.4
73.06448	4.3
81.03443	4.0
81.04534	15.0
82.05347	3.6
83.06115	2.6
84.04516	1.4
85.02907	16.7
85.03333	1.3
91.05510	2.3
92.05038	1.4
95.05031	1.3
97.02882	8.1
98.22639	1.5
99.04466	2.3
100.07594	2.1
103.04027	1.9
103.05472	50.8
104.56064	1.3
105.07048	2.8
107.04996	1.6
107.06048	2.8
109.02916	4.0
109.04012	15.6
109.04631	1.4
110.04810	5.4
111.05569	74.3
112.08749	1.9
119.06120	1.3
121.04007	2.1
127.03939	5.9
129.05492	1.4
129.09004	1.9
130.04150	1.9
130.05026	2.8
131.04933	100.0
132.05281	2.7
135.05588	4.5
145.04968	2.4
147.00873	1.7
147.04500	1.7
147.05605	4.6
148.05182	10.0
151.05057	1.7
153.01855	1.4
159.05583	3.2
161.03477	3.2
161.05997	3.1
161.07170	4.6
163.05219	2.4
163.07527	32.0
169.01331	7.0
177.06696	1.9
181.05020	1.8
185.00902	3.8
185.71747	1.3
187.05038	8.0
187.51715	1.6
189.03047	1.5
189.06644	4.9
191.04593	1.9
201.09200	2.6
205.01407	2.2
205.06213	4.7
214.99818	1.6
215.04492	11.8
221.05975	3.2
231.04117	5.8
232.02505	3.3
233.05620	14.8
237.11195	1.7
240.94316	2.2
249.05431	1.9
251.06706	3.9
253.04933	1.8
259.03619	5.8
266.22556	1.3
267.39841	1.4
271.06030	2.1
273.07614	9.5
277.04602	7.9
291.11313	6.6
293.12802	2.1
295.05597	5.8
296.08737	2.8
305.04388	11.4
319.10696	8.0
322.07169	11.5
335.10019	1.6
336.10764	1.6
337.11816	11.5
345.08768	2.4
363.09851	9.4
371.96237	1.4
381.10840	4.2
382.14017	3.9
395.01385	1.5
399.11966	8.2
400.01016	2.2
408.01221	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01865	0.7
56.96560	0.6
65.03939	6.0
67.05518	2.6
68.99793	1.3
69.03413	1.0
70.06578	1.9
71.08610	0.4
79.05472	0.7
81.03405	0.6
81.04517	1.1
82.04186	1.8
84.04504	1.4
84.08120	1.0
85.02909	5.7
91.05489	1.2
93.03403	1.4
95.04933	0.9
97.06519	1.7
97.44061	0.4
98.97566	1.1
103.05457	2.2
105.07017	0.4
105.46846	0.5
108.02087	1.0
109.03983	1.1
110.03672	2.8
111.04420	1.3
111.05566	9.7
111.51694	0.4
112.07599	1.4
116.98653	0.5
119.04913	0.5
121.04031	0.6
123.00791	0.8
125.05971	1.2
127.03898	0.8
129.06984	0.8
130.04977	1.5
131.04932	4.7
138.03116	1.1
142.02563	1.3
147.04404	1.7
151.03932	6.9
151.05002	0.7
152.07088	0.7
153.05452	3.8
155.04848	0.8
156.06558	0.6
157.06487	0.8
161.03433	0.6
163.05000	0.8
169.01373	0.9
171.06523	5.5
181.04947	100.0
182.05286	3.1
183.45079	0.4
185.00751	0.7
195.15697	0.7
198.07552	0.6
205.06207	0.5
225.05475	0.6
230.61775	0.4
231.04068	0.6
233.05719	0.7
242.07974	0.6
244.09453	0.4
253.04948	1.2
255.06372	0.4
256.21182	0.4
257.94464	0.4
259.03571	1.2
273.07504	1.1
274.97635	0.5
277.04538	0.9
295.05557	0.8
302.03946	0.5
317.06497	1.3
319.07037	0.9
322.07169	0.7
355.10016	0.6
363.09647	1.7
381.11026	0.6
382.09079	1.8
396.40112	0.4
399.11758	3.2
399.16605	0.9
399.22116	1.0
400.09323	0.5
416.68967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05539	0.7
69.07048	0.7
69.51818	2.6
82.26753	0.6
84.08118	0.7
94.58239	0.6
97.02905	1.2
97.06493	0.6
101.00888	0.5
101.69889	0.6
102.05511	1.1
107.04972	0.6
121.02876	1.1
136.06207	1.1
147.04506	0.6
151.03835	0.7
183.71983	0.5
195.70076	0.7
227.05252	1.0
243.04677	1.1
250.09305	1.4
271.04254	1.6
273.03958	0.7
287.03784	2.9
303.04987	2.7
313.16269	2.9
337.07025	1.0
337.16116	0.8
342.00320	0.7
355.17255	25.8
355.98404	3.6
356.17465	1.4
356.98776	0.7
357.02844	1.7
360.01529	9.0
373.99503	7.5
374.96072	1.2
374.99506	1.2
375.03839	15.2
376.04349	1.0
378.02393	4.1
393.05014	5.1
398.05658	0.7
399.10800	6.1
399.16211	100.0
400.16626	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	399.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
55.91550	0.3
65.03931	0.4
68.99774	1.2
69.07053	1.1
69.40249	1.5
75.15704	0.3
76.40285	0.4
79.05495	0.7
81.07018	0.3
83.01373	0.4
87.29825	0.3
89.73950	0.4
91.56558	0.3
92.99789	0.3
95.04935	0.7
97.06505	1.3
101.00875	0.6
105.07047	0.6
114.10793	0.3
119.01920	0.7
119.08498	0.4
121.02855	3.4
123.00786	0.7
123.04484	0.4
126.99994	0.5
135.04407	1.0
137.02301	1.9
139.00252	0.9
143.01913	0.5
145.10039	0.7
151.03902	0.5
163.03922	0.8
167.03320	0.4
168.00540	0.6
168.10269	0.5
175.03838	0.4
181.01312	1.0
185.04257	0.5
187.00833	0.5
197.00842	0.4
199.02380	0.7
201.03508	0.4
203.03429	0.4
208.69298	0.4
219.60561	0.4
227.05222	1.5
229.05069	0.5
236.06436	0.4
243.04716	7.0
243.30663	0.4
245.06226	0.7
247.06084	0.5
259.08945	0.4
261.16562	0.4
271.04111	1.7
273.03925	2.8
273.42542	0.5
283.05722	0.4
285.03818	0.8
287.03671	19.7
288.04083	0.8
289.05313	1.8
293.11862	0.5
295.15094	0.5
301.03375	0.9
302.04227	2.1
303.04898	8.3
304.05322	0.6
309.07474	0.7
309.11108	0.7
313.16168	2.7
315.04971	2.9
324.06082	0.4
327.04849	0.6
327.08569	0.5
329.06381	1.1
337.07031	0.8
337.16113	0.8
339.13422	0.5
353.05594	0.4
355.08072	2.3
355.17206	18.2
356.17529	0.8
367.73178	0.3
371.11121	0.4
381.09790	1.4
399.10657	26.7
399.16147	100.0
400.10962	2.0
400.16483	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11418	0.9
52.96053	0.8
53.03941	0.9
55.01870	1.7
57.03438	4.3
61.02932	1.7
68.99790	2.1
69.03426	7.8
69.32423	2.3
69.32834	2.8
70.06586	5.5
70.59114	0.8
73.02900	1.3
73.06421	4.0
81.03407	2.9
81.04546	8.8
82.05341	1.1
83.06078	1.2
84.04494	2.6
85.02903	21.2
87.04456	1.9
90.94854	1.0
91.05473	1.8
95.04959	2.1
97.02885	6.5
98.22688	1.7
98.52563	0.8
98.97565	1.2
99.04449	2.2
100.07616	1.2
102.04637	1.0
103.03963	1.3
103.05463	44.6
104.05774	2.0
105.04481	1.0
105.07021	1.8
107.04954	1.1
107.06066	2.6
109.02840	2.7
109.03991	9.1
110.04778	2.9
111.05561	60.5
112.05891	1.3
112.08719	1.5
117.05423	1.3
121.03976	2.1
127.03917	6.5
129.09024	1.4
130.04134	1.2
130.09822	1.0
131.04921	100.0
132.05298	3.4
134.04727	1.6
135.05537	3.6
145.04941	2.7
145.06497	0.8
147.00764	4.2
147.04381	1.4
147.05515	1.6
148.05177	10.5
151.03920	2.2
155.04881	0.8
159.05507	1.4
161.03476	1.6
161.05957	3.6
161.07042	1.6
162.06691	0.9
163.05069	2.4
163.07527	41.2
164.07875	1.2
165.01830	3.3
166.99686	1.2
169.01369	6.0
175.07439	1.3
177.05322	1.4
177.06729	1.2
181.04948	2.5
184.95316	0.9
185.00739	4.3
187.00276	2.3
187.05026	2.6
189.06673	2.0
191.04556	1.4
201.08998	2.0
203.04526	2.5
204.02905	1.8
205.01323	3.2
205.06067	1.8
213.02997	1.2
214.99725	3.1
215.04448	4.9
218.04474	1.6
221.05931	6.5
225.05492	0.9
231.04042	6.0
232.02315	5.5
233.05627	6.4
240.94315	2.9
249.05521	4.4
251.06564	1.9
253.04990	1.8
258.95349	2.4
259.03461	4.3
271.05954	2.7
273.07556	7.0
277.04718	5.8
285.03952	1.0
291.11243	1.7
293.12714	1.0
295.05621	3.7
296.08731	1.9
305.04416	27.1
319.10770	3.2
322.07089	21.9
322.10812	1.5
337.11841	4.4
350.06680	6.2
354.09589	1.4
357.97495	1.1
358.98532	2.4
363.09662	7.9
365.06348	1.1
376.99170	2.0
381.10800	2.8
382.09195	3.8
382.13757	2.5
399.11871	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	399.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17796	0.4
55.05498	1.6
57.07071	2.0
61.92309	0.4
67.05502	0.7
69.07065	1.0
69.62656	1.5
70.06580	0.8
71.08617	1.2
79.05494	0.5
81.07055	1.0
83.08606	0.5
85.10163	1.1
88.07613	1.6
91.05459	0.7
93.07027	0.6
95.05007	0.3
95.08597	1.2
98.22774	0.8
102.09211	0.5
105.07018	0.8
109.10131	0.7
119.08582	1.0
121.10119	0.5
128.24179	0.4
132.88354	0.5
133.10138	0.9
145.10089	0.5
147.11639	0.6
147.59430	0.4
159.11668	0.4
192.34329	0.4
196.25743	0.4
296.29453	14.1
297.29810	0.6
338.34100	1.3
339.19171	1.5
399.21399	100.0
400.21713	8.5
400.37796	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	399.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.9
56.52524	2.5
60.04513	2.2
67.05494	6.9
69.03397	2.8
69.07099	2.4
71.04984	15.9
71.42882	2.0
79.05488	9.4
81.07051	9.2
91.05489	11.0
93.07034	9.6
95.04955	6.1
95.08599	6.8
97.06551	3.2
105.07063	13.0
107.08601	4.8
109.06507	9.0
109.10137	4.3
117.07063	3.4
119.08572	15.7
120.08926	2.5
121.10100	5.0
123.08083	2.7
124.03954	24.5
125.04311	4.4
125.09685	2.6
127.03904	4.3
129.07004	6.2
131.08582	9.2
133.10138	7.8
135.08012	4.8
142.07787	7.1
143.08546	9.2
145.10112	10.6
147.08058	10.4
147.11673	4.8
149.09645	4.1
155.08594	6.8
156.09404	3.4
157.10069	12.2
159.11665	11.6
160.08807	2.9
160.12364	3.6
161.09644	9.0
163.10999	3.3
167.08603	3.0
168.09392	4.4
169.10065	3.6
170.10934	5.2
171.11722	9.6
173.09625	10.9
173.13237	23.5
174.10486	6.0
175.11169	10.7
176.12013	4.4
177.12749	11.2
178.08536	5.6
179.08861	4.5
180.10266	14.4
181.10181	3.7
183.11731	17.6
185.09569	3.9
185.13269	4.5
186.10442	2.8
187.11203	10.6
187.14871	5.3
188.12024	13.6
188.15590	13.3
189.12688	6.7
191.10568	2.8
195.11693	6.5
197.13338	2.9
198.14027	21.4
199.11217	2.5
199.14778	6.4
201.12761	10.9
209.13304	5.2
215.14186	4.9
216.15112	17.3
217.12238	3.4
217.15813	5.3
219.11845	3.0
222.54376	2.5
227.14313	4.5
228.22951	2.3
237.16351	4.7
255.17456	3.9
265.15875	5.7
273.11285	2.5
273.14941	2.8
283.17004	8.6
293.15326	2.9
301.14294	9.2
301.18002	9.4
302.04242	2.8
303.04956	5.8
311.16476	21.5
312.16547	3.2
329.17441	100.0
330.17807	9.3
384.09927	2.5
399.10486	11.0
399.21320	13.2
399.26566	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	399.2869
Annotation	Delta-6 Testosterone Enanthate
Peak:m/z	Relative Intensity
54.21273	0.4
55.05515	2.2
58.06597	0.6
67.05502	0.5
69.07056	1.7
69.16401	2.4
70.06583	3.3
83.04592	0.4
83.08601	1.0
88.07623	5.8
93.07082	0.5
95.94048	0.4
102.09184	2.5
105.07013	0.9
109.06517	0.5
117.54739	0.4
123.80848	0.4
124.23639	0.4
137.02269	0.4
143.08472	0.5
151.18010	0.5
184.64207	0.4
254.77702	0.5
296.29514	0.9
303.05225	0.6
338.34103	7.3
399.28665	100.0
400.29211	8.7
400.37769	20.6
400.43335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05510	8.0
56.05031	8.3
57.03429	1.2
57.07059	3.6
60.04525	100.0
60.05637	1.8
63.07006	1.3
67.05501	16.1
68.05023	7.2
68.99791	3.7
69.03420	4.8
69.05798	1.9
69.07067	9.9
69.09576	7.2
70.06590	24.6
71.08638	1.7
72.04523	2.3
72.05634	1.6
73.06039	1.6
73.06422	24.9
73.17515	1.2
74.06077	4.4
79.05485	9.1
80.05002	4.0
81.03415	2.4
81.07061	13.5
82.06570	4.2
83.08627	6.0
84.04515	13.2
84.08154	2.4
85.02905	4.9
86.06065	75.6
90.05569	1.6
91.05482	6.4
93.07056	6.8
94.06544	1.6
95.04954	6.1
95.08617	10.5
96.04488	3.5
97.02900	1.5
97.06557	1.4
97.10165	2.3
98.06051	11.0
100.07620	5.1
102.05565	2.3
103.05479	3.3
105.07012	6.1
107.08598	4.0
109.10146	2.4
110.06068	6.2
112.07589	3.8
112.08739	13.6
119.08567	2.0
121.10145	2.6
123.04379	1.3
123.11628	2.3
124.07557	1.5
126.05510	7.5
127.08715	1.2
128.07082	30.3
128.08147	3.5
129.08963	7.6
130.06517	2.7
130.09796	4.5
131.04918	6.3
131.08476	1.5
133.10136	2.0
135.11612	1.6
140.07065	2.9
145.09712	50.6
150.05513	1.9
157.07669	1.5
166.99728	1.5
178.08643	1.3
185.00771	8.4
185.07059	6.3
190.05013	2.7
218.04494	19.6
219.02806	1.4
243.21054	1.8
245.22716	1.4
261.22116	7.7
271.06000	8.8
278.07678	4.9
279.23145	1.9
280.26288	9.9
296.08813	4.4
298.27356	14.8
316.28683	10.7
322.10751	11.4
334.26981	1.2
340.11978	2.8
346.27463	3.9
364.13199	2.4
364.28513	14.1
365.29080	1.4
381.30984	3.4
382.09073	1.5
382.13959	29.7
382.29199	1.8
399.32162	83.9
400.14972	5.4
400.32571	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.8
57.07071	10.4
57.07330	0.4
58.06596	2.7
67.05496	1.9
69.07057	2.1
69.62289	0.9
70.06586	2.3
71.08627	7.7
72.08930	0.2
79.05463	0.4
81.07050	2.4
83.08624	2.3
85.06473	0.3
85.10172	4.4
88.07140	0.3
88.07625	3.4
93.07053	0.3
95.08043	0.2
95.08600	4.3
97.10149	1.4
99.11662	0.4
99.72247	0.2
102.09178	1.4
105.06993	0.2
109.10162	2.1
111.11668	0.4
123.11668	0.8
132.10214	0.2
137.02322	0.3
137.13228	0.5
220.96837	0.2
239.23645	0.8
273.04199	0.2
296.29446	100.0
297.29782	6.1
303.05011	0.4
338.34106	4.8
344.84821	0.2
366.56891	0.3
382.36932	0.2
399.10696	1.0
399.28671	11.5
399.36255	0.6
400.29013	1.3
400.37790	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	400.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
56.05025	4.7
60.05615	1.0
65.03935	0.9
67.04247	1.5
68.05007	3.2
68.99779	5.5
70.06589	32.8
73.06419	26.8
79.05494	1.4
80.05016	2.1
82.06539	1.2
84.04504	2.0
84.08137	53.4
85.02890	1.0
86.06073	0.9
91.05479	3.4
95.04948	1.7
96.04472	2.4
103.05463	6.4
105.07011	2.5
110.06034	100.0
111.06367	2.1
112.08713	8.3
119.04942	3.5
121.06503	4.6
128.08220	2.2
129.08992	8.3
130.05005	3.4
130.09770	5.0
131.04916	15.5
132.05267	1.4
134.06020	1.2
136.07617	2.3
147.04391	19.8
151.03951	1.1
152.07030	2.2
162.05507	6.1
163.03836	1.1
164.98140	1.6
166.08632	1.8
166.99811	2.3
168.02916	1.3
169.01314	1.0
171.04395	8.7
175.03879	1.5
176.03336	1.1
180.06580	4.5
182.99225	9.4
185.00803	5.8
187.03882	2.4
190.04996	2.9
191.03352	1.2
193.04948	1.2
201.00293	2.0
203.03363	11.3
204.03140	1.0
204.06529	2.0
205.03310	1.3
206.04475	20.2
207.02881	1.6
210.08760	1.1
215.03296	1.2
218.04466	15.5
219.02879	1.4
221.00740	1.0
221.04341	1.2
222.07611	4.4
224.05486	5.3
229.05276	1.0
230.04437	18.2
231.02928	1.7
232.06029	4.7
233.02766	2.2
236.05544	1.7
236.09120	1.6
238.07045	1.5
239.03445	1.0
248.05502	22.8
248.07976	1.9
252.09845	1.4
254.10115	2.4
254.61736	0.9
257.04462	1.3
260.06512	1.6
262.07019	2.4
267.02872	33.3
268.03110	1.4
271.05823	7.3
278.07736	4.5
280.04526	1.3
280.08005	1.5
285.03903	8.2
295.05811	1.0
296.08691	4.2
304.09653	1.9
307.05960	1.6
322.10641	11.1
322.98413	0.9
332.09149	2.8
339.08731	3.3
340.11743	5.0
350.10281	8.7
354.13181	1.2
364.12604	2.0
368.11255	37.1
368.15924	1.9
369.11627	2.8
382.13934	20.0
383.14447	1.1
400.14374	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	400.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10693	1.1
51.52864	1.0
56.05035	5.6
60.05630	4.0
60.66495	1.0
65.03932	1.0
67.04256	2.3
67.05531	1.2
68.05021	8.6
68.99779	12.2
69.05800	3.8
69.44174	5.4
70.06586	36.8
72.05641	2.4
73.06415	61.3
79.05469	1.5
80.05019	2.3
82.06553	1.3
84.08138	44.6
91.05482	3.2
93.07038	1.4
96.04484	5.1
100.07670	1.2
103.05447	4.2
105.07030	2.5
107.01334	2.0
107.04944	2.6
110.06031	100.0
111.06375	2.1
111.07901	1.4
112.08720	20.9
119.04955	6.4
121.06477	12.5
122.06063	1.9
128.08185	4.2
129.08963	22.4
130.09758	13.7
131.04929	8.6
134.05983	1.7
136.07610	2.5
147.04398	27.5
152.07068	1.8
162.05493	7.9
163.03812	1.5
164.98174	5.8
166.08669	1.4
166.99744	4.0
176.03346	2.8
176.07048	1.4
180.06552	4.2
180.17401	1.7
182.04498	1.6
182.99234	17.9
185.00806	13.5
190.04942	5.0
194.04460	1.7
201.00221	2.0
202.05074	1.4
204.06468	1.9
206.04472	14.7
210.04080	1.6
218.04465	33.2
219.02859	2.7
219.04736	1.2
220.06070	1.8
222.07579	3.9
224.05565	4.2
230.04453	36.1
231.02748	1.8
231.04829	1.5
236.05455	1.6
236.09056	1.8
239.07001	1.4
248.05524	19.3
254.10385	1.9
260.06580	1.2
262.07129	6.6
263.01691	1.2
266.02847	1.5
271.05969	15.2
278.07666	7.8
280.07874	5.9
285.03934	12.2
293.08054	2.7
296.08676	4.1
298.08957	1.3
303.05002	1.4
322.07303	2.1
322.10727	20.4
323.11179	1.2
340.11710	12.1
350.10107	8.1
364.12619	2.3
368.11258	21.1
369.11420	1.6
382.13934	45.0
383.14301	5.3
384.10681	2.3
400.14767	16.0
401.15237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1503
Annotation	Pelagiomicin A
Peak:m/z	Relative Intensity
50.84043	0.8
56.03773	1.9
58.57430	0.9
60.05649	6.9
68.05037	8.5
68.99782	9.0
69.05801	3.0
69.21884	5.3
70.06590	40.9
71.04998	2.3
72.05631	2.3
73.06419	100.0
80.05007	2.0
86.06052	1.1
87.02327	1.0
95.06078	2.1
96.04500	5.3
105.07034	2.0
108.04462	1.4
110.07149	1.2
111.07990	1.7
112.08723	30.6
113.09134	1.0
122.06026	1.5
128.08183	8.4
129.08984	26.3
130.09775	19.0
131.04921	3.2
134.06026	1.2
139.00208	1.8
146.36354	1.1
150.05498	1.5
162.05545	2.0
162.28700	1.1
166.99715	5.8
176.03441	3.9
185.00803	18.5
190.05009	4.5
191.03397	1.7
195.04590	1.3
207.02797	1.3
209.04425	1.2
210.08717	1.3
218.04469	43.0
219.02858	3.5
219.04840	1.7
235.44688	1.3
260.06671	1.5
271.05951	17.9
272.06381	1.6
278.07739	10.5
280.09793	1.3
293.08142	3.6
296.08762	4.4
322.10696	22.8
323.11176	1.8
340.11716	6.0
347.10052	2.2
364.12909	5.4
382.13953	69.3
383.14459	7.1
400.14963	13.6
401.15472	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	400.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
56.05022	5.3
56.27405	1.3
60.05649	4.6
63.65759	1.3
65.13589	1.2
68.05019	13.1
68.99789	14.3
69.05810	2.5
70.06590	57.0
71.04987	3.3
72.05634	5.0
73.06418	100.0
75.80907	1.5
78.16658	1.4
79.05487	1.5
80.05009	2.4
84.08141	51.0
86.06066	1.9
91.05448	5.1
96.03925	1.5
96.04462	7.3
100.07620	6.1
103.05448	4.1
103.70840	1.3
105.07024	4.6
107.04935	2.2
110.06036	92.2
110.09658	2.5
111.06290	1.9
112.08728	28.1
119.04932	6.5
121.06519	11.7
122.06028	2.2
123.04424	1.4
128.08179	6.7
129.08975	24.1
130.09763	19.2
131.04913	9.9
132.60109	1.4
134.05998	2.3
136.07599	1.6
139.00241	1.5
147.04387	27.0
152.03444	2.6
156.07709	1.4
162.01802	1.5
162.05507	6.8
164.98216	3.4
166.99730	7.2
176.03381	4.4
180.06404	3.2
182.04471	1.9
182.99255	20.4
185.00809	20.9
187.01811	1.4
190.05014	6.2
194.04442	2.6
203.03427	1.4
206.04436	16.5
207.02866	3.4
208.05925	1.4
209.04453	1.5
218.04474	54.7
219.02863	2.8
219.04800	1.7
220.06036	3.7
222.07565	4.1
224.05563	2.9
230.04474	32.7
231.05017	2.0
236.05211	2.0
236.09122	2.6
238.03357	2.4
238.07045	2.5
242.45993	1.5
248.05560	20.7
254.10172	2.6
260.06613	2.1
262.07101	5.6
266.02924	4.0
268.22711	3.4
271.06006	20.9
278.07690	10.2
279.06287	1.6
280.04443	3.8
280.08191	6.8
285.03909	14.3
293.07938	3.2
296.08865	9.3
298.05652	3.5
298.08850	1.9
322.07288	2.5
322.10739	28.8
340.11761	12.7
347.10330	2.0
350.10190	10.3
364.12857	4.6
368.11243	23.3
369.11322	2.3
382.13943	61.2
383.14230	4.0
384.10696	6.3
400.14716	18.5
400.31564	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	400.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87366	1.1
59.12624	1.1
60.05642	5.2
68.05026	16.0
68.99782	14.5
69.03424	2.2
69.05811	4.3
69.26331	4.4
69.26741	1.9
70.06590	72.0
71.04997	3.0
72.05642	3.5
73.06419	100.0
80.05013	3.8
86.06091	1.2
95.06052	1.3
96.04486	4.3
104.18642	1.6
105.07047	6.4
108.04478	2.1
111.63689	1.1
111.88763	1.2
112.08734	36.0
112.19620	1.2
120.04458	1.4
122.05969	1.5
128.08186	8.3
129.08978	27.6
130.09766	20.5
131.04935	3.1
139.00224	1.8
150.05493	2.9
162.05540	2.7
163.03944	1.4
166.99792	8.9
176.03487	5.1
185.00810	29.4
189.01868	1.8
190.04999	5.5
191.03333	2.5
207.02873	2.5
218.04475	70.4
219.02861	4.0
219.04846	1.8
236.05547	1.3
243.06583	2.3
271.06003	28.7
278.07709	6.3
293.08017	5.5
296.08813	2.9
322.10733	43.2
323.11246	1.8
340.11768	16.6
364.12738	3.1
368.30026	1.4
382.13931	54.9
383.14310	4.0
400.15048	14.4
401.15369	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	400.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03765	1.6
60.05645	5.6
65.40800	0.9
67.05527	0.9
68.05030	11.4
68.99785	11.3
69.05818	3.3
69.86676	1.1
69.90263	3.8
70.06592	55.0
71.04997	2.4
71.06889	1.3
72.05643	3.3
73.06420	100.0
79.05495	1.4
79.64684	1.0
80.05007	3.0
95.06102	2.6
96.04465	5.9
100.10602	1.0
103.05445	1.4
105.07044	4.7
108.04510	2.8
110.07200	1.8
112.08732	30.1
112.96745	1.2
120.04474	1.3
122.06042	1.8
128.08197	8.3
129.08992	26.4
130.09763	18.7
130.10725	1.7
131.04951	5.1
134.05997	1.2
150.05530	3.5
162.05504	1.9
166.99757	6.3
168.06685	1.0
169.01311	1.4
175.03909	1.3
176.03426	4.4
183.72034	1.1
185.00812	23.0
190.05032	4.9
190.72241	1.2
191.03426	2.6
194.04536	2.7
207.02863	1.9
209.00473	1.3
210.08862	1.7
218.04478	50.2
219.02882	3.8
219.04880	2.5
234.08896	1.2
236.05521	2.4
237.03960	1.1
260.06705	1.8
261.05038	1.1
263.01917	1.2
268.76364	1.2
271.05997	20.2
278.07727	8.5
280.09650	1.3
293.08203	5.1
296.08685	7.2
322.10736	31.7
323.11386	1.5
340.11807	10.9
364.12900	3.6
376.08337	0.9
382.13950	63.3
383.14294	4.1
388.62326	0.9
400.15085	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	400.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95397	0.5
54.03440	0.6
55.05472	1.8
56.05007	1.1
57.07038	0.6
58.06548	0.5
59.40944	0.5
60.05616	1.1
68.05024	2.7
68.99789	3.3
69.07063	2.5
69.97797	0.5
70.02909	1.7
70.06591	15.6
71.04972	0.6
71.43063	0.5
72.05582	0.7
73.06418	20.6
80.04990	0.6
83.03667	2.0
84.04434	0.6
84.08096	1.3
88.07628	6.7
91.05447	0.7
96.04494	2.3
98.02361	0.8
102.09119	1.6
103.05389	0.8
104.85508	0.5
105.03261	0.5
105.06997	1.1
110.05978	1.3
111.03177	6.6
112.08736	6.2
113.15639	0.5
124.87350	0.5
126.01816	2.0
128.08144	1.7
129.08977	6.1
130.05011	3.5
130.09750	3.3
131.04918	2.4
132.10185	0.9
134.51082	0.4
138.01816	1.7
139.02658	4.6
140.03452	1.1
148.03859	0.7
150.11244	0.7
152.03461	3.2
165.04135	1.2
166.01341	2.9
166.05013	0.6
167.02132	63.4
168.02933	10.6
169.01250	0.7
176.03386	1.0
180.02911	31.3
181.03342	0.7
185.00803	4.7
185.03188	32.1
185.71056	0.5
186.03555	0.6
190.04947	1.0
191.03531	0.7
192.02878	0.7
193.03683	0.9
194.04483	11.1
198.03973	2.0
218.02502	0.9
218.04477	11.6
219.02795	1.1
228.06531	0.8
229.07347	1.1
234.04050	0.5
236.09157	37.9
237.09479	1.6
254.10173	2.0
271.06088	2.9
271.08392	43.8
272.08975	4.7
278.07666	2.5
284.09152	5.1
293.07953	1.1
296.08676	4.0
298.10669	1.1
322.10663	4.1
338.10236	0.8
338.34122	3.9
340.15414	100.0
341.15790	6.6
364.12753	0.7
368.15039	2.0
382.13879	11.3
383.14014	0.9
384.10898	0.7
400.17889	13.3
400.37817	18.6
401.18176	1.1
401.38104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05507	11.0
56.05023	0.7
57.07074	1.9
57.19053	0.2
58.06594	1.9
62.06071	0.2
64.73457	0.2
67.05498	0.9
68.05007	0.3
69.07062	8.9
69.61183	0.8
70.06584	17.6
71.08623	0.8
72.08131	0.9
74.06066	0.9
75.92319	0.2
81.07045	0.7
83.08614	4.0
84.08144	0.5
84.08920	0.2
85.10181	0.3
86.06055	0.5
86.09714	0.3
88.07621	31.1
91.05470	0.3
95.08595	0.6
96.09449	0.2
97.10162	1.3
102.09169	14.0
103.09506	0.2
105.04240	0.2
109.10121	0.4
111.11754	0.2
114.09174	0.4
132.10182	2.2
145.10207	0.3
146.11749	0.6
150.11246	1.6
154.15936	0.3
294.31458	0.5
312.32605	0.4
338.34125	30.9
339.34540	1.7
356.35019	0.3
382.36734	2.4
400.37805	100.0
401.38193	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	401.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64545	1.3
56.96553	9.4
56.96792	1.4
67.41592	1.2
67.59811	1.5
69.39651	6.0
87.93983	1.3
98.97575	100.0
99.97903	2.8
100.97147	1.3
116.97765	2.8
116.98613	55.3
119.11611	1.6
134.99672	18.4
190.95187	1.7
210.68719	1.4
214.95454	1.8
216.98549	2.0
224.95401	1.3
232.96480	2.4
234.99913	2.0
240.98755	5.1
256.96414	2.6
258.99738	56.4
260.00031	3.1
260.99695	1.6
261.02930	2.5
263.02838	1.9
274.97498	26.9
275.97705	3.3
276.97696	4.5
277.00787	67.8
278.00873	4.2
279.00577	1.9
282.99939	7.9
284.00043	1.9
284.99792	2.4
285.99982	1.6
292.98532	16.2
293.98819	1.7
294.98419	3.4
301.00934	8.7
303.00882	3.8
318.98480	2.4
368.02811	1.5
382.99881	4.3
383.74973	1.4
401.01004	20.5
402.01166	3.1
418.97745	3.4
419.02679	2.3
422.73096	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	401.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91565	3.8
56.32532	3.4
67.74104	3.5
68.05029	5.7
68.99779	6.8
69.57519	9.2
69.57919	6.6
70.06593	30.0
71.77253	3.2
73.06425	51.4
82.58425	3.0
84.04498	9.7
84.08134	9.9
85.02905	9.4
95.01336	3.6
96.04495	7.9
99.11735	3.0
103.05495	5.5
112.08761	15.3
113.09012	5.7
114.10298	3.4
116.33250	3.0
128.08229	5.2
129.08983	12.6
130.04996	62.2
130.08598	3.3
130.09764	8.9
131.04897	16.7
131.10176	4.2
142.04927	3.7
150.51534	3.0
164.03366	3.8
167.02133	12.8
168.02940	23.6
182.04512	5.7
185.00810	13.2
185.03217	9.6
186.01134	6.6
190.05037	4.6
206.04388	6.2
214.49316	3.0
218.04413	18.1
219.04800	14.9
234.03938	26.0
271.05875	4.9
271.08517	7.1
272.06274	8.6
272.09155	29.0
279.08188	4.2
280.04486	13.4
297.08960	5.5
310.10739	3.8
322.10803	4.3
323.10953	16.9
338.10147	14.3
348.22345	3.7
365.13339	4.1
382.14084	6.2
383.14331	31.5
384.10617	32.9
384.14932	3.9
401.07919	100.0
401.13617	8.1
401.14944	7.5
402.08322	10.2
419.05786	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	401.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95451	3.5
60.05619	3.9
68.05029	9.1
68.99797	5.1
70.06600	46.1
71.06922	10.8
71.41850	4.1
73.06419	74.0
74.06744	4.6
77.85130	3.6
82.94479	3.5
84.04504	11.6
84.08128	12.5
85.02904	14.2
91.24913	3.9
96.04488	8.5
102.05534	5.4
103.05468	11.6
110.05970	6.4
112.08745	19.3
114.10288	6.6
118.77502	4.0
123.02058	3.4
128.08273	4.8
129.08948	14.0
130.04996	100.0
130.09665	11.8
131.04866	28.9
140.03401	7.1
142.05014	4.9
147.04427	4.0
164.03416	4.0
167.02150	19.8
168.02927	36.9
182.04483	6.6
185.00806	13.7
185.03189	10.6
186.01062	5.8
206.04488	9.5
218.04570	22.3
219.04842	17.5
234.04013	36.7
271.05847	5.0
271.08392	10.2
272.06342	10.3
272.09174	37.1
279.08221	6.2
280.04626	26.1
296.08829	5.9
297.09180	9.1
310.10529	6.5
323.11099	23.5
338.10114	26.7
341.12128	9.3
382.14008	4.9
383.14255	50.7
384.10773	34.0
400.24393	8.5
401.07794	74.2
401.14835	18.3
402.08102	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	401.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.05507	0.7
57.07067	2.5
59.04980	1.2
60.66571	0.4
61.01139	4.2
67.05491	1.9
67.30955	0.4
69.07042	0.6
70.02927	0.7
70.06583	6.4
70.18859	1.0
72.04512	12.3
72.08141	1.4
73.02895	1.9
78.03796	2.3
79.05509	0.4
81.03410	0.4
84.04496	0.6
84.08130	2.1
85.06528	5.0
86.09695	4.6
88.02209	14.8
88.35075	0.4
90.03774	0.5
92.57452	0.5
95.04954	2.3
96.08130	1.5
98.02399	2.3
98.06100	0.4
98.98479	2.9
99.05570	16.8
100.03971	0.6
102.03748	0.9
103.02155	11.7
110.07170	0.6
112.07625	2.1
113.06004	4.9
114.03739	5.2
114.05511	0.8
114.09161	0.8
115.05071	0.8
117.04813	0.7
120.04769	1.9
121.06442	0.4
124.07585	6.7
125.07081	2.6
126.09158	0.4
127.08653	0.8
129.10272	0.5
130.03256	1.1
130.08607	2.4
132.03809	0.9
132.04774	14.4
134.09674	0.6
136.06165	0.4
136.07536	0.9
141.06567	1.9
142.08624	17.7
143.08936	0.5
147.04405	0.5
149.07394	0.7
154.05051	0.4
155.08142	0.6
158.02716	1.7
159.05861	29.3
160.06172	1.0
166.08624	1.4
168.52888	0.4
171.24541	0.4
174.05827	4.5
175.05348	7.6
181.04990	0.8
183.04120	3.5
183.11267	0.6
184.09663	8.6
191.08537	1.1
201.06915	4.5
217.06494	0.5
243.11603	1.8
255.24400	0.5
261.12625	4.8
265.04721	0.6
273.12509	0.6
282.07266	0.7
285.12689	1.7
299.05536	0.5
303.13696	100.0
304.14011	4.9
305.49396	0.4
357.11304	0.5
399.63995	0.4
401.11658	10.5
401.24509	0.6
401.28955	0.8
402.12659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1136
Annotation	S-Acetylphosphopantetheine
Peak:m/z	Relative Intensity
55.01863	1.0
55.05507	0.7
57.07067	2.5
59.04980	1.2
60.66571	0.4
61.01139	4.2
67.05491	1.9
67.30955	0.4
69.07042	0.6
70.02927	0.7
70.06583	6.4
70.18859	1.0
72.04512	12.3
72.08141	1.4
73.02895	1.9
78.03796	2.3
79.05509	0.4
81.03410	0.4
84.04496	0.6
84.08130	2.1
85.06528	5.0
86.09695	4.6
88.02209	14.8
88.35075	0.4
90.03774	0.5
92.57452	0.5
95.04954	2.3
96.08130	1.5
98.02399	2.3
98.06100	0.4
98.98479	2.9
99.05570	16.8
100.03971	0.6
102.03748	0.9
103.02155	11.7
110.07170	0.6
112.07625	2.1
113.06004	4.9
114.03739	5.2
114.05511	0.8
114.09161	0.8
115.05071	0.8
117.04813	0.7
120.04769	1.9
121.06442	0.4
124.07585	6.7
125.07081	2.6
126.09158	0.4
127.08653	0.8
129.10272	0.5
130.03256	1.1
130.08607	2.4
132.03809	0.9
132.04774	14.4
134.09674	0.6
136.06165	0.4
136.07536	0.9
141.06567	1.9
142.08624	17.7
143.08936	0.5
147.04405	0.5
149.07394	0.7
154.05051	0.4
155.08142	0.6
158.02716	1.7
159.05861	29.3
160.06172	1.0
166.08624	1.4
168.52888	0.4
171.24541	0.4
174.05827	4.5
175.05348	7.6
181.04990	0.8
183.04120	3.5
183.11267	0.6
184.09663	8.6
191.08537	1.1
201.06915	4.5
217.06494	0.5
243.11603	1.8
255.24400	0.5
261.12625	4.8
265.04721	0.6
273.12509	0.6
282.07266	0.7
285.12689	1.7
299.05536	0.5
303.13696	100.0
304.14011	4.9
305.49396	0.4
357.11304	0.5
399.63995	0.4
401.11658	10.5
401.24509	0.6
401.28955	0.8
402.12659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1231
Annotation	4'-Demethylepipodophyllotoxin
Peak:m/z	Relative Intensity
56.96558	1.2
65.03915	1.4
66.86272	0.7
68.99785	2.1
69.54514	2.4
70.06589	1.8
72.08140	3.2
79.05459	0.9
86.09699	3.8
91.05474	2.2
95.04956	1.4
95.08582	0.9
97.22777	0.8
98.97564	4.1
103.05508	0.9
105.06992	1.0
107.04962	1.1
110.97571	1.1
111.08072	0.8
112.08659	0.8
116.98604	1.8
117.06961	0.8
119.04929	4.5
121.02861	37.0
121.03812	1.5
122.03187	0.9
126.43327	0.7
128.98625	1.1
129.07024	0.8
134.38062	0.7
137.02325	1.0
145.02834	4.6
145.06459	1.4
147.04424	2.2
147.08069	1.1
149.02348	0.8
149.05984	4.1
161.05943	0.9
163.03889	3.2
165.05479	11.6
166.05789	0.7
173.05978	1.7
175.03998	1.1
175.07555	2.1
191.06987	1.6
193.05005	2.2
201.05486	1.5
203.13887	0.8
209.04451	0.9
213.05498	0.8
219.01764	2.9
219.06473	1.6
223.07518	1.1
226.06212	1.0
229.04941	1.0
237.02818	2.6
239.07016	5.0
240.07663	1.2
241.08604	1.0
247.05969	3.0
251.07173	1.4
252.07722	2.3
253.05043	1.8
253.08548	1.1
254.05641	1.0
255.06519	21.0
255.12901	0.7
256.06921	1.1
266.05768	0.9
267.06607	4.6
267.10172	15.5
268.07446	1.5
268.10461	1.7
269.08041	4.0
269.11050	0.7
273.04013	0.9
277.08548	1.7
279.10117	3.6
281.08270	1.3
281.11737	2.7
283.06354	1.3
283.09644	15.1
291.10156	1.9
292.11078	0.8
293.08170	1.8
293.11786	2.3
295.09607	1.8
296.06708	1.3
297.11282	1.0
299.05505	11.8
305.37607	0.8
309.07700	1.0
309.11273	3.1
311.09094	25.2
311.12717	1.2
312.09494	1.8
321.11179	1.2
325.10593	2.6
327.08578	15.8
327.12076	1.3
328.08847	1.2
332.98123	2.6
337.10617	3.5
339.08725	1.3
339.12079	4.3
355.11707	4.1
365.10123	1.7
374.99057	1.2
383.11237	37.4
384.11542	2.9
401.12292	100.0
402.12711	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	401.1231
Annotation	Piscerisoflavone A
Peak:m/z	Relative Intensity
51.69112	0.6
55.01836	1.0
55.40472	0.6
67.05453	1.2
67.65948	0.7
68.99756	2.0
69.03395	0.8
69.07070	3.8
79.05491	4.1
81.07014	1.0
89.35323	0.7
91.05438	1.0
93.07028	0.7
95.04936	1.2
97.06530	10.6
98.04243	0.7
98.23519	1.5
107.04907	0.8
107.08525	0.7
117.06958	0.8
119.04321	0.6
119.04920	6.1
120.29332	0.7
121.02872	7.7
121.06495	0.9
123.00774	5.7
139.00226	2.7
141.01765	0.8
150.52989	0.7
153.01802	0.9
167.06976	1.9
168.00423	1.9
169.01234	2.8
169.96576	0.8
181.01193	0.8
213.05583	0.8
217.08644	0.8
219.02666	1.0
237.03973	2.3
241.04956	4.1
245.04364	1.4
255.06552	0.9
257.04437	13.4
258.04807	0.8
264.08472	0.7
269.04376	6.2
270.04886	0.8
271.06049	1.4
283.05978	2.8
285.03836	3.3
286.04681	7.4
287.05478	96.5
288.05814	5.7
297.03976	2.9
299.05423	2.9
310.04483	1.5
311.05829	0.8
311.09033	3.6
313.06955	3.5
321.07425	1.1
335.53061	0.7
339.08661	6.5
355.11700	1.9
357.18823	0.9
365.10165	1.3
383.11221	66.5
384.11502	6.6
401.12326	100.0
401.17517	6.6
402.12637	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	401.1231
Annotation	alpha-Peltatin
Peak:m/z	Relative Intensity
55.01863	1.2
58.38868	0.7
61.31027	0.7
65.03922	3.6
68.99779	3.2
70.50672	1.4
79.05485	1.3
91.05480	3.0
93.07031	0.9
95.04952	1.6
97.06516	2.5
100.11201	0.7
102.40530	0.9
105.07037	1.6
107.04949	1.2
107.08580	0.9
111.04449	1.6
115.05448	0.9
117.07017	1.4
119.04936	3.5
119.08585	0.9
121.02859	100.0
121.03882	3.4
122.03194	3.0
131.04927	0.7
133.06497	1.6
135.08076	0.8
145.02814	3.7
147.04424	2.4
147.08066	2.4
149.05948	5.9
161.05994	1.1
163.03900	6.4
165.05461	5.3
173.06006	1.6
175.07526	3.4
177.05440	5.5
191.07062	1.8
193.04993	4.5
193.08598	2.1
203.07030	1.0
213.05537	1.1
215.06976	0.8
219.06566	1.6
221.04390	1.9
221.08026	1.6
226.06326	0.8
239.07072	6.6
240.07611	1.4
241.08475	0.8
244.82677	0.8
247.06059	0.9
252.07817	2.7
252.78598	0.8
253.05109	1.1
253.08403	1.0
254.05547	1.3
255.06480	8.1
256.06964	1.0
265.08649	1.5
266.05762	2.9
267.06558	2.7
267.10175	12.7
268.07230	0.8
268.10651	0.9
269.07999	1.5
269.11771	0.9
279.06833	1.1
279.10135	2.0
281.08026	0.7
281.11752	2.3
283.06409	1.7
283.09631	6.0
283.13058	1.5
287.05441	3.1
291.10178	1.7
291.49704	0.9
293.08221	1.6
293.11774	1.4
295.09625	8.6
296.10226	1.2
297.11237	3.1
298.04657	0.8
299.05423	4.0
309.07870	0.9
309.11273	2.8
310.04593	2.7
311.09125	17.9
311.12701	4.0
312.09497	1.4
313.10571	1.2
321.07809	0.9
321.11258	1.4
323.09128	1.4
327.08655	5.6
337.10690	3.9
339.08578	7.6
339.12363	6.8
340.09317	0.9
341.10059	0.9
355.11737	5.9
357.09134	1.7
357.13324	20.6
358.13846	1.4
365.10275	2.3
383.11197	27.8
383.15863	1.7
384.11511	2.4
401.12292	90.8
402.12564	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	401.1229
Annotation	4'-Demethylepipodophyllotoxin
Peak:m/z	Relative Intensity
65.03934	1.5
68.99796	2.6
69.12485	5.3
71.83414	0.7
75.38667	0.7
77.60031	0.8
91.05481	2.1
93.91476	0.7
95.04974	1.2
97.06483	0.9
107.04910	0.9
111.04409	1.6
117.07018	1.6
119.04925	2.2
121.02860	57.7
121.03786	1.8
123.04444	1.2
133.06522	0.8
145.02863	3.0
145.06479	1.6
147.04407	1.7
147.08058	2.4
149.02266	0.9
149.05978	4.2
163.03883	4.9
165.05527	2.4
173.05981	0.9
175.07535	2.9
177.05457	1.7
181.06471	0.7
191.07086	1.3
193.04984	1.0
195.02838	0.9
198.12471	0.7
203.07037	0.8
211.07355	0.6
213.05548	1.1
219.06544	1.8
227.07121	0.8
229.04898	0.8
233.08098	1.6
237.07545	1.0
239.07007	14.0
241.08536	1.0
243.06790	0.8
251.07028	1.7
252.07866	2.4
253.08505	1.4
254.05847	0.8
255.06485	11.9
257.04492	0.9
261.07645	2.1
265.08536	1.5
267.06567	4.7
267.10162	27.4
268.07281	1.2
268.10443	1.3
269.08023	1.5
277.08502	2.2
279.10202	2.6
281.08408	1.2
281.11734	3.5
283.06018	4.6
283.09644	5.9
283.12689	1.2
289.07086	0.8
291.10120	2.0
292.07431	0.8
293.08270	1.0
293.11707	3.3
295.09546	8.9
297.11066	3.4
309.08026	0.9
309.11176	4.6
311.05515	1.2
311.09128	7.5
311.12741	2.8
319.09738	1.2
321.07593	0.8
321.11279	2.5
325.10611	1.1
327.08777	1.0
327.12280	3.1
337.10693	6.2
339.08545	2.9
339.12302	2.3
355.11722	24.1
356.12024	1.3
357.13330	3.0
365.10107	1.5
383.11203	44.1
384.11475	2.1
401.12271	100.0
402.12558	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.123
Annotation	4'-Demethylepipodophyllotoxin
Peak:m/z	Relative Intensity
50.05654	0.5
61.40953	0.7
64.37108	0.6
65.03928	2.3
68.99774	4.3
69.07059	0.7
70.17809	1.6
79.05492	1.2
91.05478	1.9
93.07055	1.3
94.44678	0.6
95.04955	1.7
96.32353	0.7
97.06523	2.8
102.30413	0.6
105.06993	0.9
107.04948	0.7
109.10161	0.6
111.04443	2.5
112.37987	0.6
119.04943	3.0
119.08610	1.2
121.02863	100.0
121.03876	3.4
122.03184	2.5
123.04367	1.0
132.89932	0.7
133.06474	1.2
145.02846	1.1
145.06490	0.7
147.04425	1.9
147.08023	1.8
149.05981	5.3
161.05963	1.3
161.64348	0.6
163.03874	5.7
173.05983	0.9
175.07562	2.6
177.05481	6.7
182.30684	0.7
191.07045	1.5
193.04927	2.3
193.08537	1.2
203.06999	0.9
205.04994	0.8
219.06392	1.0
221.04465	1.8
221.08101	1.2
239.07144	5.4
240.07777	0.7
244.50623	0.7
251.06970	0.8
252.07837	2.1
253.08478	0.8
255.06528	2.8
259.06049	1.2
265.08331	0.7
267.06787	1.2
267.10147	12.5
268.07071	0.8
269.08267	0.9
279.10129	1.8
281.08237	1.1
281.11597	1.2
283.06119	1.5
283.09698	3.3
283.12878	0.9
287.05432	3.6
291.10175	1.2
293.08160	1.2
293.11581	1.3
295.09641	10.2
296.10388	1.6
297.07962	0.9
297.11072	3.3
309.11160	1.9
311.09625	4.2
311.12085	4.3
321.11392	0.9
323.09244	0.9
327.12354	0.7
337.10706	2.3
339.08572	3.6
339.12274	5.8
340.12888	0.7
341.10184	1.0
355.11777	6.2
357.13324	29.5
358.13666	2.0
365.10263	2.0
383.11255	20.4
384.11362	2.0
401.12292	58.1
402.12552	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	401.1231
Annotation	4'-Demethylepipodophyllotoxin
Peak:m/z	Relative Intensity
50.36489	0.6
54.02073	0.7
65.03929	1.2
68.99763	2.0
69.89194	2.0
69.89534	0.8
77.03878	0.6
78.51130	0.6
91.05463	1.5
95.04975	1.1
98.22774	0.9
105.03426	0.9
106.85165	0.7
111.04434	0.9
117.06975	0.7
119.04931	2.3
119.08513	0.8
121.02862	41.4
122.03201	1.0
129.07031	0.7
131.04916	0.8
134.36555	0.6
137.02292	1.0
141.08974	0.8
145.02859	2.5
147.04433	2.1
149.05960	2.6
163.03911	3.7
163.73540	0.6
165.05472	9.7
173.06033	0.9
175.07558	1.8
177.05421	3.4
185.26953	0.6
191.07022	0.9
193.04996	3.5
201.05406	1.7
202.06184	0.9
203.06935	0.8
205.33902	0.6
213.05539	0.7
219.06580	1.3
221.04456	1.5
229.05054	1.1
232.27396	0.7
239.07071	5.7
240.07608	0.9
249.09186	1.3
250.09813	0.8
251.07086	1.2
252.07808	1.3
253.04922	1.4
253.08510	1.0
254.05589	0.7
255.06520	16.2
256.06879	0.8
265.08600	1.7
266.05780	10.5
266.08661	1.2
267.06522	4.6
267.10059	6.1
276.07730	0.7
277.08633	1.0
279.10049	1.4
281.08289	0.8
281.11615	1.5
283.06567	1.3
283.09634	10.2
284.09766	0.9
291.10129	2.0
292.07245	1.0
293.08011	2.9
293.11374	1.2
294.08850	0.9
295.09604	4.3
296.06775	1.0
297.11115	0.8
298.04733	2.7
299.05502	7.4
309.07916	0.9
309.11230	2.3
310.04639	6.1
311.05615	0.9
311.09085	15.1
311.12564	0.9
312.09335	0.8
319.09659	0.9
321.07596	2.7
321.11188	1.8
323.09140	1.7
327.08633	10.7
337.07092	1.0
337.10327	3.0
339.08594	18.2
339.12344	5.8
340.09119	0.9
355.11780	3.1
357.09476	1.4
357.13379	2.9
365.10382	4.3
383.11243	17.7
383.15903	1.4
384.11713	1.5
396.35632	0.7
401.12283	100.0
402.12543	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1231
Annotation	4'-Demethylpodophyllotoxin
Peak:m/z	Relative Intensity
61.42140	0.7
65.03929	1.6
68.99769	2.7
71.60999	0.7
72.08144	0.9
72.59470	0.7
79.05489	1.0
81.07052	1.5
83.02170	0.8
87.61439	0.8
91.05489	2.1
93.07051	1.3
93.88701	0.8
95.08587	0.9
105.07046	1.4
107.04980	1.3
111.04427	1.8
119.04925	3.5
119.08569	0.8
121.02862	59.9
122.03264	0.9
123.04445	1.1
131.04980	1.2
131.13609	0.8
133.06416	1.0
137.02330	0.9
141.01906	0.7
145.02847	3.2
145.06511	1.3
147.04410	1.2
147.08138	1.2
149.05992	4.7
153.38390	0.8
163.03902	5.3
163.07465	0.9
165.05495	1.7
169.04999	0.9
173.06042	0.8
175.07541	2.1
177.05470	1.6
189.09097	0.8
191.06982	1.6
193.04991	1.2
193.08630	1.0
197.06111	0.9
201.05487	1.1
203.16649	0.7
213.05446	1.4
215.07080	1.5
217.02374	0.7
219.06503	1.4
227.07088	1.4
229.04805	1.0
239.07057	12.1
241.08640	1.0
252.07880	2.2
255.06560	12.1
257.04306	1.0
261.07568	2.5
265.08606	1.3
267.06631	4.9
267.10184	25.3
268.07278	1.5
268.10345	1.7
269.07980	1.5
277.08572	1.9
279.10107	2.6
280.10797	1.0
281.07950	1.2
281.11594	2.0
282.51190	0.8
283.06070	3.2
283.09674	5.9
291.10196	2.5
293.08246	1.2
293.11627	1.8
295.06409	1.5
295.09579	7.4
297.11191	2.5
309.07745	1.0
309.11038	4.3
311.05560	1.3
311.09134	6.8
311.12628	2.3
319.09680	1.4
321.11124	2.3
327.08676	1.5
327.12262	1.8
337.10687	6.3
339.08627	2.5
339.12277	3.3
355.11746	20.7
356.12064	2.1
357.13287	1.1
383.11221	34.8
384.11450	2.7
401.12296	100.0
402.12637	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	401.1232
Annotation	Lespedezacoumestan
Peak:m/z	Relative Intensity
53.37909	0.4
55.01847	0.6
68.99435	0.4
68.99788	5.5
69.03418	0.4
69.07043	1.2
70.55632	0.7
79.05461	1.5
84.08101	0.7
91.05456	0.6
95.04921	0.6
97.06509	3.4
98.21780	0.4
119.04939	8.6
121.02867	6.5
123.00758	1.4
127.84569	0.5
131.04897	0.6
139.00256	11.0
148.04997	0.5
149.05878	0.4
168.00600	2.0
169.01337	1.2
173.06223	0.4
185.00833	0.6
186.01563	1.2
210.14856	0.4
211.03899	0.6
229.04915	0.6
241.04968	0.7
247.06126	0.9
257.04434	53.9
258.04813	2.6
265.07059	1.0
269.04449	1.2
271.05988	0.7
281.08447	0.6
285.03915	37.7
286.04575	10.3
287.05472	26.1
288.05792	1.4
297.04181	0.5
297.07773	0.4
299.05487	1.9
313.07126	0.7
337.10837	0.5
339.08746	2.1
347.03448	0.6
355.11795	1.0
383.11218	100.0
384.11533	8.4
401.12219	10.1
402.12985	0.7
410.07007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.1
56.81459	0.4
57.03420	1.0
66.03076	0.4
68.05021	4.1
69.03417	0.5
69.20488	0.7
69.20881	1.8
70.02950	0.8
70.06573	0.7
73.06400	0.9
75.68272	0.4
78.38760	0.4
82.06564	0.4
82.20182	0.4
83.03708	1.1
83.87220	0.4
84.04495	17.9
84.08128	1.1
85.02893	18.0
85.08488	0.4
87.04453	0.7
90.36275	0.3
92.05008	0.8
95.00761	0.5
95.01295	2.4
96.04485	6.6
96.16087	0.4
98.02388	0.4
102.05532	7.5
103.05447	6.3
104.05759	0.4
105.03383	0.4
110.06024	2.5
111.03168	2.7
111.06345	0.5
112.03936	1.8
114.05513	2.9
124.03943	4.3
126.01856	0.9
130.04984	100.0
131.04893	19.1
132.05196	1.2
138.05484	4.5
139.00278	0.9
139.02618	2.5
140.03398	5.8
142.04968	5.3
147.04387	0.5
152.96989	0.4
164.03404	11.2
166.04959	1.5
167.02122	30.8
168.02901	46.5
169.03214	0.7
169.06117	0.9
170.04494	1.3
178.01439	0.4
178.04982	0.8
182.04478	7.2
184.05966	0.5
185.03163	9.0
185.04701	0.8
188.03406	1.3
192.02837	2.1
206.04462	13.4
206.98906	0.4
207.04811	1.0
210.03940	1.6
212.05482	1.1
224.05544	0.7
226.08633	0.9
234.03934	39.4
235.04256	1.5
252.05014	1.4
262.03418	3.4
271.08359	12.7
272.09128	47.0
273.09549	2.1
279.06070	2.3
280.04477	27.4
281.04803	1.0
282.07440	0.5
296.09131	0.8
310.10709	5.9
311.11209	0.6
338.10165	27.4
339.10516	1.5
343.86050	0.4
345.48279	0.4
355.12784	1.5
356.11066	2.7
366.09576	1.6
369.11340	0.9
383.12241	9.4
384.10703	40.5
385.10840	3.2
401.13293	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	401.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02338	1.3
56.05026	2.0
60.05653	2.0
61.82143	1.1
68.05021	4.9
68.99798	4.3
69.03449	2.1
70.06589	18.6
70.46896	3.3
71.06923	3.0
72.05678	1.3
73.06420	21.7
74.06760	1.8
80.04983	2.0
81.15351	1.2
84.04501	21.8
84.08132	3.6
85.02903	15.6
91.05505	1.3
96.04496	8.7
102.05556	8.7
103.05453	6.5
103.91674	1.1
105.07011	1.8
110.06027	5.1
111.03171	3.1
111.06367	1.7
112.08722	5.8
114.05531	3.6
116.52734	1.4
123.00786	2.1
124.03950	2.8
128.08179	1.6
129.09035	6.2
130.04999	100.0
130.08633	3.2
130.09685	3.5
131.04906	19.3
138.05489	4.5
139.00284	1.6
140.03389	3.5
142.04974	3.2
149.02370	3.2
151.00243	2.4
157.53371	1.2
160.03969	1.3
164.03372	8.4
166.05022	1.4
166.99821	1.9
167.02139	26.7
167.03419	2.3
168.02913	39.5
169.01408	1.7
169.03249	1.3
178.04974	2.3
182.04482	5.2
185.00826	3.6
185.03172	8.1
186.01166	1.6
192.02809	1.8
192.72426	1.5
198.00291	1.2
206.04494	15.3
207.04704	1.9
216.18158	1.4
218.04541	6.8
219.02843	1.7
219.04745	6.9
220.06085	1.5
233.05605	1.7
234.03963	38.7
234.06329	2.0
235.04370	1.9
235.53047	1.4
252.05147	1.7
262.03503	1.8
271.05933	1.9
271.08438	9.8
272.06400	3.0
272.09143	38.5
273.09451	3.7
278.07690	1.6
279.08353	1.6
280.04495	47.6
281.04825	1.5
296.09045	1.3
310.10675	3.5
323.11163	6.2
338.10184	26.3
341.12027	1.8
355.12927	3.6
365.13132	2.5
366.09744	2.0
383.14423	21.7
384.10678	43.1
385.10883	3.1
393.48572	1.3
401.14368	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.90109	1.5
57.08648	1.6
65.03947	2.0
66.07166	1.7
69.10027	13.0
79.05488	18.8
81.07069	3.9
84.08147	3.5
91.05503	10.1
95.05001	8.9
103.05475	2.4
105.06987	2.6
107.04949	42.7
109.06522	1.8
110.06084	2.7
115.05461	5.6
116.06239	4.4
117.07028	3.4
119.04921	4.0
121.02856	25.7
121.06535	3.7
123.04417	6.0
124.05236	4.7
125.05984	2.6
128.06235	6.3
129.07018	10.1
131.04927	2.0
131.08536	12.6
133.06520	3.5
135.04434	2.5
141.06985	5.9
144.05659	11.5
145.06468	7.9
147.04399	6.2
149.05980	4.3
152.04675	6.4
153.05420	3.2
156.05693	28.8
157.06474	3.9
158.07257	3.8
159.08058	21.6
161.05983	5.7
163.03920	11.8
167.07033	100.0
168.07330	2.8
169.06441	3.9
172.05206	3.4
173.05989	5.5
174.88553	1.9
175.07610	4.5
177.05525	3.1
179.07014	4.6
181.05045	2.6
181.06487	3.4
181.08615	5.3
183.08029	2.0
184.05185	9.0
186.06754	4.9
187.07533	17.5
190.06242	3.1
191.08565	3.1
193.08560	3.9
195.06525	3.9
202.06142	13.6
203.08675	2.8
204.07819	3.5
205.06601	4.0
205.08601	21.7
207.06476	12.0
207.10010	2.5
208.05150	11.7
208.08751	2.9
209.05870	2.3
209.08115	3.4
210.06781	5.0
211.07491	5.0
215.07018	4.7
217.08568	77.5
218.07312	5.3
219.07988	10.0
219.10187	8.6
220.08873	7.9
221.06017	4.7
221.07893	2.5
225.05557	2.0
227.07224	2.4
229.08592	3.7
230.07121	2.5
231.04904	2.4
231.08041	5.7
231.10097	3.4
232.08838	3.6
233.05986	2.6
233.09702	6.2
235.07539	3.9
236.08287	4.2
237.09148	3.2
238.06250	4.1
239.07062	5.4
241.04973	2.9
241.08609	2.7
246.06793	2.9
247.07483	13.8
247.09700	26.9
248.08267	17.0
249.05666	3.3
249.09093	5.4
251.07030	2.8
251.10460	2.3
254.05785	4.3
255.06540	4.4
256.07306	2.7
257.04327	3.0
259.07571	4.1
261.09140	5.9
262.09872	5.6
263.07281	4.3
263.10675	14.7
264.07770	7.0
265.08517	6.1
266.05743	2.8
267.06430	5.4
267.09946	2.5
269.08215	12.7
271.09619	19.0
273.09052	2.7
275.06924	5.5
276.07797	10.4
277.08563	8.5
278.05817	2.2
278.08969	2.7
279.06973	1.8
279.10159	8.1
280.10889	2.6
281.08069	5.1
281.11285	2.6
282.08902	9.4
285.07816	2.4
287.09250	2.0
289.08490	2.9
290.09329	5.2
291.10168	16.5
292.07397	3.3
292.10751	2.2
293.08044	10.8
293.11624	6.3
294.08630	2.1
295.06085	2.3
297.10904	3.3
299.09189	9.5
301.07169	3.9
305.08069	3.2
307.09683	7.1
308.10440	7.2
309.07761	3.0
309.11136	5.0
310.08368	4.1
311.09192	2.0
311.12799	4.6
315.08612	36.1
316.09146	5.8
318.08698	2.1
319.09628	7.4
321.07498	5.5
321.11292	5.0
323.09302	3.3
323.12701	17.1
325.10599	2.6
328.09561	2.2
330.10950	42.0
331.11716	23.2
335.09204	2.2
336.09875	8.2
337.10587	9.3
339.12231	8.9
340.13290	2.4
343.11798	9.7
351.12354	33.1
352.12918	7.4
353.10077	5.1
355.11835	3.3
356.12424	3.7
357.13345	3.3
368.12500	8.0
369.12894	2.7
371.14972	2.6
383.15027	48.2
401.11319	14.8
401.16901	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03946	1.6
69.03429	1.7
69.25444	6.2
69.25851	2.9
70.06591	3.5
73.06429	5.2
78.04711	1.9
79.05492	17.0
85.02915	2.1
87.69940	1.7
91.05476	7.3
95.04983	5.0
98.23532	2.7
100.07627	2.8
103.05463	3.6
107.04948	31.9
115.05490	5.8
116.06240	3.9
117.07011	3.0
120.46851	1.6
121.06448	1.8
123.04451	5.6
124.05196	6.1
124.06069	1.8
124.19933	1.8
125.05980	2.9
126.75192	1.6
128.06250	4.7
128.43068	1.6
129.07007	8.8
131.04956	6.5
131.08597	7.3
135.09184	2.0
141.06995	5.5
144.05707	6.2
144.84338	2.1
145.06490	5.5
147.04420	5.5
152.04651	3.4
153.05394	1.6
153.10162	2.2
155.06029	2.4
156.05629	9.3
157.06479	5.8
158.07292	3.0
159.08029	16.2
161.05896	3.2
165.06973	2.5
167.07031	78.3
169.06451	3.0
170.07275	1.9
172.05133	2.2
173.05930	3.9
174.06740	2.2
175.07526	2.0
177.05412	1.8
179.07077	2.0
184.05130	2.4
186.06801	7.5
187.07477	9.5
190.06239	2.2
190.07799	3.3
191.06934	2.6
191.08537	3.7
192.09373	2.0
195.08090	2.0
201.09131	3.0
202.06218	4.2
202.07802	4.7
203.08595	3.9
204.07835	3.0
205.06653	3.3
205.08627	8.8
207.06566	3.7
207.08220	2.3
208.05215	12.8
208.08824	4.6
210.06824	2.5
211.07527	4.5
215.06821	2.5
215.08669	3.6
217.06573	2.3
217.08542	24.6
217.10477	2.4
218.05214	1.6
218.07285	6.6
219.08054	17.6
219.10193	5.5
220.08810	5.4
221.06000	5.9
221.09338	2.4
222.06459	2.2
229.08569	13.4
230.07294	2.2
231.07976	10.0
231.10120	2.6
232.08856	3.3
233.05991	4.2
233.09627	6.6
234.06715	4.5
235.07480	4.2
236.04765	2.0
236.08318	6.5
237.09061	3.0
238.06337	3.1
239.07057	5.3
241.04939	2.1
244.08769	2.0
245.09599	3.1
246.06866	3.3
247.07503	16.6
247.09698	23.9
248.08269	16.3
249.05544	4.1
249.09065	4.8
250.06070	4.5
250.09151	1.7
251.06944	3.4
251.10606	1.9
253.08531	1.9
254.05865	3.9
255.06422	2.2
258.06912	3.3
259.07571	5.3
260.08264	2.7
261.05411	1.9
261.09039	7.9
262.09839	5.7
263.07138	4.4
263.10669	14.9
264.07858	13.2
265.08640	7.4
266.05795	2.2
266.08954	1.7
267.06427	9.2
269.08096	10.4
271.09634	9.2
275.07083	8.4
276.07669	9.7
277.08655	8.1
278.05713	2.8
279.06995	2.8
279.10071	15.9
280.10699	2.6
281.08188	2.8
282.05957	2.7
282.08792	13.2
285.07507	3.0
289.08612	3.0
290.09375	6.1
291.06854	4.1
291.10159	17.6
292.07639	3.5
292.10748	3.3
293.07983	13.0
294.08728	2.6
295.06119	2.1
295.09494	2.7
296.10352	2.6
299.09097	7.9
301.07068	3.6
305.08093	5.0
306.04800	6.1
306.08264	2.2
307.06232	2.9
307.09549	17.3
308.10294	9.7
309.07556	3.5
310.08337	7.1
311.12680	2.0
315.08560	38.1
316.09106	3.6
318.08972	2.1
319.09521	10.6
320.10266	3.0
321.07623	5.5
321.11234	3.4
322.07861	2.0
322.11630	3.1
323.07108	4.2
323.12802	17.7
328.09317	5.7
330.10938	35.9
331.11642	14.0
336.09808	6.4
337.10733	8.5
339.12109	9.8
343.11823	21.5
351.12335	28.1
352.12872	5.3
353.10159	10.0
356.12454	5.5
368.12442	13.5
369.13129	3.3
371.14847	8.2
383.14847	100.0
384.15204	6.4
401.16196	18.9
402.15985	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93269	1.7
53.07767	1.4
58.45957	2.2
69.03426	2.4
69.23603	8.6
72.08157	1.9
79.05493	14.2
81.03419	3.8
84.04517	1.7
84.08171	2.3
85.02911	5.3
87.00836	2.4
91.05479	8.7
91.66197	1.8
95.04971	3.6
96.04488	67.3
97.02891	7.8
103.05473	2.2
107.04945	25.3
115.05445	4.2
116.06259	2.6
123.04459	3.6
124.05227	5.1
125.06017	2.4
127.03953	2.2
128.06230	3.8
129.07024	8.7
131.04948	8.9
131.08551	10.1
137.05966	13.4
141.06985	6.7
144.05696	10.7
145.06487	5.1
149.05949	2.9
152.04660	4.2
153.05476	3.1
154.08623	26.5
154.09766	2.8
156.05594	11.6
156.06802	2.4
157.06528	6.5
158.07265	3.7
159.08051	14.5
161.05989	3.1
165.06935	3.2
167.07034	55.9
168.07391	2.9
169.07669	3.5
172.05159	2.2
173.06047	2.9
174.07741	3.1
177.05489	3.9
178.07759	2.7
181.04994	2.1
181.06508	1.9
181.08624	2.2
186.06790	6.7
187.07478	9.8
189.07030	3.7
190.06190	2.0
190.07828	3.9
191.07030	3.3
191.08627	4.7
193.01385	2.4
193.08592	2.3
195.06461	2.5
195.08118	2.2
197.06059	2.0
200.08316	2.2
201.09085	3.7
202.06206	4.3
202.07870	2.6
203.08578	3.0
205.06779	3.3
205.08653	9.9
207.06468	3.9
207.08211	2.4
208.05125	8.5
208.08873	3.4
210.06624	3.4
215.06911	3.4
217.08559	23.8
218.07315	6.1
219.08052	15.9
219.10205	5.0
220.08768	8.1
221.05971	4.5
221.09557	3.0
229.08630	10.6
230.07100	2.8
231.08031	9.0
231.10150	3.3
232.08797	3.5
233.05997	2.9
233.09650	5.0
235.07487	6.6
235.11198	3.1
236.08337	6.9
237.08937	2.3
238.06351	2.8
239.07062	3.0
239.12752	2.2
245.09631	3.9
246.06836	3.5
247.07495	15.7
247.09764	16.2
248.08282	15.1
249.05562	3.6
249.09024	5.9
250.06339	2.6
251.10690	6.2
254.05774	2.3
258.06836	2.7
259.07700	4.3
260.08472	2.6
261.05527	2.1
261.09088	5.8
262.09885	5.3
263.07166	4.6
263.10684	12.3
264.07788	11.1
265.08585	10.2
267.06540	2.2
268.10974	2.8
269.08130	8.1
271.09644	6.2
274.06345	2.0
275.07031	8.2
276.07809	9.5
277.05304	3.0
277.08606	8.3
278.05798	3.0
278.09357	3.4
279.10144	10.6
281.08160	3.4
282.08817	8.2
289.08792	2.9
290.09360	6.9
291.10196	15.8
292.07321	7.2
292.10452	2.8
293.07986	13.1
294.08420	2.2
296.10416	3.4
299.09204	4.1
301.07172	2.3
304.07535	2.1
305.08139	4.1
305.11578	3.1
306.08603	2.1
307.09619	13.4
308.10440	7.7
309.07718	2.1
309.11130	3.0
310.08279	3.9
311.12811	5.8
315.08569	25.2
316.08893	2.3
319.06638	3.1
319.09723	7.2
320.10373	2.9
321.07593	4.9
321.11060	2.9
322.08334	2.2
323.12766	14.0
324.09888	3.7
325.10516	4.1
330.10941	19.7
331.11493	10.1
336.09845	8.1
337.10580	8.5
338.07770	3.6
339.12320	11.9
341.09961	2.1
343.11758	8.2
350.11676	2.2
351.12311	21.6
352.12909	5.5
353.10220	9.9
356.12738	2.7
368.12503	14.9
371.14984	4.7
383.14865	100.0
384.15240	8.1
401.02548	2.6
401.16034	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59106	1.1
67.45152	1.0
69.03422	1.6
69.16400	7.3
78.04685	1.6
79.05489	11.7
81.07070	1.5
84.08144	2.3
85.02909	2.2
85.06580	1.6
91.05487	5.2
94.04219	1.2
95.04960	4.6
96.04494	19.7
97.02899	2.9
98.22687	2.0
99.90241	1.2
100.11247	1.6
103.05484	1.9
105.04509	2.0
107.04250	2.1
107.04945	24.9
111.05475	1.3
111.54300	1.1
114.10279	1.8
115.05440	3.8
116.06232	2.9
117.07002	1.8
119.04956	1.4
122.03632	1.3
123.04379	3.7
124.05183	4.0
125.06035	1.5
127.03924	2.5
128.06221	2.7
128.07082	1.3
129.06979	7.7
131.04927	7.9
131.08563	10.6
137.05968	8.9
141.06981	6.4
144.05690	7.4
145.06470	4.1
147.04408	1.4
151.03979	1.2
152.04678	3.8
154.08620	6.4
156.05556	8.4
156.06767	2.2
157.06471	4.1
158.07262	3.2
159.08055	14.4
161.06029	2.7
163.03883	2.6
165.06999	3.6
167.07036	51.6
168.07349	1.9
169.06421	2.3
169.07660	2.9
170.07309	2.3
172.05200	2.7
173.06001	2.6
173.09628	1.3
179.07080	2.2
179.08578	2.0
181.04973	1.7
182.07056	1.6
184.05199	2.5
186.06787	6.2
187.07529	10.1
189.06973	2.1
190.06209	1.5
190.07733	3.8
191.06995	2.6
191.08571	4.1
193.06543	1.6
195.06607	2.8
197.09731	1.6
200.08363	1.8
201.09042	4.3
202.06270	2.0
202.07790	3.6
203.08510	2.9
204.07715	2.3
205.06488	3.9
205.08591	10.6
205.10100	1.3
206.07178	1.8
207.06503	6.0
207.08171	3.0
208.05228	5.4
208.08777	3.6
209.05917	2.3
210.06741	1.8
210.14886	2.0
211.07549	2.8
211.15105	1.4
214.06250	1.6
215.06848	2.7
215.08641	3.5
217.06711	0.9
217.08568	24.0
217.10449	1.7
218.07251	6.8
219.04881	2.1
219.05876	1.5
219.08028	17.9
219.10152	4.4
220.08711	5.7
221.05893	6.4
221.09572	2.3
222.06796	1.3
223.07477	2.2
229.08632	12.0
230.07138	2.0
231.08044	9.7
231.10124	2.2
232.08876	2.4
233.05971	3.0
233.09665	6.4
234.06702	3.2
234.10374	2.5
235.07521	6.2
235.11166	2.1
236.04575	2.7
236.08347	6.9
237.05074	1.6
237.09100	2.3
238.06184	2.0
240.04259	2.6
243.07822	1.3
245.09630	4.6
246.06776	3.2
247.07492	15.4
247.09695	21.1
248.08224	14.1
249.05582	3.2
249.09097	3.4
250.06244	2.4
251.10635	2.8
253.08542	1.3
254.05759	3.1
254.42532	1.3
255.06491	2.4
256.07266	1.8
259.07443	3.8
260.08145	2.3
261.05255	1.4
261.09109	8.2
262.06122	2.7
262.09851	5.3
262.44467	1.1
263.07050	4.8
263.10623	10.7
264.07770	12.3
265.08575	7.9
266.09262	1.3
267.06503	4.6
267.09982	1.3
268.10944	1.8
269.08069	7.3
271.09744	6.3
274.06262	1.7
275.07034	8.2
276.07779	9.8
277.05240	1.4
277.08560	6.4
278.05640	3.6
278.09418	1.8
279.06964	1.8
279.10172	13.3
280.07339	2.2
280.10739	3.3
281.08057	3.1
282.05765	1.3
282.08871	5.5
284.06750	1.3
289.08591	2.8
290.09293	6.1
291.06787	2.1
291.10120	17.0
292.07312	6.0
292.10455	2.3
293.08057	13.8
294.08560	2.4
295.09628	1.6
296.10449	2.2
297.11063	1.5
299.09055	4.2
301.07101	3.5
305.08032	3.8
305.11584	2.8
306.08878	2.1
307.06161	1.9
307.09540	17.7
308.10440	10.5
309.07675	2.3
309.11157	2.2
310.08176	4.7
311.09229	1.6
311.12668	5.1
315.08572	22.4
316.09219	2.5
319.09705	11.5
320.10245	2.4
321.07581	5.0
321.11020	2.5
322.08191	2.9
322.11911	3.3
323.09180	1.8
323.12726	14.7
325.10599	3.6
328.09344	3.2
330.10959	22.5
331.11618	6.1
333.11304	1.7
335.09106	2.0
336.09958	5.6
337.10626	6.5
338.07700	2.8
339.12213	13.1
340.12640	1.7
341.13376	1.6
343.11746	8.5
350.11438	1.9
351.12274	24.3
352.12933	4.9
353.10135	10.2
356.12576	3.9
368.12561	17.5
371.14993	3.8
383.14890	100.0
384.15125	7.5
400.26221	1.4
401.16019	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99781	4.1
70.06579	16.2
73.06421	22.6
74.06764	3.8
77.03954	3.2
79.05491	21.6
81.07024	2.7
84.08150	10.8
91.05489	9.0
95.04973	8.1
96.04497	3.0
105.07037	4.0
107.04945	39.3
110.06023	24.8
111.06390	8.8
112.08731	5.4
115.05452	6.2
116.06293	2.7
121.06528	8.2
123.04449	5.3
124.05215	6.6
128.06218	3.7
129.07007	9.8
129.09018	4.7
131.04926	9.6
131.08565	12.9
141.07042	6.0
144.05740	8.9
145.06534	7.0
147.04431	5.6
148.04741	5.1
152.04648	4.4
152.07166	2.9
156.05687	24.6
157.06528	7.3
158.07295	2.8
159.08040	19.9
161.06004	3.1
167.07033	100.0
168.07399	4.5
173.06029	4.1
182.99295	5.5
183.08069	4.3
184.05237	7.6
185.00822	3.5
187.07541	9.8
191.06966	3.8
195.06502	5.5
202.06256	10.0
202.07899	3.8
204.07991	3.0
205.06761	4.4
205.08517	17.2
206.04576	6.0
207.04846	3.4
207.06563	10.4
208.05089	14.1
209.08130	3.9
210.06834	5.0
211.07608	3.4
217.06532	3.1
217.08563	57.5
217.10509	4.7
218.04604	6.8
218.07164	4.9
219.04834	7.7
219.08058	15.7
219.10049	5.6
220.08893	8.3
221.00871	4.1
221.06015	6.3
229.08658	8.9
230.04564	4.0
231.04967	4.1
231.08118	9.9
233.09563	5.9
235.07591	5.7
236.08337	4.3
239.07056	5.3
245.09448	4.4
247.07492	10.3
247.09705	25.7
248.05852	3.4
248.08337	13.1
249.05789	7.1
249.09047	5.8
251.10582	3.1
254.05754	3.6
255.06488	3.9
259.07376	3.1
261.08939	4.6
262.09869	5.3
263.06903	4.6
263.10699	10.9
264.07831	10.6
265.08676	7.4
267.06583	4.8
269.08023	14.0
271.09653	17.7
272.06500	9.3
275.07138	7.9
276.07776	11.2
279.10242	8.5
282.08774	7.3
287.09216	4.6
290.09311	7.6
291.10196	17.7
292.07327	5.7
292.10562	4.2
293.08221	13.7
295.09738	3.2
299.09088	7.4
301.07062	5.2
305.11465	4.7
307.09558	11.7
308.10461	8.0
309.07660	5.0
310.08298	3.7
311.12817	5.1
315.08572	40.8
316.09283	3.6
319.09625	8.9
321.07605	6.9
321.11090	3.4
323.13065	13.9
328.09421	6.8
330.10980	47.4
331.11771	15.7
336.09964	6.9
337.10660	7.8
339.12195	5.0
343.11719	8.7
351.12302	24.1
352.13068	7.2
353.10013	6.6
368.12546	11.5
369.11688	4.0
371.15012	4.3
383.14792	66.4
384.14975	3.4
401.15909	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	401.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04849	0.4
54.58374	0.3
55.05502	0.4
56.05033	4.0
57.90837	0.3
67.05501	1.2
68.05035	0.6
68.99791	0.7
69.05804	0.7
69.78497	0.3
70.06589	2.2
71.05009	0.4
71.06910	0.6
73.06421	4.4
74.06756	0.4
82.06557	0.4
84.08140	100.0
85.06528	0.4
85.08456	1.6
93.23042	0.4
95.18939	0.4
97.02889	0.4
100.07595	0.5
102.66838	0.3
103.05465	0.7
105.07041	0.5
110.06030	0.6
111.03165	0.5
111.55763	0.4
112.08722	1.1
114.10297	0.3
119.77421	0.3
129.08961	1.1
130.08636	62.5
131.04913	2.2
131.08951	1.2
131.10049	0.3
140.03442	1.0
167.02153	3.1
167.07024	0.6
168.02916	6.7
182.35870	0.3
182.99202	0.4
185.00766	0.5
185.03288	0.6
191.03273	0.4
206.04498	0.6
218.04486	1.4
219.02829	0.5
219.04817	1.7
234.07602	1.7
242.51881	0.4
255.39680	0.3
264.07828	0.5
269.07928	0.6
272.06360	0.8
272.09149	3.6
294.08447	0.4
297.09122	0.4
323.10925	1.1
335.08844	0.4
338.13715	1.8
341.11734	0.6
351.11945	0.4
369.11038	0.6
383.14365	4.0
395.20868	0.3
401.17023	7.1
402.17114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
56.96567	0.7
68.31763	0.6
68.99779	1.4
69.07059	1.1
69.59697	2.8
77.25172	0.6
79.05476	1.2
81.07039	0.8
86.09720	0.7
91.05457	1.0
93.07083	0.9
97.06527	1.0
98.22762	1.3
98.97598	1.0
105.07021	1.1
119.04890	0.8
119.06341	0.7
120.64906	0.6
121.02856	14.4
121.06490	1.2
133.06548	0.7
147.37180	0.7
153.01817	2.0
163.03856	1.0
167.03169	0.7
169.01340	1.3
181.01286	3.4
185.04327	0.7
187.07562	0.8
191.03468	0.6
193.04831	0.7
195.02917	2.0
199.02388	2.4
203.03389	1.2
205.01242	0.9
219.02913	2.9
221.04491	1.4
227.05185	1.2
237.03935	4.2
247.06042	1.0
249.67041	0.8
257.04422	2.1
265.07138	1.3
271.04233	2.3
283.05994	0.9
286.04630	4.4
287.05518	6.9
289.05325	1.3
299.05496	12.1
300.05823	1.6
305.05435	0.9
310.04523	1.5
311.05386	2.6
311.08749	1.5
313.07007	4.5
315.17703	2.6
325.07043	1.1
327.08795	1.0
339.08698	7.9
355.11722	5.0
357.18799	20.1
358.19144	1.0
365.10202	1.4
383.11206	21.7
384.11517	2.2
401.12225	43.3
401.17752	100.0
401.28714	2.7
402.12561	2.5
402.17960	7.4
416.80399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01889	0.5
54.36167	0.2
56.01780	0.2
60.04517	0.2
65.03934	5.7
68.99794	0.4
69.09142	0.2
69.09544	1.3
70.06590	0.4
73.06404	0.3
91.05487	0.3
92.99780	0.2
93.03355	0.5
96.04501	0.2
98.22627	0.3
103.05457	0.6
104.01324	0.2
111.04428	4.5
115.05445	2.0
121.02859	100.0
121.03914	6.7
122.03183	2.5
130.05005	0.7
131.04889	1.4
143.04907	4.7
148.00278	0.8
155.04836	0.3
161.06018	0.5
166.01404	0.4
167.02173	0.4
168.02890	0.2
171.04419	2.0
178.01344	8.9
179.01715	0.3
182.30693	0.2
202.01392	0.4
204.02930	0.3
211.03917	0.6
218.00865	0.4
222.00294	1.7
222.48782	0.2
227.99326	0.4
229.04961	1.0
232.02405	0.2
239.03400	0.8
240.01408	0.6
242.00807	0.3
255.98772	0.2
257.04364	0.9
267.03055	0.4
270.00314	0.2
272.09100	0.4
273.09448	0.2
273.99875	0.4
282.04306	0.4
282.07513	4.1
285.03906	4.9
288.01419	0.4
292.00876	0.8
297.99826	4.8
298.03110	0.4
298.06723	0.2
300.04993	0.7
316.00876	2.4
317.01062	0.3
317.06537	0.4
317.59393	0.2
325.09024	0.2
326.06537	3.9
326.15677	0.2
334.01880	1.1
343.09622	0.3
371.09387	0.4
373.09131	0.4
384.12024	0.3
385.11087	0.3
402.09720	22.8
403.09653	1.5
403.14182	0.7
420.07141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
64.24239	0.9
69.59384	1.0
70.06598	4.7
70.29116	1.9
73.06424	2.2
81.03418	19.1
84.08145	1.9
91.05484	1.0
96.04491	1.4
100.07608	1.3
103.05470	2.2
112.08741	2.8
114.05523	3.9
121.02831	6.1
121.06525	7.5
131.04929	6.3
140.75383	0.9
147.04442	1.1
149.02338	6.1
162.29657	0.9
167.03392	22.0
175.03876	1.0
177.01788	16.8
190.94353	1.1
195.02884	99.0
196.03297	3.2
203.03386	1.2
205.01314	68.4
206.01657	2.4
207.02849	1.8
222.03949	5.9
223.02371	55.8
224.02716	2.4
233.00793	44.3
234.01161	1.8
237.03848	2.6
240.04993	2.5
241.08426	1.6
250.03462	100.0
251.03831	3.1
251.06516	1.3
255.04996	5.0
265.03424	33.9
266.03751	2.0
268.04520	4.6
269.08093	4.5
282.06024	13.5
297.07538	11.8
298.10239	1.3
325.07025	14.5
326.07373	1.2
342.09714	46.1
343.09998	3.9
353.06433	2.3
357.09665	4.2
370.09094	6.4
384.14700	2.9
385.09222	4.0
395.69693	1.2
402.16147	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	402.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01858	3.8
59.08976	1.3
63.02370	1.0
65.03932	7.4
67.05505	1.7
68.82048	1.0
68.99771	2.3
69.03414	2.0
69.19930	5.3
73.06395	2.0
77.03939	1.4
79.01852	2.9
81.03427	1.3
83.01352	5.4
91.05468	3.6
93.03397	8.1
95.04414	1.6
95.04967	17.1
96.04437	1.4
97.02885	11.8
103.05464	34.0
104.05785	1.8
105.03381	6.8
107.01317	51.9
108.01708	1.2
110.06031	1.6
111.04438	7.4
113.02361	4.1
115.05453	15.4
119.01326	1.7
121.02862	33.7
121.06499	15.2
123.00800	4.1
123.04427	2.9
124.03934	1.8
125.02337	6.0
125.05898	1.6
130.04980	2.6
130.83096	1.1
131.04916	100.0
132.05238	6.4
135.04384	1.4
136.03926	1.6
137.02347	6.6
138.05521	10.7
139.03893	18.3
140.03389	1.5
141.01840	5.2
143.04919	9.7
146.02376	1.1
147.00755	19.6
147.04404	2.0
148.03969	1.5
149.02332	16.7
151.00266	7.7
151.03891	1.2
153.05457	21.1
154.08662	2.7
155.03397	14.1
159.04382	2.0
161.05977	2.1
164.03413	8.2
165.01831	22.4
165.06970	2.0
166.04990	23.5
167.02142	3.3
167.03424	5.3
168.02815	3.7
169.01318	2.6
171.04404	2.9
175.00330	2.3
177.01759	1.4
178.01340	5.3
179.01686	4.4
179.03452	4.9
179.08557	2.6
181.04956	9.3
181.06429	1.6
182.04494	4.7
183.02916	9.5
183.04463	1.6
185.03165	1.4
187.03868	16.9
192.02914	5.0
193.01373	1.7
205.01286	1.6
205.06537	2.0
206.04500	1.2
207.02802	2.0
207.08037	2.1
209.04381	2.2
210.03937	13.7
211.03922	5.0
214.99771	5.2
221.00812	2.2
221.06000	5.1
223.07535	1.6
224.05502	8.7
225.03926	5.6
229.04907	3.1
230.99364	3.7
233.00787	5.3
233.05904	2.2
235.04546	1.1
235.07494	5.5
242.06589	2.6
242.99258	1.8
249.00259	1.5
249.05347	2.5
251.07083	1.6
253.03459	3.2
258.97437	1.1
261.05481	3.3
263.06982	6.5
265.04828	6.1
267.06616	2.0
272.08914	2.4
273.09521	1.3
279.06482	5.2
281.02707	1.1
281.08041	1.4
282.07611	4.2
283.08041	12.4
289.05023	1.7
291.06519	3.6
293.04404	5.5
298.98218	4.5
306.07849	1.6
307.06003	7.2
309.07550	1.5
311.05399	2.5
316.99295	3.7
325.09155	1.9
334.07062	1.6
335.05435	37.4
336.05704	3.6
342.09839	1.5
343.10049	9.8
347.05350	1.7
353.06421	8.6
385.10727	1.9
402.15262	4.0
403.04593	1.4
421.05576	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	402.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87836	0.4
67.50658	0.4
68.80697	0.3
69.43674	1.8
98.22694	0.6
103.05422	1.0
115.05445	5.8
127.05516	0.5
131.04904	2.7
134.69135	0.3
139.05467	0.3
140.04950	2.7
142.06522	8.8
145.06465	0.4
154.06511	7.5
155.04880	0.8
155.05971	0.6
170.05998	10.3
182.06001	5.1
196.03918	0.7
198.05490	33.6
199.05849	1.8
206.51581	0.3
210.05399	3.6
214.04956	4.1
234.03947	0.3
238.04941	10.3
256.06046	15.9
257.06412	0.8
266.04459	100.0
267.04761	4.4
284.05646	1.6
297.99850	0.8
298.07101	7.1
352.09872	0.4
370.10715	33.8
371.11108	2.8
373.09131	1.2
402.13318	17.9
403.13721	3.2
420.90695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60418	0.8
53.03930	1.6
55.43165	0.7
57.72748	0.8
59.05011	0.9
69.03422	5.7
69.68681	1.7
69.69074	1.1
71.04992	1.3
78.03447	1.5
79.05498	1.0
81.03426	5.0
85.02891	6.0
87.00824	2.6
87.04478	2.1
91.05490	1.3
95.04967	1.3
96.04490	100.0
97.02889	11.6
97.04830	1.5
99.04462	2.2
103.05473	2.4
105.01872	1.2
107.01304	1.7
107.04967	2.7
108.04483	0.9
109.02866	2.0
109.06525	0.8
117.51109	0.7
121.06524	1.0
125.02365	0.9
127.03925	6.0
128.06255	0.8
130.52338	0.7
131.04922	7.2
136.07574	1.6
145.04997	2.0
147.04358	1.2
154.08624	42.6
155.09053	0.8
157.06010	0.7
159.08078	1.3
167.07007	4.6
168.07391	2.2
175.97061	0.8
182.04529	0.7
187.03874	1.0
193.01376	2.4
205.08487	0.9
211.02344	1.8
216.97627	0.9
217.08562	1.3
218.08984	1.4
219.07913	0.9
220.08473	1.4
221.00865	1.2
231.05048	3.0
232.08522	1.0
234.98848	1.1
248.07854	1.8
248.10124	1.2
249.00368	1.3
249.08691	1.6
265.08337	1.1
280.10590	1.1
292.10623	0.9
294.08276	1.3
306.08569	0.9
307.05966	0.9
308.09885	1.5
316.09033	1.7
324.13174	1.3
331.11612	2.1
336.09787	0.8
338.10818	1.1
340.12534	1.6
352.12643	2.4
354.10406	1.3
367.04352	1.1
369.13016	1.5
384.15164	9.0
402.16019	0.8
418.56631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
51.02380	0.5
53.03947	1.0
55.01872	0.8
55.05508	0.2
57.03431	0.7
59.04981	0.2
61.02934	0.5
68.99801	0.5
69.03424	3.5
69.41133	0.7
71.04971	0.4
73.02910	0.8
78.03448	1.3
79.05481	0.2
81.03414	4.5
81.03895	0.2
81.07040	0.2
81.91080	0.2
85.02898	5.4
87.00827	2.5
87.04446	0.5
91.05485	0.3
95.04951	0.3
95.08614	0.4
96.04489	100.0
97.02887	1.7
97.04816	1.8
99.04465	1.5
101.06076	0.2
102.03328	0.2
105.01857	1.2
105.06995	0.4
107.04980	0.3
109.02877	3.5
109.06541	0.3
111.50567	0.2
113.53124	0.2
117.01834	0.4
119.04937	0.4
119.84383	0.2
121.02870	0.4
121.06486	0.2
123.08059	1.1
127.03033	0.3
127.03910	4.2
129.01828	0.6
133.06476	0.2
136.07584	0.8
145.04951	1.5
147.03186	0.3
147.04382	1.6
151.07530	0.5
154.08620	31.0
155.08932	0.5
159.02892	1.3
165.01807	0.2
169.42679	0.2
177.05580	0.2
201.75249	0.2
213.03912	0.3
218.05759	0.3
219.06586	0.3
219.66348	0.2
231.05057	1.1
237.07614	0.3
241.22746	0.2
247.06001	1.6
265.07080	1.6
283.08228	0.3
292.09149	0.2
316.14008	0.2
367.11652	1.0
402.13824	2.7
403.14011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03933	1.2
54.28028	0.4
55.01858	0.8
57.03432	1.0
59.04985	0.5
68.99783	0.6
69.03433	3.8
69.75302	0.8
69.75688	0.8
70.06594	0.8
71.00887	0.4
71.04989	0.5
73.02911	0.7
77.26504	0.4
78.03443	1.6
81.03415	4.3
85.02905	5.8
87.00819	3.3
89.52566	0.4
90.94810	0.4
91.03944	0.4
96.04488	100.0
97.02876	2.2
97.04819	1.2
99.04448	1.5
100.07631	0.6
101.06046	0.5
103.05447	0.4
105.01868	1.5
105.57359	0.4
107.04951	0.4
109.02888	3.4
113.21046	0.4
117.01804	0.4
121.46492	0.4
127.03918	4.3
131.04930	1.6
136.07582	1.8
145.04945	1.3
147.04317	0.5
154.05020	0.7
154.08620	30.6
155.08958	1.0
159.02890	1.7
185.05710	0.4
195.02995	0.5
198.05792	0.4
219.46971	0.4
231.04927	1.1
257.97037	0.3
345.71463	0.4
384.15326	0.8
402.14078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.7
55.01862	14.2
56.96556	9.9
69.03412	22.6
70.06590	38.2
71.04977	7.4
72.08149	6.9
73.02901	5.8
81.03401	31.9
84.08137	17.1
85.02899	18.0
86.09698	57.6
97.02886	71.9
97.99220	4.6
98.97613	4.5
99.04437	36.3
109.02872	52.5
112.08746	9.1
115.03918	5.2
116.98664	5.9
127.03915	81.2
129.10207	8.7
131.01888	13.3
139.03877	17.3
145.04857	12.3
158.01060	4.2
158.02972	15.3
158.99663	14.1
168.03708	5.5
172.08150	9.1
175.11848	9.2
176.04041	17.9
177.00749	16.5
187.06023	35.7
189.04695	22.1
198.09715	14.8
205.07050	78.5
207.05739	18.2
208.10165	6.3
216.10770	4.4
226.09279	12.3
243.05766	38.6
244.05901	7.4
244.10231	40.0
254.08723	6.4
265.08716	5.5
271.05353	41.8
272.00549	7.9
272.05426	8.7
272.09796	86.3
273.09866	6.6
289.06345	100.0
290.01324	11.7
290.06284	20.4
290.10870	80.2
291.06531	10.2
302.12985	7.7
309.07809	10.6
377.20706	4.9
402.24252	27.4
403.17654	12.6
420.15359	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	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	7.2
67.05531	11.3
70.06602	9.6
77.24829	7.3
81.07059	10.8
82.33776	6.1
84.08171	6.4
86.09702	6.8
91.05477	19.9
93.07105	8.6
95.04962	14.7
98.23537	11.7
102.14861	6.4
103.05466	9.4
105.07030	11.1
107.04980	8.8
111.04449	7.7
117.06995	6.4
119.04136	6.7
119.04932	31.2
121.02875	85.3
122.03219	37.3
123.04485	8.3
123.08108	14.8
125.05994	7.9
133.06497	7.6
135.04402	9.6
135.30226	7.2
137.05959	6.5
147.04401	76.5
154.08626	33.2
163.03903	9.8
180.56158	7.9
189.05423	11.7
240.08321	6.6
247.06146	19.5
256.06714	10.3
256.11752	11.2
259.23715	7.4
265.07135	20.0
267.10229	10.2
268.10550	18.1
278.09189	8.2
282.66898	7.3
287.04962	6.8
294.12021	21.9
296.10077	8.9
310.11536	8.1
340.12607	14.3
356.12128	21.6
367.11984	12.6
384.11182	39.9
402.12064	100.0
405.84949	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48534	4.6
55.05507	15.6
57.83997	3.9
67.05517	11.3
69.07066	16.7
71.42992	5.2
79.05494	14.5
81.07056	9.2
91.05483	6.4
93.07047	7.0
95.04959	5.9
95.08598	5.3
97.06560	12.2
97.10169	14.3
104.65202	4.2
105.07003	6.6
107.08572	26.6
121.02879	7.5
125.09633	17.0
145.10063	9.1
149.09641	7.1
152.93663	4.5
159.11719	5.1
169.01256	8.7
173.13116	4.0
189.11287	6.8
194.39323	4.3
208.53348	5.0
227.12772	16.3
245.13782	8.3
257.04364	7.8
258.04788	11.3
261.10721	4.3
264.08917	5.1
266.10614	4.6
275.20078	18.3
285.03952	5.0
286.04398	8.4
287.05322	22.4
288.05798	38.3
349.23727	19.9
362.16370	6.0
380.17502	15.3
384.11545	64.6
385.11893	6.5
402.12540	100.0
402.17328	8.4
403.12970	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	402.394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	9.2
58.06573	0.6
62.11425	0.6
69.17018	1.8
69.17440	2.1
70.06586	20.8
71.08624	4.3
78.21765	0.7
78.30109	0.6
84.08124	1.3
85.10188	1.3
86.09672	0.8
88.07623	20.7
89.07970	0.6
102.09195	1.4
103.05486	1.3
104.10715	0.8
106.08665	2.6
114.09155	6.5
122.01643	0.5
130.04988	1.5
130.08575	0.6
131.04941	2.5
132.10190	22.0
136.37151	0.6
150.11240	19.7
152.74086	0.7
168.02863	0.9
183.02879	1.9
218.00830	0.7
273.09424	1.2
292.00952	1.1
297.99728	3.8
316.00842	2.3
326.34222	1.7
327.08582	1.2
334.01913	1.7
340.35797	1.1
355.08301	1.0
358.36710	5.9
359.36984	0.8
373.09125	8.9
385.10980	1.1
388.11520	0.9
402.39374	100.0
403.13782	8.2
403.39673	8.7
420.06967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
56.05001	0.4
57.07076	7.9
58.06606	1.9
68.04996	0.4
69.07047	0.4
69.26211	1.2
69.26614	0.6
70.06589	18.5
71.08629	3.4
72.08117	0.8
73.28284	0.3
79.05486	0.3
83.08558	0.3
86.09650	0.9
88.07628	25.8
89.07957	0.3
102.09172	15.4
119.08457	0.3
127.49789	0.3
132.10162	1.2
136.73026	0.3
146.11737	0.6
150.11235	0.9
176.10820	0.4
183.02895	0.5
221.87312	0.3
296.33105	0.9
322.34866	0.4
340.35718	39.8
341.36121	2.8
373.09100	2.9
384.38333	2.8
385.38806	0.3
388.11539	0.4
402.39395	100.0
403.13989	2.5
403.39737	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	403.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19103	0.6
62.48625	0.7
70.21957	1.2
76.39719	0.6
85.84017	0.6
90.74525	0.7
98.97562	2.3
103.00561	0.6
114.90733	0.7
116.98626	1.8
119.01938	1.6
134.99643	0.8
163.88184	0.7
165.17284	0.9
177.00922	3.8
216.98940	1.5
219.02011	4.5
220.02161	1.4
222.97702	1.1
235.00024	5.3
240.98900	4.6
252.25708	0.8
253.00935	0.7
256.96695	3.9
258.96246	1.3
258.99991	22.9
260.00128	1.2
260.99811	4.5
261.03046	12.8
262.03210	2.0
262.99811	0.7
263.02863	1.2
264.99109	2.8
269.17548	0.7
272.94568	0.8
274.97748	1.7
277.01047	20.3
278.01154	1.1
279.00638	3.7
282.99982	71.0
284.00018	1.6
284.99814	2.3
286.99582	1.3
299.98315	0.8
301.01038	100.0
302.01160	2.7
303.00925	3.8
319.02078	4.9
344.94391	3.9
354.93713	2.6
355.93582	1.1
356.96704	3.9
358.96637	4.8
359.96588	1.3
360.99927	0.8
362.95840	2.2
364.00900	0.8
379.94296	0.9
380.96741	29.1
385.03763	0.8
396.94748	2.7
397.90463	1.2
397.95010	2.0
398.97800	88.7
400.95221	3.5
403.01105	4.4
404.01364	1.5
415.95554	0.9
420.95270	0.8
421.99643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.8
57.03452	1.8
59.56178	2.2
61.02888	2.8
67.05480	3.1
68.99780	3.3
69.03443	4.7
69.15197	1.9
70.06595	5.9
72.08141	6.9
74.06047	3.4
79.05492	7.4
81.03410	3.2
81.07059	3.8
84.08146	4.8
84.29844	1.9
85.02903	6.2
85.20394	2.0
86.09705	48.6
87.00816	2.7
87.04465	2.8
89.06023	5.4
91.05460	17.7
91.59614	2.0
93.07037	4.7
95.04967	10.6
95.08590	11.4
97.02891	6.9
103.03939	9.1
103.05482	2.4
105.07027	9.9
107.04978	13.2
109.02915	1.9
109.06504	9.3
116.18719	1.8
116.90443	1.9
116.98592	2.0
117.06979	3.1
119.04938	29.0
119.39704	2.0
121.02854	7.4
121.06525	6.6
123.04401	4.9
123.08070	37.7
125.05973	10.9
127.03886	4.5
129.10164	2.6
133.06447	10.1
135.04419	6.6
137.06023	3.4
143.11702	3.4
145.04906	3.1
145.06493	5.3
147.04395	100.0
148.04710	3.0
149.05991	5.6
151.03934	2.8
151.07532	11.5
153.05460	3.4
155.03389	4.1
157.13329	2.2
161.06081	2.2
163.00406	2.5
165.01862	3.0
167.03381	3.4
169.08627	6.1
171.04443	2.4
173.05991	2.4
173.12764	2.4
175.03899	9.2
175.33153	2.0
177.05487	6.2
179.06993	6.7
187.14386	4.3
189.05482	11.6
189.12483	2.5
191.07028	3.4
192.04137	4.3
193.05031	3.4
195.02806	2.7
197.08060	4.8
201.05472	5.0
205.04991	5.0
207.06497	29.9
218.05704	3.1
219.06526	10.9
221.04486	4.0
223.05989	4.9
225.07559	7.4
228.75258	2.8
237.07498	14.3
239.05544	8.3
247.05992	51.1
265.07031	64.2
273.07559	3.1
281.18802	2.1
283.08133	5.8
297.07870	2.8
301.09180	4.8
323.09186	4.2
349.10495	4.1
359.11020	4.4
367.11691	29.1
368.11914	2.8
385.12872	6.7
403.09637	44.4
403.14517	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	403.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97258	0.6
65.03963	1.1
69.46026	3.4
79.06964	0.6
98.22648	0.9
103.05444	2.5
105.07026	2.1
111.04391	0.9
115.05451	43.3
116.05734	1.0
121.02868	21.1
121.03837	1.0
121.04002	1.2
122.02401	1.2
122.03210	10.1
122.04093	1.3
131.04927	5.1
139.05348	0.7
142.04138	1.4
143.04916	81.0
144.05232	2.9
153.68802	0.9
155.04884	5.8
161.05957	10.8
169.02776	0.8
171.04416	42.9
172.04724	1.7
178.01352	1.2
179.01686	0.8
183.02852	2.0
183.04422	3.9
184.05110	1.0
198.75482	0.7
199.03931	2.8
202.01405	0.7
211.03902	14.2
212.04628	1.2
217.05142	0.7
229.04968	19.1
230.05269	0.9
239.03391	16.7
240.03897	1.2
257.04434	16.8
258.05072	2.9
267.02887	12.8
269.09695	1.0
285.03925	100.0
286.04333	6.3
297.99860	1.7
299.00146	3.4
300.04910	1.0
301.07083	1.0
315.04794	0.8
315.10089	1.1
315.80722	0.7
317.01144	1.2
317.06537	8.3
326.06604	0.9
327.08514	1.4
343.09460	2.8
371.09271	5.1
372.09671	1.7
373.09177	10.7
388.11737	2.0
403.09854	4.7
403.13834	8.6
421.07336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
65.03929	2.0
67.05512	2.5
70.06604	0.6
76.31808	0.5
81.03400	0.9
81.61704	0.5
85.02894	1.5
93.03387	0.6
95.01299	0.6
95.04930	2.5
97.02890	2.3
103.03929	0.5
105.01864	0.7
108.02081	2.8
109.02864	1.3
111.04433	1.7
121.06515	0.8
127.03927	1.8
127.56411	0.5
129.01826	1.0
141.05484	2.7
145.05002	0.5
151.03900	100.0
151.04999	9.5
152.04254	3.0
168.51610	0.5
169.04984	0.7
178.25690	0.5
187.03918	1.0
212.70758	0.5
222.31738	0.6
242.11624	1.0
318.38235	0.5
385.11304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
56.35500	1.0
56.94969	1.0
65.03940	2.5
67.05503	4.4
68.64880	1.0
68.99789	4.5
69.03419	1.7
69.71696	4.0
76.52760	1.1
77.29726	0.9
79.05499	8.3
81.07055	5.3
91.05473	14.9
93.03423	1.2
93.07030	3.5
95.01424	1.4
95.04978	10.3
95.08592	14.0
97.02886	2.9
103.05492	1.8
104.02853	1.0
105.03387	1.3
105.07019	12.7
107.04948	17.8
108.05672	1.3
109.02879	2.3
109.06528	9.1
115.05463	1.9
117.07020	2.4
119.04935	25.2
119.05743	2.1
121.02857	15.1
121.06497	8.3
122.03190	2.9
123.04420	4.0
123.08063	50.1
125.05995	11.4
127.03873	1.8
129.07033	1.4
131.04944	2.2
133.06474	11.0
135.04396	10.5
135.08055	1.3
137.05962	3.0
139.03949	1.4
141.05489	1.8
145.06444	4.4
147.04402	100.0
148.04724	2.4
149.05966	5.3
151.03987	2.3
151.07513	17.9
153.05424	7.1
155.07104	1.3
159.04454	1.8
161.05943	3.9
163.04001	1.5
163.07509	2.5
165.01839	6.1
165.05573	1.2
166.85365	1.2
167.03415	3.7
169.05098	1.8
169.08583	4.4
173.05992	3.4
175.03888	1.4
175.07521	3.3
177.01917	1.7
177.05450	7.8
177.73041	1.1
179.07014	7.6
183.02907	1.7
189.05466	16.0
190.02576	2.2
191.03378	2.8
191.07018	6.8
193.04976	5.1
193.08624	1.5
195.06554	2.8
197.08080	4.0
201.05469	7.5
203.03403	3.1
203.07082	2.1
205.04903	6.5
211.06061	1.2
216.14378	1.0
218.05699	6.7
219.06497	18.2
221.04465	5.6
221.08078	1.6
223.06018	8.5
224.06015	1.0
224.59453	1.1
229.04930	3.9
237.07555	18.1
238.67450	1.1
239.05516	13.1
243.06528	1.5
247.06006	76.1
248.06319	2.5
265.07059	77.5
266.07419	3.6
269.11368	1.3
273.07547	3.7
279.10144	1.8
283.08115	13.3
295.09613	2.1
297.07352	2.9
301.09180	4.9
311.12906	1.1
321.10782	1.5
323.09216	5.3
325.10580	5.0
339.12341	3.7
341.09958	5.2
349.10510	3.5
359.13879	3.9
367.11740	43.3
368.11951	3.3
385.12753	7.6
403.13318	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	403.139
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
53.03953	0.7
55.01856	0.5
55.05515	0.3
56.05040	0.4
57.03425	0.3
61.01159	0.3
64.03551	0.3
65.03951	0.4
67.05511	0.3
68.99783	3.2
69.03421	1.0
69.57162	0.5
69.57552	0.5
71.08630	1.0
74.80840	0.3
79.05485	0.5
79.74429	0.3
81.03420	3.7
85.02890	0.8
86.09706	2.5
87.00842	0.3
87.10047	0.6
88.04015	0.4
88.68243	0.3
91.05490	0.9
93.07047	0.3
95.04967	2.7
95.08591	0.5
98.06068	0.4
99.04462	0.8
99.08106	1.0
104.05322	1.3
105.03397	1.7
105.07067	0.4
107.04959	0.8
108.63435	0.3
109.02847	1.8
109.06499	0.5
111.04447	0.9
114.15160	0.2
119.04959	0.5
121.02866	4.8
123.08090	0.7
127.03918	3.5
129.07005	0.7
131.07030	0.5
135.04424	0.6
137.02348	100.0
137.03429	7.2
137.05849	1.9
138.02684	2.7
146.06323	0.6
147.04398	1.3
147.06747	0.3
147.08052	0.4
151.07518	0.3
161.92474	0.3
163.03825	0.6
169.35101	0.2
173.05956	0.5
174.05872	0.6
175.07564	0.4
179.03432	4.0
183.06596	0.7
189.05438	0.4
193.04918	0.4
219.06778	0.3
221.04517	0.5
233.53902	0.3
247.05984	1.5
255.06456	1.5
257.08142	0.8
265.07101	1.4
271.05978	6.1
273.07544	5.5
283.09711	1.2
285.07565	2.8
297.11313	0.4
307.09402	0.3
317.10059	0.4
325.10620	0.6
343.11771	8.8
344.12003	0.6
353.10101	1.0
357.13232	1.4
367.11816	0.6
385.12457	2.1
403.13791	6.8
404.13730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01870	4.5
57.03426	1.7
57.05305	0.5
61.02920	0.8
65.03927	2.9
65.53892	0.7
67.05520	1.0
68.99778	2.6
69.03404	0.9
71.40527	0.7
71.56180	0.6
73.02909	1.0
77.03931	0.6
79.05492	2.1
81.03406	2.4
84.08163	3.2
85.02899	5.7
85.08463	1.1
91.05476	100.0
92.05807	2.1
95.04959	2.0
95.47706	0.5
97.02901	1.8
100.31440	0.6
103.03924	0.5
103.05462	3.2
104.05762	0.6
105.03396	1.7
105.07025	97.4
106.07361	2.1
107.04940	1.7
109.02888	4.6
115.05456	6.5
117.07018	1.2
119.04996	0.9
121.02856	2.2
121.06539	0.8
122.02411	0.7
123.04417	3.6
125.02374	0.8
127.03883	1.2
128.06169	0.9
129.06972	2.8
131.04916	6.7
132.05254	2.1
133.06490	14.1
135.04443	1.1
137.06000	1.2
139.03889	16.2
141.06967	0.8
143.08543	1.6
147.04422	2.5
149.02371	1.0
151.03903	5.8
153.01813	1.0
154.04953	2.0
154.08707	0.7
155.08624	0.9
157.06483	7.2
157.77130	0.6
159.04561	0.8
161.06039	0.6
162.39439	0.6
163.03893	3.1
165.01872	0.9
165.05464	2.6
167.07127	0.7
167.08498	0.6
173.05986	0.9
175.03928	3.0
177.01819	1.0
177.05441	1.2
179.03340	0.9
179.08539	1.3
180.36678	0.5
181.04941	0.9
181.06425	1.1
183.08119	0.7
185.05896	0.5
187.03908	1.2
189.05389	1.7
191.03459	1.8
191.08560	0.7
193.04950	7.2
199.07542	0.8
201.05476	1.8
203.03392	1.4
205.04935	7.4
207.07991	1.5
209.09706	1.3
213.05533	0.7
215.08548	0.7
217.04961	3.7
219.08197	0.8
221.04338	0.9
223.07722	0.9
233.09566	1.3
234.05235	1.2
235.05801	4.0
237.09151	1.2
241.04948	0.7
245.04495	0.9
247.07608	0.7
251.07004	0.8
251.10692	0.7
253.08609	8.6
254.09027	0.8
259.09619	6.2
261.09039	1.7
263.06879	1.9
265.08673	1.2
267.06451	1.1
271.09641	24.8
272.09879	0.8
277.08618	3.3
279.07376	0.8
279.10117	4.0
281.07578	1.0
282.06039	1.4
283.09622	12.3
284.10019	1.2
290.09387	0.9
291.10110	0.7
295.09650	2.2
297.11230	2.2
300.07059	0.8
303.10178	1.0
307.09628	2.9
319.09668	7.7
320.09979	1.0
321.11148	1.1
323.09219	0.7
325.10681	44.0
326.11136	3.1
330.08704	0.8
331.09650	5.6
337.10654	31.4
338.11044	2.7
339.12408	0.7
349.10696	18.6
350.11136	0.9
355.11771	1.8
367.11981	12.4
385.12723	5.3
386.12537	1.4
403.15134	2.3
404.13989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1385
Annotation	Brevipolide C
Peak:m/z	Relative Intensity
53.03938	0.8
55.01860	0.5
55.84010	0.2
65.03933	0.2
68.99784	2.4
70.67714	0.3
75.06197	0.2
81.03409	3.0
86.75380	0.2
91.05481	0.5
93.03397	0.2
93.06993	0.2
95.04972	0.9
105.03385	0.7
105.07022	0.2
106.43031	0.2
107.01320	0.6
107.65495	0.2
109.02856	1.2
111.04453	0.3
115.05450	0.2
117.07023	0.7
119.08575	0.9
121.02834	2.3
121.03526	0.2
127.03889	2.0
129.06993	0.3
131.04939	0.8
133.06480	0.5
133.10107	0.4
135.04454	0.3
137.02338	100.0
137.03429	8.8
138.02676	2.1
138.03723	0.4
145.06483	0.5
147.04401	0.5
149.06033	0.2
163.03830	0.3
163.07550	0.4
173.05911	0.4
175.07600	0.5
179.03354	1.2
179.53519	0.2
184.80611	0.2
187.07443	0.3
189.09184	0.3
191.06961	1.2
201.05467	0.4
217.08586	0.3
235.09576	0.9
241.08636	0.4
255.06555	0.7
257.08066	0.6
261.07571	0.4
268.07315	0.6
271.05991	1.3
273.07520	1.5
283.09634	6.9
284.10107	0.4
285.07492	1.5
289.05945	0.2
324.44119	0.2
325.10815	0.5
343.07532	0.4
343.11716	6.4
344.12000	0.3
353.10101	0.7
371.11221	16.6
372.11508	1.2
385.12497	0.3
403.13776	4.9
404.14063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.1
57.03423	1.6
61.68712	1.2
65.03940	2.1
67.05488	3.9
68.99785	3.6
69.03419	1.5
69.96724	3.1
73.34711	1.2
79.05492	7.7
81.03438	1.4
81.07045	5.7
83.05001	1.4
91.05482	16.2
93.03356	1.4
93.07043	4.6
95.04961	10.7
95.08596	15.0
97.02892	4.0
97.06528	2.0
98.23406	1.9
105.03386	2.2
105.07026	12.2
107.04947	16.4
107.08530	1.4
108.05740	2.0
109.02872	1.6
109.06512	11.5
115.05469	2.8
117.07005	3.8
119.04932	26.5
119.08549	1.5
121.02872	14.6
121.06476	8.2
122.03131	1.4
123.00801	1.5
123.04431	3.7
123.08065	48.4
124.08385	1.6
125.05986	12.7
128.58141	1.3
133.06476	12.7
135.04411	10.6
135.08020	2.7
137.05960	2.6
141.05463	2.0
145.06467	3.1
145.09453	1.3
147.04398	100.0
148.04701	2.3
149.02299	1.9
149.05978	4.9
151.03871	1.4
151.07541	16.9
153.05478	5.3
155.07001	1.9
161.05998	3.2
163.07509	2.5
165.01830	5.7
167.03391	2.1
167.06917	1.3
169.04903	1.8
169.08594	5.7
171.04494	2.0
173.05995	4.7
175.03748	1.4
175.07573	4.2
177.05472	7.8
177.06772	1.4
179.07077	9.0
183.02876	1.4
189.05437	14.7
190.02611	2.7
191.03383	4.2
191.06998	7.1
193.04945	4.6
197.08086	4.7
201.05495	5.7
203.03281	3.2
203.06967	1.7
205.04953	6.7
209.04333	1.5
218.05695	8.3
219.06505	15.3
221.04500	7.1
223.05988	5.6
229.05017	4.4
236.06741	1.2
237.07597	18.8
237.09828	2.4
238.08235	1.2
239.05432	11.0
247.05997	82.6
248.06461	4.5
251.07138	2.4
265.07053	69.8
266.07394	3.2
273.07382	3.3
279.06900	1.5
283.08066	13.0
295.09552	2.1
297.07892	1.3
301.09158	5.2
323.09137	3.5
323.12701	1.4
325.10626	3.5
339.12140	2.7
341.09894	2.7
349.10754	2.8
359.13824	2.0
367.11749	42.9
368.11969	3.1
385.12482	7.6
403.07840	1.1
403.13458	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	403.1388
Annotation	Piscerythrone hydrate
Peak:m/z	Relative Intensity
55.01870	1.2
61.02946	1.6
65.03951	2.0
67.01865	16.3
68.99781	3.4
69.03417	1.2
69.09755	8.1
71.04994	3.0
79.05508	2.9
81.03440	1.1
81.07077	1.2
85.02901	1.1
91.05490	5.9
93.07039	1.3
95.04987	2.3
95.08607	1.5
97.06544	1.3
103.05498	2.2
105.03388	2.0
105.07052	3.6
107.04957	2.5
107.08592	1.2
109.06535	1.6
111.00818	2.9
111.04466	1.6
115.05445	1.9
117.07012	3.0
119.04980	3.8
121.02884	4.3
121.06491	3.2
123.08112	1.6
127.01560	1.2
129.01868	1.6
131.04993	1.9
133.06519	2.0
135.04424	9.3
137.02345	32.0
137.03342	1.5
139.03915	1.4
145.06534	1.7
147.04416	14.3
147.07968	1.6
149.02330	1.7
149.06079	1.1
153.05489	1.4
159.04393	1.3
161.02328	7.7
163.03918	1.7
165.05443	1.1
167.03401	2.8
168.02846	1.1
173.06018	3.7
175.03952	2.9
175.07570	1.7
177.05498	1.6
179.03389	7.6
181.05013	2.5
189.05548	2.6
191.07047	4.4
193.04950	1.7
199.03967	1.3
199.07611	2.0
201.05524	5.6
203.03471	2.9
209.08040	1.3
217.08650	5.3
218.05800	1.4
219.06528	6.7
245.04465	23.2
255.06529	56.3
256.06888	3.7
257.04477	2.4
263.05322	8.3
265.07129	2.5
268.07150	1.8
271.06067	3.4
279.06567	1.6
281.08081	2.0
283.05945	11.1
283.08926	1.6
284.06589	2.2
285.07523	2.2
287.09174	3.9
292.07355	9.2
295.09698	1.6
297.07837	2.0
297.11136	12.2
299.08960	2.3
304.48160	1.1
307.06262	2.1
307.09610	20.2
307.12845	1.7
309.07617	2.3
320.06662	1.7
325.07153	2.1
325.10638	14.7
335.08997	8.0
343.11768	37.2
344.12070	1.9
353.10211	17.6
357.13358	9.5
367.11725	4.3
371.11292	21.7
385.12790	100.0
386.13104	7.9
403.13547	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	403.1386
Annotation	Piscerythrone hydrate
Peak:m/z	Relative Intensity
51.08707	0.9
55.01862	1.8
58.41438	0.9
59.02462	1.1
63.56420	1.1
67.01863	13.8
68.99776	5.1
69.03407	1.7
71.04986	2.0
71.43230	1.7
79.05486	1.1
81.07061	1.1
83.01363	1.2
83.05006	1.1
84.73450	1.0
91.05481	4.5
95.04973	3.1
100.75951	1.2
105.03400	2.8
105.07034	3.7
106.59436	1.0
107.04935	2.1
111.00780	2.2
111.04464	1.9
115.05492	1.2
115.28032	1.2
117.07038	1.9
119.04936	5.2
121.02887	3.8
121.06496	2.6
123.04447	1.9
123.08090	1.9
131.04916	2.1
133.06512	1.6
135.04395	6.6
137.02339	31.5
137.03304	1.3
145.06429	2.0
146.83739	1.3
147.04396	19.2
149.02237	1.4
149.05978	2.1
151.07532	1.1
156.86473	1.1
159.04385	1.7
161.02327	6.2
171.04350	1.8
173.05965	1.2
175.03900	1.7
175.07564	1.6
177.05475	2.0
179.03386	6.3
181.04973	1.3
181.06427	1.9
189.05455	3.4
191.07001	2.3
193.05002	1.3
193.08562	1.9
199.07512	1.5
201.05498	3.7
203.03462	2.4
209.08157	1.2
217.08633	6.6
219.06488	6.3
221.04436	2.4
227.03357	1.3
245.04449	22.9
249.09705	1.2
255.06516	45.9
256.06882	3.0
257.04462	1.9
263.05368	8.5
268.07327	2.1
271.06012	2.1
273.04053	1.4
279.10077	1.5
281.08221	1.6
283.05911	9.2
283.08890	1.5
287.09235	3.1
292.07297	8.5
293.07996	1.2
295.09610	2.0
297.08096	1.7
297.11188	8.9
298.11026	1.3
307.09598	19.3
311.09027	1.4
319.49484	1.0
325.10663	15.1
327.08560	2.0
335.09076	8.5
341.13782	1.9
343.11777	19.7
344.12039	1.8
353.10168	17.4
357.13300	6.8
367.11810	3.4
371.11209	9.5
385.12708	100.0
386.13129	5.5
403.17523	22.6
404.17661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.05500	1.6
57.03418	1.2
64.29726	1.0
67.05518	5.3
68.99788	5.1
69.03427	2.1
69.88850	2.3
69.89209	2.2
79.01659	1.2
79.05490	9.5
79.65740	1.0
81.03410	1.6
81.07059	5.0
83.64400	1.1
91.05477	12.6
93.07034	4.4
95.04966	11.0
95.08602	18.8
97.02882	2.3
97.06539	2.2
103.05466	1.6
105.03385	1.2
105.07019	13.5
107.04945	17.0
107.08619	1.4
108.05730	2.3
109.02882	1.7
109.06509	11.6
115.00534	1.0
115.05392	1.7
117.07035	2.6
119.04945	23.2
119.08511	1.7
121.02850	9.8
121.06516	9.0
122.03176	2.1
123.00755	1.3
123.04419	3.3
123.08060	60.5
125.05999	9.3
131.04869	1.4
133.06493	13.5
135.04410	10.7
135.08022	1.9
137.05977	2.8
139.03888	1.7
141.05437	1.6
145.06476	1.8
145.81456	1.1
147.04399	81.0
148.04739	1.9
149.02344	1.3
149.05994	4.4
151.03909	1.4
151.07526	21.4
153.05466	4.7
155.07062	1.7
159.04428	1.1
161.06024	5.1
163.07561	2.8
165.01923	3.3
169.04976	2.2
169.08574	3.7
173.05983	3.1
175.03969	1.6
175.07497	1.4
177.01720	1.5
177.05469	5.5
177.56474	1.1
179.07036	9.0
189.05467	9.3
190.02589	2.8
191.03395	2.6
191.06984	5.2
193.04956	4.3
195.02831	1.7
195.06441	3.3
197.08022	6.2
201.05435	5.9
203.03394	3.5
203.56281	1.2
205.04971	4.9
218.05745	8.4
219.06490	18.2
221.04451	4.7
221.08008	1.7
223.05991	6.8
229.04913	3.6
236.06979	1.3
237.07555	18.1
239.05336	5.6
247.06004	100.0
248.06389	3.7
265.07059	73.5
266.07465	3.0
273.07617	5.4
283.08072	10.3
295.09839	1.2
301.09122	3.5
323.09073	2.7
323.12598	1.4
325.10593	4.6
339.12195	3.0
341.10025	3.8
341.13724	1.3
349.10681	1.9
364.49048	1.2
367.11749	46.3
368.11874	3.4
385.12741	5.2
403.13531	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	403.1389
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
53.03938	1.8
54.22977	1.6
55.01872	3.3
65.03941	2.4
67.01859	1.5
67.05522	1.9
68.99782	8.0
69.03426	3.6
69.07055	2.6
69.09871	4.6
69.10281	5.7
70.06573	1.6
78.78970	1.4
79.05489	6.2
81.03423	4.6
81.07041	5.1
85.02914	1.7
86.09674	2.3
87.04462	4.7
91.05468	12.0
92.12057	1.8
93.07041	2.5
95.04957	7.4
95.08558	3.0
97.06534	4.2
98.22686	2.5
103.05472	3.8
105.03383	11.3
105.07019	5.1
107.04952	4.2
107.08613	2.4
109.06511	4.2
111.04443	2.7
117.07013	4.5
119.04934	6.4
119.08593	3.3
121.02864	16.0
121.06506	5.4
122.03650	1.8
123.04430	2.2
123.08038	3.2
125.05972	2.7
127.03931	3.1
129.01871	1.6
131.04913	13.0
131.08548	1.7
132.05699	6.6
133.02855	6.6
133.06514	2.7
135.04453	7.9
135.08034	1.6
135.11736	1.6
137.02336	77.5
137.03464	5.4
137.05962	14.0
139.03935	2.0
145.06445	3.6
147.04437	22.8
148.04764	2.1
149.05971	8.9
151.03825	1.8
151.07553	4.6
153.05435	2.7
160.05128	3.0
161.00983	1.5
161.02277	7.1
161.05960	8.0
163.03929	6.7
163.07585	4.2
165.01862	1.7
165.05473	20.1
167.07040	6.7
173.05963	2.2
177.05479	12.9
179.03346	8.2
179.07028	2.1
180.07841	2.7
181.06451	2.4
183.06474	3.1
185.00427	1.8
187.03941	1.9
191.07053	6.7
192.07790	19.7
193.04973	8.8
193.08578	6.8
195.06528	2.1
205.08484	2.3
209.08064	1.5
210.08846	2.2
219.06561	4.8
231.06453	1.6
251.09137	3.2
253.05074	1.8
255.06517	49.9
256.07156	4.3
257.04266	2.0
265.07077	2.8
268.07257	2.3
269.08026	4.7
270.05203	9.6
271.05975	100.0
272.06360	5.3
279.10059	2.3
281.08170	2.5
281.11481	2.2
283.06418	2.0
283.09628	9.7
284.06763	3.5
285.07257	2.2
293.07684	2.5
295.06216	3.3
295.09726	5.6
296.10208	2.9
297.07666	2.5
297.11130	7.9
299.05579	5.1
299.09070	36.6
300.09445	2.5
307.09625	3.0
311.09299	3.2
319.74768	1.6
325.10709	17.2
327.04626	3.1
327.08591	63.1
328.09018	4.6
329.10159	3.3
335.08896	1.9
341.13882	2.7
343.11868	2.8
353.10135	17.6
354.10703	2.1
357.13354	4.7
367.11722	6.7
371.11270	36.4
372.11801	3.8
384.93903	1.7
385.12811	22.9
403.13776	50.6
404.14227	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	403.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77964	1.0
55.01175	1.1
56.04420	1.4
61.74548	1.2
62.19461	1.1
67.01863	13.7
68.99796	4.9
69.03432	1.2
69.39118	3.4
69.39522	2.7
71.05012	2.5
91.05492	1.4
95.04971	2.6
103.05471	1.7
105.03394	3.2
105.07036	3.3
111.00832	1.7
115.05473	1.5
117.06973	1.1
119.04955	1.8
119.08572	2.0
121.02847	9.0
121.06548	1.9
135.04393	7.6
137.02341	23.2
137.03380	2.5
137.05991	1.1
145.06496	1.3
147.04399	6.9
147.07983	1.6
159.04440	1.8
161.02357	5.4
163.03954	1.3
163.07520	1.1
167.03358	1.9
171.04297	1.6
173.06038	2.1
175.03922	3.8
175.07443	1.3
179.03391	8.9
189.05511	1.4
191.07033	3.9
193.05078	1.7
195.11348	3.1
199.03773	1.6
201.05536	4.2
203.03355	2.1
217.08603	3.4
219.06541	7.6
221.04613	1.8
237.07397	1.1
245.04468	23.3
255.06514	45.1
256.06900	3.7
257.04523	1.4
263.05438	9.7
268.07367	1.8
271.06100	1.6
273.03943	1.3
273.07135	1.4
279.06454	1.5
283.06015	7.1
283.09381	1.7
285.07471	1.6
287.09131	3.6
292.07321	6.8
297.07907	2.3
297.11176	10.4
299.09229	2.5
307.09647	19.6
325.07013	4.5
325.10718	12.6
335.09131	10.6
341.13846	1.5
343.11777	6.6
353.10126	18.2
354.10779	1.2
357.13190	9.2
367.11819	3.9
371.07355	2.1
371.11447	2.2
385.12811	100.0
386.13031	7.4
403.08344	1.7
403.14059	3.7
416.49670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1391
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
51.15120	1.8
53.03943	4.4
55.01867	4.7
62.94761	2.4
65.03943	5.3
67.05502	3.9
68.99796	9.1
69.03430	5.5
69.07069	3.9
69.09621	14.2
70.06590	2.7
73.72875	2.1
77.03958	2.3
79.05497	10.9
81.03426	7.0
81.07060	11.9
83.05005	3.2
85.02930	4.3
86.08884	2.1
86.09700	4.4
87.04484	9.5
89.06047	2.3
91.05479	20.3
93.07045	6.9
95.04951	12.6
95.08601	6.8
97.06542	5.9
99.04453	2.3
103.05501	8.1
105.03421	16.7
105.04532	4.1
105.07005	12.8
107.04966	10.3
107.08604	4.5
109.02919	4.7
109.06532	4.3
109.10149	3.5
111.04482	4.2
115.05447	3.7
117.03422	3.3
119.04964	15.3
119.08622	4.8
121.02862	25.2
121.06511	7.7
121.10098	3.3
123.04482	2.5
123.08106	5.0
125.06018	3.5
127.01575	3.5
127.03937	6.8
131.04929	15.9
132.05690	14.6
133.02820	12.4
133.06531	6.3
133.10155	5.2
134.03700	2.4
135.04457	9.9
135.08049	2.1
137.02344	87.0
137.03445	5.5
137.05963	21.9
137.09634	3.3
143.08496	2.2
145.06509	4.8
147.04404	50.6
147.08113	2.6
147.11693	2.3
148.04816	4.6
149.02339	2.6
149.04918	3.5
149.05942	16.1
151.03889	5.5
151.07555	6.2
153.03136	3.8
153.05411	3.2
159.04533	2.3
159.07997	2.3
159.11722	2.5
160.05206	7.4
161.02313	11.9
161.05946	12.4
163.03906	7.0
163.07565	4.4
165.01857	4.6
165.05473	33.2
167.07034	8.9
171.04323	2.9
175.03926	3.1
177.05435	16.0
179.03400	10.6
179.07028	4.1
179.08495	2.4
180.07883	6.5
181.04965	4.4
183.06491	3.6
187.03944	2.8
191.07039	15.4
192.07808	30.2
193.05019	9.3
193.08618	9.9
195.06512	3.9
199.14757	2.9
199.87808	2.1
203.67180	2.2
205.08640	4.0
207.06476	2.8
209.08003	2.8
219.06537	8.1
231.06487	3.6
237.07582	3.0
239.07115	5.0
247.05927	3.7
255.06516	53.1
256.06915	3.4
265.07050	4.2
268.07248	6.7
269.08112	6.3
270.05292	11.4
271.06006	100.0
272.06348	4.4
279.06659	3.6
279.10092	6.0
280.07291	3.2
283.05963	3.5
283.09729	6.7
284.06790	4.8
285.07501	2.8
292.07211	4.0
295.09668	8.8
297.07938	2.9
297.11230	10.2
299.05933	4.4
299.09125	34.3
300.09497	2.7
307.09671	6.3
309.07587	6.9
311.09348	4.2
325.10779	12.6
327.08624	66.8
328.09045	3.3
341.13910	5.8
343.11844	4.8
353.10110	25.5
355.11914	2.6
357.13272	4.3
367.11755	9.8
371.11209	42.5
372.11649	4.4
385.12885	29.1
386.13007	3.0
403.13770	54.6
403.18723	2.3
404.14017	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	403.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.4
65.03929	1.8
67.05499	5.7
68.99787	3.1
69.03426	2.2
70.06570	1.6
70.92921	2.4
74.06080	2.2
79.05492	10.2
81.03423	1.9
81.07049	5.7
81.53595	1.2
86.09698	17.8
88.59548	1.2
91.05467	12.7
93.07043	5.2
95.04975	10.0
95.08601	18.2
97.02878	3.4
97.06557	1.7
103.05461	1.7
105.07028	13.8
107.03893	1.3
107.04948	17.6
108.05747	2.2
109.02824	1.7
109.06501	13.7
110.40298	1.3
117.07040	3.2
119.04934	23.3
120.71439	1.2
121.02877	7.4
121.06493	9.5
123.04456	4.2
123.08059	59.4
124.08484	2.6
125.05984	13.0
129.06917	1.5
133.06491	15.4
135.04402	12.2
135.08028	1.4
136.02701	1.3
137.05991	4.8
139.03886	1.7
141.01888	1.2
141.05524	1.4
145.06456	2.4
147.04398	86.7
148.04802	3.2
149.05962	5.3
151.07539	21.0
153.05498	4.2
159.04373	2.1
161.05971	3.7
163.07526	1.9
165.01884	4.9
169.08595	5.9
173.05922	3.1
175.07582	3.1
177.01813	1.3
177.05484	6.7
179.06987	9.7
187.14325	2.0
189.05457	13.3
190.02599	2.5
191.03409	2.9
191.07074	6.6
193.05029	3.3
195.02995	1.7
195.06473	1.7
197.08134	4.6
201.05385	6.5
203.03378	4.2
203.07138	1.9
205.05005	6.7
218.05765	8.5
219.06476	15.9
221.04466	6.2
221.08052	2.1
223.06010	8.3
229.05023	5.1
236.06783	1.9
237.07590	21.8
239.05447	7.0
247.06000	100.0
248.06407	4.7
265.07047	95.0
266.07462	4.0
273.07648	5.3
283.08081	13.4
295.09641	2.4
297.07486	2.5
297.11014	1.8
301.09125	2.4
323.09122	1.7
325.10687	5.4
339.12186	1.8
341.10089	3.6
349.10757	4.0
367.11734	56.3
368.12100	4.2
385.12598	7.8
403.13745	8.8
425.03976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01872	3.5
55.05509	24.9
57.03431	8.2
58.28336	2.2
66.61787	3.1
67.05496	9.7
69.03067	4.5
69.03426	64.8
69.07041	3.6
79.05489	9.1
81.03406	32.7
81.07050	9.4
83.04976	53.9
91.05474	25.4
93.07048	11.8
95.04957	14.0
95.08600	9.4
96.97427	2.4
100.93495	2.2
103.05477	4.3
105.07037	23.3
107.04996	2.8
107.08588	8.4
109.06490	7.8
109.10140	4.0
111.04436	100.0
115.05426	3.8
117.07014	23.6
119.08572	23.0
121.06499	5.5
121.10135	4.3
123.08056	4.9
128.06209	6.8
129.07011	11.4
130.07848	5.3
131.08562	44.3
133.10112	6.4
135.08029	3.3
141.06981	6.5
142.07750	5.4
143.08571	19.3
145.06535	5.2
145.10106	30.1
147.08006	2.4
147.11665	5.6
149.09592	4.0
155.08514	13.2
156.09285	7.3
157.10118	21.8
158.10869	5.3
159.08008	6.5
159.11694	11.5
161.09630	5.5
163.11198	3.5
165.06952	5.8
165.09103	5.2
167.08539	6.4
168.09355	9.5
169.10115	7.7
171.11659	12.8
173.09608	9.0
173.13240	76.0
175.11176	5.1
179.08562	4.7
181.10066	7.6
183.02907	5.4
183.11696	14.6
185.09497	3.8
185.13284	6.4
189.12730	14.0
190.07660	2.5
191.10640	4.2
193.10110	4.5
195.11684	9.7
197.13229	4.7
199.11182	6.8
201.12735	23.8
203.14265	2.9
205.10130	5.1
207.11659	4.5
209.09641	3.2
211.02226	3.4
212.97816	2.9
219.13745	17.2
221.13121	4.3
223.11235	3.0
229.12180	4.5
247.13185	4.3
265.15860	6.6
301.07071	3.5
311.16348	10.3
313.06879	2.6
327.08466	4.8
329.17535	4.8
355.08282	5.0
358.06796	4.0
373.09140	45.5
378.99136	3.0
388.11435	7.3
403.13806	49.9
403.20996	19.5
403.25385	5.5
404.14059	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	403.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.9
55.05504	34.9
56.69053	4.5
58.32722	3.5
64.41185	3.8
67.05489	23.8
69.03062	6.9
69.03426	96.8
69.07052	7.7
70.12137	3.9
70.50371	3.7
70.63699	4.6
70.64018	5.6
74.53796	3.3
79.05499	14.2
81.03410	34.7
81.06647	4.7
81.07042	26.8
83.04971	68.8
83.05439	5.9
85.06499	6.2
91.05461	23.0
91.46751	3.8
93.07043	24.4
95.04955	13.0
95.08592	37.7
101.72588	4.0
103.05499	7.2
105.07012	36.4
107.08551	26.2
109.06521	9.6
109.10173	10.3
111.04437	100.0
115.05461	18.5
117.06999	13.1
119.08562	44.5
121.06455	8.5
121.10139	18.0
128.06235	5.6
129.06999	8.9
130.07892	3.7
131.04907	8.4
131.08569	31.9
133.10127	24.9
135.08047	5.2
135.11726	9.2
141.06953	8.0
142.07780	8.3
143.08546	13.6
145.10118	50.2
147.08017	3.9
147.11679	15.2
149.09619	5.4
155.08536	14.6
156.09282	9.4
157.10124	20.4
158.10858	4.4
159.11691	26.4
160.12059	5.6
161.13255	15.5
163.11140	7.5
167.08563	8.6
169.10112	8.5
171.11714	13.3
175.11307	5.1
175.14948	5.6
177.16402	19.3
181.10117	9.0
183.02844	9.5
183.11760	7.6
185.13216	9.5
187.14803	68.9
188.09648	4.3
188.15149	6.1
194.10895	4.7
195.11714	7.7
197.13254	11.6
199.03809	19.0
203.14311	9.6
205.15883	45.6
211.02489	9.0
215.14322	16.0
217.04970	6.8
233.15414	6.2
257.04639	4.1
267.02826	17.6
269.18973	5.7
279.17441	8.4
285.03848	9.1
297.18408	15.8
299.05447	9.4
301.07193	6.7
315.04971	5.4
315.19632	11.1
327.08594	7.0
340.92752	4.1
355.08072	8.4
358.06674	5.4
373.09122	71.4
374.09427	8.6
388.11780	9.8
403.13861	91.8
403.24838	6.3
404.13965	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	404.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52736	0.9
54.24792	0.8
58.99587	4.4
59.01353	1.0
59.17018	0.8
61.01142	4.0
66.11745	0.7
69.35929	1.8
69.36337	2.6
75.02680	0.9
82.58671	0.8
85.02897	2.6
88.95186	1.8
89.00607	11.9
98.23473	1.1
107.01651	26.5
113.02359	32.5
116.94641	1.0
117.00070	74.5
118.00403	1.8
120.97781	1.5
144.94098	4.1
144.99530	2.5
148.97264	2.8
149.02666	100.0
150.02962	2.1
153.98581	0.9
157.32436	0.9
160.91844	3.5
176.96741	8.0
177.02150	59.0
178.02379	1.4
192.94443	2.8
202.92865	1.9
234.95551	1.7
262.95004	3.5
294.97589	7.6
312.98654	41.3
313.98676	1.9
327.00256	14.3
332.99677	0.9
354.99692	4.7
373.15240	0.9
374.09464	1.9
404.13855	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74242	0.3
65.03919	0.9
65.04778	0.3
68.99477	0.3
68.99792	3.4
79.05459	0.6
85.05811	0.4
91.05450	1.4
92.99741	1.1
95.04944	1.4
100.50426	0.4
103.05462	3.9
105.03384	0.4
106.06517	0.4
107.04950	17.7
110.02361	1.2
111.00785	0.5
111.04407	0.5
120.04431	0.9
121.02858	22.5
121.03822	0.9
122.03178	0.6
123.04423	0.6
131.03966	0.7
131.04926	9.3
132.04422	1.6
134.06004	21.3
135.04402	4.8
135.06345	0.6
138.01854	7.7
139.00320	0.5
144.04388	0.5
145.02826	0.8
148.03885	0.5
150.01881	0.5
152.03391	0.9
156.02908	0.8
156.04440	1.8
158.05983	2.8
160.03865	0.5
162.05489	6.5
165.99997	0.5
166.01363	8.5
167.02106	0.8
170.06001	3.1
176.07027	0.7
178.01343	40.7
179.01659	0.9
180.02913	4.2
184.02344	1.1
184.03888	0.8
186.05521	4.0
188.07047	0.4
196.02492	0.5
198.05504	3.2
204.06509	0.6
206.00838	19.1
207.01128	0.5
213.05391	0.5
214.05092	0.5
224.01920	0.7
225.05428	2.2
226.04988	3.3
230.04427	2.6
238.05017	0.4
240.06375	0.7
242.07971	1.0
248.05544	4.0
254.04462	4.0
270.03992	0.8
270.07516	1.0
272.02539	0.8
272.05508	14.7
282.03961	11.9
282.07584	7.2
283.04507	0.6
283.07632	0.5
284.09119	1.5
300.05005	56.8
301.05368	2.8
310.07101	8.8
311.07056	0.5
314.35373	0.4
358.10931	0.5
374.09375	0.7
376.11694	4.1
386.10181	9.9
387.10681	0.9
404.11249	100.0
405.11612	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	404.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61993	0.5
56.96557	1.0
68.99789	0.6
69.94090	1.0
69.94424	1.1
80.07169	0.4
86.52524	0.5
89.03910	1.7
91.05457	1.0
98.97570	7.5
103.21001	0.5
104.04957	0.7
107.04909	1.1
114.03383	0.6
116.04965	0.5
116.98611	3.9
120.04452	1.7
129.03520	0.6
129.04475	2.9
130.03986	1.6
133.05179	2.4
134.06010	5.9
134.99619	0.8
136.18732	0.5
137.05959	2.6
141.04424	1.4
143.03671	0.8
143.06038	2.9
144.04407	0.7
145.02841	1.6
145.05214	2.2
146.02309	0.8
155.06035	0.7
156.04427	8.7
159.05586	0.7
162.05498	0.6
169.03955	1.3
171.03087	0.7
171.05508	3.0
172.03926	10.6
173.04675	0.7
177.05476	0.7
182.07147	1.0
183.05510	9.9
199.05074	2.9
200.03398	3.2
201.04175	5.0
201.06552	2.2
202.04883	0.7
210.04202	3.4
210.06525	1.4
211.05009	1.1
216.06494	3.4
226.11235	1.2
235.02751	3.7
242.03246	1.5
244.12079	1.0
247.08757	0.5
253.03841	6.9
272.08145	3.8
273.06458	2.0
273.09024	2.2
275.08109	0.8
287.08167	1.4
288.06458	0.8
300.07626	3.2
300.10538	0.5
301.08344	6.4
303.07574	1.1
315.10120	0.7
316.10800	4.0
328.07104	8.5
328.10657	0.8
329.07904	39.4
330.08258	2.5
344.10275	25.7
345.10587	1.9
372.09750	100.0
373.10101	7.5
404.17487	3.7
405.22836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
56.79119	0.5
68.99789	3.3
69.42998	2.1
70.06573	0.5
77.03919	0.9
79.05519	0.5
81.03405	4.3
81.05976	0.5
91.05474	0.9
95.04958	1.7
98.22585	0.5
103.05463	31.7
104.05796	0.9
105.03391	1.2
105.04514	0.9
105.07014	0.8
107.01302	0.6
107.04927	0.6
109.02872	2.8
111.04443	0.9
113.06036	0.5
115.05439	0.9
117.07048	0.6
119.26343	0.4
121.02879	0.9
121.06483	0.5
122.02389	0.5
123.04446	1.2
125.02357	0.6
131.04922	100.0
132.05215	2.4
133.02850	2.0
135.04424	0.6
136.03893	0.7
137.02341	1.4
137.06006	0.6
139.03906	1.1
145.06444	0.6
147.00771	1.8
147.04420	0.7
150.05498	0.9
151.03912	2.0
153.01839	0.5
154.04987	0.7
161.02328	1.5
163.03894	0.7
164.03406	0.8
165.01811	1.8
165.05466	0.7
167.03342	0.9
169.01314	0.4
169.05008	1.1
173.05972	8.8
177.01848	1.0
177.05518	0.7
178.05008	1.7
179.03401	2.7
180.02953	1.3
181.01355	0.7
189.01749	0.5
191.03384	0.9
193.04953	1.7
195.02863	1.5
197.04398	0.9
204.02942	1.0
205.01265	2.1
206.04489	1.3
207.02931	0.9
208.02492	0.7
214.07132	1.1
214.99738	1.1
221.04485	0.9
222.03914	1.1
223.02431	0.5
232.02377	1.7
233.00694	0.7
236.05592	0.6
237.03882	0.5
237.09090	1.1
238.07022	0.6
239.05463	1.6
247.07516	1.0
250.03468	1.3
258.05823	0.5
264.05023	0.6
264.10220	1.0
265.03500	0.8
265.08539	0.8
281.08234	0.5
282.05927	0.9
283.04477	1.0
291.06494	1.0
293.08060	1.4
308.09497	0.7
309.07471	0.8
324.12482	0.6
325.10669	1.4
336.08694	2.3
338.56775	0.5
342.13382	1.4
345.07693	0.5
351.66647	0.5
354.09595	0.8
360.14359	11.3
361.14874	0.9
368.11273	1.4
369.09781	0.8
385.44601	0.5
386.12329	9.3
386.17010	0.8
387.10809	1.3
404.13254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01861	3.2
62.39980	1.5
69.43091	3.0
69.43494	5.2
72.74155	1.3
79.05482	9.4
81.03417	6.8
81.04539	2.1
85.02897	3.2
91.05461	4.3
95.04959	2.8
97.02895	1.8
100.03959	2.2
103.05473	30.7
104.05794	2.9
105.03382	5.3
105.07014	3.4
107.04950	17.0
107.06083	6.3
109.02874	29.0
109.03600	2.0
109.03980	3.9
110.03170	1.6
111.05539	2.4
113.02413	1.7
121.02818	3.6
123.00713	1.9
123.04418	2.6
127.03967	1.6
127.05029	1.7
131.04921	100.0
132.05258	4.8
133.02803	2.6
135.05496	3.1
137.02333	5.7
147.00716	2.6
149.02325	5.4
151.03893	3.3
154.04942	3.7
155.05101	1.8
161.02307	4.7
163.03821	2.3
165.01846	5.2
167.03412	8.8
167.07037	1.8
176.03447	2.2
177.01816	5.0
177.06567	9.6
178.04977	1.8
179.03400	3.6
179.08490	2.0
182.04611	1.5
187.00294	5.7
189.01840	3.6
195.02885	6.6
204.02904	7.0
205.01315	13.4
207.07974	1.9
214.99631	3.3
222.03973	5.5
223.02351	7.9
232.02368	12.1
233.00836	9.0
235.07449	1.9
239.06712	2.0
240.09727	1.4
247.02399	5.2
250.03467	4.0
251.01833	6.7
253.08612	3.1
263.07043	5.1
264.05002	5.7
265.03391	3.1
268.04568	4.8
273.07657	2.8
281.08069	6.4
282.06119	5.0
283.06677	1.8
291.06473	15.2
292.09775	3.2
293.08069	3.5
301.07532	1.6
308.09033	8.6
309.07474	9.3
319.05966	2.7
323.09601	1.7
325.03009	1.8
336.08701	14.9
337.06979	17.6
351.08566	3.7
354.09583	5.1
359.08865	3.2
368.11288	15.7
387.08658	6.4
404.14627	2.5
405.09210	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	404.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39722	1.8
51.66150	1.5
56.15036	1.7
57.01993	1.6
81.03404	4.4
83.01351	2.3
91.05492	2.9
95.04920	2.2
98.22689	3.4
100.03976	1.7
103.05463	27.4
105.07035	3.2
109.02872	3.4
121.95335	1.5
131.01227	3.4
131.04919	100.0
132.05244	3.2
133.02850	6.4
147.00749	8.7
147.04370	2.8
149.02327	2.8
151.03819	1.5
154.01958	1.5
154.04970	2.1
161.02319	3.2
163.03886	2.5
165.01801	5.1
169.01309	1.7
173.05960	1.7
176.03447	2.0
177.01819	4.2
178.07899	2.3
179.03362	3.2
179.08557	2.1
187.00269	18.5
191.03362	10.9
191.08496	1.6
195.02861	4.5
202.54597	1.7
204.02887	13.1
205.01311	27.7
206.01530	2.2
214.99725	8.5
216.13443	1.5
220.05930	2.7
221.04286	2.7
222.03941	4.3
223.02338	2.1
232.02414	18.9
233.00798	3.6
235.07619	3.2
236.05487	3.2
237.03929	3.5
247.02383	4.8
247.07516	1.7
250.03532	2.3
263.06979	3.8
264.04959	4.3
273.07596	4.1
280.08185	2.6
282.06006	1.8
283.04407	2.7
291.06470	15.6
293.08148	3.5
308.09186	11.5
309.07654	4.7
322.10657	3.0
336.08545	11.5
351.08621	5.0
354.09775	3.7
355.07974	2.1
359.11407	2.0
360.14349	3.7
368.11230	31.3
369.09747	6.2
387.10577	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	404.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03899	1.7
67.22610	2.1
79.05489	1.9
81.03418	4.8
91.05437	3.5
97.61163	1.9
98.23483	3.4
103.05466	36.0
105.03388	3.6
109.02905	3.6
131.01244	2.6
131.04930	100.0
132.05280	3.9
133.02846	5.7
145.08441	2.0
147.00792	8.3
149.02350	2.5
151.03902	2.3
161.02286	3.0
165.01837	6.9
167.03400	2.5
173.05942	4.4
175.03934	2.0
176.03374	1.9
177.01840	4.7
181.52531	1.9
187.00235	21.2
191.03406	10.8
191.08531	2.0
195.02840	6.2
204.02914	17.1
205.01328	34.9
214.99669	10.0
222.04062	2.8
223.02397	6.2
232.02406	22.6
233.00751	2.8
235.07643	2.3
236.05421	2.9
237.03955	3.8
247.02295	5.2
250.03542	2.7
263.07156	2.2
264.05066	6.8
291.06516	17.3
308.09219	17.4
309.07590	5.4
322.10416	2.8
326.10358	3.0
336.08643	18.1
337.06924	2.4
351.08655	4.5
354.09845	3.2
355.08011	2.4
360.14529	2.3
368.11288	34.9
369.09854	6.1
386.12335	4.6
387.10458	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	404.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04448	1.2
51.51358	1.2
55.01882	3.1
64.25981	1.4
65.03937	1.7
67.05481	1.3
68.99783	6.6
69.03419	3.0
69.12758	4.3
69.13150	2.5
70.06622	1.9
79.05495	2.7
81.03436	4.8
83.01342	14.9
85.02913	1.9
91.05477	8.9
95.01360	2.4
95.04987	3.2
98.23502	2.8
100.03975	18.0
103.05462	30.4
103.06111	2.1
104.05767	1.3
105.07036	3.2
107.04963	3.6
109.02876	15.2
120.04445	1.6
121.02882	3.8
121.06509	5.1
123.04424	4.2
125.02346	1.8
127.03896	1.8
131.04924	100.0
132.05263	3.3
133.02898	1.3
135.04402	1.4
136.01489	1.4
136.07521	1.4
137.02315	8.1
137.06020	3.7
147.04436	1.7
148.03951	2.5
149.02299	3.2
151.03931	2.8
153.01843	6.9
154.02600	3.1
154.05025	3.6
154.08589	3.7
155.03419	2.1
160.03903	2.8
161.02234	1.9
162.87273	1.3
163.03886	2.6
165.01849	5.6
165.05540	2.0
166.05031	3.4
166.99797	1.4
167.03383	3.1
168.00519	7.7
169.01338	11.3
171.04424	1.8
173.06004	1.7
177.01826	9.2
178.02332	1.4
179.03412	2.9
180.06567	1.9
182.02098	5.4
183.02873	5.9
185.00858	5.7
186.01604	5.7
189.01802	3.9
190.01309	2.5
191.03384	3.4
193.04948	2.1
195.02895	10.5
196.10805	1.9
198.07617	4.2
199.02399	12.1
200.03151	4.0
204.02997	2.4
205.01291	14.8
205.03018	1.9
207.02896	7.4
209.00845	4.4
209.04469	3.5
215.81360	1.4
216.08716	3.7
219.02875	12.0
221.04419	1.7
222.03966	7.2
223.02330	9.9
223.07596	1.7
224.10411	1.7
228.13512	1.7
231.06395	1.4
232.02431	9.8
233.00812	7.6
235.07481	1.7
236.05389	1.5
237.03938	3.1
240.05051	1.5
247.02356	3.1
250.03415	9.4
251.01917	6.1
263.07040	3.5
264.05011	5.7
265.03421	4.5
268.04504	5.0
271.05923	6.2
272.06839	4.6
273.07547	21.8
281.08163	4.2
282.05984	2.7
283.04538	2.9
285.00851	1.4
285.07535	16.7
286.08368	6.5
287.09149	4.2
291.06494	3.7
293.07999	9.3
294.07553	1.8
295.06064	3.5
308.09207	2.0
309.07602	10.9
323.09167	5.0
327.08624	5.1
336.08719	8.7
337.07108	13.3
344.47580	1.5
350.10214	2.1
351.08508	8.4
354.09726	27.6
354.13831	2.6
355.07898	14.9
368.11234	9.0
369.09683	4.5
372.10837	3.1
372.15613	1.6
386.12396	4.5
387.10751	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	404.153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
64.26919	0.3
67.39199	0.4
69.03431	0.5
69.52933	1.0
69.64960	0.4
80.05045	0.4
81.03409	0.6
85.02891	1.4
87.00838	0.4
87.92891	0.4
95.04964	0.4
97.02890	0.8
98.22606	0.3
105.01807	0.4
108.04510	0.4
109.02876	0.8
121.06508	0.5
127.03920	0.9
151.03873	1.6
152.04242	1.1
166.39737	0.4
187.03920	0.7
224.08900	0.5
241.01598	0.4
242.01579	0.4
242.09959	1.4
242.12083	0.5
257.06256	0.9
274.08936	3.5
284.11078	1.2
314.11987	1.1
326.11938	0.5
330.07959	0.7
344.13168	3.6
368.07855	0.4
376.35815	0.4
386.14362	2.5
404.15256	100.0
405.15619	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
53.94122	1.5
55.01870	7.7
57.03428	5.7
60.04501	1.7
61.02911	4.7
66.33470	1.6
67.05482	2.4
68.99780	4.2
69.03429	30.2
69.51284	4.1
69.51670	3.1
71.04976	3.9
71.28828	1.5
73.02908	8.3
79.05460	3.2
81.03412	23.2
82.03697	1.8
83.04958	1.6
85.02901	100.0
86.03206	1.7
87.00346	2.8
87.00826	32.6
91.03918	1.9
91.05466	5.6
93.07024	1.8
95.04955	2.6
95.08630	1.5
97.02890	34.4
99.04446	13.3
104.07072	1.7
105.01863	47.8
105.07047	3.7
107.04936	3.0
108.04482	3.7
108.05239	1.5
109.02877	32.8
109.06525	3.1
117.01852	4.2
119.04932	5.6
119.08580	1.6
120.05290	2.0
120.67004	1.6
121.02847	4.2
121.06482	4.2
122.03227	2.0
123.08064	2.9
124.08410	1.8
125.06009	2.3
127.03912	83.3
129.01819	6.3
135.08084	1.8
137.05986	3.1
139.07538	2.5
145.04956	34.9
147.02919	3.1
147.04396	19.7
148.04675	10.1
149.02242	1.5
151.07507	3.8
159.02893	21.2
163.07594	2.3
189.03903	2.5
189.05431	2.4
198.09781	1.7
201.05424	2.4
205.08525	2.2
212.05743	2.0
213.03908	3.2
219.06274	1.8
220.06860	1.7
230.06499	1.9
231.04953	17.2
247.05939	3.4
247.09631	3.0
248.06271	3.6
249.06055	3.6
265.07047	6.4
266.07388	8.0
368.12006	6.0
404.13519	3.3
405.09451	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.01865	9.6
57.03440	5.9
61.02928	5.9
68.99787	3.9
69.03424	31.5
69.21206	6.2
70.06577	4.2
71.04987	4.5
73.02908	6.7
73.03252	1.2
79.05494	1.4
80.05009	3.9
81.03414	23.5
83.01208	1.1
85.02901	100.0
86.03236	2.0
87.00826	39.4
91.05477	3.9
93.07036	3.1
95.04943	1.9
97.02890	29.4
99.04459	11.5
103.03931	2.7
103.05460	5.7
105.01857	55.7
107.04950	5.2
108.04475	3.4
109.02865	27.8
115.03944	1.6
117.01851	2.0
121.06493	29.9
127.03908	61.7
128.04269	1.6
129.01849	4.1
131.04910	8.0
145.03841	2.0
145.04948	30.9
145.06551	2.7
147.02843	2.5
147.04401	2.4
159.02895	18.6
161.05881	1.7
163.03928	2.0
163.07521	3.5
167.18797	1.3
169.46863	1.3
171.02933	2.0
177.06631	2.5
187.03792	2.4
187.07535	4.3
189.03897	11.8
189.46552	1.3
205.08566	5.2
211.07608	1.5
213.03931	1.8
229.08553	4.5
231.04965	17.1
242.03252	2.6
247.09590	5.0
248.07620	2.5
249.06111	6.3
294.31168	1.5
333.09756	1.7
355.32147	1.3
392.25226	1.3
404.14667	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00537	2.0
53.03939	6.2
55.01868	7.4
57.01858	1.9
57.03434	5.0
61.02925	5.7
68.99780	2.3
69.03430	32.6
71.04996	4.2
73.02905	8.4
75.73583	2.1
80.34111	1.9
81.03418	29.5
85.02905	100.0
87.00829	41.0
89.13741	2.0
91.05473	3.4
93.07059	4.5
97.02892	27.6
99.04440	15.2
103.03956	5.2
103.05476	3.4
105.01870	71.3
107.04957	2.7
108.04458	2.2
109.02876	29.4
121.06508	40.3
123.23957	1.8
127.03913	73.8
129.01845	5.1
145.04964	45.5
145.06467	3.3
147.02872	3.9
159.02885	17.3
187.07518	6.0
189.03946	15.5
205.08592	6.8
213.03990	4.6
229.08556	2.3
231.05016	22.3
247.09660	6.1
248.07610	4.6
249.06055	6.3
390.78192	2.0
404.15201	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
53.94122	1.5
55.01870	7.7
57.03428	5.7
60.04501	1.7
61.02911	4.7
66.33470	1.6
67.05482	2.4
68.99780	4.2
69.03429	30.2
69.51284	4.1
69.51670	3.1
71.04976	3.9
71.28828	1.5
73.02908	8.3
79.05460	3.2
81.03412	23.2
82.03697	1.8
83.04958	1.6
85.02901	100.0
86.03206	1.7
87.00346	2.8
87.00826	32.6
91.03918	1.9
91.05466	5.6
93.07024	1.8
95.04955	2.6
95.08630	1.5
97.02890	34.4
99.04446	13.3
104.07072	1.7
105.01863	47.8
105.07047	3.7
107.04936	3.0
108.04482	3.7
108.05239	1.5
109.02877	32.8
109.06525	3.1
117.01852	4.2
119.04932	5.6
119.08580	1.6
120.05290	2.0
120.67004	1.6
121.02847	4.2
121.06482	4.2
122.03227	2.0
123.08064	2.9
124.08410	1.8
125.06009	2.3
127.03912	83.3
129.01819	6.3
135.08084	1.8
137.05986	3.1
139.07538	2.5
145.04956	34.9
147.02919	3.1
147.04396	19.7
148.04675	10.1
149.02242	1.5
151.07507	3.8
159.02893	21.2
163.07594	2.3
189.03903	2.5
189.05431	2.4
198.09781	1.7
201.05424	2.4
205.08525	2.2
212.05743	2.0
213.03908	3.2
219.06274	1.8
220.06860	1.7
230.06499	1.9
231.04953	17.2
247.05939	3.4
247.09631	3.0
248.06271	3.6
249.06055	3.6
265.07047	6.4
266.07388	8.0
368.12006	6.0
404.13519	3.3
405.09451	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03940	3.2
55.01868	0.5
55.05498	0.6
57.03424	1.3
63.38790	0.4
69.03422	8.1
69.66513	0.9
69.66904	0.8
70.06588	0.7
71.04978	1.7
72.08160	0.4
72.74164	0.4
73.02874	0.5
77.70813	0.4
78.03448	10.8
78.41043	0.3
80.05009	2.3
81.03411	12.7
83.04984	2.0
84.08134	0.8
85.02898	7.7
85.04008	0.4
86.09707	0.8
93.39656	0.4
96.04492	3.7
97.02891	3.8
99.04446	1.9
101.06010	3.5
106.02909	48.1
107.03186	0.7
109.02877	9.1
122.38003	0.4
124.03945	100.0
125.04306	2.3
127.03904	5.3
127.56780	0.4
128.00720	0.5
145.04942	0.6
152.08800	0.4
154.05011	0.4
166.04964	1.3
185.94870	0.4
196.06033	0.6
232.06052	2.5
250.07094	15.1
251.07405	0.8
260.08121	0.4
268.08142	48.4
269.08441	1.8
271.06033	0.5
286.09244	2.2
299.01947	0.5
299.05225	0.6
315.04816	0.6
343.04419	0.5
347.43756	0.6
404.15512	4.2
429.75684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07700	0.6
54.25388	0.8
56.96287	1.2
56.96562	19.2
64.46609	0.8
67.14590	0.8
70.13161	0.8
70.55327	1.7
71.95254	1.3
79.05486	1.3
91.05451	0.9
94.04169	2.2
96.98378	1.5
97.06568	0.7
98.97576	96.8
114.99424	1.2
116.98615	64.6
122.03638	5.3
134.99651	28.6
137.05966	45.0
138.06380	1.2
140.00198	3.0
153.00745	3.5
154.30409	0.8
157.10138	0.7
158.01218	2.0
179.00128	2.0
197.01233	3.2
211.02800	1.4
220.00494	2.5
224.09665	1.6
226.11118	19.5
227.11478	0.9
235.02745	62.2
236.03226	1.4
238.01527	2.7
244.12231	9.0
253.03822	100.0
254.04199	3.5
268.12225	4.0
271.04736	3.8
276.05383	7.2
280.12216	1.5
286.13193	1.2
329.12643	0.8
344.11157	1.3
344.15237	8.3
362.16492	1.4
372.09802	3.8
374.09491	1.2
404.17453	69.7
405.17740	7.0
405.22531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97456	11.3
67.05489	18.9
67.11284	9.8
69.81641	35.8
70.06587	40.1
79.05489	14.2
90.47199	9.7
91.05492	11.4
93.07045	23.2
95.04963	100.0
98.23412	12.2
105.07034	18.8
107.08562	11.6
115.08701	56.1
119.08569	14.4
121.06541	15.4
152.78067	11.6
241.07086	11.1
374.09427	51.1
404.14349	61.8
405.25940	39.1
405.30908	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	405.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72605	0.5
68.99776	0.8
69.03425	1.2
69.07076	0.8
71.42971	0.7
84.08139	0.8
85.02901	1.0
91.05487	1.4
95.04957	0.9
97.02891	0.7
105.06977	0.8
107.04932	0.9
114.09209	0.8
117.53130	0.7
119.04931	2.4
121.02870	2.5
121.06477	1.0
123.08058	0.8
124.03884	0.6
126.01045	1.1
127.03924	1.4
128.00774	2.3
131.04936	1.1
134.06915	0.6
137.02359	0.8
137.05923	0.6
146.05223	0.5
147.04399	6.3
148.04732	1.5
166.99178	0.7
167.07033	0.9
173.08212	1.3
181.04948	0.9
187.05818	0.8
225.10254	0.7
233.08084	0.8
253.09828	0.9
267.07874	1.2
276.03183	2.0
277.03082	1.4
281.09213	1.7
283.09601	0.8
287.01843	1.2
304.05551	0.6
308.02838	1.2
309.03519	0.7
309.08704	2.2
312.96362	0.7
327.09750	1.6
345.10843	2.2
349.10925	2.3
351.12173	0.7
361.06787	1.3
369.13135	0.8
373.09869	0.9
377.10052	2.4
405.09448	100.0
406.09854	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	405.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04713	0.7
67.05487	1.0
68.99744	0.6
69.03418	0.7
69.07063	1.0
69.87606	2.2
81.03410	0.8
81.07052	1.0
84.96909	0.7
91.05489	1.4
92.94611	0.7
93.07042	1.1
95.08596	1.4
97.06545	1.9
98.23459	0.8
100.11308	0.7
101.05882	1.2
105.07047	0.8
107.04987	1.0
109.02911	0.7
117.07086	0.8
119.08601	1.0
121.02884	3.0
123.08065	1.8
131.04913	2.0
135.08110	1.0
135.27007	0.7
137.02330	1.2
147.04381	1.4
157.10179	1.0
167.07036	1.1
171.11621	0.7
221.10036	0.8
231.02876	0.8
247.06100	0.7
259.02191	0.9
279.02554	6.3
287.01974	2.7
307.02094	20.6
308.02722	2.9
311.09140	1.5
343.12054	1.1
351.12424	0.9
355.11871	1.2
373.12857	1.7
387.13507	2.7
405.09567	100.0
406.09821	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	405.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01851	0.8
58.24373	0.7
65.03905	0.8
65.59401	0.8
68.99776	2.5
77.03928	1.0
81.03396	5.6
83.01340	1.2
91.05482	3.5
95.04967	2.7
95.56371	0.7
103.05459	32.7
104.05776	1.0
105.03360	1.6
105.07020	2.2
106.02943	1.3
107.04961	1.3
109.02885	5.9
110.62443	0.7
113.06010	0.9
121.02891	1.0
121.06478	1.8
123.04430	2.2
125.02325	0.8
127.03880	1.2
131.04919	100.0
132.05246	2.6
133.02843	5.9
134.02345	1.5
135.04395	0.9
137.02348	2.2
137.05942	1.4
145.06491	1.0
147.04428	0.9
147.38997	0.8
148.17249	0.8
149.02344	2.3
149.60059	0.8
151.03883	2.5
155.03409	1.4
155.04898	1.9
161.02332	2.2
163.03915	1.8
165.01845	2.0
165.05461	2.2
166.04961	1.0
167.03421	3.4
167.05299	1.0
169.04959	1.2
173.05954	5.4
175.03949	2.7
177.01830	6.0
179.03394	3.5
179.08543	1.4
181.04788	1.3
189.01753	1.0
191.03377	25.3
191.06950	1.8
191.08527	1.1
193.04924	2.2
195.02890	6.2
203.03349	1.0
205.01329	3.1
207.02983	1.6
207.08029	1.3
216.08614	2.2
217.08899	1.4
219.02950	1.1
219.08080	1.6
221.04398	2.2
223.02380	3.0
235.07666	1.7
237.03886	11.2
241.03424	0.9
251.01932	0.9
263.06998	2.9
265.08597	1.3
281.06354	1.3
283.01801	1.1
283.04523	14.4
291.06406	2.3
309.07620	5.0
323.08963	1.1
327.08643	2.7
337.06958	2.4
341.10327	1.3
351.08612	2.1
355.07977	2.2
369.05569	0.9
369.09637	24.0
370.09882	2.2
387.10828	1.1
405.11731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
57.02468	0.4
67.01856	3.4
68.99785	2.9
69.03411	0.8
69.22749	2.0
74.21371	0.4
77.03927	1.0
79.01838	0.6
85.02876	0.5
87.00858	0.4
91.05460	0.5
93.03379	0.5
95.01333	1.3
95.04968	3.0
97.58404	0.4
99.04478	0.8
101.02367	1.2
103.05460	40.6
104.05771	0.9
105.03378	0.6
105.04501	0.4
105.06996	0.8
113.02361	0.9
115.05409	0.5
119.08567	0.5
121.06395	0.4
127.03915	2.7
131.04913	100.0
132.05266	3.6
137.02321	0.7
139.00256	2.8
143.03365	0.5
149.02339	1.2
151.03894	2.2
153.01796	2.1
155.03378	3.4
155.04890	2.2
163.00214	2.1
165.01814	0.9
165.06964	1.1
167.03325	0.5
169.04990	1.0
171.02884	1.1
173.05960	3.8
176.95726	0.4
177.01797	1.0
179.03395	2.5
179.04788	0.5
181.01334	4.6
181.04938	2.2
181.06389	0.6
183.02846	0.6
183.77473	0.4
195.02824	1.7
197.04474	0.9
199.02417	1.1
199.07590	0.5
205.01279	0.8
205.06573	0.8
207.02896	0.6
209.00797	1.3
209.04384	3.9
211.05933	0.7
213.03903	1.0
221.04338	1.0
223.02374	3.5
223.07510	0.5
237.03903	9.9
241.03430	3.1
249.05455	1.1
251.01804	0.6
251.06903	0.9
255.04929	1.1
257.08188	0.5
267.06433	2.4
269.03128	0.8
277.04916	1.0
281.08258	2.8
283.04468	5.6
285.07590	0.6
295.06027	1.7
299.09003	0.5
301.04379	0.4
309.07431	2.2
311.09082	0.7
323.09109	0.6
325.10663	0.6
327.08646	3.5
337.07114	0.8
341.10162	0.8
345.09775	0.8
355.08258	1.1
369.09650	8.0
369.13962	0.7
370.09995	0.8
387.10687	1.4
405.06317	1.9
405.10858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
53.03909	0.3
63.63689	0.4
66.45686	0.4
67.01855	2.1
68.99787	2.9
69.03407	0.7
69.12417	1.9
75.19473	0.4
77.03918	0.8
82.11248	0.4
84.86327	0.4
85.02886	0.5
91.05489	0.6
95.01315	1.2
95.04964	2.3
96.04447	0.4
98.23559	0.8
99.04440	0.5
101.02370	1.1
103.05458	35.6
104.05798	0.8
105.03425	0.6
105.04478	0.7
105.07005	1.2
113.02341	1.1
119.03365	0.4
123.04308	0.8
125.02328	0.8
125.05957	0.5
127.03901	3.0
129.07004	0.6
131.04913	100.0
132.05266	3.5
135.00757	0.4
137.02330	0.9
137.05971	1.0
139.00272	2.4
139.03777	0.4
141.05385	0.4
145.06491	0.5
147.04353	0.6
149.02266	0.7
151.03897	1.6
153.01808	1.6
155.03381	2.8
155.04893	1.9
155.05984	0.6
157.01190	0.4
163.00252	1.8
165.01886	0.5
167.03413	0.8
171.02879	0.9
173.05975	4.3
177.01862	1.2
179.03404	1.9
179.04794	0.5
181.01305	4.1
181.04942	2.6
190.99698	0.5
195.02919	1.2
197.04416	0.5
199.02316	0.5
199.05762	0.4
199.07530	0.8
205.06482	0.5
207.02722	0.5
209.00771	1.0
209.04321	2.8
211.03853	0.8
211.05753	0.5
213.03947	1.1
221.04430	1.1
221.06195	0.6
223.02348	4.6
223.07497	0.8
237.03908	10.0
237.06290	0.6
241.03377	2.5
249.05501	0.9
251.01793	0.6
251.07047	0.9
255.05038	0.9
257.08115	0.7
267.06473	2.4
277.04709	0.7
281.08301	2.2
283.04462	5.9
284.04999	0.5
295.05969	2.1
301.04599	0.9
309.07529	1.6
311.09225	0.6
327.08646	3.3
337.06946	0.5
341.10114	0.5
345.09756	0.8
355.08026	1.2
369.09647	8.8
370.09906	0.4
387.10574	1.3
387.20990	0.4
405.10651	2.4
406.12601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
54.03454	0.9
58.80592	0.6
61.63620	0.6
62.50885	0.5
64.62581	0.6
68.99762	0.7
70.74561	1.0
77.03942	1.7
79.05489	60.9
80.05006	5.2
80.05812	1.5
81.04534	12.0
82.05311	1.4
83.06099	0.7
85.02885	0.8
91.05489	1.0
94.06570	0.9
95.04979	4.9
97.44699	0.5
102.84563	0.7
103.05474	3.7
104.05003	1.0
105.04510	1.9
105.07033	2.8
106.05290	2.1
107.04946	100.0
107.06070	46.2
108.03201	1.0
108.05266	1.5
108.06854	2.1
109.03993	22.8
109.07639	5.2
111.05555	8.7
117.07027	1.9
119.05982	0.8
121.07645	3.8
122.06032	3.6
125.07101	0.7
127.05029	7.6
131.04965	3.6
132.05281	0.8
133.03941	0.7
133.07591	1.0
135.04517	1.5
135.05530	23.9
137.03476	4.5
140.02631	1.5
145.06401	0.7
147.05554	1.4
148.04002	0.7
149.05969	0.9
149.07079	9.6
150.05504	1.3
151.05034	2.5
151.08662	11.2
153.06636	0.8
155.04549	3.7
161.03473	0.7
175.05011	2.0
177.06584	55.5
178.06924	1.4
179.04463	1.3
182.10713	0.6
195.07613	6.0
203.04584	0.7
221.05553	4.3
239.06644	3.5
249.83488	0.7
253.13290	3.1
281.12891	0.8
282.97482	0.7
297.12201	1.2
338.07388	0.6
392.25955	0.8
405.12939	11.0
406.13287	0.8
416.25409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
51.35340	0.7
53.03959	1.7
54.03473	1.4
65.03936	0.8
66.18265	0.8
68.05021	1.0
68.99796	1.0
69.03458	1.2
70.06583	2.5
70.75453	1.3
71.01353	2.7
77.03925	0.8
78.59318	0.6
79.05490	66.9
80.05008	5.9
80.05814	1.5
81.04538	27.2
82.05313	2.6
85.02892	1.4
85.06536	1.7
91.05474	2.1
94.06572	1.0
95.04967	5.0
95.06098	1.0
97.02907	1.1
103.05469	5.1
105.03384	1.2
105.04516	3.1
105.07009	6.8
106.05292	3.5
107.04955	100.0
107.06083	45.0
108.03215	1.6
108.05287	1.8
108.06894	1.1
109.03999	47.8
109.07623	5.1
110.04355	0.9
111.05572	6.8
113.02372	1.0
115.05459	2.2
117.07025	3.0
119.06068	1.3
119.86333	0.7
121.06509	0.9
121.07632	4.9
122.06019	4.2
125.07108	1.0
127.04168	1.1
127.05047	6.6
129.06998	1.0
131.04924	4.5
131.05978	1.5
131.08569	1.5
135.05539	20.0
137.03465	3.7
141.06952	1.5
145.06525	2.1
147.04427	1.5
147.05565	2.1
148.03981	1.6
149.06006	1.0
149.07100	11.7
149.09641	1.8
150.05489	1.7
150.07460	1.0
151.04994	7.6
151.08644	9.6
153.06635	1.7
154.08725	1.0
155.04514	7.6
157.01581	1.1
161.03465	2.0
167.06970	1.0
169.06366	0.9
175.05017	2.9
177.06587	72.8
178.06947	2.1
179.04567	0.9
181.04898	1.2
191.10664	0.9
193.06102	3.0
195.07675	5.8
203.04494	1.8
205.06136	1.7
209.11740	0.9
221.05537	3.8
227.12811	2.7
239.06628	3.2
241.57562	1.0
253.13321	4.8
281.12933	1.6
405.12885	19.6
405.20935	1.2
406.13055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
54.03460	1.0
61.72582	0.7
65.99683	0.7
68.99776	2.0
69.03433	1.0
69.40585	3.4
69.72780	0.7
70.06588	4.3
70.47613	0.7
71.01345	2.5
77.03927	1.0
79.05487	67.1
80.05004	6.0
81.03469	1.0
81.04533	22.8
82.05325	1.9
83.06100	1.0
85.02900	1.7
91.05486	3.4
94.06541	1.5
95.04957	5.8
95.06059	0.9
98.23372	1.6
103.05472	9.0
104.04998	0.8
104.84642	0.7
105.03411	3.7
105.04528	3.9
105.07018	7.6
105.21696	0.7
106.05289	3.0
107.04952	100.0
107.06078	43.5
108.03204	1.3
108.05286	1.8
108.06866	1.3
109.02827	1.5
109.03994	43.0
109.07634	3.8
111.05576	5.4
112.08682	0.9
113.02370	1.1
114.20470	0.7
115.05454	1.3
117.07014	2.6
120.78739	0.7
121.02867	0.9
121.06610	1.3
121.07619	6.2
122.06016	3.9
123.04381	1.4
125.02393	0.9
125.07115	1.8
126.04229	0.7
127.05021	6.3
128.06215	1.1
131.04919	18.2
131.05978	0.6
133.06567	1.4
133.07613	1.5
135.05528	21.4
137.02531	0.8
137.03406	4.6
141.07051	1.0
145.06499	1.7
147.04440	1.6
147.05554	2.2
148.03903	1.8
149.05977	1.5
149.07089	12.6
150.05511	1.9
151.04994	7.9
151.08670	10.1
153.06512	1.4
155.04504	8.8
155.05829	1.4
161.03467	2.0
163.07581	0.8
169.06535	1.0
171.04350	0.7
173.05910	1.0
175.05054	2.0
177.06587	66.0
178.06979	2.0
179.04597	1.1
193.06056	2.3
195.07672	8.2
203.04471	1.4
205.01187	1.0
205.06204	1.5
221.05531	4.5
224.02994	0.8
239.06700	3.0
249.05110	1.0
253.13397	3.6
263.11880	1.1
273.03873	1.0
281.12878	1.7
291.06525	1.0
405.12881	26.3
405.18036	1.4
406.13287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.7
51.02362	0.9
53.03942	1.7
59.64247	0.6
65.03924	0.7
67.05516	0.9
68.05019	1.1
68.99809	1.2
69.03429	1.2
71.01346	1.8
72.96790	0.8
77.03915	1.1
79.05489	64.7
80.05018	7.2
80.05812	1.2
81.03404	2.1
81.04536	14.3
81.05817	0.9
82.05316	1.5
83.06071	0.9
84.08138	0.8
85.02896	1.4
91.05468	2.2
94.06574	1.0
95.04971	6.3
95.06086	0.6
97.02901	0.8
98.97573	1.0
103.05455	4.7
104.05022	0.9
105.03398	4.7
105.04509	2.7
105.07021	4.1
106.05305	2.9
107.04951	100.0
107.06077	45.7
108.03226	1.3
108.05273	3.2
108.06871	2.5
109.02845	1.8
109.04002	20.0
109.07640	5.7
111.05570	9.2
113.02354	1.0
115.05448	0.9
117.07011	1.9
119.06017	1.6
121.06482	1.0
121.07620	3.1
122.06007	2.7
125.07112	0.9
127.05033	7.8
128.06207	0.8
129.03348	1.2
129.07031	1.0
131.04947	7.8
131.05902	1.1
132.05264	1.1
133.07607	1.0
135.05527	23.5
136.05977	0.7
137.02538	0.9
137.03456	3.8
137.05980	1.0
143.08546	0.7
145.06464	1.2
147.04390	1.8
147.05495	1.5
149.06010	1.3
149.07085	9.0
150.05507	1.4
150.62888	0.7
151.03932	1.0
151.04997	2.4
151.08649	16.4
153.06654	1.2
155.04492	3.2
161.03448	1.2
167.07045	1.4
169.06255	0.8
171.04405	0.8
175.05103	1.5
177.06583	62.1
178.06912	2.0
179.04588	0.9
181.04958	2.4
183.04367	0.8
189.01814	1.2
189.03609	0.7
189.05417	0.7
195.07655	9.7
201.05499	1.0
203.04718	0.7
205.06134	0.8
207.02963	0.8
221.05583	6.2
233.08188	1.0
239.04050	0.9
239.06554	5.5
252.07745	1.0
253.13336	3.2
257.04404	1.4
263.06757	1.1
265.03867	1.3
267.06613	1.1
278.05682	3.2
279.06476	1.8
280.07352	1.1
281.12680	1.1
285.03845	2.0
291.06482	8.1
292.07095	4.0
301.08197	1.0
305.08051	2.9
306.08707	1.6
309.07568	6.0
313.08487	1.1
319.05042	1.4
319.09314	0.8
321.07492	1.7
323.05563	0.7
325.03189	1.6
331.09525	2.8
333.07574	1.6
335.09076	1.2
341.08121	0.7
349.10654	3.4
357.20038	0.8
358.08417	0.9
359.09109	4.3
361.07077	1.3
369.07507	1.8
375.08530	1.0
377.10260	1.3
387.08594	14.2
387.13669	1.3
388.08902	0.9
405.08936	20.4
405.13559	3.4
406.09796	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.05381	0.4
55.01867	0.6
68.64057	0.4
68.99786	4.5
69.19350	2.3
73.61578	0.4
77.03885	1.0
90.96560	0.5
91.05478	5.6
95.04953	1.9
98.22625	0.8
103.05456	38.7
104.05809	0.9
105.03391	3.8
105.04531	1.6
105.07046	0.6
115.05444	8.0
117.07008	10.7
121.06512	0.8
127.05402	0.8
128.06232	1.8
129.06984	4.1
131.04915	100.0
132.05284	2.3
133.06453	0.5
139.05406	7.3
141.06961	1.8
143.04921	3.9
145.06470	8.8
149.54149	0.5
153.06964	0.8
155.04893	8.7
155.06032	3.0
156.05281	0.5
157.06467	5.4
159.04398	1.8
165.07022	1.1
167.04906	5.9
168.05692	0.9
169.06442	1.7
170.99167	0.5
171.04376	3.5
173.05966	16.1
183.04404	11.5
183.06035	0.7
183.08006	0.5
185.05957	6.1
187.07567	2.1
189.05466	0.6
195.04405	5.5
196.05130	0.6
197.05972	2.2
199.03973	1.3
199.07465	1.0
201.05450	3.5
203.07027	1.6
209.77489	0.5
211.07503	1.0
213.05428	7.5
215.06979	0.9
217.04958	0.7
217.08546	1.2
219.06514	1.8
221.06038	0.9
223.03857	7.2
225.05455	1.5
227.07059	0.5
231.06465	2.5
237.05487	0.8
239.06743	0.5
240.04216	0.7
241.04926	32.9
242.05304	1.4
245.08063	0.8
249.05452	0.6
251.03395	7.1
252.09335	1.6
253.10110	2.0
255.06480	2.2
255.11661	0.7
259.05997	3.3
265.10202	0.8
269.04446	8.0
271.11203	1.1
273.07663	0.7
281.09576	4.5
283.05984	9.2
283.10962	0.8
285.09073	1.1
287.05466	1.5
291.08630	0.6
299.10693	1.9
301.07037	14.4
302.07465	1.0
309.09024	3.0
311.10724	0.8
327.10123	11.9
328.10638	0.9
341.11621	3.0
345.11176	3.0
355.09601	6.7
373.10660	1.9
387.12180	3.7
388.11914	0.6
405.13538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86959	0.5
69.92663	1.3
70.02963	0.6
70.06587	1.1
71.08596	0.5
82.02946	1.5
82.08067	0.6
91.05482	1.3
103.05449	3.8
107.04980	1.2
108.90640	0.6
110.06067	0.8
111.05180	0.6
120.04436	0.8
131.04910	9.8
132.04422	5.1
132.05263	0.8
146.02406	1.1
146.05939	2.7
147.04366	0.7
149.07076	0.6
150.07913	0.8
158.05972	0.6
160.07574	6.2
165.01869	1.0
172.04008	1.7
172.07550	0.8
174.05476	3.2
178.01338	1.3
188.03447	0.9
188.07050	8.3
189.01851	1.0
200.03423	0.8
200.07159	0.8
207.02859	1.2
210.05508	1.5
212.06960	0.7
214.05104	1.3
216.06587	1.4
220.06052	0.8
226.04916	0.7
228.02934	14.1
228.06477	7.4
229.03378	0.7
230.04456	6.9
230.08101	1.3
238.04994	1.2
241.04811	1.5
242.04631	1.7
246.03990	2.1
248.05565	0.7
250.12260	1.2
256.02432	5.9
256.06067	26.2
257.06686	1.5
258.07660	0.6
266.04498	1.6
269.04456	2.8
270.00146	0.6
270.05151	1.6
271.05942	1.2
274.07071	1.0
284.05524	37.2
285.05920	1.8
290.11755	0.7
301.05270	0.8
302.06592	2.5
318.11288	0.9
332.09241	2.2
334.10858	1.1
344.02011	1.2
346.10608	0.9
359.04471	1.8
360.08594	2.3
360.12534	3.6
362.02905	1.0
377.05435	0.6
388.11768	100.0
389.12021	5.9
405.14893	8.4
406.13599	0.7
406.35275	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47499	3.1
53.03943	9.7
55.01867	6.6
55.05510	14.6
57.03415	3.4
61.01152	82.8
65.03940	6.8
67.05500	55.0
69.03426	37.6
69.07063	5.6
69.65729	10.4
71.04992	4.7
72.54558	3.4
73.01138	4.0
75.32995	3.1
79.05487	23.8
81.03414	100.0
81.07051	17.8
83.04980	19.6
85.01132	9.2
85.06549	8.2
89.00613	28.3
91.05476	36.0
93.07043	28.2
95.04972	25.4
95.08614	20.4
97.01157	4.8
99.02688	6.9
101.00626	9.0
105.07024	52.0
106.72372	3.1
107.04965	12.5
107.08584	27.8
107.24438	3.5
109.02879	13.9
109.06487	17.2
109.10178	4.0
111.02673	4.7
111.04437	23.0
113.00578	8.9
113.05990	7.5
115.02129	8.3
115.05454	10.1
117.00095	9.7
117.06998	22.6
119.05012	3.6
119.08584	46.3
121.02882	37.9
121.03735	5.9
121.06511	9.9
121.10159	11.6
123.08051	6.0
127.02218	5.3
127.50652	3.5
128.06209	13.6
129.07031	25.9
130.07813	4.9
131.04942	9.9
131.08585	19.7
133.06519	13.9
133.10130	29.3
135.08072	13.2
141.06990	13.5
142.07785	15.6
143.08542	34.9
144.09294	4.4
145.06464	17.0
145.10126	48.9
147.08041	18.0
147.11696	12.5
149.05980	4.8
149.09633	6.8
153.06967	9.2
155.08574	18.2
156.09367	7.8
157.06468	5.6
157.10114	48.6
158.07300	7.3
159.08076	13.4
159.11659	26.8
161.09590	17.8
161.13269	12.1
163.07542	4.9
163.11162	22.8
165.07083	5.3
167.08534	19.1
168.09380	12.0
169.06482	4.7
169.10132	21.8
170.10934	4.0
171.08066	12.1
171.11705	14.5
172.08765	3.5
173.09589	22.0
173.13283	9.4
175.11214	5.6
179.08524	12.1
180.09280	6.8
181.10089	22.7
182.10823	6.4
183.08096	7.1
183.11685	29.8
185.09612	13.2
185.13307	23.6
187.11148	26.2
188.11728	3.9
189.12776	3.9
192.09398	4.5
193.10155	12.7
194.10931	9.4
195.08145	8.6
195.11679	14.2
197.09644	8.0
197.13252	11.0
199.11206	9.1
201.12715	8.5
207.11664	11.4
209.13254	24.1
211.11118	19.2
213.12730	10.1
215.08803	7.9
219.11754	5.4
221.09564	5.2
221.13243	6.1
223.11166	6.0
227.14313	13.3
229.12233	10.4
231.11754	4.2
233.09854	7.3
235.11308	3.7
237.12636	16.2
241.10252	3.8
245.06578	3.9
245.15440	4.2
255.13812	40.6
259.11462	6.3
273.14844	82.5
274.15244	7.2
277.12595	8.2
293.15341	10.1
305.12067	8.5
325.12497	3.8
369.15338	8.0
387.15985	12.8
405.05914	5.8
405.17209	11.3
405.22568	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	406.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32383	0.7
84.33025	0.3
104.08064	0.3
167.87018	0.4
212.03206	0.9
213.03999	0.7
231.05089	0.5
232.05812	0.8
262.06033	0.6
302.02820	0.5
302.07993	3.0
316.09433	33.8
317.10205	42.6
318.10727	3.3
346.10529	0.9
406.12598	100.0
407.12888	7.2
425.34927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.2
68.99799	2.4
69.19855	4.5
70.02936	1.2
70.06595	3.1
79.05506	1.1
88.07636	1.4
90.25378	0.9
91.05476	1.8
95.04967	1.6
103.05455	3.4
105.04520	1.3
107.04946	66.9
108.05272	1.9
110.02407	2.2
111.03220	1.0
119.04940	8.9
121.02866	1.5
131.04926	4.8
132.05264	1.0
133.05244	1.1
134.06024	0.9
138.01851	16.4
140.03444	3.3
146.06010	1.6
149.04012	1.0
162.05455	0.9
166.01350	16.9
167.02126	16.6
168.02908	13.6
172.07538	1.0
174.05504	3.2
178.01344	18.1
179.01648	1.2
184.02466	3.1
185.03191	6.5
190.01340	6.9
200.07129	1.1
208.02412	6.7
212.23726	1.3
214.04945	2.1
216.06645	1.0
225.05495	5.0
228.06573	2.4
242.04448	1.2
242.08153	3.2
256.06033	4.1
256.26437	1.4
270.07602	9.6
271.05753	1.3
271.08371	11.9
272.05981	2.5
272.09048	11.6
273.05701	2.0
282.07568	5.5
284.05499	39.6
285.06024	2.4
290.20395	1.0
300.28842	4.3
301.99408	1.0
302.03113	1.5
302.06287	4.8
344.31662	2.0
346.06653	1.2
346.10568	1.1
364.08054	1.0
374.06302	1.5
377.12079	2.3
388.11749	100.0
389.11984	8.2
406.08490	3.3
406.12466	6.3
406.35229	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	406.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00342	0.5
53.20693	0.5
54.03461	0.8
57.07057	1.2
67.01858	1.0
68.99784	2.5
69.77659	1.7
70.02939	0.8
70.06596	2.2
71.24879	0.5
71.61003	0.5
78.53712	0.5
79.05495	1.4
83.03717	2.0
86.09719	0.8
88.07600	0.8
91.05471	0.9
95.04954	2.5
98.02396	0.9
103.05482	2.8
105.03365	0.8
105.04488	0.6
105.07037	0.6
107.04950	62.8
108.05278	1.6
110.02404	2.2
111.03191	4.9
119.04906	2.5
121.02864	2.0
122.06017	2.5
126.01873	0.7
131.04913	6.9
132.04446	0.8
132.10149	0.6
133.05237	1.6
138.00829	1.1
138.01854	18.0
139.02632	2.5
140.03447	0.6
146.05997	2.3
146.11760	1.3
147.17670	0.6
150.05551	2.8
152.03419	1.3
153.01895	0.7
160.07559	0.8
162.01863	0.7
166.01349	19.8
167.02132	35.9
168.02878	3.5
172.07532	0.8
174.05533	2.9
178.01340	17.2
179.01675	0.6
180.02904	5.9
181.03229	0.7
184.02434	5.0
185.03183	14.9
186.03520	1.1
186.05508	1.6
188.07042	0.8
190.01314	3.9
200.07040	1.6
208.02434	4.1
214.04987	2.7
216.06578	1.3
225.05457	9.1
228.06479	3.6
229.07355	0.7
238.04910	0.7
242.04550	1.2
242.05811	0.6
242.08063	5.0
256.06055	4.3
256.26385	1.8
257.08099	2.0
266.04480	1.5
270.00040	1.0
270.07596	18.5
271.08368	15.7
271.11368	0.7
272.09045	2.8
282.07553	4.2
284.05533	42.1
284.08981	3.8
285.05896	2.7
285.09451	1.6
294.07687	1.0
300.28949	3.7
301.99298	0.7
302.06564	2.5
344.31610	1.3
346.10510	1.1
388.11761	100.0
389.12097	9.5
406.05240	0.9
406.07089	0.9
406.12860	14.8
406.35294	11.4
407.13028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
55.01872	12.2
57.03434	5.0
60.60724	2.6
61.02918	6.9
68.99807	4.9
69.03427	29.6
70.06606	2.9
71.04985	4.4
73.02927	7.9
81.03416	32.2
85.02903	100.0
85.03419	4.9
87.00818	33.0
97.02894	35.0
99.04449	15.7
103.03927	3.9
105.01868	29.3
108.04509	6.6
109.02876	62.8
111.04395	2.7
117.01843	3.7
119.04971	3.3
123.04436	6.2
124.73056	2.4
126.05498	4.2
127.03907	66.2
129.01863	4.8
131.04967	3.7
133.02885	6.2
137.05925	3.0
141.05469	18.4
145.04974	29.2
147.02893	6.9
147.04405	12.0
149.05981	4.9
150.93440	2.5
159.02888	21.4
165.05452	15.4
167.07018	24.2
177.05490	7.4
183.06570	3.8
189.03975	8.6
202.07159	2.5
207.06555	10.1
209.08060	4.3
227.09174	17.9
231.04970	8.3
231.06871	5.8
249.07707	12.7
267.91568	2.8
280.62039	2.7
399.03488	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99885	0.8
55.01867	2.5
55.05506	2.0
56.05039	6.7
57.03436	6.1
58.99584	12.2
67.05502	1.8
68.05053	1.0
69.03446	1.4
69.07066	2.0
69.76742	2.3
69.77061	0.8
70.06580	1.4
71.04994	1.0
73.01124	2.1
74.00655	2.4
76.02223	25.4
76.03991	2.1
79.05488	5.2
81.07056	23.7
83.06091	1.3
84.04499	28.9
85.01133	3.9
85.02901	1.4
85.04776	1.0
85.06537	5.0
86.00671	4.5
86.06052	1.3
86.99046	8.6
87.02694	7.1
88.02221	2.0
91.05477	1.2
93.07029	1.3
94.06541	1.2
95.08615	5.9
96.08158	1.2
97.01108	1.1
97.06520	1.1
98.06051	1.1
98.09681	11.8
99.05573	1.4
99.08083	7.0
102.05562	6.2
105.07001	2.1
107.04988	0.9
107.08562	1.6
110.09660	2.0
112.03974	5.5
113.04211	7.2
115.05791	2.1
116.01672	26.1
119.08567	1.1
121.06494	1.0
121.10166	1.7
122.09760	1.1
123.08058	2.3
127.03868	1.2
127.05759	2.0
129.06593	3.1
130.04993	9.2
130.06827	5.9
130.08669	1.2
131.08531	3.7
139.05812	2.0
142.03223	2.7
144.01140	10.6
145.10124	1.1
147.04391	2.8
149.09599	3.5
153.06555	1.3
156.08423	20.3
156.10202	12.7
157.06813	11.0
157.08745	1.1
160.53590	1.0
162.02199	27.9
163.11166	2.2
167.10699	2.3
169.04288	0.9
170.02618	1.5
174.09471	15.7
179.04848	11.4
181.10103	0.9
188.03770	1.0
189.03270	2.0
190.38774	0.8
191.10677	5.1
209.11739	8.3
210.11313	2.8
215.04898	1.3
216.06876	8.1
227.12752	9.2
233.05801	2.2
242.08403	1.6
245.05939	2.0
259.11102	100.0
260.09177	1.6
260.11832	4.0
285.12668	1.0
313.12262	4.8
331.13300	7.1
388.15210	2.9
388.23175	2.6
406.16727	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	406.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
53.19306	2.7
53.41505	2.4
55.01874	9.0
57.03434	6.9
61.02937	7.6
68.99786	2.7
69.03423	37.8
70.09077	7.7
71.04991	4.2
73.02921	9.3
81.03412	31.6
85.02902	99.1
87.00820	29.5
91.03926	3.7
93.15810	2.4
97.02885	34.7
98.22688	3.0
99.04444	12.9
103.03949	6.4
103.05480	3.7
105.01859	25.7
107.04994	4.1
108.04483	4.9
109.02879	53.5
117.01877	7.0
121.06537	8.2
123.04395	5.3
124.26364	3.0
124.41435	2.8
126.05566	5.2
127.03916	58.6
129.01859	5.8
131.04958	6.7
133.02866	3.8
137.05981	7.4
141.05449	17.9
145.04961	32.5
147.02890	5.8
147.04405	4.2
148.05209	2.8
149.05928	12.5
155.06999	5.7
159.02895	20.4
159.04198	3.8
163.04002	3.0
165.05493	12.3
167.07036	100.0
171.02794	3.3
177.05449	38.6
183.06512	4.0
188.53320	2.5
189.03932	10.1
203.07024	2.9
204.64915	3.4
207.06583	10.5
209.08067	21.3
227.09117	67.5
228.09511	3.5
231.04868	4.3
231.06830	3.8
249.07549	10.5
381.58514	2.7
427.44855	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	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.7
67.05513	15.5
69.03417	5.6
70.78076	4.9
71.04990	18.0
76.02217	7.1
78.88940	3.8
79.05498	15.4
81.03400	4.8
81.07052	7.9
83.04988	6.2
84.04522	3.8
85.02900	21.9
85.06538	85.6
91.05485	11.1
92.03008	4.0
93.07056	18.0
97.02900	6.0
99.08094	7.0
102.80477	3.9
105.07021	10.7
107.04983	6.9
107.08583	18.6
111.04427	7.1
117.07023	4.5
119.08596	13.4
121.06503	13.1
121.10163	10.9
125.06015	10.0
131.08563	55.0
145.06563	4.6
145.10118	22.3
149.09612	48.9
153.05579	4.3
163.11205	22.8
165.09102	11.2
167.10687	17.7
173.09625	4.9
191.10640	48.0
209.11694	55.5
227.12744	100.0
259.11142	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	406.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
57.07073	16.8
67.05531	0.7
69.07070	0.9
71.08628	14.0
73.06548	2.0
79.05476	1.0
85.10172	8.9
87.04464	100.0
88.04804	1.2
89.06026	44.6
97.10165	1.4
99.11724	1.4
99.13229	0.6
105.07025	20.2
107.07059	1.7
111.11717	1.3
130.08641	0.8
131.01227	0.8
133.08600	14.9
151.09650	1.8
177.11205	4.0
189.87845	0.7
190.85976	0.7
221.36227	0.6
239.14966	2.8
407.33911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20969	1.1
53.87613	1.2
55.05510	3.0
57.03437	5.2
59.04993	1.5
67.05501	3.7
68.05826	1.1
69.03417	6.4
69.07066	5.1
69.15791	7.6
71.05015	1.8
79.05510	2.3
81.03401	1.4
81.07077	6.4
83.04980	5.6
83.08628	2.3
85.02893	6.4
91.05486	2.7
93.07040	5.9
93.08204	1.1
95.04979	1.8
95.08627	5.9
97.02894	2.4
97.06518	2.2
103.05474	1.7
105.07047	3.3
107.07912	2.3
107.08588	20.6
109.02869	1.7
109.06519	3.1
109.10151	18.5
110.10471	1.2
111.08129	2.3
119.08598	1.7
121.10145	21.2
123.08045	2.5
123.11713	1.4
125.09591	6.8
131.04912	9.6
131.08565	3.9
133.10121	6.2
135.08049	4.8
135.11703	4.9
137.09608	13.9
139.11163	1.8
141.27936	1.2
147.11725	2.9
148.82875	1.2
149.09607	1.4
149.13229	8.5
151.11172	23.0
152.11499	1.3
153.09079	3.4
153.12785	1.2
163.14809	13.7
169.12234	6.0
173.13271	12.7
185.43250	1.2
191.14291	45.9
192.14742	2.1
209.15358	23.7
227.06982	3.5
227.16397	100.0
228.16783	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	23.2
57.07068	9.0
59.90203	5.6
61.02919	8.5
67.05502	17.4
69.03424	23.2
69.07053	19.9
69.52529	25.2
70.06577	9.0
71.04993	9.0
72.05275	5.2
72.08151	15.7
78.73921	5.5
79.05478	22.4
81.03413	12.8
81.07059	17.6
83.08595	8.1
84.04514	13.1
84.08150	27.4
85.02911	42.7
85.06535	9.4
86.06068	5.9
86.09700	9.9
87.04459	13.0
91.05467	89.1
93.07026	25.7
95.04961	11.5
95.08603	20.2
97.02878	16.8
97.06538	6.8
104.06982	6.6
105.06989	30.9
107.08582	95.3
109.06518	11.9
109.10143	21.7
111.08067	8.9
119.04946	7.8
119.08581	24.0
120.08141	5.6
121.06541	7.3
121.10142	77.7
123.08045	13.5
123.11715	11.9
127.03899	16.8
129.10205	16.7
131.08546	27.4
133.09145	9.8
133.10104	83.1
135.08023	12.2
135.11694	46.1
137.09581	10.3
141.09122	7.3
143.08492	8.7
145.04907	6.9
145.10127	15.5
146.13641	6.1
147.04399	31.5
147.11734	15.1
149.13266	19.5
158.10866	18.3
163.14798	84.8
166.08687	6.0
173.13263	99.1
175.14861	10.4
186.09093	5.8
191.14299	55.1
209.15395	24.7
210.97099	5.5
238.21397	6.1
254.06946	5.9
259.11047	10.5
268.08008	8.4
287.05380	7.0
305.06235	16.2
370.12701	7.5
388.23230	16.6
406.09387	10.0
406.17612	100.0
407.13318	26.2
407.18314	11.3
414.12698	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	11.1
55.05490	15.9
56.96550	8.5
67.05499	13.9
69.03413	19.3
69.25708	52.2
70.06575	14.3
71.04977	8.9
79.05484	13.0
81.07048	21.3
84.04468	12.2
84.08129	11.8
85.02907	25.5
86.09700	31.9
87.04460	21.2
91.05500	53.5
93.07052	13.0
95.04942	15.4
95.08601	13.4
97.06514	7.6
98.22677	13.6
98.97562	74.8
104.07041	9.2
105.07040	27.2
107.08570	41.4
109.06521	23.6
116.98622	28.3
119.04964	10.4
121.02837	24.5
121.10169	12.0
123.08064	9.7
124.04025	10.1
128.00708	16.9
131.08493	8.9
133.10120	100.0
134.99599	8.6
137.09584	15.8
147.04379	24.4
148.04774	22.6
149.13293	10.2
158.99655	20.9
173.13243	20.5
177.00748	51.3
179.07001	18.3
180.07349	18.1
191.14301	37.5
203.05890	15.3
209.15340	15.6
221.07040	16.0
245.07008	14.5
250.06702	13.1
259.11005	11.0
305.06320	28.2
343.09155	13.0
370.12753	16.8
388.23300	19.0
389.13034	13.9
406.09772	11.4
406.28110	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
56.05040	1.9
61.33255	1.5
67.05509	1.6
69.03437	4.7
70.06584	2.2
81.03454	2.1
81.07059	5.3
83.04975	4.5
83.08623	4.6
84.08154	2.9
84.34858	1.3
85.02896	4.4
85.06541	1.9
86.06055	3.2
91.05475	15.8
93.07017	1.8
95.08601	3.4
97.02893	2.5
97.06545	3.7
97.68617	1.4
98.06058	3.2
99.48341	1.4
107.08598	4.5
109.06532	5.3
109.10184	3.3
110.74442	1.5
111.08117	1.7
119.04958	3.5
121.10167	5.1
125.09632	1.7
131.08557	3.7
133.10161	5.0
135.63603	1.5
147.04396	12.0
149.09677	2.7
149.13242	2.9
151.11220	5.1
163.14830	3.1
166.08743	2.5
167.10629	1.6
167.14331	6.2
173.13281	4.4
181.04863	2.1
191.14316	4.7
192.07764	1.6
195.37434	1.5
199.07649	5.0
209.11887	2.6
209.15364	19.2
210.15891	2.1
227.12796	2.9
231.76552	1.6
245.08195	38.2
259.11084	4.0
270.75085	1.6
344.20810	1.9
388.23264	6.3
406.17963	1.9
407.13409	100.0
417.94232	1.8
421.66162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25880	1.8
54.40343	2.1
55.23783	1.7
55.93517	2.7
58.92493	1.8
60.51409	1.7
66.39154	2.0
68.94312	4.7
69.11568	13.0
72.93781	37.7
86.95332	3.0
87.83186	1.7
90.94817	18.0
91.05468	2.4
103.05467	3.5
105.03387	2.5
105.06985	2.5
107.15939	2.4
109.96925	4.7
113.96410	14.0
115.05415	4.9
117.07003	1.8
118.31964	1.8
121.01506	1.9
131.04912	6.6
131.97375	3.5
132.95821	10.2
139.05429	2.7
141.06981	2.4
147.04384	2.5
150.96909	6.2
154.09782	2.0
176.99969	7.3
178.97842	2.7
192.92242	2.1
197.00435	3.0
201.05374	1.9
202.97868	2.2
210.93245	24.2
213.00009	6.2
214.20094	1.9
228.94283	100.0
229.94537	3.0
233.94830	31.2
236.71422	2.0
244.98909	6.1
246.95372	36.6
251.95891	60.4
252.70093	1.9
256.95953	1.9
262.99817	2.0
268.98901	8.4
269.96948	22.8
274.97385	3.0
278.82990	2.0
286.99994	4.8
296.98392	26.2
303.04883	4.6
314.63498	1.9
314.99417	42.8
315.99701	4.1
324.97726	2.9
333.00262	10.5
338.01035	46.6
339.01447	3.9
342.98856	52.2
343.99265	4.4
356.02127	99.2
356.96927	5.9
357.02365	7.6
360.99911	26.4
366.00336	32.7
367.00891	3.0
379.03638	8.5
384.01630	6.5
385.02106	3.0
389.19678	4.2
407.11316	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	407.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
55.01865	1.5
57.03440	2.2
58.79826	0.8
61.02913	2.1
61.91667	0.9
65.03941	0.8
68.99805	1.2
69.03427	15.4
69.26038	3.6
69.26442	1.6
70.06595	1.6
71.01337	1.1
71.04982	1.4
73.02914	2.5
76.51160	0.9
78.03442	1.2
79.05502	1.6
79.61100	0.8
81.03414	8.5
84.04507	0.9
85.02898	24.2
86.03262	0.8
87.00825	6.4
97.02888	8.4
99.04449	3.6
101.02413	1.3
103.03955	1.5
104.79023	0.8
105.01866	3.7
105.04546	2.5
107.04951	3.7
108.05280	1.9
109.02876	7.8
111.99535	1.7
113.00301	5.8
114.01093	3.6
121.02860	1.1
123.05567	1.2
125.99851	2.7
126.01071	20.8
126.09185	0.9
127.01853	26.8
127.03908	15.8
129.01842	1.2
130.00571	3.6
131.04980	1.4
140.04739	0.8
141.02139	85.2
142.02998	5.1
143.03758	5.5
144.99266	3.1
145.04959	4.0
147.04420	2.4
151.03922	1.7
158.02182	1.1
159.03201	100.0
160.01698	0.9
160.03572	2.6
160.07591	2.2
181.06654	0.9
187.06061	1.4
191.88951	0.8
195.02933	1.1
196.03276	1.0
202.15216	0.9
213.04031	1.4
227.08572	1.7
231.05057	2.1
246.11307	1.5
258.05829	1.6
259.06537	1.4
259.09064	0.9
320.90778	1.0
321.08472	12.1
389.07550	2.4
407.08563	16.0
408.08679	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	407.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
54.30833	1.1
55.05506	11.0
61.02909	1.2
65.03944	1.4
67.05499	5.4
69.03423	41.9
69.07064	2.2
70.03761	1.2
71.09411	1.2
71.43044	1.4
74.14470	1.3
74.14891	1.2
76.42754	1.0
79.05494	6.0
81.03405	7.2
81.07046	6.9
83.04971	27.3
83.26588	1.1
84.54874	1.3
85.02901	1.4
85.06544	1.3
91.05463	13.0
93.07032	9.3
95.04967	4.3
95.08602	5.4
97.06531	3.3
99.04456	2.1
105.07020	14.5
107.08598	9.1
109.06519	3.5
111.04436	100.0
113.05999	5.4
115.05490	1.8
117.07018	11.0
119.04920	1.8
119.08568	10.2
121.06527	2.5
121.10136	3.4
128.06223	3.1
129.05493	7.2
129.06992	6.5
130.07755	2.0
131.08571	18.6
133.06476	2.1
133.10132	4.2
135.08061	2.4
135.11647	1.3
137.05995	1.9
139.53014	1.1
141.06990	4.1
142.07764	3.0
143.08574	11.4
144.09312	2.5
145.06483	2.0
145.10104	22.2
147.08043	3.0
147.11696	2.8
149.06032	2.2
153.07074	2.3
154.07802	2.5
155.08534	8.2
156.09328	4.7
157.10161	9.9
158.10899	3.1
159.08076	3.1
159.11702	4.3
161.09644	4.9
161.13254	1.8
163.11171	2.1
163.14763	1.7
165.07008	3.4
166.07768	1.6
167.08589	4.7
168.09322	3.0
169.10127	5.7
171.11673	7.3
173.09598	3.0
173.13257	38.8
175.11143	1.5
178.07893	1.4
179.03445	2.1
179.08560	3.7
180.09378	1.6
181.10136	6.6
182.10960	2.8
183.08060	1.8
183.11644	6.3
185.13347	1.4
187.11205	2.2
189.12711	15.5
191.08614	2.1
191.10692	7.0
191.14294	3.8
192.09352	3.0
193.10155	4.0
195.11702	3.9
197.09584	2.4
197.13303	3.5
201.12755	9.5
206.10974	2.9
207.11647	2.5
208.12482	1.6
209.13225	3.1
217.10355	1.6
217.12282	2.6
219.11819	2.2
219.13773	13.0
221.13252	7.8
223.14769	1.5
225.12825	2.0
239.14342	2.4
241.08061	1.2
243.13791	2.0
265.15836	1.7
267.13690	2.2
283.16931	2.3
283.51440	1.3
285.14902	1.8
287.01938	2.2
293.15567	1.5
305.05969	1.6
311.16397	4.1
329.17374	7.4
347.18405	3.6
389.19568	22.4
406.30246	2.6
407.11536	10.0
407.20261	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14049	0.5
57.07073	1.0
69.23543	0.5
69.86135	1.7
70.06581	2.2
86.09682	0.6
88.07650	0.7
95.08621	0.5
98.23359	0.7
111.04456	1.2
113.00014	11.3
127.01562	100.0
128.01920	0.6
147.86649	0.5
217.57701	0.5
220.99760	2.2
246.90649	0.5
256.26337	1.9
285.52127	0.5
294.99661	1.2
300.28955	2.1
301.29257	0.5
344.31610	1.1
406.35269	8.8
407.24066	3.8
407.35318	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	3.0
57.74580	0.5
58.06589	0.8
69.22648	2.8
70.06243	0.6
70.06596	8.5
71.08627	0.9
72.08162	1.9
81.43015	0.4
84.08141	0.9
86.09708	2.2
88.07626	1.3
89.06039	0.8
105.06967	0.5
109.82573	0.5
111.04423	0.9
113.00010	9.7
114.09166	1.5
124.03925	0.5
127.01560	100.0
128.01901	0.8
132.10201	3.9
145.10054	0.6
146.11766	4.2
147.12082	0.4
158.49042	0.4
174.58113	0.4
176.12766	0.6
190.14473	1.1
206.98212	1.8
212.23808	1.1
220.99750	2.1
238.25340	0.6
256.26486	0.8
294.99750	1.7
300.28949	14.7
300.32251	1.1
301.29343	4.4
344.31531	5.5
345.31931	1.5
406.35251	35.5
407.24158	6.0
407.28918	0.7
407.29984	0.8
407.35602	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	407.1523
Annotation	Pamapimod
Peak:m/z	Relative Intensity
62.20111	0.6
69.66871	2.7
70.06589	19.8
72.08143	0.9
84.04502	1.3
84.08150	3.2
86.09727	0.8
98.06048	6.8
98.23457	1.1
98.97601	0.9
101.40113	0.6
102.81390	0.8
116.07090	2.2
116.98666	0.8
120.08089	1.0
126.05506	4.6
142.64290	0.7
147.04367	0.9
148.31102	0.7
195.11337	1.4
213.12321	9.0
246.43596	0.7
256.06998	0.9
310.17575	3.4
321.10745	0.9
407.15192	100.0
407.22583	4.0
408.15598	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	407.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.2
61.16881	1.1
63.00044	1.4
65.03940	1.5
65.28992	1.0
67.05503	7.9
69.03428	31.3
69.07064	1.3
69.21465	3.4
69.21894	3.4
79.05482	5.5
81.03416	5.7
81.07053	6.9
83.04977	22.1
83.05442	2.0
83.08629	1.2
89.06035	2.4
90.85602	0.9
91.05461	11.7
91.05879	1.1
93.07053	6.1
95.04971	3.8
95.08604	4.6
97.02889	1.3
97.06512	2.1
99.26183	1.1
103.05486	1.3
105.07011	13.2
107.08595	5.1
108.08923	1.4
109.02947	1.4
109.06536	2.2
111.04439	100.0
112.04745	2.5
113.06031	5.7
115.05482	1.1
117.07014	11.9
119.08575	11.2
120.08133	1.0
121.06517	1.7
121.10168	2.4
123.08096	2.3
127.07571	1.2
128.06221	3.5
129.05482	10.0
129.07036	4.5
130.07846	1.9
131.08557	24.6
133.06535	1.4
133.08617	1.9
133.10138	2.8
135.08044	1.8
137.06017	1.2
137.09584	1.4
141.07027	3.8
142.07800	3.8
143.08554	10.2
144.09322	1.5
145.06494	2.6
145.10117	20.2
146.10446	1.1
147.11674	1.9
149.09621	1.8
149.13289	1.4
153.06964	2.2
155.08542	6.4
156.09285	3.5
157.10126	8.5
158.10861	3.3
159.08086	2.6
159.11713	5.7
161.09625	2.5
161.13330	2.1
161.14719	0.9
163.07658	1.2
163.11205	2.8
163.14798	1.3
165.07042	2.4
166.07780	1.9
167.08583	3.8
168.09378	3.1
169.10091	7.7
171.11681	8.5
173.09677	4.4
173.13249	48.3
174.13620	1.8
175.11182	1.6
179.08580	3.1
180.09334	1.2
181.10065	6.3
182.10844	1.4
183.08104	1.7
183.11655	6.8
185.09592	1.7
185.13300	2.0
187.11209	1.4
189.12744	15.4
190.13167	1.1
191.08888	1.6
191.10661	8.9
191.14320	3.7
192.09380	1.7
193.10133	4.4
194.10852	1.6
195.11713	4.2
197.13277	4.6
199.11185	2.9
201.12740	10.4
206.10936	1.7
207.11600	2.7
208.12369	1.1
209.09634	1.7
209.13223	3.3
211.11166	1.2
211.14862	2.0
215.10771	1.1
215.14751	1.2
217.10262	1.3
217.12132	2.2
219.11794	1.6
219.13773	16.1
221.13245	6.7
223.11165	1.8
223.14792	2.1
225.12628	1.0
231.11641	1.5
232.12424	1.1
237.16483	1.1
239.14389	3.1
241.12367	1.1
247.15060	1.5
250.62529	1.4
255.17491	1.2
265.15845	4.4
267.13763	1.9
280.73792	1.1
283.16974	4.2
289.05362	3.0
301.18024	1.9
311.16443	8.7
329.17422	12.8
347.18622	2.8
389.19629	4.0
407.20566	18.9
408.20776	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	407.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79024	1.6
53.03964	3.3
55.01875	2.1
55.05508	8.9
60.33322	1.8
62.53415	1.6
65.03957	2.6
66.63226	1.8
67.05509	7.9
68.64103	1.8
69.03429	39.2
69.07062	2.2
69.28795	6.4
69.29194	3.4
79.05490	6.7
81.03402	10.4
81.07062	10.0
83.04980	25.6
90.04184	1.5
91.05482	15.4
93.07041	6.9
95.04978	5.2
95.08610	6.1
97.06539	3.7
97.70488	1.8
99.04465	2.1
105.07018	16.7
107.04899	2.1
107.08615	7.4
109.02884	2.3
109.06507	2.7
111.04444	100.0
113.06021	6.3
115.05486	2.9
117.07004	15.4
119.08589	12.2
121.06538	2.8
121.10185	3.0
123.08089	2.6
128.06213	4.4
129.05504	8.6
129.06985	8.6
130.07761	3.9
131.04933	2.1
131.08563	28.3
133.06505	3.7
133.10121	4.5
135.08032	2.3
141.07013	4.3
142.07788	2.3
143.08549	14.1
145.06520	3.2
145.10139	25.3
149.13306	2.1
153.06929	2.0
155.08609	9.2
155.09836	1.8
156.09352	4.0
157.10126	10.8
158.10777	2.0
159.08005	3.6
159.11681	6.3
161.09550	4.0
163.11177	3.1
165.07011	4.0
166.07784	2.0
167.08614	5.2
168.09279	4.3
169.10120	9.8
171.11662	11.8
173.09615	3.9
173.13258	51.5
174.13589	2.1
175.11183	2.1
178.07816	1.7
179.08601	4.9
181.10100	8.6
183.11662	8.4
185.13274	2.7
189.09007	2.1
189.12776	14.6
191.10643	9.4
193.10136	5.9
195.11693	9.0
197.09584	2.5
197.13277	4.8
199.11185	2.1
201.12720	8.4
206.10828	4.3
207.11676	4.1
209.13261	4.2
211.14807	3.2
217.10316	1.9
217.12239	3.2
219.13818	17.1
220.14217	3.2
221.13269	6.7
231.11697	2.3
237.12907	2.6
237.16495	2.0
239.14262	3.6
243.13983	2.9
249.12581	2.4
265.15717	2.8
267.13791	4.0
283.17001	5.7
293.15286	3.9
297.18542	2.2
301.17838	2.4
311.16348	10.1
329.17477	12.2
346.16501	4.2
347.18448	3.6
372.30829	1.8
389.19577	3.4
407.20883	23.9
417.60043	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	407.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.1
57.03430	4.7
59.00389	4.3
67.05503	22.9
69.03417	67.4
69.07054	11.6
70.80858	6.9
79.05502	18.6
81.03415	78.8
81.07048	26.0
83.04978	75.7
87.36239	4.6
90.74918	5.8
91.05460	50.9
93.07029	40.1
95.04955	35.7
95.08601	25.3
97.02945	6.3
97.06548	5.4
105.07009	53.2
107.04913	11.5
107.08575	25.4
109.02882	14.6
109.06502	19.4
111.04427	100.0
113.06010	7.7
115.05492	6.5
116.54665	4.7
117.07006	36.5
119.04920	5.7
119.08564	47.2
121.06488	16.6
121.10120	10.4
123.08028	8.8
128.06186	7.5
129.06993	20.9
130.07843	7.1
131.04912	9.5
131.08542	64.9
133.06456	7.4
133.10110	22.7
135.08032	10.9
135.11594	5.0
141.06970	11.4
142.07790	14.5
142.13733	4.4
143.08540	28.9
144.09317	6.5
145.06497	14.1
145.10107	62.5
147.08040	16.5
147.11696	20.8
149.09619	9.8
153.07037	5.9
154.07715	5.8
155.08476	30.7
156.09329	10.7
157.06471	7.0
157.10089	41.9
158.10918	4.7
159.08058	14.1
159.11679	39.4
161.09615	13.8
161.13257	17.1
163.11165	27.8
163.14851	7.5
165.07018	13.2
165.09024	6.6
167.08606	11.3
168.09354	13.9
169.10112	18.6
171.08115	6.9
171.11682	25.0
173.09619	16.2
173.13254	79.5
175.11214	8.9
175.14836	5.3
179.08630	12.7
180.09406	9.4
181.10150	17.0
182.10828	5.5
183.08102	10.0
183.11641	29.0
185.09660	9.5
185.13295	14.2
187.11160	11.5
189.12758	18.9
191.10628	12.5
191.14258	30.0
192.14622	4.5
193.10117	7.1
195.11664	13.7
197.13211	6.5
199.11145	11.8
199.14720	5.4
201.12692	36.9
203.14253	10.2
205.10213	4.8
206.10829	7.3
209.09427	6.7
209.13200	11.4
211.11142	15.3
213.12766	6.6
215.10683	7.1
219.13741	57.4
221.13356	8.3
227.14290	14.4
229.12241	14.4
237.12756	11.3
241.12285	10.9
247.13145	10.3
249.12663	6.9
251.14348	5.1
255.13786	23.4
265.15799	15.8
273.14877	35.9
283.16888	14.0
291.16000	8.4
293.15393	15.9
311.16479	28.6
311.19604	5.0
329.17432	42.2
347.18378	30.8
371.18597	7.7
378.29843	5.0
389.19623	8.5
407.20523	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	407.2061
Annotation	Longikaurin B
Peak:m/z	Relative Intensity
51.98566	1.2
55.01854	1.2
55.05509	8.4
65.03929	1.8
67.05493	4.2
69.03426	34.2
69.07061	2.8
72.93786	2.8
75.31335	1.1
78.03444	1.6
79.05492	6.3
81.03412	8.2
81.07058	6.8
83.04971	24.2
85.02911	1.1
91.05466	14.6
93.07021	7.4
93.79723	1.1
95.04975	4.0
95.08607	4.2
103.05414	1.7
105.03387	1.5
105.07030	14.1
106.02918	2.3
107.08597	6.3
109.06515	2.1
111.04433	100.0
112.04783	2.6
113.05990	5.8
115.05455	2.5
117.07016	10.0
119.08570	8.8
121.06448	1.7
121.10130	1.4
123.04382	1.7
123.08064	2.0
124.03945	4.5
125.05939	1.5
127.07524	1.7
128.06198	2.4
129.05470	8.6
129.06944	5.6
130.07787	1.4
131.04898	2.0
131.08551	21.3
133.06493	3.3
133.10120	3.4
133.51631	1.1
135.08044	2.2
135.11688	1.8
137.05940	1.5
141.06979	3.4
142.07764	2.4
143.08533	9.4
144.09277	2.3
145.06470	3.8
145.10112	18.9
147.08086	2.4
147.11653	1.9
149.09601	1.9
153.06947	1.9
155.08569	6.9
156.09309	2.8
157.06549	1.3
157.10092	9.1
158.10893	1.4
159.11613	5.4
161.05974	1.3
161.09666	1.8
161.13234	3.2
163.11203	2.6
163.14764	1.6
165.06979	2.4
165.09137	1.4
166.07799	1.8
167.08551	4.3
168.09352	3.2
169.10098	6.3
171.08066	2.6
171.11667	5.9
173.09576	3.6
173.13239	42.3
174.13667	2.0
175.11145	1.7
177.05423	2.0
178.07701	1.4
179.08543	3.2
180.09254	1.7
181.10101	4.7
183.08040	1.6
183.11685	4.4
185.13327	1.6
189.12733	11.5
191.08720	1.7
191.10663	8.0
191.14325	2.4
193.10109	4.8
195.08020	1.7
195.11682	5.8
197.09644	1.7
197.13275	3.7
199.11145	2.6
201.12755	11.2
205.04869	2.1
205.10123	1.7
206.10915	3.9
207.11607	3.3
209.09583	2.0
209.13223	2.8
210.93283	1.5
211.11188	1.7
211.14784	2.7
217.04910	2.1
217.10245	1.4
217.12250	2.5
219.11815	2.3
219.13771	16.4
221.04456	1.3
221.13185	5.3
223.11264	1.7
228.94440	6.5
232.12411	1.5
233.94832	2.5
235.06059	1.4
239.14275	1.7
246.95381	2.0
249.12582	1.4
251.95799	5.5
255.17398	1.3
265.15939	3.2
267.13770	2.1
283.16934	4.1
293.15372	2.4
296.98517	1.5
303.04984	7.8
311.16373	4.6
314.99353	1.8
329.17355	8.3
335.72861	1.3
338.00934	3.8
342.98911	4.2
347.18500	2.3
356.01990	7.1
361.00092	2.2
366.00394	2.5
386.40317	1.1
389.19516	3.8
407.11420	6.9
407.20438	16.5
408.21393	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01844	1.2
55.05505	8.6
55.65845	1.5
65.03930	2.5
67.05511	7.7
69.03427	36.4
69.07055	1.7
70.01262	3.9
78.33746	1.5
78.50346	1.3
79.05476	7.4
79.20715	1.2
81.03412	6.6
81.07048	7.1
83.04977	26.9
83.05445	2.3
86.70177	1.2
91.05469	15.5
92.21683	1.4
93.07016	7.4
95.04959	6.1
95.08605	4.2
105.07030	18.0
107.05000	1.4
107.08593	7.2
109.06595	1.5
111.04438	100.0
112.04792	2.0
113.06023	6.1
115.05427	1.4
117.07023	13.5
119.08578	13.1
121.06522	1.9
121.10145	2.7
127.03936	1.4
128.06235	3.9
129.05476	10.4
129.06998	5.5
130.07799	2.2
131.08559	26.2
131.09471	2.5
133.06473	2.2
133.10133	5.9
135.08055	2.5
135.11696	3.7
140.09163	1.3
141.06990	2.8
142.07776	4.3
143.08537	14.3
144.09296	2.0
145.06543	1.7
145.10114	21.9
147.08052	4.4
147.11665	2.2
147.82861	1.4
149.09637	1.9
149.13268	1.9
153.06929	1.7
154.07800	1.7
155.08549	8.1
156.09337	4.2
157.10152	10.0
158.10902	1.5
159.08047	2.5
159.11702	4.7
161.09613	2.2
161.13312	2.2
163.11275	3.4
163.14835	1.4
165.07011	2.5
166.07764	2.1
167.08568	5.9
168.09280	2.5
169.10117	9.4
171.11661	10.4
173.09653	4.1
173.13257	42.5
174.13608	2.5
175.11201	1.9
179.08612	3.1
180.09288	2.5
180.82010	1.4
181.10110	6.7
182.10889	3.0
182.49269	1.7
183.08255	1.8
183.11710	7.2
185.09764	1.3
185.13239	2.0
187.11159	1.6
189.12761	10.5
191.08865	2.5
191.10652	11.6
191.14342	3.3
192.09422	2.1
193.10161	5.4
195.11653	6.4
197.09665	2.1
197.13228	5.0
199.11125	3.4
201.12761	10.3
202.12985	1.4
205.10120	1.6
206.10887	3.9
207.11702	3.8
209.09521	3.0
209.13268	4.3
211.14772	2.3
213.12595	1.7
215.14354	1.7
217.12170	3.4
219.11852	2.4
219.13773	16.1
221.13217	9.4
223.11232	2.3
225.12746	2.1
230.65582	1.4
235.10963	1.7
237.12828	1.7
237.16316	2.3
239.14325	3.3
243.13829	1.6
247.14946	2.5
265.15878	4.2
267.13898	3.3
283.16931	5.6
285.14728	1.9
311.16418	12.4
312.16449	1.7
329.17468	12.4
347.18503	4.2
389.19513	4.8
407.20596	18.7
408.20761	3.2
408.43265	1.5
430.30511	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	407.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01859	1.7
55.05296	0.7
55.05506	8.5
56.16000	0.6
57.01787	0.6
57.03432	0.9
65.03938	2.0
67.05495	4.9
69.03426	34.9
69.07053	2.7
69.29190	3.6
71.04975	0.9
79.05488	7.0
81.03410	5.9
81.07058	5.2
83.04976	25.2
83.08611	0.6
83.68690	0.6
85.02908	0.8
89.87371	0.8
91.05474	13.4
93.07032	8.4
95.04981	3.9
95.08600	4.2
97.06515	1.4
99.04456	2.0
103.05475	1.3
105.07011	13.2
105.29428	0.7
107.04984	0.9
107.08614	5.0
109.02888	1.6
109.06524	2.1
109.10114	0.9
111.04432	100.0
112.04771	1.5
113.05987	4.8
115.05457	2.6
116.06242	1.0
117.06261	1.2
117.07012	10.6
119.08569	10.9
121.06489	2.2
121.10134	2.4
123.08059	1.9
127.03925	1.2
127.20994	0.8
128.06230	2.6
129.05470	8.6
129.06970	5.9
130.07759	2.0
131.04884	1.4
131.08554	23.9
133.06470	2.2
133.10139	3.5
135.08031	2.0
135.11668	2.0
139.63019	0.7
141.06969	3.1
142.07780	3.3
143.08557	11.1
144.09225	1.0
145.06461	2.0
145.10110	19.7
147.04468	0.9
147.08049	1.8
147.11668	1.3
149.05913	1.0
149.09618	2.3
149.13232	1.3
153.06953	2.3
154.07822	0.9
155.05971	0.7
155.08514	8.5
156.09328	2.7
157.10112	7.8
158.10968	3.2
159.08066	2.4
159.11693	4.3
161.06044	0.7
161.09608	3.0
161.13187	1.6
163.11166	2.3
163.14824	1.2
165.07033	3.3
166.07739	2.0
167.08601	3.8
167.10739	1.0
168.09288	2.5
169.10110	5.8
171.08069	1.7
171.11670	8.4
173.09613	2.4
173.13245	39.8
174.13626	2.6
175.11230	1.4
175.14690	0.8
178.07704	2.1
179.08540	2.6
180.09302	2.5
181.10062	5.0
182.10876	1.7
183.08054	1.3
183.11647	5.4
185.09642	2.0
185.13234	1.9
187.11180	1.9
189.09087	1.0
189.12741	13.1
191.08810	1.4
191.10674	7.1
191.14330	2.3
192.09250	1.3
193.10139	4.3
194.10844	1.4
195.11674	4.9
197.09734	1.1
197.13225	3.6
199.11201	2.1
201.12720	7.5
205.10118	1.1
206.10861	4.9
207.06529	1.7
207.11697	2.0
208.12386	0.8
209.09514	1.1
209.13228	2.6
211.11151	0.8
211.14845	1.5
213.12708	1.1
215.10794	0.9
217.12238	3.1
219.11806	1.3
219.13773	14.2
220.14195	1.6
221.13211	6.9
223.11163	1.2
223.14835	1.5
225.12775	1.3
227.10861	0.8
232.12585	1.5
237.16411	1.3
239.14314	2.4
241.12424	0.9
243.13701	1.2
247.15009	1.4
249.12656	1.0
255.13657	1.0
255.17455	1.2
257.15466	0.9
265.15997	4.6
267.13882	1.5
283.16861	3.7
284.17203	0.8
293.15384	1.4
301.17749	0.9
311.16422	5.5
329.17450	8.5
347.18375	3.6
389.19522	2.0
407.20624	14.5
408.21133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.33718	1.5
55.01884	2.5
55.05511	9.3
65.03937	1.9
67.05503	6.7
69.03429	42.1
69.07063	3.0
69.08401	10.1
79.05499	5.2
81.03423	4.4
81.07050	9.0
83.04978	26.2
91.05473	15.5
93.07034	9.2
95.04968	4.7
95.08615	5.7
97.06535	3.2
99.04420	1.3
105.07019	14.8
107.04943	1.3
107.08598	6.9
109.06541	2.7
111.04443	100.0
112.04762	1.9
113.05994	6.6
115.05470	1.4
117.07020	15.1
119.04922	1.9
119.08578	14.6
121.06535	2.0
121.10148	2.9
127.07491	1.3
128.06226	3.3
129.05481	8.5
129.07008	7.9
130.07875	2.4
131.08565	25.5
133.06491	3.2
133.10127	4.6
135.08061	3.3
135.11728	2.2
141.06969	4.4
142.07808	4.3
143.08580	11.1
144.09314	1.9
145.06540	2.7
145.10124	22.4
147.04431	1.8
147.08105	4.8
147.11707	2.2
149.13231	1.5
153.07019	2.6
155.08575	10.8
156.09340	4.4
157.10139	11.2
158.10849	2.9
159.08067	2.4
159.11670	4.8
161.09622	2.9
163.11182	3.4
163.14740	1.8
165.06998	4.5
166.07709	2.8
167.08572	2.6
168.09346	4.2
169.10130	7.1
171.08025	1.8
171.11682	11.6
173.09608	6.8
173.13258	41.6
174.13647	1.7
175.11244	2.5
178.07724	1.7
179.08554	2.5
180.09279	3.0
181.10063	8.7
182.10901	2.1
183.11630	6.8
185.13329	1.9
187.11150	2.3
189.12737	13.6
191.08856	3.0
191.10686	10.9
191.14294	4.1
192.09300	2.6
193.10153	3.9
194.10777	1.6
195.11729	5.3
197.13335	3.3
199.11165	3.0
201.12762	10.2
205.10114	2.4
206.10925	3.7
207.11688	4.0
209.13309	3.4
211.14711	2.4
217.10304	1.6
217.12230	2.5
219.13762	19.5
221.13251	8.9
223.14708	1.9
225.12729	1.6
239.14299	3.8
243.13948	2.6
245.07861	29.9
247.14854	2.2
249.12790	1.8
249.15141	1.9
265.15869	4.4
267.13696	2.3
281.15393	2.4
283.16864	5.9
287.01950	3.8
293.15445	2.5
311.16611	8.2
320.37973	1.7
329.17532	14.9
347.18512	3.5
378.81009	1.5
389.19595	3.4
407.07806	2.7
407.12982	8.6
407.20657	24.5
408.20456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10063	0.7
53.03950	1.2
55.05510	8.2
57.03430	1.1
65.03938	1.4
65.41548	0.7
67.05510	5.8
69.03423	35.5
69.07051	2.1
69.51879	2.0
69.52266	1.6
71.04990	1.2
79.05469	5.5
81.03415	6.7
81.07049	6.5
83.04970	23.9
83.05435	1.5
85.02892	1.2
85.70399	0.9
91.05474	12.5
93.07049	5.9
94.83447	0.8
95.04958	4.0
95.08601	4.2
96.04485	2.5
97.06519	1.4
98.23415	1.5
103.05457	1.7
105.07018	14.0
107.04931	1.3
107.08581	5.0
109.06505	1.8
109.51237	0.8
110.04341	0.8
111.04433	100.0
111.08070	1.4
112.04800	2.2
113.06017	6.2
115.05488	1.1
117.06985	9.6
119.04965	1.0
119.08570	11.0
121.06519	2.9
121.10139	2.1
123.08033	1.5
128.06230	3.1
129.05481	8.0
129.06961	5.5
130.07790	2.5
131.08554	21.5
133.06509	2.8
133.10110	3.2
135.08037	1.6
135.11691	1.4
141.07004	2.6
142.07797	2.7
143.08539	10.4
144.09059	0.9
145.06491	2.1
145.10112	19.8
146.32381	0.8
147.08038	2.3
147.11658	1.1
149.09618	1.1
149.13243	1.5
151.07587	1.0
153.06978	2.4
154.07819	1.1
155.08528	7.8
156.09320	3.9
157.10129	8.9
158.10869	2.8
159.08060	3.0
159.11647	4.3
161.09602	2.5
161.13200	1.5
163.11177	3.6
163.14813	2.1
165.07040	2.5
165.09131	1.2
166.07823	1.2
167.08537	4.0
168.09357	2.4
169.10110	5.1
171.08012	1.6
171.11650	8.2
173.09758	4.4
173.13248	46.5
174.13635	1.9
175.11151	1.6
179.08563	2.6
180.09315	1.6
181.10075	5.2
182.10887	2.0
183.08032	1.2
183.11674	6.1
185.09624	1.6
185.13307	1.1
187.11281	1.6
189.12744	12.7
191.08911	1.4
191.10649	8.3
191.14305	4.2
192.09314	2.0
193.10159	3.0
195.11697	5.1
197.09578	1.7
197.13184	3.9
199.11166	2.2
201.12729	10.1
204.24168	0.9
206.10963	2.8
207.11661	2.8
208.12440	1.1
209.13239	2.6
211.11220	1.3
211.14854	1.5
215.14244	1.1
217.12215	2.2
218.10909	1.4
219.13763	16.5
219.15755	1.1
221.13220	5.7
223.11174	1.0
223.14983	1.5
225.12721	1.7
232.12479	1.4
237.12708	1.3
237.16472	1.8
239.14305	2.5
247.14876	1.7
253.34985	0.8
255.17677	1.2
259.71588	0.8
259.74304	0.9
261.14722	1.1
265.15909	3.7
267.13794	2.0
279.15915	1.0
283.16910	3.5
293.15338	1.7
311.16461	6.3
329.17490	7.3
330.17636	0.9
347.18491	2.3
389.19604	2.8
407.11255	3.8
407.20532	14.2
408.20898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48415	0.4
53.03937	0.8
55.01862	1.2
55.05252	0.6
55.05503	8.4
57.03437	0.6
57.07067	0.7
65.03925	1.9
67.05492	5.5
69.03422	36.8
69.07066	2.7
69.27959	1.3
69.28364	0.9
71.04982	1.1
77.03916	0.8
79.05491	5.7
81.03409	5.7
81.07051	6.4
83.04973	24.4
83.08623	0.6
85.02931	0.6
85.06529	1.0
85.32766	0.4
91.05468	13.6
91.40775	0.4
91.59222	0.4
92.05803	0.5
92.11718	0.3
93.07027	6.9
95.04959	4.0
95.08590	4.8
97.02873	0.6
97.06515	1.9
99.04434	1.2
103.05441	1.4
105.04554	0.7
105.07023	14.6
106.07359	0.8
107.04950	1.6
107.08585	6.4
109.02876	1.1
109.06477	2.1
109.10155	1.0
111.04430	100.0
112.04760	1.8
113.06000	5.8
115.05446	1.8
116.06206	0.8
117.06999	9.1
119.04907	1.2
119.08569	11.6
121.06491	1.7
121.10108	2.3
123.08057	1.5
127.03898	1.2
127.07556	0.4
128.06197	3.2
129.04546	0.8
129.05481	8.8
129.06989	6.2
130.07780	2.5
131.04909	0.6
131.08556	24.0
132.08940	0.5
133.06471	2.9
133.10129	3.6
135.08032	2.1
135.11671	1.5
137.05988	0.8
137.09605	0.4
139.07521	0.6
141.06943	3.0
142.07767	3.8
143.08546	11.1
144.09328	1.3
145.06473	2.1
145.10114	17.5
146.10402	1.0
147.08018	3.2
147.11674	1.7
149.09615	1.7
149.13208	2.0
151.07484	0.6
153.06992	2.4
154.07773	0.9
155.08530	7.6
156.09328	3.5
157.06439	0.4
157.10098	8.5
158.07323	0.8
158.10895	2.9
159.08064	2.3
159.11673	5.0
161.05910	0.8
161.09587	2.4
161.13258	1.8
163.07512	0.7
163.11171	2.8
163.14806	2.0
165.07013	2.4
165.09120	1.1
166.07809	1.4
167.08524	4.2
167.10588	0.4
168.09317	2.8
169.06502	0.5
169.10103	7.1
171.08011	1.0
171.11665	7.1
173.09688	4.0
173.13237	41.0
174.10271	0.4
174.13591	1.7
175.07458	0.6
175.11163	2.2
176.69995	0.4
177.09122	0.6
178.07764	1.3
179.08502	3.4
180.09319	2.0
181.06406	0.9
181.10097	4.8
182.10861	1.6
183.08031	0.8
183.11679	6.2
185.09653	1.5
185.13228	1.6
187.11176	1.8
189.09177	0.7
189.12717	13.7
191.08647	1.2
191.10638	7.5
191.14288	2.5
192.09299	2.6
192.10777	0.4
193.10088	3.6
194.10831	1.8
195.07968	0.6
195.11668	5.4
196.08665	0.5
196.12497	0.9
197.09453	0.9
197.13232	3.1
199.11188	1.9
199.14867	1.0
201.12718	8.8
202.13138	0.5
203.08591	0.6
205.10080	1.0
206.10889	3.7
207.11700	3.0
208.12544	0.6
209.09671	0.7
209.13225	2.7
210.10507	0.4
211.11145	1.6
211.14822	2.2
213.09041	0.8
213.12755	1.3
215.10701	0.5
215.14221	0.7
216.09476	0.7
217.10075	1.2
217.12268	2.4
218.10896	0.7
219.11765	1.1
219.13757	15.5
220.12332	0.5
220.14302	0.6
221.13211	6.7
222.13742	1.1
223.11197	1.1
223.14790	1.6
225.12788	1.6
227.14310	0.9
229.12126	0.6
232.12625	0.9
235.15010	0.7
237.12721	1.2
237.16397	1.3
239.14291	2.7
241.12131	0.5
242.11006	0.6
243.13828	1.2
247.14838	1.2
249.12617	0.8
249.14920	0.7
251.14238	0.7
253.15939	0.6
255.13667	0.6
255.17514	0.9
257.15421	0.7
261.14944	1.1
263.14398	0.5
265.15829	4.0
267.13809	1.9
271.13287	0.5
279.06323	1.1
279.15933	1.0
283.16840	3.1
285.14865	1.0
287.01935	0.8
287.09653	0.4
290.01907	0.5
293.15372	1.4
299.16345	0.6
301.17993	1.3
311.16330	6.5
312.16745	0.5
329.17422	7.4
342.73651	0.4
347.18420	3.0
389.19446	2.7
407.12088	0.6
407.20505	12.0
407.29681	0.7
408.20920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2063
Annotation	isoadenolin A
Peak:m/z	Relative Intensity
55.30401	0.5
67.05487	0.8
69.03429	1.7
69.84887	1.7
79.05472	0.9
83.04988	0.8
89.09660	0.5
91.05498	1.4
95.04961	0.9
95.08605	1.3
103.05488	0.8
105.07009	0.9
107.08579	0.8
109.02900	0.8
109.10126	0.7
111.04443	1.1
117.06990	0.9
119.08600	0.8
119.78168	0.7
121.10110	1.3
123.11710	1.6
127.07500	0.5
131.04907	2.9
143.08531	0.8
145.10191	0.7
147.00710	0.7
158.76930	0.7
165.05460	0.9
173.09637	0.8
177.05466	2.0
179.03374	10.8
185.09724	0.6
186.66922	0.5
189.05449	0.7
189.09138	0.7
191.06999	0.6
193.04959	6.2
197.04428	0.6
197.09589	1.1
199.07538	1.1
201.09036	0.6
203.07095	0.9
205.04984	2.3
205.08580	0.6
207.06508	1.5
213.09143	1.1
215.04860	0.5
215.07040	1.1
217.08672	2.3
221.07938	0.9
225.09097	2.3
227.10658	1.0
228.94324	0.7
229.08568	0.8
231.06702	0.7
231.10139	0.8
233.08095	4.8
235.09570	0.9
243.10222	3.3
244.10753	0.8
245.08125	1.0
251.96101	0.8
257.11575	0.6
259.01907	0.7
259.09610	0.8
271.03455	0.9
276.04980	0.9
283.05984	1.3
292.09836	0.6
293.15570	0.8
301.14221	1.0
303.05222	0.6
304.04517	0.6
314.15125	0.9
324.97949	1.2
329.17459	3.3
342.98923	9.1
343.98920	0.7
356.96829	2.2
361.00082	6.4
361.16296	3.2
362.00394	0.7
366.00674	4.1
367.00681	0.7
375.09940	0.9
389.19562	100.0
390.19968	10.1
407.12079	1.1
407.20828	2.8
408.10590	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01637	0.7
67.38271	0.7
69.03422	0.8
74.33379	0.8
81.07068	1.1
92.01166	0.7
102.76211	0.7
107.08586	1.0
111.04472	1.6
119.08669	0.8
124.03953	1.9
137.89780	0.8
145.10109	1.5
153.14240	0.8
154.60170	0.7
169.10196	1.0
185.13280	0.8
195.11731	1.0
343.29657	0.7
354.02664	0.8
407.24030	100.0
408.24466	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
67.05499	0.5
69.03413	1.3
69.45951	0.4
69.68011	1.0
76.72678	0.4
81.03440	0.5
81.07040	0.8
83.04982	1.0
91.05476	1.1
93.43238	0.4
95.04957	0.6
95.08614	0.9
98.14188	0.4
105.07021	1.2
106.02921	0.9
107.08563	0.9
111.04431	2.8
113.05987	0.4
119.08553	0.7
124.03922	1.0
129.06967	0.6
131.08542	1.6
143.08565	0.7
145.10078	0.6
155.08578	0.5
157.10158	0.9
159.07947	0.5
159.11703	0.7
169.04659	0.5
169.10167	0.6
171.11699	0.9
173.13278	0.8
181.10152	0.4
184.22716	0.4
201.12819	0.6
219.13902	0.7
224.59506	0.4
287.01871	0.5
337.16324	0.5
369.96915	0.4
407.24017	100.0
408.24396	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
61.63470	0.4
67.05506	0.6
69.03429	1.9
70.04051	0.5
70.49316	0.7
70.49638	0.9
79.05508	0.8
81.07062	1.3
83.04970	1.4
84.77084	0.5
91.05467	0.9
93.07046	1.0
95.04945	0.6
95.08607	0.8
103.07035	0.4
105.07025	1.1
106.02919	1.5
107.08608	0.6
109.06521	0.5
111.04435	3.4
119.08580	1.5
124.03947	1.3
128.06250	0.5
129.05478	0.8
131.08594	1.0
143.08577	1.0
145.10127	1.0
155.08560	0.9
157.10088	1.0
159.08072	0.5
159.11662	0.8
167.08522	0.6
169.10034	0.6
171.11781	0.8
173.13309	1.5
180.58018	0.4
189.12720	1.0
209.13138	0.8
219.13725	0.5
248.72533	0.6
305.03122	0.5
407.24051	100.0
408.24332	7.7
422.01172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37241	1.9
56.30212	1.7
57.07066	2.6
68.99342	2.1
69.03424	7.6
69.34174	6.5
70.06586	5.9
79.05497	5.4
81.07054	6.0
83.04977	3.7
91.05486	3.9
93.07045	3.7
95.04967	3.8
95.08559	2.8
99.40253	1.8
105.07019	5.6
107.08562	4.0
111.04462	3.4
113.00015	25.7
119.08540	4.2
124.03941	7.3
127.01560	100.0
129.05441	2.6
131.08641	1.9
133.10120	2.7
143.08534	2.2
145.10081	2.1
146.11707	2.2
157.10094	2.2
159.11707	2.9
161.13286	2.7
171.11705	2.9
173.13225	4.5
243.09229	2.0
274.39169	1.9
294.99869	4.2
300.28979	2.3
301.29285	6.6
319.36551	2.1
331.15756	5.4
345.31866	3.8
349.16666	4.4
389.11679	3.0
396.51407	1.9
407.24146	18.9
407.35577	24.1
408.24661	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	407.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37241	1.9
56.30212	1.7
57.07066	2.6
68.99342	2.1
69.03424	7.6
69.34174	6.5
70.06586	5.9
79.05497	5.4
81.07054	6.0
83.04977	3.7
91.05486	3.9
93.07045	3.7
95.04967	3.8
95.08559	2.8
99.40253	1.8
105.07019	5.6
107.08562	4.0
111.04462	3.4
113.00015	25.7
119.08540	4.2
124.03941	7.3
127.01560	100.0
129.05441	2.6
131.08641	1.9
133.10120	2.7
143.08534	2.2
145.10081	2.1
146.11707	2.2
157.10094	2.2
159.11707	2.9
161.13286	2.7
171.11705	2.9
173.13225	4.5
243.09229	2.0
274.39169	1.9
294.99869	4.2
300.28979	2.3
301.29285	6.6
319.36551	2.1
331.15756	5.4
345.31866	3.8
349.16666	4.4
389.11679	3.0
396.51407	1.9
407.24146	18.9
407.35577	24.1
408.24661	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	407.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.07070	42.3
58.07409	0.4
61.02935	0.2
67.05489	0.4
69.07060	3.6
69.34082	1.4
71.08624	31.6
72.50749	0.3
73.06551	5.2
76.88425	0.3
79.05479	0.3
81.07043	0.5
83.08611	2.1
85.10171	18.4
86.10485	0.3
86.68362	0.3
87.04444	2.0
89.06020	100.0
90.06354	1.1
91.07590	0.7
95.08524	0.3
97.10155	2.4
99.11733	2.9
107.07055	3.2
111.11707	1.4
113.13271	2.0
117.09131	1.5
119.08541	0.4
125.13237	0.4
127.14829	1.1
127.34535	0.3
130.08640	1.3
133.08589	37.7
134.08948	0.8
135.10103	0.3
151.09633	3.3
169.19484	1.9
177.11206	5.8
195.12267	2.7
213.22119	0.6
236.88968	0.3
239.14871	7.9
240.15175	0.3
257.24753	1.4
363.30951	0.7
407.25772	0.3
407.33380	1.8
414.28149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.6
56.05038	0.2
58.99574	0.8
69.28529	0.9
73.01149	0.2
74.15657	0.2
76.02213	0.3
76.03957	0.2
81.07065	0.2
83.06123	0.2
83.08620	2.1
84.04505	1.0
84.08147	0.2
85.02877	0.3
86.99066	0.8
88.02213	0.2
91.05492	0.6
94.29819	0.2
98.22749	0.3
100.07616	0.3
103.05469	0.2
110.05991	0.2
115.05458	0.2
116.01679	3.1
116.04969	0.3
117.05737	0.9
124.07589	0.4
129.06493	0.2
130.04984	0.2
130.06566	0.2
132.08076	0.6
136.07610	0.2
144.01137	1.7
159.08372	1.7
160.07570	100.0
161.07930	2.8
162.02194	5.7
167.61287	0.2
186.05188	0.3
188.44023	0.2
211.09660	0.2
226.46387	0.2
262.11078	2.3
279.13712	0.6
316.96338	0.2
333.14825	0.6
365.11893	0.7
408.12921	2.5
408.18021	0.3
409.10910	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	408.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39798	0.6
69.21078	0.6
71.90919	0.6
73.21187	0.7
96.04517	1.3
103.05465	0.8
110.09678	2.9
131.04929	2.7
132.05321	1.0
138.09148	3.0
139.61020	0.6
145.02635	1.4
163.03951	0.9
178.01346	1.3
186.05232	2.5
206.08125	0.8
220.06030	2.8
292.96188	0.7
299.05334	0.7
304.00946	0.7
304.07898	18.0
305.08374	1.1
324.12366	1.9
329.10049	1.0
391.16550	2.6
408.14157	100.0
409.14102	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	408.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.05258	0.3
55.05511	5.2
56.05029	0.3
58.99579	2.2
59.70975	0.2
60.39205	0.2
61.01146	0.4
70.06583	0.3
70.43294	0.2
70.82511	0.2
76.02226	1.4
76.04002	0.6
77.08110	0.2
81.03463	0.3
83.06069	0.4
83.08620	6.0
84.04504	3.2
84.08128	0.2
86.66100	0.2
86.99063	2.1
88.02207	0.6
91.05447	0.5
92.18388	0.2
95.04984	0.2
100.07603	0.3
105.07062	0.2
107.08609	0.2
110.06047	0.4
112.47254	0.2
115.05495	0.3
116.01669	9.6
117.04926	0.2
117.05746	0.9
119.04914	0.2
129.06586	0.7
130.04962	0.7
131.04993	0.2
132.08066	0.4
136.07492	0.3
142.03236	0.7
142.06540	0.2
144.01135	4.4
145.02620	0.3
159.08379	4.5
160.07571	100.0
161.07913	3.6
162.02196	14.7
163.02420	0.2
173.03308	0.2
176.11075	0.6
186.05209	0.3
240.10747	0.2
244.09825	0.3
262.11075	8.0
263.11359	0.2
279.13748	2.7
291.13376	0.2
333.14810	2.9
365.11972	1.2
375.26065	0.2
390.16196	0.2
408.12811	3.1
408.17969	0.8
409.10928	4.5
409.16110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63315	4.0
58.86990	3.7
63.47704	3.4
64.64771	3.4
77.92413	3.4
84.08168	5.8
84.33381	3.4
85.02896	9.6
91.05457	7.9
92.12576	3.6
93.07034	5.0
103.05471	6.1
121.06525	13.5
126.09180	4.7
137.05975	8.9
145.02602	6.1
149.06013	28.1
161.02890	4.9
166.06239	4.0
167.07033	77.7
181.08592	33.4
185.06029	4.7
186.05247	8.6
195.10245	3.9
200.13411	4.2
203.04036	4.9
211.09637	100.0
227.10623	4.4
244.04375	9.0
281.52313	3.9
285.96417	3.8
328.26071	4.2
364.18668	5.0
366.20697	6.2
408.21793	13.0
408.27039	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	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.5
62.12302	2.0
67.05501	4.8
69.03418	3.0
69.22826	12.4
78.39722	1.9
79.05492	4.4
81.03418	5.8
81.07054	3.6
83.08627	5.9
84.04523	3.2
84.08157	4.8
85.02916	3.1
86.09706	18.8
87.00800	2.0
91.05469	3.8
93.07048	4.5
95.04943	2.4
95.08601	12.2
97.02882	3.5
98.23432	4.1
103.05472	3.0
105.07030	31.2
107.04954	3.2
107.08594	2.5
108.05721	2.8
109.02835	2.2
109.06503	4.6
116.01696	4.1
120.08110	34.3
120.08907	3.8
121.02927	1.9
123.08063	60.1
126.01144	2.4
127.03917	2.8
133.06485	22.8
133.10127	3.0
137.05986	4.0
144.01184	3.2
148.06075	3.8
151.07539	100.0
152.07904	3.0
159.08296	3.3
162.02188	9.1
169.08582	7.3
181.04919	2.4
186.05310	8.9
187.15131	2.0
193.12300	2.2
211.13266	4.1
222.03932	3.1
226.06221	2.8
233.16458	7.0
262.11044	3.8
329.10083	13.2
363.11682	2.3
365.12003	4.3
377.13318	3.5
408.23337	2.5
409.10724	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	408.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00039	12.6
54.84313	14.6
63.02612	12.8
69.03435	22.3
69.64046	25.5
69.64432	30.3
79.05488	13.9
85.02922	23.0
97.02975	13.3
105.01849	18.7
105.07025	30.1
107.11453	13.6
111.04431	23.9
119.04958	23.2
119.08604	15.7
121.10904	14.7
127.03899	29.1
131.12148	15.5
145.02586	26.8
159.11688	15.9
186.05283	72.6
247.13281	78.4
271.37885	13.6
288.05020	21.6
409.12549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.0
58.38680	5.5
60.63804	5.3
67.05470	6.3
69.45987	28.0
79.05506	9.3
81.07059	8.6
91.05499	12.6
94.29002	6.8
98.23376	13.4
109.10136	8.3
116.04958	27.6
117.05711	8.0
124.03928	11.4
131.07304	21.7
132.08015	9.2
134.06033	12.2
143.27342	6.2
145.02589	27.0
145.10158	7.0
146.06003	12.1
164.64705	6.4
186.05225	62.3
206.08040	40.8
408.27454	100.0
409.27179	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	409.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09403	0.2
67.01846	0.2
69.03407	0.3
69.32774	0.6
69.33180	0.3
70.76109	0.2
91.05449	0.7
107.01294	0.3
118.04176	0.4
119.04952	1.0
121.02864	2.6
123.00726	0.2
124.55591	0.2
125.02303	0.7
137.02328	0.3
145.02765	0.2
150.03131	0.2
153.01822	9.4
165.01819	0.2
166.02556	0.2
171.02902	0.7
180.99785	0.3
181.01314	5.4
181.02919	0.3
182.01672	0.3
193.01399	0.3
195.02873	3.2
196.03352	0.2
197.05974	0.4
199.02376	7.0
211.02272	0.2
211.05966	0.9
215.06947	0.2
225.00751	0.2
225.05475	0.4
229.04994	0.5
239.06992	0.8
241.04947	0.7
242.05542	0.2
243.06508	1.6
253.04950	0.7
257.08310	0.2
267.06540	0.4
268.07303	0.5
269.04416	0.6
269.08011	0.2
270.05310	1.0
271.05997	14.1
272.06314	0.8
281.04327	0.2
282.08859	0.7
283.05957	0.4
284.06573	0.3
285.07532	1.9
286.08359	0.9
294.05133	0.2
295.05951	0.5
296.06876	1.1
297.04129	0.3
297.07559	0.7
298.04785	0.9
298.07782	0.2
299.05496	73.3
300.05829	4.6
301.10690	4.8
302.11032	0.3
311.05536	0.3
313.07043	5.0
314.07825	11.3
315.08258	0.8
327.08722	1.1
328.09372	0.4
329.10172	100.0
330.10526	7.1
409.05862	14.3
410.06082	1.1
415.72470	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	409.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17966	0.4
69.57333	1.5
89.38831	0.4
90.05468	0.4
91.05466	0.8
107.01317	0.4
112.53630	0.4
118.04147	0.4
119.04901	1.1
121.02869	3.0
125.02307	0.8
153.00633	0.8
153.01823	10.5
158.62888	0.4
161.92050	0.4
171.02867	0.8
181.01289	6.3
193.01343	0.8
195.02858	3.4
199.02364	7.6
211.05975	1.0
239.07005	1.0
243.06572	1.3
251.86485	0.4
253.04999	0.9
268.07260	0.6
269.04453	0.7
270.05228	1.0
271.05994	16.3
272.06293	1.1
282.08838	1.1
285.07523	2.0
286.08362	0.6
296.06653	1.1
297.07599	0.7
299.05484	79.4
300.05838	4.4
301.10605	4.8
313.06967	4.9
314.07813	11.9
327.08414	0.9
328.09351	0.8
329.10159	100.0
330.10507	5.7
354.46725	0.4
409.05853	14.7
410.06137	0.5
414.86929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36356	1.1
69.36758	1.5
91.05479	0.8
98.22755	0.8
119.04932	1.1
121.02843	3.0
131.45992	0.5
153.01801	9.6
171.02931	0.8
181.01289	6.5
187.77979	0.5
195.02844	3.3
199.02383	7.3
211.05989	0.7
239.07080	1.1
243.06561	1.5
269.04422	0.7
270.05240	1.1
271.05984	17.4
272.06308	0.9
282.08829	0.8
285.07440	2.2
286.08273	1.0
296.06778	0.8
297.07443	0.6
298.04480	0.7
299.05490	76.6
300.05719	4.0
301.10629	4.3
311.05658	0.6
313.07108	4.4
314.07831	11.7
327.08658	1.3
328.09506	1.1
329.10175	100.0
330.10541	6.0
360.19559	0.5
409.05835	17.2
410.06082	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
67.05462	0.3
69.03429	1.3
69.27927	0.6
69.28337	1.2
81.03402	0.4
85.02899	0.3
91.05486	1.0
96.04494	1.4
97.04800	0.6
98.22662	0.7
105.07036	0.9
107.01350	0.4
109.02934	0.4
111.04420	1.4
112.04797	0.7
116.04971	0.4
118.04247	0.3
119.04928	1.0
120.34541	0.3
121.02856	2.6
125.02347	0.8
131.08519	0.4
132.08865	0.4
133.76851	0.3
135.96503	0.3
145.02638	0.5
145.10129	0.4
145.51939	0.3
150.03014	0.4
153.01816	8.7
171.02872	0.6
174.13518	0.3
181.01323	5.4
186.05206	1.3
193.01216	0.5
195.02844	3.5
199.02357	7.2
206.08041	0.5
211.05957	0.6
218.00890	0.3
229.04953	0.6
239.06960	0.8
241.04919	0.3
243.06517	1.5
253.05005	0.7
267.06561	0.5
268.07141	0.6
269.04367	0.6
270.05185	1.4
271.05997	14.9
272.06442	0.8
282.08789	0.6
284.03226	0.4
285.07471	2.0
286.08340	0.9
296.06805	1.0
297.07507	0.6
298.04709	1.1
299.05484	71.7
300.05856	4.6
301.10696	4.4
313.06989	5.0
314.07809	11.1
315.08185	0.8
327.08810	1.0
328.09323	0.9
329.10162	100.0
330.10501	7.5
349.10406	1.5
377.09915	9.8
377.14896	0.5
378.10184	0.8
391.11279	0.9
409.05823	15.7
409.12451	5.5
410.06024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82313	2.9
56.96558	3.4
62.62546	3.1
69.03420	6.0
69.50642	5.8
69.51025	4.9
71.60210	3.0
73.02923	4.9
87.04449	19.0
89.06038	16.3
97.06461	3.8
98.97575	14.8
110.97587	4.8
116.98569	3.1
124.62922	3.4
128.98564	4.1
133.08611	7.8
177.11189	4.5
179.03804	5.2
186.05247	10.9
219.01752	9.3
237.02841	11.1
323.07959	21.7
341.09070	14.9
354.36575	3.5
365.09647	5.7
409.08926	100.0
409.17877	5.9
410.09094	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	409.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
55.05259	0.9
55.05512	15.6
56.05028	0.9
56.05841	4.0
58.99584	9.5
59.99916	1.0
61.01149	0.9
69.03387	0.6
69.07079	0.6
70.06590	1.1
71.42812	0.8
72.08160	1.8
76.02205	3.7
76.03990	1.5
81.07062	1.0
83.05002	0.8
83.06089	1.2
83.08617	18.2
84.04496	11.6
84.08138	1.1
84.08938	6.6
85.04839	2.5
86.09701	3.8
86.99051	6.9
87.42554	0.7
88.02232	2.1
101.05875	2.8
101.09647	1.2
102.05662	0.6
105.00141	0.9
116.01672	27.7
116.04947	1.8
117.02052	5.3
118.01274	1.3
120.08089	2.9
129.06624	1.9
130.05017	2.3
131.07324	1.9
132.08121	1.1
134.05998	1.0
141.07280	0.8
142.03217	1.2
142.06520	0.6
144.01144	12.8
145.01414	2.6
145.02612	3.5
145.06125	0.7
146.06033	1.4
147.05186	1.4
159.08377	12.2
160.08752	5.1
161.07933	0.9
162.02194	41.5
163.02548	10.1
164.01767	2.2
164.25323	0.7
173.03223	1.3
176.11111	0.7
186.05225	9.7
206.08078	1.4
227.05280	0.9
230.86726	0.6
261.10944	0.8
262.11072	12.2
263.11417	13.3
264.11035	0.8
271.04309	1.1
271.10910	1.3
279.13733	2.5
280.13995	3.1
305.09933	0.7
323.10846	4.9
333.14798	3.4
334.15063	5.6
335.14999	1.1
365.12045	32.0
366.12280	1.9
391.14935	0.9
409.11038	100.0
409.15683	4.8
409.21964	9.7
410.11386	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	409.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07028	1.9
68.71664	0.7
68.99789	3.1
70.81913	0.6
71.08589	1.3
71.44769	0.7
79.01790	1.1
89.05982	2.1
91.05437	1.0
93.07034	0.6
99.65569	0.6
107.01285	1.2
115.05401	0.7
116.04939	1.6
117.05705	0.8
125.54960	0.6
130.06511	1.4
131.07262	1.3
133.08589	1.0
140.04904	3.5
141.05634	1.5
142.06425	1.0
144.04442	5.8
145.02548	1.9
145.03726	0.8
149.95827	0.6
154.06516	8.7
155.05991	3.3
156.04405	0.6
157.05266	3.5
158.05992	0.7
166.06511	5.3
167.05980	2.4
168.04446	7.5
169.07610	1.3
170.05939	0.8
173.03241	1.3
178.06546	1.3
179.04482	0.9
179.06013	10.2
181.07596	12.6
183.05496	3.4
185.07042	1.8
186.05258	7.8
192.06831	4.1
193.05939	1.2
193.07600	18.6
194.05998	2.1
194.07715	0.9
195.05476	2.1
196.79320	0.6
203.05988	1.3
203.65111	0.7
205.07645	3.7
206.08072	1.8
207.05522	11.9
209.07103	12.0
210.05418	1.6
220.06235	1.1
221.07088	30.1
222.05463	2.7
222.07431	1.1
223.99342	0.8
231.05470	1.3
233.07092	3.2
235.05020	4.7
237.06529	2.3
239.04378	2.0
241.04959	0.7
249.06575	20.0
250.04898	2.2
250.07185	0.9
253.06105	2.0
257.05566	6.5
261.06476	2.3
270.05307	0.9
271.05975	3.7
277.06073	11.9
278.06598	0.7
287.04382	1.8
295.07050	2.0
299.05414	0.8
305.05542	84.8
306.05826	4.5
323.06595	100.0
324.06915	6.0
329.10321	1.6
367.10541	1.4
409.11792	53.5
409.16385	4.5
410.12317	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	409.1259
Annotation	Cystothiazole C
Peak:m/z	Relative Intensity
52.07459	0.5
55.05504	1.0
55.20423	0.4
58.06588	0.7
60.38803	0.5
67.05493	1.5
69.03441	0.9
69.07069	0.7
71.42278	0.7
75.74409	0.5
76.56309	0.5
76.84187	0.6
79.05481	1.8
81.03407	1.7
81.07031	1.3
83.04968	0.7
83.08598	0.5
89.34673	0.4
90.53911	0.5
91.05460	2.4
93.07024	0.7
95.04958	0.9
95.08604	0.6
98.00388	0.5
105.07053	0.9
107.04967	0.7
107.08610	0.8
115.09798	1.8
116.04960	1.0
117.04826	1.9
117.05650	0.5
117.06999	0.9
119.08549	0.9
121.02860	1.3
121.04597	1.0
121.06498	5.7
124.03964	1.5
125.09638	0.7
127.01548	1.6
131.08534	0.6
141.06940	0.7
143.09366	0.6
145.02686	2.6
146.06065	0.5
153.03096	1.9
186.05254	4.5
193.12221	0.5
197.05884	1.5
206.08177	0.8
249.89970	0.6
253.02519	0.5
253.04948	0.8
271.06027	0.6
279.02600	0.5
280.03452	1.1
305.11450	1.6
311.04672	0.6
317.08124	0.6
331.09576	1.0
333.10980	2.3
349.10526	1.3
377.09927	100.0
378.10239	7.9
391.11591	16.7
392.11835	0.8
409.07248	0.9
409.12491	6.2
409.25189	2.1
410.12888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1259
Annotation	Cystothiazole C
Peak:m/z	Relative Intensity
67.56319	0.3
96.99883	0.3
98.22733	0.9
111.04421	0.3
120.08105	0.4
121.08437	0.4
121.68125	0.3
141.94975	0.3
186.05240	0.9
197.08441	0.3
206.07988	0.3
251.03142	1.0
277.04669	0.3
279.02679	0.8
294.08597	0.3
300.15488	0.3
333.07382	0.5
340.86749	0.3
347.16754	0.4
349.10443	11.5
349.14774	0.6
350.10797	1.2
363.12070	3.5
377.04984	0.3
377.09909	17.8
378.10236	1.5
391.11478	25.1
392.11987	2.2
409.12549	100.0
410.12891	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	409.1366
Annotation	Trifloxystrobin
Peak:m/z	Relative Intensity
63.02373	0.4
65.00712	0.2
65.03946	0.3
67.02661	0.2
69.66382	0.7
75.02359	0.2
79.05481	0.4
88.63596	0.2
89.03907	3.1
90.04698	0.9
91.04938	0.3
91.05476	4.4
91.06047	0.2
101.01966	0.2
103.05460	0.7
104.06225	0.3
105.07021	2.4
109.06479	0.4
113.04015	0.3
115.05452	0.5
116.04972	24.7
117.05789	5.0
118.06535	4.1
119.04927	2.0
119.05954	0.5
119.07298	0.5
123.03539	0.5
125.02001	0.2
128.04959	0.2
130.06517	3.5
131.07301	18.7
132.04448	2.7
132.08089	10.2
133.05196	0.3
133.08397	0.3
134.06007	3.8
143.03012	0.3
145.02586	37.6
146.02957	1.1
146.05994	9.1
146.07176	0.4
147.06810	1.8
148.07579	0.8
149.04703	0.2
157.07628	0.4
159.04179	0.2
161.04707	2.4
162.09135	1.7
163.03633	1.6
173.01692	0.5
173.03210	9.2
174.05452	0.5
175.06256	1.1
178.08640	0.8
180.74878	0.2
186.05244	100.0
187.05606	3.1
190.61154	0.2
206.08112	20.2
207.08437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38759	0.5
63.02362	0.8
65.03922	0.8
69.72129	2.0
79.05493	1.9
89.03913	9.3
90.04688	3.1
91.05474	16.7
95.04955	1.2
103.05465	2.8
104.04979	0.9
105.04523	0.7
105.07021	6.9
109.06520	1.4
111.36916	0.7
115.04135	0.9
115.05446	1.5
116.04972	63.3
117.04508	0.8
117.05775	16.1
118.04187	0.8
118.05762	1.0
118.06540	12.7
119.04921	5.4
119.06049	0.9
119.07350	1.4
128.04970	1.3
130.06526	12.7
131.07301	54.9
132.04443	13.6
132.08092	31.9
132.08949	0.6
133.05234	1.1
133.08421	1.0
134.06004	23.1
143.03618	0.9
144.04396	0.9
145.02600	8.2
145.03818	0.9
146.05997	40.1
147.06805	8.4
148.07492	1.1
149.04712	1.8
156.95018	0.6
157.07616	2.0
159.04169	1.5
161.04701	11.3
162.09161	4.4
164.60716	0.6
173.03285	0.8
174.05510	1.9
175.06277	3.7
176.66037	0.7
178.08656	3.2
186.05244	30.6
188.44478	0.6
203.96982	0.6
206.08107	100.0
207.08447	4.0
232.05954	2.2
233.06403	1.8
249.06346	0.7
257.01822	1.7
305.05536	1.0
317.24655	0.8
317.59225	0.6
323.06500	1.0
325.32434	0.6
350.10382	0.7
409.13229	1.4
409.18384	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	409.1365
Annotation	Trifloxystrobin
Peak:m/z	Relative Intensity
65.03924	0.5
67.15563	0.2
68.86777	0.3
69.11121	0.5
69.11526	1.5
75.02419	0.3
79.05478	0.6
87.44834	0.2
89.03899	3.4
90.04679	0.9
91.05476	7.0
95.04944	0.5
95.08584	0.4
100.75680	0.3
101.01972	0.3
102.93624	0.3
103.05475	0.8
104.04998	0.5
104.06216	0.5
105.04514	0.3
105.07029	2.8
109.06499	0.9
113.04000	0.3
115.04207	0.6
116.04968	23.4
117.05769	6.7
118.06533	4.4
119.04947	1.7
119.05687	0.3
119.06076	0.3
119.08548	0.6
123.03516	0.6
125.01947	0.3
128.04977	0.3
130.06514	4.7
131.07297	16.0
132.04437	5.2
132.08089	9.3
132.09082	0.4
133.05193	0.5
134.05995	4.7
145.02582	48.4
146.02933	1.3
146.05989	13.5
147.06808	3.0
147.07976	0.4
148.07611	0.7
149.04703	0.5
157.07576	0.6
161.04695	4.2
162.05028	0.3
162.09164	1.2
163.03658	2.2
165.09193	0.3
167.97752	0.3
173.03206	9.4
174.05510	0.6
175.06259	1.0
178.08583	0.8
180.06155	0.3
186.05237	100.0
187.05583	3.5
192.06540	0.3
206.08102	31.4
207.08366	1.3
218.78249	0.3
221.15367	0.6
227.14124	0.3
409.27026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88242	0.4
62.07485	0.4
68.99776	0.6
69.75658	1.5
73.37667	0.5
91.05467	0.7
95.01253	0.6
103.05487	0.8
105.06989	0.8
119.06060	3.8
120.06797	0.4
121.02849	0.5
121.07600	1.9
123.00793	0.6
127.05001	0.8
131.04907	1.7
133.07617	8.2
135.05554	0.9
147.05513	5.8
149.02336	0.9
149.07034	0.5
153.01810	0.8
161.07120	3.2
163.00223	1.9
165.01842	1.1
165.06538	0.9
176.03447	0.7
177.01811	0.7
181.01328	1.7
186.05222	1.4
189.06602	10.4
190.99730	2.7
202.99818	0.7
205.01315	2.1
209.00807	3.7
217.06085	29.5
218.06401	1.1
231.04015	0.7
245.05574	100.0
246.05896	4.5
249.00284	1.0
263.06592	2.0
269.08124	0.8
271.06039	1.1
273.05060	13.3
287.05276	0.6
291.06137	1.7
295.05960	3.1
299.02328	0.8
299.05429	4.1
305.06888	1.0
307.10956	0.7
313.07379	0.5
317.03589	0.5
329.10187	6.6
349.11823	41.8
350.12195	3.6
360.23749	0.5
377.11307	40.9
378.11816	3.6
392.34824	0.5
409.13901	27.6
410.14117	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	409.1758
Annotation	alclometasone
Peak:m/z	Relative Intensity
53.03944	2.0
55.05501	2.2
58.97247	1.1
68.05019	15.3
69.03427	1.9
69.85604	3.7
70.06572	3.5
80.05030	1.7
82.06572	9.5
84.04496	3.1
89.06728	1.0
91.05465	1.7
91.97802	1.3
92.22035	1.1
95.08514	1.2
96.04485	80.0
98.23460	1.1
103.05463	3.9
108.08075	2.1
110.06023	2.2
110.09674	98.3
110.74582	1.3
111.94813	1.1
112.07539	1.3
116.04953	1.9
120.08076	2.4
122.09665	4.9
131.04953	11.0
131.07341	1.5
132.05269	1.2
138.01836	2.8
138.09131	80.8
139.09543	1.8
140.03516	1.3
145.02609	2.6
150.01892	1.7
152.07083	1.6
164.07021	2.2
166.01372	1.6
167.02127	4.1
168.02902	5.8
178.01344	28.3
178.04932	1.9
180.02943	1.2
185.03207	2.0
186.05272	8.5
192.06538	6.7
196.02466	1.4
196.06099	1.4
206.08054	1.6
218.04431	3.3
220.06038	82.1
221.06451	1.7
222.07668	3.0
236.05409	5.5
238.07092	3.7
257.01883	4.0
261.12347	1.1
272.09039	2.1
282.07602	14.0
287.10199	10.0
299.05453	1.7
304.07837	1.9
305.05292	1.6
305.08337	1.8
323.06662	4.0
324.12283	47.9
325.12625	3.1
326.13702	1.7
329.10141	3.6
340.11807	17.1
391.16489	100.0
392.16833	6.4
409.17975	79.6
410.17844	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04522	16.9
68.88989	5.0
70.06594	65.6
70.70282	5.4
71.22699	7.4
72.08144	8.5
72.15195	6.3
74.02432	5.3
76.02234	8.1
81.03442	6.8
84.04482	11.4
84.08111	9.0
86.03565	5.4
91.05441	6.6
98.58627	5.8
98.97644	8.3
100.02206	6.6
102.05592	6.5
110.63152	5.5
110.99329	6.6
114.05536	24.3
116.04979	21.2
116.07085	8.5
117.05737	8.6
118.06516	6.7
120.08096	20.9
130.04961	6.3
131.07303	14.4
131.99350	18.8
132.08060	14.4
134.05986	12.7
135.68689	6.2
139.05031	12.9
145.02602	34.0
146.06020	18.1
149.02122	6.3
149.04538	9.7
158.05731	6.9
163.10054	7.5
166.07256	82.8
169.04976	8.8
172.06578	6.0
173.03241	8.0
176.03180	8.6
186.05252	100.0
187.05748	8.3
188.07080	20.9
197.12822	11.7
205.00992	24.4
206.08151	22.8
213.12390	20.3
219.17006	6.2
235.02109	23.6
244.08087	6.5
280.04077	13.0
310.17554	14.0
355.24640	6.0
408.84161	6.2
409.08640	7.7
409.15955	12.3
410.14063	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.7
71.19030	0.8
76.29454	1.0
91.05459	1.0
91.25381	0.8
100.25750	0.7
107.08545	0.8
116.04976	2.2
118.70572	0.8
121.53885	0.8
124.03963	1.2
131.07294	2.1
134.06042	0.8
145.02597	3.2
146.06015	0.9
180.56367	0.9
186.05261	11.5
206.08133	2.9
211.64490	0.8
269.13632	3.1
351.18530	1.1
409.25580	100.0
410.25845	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	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77064	0.6
81.07053	0.9
91.05458	0.8
105.07014	0.7
116.04984	1.4
119.08550	0.7
124.03932	1.2
127.01598	3.4
129.02020	1.2
131.07272	1.3
132.08055	1.2
145.02618	2.8
146.06020	0.6
171.11642	0.8
173.03149	1.2
186.05258	7.8
197.06036	0.6
206.08093	1.6
220.06862	1.2
224.00012	0.6
353.53763	0.6
408.35712	1.8
409.25580	100.0
410.25980	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	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92203	0.5
67.38860	0.5
68.89700	0.5
69.17785	0.5
69.92998	1.2
69.93366	0.9
76.75864	0.6
81.07074	0.6
91.05473	1.2
93.07010	0.7
105.06985	0.6
116.04975	2.1
124.03928	0.9
127.01535	3.0
129.01993	0.6
131.07320	2.0
132.08101	1.3
145.02580	4.7
146.06053	1.5
186.05252	10.9
187.05608	0.7
206.08087	3.0
220.06857	0.6
325.37366	0.6
339.88608	0.6
387.99234	0.6
408.35889	0.8
409.25568	100.0
410.26004	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17195	1.2
53.03947	3.2
55.01865	1.7
55.05507	12.5
57.07063	5.0
59.04985	3.7
65.03931	2.6
65.79684	1.2
67.05495	14.8
69.03427	6.2
69.07064	4.4
69.22302	4.2
69.22691	2.7
71.04943	2.0
79.05490	15.0
81.07053	20.6
83.04959	2.5
83.08599	2.3
85.06535	2.1
89.03918	2.0
91.05472	31.7
93.07033	31.2
95.04959	33.8
95.05534	2.7
95.08596	19.6
96.05296	1.4
97.06506	8.0
98.23470	2.9
103.05458	4.2
105.04487	2.4
105.07019	67.4
107.04948	2.3
107.08585	14.6
109.06522	9.3
109.10148	6.7
111.08031	2.2
115.05451	2.4
116.04968	23.9
117.05753	4.0
117.07016	8.9
118.06539	5.6
119.04931	3.9
119.06014	1.1
119.08569	38.0
119.09418	1.9
121.06483	11.6
121.10146	10.3
123.08051	14.5
123.11693	1.5
128.06223	4.1
129.06979	5.6
130.06523	3.1
130.07776	1.9
131.07289	17.6
131.08548	12.2
132.04477	2.0
132.08093	10.6
133.06487	3.6
133.10120	13.0
134.05997	8.0
135.08047	11.1
135.11719	2.7
137.05934	1.6
137.09581	6.7
141.06969	4.8
142.07797	8.2
143.08560	12.9
144.09329	2.1
145.02591	38.0
145.10107	26.9
146.06024	7.4
146.07069	1.5
147.06937	2.4
147.08017	12.8
147.11678	25.3
148.11978	1.6
149.09575	9.2
151.07527	13.1
155.08524	5.7
156.09351	4.1
157.10101	16.9
159.08035	5.1
159.11664	8.9
160.08818	2.7
161.04727	3.3
161.09602	5.8
161.13226	4.1
163.07468	1.7
163.11131	3.1
165.06927	2.1
165.09105	24.8
167.08551	2.8
168.09340	3.2
169.10135	10.9
170.10921	2.5
171.11653	8.2
173.03221	9.1
173.09621	3.8
173.13243	5.5
175.11168	15.4
175.14665	1.5
177.09108	3.7
179.08572	1.6
181.10098	3.1
181.12175	1.7
183.11658	7.8
185.13261	3.8
186.05243	100.0
187.05556	3.3
187.11150	2.3
187.14838	2.4
189.12671	5.3
191.14232	1.9
195.11656	2.3
196.12262	1.9
199.11182	1.9
199.14906	1.9
201.12715	6.0
201.16330	2.0
203.14304	12.3
206.08136	22.1
207.11870	2.4
207.13786	7.5
208.12498	1.5
209.13251	2.9
209.15291	2.7
211.14763	4.3
213.12730	1.8
215.14308	2.0
219.13757	2.1
221.13246	2.9
221.15344	39.8
222.15709	1.8
222.46091	1.6
229.15927	4.2
234.16165	8.8
253.15800	1.9
286.19427	1.5
287.19986	5.1
300.20749	2.8
313.21799	1.5
329.21149	2.3
373.25076	2.2
391.26361	4.6
409.27338	36.3
409.32642	2.8
410.27594	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32701	1.1
55.01869	2.1
55.05510	6.9
57.07071	3.9
59.04997	2.1
61.58834	1.0
65.03913	2.1
67.05495	8.3
69.03424	4.1
69.07063	2.1
69.10906	2.4
69.11320	4.8
79.05483	9.3
81.07054	15.8
83.04982	1.6
85.06554	1.2
89.03902	4.0
89.06036	2.0
91.05477	22.2
92.99199	0.9
93.07048	19.8
94.52853	1.0
95.04967	28.5
95.08604	10.4
97.06522	3.1
98.22733	2.6
103.05475	2.9
105.07029	45.3
105.07738	2.5
106.07353	1.3
107.04913	1.1
107.08591	11.3
109.06512	6.9
109.10135	3.1
111.08080	1.7
115.05428	2.6
116.04974	25.2
116.06194	1.5
117.05790	5.0
117.07021	6.5
118.06505	3.4
119.04931	2.1
119.07747	1.7
119.08575	27.9
121.06493	9.2
121.10134	8.3
123.08057	7.6
124.03960	7.5
125.04292	1.6
128.06187	2.2
129.06969	3.2
130.06520	4.1
130.07680	1.4
131.07292	19.4
131.08539	8.6
132.04433	3.3
132.08101	10.8
133.06467	1.6
133.08540	1.2
133.10112	8.2
134.06015	7.2
135.08058	5.8
135.11728	1.9
137.09610	3.3
141.07005	1.7
142.07768	5.0
143.08546	7.9
144.09293	1.6
145.02591	32.8
145.03754	1.6
145.06459	1.5
145.10129	16.6
146.06010	11.0
147.06909	1.6
147.08031	6.2
147.11674	20.4
148.07541	1.4
149.09587	5.9
151.07529	9.6
153.09061	2.1
155.08583	3.8
156.09311	2.5
157.10091	10.5
159.08003	2.8
159.11687	7.6
161.04680	2.6
161.09653	5.0
161.13245	3.4
162.09132	2.0
163.03639	1.8
163.11217	1.9
165.09119	21.4
168.09268	1.6
169.10117	3.7
171.11665	4.4
173.03162	8.6
173.09612	2.9
173.13203	3.0
175.11179	13.0
175.14912	1.1
177.09106	3.1
179.08524	1.3
181.10074	1.9
183.11668	5.3
185.13219	1.9
186.05252	100.0
187.05583	4.8
187.11159	3.4
187.14793	1.1
189.12718	2.9
191.14250	2.5
195.11662	1.8
197.13268	2.2
199.11137	1.0
199.14740	1.4
201.12727	4.1
201.16331	1.2
203.14313	10.1
206.08133	24.6
207.08414	2.0
207.11865	1.1
207.13786	4.8
209.13303	2.5
209.15172	2.5
211.14764	2.2
219.13774	1.9
221.15340	44.4
222.15698	1.5
225.16551	1.3
229.15872	3.4
231.13800	2.0
234.16095	9.3
247.14680	1.2
263.21930	1.1
271.16776	1.2
286.19128	1.9
287.19977	4.4
299.20096	1.4
300.20819	2.8
329.21127	3.7
339.46225	1.1
391.26236	3.3
409.27356	21.1
410.27399	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05511	17.6
57.07073	6.6
59.05003	3.3
67.05494	18.7
69.03421	7.7
69.07069	8.1
69.52604	9.5
77.82490	2.4
79.05489	22.7
81.07052	34.1
83.04987	5.6
83.08628	2.7
89.03925	6.0
91.05474	40.2
93.07040	42.0
93.07600	3.0
95.04961	46.5
95.05524	4.0
95.08606	23.6
97.06519	12.5
103.05457	5.6
105.04513	2.8
105.07018	97.1
107.08594	25.2
109.06503	15.3
109.10147	23.1
115.05457	5.0
116.04976	29.1
117.05781	5.1
117.07001	12.6
118.06547	3.2
119.04930	6.8
119.08564	57.6
119.12037	2.4
121.06529	16.9
121.10136	14.2
123.08051	21.3
128.06207	6.9
129.07007	8.3
130.06554	4.6
130.07790	3.5
131.07307	22.2
131.08568	23.4
132.04485	4.1
132.08083	10.1
133.06506	5.7
133.10106	17.0
134.06033	3.1
135.08015	15.2
135.11684	4.2
137.05988	2.4
137.09618	10.3
139.72949	2.4
141.06973	2.2
142.07785	11.1
143.08556	16.5
144.09338	4.8
145.02589	40.6
145.10115	37.9
146.06050	6.0
147.06967	2.4
147.08008	13.9
147.11671	32.2
149.09621	10.4
151.07533	19.6
153.06935	3.0
155.08565	10.6
156.09351	4.5
157.10112	23.5
159.08028	4.9
159.11714	10.7
160.08917	2.8
161.09648	6.6
161.13306	3.9
162.09154	3.2
163.11191	4.1
165.09094	31.6
167.08627	2.9
168.09366	5.9
169.10115	11.8
170.10857	2.8
171.11705	8.5
173.03221	8.1
173.09665	6.6
173.13249	7.2
175.11127	18.8
177.09126	5.6
181.10147	6.7
181.12206	5.4
182.10966	3.0
183.11667	11.9
185.09532	2.7
185.13310	7.3
186.05243	100.0
187.05608	2.8
187.11180	6.5
189.12798	8.9
193.10132	2.6
194.10867	2.7
195.11742	3.7
196.12575	3.0
197.13315	5.2
199.14848	3.5
201.12785	7.0
203.14241	12.6
206.08110	23.2
207.13799	7.8
209.13245	5.3
209.15405	3.2
211.14856	7.4
213.12917	2.6
215.14334	4.0
217.16051	2.6
219.13731	3.2
221.15343	59.7
222.15729	4.3
223.14888	3.7
229.15898	8.8
231.13963	3.1
233.15422	2.9
234.16161	12.2
247.16762	2.2
263.17987	2.3
287.20041	8.8
300.20786	5.6
329.21295	4.3
391.26205	5.5
409.27335	49.7
410.27689	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01871	2.5
55.05502	16.6
57.03437	2.8
57.07073	6.9
65.03959	2.6
67.05503	15.9
69.03403	10.6
69.07059	4.5
69.66866	9.2
76.23029	2.2
77.03937	5.1
79.05492	23.3
81.07055	30.0
81.07510	3.4
83.04974	6.8
83.64494	2.1
89.03923	2.7
90.70520	2.4
91.04906	1.7
91.05471	45.3
93.07041	45.9
95.04961	59.0
95.05531	4.1
95.08603	32.5
97.06536	10.6
98.22651	3.1
103.05464	6.9
105.04539	3.4
105.07022	100.0
107.08592	22.5
109.06516	17.5
109.10168	8.0
111.08051	2.8
113.75571	2.2
115.05416	4.8
116.04971	24.2
116.49667	2.4
117.05772	2.5
117.06998	14.5
118.06541	5.5
119.04917	3.5
119.08572	70.1
120.09273	2.1
121.06503	20.7
121.10140	16.6
123.08045	24.5
125.06005	2.5
128.06238	7.7
129.07014	11.2
130.06511	3.8
130.07773	4.0
131.07346	15.2
131.08545	23.3
132.08090	9.3
133.06493	6.5
133.10126	18.7
135.08032	17.2
135.11716	6.2
137.05986	4.4
137.09607	11.9
141.06912	4.2
142.07808	13.4
143.08559	14.4
144.09254	5.1
145.02599	41.1
145.06427	3.8
145.10117	40.9
146.06006	6.5
146.10944	3.1
147.06938	3.8
147.08015	17.7
147.11684	40.4
149.09576	11.3
151.07535	22.3
153.07027	2.7
153.09126	4.7
155.08571	8.7
156.09305	6.0
157.10133	22.2
159.08078	4.5
159.11667	11.5
161.09602	9.5
161.13246	4.4
163.11208	7.5
165.09106	41.0
165.10413	3.7
167.08569	3.9
168.09387	5.9
169.10152	10.1
171.11682	10.8
173.03271	8.0
173.09593	5.8
173.13261	8.9
175.11183	23.0
177.09048	5.5
181.10201	5.0
181.12207	2.3
182.10802	2.4
183.11722	9.1
185.09505	2.2
185.13330	4.9
186.05234	82.2
187.05493	4.0
187.11176	5.3
187.14809	4.2
189.12733	6.2
194.11070	2.1
195.11633	3.7
197.13252	3.9
199.11201	4.5
201.12770	7.7
203.14273	17.2
206.08130	20.3
207.11887	3.1
207.13850	8.1
209.15361	4.7
211.14777	3.5
213.12679	4.2
216.15196	2.7
219.13884	6.1
221.15335	77.6
221.17442	4.3
222.15784	4.8
225.16333	4.2
229.15817	6.2
231.13783	5.4
233.15506	4.1
234.16164	13.2
286.19232	5.5
287.20056	10.1
300.20700	3.2
329.21094	8.9
335.19745	2.7
391.26233	5.3
409.27277	38.3
410.27460	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	410.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75242	1.1
53.03943	3.0
53.07362	1.0
53.09081	0.9
55.01874	4.6
57.03435	4.3
61.02924	3.1
67.99160	1.0
68.86897	1.1
68.99794	2.8
69.03419	12.2
70.06594	4.2
71.05008	1.3
73.02907	4.1
73.33994	0.9
74.90430	1.1
79.28455	1.0
81.03415	12.7
85.02902	28.1
87.00831	12.6
87.94354	0.9
91.05488	1.6
97.02889	10.8
99.04467	5.0
101.39957	1.1
103.03939	3.0
105.01865	5.7
109.02870	8.4
115.03944	1.2
115.05477	3.1
117.01862	2.2
117.05749	3.6
117.07035	4.0
118.06536	1.9
120.08096	1.5
127.03912	11.6
128.06250	2.1
129.01880	2.3
129.06963	11.4
129.07689	0.9
130.06520	14.1
131.07283	1.4
132.08078	10.4
141.07016	1.4
142.06531	1.2
143.07289	27.8
144.08075	95.2
145.04988	3.9
145.08429	3.4
147.02887	1.2
147.04420	2.5
154.06509	1.9
155.07263	1.1
156.08083	29.8
157.08841	7.3
158.06032	3.1
158.09634	100.0
159.02864	5.1
159.10045	3.3
160.07567	9.3
162.09140	8.6
163.03854	1.3
167.07256	6.6
168.08069	22.9
169.08669	1.5
170.06076	2.1
170.09669	4.4
171.06808	1.9
172.07635	3.7
174.09138	9.5
180.08107	3.5
181.08884	4.1
182.09665	7.3
184.07561	25.0
186.09129	80.1
187.09497	2.9
191.07434	1.0
194.09686	1.8
196.07582	3.3
196.11212	3.6
198.09200	3.7
204.10187	61.8
205.10535	2.5
206.09650	3.4
209.08461	1.2
210.09201	3.5
214.08574	1.9
217.13315	1.4
222.09137	1.5
224.10616	8.8
228.10196	4.0
234.09108	2.4
247.14490	1.1
252.10155	13.7
258.04004	2.0
270.11191	8.7
288.12378	2.6
306.13477	1.6
312.12366	1.8
330.13272	6.2
348.14465	3.2
356.11334	7.6
358.14035	1.2
374.12289	29.8
375.12650	3.2
392.13373	37.9
393.13626	3.8
411.11752	2.9
411.19876	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	410.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
55.01857	7.4
55.05495	6.8
57.03415	12.5
59.50512	4.0
60.11604	4.3
61.02915	8.8
64.73208	3.9
65.53186	4.2
67.05489	15.4
68.99747	4.6
69.03420	44.2
69.07064	5.6
71.04979	21.6
73.02895	8.0
79.05474	10.7
81.03033	3.7
81.03411	29.6
81.07037	17.2
82.06573	4.8
83.97120	4.4
85.02901	100.0
87.00829	33.3
87.04458	14.0
89.06022	6.5
91.05444	6.0
93.07003	9.9
95.04952	10.4
95.08600	7.8
97.02890	21.5
99.04447	8.1
105.01850	53.3
105.07002	7.1
107.04948	5.1
107.08567	8.4
109.02871	17.8
109.10142	16.8
109.70943	4.1
111.04427	6.4
121.02808	4.9
121.06487	5.0
125.09702	4.7
127.03909	56.5
127.11232	7.4
135.08038	4.5
135.11687	36.3
144.08080	15.2
145.04987	21.6
153.12741	21.5
158.22786	4.0
159.02852	7.6
162.09123	6.5
163.03880	8.2
182.51889	4.7
186.24727	4.6
195.13811	12.1
213.14874	25.2
231.05127	8.7
231.15970	26.6
277.76831	4.5
290.06195	4.6
314.18967	4.6
339.14050	7.7
363.17838	4.8
393.09265	11.4
410.12772	6.9
411.10312	13.2
411.19681	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	410.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66962	0.8
53.03931	1.3
55.05506	1.4
59.72772	0.9
60.25703	0.8
67.05497	1.5
68.15127	1.0
69.03426	6.2
71.04977	1.3
71.08628	35.4
74.06954	0.8
81.03398	4.2
81.07048	2.3
85.02895	8.7
87.00830	4.1
91.09641	1.1
91.18001	0.9
97.02893	9.3
99.04450	3.0
99.08087	43.5
105.01831	1.7
109.02859	2.4
109.10149	3.0
120.08106	9.9
120.58471	0.8
127.01527	2.1
127.03913	8.8
127.11189	37.4
128.11543	1.1
137.02280	1.6
141.03146	1.5
145.04968	3.3
145.12227	100.0
146.12573	2.5
231.04951	1.9
241.04622	1.6
346.59262	0.9
411.09668	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	410.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56429	0.9
53.03939	4.0
55.01867	4.6
57.03445	4.8
57.66547	0.8
58.83747	0.8
61.02923	3.1
67.05499	1.9
67.66444	0.8
68.99789	2.3
69.03427	19.7
69.75441	3.0
70.06570	1.0
71.04980	3.5
71.08630	26.8
73.02536	1.0
73.02894	5.2
77.26189	0.9
81.02964	1.4
81.03419	20.1
85.02904	49.2
87.00829	26.3
91.03934	1.1
95.42126	0.9
97.02260	1.1
97.02895	21.8
98.23343	1.7
99.04452	7.9
99.08092	32.9
103.05465	2.8
105.01865	26.6
105.03346	1.3
106.02141	0.9
109.02884	17.4
109.10153	2.1
117.01848	2.7
117.06964	1.0
118.14902	0.9
127.03917	32.7
127.11192	30.4
127.92683	0.9
128.04233	1.7
129.01848	2.4
131.04953	4.2
132.05247	1.3
145.04971	15.8
145.12230	100.0
146.12546	3.6
147.02875	0.9
158.35783	0.9
159.02884	11.7
186.27841	1.0
189.04016	1.4
211.06064	1.2
213.03941	3.2
231.05048	7.4
249.06110	1.1
298.04669	3.0
315.04996	2.6
316.05756	1.1
330.07278	2.0
331.08078	11.5
411.03653	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	410.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89188	0.5
53.03938	0.9
55.01877	1.1
57.03434	35.7
57.47994	0.6
59.61719	0.6
61.02905	0.7
67.05496	0.7
69.03428	4.1
70.55623	1.3
73.02927	0.7
81.03418	3.0
84.80878	0.6
85.02906	6.6
87.00839	4.0
97.02843	3.2
99.04469	1.2
105.01870	3.2
109.02885	1.6
109.10163	3.2
111.93935	0.7
127.03909	4.0
127.11189	100.0
128.11531	3.1
141.61656	0.6
145.04971	2.3
145.12231	22.4
146.12573	0.6
159.02892	2.0
195.46735	0.7
217.98636	0.7
260.56018	0.7
316.71631	0.7
410.11270	0.8
411.18713	1.0
423.66138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.0
56.05029	3.7
67.05503	10.7
69.03428	4.0
69.07059	6.8
69.22359	11.0
69.22775	7.7
70.18533	2.6
71.04977	8.4
79.05481	12.3
81.07040	14.8
81.21452	2.9
83.08598	4.0
85.02891	10.3
85.06548	3.3
86.09705	11.7
91.05473	8.2
93.07016	14.0
95.08606	8.6
96.11469	3.2
96.58429	2.7
97.06510	7.3
105.07024	6.4
107.08604	7.6
108.47435	2.8
109.10150	5.7
111.07983	3.0
117.05433	3.1
119.04932	9.8
120.08090	11.9
121.02855	11.1
121.06483	2.9
125.06015	3.8
127.11187	3.7
133.04994	3.3
133.10097	7.2
135.11684	24.9
145.02814	6.4
149.13264	4.5
153.12746	9.5
159.11699	5.4
161.13165	3.7
169.13347	5.5
177.12708	8.6
181.06342	4.1
193.90871	2.7
195.13789	16.3
197.97627	2.8
209.89145	2.9
210.06734	4.5
213.14835	8.4
217.59830	3.1
227.10962	3.0
231.15921	3.7
237.05626	3.2
254.05745	12.9
255.06528	3.9
273.03119	51.0
289.02643	11.3
299.00876	12.6
301.14246	3.6
375.17789	3.1
379.02194	26.8
392.20209	4.1
392.99017	5.3
393.03711	64.9
393.08139	2.5
409.38251	3.0
410.12234	3.9
411.04684	7.8
411.19873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
57.07071	3.7
57.93559	0.8
65.77293	0.5
67.05489	2.4
69.07065	2.4
71.04970	0.4
71.08610	0.4
71.42848	0.4
78.03435	1.3
79.05488	2.3
80.05009	4.5
81.07056	3.3
83.08617	0.7
91.05479	1.8
93.07034	3.1
94.91268	0.4
95.08601	5.7
96.04483	2.8
97.06486	0.5
102.95660	1.0
105.07018	5.3
106.02905	1.8
107.08601	4.0
109.06514	0.6
109.10164	2.1
117.07005	1.3
119.08579	5.6
121.10139	3.9
121.59463	0.4
123.11665	1.3
124.03944	100.0
124.68580	0.4
125.04289	1.9
125.98526	0.6
127.01592	0.5
128.55168	0.5
129.06975	0.9
131.08565	1.8
132.00826	2.5
133.10149	3.8
135.11688	1.7
135.96625	1.1
143.08572	2.3
143.95837	0.6
144.00845	0.5
144.96666	1.4
144.97812	3.5
145.10104	3.4
146.10536	0.5
147.11693	4.6
149.13272	0.9
150.96831	0.5
152.96918	2.0
157.10147	2.5
158.10684	0.4
158.99377	1.0
159.11674	3.1
161.13226	2.3
161.96960	3.9
162.94167	0.5
169.10146	0.5
170.96895	0.6
171.11655	1.8
173.00964	0.6
173.13264	2.5
174.01837	1.6
175.14821	1.9
183.11526	0.5
185.13181	2.4
187.14784	2.6
189.16371	6.1
190.16881	0.6
191.17929	1.4
195.03003	1.1
197.13350	0.6
199.14784	3.3
201.16380	1.5
202.98308	1.2
203.17986	2.8
213.04027	2.4
213.16362	2.7
216.96358	1.3
216.99872	0.6
226.01189	0.6
227.01941	3.4
227.17885	1.4
234.00308	0.7
238.97270	0.4
239.99216	0.6
241.19574	0.7
252.99159	0.5
255.01511	0.5
268.02109	0.6
269.22604	7.4
283.04599	18.4
283.97311	1.1
284.04962	1.0
287.23724	0.9
368.02911	1.6
392.25977	2.5
410.04181	0.6
410.26462	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	410.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.3
57.07072	40.5
57.09380	1.0
67.05500	2.2
69.07056	1.7
71.08626	26.6
72.89818	1.1
73.06557	4.8
79.05512	3.2
81.07047	8.9
84.96439	1.0
85.10175	21.5
87.04471	2.5
89.06026	100.0
91.05470	6.1
91.79039	1.1
92.05790	1.8
93.07027	6.8
94.07377	1.9
95.04976	4.6
95.08618	5.2
97.06549	1.7
97.10165	3.9
97.39505	1.3
99.11730	3.5
105.07012	14.4
106.07367	3.6
107.07095	1.5
107.08602	3.7
109.10147	2.1
117.05274	1.6
117.07043	2.9
119.08586	7.4
120.08905	2.5
121.06530	1.8
121.10128	2.7
123.08041	1.7
124.03944	3.7
129.07057	1.5
131.07370	1.5
131.08560	3.0
132.07652	1.1
133.08594	52.0
133.10146	4.3
135.11777	1.4
136.08508	1.2
142.07813	2.1
145.02602	3.5
145.10126	3.8
146.02910	2.2
146.10513	2.0
147.07988	2.1
147.11708	5.0
148.12022	1.3
151.07494	2.3
151.09660	3.4
153.16936	1.1
155.17934	3.8
157.10091	2.9
159.11676	3.7
159.93620	1.2
165.09114	3.2
171.11696	1.4
173.13197	1.9
175.11191	2.1
176.11475	1.8
177.11218	12.3
185.13289	1.2
186.05272	10.4
187.05586	7.8
187.14804	2.5
195.12302	2.4
199.20625	3.7
201.16298	1.2
206.08067	2.2
206.10837	1.2
207.08411	2.6
211.14822	1.2
213.16290	1.3
221.15327	3.7
222.15665	3.1
239.14883	25.3
243.23204	4.6
287.25793	2.9
305.26779	1.6
349.29645	1.7
393.32065	25.4
393.37198	1.8
410.27609	6.6
411.28717	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	411.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99057	0.7
69.39555	2.6
69.39962	1.4
84.08147	1.1
86.09704	1.1
93.14185	0.7
120.08086	0.9
123.11766	0.7
139.10793	0.7
162.02916	1.8
167.03075	0.9
173.90950	0.8
193.10919	0.7
227.05319	3.2
235.04927	1.0
239.11345	1.4
271.04288	4.7
289.42230	0.9
325.08908	5.7
333.46802	0.7
349.08688	1.4
352.19943	1.5
367.09970	39.3
368.10263	1.7
369.24689	0.7
411.08923	100.0
412.09317	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	411.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55610	5.7
54.56575	6.6
66.72164	6.0
69.03425	11.2
70.06584	23.5
71.31887	6.3
72.08137	14.1
84.04510	10.3
85.02888	12.5
87.28325	6.8
103.17977	8.0
103.63605	6.5
121.02856	46.8
121.64040	6.6
127.03927	10.0
128.00804	9.1
136.06181	22.5
163.03801	7.5
174.58270	6.8
211.90395	6.3
252.89883	11.7
381.12375	8.3
411.12653	100.0
411.17822	15.4
411.22137	21.3
412.12253	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	411.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	0.3
69.03361	0.2
69.85931	0.2
70.06580	0.3
74.57079	0.2
80.04987	0.3
85.02875	0.4
85.05824	0.2
91.05499	0.2
96.62867	0.2
103.05460	0.3
105.04515	2.5
107.06078	2.2
109.04025	0.3
116.15859	0.2
119.06062	5.0
120.04549	0.3
121.03961	0.5
130.08635	0.5
131.04895	1.0
133.03177	0.3
133.03996	2.4
135.05536	2.1
147.04463	0.5
147.05521	3.2
149.09587	0.3
151.04999	0.9
161.03362	0.4
163.05014	0.4
175.05032	8.0
176.03436	3.2
189.02832	0.5
203.04504	23.7
204.02902	1.3
204.04819	1.0
217.02464	1.6
231.03992	100.0
232.04305	4.3
249.05083	2.4
259.03497	51.5
260.03867	2.0
277.04465	1.2
291.06107	14.8
292.06439	0.9
309.08795	0.3
351.09711	12.2
352.09775	0.4
379.09247	18.5
380.09546	1.3
411.11844	14.7
412.12390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84870	0.2
55.42218	0.3
55.90105	0.2
57.03412	0.5
58.03516	0.2
65.42762	0.3
67.46217	0.3
68.99795	0.4
69.61913	0.4
69.62263	1.0
70.06585	0.5
77.70613	0.2
80.05038	0.4
85.02897	0.4
93.52901	0.3
103.03947	0.2
103.05462	0.6
105.04508	2.5
105.06977	0.5
106.50131	0.3
107.06050	1.9
117.05471	1.7
119.06059	4.8
121.03950	0.5
127.03900	0.3
131.04967	0.6
133.03964	2.4
133.06418	0.4
135.04570	0.4
135.05501	1.8
147.05521	3.2
148.03860	0.4
151.05019	1.0
161.03444	0.5
161.05984	0.4
163.03841	1.1
163.05031	0.7
175.05026	8.2
176.03458	3.1
176.04988	0.5
178.06235	0.5
184.31905	0.3
189.02930	0.5
193.08589	1.1
203.04498	20.8
204.02916	1.7
204.04868	0.9
217.02480	1.4
229.02667	0.3
231.03990	100.0
232.04289	4.1
249.05049	1.9
259.03500	49.0
260.03824	2.4
267.12161	0.3
277.04507	1.2
281.09183	0.3
285.00833	0.3
291.06082	16.0
292.06238	0.5
331.07999	1.1
351.09732	11.9
352.10110	0.7
378.04242	0.3
379.09225	17.3
380.09540	1.2
411.11847	12.6
412.12317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27089	1.2
69.06982	1.0
75.73851	1.0
78.53645	1.0
80.56950	1.1
97.81736	1.0
118.45316	1.4
143.60703	1.2
157.07724	1.0
162.02946	1.7
170.05026	1.1
185.04210	2.8
189.05150	6.1
225.52673	1.0
227.05168	1.9
239.11409	1.2
248.06590	2.9
249.07309	11.5
271.04260	3.5
311.71683	1.3
325.08875	5.3
352.19852	1.8
367.10007	29.3
368.10318	2.2
411.08621	51.0
411.12628	100.0
412.08841	3.5
412.13745	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	411.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96128	0.5
52.30946	0.6
52.67498	0.5
54.62205	0.6
55.05513	6.6
56.05838	2.5
58.99577	1.5
60.99155	3.3
69.03433	0.7
70.06563	1.3
78.01795	0.9
83.08613	7.3
84.04499	5.1
84.08099	1.1
84.08950	3.9
85.02902	0.7
85.04814	1.3
86.09690	1.2
86.99039	0.6
88.98637	2.8
89.69304	0.6
90.01785	1.1
98.23422	1.7
116.01658	3.3
117.02013	0.6
117.04839	0.6
118.01247	9.4
118.02059	0.9
119.01577	2.7
119.05982	0.5
120.08131	0.9
129.06621	0.7
130.04950	1.5
144.01123	0.6
145.01529	0.8
146.00706	4.2
146.01672	0.7
147.00998	0.9
154.04996	1.7
159.08430	1.8
160.08684	0.7
161.07974	2.9
162.02188	4.3
162.08308	2.7
163.02423	2.0
163.03755	0.8
164.01688	12.6
165.02094	5.5
185.04207	0.7
203.05261	1.3
215.68164	0.8
217.10857	0.7
228.03801	0.7
239.11423	1.1
260.65137	0.6
263.11603	0.8
264.10699	2.9
265.11081	6.8
282.13806	1.9
336.14847	3.1
352.19366	1.0
367.12634	1.6
411.12506	100.0
411.22025	3.6
412.12729	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	411.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79985	0.6
53.39040	0.7
55.58654	0.6
67.01861	3.7
68.99787	1.9
69.23746	3.4
91.05516	1.7
95.04962	0.8
103.05472	6.6
105.07021	0.8
115.05432	1.0
118.06534	1.3
130.06528	86.5
131.04926	8.6
131.05952	1.2
131.06873	1.9
140.03441	2.9
141.28297	0.6
142.06509	5.9
155.06000	1.6
156.06825	2.3
157.05263	0.6
158.05962	1.4
160.50381	0.7
162.01874	2.1
166.06522	1.1
168.08116	0.9
169.07623	6.1
170.06061	1.0
178.01402	1.4
181.07591	2.1
183.09207	1.7
184.07617	0.8
185.07089	6.5
190.01346	15.0
193.07605	23.9
194.06006	0.9
194.07921	0.8
195.09129	0.8
197.07138	2.3
205.07619	6.2
208.02400	33.1
209.02840	0.9
209.07146	0.9
211.08623	1.8
213.06558	3.0
215.08226	0.8
216.02940	2.2
217.01300	2.0
217.03250	0.7
217.07713	0.9
219.05580	1.9
221.07126	6.3
223.08641	1.2
233.07158	0.7
234.05476	1.5
237.06610	3.5
238.07333	0.7
239.08110	1.7
249.03990	1.7
251.08156	1.0
252.06665	0.8
261.06573	17.4
262.04886	1.0
263.08112	2.7
265.06113	3.6
278.04510	2.4
279.07645	11.7
280.06018	2.6
289.06061	39.8
290.04160	0.9
294.07556	8.8
306.37466	0.7
307.07111	22.8
323.11942	0.9
325.08350	3.4
350.59433	0.7
351.11157	1.0
365.12958	1.2
382.10699	0.8
384.12616	0.8
393.12131	4.0
411.13376	100.0
412.13672	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	411.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41880	0.6
67.01869	2.5
68.99795	1.8
69.70815	0.6
69.94483	2.0
70.06578	0.7
71.03939	0.7
81.11691	0.6
91.05479	1.0
95.04977	0.9
98.23484	1.0
98.54911	0.6
103.05474	6.2
105.07036	1.0
111.75326	0.6
115.05488	1.1
118.06544	0.8
120.45692	0.6
121.02856	1.0
122.02494	0.7
125.11392	0.7
130.06523	78.7
131.04930	10.9
131.05986	1.0
131.06931	2.2
140.03442	2.9
141.64696	0.7
142.06519	5.6
149.02373	0.7
155.06073	1.2
156.06870	2.9
158.06117	0.7
162.01889	3.3
164.92331	0.6
168.08139	0.7
169.07611	5.0
170.06093	1.0
177.05693	0.6
178.01370	1.7
181.07639	2.1
183.09206	1.8
185.07106	6.1
190.01338	10.7
190.02870	0.8
192.06862	0.7
193.07607	21.6
194.06059	1.7
194.08040	0.8
197.07108	3.0
205.07626	5.9
206.06163	0.9
207.02882	1.0
208.02403	29.9
209.02779	0.9
209.07127	1.7
211.08673	1.5
213.06599	2.6
216.02873	3.0
217.01364	2.3
219.05653	2.5
221.07117	5.8
221.67583	0.7
223.08769	0.9
231.92285	0.7
237.06540	3.2
239.08214	0.9
249.03981	1.3
251.08121	0.9
261.06592	17.2
262.07260	0.8
263.08261	2.6
265.06174	2.9
265.30630	0.7
278.04590	2.7
279.07626	11.2
280.06119	2.7
289.06076	38.3
290.03979	0.9
290.06732	1.7
294.07626	7.9
295.12061	0.8
307.07129	21.4
308.08505	0.9
320.09003	0.8
325.08044	4.6
351.11322	1.0
353.10162	1.2
375.32489	0.8
383.10995	2.5
384.12057	1.0
393.12070	3.7
411.13486	100.0
412.13928	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	411.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18490	0.5
70.53926	1.1
81.07026	0.6
91.05476	0.8
93.01826	0.5
121.02863	1.3
153.01820	4.6
154.02132	0.9
155.02260	1.0
180.97845	0.6
181.01279	2.9
182.01630	0.8
195.02875	2.3
199.02344	4.6
200.02673	1.1
201.02821	1.0
218.55704	0.6
231.06250	2.4
243.06465	1.0
253.04900	0.9
259.05811	3.3
268.41675	0.7
271.06006	6.1
272.06168	1.5
273.07202	8.4
285.07642	0.7
286.08145	1.0
291.08295	7.5
299.05481	34.4
300.05853	6.5
301.06061	15.4
301.10519	1.9
302.06381	1.0
303.11209	0.8
303.29675	0.7
309.09290	2.3
313.07129	2.1
314.07730	4.5
315.07736	1.7
316.08231	3.1
329.10153	51.5
330.10614	5.2
331.10760	26.4
331.14822	1.0
332.11014	1.3
351.08072	1.1
351.12006	9.3
379.11536	18.8
380.11862	1.8
393.13013	7.4
411.06146	11.3
411.14093	100.0
412.05969	0.9
412.14444	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	411.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.7
69.57257	1.4
91.05465	1.0
98.22725	1.1
121.02854	1.7
153.01828	3.6
154.02199	1.1
155.02292	0.8
181.01353	3.2
182.01741	1.0
183.01677	0.9
195.02882	1.7
199.02356	4.2
200.02809	0.7
201.02808	1.1
231.06287	2.5
243.06561	0.7
246.05969	0.6
259.05887	3.0
271.06000	6.4
272.06235	1.4
273.07175	7.6
291.08383	8.6
296.06537	0.8
299.05478	32.9
300.05798	6.5
301.06052	17.9
301.10739	1.5
303.11102	0.7
309.09433	2.8
313.06931	2.3
314.07736	5.4
315.07883	1.6
316.08600	3.2
327.08569	0.7
329.10175	42.9
330.10507	5.6
331.10757	25.4
332.10779	1.5
351.11972	9.2
361.10333	0.8
379.11523	20.5
380.11536	1.1
393.12997	8.1
411.06122	10.9
411.14093	100.0
412.05975	0.8
412.14426	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	411.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99736	0.5
67.81062	0.5
69.03387	0.5
70.42069	0.5
71.43976	0.5
81.03426	0.5
85.02923	0.7
102.22081	0.5
121.02822	1.5
186.06429	0.5
217.97699	0.5
227.27507	0.4
231.06248	2.8
259.05768	4.8
273.07300	6.2
291.08340	8.0
292.08585	0.7
297.07608	1.9
297.29187	0.5
309.09479	1.4
351.11957	8.2
352.12308	0.7
361.10297	0.9
365.06653	0.7
367.08109	1.4
379.11487	41.7
380.11807	3.6
393.09421	0.8
393.13297	5.8
394.13333	0.7
411.14133	100.0
412.14383	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	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19203	0.4
54.41740	0.4
70.25472	0.5
70.25811	0.7
82.35052	0.4
85.02901	0.9
103.05453	0.6
128.23378	0.4
131.04945	1.5
165.15697	0.4
171.21185	0.4
237.12085	0.4
249.11005	1.1
310.48285	0.5
327.43698	0.4
352.19363	0.4
411.16217	100.0
412.16559	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	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35475	0.5
59.42778	0.4
69.03429	0.9
70.06593	1.1
70.79342	1.0
81.03424	1.8
82.06570	0.5
85.02922	2.1
85.04094	0.4
87.00833	1.2
107.04977	0.7
117.10681	0.5
127.03918	1.0
145.04973	0.7
151.03937	1.2
159.02843	0.6
163.03903	4.5
201.03720	1.2
203.05234	3.2
275.10373	0.6
295.03494	0.5
347.80988	0.5
352.19891	0.5
411.19992	100.0
412.20541	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	Flumethasone
Peak:m/z	Relative Intensity
53.01318	0.3
53.03957	0.5
54.16235	0.4
58.87615	0.3
59.39262	0.3
65.95477	0.3
69.03438	1.2
70.06609	1.1
71.05015	0.3
81.03418	2.3
82.06587	0.5
85.02898	2.3
86.09705	0.4
87.00856	1.1
91.05525	0.6
93.07114	0.4
97.02900	1.2
99.04453	0.6
105.01842	0.7
107.04990	0.6
108.08095	0.7
109.02910	1.0
117.03397	0.4
127.03893	1.9
135.04456	1.0
145.02847	0.7
151.03902	2.2
159.02963	0.7
161.83876	0.4
163.03911	6.1
163.05151	0.7
182.17670	0.3
201.03732	1.2
203.05278	4.9
231.10063	0.8
231.13821	0.4
239.11417	0.5
275.10461	1.2
352.20178	0.4
411.20074	100.0
412.20462	6.6
419.41388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28360	1.1
60.05656	1.4
65.03926	3.0
66.41938	1.3
68.63746	1.2
70.49905	2.5
91.05439	1.2
110.29934	1.3
121.02898	2.4
124.08113	1.3
130.06531	3.4
131.04869	1.7
135.04359	1.1
149.02347	2.5
159.60522	1.4
197.18091	1.2
207.02890	5.6
208.02341	1.6
216.02916	9.5
217.01247	9.9
235.02362	2.3
248.05658	1.4
249.03993	4.1
250.61943	1.4
265.71606	1.2
266.31247	1.5
289.06250	1.6
307.07120	2.1
308.08810	2.7
320.09238	3.0
348.28958	1.7
352.08273	2.0
353.10233	3.5
380.12280	3.0
411.13318	5.1
411.28680	100.0
412.14828	4.0
412.28995	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	411.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
51.25549	0.5
54.15747	0.5
54.36855	0.5
55.05501	2.8
57.07063	1.9
61.46126	0.5
65.03926	4.0
67.05160	0.8
67.05499	10.7
69.03423	1.3
69.07059	3.7
71.08620	1.3
79.05482	8.1
81.07048	17.1
83.04382	0.5
83.04967	1.5
83.08625	0.8
84.15100	0.5
85.10183	0.8
87.04456	12.7
87.04945	1.0
89.06020	0.7
91.05466	9.0
93.07035	13.7
95.04957	100.0
95.08590	14.5
96.05274	2.0
97.06553	1.1
97.10175	0.8
105.04503	0.7
105.07015	15.1
107.04951	0.6
107.08587	13.7
107.09333	0.6
109.06509	11.7
109.10143	7.0
115.05450	0.6
117.07005	3.6
119.08566	11.5
121.06514	3.9
121.10136	7.3
123.08043	1.1
123.11713	3.0
124.03962	1.5
128.06203	1.0
129.07002	2.8
130.07759	0.6
131.08540	7.6
133.08598	1.1
133.10109	9.3
133.15012	0.6
133.67603	0.5
135.08067	3.4
135.11655	3.2
137.09586	0.9
137.13239	0.6
142.07739	1.6
143.08540	6.2
144.09328	0.7
145.06519	1.3
145.10121	8.7
147.08025	1.7
147.11661	5.3
149.09590	1.5
149.13245	2.5
151.07567	0.6
155.08563	2.0
156.09349	1.3
157.10085	4.9
159.08055	2.1
159.11682	7.3
161.09566	3.0
161.13255	3.4
163.11198	1.0
163.14835	1.3
169.10101	3.0
171.08017	0.7
171.11667	3.5
173.09618	2.5
173.13300	3.9
175.11093	2.6
175.14774	2.9
181.10110	1.0
183.11693	2.3
185.09647	1.6
185.13257	3.9
185.14696	0.7
187.11154	1.0
187.14784	3.8
189.12747	1.1
189.16356	0.8
195.11719	1.9
197.13289	2.3
199.11281	1.2
199.14772	2.8
201.12714	1.1
201.16345	2.8
203.14307	1.3
207.11594	1.1
209.13339	1.3
211.14812	1.3
213.12799	0.8
213.16354	2.3
215.14291	1.7
215.18002	1.0
217.16048	0.6
223.14874	1.1
225.16383	1.7
227.14294	3.0
227.17960	1.6
229.15793	1.4
229.19424	0.7
235.14888	0.6
237.16418	0.8
239.18002	0.7
241.15782	1.1
243.17471	4.4
243.21175	1.2
249.16493	0.6
253.19627	1.0
255.17639	0.7
255.21144	2.1
263.18100	0.9
265.19376	0.8
267.21024	0.7
269.22733	1.2
283.20499	1.8
287.15997	0.6
295.20798	0.9
309.22186	0.7
323.27411	0.8
333.25653	2.8
351.26770	11.0
352.26968	0.5
393.27954	0.7
411.28824	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	412.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20652	1.1
66.49533	0.8
69.03432	2.1
70.06583	1.6
71.41548	1.2
75.59429	0.7
81.03393	4.6
84.62244	1.0
85.02896	3.0
87.00793	1.0
91.05459	1.2
97.02888	2.3
105.01874	2.4
109.02876	1.4
124.03722	0.9
127.03914	1.8
131.04897	1.3
171.08069	2.7
182.11790	1.2
189.98660	1.5
233.08064	1.4
238.06992	1.2
244.02242	1.0
246.03764	4.3
250.10963	1.1
264.04868	4.7
265.50720	0.9
282.05875	10.3
290.02710	7.3
308.03745	100.0
309.04092	3.3
326.04828	1.7
332.08734	4.3
350.09906	7.8
352.19525	1.0
368.11017	9.7
376.07742	3.1
394.09042	1.5
411.20499	4.4
412.10031	86.8
412.15802	3.0
413.10352	5.6
414.24805	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.1
53.09034	1.5
65.03934	2.5
68.99815	1.6
69.09502	10.3
70.06583	2.5
86.09721	1.5
91.05491	3.1
103.05462	7.2
104.06326	1.9
113.71444	1.8
121.02773	1.8
131.04921	20.3
134.02426	3.2
135.00711	2.4
138.01807	2.2
146.02348	2.1
149.01097	13.3
149.02260	2.7
150.01849	7.3
162.01852	2.6
166.01321	3.1
166.05006	4.5
174.01840	3.1
176.03387	3.2
177.00571	5.3
178.01349	100.0
179.01692	2.6
180.02946	2.2
194.04500	3.7
195.01663	5.8
202.01350	4.8
204.02892	6.1
206.00851	40.1
207.02895	4.5
216.02930	8.8
216.07091	1.7
217.01274	7.8
220.02388	3.8
223.74895	1.9
224.01833	2.1
230.00772	14.4
232.02724	1.9
234.00333	4.4
235.02422	2.1
239.07042	6.2
240.06731	2.5
248.01884	32.3
249.03859	2.7
250.03461	2.1
262.03568	2.2
266.02939	8.0
276.01389	16.3
280.05890	5.5
281.06827	15.2
282.04459	2.8
282.07587	52.8
283.07928	2.8
290.02954	8.7
294.02368	2.3
306.07474	2.1
308.04010	16.2
308.08817	4.5
310.07059	16.7
320.09048	2.1
324.08554	2.0
334.07135	15.3
336.08762	2.5
338.06558	49.4
339.06903	2.6
342.09656	7.3
352.07986	7.6
353.10339	2.8
355.06851	8.6
356.07556	8.2
362.06671	11.0
366.09628	4.1
369.08200	7.6
370.09189	12.3
380.07779	14.8
380.12051	2.9
394.09253	19.1
412.15250	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	412.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71668	0.4
51.81012	0.3
57.07090	0.4
62.88063	0.4
65.03923	0.4
68.99783	0.5
71.20892	0.4
87.91846	0.3
91.05469	1.5
91.61470	0.3
93.03370	0.3
93.41360	0.3
95.01316	1.1
102.21007	0.4
103.05479	2.9
114.79148	0.3
115.05451	37.8
116.05759	1.1
121.02852	0.8
129.06987	0.6
130.06493	1.0
131.04924	10.9
132.05219	0.5
136.40205	0.4
138.01863	0.9
142.06517	20.6
143.04883	0.6
143.06813	1.0
149.02254	0.5
154.06487	1.0
155.04906	0.9
156.08032	0.7
167.07327	0.7
168.04387	0.4
168.08057	2.7
168.36430	0.4
170.06006	15.1
171.06296	0.5
182.05986	1.4
183.04259	0.4
184.07570	1.1
196.07574	2.8
200.07094	0.7
206.06073	0.8
207.02922	1.0
210.05449	1.1
212.07137	0.7
216.02910	1.8
217.01321	1.3
224.07045	4.1
238.04965	11.7
239.05296	0.6
249.03703	0.7
251.05673	0.4
252.06549	5.4
256.06024	1.8
280.06030	100.0
281.06369	5.7
298.07089	0.9
308.05518	24.2
309.05884	1.0
320.09229	1.1
326.06561	3.8
342.11282	1.1
352.11545	0.4
353.10233	0.8
370.10376	0.5
380.12463	0.9
384.12164	2.3
412.11755	53.0
413.12100	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	412.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88588	0.7
60.05646	4.2
65.03930	4.1
68.99803	0.9
69.08883	4.7
70.06581	1.0
70.18750	0.6
72.05614	1.3
77.73718	0.6
89.48369	0.6
91.05501	3.8
93.03397	1.8
93.15057	0.7
95.01313	0.8
95.08615	0.6
103.05467	14.6
105.07053	0.8
109.28979	0.7
111.10954	0.8
114.01202	0.7
115.05457	34.3
116.05768	0.9
121.02867	5.4
129.07051	0.8
130.06488	1.8
131.04927	35.9
132.04416	0.9
132.05307	1.0
138.01808	1.2
142.06517	15.4
148.03885	1.8
149.02339	3.8
154.06525	1.1
155.04959	1.0
156.08092	2.2
161.02361	0.9
163.03812	0.9
163.05083	1.2
165.01866	1.2
167.03366	1.2
168.08112	1.5
170.06024	10.0
173.02437	1.0
182.05988	1.5
184.07611	1.4
189.01868	2.5
196.07616	1.2
207.02867	10.4
216.02899	16.3
217.01323	19.3
217.03058	0.9
224.07095	2.5
235.02350	6.3
236.02997	0.9
238.04944	8.1
239.05324	0.8
239.45224	0.8
248.05550	1.7
249.03931	13.8
249.82195	0.8
252.06575	3.1
254.07961	0.9
256.06079	1.3
258.69464	0.8
272.06665	1.7
276.06067	1.9
280.06046	53.0
281.06439	2.6
290.07721	1.3
298.07095	1.2
308.05563	1.4
308.08682	8.0
320.09198	3.7
321.07571	2.0
342.11301	1.1
344.10291	2.7
352.11765	4.5
353.10083	8.2
380.12335	5.9
384.12302	100.0
385.12628	11.7
394.13693	1.4
412.15381	5.1
412.33051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1503
Annotation	Altanserin
Peak:m/z	Relative Intensity
60.05646	28.9
61.82829	0.7
65.03936	22.3
67.05457	0.7
68.38042	0.7
68.99770	4.8
69.03403	1.2
69.54414	3.3
70.06574	2.1
72.05637	7.3
72.08139	1.5
76.00292	0.7
79.01819	0.8
84.08111	2.3
89.78716	0.7
91.05461	1.7
93.03395	14.0
95.04948	1.5
96.04475	3.4
98.23370	1.6
103.05434	1.9
105.03390	1.5
109.76376	0.7
115.12279	1.4
117.03314	0.9
120.04453	1.4
121.02859	30.5
121.03793	1.5
122.03182	2.3
131.04933	6.6
133.02832	2.1
134.30833	0.6
135.04404	0.8
135.05490	0.9
138.05431	1.2
142.32523	0.6
145.02809	1.1
148.03935	5.6
149.02333	33.8
151.03882	1.2
153.01802	6.1
153.05406	0.9
154.02161	3.2
155.02211	1.0
160.03857	0.8
161.02289	3.0
163.04987	5.4
164.03427	4.5
165.01797	8.0
166.04950	2.5
167.02185	1.0
167.03394	6.7
173.02301	3.9
177.05458	1.7
178.04976	0.9
179.03380	5.3
181.01328	2.9
181.04903	2.3
182.01610	2.5
187.05009	1.1
189.01814	8.9
190.04930	2.0
194.04471	0.8
195.02837	1.1
196.03233	1.6
199.02322	2.9
200.02719	4.1
201.02928	1.2
202.03157	0.8
206.04478	2.1
207.02869	34.9
208.07106	2.1
215.04517	1.0
216.02904	45.6
217.01303	100.0
218.01689	3.4
221.04344	5.0
225.03796	0.9
230.05318	1.4
231.04131	1.2
234.03955	6.0
235.02350	27.7
244.06813	1.0
248.05492	9.6
249.03929	81.9
250.04292	2.5
252.05014	1.5
253.03415	1.5
266.06470	0.7
271.05844	3.8
271.08533	1.0
272.06418	17.7
273.06873	1.7
273.09518	0.7
274.06815	3.2
276.06128	10.5
286.07690	1.3
290.07727	10.5
293.08124	1.6
297.07013	1.3
299.05472	10.2
300.05823	56.9
301.06046	8.4
302.06305	19.1
302.10938	3.1
304.11441	1.2
308.08737	45.3
309.09106	1.6
314.07455	4.2
315.08142	8.0
316.08096	2.6
317.08740	2.4
320.09137	5.7
321.07516	7.5
322.07904	1.2
328.09058	1.0
329.10117	2.4
330.10498	95.2
331.10703	8.2
332.11011	35.0
333.11459	1.2
333.39487	0.8
343.16446	1.8
352.11783	24.4
353.10123	53.1
354.10504	2.9
362.11176	0.8
376.12967	3.9
380.12381	3.0
394.13940	7.5
412.06177	20.3
412.14890	20.2
413.06000	1.7
413.15387	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05354	1.2
60.05649	22.0
64.73035	0.8
65.03941	17.2
68.99439	0.9
68.99790	3.4
72.05643	7.2
75.89423	0.8
83.20181	0.7
89.03950	1.0
91.05453	0.9
93.03397	13.4
96.04480	3.1
98.22600	1.6
114.80681	0.8
120.04436	2.0
121.02866	24.4
122.03174	1.6
127.53558	0.8
128.79112	0.9
131.04939	3.8
132.04413	1.3
133.02859	1.3
135.24026	0.9
142.29021	0.8
145.02835	1.5
148.03920	3.8
149.02338	27.5
151.03909	1.2
153.01836	3.6
153.05415	1.0
154.02122	2.7
161.02391	2.4
162.11417	0.8
163.05013	3.8
164.03412	5.2
165.01830	6.6
166.04970	1.6
167.03389	5.1
173.02316	2.1
178.04961	1.8
179.03403	2.3
181.01306	2.2
181.04959	1.5
182.01701	1.3
182.74208	0.9
183.01923	1.5
188.03410	1.4
189.01826	10.1
190.04889	0.9
196.03302	1.3
199.02435	1.2
200.02686	1.9
204.06769	0.9
206.04521	2.8
207.02869	24.6
208.07266	2.1
216.02910	43.5
217.01315	100.0
218.01643	3.8
221.04456	3.3
224.05522	1.1
234.04001	4.8
235.02367	18.3
235.04164	0.7
248.05437	7.3
249.03934	66.3
250.04285	3.0
252.05095	1.1
271.06055	1.7
271.91751	0.9
272.06473	11.8
274.06778	2.6
276.06216	6.8
290.07733	9.6
293.08084	1.4
299.05399	5.8
300.05826	35.8
301.06091	6.2
302.06332	10.3
302.10910	2.2
308.08771	31.5
308.11578	0.9
309.09167	1.5
314.07343	3.1
315.08041	5.4
316.08289	1.5
317.08716	3.1
320.09149	5.0
321.07629	5.3
329.10236	3.0
330.10504	55.3
331.10730	5.2
332.11060	17.5
352.11798	15.3
353.10172	34.1
354.10614	2.9
364.87439	0.9
376.13052	1.9
380.12393	1.9
394.13779	4.7
412.06207	9.7
412.14963	14.4
413.14880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15434	3.1
55.05507	27.8
57.03433	24.0
59.05001	7.4
61.02921	8.7
67.05505	3.6
69.03064	5.9
69.03426	88.6
69.07059	12.2
70.50430	6.7
73.02920	4.8
79.05472	4.2
81.03416	12.5
81.07058	4.6
83.08603	41.2
83.27310	3.4
85.02902	100.0
86.09674	4.6
87.04460	53.3
87.08094	10.2
95.08616	5.4
97.02895	67.0
105.01864	4.3
109.02857	6.6
115.03928	85.3
121.02839	9.8
125.09620	4.3
127.03939	22.8
129.09109	4.9
133.04958	99.2
145.04935	23.9
146.49544	4.2
147.10104	18.2
150.07602	9.9
163.06017	10.8
177.05534	3.8
184.21480	3.6
230.01682	4.4
292.07751	4.0
300.24319	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	24.7
61.02911	6.9
61.82043	4.3
62.43770	5.0
63.24503	4.3
64.33093	3.8
67.05508	4.7
69.03426	72.2
70.68761	9.1
73.02904	11.8
73.91331	3.9
81.03384	7.0
85.02901	100.0
86.09712	5.2
87.00789	7.4
87.04469	43.1
97.02896	64.9
104.10711	5.7
109.02883	10.2
111.11756	5.0
115.03924	72.3
127.03920	25.2
133.04955	94.3
145.04959	29.4
150.07631	14.1
163.06029	10.1
167.10669	6.9
172.36197	4.7
184.07344	7.3
197.11734	4.9
211.49266	4.5
231.04985	6.9
360.73795	4.7
412.19296	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	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42382	1.8
55.01873	7.9
55.05503	6.6
57.03433	16.8
59.04992	6.8
61.02927	17.4
63.05702	2.5
69.03425	36.1
69.07066	2.7
69.81984	7.2
70.06576	4.9
71.01363	3.5
71.04993	6.4
73.02914	75.3
81.03431	7.7
83.08615	4.0
85.02899	100.0
86.09721	3.7
87.04446	5.3
91.03955	5.1
91.05455	2.7
97.02892	61.7
97.03487	4.2
99.04465	5.3
100.07576	2.7
103.03925	2.5
104.10750	5.4
109.02869	13.2
111.08064	3.9
112.60018	2.3
115.03925	38.1
119.05056	2.7
119.08548	2.6
121.02876	6.8
124.99927	2.2
125.80453	2.1
127.03920	32.5
128.21738	3.0
129.09082	3.9
133.04958	35.6
133.10112	2.7
137.43156	2.4
139.07515	4.7
145.02965	2.2
145.04948	51.0
147.04410	4.2
150.07608	2.9
162.42163	2.0
163.06003	21.0
177.05463	2.0
184.07413	6.5
193.05009	2.7
210.14905	4.0
217.06975	2.7
223.06128	6.3
224.05682	2.1
227.12927	2.3
241.07257	6.2
254.05637	2.7
255.06438	3.5
259.08142	8.6
263.14972	3.0
273.96506	2.2
274.03418	9.6
275.02795	6.8
277.09229	3.2
295.10217	2.4
301.00876	2.9
327.95251	2.6
346.28513	2.4
380.02454	3.8
381.01526	2.8
394.04044	11.9
395.03415	8.9
412.18201	7.0
413.18143	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	412.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.05492	0.6
57.07067	0.2
58.06596	0.1
67.05494	0.8
69.07056	1.2
71.73213	0.1
74.43317	0.1
78.03436	0.6
79.04201	0.2
79.05475	1.2
80.05006	3.7
81.07045	2.9
83.08597	0.4
85.35170	0.1
91.05457	1.0
93.07033	1.7
94.07365	0.1
95.04951	0.3
95.08018	0.2
95.08591	3.0
96.04485	2.6
97.10165	0.4
99.18203	0.1
105.07025	1.9
106.02886	0.8
107.08577	1.6
107.11604	0.1
109.06505	0.2
109.10129	1.6
111.11721	0.1
117.06966	0.4
119.08565	1.5
121.10126	1.6
123.11692	1.2
124.03934	100.0
125.04266	1.8
126.65096	0.2
130.07834	0.2
131.08531	0.5
133.10115	1.1
135.11684	1.1
137.13217	0.8
145.10100	0.6
147.11693	1.2
149.13232	1.0
157.10088	0.3
159.11630	0.8
161.13231	0.7
163.14804	1.0
171.11629	0.1
173.13226	0.5
175.14799	0.4
175.80794	0.1
177.16412	0.4
187.14818	0.4
189.16408	0.6
190.08600	0.4
191.17921	1.2
201.16357	0.6
205.19550	0.3
215.17966	0.5
229.19421	0.2
245.22510	0.2
271.24203	1.1
276.15964	0.3
378.32346	0.2
391.37762	0.1
394.27383	1.3
412.28387	7.3
413.17133	0.2
413.29047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.30972	0.5
57.07055	0.6
67.05499	1.1
69.07059	1.1
70.19501	0.5
72.52626	0.5
80.05015	4.2
81.07042	1.4
83.04959	0.9
91.05450	1.1
93.07040	1.6
95.04982	0.6
95.08612	3.1
96.04501	2.4
105.07024	1.4
107.08563	1.5
109.10134	2.0
116.21743	0.6
119.08571	1.1
121.10134	1.6
124.03947	100.0
125.04276	2.2
133.10123	0.8
135.11769	1.2
147.11662	0.9
191.17952	3.4
260.54333	0.5
269.59354	0.5
351.71921	0.5
371.16177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56384	0.5
53.03952	0.5
55.05503	1.0
67.05479	0.8
67.82916	0.5
69.07053	1.4
78.03391	0.5
79.05494	1.4
80.04993	3.6
81.07047	3.5
83.08595	0.7
91.05458	1.1
93.07053	1.3
95.08599	2.1
96.04499	2.3
97.10172	0.5
98.23507	1.1
105.07027	1.9
107.08567	1.2
109.10150	2.1
119.08563	2.2
121.10133	0.9
123.11685	0.8
124.03944	100.0
125.04273	2.1
133.10144	1.5
145.10172	0.6
147.11673	1.4
149.13292	1.0
159.11697	0.9
161.13229	1.8
163.14801	0.7
173.13217	0.7
175.14857	0.6
189.16345	2.2
191.17958	1.4
201.16364	1.0
215.17877	0.7
271.24170	2.1
371.16409	1.1
394.27335	4.1
412.28348	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	412.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.2
55.05515	1.5
57.07060	0.5
60.88276	0.2
67.05497	1.2
68.24827	0.2
69.07061	0.9
69.89808	0.3
69.90131	0.4
71.08613	0.9
78.03444	0.7
78.56753	0.2
79.05493	1.0
80.05010	3.5
81.07052	2.7
83.08618	1.3
91.05481	0.7
93.07050	1.8
95.08607	3.2
96.04494	2.9
97.10163	0.8
99.08058	0.4
105.07013	2.0
106.02876	1.2
107.08577	1.8
109.10150	1.9
117.06970	0.2
119.08566	1.6
121.10114	1.4
123.11702	1.3
124.03941	100.0
125.04297	1.8
125.13297	0.2
131.08575	0.4
133.10167	1.2
135.11703	1.2
137.13268	1.0
145.10117	0.6
147.11661	1.4
149.13261	0.9
151.11172	0.4
159.11688	0.5
161.13231	0.7
161.85577	0.2
163.14798	1.2
173.13216	0.4
175.14853	0.9
177.16418	0.3
179.14311	0.3
187.14793	0.3
189.11168	0.8
189.16434	0.4
190.08594	0.8
191.17926	1.3
201.16364	0.6
203.17908	0.3
215.17920	0.7
229.19518	0.2
259.20612	0.3
271.24194	1.0
276.15887	0.5
277.21558	1.4
345.60773	0.2
394.27484	1.3
412.28577	2.6
412.44690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.0
57.07069	1.9
67.05489	4.9
69.03386	1.0
69.07066	2.9
70.32830	0.9
71.08622	12.0
71.44221	1.6
79.05487	3.8
80.05016	3.1
81.07035	7.5
83.08610	19.7
91.05448	2.5
93.07021	5.2
95.04930	1.1
95.08603	4.7
96.04494	2.5
97.06555	1.5
97.10174	6.0
99.08079	10.6
105.07025	4.9
107.08605	6.9
109.10154	2.2
119.08567	3.6
121.10108	3.3
124.03941	100.0
125.04272	1.6
125.09602	5.7
128.38660	1.1
131.08501	1.1
133.10129	2.6
135.11646	1.4
139.07472	1.5
147.11694	2.3
149.13231	1.8
151.11183	6.0
161.13252	2.7
163.11137	3.5
173.13199	1.3
179.14279	2.5
179.96051	0.9
189.11211	10.7
191.17938	2.6
192.66022	1.0
217.71043	1.0
231.28783	1.1
241.19576	2.0
253.18008	2.3
259.20526	3.4
277.21591	21.0
278.22064	1.3
295.22775	3.8
377.29941	1.1
412.28552	1.9
412.45242	2.1
413.32120	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	413.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85611	0.6
55.01870	1.6
65.03930	2.4
66.04724	4.6
67.01884	1.0
67.05517	1.1
68.02646	1.0
68.99474	0.7
68.99796	3.3
69.03419	1.6
69.70518	2.8
69.70863	0.7
73.02898	0.8
79.05480	1.5
80.02654	1.2
81.03414	1.7
82.04190	2.3
83.01339	2.3
83.04977	1.0
91.05489	1.3
92.02635	1.0
93.03387	2.5
94.04181	6.0
95.04978	2.6
97.02895	2.4
98.23324	1.0
103.05479	8.9
105.03387	5.2
105.07029	0.8
106.05314	2.6
107.01283	0.7
107.04954	1.4
107.06081	2.2
108.02084	4.0
109.02886	6.6
121.02857	11.0
122.03631	8.0
123.04414	2.8
131.04924	14.4
132.05710	0.8
133.02853	2.7
134.04790	2.5
135.04434	1.1
135.05511	2.0
137.02347	2.0
149.02347	8.2
150.03116	3.4
151.03922	1.7
161.02339	2.2
162.36113	0.7
163.03891	4.1
165.01851	3.0
167.03403	1.4
169.01347	2.4
173.02333	1.2
177.01831	9.1
177.06613	1.7
178.02614	14.2
179.03384	5.3
181.01328	8.3
188.37868	0.7
189.01811	4.5
191.03394	4.2
193.01349	6.8
195.02927	1.0
196.03674	2.0
199.02411	5.7
205.01347	5.4
206.02094	16.4
207.02847	10.1
211.02299	0.8
217.01344	6.2
219.02885	12.1
221.00772	8.2
223.02406	5.3
223.07405	1.1
225.03848	1.3
233.00774	1.2
234.01575	64.1
235.02327	22.6
236.02887	1.8
237.03922	0.8
243.06500	1.0
244.14720	0.8
245.00786	10.6
247.02344	14.4
251.06995	0.9
252.02635	36.9
253.02863	1.0
263.01849	9.3
265.03415	28.8
266.03729	1.1
267.06546	2.7
273.00253	8.2
279.06540	1.3
280.11960	1.4
281.03036	1.2
281.12811	2.1
282.28323	1.0
285.07498	5.0
291.01306	13.8
295.05936	7.6
296.06705	5.5
297.07492	5.0
307.06155	1.0
309.02368	16.0
309.07526	1.8
316.37195	0.8
321.07504	0.9
325.07120	1.4
327.08633	2.3
337.06790	1.4
338.07822	100.0
339.08304	10.1
349.07037	1.6
351.08679	6.0
367.08054	2.4
369.09662	30.9
370.10052	1.7
377.06723	3.8
395.07629	5.8
413.08688	5.0
413.13348	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	413.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	2.7
70.06582	3.6
96.47791	1.8
97.02894	7.1
101.00875	14.4
113.02406	1.7
119.01913	53.6
122.03627	3.9
131.01921	9.4
137.02954	13.2
137.05966	100.0
138.06285	2.1
143.01889	25.2
145.03511	2.0
147.01381	4.8
155.01878	8.6
161.02956	50.2
162.03058	2.5
171.01350	15.9
172.01474	2.0
173.02925	14.1
177.02498	1.6
177.03998	4.9
181.03424	16.1
189.02423	20.4
191.04033	3.4
195.05032	29.4
197.02963	20.3
199.00993	1.7
199.04575	4.4
203.04218	1.9
204.02716	4.1
213.02495	3.1
213.06067	3.4
215.04059	11.7
217.01999	2.7
217.82451	2.3
219.05006	24.8
222.03798	7.4
228.05058	1.5
231.05167	3.4
233.05013	3.5
237.06052	49.6
238.06319	4.5
247.04535	6.4
249.06062	4.7
251.04030	5.5
255.07127	6.9
259.02969	51.2
260.03168	4.1
265.05551	5.0
271.04501	3.7
275.41656	1.8
276.04718	4.5
277.04013	57.6
278.04282	3.3
283.06839	2.4
289.05499	4.6
291.07266	2.7
300.05603	2.2
311.06216	2.3
316.99109	1.6
317.05200	2.8
332.39841	1.4
335.06189	5.4
353.07162	2.0
371.08289	2.0
413.14188	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1211
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
53.35735	6.7
55.05505	8.7
59.52610	6.6
69.03424	10.9
70.06578	23.3
81.03404	12.5
83.04956	8.6
84.04513	6.8
84.08116	17.0
85.02888	11.3
85.39385	6.8
86.09669	10.1
97.02885	7.8
98.00478	7.4
99.46448	7.0
101.05967	16.4
117.03365	29.7
136.06189	9.6
145.02869	58.4
147.04480	8.4
148.07541	18.6
149.05963	9.7
151.03911	47.4
161.06430	6.9
162.03027	14.8
163.03929	8.6
163.09114	6.4
177.05450	85.1
179.33037	6.7
213.12384	11.8
219.06461	15.5
251.09067	37.5
256.92395	7.1
389.46298	8.2
413.12234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.123
Annotation	Steganone
Peak:m/z	Relative Intensity
53.03981	0.5
55.01877	0.7
65.03963	2.3
67.05521	0.6
68.99774	3.4
69.03432	3.9
69.65778	1.6
87.04505	0.6
87.48695	0.6
91.05479	3.4
93.07063	0.9
95.04961	1.7
97.02918	2.0
98.22660	1.3
105.07065	0.8
107.04993	0.7
111.04470	1.7
117.06986	0.8
119.04934	10.9
121.02861	72.9
121.03930	2.6
122.03222	2.3
131.04886	0.8
145.02838	7.7
145.06500	0.8
147.04398	45.9
148.04767	2.0
149.05969	0.9
159.04454	1.0
161.06053	1.8
163.03952	2.7
165.01857	2.2
169.01334	0.6
173.05923	0.7
185.04482	2.9
187.03929	1.3
189.05498	2.7
191.07048	1.1
193.01300	1.1
199.03882	0.7
207.06639	0.9
209.04558	0.7
209.08040	0.9
215.03456	1.2
217.04951	7.8
231.02936	1.0
233.04425	21.9
234.04744	0.8
235.06029	2.5
239.07104	0.9
245.04477	2.7
255.06589	2.8
269.04395	0.7
279.10297	1.0
281.04584	0.7
283.06021	3.3
283.09329	1.2
285.07510	7.2
297.11340	1.9
307.09619	1.5
309.07541	1.7
311.05746	0.9
311.09143	2.9
325.10605	0.9
335.09464	0.9
337.07117	1.3
337.10898	0.8
339.08524	5.6
353.10254	2.2
355.08221	1.1
363.08646	1.0
369.09695	6.2
381.09653	100.0
382.09982	6.8
385.12634	1.8
395.10989	2.3
413.12247	32.9
414.12402	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	413.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.0
66.50658	0.7
68.99789	7.3
69.03440	0.8
72.78558	0.8
80.43873	0.8
90.21509	0.8
91.05467	3.1
92.99766	2.2
96.93633	0.9
103.05451	0.8
105.07027	2.1
107.04951	1.1
107.94785	0.7
111.04457	1.3
115.05452	0.9
118.04132	1.5
119.04932	8.6
121.02855	44.8
131.04944	2.3
132.05714	1.8
133.06497	1.5
135.00777	4.5
136.98738	1.2
142.37503	0.8
144.05711	1.5
145.02835	23.3
147.04388	11.7
160.00323	0.8
160.05194	2.1
161.06035	0.7
163.03918	9.9
164.98224	1.6
167.03391	1.1
171.04347	1.4
172.05235	1.5
175.03911	1.4
177.05476	3.7
182.99242	4.5
187.03908	7.2
188.04662	5.5
189.05443	2.8
191.06955	4.4
199.03867	1.5
200.04755	1.9
205.01338	0.9
207.06540	3.0
208.65015	1.0
209.04599	1.1
215.07027	5.3
217.04950	2.6
219.06505	1.7
228.04224	1.6
231.02885	2.2
233.08047	1.4
235.05991	3.4
253.08611	1.3
255.02849	18.6
255.05791	1.6
255.06442	1.4
256.03644	4.8
259.05981	5.7
267.06589	4.7
269.08035	1.3
271.02350	2.7
282.08875	0.9
283.02341	100.0
284.02808	8.6
293.07928	1.5
297.07425	2.4
297.11166	2.7
301.03375	5.4
302.04178	18.2
302.07593	1.2
307.09558	6.1
309.07486	2.2
313.07129	2.6
316.05759	3.1
319.09811	1.2
333.11176	0.9
335.09061	11.8
339.08917	1.1
341.10187	4.2
345.07465	1.0
367.11832	2.4
369.09674	9.7
381.09647	32.8
382.09903	1.6
395.11127	1.4
413.12302	6.3
414.12683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.123
Annotation	Aklavinone
Peak:m/z	Relative Intensity
55.80292	1.1
58.48992	1.0
63.45926	1.3
65.03948	2.0
67.05494	1.1
67.45406	0.9
68.67294	0.9
68.99788	11.0
69.10691	0.9
69.11026	7.6
78.57117	1.0
79.01882	0.9
91.05483	4.2
92.99761	7.1
93.07063	1.8
95.04965	2.2
98.22730	2.6
102.90694	1.1
103.05480	2.0
104.41992	1.1
105.07049	3.1
107.04949	1.0
108.53351	0.9
111.04422	1.1
115.05445	2.1
117.06970	1.0
119.04930	13.1
121.02856	72.5
121.06503	1.6
127.02155	1.1
131.04904	5.4
133.06479	1.7
135.00784	6.5
135.04413	1.4
136.98692	1.2
137.02348	1.4
143.04907	2.0
145.02846	20.2
147.04445	4.5
149.05994	3.7
151.03902	2.3
159.04443	2.9
161.05988	2.5
161.72490	1.0
163.03900	11.7
164.98291	1.6
165.05473	2.3
166.91995	1.3
166.99783	4.8
169.01549	1.1
171.04410	4.4
173.06018	1.3
177.05544	3.0
179.03339	1.8
181.01334	6.0
182.99258	3.1
183.04424	1.4
187.00334	2.1
187.03903	10.9
189.01881	2.5
189.05420	8.0
195.08211	1.1
199.02383	2.3
199.03943	4.5
201.05534	1.9
203.03326	1.2
205.01331	3.4
207.02940	2.1
207.06522	8.7
209.04407	1.5
211.03897	1.2
213.01857	1.7
217.04977	7.3
219.02902	2.8
219.06461	1.9
227.03357	2.1
231.02824	5.6
235.06033	3.0
239.03372	9.0
239.07137	1.3
245.04507	3.7
247.28224	1.2
253.08659	3.9
255.02863	78.4
255.06410	2.6
256.03217	4.7
267.06479	9.8
269.04614	1.2
269.08063	1.6
273.03827	1.6
279.10168	2.7
280.10776	1.6
281.07935	1.6
282.08951	2.1
283.02332	18.3
283.09525	2.0
289.08572	1.8
290.09103	1.8
290.58191	1.1
292.07333	2.0
293.08002	2.2
295.05966	3.0
297.07568	5.7
297.11206	7.1
299.05472	45.0
300.05859	2.3
301.03403	100.0
302.03741	6.1
307.05969	11.4
307.09668	21.8
308.06598	1.5
308.10147	1.9
309.07565	4.7
310.08115	2.4
313.07129	4.9
315.05032	3.9
317.08005	3.4
318.08890	1.8
319.09677	2.9
320.06943	1.3
321.07635	1.7
325.10611	2.0
335.05402	1.5
335.09119	17.9
336.09656	1.9
337.07056	3.8
339.08707	2.5
339.12363	1.5
341.10226	15.5
345.07495	5.2
349.10605	1.8
351.12292	1.8
353.10349	1.3
363.08557	25.8
364.08731	1.7
367.11832	6.3
368.12396	1.5
369.09647	35.6
370.09937	2.4
377.10181	4.5
381.09613	14.4
385.12714	1.9
395.11160	29.3
396.11456	3.2
413.12292	17.6
413.20596	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	413.1416
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.60738	0.3
56.05032	0.8
61.45846	0.3
69.03430	0.4
69.28001	2.0
69.30651	0.4
70.06584	3.7
71.04993	0.9
72.08143	0.7
74.06062	2.3
80.71687	0.4
81.03408	0.4
84.08147	1.0
85.02926	0.6
86.09678	0.6
97.02905	0.5
98.22575	0.4
102.05544	0.7
113.06001	1.3
117.03373	0.8
119.03548	3.1
120.06570	8.3
136.06171	100.0
137.04536	1.4
137.06512	1.5
140.14461	0.4
145.02824	1.6
162.04092	60.2
163.04361	1.3
171.11264	0.6
177.05452	2.7
199.10822	0.5
213.12320	0.4
219.06395	0.4
223.38846	0.4
231.71478	0.4
251.09109	1.5
279.87241	0.4
281.09897	42.6
282.10098	1.8
298.17514	0.6
371.37042	0.5
394.04169	0.4
395.01410	0.8
413.14044	1.2
413.24405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41137	0.7
58.73404	0.6
68.96964	0.6
69.44398	1.3
69.44788	2.1
69.72026	0.7
70.06584	3.2
78.21200	0.6
90.94983	0.8
95.08617	2.5
97.02898	0.7
112.08736	0.9
119.01900	3.9
120.08107	3.6
137.02971	1.5
185.04239	2.4
205.04730	4.3
233.65735	0.7
235.05820	1.0
242.08830	0.9
245.05092	1.3
248.07680	3.2
250.08105	4.9
251.08913	8.4
266.08716	2.2
271.05984	0.9
353.07065	1.1
353.19788	0.8
371.14481	1.8
413.14172	100.0
414.14368	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	413.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31708	2.1
68.09010	2.0
69.40067	11.2
70.06583	22.9
75.47428	2.1
75.47900	1.8
93.07043	2.1
96.94081	1.9
101.00861	10.9
103.05448	6.5
103.38023	2.2
118.03490	15.1
119.01913	60.4
120.08096	100.0
131.04918	2.8
136.04544	4.4
136.06152	2.4
137.02953	18.9
151.19344	2.1
178.07140	4.4
202.07037	10.0
206.06636	21.0
216.07426	3.3
220.08141	3.1
221.06558	13.0
224.07629	13.7
239.07549	3.8
242.08690	18.4
244.13045	4.5
245.13168	5.3
248.07668	59.7
249.06036	3.7
266.08725	56.9
267.06906	2.7
289.12173	2.4
335.12320	6.7
353.13486	20.1
371.14508	64.7
372.14771	5.2
389.15802	3.6
413.14053	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	413.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31876	0.8
60.05626	1.8
60.25485	0.8
65.03944	1.2
66.52805	0.9
68.99795	1.1
70.00219	0.9
70.06583	1.8
93.03387	1.1
96.04504	1.4
117.89821	0.9
121.02850	1.4
131.04903	1.7
133.85492	0.9
156.37141	1.0
189.01755	0.9
191.03513	1.8
199.76886	1.0
201.61508	0.9
207.02977	1.3
208.03212	1.0
216.02893	2.4
217.01326	2.4
217.03207	2.1
218.01642	3.0
249.03931	1.4
250.04350	1.6
251.05420	1.1
308.08450	1.3
309.08951	2.2
309.99515	2.4
333.14426	1.1
335.68869	1.0
336.08740	1.3
353.12155	1.1
354.10486	1.8
381.12524	1.5
413.05453	4.4
413.30252	100.0
414.05786	6.3
414.16940	4.8
414.30630	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	413.3027
Annotation	Diospyrolidone
Peak:m/z	Relative Intensity
57.31876	0.8
60.05626	1.8
60.25485	0.8
65.03944	1.2
66.52805	0.9
68.99795	1.1
70.00219	0.9
70.06583	1.8
93.03387	1.1
96.04504	1.4
117.89821	0.9
121.02850	1.4
131.04903	1.7
133.85492	0.9
156.37141	1.0
189.01755	0.9
191.03513	1.8
199.76886	1.0
201.61508	0.9
207.02977	1.3
208.03212	1.0
216.02893	2.4
217.01326	2.4
217.03207	2.1
218.01642	3.0
249.03931	1.4
250.04350	1.6
251.05420	1.1
308.08450	1.3
309.08951	2.2
309.99515	2.4
333.14426	1.1
335.68869	1.0
336.08740	1.3
353.12155	1.1
354.10486	1.8
381.12524	1.5
413.05453	4.4
413.30252	100.0
414.05786	6.3
414.16940	4.8
414.30630	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	413.3026
Annotation	Diospyrolidone
Peak:m/z	Relative Intensity
52.67158	0.5
57.07069	4.4
64.36901	0.5
67.05511	0.5
69.03387	0.5
69.07046	0.6
69.89140	1.6
71.08630	8.9
72.04487	0.6
79.05479	0.6
81.07042	1.1
85.10179	5.7
89.06027	9.7
90.60346	0.5
91.05486	2.6
93.07037	4.5
95.04977	1.7
95.08620	0.8
96.39474	0.5
103.05418	0.6
105.06983	0.6
107.08578	0.7
109.10174	0.9
119.08591	0.7
121.06498	13.4
121.07330	1.0
124.03938	1.3
133.08606	4.2
133.10130	0.6
147.08052	1.0
151.38791	0.5
165.09102	6.9
170.50842	0.5
177.11209	1.4
183.10149	0.9
209.11751	2.1
227.12886	0.5
247.20531	1.0
271.15372	20.8
291.23169	1.0
309.52106	0.5
327.22861	1.0
397.29709	1.1
413.30240	100.0
414.30551	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	413.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	25.6
67.05502	49.9
69.07047	29.3
69.13109	48.9
79.05479	40.4
81.07050	86.7
83.04982	34.3
83.08652	8.4
84.45822	6.5
91.05487	58.8
93.07043	83.6
95.04961	96.6
95.08599	55.9
105.07021	100.0
107.08590	78.3
109.06499	25.0
109.10145	46.1
117.06972	19.8
119.08572	61.1
121.10134	38.8
123.11710	11.9
124.03894	8.7
131.08560	32.1
133.10109	61.8
135.11696	25.2
143.08527	19.2
145.10106	52.7
147.11688	39.7
149.13252	13.3
157.10094	34.2
159.11710	49.7
161.13242	25.5
169.10150	9.5
171.11647	19.5
173.13205	25.2
183.11536	7.2
185.13268	18.6
187.14792	23.3
197.13235	9.2
199.14882	14.2
201.16359	38.7
213.16312	10.8
215.18077	8.9
225.16347	11.9
255.20996	16.2
335.27106	17.0
353.28320	32.4
403.93942	7.3
413.30106	18.4
439.98047	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	413.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.2
58.23818	5.5
67.05498	53.0
69.00618	5.3
69.07069	30.8
69.26587	32.6
69.41125	5.6
79.05497	42.7
81.07053	88.9
82.07339	5.6
83.04993	36.5
83.08589	7.6
91.05476	47.9
93.07041	76.4
95.04966	71.8
95.08608	68.5
97.06535	12.7
103.05434	6.5
105.07022	100.0
107.08591	77.0
109.06491	14.4
109.10143	66.7
116.37831	5.9
117.07024	12.9
119.08582	53.2
121.06449	6.2
121.10138	45.0
123.08072	9.8
123.11708	14.6
129.06960	13.5
131.08580	38.9
131.46346	6.6
133.10121	63.6
135.07970	6.1
135.11714	21.5
143.08554	12.3
145.10100	57.2
147.11664	43.7
149.13232	18.4
155.08519	9.3
157.10110	21.2
159.11693	53.8
161.13248	25.9
169.10135	10.6
171.11638	14.6
173.13234	33.3
175.14815	19.4
183.11665	12.1
185.13237	8.1
187.14836	22.6
189.16376	13.3
197.13208	8.0
199.14790	16.1
201.16353	36.9
211.14784	8.2
213.16411	16.8
215.18034	9.3
241.19447	9.0
251.17682	5.6
255.21098	6.8
335.27277	20.1
353.28369	35.1
371.29675	6.9
413.30536	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.05508	12.9
57.07066	2.6
65.03935	3.9
67.05494	23.8
69.07066	18.2
71.43905	2.7
77.03939	2.8
79.05489	31.0
81.07051	63.6
83.04973	14.5
83.08617	7.3
91.05466	45.7
92.05789	2.6
93.07035	43.5
94.07349	2.4
95.04961	28.5
95.08600	43.7
97.06526	4.9
97.10152	4.9
105.07018	69.4
107.08585	48.4
109.06529	5.7
109.10144	24.6
111.08078	5.7
115.05492	2.4
117.06997	11.2
119.08570	47.4
121.06515	6.0
121.10135	29.2
123.08047	3.9
123.11711	9.2
129.06989	6.3
130.07779	3.6
131.08546	21.3
133.10118	39.9
135.08051	2.6
135.11687	12.4
142.07779	6.4
143.08522	13.5
144.09334	2.3
145.10104	32.3
147.11670	29.1
149.13255	11.8
155.08559	4.1
156.09219	3.1
157.10089	17.4
158.10870	2.2
159.11670	34.7
160.12065	2.4
161.13240	18.5
163.14835	3.4
165.12798	2.9
168.09355	3.0
169.10132	9.1
171.11629	12.3
173.13240	23.1
175.14793	8.2
177.16380	2.5
181.10023	2.9
183.11697	5.2
185.13237	12.2
187.14755	15.6
189.16396	4.8
195.11658	4.7
197.13258	9.4
199.14781	11.0
201.16383	17.7
209.13283	3.0
211.14789	5.3
213.16415	9.9
215.17941	6.6
223.14897	3.4
225.16306	5.1
227.17953	6.4
229.19519	6.5
239.18025	2.8
241.19574	3.8
251.17911	4.4
253.19232	2.4
255.21011	4.8
271.15454	2.6
293.22696	2.9
306.27808	2.2
335.27298	12.0
353.28336	18.7
371.29669	4.0
395.29230	4.5
413.30103	100.0
414.30679	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	413.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.4
52.62721	2.0
53.03939	5.6
53.16610	1.8
55.01877	2.1
55.05508	22.5
57.07062	4.5
58.12652	2.4
65.03936	3.3
67.05159	3.8
67.05499	47.5
68.05832	2.3
69.03408	3.3
69.07058	20.3
71.43376	2.1
74.01721	2.1
77.03928	4.3
78.00006	2.0
79.05483	56.3
79.06750	2.0
81.07053	97.0
83.04973	21.1
83.08606	7.8
85.06549	2.6
91.05470	69.7
93.07034	71.5
94.07372	2.7
95.04959	69.9
95.08595	67.2
96.05309	3.9
97.06512	7.0
97.10181	4.2
99.72031	2.4
103.05470	3.4
105.04507	4.6
105.07021	100.0
105.07737	5.3
106.07360	2.5
107.08584	89.3
108.08930	4.0
109.06498	14.1
109.10143	36.6
111.08065	5.4
115.05458	3.0
117.07005	18.7
119.08569	61.4
121.06502	2.7
121.10131	40.7
123.08059	9.8
123.11687	11.8
125.09599	2.7
128.06155	4.4
129.07008	7.7
130.07756	4.7
131.08559	36.5
133.10110	66.9
134.10529	3.9
135.07993	3.8
135.11661	21.1
137.05992	2.4
137.13242	2.1
142.07799	7.0
143.08560	17.7
144.09352	6.2
145.10115	54.9
147.11681	42.4
149.09639	3.0
149.13208	12.1
155.08527	7.0
156.09317	3.2
157.10095	24.8
159.11685	47.6
160.12155	2.6
161.13222	21.0
163.11124	4.2
163.14796	7.7
165.12807	3.2
169.10129	9.6
171.11630	19.3
173.13243	24.4
175.11227	2.6
175.14799	11.7
181.10095	2.9
183.11705	9.2
185.13258	14.1
186.13994	2.8
187.14809	15.1
189.16393	9.7
195.11702	5.3
197.13205	9.0
199.14810	16.5
201.16338	27.3
203.17923	5.0
211.14851	6.0
213.16362	12.6
215.18048	5.7
225.16440	5.9
227.17937	7.2
229.19489	6.6
229.79109	2.1
237.16353	3.8
239.17903	5.5
241.19505	6.8
253.19550	6.9
255.20988	10.5
257.22617	3.0
265.19363	2.5
266.20023	3.2
267.21066	4.7
267.27408	2.3
279.20956	3.9
293.22711	2.6
311.23608	2.5
335.27353	11.0
353.28378	27.0
371.29883	2.8
395.29395	7.1
413.30417	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	413.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	4.8
55.05509	24.7
60.05641	10.5
65.03948	7.2
67.05506	34.9
69.06744	4.5
69.07055	25.3
70.06564	5.7
79.05492	42.4
81.07050	100.0
82.89110	4.5
83.04974	19.2
83.08614	8.7
91.05461	46.1
93.07047	64.6
95.04955	40.9
95.08607	69.6
97.06528	12.7
98.22682	6.9
103.05433	7.6
105.07027	90.1
107.08588	85.2
109.06493	13.1
109.10139	33.0
109.23685	5.3
110.10435	5.3
111.08117	6.1
117.07017	19.5
119.08568	65.4
120.21030	4.0
121.02837	5.7
121.10154	31.7
123.08009	5.6
123.11691	10.0
129.07024	7.1
130.06532	28.3
131.04915	12.3
131.06873	5.5
131.08562	37.4
133.10132	61.4
135.08109	5.4
135.11676	27.4
138.01854	5.7
139.11194	5.6
142.07768	5.5
143.08553	19.6
144.09203	5.7
145.10097	51.8
147.11635	34.0
149.02339	8.5
149.13231	19.3
155.08594	6.6
157.10059	23.7
159.11659	58.4
161.13260	27.0
164.03427	8.6
169.10135	12.7
171.11714	23.1
173.13223	38.4
175.14824	12.4
183.11652	15.7
185.13239	18.0
187.14758	19.0
189.16420	8.0
191.01668	5.2
191.03310	5.9
192.02806	5.7
195.11644	9.0
197.13155	10.6
199.14775	15.1
201.16360	21.9
207.02870	6.2
208.03238	6.1
209.04514	9.8
209.13373	9.4
210.03928	13.2
211.14822	8.4
213.16296	12.3
215.17911	8.0
216.02950	11.8
217.01366	13.0
217.03259	10.0
218.01662	10.1
223.14709	6.1
225.16364	9.6
227.17931	14.2
229.19473	10.6
233.04689	5.5
239.17964	5.2
241.19418	7.2
249.03824	6.5
250.04262	7.0
255.21115	10.9
267.20926	8.1
270.38861	4.7
273.40732	5.1
287.85208	6.9
293.22006	5.4
295.24002	5.5
309.08795	20.9
335.27274	18.8
345.10660	5.9
353.28400	37.4
354.10419	10.5
381.12646	7.9
395.29254	6.8
413.09735	6.5
413.14569	30.2
413.30502	27.5
414.17010	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	413.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87651	2.6
53.03938	4.5
55.05504	30.8
57.07068	5.6
65.03937	5.7
67.05502	47.3
69.07061	22.8
79.05491	50.1
81.07056	100.0
81.84671	2.6
82.55189	3.0
82.56011	2.3
83.04988	20.4
83.08607	11.0
85.06540	3.1
91.05471	58.6
91.05988	4.9
93.07042	66.9
95.04964	59.3
95.08600	66.8
95.09216	3.7
96.12411	2.3
97.06521	11.7
97.10146	4.5
97.36884	2.4
100.01924	2.5
105.04532	3.8
105.07024	94.8
107.08592	82.0
108.08931	2.9
109.06509	12.6
109.10139	43.3
109.10873	3.1
111.08057	4.5
117.06995	18.4
119.08576	69.5
121.10143	41.6
123.08068	9.9
123.11711	12.2
128.06232	4.7
129.07004	9.6
130.07765	4.1
131.08560	38.5
131.89413	2.9
133.10118	68.5
135.08046	3.4
135.11676	22.8
137.13223	3.5
141.06949	5.0
142.07761	5.8
143.08549	24.1
144.09319	7.3
145.10124	57.8
147.11664	45.1
149.09659	2.8
149.13237	19.1
151.11186	5.1
155.08527	8.0
157.10110	25.9
158.10713	3.0
159.11688	56.3
161.13208	27.9
163.14798	7.6
165.12762	3.3
167.08549	3.0
169.10153	14.1
171.11678	23.3
173.13261	32.0
175.14819	10.5
177.16281	3.1
181.10159	5.3
183.11676	13.4
185.13229	23.5
187.14790	20.9
189.16339	9.7
191.14259	2.9
197.13274	13.2
199.14833	15.9
201.16364	35.5
203.17902	5.3
211.14832	9.7
213.16399	16.7
215.17984	7.3
217.15858	4.3
223.14758	4.0
225.16370	7.0
227.17888	7.4
229.19553	8.8
239.17976	7.2
241.19472	6.2
243.21039	3.8
251.18002	4.7
253.19499	5.9
255.21182	14.8
267.21179	5.7
269.22620	3.2
279.21024	7.2
311.23517	4.0
335.27371	21.6
353.28354	40.2
354.28674	8.1
395.29346	5.5
413.30490	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	413.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	27.5
56.10778	23.1
63.99515	18.3
67.05482	34.1
69.50250	100.0
79.05486	34.2
81.07030	66.3
82.78109	21.0
91.05453	29.6
93.07040	62.6
95.04958	64.4
95.08614	67.4
98.23505	27.2
105.07029	87.9
107.08590	73.2
109.10133	33.8
116.57907	22.7
117.06998	19.6
119.08611	58.1
131.08563	44.1
133.10136	54.2
135.11676	33.7
145.10097	47.1
147.11716	40.1
159.11659	45.4
173.08879	27.8
187.14792	27.5
197.92007	23.7
220.86160	23.2
353.28339	41.4
388.02106	25.8
413.30386	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57347	2.8
54.69595	2.5
55.05505	19.3
57.07079	5.9
61.11933	3.4
65.03941	4.1
67.05503	35.2
67.53839	3.0
69.07070	17.3
69.60867	11.6
77.03905	3.6
79.05483	38.6
81.07055	76.7
83.04977	5.5
83.08647	5.3
91.05479	58.8
93.07038	56.3
95.04942	14.5
95.08597	43.2
97.10192	3.7
98.22659	4.9
105.07020	100.0
107.08588	48.4
108.63838	2.7
109.06497	2.9
109.10155	28.6
111.08092	3.9
113.87659	2.7
115.05461	3.9
117.07027	14.1
119.08575	55.7
121.10138	29.2
123.11700	9.0
124.03947	3.9
128.06223	3.3
129.07005	6.0
130.07814	5.6
131.08543	29.1
133.10117	39.2
135.11693	14.8
142.07748	6.3
143.08531	21.5
144.09326	9.8
145.10124	46.0
147.11684	29.0
148.12041	3.5
149.09634	2.8
149.13289	6.2
155.08560	9.8
156.09325	5.8
157.10127	36.8
158.10939	5.3
159.11679	58.1
161.13272	30.5
163.14879	4.3
168.09364	4.5
169.10126	13.8
170.10793	3.3
171.11655	17.5
173.13248	35.8
175.14850	9.3
181.10158	3.3
183.11673	12.0
185.13255	15.6
187.14870	23.1
189.16393	13.4
195.11694	6.2
197.13255	9.3
199.14824	22.0
201.16394	27.2
202.17073	3.0
209.13275	7.2
211.14777	14.2
213.16318	21.5
215.17903	16.3
223.14790	6.3
223.70755	3.6
225.16464	9.0
227.17964	15.1
229.19376	7.2
237.16460	5.1
239.17935	3.5
241.19659	5.3
251.17905	3.5
255.21005	5.9
265.19394	3.3
269.22690	16.1
279.21127	5.4
292.84622	3.6
326.38971	3.2
335.27356	10.7
353.28287	31.0
413.30441	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	413.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04377	24.8
67.05501	39.9
67.59908	26.1
69.07055	28.0
69.12876	27.9
69.50844	80.9
78.66196	23.7
79.05491	60.8
81.07062	88.3
83.04974	32.8
84.55443	24.5
91.05512	59.3
93.07060	59.1
95.04977	81.2
95.08620	78.1
105.07034	100.0
106.35275	24.1
107.08594	60.7
109.10184	30.4
119.08604	54.9
133.10138	33.9
143.08510	40.1
145.10159	34.6
163.94360	25.0
168.30257	24.6
173.13248	26.3
338.89404	31.3
353.28650	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	413.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95196	5.3
55.05502	42.5
67.05497	41.3
68.62241	5.6
69.07069	32.1
79.05481	43.9
81.07056	95.0
83.04985	44.2
91.05478	45.6
93.07047	72.3
95.04971	80.1
95.08606	91.6
97.06499	12.1
105.07021	100.0
107.08583	86.9
109.06512	14.6
109.10127	38.2
116.25954	6.2
117.06991	17.7
119.08568	66.6
121.06545	8.1
121.10114	36.8
123.08051	11.4
123.11687	13.7
124.03942	34.5
131.08554	36.3
133.10132	72.6
135.11684	25.5
137.09587	9.6
143.08578	17.1
145.10103	42.5
147.11702	39.6
149.13260	25.3
157.10106	26.7
159.11670	47.0
161.13246	29.2
163.14781	7.6
171.11646	18.5
173.13271	30.1
175.14786	17.4
185.13252	20.3
187.14848	17.9
189.16293	7.1
195.62709	5.7
199.14847	20.7
201.16364	27.9
211.14854	9.8
213.16377	21.1
215.17914	8.5
239.81537	5.6
253.19434	7.7
255.21057	18.5
267.21082	7.2
293.22501	9.3
305.50366	6.0
335.27444	12.3
353.28217	36.7
413.30060	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60625	8.6
55.05515	24.4
55.78757	9.6
67.05502	51.8
69.07063	33.1
69.57791	11.5
72.93732	9.9
78.48417	11.8
79.05490	49.8
81.07055	90.1
83.04973	53.5
83.85315	10.9
88.22582	9.5
91.05486	55.8
93.07055	79.0
95.04963	89.9
95.08611	73.2
96.05207	10.3
97.06532	14.5
105.07023	100.0
107.08588	92.8
109.10126	50.1
117.06992	17.9
119.08530	65.7
121.10122	46.8
123.08034	12.1
123.11684	17.5
129.07042	15.0
131.08611	23.6
133.10092	78.6
135.11703	26.7
137.09613	11.4
143.08621	17.0
145.10138	58.9
147.11679	50.6
147.61926	11.0
149.13211	13.7
157.10110	22.2
159.11699	41.6
161.13217	30.8
163.14861	11.2
169.10204	15.3
171.11710	17.4
173.13263	37.2
175.14792	18.9
183.11671	11.7
185.13243	17.8
187.14809	24.4
199.14771	19.3
201.16310	38.0
202.16205	9.9
255.21127	12.1
298.44098	10.9
335.27258	15.8
353.28357	43.8
395.29584	11.3
413.30643	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	414.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
54.19313	0.6
60.05649	0.9
68.99777	1.5
69.58743	2.0
70.06577	2.1
77.03896	0.9
79.05492	0.8
88.07612	1.0
91.05477	6.3
92.99737	0.9
95.04951	2.9
95.08649	1.0
98.02398	0.7
98.22692	0.7
103.05467	8.8
105.03391	21.1
105.04469	1.2
105.07011	1.6
111.03180	1.9
115.05463	7.0
117.07025	6.5
119.08574	10.0
130.06537	1.3
131.04918	15.1
132.05281	0.8
138.01868	3.9
139.02699	0.9
141.06895	0.9
143.04964	1.1
144.08089	7.8
145.06500	1.4
154.06500	2.9
155.06079	0.9
163.69679	0.7
166.01328	5.8
167.02130	16.4
168.02820	0.9
168.08130	1.4
170.05951	0.9
172.07504	3.3
174.04875	0.8
176.03392	1.1
178.01341	35.8
179.01686	0.7
180.08188	1.3
180.67046	0.7
184.02408	2.2
184.07593	1.2
185.03177	9.8
190.04926	1.2
191.02057	1.1
191.03557	1.0
194.05905	0.8
196.07635	1.1
198.05537	0.8
200.07021	1.0
204.02950	1.2
206.00845	16.0
208.02217	0.8
208.07515	1.2
209.04465	1.6
212.07039	2.9
214.05054	0.8
216.02950	0.8
219.02829	0.8
224.01785	1.2
225.05420	1.3
226.08708	1.0
236.07014	1.1
240.06560	2.7
251.05569	0.7
254.08098	1.1
256.26340	2.1
258.07471	1.0
260.67960	0.7
264.06537	2.7
265.04968	1.4
271.08408	9.4
282.07632	10.1
292.05951	4.4
300.08600	1.0
310.07077	38.5
311.07642	0.7
323.07993	1.0
328.08014	1.7
355.11288	0.8
371.17429	0.8
383.87695	0.8
386.13736	3.7
396.12018	3.5
414.13242	100.0
414.35696	3.8
415.13474	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	414.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	1.3
69.03070	1.2
69.03426	20.7
69.42530	0.9
69.85783	1.9
69.86143	2.0
70.06586	11.7
71.04981	5.8
72.02023	0.9
72.08150	3.7
76.84571	0.9
81.03423	1.6
84.04456	1.3
84.08129	3.1
85.02901	7.3
86.09709	3.5
97.02887	100.0
98.03226	2.9
105.01865	1.2
109.02911	1.3
113.05999	9.0
114.53528	0.9
115.03967	1.1
121.02886	1.1
127.03873	1.2
129.10249	1.8
136.06204	3.1
145.04985	1.5
148.11259	1.1
157.04958	11.7
162.04094	1.6
166.12183	1.1
172.68286	1.0
173.09171	1.5
217.07031	12.8
235.06551	0.9
274.97498	2.0
282.10138	1.2
294.95667	1.2
297.09729	1.0
317.51239	0.9
371.03006	1.2
414.13486	13.7
414.18100	1.0
415.15036	1.1
415.26358	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27679	0.1
60.05643	10.8
62.01588	0.1
65.03934	0.8
67.05500	1.7
68.99469	0.1
68.99758	0.7
69.29666	0.3
69.30067	0.5
72.05634	3.7
77.03930	0.2
78.16611	0.1
79.05453	0.4
81.03413	0.2
84.08121	0.2
91.05473	0.7
93.03394	3.7
94.03722	0.1
94.06546	1.1
95.04950	1.8
102.05777	0.1
103.05450	0.7
105.03384	1.3
105.07045	0.2
107.04948	0.7
116.95311	0.1
117.03406	0.2
121.02834	0.3
123.04431	2.2
131.03963	0.2
131.04915	2.5
134.45294	0.1
135.04388	0.9
135.05296	0.2
137.02339	0.1
137.07086	0.3
142.08754	0.1
145.02827	1.2
149.02344	0.2
151.03905	0.3
162.05481	0.5
163.03880	3.3
164.04416	0.2
164.05763	0.3
165.05403	0.2
165.06577	1.4
167.03416	0.3
172.03973	0.2
173.02347	0.6
176.03397	0.8
177.01796	0.2
178.02518	0.4
179.03368	4.7
179.08499	0.2
180.06512	0.2
181.04930	1.3
183.02887	0.3
189.01759	0.2
189.05421	0.1
190.04964	4.6
191.03363	49.3
192.03642	1.6
193.04807	0.2
193.06444	0.2
195.02875	0.8
196.03497	0.1
197.04434	4.2
197.09222	1.1
203.08385	0.1
205.06111	0.4
207.00978	0.3
207.02856	4.7
207.08060	0.2
208.03212	0.2
208.04030	0.2
208.06017	2.1
209.04428	32.9
210.04797	1.3
218.04486	1.7
219.02849	21.5
220.03099	0.6
220.04889	2.4
221.09586	0.2
223.07315	0.2
225.08727	0.6
233.05562	4.1
235.07365	0.2
236.05513	6.6
237.03879	3.5
239.05414	1.3
239.10471	0.2
249.09151	0.5
250.08408	0.9
251.05463	16.1
252.05855	0.7
253.08542	0.8
254.06523	0.2
261.05048	4.4
262.05328	0.2
267.10074	0.4
268.08130	1.0
269.06299	0.6
270.38086	0.1
277.08536	0.4
279.06030	1.0
281.07898	0.1
283.09625	0.6
291.77808	0.1
293.07645	1.7
294.11234	0.9
295.09592	7.2
296.09836	0.5
309.12292	0.2
310.10312	2.0
312.08966	0.2
312.12289	2.0
322.10742	1.0
323.09039	1.6
337.11795	3.1
338.11960	0.2
340.11795	0.2
343.11768	0.4
354.14331	0.4
355.11697	4.2
356.12134	0.3
365.11234	0.5
372.14349	2.3
373.15082	0.2
397.13824	2.0
414.16522	100.0
415.16849	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	414.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56175	0.2
55.01872	0.9
56.05028	0.4
59.18661	0.2
67.05473	0.2
68.05022	0.4
68.99796	0.4
70.02951	0.2
82.02930	0.2
84.04488	0.7
96.04469	0.7
110.02399	0.3
121.02849	0.5
124.03953	2.8
127.11143	0.2
134.02339	0.8
139.00243	0.7
140.03442	0.9
152.03419	15.4
153.03656	0.2
168.02914	6.7
170.04463	0.3
180.02904	100.0
181.03247	2.4
198.03958	5.5
198.05750	0.3
258.07584	0.7
288.08667	3.8
292.98492	0.3
294.09769	0.4
300.08646	48.4
301.08984	2.5
326.51920	0.2
329.97781	0.3
340.36081	0.2
378.94775	0.2
414.19446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	7.2
57.03431	16.3
61.02928	13.6
69.03427	35.8
70.90317	2.2
71.01353	3.9
71.05019	2.1
72.93314	1.9
73.02915	75.4
73.98676	1.9
79.05500	2.0
81.03426	8.3
85.02899	100.0
87.04474	6.6
91.03960	7.5
97.02892	53.7
99.04447	7.1
100.09669	2.0
109.02891	8.6
115.03933	25.7
120.08112	10.0
121.02875	29.0
121.03712	3.6
126.05524	2.3
127.03914	39.6
133.04956	38.4
136.14339	2.2
145.04945	63.8
147.04431	3.4
150.07602	3.4
154.05028	2.5
163.05995	29.5
199.06137	2.4
221.12872	10.4
223.06042	7.0
241.07100	6.8
259.08130	6.7
335.09134	2.8
365.10034	2.7
383.11163	6.5
397.12759	2.6
415.13947	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	414.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.01859	1.9
57.03440	6.8
61.02931	2.2
61.87143	1.4
65.03938	4.3
67.05506	1.9
68.99785	6.4
69.03427	24.5
69.07082	1.3
69.16759	7.2
70.06586	5.4
73.02931	2.0
79.05514	2.2
81.03417	2.5
85.02898	30.0
86.09702	4.0
87.04465	15.2
91.05486	3.9
93.07043	1.5
95.04952	2.6
95.08564	1.6
97.02891	22.4
97.06541	2.0
99.04499	2.1
100.11243	1.7
103.03957	1.3
103.05464	2.1
105.07029	4.7
108.04475	1.3
111.04459	2.3
115.03931	20.1
117.07017	2.8
118.39822	1.3
119.04953	4.5
119.08566	1.4
121.02861	83.7
121.03905	3.5
121.06526	4.2
123.08012	1.6
124.04024	1.5
124.42316	1.3
127.03915	5.2
129.06992	1.4
131.04913	1.8
133.04974	24.5
133.06070	3.4
137.02325	3.2
142.12300	1.3
145.02859	5.5
145.04979	9.2
145.06522	2.6
147.04395	11.7
148.07613	1.4
149.06006	2.9
150.07613	1.4
151.03859	2.5
153.01808	2.2
159.04431	1.4
163.03925	5.3
163.06020	4.1
163.07465	1.4
165.01866	2.1
165.05568	2.1
167.03397	1.4
170.11687	1.3
173.06000	3.4
175.03833	1.4
177.05432	2.9
182.99306	4.3
185.05890	1.3
189.05547	1.6
189.09163	1.3
191.07030	3.5
193.04982	1.6
201.00259	1.6
201.05412	3.4
207.06534	4.5
213.05507	1.8
219.06531	2.1
235.06046	2.4
237.75703	1.4
239.07060	11.2
240.07487	3.7
251.07014	2.6
252.07919	2.0
253.08609	3.9
255.06569	4.6
257.04489	1.5
266.08759	1.9
267.06589	7.9
267.10095	12.3
268.07043	2.2
269.07916	1.5
275.09073	2.2
276.07581	1.6
277.08813	2.3
281.08426	2.2
281.11627	12.3
282.08792	2.0
283.06165	2.3
283.09644	3.8
285.03937	3.6
289.03561	3.5
291.10196	3.5
292.07236	1.3
293.08038	3.3
295.06180	3.0
295.09769	5.3
297.07620	4.0
297.11084	3.4
308.09717	1.9
308.12982	2.5
309.07782	2.3
309.11252	9.0
311.05722	2.0
311.09174	3.8
313.07037	3.4
317.02679	1.6
319.04517	2.9
319.09650	2.2
323.09103	3.5
325.10623	12.0
327.08713	3.3
329.15747	1.7
335.08380	1.7
337.10419	5.8
339.08609	6.1
341.10211	5.4
341.13760	2.7
347.09317	2.0
351.12296	5.3
353.10178	12.1
353.13434	1.3
355.11978	3.2
365.10129	11.1
368.15070	5.9
369.13269	9.9
370.09836	1.6
371.11160	2.1
371.16678	3.9
383.11307	9.7
396.14386	19.0
396.29001	1.3
397.12842	19.5
414.15506	100.0
415.10071	11.9
415.14853	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	22.6
57.07077	13.9
67.05472	3.0
69.07062	31.3
69.29034	3.6
69.29440	6.3
71.08630	10.3
81.07053	5.5
83.08617	24.8
85.10181	4.5
91.05490	4.0
93.07030	2.3
95.08588	3.6
97.10164	16.8
102.05549	11.4
104.07098	100.0
111.11690	10.2
119.08570	40.2
125.13288	2.4
163.14758	2.1
275.27469	3.5
293.28525	8.7
305.07718	1.7
396.34686	13.4
414.34082	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	16.4
70.06588	18.7
72.12250	5.7
78.83693	6.8
80.13913	5.6
84.08142	19.0
91.05766	9.9
93.49041	6.2
98.97577	67.2
100.93832	8.4
110.97626	6.5
116.98601	53.3
134.99629	27.9
136.06157	9.1
139.89841	6.9
145.89619	6.5
152.05608	12.7
256.96490	13.6
274.97510	100.0
275.02350	9.1
283.04214	7.9
292.98450	56.0
330.26682	7.2
415.05081	10.3
415.09943	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66671	3.2
56.96561	8.5
58.78862	2.6
64.46327	3.0
69.54065	4.3
69.54457	6.7
89.83194	2.9
98.97585	29.0
105.07018	3.3
107.67098	2.7
110.97563	5.4
116.98602	8.0
121.02863	62.7
128.98640	6.0
143.00111	3.6
147.56026	2.9
158.99648	7.3
163.03897	4.3
177.00832	3.1
219.01802	5.1
237.02885	9.5
239.07182	7.2
267.06613	5.7
267.10236	9.6
281.11728	6.1
291.10272	4.5
295.09583	6.3
309.11136	5.8
319.09537	4.1
320.68378	2.8
329.12723	6.1
337.10828	4.4
339.12332	3.2
347.13776	34.6
351.12402	6.9
369.13260	16.7
383.11176	9.0
389.14783	6.0
397.12793	31.2
415.13846	100.0
416.14276	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	415.1387
Annotation	Kanzonol S
Peak:m/z	Relative Intensity
51.38693	0.3
55.01879	0.3
65.03937	5.0
68.99789	1.8
69.03432	0.5
69.07678	0.2
70.69624	0.4
73.55011	0.3
79.05481	0.7
81.07011	0.3
91.05480	1.0
93.03397	0.5
93.07040	0.3
94.24417	0.2
95.04964	0.5
97.02866	0.6
97.06525	0.3
105.07012	0.7
107.08589	0.7
111.04424	3.8
115.05459	0.3
117.06996	0.4
119.04949	1.1
119.08565	0.6
121.02859	100.0
121.03906	5.6
122.03159	2.3
123.08105	0.4
129.07007	0.5
133.06491	0.9
135.04399	0.9
143.08546	0.3
145.02826	0.7
145.06447	0.4
147.04419	1.4
147.08025	0.9
149.05997	0.4
151.03873	0.3
161.09608	0.4
163.03879	1.5
163.07503	0.4
165.01894	0.4
173.05983	0.7
175.03865	0.4
175.07498	1.4
177.01817	0.5
177.05481	0.6
189.09076	0.8
191.07068	1.4
193.04869	0.3
193.08571	0.4
201.05504	1.1
203.06944	0.4
205.04900	0.4
207.06541	0.3
213.05531	0.3
217.08534	2.4
219.06558	1.0
221.07991	0.4
235.09593	0.3
237.07632	0.4
239.07071	1.1
245.08092	1.3
247.06032	0.4
255.06567	0.5
263.09140	5.5
267.06543	1.2
267.10175	1.1
268.06796	0.3
277.10696	8.3
278.11053	0.3
279.08630	0.4
281.11813	0.5
283.09631	0.8
285.04034	0.3
291.10040	0.4
295.06470	0.5
295.09225	0.7
295.12283	1.5
297.07214	0.3
297.10782	0.3
309.07556	0.4
309.11252	0.8
311.09006	0.4
319.09525	0.4
325.10995	0.4
337.10788	1.0
355.11893	0.9
365.10049	2.5
369.13400	1.8
383.11237	2.1
397.12790	8.3
398.13062	0.7
415.13922	13.2
416.14203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1388
Annotation	5'-demethoxy-6-methoxypodophyllotoxin
Peak:m/z	Relative Intensity
50.09823	1.0
55.05487	1.0
65.03922	4.6
65.89159	1.0
66.59323	1.1
68.99774	6.2
79.05492	2.7
81.07037	1.3
89.06041	1.6
91.05441	6.1
95.04947	1.8
95.08611	1.3
97.02854	1.1
99.34993	1.1
99.87953	1.0
102.35261	1.2
103.05469	1.3
105.07014	4.2
107.04944	4.6
107.08533	1.1
109.06474	1.4
111.04449	3.2
115.05451	1.6
115.71815	1.2
117.05482	2.1
117.07009	3.1
119.04935	9.0
119.08603	1.6
121.02861	95.0
121.03900	4.3
121.06506	4.4
122.03155	1.7
123.04404	2.0
123.08037	2.4
125.06030	1.1
128.06149	1.4
131.04900	2.9
133.06476	1.3
133.08571	1.3
134.15477	1.0
135.04391	5.5
135.07979	1.5
137.02315	1.5
145.02853	10.7
145.06436	4.5
147.04402	15.4
149.02295	2.5
149.05972	4.7
151.03905	3.2
159.04453	1.9
163.03911	5.7
163.07555	2.2
165.01869	1.6
167.03304	1.6
167.07091	1.3
173.06017	5.2
175.03914	1.5
175.07555	2.1
176.04660	2.4
177.05424	6.2
179.07045	2.6
182.99222	3.9
185.05965	1.4
189.08969	1.4
191.07050	6.5
193.04932	4.8
194.05641	1.3
197.06021	1.9
199.07492	1.5
201.05473	13.5
202.07860	1.2
205.08592	1.1
207.06511	28.4
213.05434	2.1
217.08575	2.3
219.06522	4.1
223.07472	2.0
226.06184	2.2
227.06902	1.7
229.04886	3.6
233.08136	1.3
235.05986	6.1
237.09227	2.3
238.06055	1.4
239.07040	11.6
239.10634	1.6
241.04622	1.2
251.06923	4.3
252.07768	4.2
253.04790	1.5
253.08519	5.0
255.06505	1.2
263.07104	1.3
265.08527	13.0
266.09326	4.9
267.06686	9.7
267.10071	14.7
268.07272	1.9
271.05960	1.8
277.08615	3.7
279.06531	4.7
279.10110	5.1
280.07370	2.6
281.08102	3.0
281.11649	9.2
282.08890	1.5
284.02621	1.2
285.03702	4.5
287.05496	1.4
291.10129	6.6
293.08090	15.0
294.08701	2.2
295.05997	3.6
295.09607	20.4
296.10037	1.9
297.07440	3.4
297.11163	3.0
299.09030	1.7
307.06030	4.3
308.06763	1.5
309.07654	2.9
309.11172	19.0
310.08383	2.6
310.11633	1.6
311.09125	2.5
313.06906	3.3
313.10580	1.7
319.09616	4.6
321.07739	2.9
321.11023	1.4
323.05576	2.0
323.09030	15.7
325.10672	32.9
326.10941	2.0
327.08575	7.5
329.15778	1.4
337.10736	18.2
340.08514	1.2
341.10229	5.6
341.13647	1.6
347.08957	1.6
351.12173	5.3
353.10175	89.2
354.10458	5.2
355.11646	4.3
365.10172	100.0
366.10547	6.1
369.13300	5.3
371.10947	3.2
379.11682	3.7
383.11078	4.1
397.12823	45.9
397.17993	2.2
398.13037	3.2
415.13837	44.3
416.13788	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1386
Annotation	(-)-Podophyllotoxin
Peak:m/z	Relative Intensity
51.40888	0.7
57.92511	0.7
65.03927	1.0
67.38661	0.7
68.99783	2.7
69.03443	1.1
70.40696	1.1
80.25115	0.8
91.05479	2.2
95.04967	1.4
98.22590	0.7
102.36605	0.7
102.99821	0.9
105.07019	1.6
107.04974	1.0
107.08537	0.7
111.04456	1.2
117.07018	1.7
119.04948	2.4
119.08626	1.0
121.02865	47.0
122.03250	1.5
129.06946	0.8
135.08008	0.8
145.02815	3.9
145.06512	2.4
147.04475	1.6
149.05952	1.6
159.04414	1.4
163.03902	3.3
163.07545	1.9
167.03304	0.8
173.06032	2.0
175.07550	1.6
177.05496	1.7
189.09036	1.2
191.07014	3.1
193.04936	0.9
201.05495	1.7
213.05531	2.1
215.07120	1.2
219.06592	2.0
223.07652	0.9
238.06241	0.9
239.07016	15.0
240.07436	1.3
247.09709	1.5
251.06967	1.9
252.07877	1.8
253.08553	3.6
255.06555	1.5
265.08606	1.4
266.09241	1.9
267.06583	8.3
267.10172	19.8
268.10464	1.0
269.08047	1.3
275.09207	2.8
276.07840	1.1
277.08698	3.2
279.06290	1.1
279.10214	1.5
281.08429	1.5
281.11703	12.6
282.12115	1.1
283.06183	1.1
283.09586	1.1
291.10114	6.9
293.08060	3.1
293.11627	1.1
295.09628	17.4
296.10092	1.1
297.07617	3.9
297.10754	1.1
304.69864	0.8
307.09744	1.4
309.07791	1.5
309.11111	8.8
310.11716	0.9
311.09106	1.4
313.07080	1.1
319.09698	2.5
320.10358	0.9
323.08984	0.9
325.10626	6.9
337.10666	4.5
339.12225	1.2
341.13803	3.5
351.12238	4.3
353.10260	2.3
365.10287	1.9
369.13290	27.7
370.13635	2.5
379.11777	1.0
397.12820	42.2
398.13303	2.7
415.13864	100.0
416.14194	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	415.1386
Annotation	Schisantherin Q
Peak:m/z	Relative Intensity
55.66844	0.5
58.28498	0.5
62.42939	0.6
65.03929	0.7
65.10349	0.5
68.99780	1.9
69.03434	0.5
69.60751	2.1
79.05525	0.8
91.05483	1.9
93.07005	0.8
95.04966	1.2
95.08595	0.7
98.23380	1.0
98.47782	0.5
104.15913	0.6
105.07034	1.6
107.04935	1.0
111.04409	0.7
117.07009	1.4
119.04951	2.1
119.08634	0.8
121.02861	27.9
121.06519	0.8
129.06979	0.7
131.04958	0.6
133.06497	0.9
135.04439	0.8
145.02831	3.5
145.06485	1.9
147.04393	2.8
149.05948	1.4
151.03918	0.7
159.04376	0.9
163.03903	2.8
165.05463	1.7
173.06029	2.3
175.07544	1.4
177.05415	0.8
179.07195	0.7
183.08194	0.8
191.07042	2.0
193.04965	3.0
197.06030	0.8
201.05347	2.7
205.08577	1.0
207.06558	1.6
211.07574	0.6
213.05453	1.1
219.06502	1.4
223.60860	0.6
229.04906	1.0
233.08061	1.2
235.05757	0.6
239.07069	4.7
249.09155	0.9
251.06946	1.4
251.09178	0.9
252.07715	0.9
253.05017	1.4
253.08549	2.6
255.06317	0.8
257.04440	0.8
264.07687	0.8
265.08646	2.3
266.09320	1.3
267.06540	12.8
267.10114	4.8
268.07126	1.8
269.07968	3.2
274.09918	0.6
276.07828	1.3
277.08539	1.9
279.06613	1.0
279.10202	2.0
280.07285	11.4
281.04749	1.0
281.07971	2.3
281.11716	5.2
282.08884	2.9
283.06110	0.6
283.09616	0.7
285.07562	0.8
291.10126	4.8
293.08154	3.3
294.08755	1.4
295.06238	1.2
295.09650	4.4
297.07846	1.2
297.11139	10.5
309.07562	2.8
309.11182	4.3
310.08124	0.7
312.06171	4.3
313.07050	6.7
319.09668	2.3
321.07584	2.7
321.11057	0.7
323.05661	0.7
323.09106	1.8
324.06265	5.7
325.07086	0.9
325.10669	14.9
326.11053	0.8
327.08600	1.2
335.09171	1.2
336.06323	0.8
337.07098	0.9
337.10593	3.5
341.10181	13.5
341.13644	0.9
347.09219	0.6
351.12274	2.2
353.10153	13.1
353.14163	1.1
354.10635	0.6
360.34091	0.6
365.10239	6.4
369.13358	4.7
371.11331	0.7
383.11298	2.8
397.12820	22.7
397.18002	1.2
398.13101	1.6
415.13846	100.0
416.14066	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	415.1375
Annotation	Schisantherin Q
Peak:m/z	Relative Intensity
50.66671	3.2
56.96561	8.5
58.78862	2.6
64.46327	3.0
69.54065	4.3
69.54457	6.7
89.83194	2.9
98.97585	29.0
105.07018	3.3
107.67098	2.7
110.97563	5.4
116.98602	8.0
121.02863	62.7
128.98640	6.0
143.00111	3.6
147.56026	2.9
158.99648	7.3
163.03897	4.3
177.00832	3.1
219.01802	5.1
237.02885	9.5
239.07182	7.2
267.06613	5.7
267.10236	9.6
281.11728	6.1
291.10272	4.5
295.09583	6.3
309.11136	5.8
319.09537	4.1
320.68378	2.8
329.12723	6.1
337.10828	4.4
339.12332	3.2
347.13776	34.6
351.12402	6.9
369.13260	16.7
383.11176	9.0
389.14783	6.0
397.12793	31.2
415.13846	100.0
416.14276	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	415.1389
Annotation	Heliobuphthalmin
Peak:m/z	Relative Intensity
55.01868	0.6
55.05487	0.7
65.03935	3.3
68.99779	3.4
69.03407	1.2
69.07053	0.5
69.80943	0.6
69.81272	0.9
70.06588	1.7
72.08134	0.8
72.32339	0.4
73.62377	0.4
73.86857	0.4
79.05480	1.7
81.03405	0.7
81.07055	1.0
83.48309	0.4
85.02901	1.0
86.09695	1.9
89.05984	0.7
91.05475	2.6
92.78297	0.4
93.07039	1.7
95.04958	1.6
97.02867	1.3
97.06525	4.6
98.22805	0.5
103.05452	0.7
105.01820	0.6
105.07021	1.4
107.04955	0.8
107.08565	0.6
109.02859	0.6
109.06519	0.5
111.04434	2.7
114.10413	0.4
115.05406	0.6
117.06972	1.1
119.04937	2.6
119.08585	1.3
120.35562	0.4
121.02858	100.0
121.03895	3.7
121.10114	0.7
122.03204	2.1
123.00804	0.5
127.03935	1.2
128.06227	0.7
129.07031	0.7
131.04947	0.5
133.06502	0.9
135.04428	0.8
135.08020	0.5
137.02333	1.4
139.00246	1.3
145.02835	1.5
145.06494	1.0
145.10040	0.5
147.04399	3.9
147.08070	1.2
147.11331	0.5
149.02316	0.9
149.05962	1.5
151.03854	0.9
161.02249	0.5
161.05948	0.6
163.03880	3.8
163.07506	0.6
165.01830	0.8
165.05502	0.9
169.01326	0.5
173.05969	1.4
175.03865	0.7
175.07481	1.0
177.05389	2.1
179.07111	0.5
181.04926	0.8
182.99265	1.0
189.05455	0.5
191.06999	1.9
193.04985	0.7
201.05493	1.0
205.05023	0.7
207.06525	2.4
207.10139	1.0
217.05052	0.4
217.08641	0.5
219.06480	1.6
229.04897	0.9
235.05966	1.2
239.07094	3.2
245.08025	0.4
251.06943	0.8
252.07794	0.7
255.06541	2.1
257.04572	1.2
261.03769	0.8
265.08588	0.8
267.06555	1.3
267.10165	2.7
279.06381	0.7
279.10156	0.5
281.04385	0.4
281.07819	0.9
281.11737	1.6
283.05936	1.2
283.09668	2.2
285.03937	1.8
287.05411	3.6
289.03476	1.7
291.10187	0.8
292.07132	0.5
293.08142	1.4
295.06039	1.2
295.09598	3.4
297.11026	0.5
309.07675	0.7
309.11182	3.3
311.05594	1.0
311.09137	2.7
312.09546	0.6
317.02786	0.6
319.04401	1.2
319.09540	0.9
321.07623	0.7
323.09106	1.3
325.07162	0.6
325.10651	1.7
327.04999	0.6
327.08569	0.6
327.12094	0.7
329.15802	0.6
337.10675	2.5
339.08508	1.8
339.12091	0.5
341.09970	0.6
353.10184	4.9
355.11685	2.7
365.10190	4.8
369.13434	2.8
371.11655	0.7
371.16583	3.5
371.20490	0.6
383.11240	22.2
384.11627	1.7
387.10706	1.2
397.13028	6.3
414.26312	0.6
415.14120	21.1
415.19437	11.4
416.14893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1386
Annotation	Aciculatin
Peak:m/z	Relative Intensity
55.01860	2.5
57.03443	0.7
57.96116	0.5
58.89916	0.5
59.30539	0.6
60.37136	0.6
65.03942	2.7
67.05478	1.2
68.99780	4.3
69.03418	0.8
69.07047	2.6
69.57921	2.5
71.04990	6.5
73.99999	0.5
78.43679	0.6
79.05482	2.9
81.07059	0.9
82.51800	0.6
91.05468	0.9
91.24339	0.6
95.01302	0.8
95.04974	0.7
95.08594	0.9
97.06522	5.5
98.97591	0.6
105.06998	0.8
107.01289	0.9
107.04943	0.8
111.04432	2.3
113.09640	6.5
119.04934	6.2
121.02857	100.0
122.03196	2.3
123.00784	7.0
137.02377	0.6
139.00262	2.9
145.02817	2.9
145.06528	0.8
147.04457	0.8
151.00252	1.0
157.06479	1.3
163.03886	2.3
165.01848	1.5
165.05371	0.7
168.00533	0.8
169.01323	8.0
171.04340	0.9
173.06000	2.0
185.05911	0.8
191.07080	0.9
193.05038	0.9
201.05528	1.0
213.05415	5.6
217.05002	1.3
223.03912	1.0
227.03419	1.2
229.04892	1.5
239.07002	2.1
241.04953	6.9
242.05629	0.7
245.04434	28.5
246.04715	1.4
251.03314	0.6
252.07639	1.2
255.06490	2.4
257.01886	0.4
257.04425	13.0
258.04807	0.6
259.06094	0.7
264.07980	0.7
267.06409	1.6
269.04443	12.0
270.05121	1.4
271.05975	0.9
281.11633	4.4
283.06003	6.9
283.09576	1.8
285.03937	7.4
285.07468	1.7
286.04724	4.9
287.05472	79.8
288.05878	3.8
293.08224	1.1
293.11725	1.6
295.06009	1.9
295.09546	1.1
297.04074	2.7
297.07047	0.9
299.05643	0.9
309.07910	0.8
309.11194	3.7
310.11899	0.6
311.09015	6.1
313.06915	1.6
317.55130	0.7
321.07495	0.8
327.12222	1.2
337.10635	2.3
339.08621	11.6
340.09039	0.9
355.11813	1.1
365.10138	1.8
369.13293	5.6
383.11203	35.9
384.11633	2.0
397.12842	13.8
398.12958	0.8
415.13840	96.7
416.14197	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	415.1386
Annotation	(+)-Epiexcelsin
Peak:m/z	Relative Intensity
56.05974	0.4
61.50840	0.4
68.99783	4.9
69.07027	1.0
69.29516	2.4
70.19704	0.4
71.04968	0.5
79.05412	0.4
81.07015	0.7
81.80749	0.5
91.05399	1.0
97.06461	1.1
119.04926	8.4
121.02856	6.7
121.03736	0.5
123.00724	0.6
124.03894	0.6
139.00253	10.3
139.29906	0.4
144.11980	0.4
147.04323	1.7
157.01276	0.5
160.05168	0.4
161.56906	0.5
168.00505	0.8
169.01283	2.3
178.08640	0.6
195.04352	0.9
211.03857	0.9
213.05197	0.5
222.44946	0.4
229.04724	0.6
239.03581	0.5
245.04465	0.6
257.04425	40.8
258.04883	2.5
285.03900	22.9
285.07172	0.9
286.04663	22.5
287.05447	37.4
288.05710	1.2
313.06830	0.6
383.11212	81.1
384.11462	5.5
415.13846	100.0
415.20343	5.5
416.14258	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	415.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62434	0.5
56.05030	1.5
59.04997	6.5
68.05023	1.7
68.99795	0.5
69.03421	0.7
71.04969	0.7
84.04500	21.9
95.01333	5.8
95.04951	0.6
95.19003	0.5
96.04492	4.4
98.06061	0.6
99.04473	2.3
101.06001	0.9
101.24158	0.4
103.05463	5.8
110.06068	0.9
110.72182	0.4
111.03178	1.1
112.03961	9.1
116.07106	1.0
123.30457	0.4
124.03922	2.7
126.01870	0.6
127.03890	2.0
127.61311	0.4
128.07095	2.6
131.04918	17.6
132.05252	0.9
138.05481	4.4
139.02588	0.7
140.03433	3.3
144.06549	100.0
145.06877	2.5
156.06557	2.3
164.03415	6.6
166.04994	2.3
167.02132	16.8
168.02917	33.8
169.03206	0.5
178.05002	0.6
182.04460	4.8
185.03221	3.7
188.03313	0.9
191.04497	0.5
192.02899	1.6
206.04477	9.8
210.03917	1.2
216.02927	0.9
229.07449	0.5
234.03958	32.9
235.04366	1.6
252.04988	0.8
261.05051	0.7
262.03482	5.6
271.08380	6.3
272.09152	37.6
273.09409	2.0
276.04956	2.9
293.07623	0.9
294.06064	20.8
295.06421	0.7
300.85541	0.5
310.10675	5.0
311.11221	0.5
319.04129	0.5
338.10208	21.6
339.10526	1.0
355.12753	0.7
356.11191	0.6
365.11093	0.6
366.09650	2.0
380.11163	6.2
397.13962	10.0
398.12323	42.2
399.12558	3.7
405.25800	0.5
415.14975	6.2
416.14911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84682	0.8
66.77129	0.7
69.11805	4.9
69.74123	0.7
72.09003	0.7
77.61252	0.6
83.21336	0.6
86.09715	1.2
91.05484	0.7
97.02879	2.2
98.23466	1.4
119.04913	1.0
121.02847	5.5
121.06564	0.9
127.00101	0.8
139.34578	0.7
147.04385	3.1
158.81947	0.7
167.10495	1.1
182.99368	1.0
191.07019	0.7
195.09946	0.9
197.60408	0.8
235.05948	1.4
250.32585	0.7
285.03885	2.1
309.11093	0.9
311.14603	7.4
325.10739	1.6
329.15683	2.2
337.10645	0.9
353.10071	3.9
365.10080	2.9
371.16724	20.0
415.15717	100.0
416.16052	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	415.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37012	0.5
61.12829	0.6
69.61903	1.4
69.62291	1.4
70.06590	12.0
78.20493	0.6
84.08145	2.0
97.02879	3.3
99.58960	0.6
101.11211	0.6
103.05458	0.8
105.80258	0.6
107.04957	1.2
107.16862	0.6
107.91109	0.6
110.06036	3.9
112.08731	3.3
113.62484	0.7
116.97504	0.6
120.04485	1.9
121.02882	1.7
121.04810	1.0
131.04942	1.7
150.78207	0.7
163.03877	0.7
167.10432	3.1
167.47191	0.7
193.19130	0.5
195.09982	1.6
218.04543	0.8
248.05489	0.9
253.60640	0.6
283.02457	0.9
324.28088	0.6
329.15701	12.9
331.13211	0.6
338.10510	0.7
353.15573	0.9
371.16760	50.6
372.17242	3.0
379.16473	0.7
383.10355	0.6
398.13504	0.6
415.15732	100.0
416.16205	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	415.1881
Annotation	Jerantiphylline A
Peak:m/z	Relative Intensity
53.75235	1.7
67.02044	1.5
67.05503	5.7
70.16801	4.3
74.29607	1.4
79.05489	5.4
81.07040	7.7
91.05431	10.0
93.07046	6.0
95.04980	2.2
95.08609	7.5
98.23563	1.7
98.98438	10.2
101.51131	1.3
105.07036	5.2
107.08592	5.3
109.10143	3.0
117.07008	3.8
119.08575	99.2
120.08922	1.8
121.10151	5.0
131.08580	3.6
133.10124	3.1
135.11661	2.4
145.10112	2.5
149.13268	3.4
155.01067	8.6
161.13278	2.8
163.14847	3.5
207.11844	2.2
243.21010	4.0
261.22089	11.9
292.42047	1.7
344.97791	2.4
345.45428	1.7
357.14322	2.1
399.24603	1.7
414.30695	4.1
415.18744	100.0
415.30743	3.2
416.19144	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	415.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54291	0.8
55.01871	1.2
57.42140	0.9
65.03915	3.7
66.34483	0.8
68.99770	4.0
69.03406	2.4
69.07049	4.7
69.07448	1.6
70.91123	0.8
72.08131	2.5
73.02905	1.2
79.05494	2.2
81.03416	1.1
85.02906	4.2
85.46948	0.7
86.09703	9.5
87.00825	1.4
89.06018	1.7
91.05493	2.0
95.04939	2.0
95.08600	1.0
95.47105	0.8
97.02888	5.8
97.06501	3.2
98.23425	2.0
103.05419	0.7
105.01852	2.0
105.03381	3.2
105.06966	0.8
106.45134	0.7
109.02789	1.1
111.04406	2.5
113.28652	0.8
117.06973	1.1
119.04922	2.2
121.02859	69.5
121.03896	2.9
121.06439	1.4
122.03202	2.4
125.37119	0.8
127.03906	2.8
131.04922	2.1
133.08603	1.9
137.02338	4.2
143.11797	0.9
145.02850	1.2
145.04958	1.9
145.06416	1.3
147.04381	3.2
147.08058	1.1
149.02454	0.9
149.05997	2.0
151.03853	1.7
161.05927	1.0
163.03859	4.0
166.78062	0.9
167.07082	1.2
173.05971	1.5
177.05396	2.4
179.03366	1.8
191.07031	1.2
199.17992	1.9
201.05479	0.9
207.06529	1.3
217.05006	1.0
219.06555	1.0
227.17386	1.0
235.05904	1.5
239.06964	2.3
255.06537	3.0
257.04349	1.0
265.08469	1.1
267.06479	1.3
267.10172	2.4
279.06488	1.7
281.08185	1.0
281.11703	2.0
283.06351	1.3
283.09586	2.8
287.05389	2.9
289.03464	2.4
291.10223	1.6
293.08035	1.7
295.06061	1.8
295.09515	1.6
297.07623	1.0
307.09424	1.4
309.07736	0.9
309.11264	2.8
311.09149	2.7
313.07047	1.4
325.10660	2.6
329.15656	1.2
335.09067	1.9
337.10764	2.5
339.08508	1.3
351.08682	1.1
353.10107	3.8
353.19183	5.7
354.10593	1.0
355.11615	2.1
355.16745	1.3
365.10120	3.4
369.09488	1.9
369.13614	1.7
371.11459	1.3
371.16568	3.5
379.08066	1.2
383.11172	13.9
384.11221	1.3
387.10782	10.0
388.10971	1.2
397.13226	4.0
397.17773	1.2
415.09299	9.5
415.14450	14.7
415.19287	100.0
416.10126	1.3
416.14899	0.9
416.19754	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	415.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.0
58.04216	1.2
68.99786	1.9
69.03430	0.8
69.07066	6.7
69.85032	0.7
69.85374	2.1
73.02911	3.4
75.05611	2.6
80.05502	1.3
86.06071	4.8
86.09703	100.0
87.04469	2.4
87.10035	1.5
89.06030	11.2
91.05453	1.7
98.22763	1.4
102.06800	1.4
105.07074	0.7
107.04896	0.9
114.05534	9.7
119.04955	2.7
121.02862	10.4
121.06505	3.3
132.10213	1.6
133.08623	5.2
139.98300	0.6
143.11800	13.0
147.04395	10.8
149.05977	1.4
151.03880	0.9
153.06577	1.1
155.09857	1.3
165.01845	2.0
171.07637	2.6
171.11285	2.6
175.03798	0.8
177.11189	1.5
181.04857	1.2
182.99216	4.5
193.05043	0.8
201.00221	1.1
201.05576	1.0
207.06514	1.1
235.06038	2.3
256.16574	12.6
256.83868	0.7
263.05569	0.8
267.06519	0.9
267.10104	0.6
281.11636	1.1
284.16098	2.8
285.03931	5.5
295.09543	0.7
323.08820	0.9
325.10757	0.9
337.10645	1.3
353.10202	3.9
363.31302	0.7
365.09976	4.0
383.11163	1.2
397.12833	2.0
415.13913	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	415.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43799	2.3
53.03950	3.1
55.05506	21.7
57.07074	5.5
65.03941	2.3
67.05503	26.1
67.06543	2.3
69.03433	4.0
69.07068	19.8
70.15433	6.3
77.03923	2.7
77.12147	2.0
78.75044	2.1
79.05495	17.7
80.10734	2.0
81.07053	50.6
83.04984	45.7
83.08614	7.1
85.06573	2.1
89.06023	3.8
91.05463	24.9
93.07044	56.1
95.04960	37.0
95.08602	42.0
97.06531	7.6
97.10176	5.8
98.22713	2.8
103.05458	2.3
105.07024	32.5
107.08594	52.3
108.25497	2.3
109.06520	8.9
109.10142	33.0
111.08076	6.8
111.11666	2.8
112.07594	14.6
113.07942	4.3
117.07024	4.5
119.08575	100.0
120.08898	5.1
121.06553	2.3
121.10146	36.2
123.08070	6.3
123.11703	16.2
125.09608	2.7
131.08562	5.2
133.10141	21.1
135.11684	27.4
137.09605	3.1
137.13263	4.4
139.11156	4.9
145.10167	13.2
147.11674	20.4
149.13261	15.5
151.11179	2.4
157.10190	7.3
159.11696	14.4
161.13251	9.7
163.14832	7.9
164.53462	2.4
165.12740	5.8
171.11693	4.5
173.13301	8.1
175.14793	7.2
177.16388	3.9
185.13327	3.8
187.14793	4.9
189.16357	7.8
199.14717	3.0
201.16415	6.1
203.17917	5.5
215.17957	3.0
219.17258	3.9
232.95050	2.2
243.21411	2.1
245.19102	2.6
250.22861	2.3
254.15691	13.9
255.15923	13.8
257.22614	7.4
259.24323	2.6
319.28479	2.4
337.28915	4.1
355.29901	11.8
373.31104	3.2
397.24091	3.0
406.39932	2.2
415.15576	10.6
415.27869	27.9
415.32269	5.9
430.34143	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	415.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79165	1.4
55.05513	11.7
57.07060	4.0
65.03928	3.2
67.05498	22.8
69.03389	1.6
69.07065	21.6
69.51022	5.1
71.08606	2.3
79.05486	18.9
81.07047	45.6
81.99532	1.5
83.04990	7.9
83.05398	1.7
83.08609	6.1
89.06018	2.1
91.05456	19.7
93.07038	31.1
95.04958	55.7
95.08600	36.9
97.06502	5.4
97.10165	5.2
98.23427	2.9
103.05457	2.3
104.06268	1.8
105.03400	2.9
105.07017	38.5
107.08582	32.3
109.06501	11.6
109.10136	22.5
111.08020	2.6
117.07006	6.6
119.08568	100.0
120.08884	3.7
121.06536	3.2
121.10123	17.7
123.08070	3.8
123.11708	7.7
128.06171	2.5
128.44846	1.5
129.06995	3.9
129.59064	1.5
131.08551	14.5
133.10120	24.8
134.18079	1.8
135.08035	6.9
135.11685	13.8
137.09554	1.8
137.13264	3.8
143.08490	7.6
145.10107	24.5
147.11661	18.6
147.14934	1.6
149.09581	2.4
149.13257	13.0
155.08569	3.3
157.10118	8.8
159.11688	18.3
161.13242	9.2
163.11128	1.9
163.14764	7.8
165.12634	2.0
169.10239	1.8
171.11696	9.0
173.13235	13.9
175.11121	2.3
175.14786	7.2
177.12744	2.0
177.16377	2.7
183.11678	5.0
185.13245	6.8
187.14799	8.6
189.16335	3.5
191.14288	5.6
197.13264	4.7
199.14827	7.0
201.16367	5.5
203.17889	2.6
211.14812	3.1
213.16341	5.3
215.17894	3.2
225.16345	2.0
227.17949	4.1
231.17439	1.8
241.19420	3.9
245.18944	2.5
253.19441	2.6
255.21227	2.8
257.22620	2.0
261.21945	1.9
267.21042	3.2
281.22714	3.8
299.23843	2.3
317.24661	5.7
318.25339	2.6
337.28815	5.1
355.29965	8.0
369.18005	2.2
397.30917	16.2
415.15192	2.1
415.32098	27.8
416.32303	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	415.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.8
67.05506	6.8
69.07089	4.2
69.23425	4.5
69.23817	7.1
73.00494	2.3
77.15119	2.0
79.05489	8.4
81.07059	17.9
83.08647	2.8
91.05451	16.7
93.07036	9.6
95.08594	15.6
98.22595	4.0
105.07052	16.7
107.08572	17.4
109.10160	6.4
117.07037	4.1
119.08584	100.0
121.10156	7.3
123.11704	4.5
131.08528	6.4
133.10138	9.8
135.11703	7.5
145.10124	4.2
147.11679	4.9
149.13248	5.4
157.10167	2.2
159.11674	3.3
161.13264	2.8
171.11601	2.8
175.14897	3.0
179.68379	2.1
189.16389	3.2
205.95770	2.5
224.50543	2.2
320.66287	2.4
355.29865	2.8
415.32230	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
54.03960	1.1
55.05503	9.8
57.07062	2.9
61.02916	1.4
65.03919	1.8
67.05500	15.1
69.07063	13.4
69.31779	5.9
79.05484	13.2
81.07051	36.4
82.07357	1.5
83.04963	4.5
83.08604	5.2
85.06526	1.7
91.05467	17.1
93.07038	23.6
95.04961	35.0
95.08025	1.9
95.08601	30.3
97.06519	2.3
97.10146	3.7
105.07021	26.6
106.07347	1.0
107.08587	24.8
109.06512	5.9
109.10155	15.3
111.08085	1.8
111.11691	1.9
115.05452	1.3
115.98786	1.1
117.07003	4.0
119.08571	100.0
120.08910	4.7
121.06516	1.5
121.10136	18.0
123.08080	2.8
123.11701	5.9
129.06973	1.6
131.08537	10.7
133.06514	1.4
133.10115	16.8
135.07988	2.1
135.11693	10.9
139.11148	1.5
142.07736	1.5
143.08519	5.1
145.10106	19.3
147.11684	17.2
149.09550	2.1
149.13237	10.2
155.08534	3.1
156.09282	1.6
157.10078	7.3
158.10788	1.3
159.11676	16.0
161.09549	1.2
161.13237	9.3
163.11115	1.9
163.14803	4.7
165.12790	1.3
169.10081	3.7
171.11662	6.9
172.12012	1.1
173.13246	12.6
174.13692	1.3
175.11095	1.1
175.14812	7.9
177.12759	2.1
177.16302	1.8
183.11641	2.6
185.13307	5.5
187.14865	7.6
189.16365	2.3
191.14226	1.6
191.17934	1.5
197.13249	4.0
199.14801	5.7
201.16409	4.6
203.17976	2.8
211.14854	2.1
213.16428	5.8
215.17923	2.8
217.19537	1.2
225.16321	2.9
227.17924	3.7
229.19466	2.6
231.17441	1.8
231.21083	1.6
253.19424	3.0
255.20804	1.2
257.22446	1.7
267.21078	3.2
281.22470	1.9
317.24643	3.3
319.26376	2.3
337.28891	5.6
355.29837	8.2
371.29233	1.7
397.16650	1.8
397.31042	14.9
398.31241	1.4
410.00461	1.0
415.32034	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07547	2.0
53.71767	1.8
54.71358	2.3
55.05508	16.1
59.67143	2.1
67.05496	10.4
69.07063	8.5
69.23678	13.6
74.24862	2.1
79.05494	11.7
79.80637	2.2
80.79729	2.3
81.07053	25.4
83.04974	15.6
91.05475	14.7
93.07031	24.8
95.04954	5.2
95.08602	21.0
105.04522	2.7
105.07030	22.2
107.08578	27.9
109.06486	4.8
109.10155	18.1
111.08052	5.3
117.07030	2.6
119.08569	100.0
120.08902	2.9
121.10137	14.2
123.11704	5.3
131.08551	4.8
133.10144	11.6
135.11687	19.2
137.13213	2.8
139.11212	3.0
142.62706	2.3
145.10136	7.6
147.11700	9.0
149.13252	10.7
157.10196	2.9
159.11691	5.8
161.13272	2.6
163.14789	3.4
173.13263	4.7
175.14806	5.7
177.16327	2.8
187.14838	5.1
201.16269	2.5
203.17969	4.2
215.17903	2.4
315.02734	2.6
355.29633	4.6
415.14932	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	416.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	4.7
62.06008	0.7
65.03928	0.7
67.04254	0.8
68.99794	1.2
69.69425	1.5
69.69785	1.5
70.06588	4.8
71.36030	0.7
71.36429	0.7
76.24924	0.6
79.05478	1.1
81.03783	0.8
82.06577	1.4
84.08137	49.6
91.05490	1.2
107.01290	1.8
107.04955	4.7
110.06034	100.0
111.06364	1.6
119.04958	2.0
121.14175	0.6
127.03948	0.7
128.03452	1.0
131.04878	1.0
134.06039	0.8
135.04404	2.8
151.03816	1.3
152.07065	1.8
161.05910	0.9
162.05423	3.6
163.03931	7.7
166.04990	0.9
166.08557	1.1
167.07031	1.1
180.06561	3.9
182.99297	1.4
187.03903	17.2
206.04480	15.2
221.04454	2.0
222.07573	4.9
224.05521	2.6
230.04468	4.3
231.02844	4.0
237.01773	4.5
238.07135	0.7
238.63297	0.7
248.05521	14.7
254.10208	2.2
255.02832	1.6
263.01703	0.8
273.03827	1.4
280.08179	2.5
283.02362	45.4
284.02664	2.5
285.07544	1.0
288.00815	0.7
301.03369	2.1
308.09180	1.8
309.10065	1.0
320.09103	3.3
320.63422	0.9
322.10638	0.8
338.10239	2.5
348.08725	4.8
358.34766	0.8
366.05817	0.8
366.09857	2.2
380.11420	1.6
384.10764	19.1
385.11090	1.2
398.12640	2.3
408.03577	0.8
416.13824	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	416.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	4.4
65.56476	0.7
67.04224	1.3
68.05016	0.7
68.99780	0.8
69.56339	3.2
70.06593	3.7
73.06419	3.8
80.05022	1.0
82.06571	1.1
84.04496	1.7
84.08141	40.2
85.02930	0.8
91.05460	2.1
103.05459	1.4
107.01303	0.9
107.04963	4.8
109.02857	0.8
110.06036	100.0
111.06377	2.1
112.08740	1.8
119.04923	2.8
129.08972	0.7
130.05013	2.2
130.09737	1.8
131.04927	4.7
131.42566	0.6
135.04417	3.2
137.05956	0.8
147.04375	1.3
162.05472	4.8
163.03906	7.1
167.07053	1.8
168.02843	0.9
171.04436	1.6
171.46889	0.7
176.03403	0.8
178.05067	1.3
180.06541	3.9
181.04987	1.1
182.99236	1.2
187.03897	16.1
199.03990	1.0
204.06497	0.9
206.04475	19.4
218.04472	1.7
221.04434	1.0
222.07623	5.5
224.05511	4.9
230.04427	6.7
231.02835	5.0
232.02533	0.9
234.03819	1.5
237.01836	2.7
248.05542	20.2
249.03789	1.0
249.06076	0.9
254.10208	1.8
255.02937	2.0
255.06357	0.9
262.07092	2.0
273.03946	1.6
278.07712	1.9
280.04504	4.0
280.08130	2.6
283.02359	32.8
284.02826	1.5
287.05484	1.0
295.05923	0.9
296.08932	1.0
297.07254	0.9
301.03391	2.6
308.09079	0.8
320.09338	3.8
338.10223	2.7
348.08710	7.7
356.11118	1.0
357.74426	0.9
366.09729	2.8
380.11450	4.6
384.10669	18.1
385.11133	1.3
398.13007	4.2
416.13306	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	416.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03450	2.0
68.05025	4.9
68.76480	1.5
68.99781	2.6
70.02943	2.8
70.06594	9.3
73.06419	6.8
76.34406	1.3
83.03723	3.1
84.08121	4.5
84.88012	1.4
85.02908	18.0
91.05473	2.3
95.01353	1.5
95.04926	2.4
96.04467	7.3
98.02406	2.5
103.05468	14.7
104.11288	1.2
110.06030	8.8
110.59638	1.3
111.03195	9.6
112.08715	3.9
124.03948	5.1
128.07095	2.4
130.09706	2.0
131.04919	50.2
138.01744	1.4
138.05515	5.4
139.02618	6.3
140.03384	3.0
144.08124	2.9
147.36620	1.4
156.06584	2.7
157.58209	1.5
163.03819	1.6
164.03423	11.1
166.01273	1.9
166.05029	4.3
167.02136	100.0
168.02916	34.3
171.04359	2.5
182.04491	13.0
185.00772	2.1
185.03185	50.9
186.03500	2.4
188.03412	2.3
192.02979	2.8
206.04491	21.6
210.03944	2.9
218.04521	3.3
229.07324	2.3
234.03958	59.2
234.06334	3.0
235.04205	1.6
252.04999	3.0
262.03348	7.1
266.04526	1.5
270.07648	2.1
271.06146	2.9
271.08377	51.2
272.09109	24.0
276.04947	1.7
283.02368	4.5
287.05838	1.8
294.06070	40.3
295.06375	2.2
296.08826	2.1
310.10748	10.4
332.05637	1.9
338.10208	47.2
338.14307	1.5
339.10452	3.0
356.11270	38.6
357.11536	3.8
366.09625	4.6
380.11261	12.9
384.10583	3.0
384.14966	1.6
398.12338	65.1
399.12653	5.1
416.03687	4.7
416.13037	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	416.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44271	0.9
53.44554	1.0
55.01884	1.0
55.05494	1.4
60.05645	7.0
68.05027	7.6
68.88078	1.1
68.99784	5.1
69.03419	2.9
69.05807	2.5
69.08926	2.6
69.09329	4.4
70.06592	54.3
71.04988	4.4
71.06911	1.5
71.76141	0.9
72.05642	3.9
72.08148	5.0
73.06422	100.0
76.89680	1.0
80.05025	3.9
80.60652	0.9
82.06581	1.6
84.04501	3.0
85.02917	1.8
86.06086	1.7
91.05459	6.3
91.54312	0.9
96.04493	7.3
97.02917	1.4
97.07664	2.6
98.09699	6.3
100.07610	1.3
101.69407	1.2
103.05473	4.5
105.03393	1.9
107.04976	2.3
108.04502	1.2
109.03992	1.1
110.06029	2.2
110.07189	1.5
111.05569	1.4
112.08727	30.4
114.10278	6.2
121.06519	2.2
122.06033	3.2
124.05119	1.7
124.07581	1.4
128.08215	8.5
129.08974	24.8
130.05014	5.2
130.09763	31.7
131.04877	7.1
139.00211	1.4
147.04379	3.4
148.03903	1.1
150.05504	4.0
156.02972	1.1
157.14529	5.6
162.05513	1.9
163.03885	2.1
166.09734	1.7
166.99808	1.3
168.06638	2.7
169.01280	1.8
171.04424	12.4
176.03439	4.3
179.08658	1.1
185.00798	2.3
190.04994	4.6
191.03389	2.4
194.04459	1.4
200.01930	2.9
201.02225	1.2
218.04477	40.0
219.02901	2.8
223.03925	1.3
234.03926	2.4
236.05237	5.1
241.04929	19.2
242.07945	1.4
260.06885	1.7
267.06564	2.3
268.07117	1.5
269.04456	29.4
270.04871	1.5
278.07745	33.8
279.07898	1.7
280.04495	2.1
287.05322	10.1
291.06546	1.5
292.09854	3.0
293.07916	2.4
296.08780	8.1
297.07709	4.7
309.07639	2.0
312.08405	1.4
320.09201	16.7
321.07443	2.4
329.19794	2.1
338.10199	10.4
338.14120	1.8
356.11365	3.1
362.11487	1.5
363.09756	1.2
380.12427	43.6
381.13062	2.4
391.98502	1.2
398.13449	34.3
416.14359	15.6
417.11401	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05653	7.2
60.08173	1.2
68.05033	7.9
68.99800	8.1
69.03414	3.1
69.05807	4.6
70.06591	43.9
70.83729	1.8
71.04982	2.8
72.05626	4.0
73.06418	100.0
80.05009	2.8
83.03578	1.2
83.99230	1.1
84.02751	1.2
91.05438	1.7
91.28850	1.1
94.06561	1.5
95.06087	1.9
95.65033	1.1
96.04496	8.8
104.10726	3.7
108.08077	3.0
109.02892	1.3
109.08857	1.4
110.07117	1.4
111.07934	1.8
112.08719	34.6
119.04932	1.6
121.06506	8.8
122.06046	2.8
123.04372	1.3
128.08199	9.7
129.08975	30.0
130.09761	26.7
136.79727	1.3
137.08345	13.3
147.04390	6.7
147.05470	2.4
148.03906	1.9
150.05496	3.1
151.03883	4.6
152.07033	2.6
153.07848	3.2
154.08556	1.4
162.05496	1.3
163.03906	1.6
165.06592	3.2
165.12372	1.3
166.99733	5.9
175.03958	1.5
176.03409	7.8
176.08255	1.6
177.01938	1.2
182.08125	1.7
184.99280	1.9
185.00812	20.2
190.04968	5.5
191.03394	3.4
192.06439	1.5
194.04398	2.5
207.02873	1.7
210.08780	1.9
218.04477	46.3
219.02769	2.3
219.04805	1.7
236.05632	4.3
236.06569	4.7
236.10344	3.1
247.88318	1.4
259.06033	1.5
260.06644	3.6
261.05115	2.2
278.07709	42.5
279.08081	2.6
287.05496	20.5
296.08777	14.3
309.07657	1.8
338.10217	13.2
356.11349	5.5
380.12634	6.1
398.13422	80.9
399.13794	7.2
416.15054	18.2
417.15787	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	3.3
67.01849	2.1
68.99783	9.5
70.02951	1.3
71.59736	0.6
72.25210	0.7
82.02902	0.7
84.08157	0.9
91.05491	2.5
91.38465	0.6
92.01363	1.1
95.04932	0.7
102.17401	0.6
103.05454	10.4
103.45293	0.6
105.03389	1.8
105.07005	1.6
110.02400	9.0
110.06030	1.4
115.05473	1.8
124.01880	0.6
129.06966	1.9
131.03957	1.3
131.04919	23.1
132.24371	0.7
135.00755	0.9
137.02316	0.7
138.01849	79.6
139.02158	1.4
140.03404	1.1
141.06956	1.8
147.08028	1.0
155.04893	0.7
156.02953	3.1
157.06564	1.6
163.00276	5.9
164.03450	1.2
165.01819	0.6
166.01347	93.2
167.01878	2.8
168.02904	4.1
169.06534	1.2
171.04300	0.7
173.05939	1.5
184.02400	14.2
185.00768	1.1
190.99744	13.8
197.05930	2.4
199.07610	1.1
200.07092	0.8
207.02881	1.7
209.00807	16.7
214.08662	1.9
224.07133	1.0
225.05444	29.9
226.05676	1.1
242.08113	21.3
248.29861	0.7
253.04945	1.4
267.06601	2.2
270.07593	100.0
271.08115	6.1
285.07526	3.7
294.07584	0.7
295.06024	21.3
296.06393	1.3
313.06744	0.7
361.52563	0.7
398.13705	1.4
399.12161	2.4
416.17175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	3.1
56.66950	0.4
64.69949	0.5
67.01865	2.6
68.99776	8.9
69.85267	1.4
70.02939	1.4
71.90915	0.5
73.06365	0.5
80.59286	0.5
81.31090	0.5
84.08147	1.3
91.05467	2.7
92.01375	1.2
93.73422	0.5
93.74825	0.5
95.01347	0.6
95.04940	0.5
98.02399	0.9
103.05456	6.9
105.03392	2.5
105.04533	0.5
105.07027	1.4
106.06538	0.5
110.02396	8.1
115.05467	1.3
129.06979	1.3
131.04913	15.3
131.05899	0.8
134.01900	0.5
138.01845	72.1
138.34084	0.4
139.02142	2.2
140.03394	1.0
141.06966	1.3
141.60727	0.5
147.08003	0.7
155.04916	0.7
156.02892	3.7
157.06508	1.2
163.00256	5.5
164.03441	1.3
166.01341	85.8
167.01764	2.4
167.07108	0.5
168.02869	3.9
169.06482	1.1
177.19518	0.4
184.02402	19.7
185.00879	0.4
185.02812	0.4
190.99724	10.9
193.06424	0.6
195.02809	0.8
196.07487	0.4
197.05904	1.4
200.07098	0.7
206.38094	0.4
207.02899	1.2
209.00793	15.4
214.08580	2.0
221.06053	0.7
224.07036	0.6
225.05443	27.8
226.05785	1.3
226.38544	0.5
242.08092	23.1
243.08417	1.1
250.03418	0.7
252.06503	1.0
253.04933	0.9
263.82645	0.6
267.06461	2.3
270.07581	100.0
271.08066	6.3
283.02496	0.6
285.07532	0.6
294.07498	0.6
295.05963	17.9
296.06030	1.3
305.64014	0.5
311.09116	1.1
339.74832	0.5
371.12628	0.6
398.13803	1.3
399.12338	2.4
416.16354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	4.2
66.66684	0.7
68.00941	0.8
68.05029	1.4
69.03409	5.8
69.05823	2.0
69.35672	4.2
70.06576	1.2
73.94629	0.8
78.03452	3.7
80.05019	0.9
88.33252	0.8
89.62531	0.7
91.05481	2.3
96.04473	6.2
97.02881	5.6
98.22693	1.7
102.25631	0.9
103.05454	0.9
105.07034	0.8
106.02908	68.8
107.03236	1.1
110.06055	2.4
121.06519	6.7
124.03944	7.1
129.05455	1.8
131.04918	3.3
134.02365	100.0
135.02774	1.7
136.03931	1.0
136.07640	1.2
138.05487	12.6
139.03867	2.3
147.04370	1.2
156.06577	1.7
162.05547	1.3
163.07555	1.8
164.07082	2.5
165.01813	1.0
166.04987	90.0
167.05342	3.1
167.07022	1.2
173.83952	0.8
180.52075	0.9
192.06543	7.1
198.07602	55.8
199.07925	1.6
202.04958	4.4
216.08650	89.9
217.09041	2.1
220.06036	1.6
227.41751	0.9
230.04492	2.4
234.07678	1.8
248.05574	1.0
251.07220	0.8
252.08685	11.7
262.07126	4.5
267.06500	9.3
276.08673	1.4
280.08139	5.7
283.02426	0.9
293.07950	1.3
294.09900	1.0
297.07550	4.7
307.09665	1.4
309.57245	0.8
312.10742	32.3
313.11124	1.2
321.07599	2.4
338.10889	0.9
351.08499	1.2
371.02304	0.8
381.09390	0.9
384.10870	1.0
416.16998	85.9
416.50589	0.9
417.12439	1.2
417.17334	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	416.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66223	0.4
57.03430	1.7
57.59588	0.5
58.10355	0.4
60.05647	6.5
66.97918	0.4
67.05504	0.6
68.99785	0.9
69.97138	1.3
70.06588	74.9
71.06924	0.7
72.05646	0.7
79.05485	1.2
79.33089	0.4
83.01334	0.7
83.06100	5.5
91.05481	3.3
93.78635	0.6
95.04955	1.6
95.06076	2.3
97.06508	1.1
103.05451	1.4
107.04956	1.8
109.02848	0.7
109.06528	0.9
111.45361	0.4
112.08721	12.4
119.04936	4.0
121.06670	0.4
123.04423	1.0
125.05978	1.6
131.04927	3.6
135.04375	1.1
137.05981	4.0
147.04378	3.6
149.86757	0.4
151.03874	0.6
153.01784	0.5
157.02823	0.6
165.01862	0.9
165.05470	1.4
169.01366	0.9
175.03897	6.6
179.03409	1.2
181.01312	4.5
183.02870	1.0
193.04944	9.5
195.02905	0.7
196.02484	1.4
199.02399	1.7
203.03351	2.6
209.04510	0.7
218.04419	0.7
221.04436	79.0
222.04793	3.3
238.07169	0.6
239.05449	2.5
243.08160	0.5
245.05562	0.7
246.03940	2.3
261.09427	0.5
263.06461	2.5
264.04959	0.9
280.09283	4.6
283.09683	2.6
289.08749	0.7
300.08533	0.5
325.10806	2.3
342.13553	0.6
350.10059	0.7
367.12820	1.7
384.15509	100.0
385.15820	7.0
416.18127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01862	1.6
55.05512	0.9
56.03796	1.1
57.03437	2.6
58.06591	2.5
60.05637	2.5
60.08161	12.1
63.12772	1.0
65.03930	1.6
67.05499	4.4
68.05016	4.0
68.99799	5.0
69.03427	4.0
69.05794	1.4
70.06590	31.1
71.04989	3.6
72.04513	3.5
72.05646	1.8
72.08147	12.9
73.02911	3.1
73.06420	37.7
79.05515	1.3
80.05048	1.2
80.21118	0.8
81.03408	7.5
81.07043	1.0
82.06558	1.7
84.08131	5.5
85.02905	7.8
86.06071	1.0
87.38938	0.8
91.05476	1.5
93.03405	1.6
93.07061	1.7
93.14782	0.8
94.06576	1.0
95.04969	1.9
95.08585	7.2
96.04495	2.7
96.08139	1.7
97.02883	2.7
98.09692	2.9
100.07613	54.1
102.48607	0.8
104.10739	65.2
105.03416	1.0
105.11073	1.1
108.04454	1.0
108.08131	3.3
109.02881	3.3
110.09663	7.5
111.04468	2.1
112.08723	14.4
119.04958	1.1
120.04543	0.9
120.08097	1.1
121.06456	4.3
122.06041	2.0
123.08054	18.5
123.10412	1.1
124.08490	1.0
124.11225	3.9
125.06003	1.2
126.09186	1.9
127.03923	2.7
128.08191	3.4
128.10695	0.9
129.08983	11.4
129.10008	1.0
129.10196	0.7
130.09772	9.9
130.87563	0.9
131.04947	1.4
136.07617	1.2
137.05881	1.0
138.05513	1.1
139.00320	0.9
141.05409	0.9
143.98381	0.8
145.04950	1.8
147.04449	4.3
148.03908	1.5
150.05481	1.6
151.03897	51.7
151.04916	2.7
152.04277	1.4
152.10623	1.3
154.08623	4.0
154.09746	1.3
168.10239	2.5
169.13364	1.1
174.12918	0.9
176.03467	2.5
176.14352	3.3
178.15944	1.6
185.00795	7.6
187.14362	5.6
190.05037	2.4
191.03366	1.2
194.15395	5.6
195.15862	0.9
198.08746	1.7
204.17090	6.9
210.08833	1.4
218.02502	1.8
218.04468	17.5
219.03012	1.1
222.14919	1.8
236.05423	2.0
240.15904	5.2
256.20291	1.2
278.07736	11.3
287.05435	10.6
296.08835	7.3
308.23181	1.5
310.24881	3.0
321.04099	1.1
326.24399	5.5
338.10275	3.6
339.10968	1.0
344.25473	3.4
354.23874	2.3
356.11288	3.7
372.24911	3.3
380.12561	2.1
398.13504	22.0
398.22079	0.9
399.13583	2.1
401.16940	2.5
416.14603	5.1
416.19147	100.0
416.23959	13.5
417.19592	6.2
418.46005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00583	1.7
53.03943	16.7
54.80246	1.8
55.01858	3.6
57.03431	4.4
61.02925	5.4
69.03423	51.8
70.22176	4.6
71.04986	4.8
73.02912	4.4
80.05007	3.7
80.67517	1.9
81.02959	4.4
81.03410	56.3
83.01331	2.7
85.02899	53.0
85.66621	1.8
97.02884	28.9
99.04454	16.1
103.03971	3.4
103.05467	5.1
105.07033	2.5
107.04943	9.6
108.04469	36.6
109.02866	49.7
126.05495	7.6
127.03909	58.6
127.04865	2.8
128.04214	2.0
131.04913	2.5
133.05003	2.3
135.08015	4.0
139.03894	6.7
145.04947	16.1
147.04309	2.2
152.06178	2.3
154.06239	40.3
156.39848	2.1
163.07532	28.8
167.06998	5.6
169.04971	8.3
173.06030	2.4
187.06003	43.9
187.07571	3.0
195.10158	100.0
195.11955	4.9
196.10535	5.4
204.08672	10.5
205.07043	27.5
205.08743	3.2
238.69910	2.2
303.05212	2.3
312.12790	2.2
343.37006	2.1
399.10236	2.2
417.11511	4.2
427.09485	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	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.5
55.01865	10.3
55.05508	1.5
57.03434	4.6
57.07068	3.4
60.04531	1.6
61.02912	6.6
68.99781	6.4
69.03426	36.7
70.06570	2.9
71.05000	6.5
72.05621	1.6
73.02916	7.5
73.13073	0.9
79.57329	1.1
81.03416	28.6
84.08161	2.0
85.02897	100.0
86.03245	1.8
87.00822	34.5
91.03946	2.7
91.05430	1.3
94.61422	1.0
97.02888	37.0
99.04455	16.7
101.02350	1.3
103.03944	3.5
103.05450	3.4
105.01862	36.2
105.07019	1.3
106.06551	4.0
107.04942	1.0
108.04443	9.8
109.02870	34.2
110.06019	4.8
112.08755	1.4
115.03947	1.5
117.01852	4.4
117.36590	1.0
119.04959	1.9
119.41710	1.1
126.05527	4.3
127.03905	82.5
128.04295	1.5
128.07079	2.1
129.01843	4.6
131.04906	10.2
137.02321	1.9
138.01869	6.4
141.01726	1.2
144.06580	1.0
145.04950	48.1
147.02875	4.8
147.04391	8.4
157.89378	1.1
159.02890	28.5
166.01308	7.6
171.03015	2.2
175.87859	1.0
178.01363	3.5
179.03368	1.9
184.02365	1.4
185.06006	1.5
189.03859	8.7
193.01340	1.6
200.98451	1.5
207.02846	13.4
209.00867	1.5
213.03983	3.3
217.12251	3.4
221.04469	4.3
225.05524	2.4
230.06606	2.8
231.04984	20.1
242.08092	2.8
248.07634	5.6
249.05972	2.3
259.13300	2.7
263.20041	1.3
264.04916	1.5
266.08566	1.4
270.07571	9.8
276.15195	1.2
282.05676	1.2
283.02332	2.7
296.86279	1.3
311.09161	7.8
312.08734	3.7
338.06519	3.2
384.10718	7.1
384.14954	1.2
385.08755	1.5
416.17929	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	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01862	1.6
55.05512	0.9
56.03796	1.1
57.03437	2.6
58.06591	2.5
60.05637	2.5
60.08161	12.1
63.12772	1.0
65.03930	1.6
67.05499	4.4
68.05016	4.0
68.99799	5.0
69.03427	4.0
69.05794	1.4
70.06590	31.1
71.04989	3.6
72.04513	3.5
72.05646	1.8
72.08147	12.9
73.02911	3.1
73.06420	37.7
79.05515	1.3
80.05048	1.2
80.21118	0.8
81.03408	7.5
81.07043	1.0
82.06558	1.7
84.08131	5.5
85.02905	7.8
86.06071	1.0
87.38938	0.8
91.05476	1.5
93.03405	1.6
93.07061	1.7
93.14782	0.8
94.06576	1.0
95.04969	1.9
95.08585	7.2
96.04495	2.7
96.08139	1.7
97.02883	2.7
98.09692	2.9
100.07613	54.1
102.48607	0.8
104.10739	65.2
105.03416	1.0
105.11073	1.1
108.04454	1.0
108.08131	3.3
109.02881	3.3
110.09663	7.5
111.04468	2.1
112.08723	14.4
119.04958	1.1
120.04543	0.9
120.08097	1.1
121.06456	4.3
122.06041	2.0
123.08054	18.5
123.10412	1.1
124.08490	1.0
124.11225	3.9
125.06003	1.2
126.09186	1.9
127.03923	2.7
128.08191	3.4
128.10695	0.9
129.08983	11.4
129.10008	1.0
129.10196	0.7
130.09772	9.9
130.87563	0.9
131.04947	1.4
136.07617	1.2
137.05881	1.0
138.05513	1.1
139.00320	0.9
141.05409	0.9
143.98381	0.8
145.04950	1.8
147.04449	4.3
148.03908	1.5
150.05481	1.6
151.03897	51.7
151.04916	2.7
152.04277	1.4
152.10623	1.3
154.08623	4.0
154.09746	1.3
168.10239	2.5
169.13364	1.1
174.12918	0.9
176.03467	2.5
176.14352	3.3
178.15944	1.6
185.00795	7.6
187.14362	5.6
190.05037	2.4
191.03366	1.2
194.15395	5.6
195.15862	0.9
198.08746	1.7
204.17090	6.9
210.08833	1.4
218.02502	1.8
218.04468	17.5
219.03012	1.1
222.14919	1.8
236.05423	2.0
240.15904	5.2
256.20291	1.2
278.07736	11.3
287.05435	10.6
296.08835	7.3
308.23181	1.5
310.24881	3.0
321.04099	1.1
326.24399	5.5
338.10275	3.6
339.10968	1.0
344.25473	3.4
354.23874	2.3
356.11288	3.7
372.24911	3.3
380.12561	2.1
398.13504	22.0
398.22079	0.9
399.13583	2.1
401.16940	2.5
416.14603	5.1
416.19147	100.0
416.23959	13.5
417.19592	6.2
418.46005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34794	0.3
54.58186	0.4
55.01866	0.4
55.05510	0.5
55.69918	0.3
57.03428	0.6
69.03421	1.2
70.06594	3.6
70.56315	0.6
71.04996	0.5
72.08151	6.9
79.05496	0.4
81.03404	0.4
84.04512	1.0
84.08125	2.6
85.02901	4.0
86.09704	6.8
87.04464	100.0
88.04810	1.3
89.06022	1.3
91.44760	0.4
97.02898	1.4
98.22800	0.6
103.03910	0.5
116.07082	0.5
121.02860	0.9
124.03934	1.0
127.03947	1.0
129.10220	1.1
130.05045	0.4
133.00995	0.4
133.08591	0.6
134.10651	0.4
137.02354	4.5
137.03381	0.8
144.49031	0.4
147.04404	0.8
154.04985	0.5
157.13321	0.5
159.07872	0.4
165.05487	0.5
185.16530	0.8
205.11798	0.6
213.15967	1.1
221.08101	0.6
237.13319	12.4
238.13683	0.4
271.05942	0.6
345.97702	0.4
355.08093	0.8
399.10556	0.5
416.17963	0.4
417.11523	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	416.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01870	0.7
55.05508	3.2
56.03769	0.6
56.05022	0.9
57.03428	1.7
58.06593	4.2
60.05649	2.9
60.08157	2.3
61.86100	0.5
64.63545	0.6
65.03961	0.7
67.05503	9.5
68.05034	3.5
68.99786	4.6
69.03416	2.4
69.05804	1.7
69.07063	0.6
70.06591	33.8
70.82773	1.1
71.04996	3.1
71.06953	0.8
72.04515	5.5
72.05635	0.8
72.08153	27.2
73.02908	0.9
73.06419	33.3
73.09427	0.6
79.05489	2.5
80.05014	2.4
81.03414	16.8
81.07056	1.7
82.06556	1.5
84.08134	7.2
85.02899	2.6
86.06058	1.0
88.07644	0.6
91.05477	2.2
93.07035	4.8
94.04192	2.0
94.06563	2.4
95.04973	4.2
95.06086	0.7
95.08604	24.4
95.09219	1.2
96.04479	2.2
96.08132	1.4
96.08945	0.7
97.02907	1.1
97.08897	0.7
98.06049	0.7
98.09694	2.7
100.07613	100.0
101.07951	2.2
103.05459	1.0
103.39149	0.5
104.10740	15.5
105.05383	0.7
105.07010	1.9
107.04926	0.7
107.08572	0.7
108.08122	3.7
109.02866	1.5
109.06535	0.7
110.06026	1.3
110.09679	13.2
111.04430	0.9
111.10432	0.8
112.07555	0.9
112.08714	8.8
114.10286	2.0
117.10269	1.0
119.04985	0.6
119.08521	0.9
120.08141	1.2
121.06476	4.2
122.06004	1.0
122.09676	1.5
123.04444	1.1
123.08064	46.1
124.03995	0.8
124.08402	2.0
124.11240	9.5
126.09130	2.9
127.03901	0.7
127.12308	1.4
128.08202	2.3
128.10725	1.5
129.08997	8.8
129.09998	0.8
129.10324	0.6
130.09764	6.8
131.04936	2.0
132.08063	0.8
134.09650	1.1
137.05980	1.3
137.07095	0.6
138.05492	1.1
139.00240	0.8
142.08617	1.3
147.04419	2.1
148.08667	0.6
148.11160	0.9
150.05469	1.7
151.03897	12.9
151.04997	1.2
152.10756	2.6
154.08615	5.5
154.09738	1.3
156.06523	0.8
163.03879	1.6
165.05466	0.6
166.99770	1.3
168.10168	3.7
169.08636	1.1
169.13362	1.2
171.11290	1.1
173.09460	0.6
174.12799	1.6
176.03404	2.0
176.14317	6.8
178.15880	4.0
180.06444	0.8
182.09303	1.4
185.00818	7.0
187.03865	0.7
187.14412	14.3
190.05008	2.0
191.03374	1.5
194.04541	0.7
194.15414	2.9
196.10789	0.9
198.08665	3.1
204.17055	20.9
205.17429	0.8
206.15315	0.8
209.04436	1.0
212.16431	0.8
213.07573	1.6
218.04471	14.0
219.02872	1.3
219.04872	0.6
222.14854	2.7
226.08231	1.0
236.06587	1.7
236.16544	1.2
238.18019	1.3
240.15930	7.9
250.08379	1.0
254.17674	0.8
256.20166	3.9
267.10040	0.7
268.15405	1.6
278.07727	10.5
284.15027	1.1
287.05466	7.0
288.05756	0.9
294.07288	1.9
296.08789	5.4
308.23282	3.4
310.24866	10.1
326.14954	0.9
326.24402	1.6
336.22910	0.6
338.10190	5.0
344.16049	1.6
344.25397	6.0
354.23907	5.4
356.11563	2.6
372.15485	0.7
372.25049	3.7
380.12164	1.7
398.13461	17.9
398.22342	0.9
399.13651	2.1
416.14365	3.9
416.18982	17.8
416.23929	25.6
417.19089	1.8
417.24158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
53.07204	0.6
53.41175	0.5
55.01862	1.4
55.05516	1.4
56.05023	1.7
57.03434	4.9
58.06596	3.7
58.78969	0.7
60.08151	1.1
60.99878	0.6
61.02910	0.7
62.48407	0.5
67.05512	3.4
68.05030	0.7
68.99785	1.8
69.03416	2.4
69.07069	1.1
70.06590	22.7
71.04971	1.5
71.06908	1.0
72.04514	7.1
72.08154	16.6
73.06421	7.9
79.05483	2.3
80.05025	1.2
81.03421	1.8
81.07041	1.2
82.06573	1.9
83.04988	0.9
84.04507	3.4
84.08139	7.3
85.02908	5.5
85.04028	0.5
86.00630	1.1
86.06042	1.3
91.05470	2.8
93.07061	1.8
94.06559	1.4
95.04963	2.1
95.07347	1.1
95.08598	4.1
96.04480	0.6
96.08138	2.3
97.02872	1.4
97.06541	3.3
97.08919	1.5
98.06065	1.0
98.09695	6.5
99.04460	0.7
100.07614	100.0
101.07139	0.6
101.07925	1.8
103.05460	0.9
104.10754	4.6
105.03381	2.9
105.04462	0.9
105.07014	1.5
106.03730	0.8
106.06549	1.1
107.04964	1.9
107.08591	1.7
108.04494	0.9
108.08087	5.2
109.02893	1.4
109.06532	1.2
109.10070	0.9
110.06043	2.4
110.09679	12.4
111.10522	1.3
112.08729	3.5
113.01733	0.6
114.10272	0.8
115.05486	1.0
115.07530	0.9
116.98636	0.8
117.10305	0.8
119.04974	1.3
119.05983	0.6
119.08587	1.2
120.08135	1.2
121.06489	2.5
122.09652	2.1
123.08057	5.6
123.10463	0.7
124.11219	2.9
126.09143	3.0
127.03903	1.1
127.12318	1.3
128.07124	0.9
128.08154	0.9
129.06964	1.3
129.08954	1.7
129.10237	1.3
130.04947	3.7
130.09741	2.1
131.04921	2.5
132.01172	1.4
134.09621	0.8
136.07558	1.4
137.08377	1.1
138.12685	0.8
139.03857	0.8
141.06984	0.6
142.08627	2.6
145.05032	0.9
147.04376	1.8
147.05473	0.7
147.08049	1.2
148.06317	1.0
149.05991	0.9
149.07086	0.9
150.05536	1.3
151.03908	3.8
151.07524	1.1
154.08618	6.8
155.04913	2.2
163.03914	2.3
165.06668	1.6
168.06595	0.8
168.10188	8.2
169.05042	0.9
169.10483	0.9
169.13330	1.5
171.11397	0.7
173.05991	0.7
176.14342	3.1
176.88068	0.6
178.04936	1.1
178.15875	1.4
181.04944	0.9
181.06520	0.9
182.11714	1.1
185.00842	2.3
186.01028	0.7
187.03888	2.2
187.14429	9.1
189.45204	0.6
192.13864	0.7
194.15398	18.8
195.15730	1.2
204.17114	2.5
210.08963	0.8
212.16521	1.7
218.04445	4.6
222.14885	2.2
224.07285	0.8
225.05524	1.1
230.18561	1.2
236.16559	1.8
238.14383	1.1
238.17961	2.9
240.15932	13.8
242.08072	0.9
253.04985	1.8
255.09818	0.7
258.18604	0.7
267.06680	1.0
268.06378	1.1
268.15421	2.7
278.07803	2.3
280.08130	2.1
283.05966	1.2
284.06384	3.9
284.09018	0.7
284.14948	1.9
287.05316	1.7
294.07828	1.0
296.06097	1.3
296.08945	1.4
308.23248	0.9
310.07840	1.6
310.24802	2.2
326.24384	17.5
327.24908	0.7
338.06961	3.1
338.10696	1.3
344.17056	0.8
344.25302	3.1
350.07141	0.7
354.10004	0.7
354.23792	1.0
368.08527	1.5
371.12418	1.7
372.24896	5.9
382.09167	2.6
398.13556	4.5
399.11780	6.4
416.13373	2.0
416.18823	4.0
416.23856	22.4
417.12286	0.8
417.24005	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	416.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62829	3.7
56.41203	4.0
57.07076	39.2
65.61814	4.1
71.08624	23.3
81.07053	4.6
85.10170	17.0
89.06030	100.0
91.05472	6.6
93.06986	6.2
98.53959	4.2
105.07018	6.1
107.07085	6.0
109.10136	5.3
119.08571	43.9
120.08914	28.4
133.08621	25.8
151.09636	80.9
171.11691	5.6
214.32347	4.8
319.28418	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
56.42626	0.4
59.04997	100.0
60.05327	1.2
62.63291	0.5
65.03933	0.7
66.82729	0.4
67.05511	0.6
68.99788	2.0
69.03438	0.7
69.12345	0.8
69.12746	2.0
70.06564	0.6
73.06564	1.1
79.05480	1.3
80.14644	0.4
81.03472	0.4
81.07047	0.5
85.02905	0.5
86.09705	0.8
87.04473	1.2
89.06026	5.1
91.05486	2.1
92.99733	0.5
93.07027	0.9
95.04943	1.1
95.08608	0.8
97.06522	0.7
98.23455	0.6
103.07573	80.8
104.07906	1.3
105.07023	1.9
107.04964	1.2
109.06519	0.9
111.04421	0.4
115.05447	0.4
117.07006	0.9
117.09129	0.9
117.69559	0.4
119.04927	4.5
119.08530	0.6
121.02860	12.7
121.03830	0.8
121.06509	0.9
122.03179	1.7
122.06004	0.4
123.00732	0.5
123.08063	2.2
125.06001	1.0
131.04945	0.6
133.06441	0.9
133.08595	3.4
135.04387	0.7
137.02345	2.7
137.05957	0.7
139.07452	0.4
145.02809	1.2
145.06502	0.7
147.04396	13.3
147.10150	29.6
148.04686	0.6
148.10490	0.5
149.05984	0.7
151.07512	0.8
153.01778	0.5
159.04526	0.5
161.06076	0.6
163.03915	3.8
163.07425	0.7
165.01822	0.7
165.05389	0.7
167.07043	2.5
169.08633	0.5
171.04407	0.7
173.05968	2.1
175.03810	0.6
175.07574	0.5
177.05431	0.9
177.11212	0.5
179.03320	0.5
179.07082	1.0
181.04959	0.8
182.99220	0.9
187.03903	1.2
187.62782	0.4
189.05458	1.5
191.06967	1.8
191.12813	2.1
193.04984	1.0
197.08081	0.5
201.00339	0.4
201.05449	0.8
219.06453	1.5
221.04330	0.7
223.05966	0.6
227.83716	0.5
229.04890	1.9
231.02710	0.5
235.05911	0.6
235.15370	0.5
237.07455	1.1
239.07085	0.8
240.07368	0.6
247.05998	5.0
255.06648	2.2
265.07001	5.2
267.06348	0.7
267.10098	1.2
268.10318	0.6
269.11014	1.3
273.03909	3.5
273.06668	0.6
279.06421	1.7
281.11520	1.3
283.09421	1.5
285.03647	0.4
286.04187	1.1
290.03656	0.5
291.09985	1.3
293.07919	1.1
297.10266	0.5
297.18866	0.6
299.05499	0.6
307.09555	0.7
309.11002	1.4
310.11279	0.7
323.09045	0.5
325.10342	0.6
335.09048	0.9
337.06693	0.5
337.10632	0.8
338.10800	0.6
340.08838	0.8
353.10046	3.0
354.10458	1.3
355.11530	0.6
366.10242	1.2
367.11801	4.0
371.11203	19.3
373.18283	0.8
384.11377	1.2
398.13260	0.7
399.10703	21.9
399.25638	1.7
416.10272	1.6
416.15210	0.9
416.19940	4.9
416.28595	6.4
417.11493	2.6
417.17087	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	416.9873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29458	1.6
56.96564	13.0
57.48854	1.6
59.63758	1.4
69.15487	10.8
98.23455	2.3
98.97575	90.9
100.97170	1.9
116.98610	62.9
134.99657	26.5
153.00706	4.2
172.94318	2.1
174.18764	1.5
177.00983	3.8
190.95451	3.1
192.98853	3.9
197.23889	1.4
216.98923	3.3
219.02051	3.1
221.01759	2.2
232.96507	8.5
234.99937	9.4
236.00089	3.8
236.99706	4.1
240.98923	2.6
243.01973	2.7
250.97572	6.2
253.00996	2.6
256.96353	14.7
258.99893	30.1
260.00171	11.9
260.99762	11.6
261.02649	12.5
261.99872	2.5
262.03271	4.9
263.02838	3.1
274.97488	100.0
275.97922	5.2
276.97592	8.6
277.00919	29.2
278.01056	11.9
279.00781	13.8
282.99985	35.0
284.00055	18.7
284.99741	17.2
285.99899	4.4
286.99951	1.9
288.92053	2.7
292.98544	53.5
293.98965	1.8
294.98611	4.2
297.99084	2.1
298.97876	7.3
300.97781	3.4
301.01013	50.4
301.97830	1.8
302.01108	26.3
303.00772	24.9
304.01007	7.8
316.95554	1.8
316.98868	8.2
317.98856	3.6
318.98621	6.9
319.02020	2.3
320.01953	2.1
321.01837	2.3
358.96735	1.9
360.00531	2.4
398.97583	5.8
401.01089	3.6
402.01218	3.2
403.00815	2.4
416.99036	12.5
425.01062	15.6
426.01355	8.6
427.00998	11.1
427.83844	1.8
428.01389	3.3
434.95621	2.2
443.02457	24.8
444.02478	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1177
Annotation	Chrysin 6-C-glucopyranoside
Peak:m/z	Relative Intensity
55.01862	2.2
65.03912	1.4
67.05481	1.1
68.70546	1.0
68.99786	7.5
69.07076	1.3
69.95697	1.3
69.96036	2.6
70.94617	0.9
71.21849	1.0
73.02908	3.7
79.05489	3.3
81.03409	3.7
83.58468	0.9
86.09700	2.8
89.06030	2.8
91.05476	5.4
93.07036	2.0
95.04976	3.6
95.08612	1.9
97.02877	1.2
97.06538	1.8
103.05444	1.6
105.03379	1.1
105.07021	3.0
107.04947	3.7
109.02865	1.2
109.06539	1.1
111.04379	1.3
117.07003	2.4
119.04937	6.6
119.08593	1.1
121.02876	7.7
121.06532	2.0
123.04451	1.9
123.08074	2.8
127.03870	1.1
129.07065	0.9
131.04968	1.2
133.06476	2.8
133.08598	2.0
135.04391	4.9
135.07994	1.8
137.02341	84.7
137.03430	5.6
138.02693	3.1
139.03943	1.4
145.06482	2.2
147.04396	22.6
147.08040	2.5
148.04926	1.0
149.02289	1.3
149.06000	5.9
149.67107	1.0
151.03918	1.5
151.07518	1.6
153.05510	1.3
160.39572	1.0
161.02351	3.5
161.05998	1.9
163.03880	1.9
163.07552	3.0
165.01770	1.0
167.07072	3.6
169.05049	1.7
173.06009	2.9
175.03871	1.3
175.07562	3.7
177.05428	6.4
179.03397	5.5
189.05443	2.2
191.03398	1.2
191.06995	2.3
193.04950	4.7
193.08635	2.3
195.06294	1.0
201.05519	1.9
203.07086	2.3
205.04897	1.1
211.07674	1.3
219.06526	2.9
221.04449	2.4
221.08173	1.3
227.06990	1.6
229.04866	1.3
231.06580	1.7
237.07523	1.5
237.72693	1.0
241.08458	1.3
243.06688	0.9
247.06027	4.2
255.06488	13.2
256.07074	0.9
257.07953	1.3
258.05304	1.1
265.07083	2.7
267.06506	1.6
268.07318	5.4
269.07959	3.2
270.05002	1.1
271.05972	7.5
281.08093	2.2
283.06055	3.5
283.09619	26.3
284.06744	1.7
284.09955	1.3
285.07742	1.4
293.07944	1.9
295.06299	1.6
295.09668	4.3
297.10599	1.6
299.05557	3.5
299.09189	3.4
299.12674	2.1
303.05060	1.7
307.09833	1.5
309.07657	2.1
309.11038	2.3
311.09052	8.0
311.49750	1.0
313.07166	1.6
313.10681	3.0
325.10873	4.5
327.08652	8.9
327.12305	4.2
337.10745	1.7
339.08502	1.2
343.11823	2.1
345.09933	1.2
353.10107	4.2
355.08051	9.8
355.11853	10.3
367.12042	2.6
371.11258	13.3
373.08734	1.0
373.12811	15.3
381.09653	3.7
399.10660	34.4
400.11041	2.4
417.11795	100.0
417.16995	8.3
418.12180	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	417.118
Annotation	Chrysin 6-C-glucopyranoside
Peak:m/z	Relative Intensity
50.39309	0.5
56.00843	0.6
56.21488	0.5
60.71648	0.6
67.05475	0.6
68.99787	3.3
69.03407	0.6
70.19161	1.3
71.04953	1.3
75.56697	0.5
79.05480	1.3
85.02891	2.6
86.09695	0.6
91.05460	4.7
95.04948	3.7
96.46457	0.5
105.07018	1.8
107.01299	1.1
107.04940	21.8
107.08582	0.9
108.05317	0.8
109.06509	0.8
110.34445	0.6
115.05397	0.8
117.06979	3.1
119.04919	6.9
121.02847	5.4
121.06515	1.5
123.04445	1.1
123.08030	0.6
125.65099	0.6
127.03950	0.7
133.06451	0.9
135.04391	1.1
135.08043	39.8
136.08458	1.0
137.02332	17.2
137.03349	1.3
137.05928	0.9
139.00195	0.6
145.06480	3.8
147.04395	19.4
149.05972	1.9
153.05472	1.2
161.02296	1.9
161.06046	0.8
163.07523	100.0
164.07820	1.2
165.01846	1.5
165.05464	4.6
173.05954	0.8
175.07489	1.4
177.05426	1.2
179.03316	1.1
181.08586	9.3
189.05421	1.6
191.07010	1.5
193.04930	1.3
201.05490	1.0
219.06512	2.4
219.29990	0.6
220.09662	56.0
221.04466	1.3
221.08029	0.8
221.09995	1.4
227.07002	1.0
229.04977	1.3
237.07487	0.7
238.10759	4.2
241.05014	0.7
241.08546	2.0
247.05997	3.0
255.06462	2.5
256.54996	0.6
261.07492	0.6
265.06934	0.8
269.04401	1.0
270.05157	1.0
271.06055	4.6
281.08002	0.9
282.05212	6.0
283.06189	1.4
283.09647	3.8
284.09930	0.7
297.09814	1.7
299.06116	0.8
299.08969	3.3
307.09686	0.9
309.07535	0.9
311.09073	1.7
312.05972	0.7
314.04379	0.7
315.04852	3.6
325.10715	1.6
326.04065	2.7
327.08517	5.5
328.09015	0.7
335.09512	0.8
337.06992	1.1
339.08459	0.8
339.12347	0.9
343.08063	4.6
349.10666	0.7
353.10190	1.3
355.08081	7.7
355.11902	2.0
367.11768	1.1
371.11340	2.0
373.12857	1.5
381.09332	1.2
399.10660	9.7
400.11160	0.7
417.11768	47.6
418.11972	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	417.1179
Annotation	Chrysin 6-C-glucopyranoside
Peak:m/z	Relative Intensity
56.00633	0.8
68.99781	6.8
69.03442	0.9
70.59200	1.3
71.04994	1.5
74.08099	0.8
75.66574	0.9
77.03248	0.8
79.05484	2.7
81.03397	1.8
85.02879	1.4
85.16461	0.8
91.05476	5.5
93.07043	1.6
95.04980	4.1
95.08601	1.2
97.02900	1.0
103.05462	1.5
105.07034	2.3
107.01325	1.4
107.04943	16.3
107.08614	1.0
109.06512	2.0
111.04429	1.3
115.05459	1.0
117.07006	2.7
119.04931	7.5
119.08596	1.7
121.02856	8.2
121.06496	1.2
127.03922	1.6
133.06506	2.0
135.04459	1.9
135.08044	27.8
137.02347	33.9
137.03436	2.6
138.02650	1.2
145.06465	3.8
147.03290	1.6
147.04407	21.8
147.08061	1.1
148.29805	0.9
149.05980	3.3
151.03973	1.0
161.02357	4.9
161.05994	1.4
163.07532	75.7
164.07944	1.1
165.01859	2.2
165.05476	7.5
165.06723	1.2
173.06000	2.7
175.07513	4.1
177.05472	3.1
179.03403	2.3
179.06943	1.0
181.07036	0.9
181.08545	6.6
189.05463	2.2
191.07050	1.6
193.04927	4.3
193.08638	0.9
199.07542	1.1
201.05382	2.1
203.03468	1.0
203.06984	0.9
209.04442	1.1
219.06490	4.0
220.09673	36.6
221.04459	2.0
227.07100	1.9
229.04869	2.2
237.07545	2.0
238.10733	2.9
241.08600	1.8
247.05969	3.6
255.06470	8.0
256.07120	0.9
257.08173	0.9
265.08923	1.1
267.06573	1.0
268.07376	2.4
269.04446	1.4
269.08084	1.0
270.05154	1.3
271.05951	12.8
281.08203	1.3
282.05173	12.2
283.05908	3.1
283.09637	7.8
284.06882	1.7
293.08118	2.0
297.10986	1.6
299.05869	1.9
299.09119	8.7
307.09473	1.5
309.07492	3.2
309.11047	1.9
311.05820	1.0
311.08997	4.0
312.06165	1.4
314.04150	3.0
315.04965	7.0
321.11279	1.2
325.07123	1.8
325.10654	2.3
326.04166	5.9
327.04907	1.1
327.08563	13.5
327.12228	1.2
329.06833	1.0
335.09091	1.2
337.06946	2.0
337.10785	2.0
339.08551	1.3
343.08139	11.0
343.11816	0.8
353.10333	2.5
355.08087	15.3
355.11893	4.7
371.11282	3.8
373.08832	1.2
373.12909	2.7
381.09830	3.3
399.10742	19.0
400.11374	1.4
417.11765	100.0
418.12253	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	417.1177
Annotation	Hemidesmin 1
Peak:m/z	Relative Intensity
50.51155	1.1
53.03941	1.3
53.08055	1.0
54.96843	1.2
55.01871	2.3
55.05497	1.3
57.03432	1.4
65.03923	2.0
67.05485	2.5
68.99796	9.1
69.03418	1.9
70.06577	2.3
71.04989	2.0
71.40997	2.0
72.04975	1.2
72.08141	1.2
77.26043	0.9
79.05486	4.6
81.03394	4.7
81.07054	2.2
85.02891	1.7
86.09690	5.2
91.05472	9.7
91.08226	1.0
93.07041	1.6
95.04950	4.0
95.08582	1.6
97.02898	1.2
97.06533	2.5
103.05491	1.7
105.03358	1.2
105.07017	2.7
107.01313	2.1
107.04982	6.7
107.08584	1.3
109.06510	2.5
111.04401	2.8
115.05423	3.3
117.06997	6.9
119.04938	11.1
119.08549	2.7
120.68150	1.0
121.02861	16.5
121.06480	3.4
123.04388	5.4
123.08042	3.6
125.02341	2.0
125.05980	1.8
127.03897	1.4
131.04880	1.4
133.02936	1.1
133.06464	4.8
135.04358	3.6
135.08018	2.7
137.02344	82.4
137.03403	6.0
137.05913	1.7
137.86151	1.2
137.89267	1.1
138.02631	1.7
139.03906	8.7
143.11723	1.6
145.06491	7.6
147.04405	43.5
147.07999	2.2
149.02332	4.9
149.05966	6.7
151.03905	3.4
151.07559	1.9
153.05415	3.1
155.06003	1.6
161.02332	2.5
161.06001	2.6
163.03882	2.6
163.07539	8.1
165.01801	2.7
165.05531	1.7
167.03329	2.7
167.07031	45.6
168.07387	1.8
173.05981	8.8
175.07559	4.6
177.05496	6.2
179.03403	3.3
181.04948	10.2
181.08585	19.0
185.00723	2.2
185.06004	2.0
189.05516	2.6
191.03355	1.7
191.06985	3.3
193.04964	3.7
193.08530	2.4
197.07980	1.3
201.05472	2.5
203.03384	1.3
203.07022	1.9
205.04944	1.5
207.06537	2.2
219.06451	5.2
221.04459	1.8
226.15790	1.0
227.06981	2.3
229.04970	3.1
233.08072	5.5
235.09590	2.3
238.10706	9.6
241.08667	2.8
247.05949	7.4
255.06544	9.1
261.07501	2.6
265.07040	5.1
267.06467	1.4
267.10046	2.8
268.07285	3.0
269.07971	2.0
271.06055	6.9
281.08093	1.1
283.06479	1.7
283.09665	25.3
284.10181	1.8
285.07693	1.3
287.05524	2.6
293.07971	2.2
295.09586	3.6
297.09763	3.3
299.05563	3.3
299.09143	4.4
303.04956	2.9
307.09528	2.5
309.07874	1.4
309.11227	2.9
311.05536	1.7
311.09021	9.6
313.10657	5.7
325.10583	4.7
327.08536	8.1
327.12231	5.4
335.08841	1.6
337.10721	1.4
341.10080	1.6
343.11792	1.6
353.10233	5.5
355.08496	6.7
355.11563	7.2
356.12238	1.5
367.11636	3.2
371.11356	14.4
373.08673	1.8
373.12823	17.6
381.09647	3.3
387.14313	5.0
399.05991	2.0
399.10718	33.2
400.11255	1.6
417.11646	100.0
417.16504	12.2
418.12070	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	417.1183
Annotation	Isofurcatain
Peak:m/z	Relative Intensity
53.03952	0.4
55.01866	0.7
55.05520	0.9
58.06596	0.5
60.08165	0.6
67.05503	1.1
68.99789	2.5
69.03429	0.9
69.07068	3.2
71.08626	0.5
79.05491	3.0
80.05825	0.3
81.07050	0.7
83.08619	0.7
83.26423	0.4
85.02892	0.5
86.06057	1.6
87.04472	2.8
89.03912	0.5
91.05457	0.5
95.01346	0.9
95.04987	0.6
95.08569	0.5
97.06530	6.9
102.09182	2.6
104.07083	3.4
104.10738	0.8
107.01281	0.5
107.04935	0.4
107.08616	0.5
109.70816	0.4
111.02185	0.4
111.75626	0.4
116.84319	0.4
117.07052	0.4
119.04920	0.7
121.02854	3.8
123.00777	4.6
133.10136	1.3
134.10437	0.4
135.04407	5.5
136.49725	0.4
137.02344	5.1
137.06017	0.6
139.00282	2.6
142.07802	0.4
145.06529	0.5
147.04422	2.1
147.05498	0.4
154.72099	0.4
167.07034	1.4
168.00526	0.9
169.01350	3.7
173.06038	0.8
175.76404	0.4
179.03389	1.0
181.04987	0.6
186.01518	0.5
191.06937	0.8
193.04846	0.5
203.03439	0.8
229.04999	0.7
245.04385	1.1
257.04407	3.6
258.05182	0.4
261.04007	0.8
271.06042	1.1
273.03946	12.0
274.04395	0.9
285.03937	6.1
286.04660	1.4
287.05560	1.1
289.03351	0.6
297.10028	0.6
299.05557	2.6
299.08563	0.6
301.03534	3.0
302.04175	6.7
303.04971	83.3
304.05362	4.7
309.07697	0.8
311.05313	0.5
311.12366	0.4
313.03348	1.9
313.06912	0.7
315.04962	1.2
326.03656	0.5
327.08511	2.7
329.06662	3.1
337.07053	1.3
339.11719	0.5
355.08112	3.7
371.14337	0.9
381.09415	1.2
399.10687	60.1
400.11102	3.9
416.33752	5.2
417.11725	100.0
417.33798	1.6
418.12149	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	417.1181
Annotation	Chrysin 8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.03676	0.6
51.02344	0.5
53.03920	1.0
55.47667	0.6
61.65897	0.6
68.99773	0.8
69.03452	0.6
69.08696	2.2
69.09119	2.0
69.18424	0.6
73.06429	0.6
77.03929	0.9
79.01852	5.4
81.03412	3.4
84.08125	0.7
85.02876	2.1
93.03374	0.7
95.04953	1.8
97.02852	0.8
98.23526	1.2
103.05437	2.0
105.02680	0.9
105.03387	17.3
109.02839	1.6
110.06029	1.3
129.03352	1.6
130.05038	1.3
131.04901	2.1
143.03366	0.7
147.04401	1.8
149.02322	1.1
153.01855	0.7
161.06004	0.6
163.03862	1.4
165.01810	2.6
167.06998	0.9
168.03081	0.7
170.72141	0.7
171.02893	1.3
175.03873	0.7
177.01910	0.7
177.05460	0.8
179.03371	0.7
183.02866	0.8
187.03900	1.3
191.03362	1.2
197.05972	4.3
199.07533	0.9
205.04889	0.7
211.07562	2.3
212.08368	1.0
217.04950	3.9
219.02769	0.8
222.06725	1.1
225.05478	1.0
227.06932	3.1
234.03964	0.9
239.06998	7.1
240.07816	10.8
241.08070	0.8
243.02914	4.0
243.06514	3.2
248.54048	0.7
251.06995	0.9
252.07840	0.9
255.06532	4.8
261.03922	3.1
263.07080	1.0
264.07611	1.2
267.06516	85.8
268.07269	45.1
268.66531	0.7
269.07831	3.9
279.06552	17.5
280.07126	1.4
281.08051	23.9
282.08380	1.4
289.08524	0.6
291.06482	2.3
292.07162	4.6
293.08078	6.5
295.05954	2.9
295.09406	1.2
297.07565	100.0
298.07886	6.0
305.08078	1.7
306.08676	0.8
307.06003	3.1
307.09576	21.6
308.10037	1.2
309.07556	5.3
311.09146	1.5
317.08142	1.0
321.07544	25.0
322.07788	1.0
327.08615	5.6
333.07455	1.8
335.09058	6.4
339.08682	1.6
351.08600	18.1
352.08954	1.7
363.08563	10.9
381.09641	33.2
382.09821	2.3
399.10730	43.4
400.10883	3.7
417.11792	61.5
418.11987	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	417.118
Annotation	Chrysin 7-galactoside
Peak:m/z	Relative Intensity
53.48869	0.9
59.39126	0.9
67.05474	1.0
69.03412	1.6
69.51387	4.4
79.05488	1.8
81.07061	1.4
84.08156	1.1
84.79248	1.0
85.02901	3.1
91.05472	2.8
93.07059	1.8
95.04975	1.5
103.05487	1.1
105.07009	1.8
107.04955	3.0
109.02939	1.1
109.06484	1.0
117.05550	1.3
119.04951	4.2
119.29272	1.1
121.02895	2.3
123.04457	1.8
124.28261	0.9
127.03931	1.0
133.06464	1.8
133.10121	6.1
134.10472	4.2
137.02347	1.9
143.03377	1.6
145.06473	1.6
147.04416	16.0
151.03926	1.5
153.01814	4.7
153.05507	1.1
155.07030	1.5
163.03926	1.2
167.07028	7.0
173.06053	2.1
177.70003	1.2
179.06975	1.3
181.04932	2.8
191.06955	2.2
193.04976	1.4
201.05515	1.7
205.04967	1.2
211.02794	1.2
219.65732	1.1
255.06505	100.0
256.06912	4.4
273.13873	1.1
287.05579	1.3
295.09781	2.8
297.09824	2.8
339.12363	1.9
393.04852	1.7
399.10757	3.1
417.15878	1.2
417.21579	1.0
417.28033	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	417.1179
Annotation	Chrysin 6-C-glucopyranoside
Peak:m/z	Relative Intensity
55.01874	1.8
55.05499	1.8
62.10549	0.6
67.05506	0.7
68.99788	2.2
69.03447	1.6
69.07059	1.6
70.06590	8.7
72.08154	24.1
81.03417	1.5
84.04513	2.3
84.08153	2.1
85.02900	2.1
86.09699	23.5
87.04467	3.2
87.10030	1.0
91.05466	1.5
93.07006	0.7
95.04972	0.8
97.02865	1.5
102.05580	0.6
105.07037	1.2
109.02932	0.7
111.04417	0.7
111.08067	0.8
116.07085	0.9
117.07011	1.3
119.04979	1.0
121.02861	1.5
121.06472	1.0
126.01070	2.0
127.03937	1.5
129.10226	1.6
133.06483	0.8
135.04430	2.0
137.01285	1.7
137.02345	31.9
137.03438	2.6
138.02684	1.4
143.11778	1.7
145.06470	1.3
147.04401	1.6
149.05968	4.3
151.03891	1.0
157.06529	0.9
161.01216	0.8
161.02275	3.7
161.06006	0.8
163.03922	1.6
165.05492	9.6
171.11237	1.0
171.14938	2.6
173.05954	0.9
175.07559	1.2
177.05505	1.6
179.03410	1.9
179.07083	0.7
193.04991	2.3
193.44366	0.7
199.14398	3.5
199.18048	1.6
201.05455	1.4
201.12341	1.1
203.03375	1.3
203.07063	0.9
209.04297	0.9
209.06039	1.0
211.07571	2.4
213.05438	0.9
215.10432	0.7
215.13901	1.3
219.06535	1.9
219.13452	2.2
221.08223	0.9
229.05063	0.9
229.11885	1.1
229.15477	1.6
239.07106	3.4
243.06361	0.8
243.13162	1.0
247.12920	2.2
255.06509	5.3
257.08121	0.7
267.06543	1.4
268.07269	3.5
269.04492	1.3
269.07867	1.3
270.05243	2.4
271.05984	20.7
281.07977	1.0
283.06055	5.1
283.09656	12.6
284.06812	1.2
285.07465	3.6
286.04727	0.7
293.08145	1.1
295.09619	2.8
297.07700	0.7
297.11197	1.4
299.05576	1.6
299.09061	12.9
300.09256	0.8
307.09680	1.5
309.07883	1.7
309.11237	3.0
311.09125	1.5
312.06317	1.4
313.07074	0.8
315.04950	9.9
325.07306	1.1
325.10757	3.0
326.04257	0.8
327.05060	1.2
327.08609	20.7
327.12103	1.2
328.09055	1.2
335.09155	1.0
337.10803	0.7
341.10251	1.7
343.08121	13.8
343.11877	1.2
353.10233	3.9
355.08005	1.4
355.11774	3.9
371.11258	3.9
373.13992	0.7
381.09653	1.3
399.10706	30.8
400.10861	2.0
416.30600	1.5
417.11783	100.0
418.12012	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1179
Annotation	Chrysin 8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.29047	1.5
52.72930	1.7
52.81265	1.8
54.93257	1.9
68.05028	1.7
69.03397	2.2
70.06557	1.6
71.40855	1.9
71.45827	1.9
79.01843	4.9
84.04492	9.1
84.08131	3.6
85.02905	11.4
85.61404	1.7
91.05529	2.6
91.13337	1.4
95.01337	1.7
95.04948	2.4
96.04507	4.4
102.05544	5.8
103.05470	6.1
105.03371	12.1
105.04480	1.7
110.06055	6.6
114.05554	2.5
125.03491	2.4
129.03424	1.8
130.04999	61.1
131.04933	4.7
140.03435	3.8
142.05019	6.3
147.04390	7.9
149.02434	2.0
160.26683	1.5
163.03899	2.9
164.03445	5.6
165.01814	2.1
165.05400	1.6
166.05026	1.7
167.02155	6.4
167.07043	5.0
168.02916	36.6
171.04408	7.0
171.63052	1.6
180.06367	1.5
182.04468	5.0
183.02876	2.3
187.03865	2.0
197.06009	2.5
206.04515	4.1
211.07484	2.7
217.04993	3.7
227.06999	2.5
233.08083	2.1
234.03970	26.9
239.07074	6.3
240.07866	10.3
243.02792	1.9
243.06555	3.0
254.06100	1.8
255.06485	4.8
261.03983	2.9
267.06528	77.6
268.07321	37.0
269.06744	20.5
270.07489	3.3
279.06537	18.0
279.09543	2.0
280.04495	29.5
281.07980	14.8
287.07864	5.0
288.08588	19.9
289.08838	2.4
292.07227	2.9
293.08078	7.8
295.05994	2.9
297.07568	100.0
298.07877	5.0
307.06235	3.1
307.09613	22.1
309.07654	3.9
314.09720	2.6
321.07547	21.1
327.08597	6.0
335.09195	6.5
336.08694	2.3
339.08527	1.9
340.64600	1.8
351.08597	25.2
354.09576	4.4
363.08713	10.2
372.10425	1.6
381.09662	29.8
382.09305	14.0
385.11130	3.3
394.67834	1.7
399.02756	1.9
399.10785	49.7
400.10321	20.9
417.11841	62.5
418.11835	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	417.1199
Annotation	Chrysin 6-C-glucopyranoside
Peak:m/z	Relative Intensity
55.05498	1.0
68.99776	1.6
69.03416	1.0
69.07054	1.4
70.06591	8.6
71.06911	1.2
72.08148	23.6
79.01611	3.1
81.03378	1.1
84.04493	2.6
84.05627	1.5
84.08125	4.8
85.02884	2.1
86.09187	1.7
86.09698	27.8
87.04440	1.0
91.05467	1.8
95.01099	1.7
95.04951	1.2
102.05547	2.6
105.07053	0.8
107.04599	1.6
116.07082	0.8
119.04971	1.3
121.02876	1.7
123.04390	0.8
126.01081	4.6
127.03757	1.1
129.10208	4.4
135.04407	1.8
137.02324	17.4
141.05214	9.6
143.11717	2.3
147.04372	2.3
148.06081	1.1
149.05984	2.9
151.03864	3.7
151.04918	1.1
153.03850	12.5
153.05135	1.6
157.13370	1.1
161.02321	2.7
163.03976	1.2
165.05472	9.4
171.11366	2.3
175.07547	1.2
182.05499	2.7
185.04138	1.4
189.12408	1.5
190.87009	0.8
193.04874	2.1
199.18007	1.1
201.12361	2.6
203.03250	1.1
205.11801	1.2
209.05884	3.8
211.07436	2.5
213.15994	2.8
215.10263	1.1
217.20827	0.9
219.06569	1.3
227.05232	2.3
239.06964	2.7
243.08366	3.3
247.12852	4.1
253.06862	3.5
255.06532	1.8
270.05206	0.9
271.05945	11.8
271.08063	8.9
283.06000	3.4
283.09650	8.4
285.07648	1.7
287.07361	16.9
293.07993	0.9
295.09375	1.1
297.07822	0.9
297.11401	1.3
299.09094	9.8
311.09378	1.0
315.04898	9.9
316.09976	29.8
325.10519	2.1
327.04761	1.2
327.08554	14.9
327.12210	1.4
343.08087	14.1
343.11951	1.3
353.10199	2.3
355.08109	2.6
355.11862	1.8
362.37595	0.9
371.12299	2.9
373.12057	4.8
381.09598	1.0
399.10736	14.6
400.11023	1.5
417.11957	100.0
418.12302	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	417.118
Annotation	Isofurcatain
Peak:m/z	Relative Intensity
52.49007	0.9
53.03919	0.8
53.15366	0.7
55.05497	0.9
57.85395	0.8
67.05492	1.8
68.99792	2.0
69.03446	0.9
69.07050	3.2
69.30798	4.8
71.60837	0.8
79.05486	2.9
81.07028	0.9
91.05460	1.1
95.04934	1.6
97.06518	7.9
106.05378	0.8
110.26953	0.7
117.67553	0.8
119.04907	0.8
121.02852	3.1
123.00783	4.8
133.10153	1.1
135.04410	9.0
137.02316	5.1
139.00243	4.1
145.10086	0.8
147.04369	3.9
168.00595	1.4
169.01338	3.6
173.05925	0.8
179.05608	1.2
186.01543	0.9
189.38292	1.1
193.04893	0.8
195.81952	0.8
198.97902	2.0
200.20126	1.4
226.21854	0.8
245.04637	1.3
257.04422	6.1
271.06207	1.4
273.03937	14.9
285.03958	7.2
286.04474	1.0
299.05469	3.0
301.03458	5.0
302.04160	7.5
303.04950	87.7
304.05243	4.4
313.03375	2.2
327.08591	3.4
329.06482	3.0
353.10403	1.1
355.08133	3.2
367.99756	1.0
399.10684	59.9
400.10977	4.0
417.11737	100.0
418.12076	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	417.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80828	1.8
55.01881	3.9
56.05030	3.6
60.05639	3.5
67.05506	2.2
68.05036	2.0
68.05823	1.5
68.99780	5.4
69.03424	2.1
69.52581	4.5
69.52978	3.8
70.06591	21.0
71.06915	4.0
79.05505	2.8
79.09686	1.6
80.05009	24.6
81.03421	1.7
82.02934	2.2
82.06570	5.3
84.04501	67.0
84.08138	3.7
85.02893	9.9
86.06061	8.3
91.05477	5.8
92.04996	2.5
94.02932	4.0
95.01339	2.1
95.04961	3.2
96.04482	5.5
97.06548	1.9
98.06045	2.4
101.07140	4.6
102.05561	3.9
103.05459	16.3
104.04966	2.6
105.03372	1.7
105.07026	5.1
106.02876	1.9
108.04475	44.7
109.04025	1.9
110.02394	2.8
110.06062	9.7
112.08723	3.6
120.04472	6.7
121.06498	15.2
122.02379	3.3
123.00800	10.3
124.03962	7.6
126.05480	8.7
128.03467	4.5
130.04996	29.6
131.04921	49.4
132.04424	4.0
136.03926	19.8
138.01855	8.7
138.05519	7.8
140.03447	3.3
142.05190	1.9
147.04402	3.2
147.07661	3.5
148.03938	6.7
151.00320	1.9
153.01846	2.0
154.04988	6.6
154.08595	4.1
156.02901	2.8
157.03690	5.4
160.03915	5.6
161.05922	2.0
162.01859	7.0
164.03392	3.1
166.01369	5.2
166.99712	2.7
167.07056	5.3
168.02910	48.4
169.01324	3.3
173.06102	2.5
175.03917	2.3
176.03410	24.0
178.01392	2.1
178.04906	4.0
179.03122	1.9
180.06531	15.4
181.04958	2.5
182.04507	6.1
184.02451	4.2
185.05933	1.9
186.04053	2.4
187.03886	2.8
188.03383	18.5
190.01407	5.9
193.05020	1.9
194.04489	5.2
201.16251	1.8
204.02905	61.2
205.03247	2.1
206.04501	24.1
212.09215	14.5
218.89348	1.8
221.04413	15.9
222.04553	10.8
224.05624	5.1
225.05449	3.7
229.04805	3.7
230.10213	11.9
232.02400	100.0
233.02768	3.7
234.03949	37.0
235.04292	2.1
242.08058	1.8
250.00847	2.7
250.03455	43.5
250.05894	3.2
255.06508	45.0
256.11752	5.6
267.06296	2.2
268.04489	6.3
270.07816	2.2
271.05997	4.4
272.09149	17.2
278.02881	19.9
292.09848	2.2
295.05606	44.0
296.03906	28.5
297.07712	2.4
308.09216	3.9
310.10483	1.9
313.06619	2.7
320.16730	1.9
327.13397	3.0
336.08759	5.5
338.10156	27.8
338.14209	2.3
354.09775	11.1
355.12830	2.2
364.08023	4.1
371.12302	4.9
381.09906	2.2
382.09189	41.8
382.13290	1.8
383.09366	2.8
384.15558	5.4
385.15781	23.6
399.11838	71.9
400.12851	7.5
417.12891	64.9
418.13580	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	417.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	1.9
53.03941	1.6
56.05042	3.8
60.05640	1.5
61.44689	1.7
68.05035	2.2
68.99775	2.6
70.06586	5.3
70.65356	3.2
72.05614	2.0
72.08167	3.8
73.06402	3.3
80.05015	20.2
81.03419	2.0
82.02930	2.0
82.06577	6.0
84.04506	64.4
85.02898	9.0
86.06092	8.8
91.05468	4.3
94.02957	2.0
95.01346	1.9
96.04494	6.0
98.06080	2.9
101.07148	3.8
102.05514	3.6
103.05459	15.0
105.07032	5.1
108.04478	53.7
110.06058	10.9
110.46915	1.6
112.03951	2.7
120.04472	4.2
121.02837	1.9
122.02386	4.4
123.00780	8.8
124.03972	8.5
126.05509	10.7
128.03442	4.4
128.16101	1.8
130.04102	2.9
130.05008	32.7
131.04938	47.1
132.04445	3.6
136.03931	24.0
137.02322	2.3
138.01900	9.0
138.05507	8.2
140.03430	5.1
144.97766	1.9
145.06499	3.8
147.04398	2.0
147.07571	3.0
148.03951	3.8
150.05510	3.3
151.00247	2.6
151.03958	2.7
154.05009	5.7
155.04915	2.0
157.03694	3.6
160.03856	4.9
161.02350	1.9
162.01871	8.4
162.05547	2.7
164.03433	4.2
166.01329	7.8
166.04942	3.7
166.99794	2.7
167.02097	2.0
168.02917	44.9
169.01317	4.7
173.05911	2.2
175.03955	2.3
176.03433	24.3
178.04988	3.4
182.04478	7.5
184.02411	4.9
185.00789	2.3
186.04002	3.3
188.03401	17.2
189.01714	2.1
190.01360	5.2
194.04469	5.5
199.41531	1.6
204.02919	64.6
205.03267	1.8
206.04498	28.9
216.02934	2.4
219.84624	1.9
222.03932	6.9
224.05579	3.6
225.05396	3.0
226.03481	1.8
232.02403	100.0
233.02779	3.0
233.08058	2.9
234.03964	38.8
235.04230	1.7
242.08043	2.5
250.03458	50.9
251.03748	2.3
255.06503	2.0
266.08322	1.9
267.06174	1.9
268.04553	5.9
271.06201	2.3
272.09177	19.3
278.02948	21.7
279.10321	2.3
284.08862	1.6
288.08609	2.1
295.05594	40.9
296.03976	21.2
308.08994	4.8
310.10876	2.2
313.06668	2.2
314.09680	2.6
336.08673	7.8
338.10306	22.5
338.14453	2.5
353.10986	2.3
354.09821	7.7
364.94760	1.8
371.12186	5.0
382.09225	40.3
382.13123	1.5
399.11838	59.0
400.11502	2.3
414.38300	1.8
417.12875	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.8
56.05030	4.2
65.47160	1.3
68.99786	2.3
69.49102	4.1
69.49511	2.8
70.06597	1.3
79.05505	1.4
80.05016	20.0
82.06564	6.7
83.03735	1.6
84.04500	69.0
85.02897	10.7
86.06070	7.7
91.05482	1.9
94.02921	3.1
95.04963	2.1
95.61857	1.4
96.04484	5.6
98.06044	3.4
98.22652	2.0
101.07140	3.7
102.05547	3.8
103.05474	15.6
105.03403	3.0
105.07016	4.0
107.04945	1.5
108.04474	45.5
108.05214	2.9
110.02405	1.4
110.06026	7.8
111.03160	3.2
112.03986	1.5
120.04472	3.0
122.02403	2.6
123.00777	9.4
124.03950	7.7
126.05536	9.2
128.03452	4.2
129.06601	1.2
130.04999	31.7
131.04915	40.4
132.04456	5.1
135.08008	1.5
136.03940	19.9
138.01825	6.8
138.05513	8.9
140.03430	3.3
147.07611	2.8
148.03944	4.1
150.01843	1.7
151.00296	2.8
151.03839	1.7
152.03485	2.1
154.04964	5.6
156.02879	1.4
157.03749	4.4
160.03923	4.9
162.01868	10.8
163.07550	5.6
164.03432	2.2
166.01378	9.4
166.04942	3.4
166.99736	4.2
167.02034	1.3
168.02917	47.5
169.01305	4.2
173.05896	1.4
176.03400	24.3
178.04971	5.3
180.02887	2.2
182.04440	6.8
184.02379	2.3
188.03436	17.1
190.01373	4.0
192.56075	1.4
194.04424	6.0
201.07715	2.3
204.02914	61.2
205.03214	2.3
206.04477	30.6
208.02463	1.6
219.02879	1.7
220.09615	2.8
222.03976	6.3
223.07436	1.7
224.05518	5.6
225.05597	2.7
226.03409	2.1
227.07095	1.6
232.02399	100.0
233.02727	4.9
234.03963	43.0
234.06340	2.2
241.07336	1.8
242.08182	2.5
243.08830	2.9
244.09688	4.8
249.05006	1.9
250.03464	51.5
251.03766	1.7
251.06587	2.9
252.04865	1.5
255.20601	2.8
260.01755	1.7
267.06305	1.4
268.04623	6.3
269.07703	2.7
270.07852	2.1
272.09167	21.6
278.02957	32.8
279.03281	1.9
292.09698	3.1
295.05585	46.1
296.03897	23.8
296.09039	2.3
308.09229	3.2
310.10449	2.5
313.06583	1.9
327.13431	2.3
336.08612	9.1
338.10187	27.5
339.10568	2.1
354.09656	10.2
364.08087	2.5
371.12378	6.8
381.23325	1.5
382.09180	40.5
383.09732	3.4
399.11844	69.4
400.12109	6.7
417.12872	66.0
418.13199	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	417.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
60.05648	0.6
62.15942	0.3
67.01859	0.3
68.99790	8.4
69.15311	1.5
69.15728	0.8
69.27876	0.3
70.06589	0.8
72.05647	0.6
73.06423	0.9
77.03932	0.5
87.69839	0.3
91.05489	2.0
95.01337	0.5
95.04950	1.8
96.04462	0.4
102.04708	0.4
103.05468	39.2
104.05807	0.7
105.03442	0.3
105.04489	0.8
105.07034	3.4
115.05455	0.4
117.07018	0.5
123.00784	1.1
128.06215	0.6
129.07018	1.0
131.04926	100.0
132.05261	2.4
137.06006	0.3
138.01892	0.4
139.00279	1.2
145.06503	0.4
147.04425	0.5
153.01805	0.6
153.06955	0.7
155.04919	0.9
155.06047	0.7
157.01305	0.5
157.06462	0.9
163.00247	1.0
165.01805	0.6
165.05505	0.5
166.99792	1.4
173.05988	6.6
175.03932	0.9
181.01262	0.4
181.06633	0.7
185.00818	10.8
185.06027	0.5
190.99794	1.2
199.07550	5.2
201.27658	0.3
209.00758	1.7
218.04523	0.4
225.05461	0.8
227.01831	0.7
227.07028	0.6
243.06300	0.3
245.07957	0.6
255.94057	0.3
267.06558	0.7
271.06006	12.0
272.06409	0.7
279.10123	1.1
295.06027	3.4
313.07019	3.5
313.11383	1.2
314.10007	0.4
338.14890	0.7
356.15884	0.6
357.11029	0.4
373.18097	0.3
381.11319	0.5
399.12250	4.7
400.15509	0.3
417.12488	0.5
417.17542	1.3
418.16861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.2
51.02383	0.3
53.00304	0.2
53.03949	0.2
55.01871	0.3
55.05509	0.2
60.05639	0.5
66.98339	0.1
67.01860	0.3
68.05018	0.2
68.99786	7.9
70.06590	0.8
71.01346	0.3
72.05626	0.5
73.06424	0.8
77.03928	0.6
79.05473	0.3
84.08150	0.2
91.05477	2.0
92.99783	0.2
95.01311	0.4
95.04970	1.8
100.11254	0.7
102.04669	0.2
103.05464	37.5
104.05799	0.9
105.03427	0.3
105.04530	0.8
105.07034	3.6
110.06059	0.3
112.08729	0.3
113.02351	0.5
115.05481	0.8
115.71804	0.2
117.07018	0.6
123.00793	1.2
128.06203	0.4
129.07025	1.3
129.09042	0.3
131.04922	100.0
132.05266	2.7
135.09119	0.2
137.06020	0.2
139.00253	1.3
141.01855	0.2
141.07019	0.3
145.06503	0.6
147.04401	0.4
147.31201	0.2
153.06992	1.1
155.04878	1.0
155.06076	0.6
157.01346	0.6
157.06500	1.3
163.00256	1.6
165.01828	0.6
165.05502	0.7
166.01349	0.2
166.99738	1.5
167.07051	0.5
169.06494	0.3
171.08102	0.4
173.05978	6.2
175.03920	0.8
181.01317	0.5
181.04996	0.2
181.06479	0.5
182.15431	0.3
183.02946	0.2
183.04419	0.5
185.00810	10.4
185.05978	0.7
190.99794	1.4
192.06589	0.2
197.05914	0.4
199.02489	0.3
199.07530	6.1
200.07988	0.2
207.02878	0.2
209.00809	2.0
210.14861	0.4
218.04514	0.4
225.03493	0.2
225.05476	1.0
227.01883	0.8
227.07118	0.9
239.06917	0.2
243.06596	0.5
245.08078	0.4
252.09691	0.4
253.04976	0.6
267.06448	0.8
269.08020	0.3
271.05981	10.0
272.06436	0.3
274.50140	0.2
279.10220	0.8
285.07651	0.2
295.06000	4.4
313.07013	3.8
313.11353	1.4
314.10208	0.2
331.08194	0.3
337.06647	0.2
338.15121	0.5
357.11188	0.5
381.11188	0.5
382.13721	0.2
385.08804	0.4
399.12259	4.8
400.14966	0.5
417.12329	0.6
417.18076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02384	0.4
56.42138	0.3
60.05648	0.6
67.01864	0.3
68.05023	0.4
68.99424	0.5
68.99789	8.7
70.06602	1.5
70.45210	0.2
71.01356	0.5
72.05628	0.9
73.06418	1.2
77.03936	0.5
86.06055	0.4
91.05468	1.5
95.01296	0.3
95.04955	1.8
102.04649	0.3
103.05463	39.7
104.05801	0.7
105.03362	0.5
105.04507	0.6
105.07027	3.0
112.08727	0.6
113.02337	0.5
115.05467	0.6
123.00760	1.0
124.03954	0.3
128.06219	0.4
128.08200	0.3
129.07004	1.2
130.09836	0.4
131.04919	100.0
132.05244	2.3
139.00255	1.2
141.07025	0.3
144.07996	0.3
145.06480	0.6
147.04408	0.5
153.01842	0.2
153.06999	1.0
155.04895	1.2
155.06039	0.6
157.01392	0.4
157.06511	0.9
163.00266	1.5
164.07068	0.4
165.01865	0.7
165.05481	0.8
166.99779	1.1
169.01363	0.4
169.06535	0.4
171.05667	0.2
171.08127	0.3
173.05983	5.4
175.03923	1.2
181.01266	0.3
181.06473	0.7
183.04417	0.5
185.00809	11.3
185.05917	0.7
187.03880	0.4
190.99738	1.2
191.06952	0.3
192.06618	0.3
199.07526	5.5
203.13249	0.3
209.00774	1.7
218.04509	0.7
225.05487	0.5
227.01808	1.0
227.07011	0.6
239.06868	0.4
243.06480	0.5
245.08000	0.8
252.09735	0.6
253.04906	0.7
267.06433	0.9
268.09265	0.3
269.08029	0.4
271.05994	11.7
272.06241	0.5
279.10162	1.2
285.08990	0.9
295.05954	3.6
296.08804	0.4
313.07001	4.0
313.11356	2.2
314.09937	0.3
333.05731	0.5
338.15027	0.6
341.08099	1.3
356.15930	0.7
357.07593	0.6
361.05185	0.4
376.89221	0.3
381.11380	0.3
382.14081	0.4
385.06915	1.1
399.12195	5.0
400.14780	0.9
417.04312	2.4
417.12631	0.3
417.17624	1.9
435.05338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86966	4.9
56.96561	25.8
68.20760	4.7
69.03435	5.2
69.32368	24.3
78.06331	4.0
84.96030	18.6
98.97577	89.2
107.08518	5.3
110.97578	20.2
111.04497	5.6
112.49939	4.5
116.98644	28.1
123.04488	6.2
128.98611	17.8
131.00218	6.3
134.99611	7.5
143.00113	7.4
144.98041	7.6
146.99626	7.1
147.04356	6.0
152.98526	5.6
158.99677	18.2
161.01247	5.4
162.99135	5.8
167.07011	40.1
170.99501	4.3
177.00673	13.1
181.04976	18.7
191.07021	8.4
201.00853	5.1
205.08711	5.0
210.57332	4.3
219.01704	24.2
221.04453	4.9
237.02759	32.5
247.12163	6.4
249.32362	4.9
303.04892	20.0
331.14172	36.8
349.15277	100.0
349.19150	8.4
367.16364	10.4
372.16751	5.3
373.15326	7.5
391.16251	11.6
399.10590	13.6
417.10913	12.0
417.16098	28.8
420.13812	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	417.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95473	3.2
56.96566	23.7
59.89494	2.8
69.03444	2.9
69.11227	7.9
69.11623	18.5
70.23550	2.6
79.05508	3.2
82.04192	3.5
84.96024	15.9
85.02895	3.9
90.20157	3.4
92.91698	3.1
97.06570	3.8
98.97581	94.9
100.11273	6.3
102.97078	3.2
107.04945	9.8
110.97559	20.1
112.99184	5.2
116.98622	39.2
117.07027	5.0
119.08604	3.5
120.49673	3.0
121.02858	9.3
121.06549	3.7
123.04427	5.9
128.98618	25.8
131.00172	6.2
134.99690	13.8
140.98616	5.4
143.00162	7.7
144.98117	7.2
145.06506	7.4
145.10114	3.3
145.14410	3.1
146.99664	12.2
147.04390	11.7
152.98602	6.2
153.05412	3.2
158.99654	19.7
161.01216	10.6
162.99185	5.1
163.07597	3.7
163.93549	3.1
167.07050	53.0
170.99657	12.2
173.01176	3.0
173.05988	7.4
176.79813	3.0
177.00745	12.4
181.04990	18.0
182.15390	4.8
187.14841	5.3
191.07047	4.7
219.01646	24.3
221.04521	7.0
233.08151	4.8
237.02826	43.3
297.18445	4.4
299.05560	4.7
303.05008	23.9
331.14175	37.7
334.01843	4.1
334.73114	3.8
348.02777	3.3
349.15320	100.0
367.16321	4.9
372.16989	3.9
373.15411	11.8
385.12863	6.9
387.14310	4.2
391.16278	11.6
399.10471	18.5
417.11185	12.6
417.15280	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	(-)-Podorhizol
Peak:m/z	Relative Intensity
53.73066	1.3
55.01870	2.2
65.03941	2.8
67.05499	3.2
68.99788	5.7
69.03429	4.5
69.12164	8.4
71.04993	3.2
77.03934	1.5
79.05491	7.7
81.03406	3.7
81.07040	6.2
84.08121	2.0
85.06544	3.5
85.99829	1.5
91.05477	16.7
93.07050	2.6
95.04971	8.0
95.08595	9.0
97.02867	2.0
97.06524	3.9
103.05450	2.6
105.03400	3.0
105.04528	1.4
105.07041	8.9
107.04950	34.4
107.08569	2.7
109.02869	5.1
109.06503	8.5
115.05452	2.5
117.07027	11.5
119.04939	29.2
119.08592	2.1
121.02860	6.5
121.06497	5.3
123.04424	7.1
123.08060	10.1
123.91748	1.3
125.05994	4.9
127.03889	3.9
127.07523	1.6
128.06230	2.9
129.06970	4.3
131.04904	8.9
133.02808	2.6
133.06461	8.4
135.04408	3.6
135.08055	5.2
137.02333	1.7
137.05981	8.5
143.03371	1.8
145.06485	12.6
147.04401	100.0
147.08034	4.0
148.04816	3.6
149.02322	3.0
149.05992	6.3
151.03903	3.0
151.07520	10.7
153.01793	1.4
153.05458	5.5
155.07016	11.6
157.06474	1.9
159.04407	2.3
160.97357	1.2
161.02341	1.7
161.05989	1.9
163.03954	3.1
163.07536	9.0
165.05490	1.6
167.03380	1.9
167.07034	21.6
167.08336	2.2
169.05019	2.1
169.08577	8.8
171.06528	3.4
173.05998	13.8
175.03844	1.6
175.07555	4.4
177.01869	2.2
177.05467	3.2
179.03430	1.8
179.07018	5.6
181.04941	10.1
181.06310	2.1
181.08588	1.9
187.07495	1.8
191.07040	15.3
193.04955	16.9
194.07079	1.7
195.02969	1.6
195.06480	2.3
195.08075	1.5
197.08121	7.4
197.09650	1.3
199.07539	2.1
201.05487	11.2
202.07774	1.2
203.07033	8.1
205.04944	2.1
205.08559	2.3
207.06487	3.5
207.09906	1.5
208.08783	2.2
209.04514	2.7
209.07996	6.6
211.05858	1.7
217.08548	1.6
219.06447	10.1
221.04256	2.0
221.09679	2.2
223.06047	2.1
227.05252	1.6
229.04994	4.2
231.08055	2.4
233.08063	4.5
234.06789	3.0
235.11337	1.7
236.08310	1.9
237.07495	3.1
237.12633	2.5
241.06929	1.6
247.05952	3.7
247.11276	1.6
249.09158	4.4
251.06891	2.1
251.09055	3.1
252.07843	1.5
253.12262	2.8
263.10815	2.5
265.06973	12.0
265.12363	2.1
266.05722	5.2
267.06598	2.0
267.10168	2.0
277.08578	3.7
279.10580	11.9
281.04385	2.3
283.08127	8.8
293.11691	10.5
294.05045	3.9
295.09677	20.7
296.10104	1.5
297.09671	88.3
298.10114	3.1
305.08112	2.7
311.12729	5.3
315.10797	1.9
321.11108	4.6
323.09103	9.6
323.12836	3.1
325.10580	1.8
327.12015	3.1
337.10370	2.3
339.12231	23.3
340.12640	1.8
341.10199	3.2
349.10617	5.5
353.13910	2.9
355.11609	7.5
367.11737	9.0
381.13290	17.1
382.13641	1.4
385.12643	2.1
387.14404	1.8
399.14542	15.2
417.15771	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29760	0.9
58.40206	0.8
59.04992	0.9
65.03934	1.1
67.54467	0.8
67.58150	1.1
68.99788	3.1
69.03436	0.9
69.97937	3.2
71.04990	2.1
78.36835	0.9
79.05468	1.1
81.07034	1.3
81.79214	0.9
85.02923	2.3
91.05453	5.8
93.07019	1.5
95.04984	3.7
97.02885	1.3
98.23497	1.0
102.94144	1.0
105.07017	1.7
107.01293	1.6
107.04942	22.0
107.08653	0.9
109.06544	2.1
111.04437	1.1
111.67919	0.9
112.25753	1.0
115.05412	1.2
117.07011	4.0
119.04932	10.1
121.02867	14.9
121.06499	2.2
123.04433	1.6
133.06503	1.4
135.08038	37.8
137.02298	5.8
137.05988	1.3
145.06447	5.2
145.99486	1.0
147.04405	40.4
148.04778	1.8
149.02348	1.5
149.05942	2.7
151.07503	1.3
153.05531	1.6
156.55551	0.9
163.07529	100.0
164.07925	4.0
165.01869	1.9
173.05975	1.3
177.05431	1.4
181.08615	13.9
185.00784	1.6
189.05441	4.5
191.07048	2.3
193.04880	1.3
218.63367	0.9
219.06494	3.4
220.09666	60.7
221.04625	1.0
221.10042	2.3
227.07103	2.5
229.04962	2.6
238.10794	5.1
241.05051	1.7
241.08571	4.8
243.06454	1.3
247.06012	6.2
265.07077	1.5
271.06107	1.2
287.05588	1.4
297.09790	3.8
327.08542	1.6
339.12280	1.2
349.10501	1.5
367.11966	1.2
381.13199	1.1
399.10504	2.0
417.11670	7.8
417.16232	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	417.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15657	1.2
59.04993	2.3
61.49369	1.2
65.03919	1.5
68.99773	10.8
69.03404	1.9
70.70721	2.3
71.04985	5.3
79.05480	4.7
81.03416	1.9
81.07042	4.0
85.02901	2.2
86.09695	4.5
91.05473	15.1
93.07042	2.1
95.04969	10.5
97.02910	1.6
97.06503	1.8
98.63077	1.2
99.11270	1.2
103.05474	1.7
105.07018	4.7
107.01312	4.7
107.04942	23.6
109.02883	2.2
109.06502	4.0
111.04445	3.6
115.05463	1.7
117.07016	4.2
119.04932	25.5
121.02861	36.7
121.03777	1.8
121.06501	4.9
123.00720	1.7
123.04427	3.3
123.08073	3.8
125.05988	2.7
133.06499	5.6
135.04416	3.4
135.08041	37.6
137.02338	45.9
137.03362	2.9
137.05978	2.3
138.02625	2.0
139.03944	1.8
139.07439	1.4
140.52686	1.5
145.06480	6.6
146.00034	1.3
147.04398	100.0
147.08023	2.7
147.94250	1.5
148.04753	3.0
149.02327	3.7
149.06010	7.8
151.07520	3.1
153.05440	3.5
155.06107	1.6
159.04381	1.6
161.05984	3.9
163.07533	80.4
164.07861	3.6
165.01813	4.7
165.05484	4.1
169.04903	1.4
171.04437	1.6
173.05962	3.5
175.03932	2.5
175.07547	4.4
175.75121	1.4
177.01894	1.4
177.05481	5.4
179.03418	2.9
179.06961	1.6
181.08571	8.3
185.00771	3.5
185.05901	1.9
189.05482	7.5
191.07063	4.9
193.04970	5.9
193.08672	2.6
199.07504	1.6
201.05540	4.3
203.03415	1.5
203.06927	1.8
205.04953	1.8
217.08778	1.3
217.37234	1.4
219.06535	11.3
220.09677	42.5
221.04480	3.3
221.08092	2.8
221.10069	1.7
227.06967	5.2
229.04991	4.9
233.08214	1.6
237.07565	3.6
238.10799	2.4
241.04968	2.8
241.08607	7.3
247.05984	15.3
255.06511	3.7
265.07071	4.9
268.07196	1.5
269.04523	3.0
269.07791	1.6
271.06042	5.7
273.04083	1.7
279.08588	3.2
282.05334	2.3
283.06464	2.1
283.09717	10.9
287.05487	4.1
293.08224	2.4
295.09650	2.9
297.09509	9.3
299.09140	3.5
303.04852	2.0
307.09537	1.8
309.07593	1.8
309.11087	2.2
311.09064	5.2
313.10806	1.5
315.04947	3.6
325.10730	2.9
327.08673	13.8
327.12079	2.2
339.12253	1.9
341.10193	1.6
343.08093	2.2
349.10660	4.5
353.10086	4.6
355.07959	8.3
355.11911	5.0
367.11929	4.4
371.11270	4.6
373.12900	7.7
381.09503	2.3
381.13718	2.2
399.10547	20.5
399.14484	1.7
400.11673	1.7
417.11758	72.0
418.12091	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	417.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.0
53.13294	1.0
53.22419	1.0
55.05512	12.4
57.03427	7.2
57.07075	8.1
65.03937	1.6
67.05502	53.2
69.07068	12.9
69.34535	6.4
71.04987	1.7
71.08624	3.2
79.05492	16.5
80.97410	1.0
81.03403	1.2
81.07052	66.1
82.07381	1.4
83.08620	9.1
91.05478	13.3
93.07037	18.5
95.04973	4.3
95.08603	64.9
96.08919	1.1
97.06541	4.6
97.10148	3.7
98.98464	91.4
99.08067	2.9
105.07020	7.8
107.08582	13.5
109.06504	1.2
109.10153	31.5
111.08076	3.7
111.11740	1.4
113.09667	1.5
116.99533	2.3
119.08569	9.3
121.10133	11.9
123.08073	2.0
123.11705	12.5
130.55373	1.1
133.10110	9.4
135.11714	7.7
137.09578	1.4
137.13222	8.2
141.78265	1.1
147.11679	8.3
149.13234	6.1
151.14746	5.6
155.01030	100.0
161.13255	7.5
163.14813	6.3
165.16429	4.2
167.14456	1.2
175.14792	4.8
179.18027	1.1
186.75627	1.0
189.16417	3.0
209.54558	1.1
211.92479	1.2
213.12088	1.1
213.21841	1.1
245.22644	20.3
246.22777	1.2
263.23682	46.1
264.23990	3.4
414.91406	1.4
417.28003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92134	12.2
55.05507	15.5
67.05495	19.4
69.07067	27.4
69.86024	11.6
71.43690	15.1
78.62001	11.8
79.05480	32.6
81.07045	56.6
91.05480	49.9
93.07015	66.0
95.04974	18.3
95.08626	33.1
105.07047	99.5
107.08586	71.0
109.06522	89.7
109.10149	26.0
117.07011	20.5
119.08565	89.1
121.10118	98.1
123.08031	26.2
123.11734	18.6
129.07001	17.7
131.08559	54.2
133.10117	82.6
135.08038	19.7
135.11707	41.7
142.07750	16.6
143.08536	40.4
145.10120	53.9
147.11702	13.3
149.09608	14.6
149.13136	12.1
155.08527	28.9
156.09267	23.3
157.10097	61.7
159.11659	28.5
165.51979	11.3
169.10141	21.0
171.11690	34.7
173.13210	18.6
175.11095	22.2
180.09364	18.3
181.10172	31.9
183.11681	38.5
185.09695	18.4
185.13304	21.6
187.11217	19.1
187.14783	15.1
193.10133	23.1
195.11703	38.8
197.13210	22.1
199.11069	13.9
205.10185	17.6
207.11751	17.6
209.13344	17.6
211.14711	16.7
221.13199	16.7
239.14156	14.5
253.15973	20.7
341.22668	12.3
359.23700	20.1
375.26578	19.4
399.26346	12.8
417.19092	26.7
417.27847	100.0
418.38782	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	417.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.4
57.07070	2.3
65.03937	2.9
67.05502	14.0
69.03432	0.8
69.07065	11.7
69.80962	2.5
71.08622	1.2
71.65083	0.6
79.05482	8.2
81.07052	29.9
82.07373	0.9
83.04974	5.7
83.08590	5.8
85.10178	0.8
89.06033	1.1
91.05469	4.9
93.07037	11.2
95.04962	100.0
95.08599	25.5
96.05301	1.7
97.06506	4.7
97.10158	4.8
98.98455	0.8
103.05434	0.7
105.07021	10.9
107.08586	13.0
109.06506	14.9
109.10148	15.0
109.48480	0.7
111.08073	2.5
111.11726	3.1
117.07011	2.2
118.54951	0.7
119.08561	11.9
121.06509	1.5
121.10144	10.3
123.08075	2.2
123.11691	7.0
125.13254	1.5
128.06261	0.7
129.06993	1.0
131.08534	4.7
133.10139	6.6
135.08037	1.8
135.11690	6.5
137.05939	1.8
137.09613	0.9
137.13249	4.2
139.11122	0.8
142.07738	1.0
143.08557	3.4
145.10143	7.2
147.11696	5.4
149.09645	1.3
149.13261	5.2
149.53984	0.9
151.09566	1.1
151.14792	1.2
153.12743	0.8
155.08534	0.9
157.10168	2.8
158.10527	0.6
159.08083	0.9
159.11665	5.5
159.26318	0.7
161.13242	3.3
163.11089	0.8
163.14795	2.9
165.12762	1.4
165.16386	1.4
169.10172	1.2
171.11661	2.6
173.13295	3.0
175.14821	2.6
177.16374	1.0
179.17938	1.5
179.25792	0.8
183.11789	0.8
185.13237	2.0
187.14830	2.3
189.16425	1.3
191.18021	1.1
195.11729	1.1
197.13185	1.2
199.14949	1.4
201.16386	1.9
203.17851	0.9
205.56682	0.9
213.16478	1.7
215.17896	3.6
222.11343	0.8
227.17955	1.7
229.19748	0.7
233.19061	0.8
245.19048	0.9
261.25906	1.0
269.22766	1.0
319.26260	1.0
339.30490	1.8
357.31628	3.9
394.70477	0.9
399.32410	3.7
417.28809	5.0
417.34344	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	418.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04962	6.0
71.36565	7.3
92.78482	6.9
204.81754	9.2
310.94092	6.8
374.13205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
53.12096	2.2
55.01883	3.1
56.03776	2.1
60.05646	19.8
65.03933	17.7
68.05007	4.3
68.99771	3.0
69.03432	13.3
69.12894	16.1
70.06605	12.5
70.88585	2.1
71.04983	4.6
72.05637	28.2
72.08155	3.0
73.02910	3.9
73.06422	39.9
80.05013	5.1
81.03419	9.5
85.02895	23.0
86.06043	5.0
87.00822	10.7
91.05481	10.1
93.03397	24.8
95.04970	6.1
96.08949	2.4
97.02901	18.0
97.06539	3.3
98.22652	4.0
98.33344	2.5
99.04468	5.5
103.05441	3.7
105.01848	6.3
105.03416	4.3
109.02892	8.3
110.49210	2.8
111.04435	28.1
112.03958	4.4
112.08729	3.5
119.04958	5.7
121.06487	3.2
122.06025	6.1
123.04396	6.3
125.05995	31.4
127.03920	19.0
128.08221	4.7
129.08984	11.5
130.06555	3.1
130.09744	7.9
131.04932	12.0
136.03975	4.8
137.06004	12.0
145.04967	8.1
147.04424	14.8
150.05542	5.0
151.03932	2.9
153.05463	95.8
159.02850	3.8
163.03900	5.4
164.07076	11.2
165.05438	25.8
165.06657	3.3
168.06450	2.5
174.05537	8.0
175.03908	41.8
182.08112	4.9
191.03404	4.9
192.06593	11.0
193.04955	7.7
210.07710	5.2
216.07799	3.5
218.04358	14.8
219.02888	9.8
224.10286	3.0
234.08716	5.6
236.05417	5.1
237.05966	2.9
250.03206	3.1
252.09805	13.5
267.06525	4.2
268.06863	11.6
269.07724	3.7
270.10812	11.6
278.08017	4.4
278.11496	4.5
279.06589	3.7
279.10114	41.9
282.08521	3.0
296.08817	12.8
296.12677	4.5
297.07269	7.8
298.07962	14.2
308.09888	3.3
314.09793	100.0
315.10312	3.1
338.14978	24.2
356.16095	7.6
374.17114	11.6
382.13660	6.9
400.15033	8.0
418.16364	36.1
419.15814	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	418.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75388	1.5
58.06594	3.6
60.05650	22.4
68.05032	4.7
68.99801	1.8
69.03423	3.6
70.06587	10.6
70.68453	2.2
70.76584	1.7
71.04979	2.7
72.05636	42.3
73.06033	2.8
73.06421	34.6
79.05475	1.8
80.05006	3.6
82.09324	1.5
84.08107	1.7
86.06058	7.7
91.05482	11.3
92.05029	1.7
94.75729	1.6
95.04979	2.9
95.54330	1.9
97.06535	3.8
103.05453	4.8
105.04513	2.3
107.04941	2.8
108.04475	3.2
111.05553	2.5
112.03963	100.0
112.08714	4.5
117.39249	1.5
119.04939	7.1
122.05991	4.9
123.04419	6.6
128.08211	4.3
129.08978	9.5
130.09740	8.7
131.04915	14.1
137.05971	10.3
137.24023	1.9
138.05486	2.2
139.03966	2.0
140.07095	2.0
146.05984	3.0
147.04419	20.1
148.04883	1.8
148.07664	2.2
149.05957	3.1
150.05508	6.1
151.03918	4.5
160.46393	2.0
163.03918	5.5
164.07086	13.6
165.05470	29.9
166.08621	2.3
170.08138	26.7
174.05464	9.0
175.03903	58.7
182.08116	5.4
189.06621	2.5
190.05040	2.3
191.03410	8.9
192.06538	14.2
193.04980	9.9
194.04390	2.0
195.02879	2.7
200.13303	1.9
205.01357	2.7
210.07626	6.4
218.04425	11.7
219.02888	7.0
223.02428	2.1
224.10313	2.2
232.28714	1.8
234.08728	7.2
236.05544	4.8
242.11264	2.9
250.03635	2.3
250.12271	2.3
251.10518	1.5
252.09843	16.7
265.33820	1.8
267.06772	2.4
267.10049	5.5
270.10849	15.3
278.07700	3.2
278.11847	2.6
279.10138	69.0
280.10370	3.7
296.08771	14.2
296.12766	10.5
297.07288	3.0
314.09790	86.5
315.10135	2.6
322.10907	2.7
332.10864	2.6
338.14963	33.4
356.16043	14.1
358.53958	1.7
360.09238	2.0
374.17130	19.1
382.14139	2.2
400.14966	7.0
418.16272	43.9
419.16086	3.3
423.38400	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	418.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89169	0.3
55.01870	0.4
59.01366	0.4
60.05641	0.3
62.05064	0.3
65.03924	0.6
67.05499	0.5
70.06551	0.4
80.05013	8.8
81.07039	0.4
83.07348	1.1
84.08129	1.1
91.05461	0.7
92.04995	1.7
92.05811	0.4
93.05775	0.8
95.04955	0.5
103.05455	1.0
105.03370	1.0
105.06975	0.4
106.02885	0.8
107.04935	0.4
109.06459	0.5
110.06025	3.2
113.02341	1.4
115.52961	0.3
120.04458	18.9
121.02842	0.5
121.06514	3.4
122.06023	0.9
130.04979	0.5
131.03380	1.1
131.04892	1.7
134.02388	0.5
137.05936	0.5
137.58153	0.3
138.05469	0.7
139.03934	0.5
147.04411	0.6
148.03920	32.1
149.04266	0.6
150.05508	1.5
152.07027	2.9
155.20927	0.4
164.07095	0.8
166.04977	1.7
167.07050	1.0
178.05006	0.8
180.06540	100.0
180.85626	0.3
181.05194	0.6
181.06870	2.4
194.07932	0.5
205.03128	0.6
212.09157	99.9
213.09505	3.3
218.09091	0.5
230.10219	70.3
231.10551	2.0
232.02289	0.4
232.06044	0.5
256.11810	0.4
264.08609	1.1
267.06293	0.4
268.06802	1.2
274.55139	0.4
279.10010	0.5
297.07678	0.4
298.07919	0.9
314.12375	3.1
322.07803	0.4
338.14990	0.4
382.09848	0.5
418.18561	1.9
418.55051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91125	1.9
56.96564	4.3
65.67707	2.0
70.06592	6.1
71.24053	2.1
72.08161	2.7
73.90588	1.6
84.04488	3.2
84.08127	12.2
86.09709	10.0
87.67609	1.7
103.05461	8.8
107.04942	1.9
120.08096	100.0
121.08440	3.9
129.10229	8.8
131.04883	2.1
139.38959	1.5
153.06451	1.9
166.08624	46.9
167.08932	2.3
190.44336	1.8
297.53662	1.9
339.77716	1.8
346.55295	1.8
393.30106	1.9
418.25946	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	418.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12865	1.3
55.78016	1.3
57.03404	1.4
66.07552	1.4
69.03438	1.9
70.06593	3.2
70.20775	2.5
70.21082	2.2
72.08135	4.3
77.66837	1.4
84.08144	2.2
85.02895	8.3
86.09693	5.1
87.04475	1.6
87.50640	1.4
89.06020	74.5
97.02891	3.0
107.07053	2.4
127.03880	3.2
129.10219	2.8
133.08592	43.6
133.09567	2.8
151.09671	3.4
177.11157	7.3
195.12231	2.7
239.14856	100.0
240.15228	5.1
358.78342	1.5
418.17001	12.5
418.22229	1.7
418.24994	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	418.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92772	11.4
52.05630	10.9
55.05512	49.3
57.07077	33.2
67.05504	47.2
69.07066	68.4
81.07057	100.0
82.98845	10.9
83.08612	58.4
89.05991	19.7
91.05474	29.1
93.07047	40.4
95.04959	25.6
95.08604	71.7
97.10159	36.4
98.98486	25.3
105.07024	24.8
107.07067	22.4
107.08621	33.8
109.06511	17.6
109.10152	51.1
119.08594	24.1
121.10139	21.6
123.11672	19.3
133.10175	17.6
135.11670	21.2
140.31662	12.7
147.11641	18.0
149.13348	18.0
155.01030	13.3
230.45915	11.8
245.22705	63.0
263.23651	94.7
295.26236	19.7
418.28543	14.7
443.28000	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	418.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.21430	0.6
57.07072	9.0
58.06590	2.0
70.06589	21.0
70.11446	0.5
71.08631	4.1
72.08166	0.7
73.06425	0.7
75.44115	0.6
76.74039	0.7
77.10857	0.6
84.08157	0.6
85.10179	1.7
86.26000	0.6
87.35196	0.7
88.07629	24.7
89.06037	1.1
94.85712	0.5
102.09174	15.6
102.09861	1.1
131.04883	0.8
173.00333	0.7
175.03891	1.0
268.29944	1.0
270.10721	1.0
279.10266	1.3
312.32587	56.4
313.32925	3.8
313.99371	1.0
314.09863	2.3
338.14966	0.8
353.28030	0.6
400.37906	3.8
418.38879	100.0
419.39246	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	419.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.4
55.01870	12.3
57.03434	7.4
61.02925	10.3
65.03925	5.6
68.99781	11.6
69.03426	38.4
69.23536	7.9
70.06591	2.0
71.04996	7.2
73.02914	13.2
79.05489	4.7
81.03414	40.4
83.01299	2.0
83.04964	2.4
84.08147	2.6
85.02900	100.0
86.09689	3.9
87.00827	44.8
87.04432	1.5
89.06022	1.7
91.03953	3.6
91.05449	2.6
93.03394	3.3
95.04967	4.2
97.02890	42.1
99.04449	15.7
103.03943	5.9
103.05466	2.4
105.01864	22.4
107.04942	22.9
109.02872	42.1
111.04435	21.7
115.03905	2.0
117.01862	7.1
121.03999	2.1
121.06493	3.5
123.04432	2.2
124.05175	1.4
125.05965	4.3
127.03908	57.3
129.01852	7.3
131.04916	1.3
135.04385	6.7
137.12245	1.8
139.03896	46.5
140.04269	1.6
141.15381	1.4
145.03961	1.8
145.04965	25.5
146.03549	1.3
147.02867	7.7
147.04373	2.7
149.02376	2.3
149.06018	2.2
153.05498	3.9
159.02878	25.2
163.03886	34.3
169.04971	1.9
171.02869	3.2
171.06516	57.2
172.06850	1.6
173.05751	1.8
177.05479	5.3
180.04167	2.1
181.04958	17.2
183.06482	1.9
189.03928	5.4
189.05441	2.1
192.04187	1.7
195.06523	37.0
201.05489	1.4
203.03328	1.6
205.04965	4.8
207.02956	1.7
207.06528	8.1
209.08089	3.3
213.04150	2.5
213.07547	27.2
214.07843	2.2
219.06773	1.7
222.05156	4.4
231.05028	7.7
233.08064	6.9
237.07596	18.8
239.14845	2.8
261.07565	16.7
279.08615	21.5
280.05118	1.4
319.31113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03955	0.4
61.08787	0.2
68.99783	8.5
69.00162	0.5
71.04986	0.5
71.43050	0.2
77.03938	0.9
83.04974	0.3
91.05474	0.7
95.04961	1.7
97.02836	0.3
103.05460	31.4
104.05798	0.8
105.03395	0.9
105.04535	0.8
105.07029	0.6
107.01283	0.3
107.04959	0.3
109.02848	0.3
111.04407	0.7
113.05992	0.5
115.05464	1.7
117.07012	4.3
121.02811	0.3
125.02333	0.3
127.05417	0.4
128.06216	1.3
129.06987	0.8
131.04915	100.0
131.85126	0.2
132.05255	3.9
137.05916	0.3
139.00293	0.5
139.03877	3.5
141.05420	0.4
145.06473	3.9
147.08043	0.4
147.84036	0.3
151.03931	0.4
155.04880	4.4
155.06041	2.4
163.03929	0.3
165.05476	0.7
167.03403	1.1
173.05965	53.7
174.06310	2.1
179.03278	0.4
181.01303	1.0
185.00694	0.3
193.04976	1.2
193.10143	0.4
195.02872	1.1
205.01106	0.3
225.07547	0.4
229.07048	0.6
245.04509	0.4
265.10724	0.5
280.10449	0.4
283.04446	0.3
297.06305	0.6
313.10434	0.3
331.09607	0.6
332.98746	0.3
353.01196	0.3
366.99557	0.3
373.10458	0.3
399.37436	0.3
401.12277	0.7
419.16180	0.4
419.25064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.0
56.05037	16.0
60.13992	2.3
60.75602	2.4
65.69072	2.5
68.99786	6.0
69.03438	3.5
69.90749	2.2
70.99450	2.4
79.46799	2.8
84.04510	12.0
95.04979	6.0
98.23478	7.3
100.21524	2.4
103.05468	36.3
103.06105	3.1
105.07037	8.7
107.01291	5.1
109.02802	2.6
112.85365	2.8
113.07622	3.3
115.55408	2.6
119.04939	3.8
131.04926	100.0
131.05904	5.0
132.05255	5.1
134.02451	3.8
134.05998	3.3
138.05507	16.0
147.04463	2.6
163.03873	3.1
164.98232	4.7
165.01822	5.6
166.04996	37.9
174.01910	4.8
180.02971	2.5
182.99205	22.1
191.71492	2.6
192.02974	4.2
193.01323	6.0
194.04507	22.6
195.02910	6.5
201.00352	6.9
202.01355	81.3
203.01678	3.0
219.02916	2.6
220.02393	13.7
230.00865	7.6
248.01875	10.1
249.89088	2.7
258.88565	2.9
262.03455	7.1
269.04422	38.4
269.07605	4.9
278.08334	2.9
280.04538	27.5
285.86008	2.5
287.05527	3.2
301.07047	4.1
306.07608	36.2
315.10187	3.5
323.09158	3.7
334.06979	7.1
338.10156	4.4
352.08215	16.9
366.09695	56.5
367.09659	2.9
384.10638	6.6
397.84122	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	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19042	9.1
55.88485	8.9
60.48590	9.2
79.05488	15.9
85.02905	16.5
91.05499	15.4
95.87151	10.1
103.05476	22.0
105.07033	69.7
107.04987	13.0
111.04446	9.3
113.42767	9.3
115.05453	15.9
122.74533	9.6
131.04881	15.4
133.06483	64.8
147.13942	8.7
149.05978	11.8
161.05963	100.0
167.07018	11.7
191.07016	17.4
193.08597	89.9
209.08099	10.5
244.24173	10.7
387.14337	16.3
397.39078	9.6
419.16431	19.0
444.67679	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	420.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.5
56.96555	1.5
68.99801	3.5
70.06582	12.4
72.08163	2.4
84.04499	4.7
84.08145	3.2
85.02907	1.8
86.09673	2.1
95.01315	3.0
99.04456	1.3
116.84093	1.4
119.04964	3.7
121.02848	13.6
127.03915	1.7
129.10187	2.5
131.25844	1.3
136.03920	7.6
137.02338	5.7
137.05969	4.3
139.00294	1.6
145.02832	6.2
151.03893	8.7
153.01840	2.0
159.11259	1.3
163.03912	6.1
167.03375	1.8
177.01942	1.5
181.01332	4.3
181.06467	5.4
196.06067	9.2
209.05981	3.4
226.06281	1.7
237.05449	5.1
253.05019	2.2
254.05688	7.8
255.06506	75.1
256.06845	3.0
257.04391	1.7
265.04932	100.0
266.05292	5.4
269.08047	16.3
270.05276	3.1
271.05966	2.9
273.03979	3.4
280.06006	17.3
281.04285	12.8
283.05966	24.3
285.07562	6.8
291.09415	1.5
295.05914	2.3
297.04285	1.6
297.07520	3.0
298.07126	3.2
299.05502	6.3
308.05435	2.6
309.03760	7.3
313.07077	14.2
316.08157	1.8
325.03445	11.9
326.06522	2.0
342.06033	6.8
358.09265	4.5
359.09000	1.6
365.02625	1.4
376.10416	1.6
388.06549	5.5
388.14526	2.1
402.08157	33.1
420.08560	2.9
421.11218	1.5
421.17056	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.62791	1.8
58.62448	1.8
60.87347	2.0
69.03417	5.6
78.03438	4.4
81.03436	5.0
81.04665	1.9
85.02873	3.8
85.12346	2.1
106.02911	16.6
109.02896	3.2
117.79991	1.9
123.04417	3.1
124.03105	3.2
124.03952	39.6
127.03893	3.4
137.05963	8.2
177.06660	2.4
191.73946	2.0
213.41066	2.0
214.01384	2.4
216.64583	2.0
250.07158	4.9
268.08127	27.7
364.54807	2.1
420.12598	100.0
421.12762	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	420.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	1.2
58.29845	0.4
68.99775	1.8
70.02939	2.3
71.41579	0.6
79.05489	0.8
83.03722	2.4
88.56046	0.5
91.05476	6.0
97.72275	0.5
98.02388	1.8
103.05450	4.6
105.07013	7.3
107.04938	1.4
110.02390	1.2
111.03179	8.2
118.06568	2.3
119.07299	1.3
126.01856	2.0
131.04924	3.7
132.08102	1.1
137.06038	0.8
138.01851	32.2
139.02649	4.4
140.36812	0.5
156.02888	2.4
158.06021	0.6
166.01350	33.0
167.02129	69.1
168.02798	3.1
169.06470	0.6
178.01364	2.2
180.02878	0.9
184.02415	7.6
185.03185	39.7
186.03532	1.2
192.02986	1.2
196.02440	1.2
200.07085	0.6
224.01871	1.4
225.05421	4.9
228.06523	2.1
229.07385	0.9
242.08113	5.5
246.07608	1.6
270.05338	0.9
270.07584	38.5
271.08362	57.4
272.08829	3.5
273.07660	0.7
274.97571	0.6
282.07813	0.8
284.09195	0.7
288.01334	0.6
288.08636	2.0
316.00958	2.1
334.02078	0.9
338.96558	0.5
374.13840	100.0
375.14218	7.8
375.18591	1.0
402.13385	1.0
420.07346	1.5
420.14377	12.3
421.14917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62588	4.4
53.03961	8.3
55.01861	8.0
55.10839	5.1
60.05650	4.6
62.58528	4.3
69.03434	25.6
70.06594	48.5
71.04989	8.5
71.42677	5.5
72.08157	8.1
73.02914	5.6
81.03424	17.0
84.08144	5.6
85.02907	77.5
86.09698	4.6
86.33834	4.6
87.00834	23.5
91.03967	6.1
91.05480	11.0
97.02874	25.8
99.04469	12.7
105.01875	32.8
105.07064	6.6
108.35319	4.7
109.02895	18.9
112.08712	8.9
115.08698	6.2
115.36710	5.4
120.08100	29.7
121.02879	28.8
122.03184	6.7
127.03920	39.3
137.05968	100.0
138.05536	9.8
145.04953	14.2
147.04352	9.5
151.07515	12.4
159.02895	8.2
161.06013	10.2
165.05441	4.9
179.07076	20.9
189.34613	4.8
203.07089	7.9
217.11868	9.1
221.08054	11.7
231.05025	5.3
245.08174	16.4
247.70885	5.5
263.09131	17.6
308.20917	4.5
376.10092	7.9
403.06686	9.1
408.50540	4.9
420.09146	23.8
421.21301	9.6
429.47232	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	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
54.01544	0.3
55.01859	0.5
55.33721	0.4
57.03433	0.3
61.02908	0.5
62.41022	0.3
66.04719	0.6
66.14739	0.3
69.03432	1.8
69.80103	0.9
70.06597	0.5
71.04994	0.4
73.02910	0.4
74.11752	0.4
81.03426	1.8
85.02898	3.6
85.72366	0.3
87.00809	1.7
87.89367	0.3
91.03927	0.3
91.05504	0.4
92.83005	0.4
94.04184	2.0
97.02885	1.4
99.04450	0.9
105.01869	1.1
107.04914	0.4
108.04462	0.4
109.02882	1.4
113.07121	0.4
122.03652	5.2
125.70206	0.3
127.03909	2.0
137.05974	100.0
138.06345	2.3
145.04985	1.4
147.04343	0.4
159.02913	0.7
172.07500	0.5
245.08102	0.4
269.17493	0.4
421.16660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01874	8.3
57.03429	7.6
61.02930	6.8
66.57581	1.5
68.99799	3.4
69.03426	36.1
70.06605	1.7
71.04980	4.0
73.02930	7.3
80.26383	1.2
81.03421	26.7
85.02901	100.0
87.00823	36.1
87.01331	2.7
91.03944	2.0
91.05482	9.6
97.02890	27.2
99.04459	14.7
100.04824	1.3
103.03941	1.4
105.01859	50.3
108.04504	4.5
109.02876	28.2
117.01823	3.2
119.04936	6.3
123.04449	2.4
126.05503	2.5
127.03915	61.8
129.01836	4.4
129.06909	2.1
133.06485	2.2
137.05974	26.8
141.53558	1.3
145.04948	35.0
147.02885	3.1
147.04396	1.4
149.06009	1.9
151.07506	11.6
157.06467	3.3
159.02878	16.9
161.06021	9.9
165.05496	6.5
171.02907	2.1
175.07527	5.4
177.05544	1.6
179.07027	28.2
181.06429	2.3
185.05875	1.6
189.03949	7.1
191.07030	1.9
199.07495	2.6
203.07011	9.6
213.03912	1.9
217.08676	1.9
217.53619	1.4
221.08060	13.7
225.10408	1.2
227.07124	2.7
230.06485	1.6
231.04996	17.9
240.54893	1.3
245.08113	12.0
248.07582	2.7
249.06093	3.2
263.09128	24.8
266.08533	1.8
339.67105	1.3
349.09158	5.2
367.10233	4.3
403.06631	2.0
420.15408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
60.00102	1.1
61.54908	0.9
69.03428	13.4
70.62696	1.7
71.04972	1.3
71.95741	1.1
72.08156	1.4
76.65534	0.9
76.79891	0.9
77.33663	0.8
78.03459	12.7
78.29206	0.9
80.05023	2.7
81.03417	15.4
81.03852	1.9
84.08130	1.9
85.02908	8.5
96.04480	3.3
97.02865	4.5
99.04439	2.6
104.38525	0.9
104.99245	1.3
106.02915	38.8
109.02881	9.1
117.05443	1.3
124.03947	100.0
125.04305	2.0
127.03929	7.2
136.03908	2.7
137.05948	3.6
137.30099	1.0
145.04967	1.5
154.04987	1.3
181.79935	0.9
211.98459	1.0
232.06137	1.3
240.44650	0.9
250.07101	12.7
251.07486	0.9
268.08148	55.2
269.08588	2.8
278.85623	1.0
286.60370	0.9
420.15070	6.9
423.10938	1.1
438.14969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	22.9
60.91327	7.8
67.05521	8.4
69.03429	92.9
69.78291	20.1
70.03729	7.5
72.48849	7.0
75.98910	7.5
85.02917	57.2
87.04458	66.0
91.05479	85.6
97.02888	85.8
105.07067	8.8
107.04945	20.7
109.25130	7.6
115.03932	100.0
116.98106	6.5
121.02837	7.6
123.08062	9.1
123.27365	6.9
126.55592	6.9
127.03909	13.9
133.04970	94.7
133.06581	8.5
145.04959	12.0
147.04431	16.3
150.07634	15.9
163.03934	18.7
164.04211	19.1
205.08606	10.4
209.15204	7.5
223.09563	11.0
238.08041	7.4
247.06007	14.5
248.06317	15.2
253.28207	7.6
265.07285	11.1
266.07489	14.1
384.11429	13.2
420.15018	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	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.4
55.61301	1.4
55.70089	1.4
57.03434	15.9
58.06245	1.2
59.04995	2.2
60.05664	1.6
61.02932	12.8
65.03933	3.3
67.23161	1.4
69.03062	2.3
69.03419	23.7
71.01355	4.3
72.05648	1.7
73.02917	71.0
81.03429	3.4
85.02905	62.0
87.04479	2.2
91.05480	100.0
92.05801	2.0
97.02895	52.1
99.04443	2.1
105.07037	5.2
109.02871	4.3
115.03932	26.0
117.07014	4.5
127.03912	19.3
129.07016	3.3
131.04927	3.7
131.08571	1.8
133.04965	28.7
133.06488	6.2
137.05946	10.6
143.08585	1.7
145.04959	27.8
145.06459	4.9
147.04372	2.8
150.07591	2.2
157.06491	3.0
161.04524	1.9
163.06013	12.1
163.07538	5.0
175.07458	1.7
192.05006	1.3
193.04962	2.1
199.05975	2.3
205.08624	4.9
217.08710	2.2
223.06020	4.8
223.09656	3.6
241.07059	6.2
259.08057	6.6
267.49112	1.5
277.09103	2.2
295.10202	2.7
304.56628	1.6
316.10443	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	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
53.18415	0.4
55.05508	0.7
57.07077	0.9
67.05501	3.6
69.03434	1.9
69.07068	1.4
69.45779	1.7
73.02942	0.4
79.05494	7.8
81.03443	0.5
81.07054	100.0
81.13209	0.4
82.07380	1.7
83.04999	0.5
85.02892	3.2
87.00829	1.6
93.07059	0.8
95.08607	9.6
97.02904	1.4
105.01866	1.5
106.02975	0.5
109.02882	0.7
109.10183	0.8
111.04454	1.6
124.03989	0.5
127.03908	2.5
137.13248	19.3
145.04985	1.8
155.29140	0.6
159.02950	0.6
220.27979	0.6
231.05064	1.5
311.07147	0.5
346.93347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
57.07071	1.9
59.53286	1.3
67.05505	3.9
69.03424	3.2
69.07076	3.8
69.41875	5.8
79.05485	9.2
81.03427	2.3
81.07047	100.0
82.07407	1.8
85.02888	6.8
87.00836	3.3
93.07002	1.7
95.08593	16.7
97.02902	4.3
105.01839	6.3
109.02872	2.3
111.04428	2.3
119.44913	1.2
122.12343	1.2
124.13297	1.2
127.03899	4.3
137.13248	19.8
138.13567	1.6
145.04921	5.6
147.74988	1.2
231.04924	1.9
252.91508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.05508	1.5
57.07072	2.0
67.05514	5.3
67.05804	1.1
69.03431	10.9
69.07059	5.5
70.69704	1.2
73.02934	1.0
75.34068	0.8
78.43333	0.9
79.05482	10.3
81.03420	4.9
81.07053	100.0
83.04974	3.8
85.02903	9.1
87.00818	4.2
91.05468	2.6
93.07040	2.5
95.04961	2.0
95.08603	16.8
97.02872	6.5
99.04412	1.2
105.01862	7.5
105.07021	3.3
107.08640	1.2
109.02883	2.7
109.10145	1.8
111.04435	9.1
117.07015	1.5
119.08586	1.4
127.03907	8.4
129.06947	1.1
131.08543	2.9
137.13249	19.1
143.08575	2.0
145.04959	5.9
145.10127	3.5
155.08517	1.2
157.10106	2.0
159.02870	2.6
171.11639	1.9
173.13245	8.7
183.11751	1.7
189.12712	1.4
191.25063	1.0
201.12726	2.6
219.13799	3.2
231.04976	3.8
249.05933	1.7
389.19586	14.8
390.19839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74634	2.5
55.01848	3.6
55.05507	19.8
57.07079	3.3
62.36237	2.5
67.05484	10.1
69.03422	60.5
69.07042	4.8
69.94762	4.5
69.95089	4.4
70.87856	2.6
79.05486	9.4
81.03404	28.0
81.07054	9.9
83.04971	49.0
88.07622	3.5
91.05471	23.0
93.07014	12.6
95.04948	13.4
95.08604	8.5
97.02910	3.3
98.22693	3.5
105.07017	26.2
106.02943	3.6
107.08595	10.7
109.06486	4.2
111.04430	83.5
111.05164	4.7
115.05455	5.0
117.07015	17.2
119.08578	18.5
121.06523	4.4
121.10133	4.8
122.70427	2.6
124.03955	21.9
129.07007	12.0
131.08554	38.6
133.06435	4.6
133.10109	5.8
135.08060	6.4
141.06938	7.6
142.07831	8.0
143.08571	19.6
144.09276	4.3
145.06523	4.5
145.10117	34.5
147.04356	8.0
147.08049	5.7
147.11659	5.1
149.09624	3.8
153.06918	5.6
155.08551	12.4
156.09320	10.1
157.10098	16.0
159.08092	4.8
159.11708	13.9
161.09656	4.6
165.09106	5.3
167.08527	6.7
168.09305	6.1
169.10127	9.9
171.08020	4.7
171.11687	11.9
173.09683	6.9
173.13248	58.4
175.11168	3.0
181.10115	9.3
183.07980	4.4
183.11696	11.7
189.12737	7.8
191.06990	8.5
191.10715	4.1
191.14253	3.5
193.10143	3.4
195.11670	7.8
197.13274	4.7
201.12741	19.5
203.14258	3.5
207.11731	4.5
209.13321	4.2
217.10213	4.2
217.12251	3.6
219.13777	18.3
223.14877	3.6
225.12624	3.5
236.03615	2.7
237.16481	3.0
247.15277	2.9
256.26263	4.2
265.16113	4.3
311.16449	8.4
329.17520	8.5
347.18576	5.8
389.19519	100.0
390.19727	4.6
420.31189	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	420.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49110	17.7
55.05511	37.3
59.26785	18.6
67.05494	47.5
69.07059	22.1
69.38861	51.7
79.05468	43.7
81.07037	59.1
90.52423	20.8
91.05478	33.4
93.07018	49.3
95.08565	35.6
99.33395	17.4
100.56647	19.0
105.07024	20.3
109.10162	24.6
119.08568	20.8
121.02866	36.5
121.10176	21.1
123.82867	21.0
133.10109	23.6
145.10086	18.6
147.04456	26.4
149.13274	18.6
149.64746	17.8
156.78821	21.2
167.72485	21.9
269.17462	100.0
303.01294	23.8
429.94034	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85869	18.9
55.05509	27.7
67.05493	61.5
69.03432	21.8
69.07077	26.0
71.41751	21.3
79.05490	47.6
81.07052	79.9
81.34523	20.0
91.05476	42.0
93.07030	46.8
95.08572	33.3
105.07040	31.5
107.08589	43.8
109.10123	26.0
119.08542	29.4
121.10172	25.3
140.95094	23.4
142.07738	22.9
145.10135	30.0
149.13191	25.7
159.11681	30.6
211.15485	19.9
269.17328	100.0
275.20029	42.4
295.15079	21.5
335.14270	25.5
347.48486	25.4
349.23801	33.0
380.16959	24.2
421.05261	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	420.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	28.3
56.00430	12.5
67.05494	26.7
69.07048	17.3
69.84449	35.2
71.04984	12.6
79.05469	19.9
81.07043	100.0
83.04968	31.9
84.01279	11.8
91.05460	30.2
93.07037	62.8
95.04955	71.9
95.08606	51.0
97.06530	19.4
98.98385	12.0
105.07020	53.8
107.08576	53.2
109.06511	17.1
109.10150	41.7
117.07942	10.9
119.08566	67.4
121.10130	32.6
123.11711	20.3
129.37354	14.0
131.08513	24.7
133.10132	39.8
145.10097	40.9
147.11679	37.4
149.13339	18.1
159.11690	25.7
161.13274	23.2
173.13225	24.3
189.16293	30.0
201.16356	15.8
353.28168	16.7
421.24966	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	421.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
65.03928	2.4
67.05500	3.2
68.99778	1.7
70.91069	0.8
81.03380	0.8
85.02898	2.3
90.82393	0.6
91.05471	1.0
95.04983	1.9
103.03921	0.6
105.04504	0.7
105.07023	1.3
108.02100	2.9
111.04456	1.6
115.29819	0.6
119.04967	0.7
121.06501	1.7
123.04420	2.2
127.03877	0.8
131.04988	1.6
133.06517	1.2
136.01576	1.1
137.05988	1.5
139.03894	1.6
141.05458	3.2
147.04373	1.7
149.02298	0.8
149.05966	0.8
151.03906	100.0
151.05019	10.9
152.04236	3.1
161.05981	1.5
163.03862	4.2
165.05493	1.7
169.04890	0.8
189.05453	4.7
191.03394	1.5
193.04953	3.3
202.28448	0.6
211.06094	0.8
217.04935	7.8
235.06024	2.7
243.57787	0.6
253.06995	3.8
287.88144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.128
Annotation	Artonol B
Peak:m/z	Relative Intensity
51.02370	0.5
53.03952	0.8
55.01873	0.7
60.81466	0.6
63.09438	0.5
67.03695	0.5
68.99789	2.8
69.07667	3.4
69.08075	0.9
77.03891	0.6
91.05483	3.2
95.01319	0.5
95.04962	1.8
102.11322	0.6
103.05465	36.1
104.05780	1.2
104.99297	0.6
105.03399	3.0
105.04478	1.2
105.07034	1.1
107.04926	0.7
115.05450	33.1
116.05774	0.9
117.06987	3.3
121.06493	1.9
128.06190	3.5
129.06996	2.4
131.04921	100.0
132.05254	3.1
133.06479	2.7
139.05467	0.7
141.06993	4.8
143.03351	0.6
143.03584	0.6
143.04909	12.2
145.06473	2.4
147.08064	1.0
152.49805	0.6
153.06992	1.1
155.04906	6.6
155.06038	1.7
157.06490	1.4
161.05959	1.5
165.07022	0.9
169.01349	0.8
169.06538	0.6
171.04399	22.4
171.08014	2.3
172.04742	0.9
173.05981	11.1
174.06305	0.6
175.07536	2.1
180.69075	0.6
181.06439	1.0
183.04391	11.3
183.08031	1.1
184.05193	7.2
185.05956	0.9
189.05428	3.2
195.04396	0.8
197.05878	2.7
197.35667	0.6
199.07620	1.1
201.05441	1.1
203.07008	3.4
211.03918	5.2
212.04720	5.4
212.21893	0.7
213.05450	3.5
215.03416	2.2
215.07007	1.4
217.04948	2.2
227.07007	34.7
228.07315	1.3
229.04948	17.7
230.05692	10.0
231.06418	3.4
239.03369	11.9
239.06992	1.4
240.03719	1.1
243.06566	1.7
243.41763	0.6
245.08086	1.7
253.08508	1.0
257.04419	16.2
271.05951	10.0
275.05551	1.7
289.07028	44.5
290.07541	2.7
298.39240	0.6
307.08066	5.3
315.10184	1.7
316.98767	0.7
317.06348	1.2
331.13245	4.7
333.11084	0.9
343.09695	9.1
344.09976	1.0
375.12228	45.0
376.12509	3.6
393.13278	9.3
420.86749	0.6
421.05411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34086	0.6
55.01854	0.7
64.62743	0.6
68.99789	3.6
69.44902	3.8
70.06596	1.8
77.03902	1.4
91.05493	3.6
95.01325	1.1
95.04967	2.4
97.02879	0.9
99.04426	0.9
103.05466	34.2
105.04488	0.8
105.07022	2.6
107.01326	1.3
107.04951	11.3
110.26173	0.7
115.05464	3.1
117.07016	1.7
119.04945	1.9
121.02881	7.1
121.06591	0.8
124.13849	0.6
125.02357	1.2
127.03896	1.1
129.07002	1.1
131.04926	100.0
132.05243	3.3
133.06490	11.9
137.02370	0.8
137.05988	0.8
143.04968	1.0
145.06470	6.3
147.00812	1.0
147.04401	1.1
155.04910	5.7
155.06075	1.8
157.06465	1.6
159.04413	3.4
161.05986	12.2
165.01816	1.5
169.01297	2.1
171.04408	14.4
171.05609	2.7
172.04785	0.9
173.05991	10.8
181.01279	1.0
181.06517	1.5
183.04422	6.5
184.05164	0.8
185.05902	1.9
187.03903	2.3
189.05484	6.0
193.01407	1.7
199.03874	10.1
201.05493	6.9
203.07047	2.5
211.03943	4.9
213.00294	0.8
213.03716	1.1
213.05528	2.5
215.03395	2.7
215.06975	1.0
217.05026	3.1
219.06525	1.1
225.00320	1.5
229.04961	7.5
231.06543	1.8
237.00301	1.0
237.05511	1.1
239.03413	8.1
247.06071	3.5
249.00337	1.0
253.04951	1.1
257.04459	19.8
258.04898	1.5
261.07532	1.2
265.04843	1.1
267.02908	7.1
267.05640	1.1
269.09698	1.3
271.06088	2.1
275.05499	4.1
275.10632	1.0
281.04477	1.8
281.09610	0.8
285.03912	11.6
287.10489	0.8
288.99777	2.4
289.06998	2.4
297.09039	2.9
299.05533	5.6
303.05188	1.1
315.10242	1.0
316.99313	2.9
317.02661	2.1
317.06549	10.0
325.08508	1.4
327.09756	0.8
330.98264	0.8
335.00311	1.5
335.07394	0.9
343.09634	9.7
344.10214	1.0
357.11185	2.0
361.10764	3.1
371.08972	6.2
389.10312	2.4
403.11789	1.6
421.08737	3.4
421.13556	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	421.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76621	0.5
52.41573	0.6
52.64032	0.5
54.90069	0.6
55.01863	1.0
68.88702	0.6
68.99774	3.8
69.11938	1.3
69.12342	3.0
70.06571	2.1
74.63507	0.6
77.03904	1.0
88.42896	0.6
91.05478	3.9
95.01343	1.1
95.04935	2.3
98.23499	1.0
102.24981	0.6
103.05454	39.6
104.05787	0.6
105.04484	1.0
105.07015	3.2
107.04942	9.8
111.04430	0.9
114.37065	0.6
114.59206	0.7
115.05452	2.8
117.06984	1.9
119.04893	3.7
121.02852	5.1
123.00794	1.2
126.01042	1.6
128.00760	0.6
128.06207	0.9
129.06961	0.8
131.04913	100.0
132.05211	2.9
133.06487	11.2
143.04922	1.1
145.06456	5.1
147.00520	0.8
147.04442	1.6
155.04887	6.4
155.06000	1.2
157.06467	1.9
159.04391	4.2
161.05969	11.6
169.01286	1.2
171.04396	12.4
171.05600	3.0
173.05956	10.0
181.01268	0.9
181.06445	0.7
183.04366	5.8
185.05978	1.4
187.03865	2.9
188.97769	0.7
189.05420	6.1
193.01172	0.9
195.04419	1.0
199.03896	11.2
200.04408	0.6
201.05421	5.8
203.07004	3.0
205.15805	0.9
211.03899	5.5
212.04564	1.0
213.05553	1.6
215.03391	2.2
217.05009	3.6
219.06505	1.2
227.06956	1.1
229.04936	7.0
231.06459	2.3
233.04454	1.4
237.05455	1.5
239.03369	8.1
241.05055	1.2
247.05925	3.0
257.04422	19.2
258.04614	1.0
261.07660	1.0
265.05032	1.7
267.02869	6.8
269.09637	1.2
271.06094	1.3
275.05502	5.2
281.04501	1.5
281.09344	0.7
285.03885	9.9
288.99832	0.8
289.07010	0.9
297.08932	2.9
299.05441	5.5
303.05148	1.2
307.08011	1.0
315.10187	1.1
316.99353	1.8
317.06543	12.3
325.08502	2.2
335.00006	0.7
335.07401	0.8
343.09653	8.9
357.11389	1.4
361.10632	2.8
371.09177	7.4
389.10046	1.7
403.11688	2.4
421.12173	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	421.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
53.13694	0.3
55.01863	0.4
55.05297	0.3
55.05513	2.8
55.23959	0.3
65.03936	0.7
66.36689	0.3
67.05506	1.9
69.03424	13.3
69.07063	0.4
69.45058	1.0
69.45469	0.6
71.04994	0.5
79.05496	2.0
80.80989	0.3
81.03413	2.4
81.07053	1.8
83.04974	10.8
85.06539	0.4
91.05475	2.7
93.07046	1.5
95.04958	1.7
95.08629	1.1
97.06532	0.7
98.23473	0.7
101.55008	0.4
104.24912	0.3
105.07029	2.9
105.93235	0.3
107.04925	0.3
107.08593	1.4
109.02888	0.6
109.06516	0.7
111.04438	39.6
113.06019	2.5
115.05469	0.6
117.07012	2.5
118.92786	0.3
119.08557	2.2
121.06511	0.7
121.10150	0.4
123.08070	0.6
123.52292	0.3
125.05988	1.1
128.06224	1.1
129.07001	1.9
130.07761	0.3
131.08572	3.0
133.06445	0.6
133.10129	0.8
135.08087	0.5
135.11629	0.4
139.03769	0.3
141.06985	1.6
142.07739	1.6
143.07019	2.7
143.08562	3.7
145.06439	1.0
145.10120	4.0
147.08060	0.6
149.09590	0.6
153.06995	0.7
155.08521	2.6
156.09357	1.9
157.10124	3.0
158.10944	0.4
159.08090	0.6
159.11687	1.4
161.09599	0.8
163.11174	0.7
165.07024	1.1
165.09079	0.8
166.07840	0.7
167.08519	1.7
168.09340	0.9
169.04700	0.4
169.10127	2.6
171.08054	0.6
171.11682	4.4
173.09621	1.2
173.13240	2.3
175.11205	0.6
178.07738	0.4
179.08524	1.6
180.09344	0.8
181.10107	1.7
182.10956	0.4
183.08150	0.3
183.11629	1.7
185.09671	0.4
185.13283	0.5
187.11169	0.8
189.12810	0.6
191.08699	0.7
191.10669	1.8
192.09320	1.0
193.10173	1.5
194.10870	0.6
195.08008	0.4
195.11641	1.7
197.09602	0.5
197.13280	1.5
199.11223	1.0
201.05219	1.9
201.12701	0.7
203.08586	0.5
205.10139	0.9
206.10902	1.1
207.11777	1.2
209.09697	0.6
209.13237	1.5
211.14813	0.6
213.12633	0.5
216.07549	10.3
216.09503	0.7
217.08351	6.0
217.10060	0.4
217.12216	0.9
219.11761	0.7
219.13730	0.7
221.13223	2.2
223.11327	0.5
223.14809	0.7
225.12753	0.8
227.05251	3.6
227.14236	0.4
232.12357	0.3
235.14758	0.4
237.12778	0.7
237.16476	0.8
239.14301	1.0
243.13788	0.7
247.14914	0.8
247.72983	0.4
249.12769	0.4
265.15787	1.6
267.13788	1.3
283.16858	1.8
285.14896	0.4
293.15280	0.7
311.16354	3.0
329.17502	3.7
347.18802	0.4
350.09689	0.9
389.19690	1.0
390.12833	0.7
391.14096	0.5
392.38217	0.3
421.14664	100.0
422.14896	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	421.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
57.03434	2.3
58.29391	0.9
61.02923	1.4
63.80578	1.0
65.03939	2.8
68.99781	1.3
69.03420	1.2
69.11914	3.0
69.12335	4.3
79.05478	3.1
81.03415	1.6
83.01316	1.3
85.02898	9.5
90.09357	1.0
91.05477	100.0
92.05795	1.6
93.09570	0.9
95.04945	1.5
97.02869	1.7
98.94926	1.1
103.03942	2.6
103.05453	3.4
105.07029	95.1
106.07376	2.4
107.04950	1.1
109.02876	4.4
111.00801	1.6
115.05453	12.4
117.06985	1.3
121.02851	1.6
123.04416	5.2
124.58969	1.0
125.02347	1.1
127.03850	1.7
129.07007	3.3
131.04892	2.2
131.82181	1.0
133.06494	8.5
139.03893	14.8
147.04424	1.6
149.02347	1.8
151.03906	9.8
153.01860	1.3
155.04887	2.4
157.06482	15.7
163.03871	4.5
165.01762	1.3
165.05418	1.5
167.08524	1.6
175.03876	2.9
177.05507	1.3
179.08545	1.6
181.10106	1.8
191.08578	1.6
193.05008	5.8
199.07503	1.1
201.05426	1.5
203.03279	1.1
205.04939	9.1
209.09540	2.2
217.05002	1.5
219.08055	1.7
223.07561	1.3
235.05939	2.2
237.09042	2.7
243.68933	1.1
249.09538	1.2
253.08640	7.8
259.09735	4.7
261.09039	1.0
265.08588	3.1
271.09650	16.0
277.08585	3.0
279.10062	2.4
283.09662	18.1
291.09930	1.6
295.09729	1.8
301.10739	17.1
302.10950	1.6
307.09692	2.0
319.09760	6.1
325.10724	21.2
326.10916	1.5
331.09628	4.0
337.10687	18.0
338.11023	2.1
349.10693	10.4
355.11783	1.8
367.11929	4.7
385.12503	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95614	5.6
53.03960	6.9
55.05518	15.1
59.96884	5.9
67.05498	16.9
69.03436	57.9
69.07056	12.9
70.05119	11.4
73.68831	6.8
74.97943	7.3
81.03424	30.7
81.07072	12.2
82.56140	5.8
83.05000	36.7
91.05489	22.3
93.07036	17.7
95.04959	12.2
95.08609	17.0
105.07028	21.0
107.04940	9.9
107.08605	13.0
109.02885	8.9
109.10204	8.9
111.04425	74.5
113.06051	6.7
117.07014	21.1
119.08587	29.8
121.10120	7.9
129.07018	11.4
131.08569	32.0
133.10156	18.3
142.07764	9.0
143.08580	20.7
145.06473	8.1
145.10141	26.0
147.11649	8.4
155.08582	6.7
157.10132	30.9
158.10857	7.6
159.11697	10.3
160.15535	6.1
161.09692	12.8
163.11224	12.0
169.10068	10.3
171.11717	16.2
173.09683	6.6
173.13264	100.0
175.14818	9.1
178.07941	5.9
179.08549	6.6
181.10172	11.9
183.11723	19.4
189.12744	13.2
191.14299	46.5
201.12782	28.0
203.14352	10.0
211.52188	6.3
219.13762	41.2
251.16449	20.5
255.13808	8.0
265.15942	11.4
273.14844	18.2
283.16956	9.8
311.16373	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04988	0.3
53.03936	0.7
55.01863	1.2
55.05511	7.6
57.03427	0.6
57.07058	0.3
61.76808	0.3
65.01749	0.3
65.03925	1.6
67.05503	5.6
69.03427	35.5
69.07063	1.8
69.61124	0.7
69.61518	0.7
70.03761	0.3
71.04993	1.3
73.37688	0.3
76.12549	0.3
79.05492	3.9
81.03416	5.3
81.07055	4.2
83.04977	26.6
83.08595	0.5
85.02897	1.1
85.06531	0.8
91.04933	0.6
91.05477	7.2
93.07039	4.1
95.04971	4.2
95.08595	2.9
97.02872	0.5
97.06515	2.4
98.22717	0.4
99.04462	0.9
101.33037	0.3
103.05433	0.8
105.03392	0.3
105.07025	7.8
107.04953	1.1
107.08589	3.1
109.02885	0.4
109.06537	2.2
109.10165	1.3
111.04436	100.0
112.04779	2.3
113.06004	5.6
115.05459	1.4
117.07009	5.3
119.04933	0.7
119.08582	6.5
121.06525	1.6
121.10147	1.4
123.04435	0.4
123.08073	1.4
124.34331	0.3
125.05981	2.1
127.01562	0.5
127.07547	0.6
128.06198	2.5
129.07008	3.8
130.07744	1.4
131.04965	0.6
131.08566	7.1
133.06491	1.3
133.10129	2.2
135.08014	1.5
135.11661	1.2
137.05952	0.6
137.09676	0.4
138.44151	0.3
139.07573	0.4
141.07004	3.2
142.07782	2.6
143.07031	8.9
143.08551	7.4
144.09360	0.5
145.06488	1.4
145.10115	12.2
146.10471	0.6
147.08038	2.1
147.11682	1.0
149.09647	1.0
151.07510	0.6
152.06236	0.7
153.06992	2.1
154.07738	0.9
155.08546	6.3
156.09325	3.9
157.06444	0.6
157.10120	7.5
158.10873	0.6
159.08026	2.2
159.11674	2.9
161.05997	0.3
161.09578	2.2
161.13303	0.5
163.07512	0.6
163.11159	1.4
165.06990	2.6
165.09085	2.9
166.07773	1.4
167.08548	3.7
167.10741	0.4
167.41980	0.3
168.09299	1.4
169.06509	0.5
169.10121	7.6
170.10820	0.5
171.08060	1.1
171.11679	9.2
173.09628	3.5
173.13242	9.7
174.13588	0.4
175.11252	0.9
175.14867	0.7
178.07793	1.4
179.08545	3.1
180.09312	1.7
181.06572	0.5
181.10110	6.2
182.07399	0.4
182.10963	1.8
183.08064	1.1
183.11664	4.3
185.09573	1.6
185.13229	1.9
187.11192	1.2
189.09149	0.4
189.12756	1.2
191.08633	1.9
191.10675	6.4
191.14278	1.1
192.09341	1.9
192.10864	0.4
193.10167	3.7
193.11938	0.5
194.10866	1.4
195.08069	1.0
195.11676	5.3
196.08731	0.6
196.12292	0.5
197.09727	2.1
197.11702	0.7
197.13261	4.0
199.11150	2.5
201.09053	0.4
201.12794	2.2
203.08592	0.7
203.14287	0.5
204.09390	0.6
205.10150	1.7
206.10893	3.8
207.11688	3.3
208.08775	0.4
208.12477	0.5
209.09630	1.2
209.13211	2.3
210.10321	0.4
211.11105	1.6
211.14908	0.7
213.09135	0.5
213.12767	1.0
215.08653	0.4
215.14172	0.6
216.09096	0.4
217.10124	1.0
217.12253	3.0
218.10815	0.7
219.11685	1.3
219.13834	2.9
221.13225	5.2
221.15266	0.4
222.13985	0.9
223.11151	1.3
223.14719	1.7
224.11555	0.4
225.12781	1.6
227.10760	0.4
227.14348	0.7
229.12204	0.7
231.11710	0.5
231.13811	0.5
232.12495	1.7
233.09576	0.4
233.13312	0.6
234.10338	0.6
235.14883	0.8
237.12752	1.5
237.16534	1.7
239.14276	2.5
241.12254	0.8
243.13823	1.4
247.14882	2.1
249.12642	1.6
251.14412	0.7
253.12415	0.6
253.15916	0.9
255.13783	0.6
255.17465	0.7
263.14279	0.6
265.15845	3.7
267.13828	2.6
269.15366	0.7
276.25879	0.3
281.15393	1.1
283.16898	4.8
285.14890	0.9
293.15244	2.1
299.16711	0.4
301.17987	1.0
311.16376	8.5
329.17456	10.7
329.21292	0.7
330.17664	0.9
343.19107	0.5
347.18512	1.3
348.24042	0.3
365.19537	0.4
389.19495	3.1
421.09055	0.9
421.21988	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	421.222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39786	0.9
55.05503	7.3
57.07080	1.0
58.40078	0.8
65.03930	1.8
67.05502	4.0
69.03427	33.0
69.07072	1.5
70.01395	1.2
70.01703	1.6
70.06594	2.4
70.56326	0.9
71.01331	1.0
71.05018	1.2
74.91329	0.8
79.05495	3.8
81.03419	3.7
81.07050	3.3
83.04974	24.6
85.02927	0.9
85.10355	0.8
85.88905	0.8
86.34975	0.9
88.07630	3.3
91.05472	7.6
93.07044	2.9
95.04974	2.8
95.08611	3.4
96.70512	0.8
97.02896	0.8
97.06535	1.6
102.09200	1.7
103.05428	1.1
105.07042	7.6
107.04947	1.0
107.08608	3.9
109.06545	2.6
111.04440	100.0
112.04778	1.9
113.06006	3.7
115.05454	1.7
115.44993	0.8
117.07020	5.2
119.04980	1.7
119.08561	5.5
121.06487	2.1
123.08067	1.1
125.06028	2.8
127.07527	1.2
128.06224	2.2
129.07005	3.5
130.07791	1.9
131.04953	2.5
131.08575	6.0
133.06499	1.4
133.10139	1.8
134.57980	0.9
135.08022	1.2
135.63516	0.9
141.07019	2.7
142.07800	3.0
143.07002	6.7
143.08595	5.9
144.09338	0.8
145.06497	1.8
145.10089	10.5
147.04395	8.2
147.08049	1.4
147.11629	1.0
148.04779	2.3
149.02312	1.7
149.09631	0.9
153.06975	2.0
154.07855	1.0
155.08583	5.1
156.09344	4.4
157.10172	6.2
158.10643	0.9
159.08014	1.2
159.11723	3.7
161.09590	1.4
163.11159	1.0
165.07027	1.7
165.09161	3.0
166.07799	1.3
167.08569	3.5
168.09381	2.3
169.10098	6.6
170.10965	0.8
171.07954	1.5
171.11685	9.2
173.09586	2.0
173.13251	8.1
175.11166	0.9
178.07739	1.1
179.08551	3.4
180.09349	0.9
181.10112	5.9
182.10706	0.9
183.08073	1.4
183.11636	4.0
185.09587	2.0
185.13287	2.2
187.11227	1.2
189.12740	1.3
191.07066	8.7
191.08583	1.3
191.10617	4.3
192.07402	5.0
192.09343	2.3
193.04977	2.3
193.10139	4.0
195.11646	5.7
197.09651	1.3
197.13289	3.0
199.11324	2.0
201.12732	1.4
203.08722	1.1
205.10181	2.2
206.10941	3.4
207.11624	3.6
208.12468	1.2
209.09424	1.1
209.13329	2.6
211.11182	1.3
211.14816	1.1
213.12686	1.2
217.12273	2.9
219.11690	1.5
219.13783	1.9
221.13283	4.9
223.11191	1.4
223.14865	1.9
225.12695	1.3
232.12445	1.3
233.13200	1.0
235.14986	1.1
237.12732	1.1
237.16423	1.6
239.14397	2.0
241.12256	1.4
243.13837	1.0
247.14969	2.1
249.12810	1.2
256.26337	4.9
257.26718	2.5
265.15894	3.2
267.13824	2.5
283.16965	3.8
293.15402	2.6
311.16434	8.5
312.16766	1.0
316.00800	1.0
317.01108	1.1
329.17435	9.1
335.02197	1.0
347.18622	1.2
389.19519	2.5
420.31189	2.1
421.07355	3.0
421.22400	7.9
421.31381	11.0
422.29129	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	421.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01858	0.8
55.05507	7.3
57.03420	0.6
57.07083	0.6
63.29523	0.6
64.92813	0.6
65.03933	1.9
66.04303	0.6
67.05511	4.6
69.03426	34.6
69.07064	1.2
69.33692	3.1
70.03772	0.6
71.04986	1.4
77.15430	0.5
79.05475	2.7
81.03419	5.5
81.07056	4.6
82.04869	0.5
83.04974	23.5
85.02917	1.0
85.06544	0.7
91.05476	7.2
93.07042	3.3
95.04971	4.6
95.08603	3.2
97.06522	1.2
99.04443	0.9
103.05455	0.8
103.96553	0.6
105.07022	8.6
107.08601	2.7
109.06544	1.1
111.04436	100.0
112.04768	1.7
113.05989	5.0
115.05453	1.4
117.07004	5.5
119.04905	0.7
119.08569	5.1
121.06496	2.2
121.10152	1.5
123.08060	0.9
125.05980	2.9
127.07549	1.1
128.06201	3.2
129.06999	3.7
130.07774	1.7
131.08543	5.7
133.06497	1.4
133.10120	2.4
135.08054	1.6
135.11644	1.1
141.07002	2.4
142.07773	2.5
143.07034	9.4
143.08543	6.9
144.09006	0.5
145.06497	0.9
145.10110	10.2
147.08028	2.0
151.07510	0.9
153.06955	1.7
154.07690	0.9
155.08543	5.7
156.09300	3.5
157.06551	0.7
157.10121	6.6
159.08031	1.4
159.11708	2.3
161.09604	1.0
163.11148	1.7
165.07008	2.2
165.09132	3.1
166.07764	1.6
167.08575	3.3
168.09311	1.8
169.10110	5.9
170.10831	0.7
171.08067	1.4
171.11702	9.4
173.09657	2.8
173.13237	7.0
175.11205	0.9
178.07716	1.3
179.08511	2.7
180.09366	2.1
181.10112	6.7
182.10860	1.0
183.07983	0.8
183.11632	4.4
185.09647	0.9
185.13277	1.4
187.11205	1.3
189.12759	1.1
191.08591	1.9
191.10643	4.1
191.14320	1.1
192.09322	1.7
193.10101	3.4
194.10912	1.3
195.11691	5.2
197.09648	1.4
197.11662	0.8
197.13281	3.5
199.11172	2.8
201.12772	2.3
203.14304	1.1
204.09406	0.7
205.10199	1.4
206.10846	3.6
207.11604	3.5
208.12451	0.8
209.09604	1.0
209.13213	2.5
211.11186	1.6
211.14830	1.7
213.12729	0.7
217.10196	1.2
217.12279	3.1
218.10756	1.0
219.11824	1.4
219.13809	2.5
220.12376	0.7
221.13205	5.7
222.13855	0.7
223.11227	1.4
223.14822	1.8
225.12724	1.1
231.11649	0.9
232.12553	1.1
233.13202	0.9
235.11055	0.7
237.12784	1.0
237.16359	1.6
239.14322	2.0
243.13791	1.8
247.14957	1.2
249.12756	1.6
251.14182	1.0
255.13780	0.6
255.17558	0.7
265.15817	3.5
267.13806	2.4
281.15359	0.8
283.16891	3.5
285.14847	1.2
293.15356	2.1
299.16257	1.0
301.17789	0.7
311.16379	8.4
312.16855	0.8
329.17432	11.4
347.18546	1.0
355.98236	0.8
360.01685	1.1
375.03943	2.0
389.19620	3.2
421.21997	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	421.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72193	0.7
53.03944	1.5
53.57487	0.6
55.01860	1.1
55.05264	0.7
55.05511	9.5
58.82153	0.6
59.04999	0.6
60.97693	0.7
65.03924	1.4
67.05494	6.3
69.03426	34.4
69.07068	1.6
69.16112	4.1
71.04973	1.2
79.05492	3.9
79.87986	0.7
81.03407	5.9
81.07049	4.2
83.04977	25.3
85.02898	1.6
85.06546	0.8
85.24590	0.6
89.31936	0.6
91.05480	7.1
93.07058	4.6
95.04970	4.6
95.08632	3.6
97.06525	2.1
99.50452	0.7
105.04521	0.7
105.07025	7.4
107.04975	0.8
107.08587	3.0
109.06501	2.4
109.10155	1.5
111.04435	100.0
112.04796	1.5
113.05993	5.8
113.90786	0.6
115.05464	1.4
117.07008	5.4
119.04958	1.2
119.08581	6.4
119.11650	0.7
121.02889	1.0
121.06507	1.7
121.10127	1.0
123.08055	1.3
125.05983	2.0
128.06213	2.6
129.07004	4.4
130.07768	1.8
131.08554	7.7
133.06467	1.8
133.10146	1.4
135.08102	0.9
137.05986	0.9
141.06946	3.3
142.07768	2.6
143.07036	9.0
143.08557	8.5
145.06480	1.4
145.10130	8.7
146.10474	1.0
147.08043	2.4
147.11679	1.1
149.09602	1.4
152.06187	0.8
153.06998	2.0
154.07736	1.0
155.08539	6.0
156.09364	3.5
157.06458	0.8
157.10106	8.4
158.10805	1.0
159.08099	1.2
159.11699	3.0
161.09682	1.5
163.11198	1.0
165.06993	2.4
165.09120	2.2
166.07884	0.8
167.08549	4.4
167.10695	1.1
168.09290	1.8
169.10109	7.0
170.10780	0.9
170.15176	0.6
171.08022	1.3
171.11682	7.9
173.09653	2.8
173.13269	7.5
175.11212	1.2
178.07893	0.9
179.08522	3.9
180.09296	1.4
181.10101	5.8
182.10812	1.7
183.08130	1.2
183.11662	4.2
185.09621	1.7
185.13289	1.8
187.11108	1.2
189.09155	0.9
191.08720	1.2
191.10684	4.6
192.09361	2.1
193.10159	4.0
193.11679	0.6
194.10706	0.8
195.11638	5.5
197.09622	1.5
197.13222	3.3
199.11182	2.7
199.14935	1.0
201.12746	2.3
202.07747	0.8
203.14275	0.8
205.10201	1.4
206.10851	3.8
207.11649	3.5
208.12425	1.0
209.09644	1.5
209.13231	3.1
211.11249	1.4
211.14813	1.4
213.09230	0.7
213.12785	1.3
215.14363	1.1
216.09212	0.7
217.10201	1.0
217.12268	2.5
218.10788	1.1
219.11809	1.3
219.13785	2.1
221.13245	6.4
222.13782	0.9
223.11148	1.5
223.14781	1.2
225.12840	1.4
232.12456	1.9
235.14816	0.8
237.12756	1.5
237.16409	1.7
239.14304	2.5
241.12242	1.4
243.13733	1.8
247.14815	2.0
249.12668	1.5
251.14432	1.2
253.15704	1.0
255.13835	1.0
263.14377	0.7
265.15799	4.2
267.13834	2.4
269.15054	0.7
269.98077	0.6
283.16858	4.3
285.14798	0.9
293.15298	1.8
311.16373	9.4
318.88766	0.7
329.17477	12.1
347.18515	1.5
361.19974	0.7
365.19742	0.7
389.19699	2.9
421.09543	0.8
421.14539	1.3
421.21924	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	421.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.05510	10.0
57.03433	1.0
65.03949	2.0
67.05497	5.8
69.03426	36.0
69.07063	1.5
69.10288	4.5
70.03741	0.8
71.04998	1.4
76.49035	0.7
79.05485	5.3
81.03414	6.2
81.07038	4.7
83.04976	29.6
85.02925	1.1
85.06544	1.0
88.56064	0.7
91.05473	8.0
93.07040	5.0
95.04982	4.8
95.08596	2.6
97.06525	2.6
98.23520	1.5
105.07014	9.6
107.04933	1.1
107.08580	3.0
109.06512	1.4
109.10129	1.4
111.04437	100.0
112.04735	1.9
113.05988	4.7
115.05418	1.5
116.06246	0.8
116.41954	0.8
117.07044	5.7
119.08588	4.8
121.06470	1.8
121.10103	1.6
123.08078	1.7
125.05968	2.6
127.01505	2.0
127.07584	1.1
128.06181	2.8
129.07004	4.3
130.07799	1.2
131.08562	7.8
133.06497	2.1
133.10083	1.6
135.08054	1.4
135.11673	1.2
141.06993	4.0
142.07750	2.6
143.07016	9.0
143.08563	7.9
145.06467	1.6
145.10123	11.8
147.08008	2.0
147.11676	1.3
153.06955	1.9
154.07823	0.9
155.05965	0.7
155.08574	6.1
156.09309	3.4
157.10098	8.0
159.08009	1.5
159.11664	2.6
161.09613	2.2
163.07509	1.0
163.11171	1.9
165.06990	2.6
165.09100	3.4
166.07800	2.1
167.08540	4.4
168.09268	1.8
169.10095	7.8
171.08011	1.5
171.11688	9.1
173.09604	3.7
173.13237	8.9
179.08524	3.5
180.09334	2.1
181.10103	6.8
182.10875	1.1
183.08067	1.6
183.11688	5.4
185.09648	2.0
185.13286	1.9
187.11169	1.0
189.12860	1.0
190.07951	0.7
191.08611	1.5
191.10655	5.1
192.09311	2.1
193.10052	4.5
194.10898	1.7
195.07996	1.0
195.11644	5.9
197.09590	2.1
197.13220	4.9
199.11174	2.4
201.12741	2.6
203.08539	1.4
205.10149	1.8
206.10880	4.0
207.11691	3.1
209.09602	1.0
209.13231	3.3
211.11009	1.2
211.14780	1.4
213.12639	1.4
215.14261	1.0
217.10223	1.4
217.12215	2.6
219.11554	2.2
219.13708	1.9
221.13249	6.5
223.11131	1.6
223.14807	2.2
225.12717	1.3
235.14798	0.8
237.12691	1.1
237.16362	1.8
239.14244	1.8
247.14946	2.0
249.12724	1.3
251.14435	0.9
265.16037	3.7
267.13751	2.9
275.14319	1.2
283.16928	4.1
285.14691	1.0
293.15384	1.7
299.16663	0.8
301.17865	1.2
311.16385	9.7
329.17465	9.9
347.18417	1.3
389.19458	2.8
421.21994	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	421.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01863	0.9
55.05506	7.6
60.82111	0.5
61.01852	0.6
62.52143	0.6
65.03920	1.3
67.05502	4.2
69.03427	33.3
69.07063	1.3
69.75282	2.1
71.04989	0.7
77.03921	1.0
79.05482	4.0
81.03418	5.2
81.07066	3.4
83.04978	27.9
85.02903	1.1
85.06536	1.0
89.14793	0.6
91.05476	5.6
93.07047	4.1
95.04962	3.5
95.08602	3.7
97.06521	2.5
105.07031	7.6
107.04935	0.8
107.08584	2.6
109.06506	1.7
109.10216	0.8
111.04439	100.0
112.04774	1.5
113.06000	5.7
115.05473	1.0
117.07029	6.0
119.04960	1.3
119.08577	5.3
121.06486	1.8
121.10130	1.4
123.07996	1.1
125.06039	2.9
127.07534	0.8
128.06223	3.0
129.06989	4.8
130.07785	1.5
131.08559	6.7
133.06479	1.3
133.10149	2.9
135.08009	1.8
135.11757	0.8
137.05952	0.7
141.06943	2.9
142.07751	2.2
143.07036	9.2
143.08553	7.7
145.06436	1.3
145.10127	10.9
147.08044	1.5
147.11670	1.3
149.09569	1.3
153.06992	1.4
154.07834	1.2
155.05975	0.8
155.08537	6.4
156.09349	4.3
157.10117	7.1
158.10852	1.2
159.08090	1.9
159.11708	3.5
161.09641	1.0
163.07568	0.9
163.11174	1.8
165.06979	3.0
165.09087	3.8
166.07791	1.5
167.08572	3.5
168.09341	2.4
169.10114	6.5
171.08044	0.7
171.11671	10.2
173.09625	2.6
173.13242	9.1
175.11201	0.7
178.07805	1.2
179.08548	3.3
180.09322	1.7
181.10115	6.4
182.10892	1.4
183.08076	1.6
183.11674	4.8
185.09561	1.9
185.13252	1.7
187.11127	0.9
189.12741	1.0
191.08607	1.8
191.10672	6.5
192.09351	1.9
193.10127	3.2
194.10957	1.0
195.08034	1.3
195.11710	4.4
197.09546	1.3
197.13278	3.8
199.11205	2.8
201.12733	2.5
203.08568	1.0
203.14325	0.9
205.10077	1.7
206.10872	3.1
207.11652	4.0
209.09547	0.7
209.13252	2.1
211.11171	1.4
211.14835	1.1
213.12764	1.6
216.09428	0.9
217.10323	1.2
217.12265	3.2
218.10875	1.1
219.11740	1.2
219.13794	2.7
220.12418	0.9
221.13257	6.0
223.02000	0.6
223.11156	0.9
223.14851	1.5
225.12708	1.4
231.11839	0.8
232.12413	0.7
233.13319	0.6
235.14960	1.0
237.12766	1.4
237.16452	2.4
239.14276	3.1
241.12260	1.2
243.13907	0.9
247.14888	2.3
249.12755	1.4
251.14314	0.8
255.13782	0.9
259.12949	0.6
265.15866	2.7
267.13797	2.4
275.14267	0.6
281.15335	1.0
283.16870	5.1
285.14749	1.8
293.15338	1.7
301.18134	0.8
311.16415	8.6
329.17474	11.0
347.18326	1.6
389.19736	3.7
421.12900	3.1
421.21997	6.8
422.22403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99062	1.1
53.03969	1.4
54.41532	1.1
55.01876	1.4
55.05509	9.3
57.07076	1.9
65.03939	2.4
67.05489	6.0
69.03426	33.1
69.07085	1.1
69.25047	6.4
70.06596	3.9
71.04996	1.7
71.08677	1.1
79.05485	3.4
81.03413	4.5
81.07047	3.9
83.04979	23.6
85.02891	1.1
88.07616	3.6
89.25170	1.0
91.05484	5.8
93.07058	2.6
95.04963	3.8
95.08604	2.3
97.06542	2.6
102.09177	4.5
103.05468	3.5
103.68896	1.0
105.07036	8.7
107.04955	1.4
107.08616	4.2
109.06521	3.0
111.04436	100.0
112.04733	1.8
113.05988	5.5
115.05419	2.3
117.07007	4.7
119.08601	4.8
121.10201	2.2
125.06005	3.2
128.06198	2.5
129.07027	4.7
130.07813	2.0
131.04930	5.0
131.08530	5.8
133.10094	1.4
135.08093	1.3
141.07034	1.5
142.07823	1.4
143.07040	8.9
143.08508	6.5
144.90877	1.0
145.06509	1.4
145.10120	12.2
147.04411	1.7
147.08017	1.5
147.11748	1.3
149.02341	9.6
149.03456	1.8
153.06967	1.3
154.01256	1.1
154.07788	1.6
155.08543	5.1
156.09367	3.8
157.10112	7.3
157.46222	1.0
159.08040	1.4
159.11717	3.0
165.07011	3.3
165.09114	1.6
167.08569	3.6
168.09344	1.7
169.10094	6.1
171.11656	8.4
173.09683	2.9
173.13290	8.4
175.03915	2.4
175.11197	1.4
178.01350	1.8
178.07779	1.3
179.01738	1.3
179.08524	3.5
180.09354	2.0
181.10124	5.3
182.10835	1.5
183.11690	4.2
185.13268	1.7
191.10652	3.7
192.09279	2.2
193.04942	12.0
193.10165	4.0
195.11693	5.6
196.02406	2.1
197.02711	1.5
197.13286	4.6
199.11208	3.0
205.10031	1.2
206.10878	3.8
207.11497	2.1
209.09610	1.4
209.13193	3.2
211.11157	1.4
217.10182	1.6
217.12276	3.4
219.06561	4.0
219.11783	1.5
219.13768	2.6
220.06921	3.8
221.13272	7.1
223.14929	1.2
224.01929	2.2
225.02194	1.4
225.12718	2.0
228.23235	2.5
229.23561	3.5
237.16449	1.8
239.14323	2.3
247.14864	2.1
256.26279	7.4
262.98160	1.8
265.15939	2.4
267.13788	3.3
283.16852	3.2
286.03491	2.6
293.15219	1.8
311.16345	10.8
316.00925	2.2
317.01508	5.7
318.06085	1.6
329.17401	9.7
338.96725	1.4
347.18448	1.3
389.19595	2.5
403.06229	2.3
421.07333	5.3
421.17282	1.4
421.22144	6.3
421.27921	7.6
422.12866	5.8
422.29019	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	421.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28501	0.4
55.05508	1.2
57.07071	8.3
59.04990	1.2
69.03455	0.4
69.07049	0.7
69.56800	1.2
69.57213	0.8
71.04999	0.4
71.08624	7.0
72.08152	3.2
79.05479	1.1
81.07054	1.2
83.08642	0.5
85.10188	3.2
85.56646	0.4
85.82656	0.4
87.04457	0.6
89.06023	14.8
90.28885	0.4
91.05488	0.6
93.07032	1.2
95.04958	0.7
95.08602	1.4
97.10101	0.4
98.23536	0.4
103.07584	0.9
105.07027	8.2
107.07059	0.4
107.08556	0.6
109.10219	0.6
119.08540	0.5
121.06509	0.6
121.10140	0.5
132.74382	0.5
133.08594	7.8
133.10164	0.9
135.07991	0.6
140.10696	1.8
145.10063	0.6
151.09669	0.7
157.13416	1.2
177.11229	1.4
177.12648	0.5
195.12206	0.5
197.11719	2.2
199.39658	0.4
239.14839	3.3
304.26385	0.5
341.26587	100.0
342.26968	6.2
362.30392	1.1
421.29691	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84471	1.2
55.01870	9.3
55.05506	23.7
57.03229	1.2
57.03438	14.3
57.07068	13.4
58.09682	1.5
64.53445	1.2
65.03924	1.5
67.05495	36.8
69.03413	2.5
69.07063	39.3
71.04981	4.1
71.08619	3.0
78.03452	2.3
79.05485	23.8
81.07047	43.0
83.04980	5.9
83.08600	9.6
85.06531	10.3
91.05463	16.9
93.07040	34.5
95.04963	7.7
95.08599	32.2
97.06515	9.4
97.10154	2.2
99.08118	2.6
105.07024	17.0
106.02904	6.5
107.03252	2.4
107.05040	1.6
107.08584	28.9
109.06509	22.3
109.10140	15.5
110.10484	1.4
111.04442	8.3
111.08065	7.5
111.11697	1.8
117.07011	2.1
119.08571	13.1
121.06533	2.9
121.10118	12.6
123.08054	18.4
123.11727	5.5
124.03983	3.2
125.05949	9.8
125.09717	1.6
125.48429	1.4
131.08595	5.8
133.10085	9.7
135.08043	57.0
135.11678	21.7
137.05960	19.6
137.09619	3.9
137.13246	2.3
143.08537	3.4
145.10095	8.0
147.11667	7.8
149.09631	8.6
149.13284	3.4
151.07555	9.8
151.11143	3.1
153.12700	6.9
157.10114	2.0
159.11708	3.8
161.09601	7.1
161.13261	3.9
163.11191	5.3
163.14810	1.9
165.12778	5.2
167.14374	2.3
171.11676	2.4
173.13225	2.3
175.11111	3.7
177.12747	16.5
179.14337	5.6
181.12253	9.4
187.14853	1.7
191.14288	3.2
193.12254	2.6
203.14268	1.8
204.65033	1.8
205.15833	2.6
217.14314	3.3
221.18968	4.3
235.20616	5.2
263.20029	5.0
287.23615	2.5
291.19431	2.6
301.25229	4.9
303.26843	2.5
305.24710	90.8
306.25098	4.9
309.01346	1.7
319.26276	30.5
320.26743	1.7
329.24716	14.6
337.27429	3.2
347.25772	100.0
348.26120	6.7
363.19354	3.3
365.07748	1.8
365.26935	11.7
393.15305	1.7
393.29562	6.8
403.28458	4.9
421.23929	8.8
421.29507	79.8
422.29779	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	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.2
55.05506	6.7
57.03425	4.5
57.07075	10.5
67.05494	12.6
68.23264	2.0
69.07058	8.5
71.04974	1.7
79.05483	8.3
81.07054	12.8
83.04991	2.7
83.08624	3.4
85.06540	3.3
91.05473	8.2
93.07018	12.8
95.04980	3.3
95.08611	12.3
97.06525	3.0
97.80351	1.8
105.07011	12.0
107.08576	9.1
107.37903	1.7
109.06493	12.9
109.10155	3.2
119.07809	1.9
119.08595	8.2
121.06503	2.4
121.10133	7.0
123.08055	8.0
123.11751	2.7
131.08575	4.1
133.10149	5.6
135.08043	93.9
135.11708	3.5
137.05992	4.1
143.08542	2.2
145.10120	5.1
147.11670	4.1
149.09612	8.2
159.11664	4.8
161.09586	7.2
163.11174	2.9
171.11714	2.4
177.12740	26.3
179.14238	4.1
185.13100	1.8
189.12856	1.8
191.14339	3.7
203.14322	2.2
205.15915	2.3
329.24750	19.7
330.24890	2.7
341.26660	19.9
347.25806	19.1
393.29831	2.1
421.29449	100.0
422.29745	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.3
55.05503	6.3
57.03430	6.6
57.07071	18.4
65.99363	1.1
67.05492	8.4
69.03429	2.6
69.07067	9.5
70.06603	1.0
71.04987	1.9
71.08611	1.6
71.43623	1.3
79.05489	11.2
81.07056	17.6
83.04977	3.7
83.08601	2.5
85.06525	9.3
91.05476	10.3
93.07044	12.2
95.04967	2.2
95.08591	10.8
97.06526	5.0
97.10153	1.3
104.99281	2.3
105.07023	9.5
107.08581	12.5
109.05756	1.9
109.06494	15.6
109.10162	5.0
111.04430	3.4
111.08088	2.2
115.05437	1.0
117.07017	2.9
119.08561	10.4
121.06503	1.3
121.10099	7.1
123.08065	9.4
123.11701	3.0
125.05985	1.8
126.39957	1.0
128.32018	1.0
129.07028	1.1
131.06647	1.0
131.08589	2.7
131.66458	1.0
133.10144	5.7
135.08041	77.9
135.11691	3.5
136.08383	2.2
137.05968	12.8
137.09607	1.2
139.07539	1.7
143.08560	2.2
145.10110	4.5
147.08054	2.1
147.11673	4.3
148.08836	1.4
149.09621	7.3
149.13242	1.7
151.07549	4.6
151.11151	1.6
157.10150	2.4
159.11685	3.1
161.09630	8.1
161.13271	1.9
163.11177	3.0
165.09117	1.2
165.12730	5.2
171.11700	1.2
173.13266	1.8
175.11201	2.4
177.12729	19.5
179.14290	3.6
185.13309	2.0
191.14325	3.6
193.12309	1.2
202.92711	1.1
203.14334	2.6
205.15901	3.1
207.13768	4.8
231.17410	1.2
233.18977	1.6
263.20068	4.7
291.19623	2.0
301.25366	2.9
319.26288	7.7
329.24713	15.5
337.27414	3.2
338.96530	1.9
347.25778	50.6
348.26144	2.8
365.26797	10.2
366.27609	1.3
390.72565	1.3
393.29855	7.2
403.28168	2.4
421.29465	100.0
422.29639	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	421.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.3
55.05510	6.4
57.03431	3.4
57.07069	5.3
67.05496	10.7
69.03407	2.2
69.07066	9.4
69.88375	2.1
69.88707	2.8
79.05479	8.9
81.07057	14.4
83.04973	4.4
83.08610	2.8
85.06535	4.2
91.05482	8.3
93.07039	12.1
95.04953	3.0
95.08594	9.2
97.06520	4.2
104.99294	1.4
105.07026	8.5
107.08595	11.0
109.06522	10.2
109.10153	5.2
111.08112	1.8
117.06992	1.8
119.08585	8.6
121.06454	1.6
121.10153	5.4
123.08054	7.6
123.11716	2.1
124.03986	1.2
131.08574	3.1
131.44119	1.4
133.06459	1.4
133.10132	5.4
135.08046	92.1
135.11681	5.5
136.08354	2.2
137.05986	3.6
137.09566	1.8
137.13281	1.2
143.08572	1.9
145.10117	4.8
147.04385	1.6
147.11676	2.5
148.08818	1.9
149.09630	9.3
149.13202	1.4
151.07539	2.0
159.11659	2.4
161.09593	8.1
161.13243	1.7
163.11150	2.0
165.12775	2.2
171.11642	1.6
175.11177	2.8
177.12735	24.2
178.13220	1.5
179.14293	2.8
191.14304	4.4
203.14278	2.8
205.15851	3.3
291.19385	1.7
292.98459	1.6
301.25201	2.2
305.24780	6.7
319.26273	3.0
329.24750	18.5
338.96881	2.2
339.19104	3.7
347.25775	25.9
363.19186	2.4
365.26965	3.0
393.30069	1.8
403.28183	1.6
421.24405	3.6
421.29449	100.0
422.29688	7.7
429.12463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31606	0.8
52.16017	0.7
53.03959	1.0
55.01847	0.8
58.06565	1.0
67.05508	1.5
69.03421	2.9
69.07057	1.6
70.06617	0.7
79.05473	1.7
81.03411	10.3
81.07054	1.6
83.04974	0.9
85.02900	1.5
86.09678	1.0
86.84658	0.7
91.05482	2.8
93.07044	0.9
95.04971	2.7
95.08605	1.7
97.02861	1.5
97.06566	0.9
99.04454	1.4
105.07030	2.9
107.04945	10.6
107.08617	1.5
109.02871	2.3
109.06490	1.0
111.08038	1.2
117.07018	1.5
121.02866	2.1
121.06499	0.9
123.08076	2.2
124.08437	1.3
125.05892	1.1
127.03934	2.2
131.08559	2.0
135.04430	1.3
135.08041	21.4
145.06497	1.1
145.10086	1.3
147.04413	1.4
148.04750	1.8
156.08096	1.5
157.10057	1.1
161.09590	1.2
163.07532	40.6
173.13283	4.0
183.11734	0.9
185.05740	3.9
189.12726	1.4
189.33160	0.8
191.10719	0.9
219.02837	6.4
219.13812	1.5
220.09740	1.6
233.57671	0.9
242.07864	2.3
244.09386	3.9
247.06007	1.7
248.06413	3.2
260.08890	4.1
265.07047	1.9
266.07498	2.4
283.07831	0.9
311.91385	0.9
362.12195	0.9
368.11874	2.2
379.11346	1.3
390.26236	1.0
405.09366	1.1
422.14185	100.0
422.29019	4.6
423.09750	6.9
423.14716	4.6
423.20401	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1419
Annotation	909910-43-6
Peak:m/z	Relative Intensity
52.48213	0.4
55.01895	0.4
61.07743	0.4
69.77275	0.4
70.06573	0.4
70.38487	1.1
81.03412	1.0
86.09686	0.5
91.05466	0.6
95.04954	1.6
95.08516	0.6
107.04249	0.8
107.04952	10.8
107.05677	0.7
107.08612	0.4
117.06948	0.6
121.02880	1.1
123.08070	0.5
124.03963	0.7
130.07201	0.4
135.04393	0.5
135.08052	20.0
138.01849	0.8
145.06505	1.1
147.04420	0.6
151.03920	1.8
152.04251	1.0
157.07799	0.5
163.07536	40.5
164.07857	1.2
166.01364	1.3
166.50470	0.4
185.05737	4.0
186.06461	0.5
198.97011	0.4
203.05193	0.5
219.02866	3.0
220.09695	1.9
242.07803	2.6
244.09383	3.2
246.90628	0.4
260.08923	4.4
268.07971	0.6
286.07175	1.6
301.99698	0.5
302.10052	0.7
308.52786	0.4
362.12042	0.9
381.25201	0.5
422.14194	100.0
423.14761	5.5
423.20377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10531	0.4
55.01839	0.5
57.95893	0.5
60.71862	0.5
62.40871	0.5
65.03950	1.0
67.05497	1.1
70.06591	0.6
70.70865	0.8
81.03398	0.7
85.02900	0.9
89.49449	0.5
93.03436	0.5
95.04967	0.8
97.02863	0.5
100.07513	0.5
107.04931	1.1
108.02101	0.8
110.06012	2.4
111.04419	1.2
116.29758	0.5
131.04919	0.6
134.76883	0.5
141.05438	1.8
151.03899	100.0
151.04944	5.5
152.04195	2.4
169.04979	0.6
174.09132	7.1
295.08121	0.7
313.09146	20.4
314.09512	1.6
365.53577	0.6
422.14694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.4
59.02671	4.2
59.83463	4.2
61.93628	4.7
67.05497	9.6
69.03414	6.3
69.15538	29.4
72.20905	4.2
79.05478	15.2
80.41444	4.3
81.07029	9.4
85.02892	8.8
86.09702	4.3
91.05473	10.3
93.07040	4.7
95.04970	8.6
97.06529	5.8
99.04456	7.3
105.07037	8.1
107.04965	28.3
107.08560	6.0
109.10130	26.8
110.77970	5.0
119.08570	12.1
121.02843	15.9
124.43009	4.3
129.07004	5.0
133.10124	14.4
137.09604	46.4
143.08566	10.1
145.10068	6.4
147.04414	8.1
147.08046	19.0
161.09624	100.0
165.09120	90.2
166.98344	4.1
179.10686	10.2
185.05673	5.2
189.09056	12.5
191.16438	5.1
207.10153	99.7
225.11198	36.9
267.96820	4.3
279.59818	4.3
379.11151	10.0
405.09232	12.3
422.14697	8.2
423.10495	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.3
57.07061	1.9
67.05505	18.2
69.07066	5.8
69.74681	1.7
70.82777	1.8
71.43679	1.9
72.04484	2.7
76.30396	2.1
79.05488	7.8
81.07051	27.9
83.08624	3.7
91.05467	13.0
93.07043	19.2
95.04984	2.7
95.08601	28.1
97.02882	2.5
105.07024	40.0
107.08597	14.7
109.06536	3.5
109.10149	17.5
111.04427	4.1
117.07008	5.3
119.08581	22.0
121.06493	2.8
121.10168	13.2
121.10944	2.6
123.08054	5.1
123.11691	21.2
124.03954	3.1
124.12012	2.2
125.05939	2.7
129.07050	2.9
131.08578	9.9
133.10120	100.0
134.10446	3.6
134.23422	1.9
135.08038	6.2
135.11679	8.3
137.09659	1.8
137.13231	3.5
139.07523	4.1
143.08546	5.8
145.10109	15.2
147.11696	15.3
149.05995	3.0
149.09586	2.3
149.13245	2.7
151.07489	2.4
151.11131	6.3
155.08551	3.5
157.10110	7.6
159.11693	13.4
161.09586	4.9
161.13234	10.2
163.07596	2.4
165.09131	2.9
167.10724	4.8
169.10109	6.9
171.11684	5.7
173.09595	4.3
173.13261	5.5
175.11208	2.1
175.14818	2.6
179.10706	2.2
179.14352	2.6
183.11653	6.0
185.09566	3.3
185.13239	5.0
187.07507	2.2
187.11183	5.8
193.05107	2.5
193.12175	2.5
197.13277	7.9
199.14743	4.4
201.12764	2.0
201.16373	7.4
205.12274	4.5
211.14726	2.7
213.16374	2.4
215.17963	3.2
217.12289	2.2
219.13977	2.2
229.12251	5.0
239.17860	5.1
242.65668	2.3
243.13762	3.3
245.15402	2.4
253.19508	6.3
255.21062	2.0
257.15329	6.7
261.18500	4.3
271.20364	3.2
275.20041	8.9
281.18991	8.1
299.20029	65.9
300.20233	4.6
306.25171	2.2
308.41403	1.8
317.21091	46.9
318.21466	2.4
422.29095	4.0
423.26871	6.9
423.31827	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	422.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74340	16.8
67.05510	48.4
69.03423	23.2
79.05511	15.8
81.07053	67.5
81.16199	17.7
83.18266	17.7
93.07082	21.7
106.02895	40.6
107.08652	21.0
111.04430	34.7
121.10147	23.3
124.03962	71.4
126.26109	16.6
131.08597	22.7
140.68277	18.1
177.12778	28.0
268.91211	18.5
269.17609	100.0
336.78558	18.9
350.88315	18.0
404.56134	18.3
422.19553	31.7
423.23529	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74340	16.8
67.05510	48.4
69.03423	23.2
79.05511	15.8
81.07053	67.5
81.16199	17.7
83.18266	17.7
93.07082	21.7
106.02895	40.6
107.08652	21.0
111.04430	34.7
121.10147	23.3
124.03962	71.4
126.26109	16.6
131.08597	22.7
140.68277	18.1
177.12778	28.0
268.91211	18.5
269.17609	100.0
336.78558	18.9
350.88315	18.0
404.56134	18.3
422.19553	31.7
423.23529	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	54.3
69.07058	38.3
70.68472	20.7
71.69786	20.1
79.05485	31.1
81.07042	66.9
83.04974	65.7
83.08568	25.1
86.40398	15.3
87.32929	20.2
91.05481	28.0
93.07011	38.6
95.04989	19.7
95.08591	66.6
98.43612	16.7
102.57974	16.4
105.07042	22.2
107.08571	59.6
109.06463	28.2
109.10144	46.4
118.42659	18.6
119.08510	29.6
121.10107	32.1
123.08035	37.8
124.03977	32.5
145.10028	20.7
147.11653	22.6
149.06042	29.9
179.14282	53.1
190.51016	15.5
195.68387	17.9
199.78658	19.8
329.28568	22.1
330.25003	28.1
331.26266	33.9
422.29718	42.0
422.35742	100.0
423.30927	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	423.0901
Annotation	Mangiferin
Peak:m/z	Relative Intensity
63.74260	2.7
69.73945	6.0
69.74323	5.2
75.73479	2.7
81.47618	3.6
83.57728	2.7
98.23451	6.0
114.36456	3.0
203.05563	3.1
261.03705	4.3
272.01575	3.2
423.08984	100.0
423.14169	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	423.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06771	1.1
70.06592	1.2
70.35642	3.0
72.04487	1.6
86.09701	1.4
89.06021	1.8
95.06085	1.7
111.04488	1.2
120.08095	1.8
121.02886	3.0
147.04425	1.6
157.14211	1.1
163.75284	1.0
165.21698	1.1
175.03673	4.5
184.99049	1.7
185.04225	2.0
197.24396	1.0
206.78787	1.4
211.33252	1.0
227.05240	5.0
271.04218	7.2
334.04507	3.6
337.08923	3.8
361.10086	2.0
379.10056	42.2
380.11020	1.8
388.48920	1.5
405.09406	7.1
423.09631	100.0
423.16193	7.1
424.10156	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	423.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45891	0.1
51.02367	0.1
53.03942	1.3
55.01864	0.4
55.05479	0.1
57.03431	0.5
59.04977	0.1
61.02921	0.5
63.02384	0.1
65.03887	0.1
67.01870	0.1
67.05511	0.1
68.10236	0.1
68.99791	0.1
69.03426	5.7
70.01873	0.2
70.06586	0.3
71.04990	0.4
72.08154	0.4
73.02908	0.6
79.05482	0.3
81.03413	8.1
81.07039	0.1
82.03739	0.2
83.01334	0.1
84.04520	0.1
84.08134	0.2
84.92735	0.1
85.02902	3.0
86.09697	0.2
87.04460	0.4
89.03907	0.8
91.05466	0.1
95.04960	0.2
97.02890	2.7
98.03231	0.1
98.22816	0.1
99.04452	1.2
101.02351	0.1
103.03938	0.1
105.07025	0.1
107.04943	0.3
109.02872	4.7
110.03193	0.1
110.07057	0.1
111.04436	0.2
115.03894	0.1
117.03363	0.9
119.08562	0.1
120.08058	0.1
121.02845	0.2
123.07977	0.1
125.45261	0.1
127.03905	3.4
129.10240	0.1
131.08543	0.1
135.04407	9.9
136.04729	0.3
139.03874	0.1
145.02831	1.0
145.03954	0.1
145.04933	0.8
145.10097	0.1
147.04462	0.1
147.92354	0.1
149.02342	0.6
153.01819	0.5
161.02293	0.1
163.03891	8.0
164.04172	0.4
167.03453	0.1
167.31461	0.1
171.11687	0.1
173.02327	3.0
173.03757	0.2
173.13324	0.1
174.02740	0.2
177.01801	0.3
185.13292	0.1
187.06013	3.1
188.06311	0.1
189.01816	0.4
191.03375	8.7
192.03758	0.4
194.02087	0.3
195.02914	0.2
201.01807	1.8
202.02155	0.1
207.02919	0.5
217.04964	0.1
219.02866	100.0
220.03207	4.1
241.04805	0.1
287.05304	0.1
303.04803	0.1
305.06125	0.4
327.04953	0.1
379.11322	0.2
405.09113	0.1
423.10056	1.2
423.19971	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	423.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41217	0.8
53.66029	0.8
69.21802	5.2
75.23038	0.8
77.69634	0.7
89.06030	1.7
91.81104	0.8
146.40396	0.8
153.68637	0.8
158.61891	1.0
169.15944	0.9
207.31546	1.4
241.94469	0.9
267.09985	1.1
305.07593	1.9
335.08899	4.0
361.10422	4.8
379.11490	36.9
380.11899	3.5
405.09436	9.4
423.10480	100.0
424.10916	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	423.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70633	0.9
70.70970	1.2
80.66131	0.8
92.22650	0.9
104.80483	1.0
120.08086	1.4
121.02859	2.0
147.04491	1.0
181.14197	1.0
267.10202	2.2
305.07886	5.4
335.08929	3.9
361.10352	2.1
363.18207	1.0
379.11469	95.7
380.11734	6.4
405.09311	5.9
406.09692	1.1
423.10477	100.0
424.10974	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	423.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12585	0.6
69.03436	1.4
69.35326	1.3
69.35739	2.4
79.31612	0.7
81.07046	2.1
84.87297	0.7
85.02913	1.4
86.09702	1.7
91.05533	0.7
93.92553	0.7
95.08647	0.9
97.02898	0.9
101.05882	0.8
112.37638	0.7
120.08153	1.1
121.02860	1.2
127.03895	1.1
129.66286	0.7
163.03929	1.2
167.31889	0.8
170.92883	0.6
205.64658	0.6
219.02762	3.5
229.02513	1.0
230.35472	0.8
261.07416	4.5
263.17212	1.1
267.10129	3.1
279.03226	0.6
279.06335	2.7
289.04691	0.8
305.07959	3.1
334.20911	0.9
335.08884	10.0
349.06891	2.5
361.10471	10.5
379.11481	63.3
380.11932	5.1
395.08926	3.0
405.09421	4.9
406.19284	1.6
415.41843	0.7
423.10480	100.0
423.20520	4.0
423.21414	3.8
424.10803	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	423.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	4.0
69.12148	1.2
69.44567	3.3
69.44956	3.5
70.06572	8.5
84.04495	2.3
84.08141	11.3
90.85573	1.5
101.46493	1.5
110.07136	4.2
120.08098	10.6
127.08655	1.7
127.19594	1.4
129.10201	3.7
145.06071	1.6
156.07637	4.2
163.03899	1.7
166.08580	1.6
168.88036	2.0
202.15999	1.4
219.02823	4.5
219.91847	1.5
227.06772	1.5
228.27231	1.5
241.05402	1.6
245.08145	4.3
246.08476	3.4
260.84717	1.4
276.07553	3.3
339.04889	1.4
405.21515	1.6
422.71814	2.2
423.12555	100.0
424.12784	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	423.1287
Annotation	Fortuneanoside K
Peak:m/z	Relative Intensity
50.02262	0.6
56.18250	0.7
58.88641	0.7
68.99784	0.9
69.03418	1.5
69.39087	3.6
70.06596	3.4
71.01354	6.6
72.08147	1.1
75.90007	0.7
78.05722	0.7
85.02902	2.1
90.49245	0.7
91.05435	1.7
95.01311	0.7
98.23441	1.4
101.01124	0.8
103.05453	2.5
105.03404	2.0
113.02367	4.0
130.16350	0.7
131.04993	3.6
147.04398	2.9
165.07056	0.7
197.05931	4.4
204.08543	0.8
207.02887	1.1
215.07027	100.0
216.07433	3.7
228.06537	0.8
231.06380	0.8
243.06596	5.5
252.22185	0.7
257.01923	2.3
261.07574	39.3
262.07837	1.5
284.05475	1.8
301.08167	1.1
340.11774	1.7
385.48053	0.8
391.05499	1.3
405.14395	1.3
423.08426	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03955	0.6
53.76676	0.6
54.12127	0.5
55.01862	0.7
57.07080	3.4
58.06578	1.0
65.03919	2.0
66.62569	0.6
68.99780	2.9
69.21349	0.6
69.40140	3.2
70.06598	7.7
71.08627	0.7
83.97661	0.6
85.10230	0.6
88.07621	8.7
89.07949	0.9
91.05480	7.2
95.04958	1.8
102.09174	7.1
103.05464	35.6
104.05810	1.1
105.03392	2.4
105.04483	0.8
105.07008	3.8
110.53310	0.7
112.33018	0.6
115.05450	6.0
117.06176	1.3
117.07011	22.6
118.07346	1.1
121.02817	0.7
128.06223	1.2
129.07004	3.5
131.04921	100.0
132.05238	3.6
139.05389	1.1
141.01874	0.7
141.07016	4.2
143.04922	1.0
145.02827	0.7
145.06480	8.3
149.02342	34.8
149.03447	2.8
150.02687	7.2
155.04903	4.3
155.06046	1.9
157.06473	1.4
167.04929	2.2
169.06482	4.7
171.04350	0.6
173.05975	14.6
181.06538	1.3
183.04401	5.5
185.05978	2.6
187.07550	0.8
191.07050	2.3
193.04962	38.1
194.05330	9.0
195.04416	1.9
197.05882	3.4
201.05464	2.9
203.07042	2.8
207.04424	2.1
213.05457	3.8
215.07024	2.0
223.04008	1.0
225.05504	2.7
229.08528	1.0
231.06413	3.3
241.04930	4.7
252.09319	0.8
253.10194	1.1
255.06470	1.4
256.26337	18.5
257.08154	1.0
257.26657	7.0
259.06091	1.7
269.04489	2.5
281.09534	0.8
283.11166	1.4
285.09012	0.8
287.05530	1.8
289.11987	1.0
299.10666	1.0
301.07150	2.1
311.10684	2.5
317.11789	2.1
319.08136	2.2
327.10083	4.1
331.09604	0.9
343.13455	1.5
345.11124	1.4
354.05783	0.7
355.09625	3.6
363.12314	2.9
373.10715	2.3
387.12576	0.8
405.13470	1.9
422.28970	27.8
423.14240	2.7
423.23593	1.4
423.29330	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03955	0.6
53.76676	0.6
54.12127	0.5
55.01862	0.7
57.07080	3.4
58.06578	1.0
65.03919	2.0
66.62569	0.6
68.99780	2.9
69.21349	0.6
69.40140	3.2
70.06598	7.7
71.08627	0.7
83.97661	0.6
85.10230	0.6
88.07621	8.7
89.07949	0.9
91.05480	7.2
95.04958	1.8
102.09174	7.1
103.05464	35.6
104.05810	1.1
105.03392	2.4
105.04483	0.8
105.07008	3.8
110.53310	0.7
112.33018	0.6
115.05450	6.0
117.06176	1.3
117.07011	22.6
118.07346	1.1
121.02817	0.7
128.06223	1.2
129.07004	3.5
131.04921	100.0
132.05238	3.6
139.05389	1.1
141.01874	0.7
141.07016	4.2
143.04922	1.0
145.02827	0.7
145.06480	8.3
149.02342	34.8
149.03447	2.8
150.02687	7.2
155.04903	4.3
155.06046	1.9
157.06473	1.4
167.04929	2.2
169.06482	4.7
171.04350	0.6
173.05975	14.6
181.06538	1.3
183.04401	5.5
185.05978	2.6
187.07550	0.8
191.07050	2.3
193.04962	38.1
194.05330	9.0
195.04416	1.9
197.05882	3.4
201.05464	2.9
203.07042	2.8
207.04424	2.1
213.05457	3.8
215.07024	2.0
223.04008	1.0
225.05504	2.7
229.08528	1.0
231.06413	3.3
241.04930	4.7
252.09319	0.8
253.10194	1.1
255.06470	1.4
256.26337	18.5
257.08154	1.0
257.26657	7.0
259.06091	1.7
269.04489	2.5
281.09534	0.8
283.11166	1.4
285.09012	0.8
287.05530	1.8
289.11987	1.0
299.10666	1.0
301.07150	2.1
311.10684	2.5
317.11789	2.1
319.08136	2.2
327.10083	4.1
331.09604	0.9
343.13455	1.5
345.11124	1.4
354.05783	0.7
355.09625	3.6
363.12314	2.9
373.10715	2.3
387.12576	0.8
405.13470	1.9
422.28970	27.8
423.14240	2.7
423.23593	1.4
423.29330	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31676	0.2
54.05040	0.3
57.15614	0.2
58.71864	0.2
63.02363	0.4
63.30012	0.3
63.96812	0.3
72.10336	0.2
80.40514	0.2
81.84669	0.3
89.03912	6.1
91.05463	0.8
101.02014	0.3
103.56817	0.3
104.04963	0.7
113.03992	0.5
116.04974	60.6
117.05183	0.7
117.05755	1.9
118.06532	1.1
119.04931	0.5
123.03565	0.5
128.05603	0.2
132.04445	7.2
133.05243	0.3
134.06010	11.9
143.02974	0.4
145.02592	39.7
145.08888	1.3
146.02925	1.2
146.05980	0.8
146.09619	1.1
147.06787	0.9
148.07541	0.9
157.07628	1.0
161.04724	1.5
162.09108	1.2
163.03667	1.6
173.03221	10.1
176.10745	0.6
186.05247	100.0
187.05589	2.9
192.06551	9.2
192.08272	0.5
220.09685	16.8
221.10001	0.6
224.14902	0.3
273.57846	0.3
423.15305	0.3
423.30518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
55.01868	1.8
61.01146	10.4
69.03426	6.9
69.94196	2.6
69.94530	3.2
70.06591	2.4
72.04515	13.7
72.08143	3.8
73.02901	2.3
78.03782	19.3
81.03440	8.0
83.04973	3.5
84.64088	1.7
85.02908	9.5
86.06048	2.2
86.09704	1.5
88.02206	6.3
95.04935	1.8
97.02896	2.6
98.02398	2.6
99.04459	9.2
99.05564	5.1
102.03765	28.9
103.02143	2.3
103.03947	19.8
103.14379	1.5
104.01624	1.7
109.02885	6.0
112.43936	1.4
113.05995	2.3
114.03770	3.5
117.70815	1.5
120.04804	6.2
120.08099	4.3
124.07623	2.1
126.05516	23.5
127.03909	9.6
127.05859	1.5
131.06367	12.8
132.04773	15.8
134.83641	1.5
135.04401	7.6
136.07610	2.0
142.08627	6.4
149.07425	60.1
150.07733	2.1
150.43614	1.6
154.08624	2.7
159.05855	3.4
163.03897	5.3
173.02345	3.1
175.05307	4.4
180.06551	14.9
184.09729	3.7
185.14551	1.4
191.03435	6.9
198.07558	3.3
216.08620	2.1
219.02870	75.9
220.03183	2.7
231.11646	4.9
261.12695	4.9
275.10550	5.2
293.11633	100.0
294.11880	4.6
379.10248	7.4
405.12216	2.8
405.16940	34.5
406.17087	2.5
423.08734	15.8
423.16025	2.9
424.09564	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	423.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42139	0.3
53.84461	0.4
55.01864	0.4
56.05017	0.8
58.06583	0.6
66.74942	0.4
67.05484	0.6
67.90095	0.3
68.04991	0.6
68.99780	1.1
70.06586	16.0
71.43037	0.5
77.03926	0.4
79.05467	0.5
82.06546	0.6
88.07603	1.2
91.05462	1.2
93.07018	0.6
95.04946	2.2
96.08129	2.9
100.07583	0.6
103.05457	6.6
105.03377	2.5
105.07021	0.7
107.04933	0.4
107.08540	0.4
109.06514	0.8
110.09674	3.0
131.04912	27.4
132.05222	0.7
135.04404	0.5
136.07573	0.6
137.05988	1.8
140.07031	2.8
149.02299	0.5
149.05986	0.6
162.28030	0.4
163.00198	0.4
163.03879	1.3
165.01831	4.1
177.05469	3.0
179.03409	2.7
180.10179	18.0
181.05008	0.7
181.10472	0.7
183.02843	1.9
187.03870	1.2
190.99751	4.0
191.03384	0.5
201.05392	0.5
203.03398	0.7
204.06549	0.6
205.04941	50.2
206.05255	1.7
206.08096	2.3
207.06563	0.8
209.00783	3.2
215.03427	0.4
220.05931	0.6
221.04404	0.5
222.11206	2.5
223.05980	3.5
232.06056	2.8
233.04410	5.3
244.09680	1.1
245.08064	0.9
246.11313	0.4
248.09225	0.7
250.07059	3.0
251.05553	1.4
257.04431	1.1
262.10706	3.9
264.12231	4.2
267.10168	1.7
269.08096	2.1
272.09094	0.6
283.09659	0.8
285.03802	0.5
290.10190	22.6
291.10367	1.1
295.06137	2.3
308.06799	1.0
309.11148	5.6
311.12656	0.5
313.07813	0.4
319.12714	0.9
326.13934	0.8
336.12283	1.5
337.10663	2.2
348.15900	1.1
354.13361	5.3
359.05939	0.6
366.17004	6.1
376.15387	0.5
394.16452	53.2
395.16702	4.2
405.09818	0.7
406.16455	1.2
423.10980	3.1
423.19092	100.0
424.19440	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
54.15327	1.7
55.01863	1.8
55.05507	6.5
58.85743	2.0
67.05497	7.2
69.03427	31.1
69.07053	3.8
69.46143	8.6
70.06585	2.0
71.05005	1.8
77.03945	1.7
79.05479	8.5
81.03413	100.0
81.07055	8.7
83.04983	4.0
85.02888	4.3
89.06017	1.9
91.05473	19.3
93.07030	6.9
93.55579	1.6
95.04959	8.4
95.08595	7.6
95.94282	1.6
97.02886	3.6
97.06531	3.8
98.22707	2.3
99.04461	15.7
100.11240	3.4
105.07021	16.2
107.04932	4.7
107.08575	9.7
109.02886	13.7
109.06525	4.1
109.10120	3.0
111.04464	3.6
113.76247	1.8
115.05440	2.7
117.07024	13.1
119.04952	2.9
119.08559	15.5
121.02845	13.6
121.06500	4.3
121.10143	2.5
123.08072	4.0
124.03972	4.2
125.05981	2.9
127.03899	11.2
128.06195	4.0
129.05458	2.4
129.07007	8.7
131.08557	23.6
133.06493	2.1
133.10124	6.4
135.08076	3.9
135.11691	4.1
141.06972	5.3
142.07800	3.4
143.08531	10.7
145.04939	10.7
145.06470	2.8
145.10112	26.4
147.08087	2.2
147.11661	2.2
149.13257	2.7
153.06978	3.2
153.49380	1.7
155.08583	8.7
156.09306	6.1
157.10123	8.1
158.10872	2.9
159.07970	3.3
159.11649	8.0
161.09608	4.8
163.11168	2.3
163.14771	2.5
164.10753	3.9
165.06937	2.8
167.08539	3.8
168.09314	2.2
169.10097	8.1
171.08073	2.4
171.11630	10.3
173.09586	4.3
173.13251	49.0
174.13570	3.4
175.11218	2.3
178.07771	2.5
179.08482	5.9
181.08653	3.6
181.10135	7.1
182.15424	2.7
183.08041	3.0
183.11665	6.8
185.09596	2.4
185.13153	2.4
187.11171	2.2
189.12733	13.7
191.10667	6.5
191.14337	2.7
192.09277	4.1
193.10107	5.7
194.10846	1.6
195.11687	4.3
197.13141	3.2
199.11238	3.5
199.14922	2.1
201.12671	9.3
206.10905	2.9
207.11691	3.9
209.13313	2.8
211.11139	2.9
211.14737	4.1
217.12228	3.6
219.13779	16.5
221.13145	4.0
225.12659	3.4
227.10628	2.3
235.14833	3.7
239.14291	3.3
253.15903	1.9
270.12347	1.7
281.15320	3.7
285.03577	1.8
287.01758	2.2
327.15894	5.1
345.16974	9.8
363.18182	2.0
405.19052	3.9
405.95755	2.1
423.10449	7.0
423.18860	17.9
423.24100	7.4
424.13535	5.3
424.30283	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	423.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03934	4.2
55.01869	1.9
55.05495	2.7
60.66333	1.4
65.57380	1.1
67.05483	5.7
69.03066	2.2
69.03423	28.4
69.07061	3.8
69.29537	7.2
70.06557	1.4
71.04978	3.2
72.08132	3.3
79.05482	7.3
81.03411	100.0
81.07055	7.8
83.04960	5.4
84.08118	1.8
85.02891	4.1
86.09676	1.9
87.57626	1.3
91.05475	15.9
93.07032	7.8
95.04954	6.0
95.08583	5.5
97.02880	6.1
97.06513	4.1
99.04457	15.6
105.07002	14.5
107.04925	2.2
107.08583	8.7
109.02869	14.4
109.06508	2.9
109.10172	1.8
111.04433	4.6
115.05438	2.6
117.06999	13.1
119.04931	1.4
119.08559	10.8
121.06507	3.9
121.10111	1.4
123.04414	1.2
123.08046	2.0
124.03837	1.4
127.03912	19.7
128.06200	4.0
129.05435	1.8
129.07014	8.3
130.07756	1.5
131.08551	21.4
133.06493	3.7
133.10126	3.7
135.04382	3.5
135.08054	3.9
135.11691	2.0
136.07651	2.1
141.06927	3.8
141.09062	3.2
142.07767	4.2
143.08514	10.5
144.09380	1.6
145.04933	8.1
145.06413	2.1
145.10123	21.3
147.08047	2.8
147.11685	1.6
149.09549	1.6
149.13292	2.3
151.03923	1.5
153.07091	1.4
155.08553	8.6
156.09335	4.1
157.10141	8.5
158.10866	2.7
159.08011	4.1
159.11673	5.1
161.09604	2.6
161.13208	1.9
163.03917	1.7
163.11179	2.5
163.14781	3.0
165.06963	4.1
167.08524	4.3
168.09267	2.5
169.10133	6.9
171.11586	9.3
173.09596	2.4
173.13252	46.9
174.13600	1.6
175.11121	1.4
178.07755	2.3
179.08539	3.6
181.08670	2.2
181.10095	7.7
182.10948	2.4
183.11650	6.6
185.09639	2.5
187.11192	1.7
189.12701	14.8
191.03423	2.2
191.10658	9.7
191.14311	3.7
192.09288	2.9
193.10115	4.6
195.11725	4.9
197.09561	2.3
197.13222	4.0
199.11151	2.1
201.12727	10.2
206.10847	2.2
207.11617	3.9
209.09572	1.4
209.13197	2.4
211.11264	1.9
211.14758	1.9
213.12697	2.1
217.12242	3.2
219.02873	16.5
219.11787	1.5
219.13788	18.7
221.13251	4.6
223.14636	2.3
228.94186	2.7
235.14888	1.9
237.12703	1.9
237.14891	2.2
239.14362	2.1
243.13887	1.7
263.14240	2.1
267.13779	2.9
281.15350	3.6
288.05063	2.0
299.16232	3.9
303.02155	1.4
315.15842	1.4
327.15869	3.5
345.16977	9.3
363.18094	2.6
372.01660	1.8
405.19202	2.7
423.10745	12.3
423.20023	24.7
424.10455	1.7
424.20288	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
54.10362	1.9
55.01878	12.0
55.05504	13.6
57.03434	23.5
59.05007	2.9
61.02919	11.7
67.05506	7.4
67.35962	1.7
69.03429	44.7
69.07067	73.6
70.32990	3.9
70.63306	1.7
71.01353	4.6
71.04987	3.8
73.02914	42.6
79.05486	3.9
81.03430	11.8
81.07048	7.8
83.04969	4.0
85.02903	100.0
86.09734	2.2
87.04469	4.0
91.03948	2.9
91.05476	5.3
93.07043	3.2
95.04961	3.2
95.08611	2.2
97.02260	3.3
97.02888	61.4
97.03490	3.8
99.04478	3.7
99.47205	1.7
103.03936	5.6
105.07024	5.7
107.08552	2.9
109.02932	10.0
109.10131	3.6
111.11713	21.8
115.03939	24.9
119.08566	3.0
121.10137	2.9
123.11732	2.6
127.03905	30.5
133.04967	40.2
133.10135	2.6
135.11613	2.0
143.97147	1.9
145.04955	36.7
145.10146	3.3
147.04375	5.6
147.11696	2.3
154.07890	2.2
159.11717	2.1
161.13327	2.1
163.06032	14.3
173.13254	2.6
207.13634	1.8
219.02898	2.5
223.06017	4.0
241.07092	8.2
259.07962	2.6
303.01651	2.2
423.09061	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	423.2223
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03948	1.9
54.10362	1.9
55.01878	12.0
55.05504	13.6
57.03434	23.5
59.05007	2.9
61.02919	11.7
67.05506	7.4
67.35962	1.7
69.03429	44.7
69.07067	73.6
70.32990	3.9
70.63306	1.7
71.01353	4.6
71.04987	3.8
73.02914	42.6
79.05486	3.9
81.03430	11.8
81.07048	7.8
83.04969	4.0
85.02903	100.0
86.09734	2.2
87.04469	4.0
91.03948	2.9
91.05476	5.3
93.07043	3.2
95.04961	3.2
95.08611	2.2
97.02260	3.3
97.02888	61.4
97.03490	3.8
99.04478	3.7
99.47205	1.7
103.03936	5.6
105.07024	5.7
107.08552	2.9
109.02932	10.0
109.10131	3.6
111.11713	21.8
115.03939	24.9
119.08566	3.0
121.10137	2.9
123.11732	2.6
127.03905	30.5
133.04967	40.2
133.10135	2.6
135.11613	2.0
143.97147	1.9
145.04955	36.7
145.10146	3.3
147.04375	5.6
147.11696	2.3
154.07890	2.2
159.11717	2.1
161.13327	2.1
163.06032	14.3
173.13254	2.6
207.13634	1.8
219.02898	2.5
223.06017	4.0
241.07092	8.2
259.07962	2.6
303.01651	2.2
423.09061	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	423.2351
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.21552	0.5
59.13371	0.6
67.05488	1.1
70.06588	0.8
74.49564	0.5
81.07045	1.0
89.48219	0.6
91.05462	0.7
91.46321	0.7
93.07042	1.0
97.29567	0.5
98.98485	0.5
110.83376	0.6
119.08621	0.6
124.03963	1.5
127.01552	2.3
141.37877	0.6
149.02351	2.4
150.02663	0.8
172.05342	0.5
175.02171	0.5
177.25409	0.5
193.05032	1.5
194.05316	1.8
212.00226	0.6
235.23007	0.5
257.26727	1.0
349.19778	0.9
391.43552	0.6
423.23541	100.0
423.28751	4.5
424.23871	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.5
57.03447	2.5
57.07075	3.7
67.05504	9.4
69.07064	9.1
69.23329	3.6
69.23739	4.4
70.86037	1.2
71.04976	1.9
71.08622	2.9
79.05489	6.4
81.07056	11.8
81.37867	1.4
83.08634	3.7
85.06531	2.1
91.05435	3.2
93.07034	8.5
95.08599	10.4
97.06525	2.7
98.22738	3.6
99.08058	2.3
105.07034	6.0
107.08600	5.7
109.06513	13.8
109.10146	4.1
119.08587	4.8
121.10146	4.4
122.07298	1.6
123.08064	51.5
124.08426	1.5
131.08502	1.5
133.10136	4.8
135.08025	7.5
135.11690	3.1
136.34859	1.4
137.09605	2.4
138.96886	1.4
145.10095	2.7
147.11714	2.9
149.09644	4.4
149.13225	2.4
159.11702	1.9
163.11176	2.0
165.12813	1.4
167.14323	1.9
177.12761	4.4
179.14304	48.3
180.14664	1.8
205.16013	2.5
247.20488	1.9
275.20160	3.0
293.06619	4.4
293.21124	2.8
303.26901	3.8
321.97318	1.5
331.26300	39.8
332.26602	2.1
349.27307	10.2
367.24753	3.2
423.31049	100.0
424.31543	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.9
55.05506	8.1
57.03421	3.0
57.07067	4.8
67.05495	10.5
68.59599	0.8
69.07063	11.2
69.98795	1.8
71.04969	1.5
71.08622	4.9
72.63350	0.7
75.04447	1.0
79.05476	6.8
81.07050	16.2
83.04948	0.7
83.08616	4.7
85.06528	1.0
85.10159	1.7
89.06019	8.2
91.05467	4.1
93.07035	10.4
94.55131	0.7
95.04951	2.0
95.08608	13.7
97.06526	2.0
97.10168	1.4
105.07021	6.4
107.08586	10.6
107.39626	0.7
109.06503	11.6
109.10157	3.7
111.08073	1.9
119.08572	7.0
121.10136	6.5
123.08057	57.8
123.11676	2.3
124.08372	0.9
131.08566	1.3
133.08583	2.8
133.10107	5.3
135.08041	9.8
135.11674	3.2
137.09589	2.8
137.13229	1.0
143.64314	0.8
144.09341	1.1
145.10100	3.4
147.11659	2.8
149.09637	3.9
149.13268	2.7
151.11215	1.1
152.36502	0.8
159.11703	3.6
161.13260	1.6
163.11157	1.1
165.12761	1.3
175.14891	0.8
177.11362	1.0
177.12685	4.9
179.14299	22.2
191.14513	0.7
194.86195	0.7
233.18915	1.6
239.14757	0.9
241.47569	0.7
246.93932	0.8
261.21997	0.9
263.20108	2.2
275.20050	6.7
277.21631	0.9
283.65930	0.8
293.21021	0.9
303.26743	6.4
318.71100	0.8
331.26263	42.7
332.26611	2.5
367.24808	2.9
407.33929	1.0
423.30997	100.0
424.31329	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.01850	1.4
55.05505	5.6
57.03444	2.0
57.07070	4.0
59.04992	0.5
62.04511	0.3
65.03905	0.6
67.05499	11.0
69.03407	0.8
69.06715	0.5
69.07061	8.4
71.04975	1.6
71.08614	2.9
71.43671	0.4
75.04018	0.3
75.04466	1.0
79.05055	0.4
79.05489	7.3
81.07053	14.6
83.04954	1.1
83.08602	2.9
85.06538	2.1
88.82593	0.4
91.05466	3.8
93.07036	8.5
95.04948	1.5
95.08598	12.6
97.06510	2.1
97.10146	0.9
99.08080	1.9
105.07017	5.9
107.08582	7.6
109.06510	18.0
109.10149	5.2
111.08083	1.8
112.04816	0.4
116.04987	2.9
117.07012	1.1
119.08557	6.4
121.06485	0.8
121.10135	5.5
122.07280	1.2
123.08060	45.0
123.11653	2.0
124.03943	2.1
124.08423	1.2
125.09582	0.4
131.08546	2.1
132.04417	0.7
133.10114	4.6
134.05991	0.9
135.08032	10.3
135.11662	2.3
136.08524	0.4
137.09583	2.4
137.13170	0.6
143.08557	0.7
145.10120	2.4
145.62758	0.4
147.11661	2.9
149.09612	3.3
149.13240	1.7
151.11151	0.7
151.14798	0.6
157.10103	0.8
157.48616	0.4
159.11699	3.0
159.30284	0.4
161.09605	0.6
161.13243	1.1
163.11151	1.0
163.14726	0.5
165.12762	1.8
167.14307	0.9
173.11787	0.5
173.13237	1.2
175.11252	0.5
175.14787	0.6
177.12723	3.3
179.14291	61.2
180.14655	2.1
181.70166	0.4
186.05235	1.0
187.14774	0.5
191.14247	1.1
192.06522	0.5
193.15799	1.9
205.15829	2.6
215.17865	0.5
220.09641	1.6
233.19031	1.3
247.20477	1.2
252.89333	0.5
263.20108	1.5
275.20053	4.2
289.25134	0.5
293.21143	0.6
298.01755	0.4
303.26834	4.2
313.25323	0.5
331.26276	43.3
332.26593	3.0
349.27228	1.3
367.24829	2.6
405.30045	1.0
423.31024	100.0
424.31342	9.9
440.51044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.2
57.07073	6.6
67.05482	6.5
67.74043	2.1
69.07046	6.9
69.71024	7.3
71.08626	6.7
79.05483	4.0
81.07043	10.4
84.44256	2.2
85.06533	4.0
89.06025	10.7
91.05446	2.2
91.20455	2.2
93.06995	3.5
95.08600	10.0
105.07048	5.1
107.08593	3.1
109.06522	18.7
109.10162	4.6
119.08541	4.2
121.10103	3.1
123.08068	30.3
133.08597	5.7
133.10120	2.9
135.08047	6.5
147.11641	3.0
149.09714	2.5
161.13225	2.6
174.57657	2.3
177.12819	2.1
179.14301	60.1
205.15948	3.3
205.26326	2.5
216.57982	2.6
239.14934	5.2
261.68826	2.3
293.06534	5.5
331.26306	27.4
349.27365	7.0
405.30008	3.2
423.11832	4.1
423.31003	100.0
424.04227	4.5
424.31357	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	424.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
54.61230	2.0
55.01870	8.2
61.65959	1.8
65.03938	2.4
68.99794	11.2
69.03437	4.8
69.48360	4.4
69.48746	5.1
71.01356	4.0
77.03943	2.7
79.05498	21.2
81.03420	21.4
83.01333	7.9
83.04990	10.9
84.43736	1.8
85.02898	3.6
88.23011	2.1
90.43702	1.7
91.04992	1.9
91.05482	10.9
95.01299	4.7
95.04970	11.8
97.02894	7.4
98.23386	4.3
99.04452	7.0
101.02364	3.5
103.05470	49.5
104.05771	2.1
105.03407	4.5
105.04514	20.9
105.07036	5.8
106.51825	1.9
107.01337	4.0
107.04953	29.2
109.02876	14.9
111.04435	15.4
113.02361	2.3
115.05474	4.1
117.04443	2.0
117.06977	2.7
121.02884	10.8
121.06493	19.3
123.00786	6.2
123.04416	9.7
125.02343	18.3
127.00220	2.7
127.03929	5.3
131.04929	100.0
132.05261	3.6
133.02856	4.0
133.03987	3.6
135.04396	7.4
136.07597	2.5
137.02344	14.6
139.00266	2.9
139.03870	11.0
141.01807	2.8
141.06993	2.0
144.05785	2.4
145.01393	2.3
145.03983	16.7
145.05019	3.4
145.06445	3.6
147.00807	3.4
147.04436	3.2
149.02350	7.3
151.03940	15.6
153.01842	10.9
155.03427	10.6
155.04816	2.3
161.02318	2.7
161.03473	22.1
163.03882	5.1
165.01855	13.3
167.03441	10.0
167.08574	2.7
169.01276	2.9
169.04897	2.6
171.02942	3.2
173.03485	2.5
173.05974	10.8
177.01901	10.0
178.05008	3.6
179.03386	22.1
181.01328	12.6
181.04990	4.6
183.02934	5.4
187.03894	24.4
187.07457	2.4
189.01848	6.5
189.03162	3.7
190.99780	4.3
195.02942	10.3
195.08171	2.0
197.04414	4.7
201.02972	2.6
205.01303	7.0
206.04518	7.4
207.02861	9.5
209.00856	3.0
223.02403	8.3
225.03958	6.4
226.03569	2.1
227.01701	2.5
229.00278	2.1
229.02448	13.7
231.03973	3.1
233.00952	2.6
241.03468	4.0
243.04953	3.4
251.01907	17.4
251.07184	2.3
257.01944	61.2
269.02896	10.0
275.08109	3.3
281.07968	2.5
287.04080	4.7
289.04562	18.3
293.08124	3.6
303.07553	5.5
310.10696	14.7
331.07257	4.0
347.06589	13.5
354.09918	2.5
365.07642	7.4
373.09113	17.6
375.06076	19.2
381.58859	2.5
390.11816	2.8
392.06366	2.5
393.07242	5.4
407.08810	10.3
424.12363	10.9
424.26880	2.3
425.09839	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	424.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90768	1.6
65.03954	1.7
68.99777	1.8
69.03419	1.8
70.02945	2.3
70.06580	5.5
70.79325	2.0
72.04514	8.5
73.02902	1.9
74.94906	1.5
79.78431	1.5
80.45315	1.3
86.19924	1.5
87.04464	6.5
89.06027	3.2
91.05489	3.6
93.07074	3.4
95.04978	1.7
104.67928	1.6
105.07021	4.4
107.04926	2.4
109.06541	1.9
111.04420	2.3
117.06985	2.7
119.04948	3.5
121.02864	24.9
127.01524	3.8
127.03912	1.9
133.06479	2.7
133.08551	1.4
145.02832	20.6
147.04463	2.2
151.03868	2.7
153.03128	4.1
155.07048	2.0
161.06006	5.8
162.09283	1.4
165.01845	4.3
173.05991	2.7
179.07051	5.9
189.05417	1.7
191.07028	3.1
207.06526	2.5
208.09732	3.7
209.04454	5.3
220.03204	2.8
223.07552	2.4
251.06961	3.8
253.84850	1.5
255.06502	10.3
260.09290	5.3
276.07776	2.3
277.08762	2.4
278.09488	7.8
279.10132	37.6
280.10754	2.5
283.06250	2.1
283.09543	3.2
286.10794	2.5
288.08514	1.9
291.10095	5.7
307.09607	83.3
308.09659	3.6
309.07611	18.5
309.10980	2.7
311.09067	4.3
319.09451	1.6
321.07632	8.6
326.10263	2.3
335.09073	9.6
337.07065	19.8
339.08649	4.4
353.10086	5.9
378.13342	100.0
379.13647	5.5
383.00903	2.1
396.14468	6.0
406.12817	12.5
424.13968	52.9
425.09891	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75935	1.6
53.03931	5.5
54.52487	1.7
55.01879	9.3
56.31528	1.7
57.03428	5.6
61.02906	4.2
63.60252	1.9
67.05502	3.0
68.76606	1.7
69.03423	32.0
69.11416	12.2
69.79433	1.7
70.06584	18.8
71.04976	4.8
71.43107	1.7
72.08148	4.6
73.02900	3.6
79.05497	12.8
81.03414	25.9
81.07051	72.0
85.02901	68.0
86.09713	3.3
87.00813	29.0
87.04447	3.2
95.08606	23.8
97.02892	22.6
97.06526	52.7
98.22694	4.4
99.04453	11.4
105.01877	23.9
109.02876	20.8
111.08054	2.7
116.07053	3.5
123.08080	20.2
125.26474	1.8
127.03023	3.4
127.03909	43.9
129.01863	3.1
131.08539	2.6
141.09096	100.0
142.09428	2.4
145.04961	15.0
159.02884	8.9
159.10187	15.3
183.14929	6.2
211.14391	6.6
213.03973	3.0
219.02876	4.5
220.03250	4.7
231.05032	8.3
232.05159	2.1
244.41266	1.8
259.74734	1.9
267.12088	2.4
270.69931	2.1
305.06302	43.7
310.21234	4.0
353.12772	2.7
380.12161	2.3
406.09854	2.3
424.10809	10.2
425.12152	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	424.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.0
57.38157	3.8
69.03420	5.6
85.02899	9.1
89.12051	3.0
97.02898	6.4
98.97575	7.9
100.07603	8.0
101.00903	4.4
106.16775	3.6
108.67725	3.3
116.74458	3.6
119.01900	7.9
121.06498	8.8
123.04503	4.2
131.04906	6.5
134.99661	3.5
137.05946	5.5
143.01854	8.7
148.05112	3.5
149.05972	15.1
151.03873	12.7
155.01875	6.2
159.04521	5.2
161.02936	22.7
167.01968	4.2
167.07037	100.0
173.02983	9.5
175.92767	3.9
177.05492	33.5
185.02977	11.2
197.02928	7.1
198.98610	3.7
203.03986	3.9
209.08057	24.3
211.09602	4.0
220.06796	12.3
227.09166	49.9
238.07864	46.6
242.99855	5.5
245.05060	31.0
262.07803	51.4
263.06030	9.4
275.06165	4.5
277.00845	4.8
280.08939	29.5
305.07303	3.3
382.11884	10.1
424.12793	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	424.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.1
52.01902	0.1
53.03937	0.1
57.07088	0.1
63.86234	0.1
67.05499	0.2
68.05042	0.1
69.07047	0.1
69.59859	0.4
78.03439	0.5
79.04198	0.1
79.05475	0.1
80.05012	3.3
81.01041	0.1
81.07046	0.2
85.02911	0.2
89.59041	0.1
93.07021	0.2
95.08569	0.2
96.04482	2.3
98.22731	0.2
105.07037	0.3
107.08574	0.2
109.10096	0.1
124.03941	100.0
125.04282	1.7
140.03383	0.2
145.10127	0.1
198.07373	0.1
205.10442	0.1
215.86533	0.1
391.95532	0.1
424.24817	0.7
424.31027	0.2
425.25418	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	424.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25219	1.5
55.05502	3.9
57.07074	69.3
58.07402	1.7
67.05492	2.5
68.77186	1.3
69.07067	7.0
69.67220	3.0
69.67609	6.2
70.24747	1.6
70.30317	1.5
71.08627	54.9
73.06551	3.6
81.07094	1.8
82.64552	1.5
83.08604	2.4
85.09691	2.9
85.10181	39.9
87.04433	1.8
89.03907	2.0
89.06026	100.0
93.07044	1.7
95.08593	1.7
97.10156	5.7
99.11725	6.8
107.07080	2.7
111.11723	4.7
111.77908	1.4
113.13254	3.9
113.90742	1.7
116.04985	8.3
117.05320	4.8
117.09132	2.6
124.03955	3.3
133.08595	62.4
134.06030	4.4
134.08954	1.9
135.06354	2.5
143.88339	1.7
145.02592	6.5
146.02965	3.6
151.09691	4.4
155.14970	1.6
173.03148	2.3
177.11203	14.5
183.43486	1.5
186.05283	15.5
187.05571	10.2
195.12248	5.7
220.09708	3.3
221.10008	1.9
239.14865	45.9
257.24817	2.1
301.27365	2.4
301.56552	1.6
332.26611	1.8
407.33691	34.6
408.33963	1.9
424.31235	4.1
425.11237	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	424.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
57.07072	33.7
69.07069	2.6
69.32721	0.7
69.33130	2.0
71.08627	26.1
73.06552	4.2
81.07058	0.6
83.08607	2.2
85.10175	18.8
86.10516	0.7
87.04469	1.9
89.06026	100.0
90.06369	1.2
91.07584	0.9
97.10165	3.0
99.11723	4.1
107.07081	2.1
111.11711	2.6
113.13269	2.4
117.09139	1.6
123.02037	0.5
125.13229	0.5
127.14832	1.2
130.08635	1.1
133.08600	50.8
134.08983	1.1
151.09644	4.9
169.19524	3.1
177.11206	11.9
195.12239	3.6
213.22195	2.4
221.13908	1.7
239.14879	24.7
240.15218	0.9
257.24762	5.2
294.62537	0.5
301.27435	2.3
363.31067	1.4
395.94565	0.5
407.33636	25.3
408.34052	2.0
424.31210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67559	2.3
57.07074	67.1
69.07040	5.3
70.40826	5.3
71.08632	53.6
83.08600	3.4
85.10171	30.1
88.27768	2.3
89.06029	100.0
90.06358	2.8
97.10201	4.5
98.23330	2.5
99.11729	9.8
104.57928	2.6
107.07020	2.9
113.13275	4.6
117.09128	2.7
133.08592	59.0
151.09633	4.4
177.11191	19.1
195.12318	5.5
220.32339	2.3
239.14890	40.7
257.24738	4.4
407.33658	28.4
424.04416	3.2
424.12881	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	425.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77070	0.2
69.03434	2.2
69.92056	0.7
95.01286	0.9
95.04945	0.3
106.04163	0.3
107.01237	0.3
107.04903	0.9
125.02360	0.5
131.04893	1.1
135.04414	1.7
137.02263	1.0
145.03914	0.3
147.04361	0.3
150.03030	0.9
151.03868	0.3
153.00652	0.4
153.01819	5.9
155.60904	0.2
161.02287	0.5
161.03490	0.4
167.03307	0.4
168.04172	0.3
178.02606	1.2
178.10057	0.3
179.03357	0.7
181.01288	3.2
187.03812	0.3
195.02895	1.8
196.03647	1.5
197.04407	0.5
199.02380	6.7
211.06020	5.6
213.05513	0.3
219.02994	0.3
231.03996	0.4
231.06282	0.5
237.18867	0.2
240.94174	0.3
241.04968	1.2
244.03601	0.5
245.04451	0.2
247.02390	3.8
255.06487	0.8
257.01877	1.3
259.05981	2.3
262.04758	0.8
269.04294	1.5
273.07385	0.2
277.07034	5.4
283.06018	1.3
284.06763	0.9
285.04092	0.3
285.07471	0.4
286.04999	0.4
286.08029	0.4
287.05511	8.3
289.04556	0.3
295.07883	0.4
297.03680	0.4
298.04959	0.3
298.08316	0.7
299.05426	0.4
301.07062	0.9
302.07874	0.8
303.08545	0.3
312.06430	1.4
313.07132	1.4
314.04236	0.5
314.07727	0.3
315.04968	43.0
316.05341	2.1
317.10175	3.1
329.06570	2.7
330.07321	7.4
331.07480	0.5
337.08139	0.3
343.07990	0.5
344.08905	0.5
345.09674	100.0
346.10016	6.2
375.05933	0.3
393.07248	0.5
407.08942	0.4
425.05377	8.9
426.05826	0.5
440.84854	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	425.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60746	4.5
56.96558	8.8
61.64080	4.2
69.74760	13.8
70.27116	5.2
70.31721	4.6
81.03459	4.6
84.08131	8.2
95.06091	5.7
98.22764	5.4
98.97583	31.1
102.02431	4.3
113.07125	13.4
116.98624	8.5
119.91562	4.7
126.19909	4.0
237.02748	9.2
305.06354	18.2
339.07568	26.0
357.08585	25.6
381.08942	13.0
424.26553	5.4
425.08328	100.0
425.20325	24.7
426.08755	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	425.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02351	5.4
56.96560	5.9
69.28819	17.7
69.29215	13.2
70.06580	8.1
82.15121	5.5
84.08132	6.6
87.08812	5.2
95.06046	9.7
97.16683	6.1
98.97578	26.5
112.35424	6.8
113.07133	11.1
116.98636	8.8
128.37517	5.7
128.98558	6.6
213.04440	6.9
219.01767	9.2
237.02704	10.8
305.06195	19.6
339.07458	29.2
357.08618	31.7
381.08743	12.1
425.08344	100.0
425.20386	33.2
426.08527	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	425.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13335	1.1
70.49608	2.8
79.01856	2.9
84.34641	1.1
84.86756	1.2
93.03422	1.5
109.02837	1.3
116.05020	1.6
121.02856	4.1
130.78076	1.2
133.02843	1.9
137.02315	6.2
144.04434	20.9
144.07054	1.3
147.00725	6.9
149.02356	10.4
155.03380	4.8
157.90335	1.1
161.02312	8.9
165.01820	2.7
175.00259	1.8
177.01825	1.2
178.01338	4.2
190.99765	3.6
202.99678	8.5
205.01389	2.6
207.99977	4.2
209.00842	2.6
216.93883	1.2
217.01427	1.7
221.00815	2.6
226.01141	6.4
230.99246	1.4
233.00804	15.4
235.02354	17.2
249.00165	3.3
251.01901	4.4
257.02148	1.6
261.00415	3.8
279.01340	83.2
280.01700	4.0
282.07611	2.6
297.02365	2.7
365.06506	17.5
366.07248	1.5
375.06238	1.5
383.07596	100.0
384.07886	6.0
393.06982	1.6
425.11423	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	425.098
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95470	0.8
70.96725	1.3
81.03373	0.7
88.48731	0.7
95.04922	1.1
95.06052	1.3
99.95799	0.8
105.03809	1.5
105.04514	29.1
113.07123	3.0
117.04507	3.1
130.71439	0.7
131.04912	3.4
132.05267	1.1
133.03090	0.9
133.03957	5.3
145.03967	27.5
147.24535	1.0
151.03940	1.0
161.03455	37.5
162.03731	0.9
163.05038	2.4
173.03445	5.5
180.64258	0.8
187.03894	42.0
188.04266	1.0
189.02954	10.0
191.04443	0.9
201.02933	8.5
219.04015	3.3
221.05882	1.0
229.02429	19.8
230.02751	1.1
247.03484	2.2
247.08594	1.0
248.07191	1.4
257.01926	100.0
258.02231	4.7
263.08078	2.0
275.08066	6.3
276.06488	1.7
289.04523	32.1
290.04950	1.5
291.07730	1.2
303.07544	6.0
319.07510	1.4
326.95142	0.9
331.07092	8.2
347.06604	21.1
348.06534	1.2
351.42700	0.9
375.06097	38.6
376.06372	2.5
393.07126	3.4
407.03806	1.5
407.08737	20.5
408.08844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.1
52.01906	0.1
52.07885	0.1
55.98095	0.2
58.59137	0.1
60.88998	0.1
63.02371	0.1
64.82738	0.1
65.03925	0.5
68.99786	0.2
69.25190	0.7
86.02423	0.1
89.03905	1.4
91.05474	0.2
92.04986	0.1
93.03387	0.2
103.05489	0.6
111.04420	0.1
114.55264	0.1
116.04974	6.6
117.05286	0.1
131.04941	1.4
132.04480	0.2
134.06026	0.3
143.03656	0.1
144.04437	100.0
145.04768	2.2
148.00307	0.2
153.05458	0.2
155.64938	0.1
165.56435	0.1
176.03383	0.2
178.01346	18.3
179.01674	0.5
204.02905	0.2
222.00371	0.5
240.06563	0.2
282.07596	11.6
283.07849	0.6
314.25296	0.2
326.06586	0.4
425.11292	10.8
426.11578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.113
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02359	0.2
65.03929	0.4
80.01371	0.4
89.03904	1.2
92.05006	0.3
105.74907	0.2
116.04978	5.6
116.05781	0.4
122.02366	0.6
131.04927	0.5
134.06126	0.2
136.00252	0.9
140.03397	0.4
144.04440	100.0
145.04794	2.5
150.01872	2.2
154.01323	2.0
178.01357	2.6
196.02403	5.2
282.07626	4.9
283.08008	0.6
392.85760	0.2
425.11298	4.5
426.11639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15120	0.7
55.10402	0.7
56.81831	0.7
57.13153	0.6
60.96896	0.9
69.03425	0.7
82.99852	1.9
88.75085	0.7
94.99846	1.5
97.02858	1.7
101.00874	15.4
113.00862	2.4
119.01919	31.0
127.02416	2.5
127.03831	0.9
131.00940	1.2
131.01889	9.5
137.02942	3.7
139.02428	1.2
143.01897	33.5
144.02028	1.2
145.03461	10.0
147.01381	1.1
149.02867	1.0
150.07999	0.8
150.67239	0.7
150.68738	0.7
155.01889	15.9
157.03467	7.3
159.05025	0.9
160.43538	0.7
161.02957	54.5
162.03072	2.4
163.04535	1.0
167.01892	8.7
169.03490	4.3
171.05014	2.3
173.02968	22.7
174.03183	0.9
175.04492	2.1
179.01894	2.9
181.03473	1.1
185.02956	36.0
186.03055	2.4
187.04568	4.0
191.04010	4.9
194.91971	1.2
195.05101	1.0
196.04814	0.8
197.02957	12.9
203.04021	17.4
204.04083	1.0
209.02954	0.9
215.03990	8.4
216.94803	1.0
219.08267	2.9
221.05084	3.0
227.03972	6.6
235.05634	0.8
245.05057	100.0
245.48177	0.8
246.05316	6.5
251.03050	6.1
255.07172	0.9
257.05084	6.5
263.06113	26.4
264.06161	1.8
275.06110	12.0
276.06372	1.3
284.97763	1.5
293.07169	3.7
305.07144	9.7
306.07291	1.0
321.77704	0.8
335.07947	1.6
339.09299	1.0
341.11646	1.0
357.09946	0.8
365.09314	5.2
425.11127	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	425.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61964	0.8
56.69706	0.8
56.96281	0.8
70.31167	0.8
71.42921	0.7
85.90186	0.8
87.04469	6.6
89.06019	3.7
104.53336	0.7
108.73164	0.7
129.21977	0.8
133.08601	0.8
147.04462	0.9
185.56189	0.7
267.02664	1.1
295.01709	1.1
299.17578	0.8
305.10349	0.8
310.04239	0.8
326.14478	0.8
365.09930	22.8
366.10138	1.4
379.11310	5.0
393.09436	61.1
394.09991	5.2
407.10999	32.0
408.11349	2.2
425.12045	100.0
426.12213	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	425.1438
Annotation	Fortuneanoside E
Peak:m/z	Relative Intensity
52.41774	1.3
53.03941	2.6
55.05515	2.9
57.03433	8.7
61.02923	2.0
66.01598	1.3
67.55690	1.1
69.03437	2.9
69.34410	2.3
69.34760	6.2
71.04986	1.7
73.02911	2.0
74.58511	1.3
79.05506	1.3
80.49891	1.3
81.03416	1.9
83.04987	1.6
85.02905	9.1
89.03949	1.5
90.64851	1.2
91.05473	5.8
97.02866	2.7
98.76705	1.2
99.04432	8.9
103.03947	10.4
103.05452	2.0
105.07043	2.8
109.02866	5.1
112.74319	1.2
115.05434	3.0
117.03403	1.1
117.05495	16.5
117.06971	2.4
118.04187	4.7
119.04995	2.9
121.02819	1.6
127.03907	8.2
128.06194	2.7
129.07031	2.1
131.04965	2.5
131.08577	2.1
141.05428	1.5
144.05698	2.3
145.02789	2.0
145.04980	1.4
145.06462	2.4
146.03619	15.5
147.04410	2.7
149.02298	2.0
157.06499	1.5
157.08621	4.2
159.08052	3.1
161.05919	2.1
174.03101	18.6
174.06860	1.8
175.03862	3.0
175.07442	2.2
177.01787	1.6
177.05530	2.8
177.08925	2.4
182.15401	1.5
183.06613	1.7
185.04237	1.4
185.05858	2.2
187.03905	1.7
187.07532	1.7
189.05470	3.5
189.09071	1.5
192.04175	29.4
201.05473	3.3
201.07582	7.2
202.06200	2.2
203.07018	3.7
205.04938	12.6
205.08463	1.5
207.06522	100.0
208.06912	5.1
213.05582	2.3
214.06404	1.8
217.08644	3.7
219.06546	4.4
219.10040	1.3
231.06520	7.0
232.07324	3.2
235.06142	1.4
235.09691	5.3
245.05585	3.5
245.08073	6.2
248.06877	1.8
248.65961	1.3
263.09131	23.3
281.10178	20.5
290.16983	1.1
305.06326	7.0
305.10040	2.0
323.11328	4.8
336.78104	1.2
339.14047	14.3
363.14160	1.6
381.15204	33.0
425.14142	86.1
426.14609	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58516	0.1
63.41164	0.1
65.03948	0.2
67.05502	0.2
68.05023	2.8
69.03416	0.3
70.06594	0.2
70.21605	0.1
70.90910	0.2
81.03416	0.9
85.02920	0.5
93.03420	0.2
95.06089	36.7
96.06419	0.5
108.02084	0.2
109.02869	0.2
110.01025	0.2
111.04453	0.3
113.07126	100.0
114.07468	1.6
132.31342	0.2
151.03903	9.7
151.04996	0.8
152.04250	0.4
169.04973	0.3
264.35321	0.1
295.08063	0.3
306.93677	0.2
313.09241	0.2
343.81506	0.1
357.84534	0.2
425.15518	7.8
426.15881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08496	1.2
57.05241	1.1
61.98310	1.2
69.07065	2.6
69.45866	4.9
79.05466	2.2
81.07054	7.7
95.08609	1.9
113.76497	1.3
117.03427	2.3
117.04835	3.0
121.10130	1.1
136.03915	4.0
145.02881	2.9
150.23222	1.5
154.04984	19.0
161.02942	1.5
171.45177	1.2
177.05464	3.1
198.29329	1.1
199.46294	1.4
201.03685	1.7
203.05309	2.4
227.05338	2.5
237.07483	1.2
243.04753	15.1
245.06277	10.4
255.71930	1.4
271.04233	2.4
273.17719	1.3
287.03711	100.0
288.03998	3.4
289.05280	89.2
290.05615	2.2
294.31039	1.4
295.13644	1.4
297.07596	1.9
316.10184	1.9
381.18701	8.4
393.09308	2.3
424.30426	1.9
425.17783	78.6
425.23666	4.4
425.30173	2.3
426.17847	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	12.6
67.05523	2.6
69.07059	4.5
69.86298	7.3
71.08641	7.8
72.08965	4.6
79.05505	2.5
80.67412	2.4
81.07079	3.9
85.02930	2.4
85.10200	7.3
89.06024	15.6
91.05515	4.2
93.07039	4.3
95.04994	3.1
95.08610	4.2
96.04523	2.2
98.23420	2.1
98.98459	93.2
105.07067	6.0
107.08631	4.8
110.30438	2.0
110.98430	19.8
119.08595	3.2
124.03936	39.6
124.04756	3.1
125.04328	8.9
133.08588	10.2
133.10124	2.5
138.97896	33.4
156.98936	11.3
182.97005	4.7
200.97925	100.0
239.14885	7.6
240.15263	2.5
254.93286	2.6
257.04224	20.8
313.10529	5.1
408.33923	4.0
425.12338	3.4
425.26550	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	425.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25549	0.2
58.77295	0.2
70.08717	0.5
75.72664	0.3
76.04309	0.2
100.39295	0.2
102.75494	0.3
111.61916	0.2
117.04823	0.6
117.50372	0.3
138.01564	0.2
145.02829	0.3
177.05447	1.0
193.81831	0.2
202.78488	0.2
276.22830	0.3
341.31613	0.3
355.17178	0.5
425.25058	100.0
426.25381	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
59.04995	0.4
66.53900	0.3
67.05504	0.5
68.99783	0.6
69.03428	0.7
69.07048	0.4
70.08643	0.6
81.03397	0.4
81.07054	0.9
87.55166	0.3
89.03910	1.9
89.06036	0.5
91.05483	0.8
93.07019	0.5
95.08585	0.6
105.07027	0.8
107.04902	0.5
109.02884	0.9
112.18900	0.4
117.03388	5.4
117.04832	1.6
119.08543	0.4
121.02854	1.1
121.10088	0.6
127.01527	0.9
135.04401	0.4
145.02850	9.3
146.03220	0.7
147.04416	0.9
149.05956	1.8
168.44495	0.4
177.05463	15.4
178.05881	0.6
184.03381	0.5
215.07036	1.0
243.06540	0.6
256.06863	0.8
261.07571	2.3
285.07602	0.6
297.07480	0.9
303.08630	0.5
327.18002	0.4
352.89532	0.5
366.13510	0.5
425.25089	100.0
426.16013	0.7
426.25406	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	425.2663
Annotation	Stypoltrione
Peak:m/z	Relative Intensity
53.95054	0.4
61.15208	0.3
62.66989	0.3
67.05508	0.7
71.56066	0.4
79.05476	0.4
81.07059	0.6
90.96753	0.6
91.05484	0.7
93.07042	0.8
93.34618	0.4
95.04993	0.5
95.08618	0.7
105.07032	0.5
106.03966	0.4
111.02702	0.4
112.37468	0.4
117.06969	0.4
120.01835	0.9
121.10125	0.5
124.03934	1.2
133.10126	0.6
148.08768	0.4
160.85881	0.3
228.86130	0.4
267.25513	0.4
341.04666	0.3
382.29568	0.5
391.24237	0.5
420.16730	0.7
425.26605	100.0
426.26959	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	425.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05298	1.3
55.05510	15.8
57.03432	4.9
57.07066	5.3
59.05027	1.2
61.53579	1.1
62.55628	1.2
67.05499	14.8
69.07060	18.3
71.04993	2.5
71.08624	5.2
74.16800	1.3
75.50812	1.2
75.63548	1.1
79.05488	8.1
81.07047	22.9
83.04962	1.5
83.08613	9.4
85.06519	2.1
87.39336	1.2
91.05456	4.8
93.07037	16.9
95.04957	2.4
95.08595	25.2
97.06512	6.3
97.10144	3.6
98.23484	4.1
99.08094	1.2
105.07021	6.2
107.08584	22.4
109.06498	7.2
109.10143	11.2
111.08066	4.1
119.08574	8.4
121.10138	13.9
123.08064	26.5
123.11684	3.4
133.10118	2.9
135.11703	3.9
137.09624	3.1
137.13274	1.7
145.10130	1.7
147.11716	3.1
149.13271	4.3
161.13206	1.9
163.14865	3.1
165.12787	2.8
167.14313	4.7
175.14825	1.4
177.16364	1.5
179.14258	20.9
181.15941	1.2
224.62100	1.2
226.92551	1.4
273.72171	1.4
277.21487	8.4
305.28308	2.4
333.27835	77.2
334.28223	5.6
351.24966	2.5
351.28915	19.6
407.31555	5.0
425.32574	100.0
426.33047	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	426.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97667	0.7
56.05005	0.8
58.06593	2.0
70.06586	7.4
70.10886	0.7
74.40084	0.7
80.05026	0.8
81.07087	0.9
84.08140	1.0
87.87863	0.7
88.07622	8.1
91.05472	1.4
96.08151	1.4
103.05459	3.7
108.08121	1.0
108.35237	0.7
110.09672	2.1
118.06503	0.9
120.08160	1.1
121.02821	0.7
121.08872	1.2
126.09141	7.2
131.04900	8.1
134.09624	1.3
136.07544	1.6
138.09167	1.4
145.72160	0.9
147.04427	0.7
148.03906	0.9
162.09131	1.3
165.01808	6.2
170.11774	3.1
171.12506	1.0
174.09187	0.8
177.01872	0.9
178.01347	9.0
180.10295	1.1
183.02913	3.8
187.03938	1.2
189.01814	4.1
189.05505	0.7
191.03448	0.8
202.05052	1.1
203.03500	1.6
203.05734	0.8
204.02866	1.2
204.06541	1.8
205.04979	7.1
206.00853	2.5
207.02882	2.3
215.03418	3.1
217.05013	2.7
230.04472	2.4
231.05244	2.9
232.06050	6.0
233.04442	2.3
233.06665	1.5
244.06041	1.8
244.09857	0.9
246.07646	1.3
248.05513	2.8
249.06367	1.3
269.08142	1.6
272.09128	6.8
282.07684	1.4
290.10223	13.6
291.10315	1.0
293.08139	3.5
297.29013	0.8
298.14499	1.3
307.09604	2.2
308.11438	1.2
310.07065	2.4
322.04187	1.6
323.06567	2.3
334.10751	0.9
335.11505	3.6
336.12259	2.1
337.13287	0.8
376.15326	2.7
394.16455	100.0
395.16727	7.7
409.11829	1.5
426.09552	1.0
426.19141	9.0
427.12979	10.0
427.18777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97667	0.7
56.05005	0.8
58.06593	2.0
70.06586	7.4
70.10886	0.7
74.40084	0.7
80.05026	0.8
81.07087	0.9
84.08140	1.0
87.87863	0.7
88.07622	8.1
91.05472	1.4
96.08151	1.4
103.05459	3.7
108.08121	1.0
108.35237	0.7
110.09672	2.1
118.06503	0.9
120.08160	1.1
121.02821	0.7
121.08872	1.2
126.09141	7.2
131.04900	8.1
134.09624	1.3
136.07544	1.6
138.09167	1.4
145.72160	0.9
147.04427	0.7
148.03906	0.9
162.09131	1.3
165.01808	6.2
170.11774	3.1
171.12506	1.0
174.09187	0.8
177.01872	0.9
178.01347	9.0
180.10295	1.1
183.02913	3.8
187.03938	1.2
189.01814	4.1
189.05505	0.7
191.03448	0.8
202.05052	1.1
203.03500	1.6
203.05734	0.8
204.02866	1.2
204.06541	1.8
205.04979	7.1
206.00853	2.5
207.02882	2.3
215.03418	3.1
217.05013	2.7
230.04472	2.4
231.05244	2.9
232.06050	6.0
233.04442	2.3
233.06665	1.5
244.06041	1.8
244.09857	0.9
246.07646	1.3
248.05513	2.8
249.06367	1.3
269.08142	1.6
272.09128	6.8
282.07684	1.4
290.10223	13.6
291.10315	1.0
293.08139	3.5
297.29013	0.8
298.14499	1.3
307.09604	2.2
308.11438	1.2
310.07065	2.4
322.04187	1.6
323.06567	2.3
334.10751	0.9
335.11505	3.6
336.12259	2.1
337.13287	0.8
376.15326	2.7
394.16455	100.0
395.16727	7.7
409.11829	1.5
426.09552	1.0
426.19141	9.0
427.12979	10.0
427.18777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83028	0.5
53.03931	0.7
55.05503	1.8
55.28332	0.5
57.03441	0.7
57.07077	3.6
58.06587	0.6
67.05492	2.6
69.03407	1.1
69.07066	1.1
69.13786	1.0
69.14184	3.5
70.04047	1.6
79.05481	2.1
79.34410	0.6
81.03415	11.3
81.07052	4.4
82.76307	0.5
83.04961	2.4
91.05469	4.2
93.07022	4.2
95.04966	0.9
95.08588	4.3
97.02888	2.1
105.07014	8.6
107.08575	5.2
109.06505	1.1
109.10166	0.8
111.04420	3.8
111.08074	0.6
117.04844	1.5
117.07010	3.7
119.04872	0.5
119.08578	15.0
121.02851	1.3
121.06552	1.2
121.10108	2.8
123.08061	1.9
124.03939	1.9
125.05959	0.8
127.01274	1.1
127.03888	5.3
127.08587	0.6
129.06952	1.5
130.07759	2.2
131.08548	6.6
133.10114	8.4
135.04420	0.7
135.08012	1.8
135.11674	0.8
141.06932	0.7
142.07770	1.3
143.08533	4.2
144.09311	1.6
145.10114	54.4
146.10472	1.4
147.08003	1.3
147.11679	13.1
149.09592	2.1
149.13245	1.2
153.05414	0.6
155.08554	1.4
156.09328	1.9
157.10130	5.8
158.10870	4.1
159.08089	0.7
159.11679	13.1
161.09648	1.1
161.13242	2.5
169.10094	2.5
170.10812	1.6
171.11667	3.0
172.12456	7.9
173.09636	1.5
173.13213	3.2
175.11179	0.9
175.14809	1.2
177.16415	0.8
181.10109	2.2
182.10876	0.9
183.11700	2.5
185.09657	0.9
185.13251	2.6
187.14803	100.0
188.15163	5.1
189.12775	0.8
189.16316	1.1
193.10123	0.9
197.09521	0.9
197.13257	2.4
200.11963	0.6
201.12706	0.9
205.15871	5.3
207.11586	1.5
209.13188	1.0
211.11285	0.9
211.14809	3.2
213.16454	0.6
215.14322	1.7
216.15030	0.8
220.12419	0.8
221.84680	0.6
225.12665	0.8
225.16330	1.2
229.15854	1.8
235.14636	2.8
239.17947	0.7
253.12178	1.0
253.15779	0.9
261.15329	0.7
267.17447	0.7
271.16876	1.0
285.18484	0.9
295.16901	2.6
313.17914	8.1
323.82419	0.7
331.19003	73.6
332.19370	4.8
426.24808	4.7
427.13498	2.3
427.25647	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.7
55.48333	0.4
57.07056	0.7
67.05504	2.4
69.03434	2.4
69.07049	1.9
71.04972	0.4
71.43330	0.4
78.03438	3.3
79.05478	2.2
80.05009	3.4
81.07053	5.4
83.04976	4.1
83.08610	1.7
85.06556	0.6
87.04451	0.8
88.47228	0.4
89.06026	1.6
91.05475	2.2
93.07037	4.5
95.04937	0.7
95.08597	5.2
96.04492	3.3
97.06529	1.7
97.10178	0.5
99.04510	0.4
99.08083	0.8
105.07017	3.7
106.02909	8.9
107.08586	4.9
109.06555	0.6
109.10133	3.5
112.07609	0.9
117.06985	0.7
119.08563	4.5
121.10121	3.1
123.08080	0.6
123.11689	1.6
124.03946	100.0
125.04272	1.5
127.01569	1.1
131.08574	1.7
133.08531	0.8
133.10127	3.2
135.08043	1.6
135.11693	1.9
137.09576	0.6
138.05507	0.7
139.11148	0.6
142.07748	0.4
143.08553	1.5
145.10124	3.1
147.11668	1.6
149.09612	1.3
149.13298	1.0
151.57529	0.4
156.09279	0.5
157.10063	0.9
159.11684	3.2
161.09605	2.0
161.13275	1.9
163.11168	1.1
163.14798	0.8
169.10149	1.1
171.11658	1.2
173.13232	1.9
175.11179	0.9
175.14816	0.8
177.12691	0.8
183.11754	0.7
183.13808	3.3
185.13255	1.2
187.11047	0.5
187.14799	1.1
189.16391	0.5
191.14299	0.5
196.12503	0.4
197.13416	0.5
199.14827	1.0
201.16447	0.6
203.14333	1.5
205.15842	0.5
211.14789	0.6
213.16341	0.7
217.15887	0.5
225.16391	0.6
229.15756	0.6
233.15408	0.7
239.15001	0.5
239.17931	0.4
241.19508	0.5
247.17044	0.5
253.97203	0.4
267.21011	1.0
273.22147	0.6
275.23868	0.5
285.21985	3.4
303.23151	4.9
304.23453	0.6
364.92838	0.4
408.25327	0.7
426.26376	20.3
427.26862	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	426.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.92805	0.2
61.87680	0.2
66.36843	0.2
67.05500	1.2
69.07063	0.4
78.03439	0.4
79.05482	0.9
80.05013	4.2
81.03430	1.3
81.07056	2.2
83.08591	0.4
85.10165	0.3
89.06019	0.3
91.05489	0.8
92.06012	0.2
93.07037	2.3
95.04967	1.7
95.08603	2.9
96.04479	2.9
97.06536	0.3
98.23437	0.7
105.07037	1.1
106.02917	0.8
107.04943	0.5
107.08584	2.8
109.10138	2.4
112.55994	0.2
117.74310	0.3
119.08560	0.8
121.06512	0.3
121.10120	1.1
123.11707	0.5
124.03947	100.0
125.04298	1.4
129.06967	0.3
131.08588	0.3
131.42741	0.2
133.08578	0.3
133.10162	0.6
135.08040	1.1
135.11681	2.5
137.09584	0.3
137.13254	0.3
141.16032	0.3
143.08556	0.5
145.10141	0.4
147.08025	0.4
147.11693	0.7
149.09607	0.5
149.13245	0.7
159.11682	0.6
161.09593	0.7
161.13301	0.5
163.11154	0.3
163.14848	0.2
171.11772	0.3
175.11215	0.7
175.14746	0.4
183.11700	0.3
185.13364	0.3
189.12669	0.6
191.17871	1.9
192.18367	0.3
197.13336	0.3
203.17908	0.7
211.14763	0.3
267.21024	0.6
285.22079	1.3
308.60675	0.3
408.25217	2.3
426.26331	2.1
427.26361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	45.1
62.70275	1.7
68.57861	1.7
69.81208	6.7
70.06583	5.4
84.96039	19.4
97.96792	2.7
98.97580	100.0
101.28571	2.0
102.97111	3.2
110.97591	5.8
116.98622	71.7
122.07150	1.9
126.97031	24.7
127.00662	1.8
128.98613	9.1
134.99663	35.5
140.98660	2.9
144.98082	73.0
146.99632	3.6
150.07747	15.1
151.03879	2.4
153.00792	3.5
158.99664	18.9
162.99138	65.0
170.99686	7.6
177.00677	21.3
180.08835	4.7
181.00163	8.8
186.99161	17.5
189.00725	10.4
190.98630	12.7
194.99692	8.7
203.12817	3.3
205.00232	20.7
208.99695	4.3
211.99852	9.7
213.00679	14.8
214.98645	25.6
222.05707	1.8
227.02283	6.8
230.00966	5.2
231.01779	2.3
232.99684	45.1
245.03366	2.9
251.00604	11.0
269.03265	8.2
271.99902	2.3
275.00699	10.5
279.01804	2.7
287.04617	2.2
290.00998	4.9
293.01779	15.3
295.11572	3.0
297.02850	15.5
305.03397	3.9
325.02173	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	427.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	24.0
59.44867	7.4
64.94783	6.6
70.06603	15.3
70.29758	15.9
73.76229	6.6
84.96024	10.4
85.02891	7.7
95.78992	6.4
98.97556	65.5
110.24952	5.9
110.25676	7.1
110.97564	20.3
116.98645	31.4
128.98604	20.9
134.99637	20.5
139.11235	7.3
140.49290	6.4
146.99617	15.2
150.07776	8.1
161.01160	7.2
177.00694	12.8
199.99883	13.0
203.12782	11.6
219.01797	49.7
237.02826	61.6
276.84708	6.8
278.00949	8.8
341.05243	11.5
359.06497	46.5
427.06207	72.3
427.12103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17767	0.4
63.79845	0.4
69.27103	2.4
70.06593	6.8
73.47672	0.5
76.55759	0.4
80.05000	0.5
85.12440	0.4
105.04502	3.3
106.06557	0.6
107.06068	3.7
112.08710	2.1
119.06052	4.1
121.03951	0.9
125.05853	0.5
133.03975	2.6
135.05510	2.6
147.05531	3.2
151.03894	1.1
151.05005	1.1
161.03365	0.5
163.04996	0.4
175.05029	8.7
176.03438	3.9
179.03360	5.6
187.03868	2.0
189.02986	0.5
200.84641	0.4
203.04507	23.4
204.02895	1.5
204.04741	1.1
217.02475	1.0
229.02380	0.5
231.03993	100.0
232.04361	2.9
238.08624	1.1
249.05089	1.6
259.03500	51.9
260.03751	1.4
265.09830	2.3
272.09183	0.6
277.04456	1.2
291.06113	6.1
293.09152	1.0
309.95801	0.5
321.08673	51.4
322.09149	2.9
349.08197	12.8
350.08624	0.6
367.05432	0.4
367.09198	20.9
368.09610	1.6
377.07819	4.2
395.08716	42.8
396.09094	2.9
409.10196	1.0
427.11392	26.9
428.11661	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	427.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17767	0.4
63.79845	0.4
69.27103	2.4
70.06593	6.8
73.47672	0.5
76.55759	0.4
80.05000	0.5
85.12440	0.4
105.04502	3.3
106.06557	0.6
107.06068	3.7
112.08710	2.1
119.06052	4.1
121.03951	0.9
125.05853	0.5
133.03975	2.6
135.05510	2.6
147.05531	3.2
151.03894	1.1
151.05005	1.1
161.03365	0.5
163.04996	0.4
175.05029	8.7
176.03438	3.9
179.03360	5.6
187.03868	2.0
189.02986	0.5
200.84641	0.4
203.04507	23.4
204.02895	1.5
204.04741	1.1
217.02475	1.0
229.02380	0.5
231.03993	100.0
232.04361	2.9
238.08624	1.1
249.05089	1.6
259.03500	51.9
260.03751	1.4
265.09830	2.3
272.09183	0.6
277.04456	1.2
291.06113	6.1
293.09152	1.0
309.95801	0.5
321.08673	51.4
322.09149	2.9
349.08197	12.8
350.08624	0.6
367.05432	0.4
367.09198	20.9
368.09610	1.6
377.07819	4.2
395.08716	42.8
396.09094	2.9
409.10196	1.0
427.11392	26.9
428.11661	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	427.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95830	0.6
68.01388	1.8
68.99799	1.7
69.24869	1.7
69.25269	1.9
71.76421	0.6
72.71145	0.6
72.71568	0.6
73.83397	0.7
79.05479	1.4
86.02426	1.2
91.05466	4.3
92.99765	1.0
98.22652	1.0
103.05466	12.4
107.04951	1.3
118.06544	5.7
122.02385	1.1
124.43935	0.6
130.06546	3.7
131.04924	25.4
139.59476	0.6
144.04445	1.7
146.05981	1.1
146.43526	0.7
150.01874	1.1
157.07607	1.3
158.06032	2.0
160.31787	0.8
166.01335	1.4
176.03441	1.4
178.01340	85.2
179.01732	1.3
182.00847	1.0
184.07608	0.7
185.05806	0.9
204.02786	0.7
206.00841	20.7
212.07056	1.3
221.07034	0.9
222.05505	0.8
224.01921	2.7
240.06612	1.2
249.06587	1.1
253.05971	1.2
264.06427	1.2
270.07840	0.6
282.07605	13.1
283.08032	0.8
292.06064	2.1
295.07248	1.8
305.05493	3.8
310.07080	27.8
311.07578	1.3
323.06604	9.2
399.13565	0.8
409.11658	1.6
427.12878	100.0
428.13229	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	427.1368
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
56.96565	4.1
57.03363	1.4
70.06583	3.9
70.49838	2.1
79.89017	1.4
94.99479	1.4
98.97596	4.8
139.00655	1.5
149.14986	1.5
193.05367	3.6
203.12701	1.5
204.67326	1.5
205.05409	1.5
211.06435	3.4
223.06409	9.6
241.07445	1.6
247.06429	3.3
265.07541	4.9
268.99881	1.4
283.08490	2.7
345.26517	1.5
367.10605	6.6
427.13138	100.0
428.13037	6.9
443.99994	1.4
447.49570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18174	0.2
57.04548	0.5
69.24801	1.2
70.06586	0.5
73.96435	0.2
77.63467	0.3
78.81376	0.2
83.53241	0.2
94.04052	1.5
123.06683	1.0
150.07742	100.0
151.08185	1.8
218.11847	0.3
264.72433	0.2
273.00150	0.3
282.12103	0.9
291.01248	0.4
295.11484	19.3
296.11731	0.7
451.11191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01865	2.6
55.05510	15.6
57.03445	3.3
61.02916	1.5
67.05495	3.8
67.16833	1.2
67.21581	1.2
69.03432	14.4
70.06590	13.3
71.04990	12.5
72.08155	6.3
73.02891	1.5
79.05496	3.3
81.03419	13.8
83.04980	100.0
84.05323	1.8
85.02903	23.6
85.03404	1.4
91.05476	5.1
93.07037	2.2
95.04980	4.4
97.02914	10.2
98.23515	3.1
99.04468	3.3
103.05470	2.0
105.07080	2.5
105.73545	1.3
107.08584	2.5
109.02883	2.7
110.09679	3.9
111.04439	42.1
112.08723	2.7
113.07134	1.9
119.04932	2.8
121.06512	5.0
123.04475	1.8
125.09613	8.1
126.95373	1.3
127.03894	7.5
129.05463	10.0
131.04936	3.0
133.06516	2.6
135.05528	2.4
137.05966	17.7
143.08583	1.4
145.04935	3.6
145.06485	2.5
147.04396	4.7
149.05977	8.8
150.07745	28.7
150.08871	2.4
150.40340	1.3
151.03903	5.1
151.05084	2.2
151.07552	3.0
153.07030	1.8
153.42012	1.5
155.11754	2.4
157.06525	1.6
161.06003	6.3
163.03896	2.3
165.05504	12.3
167.07022	6.6
169.06522	1.3
173.05908	1.8
175.07535	4.2
177.05518	2.1
179.07043	4.4
185.05966	2.6
187.07521	3.0
189.05530	3.3
191.07040	3.2
195.19597	1.5
196.16954	2.9
199.07622	2.3
203.06955	7.0
203.12740	2.0
207.06555	3.3
213.19600	3.0
221.08054	4.3
229.08827	2.7
229.19142	1.4
233.08147	5.6
245.08131	3.8
247.03574	1.6
247.09644	8.1
255.08675	5.4
263.09079	4.0
265.10730	4.6
273.09683	2.0
281.10187	9.2
295.11530	6.4
344.25461	10.3
347.08237	4.6
391.13867	2.0
427.11310	10.4
427.16699	3.2
427.29401	2.4
445.07349	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01876	0.7
55.05511	1.2
57.03426	0.7
58.56801	0.4
61.70780	0.4
61.97813	0.4
65.03940	2.1
67.05502	1.6
69.03429	1.4
69.07066	0.8
69.68135	1.5
70.06591	9.4
70.31535	0.4
72.08176	0.4
72.70494	0.4
74.63187	0.4
77.03942	0.4
79.05492	1.0
81.03426	2.5
81.07057	5.4
83.04972	1.1
84.08151	0.5
85.02895	1.5
91.05420	0.4
93.03395	1.1
95.04963	2.0
97.02879	1.3
97.06533	4.2
98.97592	0.4
99.04462	0.5
99.08095	1.8
105.04527	0.7
106.06534	0.4
106.33430	0.4
107.05021	0.5
107.06064	0.9
108.02090	2.6
109.02872	1.3
111.04438	2.0
112.07538	0.4
112.08722	2.1
112.11289	0.5
115.07575	3.1
117.09137	0.9
119.06073	1.0
121.03959	0.6
125.05981	1.3
127.03918	0.6
127.07502	0.5
129.13889	1.2
131.04948	0.8
133.03978	0.5
135.04517	0.4
136.01627	0.4
141.05440	2.6
147.04457	0.6
147.05554	1.1
151.03908	100.0
151.05006	9.3
152.04242	2.2
155.07022	0.6
161.03482	0.4
169.04979	3.1
169.06461	1.3
175.05087	1.4
179.03368	3.1
181.04877	0.5
187.03949	0.5
201.09187	0.5
203.04489	3.7
223.09683	0.7
231.04004	17.4
232.04276	0.7
237.85072	0.4
249.05232	0.7
259.03506	9.3
259.11703	0.7
272.09113	0.6
284.12646	0.4
291.06134	0.7
295.08160	3.7
298.14362	2.7
299.14740	2.5
313.09256	0.9
321.08701	8.7
322.08994	1.3
349.08206	2.4
355.19998	0.5
367.09201	4.7
367.21039	1.1
377.07883	0.7
395.08728	8.8
396.08786	0.6
409.14874	0.8
426.27502	1.0
427.11209	4.6
427.15829	0.5
427.27582	1.3
428.11401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04307	3.1
70.06573	15.3
81.19772	3.0
86.09706	4.9
94.51360	2.7
98.97573	5.4
110.07144	3.6
110.97528	3.0
116.07140	3.6
116.98631	3.7
123.04388	3.2
124.03933	6.0
133.90466	3.2
147.04475	3.9
147.07620	3.1
169.12097	3.4
180.45381	2.9
182.08054	3.1
192.04060	8.4
312.09735	4.1
383.13055	4.6
427.17288	100.0
428.17712	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	427.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62911	6.3
69.18198	26.5
69.18614	17.0
71.08623	10.3
93.06992	8.4
95.04938	9.3
98.23476	9.7
121.06474	7.8
124.03933	12.8
124.72243	6.9
125.04234	8.2
157.10104	9.0
173.13313	10.7
297.67575	8.5
394.59079	8.0
427.26044	100.0
428.26450	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	427.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50475	0.2
58.56103	0.2
69.53149	0.6
81.25542	0.2
82.43270	0.2
117.04833	0.5
155.87567	0.2
273.04272	0.2
353.23001	0.4
427.26633	100.0
428.26987	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	427.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67146	0.4
56.20093	0.4
59.89595	0.4
63.53725	0.3
69.62154	1.4
75.77265	0.4
77.76068	0.4
82.90449	0.4
92.64285	0.4
98.23398	0.5
110.92494	0.4
300.13409	0.4
335.30750	0.5
427.26648	100.0
428.26984	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	427.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28966	0.4
69.25697	1.4
70.87675	0.3
79.05501	0.3
81.07052	0.6
95.08604	0.4
96.04480	0.4
98.22651	0.5
105.03179	0.5
109.10114	0.4
121.17190	0.4
124.03937	5.0
125.04300	0.4
130.06516	4.3
133.10185	0.4
185.07077	0.4
190.01285	0.6
193.07626	1.1
208.02434	1.2
221.07132	0.5
261.06870	0.5
289.05981	1.8
307.07080	1.8
309.11807	0.5
409.27045	0.6
427.12997	3.5
427.28168	100.0
428.28488	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	427.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70504	0.7
81.07051	0.4
86.79285	0.3
91.05495	0.5
95.08648	0.4
104.18665	0.3
106.03914	0.4
111.46358	0.5
124.03957	1.6
138.37822	0.3
145.10081	0.4
148.90572	0.4
351.18234	0.5
359.88904	0.4
427.28168	100.0
428.28577	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09800	0.4
70.28023	0.6
70.28364	0.9
70.30371	0.4
81.07053	0.7
93.07046	0.6
105.07072	0.5
109.10168	0.5
124.03919	1.5
125.27431	0.4
135.17484	0.4
206.92105	0.5
341.20828	1.3
341.69785	0.4
409.27487	2.5
427.28156	100.0
428.28510	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	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.4
57.07065	4.3
67.05500	3.5
69.07063	25.6
70.96740	1.7
71.08650	1.9
71.09451	2.1
79.05447	1.6
81.07050	8.0
83.08633	7.2
95.08606	5.9
97.10168	7.0
107.08659	2.7
108.16221	1.7
109.10150	5.4
111.11697	3.7
119.10110	1.7
121.10167	2.7
135.08069	2.0
135.11667	1.8
137.09615	7.4
137.13307	1.8
149.09584	8.7
163.11176	5.2
165.09106	100.0
166.09348	2.3
172.84718	1.9
175.11131	2.2
177.09123	6.4
191.10645	5.5
203.10654	6.1
205.12222	15.1
211.61186	1.8
219.13823	3.2
231.13847	2.4
345.27625	2.2
427.35706	16.4
428.36307	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	428.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01899	2.1
54.03456	1.6
55.01867	4.4
60.05605	1.4
61.02917	1.5
68.99803	4.3
69.26730	7.5
70.02940	1.4
70.06592	4.8
71.01328	1.3
73.02918	2.0
75.05520	1.4
79.05483	2.4
79.16178	1.3
82.92471	1.2
85.02888	3.5
87.07960	2.1
91.05490	4.0
92.01368	4.1
92.05756	1.4
92.99749	5.1
94.02941	1.9
95.04996	1.4
96.04473	3.6
97.02895	1.6
98.22713	2.5
103.05460	14.2
104.01370	1.9
110.02467	2.5
111.03153	2.1
122.02378	7.1
123.00780	2.5
124.03938	1.9
127.03924	1.9
130.09749	1.6
131.04921	40.3
136.03905	2.7
138.01837	7.7
140.03439	3.9
148.00276	6.7
150.01860	5.4
152.03447	2.4
153.01773	2.2
160.00314	2.3
162.01881	3.7
164.03432	3.8
166.01399	6.7
167.02133	33.1
168.02907	7.4
175.99823	1.7
176.03397	2.1
178.01338	73.1
179.01956	1.6
180.02908	4.6
185.03206	10.4
186.03947	12.6
188.03447	4.4
190.01291	6.8
191.02022	1.9
192.02892	12.6
194.00864	2.1
196.02417	2.1
204.02954	12.6
206.00854	4.1
206.04440	4.2
208.02455	6.0
212.07159	1.6
216.02911	5.4
218.00870	8.7
218.04451	1.6
220.02336	12.1
222.00352	4.0
223.47975	1.5
225.05478	2.3
228.04933	1.8
231.98804	2.3
232.02397	10.5
234.00414	2.4
234.03824	6.5
236.01938	8.2
238.03490	1.7
244.02452	5.8
246.00323	4.5
248.01926	6.1
249.99744	9.5
250.03413	3.4
252.01358	1.6
257.07947	1.9
260.01938	9.7
262.03336	3.6
264.01318	4.0
268.00854	42.0
268.03827	2.0
270.07608	2.1
271.08328	19.2
272.04233	1.5
272.08984	3.2
278.02966	5.1
281.06747	1.7
282.07593	25.3
282.10590	2.2
294.07761	1.6
296.04034	6.0
306.02414	11.5
322.07031	2.5
324.03461	48.5
324.07681	2.2
324.12115	2.0
325.03677	2.9
326.07034	2.9
336.04999	2.7
336.08588	3.5
338.06589	7.1
338.10223	3.2
340.08099	5.0
348.08508	2.4
350.06583	4.5
352.08328	8.5
354.06061	33.3
354.09869	1.6
364.08112	4.4
380.07657	2.3
382.09171	13.7
400.10110	3.0
410.08655	38.9
411.08948	2.2
428.09732	100.0
429.09900	5.0
429.17688	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	428.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20335	1.1
51.48650	1.1
51.91431	1.4
57.03428	5.5
59.04995	2.3
61.02916	1.3
69.03424	18.4
69.07055	3.0
70.06583	20.4
71.04632	2.0
71.04990	27.0
72.08141	5.5
73.02879	1.4
81.03384	2.3
81.07063	1.7
84.04501	1.7
84.08121	2.2
85.02908	17.5
86.09713	5.8
87.04468	13.0
91.05804	3.6
97.02882	17.1
99.08090	35.6
109.02850	2.2
115.03932	16.3
117.09122	100.0
118.09488	1.3
127.03896	5.0
133.04965	17.6
136.06267	1.2
141.10191	1.9
142.68817	1.1
145.04947	5.2
150.07701	1.4
163.06078	1.7
169.09705	1.6
180.08795	3.3
180.13814	1.5
240.00502	1.4
260.16046	1.7
344.15906	1.3
349.60312	1.2
359.02713	3.7
428.14914	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	428.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19799	0.7
54.59438	0.6
55.05499	2.1
55.36296	0.7
57.07088	0.6
67.05496	4.6
69.03413	1.0
69.07067	5.0
69.09045	5.0
78.03448	6.0
79.05475	2.7
80.05024	4.2
81.07060	8.1
83.08604	1.4
91.05477	2.9
93.07037	5.7
95.04950	1.2
95.08603	8.9
96.04497	3.1
97.06506	1.1
98.23539	1.5
99.68977	0.6
105.07021	5.3
106.02909	13.3
106.76441	0.7
107.08588	6.8
109.06559	0.8
109.10150	7.9
111.11716	1.0
117.07032	0.9
119.08582	5.9
121.10136	4.2
123.08115	0.8
123.11660	3.2
124.03947	100.0
125.04286	2.1
127.33168	0.8
131.08557	1.6
133.10136	3.8
135.11703	3.3
137.09605	1.8
137.13274	2.2
143.08528	0.9
145.10049	3.4
147.11726	3.3
148.99742	4.9
149.13234	3.0
151.11084	1.7
153.81485	0.8
157.10138	1.3
159.11693	1.8
161.13232	2.7
163.11191	1.1
163.14812	1.3
171.11682	1.8
172.16978	0.7
173.13258	2.5
179.14417	0.8
185.13124	0.9
187.14828	2.3
189.16344	2.5
191.17957	2.3
199.14755	1.5
201.16228	0.7
203.17880	1.3
207.17438	2.1
213.16368	1.4
227.17867	1.4
242.97949	8.1
269.22653	2.7
286.14694	1.1
287.23624	1.3
336.84531	0.6
374.14056	0.7
392.26047	1.1
410.26886	22.7
410.32373	1.2
411.27191	2.3
428.23065	1.0
428.27960	6.7
428.33505	1.6
429.18866	9.7
429.29697	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	428.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
57.07050	0.4
67.05506	2.0
69.07050	0.9
69.13884	1.3
69.14304	0.8
71.97704	0.3
78.03452	1.1
79.05493	1.6
80.05018	4.4
81.07062	3.5
87.04466	0.3
87.57710	0.3
91.05469	1.9
93.07040	3.1
95.04958	0.5
95.08603	4.4
96.04488	3.5
98.22713	0.7
105.07028	3.7
106.02896	1.4
107.08588	2.8
109.10160	3.2
117.07014	0.3
119.08573	3.2
121.10141	4.2
123.11720	1.1
124.03948	100.0
125.04273	1.6
127.01497	0.3
131.08565	1.5
133.10126	2.3
135.11684	1.9
143.08549	0.6
145.10127	1.8
147.11699	1.9
149.13213	1.7
157.10185	0.7
159.11644	1.4
161.13283	1.9
162.13658	0.4
163.14809	1.1
171.11684	0.6
173.13286	1.3
175.14796	0.9
177.16339	0.6
185.13225	0.6
187.14824	1.2
189.16350	2.1
199.14937	0.8
201.16452	0.5
203.17973	0.7
207.17499	2.0
213.16393	0.9
227.18102	0.5
239.00795	0.3
257.22617	0.7
269.22549	2.1
298.18277	0.4
346.40735	0.3
380.25861	2.1
392.25806	1.4
398.26767	1.7
410.26855	3.6
411.26825	0.4
428.27887	3.5
429.18655	0.5
429.29706	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	428.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.6
51.02380	0.5
55.05514	2.7
57.07068	1.0
61.33071	0.5
67.05499	6.2
69.03421	0.8
69.07072	4.7
71.59481	0.6
78.03440	5.4
79.05491	2.9
80.05019	5.3
81.07055	8.8
83.08606	1.8
86.36492	0.5
91.05461	3.6
93.07042	6.2
95.04953	0.9
95.08607	9.5
96.04496	3.7
97.06481	0.9
105.07030	6.1
106.02912	10.9
107.08586	7.7
109.09515	0.8
109.10164	7.4
111.11726	1.6
117.07017	1.1
119.08574	5.9
121.10129	5.0
123.08078	1.1
123.11678	3.2
124.03944	100.0
125.04266	2.3
131.08562	2.4
133.10095	4.2
135.11691	3.9
137.09634	1.9
137.13223	2.3
143.08575	1.5
145.10115	2.7
147.11703	3.1
148.12013	0.6
149.13260	2.9
151.11172	2.3
157.10114	1.4
159.11710	3.4
161.13295	1.9
163.14810	1.2
171.11667	1.4
173.13239	1.9
175.14801	1.5
177.12703	0.9
185.13289	0.8
187.14813	1.8
189.16374	3.5
191.18027	3.0
199.14841	2.3
201.16423	1.0
203.17993	1.2
204.14697	0.5
207.17358	1.0
210.92502	0.6
211.14877	0.6
213.16423	1.7
227.18019	0.7
243.21086	1.2
269.22635	5.2
287.23672	1.0
392.25604	1.2
410.26862	19.5
411.27283	2.2
428.28040	7.1
428.33356	1.0
429.18918	4.4
429.29636	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	429.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01873	4.5
55.05500	1.1
57.03429	2.2
59.04985	2.6
61.02908	1.2
62.32875	0.9
62.82394	0.9
65.03944	3.9
66.04718	4.6
67.01860	1.2
67.05505	3.2
68.99792	3.3
69.03430	13.4
70.06593	2.4
71.05004	1.1
72.08153	2.9
73.02916	2.5
73.04758	1.7
77.03909	1.3
79.05480	1.8
80.02609	1.1
81.03418	11.8
81.07066	2.7
82.04203	1.2
83.01347	3.9
83.04984	1.9
84.08140	4.9
85.02897	17.7
86.09717	4.6
87.00818	5.9
91.05483	4.4
92.02617	1.3
93.03411	3.1
93.07034	2.8
94.04202	6.4
95.01308	1.7
95.04961	9.5
97.02893	8.4
97.06503	1.0
99.04455	3.7
101.05872	9.9
103.03921	1.4
105.01842	5.9
105.03390	3.6
105.07024	4.3
107.01303	1.2
107.04935	7.4
107.08601	5.5
107.17567	1.0
108.02098	5.2
109.02869	19.1
111.04462	2.5
116.07097	1.3
117.06989	1.5
119.04948	7.5
119.08574	1.9
120.08144	1.0
121.02861	51.0
121.06538	3.4
121.10149	4.2
122.03667	8.8
123.04441	4.6
127.03910	15.8
127.12302	2.8
128.06282	1.0
128.32834	1.1
129.01813	1.4
133.02861	3.9
135.04448	2.2
135.11696	1.8
136.01500	1.1
137.02361	1.7
137.06015	1.3
139.03885	1.7
145.02864	1.6
145.04974	4.9
145.10114	4.5
147.00815	1.5
147.04367	21.2
149.02338	11.1
149.05977	1.1
150.03087	4.7
151.03905	4.4
159.02888	4.6
159.04341	1.7
161.02335	3.2
161.06013	0.9
163.03922	5.7
163.11171	40.2
165.01817	3.3
167.03418	1.3
167.05566	1.8
167.06981	1.1
169.01364	7.9
171.04414	1.5
173.02357	2.7
175.03925	3.2
176.04649	2.5
177.01822	12.4
178.02602	17.5
179.03394	7.8
181.01273	9.3
181.12294	2.5
187.03914	2.2
189.01854	5.1
189.03784	1.5
190.02649	2.7
191.03442	5.3
193.01331	10.6
195.02852	1.7
196.03725	1.4
199.02313	7.4
199.03955	1.2
203.03404	4.3
204.04143	9.4
205.01221	4.9
205.12241	2.0
206.02077	17.7
207.02869	14.3
209.00789	1.3
209.04382	1.1
213.05550	1.5
215.03288	1.7
217.01268	5.7
218.02025	1.4
219.02878	12.4
221.00789	12.2
223.02417	6.1
223.13306	2.8
225.03909	1.6
231.02835	2.6
231.04892	1.9
232.03632	8.3
233.00801	1.5
234.01582	59.2
235.02313	25.8
236.02933	1.7
237.03853	2.0
239.07074	1.3
243.02873	1.7
245.00708	6.2
245.90102	1.0
247.02364	24.6
252.02631	58.0
253.03015	2.0
259.02448	1.3
259.06036	3.2
260.00342	1.2
260.03137	32.7
261.03592	3.1
263.01883	9.6
265.03406	37.6
265.06369	2.0
266.03699	1.6
267.06549	1.5
271.02393	1.4
271.05658	1.2
273.00250	6.7
283.05908	2.4
285.07654	1.6
291.01361	14.7
291.05005	5.4
295.06015	5.0
297.07373	1.4
299.02008	2.4
299.05344	1.8
301.07034	6.0
309.02438	13.0
309.10843	1.0
311.05508	9.2
312.06320	6.9
313.06973	7.1
323.05408	1.0
325.07135	1.8
327.03336	1.6
341.06485	5.3
343.08054	9.9
351.05042	2.3
353.06738	1.5
354.07324	100.0
355.07904	13.6
359.02698	1.6
367.08121	5.6
369.06174	1.2
383.07358	2.8
385.09158	20.7
393.06177	5.3
411.06961	4.7
416.92551	1.3
429.07895	6.9
429.12836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10489	7.0
54.06134	6.7
56.96546	9.0
57.27018	7.2
59.93175	8.1
60.55708	6.8
62.38631	7.0
67.11409	7.6
70.06599	9.1
71.23523	11.0
73.04747	47.9
91.05791	100.0
100.07625	17.6
136.06209	12.3
138.33408	8.0
149.04485	16.3
151.03847	9.3
167.05516	42.7
225.04242	8.0
261.02689	9.9
324.98660	8.1
342.99643	16.0
359.02835	64.9
409.49902	7.9
429.11978	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1179
Annotation	epsilon-Rhodomycinone
Peak:m/z	Relative Intensity
51.09707	0.8
51.86197	0.9
55.01849	1.5
57.03432	1.4
58.23444	0.9
65.03934	1.3
68.99780	13.6
69.03413	3.3
70.06573	1.1
73.02888	1.3
74.85611	0.8
79.05521	0.9
81.03403	3.0
81.07040	1.0
85.02895	9.2
86.09693	2.0
87.00819	3.0
89.03884	1.0
91.05482	2.1
92.99751	6.9
93.07085	1.3
95.04958	3.0
95.40331	1.0
97.02887	3.8
99.04434	1.0
103.05446	1.7
104.99733	1.2
105.01853	3.1
105.07018	1.3
107.04919	1.3
109.02873	2.3
111.04443	1.1
115.05457	1.8
117.03365	1.7
119.04982	1.0
119.08556	1.0
121.02857	4.5
121.06516	1.8
127.03902	5.0
131.04897	2.4
133.06508	1.2
135.00775	1.4
135.04410	11.4
136.98714	1.4
137.02335	28.9
137.03314	1.0
137.35091	0.8
138.47003	0.9
145.04942	1.3
145.06482	1.0
147.04369	5.6
148.03912	4.8
148.05029	1.1
149.05963	2.6
153.01839	1.1
159.04343	2.4
161.02324	16.3
161.05969	1.7
163.03842	1.4
166.04944	1.2
166.99796	4.8
171.04410	3.4
173.02319	14.5
175.03886	1.4
177.05461	1.2
179.03407	7.1
181.01254	6.8
181.06520	1.2
182.99213	2.3
187.03874	1.3
189.01933	1.6
189.05356	1.6
191.03397	1.4
193.04805	1.2
197.02290	1.2
199.02263	1.5
199.03928	2.8
201.01836	6.5
201.05469	1.2
203.03331	5.5
207.02881	4.0
207.06464	1.3
211.13304	1.7
215.03331	6.2
215.06900	1.6
217.04907	4.4
219.02855	3.3
219.06447	1.6
225.64861	1.0
227.03413	3.2
229.01317	2.5
231.04912	1.2
235.06015	3.2
243.02945	3.8
245.04346	1.6
247.02402	7.7
255.02811	5.4
259.06140	1.1
270.05075	1.1
271.02344	72.1
272.02667	4.0
283.10596	3.8
295.05893	1.8
296.09988	1.0
299.01843	10.7
300.02380	1.1
305.07993	2.0
308.06540	1.1
313.10568	1.1
315.04944	44.5
316.05350	3.1
317.02884	100.0
318.03232	6.0
323.05411	6.8
323.09186	5.5
331.04456	3.7
333.07404	3.3
334.08212	2.3
335.09097	2.0
336.06067	1.4
337.07257	1.3
349.10818	1.2
351.08618	8.8
357.09521	1.1
359.02710	1.5
361.06879	4.7
365.10025	1.9
367.11591	1.1
369.10477	2.6
379.08090	21.7
380.08624	1.3
383.11246	2.2
385.08847	1.4
393.09741	4.9
397.09048	4.0
401.12158	2.3
411.10718	28.9
412.10925	2.3
429.11746	14.2
429.16925	1.0
429.20822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
59.04848	2.6
60.05646	6.2
62.04885	0.6
67.01843	1.0
68.99783	1.8
69.72699	2.1
70.02917	0.7
70.06588	17.1
71.04974	1.7
76.21461	0.6
86.07187	3.6
87.07449	0.8
87.07964	8.8
97.47623	0.6
100.00542	0.6
103.05464	1.2
108.13328	0.6
108.97565	0.6
110.02380	1.3
111.03201	1.1
115.22045	0.6
116.07053	2.9
118.06544	1.8
124.03941	1.7
130.06523	20.2
130.09756	10.3
131.04904	2.8
131.05907	0.7
138.01852	7.9
139.00162	0.6
139.02356	0.8
142.06532	0.9
145.07610	1.6
149.02342	0.8
152.03403	17.7
156.06834	0.6
158.06024	1.6
158.09225	8.6
159.10022	1.9
166.01340	10.7
167.02158	8.3
168.02791	1.2
178.01320	1.2
180.02898	92.6
181.03242	2.7
181.07642	0.7
183.61334	0.7
184.02411	1.8
185.03177	2.1
185.07094	1.1
190.01279	3.1
192.06503	0.8
193.07542	3.3
198.03911	4.6
205.07617	1.0
208.02422	6.5
220.06044	5.8
221.07013	1.0
225.05482	3.4
242.08127	2.5
261.06650	4.2
265.06204	0.8
270.07581	8.8
271.08255	2.3
272.09259	1.0
279.07706	1.8
284.09143	100.0
285.09485	6.2
289.06003	8.4
294.07593	1.2
307.07056	4.4
324.12317	6.4
349.91101	0.7
370.12784	2.0
411.07843	1.5
411.13284	28.5
412.13977	4.1
429.18250	17.0
430.18140	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	429.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29642	0.5
59.04801	4.1
60.05581	7.3
60.05916	1.2
63.26933	0.5
64.45290	0.5
68.04949	0.6
69.05951	3.8
70.06522	23.0
70.06936	1.7
71.04978	3.2
72.08101	0.9
73.06367	0.8
86.07185	5.6
87.07976	13.1
87.92472	0.5
88.07558	0.5
95.04880	0.8
95.06022	0.7
98.06039	0.8
103.05469	13.8
112.08654	2.2
113.07119	0.6
114.10249	1.1
115.05462	1.2
116.07100	4.5
118.06554	5.2
119.06845	0.8
129.06967	0.8
130.06525	62.4
130.09760	15.8
131.04919	41.6
131.06856	2.5
132.05246	1.0
134.20041	0.5
138.01805	0.9
142.06480	1.4
143.07260	0.6
144.08073	3.8
146.05994	7.9
150.01834	0.9
151.07541	1.0
154.06534	1.0
156.02989	0.8
156.08083	7.5
158.09256	13.4
159.10085	3.3
166.06459	0.6
167.02167	3.6
168.02896	2.5
168.06810	1.0
168.08127	1.3
169.07608	23.4
170.06044	1.2
170.07964	0.6
171.09169	5.7
173.06018	0.7
178.01308	0.8
180.02882	0.5
180.08102	0.6
181.07544	2.6
183.09160	5.8
184.07526	1.5
185.03232	1.1
185.07109	2.7
185.10724	0.8
185.54051	0.6
188.07050	6.1
191.10674	0.9
192.06621	1.0
194.06052	1.5
195.09213	1.3
197.07143	8.6
198.05511	0.5
198.07466	0.6
202.02286	0.5
209.07114	2.3
211.08691	4.6
213.06639	0.7
215.08189	100.0
216.08530	4.4
220.06042	12.2
220.08060	1.0
221.06796	0.7
222.07607	0.6
227.08081	0.8
229.09677	3.8
235.08701	1.4
237.06665	1.7
237.10246	0.9
241.67140	0.5
242.08139	1.2
251.08302	0.5
252.06622	1.8
253.09850	0.7
255.07738	1.8
257.09106	2.8
261.06644	1.6
262.05106	0.8
263.08243	1.4
270.07666	4.2
271.08441	1.4
279.07645	4.2
279.10089	0.6
281.09274	2.8
281.12100	0.5
283.07541	0.7
284.48596	0.7
297.08777	2.7
299.10352	3.1
307.07211	1.4
308.05576	0.7
315.10004	0.9
324.12274	11.1
325.08206	15.9
343.09619	1.6
356.12704	2.6
359.02823	0.7
370.12778	3.4
374.10065	0.5
387.13593	0.7
404.00778	0.5
411.17532	0.9
412.15057	3.3
429.18106	31.9
430.18161	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	429.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71761	0.7
54.35512	0.8
55.05520	0.8
59.04864	12.7
60.05354	1.4
60.05648	23.9
68.05004	1.0
70.06590	73.1
70.08157	1.9
71.04993	10.5
72.05627	2.1
72.08157	4.1
73.04755	1.0
73.06435	0.9
84.04495	0.9
84.75994	0.7
85.07690	1.2
86.06071	0.9
86.07188	15.9
87.07973	35.1
88.07626	1.5
91.05829	1.2
95.06101	1.1
97.07655	1.8
98.06081	1.2
100.07632	1.7
103.05486	2.6
111.05540	1.0
112.08694	4.4
113.07111	2.0
114.10307	3.0
116.07087	13.7
119.06944	1.8
122.84531	0.9
130.06642	0.9
130.09761	41.6
131.04933	9.5
137.85292	1.0
158.09250	33.1
159.10043	10.0
160.10800	1.2
167.02110	7.7
167.03317	1.1
168.02930	3.7
171.04440	0.9
178.01317	0.9
185.03087	3.8
191.03535	1.2
192.06477	2.5
195.02863	1.6
198.02342	1.0
200.67651	0.9
204.29849	0.9
208.00743	1.1
209.04565	0.9
219.02884	1.2
220.06052	34.9
222.07619	3.1
225.05873	0.9
226.01744	2.9
238.07170	1.1
245.05560	0.9
248.05556	1.0
265.08493	1.1
266.06619	2.1
271.08459	3.6
272.09116	1.6
281.08032	2.2
291.06271	1.1
293.08063	1.7
298.10916	0.9
312.07092	1.6
324.12289	32.7
325.12469	1.4
326.08475	2.3
326.14084	1.5
349.11710	1.1
351.13422	0.9
353.09970	1.0
354.07880	1.2
366.13651	1.3
370.12854	10.4
384.14575	1.1
395.12436	2.3
411.16858	3.9
412.15121	8.1
429.17685	100.0
430.17099	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04858	13.3
60.05641	22.6
60.15330	0.7
61.86653	0.8
68.05015	0.8
69.43873	1.8
69.44288	2.1
70.06583	74.6
71.04982	10.8
72.05640	1.0
72.08140	2.8
73.06432	0.9
77.53116	0.8
85.07655	1.3
86.07179	19.4
87.07963	44.5
88.07632	1.6
95.06091	1.9
97.07664	2.5
98.06045	2.2
99.04439	0.8
111.03200	0.9
112.08710	6.3
113.07109	1.6
114.10291	3.2
116.07074	13.6
119.06812	1.0
130.09746	47.5
131.04964	1.1
141.06479	0.9
148.07257	0.7
158.09230	32.6
159.10013	11.1
166.01312	1.3
167.02138	10.9
168.02959	1.8
178.01373	0.9
185.03215	2.8
192.06572	2.2
220.03853	1.9
220.06020	38.6
222.07642	1.5
238.07076	1.4
245.05684	1.0
262.12170	0.8
271.08340	2.8
272.09109	1.1
291.06055	2.0
295.04483	0.8
308.08411	1.0
324.12244	37.3
325.12418	1.4
336.35352	0.8
349.12073	1.3
370.12802	9.4
395.12195	2.0
401.70645	0.9
411.16559	4.2
412.14987	8.8
429.17642	100.0
430.17844	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04855	2.2
60.05649	25.0
68.05035	0.9
69.29900	3.4
70.06589	53.9
71.04987	10.2
71.06903	0.8
71.95782	0.7
72.08151	9.1
74.00305	0.8
80.07944	0.8
81.03410	1.8
86.06067	2.1
86.07188	3.2
87.04442	1.7
87.07978	7.8
88.07630	1.4
96.08150	0.8
97.07656	4.0
98.06004	1.1
103.05444	5.8
112.08712	2.9
113.07137	1.9
114.10285	6.3
116.07088	6.7
124.07585	1.8
130.09755	39.4
131.04921	14.0
135.88663	0.8
148.07605	0.9
149.15356	0.7
154.26714	0.8
158.09258	11.4
159.10033	1.6
164.07040	1.0
167.02164	2.1
168.02945	6.1
176.07097	1.5
177.01857	1.3
180.02905	2.8
184.77380	0.8
192.06541	4.3
195.02962	2.0
204.06525	1.2
220.03865	1.6
220.06035	32.8
222.07599	10.8
245.05547	1.4
248.05553	1.5
253.08615	1.7
262.08249	1.5
263.07001	0.8
266.06598	11.2
272.08978	2.3
279.23026	0.8
280.08148	2.2
281.08121	2.2
282.11276	1.3
291.06171	1.0
308.08997	2.4
324.12280	26.2
325.12512	2.2
326.13931	4.5
351.96930	0.9
370.12799	10.9
411.16916	1.0
412.14740	6.0
429.17667	100.0
430.18021	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	429.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04866	12.8
60.05654	25.6
63.57735	0.9
66.72222	0.9
68.05026	1.5
70.06595	74.9
71.04996	9.0
71.43233	1.0
72.08151	2.1
73.06367	1.1
80.05013	1.0
82.06579	1.5
86.07195	17.0
87.07977	42.0
88.07646	2.2
95.06067	1.4
98.06013	1.8
98.58826	1.0
103.05470	2.8
105.07025	1.2
105.16032	1.0
112.08746	7.0
113.07169	1.6
114.10294	1.9
116.07097	13.7
118.06512	1.4
119.06888	2.4
130.06519	10.6
130.09763	44.4
131.04932	3.0
146.05981	1.7
149.02338	11.5
158.09262	35.2
159.10022	10.8
160.10808	1.8
167.02141	9.2
168.02921	2.7
178.01331	1.8
185.03162	3.6
188.07071	1.8
192.06476	2.3
193.05014	9.1
220.06049	31.9
221.06322	1.7
222.07571	1.4
237.07500	2.3
245.05496	1.3
271.08365	2.9
272.09140	1.9
290.07703	1.7
291.06189	1.7
324.12317	40.4
325.04459	2.1
325.12399	2.2
334.56442	1.1
359.07565	1.6
370.12799	9.4
385.09265	3.3
395.12241	2.6
411.16553	4.6
412.15143	8.6
429.11807	12.3
429.17639	100.0
430.12259	2.0
430.17911	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74308	0.9
55.88538	0.9
59.04605	1.3
59.04869	11.2
60.05647	22.1
62.10022	1.0
70.04919	2.1
70.05260	1.4
70.06590	72.3
71.04988	7.2
72.08140	2.1
73.06990	1.0
85.07684	1.8
86.07185	18.5
87.07976	41.1
95.06091	1.7
97.07677	1.7
98.06043	1.2
110.06046	1.2
112.08743	6.1
114.10306	2.8
116.07092	13.4
130.09760	47.0
158.07933	1.8
158.09248	37.6
159.10043	10.5
167.02161	10.1
168.02841	1.8
178.01419	2.3
180.02850	1.1
185.03165	2.1
192.06558	1.7
212.51503	1.1
220.06039	35.0
232.34862	1.0
271.08484	3.9
277.47021	1.1
324.12271	36.2
325.12341	2.0
370.12802	10.2
378.84470	1.1
395.12570	1.9
411.16736	4.1
411.32974	1.0
412.14819	6.2
429.17679	100.0
430.17975	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68307	0.7
59.04866	12.7
60.05355	1.0
60.05647	21.3
68.89471	0.6
70.06589	69.1
71.04990	9.0
71.06905	1.3
72.05637	1.6
72.08144	2.1
73.06392	0.9
75.42622	0.5
82.06566	0.7
85.07661	1.7
86.07182	15.3
87.07970	39.9
88.07635	1.5
88.08317	1.0
95.06080	2.2
98.06052	1.6
99.04463	1.0
100.07578	0.9
112.08730	5.2
113.07123	0.8
114.10308	2.7
116.07090	11.3
119.06947	1.4
130.09758	40.7
131.04944	2.1
139.02629	0.7
140.08250	0.7
149.02348	0.7
153.78014	0.7
158.09238	32.0
159.10023	9.6
160.10757	1.0
167.02132	9.3
168.02930	2.6
170.68170	0.6
178.01353	1.4
185.03133	3.3
192.06578	1.8
193.04950	0.8
205.28571	0.6
220.06032	29.7
221.06442	0.9
222.07579	1.1
245.05588	0.9
267.09061	0.7
271.08414	3.7
272.09015	1.6
291.05972	1.2
308.08783	0.9
324.12280	30.6
325.12015	1.3
326.04294	0.7
349.11865	0.8
370.12915	10.4
395.12299	2.2
411.16666	4.8
412.15079	8.3
429.17679	100.0
430.10693	1.4
430.17886	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	429.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
55.05513	8.7
57.07074	1.3
67.05501	1.5
69.03436	2.3
69.07070	100.0
70.06586	3.2
81.03426	1.5
83.01415	1.1
85.02905	6.1
85.83188	1.2
91.05798	2.2
93.00110	1.6
97.02908	1.5
102.98534	1.4
104.10738	1.4
105.07024	3.0
111.05611	1.1
111.11722	13.8
120.99576	10.1
127.03938	1.5
133.06494	3.8
137.06004	2.9
151.03902	3.2
161.09973	3.1
165.09145	2.7
165.60718	1.3
169.90347	1.2
178.94373	1.1
181.48405	1.1
220.91315	1.0
249.11584	28.2
267.12628	49.5
324.12573	1.1
359.02737	2.6
411.11383	1.5
430.15869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1889
Annotation	Trp Ser His
Peak:m/z	Relative Intensity
53.99163	0.4
54.57913	0.4
59.04861	2.6
59.77245	0.4
60.05646	4.9
69.63042	1.8
70.06591	17.0
71.04990	2.4
72.08149	0.5
77.94640	0.4
81.03401	0.5
81.46141	0.5
84.22388	0.4
86.07191	4.1
87.07971	8.8
87.31875	0.4
95.06110	0.5
97.07662	0.5
98.06071	0.5
105.81081	0.4
112.08741	1.5
114.10296	0.8
116.07082	3.2
117.07062	0.5
130.09766	8.5
131.04912	0.8
158.09242	7.4
159.10068	1.9
160.10762	0.5
164.62790	0.5
167.02171	2.0
168.02946	0.7
185.03215	0.7
192.06563	0.6
216.53314	0.5
220.06032	7.4
271.08429	1.0
272.09146	0.6
291.06113	0.5
323.16113	1.5
324.12308	8.5
324.15866	0.8
325.12619	0.8
369.16669	3.2
370.12900	1.6
411.16690	0.7
412.14975	1.3
429.18692	100.0
430.18970	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	429.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01880	1.4
55.05505	3.5
55.19262	1.1
56.05027	1.8
57.01584	1.0
57.07088	2.7
59.04993	2.0
67.05497	4.8
68.04713	1.4
68.05031	16.9
69.03433	2.9
69.07058	4.5
69.14192	2.3
69.14605	4.8
69.76718	1.1
70.06593	3.0
73.04772	2.1
74.02468	1.2
79.05489	15.2
80.04968	1.3
81.03407	1.5
81.07056	7.9
81.40684	1.3
82.06571	1.9
83.08666	1.2
84.04500	50.2
84.08160	1.4
85.02901	12.2
85.06521	1.8
86.06058	2.6
87.00804	1.5
91.05447	20.3
93.07041	15.6
94.06551	8.5
95.04974	5.5
95.08107	1.1
95.08614	7.6
96.08128	3.4
97.02889	3.4
98.06038	1.6
99.04431	1.5
101.07128	11.9
102.05535	3.3
103.05444	1.6
104.25629	1.2
105.01877	2.4
105.04511	1.4
105.07029	24.4
107.04900	1.4
107.08572	15.2
108.08144	8.5
109.02861	1.6
109.10117	6.0
110.06068	1.3
110.09699	1.3
111.04504	1.1
111.05549	4.3
112.03980	1.3
114.05504	10.4
115.05427	2.3
117.07004	9.5
119.04919	1.5
119.08576	29.2
120.08056	1.4
120.71056	1.1
121.02831	2.9
121.10136	7.4
127.03946	3.9
128.06212	3.9
129.07014	4.8
130.04993	60.1
130.07745	3.0
131.08566	22.1
132.08058	2.8
133.10129	15.6
134.06009	2.1
134.09650	5.5
135.08043	4.9
135.11679	2.9
136.07579	5.0
139.04990	1.8
141.07034	2.1
142.04996	4.1
142.07710	5.7
143.08548	11.0
144.08058	2.2
144.09274	2.3
145.04980	2.6
145.08969	2.0
145.10110	17.6
146.09598	2.5
147.04404	3.8
147.07631	14.9
147.11676	5.9
154.08684	1.3
155.08565	3.0
156.08076	1.3
156.09340	2.8
157.06090	11.0
157.10139	14.1
158.09665	1.7
158.10872	4.3
159.07710	2.9
159.11690	7.3
160.11224	2.8
162.09184	3.1
167.05521	2.1
167.08591	3.4
168.09433	3.5
169.10121	5.0
170.10887	2.4
171.11690	8.2
173.13249	20.2
174.09160	2.8
175.14799	2.0
179.08577	2.8
180.09322	1.7
181.10167	4.7
182.08112	13.8
182.10805	2.3
183.11653	11.4
184.12553	1.5
185.09601	1.5
185.13249	8.4
187.14795	2.0
191.14252	3.4
192.13904	1.4
193.10191	2.5
194.10869	5.9
195.11717	5.5
197.13263	4.6
199.10843	4.0
199.14824	5.1
202.12354	2.3
203.12564	1.3
207.11716	1.7
207.36012	1.2
208.09731	4.1
208.12488	1.9
209.13228	14.1
210.14058	1.4
211.14864	1.6
220.09698	2.5
223.10898	1.3
223.14915	5.2
224.15489	3.0
225.16455	1.2
227.14270	2.0
235.14899	3.3
237.16125	1.4
239.18005	2.1
244.16963	1.6
257.19104	1.7
265.19531	10.5
283.20444	6.5
299.22327	1.5
319.20087	2.1
320.18289	1.4
337.21201	48.6
338.21741	3.2
359.02789	1.4
397.09412	1.6
411.26443	4.5
429.11649	4.0
429.27487	100.0
430.27917	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	429.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01880	1.4
55.05505	3.5
55.19262	1.1
56.05027	1.8
57.01584	1.0
57.07088	2.7
59.04993	2.0
67.05497	4.8
68.04713	1.4
68.05031	16.9
69.03433	2.9
69.07058	4.5
69.14192	2.3
69.14605	4.8
69.76718	1.1
70.06593	3.0
73.04772	2.1
74.02468	1.2
79.05489	15.2
80.04968	1.3
81.03407	1.5
81.07056	7.9
81.40684	1.3
82.06571	1.9
83.08666	1.2
84.04500	50.2
84.08160	1.4
85.02901	12.2
85.06521	1.8
86.06058	2.6
87.00804	1.5
91.05447	20.3
93.07041	15.6
94.06551	8.5
95.04974	5.5
95.08107	1.1
95.08614	7.6
96.08128	3.4
97.02889	3.4
98.06038	1.6
99.04431	1.5
101.07128	11.9
102.05535	3.3
103.05444	1.6
104.25629	1.2
105.01877	2.4
105.04511	1.4
105.07029	24.4
107.04900	1.4
107.08572	15.2
108.08144	8.5
109.02861	1.6
109.10117	6.0
110.06068	1.3
110.09699	1.3
111.04504	1.1
111.05549	4.3
112.03980	1.3
114.05504	10.4
115.05427	2.3
117.07004	9.5
119.04919	1.5
119.08576	29.2
120.08056	1.4
120.71056	1.1
121.02831	2.9
121.10136	7.4
127.03946	3.9
128.06212	3.9
129.07014	4.8
130.04993	60.1
130.07745	3.0
131.08566	22.1
132.08058	2.8
133.10129	15.6
134.06009	2.1
134.09650	5.5
135.08043	4.9
135.11679	2.9
136.07579	5.0
139.04990	1.8
141.07034	2.1
142.04996	4.1
142.07710	5.7
143.08548	11.0
144.08058	2.2
144.09274	2.3
145.04980	2.6
145.08969	2.0
145.10110	17.6
146.09598	2.5
147.04404	3.8
147.07631	14.9
147.11676	5.9
154.08684	1.3
155.08565	3.0
156.08076	1.3
156.09340	2.8
157.06090	11.0
157.10139	14.1
158.09665	1.7
158.10872	4.3
159.07710	2.9
159.11690	7.3
160.11224	2.8
162.09184	3.1
167.05521	2.1
167.08591	3.4
168.09433	3.5
169.10121	5.0
170.10887	2.4
171.11690	8.2
173.13249	20.2
174.09160	2.8
175.14799	2.0
179.08577	2.8
180.09322	1.7
181.10167	4.7
182.08112	13.8
182.10805	2.3
183.11653	11.4
184.12553	1.5
185.09601	1.5
185.13249	8.4
187.14795	2.0
191.14252	3.4
192.13904	1.4
193.10191	2.5
194.10869	5.9
195.11717	5.5
197.13263	4.6
199.10843	4.0
199.14824	5.1
202.12354	2.3
203.12564	1.3
207.11716	1.7
207.36012	1.2
208.09731	4.1
208.12488	1.9
209.13228	14.1
210.14058	1.4
211.14864	1.6
220.09698	2.5
223.10898	1.3
223.14915	5.2
224.15489	3.0
225.16455	1.2
227.14270	2.0
235.14899	3.3
237.16125	1.4
239.18005	2.1
244.16963	1.6
257.19104	1.7
265.19531	10.5
283.20444	6.5
299.22327	1.5
319.20087	2.1
320.18289	1.4
337.21201	48.6
338.21741	3.2
359.02789	1.4
397.09412	1.6
411.26443	4.5
429.11649	4.0
429.27487	100.0
430.27917	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	429.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01849	1.9
55.05498	5.2
56.05033	2.4
57.07054	2.2
58.10225	1.4
59.04997	1.9
61.42960	1.5
67.05498	6.7
68.05020	13.3
69.03411	4.3
69.07071	5.7
69.60724	6.1
70.06586	3.7
70.77776	1.4
73.04726	1.7
79.05492	19.0
80.05005	1.5
81.03403	4.1
81.07042	9.6
82.06568	3.1
83.08617	2.3
84.04500	56.7
84.08151	1.5
85.02888	16.9
85.06552	2.9
86.06050	3.2
87.00820	1.6
91.05437	21.2
93.05790	1.9
93.07043	21.1
94.06557	8.1
95.05003	7.3
95.08594	7.5
96.04456	1.6
96.08138	2.5
97.02889	3.3
101.07131	11.8
102.05526	3.8
102.62122	1.3
103.05452	1.4
103.23185	1.4
105.01901	2.4
105.07023	27.4
107.07362	1.6
107.08594	16.2
108.08106	7.6
109.02863	3.4
109.06539	1.8
109.10161	4.5
111.05569	3.5
114.05515	11.4
115.05463	2.7
117.07032	11.7
119.08572	37.5
120.81895	1.5
121.02864	4.3
121.08843	1.9
121.10140	8.0
123.11697	1.7
127.03912	5.9
128.06242	4.6
129.07004	6.0
130.05000	60.3
131.08557	23.3
132.08128	3.6
132.38255	1.5
133.06375	1.4
133.10118	16.3
134.09613	8.6
135.08054	5.2
135.11627	2.5
136.07584	5.5
137.02344	2.7
139.05075	1.9
140.82851	1.6
141.06953	1.9
142.04970	4.3
142.07788	4.8
143.08563	16.1
144.08186	1.8
144.09320	2.9
145.04956	4.1
145.06407	2.1
145.10112	18.5
146.09604	2.0
147.04395	3.1
147.07626	18.1
147.11667	2.3
148.07587	1.8
149.13309	1.6
153.07030	2.3
154.08662	2.1
155.08565	5.5
156.09329	4.2
157.06076	13.2
157.10138	13.7
158.09631	3.1
158.10828	2.6
159.02879	1.9
159.07780	2.4
159.10524	1.5
159.11653	9.3
160.11305	2.9
161.09555	1.9
162.09103	3.0
165.06915	1.9
165.10397	1.6
166.07849	1.7
167.08585	4.6
168.09360	3.9
169.10085	7.2
170.10886	2.5
171.11655	9.4
173.13251	24.5
174.09193	3.4
174.12775	2.4
175.14780	2.6
179.08548	4.5
180.09319	2.4
181.10204	4.2
182.08134	14.1
182.10889	2.5
183.11658	13.0
184.12575	2.0
185.13251	9.5
187.14928	3.9
190.15865	1.8
193.10127	2.7
194.10852	4.1
195.11673	6.2
197.13249	4.1
198.14009	1.6
199.10785	4.3
199.14853	5.2
208.09650	5.0
209.13222	13.8
220.09738	2.9
223.10828	2.9
223.14795	6.3
224.15541	2.0
225.16394	1.9
227.14342	3.2
235.14804	4.0
237.16397	2.2
239.18048	2.5
253.15915	1.8
253.30856	1.5
265.19568	10.3
283.20605	6.6
302.17566	2.7
319.20334	1.9
337.21204	46.9
338.21472	2.8
359.03159	2.1
394.23807	2.1
397.09045	2.9
411.26440	5.7
429.11719	4.5
429.18488	3.5
429.27481	100.0
430.27988	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	429.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11395	5.0
69.11810	10.0
91.05524	2.7
93.07087	2.9
107.08630	2.5
124.03931	4.0
183.43539	2.7
239.18091	2.8
429.29794	100.0
430.30255	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	429.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77700	0.4
58.41122	0.4
59.18914	0.4
62.51863	0.4
66.26146	0.4
69.15797	1.5
69.16216	1.1
74.56055	0.4
130.06325	0.4
232.40916	0.4
286.04971	0.5
291.11267	0.5
314.86179	0.4
354.75244	0.4
429.19629	11.1
429.29733	100.0
430.19537	0.6
430.30093	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	429.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76551	0.5
63.90790	0.5
67.05491	0.8
69.76892	1.7
81.07034	0.5
93.07047	0.6
95.08609	0.7
98.22758	0.9
103.04451	0.5
106.02859	0.5
107.08553	0.6
109.10130	0.6
119.08546	0.9
124.03954	4.1
125.04279	1.0
133.09982	0.5
148.99713	1.9
165.01843	0.6
173.13374	0.5
189.40775	0.5
199.14874	0.5
225.46028	0.5
242.97943	2.0
285.07578	0.6
369.16718	0.8
394.14310	0.6
411.14456	0.7
411.27353	1.5
429.18973	30.7
429.29727	100.0
430.19278	3.7
430.30063	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	429.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63438	0.8
69.63792	0.7
74.46066	0.4
81.42184	0.3
98.23471	0.7
121.13582	0.4
270.31354	0.3
429.18768	6.8
429.29733	100.0
430.19415	0.7
430.30048	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	429.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52809	0.5
71.43292	0.5
79.05475	0.8
81.07050	0.6
81.93685	0.4
83.04984	0.6
93.07008	0.9
95.08579	1.1
105.07024	0.9
107.08606	0.5
109.06490	0.4
109.10165	0.5
112.07587	2.0
113.07938	0.9
119.08577	0.9
124.03935	1.5
124.04926	0.8
145.10162	0.6
149.02342	1.9
150.05284	0.6
154.62651	0.5
193.04959	1.2
213.94333	0.4
215.21753	0.5
243.57463	0.5
254.01273	0.5
315.08548	0.8
319.45734	0.4
327.01709	0.5
341.06683	0.7
369.16519	0.8
429.19379	20.1
429.24854	5.8
429.29703	100.0
430.19382	1.9
430.30148	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	429.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32620	0.5
63.91501	0.6
64.74249	0.5
71.43242	0.5
77.24007	0.6
77.96255	0.5
91.05482	0.7
105.07030	0.8
106.14790	0.5
107.08578	0.7
114.23139	0.5
119.08650	0.7
124.03987	1.1
133.10114	2.1
147.45442	0.5
192.66701	0.5
206.11073	0.5
359.02652	0.7
429.29752	100.0
430.30145	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	429.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77427	0.4
59.17633	0.4
60.40653	0.4
78.17993	0.4
81.07051	0.6
81.97706	0.3
83.14368	0.3
85.45162	0.4
93.07010	0.5
95.04964	0.7
95.08632	0.6
96.16608	0.4
96.25136	0.3
102.66847	0.3
103.52623	0.4
105.07027	0.8
124.03947	1.8
133.10181	0.4
149.02386	0.5
172.79446	0.3
193.05017	0.5
349.16925	1.4
411.28955	0.6
429.29730	100.0
430.30078	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	429.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	51.4
57.03433	4.7
59.09517	4.6
65.03928	4.6
66.45262	4.2
67.05503	33.0
68.13528	4.8
69.07050	15.6
69.22115	30.3
79.05097	4.6
79.05491	33.1
81.07059	68.2
83.04975	100.0
85.06523	7.3
91.05454	41.7
91.59372	4.4
93.07045	63.7
93.96021	4.7
95.04966	34.9
95.08595	74.1
97.06517	13.4
105.07030	89.0
107.08588	56.6
109.06506	16.2
109.10140	28.3
111.08051	9.7
117.07027	19.8
119.08573	75.4
121.06506	5.4
121.10144	48.3
121.37595	4.4
123.08075	15.1
123.11710	10.2
124.03981	25.9
129.07005	12.9
131.08575	41.0
133.10110	41.6
135.08029	5.7
135.11661	19.1
136.21637	4.2
139.11171	7.9
141.07036	6.2
142.07750	6.1
143.08539	21.8
145.10123	44.4
147.11678	27.2
149.09598	11.1
149.13220	11.6
155.08572	7.2
157.10144	24.9
159.11726	38.0
161.09619	6.3
161.13210	12.5
165.12746	13.1
168.09277	6.3
169.10063	12.4
171.11674	19.8
173.13297	14.2
175.11157	7.7
177.12761	5.4
183.11653	11.2
185.13246	13.6
187.14851	14.3
187.80447	5.3
189.16443	6.4
195.11613	6.1
197.13274	12.0
199.14848	15.2
201.16368	6.1
205.15805	6.2
211.14781	8.9
213.16338	16.8
216.08981	5.4
227.17897	6.1
253.19530	12.9
333.25577	5.3
338.74570	5.7
351.26831	9.2
366.13950	4.6
369.27957	15.9
399.70810	4.9
408.50705	6.0
429.18518	5.0
429.30057	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05649	14.4
65.03951	1.1
67.05506	2.0
68.99809	0.7
69.30270	1.9
70.06598	2.1
70.16961	0.5
72.05640	5.4
73.06445	0.6
74.74387	0.4
81.03449	0.9
81.07040	0.4
91.05439	0.5
93.03417	3.1
94.02941	1.8
94.06568	1.5
95.04958	2.4
96.04494	0.8
98.22653	0.9
103.05521	0.7
105.03395	1.3
107.04965	0.7
112.08733	1.1
119.04925	0.6
120.04464	1.9
121.06506	1.1
123.04435	2.5
131.04967	1.7
135.04469	0.9
137.07118	0.7
145.02852	1.1
147.04428	2.8
147.05496	0.6
149.02419	0.6
151.03900	0.5
152.07056	2.0
163.03899	3.2
165.06667	2.0
176.03470	0.9
178.02539	0.5
179.03386	4.4
180.06589	1.7
181.05005	1.3
188.03436	1.0
190.04985	6.5
191.03387	33.6
192.03426	0.7
195.02917	1.4
197.04477	4.9
197.09277	1.8
206.04514	0.6
207.02888	6.6
208.06102	1.7
209.04451	21.2
210.04665	0.6
216.02986	0.7
218.04498	2.3
219.02867	12.7
220.04829	8.4
225.08698	1.1
233.05560	5.1
234.04056	0.7
236.05563	3.0
236.30458	0.6
237.03922	3.3
239.05553	3.4
248.05608	1.8
250.08046	0.9
251.05467	7.6
261.05072	3.4
266.06592	4.8
268.08182	4.4
269.06641	0.9
278.07663	0.6
279.06155	1.0
284.07544	2.2
293.07660	6.8
308.09009	0.8
310.10367	5.9
311.09076	2.9
326.09753	1.6
328.11710	0.8
339.08844	0.5
344.10977	0.7
353.11282	1.3
360.89993	0.5
370.12970	1.3
371.11090	1.3
381.10779	1.4
388.13892	1.4
400.48346	0.5
413.13220	1.1
430.16110	100.0
431.16418	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	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03942	9.2
55.01869	13.1
55.06562	0.5
55.47161	0.7
57.03434	5.9
60.04502	1.5
61.02925	6.2
62.51305	0.6
63.77494	0.6
68.99786	5.4
69.03426	34.7
69.66075	2.3
71.04990	6.0
73.02917	10.3
80.05003	0.7
81.03412	37.2
82.03774	0.7
83.01302	1.3
85.02899	100.0
86.03227	1.5
87.00822	39.0
87.04447	1.0
91.03936	3.3
97.02885	37.9
98.06047	0.9
98.23540	0.7
99.04453	15.7
103.03947	0.7
103.05428	0.6
105.01860	31.7
105.07006	0.9
106.02217	0.7
108.04476	10.2
109.02871	34.4
110.63551	0.6
115.03947	1.5
117.01839	5.2
124.05161	0.6
126.05499	5.4
127.03909	79.4
127.65781	0.6
128.04218	1.1
129.01849	4.8
129.06992	0.9
137.05975	3.8
141.01855	0.6
145.04950	43.7
146.05280	0.8
147.02864	5.0
159.02878	27.6
165.09175	1.7
173.43198	0.6
175.07587	0.8
177.03909	1.3
187.07494	1.2
189.03941	1.2
189.09087	4.9
201.09058	0.8
207.10167	1.3
212.05499	0.7
213.03937	4.0
230.06656	3.6
231.04997	16.4
231.10141	2.1
248.07605	3.9
249.06001	1.2
273.11221	3.0
324.65616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
55.01873	12.8
55.05508	2.6
57.03431	7.5
59.04996	2.6
60.04529	1.4
61.02917	7.0
67.02538	1.1
68.99783	4.5
69.03058	2.4
69.03423	33.3
69.81929	2.6
69.82321	2.2
71.04990	4.9
73.02917	9.3
77.77876	1.1
78.52884	1.2
81.02958	2.5
81.03416	32.3
81.03897	2.0
81.89616	1.1
85.02901	100.0
86.03226	1.8
86.09723	1.5
87.00823	34.4
87.04455	7.8
91.03952	2.8
97.02886	36.8
99.04440	16.1
103.03922	1.7
105.01859	31.2
108.04463	8.6
109.02873	36.2
114.08894	1.1
115.03891	1.4
117.01841	4.4
121.02869	4.8
123.04440	8.7
124.09344	1.4
126.05527	5.6
127.03905	76.5
128.04211	1.8
129.01825	4.8
135.04367	1.3
143.08516	1.6
144.06549	1.6
145.04951	38.5
146.05281	1.4
147.02876	4.3
147.04388	4.0
159.02863	25.3
163.07507	1.4
164.10701	1.2
165.09097	10.6
171.08032	2.1
177.03947	1.6
177.09122	6.6
177.11269	1.1
189.03896	2.1
189.09096	10.9
207.10168	16.2
208.10526	1.6
209.67665	1.3
213.03905	3.8
217.08667	1.5
217.12181	1.9
219.12422	1.4
227.10773	2.2
229.08693	1.6
230.06590	4.6
230.17538	3.1
231.04994	18.1
231.10118	11.7
245.11670	3.2
248.07628	5.8
249.06007	2.4
255.10181	5.8
266.08743	3.2
273.11206	17.4
297.07455	1.5
303.04962	3.6
355.07959	1.5
359.11218	2.1
369.09924	1.8
377.12173	5.0
413.12299	2.5
431.13309	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37988	0.4
72.08131	0.3
86.09678	0.3
87.04463	100.0
88.04810	0.8
89.06026	13.2
95.04987	0.4
97.00700	0.3
97.31705	0.3
121.02886	0.5
131.06999	1.7
133.08598	7.6
160.08725	0.3
177.11237	2.7
214.80908	0.4
219.12247	2.2
221.13927	0.4
271.06082	0.5
413.23926	1.6
430.15417	0.4
434.02875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03425	3.7
59.04996	67.6
59.56464	0.9
59.73445	0.9
65.03936	2.9
68.99799	3.0
69.03419	2.5
69.07060	1.0
70.02913	3.0
70.06581	2.1
72.08152	4.1
78.21403	1.0
81.03397	1.4
84.08127	3.5
85.02894	4.3
86.09706	10.0
87.04453	2.1
91.05453	1.2
93.07046	1.1
97.02898	2.5
98.23437	1.0
101.05907	2.7
111.04439	3.1
113.00131	0.9
117.09122	18.7
121.02856	100.0
121.03902	4.6
121.89777	1.0
122.03192	3.6
123.04414	0.9
124.03954	2.8
127.03941	0.9
129.10236	1.5
135.04372	0.9
135.10162	1.5
137.02299	4.8
149.05937	1.6
151.03902	1.2
163.03838	6.2
167.05399	1.0
175.13281	5.4
177.05402	1.0
181.08517	2.4
191.07013	3.4
201.12418	1.3
219.06541	1.6
229.27202	1.1
231.02879	1.5
249.03891	3.4
251.18533	38.6
252.18936	1.2
255.06517	1.4
255.70207	0.9
261.07431	1.2
268.08112	2.4
271.04794	1.2
301.03452	12.1
301.07028	1.5
319.04733	1.1
325.10126	1.0
337.07220	1.0
381.09656	2.9
386.14874	4.2
399.10721	1.5
413.12097	2.0
430.14023	12.5
431.13733	6.9
431.18567	2.8
431.23071	2.1
443.97949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.097
Annotation	Chrysin 7-glucuronide
Peak:m/z	Relative Intensity
58.22316	0.1
61.94012	0.1
67.01859	0.6
68.99765	0.6
69.00076	0.1
70.06577	0.1
85.02915	0.2
86.52434	0.1
98.22600	0.2
103.05453	0.8
105.03381	0.5
109.02841	0.1
111.00803	0.1
124.36649	0.1
125.02287	0.1
129.01825	0.1
129.03322	0.6
135.90881	0.1
143.12074	0.1
147.04390	0.6
153.01804	4.1
153.06888	0.1
171.02861	0.3
171.04237	0.1
181.06403	0.1
187.07512	0.2
209.05898	0.5
210.28798	0.1
213.05484	0.1
231.06523	0.2
254.05708	0.1
255.06482	100.0
256.06830	5.3
286.94882	0.1
351.08566	0.1
392.80362	0.1
431.09772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
53.03943	6.6
55.01875	4.7
55.05507	0.7
57.03430	1.8
61.02909	2.5
65.03926	3.4
67.05508	5.7
68.99770	1.6
69.03429	12.7
69.07040	1.5
69.72357	0.6
69.72691	1.8
70.06585	1.5
71.04972	2.4
72.08143	4.9
73.02914	3.2
77.03938	3.3
81.02959	1.1
81.03411	14.9
84.04491	2.6
84.08128	3.5
84.32922	0.6
85.02896	18.1
85.03408	1.1
86.09698	22.4
86.17120	0.6
87.00828	9.1
95.04961	74.4
96.05296	0.9
97.02880	18.2
98.23502	0.7
99.04466	5.7
102.05521	1.0
103.03940	1.0
105.01854	4.6
105.04509	9.1
109.02869	16.6
111.04464	0.8
117.01823	1.2
121.02891	0.9
121.03960	0.9
123.04419	75.4
124.04686	1.3
124.90360	0.6
125.02341	2.5
127.03909	16.9
129.01822	1.0
129.10234	1.3
130.04993	2.7
139.03767	0.6
140.04675	21.7
144.06590	0.6
145.01797	0.6
145.04942	6.1
147.02849	1.0
147.04379	1.7
147.07634	2.2
155.07016	44.3
156.07349	0.6
157.13380	0.9
159.02858	3.7
163.03877	0.9
165.05452	0.6
166.24934	0.7
167.07045	2.8
177.05403	0.7
183.06512	100.0
184.06845	3.1
185.12860	1.1
185.16447	2.9
189.03995	1.2
201.08699	0.8
207.06487	0.9
207.93596	0.6
213.03999	0.8
213.15877	1.7
215.13869	0.9
219.13396	1.4
225.07614	1.2
231.04959	2.3
247.12747	1.4
256.82446	0.7
301.03412	1.0
431.13666	2.8
431.18692	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	431.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27408	0.6
53.03942	5.5
55.01870	5.1
55.05468	0.6
57.03416	2.1
61.02913	2.0
62.22935	0.6
65.03943	3.9
66.58697	0.5
67.05502	5.2
68.99786	1.5
69.03426	10.0
69.07047	1.2
70.06574	2.2
71.04969	1.2
71.40646	0.9
72.08158	6.0
72.08535	0.9
73.02900	2.3
77.03909	2.6
79.05465	0.8
79.10752	0.6
80.19166	0.6
81.03417	14.7
84.04483	2.0
84.08140	3.3
85.02406	1.1
85.02904	18.3
86.09702	24.2
87.00833	8.5
87.10007	0.8
95.04964	70.3
96.05299	1.6
97.02888	15.5
99.04443	4.0
102.05531	1.1
103.03953	1.3
105.01881	6.1
105.04507	8.5
109.02880	14.2
111.04483	0.7
111.05553	0.9
117.01871	1.6
121.04029	0.7
123.04424	67.0
123.28712	0.7
124.04752	1.6
125.02329	2.5
127.03907	17.8
129.01813	0.8
129.06599	0.6
129.10214	1.5
130.04980	2.7
139.03923	0.6
140.04677	19.8
145.04930	5.5
147.02841	0.8
147.04402	2.4
147.07657	2.5
155.07019	40.7
156.07388	1.0
157.13368	1.2
159.02913	3.9
163.03914	0.7
165.05394	0.8
167.07054	2.0
173.08096	0.8
181.05003	0.7
183.06520	100.0
184.06868	2.6
185.16560	3.8
185.17996	0.9
186.12640	0.6
189.12262	0.8
189.55112	0.6
192.68053	0.6
211.42638	0.6
213.15993	2.9
219.13353	2.7
225.07547	1.3
231.04884	3.1
247.12947	1.4
263.09235	0.7
269.13580	0.7
301.03180	0.9
369.18625	0.7
430.30396	0.9
431.13989	2.0
431.19312	4.3
459.05481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1326
Annotation	7,4'-Di-O-Methylisomollupentin
Peak:m/z	Relative Intensity
54.26846	1.5
59.58703	1.4
65.03940	3.1
67.05473	1.5
68.16429	1.7
68.99783	5.8
69.03436	3.3
70.17830	3.7
72.08133	2.3
79.05470	2.4
81.03412	2.5
81.07062	2.6
84.08145	1.7
85.02905	2.7
86.09700	3.7
87.04469	2.4
91.05501	3.9
95.04949	3.0
95.08629	1.4
97.02908	2.7
104.20776	1.4
105.07025	3.8
109.06506	1.7
111.04412	3.7
112.86687	1.6
119.04951	3.1
121.02856	65.7
121.03792	3.1
127.03909	2.6
131.04913	2.1
135.04391	3.5
136.04767	1.8
137.02327	25.5
145.02867	3.0
145.06503	2.9
147.04414	6.1
149.05994	2.5
161.02289	2.1
161.09538	1.8
163.03935	6.8
165.05577	2.0
167.03409	2.2
167.10806	1.5
175.07590	1.8
177.05431	1.6
179.03485	3.2
201.05493	1.8
207.06488	3.4
235.06056	2.1
239.07045	1.8
253.08560	3.6
255.06494	7.8
267.06516	6.4
269.08047	2.4
271.05872	2.3
275.08813	1.9
279.10004	2.1
281.08105	1.6
282.08731	1.7
283.06104	4.9
283.09677	10.8
285.07538	6.2
297.07474	5.1
297.11230	7.4
301.31180	1.7
307.09528	8.3
309.07544	4.1
309.11261	2.5
311.09161	6.9
313.07300	3.8
313.10547	2.0
318.03299	1.8
319.03403	4.9
325.10596	4.0
335.08972	5.0
337.07074	3.0
339.08728	3.9
339.12366	2.9
341.10196	9.2
353.10031	5.8
357.09915	3.0
363.08621	3.8
367.11789	4.2
369.09552	14.8
381.09659	17.5
385.12964	11.9
399.10614	6.1
413.12296	29.1
431.13287	100.0
432.13589	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1316
Annotation	8-C-Rhamnosylgenkwanin
Peak:m/z	Relative Intensity
52.76589	0.8
55.05514	0.9
56.59477	1.0
58.96292	0.8
66.31739	0.9
69.03405	1.0
69.82262	1.9
69.82625	1.6
77.84399	0.8
81.03408	1.0
81.07024	1.3
91.05468	1.3
94.66034	0.9
98.97567	5.7
100.02212	1.5
105.07042	1.5
112.99127	0.9
116.98571	0.9
118.40115	0.9
119.08521	1.1
121.02869	3.4
137.02328	2.5
157.10178	1.6
158.99710	1.3
255.06470	0.9
273.15045	1.1
311.09082	1.2
341.10355	1.3
385.12390	1.0
387.14148	13.1
413.12088	2.0
414.17444	1.7
431.13141	100.0
432.13284	4.3
432.18423	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	431.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	3.3
67.01862	23.3
68.99791	17.6
69.17475	14.7
71.04979	3.4
72.52184	2.9
74.06583	2.6
79.05511	6.1
80.31365	2.5
82.00362	2.7
83.04967	3.9
85.02923	2.9
85.33921	2.6
88.27342	2.6
89.06008	3.7
91.05486	7.9
92.99767	4.9
93.07043	3.6
95.04973	5.4
97.02859	2.9
97.06537	4.3
103.05488	3.4
105.07038	12.1
107.04969	6.7
109.06547	3.9
111.04419	2.8
117.07011	4.7
119.04935	14.9
119.08593	3.8
121.02856	90.8
121.06435	4.2
121.10160	3.0
125.06044	5.4
129.06873	2.7
131.04935	13.1
135.04433	12.2
137.02332	6.6
139.00226	4.4
143.07050	3.3
145.02834	22.7
145.06459	7.4
145.10106	8.2
147.04370	5.0
149.05991	7.4
159.04428	5.0
163.03902	49.9
163.11179	20.5
171.04439	3.0
173.05992	6.2
173.09584	5.5
175.07544	6.3
187.03886	15.3
187.11186	3.4
189.05513	3.3
191.07053	4.0
191.10667	6.6
199.07547	4.1
199.12691	2.5
199.50639	2.5
201.05428	21.0
203.07031	3.7
217.08560	20.3
219.06496	35.3
229.04904	14.5
233.11772	6.5
239.07054	4.3
241.04955	5.4
247.06007	34.3
255.06544	7.8
257.04410	28.9
257.06830	3.1
267.06500	5.0
267.10208	5.0
268.07217	2.6
273.03906	36.9
276.07703	3.2
279.06592	3.0
281.07986	3.6
283.06049	6.9
283.09409	4.1
285.03949	23.2
291.10178	11.1
292.07224	3.9
293.07953	8.3
295.09756	3.8
296.15814	2.8
301.03500	4.4
307.06036	8.3
307.09723	7.9
308.06723	7.4
309.07724	5.4
309.11163	32.0
311.05551	12.1
311.08899	3.4
319.09625	29.9
320.06827	5.3
321.07623	3.0
325.06860	3.8
335.09177	33.0
336.09436	4.2
337.10666	81.1
338.11169	4.8
339.08435	3.2
345.07449	5.7
351.12433	4.4
353.10275	5.6
363.08563	53.0
369.09433	6.3
371.11160	22.6
381.09653	100.0
385.12756	4.7
399.10571	19.4
413.12332	56.3
414.12585	4.3
431.13354	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	431.1339
Annotation	Puerarin 4'-methyl ether
Peak:m/z	Relative Intensity
51.83730	1.2
55.90223	1.6
56.26589	1.4
59.04994	2.0
65.03943	2.3
67.01857	18.3
68.99782	13.4
69.03419	1.8
69.26176	4.3
69.26586	4.2
73.02891	1.5
79.05469	5.2
79.77228	1.3
81.07047	2.7
85.02897	1.4
86.09682	1.7
87.04465	3.2
89.06019	3.9
89.23448	1.6
90.88656	1.5
91.05476	3.6
92.99752	6.6
93.07031	2.0
95.04952	5.4
97.02888	2.0
103.05460	2.2
105.07013	7.0
107.04922	4.0
111.04417	2.2
115.05441	3.0
117.07024	4.1
119.04940	10.3
119.08562	1.9
121.02859	100.0
121.06449	2.3
122.03204	2.6
123.04418	2.2
125.05933	2.1
131.04936	8.7
131.08485	1.5
133.06454	4.3
135.04407	7.2
137.02345	18.8
139.00270	4.4
145.02838	21.0
145.06490	6.4
147.04410	3.8
147.08008	1.8
149.02339	2.0
149.06000	6.4
157.06477	1.9
159.04404	6.2
161.02367	1.8
163.03883	40.0
165.05400	2.1
167.03419	2.1
169.01256	1.5
171.04352	1.7
173.05960	8.3
173.09616	2.0
175.03815	2.5
175.07550	4.5
177.05443	2.4
179.07094	2.2
183.04350	1.7
187.03871	13.2
187.07675	2.3
189.05437	2.4
191.07027	6.7
193.05016	2.5
199.03850	1.5
199.07524	4.9
201.05455	14.2
203.06964	3.2
207.06512	5.6
211.03955	2.9
215.10666	1.8
217.05016	2.8
217.08549	15.2
219.06493	32.0
227.03386	1.6
229.04926	12.3
231.02783	1.8
233.11673	2.0
235.06050	4.2
239.03349	3.6
239.07043	4.9
241.04916	2.7
243.06500	3.0
245.04489	3.9
247.05980	24.4
252.07675	1.7
253.08655	2.5
255.06593	8.7
257.04434	27.9
265.08609	2.3
267.06644	7.2
267.10071	5.0
269.08218	2.4
273.03915	30.0
276.07697	2.5
279.06512	4.2
279.10037	2.2
281.08026	3.6
281.11893	2.1
283.06006	6.3
283.09613	8.6
285.03970	17.1
291.10049	7.9
292.07166	1.9
293.07999	5.5
293.11243	2.1
295.06165	2.5
295.09616	5.1
297.07486	4.5
297.10992	1.9
299.05673	1.9
301.03290	3.1
304.07413	2.2
307.05954	9.1
307.09607	11.4
308.06693	10.8
308.10144	2.9
309.07535	3.6
309.11151	29.0
310.11533	3.4
311.05447	10.0
311.09097	4.0
313.07147	2.0
313.10498	1.7
317.08151	2.7
319.09677	22.6
320.06500	1.9
321.07440	3.3
325.06961	5.9
325.10641	4.6
329.09836	2.1
335.09103	29.2
336.09647	2.4
337.10666	69.2
338.11002	6.2
339.08569	3.7
341.10312	9.5
345.07559	4.8
351.12198	4.1
353.10138	10.2
355.08044	3.6
357.09570	2.1
363.08603	47.0
364.09183	2.3
369.09549	19.2
369.13333	2.0
370.09900	2.4
371.11230	32.9
372.11551	3.0
381.09653	98.8
382.09900	5.6
385.12643	7.3
395.11206	5.6
399.10727	38.1
400.11395	2.6
413.12247	59.9
414.12473	3.2
431.13287	20.5
431.18771	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	431.1341
Annotation	7,4'-Di-O-Methylisomollupentin
Peak:m/z	Relative Intensity
52.79123	0.8
53.03934	1.0
54.11037	0.7
55.01889	0.9
57.06564	0.8
67.05485	1.3
68.99783	3.3
69.03441	1.0
71.43079	1.4
79.05482	1.6
81.03413	2.3
91.05482	1.6
93.07050	1.2
95.04965	1.7
97.06535	2.2
105.07025	1.8
107.04944	1.3
107.08555	1.6
109.02848	1.0
117.07010	1.5
119.04945	2.0
121.02869	3.4
127.03924	2.2
128.06261	0.8
128.22205	0.9
129.06892	0.9
135.04424	2.1
137.02344	34.4
137.03410	2.3
137.06033	0.9
144.06546	1.5
145.06493	2.6
147.04396	3.2
149.05975	1.9
151.03865	1.9
159.04407	0.9
161.02367	3.5
163.07497	1.0
165.05545	1.3
168.02927	2.4
173.05995	3.0
175.07634	1.3
177.05386	1.4
179.03432	3.0
189.09056	1.7
191.07057	3.4
193.04961	2.1
199.02284	1.9
201.05426	1.2
209.04424	1.5
219.06555	1.4
229.04916	1.5
233.08031	1.0
234.04033	0.9
235.02380	2.0
247.09659	1.0
251.09282	1.5
255.06538	9.6
265.08429	1.0
267.06592	1.3
268.07422	2.2
269.08105	3.6
271.05917	1.2
275.09122	1.0
281.04718	1.1
281.08099	3.1
282.08905	1.4
283.06064	10.9
283.09671	12.9
284.06702	1.6
285.07623	3.6
293.08118	3.9
294.05988	1.8
295.09616	2.1
296.06754	6.4
297.07477	3.6
297.11221	7.8
298.08420	1.5
299.09073	1.3
307.09570	4.7
309.07593	3.2
311.09094	12.7
313.07193	1.5
313.10712	6.1
323.05356	1.4
325.07187	1.6
325.10742	8.0
328.05557	2.4
329.06665	4.3
335.09265	2.1
337.07138	1.7
339.08588	2.0
340.05759	2.3
341.10193	12.4
343.07962	1.4
343.11691	1.3
353.10190	4.3
357.09601	6.8
357.13437	1.6
367.11740	4.5
369.09717	7.1
371.07190	0.9
381.09778	6.1
385.12747	15.5
386.13217	1.8
399.10577	1.3
413.06940	1.9
413.12332	35.0
414.12665	2.7
416.29251	0.9
431.13361	100.0
432.13586	7.0
432.18445	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	431.1335
Annotation	7,4'-Di-O-Methylisomollupentin
Peak:m/z	Relative Intensity
53.03940	1.8
58.04233	2.3
58.83356	1.8
59.04995	4.4
65.03914	3.6
68.99787	9.0
69.03417	4.5
69.07056	2.5
69.07462	6.5
69.07881	5.8
71.05003	2.7
73.02906	5.5
79.05475	5.1
81.03410	5.2
81.07050	4.1
85.02892	2.9
86.09694	26.4
87.04467	20.7
89.03910	2.0
89.06020	20.3
91.05453	9.8
92.15408	1.6
93.07002	2.9
95.04941	4.4
95.08589	2.5
97.02888	4.8
97.06501	2.5
98.22681	2.7
98.97602	2.4
103.05496	2.6
103.07543	2.4
105.04565	2.3
105.07021	7.5
107.04940	5.7
107.08585	3.2
109.02859	3.8
109.06496	3.0
111.04381	3.5
115.05488	2.4
117.07014	5.3
119.04935	8.0
121.02853	97.1
121.03786	4.3
121.06494	2.5
122.03183	4.4
127.03891	5.8
131.04933	4.0
133.06467	4.0
133.08554	10.0
135.04378	7.0
137.02335	65.1
137.03401	4.8
145.02827	12.4
145.06433	3.1
147.04381	12.5
149.02260	2.4
149.05975	6.0
151.03897	5.4
161.02333	5.1
161.05959	4.6
163.03864	14.4
163.07602	2.5
165.01817	11.5
167.03349	3.5
173.05975	6.3
175.07518	2.5
175.09607	2.4
177.05486	5.7
177.11169	4.8
179.03342	6.5
179.07033	3.1
181.08661	1.8
187.03946	3.2
188.07011	1.8
189.05453	3.7
191.06995	7.9
193.04842	3.3
199.12436	2.0
199.18100	5.3
201.05481	7.5
207.06525	16.9
210.06725	3.7
217.04915	2.7
219.06447	3.8
221.08156	2.5
223.07523	2.5
229.04904	4.4
235.05966	5.2
237.05510	11.2
238.06229	4.3
239.06967	32.5
247.06065	2.0
253.08586	33.0
255.06447	9.7
265.04941	5.3
265.08768	2.1
267.06491	8.1
267.10147	1.7
268.07196	3.3
269.08099	2.7
271.06116	2.4
273.03918	2.2
279.06580	4.3
279.10104	5.4
281.04709	2.0
281.08057	8.3
282.08795	4.2
283.05991	8.3
283.09549	6.9
284.06628	2.0
285.07407	3.4
292.07370	2.0
293.08035	3.4
295.06070	3.9
295.09418	4.2
297.07574	100.0
297.11038	10.2
298.07935	7.4
301.03339	8.7
307.09479	9.9
309.07474	7.7
309.10947	3.8
311.05661	4.3
311.09067	14.2
313.07208	3.6
313.10352	2.9
323.05441	2.2
325.10602	10.5
327.04904	4.5
329.06326	2.1
335.09125	5.9
337.06964	3.9
339.08487	8.3
339.11954	1.9
341.06418	2.7
341.10104	19.0
342.10571	2.1
343.08096	6.1
345.18732	2.3
353.09979	13.4
355.07870	8.3
357.09509	3.9
363.08566	2.6
367.11703	7.0
369.09579	64.6
369.13315	4.8
370.09937	3.8
371.11148	3.4
381.09604	68.0
382.09985	7.0
385.05460	6.6
385.12680	6.5
387.10596	2.5
387.19781	18.0
395.11325	3.0
399.10730	8.2
413.12268	74.3
414.12216	3.9
431.13202	40.1
431.18823	95.4
432.13724	3.1
432.19138	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	431.1336
Annotation	7,4'-Di-O-Methylisomollupentin
Peak:m/z	Relative Intensity
55.72400	0.7
65.03941	2.1
67.05511	0.7
68.99782	3.3
69.03419	0.8
69.07071	0.9
69.11428	4.8
71.04961	0.8
79.05476	1.5
85.02892	1.0
86.09686	6.8
91.05471	2.7
95.04956	1.9
97.70110	0.6
100.00401	0.8
102.97314	0.8
103.05415	1.1
105.07042	1.8
107.04945	2.8
109.06464	0.7
111.04446	2.2
115.05420	1.5
117.07035	0.9
119.04948	4.7
121.02858	68.2
122.03191	1.1
126.46532	0.7
131.04884	1.1
131.08598	0.8
133.06549	1.1
133.97102	0.8
135.04378	1.2
135.08044	0.7
137.02315	4.6
137.06047	0.9
140.69112	0.8
143.04907	0.7
145.02818	3.9
145.06461	1.3
147.04393	7.1
149.05869	1.8
151.03825	1.7
161.02225	0.8
161.05911	1.8
163.03821	3.8
163.07536	1.5
165.01904	1.0
165.05472	2.7
173.05960	0.7
175.03967	1.2
177.05449	0.8
179.07034	0.9
189.05470	2.8
191.07021	2.1
193.04962	0.9
195.06554	7.0
196.66942	0.7
201.05501	1.2
203.07065	1.6
205.08627	0.9
207.02805	0.9
207.06543	2.7
215.07130	0.8
217.04868	1.3
219.06378	1.2
221.04471	1.2
227.06946	1.2
229.04898	0.9
233.08133	0.9
239.07001	4.9
240.07703	1.1
241.08589	2.2
252.07797	2.8
253.08691	1.1
254.05791	2.1
255.06502	25.8
256.07089	2.5
257.04626	1.9
257.08002	1.7
265.08563	2.0
267.06549	6.7
267.10120	2.6
268.07288	2.9
269.04514	6.1
269.07797	3.6
270.05249	4.2
270.08133	1.1
271.05978	38.3
272.06339	1.7
276.07718	1.0
276.16025	0.9
279.06540	2.0
279.09998	1.4
280.07388	0.9
280.11060	0.8
281.04440	5.8
281.08029	2.4
281.11752	2.7
282.08850	3.1
283.06018	7.2
283.09616	6.8
284.06833	2.7
285.07520	13.8
291.10138	1.5
293.08011	3.2
295.06183	1.5
295.09644	1.9
296.06763	2.3
296.10101	0.9
297.07605	3.8
297.11276	3.4
298.08322	4.0
298.11554	0.9
299.05521	4.4
299.09149	7.2
301.03448	0.9
307.06192	1.3
307.09647	5.3
308.06967	1.1
308.10535	1.4
309.04257	0.9
309.07599	2.9
309.11261	4.2
311.05667	1.7
311.09146	6.5
313.10721	9.0
319.09631	1.4
321.07596	2.5
323.09177	1.5
325.07175	1.2
325.10602	6.8
326.11288	2.5
327.08621	3.6
335.09207	2.1
337.07556	5.0
337.10779	4.7
338.11053	1.2
339.08630	18.8
339.12152	1.0
340.08810	1.1
344.12595	5.2
351.08441	1.2
351.12396	1.7
353.10147	8.0
354.10916	18.6
354.15048	1.4
355.08044	3.0
355.11627	2.1
367.11679	2.3
369.09451	1.1
369.13562	1.9
371.11176	5.2
372.12000	31.5
373.12430	2.3
373.58533	0.8
381.09702	3.0
413.12161	9.1
431.13358	100.0
432.13828	6.7
441.21066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1336
Annotation	7,4'-Di-O-Methylisomollupentin
Peak:m/z	Relative Intensity
55.01863	0.7
67.05515	0.5
67.31351	0.3
68.99782	3.1
69.03403	0.7
71.04952	0.5
71.20717	0.3
79.05471	0.9
81.03419	1.1
81.07006	0.4
85.02898	0.7
87.03873	0.4
91.05470	1.4
93.07030	1.1
95.01302	0.5
95.04948	0.9
95.08590	0.6
97.02888	0.6
98.22705	1.5
99.04444	0.7
103.05464	0.7
104.45485	0.4
105.03333	0.3
105.07030	1.3
107.04922	0.5
109.02859	0.5
109.06532	0.7
111.04443	1.0
115.05434	0.7
117.07026	2.2
119.04952	0.9
119.08557	0.8
121.02863	2.9
121.06448	0.3
123.04442	0.5
123.08053	0.4
127.03910	1.7
128.04187	0.5
129.06966	0.6
131.04933	1.0
133.06500	0.5
135.04427	2.8
135.08070	1.0
137.02338	39.8
137.03445	3.0
138.02654	0.8
139.03891	0.5
145.05046	0.4
145.06477	2.1
147.04437	0.6
147.08047	1.3
149.02299	0.7
149.05957	2.5
151.03960	1.3
153.06905	0.5
159.04489	0.6
161.02313	3.6
161.06055	0.4
163.03922	0.6
163.07542	1.6
165.01840	0.7
165.05502	0.9
165.06879	0.6
167.07123	0.4
169.04977	0.8
171.02885	0.4
173.05971	2.7
175.03903	0.5
175.07484	1.7
177.05432	0.8
179.03336	2.4
181.08566	0.5
187.07600	0.8
189.05490	0.4
189.09114	1.3
191.03415	0.4
191.06989	3.1
191.08521	0.4
193.04939	1.4
201.05408	2.5
203.06932	0.4
205.08557	0.8
207.06551	0.6
209.04419	0.5
215.07005	1.2
217.08577	0.7
219.06496	1.4
223.07431	0.3
227.06926	0.7
229.04915	2.4
229.46497	0.4
233.08000	0.8
239.07042	1.2
243.06535	0.7
247.05804	0.4
247.09656	1.5
249.11285	1.2
251.09079	0.6
252.07674	0.5
253.04863	0.5
253.08601	1.1
254.05798	1.1
255.06502	13.5
256.06967	0.9
257.07941	0.5
265.08688	0.7
267.06427	1.9
268.07312	2.6
269.05206	0.6
269.07968	3.7
269.10928	0.4
270.05411	0.4
271.05975	1.7
275.09155	2.5
277.10684	0.4
279.06421	0.6
280.07217	0.8
281.04724	0.6
281.07986	2.9
282.08997	1.8
283.06042	7.2
283.09650	19.2
284.06552	1.1
284.09805	0.9
285.07574	1.3
287.05298	0.5
289.03461	0.5
292.07300	1.1
293.07983	3.1
295.06281	0.8
295.09683	2.6
296.06793	1.0
296.10126	0.6
297.07593	2.7
297.11212	11.4
298.08173	1.1
298.11493	0.8
299.05499	0.8
299.09094	1.0
307.06290	0.8
307.09570	5.3
308.10358	0.7
309.07489	2.2
309.10956	0.6
311.05710	0.8
311.09073	15.4
312.09494	1.6
313.07047	2.9
313.10660	1.6
315.08655	1.2
321.07553	0.6
324.26779	0.4
325.07123	1.1
325.10635	8.4
326.07678	0.6
326.11148	0.6
327.08524	1.1
329.06610	1.4
335.09134	2.5
337.10828	0.5
339.08588	0.9
341.06491	0.7
341.10184	6.1
343.08145	0.9
343.11758	0.5
352.05847	0.5
353.10370	3.4
355.11801	1.1
357.09586	0.8
357.13275	2.3
367.11688	3.9
369.09720	1.2
371.11264	0.5
381.09485	1.8
385.12775	27.8
386.13245	1.2
395.10892	0.5
413.12256	37.3
414.12653	2.6
431.13336	100.0
432.13617	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	431.1339
Annotation	4'-O-Methylpuerarin
Peak:m/z	Relative Intensity
50.88309	0.7
53.03953	0.8
55.01868	1.0
55.05509	1.9
55.08157	0.7
65.03935	2.7
67.05505	15.2
68.99799	3.7
69.03427	1.1
69.07058	4.6
69.71870	0.7
71.04996	4.9
71.34594	0.8
79.01876	1.1
79.05492	2.9
81.03407	1.2
81.07055	2.3
83.01336	1.0
83.04984	1.5
85.02897	1.4
91.05423	3.9
93.07037	2.8
95.04980	2.3
95.08592	1.8
97.02853	1.2
99.08091	10.2
105.07026	4.9
107.01311	1.8
107.04956	1.4
107.08569	1.1
109.10190	1.0
111.04438	1.8
115.05461	2.5
117.06272	0.9
117.06976	4.8
119.04931	5.3
119.08595	1.9
120.30401	0.7
121.02867	32.6
121.03780	1.8
121.06512	2.8
123.04411	1.6
127.03872	0.9
128.06313	1.1
129.07040	1.8
131.04900	2.4
133.06488	1.0
135.00778	2.2
135.08073	1.1
137.02325	1.4
137.05952	1.0
145.02847	6.8
145.06493	4.9
145.10063	0.9
147.04411	2.4
147.08044	1.0
149.02362	3.1
151.03905	6.7
153.01843	2.6
155.04840	1.0
159.04366	0.9
163.03914	5.5
165.05397	1.1
167.03435	3.8
169.01326	2.0
169.06470	1.2
170.69206	0.8
171.04341	1.1
173.05977	5.3
175.07520	2.3
177.05473	1.5
181.06438	1.0
189.05534	1.4
191.03452	1.5
191.07042	3.0
197.06004	3.2
201.05458	3.2
213.05571	1.1
217.04904	1.6
219.06538	2.9
223.07568	2.3
225.05583	0.9
225.62311	0.8
226.06241	0.9
227.06969	2.0
235.05913	1.0
239.07060	5.2
241.05069	1.8
241.08734	0.8
251.07028	5.0
252.07616	1.5
253.04984	7.5
253.08473	1.7
255.06488	6.4
257.04358	1.5
267.06497	10.4
269.04446	1.1
269.08063	2.1
271.05963	2.4
273.03955	7.1
273.08737	0.8
273.96396	0.9
276.07849	2.1
277.08603	32.8
278.09097	2.6
279.06555	2.5
281.08203	1.5
281.11444	1.1
283.06036	2.9
283.09534	1.1
285.03922	1.8
285.07358	0.9
289.08542	1.0
291.10126	8.3
293.11713	53.1
294.12018	2.6
297.04272	1.8
303.06586	1.2
307.06073	1.4
307.09393	1.3
309.07800	1.8
309.11221	6.4
311.05597	1.8
311.09085	1.1
313.07120	1.3
313.10538	1.0
317.08008	1.0
319.09698	10.0
325.10654	1.5
335.09116	3.2
337.10620	5.0
339.08466	1.5
341.10022	1.1
343.11508	1.9
353.10202	3.5
355.08063	1.3
363.08505	1.4
371.11310	1.4
381.09546	4.6
395.11050	0.8
399.10736	65.6
400.11169	5.2
409.05450	0.8
413.12299	100.0
414.12637	8.7
431.13394	9.9
431.20258	8.0
432.18396	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	431.1336
Annotation	7,4'-Di-O-Methylisomollupentin
Peak:m/z	Relative Intensity
50.58088	1.0
57.29203	1.1
65.03936	2.0
68.99785	1.6
69.42876	5.5
72.08128	1.4
79.05495	1.8
81.03391	2.3
84.04504	3.4
85.02905	1.4
86.09690	6.2
87.04472	1.4
91.05423	1.4
95.04957	1.7
98.22700	2.1
107.04963	4.8
110.56600	1.2
111.04491	1.4
119.04928	4.7
121.02863	59.3
123.04398	1.4
127.03907	1.4
130.04955	1.5
133.06471	2.4
137.02330	3.2
145.02858	2.7
145.06419	1.7
147.04413	3.3
147.07707	3.4
147.11755	1.4
149.05997	1.1
161.05948	1.7
162.44579	1.2
163.03931	4.2
163.07640	1.6
165.01880	5.0
167.03499	1.7
183.02887	2.6
189.05388	1.9
191.07059	1.5
196.87694	1.3
198.39183	1.1
207.06483	2.9
232.22133	1.2
239.07014	6.9
241.08665	2.1
242.05711	2.1
252.07747	2.6
253.08571	2.6
254.09285	1.4
255.06519	13.9
255.13875	1.5
256.07080	2.3
265.08667	2.2
266.09552	1.3
267.06729	6.0
267.09930	6.9
268.07263	2.9
269.04428	3.2
269.08124	4.4
270.05237	3.5
271.05963	23.4
277.08691	1.6
279.06711	2.2
279.10208	2.3
281.04507	12.1
281.07721	2.2
281.11624	2.8
282.04651	1.1
282.08801	3.0
283.06012	8.5
283.09628	6.6
284.06546	2.8
285.07544	8.2
291.10117	1.7
293.07932	2.4
295.06189	2.0
295.09619	4.1
297.07544	5.1
297.10855	2.3
299.05545	2.0
299.09189	5.3
306.83215	1.2
307.09729	5.4
309.07837	1.8
309.11243	4.8
311.05905	1.5
311.09036	6.2
313.10568	2.8
315.08414	1.3
319.09665	2.9
325.07312	1.4
325.10489	5.7
327.08667	1.7
335.09158	2.7
337.10660	4.6
339.08539	5.2
339.12326	3.5
344.12491	3.3
351.12250	2.6
353.10236	4.8
354.10898	2.5
356.07864	1.5
367.11630	3.1
369.13681	2.3
371.11267	4.2
372.12003	35.0
373.12363	3.4
381.09711	2.6
395.11246	1.7
399.11099	1.9
413.12463	8.1
431.13345	100.0
432.13629	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	431.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
53.24222	1.6
68.99786	2.9
70.06590	7.0
71.40693	1.8
73.06434	2.8
76.75422	1.8
79.04250	2.0
79.05504	4.1
80.05025	5.5
81.04534	3.2
81.05847	1.8
82.05317	3.9
83.06125	2.1
85.02874	2.9
93.04543	6.9
95.04980	4.0
95.06109	2.5
97.02898	2.7
99.23743	1.6
101.97752	1.7
103.05466	36.0
106.05300	58.4
106.06469	2.5
107.04974	3.5
107.06081	70.1
108.06834	5.7
109.04001	13.5
109.07640	3.2
111.05571	19.4
117.04565	2.0
119.06053	8.8
120.04403	1.8
120.06964	2.0
121.03194	1.9
121.04007	7.1
124.07598	3.5
126.05547	3.3
131.04929	100.0
131.06020	4.7
132.05290	2.4
132.06808	10.1
133.07628	22.1
134.04762	80.4
135.05547	56.1
137.03416	2.3
137.05988	1.9
137.07059	2.1
139.05037	3.2
145.04024	2.5
147.04509	2.3
147.05557	8.2
148.06346	3.2
148.12968	1.6
149.03482	5.7
149.07120	5.7
151.03894	4.8
151.08685	8.2
159.05556	5.6
161.03473	3.1
161.07100	13.3
163.05070	5.2
169.06154	5.2
173.03522	2.6
173.05954	4.0
174.07915	7.9
175.05025	5.3
175.08685	8.8
176.05998	1.9
177.06607	36.1
179.08278	3.6
181.06131	2.3
184.10028	3.7
187.05081	9.8
189.06570	22.5
199.07327	5.2
203.08121	1.9
205.06100	20.3
215.04489	15.5
217.02730	2.2
218.19025	1.8
218.42453	1.7
219.07622	2.3
221.09288	6.4
223.07137	6.5
239.10310	3.1
242.33620	2.0
243.06160	6.4
247.07251	5.1
259.03488	1.8
263.06766	4.0
263.11774	7.0
265.08124	16.6
267.06085	7.9
279.11212	2.8
280.12070	22.1
281.12833	72.8
282.13126	5.2
283.09299	5.8
291.11273	2.1
303.05002	2.1
309.07141	19.0
309.12332	2.0
315.37332	2.2
319.10818	5.6
328.13965	3.1
341.27176	1.9
351.13358	3.3
369.14612	10.4
413.13434	45.5
414.13159	2.1
431.18823	2.2
432.14227	2.2
432.20181	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	431.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
56.05029	1.3
57.03409	0.5
67.01855	2.4
68.99780	7.2
69.03436	1.2
70.06567	0.6
71.42141	0.6
79.01844	2.1
81.03372	0.8
83.01337	39.3
84.04500	35.3
84.08076	0.5
85.02882	1.4
91.05461	1.8
95.01308	0.6
95.16975	0.5
97.02847	1.4
101.07153	3.2
102.05513	1.1
102.79306	0.5
105.03368	0.8
105.07032	1.2
107.01304	2.0
107.05984	0.6
109.03989	0.7
121.06500	11.5
122.06790	0.6
124.03943	1.0
125.02347	1.0
125.04366	0.6
126.05469	0.6
130.04996	52.3
131.04890	1.2
135.00720	1.0
147.07634	64.4
148.07959	1.2
153.01833	7.8
181.01303	86.7
182.01599	1.9
199.02367	95.3
200.02705	2.2
207.07724	0.9
225.08730	1.2
243.06467	1.6
269.07990	0.9
285.07550	100.0
286.07889	5.4
398.22064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
68.99784	3.6
69.14308	3.1
69.50510	12.7
70.06613	5.2
80.05028	7.7
81.03426	2.9
81.04527	7.4
82.05339	3.8
83.06104	3.9
87.82664	3.1
89.06045	4.5
93.04520	5.8
98.85761	3.0
103.05463	35.6
106.05290	69.0
107.06083	84.6
109.03997	11.4
111.05543	19.2
119.06107	8.7
121.02862	6.2
121.03971	6.2
131.04927	100.0
132.06842	13.7
133.07596	9.5
133.08559	4.1
134.04755	76.2
134.05751	5.4
135.05537	72.9
139.05029	4.1
143.66957	2.7
147.05528	5.2
148.06337	5.3
149.03508	5.0
149.07121	3.6
151.08601	4.3
159.05579	4.3
161.03453	3.8
161.07082	8.5
163.04996	4.6
169.06125	3.7
173.06058	5.1
174.07825	7.2
175.05092	4.5
176.05753	4.7
177.06575	33.3
179.08202	3.8
183.16225	2.8
184.09949	3.5
187.05026	5.0
189.06644	13.1
199.07211	5.1
200.19434	3.0
205.06136	17.6
215.04483	6.6
221.09224	4.6
223.07036	5.6
239.10316	3.6
243.06169	5.5
247.07242	4.6
263.11816	8.2
265.08215	12.4
267.06085	6.1
280.12015	26.5
281.07907	4.7
281.12833	75.3
282.13263	4.7
294.15698	3.2
309.07150	22.8
351.13046	4.5
369.14484	10.6
404.48663	2.7
413.13367	39.2
442.56436	3.2
454.94241	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	431.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47104	0.5
55.05494	0.7
59.04962	0.7
61.78598	0.4
69.07041	0.8
69.60177	1.4
70.06580	6.1
72.08149	7.6
77.45635	0.6
84.04511	1.0
84.08141	9.5
84.09497	0.5
85.02895	0.7
85.08481	0.5
86.09700	12.4
88.03989	0.6
91.05778	1.5
91.17281	0.5
96.73832	0.5
98.22707	1.0
98.40479	0.6
102.05553	0.8
103.07582	0.6
103.15656	0.5
116.07092	1.1
118.98990	0.6
121.02837	0.9
129.10237	8.4
130.10658	0.6
136.06155	0.7
137.02362	0.6
148.05991	1.5
151.03874	0.7
157.06145	0.9
167.05479	0.6
175.52730	0.5
175.80292	0.5
183.09900	4.3
183.11275	0.6
185.16524	2.4
211.09323	1.3
213.15958	2.3
219.09801	1.0
219.13371	0.8
229.15359	1.3
242.18678	0.7
245.06276	0.6
253.16501	1.4
289.05276	1.3
317.22290	0.6
345.15173	12.0
346.15436	0.7
368.54883	0.5
369.15219	1.5
387.16220	37.6
388.16492	2.7
413.14368	1.1
430.29977	0.9
431.15176	100.0
431.27573	1.9
432.15439	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	431.204
Annotation	Phe Gln His
Peak:m/z	Relative Intensity
55.05491	0.5
59.04998	0.5
67.05505	0.8
68.99800	0.7
69.03426	3.9
69.83527	0.3
70.55473	0.4
70.55807	0.4
73.02919	0.4
79.05470	0.4
81.03411	0.4
81.07056	0.7
87.04455	1.3
89.06006	0.5
89.97231	0.3
91.05479	1.0
93.07018	0.7
95.04970	0.9
95.08595	0.5
105.07022	0.7
113.05996	1.9
117.06991	0.5
119.04960	0.5
121.02859	6.5
121.03767	0.4
123.04422	0.4
123.62936	0.4
131.04898	0.4
131.08524	0.7
133.06537	0.5
133.10194	0.4
135.04364	0.5
137.02318	1.6
143.08539	0.5
145.10147	0.5
147.04358	1.7
151.03911	0.7
152.98105	0.4
161.02357	0.5
161.58000	0.4
163.03894	0.9
171.11676	0.5
172.80147	0.4
184.95894	0.3
191.07022	0.5
191.10538	0.6
217.04996	1.0
233.04460	0.5
235.05948	0.5
245.04507	0.4
255.06564	0.9
271.05692	0.4
273.03888	3.1
281.07901	0.4
283.06064	0.7
283.09601	0.9
295.06299	0.4
297.11334	0.4
301.03433	1.7
302.04053	0.8
303.04962	0.8
309.07516	1.5
310.08209	0.7
311.09055	1.5
317.96494	0.4
325.07092	0.5
325.10733	0.8
325.17780	2.6
335.08994	0.5
337.07019	0.8
341.10370	0.6
353.10245	1.3
355.08005	1.8
355.11948	0.6
369.09793	1.1
371.11206	0.7
371.18201	3.4
381.09634	5.0
385.12766	1.3
399.10623	3.6
413.12234	4.0
431.13794	6.4
431.20358	100.0
432.14606	0.6
432.20694	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	431.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	53.8
57.07091	7.7
67.05492	37.9
69.03369	6.3
69.07061	29.5
69.71063	21.3
71.88979	6.0
79.05478	40.9
81.07044	90.5
83.04980	100.0
85.44637	5.9
90.93732	6.2
91.05468	56.8
93.07034	67.6
95.04961	61.7
95.08607	61.2
97.06525	10.3
98.23389	7.2
102.66643	6.2
105.07020	88.2
107.08582	72.1
109.06494	24.3
109.10141	41.5
111.08076	9.0
117.06969	13.9
119.08555	56.8
121.10133	58.3
123.08055	10.6
123.11682	13.9
126.42719	6.8
127.01553	16.6
129.07054	6.1
131.08566	40.3
133.10117	66.9
135.11656	27.9
137.09605	8.1
139.11150	10.4
143.08537	16.5
145.10101	45.0
147.11696	29.5
149.13245	16.7
157.10095	21.2
159.11658	37.7
161.13248	14.2
165.12738	11.0
169.10028	7.7
171.11650	16.7
173.13237	20.4
175.14827	20.9
183.11703	7.5
185.13232	14.7
187.14824	19.5
199.14738	18.3
201.16315	30.4
213.16306	9.5
225.16353	7.6
227.17958	7.5
237.16435	8.5
245.22707	7.2
255.21112	34.6
353.28125	7.8
392.22968	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	431.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	75.0
64.34605	5.6
67.05500	50.8
69.07061	19.6
70.18284	12.7
70.18621	8.9
79.05482	39.9
81.07051	65.8
83.04981	98.2
83.08631	6.4
91.05468	47.4
93.07046	68.9
95.04970	13.1
95.08607	65.8
96.03955	5.0
97.06485	6.7
105.07019	100.0
107.08593	70.4
109.06499	14.7
109.10182	36.3
111.08073	20.2
117.07018	15.0
119.08576	72.5
120.28175	5.4
121.10131	43.1
123.11714	10.6
125.09585	5.5
131.08534	29.0
133.10104	59.1
135.11693	23.4
137.13312	5.2
139.11142	19.4
143.08572	19.2
145.10129	40.4
147.11647	42.1
149.09497	5.3
149.13235	12.7
157.10081	17.0
159.11711	45.1
161.13217	13.7
165.12772	13.6
169.10124	6.2
171.11626	17.4
173.13214	25.8
175.14844	10.5
183.11542	7.1
185.13330	11.7
186.05455	5.9
187.14824	16.3
197.13365	7.5
199.14851	11.9
201.16367	23.0
211.14703	6.7
213.16284	8.4
219.31468	5.4
255.21068	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	431.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	56.8
55.58476	9.2
67.05512	54.0
67.05822	9.0
69.07078	22.3
69.07503	8.5
69.30375	53.4
70.72476	8.1
72.19113	10.4
79.05492	58.5
81.07054	93.0
83.04985	94.4
85.06556	10.6
91.05463	50.7
93.07050	85.5
95.04938	48.3
95.08614	72.4
97.06561	13.2
98.23406	21.0
105.07030	97.8
107.08591	86.1
109.06533	18.5
109.10170	35.7
111.08116	11.1
117.07005	21.0
119.08571	58.7
121.10147	43.1
123.11739	15.5
127.33746	9.6
131.08572	40.2
133.10124	100.0
135.11745	25.7
143.08583	10.2
145.10115	41.0
147.11708	37.9
149.13274	21.8
157.10162	19.3
159.11699	48.7
161.13258	28.8
171.11630	22.2
173.13312	19.7
175.14880	13.7
185.13293	16.5
187.14806	24.0
199.14838	10.1
201.16396	36.6
212.12828	11.5
213.16382	14.6
224.57896	9.8
255.21011	20.3
290.05334	11.0
311.33682	8.6
324.54578	10.4
353.28732	8.8
371.29819	12.6
395.45459	10.3
431.31549	14.8
447.86334	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	431.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.4
65.03921	7.8
67.05508	24.7
69.07063	14.0
69.55781	10.5
69.56178	8.4
71.05006	4.9
72.69804	4.0
79.05487	13.8
79.50632	4.5
80.80165	4.2
81.07056	51.1
83.04974	18.0
83.08603	9.0
85.06528	5.1
91.05484	15.4
93.07055	34.9
95.04963	100.0
95.08617	31.6
97.06534	8.7
105.07021	29.1
107.08589	28.6
108.64849	4.3
109.06517	29.3
109.10172	21.2
111.08071	10.4
117.07011	6.9
119.08580	28.6
121.10135	19.4
123.11698	7.6
131.08571	14.8
133.10132	20.7
135.11723	11.3
137.09686	6.1
143.08595	6.1
145.10132	15.0
147.11697	18.1
149.13220	7.8
157.10153	7.6
159.11737	17.0
161.13229	8.3
163.14777	6.2
171.11711	6.5
173.13312	8.5
175.14780	8.0
187.14914	7.8
189.16240	6.8
197.13390	5.2
199.14764	7.5
201.16437	5.5
215.18044	4.3
230.62444	4.4
255.21037	5.4
335.27325	6.0
353.28214	9.7
371.29385	16.4
403.20316	7.5
426.21371	9.0
431.13116	6.3
431.31360	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60594	2.9
54.76396	2.9
55.72496	3.0
70.34171	3.0
71.42887	3.2
74.99072	3.8
75.04479	5.4
85.02901	3.5
89.00613	12.6
99.10890	2.8
100.11298	3.7
100.31348	3.5
100.88223	3.4
105.05508	3.6
105.07017	7.6
107.01675	4.5
113.02369	17.6
117.00068	54.1
121.03197	9.0
129.00072	3.5
133.04961	86.1
146.00377	4.0
149.02664	12.9
159.06500	4.2
177.02150	38.1
198.95274	3.8
205.01653	92.5
206.02026	3.8
209.02583	3.1
222.14809	3.6
230.97853	4.4
258.97525	3.2
263.00464	6.0
264.50504	3.0
290.99869	100.0
322.29221	3.2
325.10651	3.2
351.02020	56.5
405.90961	3.4
432.19678	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	432.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03773	2.7
60.05640	7.1
68.05028	8.1
68.63573	1.1
68.99790	1.4
69.03452	2.6
69.05811	2.2
70.06592	40.2
70.33775	1.2
70.96524	1.8
71.04992	3.7
72.05643	3.5
73.06421	100.0
76.85698	1.1
80.05029	2.0
88.07578	1.9
95.06102	2.4
96.04507	7.9
98.97607	1.6
105.03396	2.2
108.04485	3.5
112.08729	25.1
122.06039	2.4
128.08209	7.5
129.08984	26.7
130.09764	32.1
150.05508	2.7
169.01465	1.7
176.03423	3.1
179.81102	1.4
187.03889	15.7
190.04976	4.0
194.04482	1.2
210.08728	1.5
218.04488	39.9
219.02876	1.8
219.04848	1.4
236.05556	3.6
239.03412	2.9
240.33759	1.3
257.04443	27.3
278.07736	41.7
285.03925	31.9
286.04474	1.8
296.08847	8.4
303.05005	5.6
308.09247	3.2
325.07141	1.6
336.08640	18.8
337.06891	1.4
354.09683	9.1
372.10880	4.1
378.10944	1.3
379.09396	1.6
396.06744	2.3
396.11908	47.8
397.12088	2.4
414.12973	33.0
415.13315	1.8
432.14059	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	432.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89609	0.5
54.77960	0.5
70.53143	1.0
73.06543	1.5
74.02406	0.5
86.09689	1.1
87.04466	5.0
89.06026	100.0
90.06332	1.2
98.22616	0.5
107.07082	2.4
108.66284	0.5
111.04377	0.5
117.09142	0.6
121.02876	3.3
122.03169	1.5
124.43937	0.5
130.08701	0.5
131.07021	2.2
133.08595	55.6
134.08942	0.9
151.01028	0.5
163.03905	0.9
171.91212	0.5
175.09549	0.7
177.11209	18.9
178.11739	0.7
207.04289	0.9
209.05887	0.5
221.13774	3.2
222.24507	0.5
222.32384	0.5
239.14923	0.9
265.16434	1.0
271.06036	0.9
283.17502	1.0
302.03879	0.5
327.20087	1.5
362.18079	0.6
371.22806	1.8
385.09256	1.0
415.25336	13.6
416.25916	0.9
432.18561	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	433.1126
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
55.01858	0.3
69.18665	1.8
70.06575	0.6
84.97463	1.1
85.02886	0.6
95.01329	0.6
98.22707	0.7
99.97451	0.3
103.05464	2.3
105.03340	0.9
105.07005	0.4
119.08516	0.4
121.06511	0.8
123.00779	6.0
126.15092	0.3
128.24435	0.3
131.04916	1.1
141.01797	0.5
145.06816	0.5
147.04402	0.4
169.01331	1.2
180.99529	0.4
181.05009	0.3
197.05920	0.4
200.98518	1.2
225.05420	0.9
236.04565	0.3
253.04970	2.2
271.05972	100.0
272.06287	5.0
287.03571	0.6
301.07025	1.2
312.01624	0.4
345.37006	0.3
351.08371	2.6
352.08530	0.3
353.08725	1.4
401.15356	0.5
433.18039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
57.03448	0.3
59.00388	0.2
68.11308	0.3
68.99764	0.3
69.03412	0.6
70.69897	0.3
71.04998	0.3
72.57777	0.2
81.03429	0.3
81.52442	0.3
84.04507	0.5
85.02891	1.4
91.05494	0.3
95.01378	0.4
97.02885	0.3
103.05464	1.3
105.03386	0.7
105.07051	0.3
116.93293	0.3
119.04933	1.0
121.02824	0.4
123.00777	2.8
127.03928	0.4
130.04988	0.3
131.04938	1.6
145.02838	0.4
147.04399	0.4
152.03476	0.6
153.01830	1.9
163.03821	0.5
168.02917	0.8
169.01355	0.7
225.05470	0.8
232.02379	0.7
241.04858	0.3
250.03676	0.3
253.04977	1.1
271.05991	100.0
272.06360	5.1
283.05954	1.5
284.06564	0.3
295.05734	0.4
312.03299	0.4
313.06955	0.8
337.06949	0.3
379.08347	0.4
397.09418	0.4
398.08783	0.5
415.11050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Galanginin
Peak:m/z	Relative Intensity
64.00433	0.3
64.89780	0.2
65.15578	0.3
68.99802	0.5
69.03416	0.4
69.83651	0.6
69.84009	0.5
77.94833	0.3
83.01325	0.5
85.02885	0.7
93.07019	0.3
95.01306	0.7
95.04950	0.4
97.02892	0.4
98.22787	0.3
99.98555	0.3
103.05454	2.3
105.03389	3.9
115.05452	0.3
123.00785	6.1
127.03885	0.3
131.05002	0.4
141.01825	0.4
141.07002	0.3
141.85216	0.3
149.10976	0.3
151.00237	0.4
153.01787	0.6
169.01289	2.0
181.01292	0.9
181.39740	0.3
183.02899	0.7
186.01559	0.3
187.03946	0.3
199.02388	0.9
211.02344	0.5
223.53438	0.3
225.05449	1.1
229.20381	0.3
231.94562	0.3
253.04948	2.7
263.11459	0.3
267.06448	0.8
270.05307	1.4
270.08081	0.4
271.05981	100.0
272.06293	4.5
281.04465	0.7
281.08078	0.4
283.05991	9.2
284.06473	0.9
295.05984	0.7
309.07651	1.5
313.07031	8.7
313.10779	0.4
314.07352	0.7
323.09137	1.0
337.07025	4.3
349.07071	0.9
361.07172	1.4
367.07971	1.8
379.08185	1.8
397.09238	1.8
415.10284	0.6
433.11020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Isovitexin
Peak:m/z	Relative Intensity
54.25520	0.5
55.01848	0.6
57.03431	1.0
57.60298	0.7
61.48137	0.5
68.99785	1.3
69.21640	0.5
79.05450	0.8
80.55650	0.5
81.03411	1.6
85.02899	3.2
91.05472	1.6
95.04947	0.6
98.22620	1.3
103.03907	0.6
105.03382	0.5
106.83157	0.6
107.04913	1.1
109.02843	1.5
119.04932	5.3
121.02856	9.0
131.04852	0.7
139.03912	0.8
141.01810	1.6
145.02861	3.0
147.04401	0.6
149.02338	2.0
151.03860	1.0
152.57048	0.5
153.01793	0.8
163.03889	5.8
165.01819	14.4
167.03345	3.1
168.02922	0.6
177.01843	1.7
181.04912	1.5
183.02913	3.6
187.03860	3.2
189.01889	0.8
191.03391	1.3
195.02841	2.0
198.79323	0.6
205.04950	1.2
215.03394	1.0
229.05048	1.1
239.07083	1.2
242.73289	0.6
243.02902	0.8
255.06435	1.1
256.07294	1.3
265.05237	0.6
267.06461	7.6
268.06287	2.1
269.04532	1.0
270.05261	3.7
271.05951	7.0
279.06525	1.6
281.08038	6.0
283.05975	100.0
284.06631	14.8
293.07950	0.7
295.05945	11.3
295.09586	2.7
296.06317	1.2
297.04166	1.1
297.07260	4.1
305.08054	2.4
307.05960	1.7
308.06717	1.8
309.04144	1.5
309.07529	18.3
310.07712	1.2
311.05463	1.3
313.07031	62.7
314.07236	3.3
321.07446	2.6
323.05847	0.7
323.09100	13.6
324.09372	1.2
325.07166	1.8
333.07578	3.0
337.07028	36.4
338.07104	2.5
343.07968	0.6
349.03217	1.0
349.07053	10.5
351.08499	3.2
361.07034	9.6
362.07358	0.8
366.06113	1.0
367.08084	18.4
368.08627	1.1
370.09244	1.5
379.08057	19.6
380.08316	1.2
397.09125	20.6
398.09192	2.3
415.10175	11.7
416.10355	1.1
433.11237	6.8
434.11377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.03431	0.7
61.02917	1.0
68.99786	0.3
69.03425	2.5
69.34768	1.0
73.02895	0.3
81.03397	0.9
83.01367	0.3
85.02911	4.6
87.04468	0.5
91.03968	0.3
95.01346	0.5
97.02892	1.8
98.22654	0.4
99.04473	0.2
103.05476	1.3
105.03387	0.7
109.02888	0.5
123.00784	4.3
127.03893	0.9
131.04924	0.6
141.01846	0.4
145.04930	0.7
147.04399	0.7
147.05484	0.2
169.01314	1.4
181.84143	0.3
183.04169	0.2
197.06032	0.3
225.05415	1.0
229.04898	0.2
253.05009	2.3
254.05103	0.2
270.05194	0.4
271.06003	100.0
272.06348	5.3
293.37363	0.2
357.07541	0.2
433.11472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01863	1.9
57.03428	2.1
60.08155	1.0
61.02925	2.6
68.99792	5.6
69.03416	2.2
69.74205	3.2
70.06591	7.2
70.49020	0.9
71.06933	1.0
72.08112	1.0
73.02912	1.2
73.06393	1.0
77.03909	1.4
78.78170	0.9
79.05490	1.7
79.36710	1.3
79.96974	1.2
81.03428	2.4
83.01347	5.5
83.04991	1.0
84.04516	1.8
85.02901	5.8
91.05461	2.0
95.01336	1.1
95.04956	8.2
97.02883	3.3
103.03922	1.5
103.05459	8.5
105.03392	61.4
105.04501	2.0
105.07016	1.3
109.02892	3.7
109.03990	1.3
110.06074	1.0
111.04408	1.4
111.05617	1.0
116.07105	1.3
121.02892	1.9
123.00835	1.8
123.04420	1.9
127.03916	1.3
130.05014	3.2
131.04948	4.2
133.02805	1.3
135.04387	1.1
137.02356	2.6
139.00169	0.9
139.08630	1.0
146.09198	0.8
147.04416	7.1
149.02342	1.0
151.03908	3.0
152.14076	0.9
152.26392	0.8
153.01855	2.8
155.03416	2.3
161.02367	1.3
163.03940	2.7
165.01825	5.7
168.00580	2.4
168.02925	2.3
169.01328	4.7
175.03928	2.8
175.11855	1.0
177.05450	1.0
179.03397	3.9
181.01288	11.9
183.02917	2.3
186.01584	2.3
187.03903	1.5
189.01828	1.4
191.03416	1.3
193.01308	12.1
195.02936	1.6
197.00816	1.1
199.02350	10.5
206.04579	1.3
207.02869	5.5
207.06479	1.8
209.04510	2.4
211.02362	6.6
221.04402	7.1
223.02490	1.4
231.02890	1.8
233.04503	2.3
235.02371	18.2
239.06979	2.1
242.05792	1.3
247.02614	1.6
253.04976	1.3
255.06412	2.9
259.02386	1.8
265.03394	2.2
267.06503	3.5
270.05222	22.9
271.05896	7.8
277.03506	4.3
280.04501	2.5
281.04486	1.6
283.06006	66.3
284.06705	16.1
285.06763	1.5
295.06079	12.4
297.07608	3.7
299.05469	1.1
307.05881	2.0
309.04300	1.0
309.07355	5.4
311.05673	1.4
313.07077	100.0
314.07465	5.3
323.05771	1.4
323.08914	4.9
328.13861	2.8
329.14166	2.2
337.07022	16.6
343.08066	1.2
349.07043	6.2
351.08438	1.4
355.08099	3.3
367.08096	15.8
368.08463	1.7
379.07980	10.0
397.09183	14.3
398.09290	1.8
415.10010	15.5
416.09894	1.7
433.10730	7.0
433.20538	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.1
53.21048	0.1
57.03431	0.1
61.41087	0.1
66.65318	0.1
67.01582	0.1
67.01878	1.1
68.99762	0.7
69.03416	0.5
69.58169	0.5
73.02923	0.2
77.03951	0.2
79.05488	1.1
80.70326	0.1
81.03407	0.2
85.02916	0.6
87.58428	0.1
91.05470	1.4
95.04958	0.4
97.02847	0.3
103.05463	10.3
104.05774	0.2
105.03387	0.5
105.04480	0.1
105.07021	0.3
107.04955	1.8
111.00787	0.4
112.33109	0.1
113.02358	0.3
117.07031	0.3
123.04422	0.9
127.03951	0.2
131.04921	30.7
132.05251	0.9
139.48767	0.1
145.06470	0.4
147.04422	0.6
147.08038	0.5
151.03899	1.6
153.01819	60.2
154.02174	1.0
165.01706	0.2
169.06506	0.1
171.02887	2.2
173.05981	2.0
179.03371	1.0
191.07043	0.7
197.05934	0.1
215.07022	1.2
220.62099	0.1
239.06984	0.4
257.08063	100.0
258.08408	4.4
269.08093	0.2
271.05972	2.2
301.39621	0.1
353.09027	0.1
364.00925	0.1
434.60910	0.2
435.54742	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	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.56084	0.3
55.30212	0.3
65.21287	0.3
68.99781	0.4
69.22900	1.6
88.68244	0.3
98.55581	0.3
103.05486	2.2
105.03384	0.9
123.00809	0.8
129.03348	0.5
131.04897	1.0
141.07034	0.4
169.01323	2.0
186.36525	0.3
257.07236	0.4
270.05212	0.4
271.06000	100.0
272.06345	4.8
433.11270	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	433.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98873	0.1
68.99794	0.2
69.37777	0.3
69.38163	0.3
83.22238	0.1
85.02889	0.3
95.01335	0.4
97.02897	0.2
103.05463	1.7
105.03378	0.7
120.35656	0.1
123.00785	5.1
124.01080	0.1
141.01813	0.4
141.06987	0.1
151.00223	0.2
169.01305	1.5
175.01544	0.1
184.19981	0.1
187.83549	0.1
197.05923	0.2
213.71719	0.1
225.05428	1.0
229.04941	0.3
236.02774	0.2
237.02885	0.2
253.04999	2.4
270.05038	0.2
271.05984	100.0
272.06329	4.4
285.07635	0.1
301.07028	0.2
342.59494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97294	0.8
56.05023	1.5
57.03407	1.0
57.62083	0.9
60.05648	0.8
60.08152	0.9
68.05031	4.3
69.03426	2.2
69.78735	1.7
70.06584	4.4
79.05463	1.1
81.03409	1.0
81.04511	0.9
83.04964	0.8
84.04502	16.7
85.02406	1.5
85.02902	24.2
86.06014	0.8
87.16344	0.8
91.05473	6.7
91.21592	0.7
95.01322	2.6
95.04942	1.4
96.04500	8.8
97.02860	2.0
102.05548	7.6
105.03384	2.7
107.04953	6.7
109.02887	1.1
109.04032	3.9
110.06039	1.4
112.03954	1.6
114.05543	4.9
116.07062	1.5
119.04951	1.7
124.03925	4.4
127.03896	1.2
130.04997	100.0
130.09750	0.9
131.04926	2.2
135.04420	2.2
136.03894	1.1
137.02345	0.8
137.05957	1.0
138.05473	3.5
140.03426	8.8
142.05000	8.8
145.04933	1.9
147.04405	1.4
151.07471	1.2
155.04567	1.5
160.89835	1.1
163.03886	5.2
163.07582	0.8
164.03424	10.9
166.04990	1.7
166.75421	1.0
167.02130	2.4
168.02916	58.9
169.03197	2.0
170.04424	1.5
181.04938	1.0
182.04456	11.3
185.05859	0.9
187.03883	14.7
192.02876	2.7
206.04465	8.0
210.03925	2.5
213.05348	1.0
215.03217	1.1
228.04903	1.0
234.03960	43.8
235.04311	2.0
241.04962	1.5
252.04927	1.8
257.06952	1.5
262.03491	3.5
264.12161	0.9
268.06140	1.5
269.04422	1.3
270.05075	1.9
279.05954	1.5
280.04504	45.2
281.04773	1.9
282.07642	1.3
283.05994	3.4
284.05499	9.5
284.14795	0.9
285.06311	38.7
286.07071	7.4
303.07446	6.9
304.08142	30.8
305.08139	1.2
313.07077	3.2
329.14142	2.0
352.08151	3.8
370.09158	8.6
387.11795	1.3
388.10336	2.0
397.10205	3.3
398.08682	21.6
399.08698	1.3
403.74063	0.9
415.11179	10.8
416.09756	25.3
417.10272	2.1
433.12326	11.1
433.20227	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	433.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
61.48905	0.7
65.03932	2.6
67.05485	1.0
68.99785	3.5
69.03424	1.0
69.07063	1.3
70.68938	1.5
71.04982	1.3
79.05482	2.3
81.07053	1.4
83.39012	0.6
87.04439	0.8
91.05489	1.5
93.07014	0.7
95.04957	2.1
97.06518	3.7
105.03377	0.7
105.07013	1.6
107.04934	1.1
111.04420	2.2
117.06970	1.0
119.04957	2.4
119.93595	0.6
121.02860	100.0
121.03875	3.2
122.03205	2.0
123.04519	0.6
129.07010	0.9
131.10033	0.6
133.06491	0.9
135.04430	1.1
137.02350	2.8
139.00267	0.8
145.02835	2.3
145.06506	0.8
147.04407	3.2
147.08041	1.2
149.05974	7.0
151.03996	0.7
151.07637	0.8
151.65860	0.6
161.06047	0.8
163.03909	9.4
165.05487	1.2
173.05943	1.1
175.03995	1.0
175.07486	2.3
177.05458	7.9
181.04897	1.1
183.06622	0.7
191.07071	1.0
193.08665	0.8
195.06516	1.9
203.07072	1.7
219.06570	1.1
221.08047	1.3
223.07545	0.8
239.07031	3.4
243.02654	0.8
251.07072	2.7
252.07739	0.9
255.06485	2.8
257.04462	1.6
261.03851	1.2
267.06577	0.9
267.10184	3.5
268.07336	0.9
269.08047	1.8
271.05963	1.5
283.06216	1.6
283.09680	3.7
285.03824	4.3
286.04639	0.9
287.05463	5.1
292.07361	0.9
293.08234	0.8
293.11426	1.4
295.06375	1.1
295.09583	8.7
297.11105	1.2
307.09442	1.0
309.07565	1.0
309.11090	1.5
311.09103	2.4
311.12592	1.5
313.10611	3.5
319.09579	0.8
320.17300	0.7
321.11176	1.2
325.10562	1.0
337.10681	2.0
339.08603	3.1
339.12296	8.0
355.11752	2.6
357.09598	0.8
357.13327	12.9
358.13724	0.8
365.10031	2.7
371.14865	20.7
372.15094	1.0
383.11224	9.5
387.10638	4.5
397.12848	3.1
401.12271	10.8
415.09796	3.2
415.14578	8.2
415.22656	0.8
433.14999	12.2
434.14996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05500	0.7
56.62624	0.5
57.03424	0.7
65.03935	3.6
67.05495	1.0
68.99788	4.8
69.03414	1.0
69.49688	2.7
71.04953	0.7
79.05508	2.9
81.03405	0.8
81.07049	1.8
85.02882	1.1
86.09708	1.0
87.04465	0.7
91.05482	2.3
93.07048	1.0
95.04947	1.6
95.08611	0.8
97.02908	0.7
97.06506	3.0
97.23727	0.6
103.05457	1.0
105.03387	1.5
105.07020	1.3
107.04951	2.6
107.08597	1.2
109.06495	1.3
111.04436	2.2
111.08047	0.8
117.06989	1.5
119.04948	4.1
119.08560	0.9
119.57770	0.6
120.08088	1.5
121.02856	100.0
122.03200	2.5
123.04401	1.1
123.08055	1.3
127.03938	0.6
129.06989	0.9
131.04890	0.8
133.02861	0.6
133.06488	1.2
133.59238	0.6
134.64420	0.6
135.04379	1.9
135.08022	1.0
137.02374	3.8
137.05930	1.0
139.07550	1.1
142.23990	0.6
145.02803	3.7
145.06468	2.1
146.75578	0.6
147.04424	4.6
147.08058	1.2
149.02278	0.7
149.05960	7.9
151.03917	1.7
151.07533	0.6
157.01421	0.8
159.04405	0.7
159.08037	0.8
161.05966	1.3
163.03897	12.4
163.07487	1.4
165.01787	0.9
165.05460	2.2
173.05960	1.4
175.07561	3.5
177.05441	6.8
177.09146	0.7
179.03374	1.5
179.07040	0.8
181.04985	1.1
189.09113	1.0
191.03418	0.7
191.07018	1.0
193.04912	2.0
193.08589	1.8
195.02763	0.7
197.05893	0.9
201.05469	0.8
203.03383	0.6
203.07005	1.6
213.05240	0.6
219.06570	1.5
221.04483	0.8
221.08041	1.0
223.07596	1.4
229.05040	1.3
230.43977	0.6
239.07054	7.0
240.07620	0.8
247.06017	2.1
251.06999	3.0
252.07791	3.2
253.08644	1.3
254.05756	0.9
255.06523	8.9
257.04446	1.6
265.06940	1.2
267.06595	2.0
267.10132	15.0
267.12936	0.9
268.07178	1.0
268.10519	1.0
269.08069	2.3
269.38712	0.7
271.05862	1.2
273.03836	0.9
277.08554	1.2
279.09933	1.0
280.07260	0.6
281.08322	1.2
281.11636	1.8
283.06219	1.5
283.09631	7.4
283.12875	0.8
285.03912	2.1
285.07089	0.7
287.05460	2.2
289.03510	1.4
291.10190	0.9
293.08279	1.3
293.11719	3.3
295.06058	2.1
295.09528	9.9
297.11081	2.0
299.05240	0.8
305.08035	0.9
309.07770	1.3
309.11130	2.6
311.05701	1.3
311.09134	4.9
311.12814	2.0
313.10757	3.8
321.07697	1.2
321.11081	1.2
323.09180	1.4
325.06979	0.8
325.10709	1.2
327.08539	1.4
329.10144	1.1
337.10651	3.7
339.08539	4.2
339.12265	10.2
341.09894	0.8
351.08582	0.9
353.09952	1.3
353.14008	1.2
355.11725	6.9
357.09515	2.4
357.13327	5.9
365.10132	2.9
369.09229	0.8
371.14850	18.6
372.15378	1.4
374.12430	0.8
383.11200	21.7
383.55701	0.7
384.11475	1.2
387.10733	6.4
397.12827	4.7
401.12296	16.5
415.10065	3.6
415.14355	17.4
416.14328	1.3
433.14923	19.9
434.15283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
50.87404	0.2
51.02380	1.5
53.03949	2.9
55.05493	0.3
58.92778	0.2
67.05502	0.3
69.07059	0.2
77.03928	3.0
79.05513	0.3
80.01549	0.2
81.03416	0.4
81.07055	0.3
91.05466	0.4
93.07049	0.4
95.04966	14.8
95.08596	0.3
95.17959	0.2
98.03892	0.2
105.03389	100.0
105.04404	6.5
106.02914	0.8
106.03728	1.9
113.69491	0.2
118.04034	0.2
119.08607	0.5
124.03950	0.5
128.06241	0.2
143.08583	0.3
145.10155	0.4
153.07010	0.2
155.08505	0.3
157.10152	0.6
159.11690	0.4
168.09390	0.2
169.10141	0.4
170.10928	0.3
171.08037	0.2
171.11644	0.3
179.08488	0.2
181.10167	0.3
183.11710	1.5
185.09619	0.4
185.13321	0.2
186.10387	1.5
187.11128	1.2
187.14778	0.3
193.10141	0.4
195.11681	0.3
198.14005	1.1
199.14601	0.2
207.11766	0.3
211.14787	0.3
215.14319	0.3
237.16428	0.2
239.17973	0.2
251.10728	0.3
265.15854	0.5
293.15311	0.2
295.88248	0.2
302.16623	0.2
311.16357	2.0
389.27408	0.2
415.18787	0.4
425.09055	0.2
433.20245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.7
57.03424	14.3
57.07078	3.7
59.23407	1.9
59.64557	2.0
67.05500	62.7
69.07059	12.0
69.52817	9.4
69.95497	2.0
71.29720	2.1
76.42114	1.9
79.05490	34.2
81.06561	3.7
81.07050	76.6
83.04961	2.4
83.08608	6.7
84.25816	2.0
91.05473	20.0
93.06507	2.1
93.07040	52.5
95.04948	6.7
95.08602	52.8
97.10185	4.2
98.98457	95.8
99.47339	2.4
105.07013	17.5
106.10722	2.3
107.08582	33.9
109.10152	27.9
117.06980	3.9
119.08566	14.9
121.10143	22.5
123.11714	12.1
129.06966	2.5
131.08578	10.8
133.10078	10.5
135.08089	2.9
135.11696	17.5
137.13252	4.8
145.10126	9.4
147.11691	11.8
149.13232	14.2
155.01024	9.8
159.11646	11.2
161.13235	6.5
163.14816	9.3
173.02090	19.8
173.13245	11.9
175.14871	3.8
177.16364	3.6
187.14864	5.2
193.59950	2.3
199.14912	2.4
218.87572	2.2
233.22681	4.1
243.21095	13.6
261.22119	53.3
291.23297	2.8
317.24677	11.9
335.19196	5.4
335.25778	100.0
336.26111	7.6
387.15155	2.5
403.10147	6.6
405.16257	12.3
423.16980	3.9
433.14944	6.7
433.29205	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.00479	1.6
55.05509	14.0
57.03431	12.6
57.07077	2.7
65.03931	3.8
67.05502	57.0
67.05865	3.1
69.07069	9.2
69.24466	11.6
70.29682	2.0
75.04456	2.0
79.05486	36.0
81.07053	66.7
83.08612	4.2
91.05473	22.3
91.34664	1.8
93.07040	48.9
95.04967	4.6
95.08604	48.8
97.06543	3.8
97.10158	3.0
98.98463	94.8
99.08071	2.2
105.00654	2.2
105.07032	15.6
107.08593	28.4
109.10152	24.4
111.08024	2.6
113.09698	2.1
117.07035	5.3
119.08562	13.3
121.10137	21.5
123.11674	10.8
131.08549	14.7
133.10109	12.7
135.11702	17.0
137.13234	4.3
145.10107	10.2
147.11670	8.4
149.13232	8.4
150.16734	1.7
155.01019	10.5
159.11708	9.4
161.13269	7.1
163.14799	6.4
173.02097	18.6
173.13280	9.0
175.14824	2.8
177.16467	4.2
187.14687	4.7
215.17967	2.4
222.87943	2.2
233.22731	1.9
243.21065	19.4
261.22122	60.3
262.22595	2.8
279.23083	2.8
317.24640	9.0
335.25781	100.0
336.26074	8.6
405.16354	3.0
415.22415	2.2
433.14804	3.0
433.29062	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	434.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98799	3.8
58.99572	9.2
61.01148	3.2
69.67076	6.1
75.02698	2.3
75.04479	83.9
83.04984	2.5
85.02894	5.4
87.99850	9.8
89.00614	17.3
91.02161	2.4
94.96264	4.1
107.01648	44.9
109.06514	2.2
113.02370	32.0
117.00082	64.5
118.96252	4.2
119.01625	3.0
125.79723	2.3
126.79842	2.0
127.01559	2.6
132.99556	8.8
144.99548	3.6
147.01195	3.1
148.97278	2.6
149.02676	100.0
150.98796	2.1
157.03178	4.6
169.04955	35.0
175.00560	3.3
176.96774	2.4
177.02162	71.6
178.98320	5.7
179.03723	22.6
187.06049	2.4
201.02180	2.1
201.07581	17.2
204.94690	2.7
205.53938	2.1
207.03220	21.1
232.93919	10.8
240.96599	9.8
264.96585	5.4
282.97830	2.9
292.96005	2.4
296.99118	5.2
324.98663	24.4
342.99741	25.7
352.98224	9.8
357.01407	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	434.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
57.03428	0.8
57.04550	0.7
57.59353	0.7
57.67427	0.7
59.04979	1.6
59.78991	0.7
69.03426	4.6
69.38602	2.9
70.06577	1.1
72.08105	0.7
77.94252	0.7
78.94581	0.6
79.05451	0.8
79.76898	0.6
81.03424	1.7
84.05624	6.7
85.02896	7.0
86.09692	2.1
87.00802	0.9
87.04455	1.1
90.03447	0.8
95.04901	1.1
96.05645	0.8
97.02900	3.4
105.01855	0.8
109.02844	0.9
112.18443	0.7
121.02837	1.0
122.03290	0.8
126.01065	38.6
127.01871	6.8
127.03914	2.8
128.02643	1.7
131.06041	1.5
135.04396	1.0
139.01849	3.4
140.02563	0.7
141.02167	3.6
142.02934	0.7
146.07176	2.7
153.02167	3.1
154.02933	4.0
157.06407	0.7
163.03905	3.1
164.04216	1.8
165.02188	4.8
166.01756	0.7
166.02936	4.9
167.03746	5.0
167.79233	0.8
168.03236	1.8
171.06654	2.6
172.07463	2.4
173.08229	28.5
174.08464	1.2
180.03246	3.4
184.10100	0.7
189.07770	1.2
190.08554	1.2
191.09270	9.8
193.08704	1.0
195.04283	2.3
207.04321	100.0
208.05057	17.2
209.05896	31.3
210.04301	46.0
210.06407	3.1
217.84685	0.7
225.05394	21.6
226.06013	2.4
226.31735	0.7
227.06992	3.4
228.05322	1.9
235.69365	0.7
236.03400	0.9
242.05574	1.4
254.04401	37.6
255.04625	1.5
272.05429	8.5
284.86172	0.7
311.93723	0.7
311.97797	0.8
353.14694	3.3
387.10648	19.7
388.11285	5.1
417.07928	0.9
434.10715	0.8
435.12503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.2
53.39960	2.6
55.01867	12.8
56.84831	2.4
57.03429	8.0
58.37974	2.4
61.02925	8.4
65.03919	2.6
66.98653	2.3
67.05489	3.8
68.99798	3.7
69.03423	37.6
69.59841	10.2
70.06578	7.2
70.80846	2.3
71.04980	5.4
71.17387	2.6
73.02910	9.9
81.03413	39.5
85.02904	100.0
87.00829	40.2
90.51028	2.3
91.05527	3.3
94.49799	2.5
97.02890	48.7
99.04447	20.0
105.01862	42.1
106.03674	3.1
107.04992	3.3
108.04436	3.8
109.02878	47.3
111.04437	6.0
117.01865	5.3
119.04935	3.1
120.04475	3.4
125.05986	5.4
126.05522	2.5
126.37799	2.7
127.03913	81.9
129.01813	5.4
134.12686	2.3
141.60054	2.5
145.04971	34.4
147.02954	2.8
147.04379	3.0
151.03920	36.6
151.05020	5.2
159.02867	26.5
168.02789	2.6
169.04956	10.5
213.35071	2.7
214.99774	2.6
231.04996	13.6
284.06360	5.7
314.07156	6.0
331.60767	2.3
434.17401	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80025	0.7
66.28865	0.7
68.99796	1.4
69.74078	1.5
69.74473	1.5
70.02949	1.3
72.64368	0.8
72.88052	0.6
83.03707	1.5
91.05472	6.8
91.12643	0.7
95.04898	0.8
98.02399	0.8
98.22772	1.0
103.05444	2.5
105.07018	7.6
110.02417	0.9
111.03169	5.8
118.06549	1.8
119.07325	0.9
121.06472	5.1
121.20096	0.6
126.01897	1.7
128.96471	0.7
131.04916	2.3
132.08069	1.2
134.22273	0.7
135.08081	0.7
138.01848	29.0
139.02657	3.3
156.02887	1.0
163.07526	0.7
166.01337	34.0
167.02133	45.9
168.02696	1.1
178.01341	2.5
178.34911	0.6
180.02837	1.0
184.02411	8.8
185.03181	27.0
192.02840	1.2
200.07050	1.2
225.05423	4.9
228.06531	1.9
242.08105	4.8
246.07610	1.3
270.07587	39.5
271.08347	32.2
272.08887	2.3
283.07822	0.8
284.09070	0.9
288.08551	1.7
374.13831	100.0
375.14246	6.7
402.13016	1.5
434.15897	14.1
434.38422	1.2
435.15991	1.6
452.06189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.01875	9.5
57.03431	4.5
61.02925	6.7
68.99783	5.2
69.03428	38.2
69.46754	2.3
69.47157	5.4
70.98901	1.4
71.04990	4.2
73.02905	5.7
81.03413	26.1
85.02905	100.0
85.56010	1.3
86.03237	2.0
87.00830	41.1
91.03960	2.9
91.05484	17.1
95.04987	2.9
97.02332	2.9
97.02895	29.3
99.04459	13.2
101.02333	1.4
103.03915	1.7
105.01868	42.3
105.07035	5.3
106.40801	1.7
108.04476	5.1
109.02879	28.9
109.03563	2.9
111.04455	2.1
115.05473	1.6
117.01860	2.6
119.04927	15.2
126.05577	1.7
127.03913	62.2
128.06190	1.8
129.01817	4.9
129.07010	3.4
131.04936	2.0
133.06520	3.7
137.05995	4.8
140.46988	1.6
145.04951	23.5
147.02902	3.3
147.04413	2.1
151.07538	80.4
152.07886	3.3
153.06984	1.8
157.06470	5.7
159.02864	17.6
161.06004	5.4
163.07539	2.4
165.09106	20.6
169.08607	4.1
174.06711	3.6
175.07536	7.8
177.05379	3.2
179.06998	7.6
181.06418	2.4
182.81860	1.6
189.03908	4.0
189.09044	8.1
191.06778	1.9
193.08604	39.4
199.07513	3.5
205.08704	2.9
213.03966	2.0
213.09116	3.3
217.08531	10.5
219.10016	2.0
227.07077	4.2
230.06592	1.7
231.05031	11.0
231.10201	5.0
235.09659	18.4
248.07640	2.7
259.09650	33.4
277.10703	42.6
319.65753	1.4
363.10645	5.4
381.11819	9.4
386.14227	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	434.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.2
54.28472	1.0
54.96507	1.0
55.01858	1.5
55.05507	5.9
55.34447	1.2
55.63048	1.1
56.05024	1.1
57.03441	5.3
57.07067	2.2
58.99579	13.1
61.01130	4.0
61.24494	1.2
62.99075	1.8
65.03926	1.1
67.05498	15.1
69.03432	1.1
69.07066	3.5
71.04976	3.5
71.08617	9.3
71.41360	1.1
72.08151	2.5
76.02221	58.8
76.04016	1.9
77.00574	1.5
79.05491	2.6
81.07037	4.6
83.06084	2.9
83.08598	2.0
84.04492	15.3
84.08131	2.6
85.02884	1.5
86.99052	1.7
87.02680	1.6
88.02215	1.7
89.00616	12.8
91.05475	2.2
95.04952	1.2
95.08595	1.5
97.10156	6.4
99.08076	12.5
105.07061	1.7
107.04908	1.9
107.08595	3.2
109.10138	11.9
116.01662	11.6
117.07041	1.6
121.02859	4.9
122.03177	1.5
123.04424	2.6
126.12766	3.4
127.11182	27.3
129.06580	5.5
130.05008	5.8
135.04384	1.5
142.03230	4.1
144.01161	6.8
145.06233	1.2
147.04420	2.0
157.46423	1.0
158.41113	1.0
159.08376	100.0
159.65294	1.0
159.79427	1.1
160.08704	2.6
160.78322	1.4
162.02185	24.0
163.03896	4.1
167.07059	2.0
170.02820	1.9
177.52069	1.1
177.97588	1.1
179.04845	37.2
181.04939	4.4
184.11560	4.9
187.05356	3.7
189.63580	1.2
202.12584	20.8
202.14293	2.2
215.04895	2.0
233.05878	8.1
233.07971	2.2
264.10925	1.1
271.06104	1.5
272.06345	1.9
287.14203	71.1
288.12045	1.8
288.14951	1.8
298.09906	2.1
305.15250	5.0
308.09274	1.9
326.10965	3.1
354.10501	2.5
359.16287	16.3
366.10590	2.5
398.13101	3.9
402.12509	1.8
416.13782	3.0
434.14648	1.7
435.10464	2.0
436.06448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.1
57.03431	18.1
59.05004	1.6
60.02047	1.6
61.02925	17.0
69.03429	33.6
69.35840	7.5
70.06590	12.9
71.01350	6.6
71.04992	2.3
73.02915	72.6
74.03270	1.6
81.03413	6.6
85.02902	100.0
85.70285	1.4
86.09705	2.2
87.04462	6.5
91.03951	6.0
91.05454	2.7
95.04962	2.6
97.02257	3.1
97.02890	60.4
99.04463	1.7
103.03915	2.3
105.07024	18.5
109.02882	7.5
112.08740	3.1
115.03928	29.1
119.04866	2.0
119.08588	1.5
121.02859	5.7
122.03251	2.2
127.03910	33.7
133.04967	34.9
133.06506	3.0
137.02316	4.2
145.04948	53.7
147.04404	5.6
147.08009	3.7
149.05992	1.6
150.07591	4.2
163.03912	2.5
163.06020	23.8
176.52007	1.5
180.06525	2.7
181.04939	3.1
182.05431	1.7
193.04979	2.8
199.06046	2.2
201.09109	4.8
212.09181	3.8
219.10092	3.3
223.05969	7.0
225.07423	1.5
225.17053	2.4
229.07202	1.4
230.10278	3.1
241.07083	8.0
246.78433	1.5
259.08121	6.9
273.16730	2.4
277.09094	2.6
285.13220	3.7
295.10211	3.2
312.09467	3.0
340.09167	1.9
384.12125	1.7
385.13702	1.6
399.10461	1.8
417.11456	2.3
434.19244	10.0
435.21902	24.2
435.27252	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87274	1.9
56.41759	1.6
57.03432	19.4
58.15804	2.0
59.04999	3.2
61.02917	3.6
69.03426	70.6
69.58747	7.8
71.36602	1.8
71.54447	1.7
73.02911	2.9
73.36124	2.0
75.21732	1.7
81.03423	5.0
83.04987	2.7
84.63069	1.8
85.02904	66.9
87.04462	50.6
91.05453	2.5
97.02888	60.1
97.03489	3.9
99.04469	4.2
105.07040	4.8
109.02877	3.8
115.03925	97.9
121.02857	10.8
122.03182	3.3
127.03894	12.3
133.04961	100.0
145.04945	23.3
147.04405	3.5
147.07967	2.7
148.03944	4.8
150.07608	11.6
154.15041	1.8
163.03952	2.7
163.06020	7.6
165.05315	1.9
180.06531	12.8
181.04877	2.2
183.38289	1.8
189.09076	2.4
212.09187	11.9
219.10144	2.3
230.10220	7.4
240.07190	2.9
251.73599	2.0
256.06915	3.0
259.08078	2.3
269.65311	1.9
295.10349	3.1
305.99954	2.0
314.12076	2.5
356.11795	2.4
368.16544	2.2
384.11713	5.4
398.12930	2.2
402.12802	4.4
416.14160	6.0
434.15253	7.7
434.21124	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87031	2.0
52.62954	2.0
57.03426	9.7
61.02924	2.2
62.48341	2.1
69.03419	7.0
69.26212	10.2
70.06586	8.7
73.02908	3.1
75.04465	5.0
81.03403	4.0
84.04507	4.9
85.02907	19.3
87.00835	3.3
89.89613	2.0
91.05463	11.6
95.04913	2.3
96.04441	3.1
97.02860	7.0
103.05451	32.6
105.03409	3.9
105.07024	3.1
106.03731	2.8
107.04959	6.6
109.02883	3.4
109.06559	2.1
110.03648	3.7
110.06022	3.7
112.73110	2.0
119.04930	14.5
121.06480	3.5
123.04411	13.5
124.05202	4.3
127.03910	5.9
127.23386	1.9
130.04996	25.1
131.04912	100.0
135.04411	4.5
135.08061	3.4
137.05974	22.9
138.06786	13.9
145.04959	3.9
147.04398	3.9
148.05197	11.4
151.07520	14.9
161.05995	4.8
163.03908	5.2
163.07541	65.2
164.07896	2.3
165.09448	2.2
166.06226	16.2
168.02876	13.2
169.03223	8.6
179.06961	4.1
181.08588	24.3
186.06635	4.7
186.09152	8.9
187.03914	5.8
188.04268	2.8
193.08589	3.9
219.10204	3.5
234.03983	9.2
235.04259	5.2
237.11226	13.1
255.12280	50.8
280.04535	4.8
281.04840	8.8
284.06079	3.0
285.06281	7.3
286.06601	8.4
304.08020	6.0
305.08383	6.1
314.07120	3.7
399.09109	4.4
416.11948	3.8
417.10114	6.7
434.13736	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	434.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05509	7.5
57.03415	0.9
58.45705	0.9
59.04937	0.9
61.40015	0.9
63.66216	1.1
67.05502	15.4
69.03424	2.7
69.07051	3.4
69.86987	2.3
71.04992	1.4
71.08631	12.1
72.08144	1.1
79.05496	5.4
80.05004	4.0
81.03416	2.5
81.07062	5.6
83.04968	4.5
83.08609	2.9
91.05466	4.8
93.07056	4.7
95.04953	3.0
95.08614	5.1
96.04479	2.3
97.02891	3.1
97.10178	2.8
99.08096	7.5
105.07024	1.6
107.08595	2.8
109.10169	7.0
111.04428	1.1
119.04933	1.8
121.10144	1.3
124.03948	100.0
125.04260	1.4
125.05103	1.0
125.09559	1.3
133.10066	1.3
135.08035	1.4
137.09592	1.4
139.11168	4.2
147.04399	9.2
147.11632	1.3
151.11183	9.5
155.08432	0.8
171.73723	0.9
173.11821	1.0
189.05489	2.7
195.13821	4.1
196.22044	1.0
202.53136	1.0
251.35855	0.9
262.14371	4.5
280.15427	9.4
293.21130	7.7
403.07776	4.8
434.18713	5.4
434.25345	70.6
435.11273	3.4
435.17017	1.6
435.25510	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	434.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63148	0.2
53.03937	0.4
55.01863	0.8
55.05507	4.9
57.26145	0.2
67.05502	2.9
69.03433	0.5
69.07066	7.9
69.23714	0.4
69.24108	1.1
78.03422	0.6
79.05498	3.1
80.05020	2.6
81.07050	3.0
83.05005	0.4
83.08616	2.6
84.41382	0.2
85.06496	0.2
91.05482	1.9
91.68794	0.2
93.07038	1.7
95.04968	0.4
95.08595	2.2
96.04497	1.6
96.63284	0.2
97.06500	0.4
97.10168	5.3
105.07030	1.7
107.08587	3.1
109.06564	0.2
109.10143	0.7
111.08073	0.4
117.07026	0.5
119.08568	1.2
121.10122	0.6
124.03945	100.0
125.04306	1.8
125.09621	4.4
131.08563	0.5
133.10123	1.5
135.08041	0.6
135.11716	0.3
143.08562	0.2
143.10680	0.4
145.10092	0.4
147.11679	0.7
149.09618	0.6
153.09077	0.4
159.11699	0.3
161.13318	1.0
171.10153	0.6
171.11542	0.2
173.13286	0.2
179.14265	0.4
182.14180	0.2
189.11214	5.1
227.05247	0.3
239.17844	0.2
257.18893	0.3
275.20084	2.1
349.12402	0.3
391.13559	2.8
434.25491	1.2
435.12601	6.6
435.18704	0.3
435.26593	0.2
437.49167	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	435.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68802	0.6
73.02910	1.4
75.16473	0.6
89.06023	2.9
91.37556	0.5
105.63257	0.7
111.45580	0.6
133.08553	1.5
167.03177	0.7
183.66782	0.7
186.06467	0.9
187.07323	0.8
227.05275	2.5
271.04153	3.5
349.12433	6.1
373.12537	1.3
391.13593	47.8
392.14056	2.7
435.12589	100.0
436.12933	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1282
Annotation	coreopsin
Peak:m/z	Relative Intensity
53.03938	1.1
55.01865	0.9
55.05511	6.3
57.03424	0.5
63.70553	0.5
69.03429	4.3
69.25695	1.2
69.26094	2.0
75.93113	0.5
79.05490	1.4
81.03432	1.2
83.04978	24.7
85.02901	1.7
89.03917	9.0
89.58981	0.4
95.04980	0.9
97.02913	2.4
98.23521	0.8
99.04501	0.5
99.60509	0.5
103.05451	0.5
107.04956	2.4
109.02912	0.9
111.04452	4.4
115.05463	0.7
117.03378	10.8
123.04408	3.8
127.03896	0.9
131.04948	0.8
135.04414	21.6
145.02849	14.0
147.04385	1.2
151.03914	6.7
157.06465	1.3
161.06000	2.0
163.03899	100.0
164.04218	1.8
169.05034	0.7
173.05975	1.1
175.03841	1.0
175.07486	0.8
177.05496	1.1
181.04973	0.9
183.08052	0.7
185.06052	0.9
187.03912	0.9
189.05431	0.7
199.07544	1.5
201.05457	1.8
203.07074	1.2
211.07523	1.2
213.05513	0.6
217.08629	0.9
227.07040	2.5
229.08569	1.6
231.06599	1.5
233.08113	0.7
245.08083	2.5
255.06516	0.6
271.05972	2.0
272.06360	1.7
273.07205	6.5
307.08072	1.0
313.09250	0.5
360.44473	0.5
398.31085	0.5
417.11914	0.8
435.12546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	coreopsin
Peak:m/z	Relative Intensity
53.03929	2.8
55.01860	1.1
55.05508	5.8
55.09411	0.7
57.03419	1.4
58.99960	0.6
61.55442	0.7
63.02363	0.8
67.05502	1.4
69.03425	4.8
70.06590	0.7
71.04973	0.9
73.02914	0.8
79.05479	2.2
81.03413	10.4
83.04977	23.2
85.02901	4.1
89.03917	8.2
91.05444	0.9
94.45365	0.6
95.04979	2.3
97.02895	3.7
99.04445	1.6
103.05450	0.7
107.04954	3.3
107.58273	0.6
109.02867	4.3
111.04441	6.1
115.05450	0.6
117.03370	10.5
121.06505	1.3
123.04411	6.7
127.03938	3.2
128.06253	0.7
131.04926	1.7
135.04411	21.7
137.05951	1.3
145.02841	13.6
145.04819	0.8
147.04399	1.6
149.05978	1.4
151.03896	6.2
152.10698	1.1
153.07036	1.3
157.06464	1.0
161.05972	1.9
163.03897	100.0
164.04239	2.5
167.07036	1.6
171.08018	0.8
175.03880	2.7
175.07532	1.5
176.04741	0.9
177.05496	1.6
177.09084	2.6
178.09497	0.9
181.06470	1.1
183.08113	0.8
185.05939	1.4
187.07420	0.9
199.07545	2.3
203.06990	2.0
209.06041	0.7
213.05457	1.3
217.08537	0.7
227.07083	4.7
229.08559	1.5
231.06607	1.1
233.08308	0.9
245.08055	2.7
246.14948	0.7
255.06473	3.3
273.07486	6.1
289.07062	2.3
307.08115	2.8
310.24918	0.8
318.20554	2.8
319.20966	1.0
325.03018	0.7
417.11694	2.4
435.12729	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	435.1288
Annotation	(2S)-5,6,7-Trihydroxyflavanone 7-glucoside
Peak:m/z	Relative Intensity
55.01858	1.2
57.03429	1.6
61.02916	2.2
62.66290	1.0
68.99788	1.4
69.03429	4.7
70.70953	1.6
71.04996	1.3
73.02915	1.4
73.89639	1.0
81.03416	2.8
85.02904	20.7
91.05453	1.9
97.02895	6.3
99.04468	1.0
103.05477	6.1
103.06035	1.1
105.07020	1.2
113.02339	1.1
123.00806	1.7
127.03947	3.9
131.04921	22.2
145.04974	2.0
167.07104	1.1
169.01323	53.8
170.01643	1.2
173.06030	2.3
177.05605	1.5
181.01364	1.4
187.02400	2.3
199.02316	2.1
222.84018	1.1
265.14868	1.2
273.07568	100.0
274.07996	4.6
275.16428	1.2
285.07672	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
65.03940	3.4
67.05499	2.4
69.03424	3.9
69.59077	3.5
70.06574	3.3
72.08121	0.9
72.42101	0.9
81.03413	6.5
84.08146	1.5
85.02908	8.1
86.03250	1.2
86.09694	1.5
86.31110	0.7
87.00836	2.0
93.03412	1.9
95.04949	1.1
97.02885	3.8
105.01878	1.9
109.02885	3.4
111.04459	3.7
120.08109	2.5
125.06003	3.0
125.17822	0.9
126.56563	0.8
127.03912	4.6
129.10226	1.1
141.05490	2.5
145.04948	1.6
147.04391	1.1
151.03900	100.0
151.04965	6.5
152.04253	2.6
169.04935	7.9
169.23985	0.9
170.05333	0.9
192.64653	1.1
232.05318	1.1
258.52203	0.9
295.08026	5.1
313.08997	4.1
435.18329	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	435.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	3.9
64.77075	4.0
65.03938	4.2
67.05495	6.5
68.85406	3.5
68.99789	9.5
69.03425	9.5
70.06588	17.4
71.04992	5.9
79.05508	5.6
80.98160	3.8
81.03415	8.9
81.07084	5.5
83.04939	3.9
85.02900	6.0
86.09687	4.4
91.05454	14.2
95.04968	8.9
105.07047	9.0
106.02927	9.2
107.04969	9.8
111.04459	5.2
112.08787	3.9
115.08644	3.9
116.84802	3.4
119.04921	24.1
120.08075	15.4
121.02876	31.4
121.06518	6.9
123.04427	8.4
123.08067	6.7
124.03959	11.1
125.05946	5.9
133.06442	10.5
135.04395	7.3
137.02351	46.4
137.03400	5.9
141.05453	5.7
147.04408	100.0
149.05978	5.7
151.03915	74.6
151.05014	8.5
151.07536	32.7
152.07904	29.3
153.05440	9.1
161.05969	4.8
163.07549	3.6
165.01776	3.6
171.07614	5.7
173.06017	4.8
177.05478	6.5
179.03398	5.5
179.06999	7.3
181.04948	8.2
181.06429	3.7
189.05478	5.4
191.06998	5.1
193.04944	8.2
193.08577	5.2
213.09344	4.7
219.06363	7.9
219.08224	4.9
227.07050	4.0
229.04967	16.3
229.08667	5.7
241.08717	5.8
247.05948	19.9
255.06680	7.2
256.06683	4.6
265.06927	11.1
268.08002	8.6
273.11261	9.1
273.16656	11.9
279.08670	10.5
283.09662	7.2
287.05545	7.1
297.09598	10.8
309.07407	4.2
311.09097	5.7
327.08621	5.8
331.04694	3.5
339.12335	4.6
349.10703	8.5
355.07959	9.0
355.11743	5.8
360.86118	3.7
367.11823	8.8
373.12875	9.8
399.10559	9.4
417.11374	6.7
435.13489	26.0
435.22186	96.6
435.27689	4.3
436.22290	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	435.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
63.18865	0.4
67.05524	0.4
68.99782	1.4
69.26954	2.1
70.06578	0.7
73.06988	0.4
79.05499	0.8
81.03432	0.6
86.06055	0.5
91.05478	1.1
93.07008	0.5
95.04935	0.4
97.06516	0.6
98.22733	0.8
105.07035	0.5
107.04964	0.8
109.06526	0.7
111.04401	0.5
119.04922	1.1
119.08553	0.5
120.08118	0.6
121.02851	2.1
121.06507	0.6
121.44312	0.3
123.04438	0.5
133.06453	0.7
135.04420	1.0
137.02342	15.7
137.03424	1.2
147.04376	4.8
147.07884	0.5
149.05963	1.8
151.03889	0.7
153.05450	0.6
161.02408	0.6
163.03886	0.5
175.07581	0.8
177.05487	0.9
179.03349	0.5
179.07051	0.7
180.06541	0.9
185.00806	0.6
189.05510	0.4
193.04964	0.8
195.06602	0.5
200.77090	0.3
201.84143	0.5
213.09587	0.6
219.06483	0.5
221.04482	0.7
229.04977	1.9
230.10262	0.6
238.38171	0.4
239.05351	0.8
247.06036	2.0
255.06523	0.9
261.07388	0.6
265.07074	1.5
268.07468	0.5
271.05981	0.8
273.16693	11.7
273.19681	0.8
279.08627	1.2
283.09650	2.7
287.05548	0.5
307.09692	0.5
309.07410	0.5
311.09207	1.6
313.10587	0.6
325.10895	0.7
327.08633	2.2
327.12070	0.6
349.10736	1.2
353.10062	0.5
355.08005	2.4
355.11899	1.4
367.11719	0.7
368.12036	0.4
371.11307	0.7
373.08829	0.6
373.12842	2.4
381.09525	0.6
399.10483	3.9
411.25110	0.5
417.11664	4.5
435.13428	7.7
435.21991	100.0
436.13361	1.0
436.22418	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	435.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33500	2.8
55.05511	12.1
56.19778	4.0
57.03437	3.9
67.05503	15.8
69.03426	27.6
69.07021	2.8
69.12531	19.9
70.65582	3.5
71.04965	3.8
73.29424	2.9
77.50449	3.1
79.05479	7.9
81.03412	19.3
81.07042	19.5
83.04967	26.7
83.08624	3.1
91.05475	11.3
93.07034	17.8
95.04963	7.4
95.08601	22.9
105.07033	18.5
107.08587	14.3
109.06518	4.1
109.10167	6.6
111.04440	50.5
119.08566	21.7
121.06508	4.2
121.10152	11.9
124.03938	10.2
127.01558	7.4
129.07010	7.0
131.08571	17.4
133.10106	17.0
135.08070	4.2
135.11690	4.7
142.07831	3.6
143.08556	12.2
145.06448	3.2
145.10110	38.3
147.08044	5.3
147.11670	12.1
155.08548	6.2
156.09329	4.7
157.10078	15.3
159.11693	34.7
161.09528	4.1
161.13280	8.6
163.11195	4.3
167.08536	4.3
169.10117	15.3
170.10950	4.3
171.11697	12.9
173.13289	7.9
175.14763	5.6
177.16330	21.0
179.08588	3.7
181.10147	8.0
183.11705	8.6
185.09605	4.6
185.13255	11.0
187.11244	3.7
187.14804	100.0
188.15126	5.4
189.12753	3.9
193.10214	4.8
194.10822	4.7
195.11649	7.6
197.13219	16.4
198.14012	3.2
199.14832	4.2
201.12845	3.7
201.16383	3.6
203.14325	9.1
205.10213	3.5
205.15874	52.8
207.11679	3.9
209.13181	8.0
211.14799	10.0
213.16295	3.5
215.10770	3.2
215.14348	13.5
219.11794	3.9
223.14819	5.9
225.16383	5.8
229.15804	4.2
235.14786	7.1
241.19498	4.6
251.17975	10.7
253.15805	6.0
269.18936	11.1
279.17517	18.8
297.18503	25.7
315.19666	9.3
340.75278	3.8
356.73724	3.3
373.61145	3.1
388.53705	3.3
402.80283	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2507
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.01893	3.9
55.05505	23.5
57.03429	10.3
57.07067	7.8
67.05508	56.1
69.07062	24.4
69.22956	12.4
69.23367	12.9
71.05008	4.2
79.05494	12.7
81.07066	60.3
82.63293	4.7
83.08600	19.7
91.05508	8.3
92.31614	3.9
93.07033	15.5
95.08607	50.5
97.10158	9.2
98.98468	83.3
105.07040	10.0
105.49737	4.8
107.08586	12.9
109.10154	14.5
119.08603	4.7
121.10139	11.3
123.11668	9.2
133.10123	6.4
135.11638	7.3
155.01053	17.8
161.13274	5.7
173.02097	10.0
189.16364	4.2
245.22604	7.2
263.23755	17.1
302.92548	4.0
337.27286	100.0
338.27655	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	435.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.05497	2.2
57.07068	3.5
67.05492	2.6
68.68606	1.0
69.03425	2.3
69.07053	3.0
69.29190	6.0
71.04987	2.0
71.08618	3.0
79.05492	9.1
81.07044	6.6
83.04991	2.5
83.08597	1.7
85.06532	1.2
85.10166	2.0
87.04488	1.2
89.06011	11.0
91.05478	8.8
92.34971	0.9
93.07035	10.9
95.04958	6.5
95.08610	5.2
97.06539	2.1
103.05446	4.3
105.04504	1.6
105.07021	100.0
106.07353	4.4
107.08582	8.1
109.06496	14.6
109.10130	3.2
111.08096	2.1
117.06974	2.4
119.08566	7.6
121.06494	15.7
121.10123	8.6
123.08070	2.6
125.09572	2.1
128.06293	1.3
129.07004	3.2
131.08598	6.4
133.08595	6.3
133.10118	3.7
135.08075	5.2
137.09602	2.3
139.07558	1.5
141.06920	1.2
142.07736	3.5
143.08565	6.0
144.09302	1.7
145.10144	7.1
147.08018	3.5
147.11671	2.8
148.70813	1.4
149.09601	3.0
155.08464	2.1
156.09369	2.9
157.10120	5.2
159.08073	2.7
159.11674	3.8
161.09666	1.2
165.06985	1.8
165.09085	7.5
167.10683	5.6
169.10136	2.9
171.11694	4.3
173.09615	1.1
173.13196	2.9
175.11183	1.3
179.08542	1.8
181.10065	3.1
182.10806	1.5
183.11668	3.3
194.10840	1.5
195.11720	4.3
197.13213	2.8
199.11163	2.5
201.12712	2.0
207.11670	2.8
209.13234	3.3
213.12744	2.4
215.14388	2.6
220.12411	1.1
221.13281	1.9
223.14886	1.2
225.12737	1.3
227.12756	18.5
227.14755	1.8
233.15314	2.9
235.14836	1.9
239.14711	1.2
253.15836	1.5
259.14618	1.3
285.18448	3.1
344.88269	1.1
407.79971	1.3
417.27585	2.1
418.71237	1.1
418.77200	1.1
434.60617	1.1
435.28909	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.4
59.07351	1.5
60.08161	16.3
67.05476	1.1
70.06579	1.7
70.18140	2.9
72.08155	34.5
82.06618	1.1
84.04500	1.1
84.08140	35.4
85.06511	1.5
86.09709	5.8
88.64391	1.3
89.09245	1.1
97.23553	1.1
103.05471	3.3
103.75609	1.1
120.08098	72.4
121.08447	1.6
129.10246	1.5
130.08636	16.9
134.09639	7.2
143.08131	1.5
175.14391	2.3
189.15958	11.0
219.14888	6.2
229.15498	1.4
263.58664	1.3
279.37399	1.0
288.22861	1.3
325.41968	1.0
329.21967	1.4
435.29651	100.0
436.29959	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01858	8.7
57.03428	5.3
61.02913	7.4
66.67211	2.4
68.99792	5.7
69.03424	36.1
70.93061	3.7
70.95781	2.3
71.04985	5.6
73.02902	9.4
79.05478	2.9
81.03423	31.3
85.02901	100.0
87.00825	36.0
97.02888	33.5
97.18018	2.1
99.04443	13.2
104.60287	2.4
105.01859	27.4
107.04958	11.3
108.04470	10.7
109.02869	32.0
110.03136	2.5
111.04444	16.8
117.01851	4.5
125.05997	3.2
126.05536	5.3
127.03911	59.7
129.01862	8.5
135.04366	4.1
139.03896	50.7
145.04950	27.2
147.02864	5.9
159.02878	15.0
163.03908	12.9
169.04929	4.4
171.06529	61.7
177.05429	3.9
181.04945	5.9
189.03860	3.2
195.06516	26.4
213.07544	19.6
230.06584	2.4
231.04929	11.9
232.96417	2.2
237.07533	11.7
248.07718	3.6
261.07568	10.3
279.08578	16.1
295.20364	2.3
299.20697	2.2
427.55084	2.4
436.43097	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	436.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73708	2.2
53.03951	12.0
55.01868	12.9
57.03432	6.9
60.04492	2.5
61.02923	6.8
65.03949	3.9
66.40076	2.3
68.99796	5.7
69.03432	38.3
69.21413	6.0
69.21811	11.2
71.04981	5.8
73.02913	15.2
81.03416	37.1
81.03854	4.7
81.78042	2.3
85.02905	100.0
85.83452	2.9
87.00829	41.2
87.04463	3.7
93.03355	2.7
97.02895	38.3
98.22738	6.3
99.04464	17.6
103.03934	4.1
105.01875	34.1
107.04960	9.2
108.04485	9.5
109.02879	36.8
111.04429	20.7
115.03940	2.7
117.01891	7.0
126.05528	2.8
127.03916	75.9
128.00717	2.9
129.01846	5.0
135.04448	2.8
139.03905	41.2
145.04971	29.9
147.02927	6.1
159.02919	24.4
163.03931	16.4
169.04985	4.4
171.06540	75.7
172.06889	3.0
177.05452	3.5
181.03477	2.6
181.04965	6.3
189.03922	5.7
195.06522	31.7
207.06595	3.3
213.07545	25.3
230.06584	3.8
231.05118	12.0
231.07117	2.5
233.07962	2.6
237.07529	18.8
248.07698	5.5
261.07611	11.9
279.08777	19.7
360.86896	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	436.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94281	4.5
69.79094	15.0
70.06583	17.4
72.08158	11.0
78.29263	4.1
79.05490	5.8
81.03414	9.7
84.08150	14.1
85.02901	5.5
86.09685	9.9
95.04977	10.4
97.02883	7.4
106.66402	4.6
107.41642	4.7
119.08608	4.9
120.08080	15.5
121.02865	100.0
122.03170	4.8
124.03957	7.0
139.03903	19.9
147.04425	9.8
156.93690	4.7
170.09547	6.2
238.77269	4.9
247.06134	8.9
265.07028	16.8
283.08090	23.8
289.12189	5.3
383.11151	5.7
436.06329	20.4
437.14413	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	436.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.0
51.02363	0.1
52.01902	0.0
52.03160	0.1
53.03922	0.2
55.01854	0.1
55.05506	0.1
59.04985	0.0
65.03938	0.1
67.05502	0.3
68.05020	0.1
69.03429	0.0
69.07053	0.1
77.03889	0.0
78.03444	1.0
79.04187	0.2
79.05479	0.3
80.05008	5.0
81.03419	0.1
81.05350	0.1
81.07052	0.3
83.04982	0.1
83.08662	0.0
85.06533	0.1
91.05464	0.4
93.03374	0.0
93.07044	0.4
95.04972	0.3
95.08582	0.3
96.04482	3.8
97.04834	0.1
97.06495	0.1
103.05540	0.0
105.07014	0.7
106.02898	1.1
107.04964	0.1
107.08569	0.3
109.10095	0.1
111.03185	0.1
111.04450	0.4
111.08086	0.0
115.05427	0.1
117.06984	0.2
119.04926	0.1
119.05988	0.0
119.08569	0.9
120.08968	0.0
121.06495	0.1
121.10126	0.3
122.02416	0.1
123.08072	0.1
123.83564	0.0
124.03934	100.0
124.23945	0.0
125.04272	1.8
125.05972	0.2
127.03865	0.2
128.06146	0.1
129.07013	0.2
130.07788	0.1
131.08566	0.4
133.06493	0.1
133.10124	0.5
135.08112	0.1
135.11716	0.1
137.05975	0.1
140.03380	0.2
141.06895	0.1
142.07770	0.2
143.08554	0.4
144.09273	0.1
145.06488	0.1
145.10089	0.5
147.08104	0.1
147.11676	0.2
149.05844	0.1
149.09618	0.1
151.07529	0.1
153.05434	0.1
153.07002	0.1
154.07747	0.1
155.08539	0.3
156.09265	0.2
157.06516	0.0
157.10123	0.6
158.10818	0.1
159.07980	0.2
159.11659	0.5
160.12460	0.1
161.09634	0.2
161.13234	0.8
162.13560	0.0
163.07434	0.1
163.11143	0.1
165.06984	0.1
167.08546	0.2
168.09282	0.1
169.10130	0.5
170.10887	0.3
171.07986	0.1
171.11642	0.4
172.08778	0.0
172.12459	0.1
173.09593	0.1
173.13231	0.2
175.07542	0.1
175.11166	0.3
176.11948	0.1
177.09103	0.1
179.08505	0.2
180.09312	0.1
181.10100	0.2
182.10841	0.1
183.08017	0.1
183.11636	0.4
184.12482	0.0
185.09578	0.1
185.13280	0.2
187.07593	0.1
187.11140	0.3
187.14751	0.1
189.09077	0.1
189.12703	0.1
192.09247	0.0
193.10139	0.2
194.10875	0.1
195.08197	0.0
195.11650	0.2
196.12404	0.1
197.09518	0.1
197.13303	0.2
199.11160	0.1
201.09099	0.1
201.12685	0.0
203.10602	0.0
203.14256	0.4
205.08548	0.0
205.10184	0.0
206.10852	0.0
207.11664	0.1
208.12483	0.1
209.13271	0.3
210.13760	0.1
211.11169	0.1
211.14742	0.3
212.15112	0.0
213.09055	0.1
213.12663	0.0
215.10831	0.1
215.14424	0.1
217.12303	0.0
219.11664	0.0
220.12538	0.1
221.13237	0.1
223.14723	0.1
224.15591	0.1
225.12782	0.1
225.16359	0.3
226.16956	0.0
227.10699	0.1
227.14366	0.0
227.17921	0.0
229.12233	0.0
231.10220	0.0
234.14090	0.1
235.14944	0.1
237.12737	0.0
238.13577	0.0
239.10641	0.1
239.14285	0.1
239.18062	0.0
241.12163	0.0
243.13756	0.0
249.16486	0.1
251.14137	0.0
251.17989	0.0
253.12589	0.0
253.15797	0.3
255.13762	0.1
267.14032	0.0
267.17447	0.3
269.15341	0.1
271.16855	0.4
272.16983	0.0
277.15866	0.1
285.18576	0.0
295.16919	0.5
296.17352	0.0
310.17966	0.0
313.17905	0.4
326.17215	0.0
436.21130	10.6
437.21466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
50.93505	0.1
51.02370	0.2
53.03935	0.3
53.65009	0.1
55.01844	0.1
55.05501	0.5
63.02398	0.1
65.03914	0.2
67.05504	0.8
68.05008	0.1
68.65506	0.1
68.78310	0.1
69.03419	0.5
69.07057	0.4
71.04978	0.1
71.43703	0.1
75.32151	0.1
78.03442	4.4
79.04212	0.2
79.05478	0.7
80.05006	4.5
81.03412	0.2
81.05332	0.1
81.07050	0.8
83.04957	0.3
83.08622	0.1
85.06516	0.1
91.05466	1.2
93.03370	0.1
93.07030	1.5
95.04972	0.5
95.08596	1.6
96.04480	3.8
97.02876	1.1
97.06499	0.3
102.00078	0.1
103.05450	0.1
105.07020	1.9
106.02901	9.5
107.03246	0.1
107.04926	0.1
107.08582	1.1
107.09251	0.1
108.04462	1.0
109.02843	0.1
109.06510	0.5
109.10131	0.2
111.04449	0.3
115.05328	0.2
117.06997	0.6
119.04912	0.1
119.06033	0.1
119.08566	3.2
120.08934	0.1
121.06480	0.4
121.10121	1.0
123.08048	0.2
123.11687	0.1
124.03934	100.0
125.04277	1.7
125.05942	0.4
127.01573	0.3
127.03931	0.1
128.06227	0.3
129.06989	0.8
130.07768	0.2
131.08554	1.3
133.06406	0.1
133.10118	1.6
135.08038	1.6
135.11658	0.2
137.06012	0.1
137.09521	0.1
139.03868	0.1
139.07518	0.1
140.03381	0.1
141.06950	0.5
142.07771	0.9
143.08553	1.4
144.09294	0.3
145.06483	0.3
145.10104	2.3
146.10512	0.1
147.08038	0.5
147.11656	1.6
149.05945	0.1
149.09608	0.2
151.07561	0.1
153.06967	0.3
154.07742	0.2
155.08521	1.1
156.09317	1.0
157.10100	2.2
158.07248	0.1
158.10873	0.5
159.08014	0.9
159.11655	1.8
160.08775	0.2
161.09587	0.9
161.13239	0.2
165.05508	0.2
165.07005	0.3
165.09079	0.1
167.08566	0.6
168.09337	0.3
169.10117	1.6
170.07277	0.1
170.10866	0.9
171.08012	0.2
171.11670	2.0
172.08836	0.3
172.12355	0.3
172.40268	0.1
173.09586	1.8
173.13235	1.2
174.10332	0.3
174.13983	0.1
175.07567	0.1
175.11176	0.7
175.14784	0.4
177.09077	0.2
178.07825	0.2
179.07068	0.1
179.08475	0.5
180.09290	0.3
181.10094	1.1
182.10864	0.5
183.07993	0.1
183.11649	2.0
183.13307	0.1
184.12401	0.2
185.09583	0.8
185.13245	1.2
186.10353	0.3
186.13995	0.2
187.07588	0.1
187.11157	1.2
187.14789	1.4
188.12051	0.4
188.15472	0.1
189.09091	0.2
189.12662	0.5
191.08504	0.1
191.10638	0.1
192.09323	0.3
193.08458	0.1
193.10091	1.0
194.10847	0.4
195.08078	0.1
195.11661	0.9
196.08827	0.1
196.12383	1.0
197.09500	0.5
197.13220	1.6
198.13954	0.4
199.11261	0.4
199.14752	0.4
200.11946	0.2
201.09134	0.3
201.12700	1.0
203.10641	1.0
203.14250	0.6
205.10097	0.2
206.10858	0.4
207.11673	1.2
208.12534	0.2
209.09752	0.2
209.13214	0.8
210.10391	0.1
210.13988	0.3
211.11267	0.8
211.14780	3.5
212.11919	0.2
212.15208	0.2
213.09067	0.3
213.12802	0.2
213.16248	0.4
215.10713	0.3
215.14273	2.6
216.14969	0.3
217.08647	0.1
217.12306	0.1
217.15840	0.4
219.11786	0.3
220.12483	0.8
221.09677	0.1
221.13210	0.8
222.10376	0.1
222.13977	0.1
223.11156	0.3
223.14795	0.3
224.11922	0.1
224.15456	0.1
225.12782	0.6
225.16347	0.8
226.13338	0.1
227.10573	0.1
227.14259	0.2
229.12228	0.4
229.15762	0.3
231.10110	1.5
233.13205	0.1
234.14078	0.4
235.11247	0.1
235.14783	1.7
236.15501	0.3
237.12741	0.2
237.16272	0.1
238.13525	0.2
239.10623	0.2
239.14343	0.3
239.17915	0.5
243.10085	0.1
243.13707	0.1
244.11176	0.1
249.16344	0.9
251.14302	0.1
251.18002	0.1
252.15024	0.1
253.12306	0.5
253.15817	0.6
255.09995	0.1
255.13779	0.3
257.11703	0.8
257.15341	0.1
259.13522	0.1
262.07181	0.1
262.13461	0.1
265.12158	0.1
266.12994	0.1
267.13791	0.3
267.17444	1.0
267.19949	0.1
269.15402	0.1
269.18918	0.2
270.12662	0.1
271.13306	0.5
271.16870	0.3
274.15985	0.2
276.08716	0.2
277.15829	0.3
280.14627	0.3
284.13937	0.1
285.14862	1.1
285.18497	1.4
286.15280	0.1
292.16919	0.4
295.16888	2.3
296.17310	0.1
298.15894	0.1
313.17926	8.6
314.18323	0.6
316.11865	0.1
436.21149	5.7
437.21487	0.6
442.27368	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	436.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55490	0.8
55.05505	3.9
57.07061	0.9
65.03919	1.2
67.05502	9.5
69.07062	5.6
69.92339	2.1
71.04977	1.9
79.05486	5.6
81.07047	14.2
83.04966	1.1
83.08604	2.4
83.14439	0.7
91.05460	9.2
93.07040	8.7
95.04945	1.7
95.08017	1.6
95.08593	22.9
98.23448	1.1
102.66560	0.9
105.07018	19.4
107.08582	11.0
109.06471	1.0
109.10135	9.8
111.04425	6.4
111.08031	1.0
117.06994	3.6
119.08565	43.0
120.08891	1.4
121.06466	0.9
121.10131	6.7
123.11691	2.0
124.03950	1.9
125.05962	1.1
129.06960	2.0
130.07762	1.2
131.08537	8.1
133.10115	52.9
134.10452	2.4
135.07986	2.0
135.11662	2.5
137.05873	1.0
137.13240	0.9
139.07539	1.3
141.07011	1.2
142.07808	1.6
143.08548	5.9
144.09332	1.7
145.10109	13.3
146.10686	1.0
147.11678	16.3
149.09586	1.2
149.13251	1.5
151.07532	1.7
153.09100	1.5
155.08568	4.7
156.09276	3.3
157.10094	9.3
158.10716	1.5
159.00658	0.8
159.11685	19.2
160.12337	1.2
161.13240	6.3
163.11182	1.2
165.09077	1.6
167.08539	1.5
168.09380	1.1
169.10094	9.0
170.10855	3.4
171.11693	11.2
172.12407	0.8
173.09534	1.7
173.13234	10.9
175.14757	1.0
179.10638	1.2
181.10114	1.6
182.10898	1.9
183.11685	12.4
184.12279	2.5
185.09573	0.9
185.13231	12.3
186.14046	2.6
187.11147	4.2
187.14774	5.5
188.15620	1.5
189.09106	1.0
189.16347	4.3
191.10602	1.5
193.10181	1.0
195.11630	4.9
196.12273	1.3
197.09584	1.1
197.13235	13.1
198.13657	1.1
199.11096	2.2
199.14815	8.2
201.16365	6.3
203.10699	1.8
205.12253	4.8
207.11592	1.1
209.13234	1.2
210.13931	1.4
211.11166	2.3
211.14813	6.6
213.12695	0.9
213.16426	1.6
215.10690	1.8
215.14172	0.9
217.12303	4.9
219.13657	1.6
223.14751	1.7
224.15561	1.8
225.12712	3.2
229.12189	4.7
231.13748	2.1
237.16338	2.8
239.14204	2.6
239.17929	9.9
243.13812	7.2
243.21013	1.3
253.19455	17.5
255.21011	2.3
257.15311	4.2
263.17889	1.4
271.17297	0.9
271.20535	3.6
281.18942	10.0
282.56055	0.9
287.19827	1.1
299.20010	100.0
300.20480	6.6
317.21066	18.7
318.21249	1.2
359.22137	3.5
374.36426	0.9
394.53915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01853	0.5
55.05510	5.4
59.04982	0.2
67.05502	2.5
69.03425	0.6
69.06728	0.2
69.07062	1.2
69.65648	0.3
69.66032	0.3
71.08626	4.5
78.03455	0.5
79.05492	2.2
80.05017	2.6
81.07055	2.7
83.04970	0.4
83.08618	3.0
85.06534	0.2
91.05470	1.1
93.07041	1.4
95.04975	0.2
95.08596	1.2
96.04480	1.8
97.06522	0.4
97.10168	6.2
99.08093	3.6
105.07026	1.0
107.08589	1.9
109.10142	0.2
111.08103	0.2
113.09642	0.2
117.06993	0.2
119.08594	0.6
124.03947	100.0
125.04279	1.7
125.09628	4.6
133.10120	0.6
135.08041	0.5
135.11710	0.5
143.10603	0.2
147.11700	0.2
148.92195	0.2
151.11148	0.5
153.09143	0.4
161.13274	1.1
163.11179	0.3
171.10158	0.5
179.14322	0.7
189.11212	5.5
241.19447	0.2
277.21637	1.3
436.26965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
55.05517	0.4
57.32856	0.3
62.42090	0.4
66.74183	0.4
67.05511	0.9
69.07100	0.5
70.06586	0.5
76.06383	0.3
78.17117	0.4
79.05535	0.4
81.03416	0.5
81.07080	0.7
85.02868	0.6
87.04454	0.9
91.05452	0.5
93.07030	0.6
95.04927	0.4
95.08611	0.6
97.02869	0.3
103.05513	0.7
107.08570	0.6
119.08565	0.6
121.02886	0.5
127.01585	0.6
127.03900	0.7
129.07031	0.4
131.04898	2.4
147.04440	0.6
147.11716	0.4
153.03140	0.5
155.08566	1.8
289.04773	0.5
302.02975	0.5
304.07083	1.0
305.07809	1.1
331.05841	0.4
363.08432	3.8
377.09668	0.5
391.03482	0.6
405.09119	1.1
419.10999	1.3
437.12057	100.0
438.12289	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	437.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.1
58.81472	3.4
67.05527	3.7
69.03441	4.0
69.07114	3.2
71.43001	4.1
75.55315	3.2
81.03407	27.9
81.07056	4.0
91.05502	7.4
93.07047	4.5
99.04414	3.9
105.07037	6.8
107.08594	5.5
107.64337	3.4
109.02876	5.7
109.06424	4.7
116.02463	3.4
119.08559	6.4
124.03960	40.9
125.04222	6.3
127.03873	3.9
137.64542	4.2
141.05490	5.7
145.10175	4.5
147.04352	3.9
155.08630	4.2
171.11824	4.1
183.50423	3.9
213.61415	3.7
224.07967	3.4
225.48183	3.9
250.84451	3.8
251.91806	4.0
265.62534	3.5
292.09534	3.8
306.19724	3.3
310.04437	4.8
437.05881	4.8
437.11969	100.0
437.17368	5.8
437.21341	7.4
438.12054	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	437.1422
Annotation	Nothofagin
Peak:m/z	Relative Intensity
51.59495	0.4
54.28978	0.4
57.33709	0.4
59.70860	0.4
69.45926	1.9
70.06555	0.5
72.48608	0.4
81.04520	1.3
82.03949	0.4
86.09696	2.9
95.01099	0.7
96.01836	0.5
99.05579	0.7
106.07259	0.4
107.04915	0.5
112.01397	0.7
113.02130	1.6
120.08097	4.2
124.03964	0.6
128.00746	0.6
135.04489	0.4
156.32913	0.4
158.00035	1.0
163.03894	1.0
163.94583	0.5
177.05518	0.7
185.04228	1.8
195.15654	0.4
201.03712	0.7
208.29784	0.4
209.04134	0.8
210.04362	1.3
211.05638	0.6
216.30093	0.4
233.16531	1.0
247.05971	0.7
257.04276	0.8
261.15936	0.8
265.07080	0.8
266.32562	0.5
383.11197	1.0
390.10657	0.8
437.14157	100.0
438.14487	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	437.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80387	0.6
53.03920	0.8
65.55557	0.6
68.99786	3.4
77.03913	0.9
77.38239	0.6
78.04708	0.8
80.74043	0.7
91.05472	10.2
92.94254	0.6
95.04947	0.9
103.05463	27.5
104.06240	2.0
104.38861	0.6
105.03391	3.6
105.07027	23.1
115.05476	6.3
116.06246	8.6
117.07011	8.2
124.03958	1.8
125.99910	0.6
128.06226	1.6
129.06999	4.9
130.07790	1.7
131.04919	100.0
132.05281	2.3
133.06476	2.5
141.06981	1.2
143.08475	1.0
144.05695	22.0
145.06483	4.3
149.02333	2.0
153.06917	3.3
155.04887	3.0
155.06052	1.5
157.06461	4.9
158.07265	12.0
159.07858	1.3
165.06966	0.9
169.06430	0.7
171.04533	1.3
171.08049	2.8
173.05969	25.0
174.06290	0.7
181.06496	2.6
183.04451	1.6
183.07950	0.8
185.05963	4.0
186.06729	3.5
193.04935	3.6
193.10101	2.6
199.07520	7.9
206.10963	1.7
213.00359	0.8
213.05432	1.9
215.06873	0.9
241.04999	1.6
243.11708	0.9
244.03392	0.7
255.06215	0.8
261.12787	1.4
269.04425	1.1
271.10861	0.8
273.07578	1.5
283.06018	1.2
287.10608	0.8
289.12177	3.4
290.12988	48.6
291.13303	3.3
300.23438	0.7
315.08612	1.2
320.00186	0.9
330.70529	0.7
355.09598	2.1
359.12799	0.8
373.11081	0.8
387.12225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	20.8
55.05509	16.3
57.03430	4.4
59.05004	2.2
61.02925	4.3
67.05501	15.0
69.03426	9.1
69.07061	2.9
69.20131	12.0
71.04984	12.3
73.02912	32.4
73.57298	1.9
74.47988	1.8
79.05497	8.7
81.03399	3.7
81.07046	5.5
83.04977	15.1
83.08603	4.3
85.02895	17.0
85.06538	3.3
87.04439	2.1
92.21198	1.9
95.04964	4.5
97.02862	12.3
97.10166	7.5
98.22704	3.8
99.04461	2.0
105.07056	2.3
107.04942	4.1
107.08572	6.3
109.10143	19.3
111.04550	1.9
115.03905	6.4
119.08573	1.9
121.53712	1.8
125.05996	5.2
125.09625	100.0
126.09940	2.7
127.03945	5.1
127.11189	29.1
143.10663	22.1
145.04959	4.6
145.12221	2.9
149.09583	5.5
167.10640	12.8
224.29066	2.2
227.12926	2.1
375.79904	2.2
437.13776	5.4
437.19336	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	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43491	1.5
55.05495	5.6
67.05505	14.2
69.03426	100.0
69.07046	2.1
69.29741	5.9
74.06052	1.6
79.05487	4.7
81.03417	9.2
81.07048	8.3
83.04971	6.7
83.08572	1.6
88.07613	1.4
91.05481	6.2
93.07030	5.4
95.04964	1.7
95.08604	6.8
97.06537	2.6
99.26750	1.4
101.56645	1.2
103.05486	1.8
105.07027	5.9
106.02927	2.0
107.08587	4.5
109.06505	1.5
109.10197	1.7
113.06004	92.1
114.06399	1.3
115.05456	1.4
117.07001	5.8
119.08572	5.2
121.06502	2.3
121.10152	2.6
124.03948	21.6
125.06165	1.2
127.03922	7.3
129.06985	3.3
131.08582	4.6
133.10143	5.5
135.08037	1.8
135.11664	2.3
141.05421	1.6
141.06960	3.1
142.07797	2.6
143.08566	4.7
145.10121	8.3
147.11661	2.5
155.08530	3.2
157.10092	6.0
159.11676	8.5
166.56224	1.5
167.08524	2.6
169.10114	5.0
170.10931	2.2
171.11742	5.2
173.09538	1.8
173.13217	4.2
179.08582	2.5
181.10126	3.6
183.11674	4.0
185.13240	3.7
187.11168	2.4
187.14792	3.9
193.10245	1.6
195.11729	3.0
197.13188	2.3
199.14844	1.8
201.12711	1.5
201.16431	1.7
203.14299	1.9
205.15976	1.6
207.11578	1.8
209.13242	2.4
211.14832	4.8
213.16362	4.7
217.12280	1.5
220.12518	1.4
221.13208	2.5
229.15942	2.9
235.15005	2.7
253.19467	2.0
263.18011	2.6
275.20251	2.1
281.16248	1.5
281.18945	8.2
299.19962	8.7
317.21329	3.1
405.09415	1.6
438.22708	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	438.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03432	1.9
60.56337	1.8
67.10787	1.9
68.64914	1.8
70.06586	5.2
70.32583	2.1
71.41665	1.7
72.16393	2.1
76.86179	2.2
82.35338	1.8
84.04481	4.1
85.02906	2.8
89.37196	2.4
97.02659	4.6
102.59171	2.0
126.01067	2.9
149.86806	1.8
157.06477	2.4
184.03435	6.7
184.09720	2.4
185.04253	8.6
189.03271	2.1
201.03726	3.0
229.02550	10.6
230.03229	21.1
259.03586	53.0
260.03271	4.0
276.02588	100.0
277.02939	4.6
277.90448	2.2
302.00385	1.7
302.03888	1.9
377.02057	2.2
391.07684	7.9
392.08319	3.7
438.07840	49.1
438.13794	3.6
439.15732	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	438.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.8
61.80809	1.4
65.91396	1.3
69.77435	6.2
70.06583	4.0
70.84209	1.6
72.08134	3.1
79.05475	1.7
81.03391	5.8
83.08620	2.3
85.02876	2.2
86.36869	1.5
91.05472	4.1
93.07030	1.5
95.04953	1.5
95.08614	1.5
97.02846	1.5
99.04419	1.8
105.07033	2.1
111.08059	1.6
115.19135	1.3
119.08552	2.5
120.08078	4.0
121.02818	3.3
127.03883	2.2
136.06177	57.4
145.02872	2.3
155.10684	2.5
163.03871	1.5
173.11797	2.0
177.05478	5.8
193.12285	4.3
319.07858	11.2
319.33307	1.5
321.07257	2.9
351.08487	2.8
395.11002	52.7
420.22412	5.5
421.13062	2.2
429.69803	1.6
437.22681	2.6
438.11591	100.0
438.23160	16.1
439.09790	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26229	1.2
59.88860	1.1
69.48851	2.1
69.49268	3.9
121.02859	17.4
136.06216	2.1
139.11169	3.0
155.10649	1.4
163.03775	1.4
180.25874	1.3
182.11763	1.3
189.89845	1.2
201.05463	1.7
257.04428	2.9
259.06027	1.9
285.03934	4.7
421.09055	7.0
438.11609	100.0
439.11935	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	438.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70626	0.5
51.66532	0.5
55.01878	0.5
57.03417	1.6
61.02911	2.3
68.85912	0.6
69.03428	4.9
71.01359	0.6
73.02911	10.7
76.92236	0.6
78.03437	0.8
81.03412	1.3
82.87785	0.5
85.02902	16.0
87.04453	1.3
90.03435	2.2
97.02884	4.5
98.99966	1.4
99.04449	1.1
99.42042	0.5
109.02843	1.9
115.03921	1.7
116.19572	0.5
126.01062	70.0
126.05524	2.2
126.09120	0.8
127.01808	2.4
127.03883	4.4
127.08657	1.4
128.02579	1.4
133.04973	0.9
140.98126	0.5
144.02103	100.0
145.02412	1.7
145.04965	1.9
151.03888	1.0
151.05040	0.8
175.19542	0.6
186.03069	1.1
195.10265	0.5
213.68047	0.7
224.54790	0.6
273.27914	0.6
288.06357	1.9
306.07355	48.0
307.07611	1.7
439.15564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01856	3.4
67.05489	4.8
68.99767	2.4
69.03413	9.5
69.07038	5.8
69.23717	9.3
70.06581	4.0
79.05463	3.6
81.03413	9.1
81.07030	6.7
83.04967	2.8
83.08639	3.9
84.08128	2.4
85.02890	6.8
86.09672	3.2
87.00834	2.3
91.05468	5.8
93.07038	6.1
95.04961	7.8
95.08593	5.6
96.04492	22.9
97.02896	11.0
97.06520	3.4
99.04475	2.6
105.01819	2.0
105.07013	4.9
107.04999	2.3
107.08587	6.8
109.02866	8.1
109.06508	7.1
109.10132	4.7
111.04448	2.5
111.08064	2.8
114.30942	2.1
119.04912	1.9
119.08562	7.2
120.08110	2.7
121.02815	2.3
121.10111	3.6
123.08065	2.8
123.11701	2.7
124.03973	3.8
125.09615	3.0
127.03890	5.8
129.09120	3.7
133.06398	1.9
133.10121	3.3
135.08023	2.3
136.06163	5.1
136.25211	2.1
137.09613	4.7
139.11140	8.1
146.18079	2.0
147.08105	3.2
149.13255	2.9
150.05553	9.7
151.03885	11.4
152.04268	4.1
153.04366	3.5
155.10623	8.5
163.11052	2.7
165.09140	2.5
173.11734	5.1
188.79703	2.1
191.07060	2.6
191.14345	3.7
193.79962	2.0
215.60803	2.2
236.27634	1.9
295.05972	4.0
299.16556	2.2
319.07846	4.6
394.22913	4.0
403.17303	2.4
421.18784	2.2
438.11533	100.0
438.25455	19.3
439.11966	6.7
439.19815	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	438.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.1
51.02382	0.2
52.99875	0.1
53.03938	0.3
55.01853	0.1
55.05263	0.1
55.05510	1.0
55.77845	0.1
56.41256	0.1
57.03428	0.1
57.07066	0.2
60.71555	0.1
61.85846	0.1
65.03928	0.2
66.48816	0.1
67.05502	1.4
68.05023	0.1
69.03425	3.4
69.07065	0.3
69.08614	0.6
70.03759	0.1
71.04988	0.1
77.03941	0.1
78.03449	2.4
79.03762	0.1
79.04179	0.2
79.05486	1.2
80.05013	3.1
81.03411	1.6
81.07053	2.0
83.04979	2.1
83.08646	0.2
85.06544	0.3
89.12835	0.1
91.01642	0.1
91.05473	1.9
93.07041	1.5
95.04971	0.7
95.08596	1.9
96.04491	2.4
97.06522	0.3
103.05430	0.1
105.04515	0.1
105.07020	2.5
106.02910	3.6
107.04990	0.1
107.08588	1.4
108.04448	0.1
109.06495	0.5
109.10132	0.7
111.04441	2.5
111.08103	0.1
113.05994	0.9
115.05462	0.3
117.07008	1.0
119.06070	0.1
119.08569	2.5
121.06500	0.5
121.10123	1.1
123.08057	0.3
124.03942	100.0
125.04294	1.7
128.06155	0.4
129.07002	0.8
130.07790	0.2
131.07590	0.1
131.08559	2.0
133.06493	0.3
133.10124	1.9
135.08061	0.3
135.11674	0.4
137.09627	0.1
138.84027	0.1
140.03404	0.1
141.06961	0.6
142.07794	0.8
143.08557	1.9
144.09299	0.3
145.06453	0.2
145.10110	3.2
146.10512	0.1
147.08061	0.4
147.11655	1.2
149.09619	0.3
149.13242	0.3
152.06268	0.1
153.07030	0.2
154.07776	0.3
155.08530	1.3
156.09335	0.6
157.10126	2.6
158.10823	0.3
159.08015	0.2
159.11676	2.5
161.09602	0.4
161.13263	0.8
163.11121	0.2
165.07008	0.4
166.07753	0.3
167.08536	0.6
168.09309	0.3
169.10115	2.0
170.10867	0.5
171.08057	0.2
171.11678	1.6
172.12326	0.2
173.09532	0.4
173.13235	0.9
175.11177	0.5
175.14853	0.5
177.12744	0.1
177.16415	0.3
178.07817	0.2
179.08513	0.6
180.09291	0.3
181.10095	1.3
182.10907	0.4
183.07993	0.1
183.11671	1.6
184.12297	0.1
185.09642	0.3
185.13261	1.5
187.11192	0.5
187.14804	2.6
189.12761	0.4
189.16486	0.2
191.08585	0.1
192.09282	0.2
193.10147	0.8
194.10918	0.5
195.11668	1.3
196.12451	0.6
197.09528	0.2
197.13246	1.5
198.13943	0.1
199.11214	0.3
199.14774	1.0
201.12643	0.6
201.16399	0.6
203.10652	0.1
203.14240	0.7
205.10129	0.4
205.12041	0.1
205.15855	1.3
206.10916	0.2
207.11707	0.6
208.12440	0.3
209.09683	0.2
209.13234	1.4
210.13841	0.2
211.11232	0.2
211.14786	2.0
212.15318	0.1
213.12689	0.4
213.16267	0.5
215.14299	0.7
217.10120	0.1
217.12260	0.1
217.15881	0.2
218.10861	0.1
219.11682	0.3
220.12497	0.3
221.13239	0.5
222.13930	0.2
223.11223	0.3
223.14742	0.7
224.15288	0.1
225.12831	0.2
225.16370	1.1
226.16776	0.1
227.14294	0.8
227.17932	0.2
229.15837	1.6
231.11717	0.2
231.13815	0.1
231.17299	0.1
232.12398	0.1
233.13263	0.2
233.15385	0.1
234.14175	0.1
235.14807	1.3
236.15546	0.3
237.12700	0.3
237.16327	0.5
239.14389	0.2
239.17966	0.2
241.12228	0.2
241.15840	0.2
241.19379	0.4
246.14008	0.2
249.16374	0.2
251.14246	0.2
251.17929	1.5
253.15845	1.5
254.16266	0.1
255.13866	0.2
255.17374	0.3
259.63593	0.1
261.16376	0.4
267.17465	0.4
269.15842	0.2
269.18939	1.7
271.16940	0.2
279.17413	1.7
280.17563	0.1
285.18539	0.1
287.20041	0.2
297.18457	3.2
298.18677	0.2
315.19543	1.1
326.17413	0.5
328.19034	2.5
340.19394	0.1
373.18323	0.1
420.21808	0.7
421.21997	0.1
438.22751	7.5
439.23175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63723	0.1
52.03131	0.1
53.03940	0.2
54.09376	0.1
67.05507	0.2
69.07058	0.1
69.69709	0.3
78.03449	0.9
79.04212	0.2
79.05488	0.1
80.04541	0.2
80.05010	3.6
81.07070	0.1
91.05465	0.2
93.07036	0.2
95.08564	0.2
96.04491	2.5
98.22684	0.1
104.31142	0.1
105.07011	0.3
106.02924	0.7
109.36874	0.1
119.08561	0.3
121.10109	0.1
122.02421	0.1
124.03945	100.0
125.03526	0.2
125.04298	1.9
136.48518	0.1
143.08545	0.1
145.10139	0.3
146.55008	0.1
147.11719	0.1
156.09291	0.1
157.10149	0.3
159.11723	0.2
169.10266	0.1
171.11726	0.3
181.10175	0.1
185.13254	0.2
187.14900	0.1
189.52173	0.1
197.13232	0.2
207.11763	0.1
219.73476	0.1
315.19519	1.6
347.25955	0.3
438.22855	7.7
439.23212	0.6
439.30109	0.2
449.84818	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	438.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.05494	0.2
58.06582	0.7
59.04981	0.5
67.05482	0.5
69.07056	0.4
69.10435	0.8
69.10850	0.2
78.03442	0.6
79.04203	0.2
79.05470	0.3
80.04536	0.3
80.05010	3.3
81.07047	0.8
91.05476	0.2
93.07037	0.6
95.04992	0.2
95.08592	0.8
96.04494	2.6
104.44817	0.1
105.07037	0.8
109.10120	0.3
119.08553	0.4
121.77110	0.2
124.03940	100.0
125.04282	1.6
127.01545	0.2
131.08565	0.3
133.10100	0.2
143.08560	0.2
145.10072	0.2
152.72835	0.2
159.11703	0.2
173.15283	0.2
232.63013	0.2
266.67780	0.2
277.44238	0.2
315.19321	0.2
356.59882	0.2
386.31131	0.3
392.62701	0.2
402.33618	0.3
403.33746	0.2
438.22733	8.2
438.39224	0.4
439.23123	0.6
445.14508	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	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
57.59344	1.6
69.03429	6.5
69.07060	4.2
69.62057	6.3
71.08628	47.4
72.08978	1.9
73.02930	2.8
81.03408	7.8
81.07023	1.7
85.02899	16.9
87.00842	8.1
97.02882	8.6
99.04469	4.5
99.08089	100.0
105.01859	5.1
109.02879	5.7
124.03952	5.3
126.87691	1.4
127.03904	8.4
129.12738	12.9
145.04980	3.7
147.04407	6.5
153.06964	2.2
155.08548	66.3
155.14299	3.4
156.08891	3.8
159.02907	3.7
173.15372	50.5
174.15712	2.2
438.12418	82.8
438.22321	2.3
439.13019	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	438.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	13.9
71.32909	5.5
71.33264	3.1
81.03418	5.5
81.07046	4.7
83.04990	12.6
89.63805	3.3
91.05433	7.4
93.07047	7.8
95.08596	6.2
98.98412	5.0
105.06987	6.3
106.02919	4.4
107.08544	5.5
107.57121	3.5
111.04404	16.2
111.44254	3.1
119.08568	5.0
124.03941	100.0
128.06291	3.5
131.08548	9.6
143.08577	5.4
145.10133	7.7
157.10071	6.3
171.11655	6.2
173.13281	11.5
181.10080	4.2
183.11658	4.5
185.13303	4.7
195.11679	3.8
201.12756	5.1
204.06699	3.0
258.36572	4.0
260.25131	3.9
262.17740	3.2
297.18668	5.0
323.65665	3.4
389.19531	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37362	2.9
50.68134	3.5
51.16055	2.4
52.07446	2.8
55.05507	11.6
57.03432	6.7
57.07071	7.0
62.06082	31.8
67.05492	9.5
69.07076	19.5
69.42310	4.2
69.42703	8.4
73.71960	2.8
76.29210	2.8
79.05489	12.0
81.07043	12.8
83.08611	13.3
89.05982	3.0
93.07058	8.2
95.08607	11.9
97.06525	10.8
97.10123	4.9
98.06044	5.3
98.98475	14.7
107.08588	8.4
109.10143	5.0
121.10145	13.2
123.11730	4.5
124.03957	10.6
129.05473	8.2
131.04895	3.3
135.11661	7.9
137.33415	2.9
155.01028	10.8
195.63875	2.7
205.19489	8.5
216.06223	3.1
223.20580	6.9
246.00351	3.1
263.62845	2.9
266.24780	12.1
268.00763	5.1
297.24213	100.0
297.27579	4.9
298.37338	2.8
313.92023	2.7
372.33578	2.8
377.20819	4.6
438.19623	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	438.2849
Annotation	Nudicaulidine
Peak:m/z	Relative Intensity
55.05507	0.4
56.05024	1.4
58.06337	0.4
58.06602	6.3
61.02913	0.8
65.78262	0.3
66.61618	0.3
67.05482	0.4
69.03413	0.4
69.74742	0.7
69.75130	0.6
70.06569	0.7
71.01345	0.5
71.04987	1.3
72.08150	3.6
73.74782	0.3
79.05518	0.5
80.63599	0.3
81.03393	0.6
81.07069	0.4
83.04951	0.3
83.14554	0.3
84.08135	1.6
85.02905	0.5
85.06528	0.4
86.09704	0.4
89.79610	0.3
91.05483	1.9
93.07049	0.9
95.04951	0.5
96.08146	0.3
97.02891	0.4
98.09699	0.9
102.09171	2.2
105.04515	0.3
105.07007	1.3
107.04930	0.5
108.08110	4.4
109.06529	0.6
111.04385	0.4
115.05444	0.3
117.07030	0.9
119.08569	0.6
121.02815	0.3
121.06500	0.5
122.09660	2.3
123.04398	0.6
123.08025	0.8
124.03940	0.8
124.11223	1.1
126.01095	0.7
126.05482	0.9
127.73195	0.3
128.00764	0.7
128.06215	0.9
129.05324	0.3
129.06972	1.6
131.08537	1.6
134.09712	0.3
135.08015	0.6
136.03922	0.5
136.06155	1.1
140.10706	0.6
141.06947	1.1
143.08574	1.4
144.02196	0.3
145.10089	0.7
147.04405	0.4
152.10660	0.7
153.06975	0.4
153.76015	0.3
154.12250	4.7
154.69266	0.3
155.08508	1.0
157.10101	0.8
163.03818	0.4
165.06979	0.6
167.08580	0.6
169.10120	1.0
171.07922	0.4
172.11150	0.4
173.08266	0.6
174.12796	0.9
179.08551	0.6
181.10117	1.3
183.11714	0.6
186.12637	0.6
192.09398	0.6
193.10133	1.2
195.08197	0.4
195.11594	0.6
197.13138	0.3
205.10019	0.6
207.11652	0.7
209.04063	1.6
210.04416	1.2
211.05219	0.4
213.12671	0.4
221.13240	0.7
227.10617	0.3
248.06256	0.4
249.12813	0.4
256.04117	0.4
265.06924	0.5
277.06824	0.7
312.19321	0.4
318.86319	0.3
323.77753	0.4
324.19839	0.5
325.06970	0.4
328.18985	0.4
338.21121	0.7
342.20837	0.4
356.22238	3.4
362.23157	1.6
370.23740	1.4
384.11609	0.5
388.24765	8.1
389.25018	0.5
391.10913	0.6
402.26413	0.8
420.27380	15.3
421.27634	1.6
438.28479	100.0
439.11868	2.9
439.28809	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	438.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59665	6.7
55.05502	18.9
57.07085	8.8
67.05486	11.9
69.07041	27.2
70.98531	7.9
71.35662	9.0
89.06029	100.0
91.05486	12.5
93.07049	8.9
95.04930	8.1
95.08576	13.0
97.10149	18.3
105.07015	10.9
107.08566	22.8
107.88501	7.9
113.66192	7.4
124.03942	14.2
125.09625	13.9
127.61182	8.1
133.08609	39.9
139.50693	6.8
189.11182	17.1
239.14890	56.3
246.39655	7.6
275.20029	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.5
55.33490	1.2
55.97922	1.3
57.02322	1.2
57.07074	55.7
69.07047	5.4
71.08627	52.8
73.06536	2.7
76.62695	1.2
83.08624	1.8
85.09693	2.4
85.10177	31.5
87.04451	2.0
89.06026	100.0
95.42647	1.3
97.10139	1.6
98.23464	5.1
99.11718	5.8
107.07032	1.8
111.11693	2.6
113.13296	3.3
117.09119	2.6
125.13257	1.6
127.14803	2.4
131.61331	1.4
133.08589	51.5
151.09605	4.2
177.11201	14.5
195.12253	4.4
203.15285	1.3
221.13864	1.7
227.23506	1.5
239.14867	41.7
262.98129	1.3
271.26321	2.3
314.71503	1.7
339.20770	1.2
421.35193	26.2
422.35864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.0
57.07078	81.7
69.07067	7.9
69.20124	3.4
69.20529	7.2
71.08632	62.6
72.38448	1.7
73.06540	2.6
83.08638	3.2
85.10186	41.6
85.10703	2.4
87.04460	1.8
89.06031	100.0
97.10171	2.6
99.11720	7.0
111.11702	4.5
113.13280	7.1
125.13258	2.2
127.14851	2.8
133.08600	68.2
140.03482	1.9
149.34708	1.6
151.09653	5.2
177.11223	16.7
195.12273	3.9
221.13916	3.2
227.23636	1.6
239.14903	56.0
240.15138	2.3
421.35275	38.4
422.35300	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	439.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43120	1.2
59.34625	1.1
68.07845	1.2
69.03425	1.8
70.06592	10.6
73.02523	1.0
81.03417	5.1
81.07046	1.9
85.02878	2.0
86.09702	4.0
87.04449	1.8
89.06028	12.7
91.05474	2.6
93.71828	1.1
95.04984	1.8
95.14896	1.2
105.07030	1.3
109.02902	1.1
111.04471	2.1
113.00013	6.0
114.03145	1.1
114.03816	4.9
115.05061	1.0
116.07078	2.6
119.08605	1.5
121.02850	1.7
129.07039	1.1
133.08630	4.3
134.03412	1.0
136.05127	3.8
136.06161	34.6
137.06531	2.8
139.01518	18.3
145.10118	1.2
158.06395	5.0
180.07677	4.1
183.04221	5.1
183.14948	2.3
202.09138	1.4
211.14438	3.2
239.06955	8.5
287.05261	2.0
305.06198	1.6
308.20001	1.2
319.07855	49.3
319.11539	2.6
337.09076	3.5
396.18350	1.4
407.05920	2.5
407.10876	2.8
421.08606	8.4
421.22479	2.0
438.23026	2.3
439.07938	100.0
439.13953	19.2
439.23743	2.7
440.08585	7.1
440.13748	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	439.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
54.15517	0.9
57.03416	1.1
59.59720	0.7
63.39649	0.7
65.03947	1.6
67.05494	1.9
68.99770	1.3
69.03417	2.3
81.03413	3.6
81.45744	0.8
83.04978	2.9
84.04517	1.0
85.02911	4.2
91.05479	2.7
93.03352	1.0
95.04963	2.2
97.02893	2.1
99.04442	0.9
103.03973	1.0
103.37040	0.9
105.07035	1.7
108.02050	1.6
109.02850	2.5
109.07570	0.8
109.09415	0.8
111.04433	2.0
119.50410	0.9
121.06417	0.9
123.04430	2.2
125.05975	1.4
127.03947	2.0
127.08659	2.3
131.04921	1.1
141.05469	1.5
145.02797	0.8
151.03902	100.0
151.05000	8.1
152.04218	2.6
163.03928	1.6
165.05583	0.9
169.04945	6.8
187.76230	0.8
189.05492	1.2
191.06967	1.2
193.05005	2.6
211.05933	0.9
217.04942	6.0
224.71759	0.9
235.05974	1.7
253.07155	2.3
279.63867	0.8
295.08035	1.5
313.09302	1.1
325.06827	1.0
439.11069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12669	0.6
55.01868	0.8
57.03424	0.6
58.06593	0.8
65.03949	3.0
67.05492	1.7
68.99775	1.5
69.03412	0.7
70.06602	0.7
71.40739	0.8
72.08123	0.7
78.92336	0.7
81.03423	3.2
83.04973	2.2
85.02889	5.2
91.05447	0.8
93.03405	1.5
97.02873	1.5
99.04427	0.7
103.03934	0.8
105.07013	0.9
108.02081	3.0
109.02879	1.8
111.04453	2.2
113.07129	1.0
123.04417	2.7
125.06001	1.7
127.03886	1.8
131.04932	0.6
137.05969	0.8
139.03886	1.0
141.05443	2.5
147.04335	0.9
151.03905	100.0
151.04996	8.2
152.04225	3.3
163.03972	1.2
165.05486	0.9
169.04951	6.4
172.97130	2.9
189.05528	1.3
190.98090	3.8
191.06927	0.7
193.04948	2.9
217.04967	4.5
223.86836	0.8
235.06055	2.3
253.07106	3.3
277.06906	0.8
295.08157	1.9
313.09207	1.0
379.60391	0.7
421.27536	1.1
438.28723	4.6
439.12051	5.5
439.28882	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	439.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16605	0.5
51.83086	0.4
68.63438	0.5
70.06593	1.6
81.03433	0.6
82.03979	0.5
83.01105	0.6
84.08157	1.0
85.02899	0.9
86.09727	1.2
91.05451	0.6
95.01103	1.8
110.07185	1.0
111.01714	0.5
112.01367	1.3
113.02123	3.2
129.10295	0.6
141.05255	0.7
156.07822	0.6
157.04579	1.0
167.03085	0.8
185.04175	3.6
194.72748	0.5
201.03717	1.1
202.05992	2.8
243.08499	0.8
259.07980	1.0
299.39368	0.5
305.06195	0.5
336.19070	0.6
407.29456	0.5
414.98669	0.6
421.11044	0.6
439.15900	100.0
439.20947	4.4
440.16238	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	439.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30213	0.3
65.03943	0.5
67.04241	0.7
68.05028	4.1
69.03430	0.5
69.74022	0.8
81.03426	1.5
81.04538	0.5
82.06579	0.6
85.02898	0.7
93.03440	0.3
98.23351	0.4
98.77946	0.2
100.07627	0.7
108.02098	0.3
109.02907	0.4
109.07642	34.7
110.07963	0.6
110.47472	0.2
111.04512	0.2
115.82121	0.2
120.95679	0.3
125.05956	0.4
127.05035	1.0
127.08679	100.0
128.09047	1.8
151.03917	15.3
151.05026	1.6
151.36299	0.2
152.04247	0.5
165.76859	0.2
169.04881	0.4
169.09811	0.4
295.08127	0.5
313.09140	0.3
326.04828	0.3
360.23343	1.0
421.09656	0.3
439.16541	16.3
440.16809	1.0
441.00592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30213	0.3
65.03943	0.5
67.04241	0.7
68.05028	4.1
69.03430	0.5
69.74022	0.8
81.03426	1.5
81.04538	0.5
82.06579	0.6
85.02898	0.7
93.03440	0.3
98.23351	0.4
98.77946	0.2
100.07627	0.7
108.02098	0.3
109.02907	0.4
109.07642	34.7
110.07963	0.6
110.47472	0.2
111.04512	0.2
115.82121	0.2
120.95679	0.3
125.05956	0.4
127.05035	1.0
127.08679	100.0
128.09047	1.8
151.03917	15.3
151.05026	1.6
151.36299	0.2
152.04247	0.5
165.76859	0.2
169.04881	0.4
169.09811	0.4
295.08127	0.5
313.09140	0.3
326.04828	0.3
360.23343	1.0
421.09656	0.3
439.16541	16.3
440.16809	1.0
441.00592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58942	0.7
53.03953	1.1
55.05511	2.5
55.13854	0.8
57.07055	0.8
65.03942	1.1
67.05503	3.9
69.03424	6.0
69.07079	1.4
69.50562	0.7
70.55989	1.4
79.05479	6.2
81.03392	1.2
81.07052	5.2
83.04983	3.5
85.02901	3.3
85.33488	1.0
87.00838	1.4
91.05473	5.1
93.07036	3.4
95.04983	4.5
95.08610	2.7
97.02913	1.5
105.01842	1.1
105.04545	1.0
105.07029	8.1
107.04964	3.0
107.08586	16.5
109.02859	2.4
109.06506	3.2
109.10143	6.5
111.08117	0.9
115.05408	1.2
117.07008	1.9
119.08573	4.6
121.06500	2.9
121.10151	10.8
122.07264	4.9
123.08041	0.9
127.03923	3.2
131.08528	2.4
133.10123	100.0
134.10475	3.8
135.08061	6.5
135.11662	1.5
137.06015	1.4
137.09605	53.4
143.08566	1.5
145.10179	1.5
149.09615	4.9
149.13232	9.7
151.11240	1.3
156.09424	0.9
158.11047	1.2
159.93123	0.9
163.14771	1.5
173.13301	7.4
179.07039	1.0
189.12643	1.1
191.14301	35.8
206.51059	0.8
207.00076	1.0
231.05106	0.9
303.54742	0.8
335.18600	1.2
439.23727	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98125	0.3
56.55937	0.3
58.48689	0.4
64.67783	0.4
69.03419	0.5
69.57146	0.7
69.57524	0.8
104.36746	0.4
105.06969	0.4
124.03944	5.4
125.04269	2.2
146.10503	0.4
157.10129	0.4
271.30121	0.4
272.27966	0.4
319.06665	0.5
341.19281	0.6
369.19049	0.6
417.31995	0.4
439.26675	100.0
440.27042	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	439.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62141	0.6
53.94541	0.6
67.05493	1.3
69.03412	1.0
69.08856	4.3
70.29560	0.7
81.07046	0.7
89.06043	1.2
89.24202	0.5
91.05483	0.6
93.07052	1.0
105.07033	0.7
115.07575	0.6
124.03950	6.4
125.04292	1.6
125.65961	0.6
188.71562	0.6
269.13751	0.7
319.07986	1.6
439.13861	2.2
439.26697	100.0
440.27097	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	440.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
56.05012	1.7
68.99790	0.7
69.23181	0.8
69.23588	1.3
70.06572	1.2
72.08161	2.3
73.06533	1.8
78.89075	0.4
80.04991	0.7
82.06557	0.5
84.08138	2.8
85.06523	1.5
94.06540	0.6
98.22680	0.8
102.09175	3.1
103.05451	1.5
105.03371	0.4
105.11153	0.4
108.08109	0.4
110.06082	0.4
119.93073	0.4
122.05994	0.8
122.58485	0.4
124.11214	1.6
131.04922	3.4
134.05983	0.6
135.10393	0.6
136.06573	0.6
136.07573	7.1
137.06003	0.4
138.05527	0.4
140.07054	0.8
140.10716	2.1
149.06061	0.4
152.07002	0.4
158.06036	0.4
161.05963	0.5
162.05435	2.9
164.07066	0.5
165.01791	4.2
166.05003	0.4
175.03931	0.6
176.07060	0.6
177.01897	0.3
177.05458	1.0
179.03325	0.4
183.02843	2.6
184.13329	5.0
187.03885	1.1
189.01863	3.1
190.04948	1.5
202.05026	0.5
203.03397	1.5
203.05731	1.8
204.02969	1.9
204.06537	6.9
205.04964	11.5
206.04449	0.4
207.02858	1.5
208.06013	0.5
214.04990	1.2
215.03366	2.0
216.06458	0.5
217.04846	1.2
218.04442	0.5
222.07643	1.3
223.06024	0.7
230.04482	1.6
230.49249	0.4
231.05247	3.2
232.06029	50.2
233.04361	1.3
233.06532	2.5
234.11194	0.7
248.05635	1.7
249.06190	0.6
250.07050	4.6
266.11765	0.4
268.00949	0.9
269.08124	1.2
276.12137	0.6
286.10739	1.4
293.07999	2.4
294.11188	1.2
295.05969	0.4
304.11768	6.7
308.09250	0.4
308.12823	0.4
309.11325	0.7
314.01563	0.4
318.11200	0.5
319.09473	0.4
322.12717	0.7
334.10806	1.1
335.11469	4.8
336.12253	13.0
337.12912	1.5
352.11877	1.1
354.06271	0.4
364.15381	0.6
390.16925	1.7
408.18018	100.0
409.18353	7.8
440.11102	1.1
440.20667	6.1
440.37567	0.7
456.86334	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01889	0.6
55.05514	2.4
56.05025	1.9
67.05505	0.5
68.99790	0.7
69.94607	1.3
70.06560	1.0
72.08167	2.2
73.06541	1.5
76.19353	0.4
80.04992	1.1
84.08150	2.3
85.06473	0.6
89.65501	0.4
91.05437	0.7
92.01321	0.4
92.99738	0.8
94.06541	0.5
95.04935	0.6
98.71499	0.4
102.09191	3.7
103.05466	2.7
108.08097	0.7
110.05978	0.5
120.08056	0.4
122.06011	0.6
124.11260	0.7
131.04921	6.4
134.06004	0.5
136.07555	7.1
138.05482	0.8
140.07053	0.5
140.10686	0.9
148.00272	1.2
148.07643	0.4
149.06020	0.4
153.01744	0.6
162.05498	2.9
164.07114	0.6
165.01826	4.6
175.03893	0.7
175.06291	0.5
176.07036	1.1
177.05519	0.6
182.52644	0.4
183.02881	1.7
184.13303	1.7
187.03883	1.5
189.01808	2.0
190.04980	1.6
203.03340	1.6
203.05736	2.3
204.02931	1.6
204.06549	6.7
205.04962	11.7
205.06850	0.4
207.02863	1.2
208.06088	0.6
214.05032	1.2
215.03418	1.9
217.04929	0.9
222.07623	1.0
223.05916	0.6
230.04491	1.8
231.05223	3.8
232.06033	56.4
233.02412	0.4
233.04431	1.5
233.06499	2.6
234.11337	0.7
248.05557	2.6
249.06183	0.7
249.99855	1.3
250.07083	4.2
258.68292	0.4
260.08969	0.7
267.10162	0.5
268.00864	6.1
269.07950	0.7
276.12302	0.9
286.10736	1.4
292.09818	0.5
293.07950	2.1
294.11136	1.2
304.11713	6.0
307.09668	1.1
308.09195	0.8
309.11041	1.0
318.11169	0.5
322.12848	0.7
334.10788	1.7
335.11499	5.4
336.04971	1.5
336.12244	15.7
337.12823	1.6
352.11768	1.7
354.06012	1.8
364.15356	0.5
367.92746	0.4
390.16968	1.8
408.18027	100.0
409.18362	7.2
440.11478	5.4
440.20575	6.5
441.11520	0.5
457.93460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2429
Annotation	Salicylihalamide A
Peak:m/z	Relative Intensity
50.29454	0.1
53.03947	0.2
54.72948	0.1
55.05498	0.2
63.30466	0.1
67.05498	0.5
68.05024	0.1
69.03422	0.1
69.07056	0.3
69.89104	0.2
69.89470	0.2
78.03443	0.8
79.04214	0.1
79.05490	0.3
80.04540	0.2
80.05010	3.5
81.07051	0.7
83.08602	0.2
91.05472	0.4
93.07032	0.6
95.08592	0.9
96.04485	2.4
105.07021	0.8
106.02905	0.3
107.08578	0.6
109.10140	0.8
111.04441	0.2
114.81406	0.1
117.06938	0.1
119.08588	1.0
121.06491	0.2
121.10134	0.3
124.03940	100.0
125.03419	0.1
125.04277	1.9
131.08543	0.3
133.10123	1.0
135.11693	0.3
139.07516	0.3
139.48628	0.1
140.03441	0.2
143.08571	0.4
145.10135	0.5
147.11684	0.3
155.08502	0.1
156.09270	0.1
157.10127	0.3
159.11716	0.5
161.13222	0.3
163.07349	0.1
169.10202	0.2
171.11673	0.3
173.09592	0.1
173.13226	0.4
175.14861	0.1
179.10643	0.1
183.11700	0.3
185.09566	0.1
185.13306	0.3
186.15919	0.1
187.11176	0.3
187.14862	0.2
189.16389	0.4
197.13278	0.3
199.11240	0.2
199.14819	0.1
201.12677	0.2
201.16370	0.2
205.12254	0.4
207.17509	0.1
211.14795	0.2
213.12711	0.3
217.12181	0.2
219.13922	0.2
229.12233	0.2
231.13779	0.3
239.17967	0.2
243.13835	0.3
243.20918	0.1
253.15910	0.1
253.19446	0.2
269.18982	0.2
271.20547	0.1
281.18979	0.3
287.20142	0.4
299.20026	1.2
317.20987	0.2
440.24280	8.6
441.24707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05496	1.4
57.07047	0.6
58.06608	0.5
67.05492	2.2
69.07039	1.4
71.04980	0.8
71.08601	0.5
78.03445	1.4
79.05482	1.2
80.05006	3.5
80.59251	0.4
81.07048	3.2
83.08598	0.9
85.06535	0.8
85.10161	0.5
89.05994	2.0
91.05457	1.9
93.07039	4.2
95.04939	0.9
95.08595	7.6
96.04500	2.5
96.08913	0.5
97.02878	0.7
97.06513	1.0
99.08035	0.7
104.23102	0.3
105.07024	4.1
106.02915	3.2
107.08579	4.8
109.06506	0.7
109.10126	2.8
111.04421	0.5
111.08101	0.5
117.06998	0.6
119.08568	6.2
121.06552	0.5
121.10133	4.4
123.08035	1.3
123.11697	1.1
124.03939	100.0
125.04265	1.7
125.05061	0.4
129.06946	0.5
131.08562	2.4
133.08569	0.7
133.10124	4.0
135.08064	0.9
135.10771	0.4
135.11646	2.1
137.09608	0.6
142.07806	0.4
143.08528	1.7
143.11577	0.4
145.10107	3.8
147.11671	3.5
149.09587	2.8
149.13309	0.4
155.08565	0.7
156.09331	0.6
157.10118	2.6
159.11673	4.5
160.62085	0.3
161.09610	1.2
161.13205	3.3
163.11137	0.8
163.14822	3.0
165.09119	0.4
169.10097	1.6
171.11632	1.8
173.09590	0.5
173.13239	3.1
175.11252	0.6
175.14842	1.4
177.09103	0.5
177.12752	0.6
181.10097	0.5
183.11688	1.7
185.13240	1.1
187.11243	0.7
187.14745	1.3
189.16309	0.5
191.10562	0.6
197.13239	1.3
199.14792	1.0
201.12790	0.6
201.16328	0.4
205.12215	1.1
205.15810	3.4
208.69756	0.4
211.14626	0.9
213.16319	2.2
215.17909	1.1
217.12222	0.5
219.13901	0.4
227.17995	0.6
229.12154	0.8
229.19495	1.1
237.16440	0.6
239.17938	1.7
243.21126	0.5
250.31877	0.4
255.17581	0.5
257.19012	3.5
271.20560	0.8
273.18509	1.0
275.20120	0.7
281.19031	1.3
299.19955	3.7
317.21094	2.9
387.79947	0.5
435.60461	0.5
440.24274	79.9
441.24646	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	440.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
53.41526	0.1
55.05502	0.4
67.05495	0.6
69.01078	0.2
69.07059	0.4
70.50567	0.2
70.50890	0.2
78.03450	0.5
79.04236	0.2
79.05487	0.3
80.05011	3.1
81.07065	1.0
81.96280	0.1
83.04979	0.2
83.08620	0.1
85.02903	0.1
91.05476	0.7
93.07030	0.8
95.04980	0.2
95.08604	1.8
96.04490	2.6
97.06522	0.2
98.72179	0.1
105.07008	1.6
106.02915	0.7
107.08600	0.9
109.06494	0.2
109.10143	1.1
111.04455	0.2
117.06991	0.4
119.08580	1.2
121.10135	0.4
123.11680	0.3
124.03944	100.0
125.04292	2.0
125.06008	0.2
131.08585	0.3
133.10107	2.3
135.08075	0.2
135.11687	0.4
137.09679	0.2
139.07600	0.2
142.07799	0.1
143.08549	0.3
145.10143	0.5
147.11716	0.8
149.13232	0.2
157.10107	0.3
159.11719	0.7
161.09544	0.1
161.13229	0.3
163.11246	0.2
167.10643	0.2
171.11588	0.4
173.13220	0.5
175.07413	0.1
175.11230	0.2
175.14780	0.2
183.11647	0.4
187.11122	0.3
187.14873	0.2
191.10724	0.2
197.13245	0.4
199.14732	0.2
201.16432	0.3
205.12248	0.2
211.14786	0.2
229.12227	0.3
231.13728	0.2
239.14516	0.3
243.13756	0.3
253.19427	0.3
255.17313	0.2
257.15491	0.2
270.78711	0.2
273.18591	0.2
281.18982	0.3
299.20084	1.2
317.21271	0.2
440.24268	13.5
441.24533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.1
52.01907	0.1
53.03939	0.2
61.75910	0.1
68.93598	0.1
78.03447	0.6
79.04219	0.2
80.05013	3.1
81.05375	0.1
81.07045	0.1
96.04491	2.1
98.22622	0.2
102.82269	0.1
103.41438	0.1
105.07041	0.1
119.08559	0.1
123.11710	0.1
124.03942	100.0
125.04288	2.0
133.10127	0.4
140.03525	0.1
175.05605	0.1
175.63786	0.1
188.11629	0.1
293.55386	0.1
299.20050	0.3
309.18137	0.1
317.21051	0.1
440.24277	2.4
441.24655	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	440.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
51.23107	0.1
53.03944	0.3
54.80458	0.1
55.01875	0.1
55.05510	1.6
57.03412	0.1
57.07067	0.4
58.17095	0.1
59.10601	0.1
65.03941	0.2
67.05503	2.9
69.03426	17.7
69.07056	1.0
70.03759	0.3
70.55555	0.2
71.05001	0.4
74.98912	0.1
78.03449	1.6
79.04241	0.2
79.05487	1.6
80.05017	3.1
81.03432	0.1
81.07053	2.0
83.04977	2.8
83.08633	0.3
85.06548	0.4
91.05477	2.0
91.06036	0.1
93.07043	1.9
95.04969	0.7
95.08601	2.3
96.04491	2.3
96.99881	0.1
97.06528	1.6
99.04488	0.2
105.07024	2.2
106.02911	2.5
107.08591	2.2
107.09267	0.2
109.06532	0.4
109.10163	0.7
111.08085	0.4
113.06001	15.8
114.06329	0.3
115.05455	0.2
115.07571	1.0
116.07577	0.1
117.07019	0.9
119.08571	2.7
121.06538	0.4
121.10145	1.2
123.08083	0.3
123.11756	0.1
124.03945	100.0
125.04288	1.9
127.07536	0.2
128.06267	0.3
129.07030	0.6
130.07838	0.2
131.08559	2.4
131.09456	0.2
133.06462	0.2
133.10130	2.4
135.08080	0.3
135.11763	0.3
137.09644	0.4
140.03407	0.2
141.07004	0.4
141.09056	0.2
142.07817	0.6
143.08566	1.8
144.09351	0.3
145.10114	3.1
147.08041	0.2
147.11685	1.2
149.09615	0.3
149.13245	0.2
151.11133	0.2
153.06992	0.2
153.09108	0.1
154.07770	0.3
155.08536	1.2
155.10556	0.1
156.09386	0.9
157.10120	2.8
158.10870	0.3
159.07947	0.2
159.11679	3.0
161.09633	0.3
161.13251	0.4
163.11197	0.3
165.06964	0.2
165.12833	0.1
166.07889	0.2
167.08548	0.6
167.10689	0.2
168.09331	0.5
169.10114	2.2
170.10890	0.9
171.08165	0.1
171.11661	2.6
172.12460	0.2
173.09645	0.3
173.13242	1.6
175.11195	0.4
175.14862	0.4
177.12798	0.2
178.07823	0.2
179.08592	0.5
180.09238	0.2
181.10094	1.4
182.10889	0.6
183.11685	2.5
184.12448	0.2
185.09668	0.3
185.13261	2.6
186.10370	0.2
186.13658	0.2
187.11200	0.6
187.14790	1.2
189.12778	0.3
191.10687	0.2
192.09332	0.2
193.10144	0.5
193.12251	0.4
194.10930	0.3
195.11685	1.2
196.12418	1.0
197.13246	1.8
197.14940	0.2
198.13919	0.4
199.11205	0.5
199.14787	1.2
201.12735	1.0
201.16379	1.1
203.14319	1.5
205.10112	0.2
205.12213	0.2
205.15903	0.4
206.10878	0.2
207.11687	0.8
207.13599	0.2
208.12352	0.2
209.13208	0.9
210.14095	0.3
211.11235	0.3
211.14803	3.6
212.15216	0.2
213.12984	0.6
213.16362	3.3
215.14314	0.3
217.12202	0.8
217.15840	0.1
219.11673	0.3
220.12453	0.4
221.13321	0.7
222.13971	0.4
223.14810	0.5
225.12726	0.3
225.16418	0.8
227.14339	0.5
227.17963	0.5
229.13892	0.2
229.15900	2.5
230.16174	0.1
231.13905	0.2
233.13286	0.4
234.13985	0.2
235.14833	0.6
237.16396	1.2
239.14272	0.7
239.17963	0.1
241.15839	0.2
243.13831	0.2
248.15540	0.4
251.18033	0.3
253.15887	0.5
253.19518	1.5
253.21886	0.2
254.19972	0.2
255.17416	0.9
257.15524	0.2
263.17957	1.1
264.18155	0.1
269.19052	0.5
271.20529	1.5
281.18988	3.5
282.19379	0.4
287.20044	0.2
299.20029	5.0
300.20425	0.3
317.21066	1.0
326.17380	0.7
328.19049	2.5
329.19427	0.2
352.18994	0.2
422.23209	1.3
423.23959	0.1
440.24283	9.6
441.24689	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01881	0.1
53.03941	0.2
57.07085	0.1
59.24582	0.1
68.05016	0.1
69.75149	0.1
69.75497	0.3
72.83597	0.1
78.03436	0.6
79.04213	0.2
80.05013	3.0
81.05383	0.1
83.05019	0.1
84.26335	0.1
95.08559	0.1
96.04488	2.2
107.08647	0.1
124.03943	100.0
125.04279	2.1
140.03429	0.1
159.11664	0.1
317.21112	0.6
422.39395	0.1
440.24286	6.3
441.24652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
62.52757	0.2
69.81399	0.2
69.81716	0.4
72.82059	0.2
78.03452	0.9
80.05014	2.8
81.07061	0.3
95.08617	0.2
96.04482	1.8
102.34670	0.2
106.02905	1.0
111.04397	0.3
119.08572	0.3
121.10221	0.2
124.03941	100.0
125.04269	1.6
132.28711	0.2
133.10132	0.5
133.64200	0.2
147.09218	0.2
147.11697	0.2
159.11674	0.2
173.02296	0.2
187.14850	0.2
201.16357	0.3
243.13707	0.2
253.19595	0.2
270.15457	0.2
299.19986	1.3
413.12872	0.2
422.22974	0.5
440.23709	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	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01872	7.5
55.05510	10.5
55.69602	2.8
57.03439	16.6
61.02925	11.9
65.65278	2.7
67.05521	4.4
69.03432	34.5
69.07065	57.8
69.45168	7.6
73.02913	74.1
77.01180	3.0
81.03421	9.9
81.07043	6.0
85.02902	100.0
87.04482	3.1
91.03963	2.9
97.02887	60.7
103.03954	4.0
109.02874	10.3
111.11730	26.5
115.03941	28.9
121.31354	2.9
123.11715	3.3
127.03904	32.0
133.04947	37.2
145.04967	36.8
146.99898	2.9
150.07597	4.0
161.70914	2.9
163.06059	18.5
179.77603	2.8
182.23698	2.4
205.34459	2.7
207.13789	3.5
223.06064	5.3
241.07077	8.1
243.15918	3.8
259.08090	7.7
271.59326	3.4
297.11591	3.1
320.08295	5.0
440.13736	6.9
441.24536	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	440.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.0
55.05505	17.6
57.03432	38.6
57.07062	1.9
61.02919	15.9
67.05486	4.9
69.03424	59.8
69.03801	2.9
69.07062	95.5
69.55117	4.4
71.01336	4.3
71.05000	3.5
73.02910	73.5
80.69040	1.9
81.03406	10.1
81.07051	4.1
85.02892	100.0
87.04456	11.9
93.07035	2.9
95.04955	2.5
97.02879	70.7
99.04409	4.1
103.03913	2.5
105.07008	2.1
107.08658	2.4
109.02859	7.5
111.04450	2.1
111.11704	46.9
115.03921	48.8
118.46205	1.9
126.09135	4.6
127.03896	27.7
133.04945	28.6
145.04939	34.8
150.07597	5.7
154.60347	1.8
161.13289	2.5
163.06004	27.2
164.65295	1.8
180.20938	1.9
195.13864	1.8
207.13863	2.1
223.05971	5.2
233.31877	2.0
237.14516	2.1
241.06999	6.3
259.08054	3.6
295.10269	2.4
310.62885	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	440.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.3
57.06814	2.1
57.07074	27.0
61.87227	1.2
69.07053	2.6
69.47990	5.3
69.48335	2.3
71.08627	29.8
73.06548	5.4
73.40498	1.4
74.09708	1.5
79.05473	1.4
83.08604	3.7
85.10182	22.8
87.04468	3.4
89.06023	100.0
95.08556	1.8
98.23472	2.6
99.11738	3.6
107.07050	2.5
117.09078	1.5
124.03951	11.6
133.08592	43.5
133.10103	1.9
141.16371	3.1
177.11186	15.4
185.18976	5.2
193.17567	1.3
195.12216	2.8
221.13829	2.7
229.21570	8.7
239.15047	2.2
273.24338	2.5
283.17517	14.6
423.33139	13.9
440.24301	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	440.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.9
60.83765	15.6
62.28176	18.2
67.05486	29.5
69.07065	67.5
71.08626	40.4
72.04515	100.0
78.38432	20.2
79.05489	27.7
81.07069	24.4
86.01735	19.5
93.07030	20.9
95.08618	15.4
97.10148	32.2
99.08091	39.4
107.08562	17.7
123.11742	20.1
123.67102	21.2
124.03918	31.6
125.09643	32.5
147.11734	17.5
151.11136	31.7
169.55939	19.1
189.11183	39.7
224.66154	18.2
277.21655	81.4
290.21112	30.3
422.42575	19.7
429.54584	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	441.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63513	0.7
70.02255	1.4
70.02583	1.7
70.06583	2.8
89.03680	0.8
107.67641	0.7
110.07131	1.2
126.99918	0.9
177.01564	2.7
192.03918	20.0
193.04697	8.0
227.05280	3.0
271.04288	3.4
279.02658	1.3
295.20776	0.7
355.09955	5.6
397.11038	37.7
398.11237	1.9
441.09985	100.0
442.10440	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	441.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23955	0.8
56.05929	0.7
58.11880	0.7
64.03284	0.7
69.81516	1.1
69.81870	1.8
98.22731	1.0
108.01295	0.6
116.97534	0.7
127.00029	1.5
140.34956	0.7
177.01613	2.5
192.03926	19.3
193.04710	8.8
227.05307	2.0
271.04221	4.4
298.31454	0.8
352.95102	0.8
355.10077	4.7
397.11050	35.3
398.11298	1.8
410.08527	0.8
441.10019	100.0
442.10284	6.2
455.30719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1368
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
54.11936	0.3
65.33074	0.4
70.06591	4.3
70.31644	0.8
84.08123	0.6
86.09698	0.8
95.54517	0.3
98.06070	0.4
110.07114	0.4
116.07050	0.6
123.59804	0.4
151.91887	0.3
154.05124	0.4
170.55234	0.4
184.07355	1.1
213.12296	0.8
213.57431	0.4
291.43106	0.4
441.13629	100.0
442.13992	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1531
Annotation	Pharacine
Peak:m/z	Relative Intensity
51.82181	6.5
55.11427	6.2
56.96558	20.2
60.87899	6.6
67.05488	8.6
76.23594	6.1
79.05471	11.9
79.63737	5.6
81.07058	21.6
83.11785	5.9
84.04501	13.3
84.96027	8.7
93.07050	8.0
95.08607	8.0
98.97585	100.0
110.97590	10.5
112.99174	14.1
116.98631	40.7
128.98579	15.7
131.00183	28.4
134.99660	11.8
142.94099	7.2
149.01274	10.4
158.99646	39.8
173.01251	21.8
177.00761	25.8
181.10880	5.9
191.02313	8.7
198.73686	6.2
201.00826	7.6
202.98636	10.1
219.01793	18.5
219.50603	6.7
237.02863	22.2
244.99605	8.6
355.14218	54.4
373.15445	48.1
397.15527	31.4
409.11795	9.2
441.15051	54.5
441.25491	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	441.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63472	2.0
53.03946	3.0
55.01874	4.6
55.05508	5.8
57.03438	14.6
69.03432	18.1
69.80484	6.5
70.06599	3.7
71.04989	42.3
73.02929	11.9
73.03259	1.9
75.04465	6.4
81.03409	14.5
83.04974	38.3
85.02901	100.0
85.94573	2.2
87.04472	3.5
91.05479	2.4
95.04987	3.0
97.02889	24.6
99.04457	3.7
103.03919	2.3
103.05463	2.8
104.93754	2.1
105.07037	6.1
111.04430	18.3
115.03928	12.0
127.03914	6.1
129.05467	26.2
131.04889	2.5
133.04965	8.5
133.06471	5.2
145.04955	5.7
147.06500	10.7
151.07513	16.8
161.05988	9.2
179.06956	13.5
193.08597	5.8
195.06601	2.4
199.07478	2.4
205.08557	3.5
225.07571	10.0
231.10190	2.9
243.08769	3.4
247.09734	6.9
252.20631	2.4
293.82297	2.3
295.11755	3.5
441.17999	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.5
59.04981	2.1
69.03434	1.2
69.07060	2.5
70.06586	4.4
73.02898	2.2
81.03415	1.6
83.05010	2.6
85.02907	1.7
85.06538	5.7
86.09705	3.7
87.04446	1.6
89.06019	2.4
91.05480	1.9
93.07043	4.8
95.08595	1.9
99.03208	1.8
111.11781	1.5
113.00016	5.6
114.03815	6.6
117.09141	1.3
121.02862	2.1
121.04568	3.6
123.04359	1.6
127.00049	1.2
127.01588	13.3
129.60286	1.3
131.90137	1.4
135.11688	2.1
136.05125	2.6
139.01550	24.6
153.03127	10.0
158.06451	1.7
162.05568	1.4
163.03874	1.8
183.04190	4.5
193.12071	4.0
197.05769	2.5
203.05328	2.9
209.89709	1.3
227.05267	3.1
245.06400	5.4
261.12512	2.4
289.05298	23.5
305.06143	2.5
313.12576	4.8
333.98376	1.4
337.16528	1.6
343.17227	1.9
348.08752	1.5
355.17181	7.1
357.11630	10.0
379.17151	7.0
397.18365	45.8
398.18759	3.2
423.16254	42.7
424.16434	2.4
441.17291	100.0
442.17371	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	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.5
59.04981	2.1
69.03434	1.2
69.07060	2.5
70.06586	4.4
73.02898	2.2
81.03415	1.6
83.05010	2.6
85.02907	1.7
85.06538	5.7
86.09705	3.7
87.04446	1.6
89.06019	2.4
91.05480	1.9
93.07043	4.8
95.08595	1.9
99.03208	1.8
111.11781	1.5
113.00016	5.6
114.03815	6.6
117.09141	1.3
121.02862	2.1
121.04568	3.6
123.04359	1.6
127.00049	1.2
127.01588	13.3
129.60286	1.3
131.90137	1.4
135.11688	2.1
136.05125	2.6
139.01550	24.6
153.03127	10.0
158.06451	1.7
162.05568	1.4
163.03874	1.8
183.04190	4.5
193.12071	4.0
197.05769	2.5
203.05328	2.9
209.89709	1.3
227.05267	3.1
245.06400	5.4
261.12512	2.4
289.05298	23.5
305.06143	2.5
313.12576	4.8
333.98376	1.4
337.16528	1.6
343.17227	1.9
348.08752	1.5
355.17181	7.1
357.11630	10.0
379.17151	7.0
397.18365	45.8
398.18759	3.2
423.16254	42.7
424.16434	2.4
441.17291	100.0
442.17371	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	441.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.05512	17.0
57.03441	12.5
69.03431	12.0
69.22404	4.5
69.22815	8.6
70.06580	5.3
71.01353	2.7
71.04993	51.5
72.84287	1.9
73.02920	3.9
75.04467	4.7
81.02957	3.1
81.03413	37.4
81.07039	2.1
83.04978	100.0
85.02901	76.1
87.04461	3.2
89.21884	1.7
91.05477	6.6
93.07043	3.9
95.04960	8.8
95.50098	2.0
97.02908	13.0
99.04447	3.9
100.07600	9.7
103.05463	2.2
109.02829	2.9
111.04440	40.6
115.05405	2.5
119.04926	5.5
121.06470	6.0
127.03911	9.2
129.05486	18.3
131.04932	6.9
133.06499	2.5
135.08057	2.7
136.05183	2.2
137.05949	8.1
145.06445	4.7
147.04390	3.9
149.05978	5.4
151.03873	2.5
151.07536	47.5
152.07892	2.1
157.06537	5.8
159.08084	2.2
160.05249	2.6
161.05998	6.2
163.07544	11.0
165.09109	3.2
169.06529	4.2
171.08032	2.4
171.15041	3.0
173.05969	2.6
175.07538	6.1
177.05461	4.2
179.07025	36.1
181.08727	4.6
187.07512	3.8
189.05434	2.7
189.09119	8.2
190.06166	2.2
191.06979	2.4
193.08510	2.9
203.07043	4.7
203.10693	2.6
205.08591	9.9
207.06496	2.4
217.08571	4.2
219.10159	3.4
221.08084	5.9
229.08600	2.6
231.10098	6.0
233.11664	3.3
235.09718	2.7
241.08795	2.4
243.10196	4.8
245.07971	2.4
247.09621	19.1
255.08597	3.6
259.09647	13.4
261.11276	13.8
277.10739	9.4
279.12161	2.8
293.10147	2.5
295.11743	17.1
441.12280	3.6
441.18048	19.3
442.29114	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	441.2246
Annotation	Val Trp His
Peak:m/z	Relative Intensity
55.05504	1.5
57.07070	0.8
60.21219	0.4
63.53776	0.3
67.05496	2.0
69.07054	2.2
70.18012	0.9
71.08633	1.0
76.12681	0.3
79.05487	0.9
80.09859	0.4
81.07045	2.5
83.08629	0.7
91.05500	0.9
93.07059	1.7
95.08591	3.5
97.06539	0.4
99.08092	0.7
105.07037	1.5
107.08580	2.1
109.06506	1.4
109.10159	1.4
117.07079	0.4
119.08579	2.7
121.10133	1.2
123.08056	3.6
123.11691	0.7
124.03927	0.8
131.08505	0.5
133.10112	3.1
135.08096	0.8
135.11729	0.5
145.10136	1.2
147.11707	1.9
151.11081	0.4
157.10109	0.5
159.11710	1.5
161.13290	0.5
171.11624	0.4
173.13254	1.0
179.14279	4.7
183.11687	0.4
187.11298	0.4
197.13170	0.4
199.14818	0.4
201.16289	0.8
243.13858	0.4
251.20018	0.8
275.19934	0.4
293.21054	0.7
299.20053	1.4
303.26816	1.0
317.21042	0.5
321.18195	3.3
331.26190	4.2
349.27365	4.1
381.20282	5.7
423.31030	8.2
441.22421	100.0
442.22760	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	441.225
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	5.4
69.03405	6.4
69.07070	5.8
70.50606	13.2
81.07027	8.1
81.30867	5.3
83.06101	6.6
84.04506	9.1
85.02917	8.0
97.02873	7.2
101.48160	5.0
103.18074	5.1
105.07034	5.4
121.02847	7.1
124.03952	8.9
127.01555	8.2
129.06639	9.2
130.04987	5.6
131.04962	4.9
145.06462	6.4
151.07497	8.4
165.99792	5.8
168.09123	5.8
169.01408	6.5
202.98598	8.1
204.94899	4.8
253.51025	5.0
253.58278	5.3
269.58960	4.9
296.77393	5.7
367.18011	7.8
438.08942	5.0
441.22324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2247
Annotation	Val Trp His
Peak:m/z	Relative Intensity
50.42125	2.7
71.43446	2.9
83.06103	4.3
84.57362	2.7
97.64268	3.0
104.69059	2.5
122.23022	3.2
127.01550	4.1
127.44906	3.0
129.06638	8.3
136.71303	2.9
157.69151	3.3
209.72766	2.9
312.26578	3.2
441.22510	100.0
441.28589	4.7
442.22546	4.0
459.94031	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	441.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	12.4
66.90449	7.5
69.03429	8.0
69.07069	100.0
73.02905	9.4
85.02916	42.1
86.09688	13.1
97.02895	20.0
111.11736	40.4
116.07108	11.7
121.02874	13.9
127.03902	15.1
128.65546	7.1
129.12791	44.8
147.04376	11.9
147.13791	8.7
150.09148	20.6
167.46390	10.4
169.13712	8.1
175.94736	8.3
181.04953	10.1
189.67708	7.6
203.74675	8.7
240.76822	10.6
314.10510	8.0
423.10498	14.7
441.11819	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16940	0.3
67.05472	0.5
86.06054	0.7
87.04442	0.5
91.05450	0.4
107.04922	0.4
117.76635	0.3
121.02880	0.5
121.06489	0.3
124.03941	0.7
146.44833	0.3
147.04395	0.7
210.11107	0.4
269.13620	1.3
285.17783	0.3
311.47867	0.3
322.12753	2.6
375.80109	0.3
382.73346	0.3
411.27689	0.4
416.11664	0.3
435.86978	0.3
441.28201	100.0
442.28598	7.2
446.07462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10406	0.5
69.33490	2.0
98.22748	0.7
192.68475	0.6
203.73631	0.5
214.68701	0.5
441.28235	100.0
442.28625	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62987	0.2
67.05490	0.3
72.62796	0.2
80.89208	0.2
83.33131	0.2
98.23506	0.5
110.84064	0.2
117.19843	0.2
124.03962	0.5
227.09064	0.3
341.19415	0.5
349.10547	1.8
367.24335	0.6
374.24442	0.2
377.09863	1.2
409.12622	1.4
411.27222	0.3
441.28214	100.0
442.28519	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	441.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
57.07070	31.8
59.60353	1.2
67.05475	1.2
69.07053	2.7
71.08624	61.1
71.43852	1.1
77.03904	3.0
85.09691	2.3
85.10174	30.2
87.04454	4.9
89.06023	100.0
90.06352	2.2
91.05474	17.2
91.06002	2.2
93.07035	26.8
95.04967	8.8
95.08569	1.6
98.98447	3.9
103.05468	7.0
105.04507	4.0
105.07050	5.5
107.04935	3.6
107.07079	2.3
107.08611	3.4
107.66914	1.4
117.07030	1.8
118.07769	1.7
119.04920	4.6
119.08558	5.7
121.06496	88.5
121.10085	1.5
122.06852	2.6
123.08059	1.2
127.14877	1.6
133.08591	55.4
135.08026	6.0
135.11682	1.4
147.08008	11.6
149.09607	5.6
150.06747	2.7
163.11160	4.5
165.09100	40.5
166.09573	1.5
177.11208	8.8
177.12631	1.6
190.20335	1.3
209.11729	18.0
227.12759	4.7
247.20535	14.1
271.15350	3.8
291.23178	17.7
315.18027	26.4
361.68921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.5
57.03429	4.4
57.07071	6.7
67.05495	14.6
69.07066	18.4
71.08630	8.6
71.43191	2.1
79.05505	9.8
81.07055	20.2
83.04989	4.2
83.08616	10.1
85.06553	3.2
86.00247	2.1
91.05457	8.1
93.07051	13.8
95.08598	25.8
97.06522	4.4
99.08077	10.6
105.07023	7.9
107.08592	12.6
109.06492	12.1
109.10107	10.9
111.08055	3.3
117.07025	2.8
119.08611	12.0
121.06513	2.6
121.10120	10.3
123.08067	34.5
123.11701	4.4
124.03936	12.9
131.08525	3.3
133.10130	11.2
135.08034	7.0
135.11707	5.0
137.09644	3.6
137.13229	4.1
139.07501	2.6
145.10121	4.6
147.11665	6.4
149.09596	5.0
149.13223	2.6
151.11177	3.6
153.12657	4.3
159.11685	3.2
161.13326	2.4
165.14912	2.1
169.37576	2.1
173.13234	3.1
175.61113	2.0
179.14287	48.0
191.14377	4.5
192.00685	2.2
193.15747	2.2
251.20047	9.8
275.20166	3.8
293.21091	8.6
293.28183	3.0
303.26794	15.0
321.27948	3.9
331.26291	48.1
332.26627	2.3
349.27274	64.0
349.31488	3.4
403.20770	2.3
405.29858	3.5
423.31030	100.0
424.31488	7.4
441.22345	49.2
442.22809	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	442.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01899	1.0
53.00287	1.6
55.26428	0.7
58.00613	0.7
68.99790	2.2
69.07248	3.8
69.07664	1.4
79.45860	0.6
86.23034	0.7
92.01347	3.0
92.99754	1.0
98.23564	1.4
103.05470	10.5
104.01360	2.0
121.62236	0.6
127.84985	0.7
131.03964	1.3
131.04921	24.9
132.00722	1.2
148.00291	1.9
150.01921	0.8
154.01320	1.3
160.00273	2.4
164.03389	2.3
166.01445	1.1
168.02911	0.7
172.00255	5.2
172.03857	0.9
176.03383	0.7
178.01340	9.9
190.01346	2.6
192.02892	1.8
199.99792	5.7
200.01700	1.4
208.02249	1.0
214.03491	2.5
216.02945	4.5
217.00153	0.9
218.00853	20.4
222.00266	1.2
227.99248	3.0
240.01294	1.3
246.00316	0.9
249.99817	3.0
255.98735	5.8
268.00873	13.2
273.99805	30.6
275.00061	1.0
282.07596	6.5
288.01364	22.5
289.01666	1.6
292.00858	100.0
293.01212	4.7
304.05914	0.9
306.02414	75.5
307.02792	2.4
320.03857	6.4
324.03387	0.7
332.05338	0.7
338.01489	0.9
338.04910	4.5
339.04620	1.4
354.06165	2.7
378.05914	1.6
382.09113	1.0
392.07620	97.9
393.07819	6.8
410.08859	4.8
424.10245	29.7
425.10614	3.1
443.11017	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	442.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24426	0.5
53.02166	0.5
53.03945	0.8
55.46581	0.4
57.18313	0.5
58.76388	0.5
59.68365	0.5
62.38583	0.5
68.81785	0.5
89.91158	0.5
91.05513	0.6
95.04949	3.4
101.27804	0.5
103.05459	51.7
104.05777	1.2
105.04489	0.6
128.06241	0.8
128.76889	0.6
131.04915	100.0
132.05258	3.2
140.67329	0.6
153.06931	0.8
164.03398	0.9
168.02904	1.5
178.01375	0.6
192.02899	24.8
193.03253	0.7
208.06018	3.9
210.03999	1.2
238.73076	0.5
278.04587	0.6
280.58743	0.6
282.07565	2.3
296.09140	49.4
297.09421	2.9
312.12256	16.3
313.12509	0.8
362.11270	0.6
383.54517	0.6
442.16501	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	442.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64992	0.5
64.13754	0.6
67.05525	0.7
68.99773	1.6
69.72818	1.6
69.73204	1.4
70.06579	0.8
71.14456	0.6
79.44572	0.8
80.36317	0.6
91.05470	6.8
93.60880	0.6
94.02913	0.7
95.01324	0.6
95.04942	0.9
98.22751	1.2
103.05463	19.9
104.05789	0.8
105.04412	0.6
105.06967	1.2
107.04901	0.8
115.04639	1.4
115.05451	27.1
116.05729	0.7
117.06979	2.1
122.02368	2.4
127.05358	0.9
128.06221	25.0
129.07005	32.2
130.07295	0.9
131.04924	57.3
131.08516	1.0
132.05252	1.2
132.10226	0.9
136.03914	1.4
138.01852	1.3
140.03395	1.5
141.07014	0.7
142.06522	13.5
143.07332	0.8
143.08548	2.5
145.06462	2.8
147.08009	0.9
150.01894	1.3
152.06174	1.2
153.06992	2.6
154.06505	1.0
155.04883	1.1
155.06020	3.8
155.08530	1.0
156.08070	2.1
157.01312	0.6
158.09656	5.7
164.03419	4.7
166.04852	0.7
167.02147	2.8
167.07297	0.7
168.02933	9.8
168.04297	0.6
168.08069	1.5
170.06004	9.9
171.08055	1.2
178.01363	1.0
180.08150	0.6
181.06488	0.7
182.06023	1.3
182.09676	1.3
184.07552	1.5
185.03200	1.7
186.09114	1.2
190.04973	0.7
191.02103	1.5
192.02905	84.4
193.03261	3.0
196.07510	2.5
199.03992	3.4
200.10710	1.0
206.04491	0.9
210.03949	5.5
210.05481	1.3
210.09125	3.1
212.07060	1.0
213.05362	1.0
218.04489	0.8
224.07030	4.3
228.10152	0.8
234.00394	1.2
234.03952	25.5
238.04994	8.9
241.04936	5.1
251.05673	0.7
252.06909	3.3
254.08090	4.4
256.06039	1.3
259.05960	1.8
265.15784	0.6
270.38107	0.6
271.08411	1.1
272.09082	2.2
276.09927	0.7
278.08041	2.9
280.06036	54.4
281.06317	2.3
292.06076	0.8
296.09158	52.6
297.09592	2.9
298.07141	3.2
300.10181	0.6
308.33899	0.7
320.09134	3.5
338.10196	100.0
339.10535	6.1
341.23990	0.8
380.35233	0.6
382.14313	1.1
384.12296	49.1
385.12680	4.1
400.15396	12.3
401.15799	1.4
424.10614	1.1
424.15518	13.8
425.15942	1.0
442.16504	74.7
442.38739	4.4
443.16678	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	442.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01859	1.2
56.05014	0.6
57.03434	2.5
60.30751	0.5
61.02903	1.2
65.03920	0.8
68.48597	0.5
68.99757	0.7
69.58317	1.5
70.06589	4.1
71.06915	0.9
73.02911	1.1
77.03934	0.8
81.03422	1.2
81.07040	0.6
85.02886	3.6
86.03210	1.0
91.05474	1.1
93.03387	1.7
94.03705	1.0
95.04962	2.6
96.05283	0.5
99.00789	0.5
100.07558	0.6
103.03914	0.6
103.05442	1.8
104.05769	1.1
105.02672	1.2
105.03381	19.4
105.04459	1.2
105.06993	2.3
106.03719	7.7
109.02838	1.1
110.06022	0.8
111.04426	0.5
119.08767	0.6
121.02837	0.8
121.35451	0.5
129.03334	1.5
130.03680	0.8
131.04898	2.3
132.05249	0.9
135.04399	0.9
147.04405	0.9
148.04698	0.7
151.03827	0.7
157.06488	0.6
159.04417	0.7
161.02307	1.2
162.02780	0.8
162.06378	0.6
163.03906	0.7
166.02263	0.6
173.02263	0.6
176.01047	0.8
176.07036	1.4
177.01740	1.9
177.05266	0.6
178.02110	1.3
179.03357	2.5
180.03705	1.3
181.61581	0.5
187.03821	1.1
188.04196	1.2
189.01826	3.8
190.02159	3.9
191.03336	2.5
192.03714	2.1
195.02887	3.1
196.03221	1.7
199.03799	0.8
200.04385	0.8
201.01874	0.8
201.05409	0.5
202.05748	0.7
203.03334	1.0
204.03848	0.9
205.04807	1.1
206.05351	0.9
207.02902	3.4
208.03296	3.4
212.04250	1.0
215.03343	0.8
216.03690	0.9
218.05292	0.9
219.02904	1.3
219.07759	0.6
220.03050	0.9
221.04395	0.8
222.05003	0.6
224.07959	0.7
225.08673	0.9
226.04463	0.8
227.07069	0.9
229.04779	1.2
230.05215	1.9
235.07372	0.9
236.05655	1.0
236.08015	1.8
237.06082	0.9
237.08659	0.7
239.06566	1.1
240.03639	0.8
245.08076	1.7
247.21535	0.6
251.06931	2.4
252.07552	7.2
253.08133	7.0
254.08812	0.9
257.04315	0.7
258.04788	1.7
262.09460	0.5
263.06961	1.7
264.07404	5.5
265.08176	3.0
266.08801	1.8
267.06223	1.1
268.06946	1.5
275.06989	1.1
276.07452	1.1
277.08340	3.0
278.05688	3.4
278.08896	5.0
279.06268	19.1
279.09647	1.5
280.06888	25.1
280.10382	1.8
281.07681	11.5
282.08380	8.3
284.05338	0.6
285.06018	1.0
286.04166	1.8
289.08179	1.0
290.08896	1.4
291.06454	9.5
291.09488	1.0
292.06885	35.8
293.07602	20.6
294.08325	4.7
295.08942	0.7
297.07449	1.5
298.07928	3.5
301.08258	0.8
302.08917	1.5
303.06516	0.8
303.09583	1.2
304.06818	5.0
304.10416	1.6
305.07840	4.8
306.08508	12.2
307.05899	0.9
307.09201	12.0
308.06284	2.7
308.09915	4.3
309.07538	30.0
310.07864	100.0
311.08160	5.7
312.09421	0.8
313.09940	1.0
314.09021	0.8
316.06906	0.7
317.07895	1.0
318.08340	4.6
319.09241	2.2
320.06348	0.7
320.09769	1.8
321.07446	14.3
321.10797	0.7
322.07892	49.4
322.11215	1.8
323.08200	2.0
324.09418	1.5
330.08484	1.4
331.09253	1.8
332.10013	5.6
333.07205	1.2
334.07831	3.2
335.08981	5.9
336.06284	1.1
336.09439	29.8
337.09787	1.7
340.12036	0.7
341.11984	3.1
342.08316	3.2
342.12921	2.0
345.07141	1.0
346.07913	1.5
348.09555	1.9
349.10291	0.8
350.07312	0.8
350.11032	8.8
352.08875	5.1
358.07907	1.6
359.08777	2.7
360.09476	7.2
362.07327	1.2
363.08578	7.5
364.08932	65.0
365.09235	4.7
370.07852	2.1
375.08524	1.4
376.08908	16.8
377.09293	0.9
378.10626	2.8
388.08932	22.8
389.09082	1.2
394.09976	16.1
395.10605	0.9
406.09985	23.6
406.14069	0.9
407.10385	1.7
424.10999	24.5
424.15796	2.0
425.11038	1.1
442.12012	50.0
442.16962	4.8
443.12228	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01859	2.3
55.05498	2.2
56.41988	0.7
57.03434	5.1
61.02925	8.6
65.03950	1.2
69.03429	18.2
69.07050	1.1
69.63046	0.7
70.06582	10.6
71.04991	5.2
71.42800	0.8
71.79267	0.8
72.08146	3.2
73.02921	5.0
74.06089	1.5
81.03413	9.1
83.01331	0.9
83.08622	4.2
85.02899	100.0
86.09702	14.3
87.00818	2.6
87.04438	2.1
88.57732	0.6
91.03942	5.9
91.05495	0.7
95.04963	0.8
95.08591	1.0
97.02885	21.8
98.97591	0.9
99.04450	5.3
101.09623	1.0
103.03957	1.1
105.01874	2.4
107.08607	0.9
109.02873	11.1
111.04449	1.2
111.08091	1.6
113.09630	1.0
115.03951	1.5
116.07101	5.5
123.08080	1.0
125.02371	0.8
127.03902	27.7
128.04309	0.7
131.10684	1.4
139.03900	2.9
139.07515	1.8
145.04944	43.9
146.05258	1.2
151.03899	0.8
151.07498	1.0
159.02914	2.7
163.05995	15.0
181.03349	0.5
181.04941	16.2
182.05272	1.0
195.02892	17.6
199.18074	2.7
209.11838	0.7
215.13873	1.6
217.11752	4.5
227.12770	1.7
227.17552	2.4
228.13467	2.6
245.13823	1.9
263.14874	1.5
305.06265	2.6
306.06561	1.1
323.07376	3.1
328.22342	2.0
330.20306	0.8
399.16144	1.3
442.13934	6.9
442.27533	0.7
443.13809	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01859	2.3
55.05498	2.2
56.41988	0.7
57.03434	5.1
61.02925	8.6
65.03950	1.2
69.03429	18.2
69.07050	1.1
69.63046	0.7
70.06582	10.6
71.04991	5.2
71.42800	0.8
71.79267	0.8
72.08146	3.2
73.02921	5.0
74.06089	1.5
81.03413	9.1
83.01331	0.9
83.08622	4.2
85.02899	100.0
86.09702	14.3
87.00818	2.6
87.04438	2.1
88.57732	0.6
91.03942	5.9
91.05495	0.7
95.04963	0.8
95.08591	1.0
97.02885	21.8
98.97591	0.9
99.04450	5.3
101.09623	1.0
103.03957	1.1
105.01874	2.4
107.08607	0.9
109.02873	11.1
111.04449	1.2
111.08091	1.6
113.09630	1.0
115.03951	1.5
116.07101	5.5
123.08080	1.0
125.02371	0.8
127.03902	27.7
128.04309	0.7
131.10684	1.4
139.03900	2.9
139.07515	1.8
145.04944	43.9
146.05258	1.2
151.03899	0.8
151.07498	1.0
159.02914	2.7
163.05995	15.0
181.03349	0.5
181.04941	16.2
182.05272	1.0
195.02892	17.6
199.18074	2.7
209.11838	0.7
215.13873	1.6
217.11752	4.5
227.12770	1.7
227.17552	2.4
228.13467	2.6
245.13823	1.9
263.14874	1.5
305.06265	2.6
306.06561	1.1
323.07376	3.1
328.22342	2.0
330.20306	0.8
399.16144	1.3
442.13934	6.9
442.27533	0.7
443.13809	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.259
Annotation	Militarinone F
Peak:m/z	Relative Intensity
50.26091	0.1
51.74661	0.1
53.03935	0.2
55.05493	0.2
67.05515	0.8
69.07058	0.2
70.15623	0.4
78.03455	0.9
78.08609	0.1
79.04251	0.2
79.05483	0.3
80.05014	4.0
81.07048	1.0
91.05485	0.5
93.07027	1.2
95.04969	0.2
95.08622	1.0
96.04491	2.5
98.22810	0.2
104.68319	0.1
105.07024	0.6
106.02896	0.6
107.08584	1.3
109.10151	0.8
111.04460	0.3
117.07001	0.2
119.08568	0.5
121.10117	0.7
123.11739	0.6
123.40349	0.1
124.03947	100.0
125.04305	1.8
126.46445	0.1
127.43138	0.1
130.27443	0.1
131.08542	0.2
133.10124	0.4
135.11674	1.8
145.10132	0.4
147.08017	0.3
147.11673	0.5
149.13260	0.5
159.11671	0.4
161.13289	0.3
163.14888	0.2
164.06322	0.1
165.55365	0.1
173.09567	0.2
173.36945	0.1
178.58800	0.1
187.11150	0.2
191.10640	0.2
194.43417	0.1
283.20416	0.2
287.23834	0.2
301.21637	0.5
386.81268	0.2
424.24792	9.0
425.25284	0.6
442.25870	20.3
443.20355	0.3
443.25964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.8
57.03437	19.5
59.05829	1.7
59.80566	1.5
60.54317	1.2
61.02927	12.4
69.03423	34.9
69.71861	5.8
71.01350	4.1
71.05010	2.1
73.02497	2.5
73.02914	62.5
81.03426	4.8
85.02901	100.0
86.03244	1.7
87.04469	3.7
91.03964	4.6
91.04514	1.3
97.02892	62.9
99.04450	4.7
103.04005	2.8
103.04735	1.7
109.02879	8.2
115.03928	27.7
116.04346	1.6
127.03905	33.9
133.04950	34.1
141.31812	1.4
145.04956	43.7
149.78935	1.5
163.06020	22.0
164.42300	1.4
193.04868	1.5
217.07057	2.3
221.95334	1.4
223.05991	4.5
226.73927	1.5
239.54111	1.6
241.07054	6.4
259.08096	7.4
408.08548	1.7
451.05307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
58.06588	1.8
61.83811	0.6
63.00993	0.5
70.06582	1.9
71.40574	0.7
79.05494	0.6
84.08146	15.8
84.08649	0.8
96.08124	1.6
98.09692	2.6
110.09676	2.0
111.10445	1.7
112.11201	0.9
115.05408	0.6
116.67908	0.6
118.61605	0.6
121.06465	0.6
128.10724	5.2
131.04926	0.7
131.07301	0.7
137.05995	1.5
141.06984	15.1
145.13383	1.9
147.04256	0.7
148.11267	0.7
150.73239	0.5
151.07544	0.6
161.06006	1.0
168.05743	0.6
169.06485	57.6
170.06877	2.7
173.10756	4.0
175.11852	0.5
186.06725	2.0
194.03685	0.6
201.09103	62.9
202.09451	2.2
253.09724	1.1
254.08107	0.9
268.09586	0.7
270.14948	3.7
271.15585	3.6
282.13608	1.4
283.12064	1.2
288.15958	4.0
296.15176	0.7
297.15994	2.2
298.14355	17.6
299.14746	1.2
311.13840	0.8
327.17007	1.7
328.17752	0.7
337.19214	0.6
338.02600	0.9
340.17932	2.5
355.20148	100.0
356.20456	7.2
442.08923	5.2
442.26978	34.2
443.27295	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
58.06588	1.8
61.83811	0.6
63.00993	0.5
70.06582	1.9
71.40574	0.7
79.05494	0.6
84.08146	15.8
84.08649	0.8
96.08124	1.6
98.09692	2.6
110.09676	2.0
111.10445	1.7
112.11201	0.9
115.05408	0.6
116.67908	0.6
118.61605	0.6
121.06465	0.6
128.10724	5.2
131.04926	0.7
131.07301	0.7
137.05995	1.5
141.06984	15.1
145.13383	1.9
147.04256	0.7
148.11267	0.7
150.73239	0.5
151.07544	0.6
161.06006	1.0
168.05743	0.6
169.06485	57.6
170.06877	2.7
173.10756	4.0
175.11852	0.5
186.06725	2.0
194.03685	0.6
201.09103	62.9
202.09451	2.2
253.09724	1.1
254.08107	0.9
268.09586	0.7
270.14948	3.7
271.15585	3.6
282.13608	1.4
283.12064	1.2
288.15958	4.0
296.15176	0.7
297.15994	2.2
298.14355	17.6
299.14746	1.2
311.13840	0.8
327.17007	1.7
328.17752	0.7
337.19214	0.6
338.02600	0.9
340.17932	2.5
355.20148	100.0
356.20456	7.2
442.08923	5.2
442.26978	34.2
443.27295	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	443.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82555	1.1
69.72256	1.0
70.06587	2.3
71.43416	1.3
79.05452	1.1
103.05473	1.8
131.04939	3.9
138.05434	1.1
165.09119	4.0
203.62874	1.3
279.02936	2.1
313.06891	2.2
321.03711	3.5
339.04721	33.9
340.05356	2.1
357.05746	10.6
365.07715	2.4
397.10385	2.4
399.11700	2.3
425.09967	11.9
443.11029	100.0
444.11371	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	443.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73221	0.4
68.01381	3.4
68.99786	2.7
83.49763	0.4
86.02414	1.7
86.50616	0.4
88.45107	0.4
91.05457	1.4
92.99263	0.5
92.99763	3.4
94.02937	0.5
105.03284	0.4
107.04936	1.2
110.02380	1.0
111.00792	1.8
118.06541	6.7
118.07321	0.8
119.04918	3.1
122.02391	1.3
123.04421	0.7
126.46656	0.5
130.06522	10.2
138.01834	1.2
144.04428	1.8
145.48468	0.4
146.05989	2.3
147.04414	8.2
150.01892	1.0
157.07602	6.0
158.06013	8.0
160.00320	0.4
166.01299	0.9
167.02135	0.6
168.03104	0.5
169.07625	0.5
178.01349	100.0
179.01668	2.1
180.02847	0.5
182.00627	0.4
182.06070	0.4
185.07080	3.4
196.02406	0.7
203.31470	0.4
206.00839	30.5
207.01161	0.7
213.06552	1.0
221.07118	1.1
224.01907	1.3
232.06331	0.5
233.06578	0.6
249.06563	0.6
253.06059	4.2
256.72122	0.4
271.07104	1.3
277.06070	0.5
281.05524	1.0
284.05591	1.2
295.07144	7.7
298.07260	2.1
305.05475	2.1
307.10022	0.6
323.06607	52.7
324.06989	2.1
326.06549	8.7
341.07755	2.6
410.16028	0.5
411.16336	3.6
425.11423	0.7
426.11829	0.6
443.12375	89.7
444.12674	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	443.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
69.40121	2.5
70.06564	1.9
72.08134	1.6
76.02212	2.3
79.05483	8.4
84.04021	1.1
84.04500	14.9
86.09708	5.5
86.99080	0.8
91.05477	1.1
95.04968	1.4
102.05530	0.9
102.84830	0.6
103.05442	8.1
105.00069	1.7
105.07023	66.2
106.07345	1.6
114.03696	0.6
115.05450	13.2
118.04173	4.6
118.04856	0.8
119.04875	0.9
121.02824	0.7
122.02717	18.1
130.04993	9.9
131.04901	3.2
133.06480	61.6
134.06770	1.9
142.03212	2.5
143.04919	1.5
143.06041	6.2
151.03856	0.7
160.92596	0.7
161.05965	100.0
162.06277	3.0
188.03738	3.3
193.08591	52.6
194.08936	1.8
234.04285	4.1
251.06943	34.7
252.07333	1.0
290.97507	0.8
297.03897	1.0
297.18076	0.8
305.06207	2.4
323.07257	3.3
425.11874	1.1
431.40329	0.9
443.13513	3.8
443.29620	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	443.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66371	0.5
55.01847	1.1
56.05037	7.9
58.99582	3.3
59.51134	0.6
62.05391	0.5
68.05006	1.2
69.07077	0.9
69.35940	2.6
70.06593	3.1
76.02227	5.7
79.05467	1.7
80.05018	1.6
84.04501	23.8
86.00642	0.7
86.09706	5.6
86.99055	1.0
88.03998	0.8
91.05457	1.0
94.48172	0.6
98.23423	1.5
99.72499	0.6
103.05466	4.3
104.06327	0.8
105.00031	0.7
105.07030	14.1
107.04951	0.8
113.19990	0.6
114.03736	4.0
115.05420	2.9
118.04146	0.9
119.04944	0.9
120.52201	0.6
122.01873	0.6
123.04408	1.9
124.05165	0.8
130.04997	3.3
131.04930	6.8
132.04700	0.6
132.05708	11.5
133.06487	14.7
134.01900	0.8
135.02670	0.8
137.04196	0.9
142.03215	7.0
143.06023	1.0
147.02621	2.2
147.04385	2.2
148.04280	1.4
150.01344	9.2
160.04208	10.2
161.00531	0.9
161.05981	13.1
163.02100	1.8
165.03702	21.2
167.07031	35.1
175.01987	0.8
177.05365	0.7
178.00850	6.6
178.06267	0.9
187.08145	0.6
188.03807	4.7
191.07025	1.7
192.07816	6.4
193.03188	19.6
193.08592	100.0
194.03847	0.8
194.08934	2.6
208.29280	0.7
209.02678	0.7
210.03491	1.2
217.08090	0.6
223.04292	0.8
225.05765	19.0
226.05919	0.9
297.07904	5.5
305.06281	0.7
314.10562	7.6
323.07462	2.1
351.91885	0.7
383.14456	0.9
399.16150	0.9
425.12759	0.7
426.12106	2.4
443.14719	10.8
443.29666	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	443.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03477	3.4
55.04241	2.5
60.64288	1.0
69.03439	1.8
70.06599	4.2
81.04539	21.9
82.05319	9.8
85.02919	1.8
108.05650	1.4
109.02855	1.5
110.07172	1.8
116.07080	1.2
122.07150	100.0
123.07937	93.5
124.08309	2.1
144.04895	1.7
160.04260	2.2
160.26147	1.0
163.26534	1.1
165.07759	4.4
167.95551	1.0
172.04305	1.2
281.10657	59.1
282.11200	2.1
303.39172	1.0
323.12106	1.1
443.16034	73.1
444.16083	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	443.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	3.5
55.04252	4.5
59.63206	0.9
69.03427	1.8
70.06589	2.3
71.40295	1.4
80.15463	0.9
81.04536	22.5
82.05321	10.4
83.23199	0.8
85.02892	2.2
87.04483	0.9
122.07153	100.0
123.07932	98.3
124.08262	1.8
133.85245	1.1
153.45975	1.1
160.04225	1.3
165.07722	4.0
172.04250	1.7
187.03893	1.5
281.10660	61.1
282.10977	2.1
288.00159	1.0
323.11771	1.1
443.16000	73.3
444.16418	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	443.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
75.84679	0.6
79.05468	1.4
81.07010	0.7
84.04449	0.6
91.05489	1.3
104.91062	0.7
107.04976	3.3
115.05424	1.4
119.04935	0.8
121.02873	2.4
123.04414	0.6
124.05214	0.7
128.06181	0.7
129.07013	1.2
131.08571	1.1
141.06960	4.2
143.08548	0.7
147.04387	2.5
151.07542	1.1
153.05574	0.8
153.06976	0.8
157.06468	3.4
158.07262	2.1
159.07997	0.8
161.05894	0.8
167.07025	4.6
168.05748	0.9
169.06468	2.1
170.07259	2.7
175.07451	0.7
179.08434	0.6
183.08066	0.8
185.06010	0.9
186.06735	5.0
187.07541	0.8
189.07030	1.8
190.07809	1.1
191.08543	2.7
194.07133	0.9
195.08203	0.6
198.06734	1.0
200.08342	2.7
201.09091	4.6
201.82919	0.6
202.07806	2.6
203.08577	2.6
205.06564	1.3
205.08456	1.1
205.10164	1.2
207.08099	1.0
208.08911	0.6
209.09651	0.7
211.07440	1.0
215.08604	1.8
216.09505	0.6
217.08389	1.2
217.10280	0.8
218.07271	2.3
219.08037	8.0
220.08829	3.7
221.06053	1.0
221.09683	0.8
222.06783	0.7
222.65329	0.7
229.08546	10.3
230.07268	2.3
231.08006	4.9
231.10210	2.6
232.08768	1.5
233.05882	1.4
233.09583	3.4
234.06731	1.5
234.10394	1.8
235.07504	2.2
235.11118	1.1
236.08360	1.4
237.09180	1.1
242.07283	0.8
244.08742	1.3
245.05975	1.2
245.09579	2.9
246.06699	0.9
247.07523	11.4
247.09955	0.8
248.08282	9.0
249.05511	0.7
249.09094	2.4
250.06233	1.3
251.06906	1.3
251.10782	1.3
258.06808	2.1
259.07431	4.4
260.08185	1.0
261.05484	1.6
261.09052	4.2
262.06354	1.2
262.09869	5.2
263.07361	1.0
263.10681	7.7
264.07797	3.0
264.10904	0.8
265.08557	4.9
273.09070	1.7
274.06320	1.6
275.07025	6.0
276.07828	8.4
277.05057	1.9
277.08542	5.2
277.11530	0.9
278.05798	1.2
278.09296	1.1
279.06488	1.8
279.10162	3.0
280.10782	0.9
287.06921	1.3
288.07864	0.7
289.08527	1.4
290.09259	3.9
291.06760	1.2
291.10120	12.0
292.07291	6.0
292.10757	1.5
293.08008	9.4
293.11255	1.1
294.08774	2.5
294.12030	0.7
295.06107	2.0
297.11252	0.8
303.06342	1.3
304.07236	1.5
305.08133	3.1
305.11200	2.8
306.05283	0.9
306.08923	0.9
307.06003	1.7
307.09564	9.2
308.06964	1.0
308.10284	5.1
309.07526	1.0
309.10855	1.4
310.08151	1.2
315.08539	1.6
319.09598	7.9
320.06833	1.3
320.10165	1.3
321.07516	4.2
321.11227	2.1
322.08148	2.2
322.12027	2.9
323.05344	1.4
323.09067	1.1
323.12744	6.1
325.10556	1.6
330.10724	1.1
333.11145	0.7
335.09067	2.6
336.09854	4.7
337.10620	8.4
338.07727	3.3
339.12250	1.6
350.11328	2.9
351.12244	11.7
352.12915	2.2
353.10184	11.6
354.10687	1.1
368.12518	13.9
369.12991	1.6
383.14862	100.0
384.15161	7.1
399.19891	0.8
443.12802	1.2
443.18039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68544	0.4
69.98162	0.9
69.98499	0.5
71.08601	0.4
71.67272	0.4
79.05518	0.5
85.02873	0.5
93.07033	0.5
95.08595	0.9
98.48376	0.5
104.43914	0.4
115.31122	0.4
119.04931	0.6
121.02868	1.6
135.02396	0.4
147.04433	1.3
151.07529	0.8
169.04878	0.4
185.04247	0.8
191.10742	0.5
195.13654	2.3
223.13135	0.7
227.05284	1.0
247.00189	0.5
357.18832	10.2
381.18909	0.7
383.14941	1.6
399.19870	43.0
400.20193	1.8
443.18848	100.0
444.19376	5.5
444.65692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49516	0.6
59.04869	20.5
60.05348	1.1
60.05649	16.6
67.18134	0.5
68.05029	1.8
69.84392	2.1
70.06593	85.8
71.06942	0.9
72.05630	1.5
73.06409	1.1
82.06587	1.5
85.07676	1.9
86.07193	24.0
87.07975	54.8
89.82190	0.5
91.05421	0.6
95.06098	2.3
98.06083	1.8
103.05463	0.6
109.33451	0.5
112.08734	4.4
113.06002	2.0
119.06921	1.7
127.08669	4.9
128.07062	1.3
130.08641	28.5
131.04947	1.7
131.09013	0.6
133.98114	0.6
138.01865	1.1
140.08194	1.3
152.07178	0.6
155.08224	0.9
162.53191	0.6
164.07068	0.9
166.01321	0.7
167.02148	9.1
168.02942	2.2
172.10814	53.9
173.11601	11.2
174.12303	1.0
175.99916	0.7
178.01332	2.1
178.04971	1.1
180.02997	0.7
185.03178	2.1
192.06589	4.8
196.82207	0.6
220.06049	59.6
221.06415	2.0
238.07126	1.2
245.05603	2.6
248.05684	1.0
261.22311	0.6
267.45761	0.6
271.08414	2.6
272.09320	0.9
282.11227	0.9
305.07849	2.7
308.17880	0.6
322.10382	1.3
324.12296	61.6
325.12653	3.6
349.11887	1.7
366.14529	0.7
384.14377	21.3
384.19199	1.3
385.14752	1.2
409.13940	4.1
411.16724	5.2
426.16736	8.1
427.17758	0.6
443.19250	100.0
444.19675	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	443.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49065	4.2
79.86895	3.7
151.07472	7.4
181.74785	3.9
391.80380	4.4
425.30487	4.6
443.24100	100.0
444.24298	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	443.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42645	3.4
65.51334	3.6
66.42899	3.1
68.42946	3.8
69.43533	14.3
75.31118	4.0
79.05453	3.5
85.71215	3.4
99.97533	3.5
112.28799	4.0
113.26063	3.4
159.94142	3.6
188.73038	3.5
275.07040	3.7
326.47327	3.7
353.10345	4.5
368.12540	4.7
383.14752	12.4
386.76251	3.4
443.23969	100.0
444.24280	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	443.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	9.7
69.16740	53.9
81.07056	9.2
91.05491	11.5
95.08584	13.4
105.07004	15.6
117.04801	8.5
124.03951	90.1
133.10143	7.8
147.04468	8.1
287.18240	9.1
359.42322	7.8
383.18509	10.5
425.26657	20.7
443.20142	100.0
443.26202	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.3
61.43153	4.1
69.15936	15.6
69.16338	15.0
70.06588	20.6
72.08155	5.5
74.92883	4.7
76.31493	4.4
81.07078	5.2
86.09663	5.4
88.07623	8.0
98.23422	10.4
98.33624	4.3
109.10135	4.5
121.10160	6.9
125.62452	4.5
132.10194	12.6
146.11760	10.3
162.03128	5.9
174.79742	4.8
178.21397	4.6
184.04501	6.9
320.67682	9.5
330.24399	4.9
338.34146	8.0
382.36761	31.0
443.25375	95.4
444.26279	8.3
444.40466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.6
58.06586	0.6
69.03432	0.4
69.07069	3.1
70.06588	26.3
70.50268	0.6
71.06915	0.9
71.94573	0.4
72.08154	1.4
74.06075	15.9
84.04504	1.8
84.08119	0.7
85.02894	0.6
86.09700	100.0
87.10036	1.3
92.21758	0.4
114.05524	1.9
114.09236	0.4
116.07086	53.7
117.07451	0.6
121.02038	0.4
121.02892	0.5
121.03954	0.4
130.04988	0.6
141.10254	0.6
142.08629	1.3
142.12286	0.7
152.10747	0.8
153.10280	1.0
181.09714	1.0
183.14972	0.7
195.02876	1.7
199.10774	8.0
199.18039	23.9
200.18332	0.6
211.14401	0.8
213.08504	0.4
215.13902	3.3
217.11824	41.7
218.12140	0.9
227.10242	2.9
227.17519	24.9
228.17941	0.8
229.15367	0.7
230.15630	0.5
243.13336	0.9
283.20090	1.0
284.19693	1.1
288.40909	0.5
305.06305	1.5
310.21042	0.7
312.19208	1.8
323.07217	2.1
328.22296	15.2
329.22549	1.0
340.18661	0.8
425.11652	0.6
425.27414	4.3
443.13336	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	443.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	3.2
57.03423	0.9
58.06592	0.9
69.03419	1.1
69.07053	2.8
70.06586	25.1
70.79571	1.0
71.06918	1.2
72.08152	4.1
73.02905	0.7
74.05650	0.6
74.06072	13.1
81.07042	0.6
84.04489	1.3
84.08130	0.9
85.02895	4.6
86.06047	0.6
86.09698	100.0
87.10036	2.1
97.02861	1.8
102.05501	0.5
105.01866	0.6
105.44156	0.4
109.02866	0.9
114.05540	2.1
116.07082	46.5
117.07429	0.7
118.72373	0.6
121.02850	0.7
121.03961	0.7
127.03915	1.8
139.03932	0.6
142.08643	1.0
142.12236	0.9
145.04929	1.7
147.07634	1.3
181.09711	1.1
183.14850	0.6
185.09251	1.2
195.02895	3.2
199.10776	8.3
199.18028	24.1
200.18300	0.8
213.08694	1.1
215.13924	3.0
216.14156	0.6
217.11819	41.2
218.12094	1.2
219.11310	0.9
227.10281	2.2
227.17516	21.9
228.13417	0.7
228.17836	0.8
243.13309	1.1
284.19708	2.1
305.06326	4.5
312.15729	0.9
312.19122	1.9
323.07346	5.2
328.22256	11.3
329.22723	0.8
340.18680	1.1
399.15302	0.6
425.12051	1.7
425.27371	4.1
443.13455	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	443.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10171	0.3
53.65586	0.3
56.05045	0.3
56.82066	0.3
57.05798	0.3
60.05643	5.7
69.07063	8.4
69.47957	1.4
70.06585	21.6
71.04966	0.6
71.06953	0.4
72.04522	0.4
72.08151	2.1
84.08130	0.4
85.02865	0.8
85.44044	0.3
86.09696	100.0
87.10015	1.6
97.07677	0.4
98.09679	0.3
112.08717	3.4
113.07188	0.6
114.10282	0.5
115.08678	3.4
116.07082	9.9
128.10706	16.0
128.11699	0.8
130.09720	2.8
131.11765	0.3
133.09706	0.8
156.10141	1.1
156.11299	7.2
158.09239	7.0
163.07693	0.3
169.13300	0.5
175.11894	16.2
176.12288	0.5
179.85928	0.3
187.10782	0.7
199.17990	0.5
215.10287	0.8
217.11787	0.5
226.15463	0.5
229.15442	0.7
263.16348	0.3
269.18652	1.3
271.17621	9.4
288.20352	0.9
305.06409	0.6
323.07373	1.2
328.22241	0.4
370.82712	0.3
380.29434	0.3
401.27600	0.4
411.34656	0.3
417.92740	0.3
425.28439	1.0
443.13412	1.2
443.29721	76.8
444.29990	4.8
454.97174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	3.3
58.99580	0.8
60.05349	0.6
60.05642	6.2
60.07548	0.3
68.05025	0.5
69.07064	8.4
70.06587	21.4
70.15428	1.1
72.08147	1.8
74.06075	1.1
77.89439	0.4
84.04505	2.1
86.09699	100.0
86.99020	0.5
87.10022	1.6
97.07610	0.5
98.06028	0.4
98.22781	0.5
101.32851	0.4
103.95805	0.4
105.07017	1.6
112.08729	4.4
114.03747	1.1
115.08687	3.4
116.07078	6.5
116.07795	0.6
121.02809	0.4
128.10713	16.6
128.11674	0.6
130.04977	0.6
130.09744	2.4
132.05719	0.9
133.06499	1.8
133.09702	0.9
155.76675	0.4
156.10158	1.0
156.11316	7.2
157.10829	0.5
158.09242	7.6
160.04251	4.4
161.04842	0.4
161.05946	2.2
165.03688	1.5
167.07050	1.5
175.11896	16.8
182.15462	0.5
185.21268	0.4
191.07002	0.5
193.03189	1.3
193.08589	4.3
199.17915	0.5
215.10280	0.5
224.96936	0.7
225.05740	2.2
242.98151	1.6
251.17642	0.4
269.18625	0.7
271.17618	7.5
288.20279	0.9
314.10507	1.4
323.07123	0.4
363.03729	2.1
381.05099	0.8
401.27496	0.5
425.28751	0.8
426.12131	0.5
443.29727	79.0
444.29999	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	444.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01886	0.5
53.00315	0.5
54.03461	0.4
55.01870	2.1
56.85493	0.5
57.03423	0.9
57.55970	0.4
61.02902	0.6
68.01371	1.6
68.05005	0.7
68.99789	3.0
70.02931	0.4
73.02901	0.7
74.78737	0.4
78.23616	0.4
84.04496	1.1
85.02888	1.8
86.02415	0.9
86.09660	0.7
86.22814	0.4
91.05447	0.8
92.01374	0.7
92.99751	2.5
94.02917	1.1
95.01333	1.3
96.04477	1.6
101.02356	0.7
106.02893	0.6
110.02416	0.9
112.03963	1.9
114.01859	0.4
118.52466	0.4
119.04922	1.8
120.04472	0.5
121.02858	0.9
121.06447	0.5
122.02390	1.8
123.00800	0.7
124.03932	1.9
128.03392	1.1
132.37523	0.5
134.21838	0.4
136.03937	0.6
138.01848	4.4
140.03423	3.6
147.04391	5.6
148.00290	2.3
148.04002	0.7
150.01845	1.8
152.03413	1.3
153.01811	2.1
154.01347	0.5
156.02956	1.1
158.04430	0.6
161.05928	0.7
162.01834	0.9
164.03419	1.0
165.01881	0.5
165.43683	0.4
166.01366	2.7
166.99918	0.5
167.02118	7.3
168.02916	5.3
178.01341	56.5
179.01704	1.3
180.02905	2.9
182.04395	0.6
184.02350	0.7
185.03125	2.8
185.54495	0.4
186.03954	10.2
188.03426	0.8
189.78209	0.5
190.01318	2.5
192.02924	4.0
194.00871	4.1
194.04683	0.4
196.02423	1.3
196.94035	0.4
204.02936	3.1
206.00858	3.8
206.04448	1.3
208.02376	2.3
214.03517	1.0
216.02905	1.5
218.00812	4.1
218.04446	0.6
220.02367	3.6
220.10895	0.5
222.00334	4.6
222.03706	0.6
224.01924	1.6
228.05038	0.7
232.02382	3.8
234.00320	1.9
234.03935	1.9
236.01855	4.0
238.03522	0.5
242.02968	0.6
244.02408	1.5
245.04329	0.6
246.00244	0.9
248.01865	2.6
249.99860	5.2
250.03406	1.3
251.00539	0.6
252.01482	0.5
260.01993	1.9
262.03543	2.0
264.01337	2.0
266.02997	1.0
268.00836	6.7
270.07315	0.4
272.03818	0.9
276.01331	0.8
278.02866	5.2
282.02307	0.6
293.80753	0.5
294.02356	1.8
296.04007	3.7
298.07227	2.6
300.03607	1.7
306.02380	10.1
324.03470	100.0
325.03821	3.8
342.04498	1.2
352.04514	1.1
354.06198	0.6
356.07788	0.5
368.07761	0.8
370.05585	5.0
398.08594	1.3
402.08105	0.9
423.53348	0.5
426.08176	7.2
444.09192	16.8
445.09555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69919	0.4
52.68640	0.4
68.99786	5.3
79.05490	0.4
95.01316	1.0
95.04943	0.6
103.05460	12.9
105.04511	0.5
112.03957	1.3
115.05429	1.4
117.07013	2.5
123.00731	0.5
127.05424	0.4
128.06227	0.9
131.04922	24.8
138.01877	0.8
140.03410	16.4
145.06430	2.3
155.04900	2.4
155.06055	1.6
168.02911	94.5
169.03290	1.8
173.05974	35.5
174.06314	1.0
181.71045	0.5
194.00873	2.2
230.08118	1.3
270.05286	0.4
272.09149	100.0
273.09509	5.6
280.06110	1.3
298.07123	0.8
308.05551	1.6
426.13574	0.9
468.41190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02706	19.1
58.63348	18.0
65.34121	18.5
67.73209	19.7
69.03426	33.3
69.33670	100.0
70.06574	19.5
77.45071	16.9
81.03415	19.1
81.07050	47.6
85.02901	66.2
87.04453	36.9
89.06028	21.9
97.02910	37.6
98.23399	45.6
105.01825	28.1
105.07026	25.3
105.38497	21.2
109.02908	31.5
117.68722	17.2
119.05008	24.4
119.08601	17.6
121.02873	69.6
124.03965	43.6
127.03897	55.2
133.10095	23.8
145.04912	36.0
156.03133	18.1
167.97446	19.6
254.57956	20.5
384.15192	64.1
426.24875	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19088	3.9
73.04753	5.3
77.00596	23.4
84.55165	2.4
87.04456	2.9
91.05791	5.7
95.01643	47.5
97.73967	2.3
102.69926	2.3
103.03943	50.3
109.27249	2.1
109.98529	2.6
118.03227	2.6
121.03210	3.6
131.05255	7.3
133.03146	10.7
145.06795	6.7
147.04704	32.1
156.14734	2.7
167.05563	3.9
169.03465	9.5
171.45139	2.6
175.07860	29.8
178.53403	2.4
189.09322	3.3
195.05101	3.6
203.07405	13.6
205.05154	3.6
212.13025	2.6
223.06374	3.7
239.09393	4.4
247.09970	100.0
248.10170	4.4
265.11102	4.7
287.68274	2.8
443.33414	2.7
444.33698	8.9
444.39639	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	444.2745
Annotation	(+)-N-Deoxymilitarinone A
Peak:m/z	Relative Intensity
52.54455	0.3
53.03940	0.5
55.05512	1.5
57.07085	0.3
65.03937	0.3
67.05211	0.3
67.05507	3.5
69.03419	0.3
69.07063	2.2
69.95160	0.8
71.04980	0.4
78.03445	2.2
79.05488	3.7
80.05013	3.9
81.07057	6.2
83.04974	0.5
83.08620	1.3
85.07541	0.3
91.05430	2.6
93.07042	5.1
95.04944	0.6
95.08601	6.1
96.04491	3.7
97.06508	0.7
97.10174	0.3
98.23464	0.3
105.04519	0.4
105.07027	5.7
106.02910	5.8
107.08587	4.9
108.04469	0.3
109.06546	0.4
109.10152	3.5
117.07011	1.2
119.08578	6.4
119.89725	0.2
121.02817	0.2
121.06535	0.6
121.10136	3.7
123.08036	0.3
123.11684	1.0
124.03945	100.0
125.04272	1.2
128.06207	0.5
129.07008	0.7
131.08549	2.8
133.10120	4.3
135.08049	1.0
135.11681	1.8
137.09644	0.4
138.05482	1.2
141.06873	0.3
142.07719	0.7
143.08574	1.9
144.09299	0.3
145.10118	4.4
147.08002	0.3
147.11670	3.5
149.09619	0.5
149.13251	1.3
155.08562	0.7
156.09317	0.8
157.10120	2.5
158.10912	0.4
159.11676	4.7
160.12006	0.3
161.09645	0.3
161.13220	2.2
161.88165	0.3
163.11206	0.7
163.14835	0.5
163.39433	0.3
165.40862	0.3
168.09166	0.3
169.10147	1.5
170.10905	0.5
171.11655	2.2
173.13213	2.7
175.11224	0.6
175.14806	1.8
177.12817	0.4
177.16388	1.4
182.10999	0.4
183.11723	2.0
184.12300	0.3
185.13222	2.3
187.14786	4.0
188.15236	0.4
189.16472	1.1
197.13281	1.9
198.13971	0.4
199.14818	1.7
201.16367	1.5
203.14279	0.7
205.15862	5.1
209.13196	0.3
211.14851	1.9
213.16374	0.7
215.14343	0.5
215.17876	0.6
224.34361	0.3
225.16364	1.2
227.17876	0.4
241.19498	0.6
255.21185	0.5
257.22659	1.2
267.21051	3.5
285.22156	2.4
303.23035	0.4
323.74353	0.3
351.82626	0.4
380.25735	1.2
390.24167	5.9
391.24374	0.4
407.23727	1.3
408.25101	11.7
409.25504	0.9
426.26346	11.0
426.32132	0.6
427.26752	0.6
434.06094	0.3
444.27368	7.0
445.16287	2.5
445.28381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
65.03935	0.7
67.05500	4.1
69.07064	2.4
69.95412	1.6
78.03460	2.4
79.05497	3.5
80.05016	4.0
81.07049	5.8
83.08611	1.3
87.59746	0.4
91.05436	2.7
93.07043	5.6
95.04984	0.9
95.08592	6.0
96.04492	3.4
97.06512	0.6
97.10146	0.5
98.23409	0.6
105.07022	4.4
106.02915	7.0
107.08579	4.5
108.84925	0.4
109.10137	3.0
117.06982	1.4
119.08572	5.5
121.02862	5.6
121.03722	0.7
121.06493	0.6
121.10158	4.1
121.42226	0.5
123.11715	1.1
124.03946	100.0
125.04287	1.7
126.66805	0.5
129.06975	0.7
130.06534	0.7
131.08543	2.6
133.10135	5.0
135.08049	1.4
135.11673	2.6
136.06181	1.6
137.09593	0.5
138.01814	0.5
138.05489	3.9
142.07745	0.6
143.08531	1.5
145.10133	3.9
147.11649	2.7
149.13264	1.1
152.03471	1.1
155.08481	0.6
156.09262	0.7
157.10129	2.6
158.10832	0.6
159.11665	3.9
161.13206	2.3
163.11195	1.0
166.01376	0.7
167.02228	0.6
167.05562	0.5
169.10117	1.0
171.11670	2.0
173.13246	2.2
175.11111	0.5
175.14777	2.3
177.16370	1.9
180.02888	5.7
183.11691	1.4
185.13264	2.0
187.14853	4.1
189.16353	0.8
197.13188	1.5
199.14793	1.9
201.16376	1.7
203.14275	0.7
205.15883	6.7
211.14867	1.4
213.16406	0.6
215.14381	0.6
223.31107	0.5
225.16388	1.0
241.19530	0.5
243.16974	0.5
255.06529	2.0
257.22668	1.0
267.21048	3.3
283.09631	0.5
285.21957	2.3
300.08652	3.2
302.04413	0.5
302.14301	0.5
363.08557	0.6
380.25839	1.9
390.24268	6.1
393.68903	0.5
395.11258	0.9
408.20007	0.9
408.25284	10.3
409.25418	0.7
413.12366	0.9
426.26282	8.4
427.13562	2.2
427.26706	0.9
444.27304	6.0
445.16022	7.4
445.28912	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	445.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26986	1.0
51.62183	1.0
55.01865	3.4
55.05496	1.3
55.19997	1.0
60.05641	2.0
63.74356	0.9
65.03932	3.2
66.04710	1.2
66.94839	1.2
67.01859	1.2
67.05495	3.1
67.46631	0.9
68.99788	3.2
69.03433	1.9
70.06587	9.9
72.08150	2.7
73.04749	9.4
73.06524	1.8
79.05493	2.1
81.03411	5.2
83.01327	3.4
84.08097	1.0
85.02903	2.5
86.03208	1.0
86.09698	1.4
91.05824	18.5
93.03402	3.9
94.04182	1.9
95.01353	1.7
95.04961	10.2
97.02888	2.4
103.05408	1.1
105.03384	6.1
105.33253	1.1
107.01273	1.2
107.04924	6.5
107.08572	1.2
109.02866	4.2
109.03979	1.2
111.04433	2.3
111.05565	2.3
112.08730	2.9
116.11839	1.0
116.29658	0.9
117.03436	1.2
119.04966	2.3
121.02859	19.5
121.06519	3.4
123.04425	9.1
124.11201	1.2
129.37152	1.0
131.04916	2.9
132.11328	6.2
133.02869	5.8
134.03662	6.8
134.04562	1.1
135.04462	3.0
135.05534	1.5
137.02336	4.5
137.03317	1.3
146.16563	0.9
147.00778	1.6
147.04430	5.3
149.02361	5.2
149.04536	1.8
151.03897	14.6
151.05026	2.0
152.04216	2.2
159.04414	1.1
161.02315	8.4
162.03131	1.7
163.03900	14.9
165.01884	3.8
165.07098	1.2
167.05530	9.6
169.01303	11.0
171.04411	1.6
175.03903	2.5
175.11923	2.1
177.01808	2.8
178.02586	3.8
179.03394	8.5
181.01326	6.9
185.05972	3.7
186.03067	1.3
187.03888	33.8
189.01802	6.3
190.02618	3.3
191.03352	4.4
193.01305	6.3
197.05946	4.1
199.02365	6.5
205.01283	2.0
206.02103	2.6
207.02867	10.3
207.08165	1.7
208.03500	1.7
211.07538	3.0
213.05511	2.2
215.03381	2.1
217.01332	6.4
219.02861	12.5
221.01006	1.5
221.06001	2.6
223.02298	2.1
223.07574	1.7
225.04166	4.1
234.01633	3.9
235.02367	32.7
236.02974	2.0
239.07057	4.5
241.05067	5.8
245.00795	7.6
245.04482	1.4
247.02373	14.8
252.02658	4.6
253.04988	2.0
257.04437	2.2
260.03268	2.0
262.48911	1.3
263.01834	9.1
265.03381	45.4
267.06583	3.1
267.72012	1.2
269.04413	31.0
270.04959	2.0
271.05966	5.3
273.00238	6.2
279.06464	2.9
283.05859	1.5
285.03912	1.8
287.05453	2.5
291.01288	12.5
291.06378	2.1
294.05011	1.3
295.05948	7.7
297.03845	1.9
297.07394	1.5
299.05484	12.4
307.06042	3.0
309.02332	27.0
309.07571	2.3
311.05508	4.0
317.06528	2.4
319.06268	1.3
323.05466	48.4
324.06137	6.3
325.07104	1.9
329.06396	1.2
335.05444	3.0
336.06180	4.2
337.07086	4.1
341.06491	1.6
342.99640	2.9
351.04950	7.2
352.05756	100.0
353.06366	9.7
359.02777	13.2
363.04944	3.1
365.06543	77.0
366.06882	5.9
370.06790	30.8
371.07364	5.4
381.05951	1.9
382.24319	1.2
383.07614	3.6
391.04346	3.3
399.07367	1.3
401.08582	3.5
409.05536	7.7
427.06546	20.0
429.08893	1.3
444.19388	2.9
445.07367	9.1
445.20615	7.8
446.07828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1492
Annotation	(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one
Peak:m/z	Relative Intensity
54.92794	0.2
58.17771	0.3
65.03942	0.3
70.92261	0.2
70.92619	0.2
76.80578	0.2
79.05479	0.6
91.05459	1.0
95.04987	0.3
99.33381	0.2
103.05427	0.2
105.07018	2.1
107.04942	0.6
113.69824	0.2
115.05400	0.2
118.04163	0.7
119.01356	0.3
119.04928	1.4
120.02097	0.4
121.02860	6.9
131.07101	0.2
133.06485	0.9
135.04372	0.6
136.19710	0.2
145.02837	5.3
147.00722	1.1
151.03764	0.3
165.01840	4.8
165.06987	0.3
165.09077	0.4
177.05435	0.6
178.07626	0.2
179.03378	1.2
179.08510	0.2
181.06508	0.4
182.07166	0.3
183.02806	0.3
197.04359	0.4
197.09457	0.2
199.48531	0.2
205.29692	0.2
210.06738	3.9
221.05937	2.5
223.07532	1.2
223.94238	0.2
237.05455	6.9
238.06198	4.5
239.07013	12.5
240.07335	0.8
251.07010	0.3
253.08571	21.5
254.08833	1.2
265.04968	2.8
265.07733	0.4
270.05121	0.3
279.06482	0.9
279.10150	1.1
283.05994	0.4
297.07547	100.0
298.07886	5.6
299.52185	0.3
307.09705	0.4
389.68530	0.2
395.11298	1.4
427.13855	27.0
428.14252	2.1
445.16049	4.5
446.15704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	1.3
62.45072	1.1
65.03940	1.7
67.05485	1.7
69.03415	2.8
71.04980	3.4
73.02899	3.6
73.04749	5.6
79.05471	2.9
80.05490	1.6
81.03427	1.8
85.02894	1.5
86.09702	13.5
87.04462	3.1
89.06042	6.3
90.35441	1.2
91.05827	11.4
93.07030	1.3
95.04959	4.0
97.02900	3.1
99.75314	1.3
102.06824	1.2
105.03381	1.9
105.07014	3.6
114.30544	1.2
115.05434	1.1
117.05988	1.5
119.04894	6.3
121.02856	41.1
123.04399	2.9
127.03971	1.4
131.04936	1.3
133.08623	1.4
137.02364	2.7
141.78122	1.2
145.02838	7.9
145.10065	1.3
147.04372	1.9
149.02333	1.9
151.03905	3.7
163.03932	4.1
165.01862	5.6
165.05460	5.6
167.03368	2.7
167.05562	5.7
171.04358	1.4
177.05513	3.4
177.11201	2.1
179.03398	1.6
181.01314	2.0
187.03839	1.8
189.05470	1.3
205.01147	1.8
207.02859	1.5
207.06480	4.8
209.04506	5.1
211.02390	1.4
217.12341	1.5
219.02982	1.8
225.04156	1.7
235.05917	1.6
237.05605	1.5
239.07112	2.6
253.08560	8.7
254.09254	1.7
255.02895	5.4
255.06473	3.0
265.04803	1.5
265.08749	1.4
267.06494	30.2
268.07111	4.2
269.08136	8.4
279.10104	4.0
281.04840	2.4
281.08051	6.6
282.08820	6.6
283.06110	1.7
284.48965	1.4
292.07169	2.1
293.08365	2.0
295.06030	10.1
295.08957	1.8
295.13055	1.8
297.07550	23.3
297.11218	26.6
299.05551	3.8
301.03418	4.5
307.06100	1.7
307.09555	10.5
309.07480	12.5
310.08142	1.7
313.07053	15.5
325.10910	3.3
326.07904	1.8
335.08969	6.1
337.07025	3.2
339.08560	3.2
339.12314	5.5
341.06454	2.3
341.10196	24.2
342.10693	1.5
342.99698	1.5
347.05551	1.3
349.10712	4.3
351.08685	2.4
353.10126	2.1
355.08160	1.8
359.02939	8.7
367.11707	4.6
369.09659	100.0
370.09982	5.4
381.09659	5.2
395.11279	3.5
413.12265	8.1
445.15167	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15686	0.6
65.03918	1.0
68.99785	0.6
69.03416	1.5
69.13778	3.3
70.06615	0.5
71.35856	0.5
73.04739	1.3
73.76848	0.6
73.80309	0.5
79.05489	1.0
81.03403	0.7
89.06004	1.3
91.05839	1.6
93.07052	0.8
95.08607	0.6
97.02879	0.7
99.26353	0.5
103.05444	0.6
105.07026	1.8
107.04943	0.8
111.04452	1.2
119.04944	2.0
119.08553	0.6
121.02862	31.9
121.06483	1.0
122.03242	0.8
131.08582	0.7
133.06467	2.4
133.08551	0.7
135.04420	0.7
136.06151	1.7
141.96069	0.5
145.02863	3.6
147.04442	3.7
149.06015	1.5
151.03870	1.0
158.12968	0.6
161.05983	1.9
163.03915	1.2
163.11296	0.6
165.01878	0.8
165.05444	1.2
167.05524	1.3
173.06029	0.7
175.40819	0.6
178.04776	0.6
179.07042	0.9
189.05464	5.8
191.03378	1.5
191.07037	0.9
193.05078	0.9
195.13834	0.7
199.04074	0.6
205.05013	0.9
207.06499	11.7
207.08218	1.0
209.04451	1.3
209.89973	0.6
213.05505	0.7
217.04999	1.2
223.05965	9.7
223.07927	0.7
231.06506	1.2
239.07016	1.2
246.76591	0.7
248.04764	0.9
249.07692	0.6
251.06955	0.7
251.10796	0.6
253.08548	0.9
255.06497	1.6
263.07013	1.5
264.07742	1.6
265.08569	1.3
266.09296	1.4
267.06564	4.9
267.09473	0.9
269.08127	2.0
275.09079	0.6
279.10089	6.6
280.10648	0.8
281.08624	1.0
281.11743	2.3
282.08829	1.4
283.05786	0.8
283.09680	1.1
285.07571	1.3
291.06665	1.1
291.10056	1.1
292.07300	1.6
293.08060	4.3
293.11307	1.1
295.13321	0.9
297.07587	2.4
297.11237	4.7
298.08136	0.8
299.05563	0.7
307.09610	25.6
308.07004	0.6
308.10181	2.3
309.07635	4.0
309.10712	0.7
310.07883	0.7
311.09064	1.4
313.07056	5.6
319.05945	4.5
323.09116	16.7
323.12195	0.9
323.34088	0.6
324.09488	1.4
325.10657	6.3
335.09158	8.4
336.06253	5.2
336.09659	1.1
337.07047	5.0
339.12320	1.9
341.10181	7.6
341.13754	1.1
351.08612	100.0
352.08951	7.3
353.10254	1.9
359.02786	2.1
363.08655	2.5
367.11841	6.4
369.09512	4.5
381.09750	4.5
383.11496	0.9
385.12769	8.9
395.11243	42.8
396.11429	3.7
413.12289	21.2
414.12622	1.5
418.67557	0.8
427.13821	4.1
445.14816	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	445.1494
Annotation	Canagliflozin
Peak:m/z	Relative Intensity
53.03939	1.6
55.01874	0.6
55.05499	1.5
55.96821	0.6
59.11622	0.6
65.03937	4.6
67.05501	2.7
68.99786	2.0
69.03425	7.7
69.07077	1.2
69.21931	3.1
71.04986	1.6
79.05480	2.3
81.03408	7.9
81.07061	4.6
83.04989	1.6
83.08589	0.9
85.02893	4.4
85.06528	1.8
87.00820	1.8
91.05464	3.7
93.07027	2.5
95.04960	2.1
95.08607	4.0
97.02892	2.8
97.06533	1.0
99.04465	3.2
105.07024	3.8
106.09238	0.6
107.08594	1.3
109.02866	5.4
109.06513	0.8
109.10172	1.0
111.04430	3.4
115.05424	0.6
117.07074	0.7
119.04952	2.3
119.08604	2.2
121.02861	100.0
121.03897	4.6
121.06472	1.4
121.48013	0.6
122.03183	2.2
123.04385	0.9
127.03906	9.8
131.08557	1.0
133.06523	2.5
133.10162	1.5
135.04416	0.9
135.08032	0.7
139.07603	0.8
140.68436	0.7
140.69524	0.6
145.02844	2.8
145.06458	1.6
147.04442	1.6
147.08101	0.9
149.06004	1.5
151.07552	3.9
156.40741	0.7
159.08038	1.1
161.05977	2.1
161.13229	1.6
163.03920	3.8
163.07538	0.9
165.05447	1.0
166.04962	0.8
169.06346	0.8
171.04327	1.2
173.05994	1.8
175.07518	0.9
177.09097	1.1
179.07094	0.9
179.14328	1.1
187.07657	0.8
189.05461	3.1
191.03355	1.2
191.06998	1.1
193.04982	1.1
199.03871	1.1
205.08572	1.9
207.06508	3.5
213.03853	0.9
217.04985	2.3
219.06502	0.8
231.04741	0.9
231.06728	1.5
233.07967	0.8
238.54779	0.7
239.07060	2.4
249.07579	1.3
251.10675	2.0
252.07840	0.9
253.08603	0.9
254.05836	0.8
255.06578	1.1
264.60336	0.7
265.08755	4.4
266.09390	2.2
267.06488	3.5
267.10071	2.0
268.07339	0.8
269.08139	1.9
271.06204	1.1
271.09482	1.1
273.03793	0.9
275.09116	2.2
278.05673	0.8
279.10126	11.8
281.08691	1.0
281.11618	4.9
282.08890	1.6
283.06198	1.7
283.09628	2.9
287.16293	1.0
290.09363	0.7
292.07379	1.1
293.08032	14.1
293.11124	1.3
297.07501	1.9
297.11191	4.9
298.12027	0.8
299.05621	1.0
299.09256	0.7
303.06583	0.7
305.17487	2.2
307.06223	0.9
307.09598	12.0
308.10080	0.9
309.07538	3.8
309.10925	1.3
311.09134	0.7
311.12497	0.8
313.06921	1.2
317.08344	0.8
319.06128	1.0
323.09225	4.5
323.12610	1.2
323.18356	0.8
325.10837	4.9
335.09198	5.8
336.06024	0.9
337.07043	2.0
339.12289	3.3
341.10068	2.6
341.13788	7.1
349.10947	0.8
351.08606	15.2
352.08978	1.9
353.10126	1.3
363.08774	5.4
367.11795	11.0
369.09290	1.0
369.13492	3.0
377.10165	0.8
381.09586	2.9
383.11090	1.4
385.12747	7.4
395.11243	68.8
396.11517	5.2
409.18521	1.3
413.12259	4.2
427.13959	8.1
427.19275	1.1
445.14880	19.2
445.20499	1.2
446.15158	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	445.2043
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
66.11993	0.1
69.33740	0.7
112.31101	0.1
155.01907	0.2
155.03096	0.4
201.03682	0.7
275.07339	0.3
313.16162	1.0
333.07907	18.1
334.08350	0.6
335.09515	0.9
445.20416	100.0
446.20770	7.5
455.38437	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	445.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
55.89221	0.4
64.30210	0.4
67.05483	0.6
68.99799	0.6
69.03422	1.3
69.07050	0.4
69.20949	2.4
71.04984	0.8
73.04751	0.8
81.03407	0.4
81.07013	0.7
85.88010	0.4
87.04444	0.7
89.06020	1.2
91.05835	1.1
97.02877	0.8
100.58662	0.4
101.75732	0.3
105.07014	1.2
119.04949	1.6
119.08553	0.6
121.02859	10.0
134.63992	0.4
135.04343	0.4
145.02797	0.8
147.04395	1.3
163.03886	1.0
165.05464	1.0
167.03395	0.7
167.05545	1.0
175.85893	0.4
179.81830	0.4
189.05501	0.5
191.03313	0.5
207.06526	0.5
223.11482	0.5
253.08580	0.8
255.06508	0.7
267.06540	4.0
268.07068	0.6
269.08038	0.6
281.08081	0.7
282.08838	0.8
283.09479	0.5
285.07593	1.2
295.06067	0.7
297.07565	2.5
297.11160	3.1
307.09613	0.8
309.07697	1.0
313.07074	1.7
325.10669	0.9
333.07883	13.6
334.08398	0.4
335.09442	0.9
337.06873	0.4
341.10104	0.8
342.99750	0.6
355.08221	0.4
359.02814	1.6
363.08847	0.7
367.11685	0.5
369.09656	10.4
370.09912	0.8
381.09695	1.8
395.11020	0.6
413.12216	2.0
445.20404	100.0
446.20691	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	446.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00211	0.6
53.03945	0.9
55.01867	1.3
57.03463	0.7
60.04509	0.6
61.02893	0.8
65.03922	0.7
68.99781	1.4
69.03422	3.2
70.06587	2.9
71.04987	0.9
71.06107	2.1
71.43022	0.6
73.02911	1.1
73.04747	1.3
79.05495	1.0
81.03415	3.1
83.01335	1.0
83.04993	0.7
84.04515	0.9
85.02392	0.9
85.02892	7.7
87.00818	2.5
87.04466	2.5
88.08733	1.7
89.06017	3.8
91.05775	2.8
92.05721	0.7
95.01328	0.8
95.04996	0.9
96.04494	2.8
97.02898	3.2
99.04434	1.3
100.08724	2.9
101.09527	1.3
103.03972	6.2
103.05460	38.1
104.05794	1.2
105.01862	2.0
105.03368	1.3
108.04469	1.0
109.02863	2.8
110.89217	0.6
112.08705	0.8
119.04947	0.8
123.00810	0.9
126.05479	0.8
127.01514	1.2
127.03909	4.0
130.05000	1.2
131.04918	100.0
132.05249	2.8
133.08583	3.0
133.09709	1.7
134.10031	0.8
136.07507	0.7
137.06000	1.1
141.01855	0.9
145.04951	1.4
147.04399	1.5
147.07634	0.8
151.03902	1.7
152.04248	1.1
153.01814	2.3
159.02863	1.3
163.07526	45.4
164.07950	1.2
165.01825	0.6
165.05450	1.9
167.05565	1.0
169.01363	1.1
174.05550	0.7
175.03969	0.9
175.07521	0.8
177.11151	1.1
181.01300	1.5
185.00754	0.9
185.03362	0.6
199.02409	1.7
215.94583	0.7
231.05026	1.0
235.11679	0.6
252.13382	1.2
253.04948	0.8
270.04874	0.6
271.05978	30.5
273.07425	0.7
279.09991	0.7
280.13071	1.0
282.05307	0.8
283.05963	1.1
284.06839	1.0
297.07779	1.1
298.14023	1.3
301.07022	0.9
324.11578	0.8
327.08527	2.3
342.12994	5.7
359.02756	1.1
360.02780	1.9
402.20273	3.4
428.18021	0.7
429.11841	0.7
446.18958	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	446.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03432	1.0
60.05626	0.5
61.02922	1.0
65.03934	0.3
68.99774	0.3
69.03424	1.8
70.06584	0.2
71.01347	0.6
72.05624	0.3
73.02917	7.9
73.04775	0.2
81.03410	0.3
85.02905	3.4
87.03443	0.2
87.04482	0.2
91.05473	5.0
91.83631	0.2
94.92812	0.2
95.04929	0.3
97.02892	2.8
103.05443	0.2
105.07010	0.2
107.04879	0.2
109.02853	0.3
115.04000	1.6
115.05451	12.6
117.07014	100.0
118.07345	2.6
127.03911	0.9
127.27986	0.2
129.07016	0.3
131.04916	0.6
133.04948	1.2
139.00175	0.2
144.06587	0.5
145.04942	0.8
147.04413	0.2
150.07593	0.5
159.08105	0.2
163.06177	0.3
165.06657	0.3
183.08008	0.2
185.00902	0.4
187.03958	0.2
191.03372	1.1
207.02989	0.2
209.04466	0.6
213.09137	0.3
219.02895	0.4
233.05319	0.3
250.08142	0.2
253.08429	0.3
271.06030	3.5
281.08121	0.6
308.99997	0.2
309.07468	1.4
337.07071	0.6
351.09683	0.2
369.09729	0.6
441.57660	0.2
446.09512	0.2
446.15512	4.9
447.15833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91007	1.0
56.97956	1.1
57.02063	1.1
59.05001	100.0
60.05325	1.4
62.35075	1.0
68.99791	1.6
70.06607	1.2
73.04742	2.5
73.06570	1.4
75.05596	1.2
81.03439	2.1
83.01346	1.9
83.04972	1.2
84.04498	1.3
86.09737	2.6
87.04465	8.5
87.47246	0.9
89.06030	76.6
91.05807	3.1
97.02892	2.0
103.07578	89.8
104.07896	1.7
107.07098	1.9
109.02876	2.5
119.04978	1.5
121.02909	2.4
123.04379	1.3
127.03887	1.3
131.07063	1.1
133.08600	45.7
134.08928	1.3
147.04416	3.5
147.10152	32.7
151.03952	1.9
151.81833	1.2
163.03889	2.1
167.05554	2.2
169.01294	1.4
177.11234	16.6
178.11588	1.3
179.03418	3.3
181.01340	6.4
191.12813	2.5
193.01305	2.4
199.02325	5.0
202.87941	1.3
207.02956	3.3
221.13850	2.3
223.02402	1.6
228.13864	1.6
234.01585	1.2
235.02374	8.3
239.14694	1.3
246.14964	5.9
246.65054	1.8
247.02364	4.5
263.01895	1.8
265.03494	5.2
265.16592	2.0
271.05975	2.0
291.01401	2.2
301.07074	5.9
313.07025	1.5
327.03464	3.0
354.07428	1.1
355.08133	3.0
360.02966	2.1
367.08087	2.7
374.81439	1.0
413.33661	1.2
429.08105	2.3
429.26950	12.7
446.16205	1.1
446.29648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.23197	0.9
65.03923	3.6
67.05494	6.7
67.73025	0.9
68.23914	0.9
69.07065	1.5
69.15108	6.4
79.05482	3.4
80.43454	0.9
81.07049	7.0
91.05454	3.5
93.07030	6.2
95.04958	100.0
95.08594	5.1
96.05282	1.3
105.06991	6.2
107.08591	4.6
109.06519	5.4
109.10143	3.3
117.06959	1.0
119.08565	4.1
121.06533	1.4
121.10138	3.0
129.07083	1.0
130.21695	1.0
131.08557	3.3
133.10156	5.3
135.08043	1.8
143.08546	1.9
145.10101	4.0
147.11676	2.1
157.10121	1.4
159.11671	3.4
161.09427	1.1
161.13179	1.0
171.11635	0.9
173.13246	2.6
185.13293	1.0
196.05769	1.0
201.16380	1.9
207.25531	0.9
227.17667	1.1
255.21092	1.2
329.89435	1.0
333.25610	1.1
338.96042	0.9
351.26804	2.0
377.58896	1.0
451.22534	1.0
474.19922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75975	0.1
65.03926	0.1
67.01865	0.2
68.99813	0.2
73.02921	0.1
83.01334	0.2
85.02898	0.2
88.66936	0.1
91.05476	2.9
119.04943	1.4
121.02854	0.6
136.36043	0.1
145.02821	0.1
153.01823	25.4
154.02145	0.4
163.03941	0.1
169.01360	0.2
169.06454	0.1
171.02931	0.2
171.04401	0.2
179.03371	0.2
181.01314	0.2
189.61859	0.1
193.01314	0.4
199.02347	0.2
199.07532	0.1
207.02864	0.2
216.66226	0.1
225.05461	0.1
229.05077	0.1
235.02411	0.7
235.31847	0.1
243.06451	0.5
247.02397	0.2
253.04948	0.2
255.06497	0.2
265.03470	0.1
270.05283	0.2
271.05994	100.0
272.06332	4.1
283.06030	0.5
285.07562	0.4
301.07004	0.2
313.07056	0.1
327.03525	0.3
349.07071	0.3
355.08142	0.2
359.17206	0.1
429.08350	0.1
447.09174	2.3
464.97781	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	447.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.1
57.03414	0.0
68.99487	0.1
68.99816	0.2
70.26350	0.1
70.26655	0.1
71.01341	0.2
73.02902	0.2
74.85342	0.1
75.04469	0.1
77.03908	0.1
83.01344	0.1
85.02905	0.6
91.05462	0.1
95.01318	0.7
95.04958	0.1
103.05455	2.1
105.03385	0.8
109.03934	0.1
110.04758	0.1
111.05553	0.1
113.02345	0.2
115.05473	0.1
123.00778	6.2
124.01145	0.1
129.03342	0.1
131.03401	0.1
131.04898	0.1
141.01808	0.6
141.06947	0.3
145.02818	0.1
151.00224	0.3
153.01822	0.1
159.02812	0.1
168.00511	0.1
169.01308	1.7
169.06416	0.1
177.05457	0.2
179.04893	0.1
185.00893	0.1
197.06000	0.3
207.04297	0.2
225.05424	1.0
229.04869	0.4
241.04936	0.1
253.04944	3.1
254.05475	0.1
257.04684	0.1
270.05209	0.5
271.05969	100.0
272.06308	4.4
285.07471	0.3
301.07190	0.1
447.09256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0918
Annotation	Baicalin
Peak:m/z	Relative Intensity
68.99787	0.2
69.46498	0.4
69.46766	0.1
71.01342	0.1
73.02903	0.3
75.77719	0.1
85.02906	0.5
95.01306	0.7
103.05460	2.0
105.03368	0.7
112.42347	0.1
113.02345	0.3
123.00775	6.7
124.01091	0.1
129.03363	0.1
135.43893	0.1
141.01839	0.6
141.06961	0.3
151.00208	0.3
151.14935	0.1
151.87141	0.1
157.37640	0.1
169.01314	1.6
169.06438	0.2
179.04915	0.2
191.35826	0.1
197.05859	0.2
207.04498	0.2
225.05400	1.0
229.04935	0.3
253.04932	2.9
270.05170	0.1
271.05969	100.0
272.06299	4.2
328.03699	0.1
342.22736	0.1
447.09146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11070	0.2
60.95680	0.1
64.54709	0.1
68.99795	0.2
70.26505	0.2
70.26862	0.2
73.02928	0.2
85.02889	0.4
95.01335	0.5
98.22842	0.2
103.05473	1.7
105.03364	0.8
105.20970	0.1
113.02365	0.2
114.37508	0.1
123.00790	6.1
133.75754	0.1
141.01839	0.6
141.06972	0.2
151.00244	0.3
169.01350	1.7
197.06004	0.2
225.05450	0.9
229.04843	0.3
244.73212	0.1
253.04948	2.5
271.05997	100.0
272.03400	0.2
272.06320	3.6
273.81812	0.2
447.09225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99781	0.4
69.96967	0.2
69.97279	0.3
71.01341	0.2
77.03923	0.2
85.02892	0.2
95.01294	0.2
95.04971	0.2
98.23438	0.2
102.99279	0.1
103.05468	1.8
105.03379	1.4
112.77629	0.1
113.02340	0.1
123.00795	1.1
129.03355	0.5
141.01837	0.2
141.06953	0.4
151.00264	0.2
169.01320	3.4
172.43849	0.2
173.05939	0.2
187.02316	0.2
197.05960	0.3
215.07030	0.2
225.05476	0.6
229.05006	0.2
253.05028	0.3
263.85605	0.2
270.05157	0.2
271.05984	100.0
272.06323	5.3
302.22958	0.2
447.09094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0922
Annotation	Baicalin
Peak:m/z	Relative Intensity
53.31643	0.3
59.74123	0.3
61.85828	0.3
68.99774	0.4
85.02881	0.4
87.74951	0.3
100.74301	0.3
103.05463	1.7
105.03391	1.4
123.00773	1.3
129.03394	0.5
155.51852	0.3
165.96220	0.3
169.01303	3.5
201.05510	0.3
201.82364	0.3
214.48489	0.3
215.06995	0.3
225.05394	0.7
253.04961	0.7
270.05212	0.4
271.05988	100.0
272.03647	0.5
272.06332	4.4
324.66714	0.3
447.09232	6.9
448.09418	0.7
459.88367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
68.99802	0.3
69.03403	0.5
69.63770	0.4
69.64159	0.6
71.01348	1.1
73.02913	1.8
85.02898	3.8
91.05460	0.4
95.01315	1.1
97.02889	0.4
99.00774	0.3
101.02384	0.5
103.03960	0.2
103.05460	1.4
105.03415	0.8
113.02351	1.5
123.00775	5.2
131.03389	0.9
141.01822	1.0
151.00252	0.3
159.02879	0.4
167.03384	4.0
169.01292	1.4
225.05501	1.0
229.04803	0.4
238.46269	0.2
242.05756	0.9
253.04980	2.5
270.05157	0.9
271.05975	100.0
272.06314	4.1
285.07544	16.0
286.07916	0.7
356.57892	0.2
447.09058	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
55.01878	4.6
57.03424	1.6
61.02927	2.3
62.62156	1.2
65.03934	3.9
67.01875	1.9
67.05502	5.9
68.99765	9.7
69.03431	3.3
71.01340	1.2
71.04997	3.0
71.38614	1.2
73.02924	1.3
73.04774	1.2
77.03931	2.0
79.01865	1.9
79.05484	3.7
81.03409	6.6
81.07060	2.8
83.01337	21.9
83.04984	2.6
84.04513	1.4
84.99268	1.3
85.02914	6.8
86.09725	6.9
87.04472	4.4
89.03906	1.2
91.05473	3.7
93.03407	5.3
93.07063	1.6
93.60645	1.1
95.01321	1.3
95.04973	15.3
97.02898	5.3
99.00835	2.3
105.03409	7.0
107.01326	3.1
107.04954	9.7
107.08630	1.5
109.02872	7.0
111.04453	4.8
117.03400	1.3
119.01280	1.1
119.04935	8.5
119.08611	1.1
120.08112	1.6
121.02856	25.9
121.06494	13.6
122.03592	1.6
123.04411	12.2
127.03895	2.0
129.05458	1.7
133.02852	10.7
135.04419	3.8
137.02354	4.7
139.03954	1.9
145.02882	2.1
147.00737	5.4
147.04390	19.8
147.06638	1.0
149.02327	7.0
151.03897	13.2
153.01834	6.3
155.03389	1.1
161.00385	1.2
161.02322	6.3
163.02676	1.2
163.03900	6.9
165.01839	10.0
169.01347	14.0
173.02176	4.3
175.00235	1.6
177.01855	5.1
178.02637	3.1
179.03383	20.0
181.01302	73.2
183.02885	2.9
189.01848	6.1
191.03400	9.4
193.01314	35.7
193.03029	2.1
195.02898	4.0
197.00792	3.1
199.00111	5.4
199.02361	81.7
200.02895	1.8
202.99783	1.5
205.01334	2.6
206.02190	2.7
207.02864	33.5
208.03355	1.3
209.04526	2.2
211.02399	4.9
212.14427	1.2
217.01338	10.4
219.02844	16.4
221.00874	5.1
223.02422	6.6
225.03992	5.1
225.09109	1.9
234.01581	11.8
235.02354	100.0
236.02991	7.7
237.03915	4.6
239.01700	1.5
239.07036	1.2
242.15005	1.3
245.00774	9.6
247.02357	74.6
248.02884	1.9
252.02655	14.1
253.03339	2.4
253.08571	2.6
254.09387	1.5
263.01862	16.1
265.03427	66.4
270.05121	2.1
271.05856	5.7
273.00323	7.7
273.03720	2.0
277.04669	3.3
281.02847	7.0
283.04150	1.3
285.04285	2.2
285.07599	3.7
285.11224	7.2
287.05530	4.1
289.07150	2.2
291.01334	18.7
299.05515	2.9
301.07050	87.5
302.07391	4.7
309.02368	18.7
313.07040	27.5
325.07040	1.7
327.03409	31.2
354.07278	19.8
355.08093	44.6
355.12491	2.3
356.08765	2.9
367.08112	21.8
383.07632	2.6
385.09061	10.7
387.04532	3.5
393.05981	3.9
410.78302	1.4
411.07089	8.0
429.08118	31.1
433.56427	1.4
447.09030	3.5
447.17996	1.7
447.29330	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	447.0921
Annotation	Baicalin
Peak:m/z	Relative Intensity
57.02200	0.1
67.01849	0.3
68.99796	0.3
74.90228	0.1
91.05450	0.4
96.12590	0.1
119.04932	1.6
121.02864	0.6
129.01822	0.1
145.02859	0.4
153.01817	3.8
163.03868	0.3
171.02850	0.3
187.03882	0.2
203.06999	0.2
206.41992	0.1
225.05368	0.3
243.06506	0.2
247.05936	0.1
271.05978	100.0
272.06299	4.1
286.94525	0.1
310.77603	0.1
447.09207	1.9
448.09366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0923
Annotation	Baicalin
Peak:m/z	Relative Intensity
51.41271	0.1
53.22572	0.1
55.01876	0.1
66.49946	0.1
67.01862	0.3
68.99785	0.3
69.03424	0.2
69.71037	0.4
71.01321	0.1
73.02923	0.1
73.37989	0.1
81.35965	0.1
85.02905	0.4
90.42069	0.1
91.05472	3.1
103.05463	1.0
104.05808	0.3
105.07001	0.3
106.99309	0.1
113.02356	0.2
118.57372	0.1
119.04936	1.2
121.02876	0.4
123.00782	0.3
128.07066	0.1
131.04907	1.3
132.05255	0.7
139.00356	0.1
141.01839	0.2
145.02864	0.1
147.04445	0.1
151.03876	0.2
153.01820	25.1
154.02151	0.5
157.01303	0.2
163.07532	0.3
164.07927	0.3
169.01315	0.2
193.06853	0.1
225.05508	0.1
229.04945	0.2
243.06468	0.4
250.02888	0.1
253.05028	0.2
270.05234	4.4
271.05991	100.0
272.06326	4.3
285.07544	9.8
286.07840	0.3
301.07184	0.1
447.08847	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	447.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
55.05492	0.1
57.03418	0.2
64.97533	0.1
67.05503	0.2
68.99802	0.2
69.03407	0.2
69.07079	0.1
69.74711	0.4
73.02907	0.2
76.95798	0.1
79.05469	0.3
81.07044	0.4
83.04976	0.1
85.02895	0.5
86.09679	0.2
87.04462	0.2
91.05460	0.4
93.07036	0.3
95.01324	0.7
95.04953	0.2
103.05461	1.7
104.05865	0.1
105.03386	0.8
105.07030	0.3
107.08543	0.1
113.00056	0.1
113.02361	0.2
115.05399	0.1
121.02858	0.5
123.00776	5.0
129.06992	0.2
131.08574	0.2
133.10104	0.3
137.02385	0.7
141.01823	0.8
141.06940	0.1
145.72772	0.1
147.04341	0.2
147.11685	0.2
149.02361	0.1
151.00200	0.2
159.02681	0.1
163.03911	0.2
165.01755	0.1
169.01328	1.5
181.10115	0.1
184.04077	0.1
187.07652	0.1
193.12091	0.1
196.85843	0.1
197.05922	0.3
207.04437	0.2
208.61713	0.1
219.06627	0.1
225.05473	1.0
229.04898	0.3
253.04921	3.2
255.06522	0.2
256.06900	0.2
267.15927	0.9
269.08197	0.1
270.04993	0.1
271.05972	100.0
272.06314	4.4
272.08618	0.1
273.03653	0.1
299.05273	0.1
299.08475	0.2
313.06976	0.4
314.07376	0.4
324.15289	0.1
355.86496	0.1
401.12552	0.2
415.12741	0.2
429.11786	0.7
447.09094	0.5
447.19864	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	447.0922
Annotation	Apigenin 7-galacturonide
Peak:m/z	Relative Intensity
53.52209	1.2
53.60483	1.1
55.01867	5.1
57.03438	1.4
57.18361	1.0
57.99035	1.2
61.02916	2.1
65.03938	2.8
67.01860	1.8
67.05495	4.1
68.99782	7.9
69.03405	2.4
69.97437	2.6
69.97769	1.6
71.01373	1.4
71.04977	2.9
73.02893	2.5
73.04739	1.3
79.01870	1.8
79.05502	3.4
81.03420	4.6
82.72880	1.1
83.01334	17.8
83.04971	3.6
85.02912	5.9
86.09721	7.3
87.04472	5.7
91.05470	4.0
93.03408	2.5
93.07023	1.2
95.01353	1.5
95.04970	12.9
97.02879	4.3
98.22645	1.3
99.00834	2.3
99.04442	1.9
103.03933	1.7
105.03382	5.1
107.01299	2.7
107.04972	7.8
109.02875	5.5
111.04436	3.5
111.77495	1.3
119.01332	1.2
119.04923	5.4
120.08130	1.7
121.02865	23.9
121.06512	10.5
123.04398	10.4
123.29556	1.4
127.03908	4.0
129.05495	1.9
129.38353	1.2
133.02843	5.8
135.04402	3.6
137.02296	2.7
147.00748	3.3
147.04417	20.9
147.06409	1.5
149.02347	5.1
151.03914	10.3
153.01802	4.8
161.02327	6.0
163.03917	5.6
165.01811	6.6
165.07018	2.4
167.03365	1.9
169.01294	14.3
173.02168	5.1
177.01830	3.7
178.02708	1.6
179.03397	19.3
181.01300	58.1
182.01686	1.8
183.02861	1.9
189.01810	6.0
191.03412	7.2
193.01328	35.4
195.02977	2.9
197.00827	1.3
199.00069	5.9
199.02367	72.3
200.02660	1.7
202.99754	2.9
205.01274	2.5
206.02058	3.7
207.02890	31.6
209.00923	1.4
209.04385	2.4
211.02362	4.2
217.01314	7.7
218.01999	1.7
219.02884	16.5
221.00740	2.3
223.02386	5.5
225.03845	6.0
234.01610	10.9
235.02361	100.0
236.03076	7.7
237.03943	2.9
239.01823	2.2
239.07076	1.6
245.00760	8.8
247.02370	66.8
248.02600	1.5
252.02647	12.4
253.03313	3.6
253.08601	2.6
263.01886	16.7
265.03433	69.8
266.03659	2.4
270.08707	1.3
271.05890	5.9
273.00281	6.8
277.04648	2.3
281.02844	5.2
285.07516	4.1
285.11151	6.8
287.05457	4.1
289.07086	2.4
291.01352	17.5
299.05472	2.1
301.07056	87.8
302.07394	3.2
309.02396	17.4
313.07040	25.3
327.03442	28.6
354.07349	18.0
355.08109	48.3
356.08447	2.3
361.02454	1.5
367.08093	22.2
383.07477	2.0
385.09174	11.2
387.04556	2.2
393.05835	3.7
396.80920	1.4
411.07159	9.5
424.59106	1.3
429.08142	26.7
430.08658	1.6
447.09198	3.8
447.29169	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	447.0925
Annotation	Baicalin
Peak:m/z	Relative Intensity
57.03427	1.0
67.05494	3.1
70.06548	0.9
70.61026	1.2
70.61367	1.1
79.05471	1.7
81.07045	3.8
86.24435	0.8
90.56532	0.7
91.05460	1.1
93.07040	1.9
95.08595	2.4
103.05446	1.1
105.03345	0.8
105.06985	1.4
107.08563	2.3
109.10153	1.8
113.00011	7.8
117.07042	0.8
119.08568	1.8
123.00771	4.3
131.08545	0.8
135.11688	0.8
160.06645	0.8
164.28873	0.7
169.01295	1.2
169.02614	1.6
217.27980	0.9
242.50436	0.8
243.21031	0.9
251.38179	0.7
253.04881	2.1
261.22189	1.0
271.05984	100.0
272.06296	3.1
301.69531	0.8
335.21939	1.2
335.25665	6.2
338.82404	0.7
447.09329	2.0
447.26553	0.9
448.31708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47690	0.6
55.01863	0.8
55.05507	1.3
57.03428	2.0
67.05490	2.2
68.99787	1.3
69.03414	1.9
69.07067	1.4
70.06590	1.9
71.04978	1.0
72.08149	1.9
73.04762	1.2
79.05489	2.7
81.03419	9.1
81.07065	2.8
83.08632	1.9
84.04513	0.8
84.08147	1.8
85.02901	2.8
86.09698	10.7
87.04457	1.5
89.06022	3.1
91.05414	2.0
91.05872	1.6
93.07054	1.7
95.04961	4.5
95.08607	0.9
97.02884	1.6
97.74413	0.6
101.78260	0.6
103.03955	3.7
105.07042	2.2
109.02877	1.4
109.06477	1.1
110.95554	0.6
111.04424	0.9
111.08089	0.9
112.99998	1.6
117.07024	1.2
119.04967	0.9
119.08555	1.6
120.08093	0.9
121.02866	4.9
121.10155	1.7
123.04463	1.2
123.08074	1.2
124.03967	0.7
127.01561	100.0
127.07577	0.7
129.07033	0.9
129.10216	0.9
131.06967	0.7
131.08534	1.6
132.08072	1.0
133.06538	0.6
133.08633	1.4
133.10135	0.7
135.04422	3.1
137.02341	5.7
137.05997	1.1
145.02834	1.4
147.04401	1.4
147.11713	1.0
149.02365	2.2
149.05998	0.9
151.03967	0.9
157.10155	1.4
161.02339	0.8
161.05881	0.7
163.03903	9.7
167.05527	1.0
175.11111	1.3
181.04918	1.0
183.06593	0.7
193.12233	6.5
199.07289	9.7
201.05429	1.0
201.12305	3.8
205.04985	1.0
211.13225	1.1
217.05099	0.7
219.06580	1.6
219.13379	1.1
229.05008	1.0
229.11818	2.0
233.08156	0.9
249.14836	1.3
267.15787	3.7
283.05966	1.0
285.17010	2.5
297.09711	1.1
309.16940	0.8
317.02878	0.7
320.42218	0.7
325.10458	0.8
353.10211	1.0
361.02786	1.6
362.34738	1.0
397.09192	1.7
403.15607	1.6
429.11649	2.5
447.18661	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	447.1263
Annotation	Apigenin 7-(6''-methylgalacturonide)
Peak:m/z	Relative Intensity
60.04517	0.3
64.14597	0.3
66.50911	0.2
67.01860	0.4
68.99812	0.4
69.03408	0.4
69.07032	0.3
70.06577	0.4
71.28056	0.3
71.40451	0.4
72.08151	3.1
73.04745	0.8
73.60202	0.3
74.06050	0.7
81.03408	0.6
84.04504	0.8
84.08167	0.5
85.02901	1.1
86.09705	5.9
87.00841	0.3
91.05836	2.0
95.04949	1.4
96.12112	0.3
97.02889	0.8
109.02859	0.4
119.04934	2.0
121.02825	0.7
123.04434	1.8
127.03889	1.0
129.10234	1.1
130.05009	0.4
145.02843	0.6
148.06070	0.4
149.02348	0.9
153.01817	4.4
155.06998	0.8
157.13354	0.8
159.02747	0.3
159.11230	0.4
163.03856	0.5
164.07941	0.3
167.05539	0.9
171.02895	0.5
173.12840	0.8
181.05020	0.3
183.06529	3.5
183.11333	0.3
185.12822	0.4
187.10739	0.4
201.12273	0.4
241.07436	0.6
242.14987	0.5
259.11829	0.5
261.14368	0.5
271.05991	100.0
272.06329	4.7
313.22607	0.4
359.02728	0.5
361.02551	1.3
362.03006	0.4
390.95746	0.3
392.48669	0.4
403.13651	3.4
429.12292	0.5
447.13297	20.1
448.12784	1.2
448.19061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1287
Annotation	5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.74693	0.2
59.04940	0.3
68.99754	0.5
74.79218	0.3
82.31792	0.2
84.04414	1.2
85.02828	0.5
95.01286	0.5
95.04862	0.4
96.04411	0.3
103.05386	0.6
105.03305	0.7
107.04934	0.3
109.02791	0.3
111.05492	0.3
112.03925	0.5
121.02831	0.4
123.04338	0.3
124.03879	0.3
129.51503	0.3
131.04861	0.6
136.01164	0.2
139.00179	0.3
140.03313	0.4
144.06555	5.1
147.04364	0.5
153.01781	0.5
163.03725	0.3
164.03357	0.7
168.00468	0.5
168.02922	2.8
168.05624	0.6
169.01332	1.6
169.06433	0.3
171.04332	0.9
179.04854	1.0
181.01198	1.1
182.04416	0.4
185.00717	0.3
186.01549	0.4
193.01277	1.6
199.02313	0.8
206.04413	0.6
207.02864	0.7
210.03845	0.3
224.04683	0.3
234.03970	2.3
235.02383	2.7
241.04938	0.8
242.05634	0.9
247.02390	0.6
252.04160	0.8
253.04962	0.5
255.06458	0.6
262.03369	0.8
265.03485	0.5
269.04370	1.1
270.05209	69.8
271.05942	16.7
271.10291	0.4
272.06384	1.0
273.07498	0.3
283.06006	2.0
284.03113	0.5
285.07559	100.0
286.07898	4.9
294.06052	2.2
301.07056	0.8
304.08206	0.8
309.02301	0.5
313.07089	0.5
327.03546	1.0
336.06207	0.3
349.07031	0.7
354.07474	0.3
355.08508	0.3
370.09122	0.4
411.07050	0.4
412.10327	0.9
429.07794	0.5
429.13184	0.6
430.11523	1.1
447.08694	0.4
447.14230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Glycitin
Peak:m/z	Relative Intensity
57.03429	0.3
68.99804	0.5
69.03419	0.3
71.01363	0.4
73.86409	0.2
76.31423	0.2
83.01361	0.7
85.02886	1.2
91.05463	0.5
95.01361	0.5
95.04972	0.3
95.26236	0.2
97.02888	0.5
103.05455	1.5
105.03374	0.5
105.07021	0.7
109.02857	0.4
113.02354	0.6
119.04942	0.5
121.02834	0.5
121.06509	0.4
123.00793	0.3
131.04913	3.0
132.05301	0.7
139.00250	0.3
141.01855	0.8
147.04341	0.3
149.02292	0.3
151.03960	0.6
153.01817	5.1
157.01341	0.7
163.07565	0.2
164.07867	0.3
168.00536	0.4
168.05684	0.3
169.01335	0.8
179.03488	0.3
179.05002	0.8
181.01291	1.5
183.04558	0.3
193.01390	0.5
199.02333	0.7
207.02931	0.7
224.04643	0.3
225.05571	0.5
235.02370	1.1
241.05048	0.4
242.05763	0.6
243.06494	0.8
246.78477	0.2
247.02325	0.6
253.05141	0.3
265.03400	0.7
269.04440	0.9
270.05212	46.2
271.05960	24.9
272.06299	1.0
284.03043	0.3
285.07547	100.0
286.07898	4.9
299.05261	0.4
301.07074	1.0
313.07098	0.4
315.03479	0.4
327.03506	0.6
343.03067	0.7
354.07440	0.3
354.45547	0.2
355.07941	0.4
401.08511	0.3
413.06003	0.3
418.75256	0.2
447.13327	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	447.128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04943	0.4
67.05458	0.3
68.99758	0.6
69.47520	1.4
84.04491	1.7
95.01266	0.5
98.23479	0.6
103.05423	0.7
105.03316	1.0
105.06977	0.4
111.29166	0.4
112.03902	0.6
119.04866	0.4
127.78834	0.3
131.04854	0.7
144.06581	4.0
147.07533	0.3
153.01834	0.3
163.03806	0.3
164.03375	0.6
168.00517	0.5
168.02896	2.6
168.05679	0.7
169.01247	0.8
169.06422	0.4
171.04320	1.1
179.04826	1.0
181.01195	0.5
187.03825	0.5
193.01244	1.2
199.02275	0.5
206.04478	0.4
207.02834	0.6
213.05432	0.5
224.04572	0.4
224.98906	0.3
234.03824	1.6
235.02335	2.1
241.04907	0.7
242.05792	1.3
247.02411	0.9
248.93831	0.3
252.04297	0.4
253.05116	0.5
255.06543	0.6
265.03442	0.6
267.21204	0.3
269.04504	1.0
270.05203	80.7
271.05896	14.2
272.06433	0.5
283.06000	0.9
284.03003	0.7
285.07550	100.0
286.07855	5.0
294.06015	1.9
301.07144	0.5
304.08307	1.0
327.03619	0.8
340.89063	0.3
349.07062	0.6
355.07843	0.5
412.10526	0.5
430.11301	1.2
447.14410	0.4
472.23175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Glycitin
Peak:m/z	Relative Intensity
54.14703	0.2
68.99812	0.3
69.06606	0.7
69.07029	1.3
70.31062	0.3
85.02924	0.4
91.05457	0.5
95.35917	0.3
96.50521	0.3
98.23521	0.5
103.05451	0.5
105.03411	0.6
123.00801	1.5
129.39790	0.3
131.04921	0.5
153.01804	2.2
167.03427	0.7
167.33766	0.3
168.00551	0.6
168.05722	0.8
169.01314	0.6
171.04433	0.4
179.04890	0.9
197.05992	0.5
224.04596	0.5
241.04753	0.4
242.05783	1.5
248.86256	0.2
253.04977	0.6
269.04434	0.5
270.05206	67.0
271.05963	39.1
272.06345	1.8
284.03094	0.3
285.07544	100.0
286.07892	4.6
377.26770	0.3
401.13507	0.3
447.09494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1285
Annotation	Apigenin 7-(6''-methylgalacturonide)
Peak:m/z	Relative Intensity
52.93933	0.4
56.19730	0.4
57.28453	0.3
65.94181	0.4
66.83302	0.4
69.03407	0.6
70.07365	1.3
85.02898	2.1
94.27796	0.4
97.02892	0.4
103.05469	1.6
105.03378	1.5
123.00803	3.9
131.04909	0.5
141.01778	0.8
141.07007	0.6
142.06654	0.3
169.01315	2.6
179.04922	0.8
191.43567	0.4
194.92595	0.5
197.06062	0.4
225.05505	1.1
230.12146	0.4
240.16426	0.4
253.04916	1.6
270.05206	22.9
271.05988	100.0
272.06366	5.3
285.07559	32.4
285.10852	0.9
286.07889	1.8
311.28845	0.4
328.25296	0.4
367.05698	1.4
447.09164	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1285
Annotation	Glycitin
Peak:m/z	Relative Intensity
59.68139	0.2
66.99162	0.2
69.52264	0.4
69.52670	0.5
71.41740	0.2
92.04127	0.2
98.22728	0.4
103.05450	0.8
105.03383	0.6
119.12769	0.2
123.00757	0.8
131.04903	0.3
140.01056	0.3
140.06181	0.2
168.00500	0.6
168.05646	0.6
171.04414	0.2
179.04861	0.8
186.01599	0.2
197.06081	0.2
224.04655	0.3
225.05292	0.2
241.04991	0.6
242.05687	1.2
252.04160	0.5
253.05008	0.4
269.04501	1.0
270.05200	65.9
271.05942	23.7
272.06274	1.1
284.03070	0.5
285.07544	100.0
286.07883	5.2
447.09125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1286
Annotation	4'-O-Methylgenistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.03950	0.8
55.01867	1.4
55.05515	1.5
57.03448	0.8
65.03925	3.1
67.05159	1.1
67.05505	16.0
68.99789	5.0
69.03400	1.4
69.07060	2.7
69.52874	2.5
69.53270	1.0
71.04995	5.1
71.71634	0.6
73.02911	1.2
77.03908	0.7
79.01833	0.8
79.05486	2.6
80.42702	0.6
81.03402	2.1
81.07053	4.0
83.01308	1.1
85.02907	1.6
87.04444	1.8
89.06038	1.4
91.05444	4.1
92.99812	0.7
93.07048	4.2
93.99825	0.5
95.04957	2.6
95.08598	1.5
97.02883	1.0
97.06550	0.8
99.08090	10.0
102.27908	0.5
105.03388	6.2
105.04484	0.8
105.07015	4.6
107.01318	2.7
107.04932	1.4
107.08600	1.2
109.02891	1.7
111.04376	0.8
113.00021	1.5
114.03780	2.2
115.05434	2.1
117.07018	3.5
119.04929	1.1
119.08595	2.1
121.02852	10.6
121.04692	0.7
121.06513	2.3
123.04433	1.2
127.01559	4.1
127.03905	1.2
128.06215	1.0
129.07010	1.4
131.04956	0.8
133.02846	1.2
133.06483	0.8
133.10201	0.6
134.03630	1.0
135.00754	2.3
135.04401	4.6
137.02341	35.4
137.03433	2.6
137.05901	0.8
138.02612	1.0
139.01550	4.4
143.04909	1.1
145.06465	4.1
147.04416	2.3
147.08029	1.1
147.11676	2.8
149.02289	4.6
149.06006	1.0
151.03897	8.1
153.01837	2.9
153.03117	2.7
159.88646	0.6
161.02342	8.4
163.03897	1.9
163.07478	0.7
165.01781	0.7
165.05524	1.0
165.06958	1.3
167.03403	3.6
169.01311	1.4
169.06491	0.8
173.02252	0.7
173.05991	5.1
175.03845	1.4
175.07544	2.5
177.05296	0.9
179.03374	4.1
183.04263	1.3
185.05980	1.2
189.05496	1.2
191.06982	3.6
193.08606	0.7
195.04469	1.1
197.05936	2.4
199.07532	12.1
199.14761	1.0
201.05482	4.9
203.03398	1.2
207.02919	0.7
209.08003	0.7
213.05437	2.2
217.04935	1.3
219.06555	1.9
227.67455	0.6
236.08192	0.8
239.07074	2.5
241.04848	1.0
243.06525	1.4
253.08719	0.9
255.06480	5.2
257.04523	1.2
267.06473	5.6
267.15994	0.8
268.07324	1.6
269.04413	8.6
269.07526	1.1
270.05035	1.4
271.05991	10.2
273.03931	1.4
276.07849	1.0
279.06549	1.3
279.09973	0.8
281.04385	1.9
281.07932	1.3
283.05984	10.0
284.06470	1.1
285.04117	1.2
285.07565	3.2
286.04742	7.1
287.05499	2.1
289.03363	5.4
289.08420	0.8
291.10083	0.7
292.07355	3.5
293.08054	29.3
294.08624	2.5
295.06027	1.9
297.07559	1.7
297.11176	1.8
301.03595	1.5
301.06979	12.4
305.08029	1.5
307.09552	6.7
308.10095	0.7
309.11160	47.8
310.11710	3.5
311.05609	0.7
311.09171	0.8
313.03467	1.6
319.05984	1.2
323.05493	1.1
323.09140	1.7
325.10629	5.1
327.04987	1.3
327.11972	0.8
329.06409	1.1
333.07498	1.0
335.09070	8.9
337.07016	1.4
341.10345	1.0
351.08591	2.9
353.06561	0.9
353.10187	5.8
369.09698	2.7
383.11261	1.1
385.08868	1.5
385.13187	0.8
397.09186	1.8
401.12259	2.0
403.14035	1.2
411.10629	1.3
415.10184	67.2
416.10553	5.6
419.13123	1.4
429.11774	100.0
430.12131	7.9
447.07294	1.0
447.12946	4.1
447.20068	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	447.1282
Annotation	Apigenin 7-(6''-methylgalacturonide)
Peak:m/z	Relative Intensity
55.60382	0.3
57.03396	0.4
62.15755	0.3
63.18929	0.3
71.01320	0.7
73.02873	1.0
76.37562	0.2
85.02901	2.4
89.46157	0.3
89.46938	0.2
93.74757	0.2
95.01279	0.8
97.02906	0.3
103.05470	1.7
103.46819	0.2
105.03352	1.0
113.02322	0.9
118.04509	0.3
123.00779	4.8
125.01512	0.3
131.03401	0.3
140.01056	0.4
141.01781	1.1
141.06918	0.4
151.00267	0.3
159.02844	0.3
167.03378	1.9
168.00493	2.6
169.01349	1.7
171.46400	0.3
182.75711	0.3
186.01634	1.3
194.32393	0.3
197.06046	0.4
209.19765	0.3
225.05428	0.9
230.78928	0.3
242.05698	1.1
253.04919	2.1
269.04327	0.3
270.05206	36.0
271.05975	100.0
272.06323	5.2
285.07547	56.2
286.07880	3.0
447.09164	1.6
448.09067	0.3
469.66983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1282
Annotation	Apigenin 7-(6''-methylgalacturonide)
Peak:m/z	Relative Intensity
60.84933	0.3
68.99800	0.4
69.26105	1.5
82.77874	0.3
85.02893	0.8
87.09454	0.3
88.04926	0.3
89.86709	0.3
94.12227	0.3
95.01334	0.6
95.81517	0.3
98.23483	0.4
103.05455	1.9
105.03381	1.5
120.31186	0.4
123.00790	4.1
131.04909	1.5
141.01761	0.5
142.53522	0.3
143.43832	0.3
152.01059	0.3
169.01245	1.7
179.04892	0.4
225.00691	0.3
225.05472	1.0
242.05574	0.5
253.04942	2.6
269.04538	0.5
270.05200	28.6
271.05972	100.0
272.06268	5.5
285.07538	48.2
286.07800	2.3
447.09055	2.2
448.28992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1652
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
65.03869	1.7
67.05450	1.4
68.99721	2.1
69.03380	0.7
71.04945	0.9
79.05441	1.5
81.03380	0.9
81.06998	0.8
85.02850	0.6
91.05418	2.2
94.11964	0.6
95.04872	1.9
105.04480	0.6
105.06947	2.2
107.04927	1.1
107.08535	0.8
109.06487	0.7
111.04370	1.7
115.05379	1.4
117.06946	2.7
119.04942	4.2
121.02858	41.7
121.03779	2.1
121.06428	0.8
127.07433	1.7
133.06444	1.0
135.04373	1.0
135.71077	0.6
145.02797	5.0
145.06430	2.3
147.04408	2.9
147.07971	0.7
148.20811	0.6
149.02275	1.3
149.05934	1.4
151.03886	1.7
153.01793	4.6
155.04805	0.8
157.06421	0.9
159.04324	0.9
163.03935	4.3
163.07498	0.8
165.05435	0.7
169.06422	0.8
171.02844	2.1
173.05995	3.8
175.03841	0.9
175.07474	1.4
177.05428	1.8
183.04369	0.8
183.07985	0.6
185.05951	0.9
189.09042	1.1
191.06934	2.2
193.04903	1.7
201.05478	6.9
202.07687	0.6
205.08551	1.2
207.06502	7.9
209.04416	1.3
213.05553	0.8
215.06953	0.8
219.06468	4.3
223.07535	0.9
225.05621	0.7
229.04906	2.5
235.05969	1.7
237.05589	0.8
239.06984	3.0
243.06496	1.1
251.07025	2.4
252.07861	1.3
253.08604	2.3
255.06685	1.0
257.08078	1.9
265.08597	5.4
266.09387	2.6
267.06500	2.2
267.10092	4.7
269.08099	1.3
271.05988	100.0
272.06335	4.9
275.10599	0.8
276.07962	0.8
277.08502	2.0
279.06488	1.9
279.10104	2.7
280.10828	0.9
281.08350	1.2
281.11728	6.1
283.09515	0.8
285.03973	0.7
285.07297	0.7
291.10059	7.0
292.10840	1.3
293.08063	4.8
294.08322	1.0
295.06070	1.9
295.09650	5.0
297.07526	2.2
297.10870	0.9
303.10071	0.9
305.08078	1.2
307.06049	1.4
309.07574	3.7
309.11255	6.2
310.08426	1.8
311.09097	1.6
313.07153	2.4
319.09561	5.8
320.10471	0.8
321.07742	1.2
321.11224	1.0
323.09189	4.5
323.12857	3.0
325.10675	18.7
326.11172	1.1
327.08636	2.0
335.09100	0.9
335.12820	0.7
337.10620	5.6
339.08932	0.7
341.10147	2.5
343.11722	1.3
347.09106	1.7
351.08243	1.3
351.12244	13.5
352.12766	1.3
353.10165	25.3
354.10574	1.5
355.11798	1.1
365.10181	28.2
366.10635	1.9
369.13712	3.2
371.11194	9.3
379.11758	4.6
383.14975	6.5
387.17731	2.0
397.12814	21.8
398.13171	1.7
411.14371	18.2
412.14926	0.8
415.13846	2.4
429.15570	7.4
447.20007	57.9
448.20361	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	447.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05538	0.6
58.35024	0.6
62.44368	0.5
69.27969	2.9
80.11211	0.5
83.07113	0.6
87.46912	0.5
93.01052	0.7
95.04980	0.7
95.08608	0.7
104.39284	0.7
105.07034	0.7
124.04004	1.2
127.01579	1.3
136.06178	1.0
137.05965	0.7
149.02338	0.7
168.27740	0.6
237.65724	0.7
244.33586	0.6
251.64928	0.5
271.05960	6.6
272.06329	0.7
284.98434	1.0
387.13443	1.5
447.17770	100.0
447.30890	6.7
448.18112	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	447.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	4.0
57.15258	4.0
65.03919	6.8
65.77055	3.7
66.04210	3.9
67.05515	5.7
68.99778	8.5
69.03433	6.9
70.06583	12.4
71.01321	6.6
71.42093	5.0
81.03425	6.2
82.44547	3.7
83.01332	11.8
84.04509	6.7
85.02444	3.9
85.02882	21.5
93.03397	6.2
95.01302	4.9
95.04936	9.4
97.02881	5.6
103.05447	6.9
105.03394	6.1
105.07010	5.9
107.04940	6.8
119.04984	5.2
121.02871	9.0
121.06522	9.1
126.97984	3.6
130.05043	8.4
131.04910	13.0
133.00858	4.2
137.02321	4.2
140.04669	5.4
141.01819	10.6
147.04340	5.1
147.07654	6.3
151.03940	4.9
153.01762	4.4
157.01283	9.6
169.01299	9.8
181.01311	28.5
181.04947	100.0
185.00699	5.5
191.03394	5.2
193.01288	8.8
195.02820	5.4
199.02399	30.7
199.05905	5.3
207.02859	8.9
221.04500	10.0
225.05644	4.5
235.02313	30.5
243.06535	5.3
247.02364	22.1
250.65761	4.2
255.06511	10.8
265.03418	17.5
270.05170	15.9
271.05862	39.7
283.06161	20.0
285.04626	4.9
285.07492	30.2
291.01358	6.5
301.07028	32.3
309.02280	6.0
313.07199	6.0
315.03271	8.4
327.03250	10.5
343.02966	10.0
354.07248	5.8
355.08133	18.1
361.02902	6.6
367.07977	9.3
401.08417	5.1
411.07169	6.3
416.14371	22.7
424.49356	4.2
428.07471	3.9
429.08063	11.4
447.10461	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	447.1989
Annotation	CAY10625
Peak:m/z	Relative Intensity
69.03425	0.9
81.03408	1.3
81.07048	0.3
83.04971	0.6
84.19425	0.3
85.02960	0.4
88.76342	0.3
95.04940	0.4
101.05910	0.6
105.07032	0.4
111.04433	1.3
117.79811	0.4
119.08605	0.4
121.02872	0.5
131.08470	0.3
137.02344	1.0
138.56328	0.3
145.10152	0.4
157.10164	0.3
163.14850	0.4
173.13394	0.7
193.12289	0.7
206.10968	0.3
208.31448	0.3
211.13286	0.6
217.02986	0.3
254.30914	0.3
271.05988	4.2
272.19330	0.3
285.17014	0.8
287.05588	0.7
341.17249	1.9
359.18484	0.3
387.17786	3.3
447.19882	100.0
448.20245	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	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05495	1.3
56.41114	0.4
57.03422	1.5
57.07059	1.4
62.39128	0.3
64.67049	0.3
67.05502	6.0
69.07053	1.5
70.06592	4.7
71.04957	0.4
71.08613	1.0
72.08160	0.5
73.02893	0.4
79.05487	3.4
81.07049	6.8
83.08577	0.7
84.08110	0.5
84.50006	0.3
85.06562	0.4
86.09695	1.1
88.07615	0.9
91.05463	2.3
93.07043	3.6
95.01322	0.8
95.04946	0.4
95.08595	4.9
102.09203	0.8
103.05457	2.0
105.03387	0.9
105.07037	1.1
107.08601	2.6
109.10120	2.9
111.52993	0.4
113.00011	12.8
113.02398	0.5
116.46954	0.4
117.07011	0.7
119.08571	1.3
121.10160	1.7
123.00774	4.6
123.11686	0.9
131.08563	1.0
132.10181	1.6
133.10147	0.5
135.11674	1.3
141.01794	1.0
142.29651	0.3
146.11755	2.2
147.11649	0.5
149.13176	1.1
159.11635	0.5
163.14828	0.6
169.01285	1.5
169.02629	2.1
173.13269	0.5
176.07985	0.4
187.03654	1.2
197.06038	0.4
218.57224	0.4
225.05467	0.9
243.21056	1.2
253.04906	2.6
261.22061	2.6
271.05981	100.0
272.06360	6.9
296.32764	0.5
317.24802	0.9
335.25745	9.9
336.26184	0.7
340.35736	1.2
341.36118	0.6
384.38272	4.6
385.38907	2.9
446.42004	13.1
447.09341	0.9
447.42352	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.5
53.03953	6.0
53.04152	1.3
55.01867	4.6
57.03436	2.5
60.06714	1.0
61.02923	1.5
63.41896	1.1
65.03940	1.6
67.05512	2.8
68.99792	1.5
69.03436	8.0
69.20317	1.0
69.46507	1.2
69.46842	4.7
70.06570	1.4
71.04974	1.1
73.02904	2.4
77.03915	2.4
81.03413	11.2
84.04495	1.3
84.08130	1.5
85.02404	1.7
85.02895	21.0
86.09700	3.9
87.00818	9.4
87.04472	4.8
90.43110	1.0
91.04010	1.0
95.04963	52.4
97.02896	12.1
99.04444	4.4
105.01861	6.4
105.04505	5.9
107.00491	1.1
108.04458	1.8
109.02878	8.6
117.01817	1.5
119.04940	1.3
123.00799	2.0
123.04421	67.8
124.04752	1.4
127.03905	16.8
137.02368	1.8
140.04674	15.3
145.04976	7.8
155.07033	34.4
159.02863	6.8
183.06509	100.0
184.06902	2.9
231.05034	2.9
287.05447	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03939	4.8
55.01865	3.2
57.03422	2.0
57.99571	1.0
61.02937	2.2
61.98501	0.9
62.04929	0.9
65.03915	1.1
65.66989	0.8
67.05499	3.0
68.99784	1.2
69.03419	6.0
69.10439	7.2
70.06577	2.5
71.05005	1.4
72.08189	0.9
73.02915	4.1
77.03928	1.8
81.03407	10.3
84.04513	1.7
84.29806	1.0
85.02905	21.1
86.09713	6.2
87.00824	9.7
87.04465	1.3
87.10048	1.2
95.04960	49.3
96.04491	5.2
97.02892	14.0
98.23423	2.1
99.04465	5.0
105.01868	6.1
105.04534	6.0
108.04457	1.0
109.02862	9.4
115.03951	1.1
117.01861	1.4
120.08115	1.5
122.06705	1.0
123.04426	62.7
124.04740	1.6
125.02344	1.3
126.05511	1.3
127.01662	1.0
127.03906	17.2
129.01881	1.1
130.05003	1.3
137.02312	5.3
138.02701	1.8
140.04668	16.9
145.04956	9.8
149.02287	1.3
154.08630	1.9
155.07018	36.4
159.02878	4.9
166.03259	2.1
177.05496	2.3
183.06519	100.0
184.06935	2.6
225.05316	1.5
226.86211	1.0
231.04929	2.9
237.08075	1.0
269.05927	1.6
287.05389	6.1
406.47495	1.0
448.16226	4.7
449.16537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00507	1.4
53.03933	4.5
55.01867	3.4
55.05506	8.5
58.99578	3.1
65.03926	3.2
67.05505	9.2
69.03423	26.1
70.99576	4.9
79.05505	8.4
80.05031	2.2
81.03416	31.1
81.07059	8.7
83.02793	1.7
83.04979	15.2
85.01143	2.7
85.02855	1.7
86.20235	1.5
88.03973	2.8
91.05489	12.1
93.07034	7.9
95.04972	6.1
95.08608	6.5
97.01106	5.6
99.99397	1.6
105.07020	9.5
107.04961	3.6
107.08589	9.3
109.02854	3.1
109.06512	4.5
109.10141	2.8
111.04435	13.8
112.02178	12.8
113.02969	2.9
113.06012	4.3
114.03703	3.2
115.05480	3.1
116.01673	2.8
117.07024	5.5
119.08562	15.3
121.06527	2.6
121.10160	4.5
123.04395	2.6
123.08072	3.4
124.02161	4.2
124.03978	2.0
126.03704	7.4
128.05272	1.7
128.06216	4.4
129.06995	5.5
130.03197	2.6
130.07793	3.5
131.08583	9.7
133.06479	3.2
133.10129	7.8
135.08083	2.5
136.02141	4.0
136.06195	2.3
137.06001	2.6
138.03719	5.9
138.05493	5.5
141.07022	4.1
142.07755	7.0
143.08572	9.5
144.01125	2.7
144.08104	3.5
145.06520	3.3
145.10121	10.5
146.02701	1.8
147.08058	4.2
147.11668	2.6
149.04224	3.0
149.09612	4.3
150.03705	5.5
152.01610	2.1
152.05273	2.4
153.06970	2.7
154.03154	2.2
154.07729	2.8
155.08568	5.6
156.01134	4.1
156.09253	4.1
157.06528	1.9
157.10126	11.5
158.02779	2.9
159.08049	4.2
159.11703	7.0
161.04218	4.0
161.09615	14.1
162.03706	3.4
163.11195	5.4
164.05350	1.8
165.07069	3.3
167.08531	4.7
168.09325	4.0
169.10132	11.1
171.08067	2.4
171.11699	7.6
172.00635	3.0
173.09612	4.0
173.13274	2.3
175.11218	3.0
176.05266	3.0
181.10138	8.0
182.10954	3.5
183.10284	2.0
183.11653	10.1
185.09648	4.1
185.13246	4.8
187.05798	3.4
187.11185	2.6
188.05293	2.7
189.07367	2.3
193.10234	3.0
195.11797	3.4
196.11159	2.4
198.12770	2.8
199.05754	2.0
199.11166	1.9
201.07341	2.4
201.12820	3.6
202.06860	3.0
205.10330	2.1
207.11749	2.7
209.13193	2.4
211.11160	4.0
214.06715	2.2
215.08853	4.9
217.10219	3.4
228.08499	2.0
230.09958	2.5
233.09940	3.0
237.12589	2.3
251.10910	1.7
256.11600	2.8
258.13052	9.6
260.14688	10.4
271.13144	4.1
272.06467	2.3
273.14951	8.7
273.17587	1.6
274.12619	2.8
276.14163	2.8
287.05685	2.7
302.12027	6.2
318.11649	3.1
320.13089	13.6
325.12372	2.2
336.13159	2.0
336.19553	3.0
343.13666	2.2
360.16266	3.6
361.14713	2.2
366.15155	3.0
368.16711	13.2
384.16428	4.3
386.13562	2.4
386.17929	20.1
394.14728	2.8
412.15720	15.0
430.16849	46.6
431.17212	5.5
448.17838	100.0
449.18204	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
57.03432	2.4
59.04997	1.1
61.02930	2.8
69.03437	3.1
71.01368	0.8
73.02915	16.5
75.18211	0.3
78.03461	1.4
81.03429	1.2
85.02904	8.2
87.04480	1.5
96.04491	100.0
97.02891	3.8
97.04825	1.7
99.04400	0.5
103.03954	0.6
109.02853	0.7
115.03924	3.3
127.03879	2.4
133.04950	2.1
136.07611	0.6
143.07108	0.7
145.04965	1.9
154.08623	63.2
155.07063	0.5
155.08960	1.5
163.06075	0.6
171.57710	0.4
183.06537	0.5
203.09183	0.7
221.10083	0.5
316.13882	9.1
316.38223	0.4
448.18219	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84134	0.4
56.05028	1.8
57.05803	0.5
60.04502	0.4
60.05626	1.2
64.49959	0.3
69.03405	0.4
70.06561	1.1
72.08134	0.7
73.04712	0.4
73.95432	0.3
79.05448	0.5
83.06094	1.9
84.04480	0.6
84.08101	0.5
86.09660	0.4
91.05416	0.5
92.04984	0.5
97.07652	0.4
99.05524	0.4
104.04933	0.6
105.03382	3.0
105.05739	2.3
106.06558	2.9
108.97837	0.3
111.05559	6.4
113.07094	1.4
118.06497	1.3
120.04456	14.3
123.05529	1.1
123.73012	0.3
124.05032	0.5
126.06631	10.6
127.07446	0.7
130.06500	0.5
132.04442	23.4
132.08066	0.5
133.04793	0.4
134.06007	8.5
135.75319	0.3
137.04645	1.1
140.08188	1.9
145.03976	0.7
146.02354	1.3
146.05991	0.5
149.07072	0.8
151.06140	9.8
157.07555	0.5
158.05937	0.6
159.05505	0.6
162.06630	0.6
168.08804	2.6
175.08784	0.4
183.09650	0.4
185.07068	0.6
202.09737	14.0
203.10036	0.6
214.09680	0.7
215.08237	0.6
216.11331	3.2
230.09233	8.9
231.09775	0.7
231.12418	1.2
232.10783	4.7
242.09229	3.7
243.09537	0.4
255.08852	0.5
257.10324	4.6
259.11884	71.8
260.12177	2.8
273.07315	0.4
277.12878	2.4
284.11377	5.0
301.14063	9.7
302.12430	30.5
303.12653	2.0
319.15079	2.5
360.16708	0.5
362.18112	0.8
388.16373	0.4
406.17160	13.4
407.17505	0.8
413.15579	0.4
429.11646	0.3
430.18225	1.9
431.16766	0.9
448.19351	100.0
449.14017	0.4
449.19724	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35594	0.3
54.36920	0.4
55.31337	0.3
56.05027	1.8
60.05615	1.5
67.01092	0.3
69.03409	0.9
70.06547	1.5
71.40910	0.3
79.05459	1.0
80.04990	1.0
81.03387	0.8
82.69095	0.3
83.06062	1.5
84.04462	0.9
85.02884	1.1
90.80405	0.3
91.05813	0.5
95.04950	0.6
95.06055	0.7
96.04485	0.4
97.02883	0.7
99.05581	0.6
100.07578	1.1
104.04974	0.4
105.03386	1.9
105.05756	1.6
105.07001	1.1
106.06516	1.3
111.05566	6.5
112.08636	0.4
113.07112	1.2
120.04465	13.9
121.02821	0.6
123.05519	1.5
126.06627	10.4
127.03918	0.5
127.07378	1.2
130.04971	1.1
130.54030	0.4
132.04449	24.6
132.08028	0.5
133.05185	0.4
134.06007	9.2
137.04634	1.3
140.08138	1.4
145.03888	0.7
146.02321	1.1
147.07640	0.8
149.07086	0.4
151.03931	4.5
151.06142	9.9
152.04259	2.9
158.05965	0.4
159.05463	0.6
162.06572	0.8
168.08804	3.5
174.06622	0.4
174.07913	0.5
175.08641	0.6
176.64766	0.4
183.06496	0.7
185.07080	0.8
187.07335	0.6
187.08781	0.4
202.09746	15.7
214.09799	0.6
215.08032	0.7
216.11330	3.6
221.20906	0.4
227.09274	1.0
230.09232	9.7
231.12292	0.9
232.10791	4.9
233.11531	0.5
242.09196	4.1
255.08667	0.4
257.10367	4.9
259.11896	86.4
260.12234	3.2
277.13019	2.8
284.11377	5.6
287.05542	1.3
301.14063	9.8
302.12448	38.4
303.12790	2.1
319.15125	1.8
362.18127	1.0
388.16138	0.5
406.17184	13.9
407.17587	0.6
430.18268	1.2
431.16830	1.3
448.19388	100.0
449.19730	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	448.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	6.0
69.03439	15.9
69.07066	13.1
69.33197	18.5
79.05492	15.4
81.03408	5.9
81.07092	8.1
83.04987	22.8
85.02896	7.0
91.05488	8.7
93.07028	16.8
95.04985	9.7
95.08611	7.3
97.06534	14.4
99.04459	7.2
105.07015	23.4
107.04962	11.2
107.08598	11.3
109.02906	3.9
109.06509	8.9
112.02248	4.7
117.07037	8.2
119.05007	3.5
119.08589	5.8
121.06512	14.2
121.10093	4.0
125.05986	27.8
128.06169	4.4
131.08562	6.7
135.08058	5.4
143.07051	24.1
145.06418	3.7
145.10100	42.4
147.11696	7.2
157.10161	3.7
159.11720	11.2
163.11169	100.0
169.10316	3.7
173.09634	33.5
183.11806	4.2
187.11157	21.7
189.07170	3.5
191.10669	26.0
197.09637	5.6
205.12148	15.7
209.11848	4.1
215.10661	24.1
229.71239	3.5
233.11728	67.1
251.12653	8.2
269.13776	6.5
271.05988	6.2
271.93030	3.2
272.06448	20.0
287.05450	38.0
289.08582	3.3
303.13040	3.4
328.52628	3.6
379.22208	3.3
426.87381	3.7
430.16864	9.6
448.17575	16.1
470.24136	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	448.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03423	4.9
61.02928	2.5
64.47604	1.6
65.03921	1.7
68.99787	3.5
69.03414	4.5
70.06583	5.6
71.01327	2.4
71.04996	19.7
73.02922	2.0
75.04482	3.4
77.03949	1.9
81.03387	4.0
83.01347	2.4
83.04961	3.9
84.08155	3.2
85.02906	48.9
87.00803	2.7
87.04439	1.6
95.04985	3.5
97.02908	8.2
103.05468	14.2
105.01824	1.8
105.03376	4.0
107.04955	2.0
109.02866	3.5
111.04438	2.4
113.02337	1.6
117.80985	1.7
121.02891	2.1
121.06533	3.4
122.03197	2.1
123.00755	3.3
123.04443	3.3
124.04679	1.7
127.03916	6.7
129.05496	17.6
131.04927	27.9
132.05278	2.1
133.02815	2.7
137.02332	8.9
139.03885	2.0
145.04976	4.6
145.45111	1.7
147.04324	2.3
147.06523	10.4
147.07948	1.8
149.02426	2.1
151.03850	9.3
153.01814	5.0
163.02158	3.3
165.01765	2.2
165.09044	3.5
168.00539	4.6
169.01323	8.0
180.03801	2.4
181.01308	11.1
182.01660	4.2
186.01643	3.7
193.01379	2.6
194.01692	2.6
195.02869	2.1
199.02330	10.5
200.02711	4.0
207.02995	2.5
208.03223	3.3
219.02913	4.0
221.00819	2.4
223.02364	1.6
235.02412	9.3
236.02672	8.4
239.01831	2.9
247.02393	5.1
248.02779	7.8
249.00423	2.7
264.02307	1.7
265.03455	7.5
266.03802	5.9
270.05222	33.9
271.05618	78.6
272.06329	29.8
273.07571	10.0
273.10538	1.9
276.99683	2.2
285.07584	44.8
286.07874	100.0
287.05417	6.2
287.08179	4.5
291.01355	2.2
291.12314	3.2
292.01779	2.1
295.00842	3.5
301.07111	4.6
302.07333	7.7
309.02573	2.0
314.07355	3.0
327.03537	2.3
335.05408	2.4
347.36926	1.9
355.07629	3.2
356.08414	7.1
368.08508	2.0
381.80420	1.9
386.09695	2.6
416.13889	2.2
430.08221	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.4
55.05494	2.3
57.03423	1.8
57.07058	2.1
67.05502	3.3
69.03419	0.5
69.07062	5.0
69.29401	0.5
71.04982	1.4
79.00971	0.5
79.05470	1.9
81.07037	3.8
83.04967	1.4
83.05496	0.5
83.08596	1.6
91.05471	2.1
93.07038	7.0
95.04951	1.4
95.08598	4.2
97.02883	2.1
97.06525	1.0
97.10155	0.7
98.22671	0.9
98.98476	4.6
104.24802	0.6
105.07027	3.8
107.08591	2.9
109.06490	0.9
109.10157	0.8
110.80681	0.5
111.04431	0.5
111.08061	1.5
115.07588	0.6
117.07037	0.6
119.08568	4.9
121.10118	0.8
127.01540	0.9
128.06187	1.4
129.06996	1.5
129.09103	2.9
130.07771	0.8
131.08549	3.6
133.10114	2.5
136.99979	2.3
139.07521	1.5
142.07753	2.7
143.08559	3.9
144.09329	1.8
145.10106	11.0
147.11705	0.6
149.09554	0.6
153.09093	0.7
155.01022	1.5
155.08527	1.7
156.09331	5.9
157.10112	9.2
158.10953	0.8
159.11684	10.7
165.07016	1.4
166.07779	1.0
167.08554	1.6
168.09387	0.5
169.10103	3.2
170.10887	8.1
171.11670	21.8
172.12268	0.6
173.13235	2.5
178.60413	0.5
179.08571	0.7
180.09338	1.8
181.10074	3.2
182.10912	0.6
183.11646	3.5
184.12445	1.9
185.13245	12.5
186.13991	3.9
187.14771	1.9
188.46774	0.6
192.09334	0.6
193.10139	1.4
194.10794	1.2
195.11681	9.9
196.11993	1.0
197.13217	6.6
198.13928	0.5
199.14792	7.0
207.11609	3.3
208.12479	1.5
209.13220	4.2
210.96869	0.6
211.14926	0.8
213.16374	0.8
220.12520	1.3
221.13129	0.8
222.14023	2.4
223.14764	0.9
235.14824	3.5
237.12733	1.0
237.16344	8.2
241.12152	0.7
251.17941	1.3
253.15981	0.8
255.13759	0.9
255.17360	0.8
263.78320	0.8
271.16968	0.7
279.17389	1.7
297.18497	4.8
312.26154	1.3
315.19510	100.0
316.19836	7.2
316.23181	0.6
448.26694	9.6
449.26913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.95502	0.1
59.36398	0.1
65.03937	0.3
67.05499	0.4
69.03399	0.2
69.07053	0.6
70.06587	0.4
78.03435	0.1
79.05482	0.4
81.07040	0.2
83.08617	0.2
87.04467	0.3
91.05452	0.3
92.04991	0.8
93.05783	0.3
93.07054	0.2
94.06566	3.3
95.08567	0.2
96.04505	0.7
97.06509	0.2
105.07019	0.3
110.06039	2.7
119.04990	0.2
121.02818	0.3
121.10101	0.1
125.09607	0.2
136.06178	0.6
138.05495	100.0
139.05835	2.2
147.04411	0.4
148.04784	0.2
174.24101	0.2
259.62109	0.1
287.05606	0.6
397.33334	0.2
448.26843	1.9
449.27444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
55.67872	2.3
60.34502	2.5
67.05501	4.0
69.07071	4.2
69.39659	10.3
79.32034	2.5
79.64387	2.7
81.07063	9.5
81.12241	2.5
82.55025	2.7
83.04994	8.7
86.36145	2.6
91.05486	7.1
93.07059	7.6
95.04951	6.9
95.08617	5.1
98.98463	7.5
100.99529	2.4
105.07031	6.0
106.38374	2.3
107.08596	9.3
109.10146	3.4
113.00008	45.8
119.08586	8.4
121.10156	6.3
127.01561	100.0
128.28156	2.2
131.08571	4.5
133.10114	5.9
145.10155	3.9
159.11700	4.6
161.13187	3.7
181.11780	2.4
201.16330	2.5
206.98224	3.7
277.89548	2.7
280.98117	6.4
344.51712	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	448.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25711	15.9
64.74936	13.7
67.05502	31.1
69.16862	100.0
79.13177	14.6
81.07065	35.7
93.07040	45.7
95.04980	44.6
95.08585	45.5
97.06468	25.7
101.13319	15.9
105.07024	26.9
107.08575	47.6
119.08607	26.2
121.10159	22.3
132.79791	15.1
133.10098	21.4
149.13095	16.6
183.32698	17.3
219.36136	16.1
272.06223	19.3
287.05426	26.1
384.62994	18.5
448.29584	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
53.03919	0.3
55.01847	0.4
57.03423	0.4
58.30613	0.3
61.02919	0.5
68.99780	0.8
69.03412	0.7
69.38326	1.2
70.06603	0.4
80.50027	0.3
81.03405	0.4
85.02902	2.6
91.05472	0.8
97.02872	1.0
107.08559	0.4
109.02811	0.3
119.04931	3.8
121.02848	1.6
123.00762	1.2
127.03895	0.4
137.02357	0.5
141.01785	0.4
163.03775	0.3
169.01337	3.9
205.14485	0.3
214.94672	0.3
225.47557	0.3
231.06561	0.4
241.04817	0.7
269.04330	0.5
287.05478	100.0
288.05807	4.9
379.58578	0.4
432.18289	1.0
449.19778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	KAEMPFEROL-7-O-GLUCOSIDE
Peak:m/z	Relative Intensity
51.15927	0.3
57.03422	0.3
61.02916	0.4
61.99923	0.2
65.03965	0.2
68.99789	0.2
69.03413	1.1
69.45132	0.2
69.47594	0.7
69.47993	0.5
73.02906	0.3
85.02893	2.4
91.05473	5.1
95.01354	0.3
97.02892	0.8
109.00684	0.2
113.02427	0.2
119.04942	2.3
121.02827	1.0
123.00795	0.4
127.03898	0.4
131.03473	0.3
131.04933	1.4
138.04495	0.2
141.01808	0.4
145.04948	0.6
151.00206	0.4
169.01318	26.9
170.01634	0.7
181.01289	0.3
185.05959	0.3
187.02345	0.4
237.02626	0.3
245.04385	0.4
259.06024	0.4
273.07611	5.5
274.07874	0.4
287.05475	100.0
288.05844	5.7
417.14355	0.3
449.10901	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	449.1076
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
56.32473	0.4
61.02908	0.5
69.38488	0.8
69.38895	1.3
79.48499	0.4
81.03435	0.8
85.02900	2.3
87.95631	0.4
95.01314	0.5
97.02866	0.7
105.41745	0.4
119.04938	4.0
121.02869	1.3
123.00803	5.8
134.72562	0.4
169.01280	3.0
178.18222	0.4
200.63913	0.4
241.04939	0.8
244.76425	0.4
269.04462	2.7
287.05469	100.0
288.05701	3.3
295.57779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Dihydrobaicalein 7-O-glucuronide
Peak:m/z	Relative Intensity
50.56041	0.9
52.64099	0.9
57.03442	1.5
68.99783	2.4
69.68011	0.9
70.03687	2.8
71.01350	2.3
73.01112	0.9
73.02917	2.5
79.05569	0.9
80.88851	0.8
83.41180	1.0
85.02900	12.3
91.05475	1.4
95.01308	2.7
103.05470	6.5
103.63897	1.0
107.04968	1.3
113.02361	7.4
122.77260	1.0
123.00799	1.8
131.03381	2.9
131.04924	18.5
132.51541	0.9
135.90596	0.9
141.01826	3.5
159.02908	3.0
164.28313	0.9
169.01312	68.7
173.05986	2.5
187.02438	3.5
226.91054	1.3
273.07562	100.0
274.07913	4.2
274.54648	1.0
281.91397	1.0
431.09512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03943	0.2
57.03427	0.2
61.02911	0.3
65.03922	0.2
67.05473	0.3
69.03418	0.6
69.30344	1.1
79.05485	0.3
81.03423	0.5
81.07099	0.2
85.02900	1.6
87.04462	0.3
87.35279	0.2
91.05454	0.5
95.04942	0.3
97.02869	0.7
103.05410	0.3
107.04951	1.8
109.02853	0.3
119.04947	1.2
119.05668	0.2
121.02873	0.5
123.00768	1.6
127.03922	0.5
128.00711	0.3
135.04430	0.8
135.90767	0.2
137.05992	1.3
141.05440	0.4
145.04948	0.4
151.02657	0.3
151.03906	10.2
151.05029	1.2
153.01820	15.4
154.02133	0.4
169.01324	1.9
241.04977	0.3
269.04416	0.8
287.05475	100.0
288.05823	3.7
297.04016	0.5
407.01535	0.2
449.10760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.01908	0.2
55.05528	0.2
68.99840	0.2
69.03452	0.4
69.45544	0.6
79.05521	0.3
81.03460	0.5
81.07084	0.2
83.05020	0.2
85.02943	0.4
86.09726	0.3
87.04518	0.2
88.02261	0.7
91.05522	0.5
93.07094	0.3
95.04961	0.2
97.02985	0.2
98.22741	0.3
105.07046	0.4
107.05008	0.2
116.01719	0.4
119.04945	2.8
119.05737	0.2
119.08588	0.3
121.02876	1.3
123.00756	0.9
125.00065	0.2
133.10141	0.2
137.02373	0.5
145.02786	0.3
145.10187	0.4
151.00313	0.3
153.01802	1.0
157.10167	0.2
159.11664	0.3
169.01305	3.2
184.07352	0.4
189.05550	0.2
213.05516	0.4
241.04955	0.4
245.04323	0.3
259.05978	0.2
269.04456	0.3
273.14978	0.2
286.04556	0.3
287.05463	100.0
288.05795	5.4
311.09180	0.3
382.81750	0.2
385.12878	0.3
413.12479	0.3
414.17099	0.4
431.13361	1.4
432.18341	2.4
449.10568	5.9
450.10898	0.5
450.19403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
63.92374	0.4
67.01891	1.0
68.99828	0.8
69.03439	0.7
70.07536	1.0
70.07869	0.8
81.03451	0.5
83.01847	0.4
85.02917	3.3
91.05524	2.0
95.04983	0.8
97.02888	1.0
107.04977	1.1
109.02910	0.6
119.04935	10.3
119.05696	0.6
121.02895	1.2
121.06516	0.8
123.00796	3.7
123.04488	1.8
125.60830	0.5
141.68651	0.4
147.04399	24.7
151.04012	0.4
153.01814	53.9
153.56770	0.5
154.02142	1.2
169.01367	1.9
171.02919	1.9
173.40616	0.5
179.03415	0.8
241.04939	1.3
269.04453	2.0
272.06473	0.8
273.07556	74.7
274.07883	3.4
287.05472	100.0
288.05823	4.9
400.35294	0.5
413.54434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Dihydrobaicalein 7-O-glucuronide
Peak:m/z	Relative Intensity
55.01879	1.0
57.03437	1.9
59.43735	0.9
68.99778	1.7
71.01339	2.0
73.02914	2.5
75.13069	1.0
85.02897	10.1
91.05482	3.8
91.81364	0.8
95.01326	3.3
97.02882	1.2
103.05456	7.7
113.02412	4.9
121.06530	2.4
123.00767	2.8
131.03386	3.2
131.04927	20.1
141.01788	2.9
159.02930	3.1
167.03474	1.0
169.01320	69.6
170.01654	1.5
173.05943	2.6
187.02348	4.6
271.05905	1.6
273.07562	100.0
274.08057	4.9
287.05402	5.4
447.29080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Scutellarein 6-O-galactoside
Peak:m/z	Relative Intensity
57.03424	1.4
58.04654	1.1
65.03943	1.5
68.99813	2.1
69.03420	1.9
69.42447	4.2
70.06561	1.7
74.84879	1.2
79.05474	1.3
80.12779	1.2
81.03413	2.8
83.01339	5.4
85.02911	5.0
91.05475	2.7
97.02891	1.7
98.23480	1.9
103.03917	1.3
109.02890	2.2
119.04969	6.0
121.02868	35.2
126.55210	1.2
128.07066	3.7
129.07426	1.7
131.04956	3.3
137.02403	2.3
137.05887	1.3
145.02841	1.8
147.04457	2.0
151.03842	1.4
153.01836	5.4
163.03822	1.7
164.31871	1.2
165.01840	4.6
168.00578	2.5
169.01332	5.4
173.06146	1.2
175.03995	1.9
179.03423	2.1
181.01315	13.9
183.02876	8.7
186.01614	1.4
193.01270	1.4
195.76096	1.3
199.02353	9.9
203.03377	2.6
207.02753	2.9
211.02386	6.7
212.09102	1.5
215.88806	1.3
221.04475	3.0
230.10201	2.4
255.06467	1.3
259.02393	2.0
269.04364	2.7
270.05203	7.2
271.05740	10.0
272.05957	13.2
273.06802	7.5
277.03403	1.9
283.05933	6.5
285.04419	2.2
285.07626	12.8
285.10547	2.4
286.04700	13.7
286.07910	11.9
287.05359	9.1
287.08182	26.2
295.06042	1.9
297.03925	8.9
297.07556	4.4
299.05493	100.0
300.06113	12.3
311.05493	11.2
313.06830	2.0
321.07724	1.9
324.06155	2.3
325.07080	19.4
326.07269	1.7
329.06543	98.3
330.06961	6.0
337.06885	1.7
339.08551	11.9
349.06927	3.0
353.02423	2.8
353.06537	43.8
354.06946	3.3
365.06506	8.9
365.10352	1.5
367.08008	1.7
377.06464	9.4
383.07635	23.2
384.07861	1.7
395.07568	22.2
413.08640	19.7
431.09802	11.7
449.11255	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Dihydrobaicalein 7-O-glucuronide
Peak:m/z	Relative Intensity
57.03437	2.9
59.45348	0.8
61.02948	0.7
63.32089	0.6
68.99790	1.6
69.03429	0.8
70.16660	1.0
70.16968	0.8
71.01365	4.1
73.02910	5.4
79.05486	0.7
83.01337	1.0
85.02898	17.2
88.46282	0.6
91.05484	1.4
93.63409	0.6
95.01329	6.8
97.02895	1.3
99.00818	1.3
101.02397	0.8
103.03981	0.8
103.05467	8.0
107.04974	1.2
108.20793	0.6
113.02367	9.2
119.67963	0.8
123.00803	2.6
131.03450	3.4
131.04921	18.7
132.05281	0.8
141.01816	6.8
159.02888	4.0
162.11652	0.8
162.52626	0.7
169.01318	58.8
170.01707	1.2
173.06007	2.4
187.02415	1.2
193.01363	1.8
271.06018	6.6
272.06277	4.5
273.07574	100.0
274.07877	5.1
274.26669	0.7
285.07437	0.9
297.07477	2.8
327.03583	0.8
338.07800	0.7
386.25726	0.6
431.09601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93567	0.5
53.03950	0.6
55.05515	6.7
57.07077	23.6
65.03941	7.1
71.05000	0.6
71.43157	0.6
81.03414	1.2
81.13676	0.5
83.04980	68.5
84.05303	1.0
88.18407	0.5
91.05480	5.7
95.04965	1.3
98.98465	8.5
105.07031	2.0
107.04961	0.9
107.08593	0.6
115.05481	1.7
119.08633	0.6
125.77515	0.5
128.06226	0.8
129.07011	2.0
131.08575	1.2
132.09369	0.7
141.06993	3.4
146.36000	0.6
147.08051	1.3
147.11693	4.6
151.01555	9.4
157.07623	0.6
159.08049	2.3
163.01559	4.3
169.07658	1.5
175.01559	8.9
181.02625	1.9
187.01564	2.0
209.03474	0.5
227.04628	3.1
239.04694	1.5
249.26538	0.6
254.98100	1.3
260.99200	3.1
287.05527	2.2
287.37369	0.5
293.37805	0.5
337.02350	58.7
338.02655	1.7
339.41708	0.6
378.05084	0.6
393.08612	100.0
394.08899	3.7
434.11209	1.4
449.14786	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	449.163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12681	2.1
52.89968	2.2
53.03942	8.2
53.57281	2.2
55.01875	3.1
55.05510	7.6
57.03436	2.4
58.99578	9.8
61.01144	12.5
62.72248	2.2
65.03944	2.4
67.05169	2.0
67.05508	26.5
68.40113	2.3
69.03430	20.3
69.07067	3.9
69.17729	7.2
69.18134	5.3
71.04973	2.7
73.02911	5.7
77.00619	13.0
79.05495	10.9
81.03409	42.9
81.07049	8.6
83.05005	11.6
85.01102	2.9
85.02920	3.0
85.06535	2.9
86.99056	6.2
89.00632	3.9
89.06021	7.8
91.05482	24.5
93.07027	14.7
95.04939	13.4
95.08596	9.0
97.01125	2.6
97.02938	3.2
97.06535	3.2
98.22624	4.3
101.00587	4.6
102.06768	2.3
103.05444	2.2
105.00101	3.3
105.07022	21.9
107.04945	7.4
107.08604	13.5
109.02897	6.3
109.06516	8.8
109.10178	2.3
111.04439	7.9
113.06007	3.4
113.72469	2.1
115.02151	3.1
115.05485	2.9
117.07018	10.0
119.04968	6.0
119.08566	29.1
121.02883	7.1
121.06498	8.7
121.10122	7.0
123.08072	4.5
126.04327	2.0
128.06232	7.8
129.07013	10.5
130.07828	3.4
131.04932	6.2
131.08609	13.9
132.99486	11.4
133.06480	7.2
133.08618	4.1
133.10127	13.0
135.08083	5.9
136.06200	4.5
137.09656	2.0
141.06984	9.4
142.07779	9.8
143.08556	23.4
144.09334	4.5
145.06483	8.1
145.10123	26.3
147.04398	3.0
147.08040	9.6
147.11703	11.1
149.09622	4.5
149.60918	2.3
153.06950	4.3
155.08592	10.1
156.09367	6.4
157.06508	4.4
157.10136	20.5
159.08060	8.5
159.11667	15.3
161.09612	8.6
161.13216	10.3
163.02141	2.5
163.07552	4.2
163.11203	12.9
165.06995	5.8
165.09122	3.1
166.07726	3.2
167.08542	8.4
168.09320	7.3
169.01314	5.7
169.10149	9.4
170.10875	3.2
171.08070	3.1
171.11702	9.2
173.09584	9.8
173.13249	5.3
175.11201	2.6
179.08554	7.2
181.06406	2.8
181.10143	10.7
183.08130	3.5
183.11661	17.4
185.09630	4.5
185.13243	9.1
187.11168	12.1
191.08760	2.4
191.10596	3.0
193.10135	5.9
193.19843	2.3
194.10944	3.7
195.08142	6.1
195.11728	4.0
199.11150	4.4
199.14824	3.5
201.12708	5.1
203.14346	3.4
207.11604	3.1
209.09630	4.0
209.13235	8.9
211.11256	8.3
211.71967	2.1
213.12956	2.3
215.08861	8.3
217.10303	3.0
218.01283	2.1
219.11621	2.3
221.09694	2.3
221.13425	2.1
222.10339	2.5
227.14369	7.7
229.12254	4.9
233.09920	6.1
237.12785	6.3
245.11761	2.5
245.15480	3.0
247.11296	3.3
251.14473	2.8
255.13814	28.3
273.07413	2.5
273.14868	31.6
275.14349	5.3
287.05505	100.0
288.06018	3.6
293.15378	4.2
321.11404	3.5
325.12604	3.4
327.15997	2.7
367.12155	3.6
368.57663	2.7
413.14325	3.4
431.15286	6.1
432.18359	2.3
449.16275	7.7
449.22339	5.5
469.79425	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.6
67.05490	2.2
69.03429	2.8
70.06592	4.8
71.42197	0.7
72.08155	3.1
74.04674	0.8
81.03411	4.4
83.04961	1.0
84.04502	2.0
84.08137	2.3
85.02905	3.8
85.84285	0.8
86.09716	6.6
93.03422	1.3
95.04965	1.2
97.02893	2.5
101.06022	1.5
108.02066	1.4
109.02873	1.4
111.04436	3.2
115.32864	0.8
116.07053	1.5
120.08105	2.5
121.02904	1.2
125.05978	3.7
127.03886	1.6
130.04997	1.9
136.07582	3.0
141.05463	2.4
145.04852	1.0
147.07651	1.4
151.03897	100.0
151.04968	6.3
152.04250	2.2
166.04971	1.3
169.04976	7.5
193.12201	1.0
274.06824	0.8
287.05441	18.7
295.08099	4.4
313.09134	6.9
405.08218	7.5
449.07175	8.3
449.15244	5.3
449.28000	0.9
450.21033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01871	0.5
57.03444	0.5
60.32707	0.4
65.03935	3.1
67.05505	1.2
69.03403	2.0
70.06583	1.6
72.08156	0.6
81.03426	3.9
83.04987	1.0
84.04501	1.8
84.08119	0.7
85.02901	3.6
86.09689	2.2
91.05460	0.8
93.03420	2.0
95.04942	2.3
96.04461	0.6
97.02911	2.2
101.06017	1.3
105.04521	0.4
108.02109	1.4
109.02906	1.9
110.03646	0.5
111.04440	4.6
119.04919	0.4
120.08130	0.7
123.04455	1.5
124.04780	0.4
125.06002	3.3
127.03922	1.5
130.05009	2.8
137.02350	0.5
141.05482	1.8
145.04979	1.1
147.07622	2.4
149.02365	0.5
149.09579	0.6
151.03906	100.0
151.04988	6.8
152.04247	2.0
153.01852	0.7
155.07098	0.6
167.06990	2.2
169.04964	8.1
177.05463	1.3
178.05823	0.7
183.06546	1.2
184.06900	1.1
193.12312	0.8
195.06491	0.7
196.06870	0.8
213.05522	0.6
250.14400	1.5
268.15506	0.6
269.10437	0.5
287.05493	22.7
288.05869	1.2
295.08066	3.6
304.10193	0.6
313.09143	5.6
366.61508	0.5
405.08301	1.5
449.06842	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	449.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16669	1.9
57.03428	1.9
59.39417	1.8
62.48890	1.9
65.03941	3.6
67.05502	9.0
69.03431	7.7
69.23285	8.8
70.06599	2.8
73.02922	2.8
77.98797	1.8
81.03419	3.4
81.07057	4.3
85.02906	12.6
85.44173	1.7
91.05462	15.9
93.03394	2.1
95.04967	2.6
97.02900	7.5
98.22656	3.0
109.02894	3.4
109.10172	5.6
111.04446	5.2
112.04053	2.0
113.39120	1.9
118.08646	1.9
121.06504	2.7
125.05997	4.8
127.03931	5.0
128.53569	1.9
133.05002	4.5
141.05499	3.0
145.04944	4.7
148.26286	2.1
151.03905	100.0
151.04950	6.0
152.04289	2.4
163.06102	2.2
169.01289	4.5
169.04950	9.4
170.40564	1.9
173.39249	1.8
263.36978	2.2
287.05524	24.1
287.09195	11.3
288.05905	1.8
299.04941	2.1
307.04269	2.1
313.09155	6.7
314.30069	1.7
320.59570	1.9
329.06467	2.8
449.14734	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	449.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75831	0.7
61.02916	0.9
67.05503	0.9
70.71090	1.2
79.05504	0.9
83.55193	0.6
93.07002	0.8
95.08620	0.8
95.24926	0.7
98.98463	49.3
105.07000	1.2
113.00014	100.0
115.11308	0.6
121.10114	0.9
127.01575	3.7
128.88622	0.7
147.11748	0.8
187.00053	1.5
192.96622	60.6
201.01598	1.5
206.98199	2.6
210.97514	0.7
224.99292	1.4
233.99303	0.8
280.98203	27.2
321.16367	0.6
337.04666	1.1
350.44464	0.7
417.47263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36927	0.7
54.92905	0.7
69.49472	0.7
69.49762	3.1
70.68924	0.7
75.11934	0.7
81.47756	0.7
82.06575	0.7
82.38521	0.6
97.04777	0.6
98.22727	1.3
103.05464	1.6
106.02866	0.8
106.89310	0.7
107.01299	1.8
122.02222	0.7
131.04910	2.8
137.19258	0.7
144.08067	0.7
146.09607	4.2
147.10384	1.1
158.09677	1.2
169.01314	4.1
172.07582	8.3
174.09126	1.3
184.07646	0.7
189.10217	3.1
190.10973	3.1
192.06706	1.3
200.07086	6.5
202.01404	0.7
202.11012	1.0
202.99767	4.0
204.02882	1.8
204.10237	2.2
205.10898	1.4
217.07625	1.5
217.09714	37.5
218.08138	15.1
218.10027	1.2
221.00803	5.6
222.10014	1.8
226.01349	1.7
226.04942	1.0
228.06583	4.1
230.00877	1.7
232.09627	3.5
240.06567	6.5
241.07326	23.9
242.08105	4.8
244.02357	0.9
248.01927	6.6
249.12344	54.2
250.12599	0.9
254.04478	1.0
260.09201	3.3
260.11847	0.9
262.03510	2.2
268.06052	21.9
269.06802	2.9
271.06055	3.8
272.06357	3.1
273.07266	7.2
277.11847	6.6
285.08676	16.6
286.06891	7.7
286.09711	1.5
287.07791	2.7
300.08643	6.2
313.08118	2.0
314.06479	0.8
328.08163	18.1
331.09161	1.6
345.10806	100.0
346.11197	4.0
363.11862	38.8
363.94305	0.7
364.12222	1.2
449.17142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57055	0.7
53.07400	0.7
55.05508	3.6
55.47710	0.7
56.01111	0.7
57.07062	0.8
61.81866	0.6
62.86599	0.8
67.05489	4.1
69.03426	6.8
69.07047	1.2
70.03777	1.6
72.17375	0.7
72.45762	0.6
73.22283	0.7
79.05479	3.1
81.03406	3.4
81.07056	5.9
83.04968	5.9
83.08598	1.1
88.07603	1.3
91.05472	4.2
93.07045	5.0
95.04962	2.7
95.08606	5.3
98.98386	0.8
105.07024	7.3
107.08581	4.4
109.06463	1.7
109.10147	2.1
111.04450	8.6
113.00007	100.0
117.07004	1.5
119.08560	7.9
121.10138	3.1
123.08117	1.0
127.01550	5.0
128.06223	0.9
129.06979	1.9
131.01016	1.9
131.08553	4.4
133.10092	4.8
135.08073	1.2
135.11650	1.9
141.06946	1.2
142.07811	2.0
143.08543	3.2
145.06442	0.7
145.10114	8.0
147.08014	0.9
147.11627	1.5
149.02333	3.0
155.07240	0.7
155.08540	1.7
156.09276	1.2
157.10106	4.8
158.10930	1.2
159.11714	6.1
161.09659	1.0
161.13226	1.7
164.77672	0.7
167.08548	1.4
169.10127	3.1
171.11722	3.1
173.13269	1.7
175.14865	1.7
177.16339	1.4
181.10117	2.3
182.10884	1.1
183.11690	2.6
185.09494	0.9
185.13232	3.3
187.14787	13.8
192.45224	0.8
192.96559	0.9
193.04964	4.4
193.10056	1.4
194.10883	1.0
195.11717	2.2
196.12349	0.8
197.13243	4.0
199.14885	1.2
203.14238	1.9
205.15854	8.5
206.98181	4.8
207.11714	0.9
209.13391	1.7
215.14253	1.5
224.99210	2.1
225.16383	1.3
235.14973	1.2
237.16501	0.9
251.18034	1.7
253.11922	0.9
253.15775	1.1
269.18997	2.3
279.17477	1.6
280.98062	6.1
284.29407	1.9
287.05502	2.6
297.18326	4.9
313.17844	5.5
337.04382	2.3
402.94693	0.9
434.31351	0.8
450.31912	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	449.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.8
57.03432	11.7
57.07073	3.5
67.05505	35.6
69.07071	22.0
69.32317	13.5
79.05486	12.1
81.07051	36.9
81.26514	2.3
81.98837	2.5
83.08600	12.6
91.05474	5.6
93.07037	10.0
95.08595	35.7
97.06504	2.1
97.10165	3.0
98.98460	4.3
104.85793	2.6
105.07003	4.7
107.08577	5.9
109.10148	11.0
113.00009	94.4
119.08554	4.4
121.10167	4.0
123.11692	6.5
133.10129	4.2
155.01059	3.3
155.83307	2.3
169.02612	29.2
187.03651	6.3
245.22641	5.2
263.23654	7.3
273.06549	5.4
337.23315	5.3
337.27332	100.0
338.27783	4.5
465.83368	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	449.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54931	1.9
54.13527	1.8
55.05506	5.4
57.07065	3.0
67.05501	9.4
67.26521	2.0
69.07057	3.7
71.43206	2.2
79.05499	5.7
81.07047	8.6
83.04987	6.2
83.08594	3.2
91.05470	5.6
93.07047	9.0
95.04964	5.4
95.08607	7.2
98.98475	10.2
105.07035	9.6
107.08594	9.9
109.06527	2.7
109.10155	6.7
113.00005	52.2
117.06996	3.2
119.08591	9.0
121.10143	5.5
124.03975	2.4
127.01557	100.0
131.08563	5.9
133.10136	9.4
135.08041	2.3
135.11699	3.2
143.08527	3.4
145.10068	4.6
147.11667	4.3
152.95740	2.0
156.09366	3.4
157.10098	2.6
159.08070	2.6
159.11714	4.7
161.13275	5.7
171.11667	4.3
173.13307	4.4
193.04965	3.3
197.13213	2.7
206.98199	6.8
221.13235	2.3
244.75092	2.1
262.78348	2.1
280.98145	3.1
287.05347	2.3
299.19965	2.7
313.17944	6.7
337.64572	2.3
369.19479	5.8
436.75833	2.7
449.15570	3.2
449.28540	8.3
450.25143	2.5
450.31775	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	449.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23518	1.0
66.45996	1.0
67.05504	1.3
69.96707	2.2
69.97075	2.4
79.10313	1.0
81.07072	3.1
83.04968	2.3
93.07007	1.6
95.04972	1.8
98.98455	3.0
101.19190	1.0
105.07025	1.8
109.10148	1.1
113.00014	53.2
119.08588	1.2
127.01563	100.0
140.32462	0.9
151.43239	1.3
164.44916	1.1
206.00983	1.3
206.98160	5.0
280.98212	7.9
317.14258	1.1
337.04318	2.8
337.54810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	1.8
60.12915	1.1
69.48355	3.2
69.48755	2.2
69.96566	1.0
70.06567	1.1
71.85594	1.1
81.07047	2.0
83.04980	1.7
84.33979	1.1
91.05453	1.2
95.01357	2.4
97.99014	1.0
107.04939	1.2
109.06512	1.5
119.04913	1.1
121.02852	2.2
122.03613	1.5
131.04933	1.2
137.05963	100.0
140.03406	18.6
168.02910	97.8
169.03259	2.7
179.06998	16.6
272.09134	95.5
273.09518	3.5
338.02725	2.4
393.08545	1.5
394.08856	3.0
424.30347	1.5
427.03607	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92438	0.4
56.15300	0.6
59.68973	0.5
61.10632	0.4
67.65372	0.4
68.41402	0.5
70.16824	1.0
91.05485	2.9
95.01324	1.2
95.04964	0.6
98.18571	0.4
98.22792	0.4
103.05457	10.9
107.04921	1.2
112.03960	1.6
121.02848	0.6
122.03676	0.7
131.04916	2.0
137.05965	35.5
138.06305	1.1
140.03415	16.2
147.04396	19.6
148.04704	0.7
168.02905	97.1
169.03227	1.2
175.75095	0.5
179.07022	8.1
230.08029	1.2
238.90271	0.5
272.09137	100.0
273.09460	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	450.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27425	0.4
63.66084	0.4
70.56853	0.5
72.71982	0.4
91.05470	3.1
95.01302	1.6
95.04949	0.5
98.23427	0.9
103.05463	11.6
107.04948	1.0
112.03952	1.3
122.03611	0.8
131.04884	1.3
137.05969	35.3
138.06313	0.8
140.03416	17.6
147.04402	20.3
168.02913	96.1
169.03250	1.9
179.07028	7.1
200.23819	0.4
230.08096	1.4
272.09152	100.0
273.09488	3.4
337.34375	0.4
340.30054	0.4
454.05865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89209	0.2
52.72334	0.2
53.03936	0.7
55.01869	1.1
57.03431	0.6
61.02911	0.4
68.99762	0.5
69.03429	2.7
71.04974	0.5
73.02903	0.6
77.03922	0.3
78.04704	2.1
79.05490	0.6
81.03414	2.8
81.45107	0.2
85.02903	5.2
87.00822	2.6
91.03932	0.2
94.85076	0.3
95.04972	0.5
96.05748	0.3
97.02885	2.7
98.06005	0.2
98.45729	0.2
99.04446	0.8
105.01859	1.0
106.04162	1.4
107.04967	0.2
108.04475	1.3
109.02879	2.8
117.01876	0.3
123.04427	4.8
124.05203	1.4
126.05508	0.7
127.03907	3.5
129.01854	0.4
134.03616	0.7
135.04408	0.3
135.62402	0.2
140.04671	0.3
145.04932	1.1
148.64746	0.3
151.03900	1.1
152.04695	1.4
159.02876	1.2
167.07028	100.0
168.04062	0.2
168.07376	2.7
230.06592	0.4
231.04950	0.4
248.07629	0.8
250.80644	0.3
261.12607	0.3
288.05933	0.3
450.19763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14595	0.6
53.03941	1.8
55.01863	2.3
55.05515	4.0
56.02108	0.5
57.03447	1.0
57.10032	0.6
58.99580	4.7
59.95455	0.6
61.01149	3.5
65.03945	1.5
67.05500	5.9
69.03430	12.3
69.07066	1.5
69.08955	4.5
70.02937	0.8
71.01367	1.1
73.01135	0.9
74.00661	4.4
79.05498	6.7
81.03414	14.2
81.07050	5.6
83.04982	7.7
85.01144	1.2
85.02924	0.6
85.06540	1.2
86.00652	2.7
86.99052	1.5
87.02679	0.8
88.02211	29.0
88.03994	5.8
89.00603	3.4
91.05480	8.3
93.07040	7.3
94.06577	0.8
95.04966	6.9
95.08590	4.6
97.01054	0.8
97.06573	0.8
98.00674	1.1
99.02679	1.0
99.04449	0.6
100.02190	6.3
101.00607	2.6
103.05377	0.7
105.07026	11.1
107.04959	5.3
107.08598	6.1
109.02882	2.8
109.06509	4.2
109.10143	1.4
109.58590	0.6
111.02690	0.9
111.04446	4.6
111.08041	0.8
112.02193	4.1
113.00568	1.5
113.06040	3.3
114.03754	2.4
115.02149	1.7
115.05479	1.6
116.00844	1.1
116.01669	21.3
117.07029	6.9
119.04944	1.0
119.08575	12.5
120.01148	1.0
121.06506	2.8
121.10120	2.8
122.02721	0.6
123.04437	1.3
123.08051	2.1
126.03738	2.8
127.02155	1.1
128.01741	0.6
128.06265	2.8
129.07004	5.0
129.21402	0.7
130.03178	1.4
130.07800	1.0
131.04941	2.0
131.08566	9.5
132.01163	4.3
133.06517	3.2
133.10104	4.4
133.71117	0.7
134.02734	2.2
135.04437	0.6
135.08043	2.0
135.11710	0.9
137.05960	2.4
137.09573	1.3
138.03697	1.6
138.05502	9.2
139.02119	0.9
140.05305	1.3
141.06972	2.3
142.07780	4.3
143.07465	0.8
143.08569	9.2
144.09279	1.1
145.01970	0.7
145.06467	3.6
145.10120	9.2
146.02718	4.5
147.02628	1.3
147.08061	3.0
147.11678	2.4
149.04170	0.7
149.09613	1.2
153.05495	1.0
153.07011	1.4
154.07768	0.9
155.08539	5.4
156.09360	2.0
157.06494	1.3
157.10118	11.2
158.02673	3.3
158.07281	1.1
158.10852	1.0
159.08066	4.5
159.11687	10.6
160.04294	1.3
161.09624	3.6
161.13266	4.0
162.02191	9.3
163.07574	0.6
163.11177	5.4
165.07060	2.2
165.09128	1.7
166.07816	1.4
167.08586	3.0
168.09322	3.5
169.06509	0.7
169.10109	5.1
171.08025	2.1
171.11678	3.7
172.04274	1.8
173.04356	0.7
173.06015	0.9
173.09598	3.9
173.13257	3.6
175.05817	0.8
175.07492	0.8
175.11147	2.2
177.09192	0.8
178.07805	0.9
179.08534	2.7
180.09276	1.3
181.10132	4.8
182.10925	1.5
183.08092	1.2
183.11679	7.6
184.04260	1.7
184.12450	0.8
185.09641	2.5
185.13228	3.6
187.05865	0.7
187.07532	0.9
187.11185	6.3
189.07281	0.8
191.08823	2.0
192.09288	1.3
193.06662	0.6
193.10117	3.1
194.10962	1.6
195.08078	1.7
195.11650	3.1
196.08780	0.9
197.09641	1.1
197.13335	1.5
199.11142	3.0
201.12740	4.5
203.14322	1.1
205.10249	1.2
206.10902	1.0
207.11664	2.4
208.12427	1.1
209.13264	2.7
211.11174	3.3
211.14853	0.8
213.12749	1.4
215.08908	2.3
217.10382	1.6
217.12273	0.9
219.11636	1.0
221.06168	0.8
221.13280	1.2
223.11206	1.2
223.14821	0.8
225.12817	1.7
227.14282	1.3
229.12247	1.4
233.09862	2.2
235.11259	1.4
235.14847	1.1
237.12735	1.4
239.08804	0.6
239.14354	0.7
253.15720	0.8
255.13823	3.2
258.13177	0.7
265.15842	1.0
266.08514	0.8
267.13724	1.1
271.12817	0.7
273.14847	14.6
274.15213	0.8
286.09033	0.7
293.15268	1.9
304.13632	2.5
306.15234	1.0
311.16403	1.7
311.70041	0.7
322.14563	1.1
324.14178	0.7
325.12415	1.0
342.15497	0.8
343.13654	4.0
344.14600	0.7
351.14163	0.8
368.16785	2.2
370.18524	0.8
386.17877	6.7
387.16183	2.1
404.18695	1.4
414.17294	13.9
415.15848	1.8
432.18375	100.0
433.18723	7.7
450.19449	40.7
450.24435	0.4
451.19659	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05733	0.5
51.98965	0.7
53.03933	1.6
55.01851	2.4
55.05508	4.8
57.03426	0.8
58.99575	3.8
61.01143	3.2
62.57066	0.5
65.03934	2.1
65.08362	0.6
67.05496	5.6
68.05006	1.1
69.03422	13.1
69.07039	2.0
73.01131	0.9
73.02906	0.9
74.00655	4.2
76.02222	0.6
79.05481	6.9
80.05023	0.7
81.03407	14.6
81.07054	6.1
82.06573	0.6
83.04975	7.1
84.98140	0.5
85.01109	1.8
85.06516	0.8
86.00634	3.7
86.99026	1.9
87.02650	0.8
88.02205	33.4
88.03976	5.5
89.00613	3.9
89.06026	1.5
91.05471	10.8
93.07032	5.8
95.04958	6.3
95.08614	5.3
97.01115	1.3
97.06503	0.7
98.00646	0.7
98.23434	1.3
99.02626	0.8
100.02177	7.1
101.00580	2.1
102.03750	0.8
103.05450	1.4
105.00032	0.7
105.04520	0.8
105.07017	10.5
107.04935	5.1
107.08583	7.6
109.02842	1.8
109.06499	4.7
109.10080	1.1
110.05996	0.5
111.02673	0.9
111.04430	5.0
112.02184	4.1
113.00562	1.7
113.05967	2.5
114.03728	2.5
115.02143	2.1
115.05393	1.6
116.01661	21.9
117.00063	1.2
117.07003	6.9
119.04913	1.0
119.08568	11.4
120.01115	0.7
121.06482	2.6
121.10133	3.4
122.02702	0.7
123.04421	1.3
123.08075	1.9
126.03719	2.7
127.02085	1.1
128.06213	2.7
129.06990	4.8
130.03194	1.2
130.07774	1.4
131.01620	0.6
131.04916	1.7
131.08545	7.9
132.01135	4.4
133.06473	3.3
133.10109	6.7
134.02695	2.5
135.08035	2.4
135.11644	0.6
137.04123	0.7
137.05959	2.5
137.09604	1.2
138.03659	0.9
140.05270	1.6
141.06956	3.4
142.07774	5.3
143.08537	7.8
144.09311	1.6
145.01869	0.8
145.06471	4.0
145.10107	9.8
146.02670	5.1
147.02614	0.9
147.08037	4.1
147.11624	2.7
149.04198	1.2
149.05959	1.1
149.09602	2.2
153.03603	0.7
153.06960	1.6
155.08534	5.3
156.09299	3.1
157.06552	1.1
157.10100	13.4
158.02673	3.8
158.07242	1.1
159.08011	5.0
159.11670	9.4
160.04344	1.0
161.09671	2.8
161.13239	5.7
162.02184	9.4
163.02167	0.8
163.11124	4.9
165.07011	1.9
165.09126	2.5
165.12729	0.8
166.07759	1.3
167.08589	3.0
168.09322	3.8
169.06450	0.8
169.10107	5.4
170.07248	0.7
170.10896	0.7
171.08032	2.1
171.11716	5.1
172.04256	3.0
172.08687	0.8
173.09621	4.8
173.13268	2.1
174.02226	0.6
174.10408	0.8
175.05708	0.7
175.11166	2.3
176.05325	0.6
177.03642	0.6
177.09114	1.0
178.07721	0.7
179.05309	0.7
179.08501	2.9
180.09280	1.0
181.06436	0.7
181.10085	4.5
182.02763	0.7
182.10878	1.4
183.08096	2.1
183.11673	9.6
184.04248	1.0
184.08823	0.6
185.09566	3.1
185.13176	3.5
187.04163	0.6
187.05768	1.0
187.11169	5.3
188.11998	0.8
191.05243	0.7
191.08716	1.2
191.10672	0.8
192.09288	1.9
193.10165	3.5
193.11864	0.6
194.10860	1.9
195.08058	1.0
195.11705	2.2
196.04175	0.9
196.08807	0.9
197.09583	1.2
197.13260	2.4
199.07477	0.7
199.11058	3.2
199.14743	0.8
201.12744	3.6
203.05318	0.9
203.08688	1.2
203.10649	0.9
203.14307	1.7
205.10219	1.5
206.10835	1.1
207.11670	3.5
209.09583	1.3
209.13184	3.2
211.11172	2.2
213.07344	1.2
213.09209	0.7
213.12778	1.1
215.08850	1.5
215.14378	0.7
217.10309	1.2
221.13338	1.0
223.11169	0.6
223.14850	0.7
225.12688	1.7
227.14372	1.6
229.12230	0.9
231.11789	0.7
233.10028	4.1
235.11356	1.2
237.12808	1.2
237.16216	0.9
251.14241	1.0
253.14304	1.6
255.13823	3.4
257.15259	0.7
258.13181	0.6
259.11447	0.6
271.16733	0.6
273.14813	16.6
283.16934	1.6
293.15402	2.1
301.08871	0.6
304.13712	2.7
311.16428	2.2
322.14676	0.8
325.12476	1.6
340.17126	0.7
343.13434	3.7
361.14493	1.1
368.16833	1.9
369.14844	1.3
372.12585	0.7
386.17819	7.0
387.16318	2.2
396.16150	1.1
404.18961	2.4
414.17197	14.5
414.22263	1.2
415.17065	1.7
432.18344	100.0
433.18570	8.0
450.19397	41.1
451.19754	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	450.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01866	3.4
55.05502	10.0
57.07071	1.7
58.99591	2.6
67.05498	15.7
68.05012	2.5
68.22555	1.2
69.03425	91.4
69.07057	4.5
69.54362	1.3
70.03754	2.7
70.99570	3.0
71.04986	1.9
73.34814	1.1
73.36723	1.2
74.09188	1.0
79.05490	5.7
81.03407	2.9
81.07058	6.7
82.06582	1.5
83.04976	40.2
85.01120	2.7
88.02218	3.3
88.04008	2.6
91.05473	9.1
93.07040	7.8
95.04970	8.5
95.08597	6.8
97.01099	3.0
97.06535	6.2
102.04948	1.3
105.07024	15.1
107.04972	1.8
107.08575	9.2
109.06503	3.6
109.10201	2.6
111.02660	2.2
111.04455	2.0
111.08086	1.7
112.02200	11.7
112.04084	1.2
113.05994	66.7
114.03768	2.6
114.05497	1.5
115.05478	2.1
115.07539	2.3
116.01659	3.6
117.07001	3.9
119.04990	1.3
119.08579	10.6
121.06471	3.1
121.10123	3.7
123.08073	3.1
123.11731	2.3
124.02213	2.4
124.03954	1.6
125.06029	1.4
126.03748	5.5
127.07513	1.3
128.06229	3.6
129.07016	8.2
130.03238	1.4
130.07736	2.4
131.04968	1.3
131.08549	8.7
132.22079	1.2
133.06535	1.7
133.10097	9.5
135.08067	3.4
135.11696	2.8
137.05995	1.4
137.09569	1.5
138.03752	2.3
138.05505	11.8
139.05840	5.2
139.07544	2.4
141.07036	3.4
142.03218	2.7
142.07774	5.4
143.08568	7.6
144.09308	1.7
145.06477	3.5
145.10086	10.8
145.91663	1.3
146.10416	1.4
147.08017	3.4
147.11639	1.9
149.04175	2.6
149.09602	4.5
150.03706	2.2
150.09059	1.4
152.01666	3.1
152.05229	1.8
153.07014	2.2
154.03238	1.6
155.08543	5.7
156.01118	2.1
156.09332	4.2
157.10101	11.5
158.02716	3.0
158.12958	1.2
159.08049	3.0
159.11691	7.9
161.04140	1.6
161.09613	14.4
162.03754	2.9
163.03996	1.3
163.05710	1.8
163.11154	10.1
164.05281	1.5
165.07085	3.6
166.07701	1.4
167.08537	3.7
167.10712	3.6
168.09343	3.0
169.10124	8.1
170.02740	2.2
170.10942	2.0
171.08018	2.3
171.11705	7.3
173.09602	2.9
173.13260	3.4
175.05814	2.6
175.11217	4.5
176.03857	8.3
176.05206	2.0
179.08549	3.1
181.10083	7.3
182.02751	2.2
182.10846	2.4
183.07993	1.6
183.11679	8.4
184.12518	1.6
185.09579	2.2
185.13278	2.7
187.11214	6.4
188.05257	1.7
189.07352	1.7
190.06804	2.1
192.09308	1.5
193.10173	4.7
195.11748	3.6
197.13252	2.3
198.04950	1.4
199.05762	2.4
199.14928	1.5
201.12701	1.8
204.08324	1.3
206.10985	2.2
207.11720	2.6
209.13266	3.4
211.11232	1.9
211.14783	2.4
213.07410	1.6
213.12677	2.2
215.08954	2.3
221.13306	3.3
224.14252	1.6
225.07542	1.4
228.08336	2.1
230.10109	1.7
231.08369	1.8
233.09962	2.1
233.13232	1.5
234.10358	1.8
239.14281	1.9
242.10013	2.2
248.11018	1.5
252.08464	1.6
255.13852	2.3
256.11411	1.5
257.15332	6.8
258.13129	4.6
273.14890	4.3
274.12552	2.4
274.15390	1.9
275.16400	8.7
276.14240	2.0
287.05515	2.7
288.05887	4.8
295.16733	1.8
300.10641	2.7
300.14133	2.5
302.12228	3.0
318.11560	2.9
320.13144	13.0
321.13803	1.9
327.14154	2.2
329.15659	1.5
338.14163	16.8
338.21066	2.0
340.17337	1.6
345.15253	2.5
352.17294	3.2
362.17786	3.2
368.16641	3.4
370.18237	7.9
386.17871	1.8
388.19427	9.7
396.16034	3.8
414.17242	15.1
432.18417	48.2
433.18729	3.5
450.19449	100.0
451.19876	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	450.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01867	2.1
55.05508	4.5
57.03430	1.3
58.99571	4.7
61.01141	3.8
65.03947	1.1
67.05132	1.1
67.05482	5.9
69.03425	15.8
69.07053	2.0
69.59380	3.4
70.06625	0.8
71.01345	0.8
73.02913	0.9
74.00659	3.8
79.05486	6.5
80.05000	1.0
81.03412	13.2
81.07049	6.7
82.06555	1.0
83.04974	8.2
85.01108	1.5
85.02888	1.5
85.06572	1.2
86.00647	3.3
86.09669	1.0
86.99056	1.4
87.02688	0.9
88.02212	27.5
88.03988	4.8
89.00636	4.7
91.05473	8.5
93.07045	7.3
93.75777	0.8
95.04971	8.3
95.08598	5.2
97.01124	0.8
97.06516	1.8
99.02692	1.3
100.02203	6.6
101.00582	1.5
103.05466	1.2
105.00054	1.1
105.07019	12.4
107.04950	5.0
107.08574	4.8
109.02870	2.6
109.06516	3.5
109.10142	2.2
111.04429	5.9
112.02157	4.6
113.00573	1.4
113.06004	3.5
114.03735	1.9
115.02170	2.4
115.05458	1.9
116.01666	19.9
117.00108	1.1
117.07000	7.2
119.04934	2.0
119.08576	13.3
121.06493	3.0
121.10131	3.1
122.02747	1.0
123.04457	1.6
123.08080	2.1
126.03747	2.5
127.02148	1.3
128.06238	2.6
129.07018	4.9
130.07852	1.7
131.04958	1.7
131.08543	8.6
132.01117	4.2
132.99565	1.0
133.06488	2.8
133.10133	5.4
134.02718	1.9
135.04350	0.8
135.08105	2.2
137.05989	3.0
137.09737	0.9
138.03741	1.4
140.05280	1.2
141.06999	3.1
142.07759	3.8
143.08554	8.5
145.01953	0.9
145.06451	4.7
145.10126	9.2
146.02663	3.8
147.02779	0.9
147.08064	3.2
147.11702	2.4
149.09630	1.3
153.07007	1.5
155.08543	4.7
156.09348	3.3
157.06514	1.1
157.10132	11.7
158.02711	2.8
158.10866	0.9
159.08049	4.3
159.11719	9.3
160.04300	2.3
161.09641	4.7
161.13225	3.8
162.02184	10.1
163.02238	1.2
163.11185	4.5
164.05310	0.8
165.07004	2.0
165.09132	1.4
167.08589	2.5
168.09399	3.8
169.06514	1.1
169.10115	4.9
171.08073	1.7
171.11674	4.7
172.04297	3.1
173.04242	0.9
173.09575	4.4
173.13245	3.0
175.11200	3.3
179.08575	2.8
180.09302	0.9
181.10065	3.8
182.10829	1.7
183.08072	1.8
183.11697	8.1
185.09663	3.9
185.13293	3.4
186.05893	1.0
187.11148	6.3
189.07379	1.2
189.12729	1.2
191.08780	2.3
193.10165	3.1
194.10902	1.2
195.11694	2.7
196.04205	1.3
197.09610	1.3
197.13280	1.8
199.11206	2.7
201.12781	3.2
203.14339	1.1
205.10187	1.1
207.11685	2.6
209.13280	3.0
211.11227	2.3
211.14859	0.8
213.07301	1.2
213.09186	1.3
215.08824	2.3
221.13254	1.2
225.12662	1.8
227.14236	1.0
229.12265	1.2
233.09929	4.0
235.11337	1.2
237.12823	2.0
255.13702	3.8
259.11472	0.9
265.12653	1.0
265.15967	1.3
269.15445	1.5
271.13181	1.2
273.14850	16.3
274.15323	1.1
287.05484	4.8
288.05780	12.0
293.15460	2.0
304.13669	2.6
311.16382	1.7
322.14767	1.6
325.12650	1.7
342.15082	1.3
343.13791	3.1
361.14676	1.4
368.16681	2.2
386.17902	5.1
387.16510	1.9
396.16211	1.7
404.18832	2.7
414.17322	13.5
415.17621	0.8
422.37030	0.9
432.18378	100.0
433.18576	7.1
450.19443	41.8
450.24435	1.1
450.29062	1.1
451.19434	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05499	5.7
56.93222	3.6
67.05495	36.5
68.99783	3.9
69.03423	19.5
70.06593	8.6
74.34684	3.5
79.05489	44.7
81.03407	12.4
81.07049	8.0
81.56876	3.4
83.04978	11.3
84.05628	4.6
84.08127	4.9
85.02908	9.6
86.09704	7.3
88.02211	27.0
88.03976	3.4
91.05466	24.6
91.33504	3.1
93.07039	33.5
95.04970	9.9
95.08596	7.4
97.02901	7.8
99.04464	3.7
100.02194	4.7
103.05462	3.9
105.01906	5.9
105.07021	23.7
106.02882	8.5
107.04944	6.3
107.08590	64.8
107.09264	5.8
109.02876	7.2
109.06506	7.1
111.04450	4.0
112.02129	4.1
116.01667	21.7
117.07017	6.1
119.08576	17.2
120.08140	6.9
121.02850	4.2
121.06529	5.3
121.10141	43.8
123.08086	5.8
124.03934	8.6
126.01063	7.7
127.02035	4.7
127.03962	6.0
128.06116	3.5
129.06996	7.4
131.08540	38.1
133.06454	4.7
133.10167	4.1
137.02370	29.1
137.03302	6.4
137.05974	3.7
137.31552	3.1
138.02669	9.8
142.07809	6.3
143.08563	9.3
145.10144	13.6
146.02730	4.6
149.05972	4.3
149.09593	65.5
155.08565	7.3
157.10069	11.8
159.02863	4.2
159.08075	4.2
159.11714	14.1
161.09593	4.8
162.02240	6.1
163.11195	9.6
167.10666	87.2
168.09430	3.7
171.11687	5.2
173.09578	5.5
181.10062	4.7
183.11665	6.6
187.11133	6.0
196.04295	3.5
201.12785	4.8
207.04337	16.0
209.05913	14.7
209.13177	4.5
211.11229	7.1
225.05444	9.3
253.77730	4.2
254.04321	6.5
255.13582	3.9
256.06757	4.7
271.06027	4.4
272.06262	4.8
273.14835	18.1
284.10010	10.4
287.05484	7.4
288.05905	19.6
293.15448	3.9
300.09302	5.2
304.13705	5.0
311.16226	4.1
342.10095	4.1
343.13733	5.9
371.60733	3.5
372.11557	5.3
381.04242	3.5
386.18057	5.6
388.14624	8.0
400.11111	14.3
414.17245	16.0
415.16666	4.6
418.12006	8.6
432.14175	9.8
432.18539	100.0
433.18866	9.6
450.14166	18.2
450.19363	42.1
450.28745	7.2
451.19644	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	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01864	2.1
57.03438	6.4
61.02927	8.7
69.03428	16.4
69.08854	5.9
69.09262	1.7
71.04991	2.5
73.02900	4.2
81.03413	5.8
85.02899	100.0
87.04446	1.3
91.03950	4.9
91.05475	79.0
92.05790	2.6
97.02888	36.3
99.04438	4.2
101.02365	1.0
103.03960	1.4
109.02895	7.2
115.03924	3.2
126.80752	0.9
126.91350	1.1
127.00070	0.9
127.03912	24.9
133.06494	1.4
145.04948	39.9
151.03914	2.0
152.04228	1.2
161.04408	2.2
163.04671	1.3
163.06010	22.3
217.08615	2.6
235.09705	1.6
253.10832	1.9
362.14713	1.1
392.86581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	28.1
59.05005	4.7
61.02926	3.3
69.03068	4.9
69.03427	82.6
69.99121	7.0
81.03400	4.0
85.02899	82.3
87.04462	50.9
91.05481	8.6
97.02891	69.6
109.02902	4.1
115.03924	88.9
117.07008	9.0
121.06503	29.1
127.03899	12.8
133.04955	100.0
145.05011	15.6
145.06487	31.1
150.07588	15.5
159.08058	3.2
163.06236	6.2
163.07539	21.5
169.05040	2.6
175.07565	14.6
187.07539	9.4
205.08662	6.8
217.08577	20.2
218.16235	2.5
229.08690	5.8
235.09712	6.7
247.09770	3.2
265.10501	4.5
277.08923	3.3
295.10193	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	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01869	3.3
57.03440	4.7
61.02931	8.2
65.03931	2.4
69.03427	16.4
70.06577	1.4
70.68015	0.9
71.04980	2.7
71.40792	1.3
73.02907	4.3
81.03408	6.4
85.02905	100.0
87.04461	2.0
89.06590	1.2
91.03937	4.1
91.05480	82.6
92.05812	1.3
97.02895	35.0
99.04457	3.5
100.51821	1.0
103.03909	1.6
103.97080	0.9
105.03391	2.1
105.19716	0.9
109.02891	7.6
115.03923	2.8
120.04462	1.6
127.03922	22.0
133.06517	1.4
143.08490	1.1
145.04962	45.6
147.04379	1.2
151.03932	8.3
152.04309	4.6
157.06487	1.2
161.04524	1.7
163.06020	19.4
164.06508	0.9
171.08083	2.0
180.06570	6.8
191.03476	0.9
202.08565	1.8
212.09210	6.9
213.42444	1.0
217.08577	2.6
230.10246	4.1
235.09702	2.3
253.10826	1.9
325.11353	2.0
433.84891	1.0
448.82965	1.0
450.14624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31607	0.5
59.05000	0.7
66.92742	0.4
67.56383	0.4
69.09825	1.1
69.10246	1.9
75.03580	0.4
77.76860	0.4
81.03429	0.6
87.04467	100.0
88.04813	0.9
89.06021	3.1
91.05482	0.5
95.08593	0.5
98.22662	0.6
103.07582	0.8
107.08588	0.7
111.04443	0.9
113.00031	0.7
119.26615	0.3
120.08120	1.8
127.01569	8.6
127.94303	0.4
130.63625	0.4
131.07036	3.2
133.08600	1.9
133.10133	0.8
138.14613	0.5
138.15887	0.5
139.01534	2.5
147.04434	1.0
153.03085	7.4
167.10785	0.5
175.07541	0.5
175.09671	0.5
177.11203	0.7
183.04170	1.0
197.05724	3.4
219.12228	3.5
253.14423	0.8
259.09467	0.5
287.05453	1.7
288.05826	4.7
291.15875	0.6
295.05856	0.4
347.14697	1.1
372.56137	0.5
391.17331	1.3
432.18335	1.0
433.18176	2.7
450.19449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40072	0.6
55.01868	0.8
55.05502	1.5
67.05490	2.6
69.03422	1.0
69.07057	2.0
69.91489	1.5
69.91850	1.4
70.06577	0.7
70.40143	0.7
70.83158	0.6
71.01791	0.6
74.88120	0.7
79.05472	2.7
81.03412	2.1
81.07043	4.1
83.08606	0.8
88.07599	0.9
91.05465	4.2
93.07034	3.0
95.04966	4.7
95.08609	5.2
95.28932	0.8
96.04482	8.6
97.02870	2.1
97.06535	1.0
97.07159	0.7
98.00160	0.7
98.23379	0.7
100.75398	0.7
102.09216	1.1
103.05449	0.7
105.03379	1.1
105.07030	8.6
107.04954	1.3
107.08586	3.9
109.06509	3.3
109.10127	1.9
113.00013	3.0
117.06996	1.5
119.08566	16.3
119.09414	0.9
121.06478	2.1
121.10148	2.8
121.29073	0.7
123.07990	1.0
125.05946	0.9
129.06993	2.0
130.07765	1.0
131.08536	4.0
133.06473	2.1
133.10138	5.0
135.08014	2.0
137.05923	1.3
137.09599	0.8
141.06989	1.9
142.07788	1.5
143.08582	4.7
145.10133	4.7
147.08072	0.9
147.11678	12.8
148.11951	0.9
149.02312	5.4
149.09618	1.0
153.05539	1.5
153.06813	1.0
155.08569	3.7
156.09296	2.2
157.10100	8.8
158.10675	0.7
159.08031	1.3
159.11668	5.0
161.09572	1.8
161.13303	1.1
165.05579	1.4
165.06911	1.3
167.08580	1.3
168.09343	1.9
169.10132	8.3
170.10854	1.0
171.11694	6.0
173.09576	1.9
173.13251	2.2
174.13921	0.7
175.11159	2.5
177.09065	0.7
179.07086	1.3
179.08546	1.5
180.09319	1.2
181.10136	3.9
182.10826	1.8
183.08043	0.7
183.11711	7.6
184.12384	1.4
185.09613	1.1
185.13226	1.6
187.11189	1.9
187.14755	0.9
189.12770	2.6
191.07079	1.6
192.09261	0.8
193.04938	5.3
193.10130	2.4
194.10931	1.4
195.11652	4.1
196.12492	4.1
197.09608	1.2
197.13258	3.0
199.11150	1.4
199.14903	3.2
201.09082	1.8
205.08540	0.9
207.11638	3.1
208.12305	1.1
209.13203	5.1
210.14011	2.0
211.11218	2.0
211.14789	7.5
213.12727	1.2
213.16350	1.1
215.10649	1.9
217.15680	0.9
220.12523	1.3
221.13177	1.4
223.14792	1.2
225.12769	1.1
225.16341	8.2
231.10114	1.4
234.14197	0.7
235.14713	3.3
237.16154	1.5
239.14320	1.3
241.12125	0.8
249.16437	1.9
253.15825	8.5
255.13789	2.0
267.17422	2.9
270.16138	1.0
271.16928	12.1
284.29514	2.3
285.18420	1.6
287.20102	0.9
295.16879	5.6
299.19971	1.6
313.17947	100.0
314.18292	6.8
317.21075	1.3
450.24854	17.1
450.31900	5.3
451.25201	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	450.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.3
53.03926	0.4
57.07072	0.9
69.16353	0.2
71.08617	0.5
77.03925	0.6
79.05478	4.3
81.07056	0.7
85.10169	0.3
87.04455	61.1
88.04789	0.9
89.06018	1.6
91.05477	1.0
93.07024	0.8
95.04948	2.1
95.08588	0.7
103.05440	3.6
104.56882	0.2
105.07014	100.0
106.07347	2.2
107.08589	0.5
109.10151	0.5
119.08581	0.6
121.06465	0.6
129.06989	0.3
131.08574	0.3
133.08574	0.5
135.11636	0.3
136.99985	0.3
145.10112	0.3
147.08005	1.8
149.09625	0.7
164.00328	0.2
165.09042	0.3
176.71797	0.2
180.49969	0.2
207.48950	0.3
209.13232	1.5
223.11151	0.8
225.11163	6.4
225.13158	0.5
233.54082	0.3
251.14565	0.5
288.08047	0.3
329.17499	0.6
450.26843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
55.05498	0.3
57.07073	1.9
61.10910	0.2
71.08627	1.3
73.06563	0.2
77.03933	0.5
79.05479	3.6
83.60604	0.2
84.07053	0.2
85.10160	0.6
87.04459	63.9
88.04796	0.5
89.06019	4.1
91.05460	0.6
95.04977	1.7
95.05496	0.3
98.98445	0.3
103.05453	2.6
105.07019	100.0
106.07354	1.9
119.08596	0.5
121.06508	0.5
129.06990	0.6
131.08597	0.4
133.08589	1.5
135.08009	0.2
135.22144	0.2
136.65878	0.2
147.08049	2.6
149.09607	0.7
155.01021	0.2
177.11211	0.5
191.10597	0.4
209.13116	1.1
222.10481	0.2
223.11171	0.5
225.11142	7.5
225.13130	0.5
251.14374	0.7
329.17319	0.9
450.26239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05529	3.0
55.01852	2.5
55.05508	17.4
57.07056	6.2
65.03927	4.0
67.05505	33.3
69.07066	38.0
70.06594	3.1
70.51070	5.8
79.05487	19.2
81.03429	3.4
81.07050	50.5
83.04968	5.4
83.08591	9.6
85.06527	4.6
91.05479	26.7
93.07039	35.9
95.04953	8.0
95.08029	5.4
95.08604	69.7
97.02872	6.0
97.06524	7.4
97.10111	3.5
105.07024	54.7
107.08583	38.1
109.06524	4.8
109.10153	67.5
111.04432	19.2
117.07007	8.6
119.08573	71.8
121.06506	14.0
121.10122	31.5
123.08053	4.2
123.11700	13.8
125.05952	4.5
128.06195	4.4
129.07037	8.0
131.08566	27.9
133.06488	3.1
133.10123	64.9
135.08046	6.5
135.11687	18.8
137.09518	3.4
137.13121	2.9
139.06590	2.8
139.07510	14.7
141.07034	4.0
142.07813	7.4
143.08556	15.7
145.10118	47.5
147.04396	12.5
147.08073	4.6
147.11676	23.8
149.02332	6.4
149.05974	3.2
149.09590	3.8
149.13264	6.4
151.11162	4.2
153.09105	4.5
155.08609	6.5
156.09326	7.5
157.10138	23.5
159.08061	3.8
159.11697	37.3
160.89929	2.6
161.09624	6.7
161.13229	20.9
163.11128	7.9
163.14818	7.4
165.08987	4.0
166.35268	2.8
168.09279	4.3
169.10085	14.1
171.11720	22.1
173.09589	4.9
173.13261	23.9
175.07463	3.3
175.11197	4.4
175.14781	8.7
177.09087	3.6
177.16399	7.0
179.10606	4.8
181.10092	2.9
181.12276	3.1
183.11635	15.9
185.09534	4.7
185.13245	18.8
187.11143	21.6
187.14723	17.4
189.09042	3.8
189.12785	3.5
189.16339	28.3
191.10646	6.9
193.05023	8.0
195.11760	3.5
197.13202	18.4
199.11179	12.1
199.14789	10.9
201.12718	10.5
201.16376	14.6
203.10547	4.8
205.12212	24.4
205.15846	4.7
207.13863	4.3
207.17482	3.5
209.11613	6.9
211.11191	10.0
211.14819	8.1
213.12718	16.2
215.10648	4.3
215.14333	4.6
217.12245	11.8
219.13800	8.1
219.17445	3.5
221.13489	2.9
225.12825	6.3
227.18056	6.9
229.12175	13.4
231.13747	17.8
234.10266	3.3
239.14291	3.7
239.17934	9.6
243.13800	13.8
243.21104	20.9
251.20053	3.3
253.19513	9.9
255.21045	4.8
257.15491	6.0
257.18781	4.1
261.14691	4.8
269.19037	17.2
271.20511	12.8
275.20062	3.6
281.18808	14.6
284.29733	3.0
287.20020	72.5
288.20450	4.4
289.21600	5.9
299.20047	85.1
300.20398	4.3
317.21088	100.0
317.24771	5.9
318.21298	5.1
450.31589	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	450.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05508	2.3
57.03334	0.4
57.07071	0.6
67.05153	0.5
67.05498	4.3
68.01720	0.4
69.07064	3.0
69.68497	1.3
69.68862	0.7
71.05000	0.7
79.05485	1.8
81.07047	4.5
83.04941	0.5
83.08602	1.1
85.06539	0.6
88.81833	0.4
91.05470	4.2
93.07028	4.2
95.04945	1.6
95.08604	11.2
97.02880	0.9
97.06519	0.6
98.22768	0.8
103.05514	0.4
105.07018	6.3
107.04909	0.5
107.08575	5.0
109.06498	0.6
109.10157	3.7
111.04462	0.6
111.08057	0.6
115.03950	0.4
117.07021	2.3
119.08574	16.9
121.10110	3.5
123.08026	0.4
123.11672	0.8
128.06239	0.5
129.07014	0.9
131.08553	3.4
133.10121	10.1
135.08005	0.7
135.11691	1.9
137.06000	0.7
137.78236	0.4
139.07544	0.7
141.06985	0.8
142.07806	1.3
143.08560	2.1
144.09337	0.6
145.08978	0.5
145.10107	9.2
145.11223	0.6
147.11674	6.9
149.09590	0.7
154.07776	0.4
155.07031	1.2
155.08534	1.7
156.09306	0.8
157.10123	6.8
158.10948	0.9
159.11694	8.4
160.12419	0.6
161.13248	3.2
169.10109	3.9
170.10896	1.2
171.11673	4.6
172.12352	0.7
173.13242	6.9
174.13689	0.5
175.14801	0.9
181.08562	0.4
181.10159	0.7
182.10921	0.8
183.11676	5.3
184.12445	0.5
185.13278	2.6
186.13979	1.0
187.14821	5.8
188.15588	4.0
189.12598	0.4
189.16394	1.1
195.11732	1.1
196.12488	0.6
197.13223	5.4
199.14766	3.8
201.16351	3.5
203.17960	0.4
205.12141	1.1
209.13242	1.0
210.14140	0.5
211.14761	1.8
213.73764	0.4
215.17932	0.9
217.12236	1.8
223.02361	0.4
224.15807	0.9
225.12611	0.4
225.16295	0.5
229.12279	2.0
237.16318	1.0
239.14368	0.4
239.17935	6.1
240.18549	0.5
243.13733	2.1
247.13191	0.6
253.19594	0.9
257.15320	0.7
263.18063	0.6
272.91086	0.4
281.18991	0.7
299.20004	8.0
317.21078	100.0
318.21350	4.4
334.23621	0.8
450.28516	10.6
451.28864	0.7
462.77225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05504	7.3
57.03427	1.8
57.07074	2.4
62.06104	1.2
67.05502	17.4
69.03415	1.6
69.07059	4.9
69.42202	5.0
73.09605	1.3
79.05494	7.7
81.07050	25.4
83.04990	2.5
83.08617	3.2
85.06537	1.9
91.05468	14.0
93.07037	16.3
95.04964	2.5
95.08598	22.7
97.02905	1.5
97.06489	1.5
103.05482	1.3
105.04506	1.3
105.07023	32.9
107.04955	1.8
107.08585	18.1
109.06538	2.4
109.10145	19.6
111.04430	4.7
117.07014	5.3
119.08569	22.4
121.06497	4.4
121.10137	9.5
123.08073	2.5
123.11707	21.0
125.06009	2.6
129.06995	2.3
131.08582	10.7
133.10118	100.0
134.10445	2.5
135.08049	3.2
135.11667	7.5
137.05937	2.4
137.09598	1.1
137.13251	2.7
139.07541	3.5
141.07016	1.3
142.07747	2.8
143.08517	4.0
144.09315	1.3
145.10104	12.6
145.39017	1.1
147.08000	2.0
147.11655	14.4
149.02332	2.8
149.06200	1.1
149.09586	2.8
149.13281	1.5
151.07515	2.5
151.11137	6.5
153.09103	2.2
155.08553	2.1
157.10162	8.5
159.08026	1.0
159.11696	11.0
160.12120	1.3
161.09622	2.4
161.13248	10.9
163.07582	1.4
165.09073	3.4
167.10666	5.2
169.10101	3.9
171.11711	4.6
173.09540	2.3
173.13258	5.9
175.11140	2.3
175.14841	3.2
177.09079	1.9
179.10674	2.1
183.11635	5.3
185.09618	2.1
185.13229	5.4
187.11153	4.1
187.14790	3.4
189.16426	2.4
191.10693	2.2
193.04945	3.1
195.11584	1.4
197.13226	6.6
199.11156	3.2
199.14821	4.8
201.12688	2.9
201.16333	8.1
203.10651	3.6
205.12207	3.0
211.11069	1.1
211.14819	3.6
213.12506	1.6
213.16380	1.4
215.10640	2.1
215.14299	1.7
215.17964	4.6
217.12282	3.6
219.13770	1.9
225.12810	2.2
225.16367	1.5
227.14349	1.7
229.12267	2.3
229.19359	1.7
233.18681	1.2
239.14301	4.2
239.17953	4.2
243.13820	4.0
243.17476	1.8
245.15428	1.6
253.19553	4.8
255.21065	1.1
257.15363	3.7
257.18936	2.9
259.17087	1.3
261.18500	4.8
271.20462	2.8
275.16763	1.9
275.20038	10.7
281.18951	5.5
299.20035	47.3
300.20355	3.0
317.21075	40.3
317.24777	2.6
318.21548	2.3
450.32428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.3
57.07058	2.5
60.15025	1.2
61.24779	1.1
63.56709	1.2
67.05501	9.2
69.03398	1.3
69.07068	6.7
71.04971	1.2
79.05485	5.3
81.07053	13.3
83.04957	2.2
83.08605	3.1
91.05452	12.5
93.07040	9.9
95.04967	2.2
95.08600	22.1
97.06541	1.7
105.07024	18.8
107.08602	12.3
109.06505	2.3
109.10139	10.1
111.04434	7.8
117.07008	4.7
119.08570	33.8
121.06511	1.3
121.10126	5.7
123.08058	2.1
123.11700	3.7
129.06989	3.7
131.08559	9.0
133.10112	47.4
135.08069	1.5
135.11635	2.9
139.07556	2.1
142.07799	1.6
143.08551	7.2
145.06451	1.2
145.10110	15.9
147.08032	1.5
147.11688	13.8
149.02336	3.0
155.08568	5.5
156.09346	2.4
157.10086	11.7
158.10883	1.6
159.11671	19.2
161.13269	6.6
165.07053	1.5
165.09117	1.9
169.10172	6.1
170.10939	2.8
171.11656	11.7
173.09615	1.7
173.13293	8.5
174.13931	1.8
175.14761	2.9
179.10780	1.3
181.10139	1.6
183.11652	10.7
184.12410	1.3
185.13258	12.0
186.13921	1.9
187.11191	3.5
187.14793	7.3
189.16328	6.2
191.10683	2.5
193.05026	2.1
195.11644	3.2
197.13243	13.7
199.11179	3.1
199.14803	5.0
201.12727	3.2
201.16399	8.2
202.17162	1.7
203.10692	2.3
205.12219	5.3
209.13309	3.2
211.11160	2.1
211.14856	5.6
213.12755	1.7
213.16240	1.8
217.12260	3.0
225.12764	3.0
225.16388	1.9
227.17912	2.0
229.12189	5.7
231.13817	2.3
237.16289	1.9
239.14307	1.8
239.17937	7.9
243.13777	5.9
243.21078	3.1
253.19498	18.5
255.21046	4.0
257.15381	4.1
269.19101	1.6
271.20578	4.5
281.18927	10.2
284.29755	1.3
287.20023	3.2
299.20010	100.0
300.20462	4.7
317.21109	13.3
415.24411	2.1
433.25845	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.8
57.07051	0.9
65.03922	1.0
67.05501	8.5
69.07076	3.4
69.77974	1.9
70.06573	0.7
71.04993	1.1
74.53345	0.7
79.05497	4.2
81.07046	11.6
83.04987	1.0
83.08615	1.7
85.06522	1.8
87.49593	0.8
91.05470	7.4
93.07049	8.0
95.04968	1.6
95.08604	17.2
98.98480	0.7
105.03351	0.8
105.04485	0.7
105.07028	16.8
106.07320	1.0
107.08598	9.0
109.06534	1.2
109.10149	4.6
111.04440	6.7
115.05479	0.7
117.07002	4.2
119.08575	36.3
120.08891	1.2
121.06461	1.0
121.10142	4.0
123.11717	1.6
128.06149	0.9
129.07001	2.3
131.08556	7.4
133.10120	46.6
134.10495	1.1
135.11674	3.5
137.09531	0.8
137.75626	0.7
139.07501	0.8
141.06956	1.8
142.07736	1.5
143.08554	5.4
144.09346	0.9
145.10120	12.1
145.78310	0.8
147.11665	8.6
149.13261	1.2
155.08604	4.2
156.09331	2.7
157.10103	8.3
158.10938	0.8
159.08133	0.8
159.11674	13.4
160.12488	1.1
161.09625	1.6
161.13249	4.8
165.07010	0.7
167.08531	1.1
169.10115	6.2
170.10878	3.4
171.11697	10.4
173.09677	0.8
173.13239	9.5
177.09125	1.0
179.10713	1.2
181.10138	1.7
182.10901	1.8
183.11662	10.3
184.12408	1.6
185.09674	1.0
185.13240	10.1
186.14020	1.7
187.11206	2.4
187.14815	4.8
189.16451	4.0
191.10591	1.0
193.05133	1.5
193.10046	0.8
195.11664	3.8
196.12457	2.0
197.13258	15.9
198.13675	0.9
199.11153	1.7
199.14806	8.2
201.16382	6.5
202.17116	0.9
203.10661	1.3
205.12177	3.4
207.11760	1.7
209.13231	1.9
210.14069	1.3
211.11267	0.8
211.14819	6.6
213.16412	1.8
215.10658	1.4
215.14281	1.2
217.12305	3.3
221.13234	1.0
224.15610	1.3
225.12752	2.3
225.16310	1.8
229.12308	4.5
237.16377	2.6
238.16884	0.7
239.14256	1.6
239.17960	7.1
243.13792	5.3
243.20937	1.1
253.19502	17.9
255.21089	3.0
257.15344	4.4
263.17953	1.5
269.45731	0.9
271.20490	4.5
281.18921	9.2
299.20038	100.0
300.20343	4.8
335.25729	1.9
361.15857	0.9
406.22385	2.2
415.24780	2.1
450.28220	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33336	2.6
53.35107	3.5
56.96556	11.8
60.26369	2.8
65.05476	3.0
69.19945	6.4
69.20348	13.0
79.05508	5.8
84.96038	7.5
95.31994	3.2
98.97596	36.3
110.97559	15.7
116.98633	13.2
121.02914	3.2
127.01538	3.7
128.98618	11.3
134.99623	3.3
143.00157	4.6
146.99721	4.2
161.01227	5.4
170.99652	3.9
171.87001	3.1
177.00732	4.9
201.00703	7.1
219.01775	18.7
224.03635	5.1
237.02806	35.5
261.03006	3.5
365.09137	9.8
383.10031	24.8
384.10562	3.9
390.85443	3.2
407.10986	10.2
451.10010	100.0
452.10248	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
58.99590	1.1
62.29198	0.7
63.07845	0.7
67.05489	1.9
69.03428	8.6
69.07037	0.7
69.20125	4.5
72.08121	0.7
72.69436	0.7
74.00639	0.9
77.04913	0.6
77.36298	0.7
79.05480	2.0
81.03374	0.8
81.07036	1.8
82.00320	0.9
83.04977	5.7
85.02891	1.1
86.09700	6.7
88.02220	4.9
91.05466	2.6
93.07041	2.4
95.04957	1.4
95.08614	1.8
97.06541	1.1
100.02188	1.1
103.05453	2.1
105.07026	2.4
107.08585	1.7
109.06508	0.9
111.04436	0.8
113.05978	4.5
116.01668	2.6
117.06982	1.6
119.04932	1.4
119.08563	2.9
120.02419	0.7
120.08096	35.1
121.10139	1.4
124.03922	0.9
126.03745	0.8
127.03929	0.9
128.06163	1.1
129.07022	1.0
131.08546	1.8
133.10107	1.5
139.07454	0.9
140.04401	2.4
143.08566	1.9
143.11789	4.2
145.10101	2.5
146.02695	0.9
147.07965	0.8
155.08542	1.2
157.10109	2.9
159.08060	1.0
159.11676	1.7
160.04260	0.9
161.05978	1.4
162.02182	1.1
167.10687	2.1
169.10136	1.1
171.11493	2.6
179.08572	1.0
181.10127	1.1
183.11644	1.6
185.04179	2.0
185.09598	0.9
185.13237	1.5
187.11221	1.9
193.10147	0.8
195.11755	0.7
201.12672	1.2
205.08531	1.1
217.04663	2.0
232.07039	30.6
233.07597	1.1
235.11386	0.7
236.10374	1.5
241.06834	1.6
257.15411	2.0
275.16312	2.5
280.47028	0.8
281.11334	5.0
287.05484	12.8
288.05807	10.5
289.06012	18.9
290.05902	0.9
299.88965	0.8
307.11441	2.0
389.15656	6.9
391.13531	2.6
398.17761	1.3
416.18533	4.3
420.13852	2.5
433.14603	1.1
434.19968	21.3
451.15707	100.0
452.15799	3.7
452.21021	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	451.1644
Annotation	Suvorexant
Peak:m/z	Relative Intensity
53.03940	5.4
55.01884	1.9
55.05508	15.8
57.06819	1.9
57.07074	25.1
67.05502	3.3
69.69173	3.2
71.04982	14.3
75.00008	4.2
77.03963	2.2
82.98985	13.4
83.04978	58.8
84.05270	1.2
89.01548	1.3
91.05483	5.7
95.04990	5.6
98.23455	2.4
101.06006	5.5
105.04533	1.6
105.06991	1.8
117.01028	36.0
117.07021	1.4
119.02542	1.2
119.08595	1.5
124.03951	2.1
128.06223	1.5
129.06987	4.3
135.02051	10.7
147.02052	14.6
147.08080	1.6
147.11647	5.8
148.84351	1.2
157.07602	1.7
165.03119	37.8
175.01550	100.0
176.01974	1.6
181.02577	13.3
181.03880	1.4
193.02600	2.8
199.03717	1.3
227.04747	8.6
231.07817	7.4
257.05811	1.9
275.06793	20.3
278.16302	1.1
313.12012	5.3
321.02924	6.8
331.13013	67.0
332.13406	3.3
339.03922	6.3
339.48691	1.2
345.56360	1.5
347.08118	1.5
369.18198	3.5
377.09140	21.6
387.19275	37.9
388.19379	2.4
395.10172	60.4
396.10211	2.3
433.09851	2.2
433.15390	31.2
450.37857	3.1
451.16507	53.9
451.39117	1.2
452.17020	3.5
457.77826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.4
63.20251	0.4
64.87290	0.5
69.03064	1.0
69.03425	12.0
70.06590	1.0
78.04717	0.6
84.08138	0.6
85.02884	0.7
86.09724	0.5
87.28484	0.4
89.03916	3.2
95.06078	1.8
97.02875	1.0
99.04447	0.8
113.07121	2.1
117.03380	12.5
118.03717	0.7
120.08064	0.6
121.02830	0.7
127.03918	5.5
129.10150	0.5
134.03644	0.9
135.04408	1.3
137.05986	0.8
145.02841	46.1
146.03194	1.4
147.04402	0.6
149.05960	4.5
149.72131	0.5
163.03877	0.8
167.07021	6.8
168.07388	5.0
177.05466	100.0
178.05789	3.2
187.07500	0.6
195.06534	0.7
244.84702	0.5
261.07593	1.0
321.09692	7.4
339.10724	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	451.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
54.41008	2.1
55.01859	7.2
55.05505	8.6
58.99569	11.3
61.01150	49.2
65.03940	4.5
67.05500	26.1
69.03417	22.6
69.07083	5.9
70.49383	4.9
71.01347	3.3
71.04971	3.2
74.65977	2.7
79.05486	17.8
81.03413	69.1
81.07057	17.4
83.04986	16.1
85.01130	6.0
85.06543	3.0
86.99043	10.8
89.00613	83.1
91.05476	26.3
93.07039	17.6
95.04958	26.9
95.08608	13.3
97.01134	2.5
97.06503	6.0
101.00591	7.7
105.00089	5.4
105.07021	33.6
107.04941	10.7
107.08593	22.9
109.02866	8.1
109.06502	7.5
109.10168	5.7
111.04450	12.7
113.00592	2.9
113.06007	8.9
115.02148	6.5
115.05418	4.5
117.00078	2.8
117.06995	18.3
119.04887	3.9
119.08566	42.8
121.06506	12.7
121.10123	7.1
124.03993	2.4
128.06209	8.7
129.06969	17.5
130.07796	2.9
131.04893	9.0
131.08565	21.2
132.99533	4.8
133.03210	3.1
133.04242	2.4
133.06459	11.4
133.10114	20.7
135.01086	9.0
135.08012	6.4
135.11621	3.4
141.06996	8.2
142.07776	15.1
143.08577	31.3
144.09309	6.7
145.06454	13.1
145.10124	42.2
147.01196	2.5
147.02515	3.1
147.08054	18.4
147.11642	12.6
149.05966	4.1
149.09608	3.9
153.07011	9.4
155.08525	15.4
156.09364	4.5
157.06503	4.7
157.10129	32.5
159.01100	11.8
159.08116	13.3
159.11703	25.7
161.05997	3.6
161.09628	10.8
161.13240	47.3
163.00584	7.0
163.11160	22.7
165.06940	5.3
165.09157	3.9
166.07735	3.4
167.08536	12.8
168.09285	10.8
169.10092	17.7
171.08034	7.3
171.11670	20.3
173.09637	19.6
173.13243	9.8
175.00618	10.7
175.11108	3.7
177.12814	3.5
179.08566	8.4
179.10573	2.7
181.06444	5.3
181.10065	17.1
182.10901	5.1
183.08073	5.2
183.11687	30.3
185.09613	11.0
185.13261	20.6
187.07596	3.1
187.11154	16.5
191.08691	3.1
191.10649	6.8
193.10103	8.8
194.10907	7.8
195.08157	3.5
195.11679	8.1
196.08890	3.6
197.09659	5.0
199.11133	8.4
201.09183	2.6
201.12691	16.8
203.14352	4.6
205.10089	3.5
209.09598	7.0
209.13235	15.7
211.11174	14.5
213.12660	5.9
215.08963	3.2
219.11722	3.6
223.14702	2.5
225.12648	5.7
227.14227	12.7
229.12267	19.1
233.09743	5.4
235.11382	3.1
237.12790	12.1
249.12714	3.5
251.14288	2.7
255.13792	44.3
265.15891	5.9
271.16864	3.7
273.14838	100.0
274.15027	4.8
275.14285	8.4
283.16800	3.1
293.15396	11.3
305.12143	7.1
309.07870	3.6
311.16513	16.1
323.13058	5.3
343.13681	3.9
351.12601	11.1
369.15231	4.7
397.14609	2.8
406.69421	2.5
415.15686	10.3
433.16681	9.7
451.17834	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.4
54.87700	1.3
55.01888	1.8
55.05508	6.0
57.59857	1.4
58.04222	12.5
58.54385	3.1
58.99585	4.8
59.04996	5.6
61.01143	15.3
67.05502	9.3
69.03423	9.9
69.07066	2.0
69.60294	4.8
71.04997	4.0
73.02916	42.2
73.06557	8.0
74.03255	1.5
76.58092	1.3
77.03961	1.4
78.99500	2.1
79.05496	5.5
80.05507	15.8
81.03413	24.5
81.06641	1.5
81.07041	8.5
83.04985	6.8
83.08572	1.6
85.02920	3.7
86.99062	1.9
87.00826	2.1
87.04467	23.4
89.00611	24.1
89.06029	100.0
90.06361	5.5
91.05480	9.7
93.07043	7.1
95.04981	8.0
95.08607	5.8
97.02905	2.6
97.06561	2.6
97.10158	2.6
98.22678	2.5
99.02680	2.0
99.03270	23.7
99.53505	2.0
101.00628	1.9
102.06801	12.9
103.07590	3.4
105.01783	1.6
105.03352	1.4
105.07027	16.8
107.04961	4.4
107.07083	2.1
107.08607	5.2
108.03812	2.6
109.02831	3.0
109.06509	5.1
111.04443	4.1
111.07309	2.5
112.99992	2.8
113.00655	2.1
113.06000	3.6
115.02139	2.3
115.05449	2.3
115.07576	1.6
117.07024	3.2
117.09155	1.5
119.04983	1.5
119.08571	15.8
121.04562	30.8
121.06446	3.6
121.10153	4.1
121.54760	2.9
123.08115	1.6
124.03921	1.8
124.08059	9.5
124.58228	2.0
126.46952	1.6
127.01558	75.3
127.03868	2.0
128.01941	3.4
128.06242	3.8
129.07001	5.6
131.04878	3.7
131.07056	3.1
131.08569	8.5
132.99588	2.5
133.06516	6.4
133.08598	43.3
133.10136	5.4
134.08890	3.1
135.01093	1.9
135.08089	2.2
138.05531	1.7
139.01543	9.8
141.07039	2.3
142.07806	3.3
143.05855	15.0
143.08565	8.3
143.55994	2.0
144.09332	1.6
145.06502	5.9
145.10103	11.4
146.09389	3.9
147.04431	1.4
147.08023	3.7
147.11674	3.7
152.06366	4.3
153.03105	94.7
153.06985	1.9
154.03448	5.8
154.07719	1.8
155.08556	5.1
155.09918	4.5
156.09341	3.9
157.06557	2.1
157.10110	10.9
159.01166	2.7
159.08044	2.8
159.11656	7.5
161.09627	5.9
161.13242	14.8
163.00589	1.9
163.11191	7.0
165.07167	14.7
166.07623	2.2
167.08589	3.9
168.09341	2.9
168.10716	3.0
169.10143	5.2
171.11685	5.8
173.09653	5.3
173.13274	2.5
175.00572	3.3
175.11082	1.7
177.11235	19.0
179.08562	2.7
181.10133	4.0
183.04242	2.3
183.11725	7.5
185.09636	3.8
185.13274	4.9
186.10480	1.7
187.08551	2.3
187.11203	5.5
189.09077	1.8
191.08569	2.1
193.10101	2.0
195.11731	1.5
197.05733	24.0
197.09625	2.7
199.07587	3.3
199.11111	2.3
199.12766	1.9
199.14825	1.7
199.62732	1.6
201.12706	4.3
203.14285	2.6
207.11792	1.6
209.09763	4.8
209.13249	2.9
211.11166	4.9
213.12593	1.6
219.08124	2.1
221.13832	2.1
227.14386	2.9
229.12250	5.2
237.12744	2.5
241.08327	1.6
247.87964	1.5
253.15984	1.4
255.13727	11.1
259.09485	3.6
273.14868	26.7
274.15231	1.8
275.14236	2.5
283.17307	2.3
293.15399	2.8
303.12222	2.0
305.12122	2.5
311.16336	3.9
351.12762	2.2
405.17154	1.8
415.15555	3.1
419.05234	2.3
433.16669	4.5
451.18008	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	451.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54884	4.7
52.99477	5.1
55.01850	5.0
55.05516	12.3
67.05506	22.8
69.03426	6.7
69.07070	16.6
69.83878	12.4
78.03458	15.2
79.05509	20.6
80.61649	5.9
81.03428	28.0
81.07056	21.1
83.04991	9.5
83.08627	5.8
85.39989	5.1
91.05463	32.7
93.07047	31.5
95.04965	11.9
95.08617	25.5
97.02921	8.6
97.71552	5.5
105.07038	47.7
106.02910	32.7
107.08589	31.8
109.06500	12.9
109.10165	10.6
111.04428	26.6
115.05463	6.3
117.07021	11.1
119.04971	6.7
119.08585	57.8
121.06532	11.2
121.10126	26.0
123.08081	12.6
124.03960	28.3
125.06055	5.4
127.03951	15.4
128.06210	7.8
129.07001	7.8
130.07729	5.0
131.08577	23.9
133.06526	8.8
133.10106	31.4
134.07281	14.1
135.08109	12.1
135.11641	4.9
137.05986	12.2
141.06960	7.0
142.07776	15.7
143.08574	28.3
144.09317	7.2
145.10124	50.4
147.08035	8.8
147.11679	18.4
149.09596	9.6
155.08575	22.5
156.09334	14.1
157.10146	44.5
158.10854	8.2
159.08066	10.0
159.11723	27.0
161.09608	9.0
165.07013	8.2
167.08543	8.6
168.09291	10.6
169.10091	29.9
170.10851	17.9
171.11676	32.7
172.12411	7.6
173.09674	14.9
173.13286	20.6
175.11223	9.8
179.08487	12.5
180.09303	5.7
181.10143	15.7
182.10931	8.9
183.08087	8.1
183.11722	57.0
185.09686	6.9
185.13266	19.6
187.11195	14.5
187.14766	30.4
192.09334	13.6
193.10182	16.9
194.10910	11.6
195.11754	14.3
196.12474	10.2
197.09584	8.9
197.13280	32.8
198.14032	26.5
199.14828	7.2
201.09001	7.2
201.12796	9.4
203.14351	19.6
205.15979	10.9
206.10977	9.8
207.11707	23.0
209.13274	17.9
211.11165	12.5
211.14891	17.7
213.16129	5.6
215.14311	15.6
216.15062	6.3
219.11800	11.9
220.12416	14.9
221.13208	10.2
223.14821	10.9
224.11942	8.6
225.12749	13.5
225.16348	9.1
229.15784	8.3
231.10170	11.6
234.14093	12.4
235.14821	12.2
236.15530	7.9
239.10658	9.4
239.17986	12.4
249.16425	21.1
251.17960	9.6
253.12210	8.6
253.15947	8.9
255.13811	11.1
257.15320	7.4
267.17526	23.0
271.16898	12.2
273.14905	13.0
277.15878	18.6
285.18463	16.8
295.16940	75.4
296.17343	5.9
299.00455	5.6
313.17969	100.0
331.18918	14.5
355.18796	9.6
391.21335	6.1
452.20670	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	451.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80469	6.7
55.05501	24.0
57.07083	6.0
62.97922	6.2
67.05500	32.5
69.03430	54.7
69.07043	16.3
72.27826	5.6
79.05485	33.9
81.03429	31.9
81.06267	5.8
81.07039	30.9
83.04971	49.8
85.02930	6.1
87.04447	18.3
91.05482	40.8
93.07029	26.6
95.04947	22.4
95.08611	29.0
97.06537	50.9
105.03391	8.0
105.07029	76.3
107.04927	8.0
107.08585	27.0
107.27686	6.5
109.06515	11.9
111.04437	84.4
117.06997	13.8
119.04900	8.0
119.08565	48.7
121.02863	14.3
121.06510	10.0
121.10122	15.6
123.08048	24.9
124.03918	20.4
129.07028	9.0
131.08571	25.4
133.06454	27.0
133.10110	39.4
135.08051	19.5
137.05940	9.1
142.07732	12.0
143.08510	27.5
145.06432	11.7
145.10110	36.0
147.04358	11.6
147.08092	16.5
147.11703	18.1
149.05942	7.9
149.09633	7.1
156.09325	14.9
157.10094	45.6
159.08083	13.5
159.11678	25.4
161.02325	10.1
161.09627	19.7
161.13164	7.2
163.03911	16.4
169.10117	8.7
170.10941	8.4
171.11685	16.4
173.02374	6.4
173.09628	10.8
173.13203	20.2
175.11153	19.1
175.14783	41.8
180.20090	6.3
181.10165	8.1
185.09560	6.2
185.13228	53.9
187.11148	12.4
187.62985	6.6
195.11728	12.4
197.13255	9.8
201.05447	9.9
201.12775	16.2
203.14302	100.0
213.12749	14.5
215.07019	14.7
215.14133	7.2
218.98715	14.1
219.06535	16.6
219.13835	12.1
221.15341	12.5
231.13831	11.7
259.09683	27.7
267.06689	9.2
267.17270	8.7
295.16928	25.5
313.17932	21.1
331.19177	7.6
336.27597	7.2
353.13815	10.8
384.98767	6.2
433.16394	10.4
451.17795	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.282
Annotation	Wilforol B
Peak:m/z	Relative Intensity
55.05482	1.3
57.07071	17.3
57.24846	1.2
62.69869	1.2
65.14050	1.3
67.05495	2.3
67.88185	1.3
68.27653	1.4
69.04477	1.3
69.74277	4.8
71.08624	13.5
79.05457	1.6
81.07034	1.8
85.10190	6.7
87.04470	1.9
89.06025	44.4
93.07047	2.1
95.04950	6.0
99.11752	1.9
105.07021	1.7
133.08597	16.3
148.05446	1.4
177.11221	3.9
318.40344	1.3
391.26010	14.4
392.26675	1.6
431.29944	1.4
451.28131	100.0
452.28482	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	452.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41814	13.1
57.03419	23.3
69.03428	100.0
69.22343	82.0
73.61522	12.7
81.03439	16.6
85.02923	68.4
87.04467	62.8
97.02880	79.1
109.02893	28.6
115.03934	89.5
133.02858	21.4
133.04984	91.3
141.05472	41.2
143.26392	16.8
150.07610	34.2
151.03868	35.7
165.05501	38.1
170.22394	13.6
186.61620	15.8
195.22339	14.4
387.82635	15.9
452.38763	16.2
474.93021	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	452.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	6.2
67.05499	1.6
69.03426	1.4
70.00726	1.0
71.42817	1.3
72.99334	1.1
73.02905	3.1
73.06551	1.8
79.05522	1.7
81.07050	2.4
83.04973	1.4
85.02908	3.6
85.06563	2.3
86.09723	1.2
87.04453	7.4
88.17413	1.2
89.06026	100.0
90.06414	1.6
91.05473	1.8
93.07056	1.7
94.29105	1.2
96.56434	1.1
102.84627	1.1
103.07567	6.5
107.07095	1.4
107.08589	2.1
113.00050	3.2
116.10767	1.2
117.06976	1.7
121.02867	2.0
123.11768	1.3
127.01560	34.9
131.07018	1.4
133.08597	64.1
133.10159	3.0
139.01526	11.3
147.04408	5.3
147.10144	3.2
151.11127	1.7
153.03111	34.6
159.11633	1.5
163.97823	1.5
169.12302	1.5
177.11220	12.1
183.04170	3.9
190.52786	1.4
195.13705	1.4
197.05734	15.4
213.00191	1.4
215.06677	1.5
221.13773	3.5
227.06857	2.1
241.08221	2.4
255.16020	1.4
259.09479	1.5
271.09149	1.5
273.16895	2.6
314.78790	1.3
319.22641	1.4
435.19946	18.9
453.09622	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	452.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.3
51.02380	0.2
53.03937	0.5
55.01871	0.2
55.05516	0.5
57.07066	0.2
62.06079	0.2
65.03972	0.2
67.05513	1.2
67.05814	0.2
68.05096	0.2
69.03437	0.5
69.07063	0.7
78.03452	3.9
79.05481	0.9
80.05014	5.2
80.21606	0.2
81.03415	0.4
81.07049	0.8
83.08623	0.3
91.05484	1.3
93.07030	1.3
95.04975	0.6
95.08601	2.0
96.04488	4.0
97.02887	0.3
97.06518	0.5
97.10120	0.2
105.04515	0.2
105.07017	1.9
106.02911	9.2
107.04926	0.3
107.08569	0.9
108.04459	0.9
109.06505	0.4
109.10136	0.4
111.04449	0.3
115.05453	0.4
117.07008	0.7
119.04859	0.2
119.08577	3.0
121.10143	0.8
123.08060	0.3
124.03947	100.0
125.04279	2.3
128.06215	0.3
129.06982	0.9
130.07838	0.3
131.08537	1.8
133.10127	1.7
134.93738	0.2
135.08043	1.5
141.06969	0.7
142.07767	0.7
143.03438	0.3
143.08563	1.7
145.10110	2.6
146.10616	0.2
147.08063	0.5
147.11699	1.0
149.09602	0.5
153.07071	0.3
155.07120	0.2
155.08568	1.0
156.09344	1.3
156.92743	0.2
157.04997	0.4
157.10132	2.5
158.10670	0.2
159.08046	0.7
159.11685	2.3
161.09645	0.8
161.13248	0.2
165.06978	0.3
166.07739	0.3
167.08553	0.9
168.09300	0.3
169.10147	1.4
170.10884	0.8
171.11682	2.9
172.08836	0.6
173.09631	1.8
173.13289	1.7
174.10289	0.2
175.11136	0.6
178.07784	0.2
179.08577	0.6
180.09343	0.6
181.10130	2.1
182.10931	0.6
183.11690	1.3
184.12538	0.3
185.09641	0.5
185.13266	1.6
186.10390	0.2
186.14030	0.5
187.11237	0.9
187.14777	1.3
188.12012	0.3
189.12700	0.2
192.09348	0.4
193.10127	0.7
194.10878	0.6
195.11693	2.0
196.12465	0.7
197.09645	0.3
197.13243	1.2
198.13991	0.5
199.11208	1.0
199.14731	1.1
201.09050	1.1
201.12755	0.9
203.10576	0.3
206.10938	0.4
207.11713	1.8
208.12421	0.6
209.09390	0.3
209.13147	1.0
211.11215	0.6
211.14809	2.1
212.11877	0.2
212.15361	0.2
213.09123	0.3
213.12718	0.4
213.16342	0.4
215.14331	1.1
216.15097	0.4
217.10324	0.2
217.15855	0.4
220.12509	0.3
221.13245	1.5
221.15135	0.3
222.13962	0.5
223.11201	0.6
223.14833	0.6
225.12628	0.5
226.13449	0.6
227.10684	0.4
227.14331	0.5
227.17902	0.3
229.08649	0.4
229.15820	0.3
235.14833	0.4
236.11909	0.2
236.15613	1.1
237.12727	0.5
237.16316	1.3
239.14294	0.3
241.12158	0.5
241.15913	0.5
244.11281	0.2
247.09554	1.4
247.14867	0.4
251.10664	0.5
251.14265	0.2
253.15935	0.2
254.16737	0.4
255.13750	0.4
255.17476	0.8
265.15912	0.7
269.11761	0.4
269.15356	0.6
271.13306	0.4
273.11206	0.8
274.16043	0.3
275.14297	0.3
278.13062	0.2
279.17566	0.3
283.14063	0.3
283.16870	1.2
285.18533	0.4
287.12756	0.3
287.16190	0.2
292.16861	0.6
293.15274	1.7
294.15637	0.3
297.18533	0.4
301.14694	1.1
301.17960	0.3
311.16217	0.9
311.25677	0.4
315.19516	4.3
316.19791	0.3
329.17441	10.2
330.17764	0.8
375.21533	0.7
452.20773	4.4
452.26572	0.9
453.20847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92103	0.5
55.05474	2.1
65.03912	0.5
67.05494	4.7
69.03400	1.4
69.07034	1.9
69.93247	1.0
69.93626	1.1
71.04977	1.0
71.93400	0.5
79.05445	2.2
81.07040	2.9
83.04942	1.0
85.06525	1.1
91.05486	2.7
91.08055	0.5
93.07036	4.6
95.04936	1.2
95.08595	3.8
97.02880	5.1
97.06488	0.8
105.07014	7.1
106.02907	0.6
107.08574	3.7
109.06503	1.0
109.10115	1.6
111.04441	3.0
111.05047	0.5
111.08070	0.8
117.06981	1.0
119.08569	16.2
121.06450	1.2
121.10137	3.5
123.07955	0.6
124.03897	0.8
125.05933	0.7
128.06161	0.5
128.33521	0.6
129.06967	1.1
131.08553	2.6
133.06464	0.8
133.10100	4.6
135.08012	1.5
135.11615	0.7
137.09509	0.7
139.07513	0.7
141.05446	1.4
141.06979	0.4
142.07729	1.2
143.08556	2.9
144.09291	1.0
145.10089	5.3
147.08061	0.7
147.11667	14.5
148.22852	0.5
149.09583	1.4
155.07076	1.2
155.08498	1.4
156.09279	1.7
157.10117	6.9
159.08046	0.6
159.11667	8.4
160.12213	0.5
161.09543	1.7
161.13232	4.3
163.11098	0.5
165.06827	0.5
167.08556	1.3
169.10123	2.4
170.10904	4.0
171.11674	7.3
173.09554	0.9
173.13251	4.4
175.11142	1.5
175.14761	2.2
175.26941	0.5
179.08568	0.6
181.08684	0.7
181.10094	2.4
183.11684	2.2
184.12413	2.1
185.09552	0.6
185.13240	8.9
186.13881	2.1
187.11137	0.9
187.14806	2.1
189.12697	1.9
193.08557	0.8
193.10129	1.2
194.10841	0.6
195.10068	1.0
195.11681	6.1
196.12300	0.8
197.13214	4.2
198.13951	0.7
199.11205	1.3
199.14807	8.1
201.16353	1.4
203.14320	6.7
204.15111	2.4
205.15843	1.7
207.11690	1.6
208.12436	1.2
209.13245	4.4
211.14793	2.8
213.12758	0.9
213.16301	3.1
217.15944	0.8
220.12347	1.0
221.13269	0.6
222.13989	1.7
223.14760	2.1
227.17915	1.5
235.14748	2.2
236.15475	0.6
237.16354	6.6
238.16960	0.9
241.12173	1.4
251.17918	1.6
255.13637	0.6
255.17432	2.3
261.16174	0.6
269.18936	1.2
271.20337	0.7
273.18381	1.2
279.17319	1.6
287.19809	0.9
297.18484	6.1
315.19507	100.0
316.19904	5.0
333.20633	1.2
452.26379	17.8
453.26303	0.7
463.73587	0.6
467.07166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16598	1.7
53.03939	2.5
55.01870	2.6
55.05508	8.9
64.48038	1.6
65.15406	1.7
67.05505	5.5
69.03424	33.5
69.99718	4.5
79.05499	5.2
81.03411	15.1
81.07050	5.3
83.04974	25.9
91.05483	11.6
93.07046	4.9
95.04991	8.6
95.08618	5.2
102.34777	1.6
105.07035	12.2
107.04951	2.7
107.08585	6.8
109.06528	4.1
111.03667	2.7
111.04436	55.7
117.06997	9.3
119.08556	9.8
121.06487	2.9
121.10168	2.1
123.08086	2.1
124.03944	6.7
125.06173	1.5
129.07002	7.6
131.04990	2.0
131.08554	23.2
133.06465	3.0
133.10123	4.4
135.08095	3.2
141.06969	3.8
142.07785	5.1
143.08537	13.2
144.09354	2.3
145.06439	2.5
145.10135	18.1
147.04437	1.8
147.08105	1.9
147.11665	3.1
153.07036	2.3
155.08575	6.3
156.09319	3.9
157.10152	11.1
158.10922	2.4
159.08023	3.7
159.11664	8.8
161.09673	2.5
163.14833	1.9
165.09174	2.3
167.08511	3.0
168.09299	1.9
169.10109	6.4
171.11719	9.3
173.09695	1.8
173.13239	48.1
174.13651	2.8
175.11212	2.2
179.08430	2.0
181.10124	4.0
183.11652	9.8
185.09639	2.3
185.13287	3.4
189.12715	5.6
191.10689	2.4
191.14325	5.6
193.10132	3.3
195.11679	3.8
197.13205	2.9
199.11218	1.8
201.12738	10.5
203.14284	3.2
207.11772	2.2
209.13287	2.1
219.13776	13.5
225.12669	2.0
237.12552	1.8
239.14400	2.3
265.16006	2.4
273.20480	1.9
283.16922	3.2
311.16400	6.7
329.17419	7.7
347.18433	2.8
371.34717	2.2
389.19550	100.0
390.19739	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	452.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37382	0.8
55.05247	0.7
55.05507	3.2
57.07072	1.5
58.72892	0.6
62.42730	0.7
62.95928	0.8
64.29387	0.9
65.25661	0.8
67.05507	4.1
67.63251	0.8
69.03453	0.9
69.07057	4.7
70.01564	1.2
70.01878	1.5
79.05484	4.2
81.07050	6.2
83.08599	3.0
91.05479	3.8
93.07067	4.7
95.08602	20.2
105.07028	9.1
106.02865	1.1
107.08586	13.1
109.06498	1.6
109.10143	4.6
111.04472	1.1
115.05445	1.1
117.07035	1.8
119.08571	25.4
120.08916	0.9
121.10143	9.3
123.11669	0.9
124.03965	3.1
127.03907	1.3
129.03139	0.8
130.92953	0.8
131.08551	5.8
133.10118	29.6
135.11694	2.0
139.53825	0.8
143.08508	3.0
145.10112	12.6
146.10664	1.0
147.04442	1.6
147.11676	13.0
155.08498	1.0
156.09343	1.2
157.10170	4.9
158.10854	0.8
159.11667	9.7
160.12460	1.4
161.09555	1.0
161.13225	6.2
166.07843	1.0
169.10138	3.4
170.10849	1.8
171.11642	3.9
172.12346	1.5
173.09683	1.2
173.13261	4.6
174.14026	1.0
177.16391	4.3
180.09378	0.9
181.10132	1.5
182.10783	1.0
183.11636	3.3
185.13321	5.3
187.11151	1.1
187.14812	20.2
189.16373	100.0
190.16684	4.0
195.11684	2.8
196.12407	1.1
197.13242	2.2
199.14842	1.7
201.16351	8.0
202.17128	6.2
203.17946	2.4
203.61430	0.8
205.15848	3.2
207.11601	1.3
207.17665	0.9
209.13222	3.2
211.14798	2.0
215.10712	2.6
215.59924	0.9
223.11089	1.1
223.14888	1.5
225.16571	1.2
227.10637	1.2
233.11768	1.0
233.84619	0.9
237.16365	2.9
241.12251	1.7
245.11641	0.8
251.18015	2.6
255.13730	1.2
269.18933	1.8
279.17441	1.9
297.18469	12.3
315.19507	48.7
316.19827	3.3
333.20581	2.2
452.26459	1.2
453.18674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85390	0.8
55.05497	2.1
57.07061	1.1
67.05489	4.6
69.03419	1.8
69.07068	3.3
70.68399	0.9
79.05492	3.4
81.03401	5.1
81.07044	5.2
83.04986	1.4
83.08604	2.9
91.05470	5.2
93.07042	10.5
93.65543	0.8
95.04974	1.9
95.08595	15.3
97.02865	2.5
97.06542	2.2
102.40794	0.9
105.07021	8.6
107.08580	11.8
109.06510	1.9
109.10149	4.0
111.08102	3.0
115.25248	0.9
117.07021	2.3
119.08577	15.9
121.06474	1.0
121.10162	4.0
123.08082	2.3
124.03951	1.9
124.35776	0.8
125.06030	1.3
125.09612	1.3
127.03924	3.8
128.06190	1.6
129.07002	2.4
130.07878	1.1
131.08559	8.1
133.10126	12.5
135.08070	1.7
135.11621	1.6
139.07559	1.1
141.06996	1.3
142.07771	5.8
143.08530	7.5
144.09315	3.3
145.10107	9.5
147.11673	4.9
149.09605	1.7
153.06985	1.6
153.09108	1.4
155.08493	5.7
156.09309	10.7
157.10114	23.9
158.10931	1.6
159.11679	17.4
161.09586	1.0
161.13257	2.2
165.07004	1.5
166.07863	1.0
167.08539	3.4
168.09360	1.8
169.10115	11.9
170.10890	10.0
171.11667	26.0
171.13048	1.9
172.12317	2.6
173.09613	1.1
173.13239	9.7
175.14932	1.1
179.08549	3.4
180.09337	3.9
181.08586	1.6
181.10069	13.9
182.10677	2.0
183.11670	13.8
184.12434	5.1
185.09644	1.2
185.13252	21.0
186.13864	1.8
187.11098	1.2
187.14815	3.7
189.16393	3.3
193.10103	5.3
194.10905	4.6
195.10008	1.6
195.11699	24.6
196.12407	4.2
197.13225	11.2
198.14032	3.9
199.11090	1.7
199.14803	17.5
200.15373	1.2
203.10643	1.3
207.11682	6.9
208.12488	5.0
209.13222	21.2
210.13942	2.3
211.14786	7.0
213.12932	1.5
213.16353	29.4
214.17067	3.3
215.10616	10.1
215.17979	2.5
217.15848	2.5
220.12483	1.7
221.13243	2.6
222.14011	6.3
223.11172	1.8
223.14700	5.6
225.16330	1.9
227.10675	4.2
227.17940	1.1
231.17407	3.0
235.14865	4.6
236.15631	2.8
237.12727	2.3
237.13889	1.2
237.16364	23.2
238.16940	1.5
241.12181	14.6
246.13834	0.9
251.17906	8.5
253.12230	1.5
255.13667	4.6
255.17416	2.4
257.15329	2.2
259.13275	3.3
261.16446	1.5
267.17429	1.2
268.14413	1.2
269.15411	2.3
269.19052	1.3
273.14874	1.1
273.18427	2.5
279.17450	7.4
289.67850	0.9
297.18472	37.5
298.18860	1.9
311.96732	0.9
315.19516	100.0
316.16650	1.2
316.19781	6.5
333.20682	1.4
375.21597	20.2
452.26471	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.8
57.07082	12.8
62.21048	7.4
67.05508	51.3
69.07070	22.7
69.45057	40.9
71.08591	9.6
79.05472	12.5
81.07059	44.9
83.08623	8.1
85.10178	10.6
89.06053	26.0
93.07049	12.8
95.08603	45.9
97.10199	9.4
98.22684	15.9
98.98450	51.5
102.78310	7.6
109.10183	19.6
119.08602	10.4
121.10163	8.4
123.11745	9.2
133.08656	19.4
155.01109	11.2
189.16510	8.8
229.63597	8.7
234.51894	8.5
239.15053	12.4
263.23715	15.5
334.01431	8.8
337.27362	100.0
340.39578	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	452.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42790	0.2
51.02379	0.4
53.03928	0.7
62.15143	0.2
69.26064	0.3
69.26471	0.9
77.03899	1.0
79.05488	4.3
81.07053	0.2
87.04470	1.2
89.06027	7.6
91.05466	1.4
93.07043	3.0
95.04967	3.1
98.23468	0.4
103.05466	3.8
105.04523	1.2
105.07021	100.0
106.07365	2.0
107.07103	0.3
119.04916	0.3
119.08588	0.5
121.06496	12.5
122.06783	0.2
124.04013	0.3
129.06995	0.5
130.53766	0.2
131.08566	0.5
133.08580	3.5
135.08006	0.3
139.07516	1.0
147.08043	2.9
149.09586	0.6
156.79784	0.2
161.75404	0.2
165.09108	5.1
166.72588	0.2
167.10641	0.2
183.10085	0.3
207.10098	0.2
209.11517	0.4
209.13344	1.5
223.11192	0.6
225.12711	0.5
227.12755	38.1
228.13123	1.2
251.14200	0.4
329.17706	0.2
331.18988	2.8
337.27515	0.2
370.70667	0.2
452.27692	0.4
457.00903	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	452.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03937	0.6
67.05496	0.4
72.29688	0.3
74.64952	0.3
77.03936	1.0
79.05490	4.9
81.07072	0.4
87.04470	1.5
89.06027	8.6
91.05489	2.0
93.07044	2.9
95.04955	3.0
95.08594	0.4
103.05461	4.1
104.16333	0.3
105.07024	100.0
106.07372	2.0
119.08582	0.5
121.06502	13.4
129.07027	0.5
131.08563	0.5
133.08603	4.2
135.08041	0.4
139.07556	0.7
147.08075	2.5
149.09514	0.3
165.09097	5.2
209.11514	0.5
209.13400	1.5
217.99130	0.3
223.11172	0.5
225.58102	0.3
227.12759	37.5
228.13194	1.2
251.14297	0.4
273.24408	0.4
331.19144	1.6
337.27216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87153	0.5
70.50327	1.1
73.08748	0.5
73.09753	0.6
84.08145	1.5
98.22732	0.7
127.00040	1.4
134.45769	0.5
167.03192	1.5
185.04230	1.6
191.19002	0.5
205.04706	8.8
227.05225	7.0
271.04211	14.0
272.04749	0.6
367.09927	6.3
391.09909	0.7
409.11005	31.5
410.11224	2.0
413.32330	0.6
453.09927	100.0
454.10178	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	453.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.9
55.54144	0.5
63.29032	0.6
67.05499	0.8
69.03418	1.3
70.06576	1.2
70.43128	0.8
81.03409	0.8
81.07049	1.1
84.08129	1.0
85.02921	1.1
86.09675	1.1
93.07113	0.6
95.08588	1.4
97.02851	0.9
97.06533	5.4
110.07153	1.3
121.02847	1.0
123.08042	1.2
127.00007	0.7
127.03894	0.9
141.09079	5.9
159.10184	1.1
163.03821	0.6
166.41946	0.6
167.03116	1.3
175.06827	0.7
185.04124	1.5
205.04724	8.4
205.27248	0.6
210.14766	0.7
215.56029	0.6
219.10338	0.6
227.05293	7.8
271.04211	14.5
283.02911	0.6
321.55936	0.7
367.09998	5.8
409.11032	38.4
410.11206	1.3
435.20364	1.2
437.80225	0.6
452.24271	0.9
453.09909	100.0
453.22287	2.8
454.10187	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	453.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01183	1.8
68.84017	1.9
68.99776	2.2
70.06586	5.0
71.41265	2.5
103.05459	3.6
105.03380	3.3
105.06995	2.5
107.01334	3.5
131.04903	13.0
158.06023	6.4
181.19814	2.1
186.05481	9.6
191.09410	4.2
202.99838	3.4
203.08138	43.4
204.06592	12.7
218.08104	8.4
220.41434	2.2
221.00772	5.3
227.05795	19.6
228.06409	4.3
231.07707	2.0
235.10751	100.0
236.10938	3.1
246.07446	3.6
248.01903	7.8
254.04497	27.6
262.03485	2.3
263.10233	3.6
269.04349	3.2
271.07184	25.4
272.05521	5.9
272.08005	2.7
286.07062	5.4
299.06375	3.0
306.12564	4.0
314.06516	8.2
331.09222	98.5
332.09406	6.2
349.10245	20.8
453.09305	5.6
471.20737	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	453.1904
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
56.96590	0.6
58.19695	0.5
62.98167	0.5
65.51487	0.5
70.06590	2.6
70.82209	1.0
152.06621	0.5
169.09381	0.6
175.11914	1.7
177.01048	0.7
186.70090	0.6
197.07686	1.0
201.05785	0.8
208.04218	1.3
209.02675	0.6
210.05742	3.9
211.04031	0.8
213.05721	2.4
215.08620	0.8
216.98734	1.1
222.05775	0.6
223.48680	0.6
225.06827	0.5
226.03902	0.8
229.05272	0.6
231.06554	0.8
234.99756	1.3
237.06712	0.6
238.05119	2.9
240.06862	2.0
243.06932	0.9
244.05199	0.7
252.10271	0.7
255.08023	5.4
256.06293	2.3
259.08881	0.8
261.10550	0.9
262.05386	1.0
262.08865	0.9
268.09949	1.0
273.08313	1.7
274.07361	2.8
277.09985	1.5
278.08435	1.5
279.07977	1.6
279.11557	2.2
280.07150	2.2
280.09973	4.1
281.08218	1.0
289.09885	0.9
292.10172	0.6
295.06854	0.6
296.09540	1.0
297.08865	3.2
297.12677	2.1
298.07452	3.7
298.10983	1.5
299.09375	2.0
304.11026	4.9
305.06436	0.7
305.09207	3.3
306.12610	3.6
307.10904	1.3
309.12366	2.9
315.09879	2.3
315.13177	0.8
316.10947	1.5
317.09512	1.1
322.11905	2.6
323.10403	6.2
324.13605	3.3
325.12668	0.9
327.13608	9.9
331.12082	1.4
333.13684	6.9
334.12018	13.8
335.10797	2.0
336.10446	0.7
340.13190	1.3
349.13113	0.8
350.11426	0.8
351.10138	2.3
351.14685	29.4
352.13013	18.3
353.11435	12.2
353.15347	0.8
354.11865	1.7
358.13269	2.6
359.11505	1.2
360.76999	0.7
367.14474	0.7
369.15640	25.4
370.14139	9.7
371.14255	0.8
373.08688	0.6
376.14258	7.8
377.12674	3.9
387.16922	1.3
393.16870	10.1
394.15259	25.7
395.15366	3.4
411.17465	41.8
412.17206	5.1
453.19052	100.0
454.19186	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	453.2096
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
63.63395	0.4
68.85238	0.4
69.03425	0.5
69.07066	0.4
70.06590	1.5
70.12249	0.8
70.12595	0.6
71.50380	0.3
72.08143	0.5
79.05517	0.5
81.03409	0.6
84.08134	0.6
84.42699	0.5
86.09716	1.1
93.07048	0.4
97.02932	0.4
97.06478	0.5
115.08701	0.4
123.08162	0.4
138.26501	0.3
148.00246	0.4
221.04146	0.4
229.46393	0.4
265.92017	0.4
293.46078	0.4
317.06354	0.7
335.07269	7.0
335.10889	0.5
336.07861	0.3
421.09143	0.7
433.65112	0.4
435.20187	1.6
453.20929	100.0
454.21320	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	453.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
57.07069	2.8
66.11788	0.8
67.05482	1.1
69.07058	1.1
69.60229	3.4
71.08621	3.0
79.05482	0.9
81.07057	2.9
83.08639	0.8
85.10176	1.2
89.06016	5.7
91.05457	1.4
93.07037	3.1
95.04977	1.7
95.08587	0.9
105.07027	1.6
106.03940	1.8
107.08576	1.6
110.74415	0.8
117.60513	0.8
119.08627	1.5
121.10123	0.8
133.08548	2.2
165.05232	0.9
239.14856	1.4
240.15263	0.8
309.21631	0.8
393.27585	91.2
394.27875	5.8
436.37222	1.6
453.29663	100.0
454.29901	6.7
476.74771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2976
Annotation	Chabrolobenzoquinone F
Peak:m/z	Relative Intensity
55.05515	1.5
56.83321	1.2
57.07082	5.8
58.07401	2.2
63.56694	1.3
66.26660	1.2
67.05496	2.1
69.07065	1.5
69.21630	7.1
71.08620	3.7
72.08966	2.3
79.05519	1.4
81.07043	5.5
85.10172	2.6
89.06026	11.1
90.06356	2.5
91.05499	1.1
93.07056	2.8
95.08627	2.0
105.07021	1.7
107.08582	2.2
119.08565	2.3
121.10167	1.5
133.08604	3.7
134.08971	1.9
176.71504	1.2
291.68372	1.3
362.66229	1.3
393.27606	100.0
394.27817	6.5
453.29660	55.9
454.30060	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	454.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01876	9.7
55.05501	3.7
57.03429	8.8
58.02942	1.1
61.02929	5.8
64.61603	1.1
67.02708	1.0
67.05524	1.3
68.99780	3.7
69.03424	33.2
69.05781	2.0
69.06173	7.8
69.07075	2.7
71.04988	8.1
73.02911	10.6
79.05451	1.3
81.03417	30.7
83.04969	1.8
83.08623	1.8
84.55232	1.1
85.02898	100.0
85.46071	1.1
87.00819	36.7
87.01321	2.2
87.04457	1.9
87.55061	1.1
91.03967	1.9
94.33485	1.1
97.02882	33.3
99.04448	14.3
100.11246	8.5
101.08878	1.1
103.03939	2.4
105.01860	37.6
108.04476	4.3
109.02872	32.2
110.06068	1.1
111.04395	2.0
115.03938	2.2
117.01850	5.0
118.36335	1.1
119.04911	1.7
119.08495	1.3
121.02848	7.9
122.03185	2.7
124.03940	3.2
125.35493	1.0
126.05497	3.0
127.03903	65.6
128.04254	1.4
128.06189	1.4
129.01845	5.9
129.05482	1.3
129.06985	14.6
131.04915	1.2
138.05505	9.7
139.11169	1.9
144.10176	4.3
145.04948	36.3
147.02881	5.6
147.04395	1.8
151.61217	1.1
157.06470	16.4
158.07260	6.8
159.02863	22.1
171.02760	1.4
171.08014	1.9
174.06769	24.0
177.03905	1.6
182.15457	2.2
187.07648	1.2
189.03935	4.9
189.09087	98.9
190.09396	3.4
201.09074	1.8
210.14903	3.5
213.03918	2.1
213.09099	4.5
230.06593	2.5
231.04980	13.2
231.10184	3.5
248.07602	2.8
249.06039	1.2
255.10130	5.6
279.10178	5.5
297.11151	3.2
308.67007	1.2
321.04318	2.9
338.01059	3.0
339.05368	4.5
356.01889	2.5
357.06430	27.7
375.07550	7.5
381.68414	1.1
408.18924	1.3
411.20047	1.4
413.08676	6.2
431.10153	3.9
436.33441	1.3
453.34286	3.2
453.84634	2.5
454.09637	4.4
454.34399	2.8
455.18881	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	454.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
78.57059	2.4
103.05458	29.2
105.03362	6.0
113.02341	3.0
115.05457	6.2
129.06995	5.6
131.04922	100.0
132.05255	3.7
139.05412	3.8
141.06998	3.3
145.06465	8.9
147.08037	10.5
154.94475	2.5
155.04910	6.7
157.06519	3.1
169.06532	3.0
171.04390	4.4
183.04431	10.4
185.05986	3.7
187.07544	5.5
195.04364	3.4
197.05952	6.7
199.03917	6.6
199.07526	3.7
201.05496	4.8
213.05473	3.3
214.06267	4.9
215.07065	7.0
217.08528	3.1
224.42621	3.2
225.05640	4.4
226.02708	3.4
229.08466	6.1
241.04967	25.9
244.03680	9.3
245.08043	13.8
251.03389	6.6
255.06575	17.3
273.07565	35.6
283.05981	5.6
290.04544	3.3
299.10522	4.2
299.25745	5.4
304.97568	2.6
315.08621	32.6
327.10071	4.1
331.11777	4.6
355.09766	3.5
359.12714	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	454.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
58.94941	0.1
67.05509	0.3
78.03442	1.2
79.05489	0.2
80.05005	2.9
80.93664	0.1
81.07047	0.2
88.31607	0.1
91.05473	0.6
93.07042	0.4
95.08594	0.4
96.04483	2.2
105.07030	0.3
106.02901	1.7
107.08597	0.4
109.10125	0.2
117.07005	0.3
118.97155	0.1
119.08587	0.7
121.10083	0.3
123.08113	0.2
123.43309	0.1
124.03944	100.0
125.04276	1.8
131.08548	0.3
133.10107	0.2
143.08545	0.3
145.10080	0.3
157.10150	0.3
159.11629	0.2
169.10178	0.2
183.11652	0.2
185.13280	0.2
189.09036	0.2
204.36617	0.1
331.19052	0.3
336.82770	0.1
384.31348	0.1
389.05350	0.2
452.13440	0.1
454.22211	3.8
455.22534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.1
51.02372	0.1
52.03148	0.1
53.03939	0.2
55.05498	0.1
56.12555	0.1
56.38673	0.1
64.42200	0.0
67.05494	0.2
68.05020	0.1
69.03426	0.1
69.07049	0.1
71.43909	0.1
78.03452	1.1
79.04240	0.2
79.05486	0.2
80.05016	4.8
81.03408	0.2
81.05344	0.1
81.05774	0.1
81.07072	0.4
83.08620	0.0
85.89207	0.0
91.05479	0.2
93.07039	0.3
93.83189	0.1
95.04980	0.1
95.08572	0.3
96.04491	3.8
97.02869	0.1
97.04852	0.1
105.07021	0.3
106.02910	1.2
107.08575	0.3
108.04470	0.1
109.10167	0.1
117.07019	0.1
119.08585	0.5
121.06509	0.1
121.10122	0.2
123.11696	0.2
124.03948	100.0
125.04282	1.7
125.05965	0.1
127.03901	0.1
128.06149	0.1
129.07004	0.2
131.08594	0.4
133.10156	0.3
135.08080	0.1
140.03401	0.2
141.06995	0.1
142.07758	0.1
143.08571	0.2
145.10114	0.5
147.08075	0.1
147.11711	0.2
149.09653	0.1
149.13287	0.1
155.08522	0.2
156.09334	0.1
157.10156	0.5
158.10799	0.1
159.08037	0.1
159.11646	0.4
161.09619	0.1
167.08511	0.1
169.10143	0.4
170.10919	0.2
171.11678	0.6
173.09647	0.2
173.13298	0.3
175.11249	0.1
179.08542	0.1
181.10156	0.1
182.10919	0.1
183.11641	0.3
184.12473	0.1
185.13275	0.2
187.11186	0.2
187.14767	0.4
188.11855	0.1
189.09056	0.1
189.12752	0.1
193.10114	0.2
194.10782	0.1
195.11723	0.2
196.12405	0.1
197.09506	0.1
197.13205	0.4
198.13829	0.1
199.11209	0.1
199.14923	0.1
201.09085	0.1
201.12738	0.2
201.16418	0.1
203.10637	0.1
205.15919	0.1
206.10960	0.1
207.11702	0.2
209.13249	0.3
209.48007	0.1
210.13739	0.1
211.11198	0.2
211.14815	0.8
213.12798	0.1
213.16374	0.2
215.10693	0.1
215.14310	0.9
216.14940	0.1
217.15866	0.1
220.12445	0.1
221.13251	0.2
223.14877	0.1
225.12746	0.1
225.16444	0.2
229.12199	0.1
229.15817	0.2
231.10104	0.2
235.14873	0.4
237.12730	0.1
237.16475	0.1
239.17982	0.1
249.16397	0.2
253.12267	0.1
253.15929	0.3
255.13806	0.3
257.11700	0.1
267.17465	0.2
271.13751	0.1
271.16824	0.3
274.11572	0.1
280.14423	0.1
285.15103	0.1
285.18503	0.2
289.17972	0.1
292.16946	0.2
295.16937	0.9
303.19562	0.1
313.17966	2.3
314.18329	0.1
331.19025	0.7
339.19315	0.1
365.19250	0.1
436.21176	1.6
437.21497	0.1
454.22241	3.5
455.22589	0.3
478.57806	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	454.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.0
52.01913	0.1
52.03134	0.0
53.03927	0.2
55.05493	0.1
67.05495	0.1
68.05013	0.1
69.03410	0.0
69.07044	0.0
70.74634	0.1
76.93347	0.0
78.03450	0.8
79.04232	0.2
79.05480	0.1
80.05012	4.4
81.07056	0.2
83.04994	0.2
84.63731	0.0
91.05470	0.2
93.07031	0.2
95.04968	0.1
95.08599	0.2
96.04487	3.6
97.02829	0.1
97.04860	0.1
97.06459	0.0
103.72186	0.0
105.07003	0.3
106.02901	0.6
107.08574	0.1
107.46796	0.0
109.06538	0.1
109.10108	0.0
111.04443	0.1
111.08078	0.1
113.06081	0.0
118.39642	0.0
119.08574	0.7
121.10117	0.1
124.03940	100.0
125.04276	1.8
128.06136	0.1
129.07077	0.1
131.08603	0.2
133.10136	0.1
140.03355	0.2
141.05505	0.1
141.06946	0.1
142.07753	0.1
143.08545	0.2
144.09274	0.0
145.10078	0.2
147.08112	0.1
147.11707	0.0
149.02295	0.0
149.09601	0.0
155.06966	0.1
155.08521	0.1
156.09233	0.1
157.10127	0.3
159.11649	0.3
161.09636	0.1
161.13232	0.1
169.10147	0.2
170.10826	0.1
171.11607	0.2
173.09552	0.0
173.13266	0.2
179.08502	0.1
181.10062	0.1
182.10944	0.1
183.11650	0.2
185.13283	0.1
187.11150	0.1
187.14828	0.1
193.10179	0.1
194.10660	0.0
195.11659	0.1
196.12444	0.0
197.13254	0.2
199.14752	0.0
201.12691	0.1
203.55968	0.0
206.08163	0.1
207.11739	0.1
209.13269	0.1
211.14708	0.0
220.12590	0.1
225.16324	0.1
235.14847	0.1
239.17952	0.1
249.16611	0.1
267.17468	0.0
285.18442	0.1
295.17279	0.0
301.21268	0.0
313.17902	0.3
316.07803	0.0
331.18747	0.1
390.20587	0.1
408.21774	0.1
454.22198	10.3
455.22571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
52.01896	0.1
52.03166	0.1
53.03933	0.3
54.04822	0.1
54.47984	0.1
55.05497	0.2
67.05494	0.2
68.05010	0.2
69.03406	0.1
69.07050	0.1
71.13829	0.1
71.43134	0.1
78.03445	0.9
79.04200	0.1
79.05484	0.1
80.05013	4.5
81.03428	0.2
81.07056	0.5
83.04977	0.1
91.05460	0.2
93.07027	0.3
95.04958	0.1
95.08588	0.3
96.04487	3.7
105.07024	0.3
106.02908	1.0
107.08561	0.3
109.06527	0.1
109.10162	0.1
111.08058	0.1
117.07001	0.1
119.06036	0.1
119.08540	0.5
121.06512	0.1
121.10152	0.3
123.11692	0.1
124.03942	100.0
125.04286	1.4
127.03888	0.2
129.07034	0.1
131.08551	0.4
133.10139	0.3
135.08064	0.2
140.03447	0.2
142.07809	0.1
143.08565	0.2
145.10109	0.4
147.11708	0.2
149.09615	0.1
149.13268	0.2
155.08534	0.2
156.09309	0.1
157.10133	0.4
159.07948	0.1
159.11612	0.4
161.09593	0.1
169.10149	0.3
170.10852	0.1
171.11681	0.4
173.09644	0.2
173.13274	0.3
175.11101	0.1
179.08501	0.1
181.08653	0.1
181.10179	0.2
182.10913	0.1
183.11667	0.3
185.13257	0.1
187.11188	0.1
187.14818	0.2
189.12683	0.1
193.10092	0.1
195.11691	0.2
196.12422	0.1
197.13266	0.2
200.15157	0.1
201.12758	0.1
205.15807	0.2
207.11780	0.1
209.13234	0.1
211.11270	0.1
211.14801	0.5
213.16367	0.2
215.10876	0.1
215.14299	0.4
221.11662	0.1
223.11296	0.1
225.16342	0.2
229.15805	0.1
231.10120	0.1
235.14717	0.5
239.18169	0.1
249.16449	0.2
253.12204	0.2
253.15878	0.2
255.13850	0.1
267.17459	0.2
271.16986	0.2
285.18500	0.3
289.17911	0.1
295.16928	0.6
303.19550	0.1
313.17935	1.3
314.18350	0.1
331.19037	1.3
436.21271	0.7
454.22217	5.0
455.22467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40598	0.1
52.06546	0.1
53.03932	0.1
55.05507	0.7
57.07064	0.1
60.49679	0.1
64.36373	0.1
67.05488	0.3
68.05029	0.1
69.03434	0.3
69.07063	1.7
70.06563	0.1
71.41998	0.1
76.55888	0.1
78.03440	1.0
79.04220	0.2
79.05482	0.1
80.05007	4.1
81.03398	0.1
81.07035	0.2
83.04986	0.2
83.08619	0.4
84.04416	0.1
84.77892	0.1
85.02877	0.3
85.06519	0.1
87.00813	0.2
87.04461	0.3
91.05476	0.4
93.07035	0.4
93.88261	0.1
95.08605	0.2
96.04488	3.0
97.02889	0.2
98.09648	0.1
100.07571	0.2
100.11243	1.4
105.07016	0.3
106.02898	2.1
107.08582	0.2
109.10159	0.2
110.06042	0.2
111.04443	0.4
111.11692	0.8
117.07033	0.1
119.08574	0.5
121.02892	0.2
121.06509	0.1
121.10146	0.2
124.03938	100.0
125.04269	1.7
126.09168	0.2
127.03890	0.2
128.07028	0.1
129.06982	0.1
131.08577	0.2
133.10130	0.3
135.08104	0.1
137.09630	0.2
138.05484	4.2
140.03403	0.2
143.08516	0.2
145.10081	0.3
147.04340	0.2
149.02330	0.6
150.02672	0.4
155.08539	0.2
157.10124	0.3
159.11656	0.2
165.09059	0.1
167.08563	0.7
169.10130	0.1
171.11597	0.2
171.13765	0.8
173.13196	0.1
182.15372	1.7
183.15674	0.1
185.13332	0.3
189.14885	0.2
192.09230	0.1
195.11655	0.2
197.13309	0.3
199.18073	0.1
203.14232	0.1
207.06419	0.1
207.11667	0.1
209.16524	0.2
210.14879	1.4
211.14920	0.2
225.12865	0.1
225.16185	0.1
227.17549	0.2
235.14931	0.1
249.16316	0.2
249.89120	0.1
268.21442	0.2
271.16708	0.1
277.15967	0.1
285.14777	0.1
285.18372	0.2
295.16901	0.3
301.17465	0.2
313.17993	0.6
326.27875	0.1
331.74576	0.1
337.21500	0.1
381.29880	0.2
436.21307	1.1
437.21475	0.2
454.22046	2.8
454.34146	0.2
455.13278	0.2
455.22726	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	454.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70349	0.1
53.03948	0.2
60.15971	0.2
69.98297	0.3
78.03438	1.0
79.04222	0.1
80.04544	0.2
80.05009	3.4
96.04481	2.3
106.02896	0.9
108.43548	0.1
110.94289	0.1
119.08570	0.2
124.03939	100.0
125.03517	0.2
125.04277	1.9
140.03453	0.2
180.69293	0.1
313.17911	0.2
454.22198	18.1
455.22437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
62.44094	0.1
69.53065	0.3
69.53445	0.5
73.07321	0.1
78.03455	0.7
79.04205	0.2
79.64564	0.1
80.05013	3.4
81.05403	0.2
91.45593	0.1
96.04488	2.5
98.23421	0.2
106.02901	0.5
119.08598	0.2
124.03943	100.0
125.04285	1.9
140.03346	0.2
170.13547	0.1
181.83403	0.1
452.53082	0.1
454.22208	18.1
455.22375	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	454.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.1
50.24484	0.1
50.24736	0.1
51.02380	0.2
52.03142	0.1
53.03701	0.1
53.03936	0.4
55.01861	0.3
55.05258	0.1
55.05508	1.5
55.54091	0.1
57.03420	0.3
57.07048	0.1
59.04134	0.1
63.02378	0.1
65.03925	0.3
66.40805	0.1
67.05503	1.4
68.75121	0.1
69.03423	3.7
69.07056	0.6
70.91208	0.1
71.01369	0.1
71.04984	0.3
77.03945	0.1
78.03448	4.4
79.04208	0.2
79.05486	1.6
80.05015	3.7
81.03412	3.3
81.07048	1.7
83.04973	2.8
83.08614	0.2
85.02895	0.1
91.05476	2.4
93.07046	1.9
95.04967	1.4
95.08603	1.4
96.04490	3.1
97.06517	0.4
99.04453	0.2
103.05465	0.4
105.04519	0.1
105.07019	3.5
106.02909	10.6
107.03257	0.2
107.04966	0.7
107.08585	1.6
108.04475	0.3
109.06524	0.8
109.10142	0.5
111.04435	3.4
111.08042	0.2
113.05991	0.4
115.05447	0.4
116.06203	0.1
117.07009	1.6
119.04961	0.1
119.08565	3.0
120.08896	0.1
121.06502	0.9
121.10144	0.9
123.04420	0.2
123.08070	0.3
124.03944	100.0
125.04282	1.3
125.05949	0.2
128.06203	0.8
129.07001	1.8
130.06560	0.5
130.07774	0.3
131.04915	0.4
131.08556	2.8
132.08885	0.1
133.06490	0.7
133.10121	1.8
135.08044	0.5
135.11658	0.3
137.09584	0.3
139.07466	0.1
140.03374	0.1
141.06975	1.0
142.07765	1.5
143.08557	3.3
144.09299	0.4
145.06503	0.7
145.10115	3.2
147.08070	0.8
147.11665	0.8
149.06018	0.1
149.09596	0.5
151.07497	0.2
152.06160	0.2
153.06987	0.6
154.07764	0.3
155.08556	2.1
156.09329	1.1
157.06479	0.2
157.10124	4.2
158.10793	0.3
159.08017	0.5
159.11670	2.6
160.12000	0.2
161.09641	0.8
161.13225	0.6
163.07446	0.1
163.11195	0.4
163.14912	0.1
164.03386	0.1
165.06975	0.9
165.09126	0.2
166.07753	0.5
167.08551	1.2
168.09393	0.6
169.06418	0.2
169.10112	2.6
170.10884	0.8
171.08055	0.4
171.11668	2.3
173.09567	0.8
173.13235	1.5
175.11195	0.8
175.14822	1.0
178.07751	0.5
178.73068	0.1
179.08536	1.2
180.09363	0.6
181.10091	1.9
182.10832	0.7
183.08049	0.2
183.11682	2.4
184.12363	0.3
185.09651	0.7
185.13242	2.7
186.13776	0.1
187.11189	0.9
187.14810	0.4
189.12738	0.6
191.08577	0.3
191.14267	0.2
192.09299	0.6
193.10130	1.4
194.10915	0.8
195.08052	0.2
195.11697	1.7
196.08864	0.1
196.12402	0.4
197.09543	0.7
197.13217	1.8
198.10423	0.2
199.11179	0.8
199.14815	1.2
201.09108	0.2
201.12700	0.9
203.08604	0.2
203.10617	0.2
203.14291	2.6
204.09450	0.1
205.10123	0.5
205.12094	0.2
206.10898	0.5
207.11696	1.6
208.12421	0.4
209.09581	0.4
209.13242	2.0
210.10277	0.1
210.13715	0.1
211.11169	0.6
211.14743	0.7
212.12047	0.2
213.12686	1.1
213.16287	0.1
214.13406	0.1
215.10678	0.2
215.14288	0.3
217.10056	0.2
217.15915	0.1
218.10887	0.5
219.11658	0.7
219.13832	0.3
220.12489	0.4
221.09703	0.2
221.13222	0.8
221.15384	0.3
222.13840	0.1
223.11180	0.3
223.14778	1.5
225.12773	0.9
225.16357	0.3
227.10759	0.1
227.14256	1.9
229.12161	0.2
229.15904	0.3
231.11743	0.2
231.13821	0.7
232.12285	0.2
233.13219	0.7
234.13960	0.5
235.11121	0.3
235.14786	0.5
236.11948	0.2
237.12720	0.4
237.16386	0.3
239.10616	0.1
239.14275	0.4
239.17923	0.4
241.15849	0.3
243.13747	0.2
244.12518	0.1
245.15373	0.7
247.14786	0.2
249.12730	0.2
249.16411	1.0
250.16795	0.1
251.14301	1.3
252.14804	0.2
253.12265	0.3
253.15771	0.5
255.17105	0.1
257.15457	0.1
259.14853	0.3
265.15860	0.3
267.17395	1.7
269.15341	1.0
271.17081	0.2
277.15842	1.2
283.16855	0.3
285.18552	0.6
295.16925	3.1
296.17227	0.2
305.05530	0.2
313.17953	2.9
313.21396	0.2
314.18329	0.2
326.17413	0.6
331.18945	1.1
342.16843	0.2
344.18481	0.8
351.06064	0.2
354.16940	0.2
368.18201	0.2
392.18628	0.2
418.20056	0.3
436.21158	2.4
437.21262	0.2
454.22208	11.5
455.22568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97834	0.3
52.48307	0.3
53.03929	0.4
55.05511	0.3
57.07039	0.4
67.05494	0.5
69.74918	0.5
69.75300	0.6
78.03455	1.3
79.05505	0.3
80.05021	3.6
81.07023	0.6
91.05470	0.8
93.07004	0.4
95.48579	0.2
96.04504	3.0
105.07040	0.8
106.02910	3.1
107.08612	0.6
109.10166	0.5
111.04518	0.2
114.25911	0.3
119.08603	1.4
121.06464	0.2
121.10144	0.3
124.03950	100.0
125.04270	1.9
129.07074	0.2
131.08557	0.5
133.10132	0.7
143.08591	0.4
145.10118	0.8
147.11665	0.3
149.02338	0.5
157.10149	0.3
159.11642	0.8
161.13181	0.3
171.11595	0.3
173.13263	0.3
183.11601	0.4
189.16371	0.5
193.04958	0.4
212.05974	0.3
273.14902	0.8
313.18005	0.6
397.12192	0.2
437.17764	0.6
454.22238	12.5
455.22546	1.0
476.94418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09520	0.2
57.07079	0.3
59.54229	0.2
65.03946	0.3
66.57863	0.2
67.05505	0.3
70.06584	0.9
70.76998	0.2
72.08163	0.2
84.08184	0.2
91.05491	0.2
92.04990	0.4
93.05738	0.2
94.06569	2.9
96.03918	0.2
96.04514	0.6
100.11235	0.3
110.06037	2.4
111.04438	0.2
124.03938	0.5
132.10204	0.3
138.05495	100.0
139.05884	1.7
140.07114	0.2
146.11804	0.3
147.04413	0.5
149.02345	3.7
149.03418	0.2
171.11575	0.2
175.03847	0.3
176.11351	0.2
193.04965	4.4
200.20013	0.4
207.06482	0.3
237.07550	4.5
244.22687	2.2
281.10080	0.3
309.56375	0.2
354.90997	0.2
454.11475	0.4
454.26132	11.7
455.26099	0.7
456.81320	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	454.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
55.05508	1.2
55.05995	0.5
57.07064	0.7
61.23249	0.4
67.05515	2.3
69.07063	3.5
69.62209	1.3
71.04939	0.5
79.05489	2.6
81.07047	1.9
83.04967	0.7
83.08624	0.8
85.02867	0.7
91.05473	2.6
92.83913	0.4
93.07037	6.0
95.04951	1.3
95.08607	3.9
97.02876	2.1
97.06551	0.9
98.60378	0.4
105.03387	1.9
105.04469	0.6
105.07027	3.0
106.03724	0.5
107.08598	2.7
109.10126	0.9
111.08017	0.8
113.25583	0.5
115.07557	1.0
117.06931	0.7
119.08575	5.1
119.92841	0.5
121.06563	0.5
121.10117	1.0
123.08071	0.7
124.03937	3.5
128.06290	0.5
129.06998	0.7
129.09138	2.4
130.07762	0.7
131.08556	3.0
133.10109	1.9
135.08009	0.5
139.07516	1.0
141.06934	0.6
142.07768	1.9
143.08560	2.6
144.09288	0.9
145.10121	8.3
153.06940	0.9
155.08504	1.4
156.09337	3.0
157.10132	8.8
159.11673	8.6
167.08588	1.4
169.10065	2.6
170.10893	6.2
171.11674	15.7
172.12175	0.9
173.13252	2.0
179.08522	1.0
180.09280	1.4
181.10100	2.3
182.10748	0.5
183.11662	2.7
184.12453	1.6
185.11705	0.8
185.13245	8.9
186.13977	3.0
187.14763	1.9
193.10133	1.4
194.10782	1.1
195.11681	7.0
197.13235	4.5
198.14182	0.6
199.14793	6.3
200.15198	0.6
207.11700	1.7
208.12447	1.1
209.13231	4.7
211.14865	1.0
213.16405	0.8
220.12407	0.7
221.13187	0.6
222.14011	1.5
223.14804	1.1
235.14822	2.3
237.12685	0.7
237.16348	5.5
238.16818	0.6
241.12196	1.1
251.17899	1.3
253.15962	0.5
255.13841	0.7
255.17393	1.2
279.17474	1.1
297.18365	3.4
315.19507	100.0
316.19836	5.7
395.29068	0.7
454.25803	6.3
455.31326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58721	9.8
55.05515	23.2
57.03428	12.4
61.02910	11.3
63.61823	9.3
67.46317	11.5
69.03426	31.3
69.07072	41.2
71.43314	11.5
73.02916	56.3
81.41039	10.2
83.08637	13.1
85.02898	100.0
87.91545	10.3
94.55731	10.5
97.02888	57.6
100.11250	44.6
101.60246	9.6
111.11678	19.7
115.03938	23.6
124.03960	41.5
127.03929	37.7
133.04990	43.2
145.04990	46.9
163.06004	33.7
164.09175	14.7
168.18442	9.8
182.15385	24.3
182.34703	10.5
210.14922	16.9
223.05904	11.0
241.06857	12.7
297.97385	10.8
340.01343	12.3
454.26694	24.3
470.03812	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	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05510	3.0
57.03431	5.0
57.07074	22.7
62.06085	26.8
67.05497	5.5
69.07064	2.9
69.88763	2.9
71.08225	0.9
71.08625	17.4
79.05462	1.6
81.06615	1.2
81.07052	9.9
83.08620	4.4
85.10178	10.5
89.06029	2.0
91.05508	0.8
93.07034	2.0
95.04966	2.7
95.08602	10.3
97.10184	2.0
98.98463	6.6
105.03388	21.1
105.04482	1.9
105.07034	1.9
107.08554	1.0
109.10152	5.5
119.08613	1.8
123.11730	1.6
124.01608	1.6
124.03947	2.6
133.10114	1.2
139.13870	0.9
143.08508	0.9
143.13905	0.8
145.10120	1.7
155.01030	8.2
155.08537	0.9
157.10123	1.7
159.11691	1.9
173.13425	1.1
198.05202	1.6
216.06308	2.1
239.23767	1.7
273.18549	1.1
282.27914	11.8
297.18420	4.8
313.27332	100.0
314.27667	3.5
393.23972	4.4
436.28165	2.3
454.29739	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.2
57.07074	37.4
68.59634	1.2
69.07041	1.6
69.88628	4.7
71.08630	27.3
71.08992	2.4
73.06557	6.1
83.08649	2.7
85.10181	22.6
87.04488	3.4
89.06029	100.0
97.10153	2.6
99.11750	3.0
107.07070	3.6
113.13225	1.6
117.09113	4.0
130.08678	1.9
133.08594	48.3
133.09555	2.7
143.99501	1.4
155.17928	4.0
177.11206	18.2
195.12320	2.1
199.20573	3.5
239.14926	1.5
240.23422	1.4
243.23103	7.8
253.01422	1.3
276.39343	1.4
283.17566	13.2
287.26077	2.6
338.92923	1.5
349.29892	1.8
393.31775	1.9
437.34717	15.5
438.35403	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	455.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.0
55.63503	0.6
56.05832	1.9
58.95804	0.7
69.03418	1.8
69.10374	2.1
69.10797	2.1
81.07056	1.2
82.06594	1.6
83.05003	0.7
83.08622	4.1
84.08149	0.8
84.08913	1.5
85.02917	1.3
85.06524	0.7
98.58157	0.6
100.07607	1.3
100.11246	24.6
101.10986	0.7
101.11588	7.5
111.04408	2.4
112.04778	1.2
112.07603	0.7
119.08568	1.2
127.08631	0.8
128.07079	1.2
139.08691	1.7
140.07039	0.8
144.18700	0.6
167.19606	0.6
182.15382	6.0
183.15729	4.6
185.04182	8.5
209.16478	5.2
210.14874	4.3
210.16843	3.7
211.15221	4.6
217.93584	0.6
226.19083	0.8
227.19554	1.5
253.16235	0.6
292.03394	1.0
292.06354	0.6
293.04184	29.9
294.04520	1.3
306.09763	0.8
324.92368	0.6
327.28241	1.2
329.04941	0.9
337.23138	1.5
436.33624	10.3
437.33905	2.2
454.28104	1.2
454.34625	35.4
455.09448	100.0
455.34830	7.4
456.09683	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	455.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30573	0.9
53.05261	0.9
68.19093	0.9
71.18623	1.3
99.94906	1.1
101.84666	0.9
112.89598	37.4
114.89333	4.7
115.74771	1.0
137.30078	1.0
174.07442	1.0
196.87793	6.5
207.01402	1.3
208.97308	1.4
212.85194	39.5
222.98819	24.5
223.00989	1.4
336.90515	1.1
380.90259	2.0
449.87482	1.1
455.11591	100.0
456.12085	3.7
475.81149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31985	0.5
69.10179	0.5
70.47726	0.9
83.34017	0.6
99.74426	0.5
104.71825	0.6
127.00124	0.7
167.03163	0.8
167.07011	1.0
183.63373	0.7
185.04257	1.0
189.05162	0.8
206.05522	7.3
207.06273	10.7
227.05313	2.4
271.04233	5.2
271.17883	0.5
292.67996	0.6
340.24829	0.6
369.11450	6.1
370.12158	0.9
393.11740	0.8
411.12613	37.2
412.13098	1.8
455.11584	100.0
456.11984	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	455.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31252	2.6
53.17193	2.5
53.45279	2.3
63.00198	2.4
70.06583	18.5
70.27028	2.3
70.56744	4.9
80.20436	2.3
81.03451	3.2
84.08133	6.4
86.09692	7.2
87.72498	2.3
89.56481	2.6
95.06084	21.5
97.06563	4.1
97.62897	2.9
98.97552	5.9
110.07150	3.9
113.07115	46.5
116.98674	3.2
126.01057	11.4
127.03956	2.8
141.46901	3.0
143.08896	3.9
163.38129	3.0
172.38133	2.6
177.00624	3.7
181.04976	7.1
183.92575	2.5
189.05122	3.9
189.12866	2.8
209.05890	10.4
224.22977	2.9
237.05444	5.7
240.03035	2.7
241.07961	2.9
251.78770	3.0
285.10590	5.1
352.18387	3.8
411.12494	3.1
411.18253	4.2
455.13229	100.0
455.21094	47.6
456.13843	7.3
456.21420	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32666	0.4
59.88799	0.4
69.03429	0.8
70.06576	0.7
85.02901	0.7
86.09715	0.5
91.05466	0.5
93.95453	0.4
95.01647	0.5
95.06105	2.7
97.02876	0.7
106.75436	0.4
113.07137	6.6
125.07104	0.8
131.04939	0.7
143.08109	0.8
147.04485	1.4
151.03882	1.2
181.04990	1.3
189.09389	1.2
191.59595	0.4
195.73288	0.5
293.09958	1.2
293.18726	0.5
318.95056	0.6
455.15216	100.0
456.15591	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	455.1525
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
69.03454	0.5
70.06586	1.3
81.03438	0.8
81.04538	7.2
84.04505	0.6
91.05463	0.6
95.04956	0.9
95.06087	5.5
109.02896	0.5
111.04435	0.5
113.07124	0.6
125.07106	7.7
131.04996	0.6
137.63411	0.4
143.08151	21.9
147.04424	1.4
151.03906	5.5
151.05040	1.0
158.00052	0.6
293.18698	0.6
303.04529	0.5
323.11044	1.0
389.14551	0.5
438.25931	0.8
455.15247	100.0
456.15619	5.7
456.25952	0.5
462.74979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1816
Annotation	Kopsinarine
Peak:m/z	Relative Intensity
55.05514	3.3
56.05035	5.5
56.96553	2.3
67.01864	2.7
71.04990	33.0
71.42865	2.2
81.07052	5.0
91.05458	6.9
95.04929	2.2
95.08591	3.2
96.08122	2.4
98.09690	9.6
105.07022	3.3
111.69184	1.7
113.09621	10.1
119.04931	5.7
121.02872	13.1
124.03962	11.6
128.10712	1.9
138.05479	2.6
145.02859	5.1
147.04393	3.6
150.09151	3.5
154.63185	1.8
167.11803	7.2
174.09062	2.3
175.03914	3.3
195.11702	2.1
207.06529	4.9
214.08626	2.8
229.04955	2.6
238.05057	6.7
240.06552	4.2
247.06044	7.8
256.05997	15.9
257.04276	8.7
258.07617	2.5
259.07880	7.6
265.04941	8.7
266.04520	15.6
266.07788	3.1
267.06467	5.3
281.04492	10.0
290.08212	4.7
297.04565	2.1
298.06979	2.6
299.05533	3.8
308.05484	23.8
309.03845	31.4
310.06897	2.3
315.05545	4.4
316.13556	2.1
319.08426	6.9
326.06583	19.9
332.12964	5.4
333.12967	1.9
335.06799	5.9
337.10773	4.3
360.12317	7.9
362.09869	8.4
362.13916	8.1
367.96820	2.0
378.13269	2.9
379.13583	6.8
387.13321	4.9
388.11755	14.3
405.14529	13.8
406.12866	5.6
420.14450	3.5
423.15500	100.0
424.15814	6.1
455.22623	65.3
456.23163	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	455.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89560	1.0
58.36660	0.8
60.52626	0.9
67.05498	1.0
69.03431	1.3
69.21510	7.0
71.37123	1.2
75.65713	1.0
87.76025	1.0
93.06985	1.1
124.03938	2.8
182.99355	1.0
187.03603	1.6
281.21985	1.1
291.19235	5.9
339.19296	100.0
340.19638	4.7
380.21802	2.5
384.01202	1.4
455.24011	82.7
456.24103	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	455.3132
Annotation	Coenzyme Q4
Peak:m/z	Relative Intensity
75.09386	1.7
79.74010	1.9
87.06639	1.9
133.12831	1.9
337.27689	2.3
370.16931	2.4
395.29248	17.2
455.31323	100.0
456.31610	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	455.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.9
56.38676	1.1
67.05504	1.2
67.28175	1.0
79.05484	1.8
81.07056	2.9
83.01087	1.2
91.05527	1.7
93.07059	3.6
95.08615	1.7
106.91223	1.0
107.08578	1.7
119.08578	1.3
137.33678	1.0
142.69833	1.1
145.10115	1.1
318.18185	1.8
321.17358	2.3
327.23108	2.5
341.35825	1.2
395.29172	100.0
396.29416	7.4
446.68973	1.1
455.31308	41.0
456.31885	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	455.3132
Annotation	Coenzyme Q4
Peak:m/z	Relative Intensity
55.81465	0.4
56.40117	0.4
57.07055	0.8
65.53110	0.4
67.05508	0.8
79.05482	1.1
81.07061	2.1
89.06019	2.2
91.05483	1.5
93.07035	0.8
95.08616	0.8
98.22699	1.2
105.07045	1.6
107.08556	0.8
109.10172	0.6
119.08584	1.1
131.08560	0.7
133.08612	0.8
145.10110	0.5
215.52943	0.6
395.29172	24.3
396.29559	1.6
455.31290	100.0
456.31595	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	455.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.6
57.03424	3.2
57.07068	6.5
62.06077	4.6
67.05497	30.1
69.07057	13.7
69.54227	11.2
69.54635	5.5
71.08648	3.3
72.21065	4.0
79.05494	39.6
81.07057	71.1
83.08630	5.8
90.93891	2.9
91.05473	43.1
93.07037	40.3
95.04972	10.1
95.08598	32.5
102.29521	3.4
105.07024	100.0
105.07745	5.6
107.08592	47.1
109.10159	18.5
112.04861	2.8
114.24853	3.1
115.05469	6.0
115.07552	7.3
117.07023	13.9
118.07808	3.3
119.08571	52.2
120.96629	4.0
121.10168	23.0
123.11710	8.0
124.03908	5.0
128.06226	4.9
129.06995	11.1
130.07777	5.2
131.08574	22.0
133.10110	50.7
135.11711	9.5
142.07813	6.5
143.08554	16.5
144.09383	7.2
145.10107	42.7
147.11653	31.5
149.09636	3.3
149.13290	4.4
155.08536	7.7
156.09398	4.3
157.10092	31.2
159.11694	46.9
161.13281	17.8
165.09164	5.7
169.10126	13.1
171.11607	15.4
173.13214	16.4
175.14787	6.1
182.10916	3.2
183.11703	10.5
185.13220	18.5
187.14838	13.8
195.11765	8.7
197.13312	9.6
199.14771	8.7
201.16286	16.7
209.13333	6.0
211.14847	11.9
213.16389	11.8
215.17691	3.2
223.14879	5.3
225.16389	11.1
227.17871	16.4
235.22362	3.2
237.16428	4.6
239.18147	3.4
251.18112	4.4
253.19659	3.4
267.21033	9.0
279.21310	3.9
314.27695	13.2
335.27567	16.3
395.29309	6.3
450.52039	3.2
455.21680	21.9
455.31555	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	455.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49704	1.6
52.55606	1.8
53.03930	3.9
55.05504	12.3
57.07045	2.3
65.03926	3.5
67.05499	21.8
69.07062	12.8
79.05489	35.1
81.07052	63.6
83.08610	3.7
89.06017	3.7
91.04939	3.7
91.05470	47.3
93.07036	45.9
95.04946	8.4
95.08591	33.0
103.05489	3.4
105.04517	1.9
105.07021	100.0
107.08578	45.2
109.06525	2.8
109.10136	18.2
115.05439	3.5
117.07011	14.0
119.08571	53.1
121.10120	27.4
123.08002	1.9
123.11702	4.9
128.06216	5.0
129.06992	10.1
130.07790	5.0
131.08560	28.1
132.36946	1.8
133.10124	41.6
135.11690	9.3
136.18013	1.8
141.06932	3.2
142.06773	2.2
142.07742	9.7
143.08560	15.5
144.09299	6.6
145.10109	46.2
147.08002	2.7
147.11682	30.8
149.13235	4.7
155.08554	7.4
156.09291	5.6
157.10123	27.7
158.10745	2.4
159.11679	47.3
160.12370	2.4
161.13251	18.4
169.10101	11.0
171.11667	18.1
172.48674	2.0
173.13235	19.7
175.14790	6.6
181.10062	5.7
182.10774	2.5
183.11696	12.1
185.13239	17.5
187.14894	12.0
189.16225	2.6
195.11665	6.3
196.12366	4.1
197.13222	11.9
199.14824	10.7
201.16396	11.9
209.13283	5.5
210.13867	2.7
211.14786	11.1
213.16365	11.8
215.17937	3.0
223.14784	4.1
225.16359	8.7
227.17989	8.8
237.16347	2.5
239.18065	3.9
241.19511	4.0
251.17912	5.4
253.19495	2.4
255.20894	3.0
265.19446	3.2
267.21002	9.2
279.21033	5.2
293.22510	3.4
315.19501	2.4
334.98239	1.8
335.27325	12.7
395.29184	5.3
442.86734	1.8
455.31186	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	455.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.6
53.03935	2.0
54.56427	0.9
55.05252	1.5
55.05506	10.7
56.19335	1.0
57.07057	2.1
59.92630	1.1
61.71415	0.9
65.03940	2.5
67.05497	17.3
69.07058	8.9
71.08623	1.4
77.03915	1.8
79.05483	23.7
81.06566	1.9
81.07047	38.4
83.08628	5.0
87.04656	0.9
89.06047	1.8
91.05469	47.8
93.07033	33.7
93.07599	1.8
95.04959	6.6
95.08599	24.5
97.10168	2.2
103.05464	3.5
105.04536	2.2
105.07018	100.0
106.07378	2.3
107.08580	29.3
109.06512	2.5
109.10150	13.2
115.05430	2.7
116.06295	1.5
117.07008	9.1
119.06073	1.3
119.08559	34.5
120.08879	1.1
121.06505	10.0
121.10125	19.7
123.11665	4.8
124.03952	2.2
127.01550	16.7
128.06219	3.1
128.99042	1.2
129.06976	5.9
130.07799	2.9
131.08556	21.5
131.09468	1.9
133.10117	32.1
133.11128	1.6
135.11691	9.2
141.06976	2.8
142.07744	5.6
143.08539	11.8
143.40710	0.9
144.09354	2.8
145.10107	33.9
147.08034	7.4
147.11671	21.9
149.13268	4.2
151.11124	1.4
155.08516	5.4
156.09332	4.3
157.10121	16.7
158.10867	2.4
159.11676	27.4
161.13219	12.2
163.14827	1.8
167.08553	2.3
168.09319	1.5
169.10072	6.7
170.10904	2.0
171.11668	13.9
173.13220	17.1
173.14554	1.4
175.14832	4.5
179.08563	1.2
180.36703	1.0
181.10097	3.2
182.10886	3.2
183.11632	7.5
185.13234	9.8
187.14835	11.1
189.16393	4.8
195.11678	4.7
196.12427	1.9
197.13197	6.8
199.14801	8.1
201.16342	10.0
203.18034	1.4
209.13243	4.4
210.13948	1.3
211.14809	7.2
213.16356	11.2
215.17865	5.0
221.13115	1.4
223.14818	4.5
225.12839	1.7
225.16370	4.8
227.17908	7.7
228.18741	1.3
229.19502	2.7
237.16411	2.8
239.17937	4.0
241.19490	2.0
247.07288	10.7
251.17976	2.9
253.19548	4.0
255.21071	3.9
257.22583	1.1
265.19513	3.3
269.22626	5.6
279.21103	4.2
281.22458	1.8
293.22369	1.6
309.57208	1.1
335.27228	10.6
395.29355	7.6
455.31461	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	455.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
53.03937	2.8
55.05506	14.9
57.07061	2.2
65.03923	2.2
67.05503	20.9
69.05576	1.5
69.07067	13.7
69.62293	4.0
69.62698	3.1
79.05488	33.1
81.07051	70.1
83.08611	5.6
91.05474	46.0
92.05807	1.7
93.07038	47.1
95.04954	10.2
95.08603	31.6
103.05455	4.2
105.04530	2.7
105.07023	100.0
106.07354	8.9
107.04976	1.6
107.07819	2.8
107.08584	44.8
109.06524	2.0
109.10160	12.3
115.05463	3.9
116.06232	1.9
117.07018	16.5
119.08575	48.9
121.06503	3.5
121.10133	25.1
123.08098	2.4
123.11711	4.7
124.03933	3.6
128.06209	4.1
129.06989	11.6
130.07771	6.7
130.32712	1.5
131.08563	32.1
133.10127	40.4
135.04411	2.4
135.11662	7.1
141.07008	3.3
142.07808	8.3
143.08554	16.2
144.09309	8.0
145.10114	40.6
147.11676	31.1
149.09558	2.9
149.13290	2.2
155.08501	6.3
156.09348	5.7
157.10101	23.5
158.10864	3.6
159.08017	3.4
159.11678	43.8
160.12381	1.7
161.13275	16.4
165.09024	1.6
167.08540	2.2
168.09254	2.5
169.10095	12.8
170.10860	3.0
171.11679	19.6
172.12489	2.9
173.13248	14.5
175.14810	7.7
177.09100	24.0
181.10133	4.5
182.10849	1.6
183.11739	7.5
185.13274	15.9
187.14781	14.7
189.16400	2.1
195.11716	6.4
197.13254	8.5
199.14795	9.5
201.16383	11.9
209.13232	6.5
211.14848	10.5
213.16377	9.8
215.17781	1.7
223.14789	7.3
225.16365	5.8
227.18002	10.0
228.13112	2.6
234.11276	14.2
237.16313	4.4
239.17937	5.1
241.19408	2.1
251.17969	2.1
253.19470	4.4
255.21040	2.6
256.26453	2.7
265.19519	2.2
267.21042	5.3
279.21097	5.8
335.27258	11.6
395.29355	3.1
410.65338	1.9
456.40430	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	456.1653
Annotation	Sch 38519
Peak:m/z	Relative Intensity
55.01865	0.2
55.05507	0.2
62.06094	0.8
65.03961	0.2
68.99805	0.2
69.03423	0.2
69.07063	0.5
70.06593	0.2
79.05488	0.5
85.02867	0.3
86.09684	0.2
87.04462	0.2
89.06005	0.2
91.05478	0.6
95.04958	0.3
97.02878	0.4
101.05995	0.1
105.07046	0.9
107.04942	0.3
115.07512	0.2
118.04205	0.2
119.01331	0.3
119.04930	1.6
121.02862	2.2
124.03944	0.2
127.03955	0.1
131.74187	0.1
133.06451	0.5
135.04411	0.5
142.08611	1.3
145.02824	4.3
145.03934	0.3
147.00766	0.6
147.04395	0.2
153.49915	0.2
160.09665	0.6
164.04216	0.2
165.01814	5.1
169.13629	0.2
170.50822	0.2
177.05424	0.4
179.03357	0.2
181.06487	0.2
183.02898	0.5
186.82870	0.2
197.07245	0.2
210.06725	1.3
221.06042	0.7
232.41620	0.2
237.05417	2.5
238.06175	1.9
239.06953	0.7
244.09756	0.1
253.08574	2.9
265.04977	1.8
267.06436	0.3
270.05148	0.3
283.05908	0.4
294.10046	0.4
297.07535	100.0
298.07880	4.5
298.11243	0.2
307.46884	0.2
341.10117	0.2
361.99472	0.2
376.00931	0.5
380.14893	1.0
391.03342	1.2
394.02069	0.4
409.04343	0.4
424.13965	0.2
438.15448	0.7
456.16425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60144	2.1
53.03938	1.9
55.01868	2.4
55.05506	3.7
57.03444	9.1
60.40046	1.7
61.02926	10.0
61.55496	1.5
66.12688	2.0
67.05502	2.8
68.99802	2.1
69.03419	16.8
69.07052	2.1
70.06594	14.8
71.01356	2.4
71.04980	4.9
73.02913	4.9
79.05482	4.2
79.39929	1.7
81.03421	8.8
81.07048	12.8
83.01347	1.8
83.04969	2.0
83.08608	4.4
85.02902	100.0
86.00626	1.6
86.09702	7.1
87.04464	2.5
88.04012	8.7
91.03951	7.4
91.05494	5.5
93.07047	4.9
95.01324	26.6
95.04953	3.1
95.08599	4.2
97.02887	27.2
97.06542	2.7
99.04443	5.9
101.02406	3.4
103.03931	2.8
105.07034	7.0
107.04969	2.2
107.08570	3.0
109.02881	7.7
109.06525	8.3
110.07218	2.7
113.02398	5.2
115.03937	2.0
117.07077	2.9
119.08594	3.8
121.02866	5.2
121.10169	3.2
123.00784	1.9
127.03904	28.8
131.03389	1.7
131.08585	5.0
132.01157	4.8
133.10126	3.1
139.07503	1.8
141.01819	76.5
143.08577	2.8
145.04953	57.6
145.10149	5.7
151.03925	4.6
157.10101	2.9
159.02904	15.4
159.11691	2.3
163.06023	29.3
170.09276	4.0
171.11646	3.8
173.13342	2.5
177.03963	4.9
197.13310	2.7
211.14706	2.3
217.12248	3.5
227.12590	2.0
241.19469	2.3
255.06525	19.4
271.20560	2.9
289.21716	2.7
299.19949	3.4
321.08002	3.3
323.20334	2.4
365.30420	2.0
380.12143	2.9
410.23376	4.1
412.14072	4.1
420.22147	2.9
424.10834	2.4
438.23053	5.6
456.15216	9.1
456.24115	27.9
457.10269	2.4
457.24728	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.238
Annotation	Mycotrienol I
Peak:m/z	Relative Intensity
50.01581	0.4
51.02372	0.6
53.03934	0.3
55.01859	0.5
55.05502	0.6
59.04789	0.3
59.05003	3.2
65.03925	0.5
67.05486	0.7
69.03416	1.2
69.07050	0.7
73.02901	0.8
78.03455	6.2
79.05476	0.7
80.05021	3.5
81.07051	1.0
83.08611	0.3
85.02913	0.4
85.72994	0.3
89.06011	1.0
91.05476	1.9
93.07034	1.5
95.04958	0.7
95.08608	0.9
96.04492	5.0
97.02872	0.3
97.06533	0.5
105.07005	2.4
106.02913	19.6
107.08591	3.4
109.06489	0.4
109.10153	1.0
111.04438	0.4
117.07017	0.5
118.98959	2.4
119.08592	2.8
119.99301	0.6
120.98677	3.7
121.06509	0.5
121.10134	0.9
121.98967	0.4
123.11663	0.4
124.03944	100.0
124.93727	1.3
125.04277	1.3
126.93368	0.4
127.01566	5.2
128.01949	0.5
128.06274	0.3
129.06996	0.9
131.04881	0.6
131.07053	1.5
131.08554	1.9
133.10126	1.4
135.08034	1.5
135.11684	0.4
138.05453	1.6
139.07542	0.4
140.03508	0.3
141.03111	0.6
141.32405	0.3
142.07819	0.6
143.08539	1.2
144.09270	0.4
145.10081	1.8
147.11650	0.9
149.09676	0.7
155.08467	0.4
156.09351	0.7
157.10103	1.7
159.11676	1.6
161.09601	0.5
161.13235	0.4
163.11052	0.4
167.08653	0.6
169.10141	0.9
171.11714	1.1
173.09618	0.9
173.13222	0.7
175.14832	0.4
181.10201	0.3
183.11722	0.8
185.09685	0.5
185.13272	0.6
187.11182	1.0
187.14885	0.5
195.11757	0.7
197.13249	1.0
199.11217	0.5
199.14839	0.8
207.11723	0.3
209.13223	1.0
215.10716	0.9
231.13863	0.5
233.11676	0.5
235.01511	0.5
235.14883	0.5
237.95952	0.3
251.17967	0.4
279.78152	0.4
292.95648	0.6
297.18539	1.9
315.19577	0.7
344.86258	0.7
356.14987	0.6
420.21646	1.1
438.22726	31.4
439.23065	2.3
456.23566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.1
52.01900	0.1
53.03939	0.2
65.47572	0.1
68.05005	0.1
69.07799	0.4
78.03456	0.5
79.04238	0.2
80.05016	3.5
93.07044	0.1
96.03864	0.1
96.04488	2.6
98.23430	0.2
98.30665	0.1
119.08574	0.1
121.10143	0.1
124.03947	100.0
124.23854	0.1
125.04289	1.8
138.39915	0.1
140.03445	0.1
157.10133	0.1
159.11708	0.1
173.13278	0.1
185.13248	0.1
195.11755	0.1
261.90097	0.1
297.18533	0.1
315.19623	0.3
456.23779	18.3
457.24109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.44857	0.2
67.05501	0.8
69.03431	1.9
69.07055	0.2
69.37291	0.7
69.37703	0.4
70.98650	0.2
78.03439	0.9
79.04216	0.2
79.05481	0.6
80.05008	3.2
81.03408	1.5
81.07037	0.8
83.04984	1.4
89.07425	0.2
91.05466	0.9
93.07049	1.2
95.04972	0.6
95.08613	0.6
96.04491	2.7
105.07040	1.0
106.02891	1.0
107.08572	0.9
109.06541	0.3
109.10130	0.2
111.04445	1.6
113.42197	0.2
115.60720	0.2
117.07022	0.5
119.08559	0.8
121.06432	0.2
121.10134	0.3
121.63241	0.2
124.03944	100.0
125.04311	1.7
128.78178	0.2
129.06964	0.3
131.04889	0.5
131.08571	0.7
133.10117	0.6
143.08572	0.4
143.90771	0.2
145.10117	0.7
147.11684	0.2
155.08530	0.4
157.10101	0.3
159.11662	0.7
161.13287	0.4
171.11624	0.3
178.01353	0.3
182.42148	0.2
187.14815	0.9
203.14357	0.3
215.14380	0.3
287.54889	0.2
340.15421	1.0
424.13922	0.4
456.23767	52.5
457.24133	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	456.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01888	0.1
53.03951	0.1
55.05481	0.1
69.07047	0.1
69.47783	0.4
71.81232	0.1
78.03443	0.5
79.04235	0.1
79.05449	0.1
80.05009	3.4
91.05456	0.2
93.07049	0.1
95.08589	0.2
96.04485	2.6
105.07025	0.2
105.30779	0.1
117.07017	0.1
119.08572	0.2
124.03941	100.0
125.03506	0.1
125.04288	1.4
133.10114	0.2
137.05920	0.3
138.06265	0.2
140.03456	0.2
145.10124	0.2
156.09201	0.1
157.10124	0.1
173.13277	0.2
185.13269	0.1
189.16104	0.1
204.38452	0.1
215.43573	0.1
237.16429	0.2
293.72617	0.1
297.18597	0.1
315.19504	0.8
333.20560	0.1
456.23785	5.1
457.24255	0.5
463.73978	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	456.238
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71022	0.2
66.59832	0.2
70.67834	0.3
78.03445	0.8
80.05014	3.5
82.78375	0.2
83.44814	0.2
88.04835	0.2
96.04486	2.4
106.02960	0.3
109.06503	0.2
121.10103	0.2
124.03947	100.0
124.81393	0.2
125.04297	1.7
131.08638	0.3
140.03358	0.2
145.10063	0.2
161.55789	0.2
271.48523	0.2
297.18491	0.5
315.19470	0.6
399.27597	0.2
438.22595	0.6
456.23599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16789	0.1
53.03934	0.3
55.86501	0.1
56.70768	0.1
59.18683	0.1
63.04881	0.1
68.70763	0.1
69.03419	0.4
69.46960	0.3
69.47361	0.4
70.60552	0.1
76.04865	0.1
78.03439	0.6
79.04227	0.1
80.05015	4.0
81.07053	0.2
83.05013	0.1
91.05457	0.3
93.07040	0.3
95.08582	0.3
96.04495	2.8
98.22751	0.3
105.07027	0.3
107.08588	0.3
109.10137	0.3
112.68225	0.1
113.05991	0.3
119.08604	0.5
124.03949	100.0
125.04286	1.9
133.00536	0.1
133.10146	0.5
140.03310	0.1
143.08530	0.2
145.10115	0.4
147.11676	0.2
157.05106	0.1
157.10103	0.3
169.10129	0.2
171.11694	0.2
177.16374	0.5
183.11620	0.2
187.14723	0.2
189.16396	0.3
200.93617	0.1
237.16373	0.2
240.35481	0.1
241.91019	0.1
274.97491	0.2
297.18475	0.4
308.95923	0.1
315.19543	1.0
333.20584	0.2
409.26682	0.1
436.69336	0.1
443.98663	0.1
456.23782	5.2
457.24402	0.4
481.86221	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	456.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.1
52.01880	0.1
53.03942	0.1
55.05497	0.3
57.68748	0.1
67.05497	0.2
68.04997	0.1
69.07074	0.2
69.59904	0.4
70.06594	0.2
78.03448	0.6
79.04211	0.2
79.05471	0.3
80.05013	3.2
81.07053	0.3
84.04485	0.1
84.08154	0.1
85.02883	0.1
87.04456	0.1
91.05469	0.4
93.07021	0.4
95.04907	0.2
95.08589	0.2
96.04487	2.7
98.22681	0.1
100.11255	0.3
105.07021	0.4
106.02909	0.7
107.08615	0.4
109.10163	0.2
111.04440	0.3
117.07002	0.2
119.08563	0.5
121.06503	0.1
121.10146	0.5
124.03942	100.0
125.04298	1.5
125.24309	0.1
129.07039	0.1
130.04947	0.3
131.08592	0.6
133.10153	0.4
135.08017	0.2
138.05455	0.2
140.03365	0.2
143.08580	0.2
145.10101	0.5
147.11653	0.2
149.09651	0.3
149.20554	0.1
155.08577	0.2
157.10129	0.4
159.11691	0.4
165.09120	0.2
167.10600	0.1
169.10121	0.2
171.11661	0.4
173.13184	0.1
183.11652	0.1
184.16939	0.3
195.11542	0.3
197.13251	0.2
199.14822	0.3
207.11690	0.1
210.14893	0.3
212.16429	0.2
237.16417	0.1
241.19576	0.1
251.17953	0.2
255.17307	0.1
269.19073	0.3
279.17471	0.1
297.18491	1.5
315.19647	0.5
420.21472	0.2
438.22821	1.5
439.22763	0.2
456.23587	1.5
456.33969	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	456.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	6.4
67.05482	1.3
69.03062	1.4
69.03426	19.9
69.11043	2.4
69.11468	2.3
71.08626	20.5
73.02889	1.3
85.02904	13.3
87.04464	12.8
97.02888	15.9
97.10131	0.7
98.22710	1.7
99.08087	31.3
109.10131	1.4
113.21387	0.7
115.03926	16.8
120.77297	0.8
127.01579	1.3
127.03899	1.4
127.11185	24.8
128.50661	0.7
133.04958	15.9
140.03275	0.8
145.04935	1.4
145.12227	100.0
146.12558	2.3
150.07608	2.4
153.03128	0.8
215.12747	1.0
347.92242	0.8
350.02985	0.7
362.32895	0.7
483.53958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43580	0.5
53.03956	0.5
55.01870	3.3
55.05505	0.9
57.03432	7.7
59.04985	1.0
61.02924	4.3
67.05491	1.3
69.03429	10.1
70.68142	1.1
71.01358	1.0
71.08630	18.7
73.02914	28.7
81.03409	1.3
81.07035	0.8
83.08607	0.6
85.02905	21.8
85.03417	1.2
87.04460	1.6
91.03933	1.5
97.02264	0.9
97.02887	17.2
99.04458	1.0
99.08091	27.8
103.03921	0.7
109.02888	0.9
109.10131	1.7
110.55048	0.6
115.03932	8.6
127.03898	6.0
127.11194	23.7
133.04965	11.0
133.32898	0.5
145.04948	8.1
145.12227	100.0
146.12558	1.8
150.07613	0.6
163.06035	4.1
193.04993	0.9
223.06039	1.4
241.07074	1.3
259.08154	2.3
295.10147	0.6
438.22992	2.1
456.09903	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51064	0.5
55.01874	1.2
55.05495	0.6
56.45695	0.5
57.03436	32.8
59.04998	0.7
61.02919	1.6
66.54924	0.6
67.05497	0.6
69.03426	5.1
69.57933	0.7
69.58268	2.3
70.06590	2.8
71.01393	0.6
71.04981	0.6
72.08153	2.0
73.02921	10.5
73.38882	0.5
81.03436	1.2
84.04497	1.2
85.02904	13.2
86.09696	0.6
87.04462	0.7
97.02891	9.4
105.07040	0.5
109.02879	1.4
109.10156	2.6
115.03924	2.7
126.09132	0.7
127.03935	2.8
127.11194	100.0
128.11510	1.8
129.10143	0.6
130.05028	2.3
131.04942	2.4
133.04955	3.9
145.04936	3.1
145.12239	30.9
163.06015	1.0
181.04945	1.1
223.05991	0.9
241.07022	0.7
315.13348	1.2
325.07016	2.5
337.06992	1.2
337.10889	0.9
379.08139	1.8
425.13278	1.1
456.21609	0.7
456.27856	1.6
457.10867	0.8
457.16226	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	456.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.4
57.07067	0.5
65.85425	0.4
67.05506	4.5
69.07076	2.5
71.04975	0.7
71.08611	0.5
79.05495	2.3
81.07062	5.2
83.04964	0.4
83.08611	1.6
83.59779	0.4
85.06541	0.9
87.59602	0.4
90.87790	0.4
91.05472	4.5
91.05994	0.6
93.07043	4.6
95.04963	1.9
95.08607	11.2
97.02879	1.3
97.06490	0.6
105.03383	3.4
105.07027	5.9
107.08591	5.3
109.06532	0.8
109.10154	2.8
111.04465	0.8
111.08101	0.4
113.06016	0.6
117.07021	1.6
119.08575	16.4
121.06561	0.4
121.10171	3.5
123.08048	0.4
123.11737	0.7
129.06960	0.7
131.08577	4.0
133.10127	9.1
135.08084	0.5
135.11708	2.2
139.07498	0.5
141.07018	0.6
141.78452	0.4
142.07767	1.0
142.33545	0.4
143.07130	0.4
143.08582	2.4
144.09332	0.4
145.10114	8.6
147.11694	6.3
149.13292	0.5
151.68147	0.4
155.07072	1.2
155.08537	2.4
156.09302	1.2
157.10104	6.1
158.10832	0.6
159.11693	8.1
160.12517	0.5
161.13278	3.0
165.09152	0.5
168.09303	0.7
169.10155	4.0
170.10904	0.7
171.11658	4.3
173.13263	6.7
174.13838	0.5
175.11090	0.6
175.14754	0.6
181.10091	1.0
182.10902	0.5
183.11664	4.9
184.12390	0.5
185.13232	2.9
186.13957	0.9
187.11229	0.5
187.14821	4.5
188.15605	4.3
189.16341	1.0
191.10767	0.4
195.11746	1.3
196.12433	0.4
197.13239	6.4
199.14798	3.5
200.15417	0.6
201.16397	3.6
205.12245	0.8
207.11703	0.4
209.13269	0.4
210.14015	0.5
211.14714	2.0
213.16502	0.7
215.10541	0.4
215.17917	1.1
217.12250	1.2
224.15526	0.6
225.12941	0.4
225.16396	0.9
229.12260	1.3
235.13277	0.7
237.16360	0.8
239.17955	5.8
243.13846	1.7
246.53130	0.4
247.13226	0.5
253.19562	0.9
255.21088	0.4
257.15317	0.8
257.19016	0.4
261.14792	0.9
281.18927	0.7
299.20010	6.9
300.20587	0.5
313.11533	0.4
317.21097	100.0
318.21429	5.1
334.23914	0.5
335.27264	0.5
396.29568	1.2
456.21570	0.7
456.27219	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	456.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15049	1.8
55.05513	8.7
57.03425	3.3
57.07063	2.3
59.65826	1.9
67.05495	22.7
68.05833	2.8
69.07069	7.9
71.43838	2.6
79.05483	11.9
81.07053	26.4
82.07386	4.4
83.08616	4.2
91.05476	16.1
93.07038	18.7
95.04966	3.7
95.08603	26.2
96.08881	2.7
105.03384	4.8
105.07027	31.8
107.08593	12.4
109.06492	2.0
109.10131	18.2
111.04426	5.0
117.06953	2.9
119.08578	22.9
120.96648	16.0
121.06509	3.3
121.10136	12.5
123.11693	18.4
123.45287	2.1
124.03980	4.7
125.00481	2.2
129.07056	3.0
131.08568	13.4
133.10124	100.0
135.08072	2.5
135.11697	6.3
137.13245	2.8
143.08601	3.1
145.10121	10.5
147.07990	2.7
147.11694	10.2
149.13229	2.8
151.11172	4.8
155.08528	3.5
157.10146	5.6
159.11668	14.2
161.13287	8.6
167.10707	3.7
169.10101	2.9
171.11632	6.4
173.09599	2.9
173.13263	6.7
183.11740	6.5
185.13266	4.0
187.11186	5.3
187.14886	3.9
193.12199	2.3
197.13266	7.7
199.14815	3.2
201.12744	2.2
201.16399	7.5
203.10728	2.5
205.12292	3.2
215.10855	3.0
215.18047	3.9
219.13724	2.2
229.12303	4.3
229.19341	2.3
239.14319	3.6
239.17918	5.2
243.13805	3.5
253.19472	8.6
257.15350	3.8
261.18546	7.8
271.20541	3.2
275.20084	12.0
281.19016	5.4
299.20016	64.9
300.20413	4.2
317.17621	4.7
317.21078	41.5
335.18781	3.0
336.26114	18.6
351.85571	2.6
358.24203	6.2
456.22025	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	456.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
57.07070	15.6
58.06583	1.6
60.04509	0.3
67.05505	2.1
68.04996	0.5
69.07061	2.6
69.30587	1.3
70.06583	14.3
71.06900	0.3
71.08620	9.7
72.08126	0.3
73.02913	1.8
79.05449	0.4
79.66765	0.3
81.07048	2.9
83.04939	0.3
83.08612	2.4
85.09772	0.3
85.10175	3.2
87.04456	7.3
88.07623	21.2
93.07014	0.4
95.08119	0.3
95.08610	3.2
97.10145	1.0
98.22648	0.4
102.09170	14.1
106.08632	0.9
109.10146	1.6
121.06490	0.3
123.11700	0.4
156.17479	0.6
159.01677	0.3
174.18481	0.4
192.18182	0.3
200.20073	56.2
201.20421	1.8
218.21140	4.4
227.19989	1.2
228.23109	0.5
239.51500	0.3
255.23132	0.4
256.26288	0.8
283.26279	57.4
284.26581	2.2
399.74527	0.3
456.44064	100.0
457.44431	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	457.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43113	3.5
59.12640	3.8
70.06589	11.7
85.02907	4.7
86.09679	5.7
96.84132	3.3
98.97575	6.8
110.97590	4.1
116.98640	4.2
121.05258	3.8
121.06179	3.7
121.92304	3.2
124.31257	3.3
146.99695	3.3
194.05916	3.7
219.01662	4.9
237.02765	6.6
287.04236	3.8
352.33228	3.3
371.06451	7.1
389.07309	6.1
413.08231	11.3
457.07217	83.7
457.13132	100.0
458.13501	4.3
479.23618	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	457.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90363	2.9
54.42385	2.5
56.96546	4.3
59.62937	2.5
66.24065	3.1
71.29870	3.2
79.43493	2.3
98.97611	10.2
110.97614	4.3
111.05887	2.7
115.48949	2.8
116.98610	4.6
128.98613	4.6
139.25443	3.0
139.91800	3.0
228.90480	2.7
229.00388	2.8
230.01024	5.2
237.02931	8.2
248.01794	2.8
287.04465	5.3
371.06549	5.0
389.07584	8.5
413.08450	10.1
420.30948	3.2
457.07468	100.0
457.13266	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	457.1118
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
53.03945	6.0
55.01871	0.9
55.05533	0.8
57.03434	9.9
57.55357	0.7
58.88748	0.7
59.05010	3.8
62.00388	0.8
63.42328	0.7
69.03066	1.1
69.03420	18.4
70.06259	1.0
70.06583	7.3
71.04990	9.8
71.40062	1.0
72.08135	3.2
73.02911	6.1
81.03415	28.3
84.08128	2.6
85.02907	0.8
86.09697	6.5
87.04460	1.6
90.82563	0.8
95.04911	0.7
96.04391	0.7
97.02907	1.2
98.98462	23.0
99.04447	15.7
116.07083	1.5
117.05486	11.9
126.01054	6.4
127.01389	1.1
128.00772	2.3
129.10222	1.6
140.71831	0.8
140.99480	1.3
145.07581	3.4
146.09723	0.9
147.09140	3.8
157.07590	2.7
159.09181	6.1
164.09341	3.0
169.45070	0.9
170.07117	3.3
171.09251	1.3
172.08681	39.1
173.07054	4.3
174.10204	0.9
175.08659	3.5
183.09114	0.9
184.08693	3.1
185.10822	1.2
186.10194	1.1
190.09753	2.0
191.08118	1.0
197.09430	2.5
197.10928	1.2
198.06622	9.1
198.10258	3.1
199.12314	1.3
200.08144	3.1
209.05907	4.8
209.10823	1.8
210.06198	1.9
210.10170	1.5
211.05576	2.4
214.09782	5.3
216.07661	27.2
216.09763	1.5
218.09248	3.2
219.07672	4.2
224.11795	2.5
226.09656	1.6
227.05772	0.9
228.11249	1.5
238.05589	1.4
239.04863	1.3
243.08751	58.5
244.09090	2.2
252.11372	1.8
254.12828	1.0
285.09772	2.4
297.09866	1.9
316.12851	1.9
323.11356	3.6
334.09464	2.7
334.13702	0.9
341.12399	10.0
342.12625	1.1
349.24188	0.8
351.07404	1.1
359.13452	46.8
360.13718	3.6
377.14490	5.7
396.09485	10.7
397.07886	1.1
398.25616	0.9
414.10498	14.5
415.09189	1.3
421.09079	7.8
425.62030	0.9
439.10126	100.0
440.10382	5.0
457.11108	36.2
457.17194	0.7
458.11554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1318
Annotation	KN-92
Peak:m/z	Relative Intensity
56.96552	0.8
70.06591	3.1
70.61610	0.6
70.97392	0.7
72.08131	0.7
75.33632	0.5
84.08142	0.7
116.07060	0.7
152.23534	0.7
167.29424	0.6
237.03033	0.7
390.73373	0.8
457.07623	5.1
457.13126	100.0
458.13522	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	457.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01858	0.5
55.05499	1.3
57.03427	0.6
65.03941	4.8
67.05506	1.9
68.99804	0.4
69.03420	1.7
69.07061	0.9
70.06580	0.4
71.40605	0.3
79.05489	1.3
81.03424	2.3
81.07053	5.4
82.04187	1.9
83.04988	0.6
85.02908	4.8
91.05463	0.6
93.03396	1.0
95.04964	1.6
97.02894	0.8
97.06532	5.6
99.04456	0.8
99.08083	2.0
104.74984	0.3
105.04501	0.3
105.06938	0.3
107.04993	0.4
108.02090	1.0
109.02882	0.9
110.03654	2.4
111.04504	0.7
112.75928	0.3
115.03945	0.3
115.07567	4.1
117.09136	0.9
121.02794	0.3
121.06546	0.3
123.04443	0.7
125.02355	0.5
125.05982	1.2
127.03909	0.5
130.04997	0.7
138.03107	1.1
140.04669	3.3
142.02594	1.0
149.09612	0.5
151.03920	0.6
153.05467	3.7
155.07030	1.0
163.03874	0.4
166.02696	0.4
171.06511	5.2
181.04950	100.0
182.05312	3.3
194.02122	3.9
199.06030	1.8
205.08635	0.5
209.04443	8.9
209.06339	0.7
209.09138	0.3
223.09656	1.0
268.87766	0.3
276.35526	0.3
325.09256	3.1
341.08450	0.7
343.10147	1.0
405.64810	0.3
405.70309	0.4
439.16318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1985
Annotation	Kopsingine
Peak:m/z	Relative Intensity
52.38696	1.9
54.58305	1.9
55.05474	2.4
56.16816	2.1
64.10313	2.1
67.05492	4.4
69.03413	5.3
69.86790	4.4
69.87154	4.3
71.14498	1.9
78.10725	2.0
78.38081	1.9
81.07037	2.1
83.08621	2.3
86.33941	2.2
88.28497	2.0
93.07018	4.2
95.08614	6.8
102.14834	2.2
104.89976	2.2
105.06997	3.5
107.71523	2.0
119.08556	4.3
121.10139	3.3
124.03933	21.3
125.04253	3.5
133.10207	2.4
145.10124	5.0
160.12086	2.3
187.14833	4.7
188.15092	2.5
228.76651	2.0
337.78476	2.1
337.82599	2.1
370.37430	2.2
435.40649	2.3
457.19785	100.0
458.20120	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.4
55.01876	8.5
55.05510	15.9
57.03428	5.8
57.07061	8.6
59.04993	3.1
61.02926	6.3
65.03951	2.7
67.05499	12.4
68.99789	5.6
69.03432	33.6
69.07052	11.1
69.23015	8.8
70.06582	4.7
71.01349	1.7
71.04993	8.7
72.08159	2.7
73.02909	4.8
77.58025	1.4
79.05482	13.7
81.03414	30.0
81.06568	1.8
81.07053	46.9
83.04976	15.6
83.08621	21.9
85.02903	48.0
85.06540	6.1
86.09718	3.3
87.00827	20.6
91.05480	11.5
93.07042	15.9
95.04964	100.0
95.08594	8.8
97.02896	20.1
97.06525	11.4
97.10229	1.5
99.04456	26.9
99.08100	2.1
100.11251	3.1
103.03954	3.8
103.05524	1.5
105.01881	7.8
105.07024	10.8
107.04955	3.1
107.08591	24.7
109.02875	23.8
109.06517	17.0
109.10150	25.8
111.04440	7.1
111.08073	13.0
113.09633	5.2
115.03947	1.9
117.01820	1.4
117.06999	3.0
119.06035	1.6
119.08566	10.0
121.06486	9.7
121.10140	17.3
123.04414	2.2
123.08050	11.8
123.11704	10.4
125.05993	6.5
125.09624	5.8
127.03021	3.0
127.03918	32.6
127.07523	1.7
127.11210	1.9
129.01859	6.9
129.05493	2.0
131.08580	6.6
133.06468	4.1
133.10138	12.2
135.08063	14.4
135.11700	3.8
137.06001	6.3
137.09593	2.3
137.13208	2.1
139.07539	2.7
139.11189	9.8
145.04979	5.9
145.06462	4.0
145.10133	5.1
147.08035	6.7
147.11684	4.7
149.06000	5.5
149.09604	4.3
149.13249	18.9
151.07529	8.2
151.11163	3.9
153.09113	29.6
155.38989	1.8
157.10100	3.0
159.02872	7.8
159.07941	1.8
159.11676	1.6
161.09613	2.5
161.13214	3.8
163.07512	2.0
163.11209	2.0
163.14864	2.9
165.09128	2.7
165.12756	4.5
167.07085	3.5
167.14307	24.7
171.10214	2.1
173.09572	1.8
173.13263	8.0
175.11229	1.8
175.14793	1.8
177.09209	1.7
177.12798	2.1
181.04820	1.7
181.12254	10.4
189.03923	7.8
189.09102	1.7
189.12729	2.6
191.07053	3.0
191.10602	2.0
191.14314	16.7
195.10217	2.7
201.09074	1.7
203.14380	1.7
207.13808	4.7
209.08096	4.2
209.15349	66.1
210.15594	2.0
213.03937	4.0
215.14211	1.8
231.05002	5.1
233.15327	4.6
271.08051	1.9
275.16385	1.8
299.16437	2.2
305.06323	3.4
317.17511	3.2
319.07834	12.6
335.18555	3.0
337.08868	4.9
363.11920	3.3
395.14554	4.3
401.97656	1.8
403.17181	2.2
407.11353	1.7
421.12555	4.4
421.18317	3.0
439.13541	20.0
439.19537	7.2
457.08853	2.0
457.14969	6.8
457.20377	10.1
457.33301	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87380	0.2
53.03940	1.9
55.01866	1.7
55.05511	1.0
57.03429	1.1
57.07069	0.5
59.04993	0.3
61.02931	1.1
67.05496	1.7
68.99783	0.9
69.03424	10.6
69.07066	1.0
69.75452	0.8
71.04996	1.4
73.02905	1.4
79.05511	1.5
81.03413	10.2
81.07048	2.5
83.04981	2.3
83.08617	0.5
85.02900	13.1
87.00820	5.5
89.05995	0.3
91.03953	0.5
91.05457	1.7
93.07042	1.8
95.04960	2.3
95.08591	2.4
95.57078	0.2
97.02880	5.3
98.94243	0.2
99.04439	2.5
99.07530	0.2
99.08111	0.9
101.02327	0.2
105.01861	3.2
105.07037	2.8
107.04942	0.5
107.08591	5.0
108.52113	0.3
109.02874	6.4
109.06518	3.9
109.10165	2.5
111.08053	0.3
117.01839	1.1
117.07024	0.4
119.08569	1.6
120.88931	0.2
121.06512	0.7
121.10137	10.6
122.07281	2.0
123.08060	3.8
123.11705	2.0
127.03907	8.6
129.01826	0.8
129.07004	0.3
131.08574	0.8
133.07622	0.3
133.10121	2.5
135.08049	1.7
135.11684	0.9
137.09610	14.7
137.13225	0.8
138.09996	0.3
143.08504	0.2
145.04958	3.9
145.10141	0.7
147.02852	0.8
147.11714	1.2
149.09612	5.2
149.13249	5.8
149.14445	0.3
151.11169	19.6
152.11465	0.5
158.10945	0.5
159.02867	3.3
163.14812	0.9
165.12744	32.6
166.13100	0.8
173.13255	1.4
173.74733	0.3
176.12030	0.2
189.03850	0.4
189.64713	0.3
191.14291	6.9
193.15869	2.6
209.15353	100.0
210.15700	3.8
211.77298	0.2
213.03804	0.4
231.04961	1.5
457.23053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28874	1.9
54.15319	1.9
55.05495	3.6
57.07062	2.2
67.05463	4.7
69.03431	14.6
69.07052	2.5
69.30235	7.1
69.30647	3.6
71.04977	1.8
73.02895	2.2
79.05466	3.9
81.03414	12.1
81.07038	5.4
83.04977	4.0
85.02900	16.1
86.09689	2.4
87.00812	7.1
91.05492	4.4
93.07047	3.5
95.04947	4.7
95.08589	4.5
97.02155	1.6
97.02875	4.6
99.04442	3.5
105.01858	3.4
105.07015	4.0
107.04929	2.3
107.08581	11.4
109.02856	6.3
109.06498	6.4
109.10128	4.2
117.01802	2.1
121.10123	14.2
122.07281	3.4
123.08083	3.9
123.11650	2.2
127.03889	12.6
133.10112	40.4
135.08000	3.5
137.09596	36.4
145.04893	2.5
147.11665	3.0
149.09671	4.8
149.13245	8.0
151.11165	44.9
163.13168	2.3
165.12733	32.4
173.13232	5.2
191.14265	23.6
193.15889	4.2
193.19336	2.3
209.15346	100.0
210.15791	3.0
245.90427	2.0
318.55359	2.1
413.17523	5.2
432.37289	2.3
457.16891	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	457.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29099	1.5
55.01870	4.1
55.05509	3.5
55.97064	1.4
67.05501	4.1
69.03425	5.7
69.07070	16.4
70.13095	4.3
79.05489	4.6
81.03413	4.0
81.07040	3.8
83.04985	1.9
84.04500	29.3
85.02909	5.7
87.04483	3.1
91.05477	5.1
93.07036	14.5
95.04988	2.5
95.08589	4.0
95.09180	1.7
97.06537	2.3
98.23444	1.7
99.04457	2.1
101.07137	10.1
105.07042	7.8
107.08597	9.0
108.53219	1.4
109.06486	2.2
111.07961	1.4
119.08594	3.5
121.06500	10.7
121.10140	9.3
123.08038	1.7
127.03949	4.0
130.04999	13.3
131.08566	4.6
133.10172	7.5
135.08049	7.1
135.11685	3.5
145.10121	3.0
147.07655	6.6
147.11679	28.4
149.09573	1.9
149.13223	8.3
152.95561	1.3
153.03136	1.8
158.10855	1.8
159.03174	1.9
161.09602	6.8
163.11211	2.0
173.13226	8.0
175.68842	1.6
191.14291	100.0
192.14647	3.1
209.15317	2.2
275.20023	5.3
297.07581	2.0
298.07828	5.2
298.10934	1.9
341.06918	4.3
359.07953	7.8
377.09036	3.8
415.10501	5.2
433.11545	2.5
457.20215	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.5
65.03942	2.0
67.05499	6.4
68.14655	1.7
69.03419	16.9
69.07057	8.0
70.58595	3.5
71.04974	6.0
73.02922	2.2
79.05475	5.5
81.03410	7.2
81.07055	12.6
83.04977	13.4
83.08624	3.9
83.81400	1.5
85.02908	11.3
87.00816	7.5
87.04446	2.6
91.03904	2.0
91.05466	4.8
93.07053	9.5
95.04975	3.6
95.08593	27.5
97.02876	3.4
97.06519	3.6
99.08082	8.0
105.01811	2.2
105.07001	8.8
107.04936	2.0
107.08585	36.4
109.02898	1.8
109.06500	10.8
109.10137	21.2
111.08083	1.7
119.08559	6.5
121.06506	3.9
121.10128	42.4
123.08059	7.8
123.11678	3.3
125.09628	14.6
127.03911	6.1
131.08553	6.4
133.10127	14.3
135.08032	14.0
135.11696	4.3
137.09613	13.9
139.11177	5.1
145.04861	2.2
145.10204	1.8
147.11676	11.7
148.32303	1.8
149.09587	14.2
149.13239	25.8
151.11165	92.7
153.09084	3.8
158.10904	3.6
163.14793	13.8
164.66902	1.8
165.12721	9.4
167.10701	2.3
173.13225	15.7
191.14291	100.0
192.14525	3.7
209.13326	4.0
209.15344	78.2
210.15703	4.4
213.81310	1.8
437.18784	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
54.93491	0.8
55.01867	1.5
55.05259	1.5
55.05510	22.2
57.03435	13.8
57.07065	3.6
65.03953	1.3
65.67360	0.9
67.05501	39.5
67.05865	2.3
67.51654	0.9
69.07065	26.1
69.51058	4.8
71.04990	1.1
71.08629	2.9
79.05486	14.1
81.07051	41.2
82.73453	1.1
83.04981	1.1
83.08617	12.7
83.33252	1.1
85.10132	0.9
88.98683	1.1
89.06054	1.9
91.05460	8.1
93.07042	14.0
95.04985	1.2
95.08600	31.9
95.09211	1.8
97.06529	2.8
97.10130	5.0
98.23425	1.1
99.08063	1.1
100.17361	1.0
105.07005	5.9
107.08595	5.6
109.06613	1.3
109.10138	11.2
111.11731	1.5
119.08583	4.2
120.96633	68.6
121.06499	1.6
121.10155	4.9
123.11687	4.5
133.10138	4.2
135.11693	2.7
137.13260	1.8
147.11717	2.9
161.13362	1.7
163.14885	1.1
174.98537	1.8
175.14873	1.5
176.89597	1.0
195.00345	6.3
213.00053	2.1
280.22806	1.1
319.92767	1.2
337.27338	100.0
338.27676	4.7
359.25531	24.6
377.26611	2.0
380.20367	1.0
412.21524	1.4
437.73169	1.1
439.22699	1.7
456.31497	1.4
457.23181	50.5
457.31522	2.8
458.23550	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	457.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.05258	2.3
55.05510	24.6
55.91336	1.4
57.03437	12.2
57.07072	8.7
67.05162	2.7
67.05503	45.1
69.07066	29.2
69.97844	4.5
71.08614	5.9
79.05492	12.5
81.07051	45.0
83.08607	9.9
85.06538	2.0
85.10183	1.8
89.06025	8.0
91.05468	11.2
93.07036	14.4
95.08604	31.2
97.06534	2.9
97.10178	5.6
105.07018	7.6
107.08574	8.4
109.10159	10.5
111.08070	1.5
119.08581	6.9
120.96635	70.4
121.06499	7.8
121.10136	6.0
123.11716	5.4
124.03996	2.2
133.08595	5.3
133.10139	4.2
135.11650	3.6
136.09839	1.5
147.11699	2.5
151.07584	1.8
151.14784	1.6
156.97519	2.2
159.11766	1.6
161.13332	2.4
161.99321	2.6
163.14842	1.8
165.09113	3.3
174.98573	2.6
195.00336	6.9
209.11816	3.3
213.00140	2.8
221.36464	1.6
222.00002	1.6
227.12827	1.5
234.93909	1.6
291.23224	2.7
315.17972	9.3
337.27356	100.0
338.27609	7.2
353.46490	1.6
359.25571	26.2
439.22079	5.0
441.32541	2.0
457.23224	58.0
458.23654	3.8
482.97049	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47569	6.3
67.05478	7.1
69.03435	13.3
69.07647	38.1
81.07055	8.7
87.04468	17.5
91.01051	5.6
98.09586	6.1
98.13396	5.8
103.03963	11.6
113.60040	6.6
117.10246	5.8
121.02856	16.8
124.03947	100.0
125.04284	6.5
136.61043	6.7
147.04448	10.4
149.09732	7.6
155.52249	6.0
195.06879	6.2
212.73700	6.0
222.50366	5.8
338.77054	6.6
457.25659	96.1
458.25461	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	457.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16394	5.4
66.48547	5.0
69.03429	7.7
69.06689	10.8
69.07094	31.0
74.84467	5.2
81.59187	5.1
87.04477	20.4
91.05476	8.2
93.07008	6.3
103.03915	5.9
105.07043	5.8
121.02869	20.2
124.03949	100.0
138.05411	5.5
147.04379	9.5
169.88168	6.1
181.83490	5.7
253.58427	6.3
416.39169	5.9
457.25531	76.5
458.25284	44.8
480.17331	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	457.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05510	2.9
56.05032	3.9
67.05501	3.2
69.03419	3.4
69.07076	2.7
70.28416	0.5
71.05002	0.8
73.02909	0.7
79.05505	3.7
81.07056	2.8
83.05031	0.6
83.08600	1.1
84.04501	100.0
85.02902	4.9
85.04810	1.0
87.04453	1.6
91.05471	4.7
93.07037	2.9
95.04945	1.0
95.08596	2.7
97.02853	2.8
97.10161	1.5
101.07137	14.6
102.05531	2.2
105.07030	4.9
107.04934	0.9
107.08577	3.0
109.06514	1.1
109.10136	1.6
115.03954	1.2
117.07007	1.4
119.08582	2.4
121.10143	1.7
124.03941	0.8
127.03972	0.6
130.04996	92.3
131.05331	0.7
131.08545	1.2
133.02795	0.9
133.04964	2.2
133.10120	2.3
137.02267	0.6
145.04997	0.9
145.10094	1.5
147.07635	74.0
147.11667	2.3
148.08037	1.1
149.09697	0.7
159.11649	0.8
162.71519	0.7
163.03903	0.8
165.12717	0.7
173.13199	1.3
191.14331	0.7
197.13248	0.7
199.43526	0.7
205.55728	0.5
209.15424	1.1
212.16518	0.8
257.18851	0.9
275.20044	8.4
282.48544	0.6
292.22604	1.6
293.21286	0.9
341.20468	1.0
404.24170	0.9
421.26773	3.5
422.26111	0.8
439.27774	1.9
484.76572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01874	0.6
55.05508	2.5
56.05030	3.7
57.03434	0.6
59.68610	0.4
67.05504	4.2
69.03432	1.4
69.07073	2.3
71.04992	0.6
75.77528	0.4
79.05505	3.3
81.03417	0.8
81.07056	3.4
83.04974	0.5
83.08613	1.3
84.04501	100.0
85.02895	3.3
85.04813	0.8
87.04474	1.4
91.05464	3.9
93.07046	3.1
95.04966	1.3
95.08611	2.1
97.02901	2.4
97.06505	0.6
97.10177	1.7
101.07139	14.8
101.07813	0.8
102.05527	2.5
105.07037	3.7
106.18800	0.5
107.04975	0.7
107.08572	2.6
109.06523	1.3
109.10125	1.2
115.03918	1.2
117.06969	1.2
119.05013	0.4
119.08575	2.9
121.10132	1.7
123.08124	0.4
124.03970	0.8
125.09600	0.7
127.03929	0.9
129.06628	0.4
130.04999	92.1
131.05309	1.0
131.08597	1.5
133.02843	0.7
133.04996	1.0
133.10185	2.7
133.11028	0.6
135.08087	0.8
135.11684	0.8
145.10101	1.4
147.07637	67.1
147.11679	1.7
148.07964	1.2
149.09595	0.7
159.11720	1.2
163.11220	0.6
165.09024	0.5
171.11659	0.6
173.13239	0.8
191.14276	1.0
209.15392	0.7
241.78764	0.5
257.18985	0.7
267.16983	0.7
275.20084	7.3
292.22729	0.5
293.20987	0.6
341.20657	0.6
404.24100	1.1
421.26944	1.9
439.28091	1.6
466.91229	0.4
470.66785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94050	0.4
65.93521	0.3
67.05495	0.6
69.50595	1.5
74.35087	0.3
81.07074	0.5
94.63581	0.3
95.51237	0.3
98.60712	0.4
105.07037	0.7
107.43520	0.3
111.93011	0.4
115.79078	0.4
121.06446	0.4
128.75174	0.4
145.10110	0.4
169.60852	0.3
183.87869	0.4
223.59895	0.4
272.74551	0.4
355.58923	0.4
371.25388	0.9
397.30737	0.8
457.32858	100.0
458.33237	8.6
458.40070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18253	0.4
67.01831	0.5
68.05002	0.7
68.99777	0.8
69.03399	0.6
69.37110	0.4
69.77670	1.2
76.48889	0.4
78.78267	0.5
82.06567	0.5
84.04488	1.7
87.87876	0.4
89.46724	0.5
91.05446	0.7
92.99754	0.5
98.06052	0.6
99.26319	0.6
100.36584	0.4
103.05440	1.9
110.05984	1.1
117.06995	1.9
121.06480	1.3
126.05458	1.0
131.04944	4.8
137.02379	0.6
138.05434	1.4
162.01788	1.1
164.03419	1.3
165.01770	1.1
166.01305	1.0
166.05000	1.7
177.55417	0.5
178.01346	7.2
179.02089	2.8
180.02902	2.1
190.01344	0.9
191.02095	1.3
192.02867	1.1
193.03665	0.6
194.04474	7.8
196.02466	4.2
196.07327	0.5
197.03160	1.4
204.02864	1.0
206.00816	1.3
206.04472	0.6
208.02443	1.0
209.03168	1.5
217.00069	0.9
220.02295	0.6
222.03987	2.7
224.01935	3.3
232.02408	1.0
234.00319	1.2
235.01036	0.7
238.03468	4.2
240.05029	2.2
250.03450	25.9
251.03694	0.6
252.04968	1.0
253.02061	0.6
266.02914	6.1
266.08069	1.2
267.03738	1.0
269.62839	0.5
276.01334	3.6
280.04501	3.6
282.07626	3.8
283.08356	1.5
294.07541	0.7
296.86407	0.5
298.10757	1.9
308.03989	70.6
309.04303	1.4
310.06961	0.7
326.05011	2.2
336.03467	1.8
338.06354	0.6
342.09610	3.2
354.09579	1.4
370.04523	1.0
370.09183	16.1
371.09445	0.8
381.08432	1.8
384.10767	1.5
398.03494	0.5
398.08667	10.9
412.10242	100.0
413.10556	4.5
426.08011	1.4
440.09506	3.2
458.10852	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	458.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15955	1.2
67.01865	2.1
68.99787	3.4
83.05961	1.2
91.05496	4.3
95.04951	2.5
103.05457	24.9
105.07025	2.5
115.05439	15.8
117.87667	1.4
120.93940	1.3
121.06498	1.8
122.02379	1.3
128.06229	4.8
129.06981	9.6
131.04915	89.7
132.05261	2.3
140.03419	3.6
142.06500	7.0
144.08113	1.5
145.06467	5.3
155.04898	11.0
155.06038	5.4
156.08086	4.9
164.10345	1.2
167.02162	3.5
168.03027	1.7
170.06015	6.4
184.07523	3.3
185.03151	1.8
186.09174	3.0
190.01318	20.3
198.09113	7.6
199.03902	6.7
208.02383	37.8
212.07025	53.8
213.05458	2.3
213.07330	2.1
218.00787	8.4
224.07076	1.6
226.08470	1.4
226.12695	1.5
230.08171	5.2
238.04947	5.4
241.04861	6.7
250.03441	20.4
252.06540	3.8
254.08170	5.5
270.76889	1.2
271.08627	1.3
278.07446	1.3
280.06021	37.6
281.06104	1.7
294.07623	13.3
298.07071	4.0
322.07019	16.9
354.09680	100.0
355.10025	4.1
384.12271	32.6
385.12592	1.8
426.13327	37.3
427.13788	3.0
458.15927	54.8
459.16071	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	458.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41314	0.2
55.01855	0.3
56.34058	0.2
65.03929	1.6
66.49319	0.2
70.06591	0.5
91.05479	15.3
98.23547	0.4
103.05456	1.0
112.33891	0.3
114.51409	0.3
119.04943	37.0
119.43172	0.2
120.05287	0.5
124.03969	0.3
131.04924	3.1
138.01852	0.6
141.06982	0.5
147.04407	100.0
148.04752	2.7
166.01364	0.3
166.04984	0.6
168.02907	0.9
169.06464	0.4
184.06044	0.4
192.01422	0.2
192.02904	8.1
208.06050	8.4
210.04004	0.5
226.07138	0.3
234.03896	0.3
240.55511	0.3
254.07903	0.3
296.09177	12.1
297.09503	0.7
312.12289	18.0
313.12546	0.6
458.15982	44.8
459.16336	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	458.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.8
69.88161	0.6
70.06582	0.6
70.39251	0.2
71.41808	0.2
91.05480	16.9
92.05817	0.3
98.06051	0.3
98.23472	0.2
103.05458	1.2
103.53508	0.2
108.88990	0.2
115.05461	0.3
119.04944	36.8
120.05268	0.9
124.03931	0.5
126.05566	0.2
131.04918	3.0
138.01857	0.7
144.05724	0.3
147.04408	100.0
148.04742	2.1
164.03456	0.4
166.01364	0.6
166.05066	0.5
168.02950	1.0
169.06512	0.4
184.06100	0.3
185.37996	0.2
187.07526	0.3
190.05003	0.3
192.02922	8.2
208.06055	7.6
210.03925	0.5
226.07185	0.2
270.07779	0.2
270.11270	0.2
296.09171	10.4
297.09637	0.3
312.12280	16.6
313.12695	0.9
338.10016	0.3
396.18011	0.2
440.14514	0.3
458.15982	36.0
459.16287	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	458.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92246	0.2
55.01883	0.3
62.44479	0.2
65.03938	1.3
69.90215	0.7
69.90558	0.3
70.06571	0.8
71.01556	0.2
71.99879	0.3
77.03920	0.4
79.05430	0.2
81.02917	0.3
87.24288	0.3
91.05472	15.9
92.05780	0.6
98.22790	0.3
103.05486	1.5
105.03409	0.4
115.05400	0.3
119.04932	38.3
120.05239	0.6
122.02377	0.3
124.03915	1.1
131.04921	5.1
133.02776	0.6
135.36816	0.3
138.01866	1.0
147.04395	100.0
148.04771	2.2
150.01888	0.3
157.29515	0.3
159.08058	0.3
166.01305	0.7
166.05016	0.3
167.02222	0.6
168.02887	1.0
169.06470	0.3
184.06084	0.4
192.02899	7.6
208.06042	7.7
223.02394	1.2
227.03319	0.3
234.03877	0.4
282.07593	0.3
296.09140	11.0
299.01901	0.3
312.12241	14.8
313.12482	0.7
327.01553	0.4
338.09927	0.4
342.09958	0.3
396.38791	0.3
431.07663	0.5
458.15939	41.0
459.16245	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	458.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95779	0.3
65.03930	1.8
68.99813	0.4
70.06572	0.6
75.99479	0.3
77.03886	0.4
78.31014	0.4
91.05476	18.0
95.04977	0.4
97.76181	0.3
100.82137	0.3
103.05458	2.0
119.04939	38.4
120.05287	0.8
124.03986	0.7
125.04171	0.3
131.04932	5.8
136.03903	0.4
138.01859	0.7
140.03453	0.4
141.07034	0.5
147.04402	100.0
148.04733	2.2
164.03432	0.5
166.01343	1.0
166.05034	0.6
168.02945	0.7
190.05099	0.5
191.97485	0.4
192.02936	8.1
193.89612	0.3
196.71893	0.3
208.06021	7.4
210.04030	0.6
218.00896	0.4
221.82141	0.3
223.02368	1.2
225.22975	0.3
257.00681	0.4
270.07614	0.7
296.09146	11.1
297.09573	0.8
306.82346	0.3
312.12268	17.1
313.12466	0.6
327.01337	0.4
336.08713	0.5
338.10233	0.4
360.09021	0.3
412.11429	0.3
458.15967	44.5
459.16376	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	458.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60153	0.5
56.05029	0.6
58.04220	1.0
59.05000	1.0
65.03942	3.7
68.99783	2.0
69.03442	1.1
69.07063	0.6
73.02917	3.4
73.06548	1.7
80.05524	0.9
81.07041	0.7
84.04496	6.3
85.02927	0.7
86.05298	0.7
86.06064	40.9
87.04463	75.3
88.04800	3.5
89.06026	25.5
90.06403	0.8
91.05485	0.5
93.03400	0.6
93.07042	0.6
95.04967	1.3
97.06525	0.5
98.20867	0.5
99.68866	0.4
101.07170	1.0
102.05542	1.9
102.06814	2.0
103.07571	0.6
104.07099	1.3
107.07088	0.7
111.04460	2.4
111.07388	0.6
117.09158	0.5
119.04903	0.5
119.08561	0.5
120.36526	0.4
120.37401	0.5
121.02863	100.0
121.54812	0.6
122.03146	2.4
124.03921	0.8
124.08056	0.5
127.01559	2.0
130.04993	3.0
131.07053	1.8
133.08601	11.8
134.09007	0.6
137.05994	0.7
138.05453	2.2
139.07520	0.7
147.04451	0.7
147.07668	1.5
148.06056	1.6
153.03101	2.3
156.10240	1.3
163.03894	6.0
167.17583	0.5
175.09621	0.7
177.11218	3.9
184.09671	1.9
187.11809	0.5
192.32338	0.4
197.05782	0.6
202.10759	9.6
219.12206	0.5
221.13676	0.8
239.07013	21.8
240.07344	1.6
255.06700	0.6
257.08066	9.3
277.21603	1.0
278.03024	0.9
283.09518	2.4
301.10632	1.3
306.02423	1.4
311.04572	0.5
327.12317	2.5
330.65283	0.4
394.16705	0.6
422.16058	1.6
426.07761	0.5
440.16974	6.4
441.16721	0.6
458.18329	1.0
458.24979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05518	5.7
61.02949	1.0
67.05500	3.0
69.03429	3.9
69.07073	9.2
70.06593	1.3
71.43480	1.3
72.08173	1.2
73.38828	0.8
79.05502	4.2
81.03419	2.1
81.07063	5.6
83.08617	3.3
85.02895	7.1
86.09695	1.6
87.00832	3.3
91.05473	13.0
93.07043	5.3
95.04976	1.4
95.08615	9.5
97.02901	3.4
103.05482	1.4
105.01862	2.8
105.07033	22.4
107.08595	17.2
109.02895	2.8
109.10191	1.6
117.07034	4.9
119.08578	100.0
120.08956	2.7
121.10149	3.9
124.03969	1.9
127.03929	4.8
127.76130	1.0
131.08589	2.1
133.10129	22.5
135.11731	1.9
145.04959	2.3
145.10146	2.6
147.04497	1.0
147.11693	4.1
159.02808	1.3
159.80106	1.2
173.13293	1.3
175.14821	63.5
176.15248	2.1
336.74292	1.0
458.15088	1.2
458.24728	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	458.2535
Annotation	Roquefortine E
Peak:m/z	Relative Intensity
52.22294	0.3
52.33568	0.4
53.03953	0.4
55.05498	1.2
56.95112	0.3
57.07048	0.3
67.05501	1.7
67.88963	0.3
69.07047	0.9
69.17368	2.1
71.04988	0.8
78.03429	1.2
79.05488	1.2
80.05016	4.0
81.03400	0.6
81.07047	1.8
83.04996	0.5
83.08597	1.3
85.06534	4.5
91.05479	1.9
93.07048	2.4
95.04950	0.6
95.08588	1.8
96.04508	2.1
97.06530	0.6
97.10159	0.6
99.08118	0.4
105.07027	2.5
106.02899	1.3
107.04940	0.4
107.08595	3.1
109.06519	0.7
109.10188	1.6
111.08102	0.7
113.09647	0.3
117.06999	1.0
119.08567	4.4
121.06490	1.1
121.10128	2.9
123.11690	0.5
124.03943	100.0
125.04292	2.0
125.09638	0.4
131.08574	1.6
133.10121	2.8
135.08051	0.8
135.11687	1.4
139.07503	0.6
143.08572	0.9
145.10100	2.1
147.08191	0.5
147.11668	3.3
149.09715	0.4
149.13200	0.5
155.08525	0.5
157.10098	1.8
159.08005	0.5
159.11670	3.0
161.13274	3.7
163.14777	0.7
169.10123	0.6
171.11646	1.7
173.09622	0.4
173.13281	3.0
175.11250	0.4
175.14838	0.9
177.12726	1.2
179.14348	0.5
183.11679	1.2
185.13213	0.6
187.11133	0.5
187.14821	1.7
189.12802	0.4
189.16356	1.0
191.14308	0.8
197.13292	0.9
199.14825	1.4
201.12735	0.5
201.16484	0.4
205.15903	1.3
211.14786	0.6
213.16382	1.3
215.14351	1.2
215.17873	0.6
217.15962	0.8
229.19440	0.5
233.15288	0.3
239.17938	1.0
241.16002	0.9
243.20990	0.4
247.16898	0.7
257.19019	1.7
259.16925	1.0
271.20639	1.0
275.20050	0.9
281.19049	1.3
289.21481	0.5
299.19986	2.4
317.21066	2.4
318.21936	0.3
335.22116	2.9
344.43280	0.4
367.22607	0.6
458.25351	80.6
459.25894	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	458.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.3
57.07059	4.2
61.82008	1.4
67.05502	14.2
69.07067	12.0
69.55706	3.7
69.56090	6.0
71.04971	5.0
79.05495	13.2
81.07047	22.9
83.04978	3.1
83.08610	5.9
91.05463	12.9
93.07043	27.2
95.04973	3.4
95.08601	29.3
97.02865	2.1
97.10197	2.2
98.23383	2.7
105.07021	21.5
107.04915	3.5
107.08585	27.3
109.06535	2.7
109.10146	18.1
111.04432	12.9
117.07004	5.5
119.08559	19.5
121.06515	2.9
121.10128	20.2
123.08044	2.2
123.11683	10.8
124.03948	8.7
125.05988	3.0
129.06981	4.7
131.08565	8.8
133.06508	2.3
133.10135	15.2
135.11687	26.5
137.13225	6.9
143.08578	8.4
143.37102	2.1
145.10135	11.8
147.08035	4.5
147.11676	11.1
149.13243	9.3
151.07481	2.9
155.08510	2.3
157.10162	9.7
159.11662	12.8
160.29163	2.2
161.09612	4.0
161.13210	10.0
163.11168	2.1
163.14822	2.2
164.25804	1.7
165.09125	4.9
169.10112	1.7
171.08160	1.7
171.11679	7.2
171.66434	1.7
173.09549	2.6
173.13205	5.8
175.11247	2.9
175.14674	3.0
176.20241	1.9
176.75725	1.8
177.09093	2.2
179.10738	2.5
183.11568	2.1
185.09589	3.6
185.13278	6.5
187.11020	1.9
187.14725	3.2
191.10745	2.9
197.13277	3.6
199.11096	4.6
199.14798	6.0
201.12709	3.9
201.16394	3.7
203.17944	3.4
205.12042	3.1
213.12779	3.7
213.16351	6.4
215.14363	2.0
217.12218	4.1
217.40884	1.8
219.13818	3.1
227.14281	3.1
231.13797	5.5
239.17923	1.9
241.15825	3.5
241.19493	4.5
245.15289	6.6
255.21164	9.1
259.16953	6.8
261.22165	2.4
283.20584	21.1
301.21606	100.0
302.22006	3.9
319.22653	68.7
374.97269	1.8
412.20065	2.1
417.15808	1.6
458.29422	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	458.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	31.0
63.23240	1.6
69.45461	6.7
71.08627	57.0
77.03928	1.7
85.10179	28.6
87.04461	4.9
89.06026	89.9
90.06371	1.5
91.05478	15.1
93.07034	20.3
95.04954	9.0
103.05474	5.0
105.04519	1.8
105.07039	3.6
107.04958	3.4
107.08604	1.9
110.41181	1.5
118.07784	3.5
119.04948	4.9
119.08562	4.1
121.06496	84.6
127.14824	1.7
133.08594	64.9
135.08075	5.6
142.01025	1.4
147.08073	6.6
149.09628	3.8
163.11194	2.5
165.09113	39.2
165.10417	2.7
177.11215	10.9
191.10594	1.9
209.11699	20.9
227.12817	5.6
245.86943	1.5
247.20596	13.2
253.14394	2.1
271.15372	5.8
274.06641	1.5
291.23141	18.7
315.17996	100.0
315.53616	1.6
316.18369	5.5
335.25760	3.4
441.32120	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	459.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11180	0.4
68.01387	3.6
68.99786	4.6
81.07040	0.4
86.02408	2.7
87.95606	0.3
91.05441	0.6
92.99765	3.4
103.05466	3.3
105.06968	0.4
107.04978	0.5
110.02387	1.2
111.00792	1.4
118.06533	6.0
119.04987	0.5
122.02383	0.6
130.06520	15.1
131.04938	8.3
136.00288	0.4
138.01833	1.0
143.04922	0.4
144.04428	2.2
146.05984	1.5
147.04398	0.8
148.04688	0.4
150.01875	0.6
152.03401	0.4
154.01395	0.5
154.06570	0.7
157.06400	0.7
157.07603	6.2
158.05995	7.0
158.07249	0.5
160.00276	0.7
163.03891	0.5
166.01349	1.3
167.02119	1.1
168.02931	1.1
171.04485	0.6
173.05936	0.4
178.01347	100.0
179.01633	1.7
182.06029	1.0
185.03375	0.4
185.07137	3.5
187.03896	9.6
193.07622	0.6
197.05925	0.8
206.00842	39.4
207.01173	1.1
209.07118	0.6
210.05508	1.3
212.07069	0.7
213.06586	1.0
222.05464	0.6
222.07544	1.0
225.05490	0.4
230.84364	0.4
238.04927	0.5
240.06583	0.6
253.06123	3.1
254.04449	0.7
256.06042	15.7
268.06003	0.8
270.07742	0.4
271.07071	1.5
281.05402	0.4
282.03809	0.5
284.05609	2.8
285.06375	1.2
295.07147	5.5
296.05481	8.7
297.05991	0.5
298.98187	1.1
299.06763	0.7
300.05069	1.2
305.05667	0.9
316.99258	1.1
323.06610	35.7
324.04633	3.6
326.13864	3.1
333.05527	0.4
337.06888	0.4
341.07587	2.2
342.06009	0.8
355.08112	0.4
357.00702	0.4
370.10764	0.7
371.10413	0.8
385.11850	0.5
395.10284	1.3
396.08575	0.9
413.11325	3.2
423.09766	2.2
441.10806	23.3
442.11212	2.2
459.11847	76.0
459.68637	0.4
460.12143	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	459.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.5
55.01867	0.7
57.03434	1.7
61.02921	2.5
65.03904	0.6
67.05503	1.0
68.99780	0.8
69.03431	0.8
69.71059	0.5
70.06561	0.3
71.01306	0.1
71.04985	0.2
73.02914	1.2
77.03893	0.5
79.01816	0.2
79.05475	0.3
81.03419	1.0
83.01316	0.3
85.02897	3.6
89.03885	0.3
91.05479	0.9
93.03385	1.3
95.01315	0.2
95.04955	2.3
97.02858	0.4
98.22766	0.3
103.03939	2.3
103.05451	1.7
105.03386	17.8
105.04394	1.1
106.03686	0.3
107.04907	0.7
109.02882	0.9
111.04424	0.2
115.05424	0.5
117.03334	0.3
119.04904	0.6
121.02850	1.0
123.04396	0.6
125.02324	0.2
125.28076	0.1
128.04457	0.1
129.02480	0.2
129.03357	3.4
131.04967	1.1
133.02838	0.5
133.06424	0.3
135.00723	0.2
135.04391	1.0
137.02263	0.2
138.03088	0.1
139.03951	0.2
143.04910	0.3
145.02859	1.0
145.04918	0.1
145.06377	0.2
147.04385	1.3
148.01524	0.2
149.02307	0.6
151.03853	0.5
155.04880	0.1
157.02803	0.2
158.87671	0.2
159.04366	0.4
161.02348	1.9
161.05939	0.3
162.03033	0.3
163.03891	2.3
165.01770	0.3
165.06908	0.2
167.03339	0.4
167.08450	0.2
171.04346	0.5
173.02330	3.3
173.05890	0.2
175.03854	1.0
175.99603	0.3
176.01021	3.3
177.01796	1.2
177.05519	0.2
179.03380	2.4
179.08553	0.2
180.04123	0.2
181.00708	0.2
181.03448	0.2
181.04950	2.3
181.06433	0.2
183.04362	0.3
187.03909	1.4
189.01810	9.8
189.05371	0.5
190.02553	1.7
191.03375	11.9
191.08524	0.6
192.03838	0.4
193.01346	0.2
193.04933	0.2
194.02069	1.6
194.07167	0.3
195.02905	1.1
195.07970	0.4
197.04372	0.4
199.03873	0.4
201.01799	1.8
201.05403	0.7
202.02475	0.2
203.03352	1.6
204.04018	0.3
205.04993	1.1
207.02870	5.5
208.03453	0.5
209.04350	1.2
209.05853	0.1
211.03844	0.4
213.05351	0.4
215.03342	1.4
217.04860	0.5
218.07245	0.3
219.02873	4.8
219.08063	0.3
220.03322	0.2
221.04314	0.4
221.06123	0.3
222.06697	0.5
223.07532	0.7
225.05643	0.2
227.03310	0.4
227.06935	0.2
229.04837	0.8
231.02872	0.6
233.04372	1.0
235.07567	1.0
236.08208	0.4
237.09059	0.7
238.06224	0.4
239.03333	0.3
239.06940	0.5
240.07780	0.3
245.04358	0.3
247.07710	1.3
249.05643	0.3
250.06281	0.8
251.07040	2.8
252.07793	2.7
253.05110	0.2
253.08580	0.7
254.05931	0.2
254.09190	0.2
255.06412	0.2
257.04410	0.5
259.05917	0.2
261.09027	0.3
262.06210	0.2
263.07056	4.2
264.07751	3.7
265.08560	11.1
266.09015	0.6
267.06488	2.5
268.07260	1.7
269.07794	0.2
274.06207	0.3
275.07001	3.6
275.09958	0.1
276.07672	0.8
277.05429	0.3
277.08615	1.5
278.05713	44.4
279.06436	13.3
279.09549	0.3
280.07190	3.1
281.08035	6.6
282.08655	1.3
285.03897	0.6
287.06717	0.2
288.07748	0.4
289.08542	1.1
290.09360	0.2
291.06482	52.4
292.07181	15.5
293.08029	15.7
293.11426	0.3
294.08447	0.9
296.06934	0.2
297.07535	4.1
298.07843	0.2
301.08563	0.6
302.09317	0.3
303.06516	14.6
304.07141	3.0
305.04532	0.4
305.08008	5.5
306.05441	0.2
306.08759	2.5
307.05930	0.5
307.09677	0.8
309.07535	32.4
310.07907	1.7
313.08502	0.4
314.09033	0.2
315.06543	0.3
315.10480	0.2
316.07190	0.5
317.08044	2.8
318.08765	0.7
319.05978	0.5
319.09665	0.5
320.06750	3.1
321.07529	100.0
322.04074	0.3
322.07870	6.1
323.05545	0.3
323.09161	1.1
329.08069	0.9
330.08743	0.3
331.05942	0.3
331.09604	1.7
332.06680	0.6
333.07532	3.4
333.11523	0.2
334.08319	1.0
335.05508	0.4
335.09061	7.3
336.09442	0.6
337.06946	1.0
339.08597	50.6
340.08978	3.1
341.08078	0.3
344.06589	0.3
345.07574	3.0
346.08127	0.4
347.08997	1.1
349.06955	0.7
349.10709	2.1
351.08588	6.0
352.08984	0.5
357.07462	1.0
358.08255	0.3
359.09134	2.4
360.09433	0.2
361.07245	0.3
363.08588	25.0
364.08969	1.8
369.09927	0.2
375.08591	14.7
376.08984	1.1
377.10300	1.0
381.09500	0.3
385.10770	0.7
387.08591	5.5
388.08972	0.4
393.09671	3.8
394.10052	0.3
405.09644	14.3
406.09976	1.2
423.10699	14.6
424.11081	0.9
441.11783	19.3
442.12119	1.5
459.12677	4.2
460.12833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83899	1.3
55.01872	2.7
55.05510	10.6
56.96556	1.7
57.03426	2.0
59.04988	2.0
67.05499	12.5
69.03421	3.5
69.07041	3.8
71.04978	2.1
73.02909	15.4
79.05490	14.5
81.03416	13.2
81.07053	7.2
83.04955	3.2
83.08620	5.5
84.04481	2.4
84.96037	1.8
85.02892	1.8
86.09721	2.1
87.04465	28.7
88.04810	1.7
89.06023	18.7
90.06377	1.6
91.05475	12.9
93.07045	9.0
95.04974	6.3
95.08609	5.0
97.02884	1.8
97.06571	1.5
97.10178	6.9
98.97590	5.3
103.03944	8.6
105.07045	7.0
107.04945	8.1
107.08573	6.7
109.06544	2.8
109.10159	5.6
111.08104	2.5
115.05376	1.7
116.98625	2.8
117.05489	2.8
117.06999	3.2
119.04919	1.4
119.08569	5.8
121.02885	2.5
121.06502	4.8
121.10116	2.9
123.28643	1.5
125.09618	5.6
128.98625	3.2
129.07013	4.6
130.04933	1.6
131.04962	1.4
131.08559	4.2
133.06509	2.8
133.08557	6.3
133.10124	3.1
135.11739	2.2
138.05504	7.7
141.06992	1.9
143.08595	3.4
144.43149	1.5
145.06422	8.4
145.10144	1.6
147.07828	2.2
147.11682	3.6
151.07530	4.4
153.09154	1.7
155.08578	2.2
157.06540	2.1
157.10147	4.0
159.08063	2.1
159.11679	1.5
165.09180	3.9
169.10112	1.7
171.08076	2.2
171.11668	1.8
175.11200	2.1
177.00671	1.5
177.11214	3.3
189.11215	2.6
193.12288	9.3
195.07990	1.7
213.12732	1.9
219.01811	2.4
233.15317	1.4
237.02858	4.5
255.11522	1.5
273.14908	5.5
339.23303	2.1
349.21747	5.3
367.22684	14.1
373.15424	5.1
385.23917	13.3
391.16251	8.5
403.24734	4.4
405.24603	1.5
415.17365	11.0
441.26364	2.3
459.16342	100.0
459.26993	31.5
460.16592	3.1
460.27310	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	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
53.80897	1.5
55.05512	8.7
59.04993	2.0
67.05500	13.9
69.03426	12.3
69.07072	11.8
69.07884	12.5
71.04980	4.6
79.05474	3.6
81.03400	3.7
81.07057	17.9
83.04984	8.4
83.08614	4.5
85.02907	12.7
85.06536	2.3
87.00816	5.6
91.05467	2.5
93.07034	8.0
95.08599	29.7
97.02882	3.1
97.10181	1.9
99.04470	2.3
99.08057	2.2
105.01854	4.2
105.07022	6.9
107.08590	22.6
109.02875	4.7
109.06498	8.9
109.10149	89.5
110.10464	3.4
111.08082	2.4
117.69709	1.7
119.08566	34.1
121.10148	15.2
123.08054	13.9
123.11681	7.4
127.03909	7.4
133.10132	17.6
135.11682	100.0
136.12035	2.4
137.09612	12.1
145.04961	1.5
147.11598	1.8
149.13245	4.6
151.11200	9.4
151.14803	9.5
165.16319	3.1
175.14806	47.0
176.15062	2.7
193.15871	65.4
198.81210	1.9
211.16899	59.2
212.17337	2.9
223.14345	1.7
231.05125	1.7
309.13943	1.6
437.14658	3.3
459.22299	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65193	2.3
53.03943	3.4
55.05489	5.8
57.07076	3.0
63.56499	2.7
67.05504	17.9
69.03429	10.2
69.07063	11.5
71.04977	4.1
71.43153	2.5
74.71590	2.5
79.05494	4.2
81.03416	5.7
81.07063	15.8
83.04967	7.2
83.08593	4.1
85.02906	7.8
85.06539	3.9
87.00845	6.0
91.05504	2.9
93.07039	7.0
94.01924	2.1
95.08604	28.1
97.02908	3.7
97.10194	2.9
99.08086	2.7
105.07060	6.6
107.08577	22.5
109.02803	3.4
109.06506	7.6
109.10152	93.6
111.08046	3.9
119.08581	44.1
121.06454	2.5
121.10152	12.6
123.08064	10.3
123.11688	7.2
127.03903	5.3
133.10126	23.1
135.11684	100.0
136.12053	3.0
137.09607	15.9
145.04962	3.2
146.41035	2.6
149.13266	6.5
151.11143	7.3
151.14827	9.6
153.12755	2.8
165.12820	2.8
165.16249	2.8
175.14818	47.8
193.15881	71.2
211.16928	55.0
225.07838	2.8
230.43997	2.3
281.76056	2.6
414.35315	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	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05500	5.5
57.07105	2.2
58.01684	1.8
59.04989	2.3
67.05495	17.2
69.03421	10.3
69.07065	12.7
69.91254	5.9
71.04994	3.4
71.22813	1.8
79.05495	2.1
81.03426	3.9
81.07054	13.2
83.04981	8.9
83.08603	5.5
85.02898	12.0
85.06532	1.9
87.00806	4.7
91.05486	2.1
93.07054	9.7
95.04939	1.6
95.08597	29.1
97.02917	2.8
97.10120	1.7
99.08070	3.3
105.01885	3.6
105.07043	5.4
107.08595	19.2
109.02895	3.0
109.06525	6.1
109.10149	85.7
111.08018	2.3
114.21675	2.0
119.08575	40.2
121.02322	2.0
121.10126	12.2
123.08034	10.4
123.11687	9.8
127.03919	7.4
129.01752	1.9
133.10115	20.4
135.11684	100.0
136.12007	3.2
137.09636	14.4
145.04982	3.3
147.11758	2.2
149.13264	8.2
151.11183	7.4
151.14743	9.9
153.12808	2.5
165.16379	2.1
175.14816	43.8
193.15858	61.8
211.16917	52.4
212.17268	2.7
393.18427	1.8
396.45923	2.0
437.14740	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	459.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76757	3.4
55.05506	4.1
57.07054	3.5
67.05497	9.7
69.07074	4.3
71.04996	6.6
71.43587	3.7
79.05492	11.3
81.03412	5.4
81.07047	14.6
83.04993	3.9
91.05465	13.8
93.07042	14.4
95.08582	9.2
97.06516	4.3
105.07010	12.2
105.34477	3.7
106.02905	3.6
107.04916	6.3
107.08594	6.5
109.06525	4.8
109.10185	4.6
117.06984	4.9
119.08568	17.3
121.06471	5.5
124.03967	6.4
127.01561	14.4
129.07004	6.9
131.08583	5.7
133.10118	10.7
133.80119	4.0
135.08080	5.9
139.62283	3.6
142.07767	4.4
143.08527	5.6
145.10127	9.3
147.07977	4.6
147.11661	7.9
149.09599	3.9
153.05464	9.8
154.92621	3.5
156.16251	3.4
157.10109	12.8
159.11665	10.2
161.09593	13.2
163.65335	3.4
169.10016	4.1
171.11644	11.0
173.09625	6.5
173.13356	9.4
175.11188	27.2
176.11942	8.6
177.12758	15.5
181.10167	4.6
183.11606	5.1
185.13326	4.4
187.14786	5.8
188.15546	6.7
189.12701	4.5
195.11862	4.0
198.14047	3.6
199.11090	4.5
201.12723	6.0
203.14323	10.0
216.15019	9.0
217.15753	8.0
223.09479	6.6
265.15952	4.6
273.14722	6.6
283.16968	10.2
301.17828	9.4
311.16336	10.4
329.17471	100.0
330.17575	5.8
361.10550	5.4
389.19550	24.8
413.12964	5.6
420.54813	3.4
441.34637	5.0
459.25122	6.0
459.35468	18.4
460.20840	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05510	2.5
56.05032	3.9
67.05506	3.9
69.03417	1.0
69.07076	3.1
69.27171	2.9
71.08620	1.1
72.39622	0.4
73.02889	0.6
73.06555	0.7
79.05484	3.0
80.89262	0.5
81.03430	1.2
81.07049	3.9
81.19307	0.4
83.04987	0.9
83.06120	0.6
83.08622	1.7
84.04500	100.0
85.02898	3.1
85.04844	1.5
86.09694	0.6
87.00850	0.6
87.04443	0.5
89.06027	0.9
91.05460	2.7
93.07040	4.7
95.04984	1.3
95.08599	2.8
97.06561	0.8
97.10161	1.4
99.04476	0.6
99.08136	0.9
100.11244	0.7
101.07135	17.2
102.05524	3.0
105.01887	0.7
105.07035	2.1
107.04936	0.8
107.08594	1.8
109.02886	0.9
109.10134	1.1
111.08057	0.6
117.07043	0.8
119.08580	1.5
121.10155	1.3
123.11714	0.7
125.09633	0.9
127.03945	1.7
129.06714	0.7
130.04997	92.1
131.05293	1.0
133.08586	0.5
133.10135	1.1
135.11650	1.1
137.05923	0.5
137.06927	0.5
137.09634	0.8
139.11137	0.7
145.04959	0.7
147.07637	77.5
147.11580	1.1
148.07961	0.9
149.13234	0.7
151.11174	0.8
161.13280	1.3
163.07607	0.9
165.12750	0.6
167.07005	0.7
189.11194	1.3
195.10193	2.8
207.13869	0.5
212.45529	0.5
213.81541	0.4
241.19498	0.5
269.18582	1.4
277.21622	9.5
278.22134	0.6
290.44086	0.5
294.24399	0.6
295.22690	2.1
339.12231	0.6
341.20773	1.0
355.11859	0.7
367.11441	1.2
368.12244	0.5
406.26007	2.2
423.28409	3.5
424.27063	0.6
441.29465	1.8
459.16318	0.6
459.22250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31215	1.0
55.01864	1.9
67.01865	1.6
68.05038	1.3
68.99809	4.7
70.06593	2.1
89.23789	0.9
91.05494	1.7
92.01363	2.0
92.99792	1.4
94.02906	1.6
95.01366	2.5
95.04972	1.8
100.80382	1.2
103.05469	16.9
104.05818	3.9
105.03419	2.4
107.04935	1.3
111.00804	1.8
111.03236	1.8
116.33943	1.0
118.02939	2.5
120.00838	3.2
121.42825	1.3
122.02361	5.2
127.91045	1.2
131.04926	52.7
132.05267	12.3
134.02354	11.0
136.03943	2.0
138.01845	5.3
139.02586	1.4
140.03423	5.4
146.02376	3.6
148.00304	4.0
150.01845	2.5
152.03436	5.1
158.02353	1.6
160.00322	1.2
162.00522	1.5
162.01860	25.0
164.03404	4.5
166.01360	3.6
167.02129	19.0
168.02899	9.9
173.06030	1.5
174.01860	1.5
176.03439	6.2
177.04196	1.3
178.01357	12.5
178.05003	1.2
180.02919	6.5
181.01277	1.7
182.04478	2.8
183.09924	1.2
185.00816	1.9
185.03163	7.7
186.01811	3.7
188.03358	1.8
190.01335	13.3
191.01970	1.3
192.02905	22.4
192.04491	1.9
196.02438	2.1
202.01331	6.3
203.02075	2.0
204.02925	14.9
205.01326	1.7
205.03568	1.8
206.00839	1.7
206.04419	1.3
208.02328	8.5
210.04071	1.5
214.01392	10.5
216.02843	1.3
218.00818	7.4
220.02383	12.4
221.03125	1.7
222.00357	2.1
222.03966	2.8
225.05632	2.3
230.00897	6.1
231.01678	2.7
231.98866	1.7
232.02414	18.6
233.03168	2.0
234.00320	12.5
234.04080	2.0
236.01863	4.1
240.01442	1.6
242.00879	7.3
246.00351	11.4
246.03984	2.9
247.00868	1.6
248.01915	8.7
249.99823	3.6
250.03514	3.6
252.01370	2.0
258.00366	8.2
258.03726	1.6
260.01898	17.5
262.03558	6.0
264.01447	1.7
264.05103	5.2
268.00861	22.7
270.00418	5.9
270.05225	82.1
271.08377	9.8
272.09103	5.4
274.03491	3.8
276.01379	22.8
277.02075	2.1
278.02942	4.0
278.08206	2.0
280.04602	1.7
282.07538	2.3
285.07562	100.0
288.01462	8.8
290.02945	14.3
290.08038	1.5
292.04581	4.3
294.07483	6.4
296.09195	5.0
302.02942	18.3
306.02441	8.1
306.07544	4.2
308.04172	1.8
318.07425	1.3
320.04001	31.3
321.04437	1.5
322.07187	1.2
324.08649	2.7
326.06476	1.6
334.07193	1.3
335.07761	2.4
336.05005	1.8
336.08646	4.7
338.07208	1.4
340.08154	2.1
341.12503	3.3
350.06583	3.2
352.08212	2.5
354.06104	11.4
355.06522	1.7
362.06390	2.8
364.08066	6.9
366.09689	4.7
368.07608	1.7
374.06689	1.4
380.07858	1.7
382.09244	11.5
392.07550	2.5
394.09204	51.3
395.09399	2.9
396.10736	6.0
406.09122	15.4
412.10239	25.4
413.10709	1.9
424.10236	59.3
425.10641	3.9
442.11127	7.9
460.12369	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	460.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63566	0.4
68.99782	2.5
69.80390	1.7
77.03934	0.6
79.05499	1.3
81.51579	0.4
91.05486	0.9
94.06547	0.8
95.04948	0.8
96.04493	1.5
98.06052	6.3
103.05461	19.4
107.04994	0.6
107.46701	0.5
108.93096	0.4
110.06045	2.2
122.02387	1.0
122.06025	1.8
124.03944	76.4
125.04319	0.6
129.07042	0.5
131.04918	94.8
132.05247	2.5
134.06001	0.6
136.03960	0.6
138.05470	2.8
140.03389	0.5
142.04991	2.0
155.04900	0.7
164.03471	0.7
166.04976	9.5
168.02907	2.4
173.06003	0.9
174.19016	0.5
176.92938	0.5
183.32835	0.5
186.09149	0.9
189.09145	2.2
190.04971	0.9
192.02898	40.7
192.92397	0.5
193.03278	1.0
199.03853	5.5
208.06000	2.5
210.03969	6.0
213.05484	1.7
219.13733	0.5
234.03960	39.0
235.04362	1.2
241.04950	9.5
252.04941	2.5
254.08083	1.4
259.06073	0.7
270.05145	4.3
272.09195	4.1
278.08102	1.4
285.07574	6.7
296.09149	51.2
297.09329	2.6
312.12262	1.8
320.09109	1.4
338.10187	100.0
339.10519	6.1
370.34198	0.6
406.51370	0.5
442.16562	1.1
489.91791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01870	9.1
55.05501	0.5
57.03436	5.5
60.04530	1.6
61.02921	5.7
63.40116	0.3
63.40448	0.3
65.03958	0.5
67.01865	0.3
67.58839	0.3
68.99789	2.5
69.03428	28.7
69.29046	1.3
71.01352	0.6
71.04995	3.6
73.02536	0.6
73.02915	7.8
79.05492	0.6
80.05027	0.9
81.03415	28.9
82.03768	0.4
83.01353	0.7
84.04492	0.4
85.02903	74.6
86.03222	0.6
87.00828	32.4
87.04463	0.8
91.03957	2.5
91.05464	0.7
93.03413	0.7
95.04985	0.7
97.02890	27.8
98.03280	0.4
98.06072	1.4
99.04454	13.6
101.02381	0.6
103.05470	5.6
105.01865	29.4
105.07031	2.1
107.04954	7.6
108.04473	10.2
109.02876	30.5
110.03271	0.6
111.04465	0.7
115.03933	1.3
115.05448	1.1
117.01843	3.4
117.06992	0.3
120.05741	0.9
121.06532	0.5
126.05515	5.0
127.03911	55.8
128.04245	0.6
129.01831	4.1
131.04936	1.2
133.06505	0.7
135.08044	6.7
139.03920	3.8
141.01884	0.4
144.06519	0.6
145.04955	28.0
146.05382	0.4
147.02892	2.4
147.03859	0.3
148.05185	0.4
154.06241	30.6
155.06580	0.7
159.02879	19.2
161.06052	0.4
163.07541	26.4
164.08022	0.4
164.34859	0.3
167.07045	1.4
173.05997	0.3
177.04015	1.0
180.07811	1.3
189.03935	0.9
193.08556	0.6
195.10156	100.0
196.10524	3.1
205.08582	0.5
207.10196	1.1
212.05527	1.0
213.03955	2.3
219.10109	0.9
221.08101	0.7
225.08948	0.4
230.06609	3.2
231.04976	11.6
232.05440	0.6
248.07620	5.8
249.06032	1.3
261.11267	0.5
266.08667	1.7
285.11133	0.8
303.12216	1.0
461.17361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73836	0.8
52.26708	0.7
53.03711	1.0
53.03942	8.3
55.01866	9.3
55.05511	1.2
57.03429	7.1
58.04211	1.7
60.04516	1.7
61.02925	6.6
67.05510	1.3
68.99783	3.8
69.03423	32.4
69.15129	1.6
69.15536	3.6
70.73198	0.8
71.05001	4.6
73.02908	9.9
74.02832	0.9
79.05103	0.8
79.05484	4.8
80.05027	1.0
80.05474	0.9
80.28893	0.8
81.03410	29.4
81.07051	1.9
83.01327	1.3
83.04975	1.2
84.04510	1.7
84.08133	2.0
85.02896	76.5
86.09714	1.9
87.00821	29.4
87.04457	1.7
89.06023	7.2
90.06378	1.1
91.03937	3.0
91.05494	3.2
93.07055	1.0
95.04974	2.2
97.02883	30.4
97.06508	1.4
98.06088	1.0
98.15238	0.8
99.04446	13.7
103.05476	3.1
105.01859	27.1
105.03406	1.3
105.07018	4.5
107.04943	34.1
107.08583	1.3
108.04481	9.0
109.02868	29.8
110.03211	0.9
115.03931	1.2
115.05437	2.1
117.01853	4.7
117.07031	1.7
119.04948	1.2
121.02883	2.0
121.06503	1.6
124.03941	1.8
125.06012	0.8
126.05525	3.2
127.03906	53.3
129.01836	3.5
132.90784	0.9
133.06482	1.2
133.08591	4.8
135.08047	12.4
137.02356	3.7
138.05487	8.9
141.34528	0.8
145.04939	22.2
147.02896	3.3
147.04413	1.0
148.70868	0.9
153.03133	0.9
153.06752	0.9
154.06221	1.8
159.02870	19.6
159.07979	1.3
163.07530	38.5
164.07974	1.1
167.07027	13.4
167.08342	1.4
168.07423	1.1
175.07512	1.2
177.08995	0.9
177.11208	1.8
180.07814	2.6
181.05000	1.2
187.07545	2.9
189.03923	2.4
195.10143	100.0
196.10542	3.8
205.08755	1.0
207.06506	1.4
207.10205	2.7
213.03958	2.7
219.10156	1.4
230.06551	3.5
231.04926	9.6
237.11172	1.3
247.09546	1.1
248.07668	3.9
249.11375	1.2
266.08789	1.6
285.11142	2.3
295.09705	2.6
303.12286	2.0
309.07501	1.8
323.09207	3.1
341.09961	0.9
343.91873	0.9
351.08588	1.0
352.05838	1.1
357.09775	1.5
367.08069	8.3
401.12140	1.7
410.59387	0.9
411.10699	11.1
429.11459	2.6
461.13504	1.4
461.20193	1.2
461.28815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29442	0.7
60.04499	1.2
61.02920	0.9
67.05492	1.5
69.03421	3.4
70.06587	1.6
70.77652	1.1
72.08145	5.4
79.05513	0.8
79.53642	0.6
81.03394	0.9
81.07028	1.1
84.04504	1.5
84.08133	1.9
85.02892	5.3
86.09689	9.9
90.95126	0.7
91.05476	0.9
95.08598	3.6
97.02884	2.4
97.06535	2.4
99.04433	0.7
103.03941	1.9
105.06977	1.1
108.38837	0.8
119.08605	0.8
121.02862	1.4
121.06504	1.8
123.08062	61.2
124.08415	1.0
124.35778	0.7
127.03909	1.1
129.10229	2.1
133.10143	0.8
136.03882	0.9
139.07489	0.7
141.81012	0.8
142.07655	0.8
145.04903	1.0
159.08041	1.6
159.11740	1.0
161.09277	1.1
165.09108	100.0
166.09477	2.7
167.07002	0.9
168.79836	0.7
171.07780	0.8
173.12871	1.8
177.05437	1.9
185.09642	0.9
199.11089	1.8
201.12393	1.4
205.08701	1.5
213.07295	2.5
217.12151	1.1
228.13136	0.9
233.11917	1.9
263.12799	19.6
420.92261	0.9
460.09225	1.7
460.18430	1.1
461.19925	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	460.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
67.05505	4.8
69.07072	1.7
71.29675	0.6
71.41866	0.9
78.03449	2.3
79.05488	3.8
80.05005	3.8
80.52616	0.6
81.03391	0.8
81.07046	9.1
83.04977	5.1
83.08614	1.8
91.05476	5.8
93.07047	4.7
95.04958	1.8
95.08609	4.5
96.04496	3.1
97.06538	1.7
99.08089	1.4
104.66012	0.7
105.07021	5.9
106.02920	6.7
107.04991	1.0
107.08629	3.8
109.10148	2.7
117.07000	1.9
119.08588	3.9
121.10155	2.0
123.08027	1.0
123.11728	2.8
124.03950	100.0
125.04288	1.3
129.07018	2.0
131.08559	2.9
133.10141	3.2
135.08052	0.8
143.08546	2.8
145.10092	4.6
146.89912	0.7
147.08047	1.8
147.11684	2.1
149.09592	1.4
149.13187	0.9
155.08575	1.0
156.09331	1.1
157.10129	3.5
159.11710	2.5
161.09666	1.0
161.13283	1.4
163.05228	0.9
163.11212	1.0
165.09152	1.2
169.10135	2.4
170.10954	0.8
171.11708	3.0
173.13252	1.8
175.11177	1.1
181.10176	1.9
183.11705	1.8
185.13281	2.7
187.14839	1.2
195.11693	1.5
197.13251	3.0
199.14821	1.7
203.14291	1.1
209.13284	1.8
211.14835	0.9
213.16469	2.4
223.14793	1.4
227.17953	1.1
231.17487	0.9
239.17822	1.2
241.16000	1.2
255.21133	0.9
265.19504	1.8
270.05273	1.2
271.20544	1.0
273.22272	0.8
283.20575	6.3
285.07611	1.1
301.21637	4.1
334.20630	1.6
368.23038	0.9
386.24094	0.8
424.24863	2.8
442.25812	2.7
460.09802	2.5
460.27014	9.5
461.10272	0.8
461.21213	1.2
461.27972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.8
55.55779	2.0
55.98538	2.0
57.07074	34.3
64.79706	2.5
69.07057	3.7
69.22190	3.6
69.22591	9.3
71.08624	28.1
73.06569	3.2
85.10178	16.3
89.06023	98.2
96.91378	1.8
100.69681	1.8
107.07062	4.3
129.00621	1.8
133.08586	28.8
134.97754	1.8
149.65552	2.0
151.09688	3.4
164.19353	2.0
177.11198	12.3
195.12250	34.9
243.66833	2.1
257.24777	4.3
363.31009	100.0
364.31308	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	460.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	35.6
69.07069	2.8
71.08625	26.7
73.06534	2.2
74.66426	1.5
85.10182	14.3
89.06026	87.0
97.10168	3.1
98.22609	2.6
99.11765	2.5
107.07053	5.3
111.11704	1.8
130.08571	1.8
133.08595	24.9
151.09634	3.1
177.11214	10.8
178.11473	1.7
179.14577	1.7
180.97214	1.8
183.66692	1.8
194.90561	1.6
195.12276	35.4
213.22148	2.0
222.63487	1.7
244.88420	1.5
257.24670	5.1
363.31012	100.0
364.31348	6.7
388.40692	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	460.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	100.0
60.05333	0.9
65.96177	0.4
69.03443	0.4
70.17397	0.8
70.17730	0.5
73.06554	1.4
81.03397	0.7
85.02919	0.4
86.09680	0.4
87.04477	1.1
89.06032	5.2
93.07006	0.4
103.07577	75.1
103.80666	0.4
104.07923	1.3
105.00406	0.4
106.57696	0.4
107.04945	0.5
117.09119	1.1
121.02846	0.5
125.13425	0.4
131.04907	2.3
133.06409	0.5
133.08617	2.5
139.28465	0.4
147.10152	26.6
148.10435	0.5
157.70914	0.5
161.11755	0.8
177.11221	0.9
191.12761	1.1
193.04971	0.8
227.87875	0.4
240.63272	0.5
425.04004	0.5
443.28186	1.0
460.31058	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	461.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34188	1.0
54.45098	0.8
55.01863	3.3
55.05508	1.1
61.02909	2.6
65.03919	1.1
68.99802	1.5
69.03414	1.9
69.06709	1.7
69.07104	5.0
70.06599	3.8
71.06879	1.0
72.08149	2.9
73.02913	26.4
74.03252	0.8
79.05479	1.1
81.03408	2.2
81.07037	1.1
83.01321	0.9
84.04485	1.3
84.08123	2.8
85.02893	3.8
86.06073	0.9
86.09705	8.2
87.04455	2.0
87.10010	1.3
89.06026	15.9
91.05510	2.7
92.99745	1.4
95.04950	0.9
97.02891	1.3
104.07117	2.3
105.06981	1.2
107.08597	1.1
109.02872	2.4
110.07133	1.7
117.05538	1.1
119.04173	1.0
119.04949	8.5
119.08573	0.8
121.02855	21.1
121.10176	0.8
123.00784	1.5
127.03970	0.9
129.10202	1.4
130.06586	1.0
133.08580	10.7
134.08842	1.4
135.11665	0.9
137.02254	1.1
138.05522	0.9
141.01765	1.6
145.02905	1.3
147.04422	4.3
149.11679	0.8
151.00293	0.9
151.03889	2.7
151.05031	0.8
155.04875	1.5
163.00298	1.0
163.03976	1.9
166.99678	1.1
168.00528	3.4
169.01280	5.5
169.07603	2.5
173.12814	0.9
177.11212	3.5
181.01283	5.1
185.07138	1.0
186.01578	2.7
194.99274	5.0
197.00781	2.6
199.02388	2.8
205.10724	0.8
206.99268	2.0
209.00769	3.6
213.00269	14.1
213.06598	3.5
221.00803	1.1
231.07681	3.8
237.00282	4.1
239.03485	0.9
241.04942	2.4
250.98325	1.0
257.04431	3.1
261.14499	1.2
267.02856	1.5
268.03696	1.2
269.04431	16.4
270.05093	1.4
279.01370	0.9
285.03885	7.0
286.04651	12.5
287.05438	22.0
295.05927	1.2
297.03915	7.8
298.04733	1.1
299.05518	17.2
301.03452	3.0
309.03989	1.0
311.05539	1.5
313.03397	53.3
313.06161	2.1
314.03696	2.1
315.05063	3.5
323.05698	1.3
325.03397	4.8
325.07053	2.0
326.04016	1.8
327.04974	16.7
329.06580	1.1
331.04517	4.2
339.04504	1.1
341.06659	1.1
342.03741	6.6
343.04462	8.5
351.04944	2.9
353.02750	11.2
354.03278	0.9
355.04364	16.1
367.04376	1.5
369.02026	1.5
369.06119	2.8
370.03217	1.3
371.03714	4.3
373.05219	1.5
383.03958	2.6
389.64294	0.8
397.05460	2.3
399.07126	1.4
415.06595	12.3
415.25378	1.5
425.05078	1.5
443.06064	25.3
444.06390	1.6
460.22153	0.9
460.35379	1.1
461.07101	100.0
462.07364	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34188	1.0
54.45098	0.8
55.01863	3.3
55.05508	1.1
61.02909	2.6
65.03919	1.1
68.99802	1.5
69.03414	1.9
69.06709	1.7
69.07104	5.0
70.06599	3.8
71.06879	1.0
72.08149	2.9
73.02913	26.4
74.03252	0.8
79.05479	1.1
81.03408	2.2
81.07037	1.1
83.01321	0.9
84.04485	1.3
84.08123	2.8
85.02893	3.8
86.06073	0.9
86.09705	8.2
87.04455	2.0
87.10010	1.3
89.06026	15.9
91.05510	2.7
92.99745	1.4
95.04950	0.9
97.02891	1.3
104.07117	2.3
105.06981	1.2
107.08597	1.1
109.02872	2.4
110.07133	1.7
117.05538	1.1
119.04173	1.0
119.04949	8.5
119.08573	0.8
121.02855	21.1
121.10176	0.8
123.00784	1.5
127.03970	0.9
129.10202	1.4
130.06586	1.0
133.08580	10.7
134.08842	1.4
135.11665	0.9
137.02254	1.1
138.05522	0.9
141.01765	1.6
145.02905	1.3
147.04422	4.3
149.11679	0.8
151.00293	0.9
151.03889	2.7
151.05031	0.8
155.04875	1.5
163.00298	1.0
163.03976	1.9
166.99678	1.1
168.00528	3.4
169.01280	5.5
169.07603	2.5
173.12814	0.9
177.11212	3.5
181.01283	5.1
185.07138	1.0
186.01578	2.7
194.99274	5.0
197.00781	2.6
199.02388	2.8
205.10724	0.8
206.99268	2.0
209.00769	3.6
213.00269	14.1
213.06598	3.5
221.00803	1.1
231.07681	3.8
237.00282	4.1
239.03485	0.9
241.04942	2.4
250.98325	1.0
257.04431	3.1
261.14499	1.2
267.02856	1.5
268.03696	1.2
269.04431	16.4
270.05093	1.4
279.01370	0.9
285.03885	7.0
286.04651	12.5
287.05438	22.0
295.05927	1.2
297.03915	7.8
298.04733	1.1
299.05518	17.2
301.03452	3.0
309.03989	1.0
311.05539	1.5
313.03397	53.3
313.06161	2.1
314.03696	2.1
315.05063	3.5
323.05698	1.3
325.03397	4.8
325.07053	2.0
326.04016	1.8
327.04974	16.7
329.06580	1.1
331.04517	4.2
339.04504	1.1
341.06659	1.1
342.03741	6.6
343.04462	8.5
351.04944	2.9
353.02750	11.2
354.03278	0.9
355.04364	16.1
367.04376	1.5
369.02026	1.5
369.06119	2.8
370.03217	1.3
371.03714	4.3
373.05219	1.5
383.03958	2.6
389.64294	0.8
397.05460	2.3
399.07126	1.4
415.06595	12.3
415.25378	1.5
425.05078	1.5
443.06064	25.3
444.06390	1.6
460.22153	0.9
460.35379	1.1
461.07101	100.0
462.07364	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1073
Annotation	Apigenin 7-O-beta-D-glucuronopyranoside methyl ester
Peak:m/z	Relative Intensity
68.99788	0.2
69.03419	0.3
71.01346	0.2
82.42361	0.1
85.02872	0.6
87.04434	0.2
89.48342	0.1
91.05461	0.2
95.01308	0.8
95.04961	0.2
97.02884	0.2
98.23466	0.4
99.00822	0.2
103.05455	1.9
105.03368	0.8
113.02345	0.2
123.00776	6.4
125.02290	0.1
129.03365	0.2
131.03362	0.1
141.01802	0.7
141.06992	0.3
143.13783	0.1
151.00290	0.2
151.03891	0.1
153.01807	0.9
169.01286	1.3
179.04819	0.2
195.50314	0.1
197.06039	0.1
199.02353	0.5
207.04391	0.2
225.05426	1.0
229.04857	0.3
241.04832	0.1
253.04939	2.9
269.04428	0.1
270.05164	1.7
271.05969	100.0
272.03345	0.2
272.06305	4.2
285.07538	3.6
299.05499	3.4
300.05988	0.2
356.21518	0.1
461.11118	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	461.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92279	0.1
53.79203	0.1
64.68307	0.1
68.99792	0.2
69.29351	0.3
70.00571	0.1
71.01324	0.2
73.01870	0.1
73.02903	0.3
84.02100	0.1
85.02888	0.6
90.94376	0.1
95.01339	0.1
99.00751	0.2
101.02340	0.1
103.05406	0.1
105.03364	0.6
112.01500	0.2
113.02361	0.4
127.00241	0.1
131.03374	0.1
131.04855	0.1
137.02275	0.1
140.01013	0.5
140.06071	0.1
141.01721	0.1
159.02823	0.2
168.00514	4.9
168.05673	0.1
169.00870	0.1
184.05132	0.1
186.01569	1.9
196.05162	0.2
213.05478	0.1
224.04608	0.4
239.06990	0.5
241.04889	0.3
242.05742	1.2
252.04303	0.1
253.04857	0.2
267.06525	0.2
269.04370	0.5
270.05173	73.5
271.05585	3.6
284.07034	0.1
285.07513	100.0
286.07870	4.2
461.10757	0.7
468.62100	0.1
468.82230	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	461.108
Annotation	Apigenin 7-O-beta-D-glucuronopyranoside methyl ester
Peak:m/z	Relative Intensity
57.03392	0.1
60.62369	0.1
68.42534	0.1
68.99803	0.3
69.03433	0.2
71.01363	0.2
71.09869	0.2
73.49746	0.1
76.84797	0.1
85.02898	0.5
87.04459	0.1
95.01315	0.4
97.02867	0.3
99.00788	0.2
102.05355	0.1
103.05459	1.6
105.03391	0.6
111.05590	0.2
114.35886	0.1
117.76003	0.1
123.00790	5.7
125.07032	0.1
129.03328	0.1
131.03415	0.1
131.04970	0.2
141.01794	0.6
141.06973	0.3
143.83270	0.1
151.00278	0.2
153.01817	0.5
169.01332	1.7
169.40297	0.1
179.04785	0.1
181.01277	0.1
197.06042	0.2
199.02371	0.2
225.05478	1.0
229.05003	0.3
241.04872	0.1
253.04953	2.6
254.05443	0.1
270.05258	0.4
271.05984	100.0
272.06339	4.3
272.08594	0.1
285.07523	0.3
299.05527	1.5
429.13165	0.2
433.96347	0.1
461.10486	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	461.1073
Annotation	Baicalein 6-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
57.12796	0.1
59.93492	0.1
62.74621	0.1
62.76885	0.1
68.99771	0.1
69.09254	0.2
69.09648	0.6
74.03159	0.1
85.02870	0.2
103.05437	0.2
104.06189	0.1
105.03383	0.5
112.01540	0.1
116.06232	0.2
131.04939	0.3
139.00241	0.2
140.00987	0.2
140.06203	0.1
141.06961	0.1
144.05647	0.4
151.05386	0.1
168.00539	0.6
168.05696	0.7
169.06387	0.2
171.04390	0.3
172.05142	0.1
173.05983	0.1
179.04919	1.5
185.05894	0.1
186.01570	0.3
186.06572	0.1
196.05203	0.2
197.05946	0.2
199.03877	0.3
213.05446	0.3
217.04884	0.2
218.05704	0.2
224.04529	0.3
241.04944	0.5
242.05751	1.2
252.04158	0.7
269.04388	1.0
270.05188	73.0
271.05515	3.5
283.09741	0.1
284.03043	0.7
285.07532	100.0
286.07877	4.1
398.17279	0.1
461.10794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34985	1.1
70.06580	0.6
72.15397	0.2
103.05500	0.4
105.03395	0.8
105.21673	0.2
107.04918	0.3
112.08725	0.3
131.04924	0.7
139.00301	0.3
147.48645	0.2
158.85689	0.2
168.00496	1.8
168.05687	0.5
179.04895	0.8
186.01588	0.7
224.04836	0.3
228.32634	0.3
241.04945	0.5
242.05688	0.8
252.04297	0.4
257.04443	0.4
269.04459	0.6
270.05212	75.3
271.05545	3.4
271.10251	0.7
284.03259	0.4
285.07550	100.0
286.07898	4.5
286.11035	0.4
296.19659	0.3
329.15652	0.4
417.17761	1.0
443.15741	0.6
461.10724	0.8
461.20090	4.0
462.20193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.108
Annotation	Baicalein 6-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
69.07032	0.2
70.06586	0.4
71.12550	0.3
86.09712	0.7
93.97143	0.2
95.85846	0.2
102.89572	0.2
103.02154	0.2
105.03377	0.3
109.02774	0.2
110.07176	0.2
131.04916	0.4
136.81255	0.2
145.22037	0.2
163.95767	0.2
164.62885	0.2
168.00546	0.4
168.05626	0.4
179.04944	0.7
182.63875	0.2
224.04694	0.3
224.46167	0.2
224.99135	0.2
241.04913	0.7
242.05748	0.9
247.77263	0.2
257.04617	0.2
269.04572	0.6
270.05219	54.7
271.05643	2.0
271.10349	0.4
284.03271	0.4
285.07553	100.0
286.07910	3.2
417.17535	0.4
461.10437	0.8
461.16656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1439
Annotation	6''-O-Acetylliquiritin
Peak:m/z	Relative Intensity
53.03952	0.7
55.05500	0.8
57.03422	0.6
64.62908	0.5
67.05499	1.7
68.99782	3.6
69.03413	0.6
69.07073	1.0
69.14069	3.5
71.05003	0.7
73.02949	0.4
73.99883	0.5
79.05491	2.7
81.03405	2.8
81.07060	1.4
83.08610	0.7
84.04526	0.6
85.02892	1.9
85.06501	0.7
86.63747	0.5
87.00887	0.5
87.04456	0.9
89.06036	1.8
91.05484	1.8
92.99774	0.5
93.07035	1.1
95.04958	1.7
95.08620	1.1
95.38834	0.5
97.00350	0.5
97.02888	0.7
98.10817	0.5
98.23429	1.0
103.05470	0.9
105.07008	2.9
107.04967	0.8
107.08588	0.6
109.02876	0.9
111.04457	0.9
113.00006	1.0
114.03780	0.7
115.05457	0.7
117.07010	1.2
119.04950	1.2
119.08563	0.7
121.02872	1.4
121.04605	0.6
121.06492	1.5
123.04367	0.8
124.03970	0.8
127.01563	2.0
127.03889	2.0
129.06972	0.6
130.05058	0.4
131.04924	1.5
131.08501	0.7
133.06477	2.0
133.08583	0.5
135.04428	2.8
135.08078	0.5
137.02348	43.7
137.03448	3.9
138.02686	1.3
138.05499	0.9
139.01541	3.3
143.02347	0.4
143.04903	0.6
145.06459	0.9
147.04417	2.2
149.06006	1.9
149.13313	0.5
151.03926	0.9
151.27234	0.5
153.03079	2.4
158.06403	0.7
160.89749	0.5
161.02322	4.5
161.05948	2.3
163.07556	1.0
165.05542	2.6
165.06813	0.6
171.03009	0.9
171.04369	1.1
173.02293	0.7
173.06017	2.1
175.07443	0.6
177.12556	0.5
179.03380	4.0
179.07076	2.9
183.04237	0.5
189.05450	5.0
191.03444	1.1
191.07060	1.5
193.04942	1.8
195.10168	0.6
197.05843	1.4
199.03882	0.7
199.14955	0.5
203.03323	1.1
205.08633	1.0
207.06532	5.4
209.04381	0.5
213.14677	1.4
215.06929	0.7
217.04800	2.3
223.06044	1.9
231.06604	1.7
233.08107	1.2
235.06033	1.5
239.06981	1.3
241.14119	1.3
243.06482	0.9
245.04324	0.5
247.09741	0.8
255.02995	0.8
255.06535	1.8
267.06549	2.0
267.10196	4.1
268.07315	0.9
269.08102	1.2
270.05212	1.0
271.06018	5.9
279.06470	1.4
279.09991	0.7
280.07315	1.5
281.08121	6.8
282.08884	2.4
283.06015	6.4
283.09598	1.8
285.07535	2.0
286.04666	0.6
287.05389	0.9
289.03345	4.4
294.05313	1.2
295.06406	1.0
295.09616	18.0
296.10110	1.5
297.11212	7.3
298.08380	1.3
299.05530	2.3
299.08853	1.0
303.05078	1.7
305.08047	1.4
306.08774	0.8
307.06140	1.1
307.09637	1.2
308.06689	1.6
309.07550	21.6
310.07819	1.2
310.11551	0.5
311.12561	0.8
313.07019	3.9
313.10739	4.1
315.04965	2.0
319.05991	1.2
323.05417	1.8
323.09091	20.5
324.09717	1.3
325.07053	2.1
327.12302	1.4
329.06458	3.8
331.04437	0.7
333.07507	0.9
335.05569	1.5
337.06979	0.8
339.08585	4.5
339.12332	1.3
341.06491	2.5
341.10217	9.1
342.10513	0.6
351.08545	7.9
352.05658	1.6
355.11841	2.8
357.09656	2.9
357.13519	0.7
357.18674	0.5
361.07425	0.7
365.10162	1.3
367.08099	23.8
368.08481	1.1
369.09503	0.9
375.19824	3.1
379.08057	4.8
383.11258	13.9
393.09811	1.0
401.12347	11.1
411.10715	100.0
412.11057	6.4
417.15393	0.4
417.20923	9.0
429.11752	5.7
443.13345	8.5
443.27603	0.6
461.14209	4.5
461.19971	13.6
461.28827	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.144
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
58.87427	0.2
59.49440	0.2
61.53706	0.2
65.03915	0.3
70.93356	0.4
71.52390	0.2
79.05484	0.4
81.07031	0.3
81.07667	0.2
85.92792	0.2
89.03849	0.2
91.05451	0.4
92.79324	0.2
93.07013	0.2
95.04935	0.5
103.05453	1.5
117.03402	0.4
120.02066	0.3
121.02856	4.1
131.04938	0.5
134.03619	1.0
135.04401	2.6
137.02315	2.0
145.68626	0.2
147.00803	0.7
147.04387	0.2
149.05902	0.3
151.04044	0.2
153.05356	0.3
161.02322	4.3
162.02582	0.2
165.01822	4.9
165.07033	0.2
179.03387	1.4
181.06453	0.7
183.02855	0.3
192.93903	0.3
193.04999	0.6
195.08012	0.5
197.04391	0.3
197.05968	0.6
209.06033	0.3
225.05414	0.5
226.06210	3.5
229.04845	0.2
237.05394	2.2
239.06984	1.0
251.06946	0.5
253.04933	4.9
253.07440	0.4
254.05688	4.8
255.06487	11.6
256.06784	0.4
267.06485	0.6
269.08054	19.8
270.08337	0.7
281.04395	2.7
281.07596	0.4
282.08905	0.5
286.04593	0.4
295.06000	0.9
295.09650	0.9
299.05450	0.5
311.12756	0.9
313.07013	100.0
314.07370	4.1
351.08740	0.3
355.11838	0.3
373.12817	0.3
383.11188	0.4
411.10556	1.3
443.13333	27.2
444.13821	1.7
461.14456	0.9
461.21338	1.4
461.27542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1439
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
61.02916	0.5
69.03423	1.0
69.61291	1.7
81.03391	0.4
85.02901	3.2
91.05420	0.4
92.29415	0.4
97.02881	0.7
100.80992	0.4
104.52341	0.4
105.03336	0.5
106.43021	0.5
121.74600	0.5
136.01550	1.4
179.03404	0.7
182.02092	0.8
205.23064	0.5
238.06227	3.3
241.04903	0.8
254.05717	1.4
255.06503	17.2
256.06854	0.6
266.05670	1.2
267.06516	3.2
269.04425	0.8
270.05188	22.6
271.05768	1.4
283.06006	16.3
284.06741	21.1
285.07538	32.7
286.07993	1.7
299.09103	100.0
300.09406	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	461.1442
Annotation	5-Hydroxy-7,8-dimethoxyflavone 5-glucoside
Peak:m/z	Relative Intensity
51.30005	0.4
54.11832	0.3
54.15148	0.3
67.81660	0.4
69.03445	0.5
69.48855	1.4
70.06638	0.5
103.05490	0.9
107.08636	0.4
107.64328	0.4
125.02366	0.5
131.04930	0.7
139.00244	2.4
151.03940	0.5
153.01817	3.4
171.02950	0.4
199.02370	1.9
204.35817	0.4
208.09795	0.8
213.10587	0.4
241.04959	13.6
269.04428	63.7
270.04996	4.8
271.05988	1.5
284.03616	0.8
284.06769	14.2
285.07501	4.3
299.05582	11.4
299.09079	100.0
300.09387	3.9
381.54919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02999	8.5
55.05506	5.8
60.05647	6.8
60.06015	1.3
68.05032	1.7
68.99779	2.5
69.43873	5.9
69.44295	2.6
70.02956	5.8
70.06590	100.0
71.04985	5.1
71.06888	1.4
72.08153	67.3
79.05487	2.2
81.04536	3.7
82.02943	20.7
82.06573	1.9
87.07974	1.6
91.97745	1.5
97.07649	24.1
98.09693	92.7
98.23387	3.0
100.07622	2.2
100.69760	1.6
103.05470	6.2
106.06563	6.2
109.04019	3.9
111.05533	3.7
112.03966	5.9
112.05065	1.5
112.08730	18.3
114.10291	69.4
116.07085	9.3
123.09190	1.7
124.04006	1.8
124.05070	9.2
124.07588	25.3
130.09766	16.0
131.04927	26.7
131.12933	3.2
135.04404	1.8
137.03455	3.9
138.00897	2.5
138.01808	13.4
140.08185	1.9
140.11815	9.0
147.04428	2.1
150.01849	12.3
151.03918	8.8
151.04927	1.7
156.02917	28.2
157.01303	4.6
157.14490	63.4
158.09277	11.0
158.14862	1.6
161.03447	3.2
163.03952	3.3
165.09088	1.9
165.10303	2.4
166.08606	10.8
166.09770	21.7
168.02921	3.1
173.05956	3.7
175.11916	22.8
178.42540	1.5
183.12454	4.4
186.12724	3.8
187.03911	5.5
192.04095	3.2
192.06534	5.2
199.07555	2.3
203.04604	2.1
204.59906	1.6
205.02414	2.4
208.10829	7.3
209.09331	1.7
210.07565	16.3
221.05783	1.6
225.13503	2.4
231.04022	2.6
234.08710	7.5
234.52315	1.5
235.07104	2.8
242.08160	10.8
251.11342	6.0
253.08205	5.1
254.06566	2.7
269.12564	1.7
270.05225	3.8
270.14914	3.5
285.07620	5.6
295.10587	1.7
295.14215	1.7
312.17010	2.7
329.19724	23.0
333.07874	3.8
338.14975	13.6
339.13385	4.3
355.17661	9.3
373.18646	4.6
382.13956	1.8
399.16571	17.6
461.20215	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	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.9
56.53704	0.7
59.04866	15.3
60.05648	21.4
65.03946	1.4
69.03412	1.3
69.87757	0.9
70.06592	78.9
71.04993	10.0
71.06932	1.1
71.40775	0.8
72.05637	1.4
72.08167	4.2
73.06420	1.5
79.05491	0.8
81.03416	1.5
82.06555	1.3
84.04496	0.9
85.07648	1.8
86.07190	20.2
86.09688	0.9
87.07972	46.2
88.07615	2.0
88.08319	0.9
91.05795	1.8
95.06070	1.9
97.02886	0.9
97.07623	1.4
98.06087	1.0
99.04441	1.0
100.07623	1.8
107.04940	1.2
108.02095	1.9
109.02868	0.9
109.04027	2.1
110.04789	0.8
111.05567	1.2
112.08707	4.8
113.05962	0.7
113.07107	1.5
114.10287	3.3
116.07101	13.3
119.04964	1.1
119.06921	2.9
122.05988	0.8
125.07111	1.0
130.09761	41.1
131.04883	0.9
131.07048	0.8
133.67137	0.8
136.06210	0.9
137.03442	1.3
141.05496	1.1
147.04381	1.0
151.02655	1.8
151.03903	38.8
151.05013	3.5
152.04204	1.0
158.09248	32.4
159.10023	8.8
160.10843	2.3
161.03471	1.5
163.03888	1.1
165.06564	1.0
167.05594	1.0
168.02916	2.5
171.04405	0.9
178.01439	0.9
187.03911	7.2
189.01889	1.0
200.02792	0.8
220.06035	22.1
222.07512	1.3
225.00310	1.0
245.05609	1.1
256.06091	1.2
257.04419	6.5
257.06625	1.0
263.06497	1.2
266.06604	2.8
270.05182	5.9
271.05679	0.8
275.03079	0.9
284.05600	2.4
285.03748	5.7
285.06381	11.4
286.07086	3.0
291.06207	1.4
295.08212	0.9
298.85239	0.8
310.10745	2.3
325.11420	1.6
338.10175	17.4
356.11194	11.3
359.02808	1.7
383.12347	0.9
384.10611	1.0
399.16617	1.0
402.11865	7.9
409.10403	1.1
443.15628	6.3
444.14105	4.5
461.16656	100.0
462.16721	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	461.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48032	1.1
67.05527	1.3
69.91393	2.4
69.91788	2.6
81.59255	1.4
83.10695	1.2
98.22717	1.9
98.97567	2.8
112.42147	1.2
116.98602	2.0
140.72426	1.2
176.64461	1.3
237.02882	1.7
281.39346	1.3
304.93246	1.3
315.83841	1.4
347.13828	2.7
356.15274	1.4
461.17798	100.0
462.18298	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	461.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43276	0.4
54.16484	0.4
60.99649	0.4
62.01927	0.4
63.58224	0.4
69.03372	0.4
70.06583	0.8
72.08146	0.9
73.04744	0.5
80.79631	0.4
84.04496	0.6
84.08137	0.5
85.02903	0.5
86.09696	5.1
92.72394	0.4
131.84531	0.4
133.95038	0.4
147.04408	0.5
147.07602	0.5
148.12140	0.5
158.76862	0.4
167.05670	0.5
167.07054	1.1
173.12901	0.5
176.47502	0.4
201.03740	0.7
213.11211	0.9
243.13390	0.5
253.91200	0.4
275.07520	0.4
329.14792	0.7
333.07904	18.6
334.08173	0.5
335.09375	1.0
359.02673	0.7
359.09885	0.6
461.13428	29.9
461.19806	100.0
462.13739	2.2
462.20172	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	461.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43276	0.4
54.16484	0.4
60.99649	0.4
62.01927	0.4
63.58224	0.4
69.03372	0.4
70.06583	0.8
72.08146	0.9
73.04744	0.5
80.79631	0.4
84.04496	0.6
84.08137	0.5
85.02903	0.5
86.09696	5.1
92.72394	0.4
131.84531	0.4
133.95038	0.4
147.04408	0.5
147.07602	0.5
148.12140	0.5
158.76862	0.4
167.05670	0.5
167.07054	1.1
173.12901	0.5
176.47502	0.4
201.03740	0.7
213.11211	0.9
243.13390	0.5
253.91200	0.4
275.07520	0.4
329.14792	0.7
333.07904	18.6
334.08173	0.5
335.09375	1.0
359.02673	0.7
359.09885	0.6
461.13428	29.9
461.19806	100.0
462.13739	2.2
462.20172	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	461.2142
Annotation	Trp Gln Gln
Peak:m/z	Relative Intensity
55.05504	0.5
67.05492	0.5
69.03429	1.6
70.92346	0.4
71.89539	0.3
79.05470	0.5
81.07047	0.7
83.04971	1.3
91.05491	0.6
93.07021	0.3
95.04952	0.4
99.83630	0.3
100.35639	0.3
105.07015	0.4
107.08575	0.3
111.04433	3.6
114.24406	0.3
126.32131	0.3
127.01596	0.3
131.08600	0.4
133.10100	0.4
137.02263	0.4
143.08553	0.4
145.10144	0.7
150.14870	0.3
155.08502	0.4
157.10098	0.5
169.10019	0.4
173.13211	0.4
181.10217	0.5
182.04274	0.3
204.92400	0.3
213.26440	0.3
221.11420	0.9
221.13373	0.5
223.60178	0.3
255.06409	0.4
269.08090	0.5
313.07010	5.3
314.07339	0.3
355.18710	4.3
373.20056	0.7
401.19244	5.1
402.19617	0.4
443.13284	0.6
461.21399	100.0
462.21683	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	461.2146
Annotation	Trp Gln Gln
Peak:m/z	Relative Intensity
55.05497	0.4
64.19543	0.3
67.05476	0.3
69.03427	1.9
69.47762	0.2
69.55889	0.2
73.02915	0.7
79.05484	0.3
79.27277	0.2
81.03416	0.4
81.07032	0.5
83.04971	1.7
83.06321	0.3
84.04491	1.6
85.02918	0.3
85.06549	0.3
91.05486	1.0
93.07054	0.5
95.08595	0.6
96.13861	0.2
100.11251	0.5
105.07022	0.9
107.08595	0.7
111.04433	4.8
117.07002	0.5
119.08579	0.6
124.89743	0.2
130.05005	0.7
131.08553	0.6
133.10168	0.4
139.14851	0.3
141.34993	0.2
143.08601	0.3
145.10117	0.6
147.07716	0.7
153.03101	0.4
155.08659	0.3
156.09232	0.4
157.10130	0.7
159.11649	0.3
161.09529	0.3
163.14752	0.4
171.11674	0.4
173.13254	0.8
174.13971	0.3
191.14365	0.5
210.22610	0.2
230.42981	0.2
270.05188	3.5
271.05771	0.4
285.07547	4.0
341.17157	0.4
358.48392	0.3
359.02252	0.2
371.18158	0.7
401.19308	4.7
461.21411	100.0
462.21738	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	461.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66064	0.3
52.28507	0.2
52.95456	0.3
54.81586	0.3
55.05488	0.7
65.03871	0.3
67.05465	0.5
68.92076	0.2
69.03418	1.6
73.02885	0.4
79.05473	0.5
81.03391	0.6
81.07043	0.6
83.04970	1.7
84.04478	0.8
85.02914	0.3
91.05435	0.9
93.07027	0.5
95.08609	0.6
98.22687	0.5
102.05479	0.2
103.05441	0.4
105.03339	0.7
105.06994	0.8
107.08548	0.8
111.04439	3.7
115.05409	0.2
116.79839	0.3
119.08558	1.0
120.09074	0.3
120.28282	0.3
120.30231	0.3
121.02837	0.5
121.10100	0.5
129.06946	0.4
129.68626	0.3
130.05022	0.6
131.08513	0.4
133.10121	0.5
141.06929	0.3
145.10106	0.6
147.07535	0.3
149.09602	0.3
149.13191	0.3
151.03595	0.6
157.10106	0.6
159.11633	0.4
161.05986	0.3
161.13252	0.3
163.14902	0.3
168.00510	0.3
171.11649	0.4
173.13255	0.8
179.04871	0.8
183.11627	0.3
191.14209	0.3
197.05934	0.3
219.98260	0.3
241.04926	0.3
242.05774	0.9
268.72345	0.3
269.04398	0.5
270.05209	56.9
271.05597	3.2
284.03226	0.7
285.07556	83.1
286.07895	5.1
341.17279	0.3
371.18210	0.6
401.19354	4.4
461.21426	100.0
462.21796	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	461.2146
Annotation	Trp Gln Gln
Peak:m/z	Relative Intensity
55.05499	0.3
59.83464	0.2
62.58725	0.3
67.05478	0.4
67.27593	0.2
69.03419	1.1
71.43317	0.4
76.36156	0.2
79.05460	0.4
81.07044	0.5
83.04959	1.0
93.07007	0.3
97.06563	0.3
105.07008	0.5
111.04437	2.5
121.10053	0.3
124.03969	0.6
130.05002	0.4
130.55151	0.3
151.07530	0.8
155.08554	0.3
177.05446	0.3
191.10637	0.4
270.05182	3.6
271.05823	0.4
285.07535	4.2
355.18906	2.4
401.19260	3.7
461.21417	100.0
462.15860	0.3
462.21774	5.4
462.28214	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	461.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	4.7
69.54163	4.0
70.06577	1.8
72.08148	4.0
73.04761	2.5
74.06071	1.5
78.39886	1.0
81.89767	0.9
84.04499	47.4
84.05006	2.3
84.08162	1.9
85.02882	1.7
86.09698	100.0
87.10037	2.1
90.05544	2.1
91.05806	5.7
94.06580	0.9
102.05537	27.4
120.04462	1.3
122.06017	2.4
129.06598	5.6
129.10197	2.8
130.04974	2.1
133.21393	0.9
167.05577	2.2
167.06953	2.5
167.08189	8.4
168.06569	3.1
179.27629	1.1
181.08620	1.6
185.16638	0.9
186.07513	1.1
195.07623	6.3
196.06042	1.7
197.12878	1.9
203.13887	22.9
204.14180	1.2
211.09668	1.7
213.08694	6.1
215.13850	1.9
225.04369	1.5
231.09752	13.8
241.08182	9.3
249.10760	2.9
251.06900	1.3
253.10573	2.2
259.09219	22.8
308.15787	1.0
320.30301	1.0
326.17023	4.9
354.16629	3.8
359.03021	4.8
372.17603	1.7
429.08847	1.6
458.43011	1.2
461.05334	1.1
461.16309	2.3
462.16577	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	461.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01877	8.8
55.05507	39.0
57.03443	8.7
67.05495	86.3
69.07065	33.1
71.05003	8.7
72.14201	4.3
79.05488	73.7
81.03424	13.5
81.07051	86.8
81.07491	5.9
83.04991	13.2
83.08617	25.6
83.34592	4.0
84.35312	4.1
85.06539	9.5
91.05475	100.0
93.07040	63.3
95.04959	26.7
95.08601	44.6
97.06538	10.2
97.10190	6.5
99.08097	4.1
103.05473	9.2
105.04525	5.6
105.07030	67.9
107.04947	12.3
107.08588	29.4
109.06542	12.0
109.10167	19.7
111.08089	9.6
115.05464	7.7
115.41690	3.7
117.07020	49.7
119.04954	5.6
119.08568	41.1
121.06549	16.0
121.10159	22.5
123.08057	5.7
123.11705	5.8
125.09650	4.6
127.01537	8.8
128.06270	12.6
129.06993	69.7
131.05086	3.3
131.08568	72.8
133.06575	6.4
133.10114	28.2
135.08058	10.6
135.11719	12.6
139.11174	4.2
141.06981	27.7
142.07761	10.5
143.08554	43.6
145.06531	15.1
145.10129	36.9
145.11156	5.9
147.08029	10.5
147.11716	9.5
149.09688	6.5
149.13298	11.3
155.08545	27.0
157.06540	4.2
157.10107	28.9
159.08041	5.1
159.11690	21.3
163.11191	7.1
165.06996	5.8
167.08618	13.6
169.10135	18.4
171.08260	4.1
171.11722	11.3
173.09665	5.3
173.13280	6.5
175.11208	6.2
175.14894	5.3
175.71552	4.1
179.08556	6.8
181.10141	14.2
183.11710	12.3
185.09691	4.8
185.13322	9.1
187.14853	9.3
189.12790	5.1
193.10194	9.0
193.12265	9.1
195.11737	13.6
197.13333	9.0
199.11249	4.3
199.14893	7.5
207.11748	7.2
209.13310	11.5
211.14914	6.0
213.12886	4.0
215.14374	9.7
221.13289	9.0
223.14919	5.2
233.15469	6.1
239.14401	7.4
247.14789	5.8
253.15802	7.1
255.17490	4.8
323.23630	10.0
333.22183	14.5
341.24725	11.5
342.44281	3.8
351.23145	48.0
352.23547	4.3
369.24127	44.5
387.25223	24.5
443.27905	58.9
461.21292	99.4
461.28900	47.5
462.22360	4.0
462.29547	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	461.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49946	0.5
67.05499	1.2
68.60400	0.5
69.07049	0.7
73.39812	0.6
79.05502	0.8
81.03409	0.8
81.07059	1.0
83.08629	0.6
91.05477	1.2
91.82866	0.5
93.07048	1.5
95.05003	0.6
98.23511	1.1
105.07039	0.9
107.08617	1.0
119.78780	0.5
138.83000	0.5
159.31828	0.6
223.92090	0.6
331.10492	0.6
351.21393	26.7
352.21860	0.9
387.17258	0.7
424.68243	0.6
435.82202	0.6
461.32388	100.0
462.11316	0.7
462.32822	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	462.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	0.7
68.80257	0.5
84.32272	0.5
102.03180	1.2
102.50624	0.5
146.02142	5.1
155.90886	0.5
196.58118	0.5
287.05356	0.6
321.18069	1.0
339.19272	9.6
339.23108	0.8
340.19800	0.6
389.60651	0.5
462.22510	100.0
463.22769	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	462.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06176	0.9
55.05516	1.1
56.05016	1.2
61.45529	1.1
69.03416	2.0
69.85851	2.1
69.86209	2.4
70.06593	3.2
72.08147	5.8
73.04739	5.7
81.03439	1.5
83.09626	1.1
84.04489	3.0
84.08141	5.8
85.02914	8.7
86.09692	9.2
87.04512	1.2
87.10064	1.6
89.06026	100.0
91.05785	14.1
97.02875	2.7
98.23462	1.2
100.89037	1.1
102.05553	2.1
107.07069	2.9
111.69941	1.1
120.04443	5.9
129.10243	3.3
133.08594	44.7
138.05490	3.2
139.41721	1.1
145.05011	1.3
148.95561	1.2
167.05522	7.3
174.11255	3.8
177.11220	19.0
192.80931	1.1
195.12256	4.2
195.63071	1.1
225.04391	1.4
239.14915	2.1
283.17480	94.9
284.17874	2.3
287.05377	3.1
342.99423	1.7
359.02890	9.9
429.08789	4.9
462.19205	10.8
463.17630	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	463.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.1
55.01864	0.3
57.03422	0.5
68.99794	0.3
70.06595	0.4
71.01353	1.2
71.42913	0.2
72.08160	0.2
73.02912	1.7
73.04713	0.2
83.01341	0.3
84.04493	0.3
85.02903	3.3
86.09688	0.3
91.05426	0.3
95.01304	1.1
97.02875	0.3
98.00032	0.2
99.00807	0.2
101.02358	0.5
103.03926	0.2
113.02369	1.2
119.04936	3.0
120.08096	0.4
121.02870	0.9
123.00778	3.2
124.50350	0.2
131.03387	0.6
131.04836	0.2
141.01811	1.1
145.02843	0.2
146.05984	0.2
147.04396	0.3
149.02211	0.1
149.15768	0.2
151.00313	0.3
151.03896	0.2
157.06468	0.3
159.02882	0.3
167.05406	0.1
169.01320	2.1
185.00836	0.2
213.05370	0.3
215.12540	0.2
220.23886	0.2
241.04910	0.8
243.11920	0.2
245.04430	0.4
247.02283	0.2
269.04376	2.0
286.04733	0.5
287.05466	100.0
288.05814	4.4
301.06982	0.5
349.06784	0.3
360.02802	0.3
377.17957	0.4
419.18933	1.2
463.08667	4.8
463.17880	1.7
464.09204	0.2
464.17841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
57.03411	0.2
60.82640	0.2
68.73444	0.2
68.99802	0.3
69.30473	0.9
71.01363	0.5
73.02905	0.7
85.02894	1.5
91.05469	2.2
95.01312	0.5
101.02315	0.3
102.50566	0.2
107.05805	0.2
113.02344	0.4
119.04934	2.3
120.05202	0.3
121.02864	0.8
123.00780	2.6
131.03354	0.3
141.01839	0.6
151.00293	0.3
157.06346	0.2
161.83870	0.2
169.01314	14.3
189.23283	0.2
241.04967	0.7
245.04510	0.4
259.05945	0.4
260.14090	0.2
269.04419	1.3
287.05466	100.0
288.05783	5.6
288.08939	0.3
336.93289	0.2
423.14890	0.3
432.14026	0.2
463.08685	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	463.0871
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
52.74392	0.0
55.01863	0.0
57.03426	0.1
65.03918	0.1
68.99772	0.3
71.01356	0.2
73.02884	0.1
85.02897	0.2
91.05475	0.6
95.01311	0.2
95.04927	0.0
98.22708	0.1
99.00810	0.0
101.02383	0.0
111.00748	0.0
113.02381	0.2
119.04937	3.2
120.05200	0.0
121.02860	1.3
121.03822	0.0
122.02630	0.0
122.99878	0.1
123.00781	1.1
127.00150	0.0
129.06985	0.0
136.80544	0.0
139.00208	0.1
139.05516	0.0
141.01825	0.2
145.02829	0.4
147.04402	0.1
151.00247	0.2
157.06465	0.2
163.03876	0.1
167.05075	0.0
168.00598	0.0
169.01311	3.8
170.01656	0.1
171.04427	0.1
173.05904	0.1
185.05888	0.1
187.02347	0.1
189.05473	0.2
195.04375	0.1
199.03862	0.0
203.07111	0.0
213.05394	0.3
217.04979	0.1
231.06468	0.2
241.04942	0.7
245.04436	0.4
259.06094	0.3
269.04318	0.3
285.03680	0.0
286.04666	0.8
287.05472	100.0
288.05801	4.5
301.07050	0.4
316.15891	0.0
329.06320	0.1
463.08676	10.9
464.08990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0867
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
51.17308	0.1
57.25253	0.1
67.56360	0.1
69.13869	0.6
69.14268	0.4
75.70312	0.2
78.76794	0.2
80.19304	0.2
85.02903	0.2
86.79223	0.1
91.05474	0.5
95.01319	0.5
95.75880	0.1
113.02377	0.2
119.04926	3.2
119.97141	0.2
121.02869	1.1
123.00785	4.2
141.01831	0.3
144.21371	0.2
157.06459	0.3
169.01309	2.2
213.05391	0.4
241.04973	0.8
245.04439	0.6
259.05917	0.2
263.05136	0.2
269.04370	2.2
287.05466	100.0
288.05795	4.3
463.08548	1.0
476.30518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0869
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
53.88488	0.2
66.12344	0.2
85.02891	0.3
91.04946	0.3
91.05475	4.7
95.01290	0.2
98.23430	0.5
119.04153	0.2
119.04939	2.4
121.02827	0.5
123.00787	0.5
129.54318	0.2
141.01851	0.2
163.03871	0.3
169.01314	24.4
170.01659	0.5
183.80075	0.2
245.04515	0.2
259.06070	0.4
281.37939	0.2
287.05475	100.0
288.05807	4.4
330.01959	0.2
463.08707	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37609	0.1
67.01849	0.2
68.99778	0.3
69.08206	0.9
71.01316	0.2
73.02876	0.1
85.02885	0.3
86.09670	0.2
91.05455	0.7
95.01332	0.2
100.09483	0.1
117.41808	0.1
119.04932	1.7
121.02828	0.5
123.00785	1.9
135.04385	0.3
137.02321	0.2
141.01768	0.3
147.04356	0.2
151.00223	0.3
153.01801	1.4
157.06415	0.3
159.42549	0.1
161.02339	0.1
169.01318	3.8
172.77782	0.1
213.05386	0.2
234.60316	0.1
241.04930	0.7
245.04301	0.2
259.06091	0.2
269.04373	1.1
270.04837	0.1
286.04599	0.1
287.05475	100.0
288.05789	3.8
331.17368	0.3
335.09561	0.1
366.97186	0.2
463.08713	1.5
463.21487	5.7
464.09360	0.1
464.21481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62653	0.2
68.99793	1.0
69.03417	0.3
69.96761	0.6
71.01344	0.2
73.02900	0.2
82.02769	0.2
85.02890	0.7
91.05470	0.5
96.04516	0.2
97.02888	0.2
105.07030	0.4
107.04947	2.7
119.04980	0.3
121.02853	0.3
121.06464	0.4
126.01067	0.7
131.05077	0.2
135.04414	1.3
137.02367	0.2
139.00261	0.3
141.01808	0.3
147.04425	0.4
151.03894	0.3
153.01817	23.2
154.02150	0.4
168.00522	0.5
169.01302	1.2
171.03114	0.2
183.02957	0.6
185.00826	0.8
186.01620	0.4
213.05441	0.4
250.85269	0.2
253.71349	0.2
259.06116	0.4
264.88849	0.2
286.04761	1.5
287.05475	100.0
288.05832	4.1
301.03644	0.4
301.07034	7.6
302.07312	0.5
306.85944	0.2
463.08612	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78731	0.2
69.70170	0.8
85.02873	0.4
91.04956	0.3
91.05473	4.5
113.02289	0.2
116.15862	0.3
119.04926	1.9
121.02836	0.5
123.00716	0.4
168.00507	0.6
169.01318	20.7
170.01607	0.4
183.02852	0.4
186.01581	0.2
213.40680	0.2
245.04340	0.3
259.06049	0.4
286.04617	2.4
287.05478	100.0
288.05801	4.9
301.07031	9.3
302.07407	0.4
463.08694	14.2
464.08981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.087
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01867	0.1
68.99783	0.2
70.06592	0.2
70.17771	0.2
70.18112	0.2
85.02903	0.4
86.09702	0.4
91.05466	0.5
95.01329	0.7
117.61578	0.1
119.04931	4.1
121.02857	1.4
123.00787	4.4
123.87244	0.1
124.70262	0.1
131.03435	0.2
141.01817	0.8
145.02786	0.2
151.00267	0.3
151.03876	0.2
155.37532	0.1
157.06454	0.3
169.01329	2.4
185.05939	0.1
213.05479	0.4
223.03862	0.1
235.02409	0.2
241.04933	1.1
245.04433	0.6
259.06180	0.3
269.04419	2.6
270.04681	0.2
286.04648	0.5
287.05469	100.0
288.05804	4.2
301.06909	0.8
360.02832	0.2
463.08707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00180	0.6
69.03418	1.1
69.08012	0.7
69.13831	2.8
69.14256	1.9
72.66947	0.8
73.02892	1.3
85.02895	3.8
86.07224	0.6
86.09660	1.1
97.02856	1.0
119.04961	1.6
121.02869	1.2
123.00776	1.9
123.64677	0.7
135.25661	0.8
159.02873	0.7
168.00546	1.6
174.42323	0.8
186.01709	0.7
189.11153	0.8
194.96986	0.8
195.04355	2.1
201.93321	0.7
216.40971	0.7
230.52512	0.7
234.05197	0.9
240.04184	1.1
285.03915	1.6
286.04678	66.5
287.05444	36.8
288.05893	1.8
301.07043	100.0
302.07281	4.2
325.78650	0.7
354.48529	0.8
378.90988	0.8
418.18863	0.8
463.08856	1.3
463.21307	2.3
464.21970	0.8
473.80783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
52.00180	0.6
69.03418	1.1
69.08012	0.7
69.13831	2.8
69.14256	1.9
72.66947	0.8
73.02892	1.3
85.02895	3.8
86.07224	0.6
86.09660	1.1
97.02856	1.0
119.04961	1.6
121.02869	1.2
123.00776	1.9
123.64677	0.7
135.25661	0.8
159.02873	0.7
168.00546	1.6
174.42323	0.8
186.01709	0.7
189.11153	0.8
194.96986	0.8
195.04355	2.1
201.93321	0.7
216.40971	0.7
230.52512	0.7
234.05197	0.9
240.04184	1.1
285.03915	1.6
286.04678	66.5
287.05444	36.8
288.05893	1.8
301.07043	100.0
302.07281	4.2
325.78650	0.7
354.48529	0.8
378.90988	0.8
418.18863	0.8
463.08856	1.3
463.21307	2.3
464.21970	0.8
473.80783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
50.05619	0.1
50.90225	0.1
68.30411	0.1
68.99803	0.2
69.30307	0.6
78.28348	0.1
85.02847	0.2
86.09684	0.2
91.17447	0.1
93.07005	0.1
95.77026	0.1
97.02815	0.2
118.04174	0.1
119.04904	0.5
120.05693	0.2
121.02857	0.8
127.03939	0.2
129.40617	0.1
135.04410	0.2
140.00948	0.3
147.04350	0.4
160.05200	0.3
163.11099	0.2
168.00508	1.7
171.04366	0.1
184.05173	0.3
186.01616	1.1
186.96451	0.1
187.03909	0.2
188.04529	0.2
192.48943	0.1
195.04391	1.4
196.60765	0.1
213.05432	0.2
216.03987	0.2
227.12752	0.3
229.04837	0.2
234.05119	0.3
240.04073	0.6
257.04379	0.6
258.05258	0.8
268.03601	0.5
283.15384	0.5
285.03885	1.0
286.04694	66.9
287.05307	5.4
300.02521	0.2
301.07043	100.0
302.07401	3.8
463.12283	3.0
463.17654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.2
58.26223	0.2
61.02916	0.2
68.59692	0.2
68.99787	1.0
69.03386	0.5
78.38995	0.2
81.03355	0.3
84.02038	0.2
85.02894	1.4
91.05473	1.2
97.02834	0.6
99.00776	0.4
103.05429	0.2
105.03379	0.3
106.65622	0.2
109.02845	0.2
112.01547	0.5
113.02354	0.2
119.04893	0.9
121.02785	0.8
123.00746	0.9
127.00237	0.4
127.03853	0.3
134.90654	0.2
137.56761	0.2
139.00230	1.3
140.01060	1.0
144.12297	0.2
145.39319	0.2
151.00266	0.3
151.03853	0.4
167.88727	0.2
167.99097	0.4
168.00533	7.9
169.01276	1.6
183.02870	5.5
184.03197	0.2
186.01581	3.5
206.22906	0.2
237.95232	0.2
241.04919	4.5
242.05428	0.3
258.05255	1.5
268.03607	0.7
269.04431	5.6
270.04712	0.4
285.03922	0.9
286.04684	29.8
287.05444	12.4
288.05765	0.7
300.09421	0.3
301.07031	100.0
302.07367	4.4
347.96429	0.2
463.12482	3.7
464.12549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
65.59365	0.3
66.29174	0.3
68.99761	0.6
69.54070	0.7
73.02904	0.6
78.86670	0.3
85.02911	1.5
91.05450	0.9
94.89666	0.3
97.02924	0.4
98.22651	0.4
111.00715	0.3
119.04917	0.9
121.02850	0.5
123.00771	0.9
139.00220	0.6
140.01001	0.6
153.01836	0.3
153.88191	0.3
154.38066	0.4
168.00546	4.5
168.47615	0.3
169.01303	3.8
183.02869	5.2
184.03220	0.3
186.01526	1.9
188.97050	0.3
197.06050	0.3
241.04974	2.4
258.05243	1.3
268.03757	0.5
269.04391	2.7
285.03888	0.8
286.04697	14.9
287.05475	38.5
288.05820	1.7
301.07047	100.0
302.07443	5.1
328.06888	0.3
336.95166	0.3
463.07852	1.1
463.12396	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
57.03427	0.3
61.02921	0.3
62.78145	0.2
66.92821	0.2
68.99799	0.5
69.03429	1.0
71.01347	0.3
71.71480	0.2
73.02890	0.5
81.03407	0.3
84.02084	0.2
85.02901	2.5
91.05449	0.9
97.02872	0.7
99.00782	0.3
99.04433	0.2
101.02292	0.2
107.04952	0.5
107.19064	0.2
109.02869	0.3
112.01566	0.6
113.02361	0.4
119.04912	0.7
121.02869	0.5
123.00772	0.2
127.03879	0.5
135.04372	0.4
137.02365	0.3
139.00267	0.4
140.01047	0.9
145.03938	0.3
145.04970	0.3
153.01820	12.4
154.02139	0.3
168.00537	7.7
169.01303	0.9
183.02888	8.0
186.01575	2.7
192.04248	0.2
241.04918	0.9
250.41498	0.2
258.05237	1.8
268.03705	1.0
269.04523	1.4
285.03989	0.8
286.04703	23.7
287.05484	57.7
288.05795	2.8
297.03876	0.4
301.07053	100.0
302.07388	4.5
311.05334	0.4
383.76553	0.2
463.07516	1.4
463.97202	0.2
470.65814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
52.89557	0.2
61.56693	0.2
64.52948	0.2
69.03383	0.2
69.76913	0.6
71.01328	0.4
73.02892	0.5
80.78725	0.2
85.02898	1.0
91.05418	0.3
98.22737	0.4
99.00723	0.2
100.11184	0.4
113.02312	0.5
119.04930	1.6
120.05707	0.3
120.08114	0.2
121.02863	1.1
123.00780	1.6
127.00143	0.2
134.34012	0.2
135.04419	0.3
138.07150	0.2
141.01779	0.4
147.04393	0.5
153.01764	0.8
157.06415	0.2
160.05038	0.4
168.00558	1.5
169.01299	1.1
176.90483	0.2
186.01538	0.8
195.04361	1.3
213.05449	0.4
234.05173	0.4
240.04111	0.4
241.04912	0.5
257.04337	0.5
258.05170	0.5
268.03735	0.4
269.04382	0.9
285.03903	0.7
286.04688	67.9
287.05457	55.4
288.05771	2.6
300.02444	0.5
301.07034	100.0
302.07346	3.5
418.22629	0.2
463.13272	2.7
463.17789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27747	0.6
56.02622	0.7
61.81585	0.5
62.43193	0.5
64.48352	0.6
68.99777	0.6
69.77597	1.2
69.77954	1.4
72.43898	0.6
77.87398	0.5
79.05479	0.7
84.19970	0.8
85.02901	1.8
86.01543	0.6
91.05488	0.7
98.23452	0.7
98.43869	0.5
99.00793	0.6
99.04454	0.7
103.05475	5.6
112.01560	1.9
113.02396	0.9
125.55086	0.6
131.04922	10.8
140.01050	2.3
145.06464	0.6
168.00539	30.7
169.00940	0.8
173.06015	0.9
180.16965	0.6
183.02888	100.0
184.03230	1.8
186.01593	15.6
195.02901	1.6
198.01506	0.6
201.03897	1.6
205.25636	0.6
225.03871	1.1
245.08243	0.8
249.04179	0.8
257.60934	0.5
270.05222	1.2
271.05554	1.8
272.05963	2.5
285.07639	2.1
286.07855	2.2
287.09125	99.3
288.09479	2.8
299.09192	1.1
365.10251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47205	0.4
69.03385	0.5
73.02903	0.6
84.02087	0.9
85.02877	1.3
86.10907	0.4
91.05473	1.0
98.22735	1.4
99.00826	0.7
103.05462	5.4
112.01579	2.4
113.02333	0.7
119.69680	0.4
127.00272	0.9
131.04918	9.9
132.73579	0.4
135.46153	0.5
139.11839	0.4
140.01042	2.4
149.02347	0.5
168.00539	32.4
169.01025	0.7
173.05989	1.0
180.76215	0.5
181.04916	0.6
183.02884	91.5
184.03210	1.6
186.01596	13.8
195.02911	1.1
201.03932	1.2
245.08041	1.3
261.04004	1.2
270.05154	1.3
271.05597	1.0
272.05804	2.1
283.02072	0.5
285.07599	1.8
286.07974	1.4
287.09109	100.0
288.09445	4.4
299.09094	1.9
353.10181	1.0
365.10132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.1
55.01878	1.0
67.05479	1.6
68.99784	4.2
69.03403	1.3
70.06589	1.2
70.70792	1.3
72.08140	1.1
73.02908	1.0
73.60400	0.7
79.05486	2.2
81.03407	2.6
81.07059	1.2
85.02899	3.2
86.09693	1.4
91.05477	3.2
93.07039	1.4
94.47459	0.7
95.01313	1.6
95.04960	2.4
96.94902	0.8
100.14600	0.8
103.05488	2.4
105.07014	1.8
107.08614	0.9
107.94041	0.7
109.06530	1.0
109.48960	0.7
111.04456	1.5
112.07763	0.8
112.08545	0.7
113.02316	1.0
115.05470	1.7
117.07020	3.4
119.04941	5.4
120.08105	1.0
121.02837	10.2
121.06512	0.9
123.00803	3.7
123.04379	1.4
128.06221	1.1
129.06961	1.5
133.02861	0.9
133.06480	1.4
135.04390	4.0
135.08009	1.3
137.02342	47.2
137.03438	4.2
145.06456	4.1
147.04388	3.3
149.02377	1.1
149.06001	2.4
151.03906	2.9
153.01768	1.0
157.06476	1.6
159.04457	0.8
161.02347	5.3
161.05937	1.3
163.03920	4.1
163.07571	1.1
169.01376	1.8
170.07065	1.4
171.02890	1.8
173.05969	6.8
175.03920	1.9
177.05429	1.6
179.03442	0.9
179.07072	1.6
189.09027	1.2
191.03484	1.6
191.07027	5.8
193.05000	3.6
199.07610	1.0
201.05453	9.8
203.03427	1.0
203.07057	1.1
205.06807	0.8
205.08661	2.7
207.06487	10.9
207.08296	1.4
209.04449	2.2
215.06847	0.9
217.08643	1.7
219.06497	5.7
227.07069	0.9
229.04964	2.8
235.06070	3.0
239.07080	1.0
241.04939	1.5
243.06693	0.9
245.04323	1.2
246.46211	0.8
251.09132	2.3
253.08707	0.9
254.05888	0.8
255.06487	4.3
257.04587	1.0
258.05170	1.0
267.06482	3.7
268.07236	2.2
269.04440	3.2
269.08142	3.1
271.05966	9.9
273.07660	2.9
275.84488	0.9
279.10187	1.2
281.08032	7.7
282.08881	3.5
283.06036	5.2
283.09677	6.5
286.04779	2.6
287.05487	100.0
288.05930	4.4
292.07318	2.9
293.08081	3.6
295.06253	1.7
295.09644	3.0
296.10425	1.5
297.07736	2.2
297.11243	8.6
298.08362	1.2
299.09167	1.8
301.06961	7.0
307.09564	10.4
308.10272	1.4
309.07590	6.4
309.10886	1.5
310.08182	1.9
311.05414	2.0
311.09161	7.5
313.06964	2.6
313.10474	1.5
321.07718	1.6
323.05417	2.9
323.09030	1.1
323.12799	1.9
325.07037	5.6
325.10773	7.7
326.07770	1.9
327.08588	2.9
329.06573	2.0
329.10144	0.9
335.09006	4.8
336.09698	0.9
337.07095	2.0
339.08640	6.2
339.12445	3.9
341.06491	1.0
341.10165	28.6
342.10367	1.2
343.08124	3.4
351.08575	1.9
353.10214	7.2
357.09720	3.6
359.11234	2.7
363.08646	2.5
367.11700	18.6
368.12399	1.9
369.09647	35.5
370.10086	1.2
371.11362	1.4
381.09659	39.7
382.09839	1.7
385.12881	2.8
387.10626	11.8
395.11472	5.6
399.14645	7.4
413.12292	30.2
414.12845	2.0
427.13858	19.3
428.14438	1.6
431.13266	4.0
445.14932	9.3
463.08319	3.8
463.21503	84.3
464.22296	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	463.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
57.03440	12.1
59.60679	1.7
61.02926	1.8
65.75943	1.9
69.03430	19.3
70.44192	1.7
71.01330	3.4
71.04996	57.6
73.02905	3.7
73.04760	2.0
75.04485	9.6
81.03414	2.6
83.04977	7.8
85.02905	100.0
86.03214	3.1
87.04497	1.9
91.05458	6.1
97.02894	8.2
99.04460	2.2
101.05986	2.2
105.07027	2.9
109.02895	2.4
111.04419	5.3
115.05471	2.9
119.04962	3.1
121.06538	3.4
121.68867	2.0
123.04385	4.4
127.03881	3.2
129.05481	34.5
131.04956	3.0
133.06520	3.7
136.58629	2.0
137.05981	29.0
147.04503	2.4
147.06523	21.8
149.05984	5.2
151.07593	10.7
155.07050	2.8
157.06491	3.2
161.06018	9.8
165.05453	4.7
167.06978	2.6
175.07518	3.7
179.07027	14.8
181.01332	2.2
187.07593	2.0
191.07114	2.3
199.07768	2.2
203.07028	7.6
216.05714	2.0
221.08061	6.8
235.02347	4.4
247.09616	11.0
263.09116	3.4
281.10150	3.5
287.05450	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	463.181
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
55.05504	2.3
57.03439	10.2
61.92299	1.4
69.03433	17.9
70.06596	2.2
70.55586	2.8
71.04989	44.0
73.02907	4.1
73.04747	2.9
74.82881	1.4
75.04479	9.5
75.16618	1.3
75.28983	1.4
81.03414	4.0
82.01665	1.3
82.78679	1.2
83.04976	7.8
85.02899	100.0
85.67270	1.4
86.09723	3.0
87.04472	1.6
91.05421	2.3
91.05849	3.2
97.02879	7.1
99.04416	1.5
103.34034	1.5
105.04572	1.5
105.07034	4.4
105.90971	1.3
109.02842	2.1
111.04435	4.2
119.04882	2.0
121.06594	2.1
127.03943	6.0
129.05467	33.5
133.06424	2.1
137.05980	32.2
145.04950	2.8
147.04453	2.6
147.06503	18.2
149.05994	6.5
150.94852	1.6
151.07524	9.0
155.07008	2.3
157.06526	2.5
160.04932	1.3
161.05971	6.7
165.05518	5.0
167.05670	2.5
167.07021	5.2
175.07539	2.6
179.07011	15.2
195.06534	2.0
203.07068	5.1
221.08067	5.7
245.08096	2.7
247.09602	7.7
263.09192	6.3
287.05502	16.2
309.11798	2.4
313.76422	1.6
360.03033	4.0
362.53918	1.5
436.25961	1.6
463.17670	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	463.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	9.7
67.05496	10.2
69.03424	31.2
69.07064	3.5
69.54585	1.4
79.05484	7.3
81.03416	21.2
81.07050	15.1
82.68613	1.4
83.04969	23.4
83.08598	3.2
85.06541	1.5
91.05472	10.1
93.07027	14.1
95.04951	6.1
95.08595	25.8
98.22601	3.4
103.05495	2.2
105.07018	19.1
107.04895	1.7
107.08593	12.9
109.06537	7.0
109.10162	7.0
111.04435	58.6
111.08044	1.6
113.05988	2.7
117.06987	9.9
119.08572	24.5
121.06497	7.1
121.10123	15.5
123.08064	3.4
128.06219	3.2
129.06992	5.0
131.08560	19.7
133.06407	2.0
133.10127	14.7
135.08034	4.2
135.11722	2.0
141.06982	4.8
142.07773	3.3
143.08557	16.4
145.06473	1.7
145.10106	37.0
147.08058	5.7
147.11664	6.7
149.09618	5.1
149.13225	1.7
154.07799	2.0
155.08553	9.2
156.09302	5.7
157.10112	15.6
159.08031	3.2
159.11682	27.0
161.05960	1.6
161.09660	3.7
161.13264	10.6
163.11148	3.4
165.06984	2.7
165.15221	1.7
167.08528	5.6
169.01326	1.7
169.10123	10.5
170.10953	2.8
171.08051	2.2
171.11629	12.2
172.12411	2.5
173.13235	7.4
175.11206	2.9
175.14763	5.2
177.12668	2.0
177.16362	13.2
179.08571	3.2
180.09346	3.1
181.10123	7.4
182.10837	4.8
183.11696	10.0
185.09633	2.8
185.13242	13.1
187.11197	6.9
187.14796	100.0
188.15173	2.9
189.12747	2.8
189.16365	3.4
193.10124	4.6
195.11644	11.1
196.12498	3.1
197.09610	2.5
197.13229	17.8
199.11104	2.0
199.14777	4.4
201.16315	2.4
203.14313	8.1
205.10245	2.0
205.15865	56.3
207.11736	3.3
208.12444	1.7
209.13284	9.2
211.11263	2.9
211.14841	9.0
213.12723	3.4
213.16345	3.3
215.14328	14.5
216.15027	2.0
219.11598	3.4
220.12447	2.3
221.13350	2.1
222.14085	1.9
223.11279	3.2
223.14789	5.4
225.16383	3.2
227.14296	3.7
229.15822	6.6
231.11786	1.9
233.13248	2.0
233.15387	3.1
235.14778	5.6
237.12727	2.5
237.16322	1.8
239.17792	1.7
241.19441	2.8
246.13892	1.6
251.17949	13.8
253.15829	5.6
255.13937	2.0
261.16364	2.6
267.17261	3.0
269.19049	13.1
273.14682	1.6
279.17432	21.2
280.17871	1.7
287.05472	33.8
287.08578	2.3
297.18466	37.9
298.18982	2.1
304.49173	1.5
315.19492	18.4
379.94363	1.7
400.95349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82973	1.0
61.38189	0.9
62.55810	0.9
62.97221	1.0
63.68316	0.9
66.81096	1.0
67.05496	2.0
79.05491	2.1
81.07050	2.2
83.81844	0.9
89.06025	3.9
91.05469	2.0
93.07037	3.7
95.08604	2.4
95.49936	1.1
101.43686	1.0
105.07012	7.0
107.08606	1.6
108.04258	1.1
119.04916	2.4
119.08564	2.1
121.06507	3.3
121.10165	1.3
123.00776	1.7
133.08575	1.8
134.91277	1.1
153.01837	1.4
159.06970	1.3
169.01291	1.6
171.11559	1.1
223.62036	1.1
287.05457	91.2
288.05878	7.1
297.08765	1.1
299.20102	2.2
301.07297	1.2
440.15637	1.1
445.29218	63.7
446.29440	3.7
463.08780	4.5
463.30307	100.0
464.30496	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	463.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
67.05499	2.9
69.07053	1.4
79.05504	2.5
81.07053	4.8
91.05470	2.0
93.07043	1.5
95.05009	1.2
95.08589	1.6
105.07037	2.2
107.08555	1.6
119.04894	0.8
119.08595	0.9
121.10159	1.0
133.10159	1.0
141.20680	0.7
147.04401	1.9
149.13315	1.0
159.11598	1.0
179.28658	0.7
188.70963	0.8
258.15103	0.7
287.05396	3.9
299.19803	0.8
445.29242	93.0
446.29556	6.9
463.30380	100.0
464.31030	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99086	0.4
67.05492	0.8
71.48967	0.5
79.05503	0.6
81.07066	1.0
87.29353	0.5
89.06027	0.5
89.60902	0.5
98.23470	1.6
105.07027	0.6
119.04984	0.5
123.00762	0.8
125.48677	0.5
147.97025	0.5
169.01340	0.8
189.40323	0.5
221.39055	0.5
241.05168	0.6
269.04385	0.8
287.05469	38.9
288.05792	2.9
333.98340	0.5
353.22940	21.0
354.23358	1.3
463.08640	2.0
463.33984	100.0
464.34384	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	464.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.7
58.99574	5.0
59.01359	1.9
67.05490	1.6
68.49654	1.5
69.83403	4.7
74.99065	18.5
75.04459	6.5
85.02908	4.4
87.99854	2.0
89.00612	9.6
90.96740	2.5
94.96253	2.9
98.23404	2.1
99.04468	3.9
101.06009	11.4
105.05486	2.6
107.01655	22.3
113.02370	13.5
115.99287	1.7
117.00079	17.3
118.00845	14.9
118.96227	6.1
121.03191	5.0
124.03964	1.6
132.02432	2.1
132.97751	2.6
133.04961	25.2
135.01031	2.0
144.94162	2.1
145.04984	3.4
145.99411	1.1
146.00313	52.9
149.02669	49.3
159.06522	89.4
160.07233	6.1
160.97229	2.6
164.90788	1.5
176.96768	6.3
177.02138	22.4
178.98228	1.6
181.47398	1.4
181.60483	1.5
191.03722	16.2
192.99829	4.5
199.06003	5.1
199.08047	1.5
205.01645	47.1
209.94693	5.9
224.01709	4.5
227.05502	2.5
259.08105	7.9
288.05640	2.1
294.97546	1.7
322.97031	8.6
340.98169	3.6
350.96652	2.1
354.99692	19.9
382.99197	100.0
383.99426	3.6
401.00171	3.5
438.47763	1.6
440.57562	1.5
453.80951	1.5
485.88821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01859	2.5
55.05510	1.0
56.38047	0.9
57.03428	3.6
57.80391	0.9
61.02931	7.9
69.03430	16.7
69.42216	4.2
70.06577	3.8
71.04981	1.9
71.24298	0.9
72.08150	2.3
73.02906	4.1
78.96513	0.9
79.05501	1.8
81.03416	8.8
81.07057	1.2
84.04506	3.0
84.08126	2.6
85.02901	100.0
86.04552	0.9
86.09695	3.4
87.04473	1.9
91.03941	5.3
91.05439	2.1
95.04962	3.1
97.02888	26.7
99.04448	5.6
105.03387	9.2
105.07036	7.0
107.08574	1.3
109.02868	9.8
120.08089	5.7
121.02864	1.3
123.04433	1.5
127.03913	27.4
129.07011	1.4
129.10229	2.5
145.04947	54.6
146.05257	1.1
147.04390	1.1
147.08006	1.0
147.11679	1.3
163.03923	1.1
163.06007	22.8
163.07312	1.8
181.11961	0.9
193.12206	1.8
216.12839	1.2
231.10216	1.5
243.08803	4.3
244.09544	1.5
267.08701	5.1
267.15833	1.7
274.22873	1.0
274.29599	1.0
284.18600	2.3
285.13297	2.4
287.05286	1.3
288.06049	1.2
302.19632	4.2
303.04971	2.5
303.12079	1.3
324.18652	1.1
368.21707	2.3
378.14853	1.7
420.19247	8.8
464.18076	7.1
464.24741	3.6
465.20813	1.1
465.26926	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	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.83764	0.5
55.01873	1.8
57.03437	3.9
61.02920	8.2
66.81007	0.5
68.99796	1.4
69.03064	1.0
69.03429	16.5
70.06586	1.3
71.01366	1.0
71.03081	0.5
71.05000	1.9
73.02908	4.0
79.05485	0.9
81.03417	7.4
85.02902	100.0
86.03220	1.0
87.04465	2.5
87.25733	0.6
89.75826	0.5
91.03957	5.9
91.05460	0.6
93.07052	1.1
95.01342	1.0
95.04980	0.8
96.04499	1.2
97.02890	23.2
98.97627	0.5
99.04450	4.1
101.02415	0.6
101.21035	0.5
103.05470	3.1
105.07013	3.6
107.04942	3.7
109.02875	8.8
115.03944	0.8
117.07024	0.6
119.08629	0.6
121.02935	0.8
122.06104	0.6
123.00800	1.8
126.01046	1.3
127.03912	27.1
128.00734	0.7
131.04929	10.2
135.04404	2.1
135.07968	0.6
139.00294	0.8
140.03392	0.9
141.01781	1.3
145.04953	51.0
146.05188	0.6
147.08023	0.8
150.05486	0.7
151.00227	0.9
151.03964	1.7
153.01823	24.8
153.03079	1.2
160.03062	0.6
163.03925	1.2
163.06027	22.4
163.07529	5.7
168.02917	5.4
169.01318	27.3
170.01703	0.7
180.08701	0.8
185.00909	0.8
201.09315	0.6
229.86031	0.6
231.10219	0.6
267.12234	1.1
271.06021	2.0
285.13351	1.6
287.05490	3.9
288.05865	7.9
288.08688	1.8
289.06964	9.9
301.03592	0.6
302.03778	1.6
302.07254	0.8
303.04968	95.9
320.11172	0.6
325.11325	1.4
359.01120	0.6
384.00919	1.0
465.10413	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23775	3.0
55.01870	3.4
56.57656	3.1
57.03427	11.4
60.03966	3.1
61.02905	4.0
68.99782	2.9
69.03421	14.2
69.97038	6.5
69.97403	5.9
70.06603	2.7
71.04984	41.5
75.04474	8.4
81.03416	10.6
83.04974	10.3
85.02899	100.0
87.04483	3.1
91.05877	4.8
93.07037	5.0
95.04959	2.9
97.02888	15.7
98.51381	2.4
99.04456	3.0
99.64509	2.7
100.07613	12.0
109.02872	7.1
111.04461	3.3
112.03958	3.5
119.05003	3.8
120.04478	4.1
121.02882	8.1
121.06506	9.7
123.04444	4.3
124.03952	4.7
127.03877	15.2
129.05489	27.1
135.04425	5.1
137.05956	6.7
139.98999	13.4
145.04976	14.1
145.06500	3.8
147.04356	5.7
147.06511	17.6
151.03918	8.6
152.05673	19.2
153.01913	8.3
153.05559	3.3
158.00076	4.7
163.03923	15.5
163.05986	4.0
169.01289	15.3
181.04939	4.8
181.08640	8.0
185.09554	2.7
187.07526	3.4
199.09863	2.9
204.04741	4.4
205.08643	4.5
216.10092	4.9
221.11636	4.6
249.11259	4.0
267.12326	5.7
279.07928	9.7
285.13107	4.3
287.05615	8.4
288.05789	14.8
289.07043	11.7
289.10999	2.8
300.06039	6.4
302.04370	4.0
303.04974	9.6
361.02283	3.9
378.14777	5.9
401.60760	3.5
431.08652	3.6
464.10477	3.0
464.17545	4.7
465.21283	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2174
Annotation	Sclerotiamide
Peak:m/z	Relative Intensity
55.01854	0.9
56.05032	40.7
60.04513	5.1
61.01146	23.3
63.89658	0.9
69.03438	2.4
69.07058	9.5
69.70149	3.0
70.02937	2.4
70.06590	3.7
74.02434	4.8
74.06075	2.5
74.71213	1.0
76.83897	0.9
81.03394	2.8
81.44334	1.0
84.08145	5.0
85.02894	2.6
86.09699	90.8
87.00824	1.5
87.05587	23.4
88.03999	2.3
91.05782	3.6
97.02882	2.1
98.06053	2.8
104.05318	100.0
104.52631	1.0
105.01881	1.6
116.03443	3.5
120.08087	1.7
124.03926	1.3
126.40330	1.0
127.03884	1.9
129.10233	3.6
133.06078	70.2
139.03893	6.2
143.08147	40.6
143.09291	1.7
145.04944	1.8
151.03903	4.8
153.06549	1.2
155.11707	1.3
163.03818	1.5
167.03459	1.6
168.02950	2.4
173.07401	1.4
173.12813	8.4
183.11259	5.4
191.08487	15.6
199.05948	1.3
201.06931	2.3
201.12300	14.3
216.09808	1.6
219.07990	11.5
244.25438	0.9
247.07494	5.9
256.28967	1.1
264.10123	42.3
265.10251	1.2
269.13162	1.9
270.99332	0.9
302.19714	1.1
303.04959	4.2
314.15253	14.0
332.16211	1.1
334.10806	1.4
351.13254	12.0
361.02344	1.3
376.06891	1.0
447.19275	1.2
464.21356	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	464.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
65.03930	0.4
67.05493	2.4
69.03411	0.7
69.07063	1.6
71.43585	0.6
79.05495	3.0
81.03447	2.1
81.07057	3.7
83.04968	0.7
83.08623	0.7
84.04534	0.7
85.02897	0.6
91.05479	3.5
93.07043	4.3
95.04958	3.9
95.08602	4.3
97.02910	0.9
97.06531	0.6
105.07031	10.4
107.04943	1.5
107.08596	3.2
109.06504	2.4
109.10136	1.1
111.04441	0.5
111.08053	0.5
117.07001	1.9
119.08585	19.2
120.08898	0.6
121.06490	2.0
121.10144	3.0
122.10346	0.5
123.08081	0.8
126.05510	1.2
129.06989	1.3
131.08574	2.9
133.06487	3.6
133.10104	4.9
135.08037	2.6
137.05977	2.0
137.09599	0.5
139.03905	0.6
141.06998	1.0
142.07750	1.6
143.08554	4.0
144.09293	0.6
145.06483	0.6
145.10095	4.0
147.08051	1.1
147.11679	19.8
148.12018	1.1
149.09683	0.4
151.07564	0.5
153.05446	1.3
153.06851	0.5
153.92012	0.4
154.07732	0.6
155.08557	4.3
156.09334	2.3
157.10124	6.1
159.08069	1.4
159.11696	3.8
161.09573	0.7
161.13255	0.6
165.05463	1.7
167.08585	1.4
168.06499	0.6
168.09261	1.0
169.10107	7.6
170.10880	1.5
171.08014	0.5
171.11688	5.2
173.09641	0.8
173.13264	1.5
173.93065	0.4
174.14001	0.4
175.11182	1.3
175.14929	0.5
179.07004	1.1
179.08463	1.0
181.10115	2.7
182.10895	1.6
183.11693	8.2
184.12369	0.8
185.09712	1.0
185.13266	1.9
187.11130	1.0
187.14792	0.6
189.09058	0.9
189.12759	0.8
191.07074	2.3
192.09415	0.5
193.08597	1.1
193.10165	1.3
194.10902	1.5
195.11661	3.7
196.12450	3.1
197.09627	1.7
197.13290	2.9
199.11267	0.9
199.14761	2.9
201.09085	1.7
201.12733	0.6
201.16327	0.7
203.14383	0.8
205.10199	0.7
206.10934	0.6
207.11751	2.2
208.12457	0.9
209.09688	0.6
209.13260	3.8
210.10509	0.5
210.14046	1.7
211.11232	2.6
211.14798	8.6
212.15196	0.7
213.12636	0.8
215.10693	1.8
215.14391	0.5
217.12239	0.5
217.15738	0.5
219.59840	0.5
220.12523	1.8
221.13271	1.3
222.13962	0.5
223.14801	1.1
224.11896	0.8
225.12694	1.7
225.16345	7.1
227.14217	0.5
229.12251	0.5
229.15935	0.7
231.10092	1.7
234.14175	0.7
235.14807	4.8
237.12695	0.5
237.16455	0.7
238.13504	0.8
239.14253	0.8
241.12347	0.8
249.16457	1.8
253.12172	0.9
253.13037	0.8
253.15878	8.9
255.13783	1.7
267.13785	1.0
267.17477	3.6
269.15305	1.1
269.19141	0.5
270.16177	0.9
271.16943	8.3
272.17300	0.5
277.15958	1.0
285.18411	2.0
288.05884	0.7
295.16928	5.5
313.17966	100.0
314.18271	4.9
315.19250	0.9
316.19949	1.5
429.22797	0.7
464.26364	13.3
464.32935	0.7
465.26413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.8
57.80864	0.6
60.11706	0.5
65.69894	0.5
67.05491	2.5
69.03387	0.6
69.07058	1.7
69.12474	4.2
79.05465	3.3
81.03413	1.8
81.07047	4.3
83.08606	0.6
84.04490	1.4
85.06522	1.0
90.93233	0.5
91.05474	4.2
92.82948	0.6
93.07024	3.4
95.04964	3.8
95.08593	3.7
97.02882	1.2
100.88113	0.6
105.07031	9.7
107.04952	1.2
107.08589	3.4
109.06520	2.7
109.10194	1.1
117.06992	0.9
119.08574	17.6
121.06489	2.2
121.10122	4.1
123.04401	0.5
123.08043	0.8
126.05504	1.4
128.06190	1.1
129.06973	1.3
131.08545	3.4
133.06485	3.3
133.10127	4.6
135.08031	1.5
137.05986	1.8
138.05498	0.8
139.03879	0.7
141.06947	1.2
142.07745	1.8
143.08583	4.2
144.09349	0.6
145.10161	3.6
147.08049	1.4
147.11682	16.4
148.12033	0.6
149.09616	0.6
154.07738	0.8
155.08533	4.2
156.09279	1.5
157.10123	5.8
158.10764	0.8
159.08031	1.2
159.11594	3.1
161.06029	0.5
161.09605	0.8
163.07489	0.8
164.47423	0.5
165.05463	1.1
167.08565	1.0
168.09390	1.1
169.10127	8.9
170.10883	2.3
171.08078	0.8
171.11681	5.4
173.09605	1.3
173.13208	1.7
175.11209	1.6
179.07047	1.1
179.08546	1.5
180.09360	0.6
181.10092	2.5
182.10907	2.2
183.11687	7.0
184.12381	1.3
185.09599	0.8
185.13199	2.5
187.11206	1.4
187.14838	0.9
188.15549	0.6
189.09056	0.8
191.07002	2.4
193.08604	0.7
193.10176	1.6
194.10846	0.7
195.11723	4.2
196.12454	3.2
197.09647	1.9
197.13243	2.4
199.11171	1.1
199.14792	2.6
200.15178	0.7
201.09117	2.1
201.12692	1.0
203.14342	1.0
207.11664	2.3
208.12431	0.6
209.13258	3.2
210.14032	2.1
211.11205	1.6
211.14815	7.6
212.15291	0.7
213.12593	0.8
213.16324	0.8
215.10640	1.6
215.14296	1.2
219.06577	0.7
220.12488	2.0
221.13161	1.4
223.14868	1.5
225.12675	1.4
225.16333	6.1
227.14162	0.7
229.12167	0.7
231.10197	0.8
234.13867	0.8
235.14799	2.8
238.13405	0.7
239.14272	1.4
241.12181	0.7
249.16312	2.0
253.15851	8.6
255.13789	1.5
267.13995	1.1
267.17477	3.6
269.15527	0.8
269.18997	1.0
270.16107	0.8
271.16907	8.8
285.18552	2.3
288.05838	0.7
295.16861	5.8
313.17947	100.0
314.18283	5.2
315.19608	0.9
316.19913	2.2
461.07532	0.6
464.26355	14.5
465.26938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.3
57.07064	1.7
67.05190	1.4
67.05507	10.3
68.41621	1.0
69.07067	5.9
70.71117	1.0
70.71436	1.3
71.04985	1.7
79.05501	4.0
81.07058	15.0
83.04983	1.6
83.08620	1.6
83.15208	0.8
85.06522	1.1
87.18929	0.9
91.05475	8.0
93.07028	9.1
95.04962	1.1
95.08602	22.7
97.06560	1.0
105.07024	18.1
107.04959	1.1
107.08584	11.1
108.35973	0.8
109.06508	2.0
109.10159	7.6
111.04433	6.5
116.06370	0.9
117.07013	2.7
119.08573	44.6
121.06491	1.1
121.10114	7.9
123.08098	1.0
123.11671	2.5
128.06206	1.3
129.07004	2.7
131.08566	9.0
133.10118	53.1
134.10457	1.5
135.08054	2.1
135.11690	3.7
141.06911	1.4
142.07768	2.6
143.08543	5.2
144.09308	1.2
145.10118	14.7
147.08029	1.5
147.11658	14.7
149.13246	1.1
155.08549	3.9
156.09344	2.9
157.10120	10.1
158.10840	1.1
159.11693	17.4
161.09607	1.1
161.13225	5.4
163.07555	0.9
165.09148	2.1
168.09293	1.9
169.10114	5.8
170.10927	3.4
171.11671	9.0
173.09631	1.6
173.13235	11.1
173.14557	1.1
175.14851	1.1
179.10760	2.1
181.10211	1.5
182.10933	1.4
183.11674	9.9
184.12418	2.0
185.13268	12.1
185.14774	1.5
186.14105	0.9
187.11214	4.3
187.14792	5.5
188.15565	0.9
188.53287	0.9
189.16400	4.5
191.10640	2.1
193.10141	0.9
193.12202	1.0
195.11705	3.0
196.12370	1.3
197.13223	14.1
198.13759	0.9
199.11124	1.7
199.14809	8.2
199.86205	0.9
201.16348	6.7
203.10762	2.0
205.12236	5.9
207.11661	2.1
209.13206	2.5
211.11217	1.3
211.14795	5.7
213.12776	1.4
213.16365	3.1
215.10710	1.4
217.12189	2.6
219.13884	1.0
224.15585	1.3
225.12793	2.3
225.16281	2.0
227.18025	1.0
229.12218	4.4
231.13788	1.8
237.16496	3.4
238.17145	1.2
239.14326	3.2
239.17868	9.2
243.13751	6.5
253.19524	17.1
254.19807	1.3
255.21082	2.8
257.15402	2.7
263.17673	1.2
271.20554	3.6
281.18945	10.5
299.20029	100.0
300.20374	6.5
317.21036	10.9
333.54083	1.1
359.22266	3.2
370.51035	1.1
464.29834	2.4
474.99484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47227	2.6
55.05507	9.5
57.07065	5.0
67.05495	11.0
69.07057	9.0
71.04996	5.2
71.08633	4.0
79.05492	11.0
81.07059	34.6
83.04980	6.5
85.10220	2.9
89.06035	9.7
91.05479	10.5
93.07030	27.6
95.04964	6.1
95.08591	24.0
97.06480	6.0
98.22717	7.9
105.07032	33.8
105.15308	3.7
107.08588	20.6
109.06505	5.5
109.10163	7.2
117.06985	3.3
119.08573	22.7
121.10146	16.1
123.11668	2.9
129.06972	4.3
131.08580	10.1
133.10103	15.7
135.08031	3.4
135.11681	11.2
143.08548	8.1
145.10118	15.6
147.11676	11.5
149.13217	4.9
153.09082	2.9
157.10185	6.0
159.11665	12.6
161.13254	13.3
171.11716	5.2
173.13257	8.3
175.11316	3.3
181.10321	3.3
187.14948	4.1
189.93459	3.3
199.14838	4.2
213.16408	3.8
229.19643	3.9
303.05051	4.3
385.29230	100.0
464.30551	29.1
465.30676	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	464.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07974	4.8
54.76774	4.3
55.05509	17.9
57.07072	33.4
57.82162	4.2
65.59302	4.5
67.05510	26.8
69.07071	21.3
70.39142	5.0
71.08630	31.3
75.33874	5.5
79.05501	19.1
81.07053	49.1
83.04980	100.0
83.08630	9.5
85.10180	19.0
87.05163	5.0
89.06041	51.9
91.05473	8.8
93.07044	34.4
95.04960	53.7
95.08600	49.4
97.10180	5.9
100.53448	5.3
105.07030	36.3
107.08584	49.2
109.06504	9.8
109.10136	30.6
116.36551	4.8
119.08580	30.4
121.10120	29.0
123.11726	12.9
133.08621	17.1
133.10143	17.5
135.11700	27.5
137.13261	5.7
145.10109	14.8
147.11650	18.2
149.13248	15.8
157.10130	8.2
159.11674	10.2
161.13249	10.9
162.90044	5.0
165.32799	4.8
171.11665	8.6
175.14888	6.8
177.16389	5.7
184.42012	6.1
184.54456	4.7
189.16422	9.4
201.16217	5.7
203.17967	11.0
226.64049	4.7
258.31897	5.3
287.05630	26.1
288.05765	47.9
289.06128	5.4
385.29233	75.1
464.34241	11.6
475.74078	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	465.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09812	0.5
54.95778	0.5
63.15923	0.4
63.87042	0.4
69.03412	0.7
69.53120	2.2
85.02894	2.2
89.03866	0.6
95.01363	0.8
97.29716	0.6
116.16151	0.4
117.03369	0.7
123.00767	5.2
135.04407	3.2
137.02304	1.3
147.04390	0.6
169.01315	3.7
174.55858	0.4
257.04391	0.7
285.03983	2.3
287.05539	1.1
288.05829	0.8
289.06750	2.7
301.81650	0.5
303.04965	100.0
304.05408	3.8
326.58746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Eriodictyol 7-glucuronide
Peak:m/z	Relative Intensity
57.03429	0.9
70.07664	1.8
71.01364	2.4
73.02912	2.8
83.01429	0.8
83.12287	0.8
85.02903	9.9
91.05470	2.5
95.01331	2.3
95.05000	1.4
97.02907	1.0
99.00778	1.0
104.14127	0.9
107.04955	3.7
113.02368	6.0
119.04952	7.3
121.06510	1.2
123.00800	2.6
123.04396	1.7
124.99298	0.8
131.03423	1.3
131.45728	0.9
141.01802	4.2
147.04401	25.0
159.02914	3.3
169.01318	83.2
170.01688	2.3
187.02388	5.7
189.05573	1.1
289.07043	100.0
290.07449	3.7
429.91623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide
Peak:m/z	Relative Intensity
57.03429	0.5
64.54922	0.5
68.99781	0.6
71.01349	1.5
80.91529	0.6
85.02895	3.1
86.41068	0.5
91.05479	3.1
95.01328	1.4
95.04946	1.0
98.22692	1.0
107.04948	2.4
113.02338	1.5
119.04944	9.7
123.00783	2.6
123.04406	2.3
123.79496	0.6
136.03661	0.6
141.01787	1.4
147.04399	34.2
151.00287	1.1
151.16458	0.7
153.01855	0.8
169.01317	98.5
170.01668	2.2
187.02406	2.6
189.05463	1.0
195.02852	1.1
224.96451	0.6
247.02441	0.5
250.88666	0.6
287.05371	1.0
288.05960	0.9
289.07040	100.0
290.07364	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	465.1028
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
55.01858	0.1
55.22648	0.1
56.62157	0.1
64.33888	0.1
64.66185	0.1
68.99792	0.2
69.03426	0.3
70.06580	0.2
71.16116	0.1
72.08141	0.3
81.03416	0.6
83.08575	0.2
84.08091	0.2
85.02880	0.6
86.09690	0.5
89.03910	0.3
90.31090	0.1
95.01310	0.5
95.04961	0.2
97.02877	0.4
98.22679	0.2
98.65276	0.1
105.07059	0.2
109.02891	0.1
116.94256	0.1
117.03368	0.2
117.53371	0.1
120.08102	0.6
123.00784	4.2
127.03910	0.2
129.10239	0.2
132.73988	0.1
135.04411	3.1
137.02330	0.9
141.01817	0.3
142.15643	0.1
147.04333	0.1
151.00233	0.3
153.01834	0.1
155.05002	0.2
161.02280	0.2
169.01312	2.8
173.06035	0.1
178.04597	0.1
183.04399	0.2
193.12271	0.5
200.80783	0.1
201.05539	0.2
211.03891	0.2
227.08452	0.2
229.04987	0.2
239.03400	0.2
257.04443	1.0
261.03928	0.4
267.15884	0.2
273.03940	0.3
285.03943	2.7
285.16827	0.3
286.04462	0.3
287.05505	2.5
302.04248	0.2
303.04962	100.0
304.05304	4.2
369.05701	0.2
381.06021	0.2
411.07141	0.3
465.10245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	AC1MML41
Peak:m/z	Relative Intensity
54.24196	0.9
57.03426	1.3
62.86885	1.0
68.99789	1.9
69.57868	4.4
70.06572	3.2
71.01358	2.4
72.08135	1.1
73.02916	3.4
78.96587	1.1
81.03424	1.5
81.92149	1.0
84.04465	1.6
84.08138	1.9
85.02904	15.4
86.09684	2.3
86.57877	0.9
88.73003	1.0
91.05473	2.6
95.01334	2.5
95.04960	1.7
95.06071	1.1
97.02877	2.2
98.22723	1.6
103.85833	1.0
107.04962	11.7
110.07167	1.0
111.04456	1.5
113.02351	4.2
119.04942	6.7
120.08112	1.3
121.02875	2.2
123.04434	1.8
127.03903	1.8
129.10252	1.3
129.62297	1.1
130.15863	1.8
131.03397	3.1
131.87407	1.0
139.03860	1.6
141.01791	3.9
141.06615	1.8
145.04956	1.7
146.05307	1.3
147.04405	23.1
147.05516	1.0
149.02332	15.2
151.03818	1.8
153.01811	18.5
159.02896	1.7
163.03894	2.9
164.04176	1.4
167.03403	2.3
169.01318	78.4
170.01691	2.2
181.01405	1.2
181.04958	2.4
187.02339	5.9
195.02881	2.8
197.05893	1.7
215.07042	14.1
219.02855	1.9
243.06503	10.9
271.05933	6.6
283.89767	1.2
285.16806	1.1
289.07040	100.0
290.07321	4.6
303.04947	6.0
332.40259	1.2
333.31616	1.2
465.19818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	AC1MML41
Peak:m/z	Relative Intensity
53.00293	0.2
55.01863	0.3
57.03429	1.1
59.45286	0.1
67.01850	0.2
68.99784	0.6
69.03406	0.4
69.63863	0.4
69.64230	0.2
71.01353	1.4
73.02917	1.6
77.09272	0.1
83.01305	0.2
85.02901	6.6
87.19672	0.1
91.05474	0.2
95.01323	2.0
97.02872	0.4
99.00803	0.5
101.02325	0.2
101.49973	0.1
103.03919	0.4
103.05489	0.6
106.48990	0.1
109.02882	0.1
113.02364	4.0
121.02899	0.1
123.00786	1.8
131.03383	1.4
131.04898	0.2
136.80893	0.1
141.01817	2.3
147.04402	1.0
151.00223	0.4
159.02887	1.5
169.01314	100.0
170.01648	1.6
171.01845	0.1
171.04358	0.3
181.01402	0.2
187.02367	0.7
193.01404	0.3
195.02858	0.3
197.06061	0.3
201.05498	0.1
211.02365	0.4
219.03049	0.1
225.05429	0.8
229.04803	0.2
235.02368	0.5
243.06531	0.3
244.86482	0.1
247.05986	1.0
253.04926	0.4
271.05997	6.5
272.06393	0.3
283.06113	0.2
287.05582	0.6
288.05893	0.7
289.07037	32.7
290.07364	1.1
303.04941	0.4
309.02362	0.2
327.03528	0.4
354.07251	0.2
428.38483	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	465.1029
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03951	0.1
54.13037	0.1
55.68026	0.1
57.03426	0.2
61.02895	0.1
61.92522	0.1
68.99757	0.2
69.03401	0.3
69.11888	0.6
79.05480	0.5
81.03377	0.1
85.02888	0.5
95.01325	0.2
95.04948	0.3
107.04945	5.9
113.02338	0.3
123.00764	0.4
135.04417	2.8
137.02371	0.6
141.01822	0.1
151.00336	0.1
153.76028	0.1
169.01309	34.0
170.01634	0.6
210.61224	0.1
257.04517	0.1
261.03912	0.3
286.70596	0.1
287.05554	0.2
289.06268	0.2
303.04953	100.0
304.05280	4.6
465.10254	6.5
466.10602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
54.95037	0.3
56.49475	0.3
61.02910	0.6
63.15350	0.3
68.99787	1.0
69.03433	1.8
69.27608	1.8
70.06580	1.5
76.61602	0.3
80.68208	0.3
81.03424	0.7
85.02905	4.2
91.03963	0.5
95.01345	0.4
97.02899	1.4
100.07581	0.4
105.07078	0.5
107.04955	2.9
109.02823	0.3
121.06466	0.4
123.00766	1.4
127.03909	1.1
131.04904	0.9
135.04437	0.9
137.02367	0.6
141.01817	0.7
145.04939	0.6
147.04390	0.7
151.00301	0.5
151.03897	1.4
169.01326	25.9
170.01657	0.5
177.25389	0.3
185.00824	1.1
197.19208	0.3
257.04471	0.5
271.05948	0.7
285.04071	0.8
289.06989	1.7
302.04242	0.5
303.04984	100.0
304.05273	3.6
313.03436	1.1
327.03244	0.4
345.05396	0.4
347.10471	0.4
465.10052	1.0
465.16992	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	6-Hydroxykaempferol 7-glucoside
Peak:m/z	Relative Intensity
52.31226	0.2
57.03427	0.5
61.02915	0.6
61.08694	0.3
67.01857	0.7
68.99791	0.9
69.03426	1.8
69.17641	2.0
69.65515	0.3
70.06587	0.4
71.01346	0.5
73.02908	0.3
79.05472	0.7
81.03426	0.5
82.93822	0.3
83.01331	0.4
83.51616	0.3
85.02909	3.9
95.01347	0.6
95.04942	0.4
97.02878	1.4
98.04440	0.3
105.07051	1.5
107.04953	5.7
111.88752	0.3
113.02361	0.6
123.00790	0.5
126.14928	0.3
127.03930	0.8
131.03352	0.3
131.04939	0.9
135.04387	2.6
137.02412	0.7
141.01848	0.9
141.93054	0.3
145.04991	0.5
153.01822	58.7
154.02144	1.0
156.68745	0.3
157.01294	0.6
163.03943	0.7
163.07599	0.3
169.01321	27.7
170.01672	0.6
178.13541	0.4
185.00856	0.4
187.03893	0.5
243.06479	0.5
271.06052	3.1
287.05380	0.8
288.05896	0.6
289.07034	20.1
290.07397	0.6
303.04974	100.0
304.05365	3.4
313.03424	0.7
366.77585	0.3
465.10083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	AC1MML41
Peak:m/z	Relative Intensity
53.00287	0.2
55.01855	0.3
57.03439	0.9
67.01842	0.2
68.99762	0.7
69.03398	0.3
69.36412	0.6
71.01353	1.3
73.02901	1.4
75.04463	0.2
82.15237	0.2
83.01324	0.2
85.02898	5.9
89.79637	0.2
91.05461	0.3
95.01327	2.5
97.02890	0.4
99.00788	0.5
101.02335	0.2
103.03906	0.3
103.05441	0.5
103.70063	0.2
107.45195	0.1
108.92805	0.2
113.01564	0.2
113.02362	3.5
123.00813	1.7
131.03404	1.1
131.04901	0.2
141.01823	1.6
144.68587	0.2
147.04378	0.7
151.00238	0.4
152.26250	0.2
159.02911	1.5
169.01312	100.0
170.01631	2.0
171.04314	0.5
181.01227	0.2
187.02397	0.8
195.02881	0.5
197.05959	0.6
211.02292	0.3
225.05482	0.6
232.44792	0.2
235.02368	0.4
243.06400	0.2
247.05971	1.2
251.54089	0.2
253.04996	0.5
271.05981	6.8
272.06323	0.2
280.07346	0.2
287.05563	1.0
288.05869	0.7
289.07037	29.7
290.07382	1.2
303.05054	0.2
327.03415	0.5
351.20377	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	465.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12126	0.2
58.90746	0.3
59.04969	0.4
69.27707	1.3
85.02888	0.3
89.05982	0.4
99.10150	0.2
103.45712	0.2
104.41892	0.2
105.67371	0.2
126.99990	0.6
127.01504	0.3
130.97517	0.2
143.90814	0.2
167.03116	0.6
169.01070	0.3
176.04396	0.5
179.10725	0.2
185.04102	0.7
196.83763	0.2
201.05145	1.6
216.05437	0.4
216.07564	11.8
217.08327	12.5
218.08748	0.4
227.05243	1.9
231.21303	0.3
257.04498	0.6
271.04202	3.7
285.03882	0.6
291.08139	0.3
303.04953	0.6
361.12601	0.4
379.13580	5.8
403.13547	0.9
421.14651	41.1
422.15060	2.6
465.13635	100.0
466.13950	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	465.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52523	0.8
60.25888	0.9
68.24885	0.9
68.99781	1.7
70.06593	84.7
71.40676	1.5
74.53304	0.9
84.08165	2.2
85.02917	1.6
90.82973	0.9
95.04981	1.1
95.06089	1.7
103.05454	0.9
105.07068	1.0
112.08730	54.4
131.04915	1.3
131.44525	0.9
134.02399	1.6
149.12039	1.1
166.05046	1.3
167.03221	0.9
169.01305	6.1
185.00760	1.9
195.16057	6.2
198.07669	1.0
201.05217	4.7
216.07535	25.2
217.08359	15.5
227.05354	2.6
232.06137	2.8
240.09827	1.2
241.10156	1.0
268.11389	0.9
271.04254	3.7
288.05771	1.3
289.06754	3.1
300.11932	5.4
301.12247	5.1
303.05017	7.8
336.12363	7.3
341.14996	1.0
354.13596	2.4
359.04474	1.3
379.13547	5.9
403.07303	1.2
403.13687	1.3
421.14694	49.6
422.15128	3.3
447.19846	4.2
465.13742	100.0
465.20773	9.7
466.14017	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	465.1372
Annotation	Keyakinol
Peak:m/z	Relative Intensity
53.71249	0.4
57.10732	0.4
68.99803	0.5
69.03427	0.5
69.18790	2.4
72.08164	0.9
73.02908	0.5
82.00323	0.6
85.02919	1.3
86.09698	0.7
97.02856	0.6
98.22649	0.6
114.52164	0.5
119.04914	1.4
120.08118	0.7
128.27406	0.5
133.69225	0.5
138.05478	0.5
140.04448	3.3
141.52068	0.4
147.04425	2.1
163.03967	0.7
169.01318	5.8
185.04198	0.7
205.59859	0.5
241.06960	1.1
246.04994	6.9
257.04388	0.8
259.05835	0.5
269.04587	0.5
285.03970	1.6
286.04846	0.6
287.05511	6.7
288.05817	5.8
289.06192	13.3
300.19647	0.5
303.04977	7.0
321.09460	1.4
345.30884	0.5
367.79074	0.5
403.13638	10.8
405.11710	2.7
420.18063	0.5
434.11694	1.1
447.12735	1.5
465.13690	100.0
466.14151	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	465.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.8
61.02905	0.5
65.03938	2.0
65.04271	0.5
67.05473	0.7
69.03426	2.0
69.45246	2.6
70.06585	1.9
72.08170	1.0
81.03424	2.6
84.08140	2.3
85.02895	2.2
86.09717	1.2
93.03395	2.1
95.04986	1.2
97.02872	1.2
98.97635	0.6
99.04414	0.9
104.05293	0.7
108.02090	1.0
109.02869	1.7
111.04424	4.8
120.08072	1.0
125.05983	3.2
127.03914	0.7
129.10222	0.8
133.06110	0.5
141.05487	1.7
147.04413	1.2
151.03902	100.0
151.04973	6.2
152.04300	1.6
167.03488	0.7
169.04956	9.7
241.22710	0.5
295.07919	3.5
303.05042	6.3
313.09103	5.6
465.14297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85883	0.9
56.05021	1.1
60.90842	0.9
65.03946	2.0
67.05492	1.6
69.03426	2.2
70.06588	2.5
71.42803	1.7
72.08141	1.8
73.02935	1.1
81.03421	3.7
84.08138	5.2
85.02895	4.9
86.09714	2.8
87.04491	1.2
87.09112	0.9
93.03426	1.8
95.04398	1.0
95.04958	1.6
97.02914	1.7
99.04469	1.1
100.43581	1.2
104.05339	1.8
108.02093	2.0
109.02869	2.2
110.07165	1.1
111.04426	4.2
120.02122	1.3
125.06014	3.1
127.03946	2.4
129.10275	1.1
141.05528	1.8
143.08176	1.2
145.05057	1.2
147.04431	1.7
149.02304	2.0
151.03903	100.0
151.04970	7.2
152.04268	2.1
153.01895	2.1
168.03009	1.4
169.01350	2.1
169.04953	8.2
200.86916	1.0
215.07037	1.6
219.03075	1.7
243.06453	2.3
260.45993	0.9
271.05969	1.1
286.28763	1.4
289.06982	3.1
295.08118	4.1
303.04999	2.7
313.09238	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42036	0.7
56.80001	0.7
64.49555	0.6
65.03931	3.8
67.05493	2.4
69.03419	2.8
70.82787	1.1
79.38412	0.6
80.50570	0.7
81.03424	4.0
82.04187	2.4
83.53265	0.7
84.96405	0.7
85.02908	7.0
93.03416	1.2
95.04958	2.4
97.02878	1.5
97.06516	1.0
99.04456	0.7
100.07611	2.0
103.88999	0.6
108.02112	1.5
108.04477	0.6
109.02856	1.9
110.03687	1.3
111.04433	1.8
114.63419	0.6
121.02899	1.0
123.04439	1.0
124.03887	0.8
125.06011	1.6
127.03935	2.1
135.05551	0.7
138.03101	0.9
139.98952	0.9
140.04675	6.2
141.06630	0.7
141.67699	0.7
141.98662	0.8
142.02664	0.8
151.03906	3.4
151.04922	0.7
153.01833	1.5
153.05501	3.3
155.07019	2.2
157.99925	0.9
169.01337	2.9
171.06523	4.8
181.04955	100.0
181.08517	2.3
182.05327	2.7
182.08916	1.7
199.05949	3.6
200.10023	1.2
204.04761	1.8
219.61388	0.7
279.08017	3.8
289.06494	0.8
303.04965	8.3
325.09152	3.7
343.10110	3.7
378.14804	1.1
394.72467	0.7
402.17557	0.7
465.20047	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	465.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01855	1.0
55.05509	1.7
59.92706	0.6
67.05510	3.4
69.03426	5.3
69.07062	2.0
69.47518	2.7
71.04947	0.8
76.97959	2.8
79.05484	3.0
81.03411	12.9
81.07051	3.5
83.04975	2.4
91.05470	4.2
93.07047	3.8
95.04955	2.5
95.08604	3.2
97.02898	0.7
98.22751	1.3
105.07011	6.7
107.04945	2.0
107.08596	3.7
109.02862	1.5
109.06496	1.7
109.10127	1.3
111.04445	2.7
111.11682	1.2
115.05397	0.7
117.07012	2.3
118.51223	0.6
119.02652	1.4
119.08562	6.3
121.02853	1.7
121.06498	2.2
121.10133	2.2
125.09644	0.9
128.06209	1.1
129.06964	3.0
129.12703	0.8
130.07767	1.1
131.08569	4.7
133.06511	2.5
133.10129	2.9
135.08031	0.9
141.06947	1.1
142.07797	1.9
143.08510	4.1
145.06483	1.0
145.10118	7.7
147.04419	0.6
147.08058	2.6
147.11655	4.0
148.67284	0.5
149.09570	0.9
155.08517	2.3
156.09329	1.0
157.10133	5.5
159.07983	1.7
159.11707	5.6
161.05995	0.7
161.09605	1.8
161.13257	2.0
163.11172	4.0
165.06915	0.8
167.08592	1.3
168.09326	1.7
169.01289	0.7
169.10126	2.1
170.07172	0.7
170.10837	0.9
171.08124	1.1
171.11681	1.6
173.09628	3.6
173.13268	0.7
179.08562	1.1
181.10152	1.8
182.10724	0.8
183.08176	0.7
183.11685	5.4
185.09648	1.0
185.13228	0.7
187.11200	2.2
189.09190	0.7
193.10054	1.7
194.10886	1.4
195.11684	1.5
199.11270	0.9
199.14890	0.7
207.11659	1.6
209.13269	2.5
211.11119	0.8
219.11479	0.8
221.10756	1.2
227.14311	1.6
229.12160	0.8
237.10457	1.4
237.12627	1.4
239.11946	1.9
247.08992	0.9
255.11366	1.8
255.13858	4.1
257.61206	0.8
265.09787	1.0
273.14728	3.3
283.10947	2.0
287.05524	1.3
289.06424	1.8
311.11942	0.7
311.16449	1.9
323.16058	1.2
347.14078	2.8
351.15512	3.1
365.15076	18.2
366.15387	1.5
369.16727	3.9
387.13303	100.0
388.13684	4.3
405.14276	1.3
429.18863	20.6
429.24829	1.1
430.19330	1.4
447.15427	1.1
465.16492	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	465.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99205	0.3
68.05025	0.6
68.99792	8.0
70.06593	100.0
70.48019	0.5
71.06925	1.2
79.05509	0.4
83.08611	0.3
84.08154	1.8
85.02915	0.8
86.99184	0.2
91.05464	0.7
95.06087	1.1
96.04507	0.4
97.02862	0.5
100.11263	0.3
103.05466	0.4
105.07033	2.2
107.04978	0.9
107.08591	0.3
111.04436	0.4
111.05564	0.4
112.03952	0.4
112.08731	59.7
113.02328	0.3
113.09058	0.5
114.06712	0.3
115.41679	0.3
119.04952	0.4
119.06234	0.3
123.00912	0.3
128.07101	0.4
130.09825	0.3
131.04916	0.6
135.04407	0.6
136.11223	0.9
139.00291	1.7
166.99754	1.4
168.00519	1.0
168.13924	0.4
169.01334	7.7
170.00993	0.4
182.15358	0.6
183.02849	0.5
185.00826	10.0
186.01505	0.6
195.16054	25.4
196.13390	0.5
196.16292	0.7
200.09013	0.3
204.15024	0.3
210.14920	0.4
225.05498	0.4
232.06029	2.1
241.04869	0.4
243.06268	1.1
253.95148	0.3
269.04407	0.3
271.06018	5.9
286.04654	2.2
287.05237	2.5
288.05435	4.4
289.06580	3.9
293.07477	0.4
301.07059	5.9
302.07385	6.0
303.04825	14.9
303.07666	9.0
304.05276	0.9
304.08301	0.4
336.12277	4.2
342.74167	0.3
354.13220	1.0
422.29822	0.7
447.19800	0.4
454.34256	0.3
465.10620	0.6
465.21521	4.3
466.09869	0.3
466.21243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99205	0.3
68.05025	0.6
68.99792	8.0
70.06593	100.0
70.48019	0.5
71.06925	1.2
79.05509	0.4
83.08611	0.3
84.08154	1.8
85.02915	0.8
86.99184	0.2
91.05464	0.7
95.06087	1.1
96.04507	0.4
97.02862	0.5
100.11263	0.3
103.05466	0.4
105.07033	2.2
107.04978	0.9
107.08591	0.3
111.04436	0.4
111.05564	0.4
112.03952	0.4
112.08731	59.7
113.02328	0.3
113.09058	0.5
114.06712	0.3
115.41679	0.3
119.04952	0.4
119.06234	0.3
123.00912	0.3
128.07101	0.4
130.09825	0.3
131.04916	0.6
135.04407	0.6
136.11223	0.9
139.00291	1.7
166.99754	1.4
168.00519	1.0
168.13924	0.4
169.01334	7.7
170.00993	0.4
182.15358	0.6
183.02849	0.5
185.00826	10.0
186.01505	0.6
195.16054	25.4
196.13390	0.5
196.16292	0.7
200.09013	0.3
204.15024	0.3
210.14920	0.4
225.05498	0.4
232.06029	2.1
241.04869	0.4
243.06268	1.1
253.95148	0.3
269.04407	0.3
271.06018	5.9
286.04654	2.2
287.05237	2.5
288.05435	4.4
289.06580	3.9
293.07477	0.4
301.07059	5.9
302.07385	6.0
303.04825	14.9
303.07666	9.0
304.05276	0.9
304.08301	0.4
336.12277	4.2
342.74167	0.3
354.13220	1.0
422.29822	0.7
447.19800	0.4
454.34256	0.3
465.10620	0.6
465.21521	4.3
466.09869	0.3
466.21243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
55.05504	18.2
56.05038	2.2
57.03435	5.3
57.07075	2.7
58.99590	9.9
64.50552	2.0
67.05499	26.1
69.03388	2.5
69.07058	21.5
71.02042	2.1
71.04991	13.6
76.02226	16.9
79.05482	18.3
80.05016	4.0
81.07053	79.8
83.04981	3.8
83.06106	2.9
83.08615	19.3
83.66267	1.9
84.04504	66.5
85.02911	3.0
85.06543	18.0
86.09679	2.1
86.99054	9.6
87.02679	2.4
88.03975	5.6
91.05475	27.3
93.06501	3.6
93.07027	21.9
95.04965	2.6
95.08601	96.7
97.06529	23.8
97.10150	9.1
99.08069	11.4
101.06040	2.9
102.05543	4.4
105.00100	9.0
105.07022	31.2
107.08579	13.0
109.06482	4.3
109.10149	5.2
111.08092	7.7
113.09666	3.0
114.03774	5.8
115.07592	3.7
117.90915	1.6
119.08574	40.5
120.08103	8.0
121.10117	15.5
121.40663	1.7
122.02710	21.3
123.08065	6.8
125.07221	1.6
127.07587	2.4
130.05000	18.8
133.10124	34.0
135.11696	21.7
137.09570	3.6
137.13246	16.1
141.09097	3.0
142.03217	28.4
149.13237	4.1
161.13254	100.0
162.13608	3.3
167.14334	4.0
178.02594	1.9
179.14294	91.5
188.03754	12.3
197.15353	90.1
198.15778	2.1
215.16408	21.6
217.08182	2.8
229.12599	4.8
237.12894	2.0
255.14120	4.9
262.75546	1.7
266.67224	1.7
272.16714	3.3
273.15167	17.7
286.04758	6.9
287.05042	6.3
288.05362	11.0
301.07050	10.7
301.14658	5.1
302.07364	8.7
303.04922	21.0
303.07724	16.2
318.17386	3.4
319.12741	1.3
319.15698	48.9
336.18369	63.0
337.18674	3.3
384.18362	3.5
402.19534	3.6
447.21426	10.1
448.20020	6.0
465.17038	2.5
465.22659	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49802	0.3
69.66385	1.7
82.08776	0.4
85.97292	0.4
86.95181	0.3
89.06016	1.0
91.64066	0.4
93.90604	0.4
96.17610	0.3
97.09694	0.4
98.23409	0.5
129.62257	0.3
143.92128	0.4
385.29199	100.0
386.29532	3.9
486.35828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64674	0.2
52.52855	0.2
53.87565	0.2
56.17515	0.2
57.07064	0.2
69.81852	0.2
69.89497	0.5
69.89832	0.4
89.06017	0.8
109.06470	0.3
109.10159	0.3
133.08559	0.3
135.34154	0.2
229.66737	0.2
271.24680	0.2
303.04932	0.4
306.94418	0.3
385.29202	100.0
386.29617	5.0
394.01776	0.3
465.25681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45568	0.2
67.01241	0.2
75.33749	0.2
79.05454	0.5
84.04501	0.4
85.61127	0.2
91.05487	2.5
94.02892	0.4
95.01315	1.2
95.05001	0.3
103.05460	0.8
107.04254	0.5
107.04945	7.5
112.03969	1.7
116.39771	0.2
119.04934	3.3
123.00800	0.3
131.04909	1.5
131.26030	0.2
135.04404	4.7
138.03116	2.1
140.03412	17.9
140.49690	0.3
141.03763	0.6
153.05447	12.1
153.99550	0.3
163.03888	20.8
164.04263	0.5
168.02901	100.0
169.03249	1.7
171.72470	0.2
195.06509	4.2
230.08113	0.8
255.06284	0.4
272.09131	98.6
273.09470	3.2
330.06299	0.3
364.37253	0.3
425.34055	0.3
435.93250	0.3
437.50677	0.3
482.34335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
63.15427	0.2
68.99754	0.3
69.14359	1.2
69.14761	0.5
69.60567	0.2
79.05473	0.7
84.04517	0.2
85.74428	0.2
85.85445	0.2
91.05471	3.0
92.09867	0.2
94.02926	0.5
95.01318	1.5
95.04961	0.3
103.05468	0.8
105.03396	0.4
105.04516	0.3
107.04940	8.9
107.05679	0.4
112.03957	1.6
113.84436	0.2
115.05486	0.3
119.04929	3.7
122.02364	0.4
123.00801	0.3
131.04922	1.7
135.04391	5.0
138.03113	2.5
139.00342	0.3
140.03415	18.6
141.03775	0.3
153.05452	12.8
163.03885	22.0
164.04286	0.5
167.02101	0.5
168.02901	100.0
169.03262	1.5
186.03807	0.3
194.04477	0.3
195.06516	4.8
206.99301	0.2
213.05434	0.3
229.30782	0.2
230.08215	0.6
269.04245	0.3
271.08392	0.3
272.09131	96.3
273.09448	4.0
276.99673	0.2
288.05569	0.3
291.02609	0.8
293.04602	0.2
304.05145	0.4
358.53687	0.3
466.09399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01872	5.0
55.05496	0.9
57.03424	3.1
61.02917	2.2
62.06082	0.9
67.05480	0.8
68.99782	2.3
69.03428	15.3
69.81787	2.7
71.04977	1.8
73.02917	4.5
76.54942	0.7
77.03931	0.7
81.03416	12.8
82.05103	0.7
85.02902	43.0
87.00829	15.6
87.04437	1.0
91.03951	1.2
91.04561	0.8
91.05514	0.8
97.02894	13.2
99.04446	7.2
103.03950	2.1
105.01865	20.0
108.04488	2.9
109.02870	13.6
115.05426	3.3
116.06258	1.8
117.01847	1.2
124.03960	1.7
126.05538	1.4
127.03910	29.9
128.06198	2.6
129.01823	2.7
129.07002	1.8
131.04970	1.5
131.86377	0.8
132.05705	2.0
141.06969	1.0
142.07782	1.7
144.76624	0.8
145.04942	14.3
147.02795	1.6
153.06978	8.6
153.92558	0.7
154.07809	3.7
155.08534	11.2
159.02852	7.9
165.06992	8.7
168.05676	10.2
170.07164	1.0
171.02966	1.2
171.08031	1.0
177.03952	0.8
181.06454	1.8
182.07214	3.6
183.08046	100.0
184.08388	3.1
189.03917	4.5
193.07642	0.9
195.08005	1.2
197.09621	6.0
198.06813	1.5
207.08081	1.7
209.09622	2.1
211.07487	0.9
213.03885	1.4
221.09593	4.2
223.07582	1.5
225.09145	5.6
231.04958	8.2
235.11206	1.3
237.09096	4.4
239.10739	0.9
248.07671	1.5
249.06154	1.7
249.09062	3.8
263.10709	2.5
267.10074	2.4
273.09024	2.7
279.10120	1.6
291.10159	6.9
309.11285	3.9
375.15903	0.8
395.11322	1.4
413.12421	1.0
466.27942	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	466.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.4
57.03439	22.1
61.02914	4.2
69.03429	100.0
70.06585	5.1
73.02907	5.4
81.03419	8.1
85.02905	72.1
87.04473	65.8
91.05470	14.2
96.24500	3.4
97.02887	76.2
98.22635	7.1
98.64452	3.4
100.07606	5.5
115.03924	91.4
119.04948	7.9
123.04439	5.1
127.03926	10.0
133.04964	95.0
133.06487	4.7
137.02373	6.2
137.05969	92.5
145.04956	11.8
150.07620	19.8
151.03908	23.0
151.07541	14.8
152.04213	10.6
155.07027	13.5
165.05478	45.3
168.02914	18.3
175.07675	6.2
179.07048	29.9
191.07076	5.7
197.08063	6.5
203.07014	9.7
205.08656	9.7
216.11357	8.9
221.08110	13.5
232.16086	3.5
233.08105	19.7
251.09175	19.4
263.09109	7.6
286.06729	4.3
304.08020	9.1
346.09381	5.3
466.25650	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	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01870	0.9
55.05509	2.4
57.03433	3.3
57.07084	1.8
59.05007	1.1
61.02932	2.9
65.03934	1.1
67.05514	6.5
69.03432	8.9
69.07078	4.3
69.92466	0.8
70.06587	1.6
71.04984	1.7
71.43005	0.8
73.02916	10.0
76.99178	0.9
79.05489	9.5
81.03426	1.8
81.07054	100.0
82.07390	1.7
82.20497	0.8
85.02905	19.5
87.04459	4.1
88.56949	0.8
89.06033	3.3
90.05578	0.8
91.05502	2.1
93.07052	3.2
95.04961	1.7
95.08602	16.9
97.02889	13.9
99.04453	1.4
100.11311	0.9
103.03953	2.6
105.07035	0.9
107.08564	1.7
109.02911	1.6
109.10210	1.6
111.04486	1.1
115.03905	5.5
121.02866	2.1
127.03904	7.6
133.04964	8.2
133.08672	1.1
137.13246	20.2
138.05536	2.5
139.01579	1.5
145.04945	9.0
147.04378	1.3
149.13292	1.3
150.07558	1.2
150.61325	0.9
159.11720	1.1
163.03925	1.7
163.05975	4.3
166.37515	0.8
177.11223	0.8
177.12779	1.8
182.15366	1.3
182.17833	0.9
193.04959	1.2
210.14893	1.1
241.07129	1.1
259.08142	3.5
269.17484	5.2
295.10187	1.6
296.20630	0.9
303.04935	1.1
304.05328	4.0
395.35123	1.1
403.07565	1.2
423.30331	1.7
435.10489	3.6
466.14301	4.9
466.21008	0.9
467.12686	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	466.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	6.5
67.05485	4.7
69.03422	18.3
69.21336	12.2
79.05483	2.8
81.03408	12.3
81.07050	7.2
83.04976	19.3
91.05476	7.8
93.07034	4.7
95.04978	4.7
97.06570	2.2
105.07016	8.6
107.08630	5.3
111.04430	34.1
117.06999	8.3
119.08566	8.2
121.06470	2.4
121.10159	2.6
128.06273	2.2
129.07007	5.7
131.08591	14.1
133.10083	4.5
141.06972	3.0
143.08563	7.5
145.10094	11.7
147.11711	2.9
155.08565	5.8
157.10138	10.9
158.10916	2.6
159.11693	7.9
165.09077	3.5
169.10083	3.7
171.11685	5.8
173.09624	3.7
173.13261	36.2
179.08679	3.4
181.10046	2.8
183.11667	6.5
189.12830	5.5
191.10739	2.7
191.14316	3.1
195.11636	3.7
201.12793	9.3
219.13777	10.4
265.15759	2.7
311.16299	4.2
329.17480	7.9
373.42310	2.5
389.19537	100.0
390.19650	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	466.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71904	1.3
55.01848	1.3
55.05496	4.4
65.94498	1.2
67.05489	8.0
69.07066	7.1
69.12346	8.9
71.04975	3.6
78.87999	1.3
79.05478	6.4
79.96924	1.4
81.07058	7.9
83.04971	2.5
83.08591	3.8
85.02888	4.2
85.06556	2.6
91.05479	9.2
93.07049	12.0
95.04962	4.2
95.08597	14.1
97.02893	6.6
97.06519	3.3
98.22576	2.8
105.07022	14.8
107.08585	13.9
109.06506	7.3
109.10139	8.7
111.04438	3.5
113.88503	1.4
115.03946	1.3
117.07023	4.3
119.08571	26.2
121.06457	3.0
121.10127	11.6
122.33651	1.3
123.08047	4.5
123.11674	1.5
129.06989	3.3
131.08545	8.2
133.10121	13.4
135.08046	4.0
135.11700	6.6
137.09612	3.1
139.07516	2.3
141.06996	1.5
142.07756	3.2
143.08528	10.5
144.09276	1.9
145.10098	18.7
147.08035	2.1
147.11670	16.3
149.09592	4.4
149.13214	1.6
155.07042	2.4
155.08504	3.6
156.09256	3.8
157.10103	21.6
159.08051	1.2
159.11659	18.2
161.09587	3.8
161.13235	9.3
163.07513	1.8
163.11195	3.2
165.09021	2.0
169.10100	5.0
170.10869	2.8
171.11690	18.8
172.12012	1.3
173.09587	2.2
173.13229	12.0
175.11195	3.5
175.14854	6.7
177.09108	1.9
177.12776	2.6
177.16443	1.8
179.08627	2.0
179.10652	3.1
180.09412	1.6
181.10101	4.1
182.10855	1.5
183.11690	5.4
184.12450	1.6
185.09515	1.9
185.13225	11.1
187.11154	5.5
187.14752	6.3
189.12787	1.9
189.16309	2.5
191.10796	2.6
193.10066	2.8
195.10115	2.7
195.11719	6.9
196.12318	2.0
197.13210	8.4
199.11172	4.0
199.14789	6.8
201.09119	1.6
201.16356	2.7
203.10606	1.9
203.14151	7.1
203.17682	1.3
204.15086	2.2
205.12218	5.6
205.15895	2.4
209.13235	4.8
211.14793	6.6
213.12749	2.6
213.16396	5.3
215.10591	2.2
215.14186	2.3
217.12254	3.4
219.13881	2.2
221.15289	1.5
223.14777	2.8
225.16283	2.7
227.10690	1.7
227.14252	2.1
227.17879	6.9
229.12198	2.2
231.13817	4.3
231.17403	1.8
235.15048	1.7
237.16418	9.5
239.14497	1.7
241.19542	3.7
249.14751	2.1
249.18538	2.1
251.17953	3.0
255.17395	8.5
257.15247	6.7
269.15445	2.1
269.18933	6.3
271.17108	1.9
273.15744	2.1
273.18384	10.1
279.17422	2.3
287.20038	22.4
291.19806	1.7
297.18420	14.6
305.21054	24.2
315.19495	100.0
316.19836	4.5
333.20560	42.1
334.20981	1.9
442.68399	1.5
460.65378	1.3
466.16922	3.4
466.27914	49.7
467.28085	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
61.71754	1.0
66.19664	0.8
67.05504	5.4
69.07079	1.2
69.50407	3.8
71.04987	1.9
79.05482	2.6
81.07049	4.2
83.04981	1.7
91.05487	2.8
91.49401	0.8
93.07057	4.1
93.07576	0.8
95.04990	2.7
95.08598	4.6
97.02896	6.0
97.06534	1.2
104.47672	0.8
105.07023	5.4
107.08573	2.8
109.06519	1.6
109.10143	1.4
111.04445	2.8
117.07009	2.4
119.08565	11.9
121.06515	1.6
121.10138	3.8
123.08076	1.2
127.07019	0.9
131.08582	3.8
133.10101	5.7
135.08078	2.1
135.11664	1.0
139.07561	0.9
141.05486	2.4
142.07747	1.2
143.08565	3.2
145.10103	5.0
147.08127	1.1
147.11664	11.6
149.09602	2.0
150.15535	0.9
151.07477	1.2
155.07047	2.6
155.08420	1.0
156.09337	2.4
157.10146	6.1
158.11029	0.9
159.11655	5.6
161.09644	1.7
161.13286	2.7
169.10188	2.4
170.10889	1.8
171.11658	6.5
173.09673	1.0
173.13249	15.4
173.14598	1.4
175.11229	1.9
175.14850	2.4
181.10078	1.6
183.11736	2.0
184.12448	1.5
185.13200	4.7
187.11160	1.6
187.14816	1.7
189.12695	2.6
191.65979	0.9
193.10225	1.0
194.10962	1.1
195.11699	4.5
197.13283	1.9
199.14813	5.7
201.16298	0.9
203.10747	0.9
203.14282	1.3
204.15045	1.7
205.15907	1.5
209.13225	2.6
211.14792	1.5
213.16388	1.6
217.15810	1.1
222.13966	0.9
223.14832	2.3
235.14761	0.9
237.16399	5.0
251.18056	2.2
255.13713	0.9
255.17563	1.5
261.16376	0.9
269.19016	0.9
273.18460	1.2
279.17224	1.4
297.18451	6.5
315.19522	100.0
316.19882	5.2
316.58600	0.8
333.20581	6.6
393.10492	0.9
466.27988	18.3
467.28067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06593	0.6
55.05503	1.4
59.36237	0.6
65.96589	0.6
67.05508	4.0
69.03436	2.1
69.07059	1.9
69.38049	0.5
70.58527	1.3
71.04987	1.5
72.46327	0.7
79.05478	2.1
81.07052	4.1
83.04984	1.3
85.06525	1.0
88.18504	0.5
91.05470	3.3
93.07036	5.0
95.04966	1.6
95.08591	4.3
97.02888	5.3
97.06542	1.2
101.93364	0.5
105.07024	6.3
107.04932	0.6
107.07965	0.7
107.08573	4.8
109.06499	1.4
109.10145	1.9
111.04437	2.7
113.06003	0.8
117.06992	1.4
119.08578	12.9
121.06427	0.7
121.10145	4.2
123.04395	0.7
123.08072	1.4
123.11718	0.7
125.05958	0.9
127.01547	0.6
129.07028	1.1
131.08588	3.4
133.10118	5.3
135.08044	1.4
135.11710	1.4
137.09673	0.8
139.07544	1.1
141.05479	1.3
142.07767	1.2
143.08543	2.6
144.09323	0.6
145.10080	5.2
147.08055	1.1
147.11662	13.7
149.09560	0.8
151.07510	0.7
155.06996	1.6
155.08519	1.0
156.09340	2.1
157.10115	7.2
158.10809	0.9
159.11688	7.5
161.09602	1.7
161.13251	3.0
169.10062	2.8
170.10878	2.8
170.44032	0.6
171.11679	8.1
172.12413	0.9
173.09621	1.2
173.13243	5.5
175.07562	0.7
175.11220	1.6
175.14796	3.0
180.09393	0.7
181.10091	1.6
182.10858	0.8
183.11668	2.2
184.12456	1.5
185.13258	6.8
186.13979	1.7
187.11095	0.8
187.14772	2.0
189.12747	1.7
193.10146	1.5
195.10144	1.1
195.11710	3.8
197.13220	3.7
199.11125	0.7
199.14809	6.6
201.12788	0.7
201.16257	1.0
203.14243	2.5
204.15135	1.0
205.15826	1.9
207.11697	1.2
208.12421	1.0
209.13281	4.3
211.14902	1.8
213.12897	0.8
213.16388	2.0
217.15808	1.1
221.11531	0.8
222.14029	1.9
223.14789	1.8
227.10677	0.8
227.18004	1.4
229.15729	0.6
235.14729	1.9
236.11916	0.7
237.12926	0.7
237.16383	7.7
238.16805	0.6
241.12195	0.9
241.19688	0.8
251.17899	1.6
255.17415	1.6
257.15350	0.6
259.13144	0.7
269.19064	1.2
273.14911	0.6
273.18463	1.4
274.03073	0.6
275.16382	0.8
279.17334	1.7
287.20175	1.2
297.18512	6.1
305.21014	0.8
315.19516	100.0
316.19839	5.6
333.20627	2.9
466.27960	18.7
467.28342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15331	0.6
55.01870	0.9
55.05503	2.5
57.07067	1.0
67.05500	5.7
69.03437	0.7
69.07048	1.6
69.97208	1.3
69.97512	0.7
70.63857	0.7
71.04980	1.9
79.05492	3.4
81.07059	4.4
83.04980	1.9
83.08580	0.9
85.02911	0.7
85.06564	0.8
87.04473	4.0
91.05462	4.0
93.07041	5.1
95.04945	2.7
95.08612	5.0
97.02865	5.3
97.06526	1.1
105.07024	14.1
107.08585	5.0
109.06497	2.0
109.10151	2.6
111.04420	2.2
111.08049	0.8
113.06015	0.9
117.06992	1.8
119.08565	15.5
121.06476	0.7
121.10147	4.5
123.08077	1.4
123.11742	1.3
128.06227	1.0
129.06952	0.9
130.07823	0.9
131.08545	4.0
133.10107	5.1
135.08067	0.9
137.09573	1.1
139.07553	1.1
141.05464	1.9
143.08563	3.8
144.09320	1.0
145.10118	6.7
147.08133	1.5
147.11668	16.0
149.09572	1.5
155.07077	1.4
155.08574	1.7
156.09354	2.5
157.10089	8.1
158.10881	0.7
159.08083	1.1
159.11699	7.6
161.09625	1.5
161.13235	3.0
165.06976	0.7
167.08525	0.8
169.10098	2.3
170.10869	3.5
171.11674	8.9
173.13260	6.6
175.11198	1.9
175.14815	3.2
177.12753	1.0
181.08673	0.8
181.10117	2.6
183.11729	3.4
184.12514	1.9
185.13258	6.8
186.14006	2.5
187.11124	0.9
187.14853	3.3
189.12759	1.9
193.08511	1.0
193.10101	1.7
194.10789	1.2
195.10085	1.1
195.11699	5.3
197.13280	4.8
199.11084	0.9
199.14780	8.9
203.14319	2.3
204.15102	1.4
205.15858	1.9
207.11626	1.6
208.12482	1.1
209.13190	4.1
211.14680	1.2
213.12758	1.4
213.16370	2.0
220.12357	0.8
222.13936	2.2
223.14833	1.7
225.16225	1.0
227.17757	0.9
231.01465	0.7
235.14735	1.7
237.12599	1.3
237.16365	8.8
239.14470	0.8
241.12369	1.1
245.15414	0.9
251.17891	2.0
255.17519	2.1
269.15247	1.0
269.18973	1.7
275.16422	1.2
279.17444	2.0
287.19962	0.9
297.18515	5.6
315.19522	100.0
316.19913	5.4
317.21008	1.0
333.20648	8.1
466.27936	21.8
467.28128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
55.05511	2.1
56.21364	0.3
57.07030	0.6
63.44632	0.3
65.03918	0.4
65.21671	0.3
67.05503	4.3
69.03426	1.5
69.03696	0.3
69.07069	1.7
69.64645	0.6
69.65036	0.6
71.04980	1.5
79.05491	1.9
81.07041	2.8
83.04987	1.5
83.08574	0.8
85.02837	0.3
86.73763	0.3
88.48160	0.3
91.05467	2.9
93.06525	0.4
93.07033	4.2
95.04958	2.0
95.08601	3.2
97.02354	0.4
97.02890	5.4
97.06481	1.1
105.07029	6.9
107.04845	0.3
107.08589	3.0
109.06515	1.4
109.10122	1.5
111.04446	2.4
111.08047	0.7
113.05986	0.6
115.05418	0.3
117.06975	1.1
119.08575	15.2
119.09396	0.5
121.06451	1.1
121.10136	2.1
123.08029	1.0
123.11594	0.4
125.05978	0.6
128.06140	0.6
129.06981	0.8
130.07726	0.3
131.08557	2.5
133.06474	0.6
133.10124	4.7
135.07977	0.8
135.11658	0.7
137.09567	0.5
139.07549	0.7
141.05415	2.2
141.06903	0.4
142.07710	1.1
143.08575	2.6
144.09283	0.7
145.10112	4.5
147.08005	1.1
147.11678	15.4
148.11981	0.4
149.09566	0.7
149.13213	0.5
151.07520	0.7
153.06929	0.3
155.06978	1.0
155.08487	1.4
156.09372	1.8
157.10117	5.4
158.10855	0.6
159.08047	0.4
159.11676	5.3
161.09560	1.3
161.13266	2.0
163.07452	0.5
163.11160	0.4
165.06935	0.5
167.08546	0.7
169.10089	2.1
170.10904	3.1
171.11693	7.7
172.12317	0.7
172.22224	0.3
173.09557	1.1
173.13248	4.9
175.11166	2.0
175.14807	2.1
176.11826	0.4
176.46645	0.3
177.12646	0.6
179.08604	0.4
180.09312	0.7
181.10065	2.1
182.10800	0.5
183.11673	1.9
184.12453	1.9
185.09668	0.8
185.13232	6.3
186.14001	1.2
187.11063	0.5
187.14848	1.9
189.12683	1.4
193.04774	0.3
193.08501	0.9
193.10130	0.9
194.10849	1.0
195.10059	1.4
195.11661	5.5
196.12305	0.6
197.13220	3.4
198.13728	0.6
199.11115	1.1
199.14799	7.8
200.15239	0.4
201.16341	1.4
203.14322	2.6
204.15100	2.9
205.15880	1.9
207.11676	1.2
208.12387	1.0
209.13254	4.1
211.14833	1.4
212.15620	0.4
213.12633	0.6
213.16280	1.5
215.10905	0.4
215.14377	0.4
217.15657	0.6
220.12532	0.5
221.13239	0.6
222.14000	2.1
223.14760	1.7
225.16258	0.5
227.10730	0.4
227.17932	1.0
235.14709	1.7
237.12741	0.5
237.16374	6.9
238.16853	0.4
241.12236	1.0
245.11620	0.5
251.17970	1.4
255.13783	0.7
255.17412	1.4
259.13263	0.6
269.18936	0.9
273.14621	0.4
273.18466	0.3
279.17389	1.1
282.16013	0.5
287.16483	0.7
287.19934	0.4
297.18466	5.0
315.19522	100.0
316.19894	5.4
333.58636	0.3
449.25418	0.4
466.27991	14.2
466.38538	0.8
467.28183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.4
65.03928	6.2
67.05502	24.7
67.27035	5.3
69.03439	43.0
69.07063	9.9
70.06567	10.6
70.07378	7.6
70.07725	14.8
79.05500	21.2
81.03410	19.1
81.07050	28.2
83.04984	28.2
83.82717	7.3
85.06538	7.1
88.07600	7.4
91.05476	25.9
93.07030	26.5
95.04948	8.7
95.08594	42.5
97.06518	6.2
98.45992	6.5
105.07039	40.3
107.08579	26.6
109.10155	12.2
111.04454	58.4
113.05998	15.0
117.07027	14.4
119.08593	38.2
121.06502	15.1
121.10196	34.6
129.06992	17.2
131.08569	30.4
133.10150	27.2
135.11690	9.4
142.07748	10.0
143.08574	19.6
145.10107	50.0
147.11720	15.2
149.02374	23.3
149.09628	6.6
152.11130	6.4
157.10144	21.6
159.11688	44.9
161.13252	13.1
167.08530	10.9
168.09312	8.6
169.10161	18.1
171.11678	15.2
173.13255	12.8
177.16417	19.1
179.08565	8.6
181.10121	11.6
183.11658	12.9
185.09686	7.5
185.13196	11.1
187.14806	94.4
189.12849	6.6
193.04950	22.0
195.11693	9.5
197.13242	13.8
203.14351	10.0
205.15871	100.0
206.16200	6.3
207.11710	9.8
209.13284	15.5
211.14900	9.1
214.17029	7.2
215.14352	15.4
237.07562	22.7
251.17964	11.1
256.26306	17.0
269.18967	15.4
279.17392	18.0
297.18396	29.3
315.19562	52.0
466.31848	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	466.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	14.5
58.79439	7.5
67.05486	14.0
69.03429	40.1
69.75316	21.7
69.75703	18.3
70.06585	30.3
79.05505	9.7
81.03429	19.7
81.07050	30.4
83.04935	12.9
90.53184	9.0
91.05482	20.3
93.07037	24.1
95.04974	12.1
95.08617	37.2
102.09207	8.8
105.07000	26.3
107.08588	21.2
109.10182	10.4
111.04414	45.6
113.05981	18.6
119.08551	14.8
121.10162	22.8
129.07062	10.0
131.08551	19.1
133.10141	14.9
143.08600	17.7
145.10149	32.3
147.11725	11.1
149.02335	48.3
155.08563	8.5
157.10187	18.4
159.11705	36.0
167.08614	9.3
168.12450	7.5
177.16412	18.4
178.01402	11.6
187.14818	93.5
190.43254	8.1
193.04982	49.8
197.13225	11.0
203.14230	9.3
205.15880	100.0
215.14146	8.0
227.87418	10.4
237.07623	33.5
256.26331	24.3
269.18921	12.1
291.02704	13.6
297.18552	35.0
301.99249	10.1
315.19592	17.2
317.54449	8.9
362.06485	11.2
458.48398	9.6
466.13193	14.8
466.31839	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	46.4
67.71228	15.3
69.15678	100.0
69.33724	14.0
71.08627	40.1
89.06046	45.5
98.98469	35.0
112.99981	21.3
133.08629	18.7
155.01065	20.3
184.45720	14.5
208.15665	18.4
219.51826	16.1
291.02567	64.8
309.81567	14.4
313.27164	26.8
337.27435	65.5
359.47498	15.5
428.62823	16.0
442.26401	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95382	27.8
57.07071	28.9
61.19078	25.2
66.15108	26.8
70.06598	28.6
71.08577	30.9
89.06029	38.1
91.95631	24.8
98.98494	32.2
105.07040	61.8
119.52333	24.0
180.92355	24.3
211.14395	35.8
228.16997	41.5
241.14250	28.6
291.02618	100.0
312.13428	30.7
337.27237	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1127
Annotation	Shoreaphenol
Peak:m/z	Relative Intensity
52.95984	0.4
54.48720	0.4
65.03912	0.8
67.01833	0.6
68.99776	3.3
69.18004	2.7
76.31998	0.4
79.05444	0.4
81.06882	0.4
85.05483	0.5
91.05474	22.6
92.99754	16.3
93.00237	0.3
93.00343	0.5
93.07013	0.5
95.04945	0.5
95.08607	2.5
103.05453	7.8
105.03386	2.3
105.07021	1.3
107.08595	0.6
115.05447	29.4
116.05798	0.8
116.99724	1.4
119.01266	0.5
128.06216	0.5
129.07002	4.4
131.04918	15.2
135.00758	0.5
139.00200	0.8
139.05376	1.0
141.06929	1.0
143.04912	33.2
144.05263	0.7
145.06496	0.7
145.10062	0.5
153.06982	1.0
155.04906	2.6
155.05957	0.6
155.08510	0.4
157.06480	4.5
163.00250	3.6
165.01857	0.5
165.07014	0.8
169.06474	1.2
171.08032	0.7
181.01324	3.1
181.06468	1.2
183.04402	1.7
188.98161	9.2
189.01822	0.6
190.99738	2.6
197.00807	0.5
197.05927	1.7
199.07492	1.0
202.99663	2.0
205.01462	0.7
205.15865	0.5
206.99229	72.5
207.99513	1.0
209.00827	2.6
211.03856	5.4
214.99738	1.9
215.06857	0.6
221.05992	1.3
225.00262	10.4
225.05402	2.5
229.04942	11.9
230.99223	12.6
233.00795	1.0
237.05446	1.7
237.12721	0.5
239.07024	1.4
241.04834	0.4
243.06442	0.8
249.00285	4.2
249.05441	1.6
251.06461	0.5
256.02527	0.5
258.98688	10.5
260.07010	0.4
265.04919	2.9
267.01755	1.0
267.06491	31.2
268.06818	1.1
276.99771	100.0
277.39493	0.4
278.00098	2.7
283.06061	0.5
285.00140	0.5
289.04846	0.5
292.03769	0.7
293.04456	5.8
295.00903	0.7
295.05988	1.5
307.05951	0.6
309.07596	0.9
311.05518	0.7
321.03870	0.8
329.11719	0.7
335.05481	4.4
339.44595	0.4
340.08240	0.8
345.03864	0.6
353.06479	1.5
363.04950	44.3
364.05313	2.6
371.12744	14.8
372.13092	1.0
381.06070	3.6
397.10709	5.8
407.33307	0.6
411.12418	0.7
439.11768	5.0
467.11334	7.1
485.12152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1316
Annotation	Silymonin
Peak:m/z	Relative Intensity
55.05497	1.9
57.88517	0.9
58.10779	0.7
67.05498	1.6
69.03423	2.1
69.07058	2.2
70.06587	1.6
71.04982	1.0
79.05486	1.3
81.03408	1.6
81.07055	1.6
83.08634	1.0
85.02888	2.8
87.60365	0.6
88.29330	0.8
91.05467	2.4
93.07005	1.0
95.04976	1.3
95.08573	1.4
97.02898	0.9
97.06524	0.9
98.23524	1.5
100.11250	1.1
105.01872	0.9
105.07034	1.7
107.04986	0.9
107.08579	1.2
109.10136	1.4
111.04398	0.7
117.07062	1.3
119.08558	2.4
121.02843	0.8
121.10149	1.1
124.03961	3.6
127.03891	2.3
128.10706	1.1
131.08530	1.0
137.05942	0.8
138.05484	1.5
145.10092	2.1
147.04362	1.0
149.02431	0.7
157.09996	0.9
159.11723	1.4
160.89536	0.7
181.02579	1.8
210.14793	1.1
283.05731	1.5
309.03668	14.4
323.09326	0.7
333.07312	0.9
337.03064	1.6
350.73862	0.8
359.08789	0.8
375.08365	1.2
377.06250	6.9
391.07910	5.2
399.83029	0.7
403.07983	1.2
407.11063	10.3
411.09628	1.6
417.09531	1.7
435.10510	44.2
436.10794	2.6
439.17462	1.4
449.11914	20.8
450.12354	1.5
467.12982	100.0
468.13321	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	467.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	10.4
67.05507	22.5
69.27253	58.1
79.05488	24.6
81.03439	12.2
81.07038	17.8
91.05482	43.1
93.07031	35.7
95.04977	15.6
95.08609	29.3
97.06557	11.2
98.23472	21.7
105.07030	60.7
107.04926	14.6
107.08604	23.8
109.06523	16.9
109.10184	11.6
115.05543	11.3
117.07051	13.1
119.08602	81.7
120.29021	9.6
121.10159	33.8
123.08125	16.0
129.07005	14.3
131.08565	41.2
133.06529	9.2
133.10149	50.7
134.07214	10.4
135.08081	13.8
141.06937	13.0
142.07816	19.1
143.08556	35.0
145.10124	89.8
147.08075	13.1
147.11726	22.7
155.08521	24.6
156.09383	27.4
157.10167	45.1
159.08180	11.5
159.11726	64.0
161.09540	20.3
161.13295	11.6
165.06964	13.0
169.10149	17.6
170.10858	13.4
171.11673	37.1
173.09586	23.2
173.13263	37.4
175.11195	17.1
181.10170	12.8
183.11678	60.4
185.09552	16.1
185.13272	23.1
187.11186	19.8
187.14780	88.6
188.12068	12.0
193.10188	17.6
195.11713	20.6
197.13211	30.9
198.14047	41.0
199.14850	21.1
201.12669	20.5
203.14372	18.4
209.13332	16.8
216.15015	11.8
217.15862	17.2
239.17943	13.1
250.73671	12.0
265.15884	32.2
283.16968	20.8
301.18079	18.2
311.16415	100.0
329.17511	96.6
331.19128	11.4
347.18475	40.9
448.00467	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	468.127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13525	0.4
53.03934	1.4
54.50394	0.4
55.01862	1.2
57.03439	3.2
59.04164	0.4
61.02924	3.6
69.03065	0.8
69.03427	11.6
69.35468	2.4
70.06552	0.6
71.04983	1.5
73.02907	1.7
78.03457	0.9
80.05015	0.5
81.03418	4.5
85.02900	47.2
86.03240	0.8
87.04458	1.6
90.03419	2.0
91.03964	1.3
97.02258	0.7
97.02889	12.1
98.22684	0.9
98.99996	0.8
99.04460	1.8
103.03927	0.7
109.02880	4.3
115.03899	1.1
124.13181	0.4
125.05990	0.5
125.41766	0.4
126.01064	43.2
126.05506	3.8
127.01842	1.6
127.03905	10.3
128.02603	1.0
144.02104	100.0
145.02435	1.7
145.04944	10.1
163.06050	0.9
186.03195	0.7
232.06311	0.4
240.60194	0.4
288.06326	1.7
306.07352	22.3
307.07642	0.6
393.38846	0.4
450.14233	0.5
468.14850	2.1
469.09140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
58.04221	2.6
59.04984	1.0
59.31329	0.9
65.03922	2.6
66.02467	0.9
67.05505	1.0
68.99790	2.3
69.03424	1.8
70.02940	2.9
70.06586	1.5
70.93552	1.7
71.04984	1.2
73.02908	6.9
73.06552	1.7
79.05474	1.4
80.05491	3.4
81.03396	1.6
81.07066	1.3
84.04506	1.6
85.02925	1.1
87.04438	4.4
89.06023	31.6
90.06386	1.3
91.05476	3.2
93.07038	2.0
95.04981	1.2
102.05546	3.5
102.06803	3.5
104.05372	1.0
105.07034	5.9
107.04943	2.1
111.04430	1.8
115.05473	1.5
116.03457	3.1
117.07046	2.0
119.04935	6.0
120.08086	2.0
120.17664	0.9
121.02856	35.5
121.03844	1.5
124.08179	1.1
128.06265	0.9
129.06958	1.2
133.06503	2.7
133.08588	16.0
134.08899	1.1
137.02376	1.7
138.05560	0.9
145.02837	33.9
146.03334	1.4
147.04387	3.0
151.03949	2.6
153.06900	0.9
155.60187	1.2
156.02895	1.1
157.06445	1.4
161.05988	6.1
163.04002	2.0
165.01855	3.9
165.05460	4.6
165.06932	1.1
166.08740	1.5
173.05977	2.0
174.05893	0.9
177.05513	2.1
177.11182	5.1
178.08694	1.3
178.11531	1.0
179.07002	5.8
189.05508	2.5
191.03387	1.2
191.06952	2.2
193.04974	2.2
195.08101	2.0
199.12701	1.0
207.06491	1.4
209.04483	2.9
213.05518	3.5
214.08690	1.6
215.08699	0.9
217.04956	2.4
223.07576	1.6
227.27440	1.0
235.06029	1.3
239.06961	1.8
240.08000	1.0
242.08034	1.4
251.06995	5.7
252.08359	2.1
254.05785	2.0
255.06493	41.4
256.06796	2.0
264.07928	2.7
265.08685	1.6
267.06509	2.7
268.07358	1.4
269.04410	1.1
276.07895	3.9
277.08572	3.6
277.11710	1.8
278.09396	9.4
279.06625	4.2
279.10117	45.1
280.07785	1.0
280.10733	3.9
281.08203	1.5
283.06094	3.8
283.09683	18.2
289.08527	1.9
291.10086	4.8
292.07233	1.7
293.08151	3.3
293.11578	1.3
295.09525	1.7
299.05450	2.4
304.08023	2.1
306.09888	2.0
307.06140	3.5
307.09604	81.8
308.06638	1.2
308.09708	5.2
309.07587	8.8
309.11209	5.0
311.09143	10.0
319.09680	2.8
321.07596	11.3
321.11111	1.0
322.09039	1.2
330.09723	1.3
332.07770	2.7
332.12897	2.1
335.08990	11.9
337.07056	1.6
337.10883	1.2
339.08511	6.2
353.10089	4.1
355.08133	15.0
360.12460	1.4
370.09186	4.2
378.13379	11.1
404.11255	1.3
406.12994	3.1
422.12341	100.0
423.12656	6.7
429.23236	1.0
432.18579	2.7
440.13422	3.8
450.11832	13.7
450.18573	1.6
468.12891	81.4
469.13226	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	468.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.5
53.33488	1.0
53.91238	1.0
55.01874	12.9
57.03428	5.9
61.02934	7.4
66.68958	1.1
68.99781	4.3
69.03069	2.1
69.03431	34.8
69.61890	2.3
69.62279	2.5
70.03762	1.5
70.06579	2.2
71.04983	4.8
72.70735	1.1
73.02915	10.8
81.03421	33.4
83.01324	1.6
85.02907	100.0
86.03231	1.4
87.00832	38.1
87.04424	1.4
91.03926	3.2
92.66026	1.1
96.28906	1.0
97.02896	38.8
98.06064	1.4
99.04453	16.4
101.02368	1.5
105.01169	1.1
105.01873	29.5
108.04503	8.3
109.02876	34.3
115.03933	1.6
117.01840	3.9
119.04938	1.3
121.44198	1.0
122.27151	1.1
126.05513	3.5
127.03912	67.9
128.04274	1.6
129.01825	4.9
135.15518	1.2
136.07034	1.1
137.05902	1.3
145.03827	2.3
145.04951	38.3
146.22314	1.2
147.02904	4.8
159.02893	28.6
171.02905	1.6
189.03900	3.3
213.03984	2.5
227.07040	1.5
230.06613	1.9
231.04961	14.2
248.07666	3.9
269.08105	1.7
311.08890	1.7
366.46320	1.2
368.30017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69572	0.8
55.05502	0.9
61.42744	0.6
65.03928	0.8
67.05508	0.7
67.21954	0.6
67.62219	0.8
68.99760	0.9
70.06584	1.9
71.42869	0.7
79.05505	1.2
81.07074	1.0
86.75394	0.7
91.04942	1.2
91.05473	15.6
94.04176	1.5
98.61284	0.6
103.05451	1.6
103.06059	0.9
105.07038	1.3
107.04967	0.8
109.06511	0.7
109.77208	0.7
115.05416	1.0
116.05736	0.8
119.04941	30.5
121.06487	1.0
122.03642	5.1
127.03908	0.7
131.04889	3.6
137.05965	100.0
138.06313	1.9
140.03378	1.2
141.86708	0.7
143.04897	2.1
144.05350	0.9
146.95697	0.6
147.04398	49.3
148.04744	1.2
149.61789	0.7
151.07550	2.0
157.06491	0.8
168.02940	6.5
179.07019	42.9
180.07414	1.0
197.08063	3.1
197.47198	0.6
230.05251	0.7
256.02264	1.1
267.06625	1.1
268.06943	0.9
272.09119	7.1
273.96561	0.7
293.04172	1.4
311.62320	0.7
337.87811	0.7
340.07983	1.3
388.08127	0.8
418.51044	0.7
429.00461	1.0
434.08578	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	468.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01873	2.7
55.05507	4.7
58.99583	2.8
61.01146	3.5
65.03935	2.2
67.05515	6.1
67.05830	1.1
68.09756	1.2
69.03419	10.6
69.07063	3.3
69.60772	2.4
69.61126	3.0
74.00661	3.0
79.05487	7.9
81.03413	12.7
81.07052	8.9
83.04984	9.6
84.42776	1.0
85.01138	1.1
85.02937	2.0
85.06563	1.2
86.00661	2.3
87.64638	1.4
88.02212	27.4
88.03996	4.8
89.00649	1.8
91.05479	13.9
91.30946	1.1
93.07040	12.5
95.04947	8.8
95.08602	7.8
97.06524	1.6
100.02203	4.5
100.11268	1.5
101.00627	1.3
103.05473	2.0
105.07024	15.4
107.04977	6.3
107.08578	11.0
109.02909	3.3
109.06542	3.7
109.10165	2.1
111.04440	22.4
112.02192	4.2
113.00591	2.0
113.05975	1.8
114.03762	2.8
115.02177	3.1
115.05483	2.5
116.01672	18.2
117.07041	6.3
119.04978	3.6
119.08579	12.1
120.01228	1.3
121.06525	3.5
121.10111	7.2
123.04462	2.1
123.08092	4.3
126.03738	3.7
128.06187	2.3
129.07005	4.5
130.03235	2.7
131.04948	2.6
131.08563	10.5
132.01158	3.1
133.06508	4.5
133.10127	5.2
135.08067	2.8
137.06000	3.1
138.03703	1.4
139.11090	1.3
140.05289	2.8
141.07036	3.6
142.07776	4.6
143.08537	8.8
144.09329	2.9
145.06496	3.3
145.10089	12.1
146.02690	4.9
147.04375	3.1
147.08037	5.6
147.11719	2.8
149.09610	2.4
153.03632	1.4
153.06958	2.0
155.08578	5.4
156.09396	1.3
157.06435	1.2
157.10152	9.0
158.02721	5.4
159.01147	1.3
159.08087	3.8
159.11697	7.9
160.04222	2.5
161.09593	5.1
161.13275	2.7
162.02206	8.3
163.02069	1.4
163.11186	8.1
165.07010	3.0
165.09015	1.2
166.57031	1.1
167.08606	3.6
168.09337	3.2
169.10110	5.4
171.08046	2.9
171.11670	4.6
173.04276	1.3
173.09633	5.1
173.13249	2.3
175.03867	2.8
175.11133	3.0
177.09123	1.6
179.08557	4.3
181.10123	3.5
182.11070	1.3
182.15460	1.5
183.08089	2.0
183.11639	8.2
185.09624	2.1
185.13251	3.4
186.05907	3.9
187.11162	5.5
189.12688	1.4
191.08719	2.1
192.09369	1.4
193.10127	2.0
195.08098	1.4
195.11685	2.4
196.04279	2.7
197.09753	1.3
197.13229	2.0
199.11168	2.6
201.09216	1.2
201.12733	4.8
207.06512	6.4
207.11737	3.8
209.09691	1.4
209.13254	2.2
211.11179	4.4
215.08830	2.1
218.15196	1.3
221.13358	2.3
225.12697	2.2
227.14278	1.7
229.12177	2.8
233.09909	2.4
235.11493	1.9
236.07436	1.2
237.12538	1.5
251.14217	1.2
255.13864	5.6
265.15710	2.1
273.14883	17.3
274.15210	1.3
291.15829	3.9
293.15356	1.5
304.13675	3.1
307.11545	1.4
311.16534	2.4
343.13553	5.8
386.17886	4.0
387.15997	1.5
396.16177	2.2
404.19183	1.6
414.17285	15.3
415.16641	1.5
432.18387	100.0
433.19003	7.3
450.19464	42.2
451.19635	2.8
462.60724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05510	2.4
58.99581	3.0
61.01142	2.8
65.03933	0.9
67.05501	3.3
69.03424	8.4
69.07086	1.1
71.04994	1.5
74.00664	2.7
75.67274	0.8
79.05489	4.5
79.74339	0.8
80.05016	1.5
81.03413	8.7
81.07051	5.1
82.06582	1.0
83.04977	6.4
86.00645	2.4
86.99030	1.3
87.04480	1.8
88.02219	21.5
88.03992	2.3
89.00620	3.7
91.05486	7.9
93.07046	4.3
95.04956	5.6
95.08630	4.2
97.01101	1.4
97.06500	1.6
99.04475	1.2
100.02200	4.2
101.00594	1.5
105.07025	7.8
107.04940	2.3
107.08597	5.8
109.02914	1.3
109.06532	2.9
109.10199	1.0
111.04433	5.1
112.02213	1.7
113.00581	1.2
113.06003	1.1
116.01681	16.7
117.00076	0.9
117.07013	3.6
119.04956	2.1
119.08585	8.3
121.06477	1.9
121.10157	2.5
122.02617	0.8
123.04419	0.9
123.08089	1.6
126.03780	1.6
128.06221	1.8
129.07013	3.2
131.07037	0.9
131.08575	5.2
132.01152	4.1
133.06477	2.2
133.10147	3.4
135.08035	1.9
137.06017	1.9
138.03677	1.5
141.07016	2.1
142.07780	1.9
143.08569	4.5
145.06482	2.0
145.10118	6.5
146.02721	2.0
147.04436	1.1
147.08041	3.1
147.11729	0.8
149.09689	1.4
153.07031	1.3
155.08577	3.3
156.09329	1.2
157.06494	1.0
157.10141	7.6
158.02707	2.5
159.01057	0.9
159.08081	3.1
159.11684	7.8
161.09627	2.1
161.13243	2.8
162.02216	6.1
163.00716	1.1
163.02158	1.0
163.07574	1.0
163.11183	3.1
165.07027	1.4
165.09119	2.7
167.08549	1.5
168.09395	2.2
169.10107	2.3
171.08110	1.5
171.11702	3.1
172.04337	1.5
173.09631	1.5
173.13268	1.6
175.03876	1.6
175.11165	2.0
177.09099	1.0
177.12729	1.0
179.08632	2.3
181.08701	1.0
181.10156	3.8
182.02792	1.0
182.10904	0.9
183.11678	6.1
184.04271	1.3
185.09648	2.4
185.13307	2.3
187.11212	3.4
191.08844	1.2
193.10201	1.1
195.11765	1.7
197.13280	1.1
199.11211	2.0
201.12767	2.6
203.14331	1.2
205.10066	1.1
207.06555	3.6
207.08270	0.9
207.11679	1.6
209.09572	1.1
209.13297	2.5
211.11258	2.3
225.12776	1.8
229.12221	2.0
233.10025	2.4
235.14774	1.0
237.12825	1.4
251.14191	0.9
255.13747	2.6
269.15369	0.9
273.14810	7.7
283.16812	1.3
293.15326	1.3
304.13837	1.5
308.55728	0.9
343.13495	3.2
361.14633	1.1
368.16879	2.4
386.17795	4.6
387.16495	1.7
389.05869	0.9
404.19281	1.3
414.17319	9.8
432.18402	100.0
433.18683	7.2
450.19461	67.6
450.24402	0.7
451.19867	3.9
468.20569	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	468.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01875	2.0
55.05505	4.0
57.69537	0.8
58.99583	3.8
61.01152	2.9
67.05516	3.2
69.03426	8.5
69.07067	1.2
70.06579	1.7
71.05003	1.9
73.01153	0.9
74.00663	2.8
76.02280	1.1
79.05483	4.7
80.05040	1.1
81.03414	5.0
81.07055	6.0
83.04981	5.7
85.01142	1.2
85.02901	1.7
86.00639	2.5
86.99019	0.9
87.02686	1.1
88.02213	22.8
88.03999	3.2
89.00628	3.6
91.05477	7.4
93.07040	5.0
95.04971	4.1
95.08605	4.3
97.06528	1.3
99.04487	1.2
100.02197	2.8
101.00631	1.1
105.00094	0.9
105.07018	6.9
107.04967	1.6
107.08601	5.9
109.02872	2.4
109.06520	3.7
109.10148	1.2
111.04442	3.4
112.02206	3.0
113.00606	1.6
113.06018	1.3
114.03744	1.3
115.02142	1.9
115.05399	1.0
116.01685	16.8
117.00124	1.0
117.07027	5.5
119.04951	1.2
119.08575	8.8
121.06518	1.8
121.10172	2.1
123.04460	1.2
123.08088	1.5
125.09614	1.0
126.03753	2.4
127.02111	1.1
127.07599	1.7
128.06229	1.6
129.06998	4.0
130.03194	1.0
131.08556	6.0
132.01166	4.4
133.06502	2.1
133.10132	4.0
134.02713	1.6
135.08051	1.1
137.05980	3.2
141.07028	1.9
142.07779	3.5
143.08536	5.1
145.06474	2.2
145.10146	7.2
146.02716	2.1
147.02638	1.0
147.04425	0.9
147.08032	3.3
147.11635	1.1
149.09592	1.4
153.06960	1.5
155.08543	2.7
156.09277	1.1
157.10143	8.7
158.02705	1.5
159.08080	3.3
159.11693	7.2
160.04297	1.4
161.09579	1.7
161.13327	3.2
162.02217	7.3
163.11200	3.5
165.07074	1.3
165.09164	2.4
167.08607	1.6
168.09381	1.9
169.10136	3.2
171.08124	0.9
171.11707	2.4
172.04337	1.9
173.09669	2.2
173.13266	2.4
175.11195	2.5
179.08578	1.6
180.09267	1.1
181.04961	1.4
181.10143	3.5
182.10887	1.2
183.07925	0.9
183.11679	4.2
184.04282	1.0
185.09624	2.5
185.11719	2.7
185.13275	2.2
187.11221	3.5
191.08736	1.0
193.10120	2.3
195.11725	1.9
197.09721	1.5
197.13322	1.6
199.11288	1.7
201.12778	2.6
203.14401	1.1
205.10138	1.7
207.11642	2.2
209.13266	2.1
211.11176	1.4
215.08826	1.5
219.11852	1.0
229.12415	1.8
231.11867	0.9
233.09901	2.2
235.11317	1.4
237.12750	1.9
239.14168	1.0
255.13763	1.7
273.14798	8.1
283.16666	1.1
304.13730	1.4
311.16327	1.2
313.18094	1.0
343.13889	1.8
354.15244	0.9
361.14639	1.5
368.16879	1.5
369.15329	1.2
386.17917	4.1
387.16162	1.5
404.18930	1.6
414.17249	9.1
432.18381	100.0
433.18674	6.0
450.19440	63.4
451.19736	3.3
468.15344	2.5
468.20514	3.0
469.21457	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01865	11.0
57.07065	6.8
59.04999	2.5
64.89886	1.6
67.05497	7.8
69.03432	10.0
69.07076	8.6
70.02934	4.7
71.10210	2.6
72.04517	25.3
73.02910	14.8
74.87952	1.6
81.03418	19.9
83.04964	6.3
84.08107	1.8
85.02908	14.9
85.06539	9.1
86.09717	3.9
87.04436	2.2
87.08104	2.2
90.05553	42.1
95.04966	9.7
96.08121	2.7
97.02876	11.8
98.02430	18.6
99.04453	3.3
100.03969	6.9
100.07596	4.2
103.07574	3.2
105.06977	2.3
109.02880	31.9
112.07641	1.7
113.05997	6.5
116.03448	20.5
121.02815	1.9
124.07598	25.9
126.01073	2.6
126.05528	2.2
127.03915	15.5
128.00801	1.8
132.06544	10.7
136.06203	2.2
138.05510	3.4
142.08620	16.4
144.02095	6.2
145.04997	8.5
149.09604	2.1
151.03923	3.3
158.04401	2.8
160.09673	7.2
165.32614	1.7
166.08664	6.3
172.09686	6.5
174.11267	5.0
181.04941	3.6
184.09697	33.2
198.07617	5.6
199.05936	5.2
202.10741	100.0
203.11310	3.3
211.09586	10.9
216.08646	5.6
217.06970	3.0
220.09633	3.1
220.11763	24.1
226.10590	2.1
230.10262	17.3
234.09764	9.2
244.11754	2.8
262.12839	21.0
288.11285	3.0
310.12894	8.8
328.13898	65.3
329.14185	3.8
338.14429	2.7
343.92670	1.9
346.14978	11.0
364.16043	30.1
432.18100	2.8
468.16177	5.4
469.17197	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	468.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.9
54.51199	1.8
55.01871	12.7
55.05508	1.8
57.03441	2.4
57.07069	6.3
59.04992	1.9
67.05495	7.0
69.03429	11.2
69.07068	12.8
70.02946	6.9
70.06590	2.4
70.82722	2.8
72.04511	29.7
72.08137	2.3
73.02914	13.5
81.03410	22.3
83.04967	7.1
84.04510	1.8
84.08121	4.9
85.02894	11.1
85.06538	7.6
86.09700	3.3
87.08089	2.3
90.05551	46.4
95.04982	9.9
96.08095	4.3
97.02906	10.7
98.02406	18.5
99.04458	5.7
100.03979	8.2
100.07620	25.7
103.07569	3.8
104.77014	1.7
109.02881	27.3
109.07625	2.0
112.11247	3.5
113.06000	6.9
116.03443	22.3
124.07592	23.1
126.05501	3.1
127.03909	20.3
127.08694	6.5
131.04895	2.6
132.06540	8.3
136.82866	1.6
137.05923	1.8
138.05492	7.0
139.98996	2.8
142.08647	13.1
145.04955	6.5
150.05450	2.1
151.03818	4.2
156.06526	11.7
158.00052	11.2
160.09689	5.4
166.08647	6.4
171.14935	2.5
172.09702	4.5
174.11270	4.2
181.04955	3.8
184.06105	2.4
184.09688	33.0
193.08562	2.2
198.07596	6.7
199.05992	5.5
202.10741	100.0
203.11269	4.8
211.09637	12.6
216.08598	5.6
217.07037	7.2
220.11771	32.9
220.13658	2.9
230.10213	12.9
234.09698	12.2
244.11845	3.3
262.12854	22.7
302.04257	4.9
310.12918	12.0
328.13898	66.0
329.14084	2.5
346.14963	14.6
364.16006	32.3
406.27081	2.5
424.28134	4.3
425.35690	1.7
432.24640	3.7
443.65414	1.9
450.25931	13.9
468.16516	2.0
468.27072	28.6
469.27673	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	468.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01878	3.7
55.05492	10.2
56.96569	4.8
57.07067	4.1
57.87158	2.9
63.48856	2.7
65.03943	3.2
67.05486	14.4
68.99780	4.0
69.03428	5.9
69.07063	7.5
69.87294	6.7
69.87685	5.3
71.04962	4.4
79.05499	18.0
79.35768	2.8
81.03400	11.3
81.07043	21.1
83.04977	6.6
83.08616	3.1
87.04460	18.2
91.05468	20.1
92.74821	3.2
93.07034	21.5
95.04972	12.0
95.08595	33.6
97.02900	6.9
97.06526	17.9
97.12045	2.6
105.07022	27.1
107.04990	4.2
107.08570	15.9
109.06520	11.0
109.10143	5.6
111.04439	3.5
117.06996	11.9
119.08567	34.5
121.02870	6.4
121.06503	7.7
121.10150	8.4
123.08064	6.8
124.03955	9.0
125.05980	5.0
127.01608	3.2
127.03893	6.8
128.06168	4.6
129.07030	10.2
131.08540	22.5
133.06496	6.9
133.10095	16.8
135.04362	3.7
135.08025	5.7
137.05983	8.4
141.07016	6.1
142.07768	9.0
143.08543	27.5
145.06419	3.4
145.10104	36.6
147.04301	4.0
147.08078	6.1
147.11687	9.7
148.06313	3.0
149.05986	5.6
153.06975	5.3
155.08530	43.7
156.09299	15.2
157.10115	38.7
158.10764	5.7
159.04250	2.6
159.08086	4.0
159.11684	27.2
161.09653	5.5
161.13234	4.1
163.07529	6.8
165.07008	6.8
166.07790	3.8
167.08549	10.7
168.09349	4.2
169.10088	34.9
170.10883	15.1
171.11667	37.2
172.12318	4.0
173.06013	4.7
173.09618	12.0
173.13278	11.7
175.11232	4.7
177.05493	3.4
178.07811	4.2
179.08569	6.2
180.09212	3.3
181.10065	19.2
182.10851	11.9
183.11696	26.6
184.12544	4.1
185.13216	22.3
187.11174	4.6
187.14771	34.2
189.09134	11.1
191.06987	3.8
192.09283	7.1
193.10121	20.2
194.10890	5.9
195.11662	21.1
196.12404	14.3
197.09688	4.6
197.13232	24.0
198.13773	3.4
199.07726	2.7
199.11195	3.1
199.14813	12.8
201.09103	11.0
201.16302	2.9
203.10596	2.8
205.10121	7.6
206.10899	12.3
207.11661	31.0
208.12491	8.5
209.13251	17.1
211.11244	7.7
211.14780	53.6
213.09152	4.3
213.12683	3.1
213.16406	11.9
215.10641	7.8
215.14290	21.9
220.12448	14.5
221.13280	23.3
222.13861	3.1
223.11278	3.0
223.14754	21.7
225.12729	6.8
225.16394	9.3
227.08844	5.2
227.10803	3.7
229.15845	12.3
231.10069	5.7
231.17522	3.4
233.11562	4.6
233.15337	3.5
234.14072	6.9
235.14790	48.0
236.15506	4.9
237.07556	22.0
237.16319	5.9
239.10738	4.3
239.17831	3.2
241.15765	4.2
249.16277	17.4
253.12183	5.0
253.15828	7.6
255.08635	17.5
255.13730	9.0
257.15375	28.0
265.15903	4.5
267.17352	13.6
271.16888	10.6
277.15933	7.2
280.14505	3.1
283.16953	13.5
285.14850	6.2
285.18372	9.2
295.16913	55.9
301.18015	25.9
313.17935	100.0
314.04617	10.9
314.18323	7.9
324.03040	6.0
331.18988	79.1
332.19040	3.1
333.93890	2.8
342.03995	19.1
343.04773	5.5
360.05197	8.6
367.05267	3.3
373.20087	54.5
374.20438	4.0
385.06088	5.8
387.03571	3.8
391.21307	5.5
396.47040	3.1
403.06989	60.9
404.07288	4.4
421.08023	20.0
426.08661	5.1
427.07166	5.8
441.19058	11.3
445.08005	7.6
468.25949	41.0
468.32245	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	468.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89254	2.2
52.69618	2.1
55.05498	4.5
59.52433	2.1
67.05505	7.3
69.76934	8.8
79.05486	3.6
81.03402	7.3
81.07065	5.2
88.01040	2.5
91.05460	8.1
93.07048	11.1
95.04977	3.0
95.08599	10.9
97.02877	6.0
103.05471	4.6
105.07032	10.4
107.08595	9.3
109.06537	2.9
111.04420	2.9
117.07082	2.4
119.08575	16.6
121.06493	3.4
121.10172	10.1
127.03848	5.3
128.90912	2.3
131.04941	8.1
131.08563	10.7
133.10130	10.4
135.08043	5.6
135.11693	2.9
139.07498	2.6
141.06976	3.4
142.07805	4.3
143.08563	4.8
145.10110	17.3
147.08023	2.5
147.11696	9.0
149.09647	2.3
149.13336	3.2
155.08530	5.9
156.09261	7.6
157.10117	10.4
159.11720	12.3
161.09576	3.7
161.13235	2.4
162.31618	2.3
168.09332	2.3
169.10129	18.8
170.10941	5.5
171.11711	13.7
173.09679	9.1
173.13229	5.9
175.11174	3.7
177.12746	3.8
181.10117	6.8
182.10986	3.5
183.11641	11.8
185.09790	2.5
185.13245	8.9
187.11206	7.2
187.14780	12.9
189.12782	3.9
192.09323	3.7
193.10133	14.4
194.05246	3.0
194.10890	4.1
195.11740	6.4
196.12471	8.2
197.13266	13.1
198.14027	2.9
201.12718	6.8
201.16411	3.5
207.11621	12.0
209.13205	4.7
211.11348	4.2
211.14812	39.0
213.16345	5.3
215.14323	10.1
219.11789	2.6
220.12509	8.2
221.11497	4.0
221.13399	4.0
225.16377	3.2
229.15848	7.9
231.10095	5.3
235.14745	18.0
236.15405	2.8
249.16368	8.7
253.12202	9.8
253.15898	5.0
255.13863	3.1
257.11728	4.8
266.13507	2.8
267.17609	2.6
271.13312	2.7
276.99551	2.5
280.14758	2.8
285.14810	5.0
285.18436	3.3
287.16364	3.4
293.04327	4.4
295.16922	37.7
296.17056	3.1
303.19525	3.7
313.17975	83.3
314.18222	5.4
331.19019	18.3
373.20068	100.0
373.24756	5.1
374.20477	6.2
391.12122	2.5
468.26346	3.5
468.32535	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	468.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78341	0.7
55.01863	1.2
55.05507	2.5
57.07071	3.3
64.04018	0.8
67.05495	2.3
69.03411	2.8
69.07058	3.0
69.71978	3.0
70.04088	1.0
71.04977	0.9
78.03446	2.9
79.05491	3.8
80.05035	1.0
81.03413	5.9
81.07050	5.4
82.93618	0.7
83.04987	2.3
84.96133	0.7
85.02908	1.5
91.05463	5.9
93.07032	4.1
95.04954	3.5
95.08617	6.8
96.04461	1.0
97.02906	1.2
97.06517	3.6
98.22700	0.8
98.72861	0.9
101.02342	1.3
103.05468	2.0
105.07020	25.8
106.02906	7.0
107.04945	1.6
107.08582	4.9
109.02825	1.1
109.06509	2.3
109.10124	2.1
111.04447	3.7
111.08063	0.9
115.03900	1.1
115.05412	2.0
117.07036	3.8
119.08576	15.8
121.02856	1.5
121.06516	1.7
121.10148	2.6
123.08037	1.9
124.03941	23.4
125.01539	2.9
125.06042	1.8
127.03921	3.4
128.06219	1.9
129.07019	3.4
130.07764	1.3
131.04944	1.0
131.08566	9.6
133.06476	45.3
133.10123	8.2
134.06851	1.5
135.08051	2.0
137.02357	0.9
137.06023	1.5
141.01582	0.8
141.07007	2.1
142.07771	2.8
143.08557	6.3
144.09381	2.2
145.10114	37.0
146.10419	1.6
147.07997	1.7
147.11684	6.7
149.05972	1.0
149.09616	1.1
149.13319	1.0
155.08546	3.1
156.09340	3.1
157.10123	11.1
158.10910	2.3
159.08040	1.8
159.11674	17.0
161.05945	3.8
161.09659	0.9
161.13237	3.6
163.07521	1.3
163.11165	1.3
165.06985	1.2
167.08514	1.4
169.04689	1.2
169.10115	4.3
170.10887	12.9
171.06621	1.5
171.11658	6.4
172.12491	4.9
173.09680	1.4
173.13271	7.2
175.11118	0.8
175.14784	1.5
177.16269	1.3
179.08612	1.3
181.08717	0.9
181.10179	2.2
183.11674	4.6
184.12485	3.2
185.13240	28.1
186.13849	1.9
187.14798	70.3
187.57021	0.8
188.15286	3.7
191.10712	2.0
193.10190	2.2
195.11720	2.4
196.12425	1.6
197.09622	0.9
197.13254	3.8
199.14780	8.3
201.12698	1.9
201.16409	5.8
202.17149	2.3
203.14307	7.2
205.15846	1.7
207.11725	2.2
209.09665	1.1
209.13243	2.8
211.11264	1.1
211.14804	3.6
213.16368	1.3
217.82011	0.7
219.11713	1.1
220.12537	1.2
225.12761	1.3
225.16408	3.1
227.09192	1.0
230.09229	25.6
234.07675	1.1
235.14859	4.8
237.07544	1.5
237.11111	1.0
241.12245	0.9
249.16380	1.7
250.07002	1.0
253.12326	1.2
253.15733	4.0
255.08644	1.1
267.17511	1.1
271.16873	2.6
285.18488	1.4
295.16843	4.1
300.81567	0.9
313.17944	7.7
331.19009	100.0
332.19418	6.3
338.10843	1.3
349.19974	0.9
379.15402	2.2
410.83807	0.9
417.22507	0.9
423.18237	1.4
441.18976	1.5
451.17337	3.4
468.20261	33.1
468.26044	16.6
469.03101	1.0
469.18777	11.3
469.26022	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60196	1.5
51.94830	1.4
52.93015	1.7
55.05494	2.1
59.55226	1.2
67.05505	7.5
69.03431	3.6
69.07067	2.0
69.70158	1.4
69.70487	5.2
71.04981	2.7
72.81738	1.3
73.73894	1.2
79.05480	3.5
81.07053	8.2
83.04945	2.4
83.08563	1.6
91.05481	5.7
93.07034	6.5
95.04935	4.5
95.08591	4.7
97.02879	5.6
97.06501	2.8
98.23521	1.4
105.07034	6.0
107.04947	1.6
107.08576	5.5
109.06520	4.5
111.04432	3.2
113.06002	1.6
117.07011	5.1
118.57524	1.4
119.08573	12.1
120.78933	1.4
121.06488	3.9
121.10143	3.0
124.03947	10.6
126.00992	1.8
126.48067	1.4
129.07014	2.1
131.08531	7.7
133.06519	1.6
133.10092	6.4
135.08012	2.3
139.07529	1.5
141.05411	3.7
141.06966	1.8
142.07742	2.2
143.08542	7.2
145.10155	14.6
147.07988	1.9
147.11644	3.4
149.09576	4.0
149.97356	1.6
155.07068	3.5
155.08580	4.2
156.09349	3.1
157.10097	11.0
159.08037	2.3
159.11646	6.6
161.09579	3.3
167.08539	2.5
168.09377	2.1
169.10098	9.8
170.10898	2.5
171.11688	12.2
171.76814	1.6
173.09630	3.4
173.13211	8.6
175.11169	2.9
179.08479	2.1
181.10037	2.9
182.10834	3.3
183.11644	8.2
184.12439	4.5
185.13271	4.1
187.11183	4.0
187.14828	2.5
193.10097	4.9
194.10905	1.8
195.11670	4.0
196.12393	1.6
197.09561	2.4
197.13257	17.0
199.14835	2.2
200.11919	1.8
201.12730	6.2
203.14302	2.5
207.11656	5.7
209.13231	4.8
211.11150	4.3
211.14803	6.3
215.14249	3.0
220.12411	7.1
221.13228	2.8
223.14799	2.3
225.16362	6.1
235.14775	9.8
249.16463	3.0
253.12196	2.1
253.15915	9.1
253.18082	1.7
267.17325	3.3
271.16913	3.0
277.15799	2.4
285.18445	2.2
289.17896	2.7
295.16846	10.4
313.17944	100.0
314.18274	6.0
318.43503	1.5
331.18964	23.0
344.80420	1.4
373.20047	4.0
390.13348	3.2
433.22018	1.9
450.24725	3.5
468.19974	4.1
468.25851	13.9
469.19449	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	468.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.05515	3.1
57.07030	1.6
65.03928	1.6
67.05492	7.8
69.03418	3.8
69.07056	3.4
71.04984	1.6
79.05469	7.3
81.03372	1.3
81.07052	12.8
83.04967	2.6
85.06528	1.3
91.05469	9.9
93.07041	9.8
95.04960	6.8
95.08608	6.7
97.02890	5.8
97.06517	4.1
98.22667	2.6
105.07022	15.2
107.04993	2.5
107.08585	11.0
109.06522	10.5
109.10166	3.1
111.04425	4.5
111.08064	3.9
115.05474	2.0
117.07024	4.4
119.08578	25.8
121.02874	4.5
121.06497	3.6
121.10107	6.9
123.08033	3.9
123.17746	1.2
124.03932	3.4
125.05961	1.9
128.06247	2.0
129.06985	3.5
131.08568	10.4
133.10127	12.1
135.08035	5.5
135.11699	2.0
137.05937	2.0
137.09555	2.1
139.03850	1.9
141.05453	2.3
141.06967	2.5
142.07730	3.6
143.08560	13.1
144.09343	2.1
145.10121	15.0
147.08035	2.3
147.11673	3.4
149.05954	2.6
149.09637	3.9
151.07545	1.8
155.07019	6.0
155.08525	9.5
156.09323	5.6
157.10124	21.6
158.10901	3.1
159.08028	2.4
159.11684	29.5
160.12418	1.4
161.09593	5.8
161.13179	2.6
163.07503	2.3
163.11195	2.7
165.07007	1.7
167.08563	3.3
168.09297	2.2
169.10118	13.1
170.10907	6.1
171.11682	18.3
172.12274	2.0
173.09578	3.8
173.13220	16.1
174.13925	1.7
175.11212	8.8
175.14833	2.3
177.12692	3.1
179.08556	5.8
180.09273	2.0
181.08611	2.5
181.10121	4.8
182.10789	2.3
183.11699	13.4
184.12386	2.0
185.09602	3.4
185.13284	10.6
186.10339	2.1
187.11166	5.5
187.14821	6.6
192.09271	1.4
193.04970	2.3
193.10121	3.7
194.10899	3.1
195.11656	10.4
196.08569	1.2
196.12482	4.5
197.13261	12.3
199.11229	1.7
199.14816	2.4
201.12682	13.7
201.16278	2.2
202.13423	1.9
203.10628	5.9
203.14287	4.1
205.10219	1.8
205.12196	2.1
206.10835	1.5
207.11674	5.6
208.12457	2.5
209.13231	14.5
210.14001	3.8
211.11211	4.5
211.14792	18.0
213.09128	1.6
213.12816	2.3
215.10701	2.4
215.14238	5.8
217.15585	1.6
219.11758	3.0
219.13818	6.3
220.12460	7.0
221.13403	2.9
223.11278	1.8
223.14877	7.2
225.12810	3.7
225.16374	15.6
227.14259	1.9
229.12163	2.5
229.15851	2.2
233.11684	2.0
234.14008	3.6
235.14813	16.2
237.07639	2.7
237.12886	1.8
239.17871	1.7
243.17418	2.2
244.93968	1.3
249.16362	5.9
251.14247	2.4
253.15814	16.8
255.08604	2.6
267.17380	9.0
269.15408	5.6
271.16931	14.1
277.15997	2.5
285.18509	5.3
287.16422	22.4
289.17950	9.1
295.16904	18.0
303.19516	4.7
313.17960	47.7
314.18066	1.6
331.19019	100.0
332.19318	5.6
338.09085	1.3
349.20053	1.9
441.18631	1.6
451.17410	2.1
459.67279	1.4
468.19232	2.9
468.25861	44.7
469.18719	2.4
469.25937	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	468.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.05507	0.7
56.05031	0.6
58.06585	1.9
60.89376	0.4
67.05471	0.4
69.03419	1.5
70.06593	2.2
71.04977	2.0
72.04512	4.4
72.08154	5.0
81.03394	0.8
81.07032	0.4
82.06551	0.7
84.08144	10.1
85.02891	0.7
86.06060	0.5
89.57058	0.4
93.07040	0.5
95.01307	0.6
96.04459	0.5
98.06073	0.5
98.09695	2.2
100.07613	66.4
105.07024	0.5
106.06517	0.8
107.04989	0.5
109.06515	0.7
110.06034	1.0
110.09682	2.4
112.11240	9.5
113.07135	1.5
119.04940	0.9
120.04469	0.6
121.06441	0.6
122.09680	2.7
122.53375	0.5
123.08068	2.8
124.03960	1.8
124.07537	0.9
125.08376	1.0
126.09182	2.2
127.08662	1.2
129.13890	3.9
131.04874	0.6
133.10773	0.4
134.05951	0.5
136.07558	1.1
137.05957	3.2
138.05493	1.4
140.03397	0.6
146.05989	0.6
147.08040	0.5
148.07594	0.7
149.05893	0.4
149.09544	0.5
150.05510	2.8
150.09085	0.5
151.03894	1.2
151.07697	0.7
152.03415	3.1
152.10695	0.8
153.06563	3.3
154.08643	0.7
155.11787	8.4
156.06532	2.9
156.35124	0.4
164.10738	1.1
165.09151	0.6
166.08653	0.7
169.13423	0.5
170.14070	0.8
170.17502	0.4
171.14922	5.3
173.06013	0.7
174.05544	0.8
174.09137	0.6
177.09105	1.0
178.08633	0.8
189.09235	0.5
190.08678	0.5
191.10681	0.5
192.06607	0.6
192.10226	0.7
194.04521	0.8
196.15802	1.1
198.16039	0.8
204.10167	1.0
206.08101	1.2
211.09679	1.4
215.10838	0.7
216.10187	0.6
219.10172	1.0
220.09712	3.5
222.14880	1.0
224.13936	1.0
234.11446	0.7
234.14880	1.5
243.10168	0.5
244.09845	2.2
246.11116	0.6
246.14980	0.5
250.22903	0.4
254.11723	0.7
262.10706	1.3
280.11749	0.6
292.15445	0.7
292.23834	0.5
300.15958	2.5
302.13919	0.5
316.15509	0.6
319.16534	0.9
322.13046	0.7
322.17471	0.7
337.17545	1.5
343.16595	0.6
348.22626	0.5
350.24411	0.8
352.17490	0.5
361.17596	1.9
362.24258	1.0
363.22784	0.8
364.15897	0.7
373.21204	0.6
378.23911	2.2
379.18542	1.5
380.25620	0.7
390.23938	3.4
406.26816	0.7
408.24976	9.4
414.23807	1.9
415.22269	1.2
422.26416	0.7
424.28204	0.8
432.24887	12.1
433.23691	0.6
439.75449	0.5
450.25986	39.5
451.26047	2.3
468.27026	100.0
469.13150	2.0
469.27341	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	468.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
53.82829	1.2
55.01862	4.0
57.03450	1.2
57.07072	2.3
58.06608	1.9
60.46019	1.0
69.03432	2.7
69.07062	2.2
70.02920	1.4
70.06606	2.8
71.04990	2.5
71.43384	1.9
72.04516	9.6
72.08145	5.4
73.02907	3.3
79.05459	1.2
81.03412	5.6
83.04976	2.5
84.08142	11.1
85.02890	5.4
85.06522	1.4
90.05560	10.3
95.04973	2.2
96.04475	1.4
97.02902	2.8
98.02422	5.1
98.06042	1.6
98.09676	2.4
99.04411	1.9
100.03981	1.4
100.07619	75.6
107.04946	2.1
108.04419	1.2
109.02895	6.6
110.09670	3.3
112.07539	1.4
112.11224	9.8
113.05992	2.7
113.07140	2.6
116.03444	4.6
122.09720	1.6
123.08067	1.8
124.03964	2.5
124.07593	6.0
126.05556	2.2
126.09171	1.9
127.03922	5.3
129.07027	1.4
129.13887	5.0
131.07033	1.3
132.06607	2.9
137.05997	5.3
138.05511	3.6
139.98953	3.0
140.03424	2.8
142.08640	5.1
145.04955	1.7
147.24586	1.2
149.09604	1.6
150.05479	2.3
151.03842	1.6
152.03432	3.4
153.06592	2.8
155.11769	6.9
156.06534	4.3
158.00049	8.5
160.09689	2.3
164.07104	1.2
166.08629	2.1
171.14963	6.4
174.11195	1.4
178.08669	1.4
184.09697	8.0
187.06120	1.5
190.08586	1.4
192.10025	1.9
199.06046	1.6
202.10733	27.2
203.10973	1.9
211.09615	3.4
216.08662	2.1
217.58540	1.2
219.10243	1.7
220.09790	2.7
220.11795	6.8
224.14055	1.5
229.03445	1.6
230.10089	2.7
231.10359	1.1
234.09555	2.6
236.95708	1.1
244.09746	1.8
262.12909	4.0
300.15866	4.1
302.04367	4.3
319.16315	1.8
322.25253	1.2
325.35284	1.2
328.13898	16.5
337.17606	1.8
346.15189	2.9
364.15848	8.1
378.23907	2.2
379.18759	2.6
390.23978	6.3
408.25000	10.2
432.25076	14.3
434.33859	1.5
450.26031	41.6
451.26398	2.0
468.27032	100.0
469.27463	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	468.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03947	0.3
57.07070	2.2
69.74300	0.6
70.23277	0.2
71.08626	1.5
73.06554	0.2
77.03913	0.6
79.05485	3.6
83.08616	0.2
84.30461	0.2
85.10181	1.1
85.42680	0.1
89.06020	5.7
91.05476	0.6
95.04962	1.6
97.10156	0.3
98.98463	0.2
99.11739	0.2
103.04774	0.2
103.05450	3.7
105.07014	100.0
105.20978	0.2
106.07349	1.8
107.07092	0.2
119.08543	0.2
121.06519	0.2
131.08559	0.4
133.08583	2.7
133.10139	0.6
134.10443	0.3
147.08052	0.8
165.09087	2.4
169.19385	0.2
177.11203	1.1
196.26587	0.2
208.59970	0.2
209.13330	0.3
223.11124	0.3
225.12740	0.5
241.12219	0.5
243.13797	0.2
251.14240	0.8
253.15782	1.1
257.24707	0.3
269.15314	3.9
283.14703	0.2
283.17471	1.1
301.15784	0.2
314.27670	0.2
329.18826	0.3
345.18381	1.3
371.80640	0.2
451.36237	0.9
468.28809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.5
57.07071	38.8
63.85014	0.5
69.07054	3.1
70.18557	1.3
70.18877	0.6
71.08625	28.0
71.23439	0.5
73.06554	6.1
83.08595	1.3
85.10175	16.7
87.04473	3.1
89.06020	100.0
91.07626	0.8
95.19778	0.6
97.10139	3.1
99.11726	3.3
105.07014	1.9
107.07056	2.3
111.11690	2.8
113.13251	2.7
113.24171	0.7
117.09116	2.9
118.66883	0.6
127.14799	1.2
130.08620	1.2
131.07043	0.7
133.08589	45.5
136.13943	0.5
151.09608	0.6
169.19533	3.5
171.67796	0.7
177.11200	17.1
190.91731	0.5
195.12315	2.9
213.22163	2.6
221.13843	2.4
239.14946	2.1
257.24713	9.2
283.17487	14.1
301.27411	3.4
402.54120	0.7
451.36224	16.9
452.36588	1.0
468.38974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	73.8
62.06089	2.8
69.07064	5.5
69.52640	2.8
71.08637	43.8
71.43025	2.8
73.06545	3.6
83.08598	4.6
85.10184	31.7
85.36376	2.9
89.06030	100.0
97.10172	3.4
99.11733	7.4
99.76647	3.1
107.07088	4.1
111.11716	3.4
113.13318	4.8
117.09171	2.7
130.08661	3.1
131.04968	3.8
133.08589	53.8
177.11201	21.8
208.96846	2.8
221.13875	3.8
257.24658	3.5
268.46484	3.5
283.17517	23.0
292.03146	4.0
293.04184	8.7
296.29996	3.1
327.28925	11.1
400.67218	2.6
451.36240	18.1
469.23175	4.2
474.16251	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	468.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87064	0.8
55.05500	1.9
57.07073	39.1
69.07067	4.2
70.70814	1.2
70.71133	0.8
71.08626	28.9
73.06547	6.1
74.16418	0.8
74.46916	0.8
82.22945	0.7
83.08609	2.0
85.10175	17.8
87.04462	3.5
89.06024	100.0
90.06348	1.2
97.10183	3.3
99.11706	3.7
105.07028	4.1
107.07063	3.6
111.11694	1.1
113.13309	1.8
117.09138	2.7
130.08633	1.6
133.08595	43.4
134.08873	0.9
151.09599	0.9
161.11665	0.9
169.19524	2.9
177.11208	14.7
177.12755	0.9
177.49516	0.8
178.11516	1.1
195.12285	2.8
213.22061	1.8
221.13916	1.5
239.14893	1.7
257.24725	6.5
283.17505	12.2
301.27417	2.4
333.62448	1.0
363.31262	0.8
440.79877	0.8
451.36325	12.6
452.36557	1.6
487.82532	0.8
493.60040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59497	0.9
58.04528	0.7
59.83433	0.8
65.96172	0.7
71.42269	0.9
73.10407	0.8
75.35112	0.7
76.00407	0.8
77.85843	0.8
77.86358	0.7
129.45212	0.7
148.75890	0.8
167.71992	0.8
177.05377	0.9
181.01097	1.5
199.02129	3.0
210.14938	1.1
271.05954	12.4
293.04175	100.0
294.04657	3.9
329.05112	2.4
330.10611	0.9
334.06772	1.1
453.16006	1.0
469.07388	22.6
470.07797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14500	10.9
69.28534	44.1
69.28958	19.2
70.06602	14.3
82.52305	9.8
94.07453	10.2
97.95213	11.4
98.22704	17.7
98.97579	58.1
99.24024	10.5
110.97556	16.1
116.98590	23.5
128.98605	16.1
136.07639	18.6
142.76636	10.4
193.12479	10.8
201.00845	14.3
219.01846	24.9
220.55066	12.0
237.02840	47.2
254.12944	12.2
299.04556	12.8
367.10654	11.9
383.97421	11.0
401.07526	27.5
442.25748	10.3
451.19513	23.5
451.54794	11.6
469.06650	100.0
469.12735	77.9
470.16251	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	469.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14993	8.9
56.96554	18.5
57.18065	9.1
60.40135	11.5
70.06605	14.1
70.99030	11.5
74.76173	9.4
85.44694	11.1
86.09731	10.5
98.97571	49.1
99.60672	10.1
110.97575	31.7
116.98645	30.3
128.98651	18.1
141.09068	12.6
163.54189	11.1
196.80310	9.7
201.43051	10.3
217.37567	9.3
219.01828	33.1
232.06952	11.6
237.02844	56.3
253.91644	10.9
281.03552	9.7
299.04416	15.0
335.04114	11.2
401.07574	28.8
425.08136	10.6
469.06912	100.0
469.16837	98.6
476.11624	10.7
476.81894	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	469.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
57.30795	0.6
67.05499	0.8
69.03416	1.9
69.07081	0.7
69.36447	3.3
70.06581	2.5
73.02898	0.9
81.03423	3.2
85.02900	2.4
86.09716	0.9
87.00845	0.9
95.04958	2.2
96.96082	0.7
97.02908	1.6
109.02869	1.3
121.83123	0.7
123.04429	1.9
127.03921	2.1
129.16702	0.8
136.97604	0.7
145.02843	0.7
147.04425	1.0
148.99745	38.9
155.07036	1.0
167.00829	0.8
167.06982	1.0
181.04996	1.2
183.06506	3.2
210.14912	0.8
220.95348	1.6
221.05493	12.1
227.05324	1.4
232.13454	0.7
249.04965	3.1
257.09979	1.3
271.04208	1.5
299.10931	2.9
317.06311	1.0
335.07367	3.8
343.10007	4.7
365.09686	0.8
383.10742	12.8
422.20483	0.7
425.11801	60.5
426.12177	1.9
434.19641	1.3
451.32755	0.9
469.10785	100.0
470.11154	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	469.1858
Annotation	Varixanthone
Peak:m/z	Relative Intensity
50.77040	0.7
51.18068	0.7
52.71238	0.6
53.71873	0.6
54.46639	0.7
55.01857	1.2
55.05495	2.0
65.03917	2.7
67.01862	11.0
67.05500	6.8
68.99799	3.9
69.03403	1.2
69.07055	2.1
69.26645	4.3
79.05482	6.5
81.03402	1.2
81.07053	4.6
83.04952	1.2
85.02898	1.0
89.05998	2.9
91.05473	5.0
93.03355	0.8
93.07018	4.4
95.04971	5.1
95.08604	4.0
95.49200	0.6
97.02857	2.0
97.06532	7.4
103.05465	1.0
105.04492	0.7
105.07014	2.7
105.87962	0.8
107.04945	4.4
107.08552	1.8
109.06500	0.9
109.10130	1.3
111.04458	3.5
113.05984	0.7
115.05435	1.7
117.06979	1.7
119.04941	4.3
119.08566	2.4
121.02860	42.9
121.03784	1.7
121.06520	1.5
121.10094	1.4
122.03154	1.1
123.04380	1.5
123.08038	1.5
124.03944	4.8
125.05984	3.8
127.03861	0.8
129.07024	0.8
131.04886	3.3
131.08585	1.4
133.06447	1.3
133.08582	1.3
135.04416	1.7
135.08040	1.5
137.02301	1.6
137.05936	1.6
139.00255	1.5
139.03874	1.4
141.01788	1.7
145.01953	0.7
145.02846	6.8
145.06490	1.9
147.04417	2.0
149.02303	2.6
149.05948	2.8
151.03874	2.5
153.03056	0.7
157.01273	0.8
157.06433	1.0
159.04482	1.0
159.07936	1.3
161.05946	1.1
163.03880	11.4
163.07521	3.3
165.05525	1.2
165.07024	0.9
167.03362	2.6
167.07121	0.7
167.08525	0.9
167.10017	0.7
169.04951	0.9
171.89589	0.8
173.02283	1.0
173.05971	1.2
175.03894	0.9
175.07596	1.0
177.05467	2.8
181.04900	0.8
181.08559	1.0
187.03899	5.0
189.05428	1.0
189.09128	1.4
191.07039	1.9
193.04944	3.1
197.05818	0.8
201.05406	1.3
202.06158	0.8
207.67140	0.7
209.08022	1.3
211.03940	0.9
211.07506	0.9
213.05527	1.3
215.07057	0.9
219.06511	1.9
227.07019	2.3
227.09160	4.3
229.04997	5.4
231.06506	1.3
233.08170	1.2
233.11659	2.0
237.07507	5.2
239.07022	4.3
240.07751	1.0
241.04971	3.5
241.08565	1.3
247.05983	10.9
251.07001	1.1
253.08598	1.5
255.06390	8.4
255.08701	2.6
257.04437	2.8
259.09668	2.6
263.09186	1.5
265.04932	0.9
265.08676	2.3
267.03656	1.3
267.06506	22.7
268.07159	1.4
269.08054	1.2
271.06116	1.2
275.05417	1.3
277.08694	3.4
279.10211	1.5
281.08035	4.3
283.06137	1.9
283.09543	1.5
287.16434	2.3
289.08414	0.9
291.09854	1.0
293.08078	4.0
295.06287	0.9
295.09717	1.1
305.08032	1.8
309.07489	0.9
338.04211	0.8
361.17798	1.0
363.19604	0.9
377.17477	3.2
379.15240	1.3
379.19119	9.9
387.15884	3.3
389.17499	3.6
390.17593	0.7
395.18298	0.9
405.16837	12.3
407.18585	15.2
415.15381	1.9
423.17996	11.2
433.16464	14.7
441.19028	9.8
451.17490	100.0
452.17883	5.8
469.18530	33.2
470.18912	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	469.2043
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
55.05516	0.7
63.00041	1.4
65.03936	0.3
67.05478	0.4
69.07059	0.5
69.88468	0.3
69.88792	0.8
81.03387	0.4
81.07015	0.4
83.07676	0.3
83.08617	0.7
85.02832	0.3
85.50404	0.3
87.04456	0.5
91.05471	0.5
93.07037	0.4
95.04959	0.5
95.08590	0.5
97.02888	0.5
97.06544	0.4
98.75988	0.3
100.11254	2.6
105.07037	0.5
107.02582	0.5
111.04420	0.7
119.08579	0.4
121.02864	2.4
123.04424	0.3
123.08099	0.4
124.03942	0.7
127.01562	0.5
137.02339	0.3
138.05492	1.4
139.05858	0.4
142.12257	1.4
147.04433	0.5
147.08092	0.4
149.05994	0.6
161.05960	0.7
165.05389	0.3
175.07635	0.3
182.15442	0.8
183.08171	0.3
184.16966	0.8
185.04286	0.4
193.04942	0.8
195.08049	0.4
197.05690	0.3
200.55173	0.3
203.05307	0.7
210.14911	0.7
217.08537	0.5
219.06618	0.5
228.15739	0.4
237.07451	0.3
239.07024	0.4
250.21857	0.4
255.08623	0.7
269.18658	0.6
272.33368	0.3
307.15100	1.0
311.23596	0.6
425.44901	0.3
441.16397	1.0
451.17691	0.9
469.09131	4.0
469.20404	100.0
469.37531	2.8
470.20795	5.5
471.16531	0.3
474.93658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	0.4
67.05486	1.0
69.03419	0.5
69.07065	0.7
70.04073	2.8
79.05492	0.8
81.03401	0.5
81.07040	0.5
83.08618	0.5
85.02891	0.5
89.06041	0.6
91.05476	0.8
93.03374	0.6
95.04954	1.5
95.08603	0.8
97.02889	1.0
97.06520	0.7
98.23447	0.9
99.94170	0.4
105.07056	0.6
107.08567	0.7
109.10173	0.3
111.04449	0.6
115.05454	0.7
117.07051	0.4
119.04997	0.5
121.02839	2.1
123.08066	0.7
124.03951	1.4
125.01537	0.6
125.05995	0.4
127.01556	0.9
133.06473	0.4
138.05495	1.7
139.00273	0.4
147.04388	0.6
149.05991	0.4
151.07515	0.8
157.06422	0.4
160.05127	0.5
161.05984	1.6
164.03456	0.4
165.05492	0.9
173.06027	0.5
175.03993	0.5
177.05531	0.5
189.09120	0.9
191.06969	0.7
193.04912	2.0
197.03729	0.3
199.07373	0.3
200.08447	0.3
215.07074	0.6
217.08450	0.9
219.06540	0.9
237.07567	1.0
255.08701	0.9
259.09964	0.5
283.67657	0.4
298.79080	0.4
307.15195	1.0
308.15271	4.4
335.12711	0.6
423.17950	0.9
426.74060	0.4
446.08063	0.4
451.17505	1.5
469.20389	100.0
470.20685	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	469.2563
Annotation	Phe Arg Phe
Peak:m/z	Relative Intensity
58.71696	0.6
70.93636	0.7
76.33534	0.7
81.07001	0.9
85.48593	0.7
93.06999	1.1
95.08602	1.9
99.24207	0.7
105.07022	1.7
107.08591	0.8
109.10163	0.9
116.52372	0.7
119.08565	1.9
124.03851	1.0
131.08499	0.7
133.10117	2.2
145.10178	1.1
147.11662	0.8
159.11699	1.3
170.10408	0.7
183.18028	0.7
191.39735	0.8
321.18289	3.2
335.18860	0.8
381.20349	4.9
409.26984	2.6
469.25500	100.0
470.25842	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	469.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90171	0.2
55.05509	1.4
57.03424	0.2
57.26839	0.3
63.78071	0.2
65.03912	0.3
67.05507	1.4
67.61678	0.2
69.07053	0.9
69.26324	1.5
69.26633	0.4
79.05489	2.5
81.07042	3.8
83.04977	2.0
91.05473	2.4
93.07033	3.7
95.04953	1.2
95.08597	2.2
97.06527	0.5
103.05471	0.3
104.51470	0.2
105.03387	0.3
105.07015	3.4
107.08595	1.7
109.06487	0.3
109.10165	0.5
115.05425	0.2
117.07023	0.5
119.08562	2.4
121.10147	1.0
124.03950	0.3
124.09122	0.2
124.87329	0.3
128.06226	0.3
129.06993	0.4
131.08521	1.5
133.10126	1.1
135.08110	0.3
135.11722	0.4
142.07716	0.5
143.08553	1.0
145.10117	1.1
147.08078	0.3
147.11687	0.9
150.06514	1.1
157.10086	0.9
159.11682	0.9
161.09686	0.4
163.07562	0.2
169.10089	0.3
173.09459	0.5
173.13251	0.4
181.10205	0.3
228.09558	0.3
232.10727	0.3
260.31268	0.3
341.20847	2.0
375.74347	0.3
409.27054	10.8
410.27350	0.5
469.29196	100.0
470.29547	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	470.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01868	0.4
55.05507	0.2
57.03426	0.5
57.07067	0.7
58.01824	0.2
59.04994	0.8
61.02923	0.8
69.03424	1.9
69.07068	0.2
69.44096	0.6
70.04070	100.0
70.21322	0.1
70.50764	0.2
70.78683	0.1
71.03779	0.2
71.04405	0.5
71.04987	0.2
73.02897	0.2
81.03416	1.0
83.08604	1.1
85.02895	4.9
87.04455	0.2
90.57232	0.2
91.03960	0.3
95.08633	0.2
97.02877	1.9
98.23400	0.3
99.04440	0.4
107.81104	0.1
109.02885	0.6
115.05402	0.3
116.06211	0.4
121.52686	0.1
124.03992	0.3
125.00621	0.3
125.01529	4.8
125.02400	0.3
125.07711	0.1
127.03911	0.8
130.07765	0.3
138.05492	0.7
139.03053	0.7
145.04941	0.5
151.03079	2.3
165.04660	1.3
179.06267	0.3
183.05878	0.1
255.50804	0.2
290.14117	2.0
308.15195	70.2
309.15540	3.1
396.03583	0.2
470.20508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2172
Annotation	CHEBI:66448
Peak:m/z	Relative Intensity
52.06609	0.2
53.03927	0.4
67.05490	0.4
69.35690	0.8
71.05933	0.2
78.03449	1.3
79.04218	0.2
79.05475	0.4
80.05014	3.7
81.07038	0.6
91.05459	0.5
93.07033	2.0
95.04991	0.4
95.08578	0.8
95.32207	0.2
96.04485	2.7
97.02891	0.4
105.07015	0.8
106.02913	3.3
107.08606	1.0
109.06538	0.4
109.10104	0.4
119.08573	1.2
120.13192	0.2
121.06486	0.3
121.10133	2.0
123.73668	0.2
124.03944	100.0
125.02354	0.3
125.04292	1.4
131.08574	0.4
133.10112	0.6
135.08054	0.4
135.11664	0.4
143.08514	0.2
145.10091	1.4
147.04398	0.3
147.11661	0.5
149.09599	0.3
157.10109	0.3
158.10948	0.2
159.11681	0.7
161.13257	0.3
163.11157	0.3
171.11662	0.3
173.09598	0.2
173.13254	0.5
175.11255	0.3
177.12666	0.2
177.16371	1.2
187.14807	2.6
201.12689	0.3
205.15880	2.5
216.15166	0.3
227.14063	0.2
227.17992	0.2
265.16052	0.3
301.18039	0.4
329.17490	0.8
452.20587	0.6
470.21780	5.9
471.22217	0.3
496.19406	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	470.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
52.01895	0.1
53.03937	0.3
58.26776	0.1
62.93081	0.1
67.05495	0.1
67.80004	0.1
68.04999	0.1
69.76593	0.1
69.76934	0.2
78.03452	1.4
79.04208	0.1
79.05460	0.2
80.05013	4.9
81.07044	0.4
82.15278	0.1
91.05416	0.1
93.07031	0.3
95.04961	0.1
95.08591	0.2
96.04490	3.3
101.42490	0.1
105.07027	0.3
106.02905	0.7
107.08578	0.3
109.06530	0.1
109.10117	0.1
117.07009	0.1
119.08575	0.4
121.10131	0.2
123.08073	0.1
124.03945	100.0
125.04298	1.5
129.06956	0.1
131.08572	0.2
133.10141	0.3
135.08078	0.1
140.03410	0.2
143.08571	0.2
145.10115	0.2
147.11693	0.1
149.13306	0.1
155.08524	0.1
157.10136	0.3
159.07954	0.1
159.11739	0.2
161.09674	0.1
165.06987	0.1
167.08534	0.1
169.10110	0.1
171.11650	0.5
173.09703	0.1
173.13312	0.2
175.11188	0.1
177.12822	0.1
181.10083	0.2
183.11731	0.1
185.13272	0.2
187.14847	0.3
193.10133	0.1
195.11670	0.2
197.13225	0.2
199.14833	0.1
205.15828	0.2
207.11703	0.1
209.13345	0.1
211.14845	0.3
215.14249	0.2
221.13283	0.1
223.11058	0.1
223.14806	0.1
236.15582	0.3
237.16348	0.2
239.14392	0.1
251.10469	0.1
254.16566	0.1
271.13354	0.2
275.14398	0.1
292.16949	0.1
293.15341	0.5
301.14392	0.1
301.17831	0.1
303.15909	0.1
311.16455	0.2
319.19119	0.2
329.17419	2.0
347.18524	1.1
374.44241	0.1
411.28613	0.5
452.20688	0.6
470.21713	3.7
471.21997	0.2
471.30832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24092	0.7
53.03947	1.3
55.01862	6.1
55.05494	1.8
57.03435	5.3
61.02927	5.4
67.05503	2.3
69.03419	13.0
69.07054	1.1
69.28920	2.8
70.06586	11.6
71.01353	1.4
71.05000	1.1
72.04523	0.8
72.08127	1.4
73.02912	23.5
79.05478	5.1
81.03423	3.6
81.07051	16.7
83.04958	0.8
83.08616	1.0
83.13734	0.7
84.04488	1.5
84.08148	5.9
85.02902	22.9
86.09687	5.3
87.04462	1.7
91.03974	0.8
93.07044	1.0
95.04963	0.8
95.08606	15.6
97.02888	18.9
97.06525	56.9
98.06809	0.8
98.97553	0.8
99.04445	1.8
99.08050	0.9
100.11226	1.1
103.03944	1.3
105.01859	1.2
109.02877	2.9
110.07162	0.8
111.08092	1.9
115.03908	7.7
116.07050	1.2
120.08081	0.8
121.02882	0.8
123.07162	0.9
123.08059	19.0
123.08909	1.4
127.03906	8.7
129.10228	1.9
130.05003	0.8
133.04947	9.5
141.09091	100.0
142.09445	2.1
143.10655	1.4
143.99860	1.0
145.04936	9.2
147.04401	2.9
148.99686	0.8
150.07607	1.0
159.10158	28.4
163.06030	2.5
169.12209	1.7
183.14885	1.3
217.07143	0.8
223.06039	2.0
227.10310	1.0
227.17473	0.9
229.15372	1.0
241.07159	1.6
259.08142	2.4
355.27014	1.6
389.74466	0.8
434.16928	0.9
452.17850	2.0
470.17038	4.1
470.23343	1.4
470.37543	0.9
471.14651	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	470.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27493	1.0
53.03939	1.7
55.01875	1.7
55.05511	7.0
57.03426	4.5
61.02922	6.7
63.90732	1.1
69.03428	12.0
69.06710	2.2
69.07067	34.6
69.35416	1.0
71.04979	4.8
72.83171	1.2
73.02917	2.7
81.03426	7.3
81.07066	1.4
85.02902	100.0
87.04471	2.4
89.03928	2.8
89.97311	1.0
91.03961	3.7
97.02892	21.8
99.04443	2.3
109.02876	7.7
111.11713	16.9
117.03422	2.7
125.27148	1.1
127.03910	23.3
129.05478	1.2
135.04393	6.2
145.02838	4.0
145.04953	39.4
163.03914	30.8
163.05995	18.2
266.79520	1.1
286.62280	1.2
293.04221	1.3
294.04443	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	470.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21828	0.5
55.05505	2.4
57.07061	0.9
67.05495	5.7
69.07069	2.6
70.55966	0.9
78.03443	1.5
79.05489	7.2
80.05016	3.6
80.19421	0.5
81.07053	8.5
83.08596	0.8
85.10194	0.5
85.58518	0.5
89.06046	1.2
91.05466	5.0
93.07037	11.6
95.04972	1.2
95.08601	12.6
96.04501	3.5
98.18799	0.6
102.23099	0.5
105.04517	0.8
105.07026	11.0
106.02916	4.3
107.08586	7.7
109.06512	0.9
109.10153	13.4
113.93674	0.6
117.07031	1.5
118.28413	0.6
119.08571	10.3
121.10134	20.5
122.10477	0.6
123.11694	1.5
124.03946	100.0
125.04289	2.0
127.01506	0.6
129.07040	0.7
131.08548	4.4
133.10117	4.5
135.11685	4.3
142.07802	0.7
143.08580	3.0
145.10106	4.5
147.11676	5.0
149.13260	1.6
156.09305	0.6
157.10098	2.8
159.11719	5.3
161.13272	4.7
162.13550	0.5
163.14815	1.2
171.11668	1.8
173.13255	4.9
175.14862	2.0
177.16339	0.6
185.13264	3.0
185.73218	0.5
187.14809	2.8
189.16351	5.2
190.08644	1.5
194.13245	0.5
199.14810	2.9
201.16309	1.7
203.17914	1.9
211.51402	0.6
213.16345	3.3
227.17883	2.5
269.22650	8.1
287.23633	0.8
290.17419	0.6
298.17920	1.0
316.18988	0.8
337.20782	0.6
392.25854	8.1
393.26013	1.0
410.26950	3.5
452.27747	0.6
470.28931	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	471.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.05494	4.5
57.03431	7.4
57.07062	1.7
59.05007	9.0
61.02913	1.8
67.05504	3.6
69.03423	13.3
69.07088	1.5
70.03784	1.3
70.06597	12.8
71.04991	30.6
79.05507	1.8
81.03410	8.3
81.07041	6.6
82.07849	5.0
83.04990	13.5
83.08626	3.7
84.04498	2.0
85.02901	49.7
85.06523	2.5
86.09700	7.6
86.21931	1.6
87.00846	8.1
87.04481	1.9
89.03912	6.3
91.05460	3.4
93.07059	1.8
95.04964	1.9
97.02892	10.7
97.06512	1.6
99.04465	3.3
101.06019	5.7
105.01852	8.5
105.07050	2.3
107.04935	3.5
107.08607	3.1
109.02890	6.5
111.04401	2.3
112.07613	2.0
117.03368	7.7
119.04956	4.6
119.08624	2.3
123.04445	2.0
123.11707	19.6
125.09637	5.3
127.03911	12.6
129.05482	9.9
132.06648	2.0
135.04410	14.6
135.82806	1.5
136.07730	1.5
138.05498	5.8
138.68245	1.4
143.10667	9.3
144.08073	3.0
145.02826	8.5
145.04999	3.2
147.04385	10.7
158.09656	4.5
159.02898	1.6
163.03891	88.5
165.05386	1.7
177.05423	2.5
181.04936	3.0
186.09108	3.3
188.12816	9.2
204.10205	3.7
206.13971	2.3
209.96133	1.5
229.15565	3.7
231.05000	6.2
249.05917	2.8
257.58615	1.8
291.08667	1.7
291.14685	1.8
309.00650	3.4
309.09937	1.7
325.09128	4.4
327.01877	5.2
345.02789	41.7
363.03693	9.0
385.30551	2.0
471.06845	100.0
471.35577	2.4
472.07037	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	471.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95338	3.2
70.06592	32.6
71.06930	5.2
71.42747	3.9
72.08161	6.0
84.04527	8.6
84.08144	11.6
85.02882	7.4
86.09720	18.2
98.97626	4.5
110.07172	9.2
116.07066	5.0
129.10251	7.2
146.86916	3.2
147.04457	5.1
151.03877	6.3
155.08130	3.6
162.85503	3.8
167.07098	4.6
200.13928	5.5
218.99921	4.3
219.01811	5.0
244.16713	4.1
266.70898	3.5
356.18820	3.9
385.08078	4.1
427.09778	14.0
471.08914	100.0
471.14938	22.6
472.14362	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	471.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
60.39712	1.2
61.98592	1.0
69.03427	1.1
69.07100	1.2
70.02068	1.5
70.02401	2.5
70.06592	7.4
72.08144	1.8
83.08624	1.1
84.08127	3.5
86.09692	3.2
98.22627	0.9
100.11244	7.4
110.07152	2.0
114.09171	1.7
121.06504	1.0
129.10199	2.0
147.04419	3.7
172.90204	1.1
182.15381	1.3
209.16519	1.1
210.14827	3.1
224.52147	0.9
227.17464	1.1
238.70238	1.1
244.12872	1.1
443.14407	1.2
470.37054	10.2
471.14584	100.0
471.37241	4.5
472.14874	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05502	1.1
57.03436	5.6
59.04998	0.9
69.03422	1.5
69.25854	2.0
71.01350	0.6
71.04991	31.1
72.72332	0.5
73.02908	1.3
73.03569	0.5
75.04461	1.7
79.05487	1.1
81.03402	1.6
83.04979	3.5
85.02901	33.1
87.04472	1.6
89.03904	6.1
93.49679	0.5
95.04933	0.7
97.02887	3.9
99.04456	1.1
107.04958	1.9
109.02869	1.1
109.10239	0.4
111.04435	2.2
117.03382	8.6
121.09970	0.5
123.04427	1.4
127.03909	1.8
129.05478	7.9
131.04919	2.0
135.04410	15.2
145.02849	11.0
147.06544	1.0
151.03867	0.5
160.11160	0.7
160.40475	0.5
163.03894	100.0
164.04237	1.4
165.05484	1.4
177.05440	0.6
181.04948	1.2
191.03430	0.6
223.13142	0.5
273.07562	0.8
307.08087	1.3
309.09653	1.0
325.09103	3.3
348.69070	0.5
363.59558	0.5
370.71948	0.7
394.12799	0.8
406.24368	0.5
471.14676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68240	0.6
53.03931	1.1
55.05509	0.8
55.75225	0.7
57.03433	6.7
69.03407	2.3
71.01343	1.0
71.04989	30.9
73.02881	0.9
75.04475	1.4
80.00838	0.6
81.03394	1.3
82.09946	0.6
82.49420	0.6
83.04966	2.0
85.02899	37.5
87.04443	0.8
89.03900	5.9
95.04936	1.1
97.02879	4.0
99.04419	1.1
103.40547	0.6
107.04943	1.4
109.02838	1.1
111.04434	1.6
117.03369	7.4
123.04393	1.8
125.74918	0.8
127.03947	1.3
129.05461	7.8
135.03467	1.3
135.04414	13.6
145.02853	10.5
154.13696	0.7
163.03888	100.0
164.04251	2.1
165.05470	1.6
178.32381	0.6
181.04910	1.4
215.32164	0.7
307.08038	1.4
325.09204	4.2
367.52545	0.7
417.55057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68240	0.6
53.03931	1.1
55.05509	0.8
55.75225	0.7
57.03433	6.7
69.03407	2.3
71.01343	1.0
71.04989	30.9
73.02881	0.9
75.04475	1.4
80.00838	0.6
81.03394	1.3
82.09946	0.6
82.49420	0.6
83.04966	2.0
85.02899	37.5
87.04443	0.8
89.03900	5.9
95.04936	1.1
97.02879	4.0
99.04419	1.1
103.40547	0.6
107.04943	1.4
109.02838	1.1
111.04434	1.6
117.03369	7.4
123.04393	1.8
125.74918	0.8
127.03947	1.3
129.05461	7.8
135.03467	1.3
135.04414	13.6
145.02853	10.5
154.13696	0.7
163.03888	100.0
164.04251	2.1
165.05470	1.6
178.32381	0.6
181.04910	1.4
215.32164	0.7
307.08038	1.4
325.09204	4.2
367.52545	0.7
417.55057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96806	0.4
53.03958	0.5
55.01857	0.4
55.05517	0.4
57.03432	2.3
63.02371	0.3
69.03427	1.2
69.98026	1.0
71.01324	0.3
71.04992	15.2
72.27671	0.3
73.02925	0.4
75.04458	0.7
77.15438	0.3
79.05483	1.0
81.03417	1.8
83.04978	1.2
85.02902	19.3
87.04453	0.4
89.03910	5.9
97.02882	1.1
99.04453	0.7
107.04944	1.4
109.02868	0.7
111.04435	1.4
117.03372	7.1
122.78419	0.3
123.04430	0.8
127.03915	1.2
129.05447	4.5
135.04410	14.7
145.02850	10.1
145.04805	0.3
147.06471	0.8
151.03914	0.4
163.03894	100.0
164.04251	2.8
165.05498	0.9
177.05495	0.3
181.04979	0.9
191.03415	0.5
195.25937	0.3
217.05124	0.3
224.79201	0.4
237.07536	0.4
265.06836	0.4
273.07605	0.5
307.08084	3.0
309.09772	1.0
325.09219	1.0
327.86417	0.3
441.44531	0.3
471.14563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58481	0.6
53.03930	0.8
55.01868	0.5
55.05512	0.6
57.03434	5.5
59.29517	0.6
68.80491	0.5
69.03423	1.7
71.04990	29.0
73.02887	0.6
74.74170	0.6
74.90054	0.5
75.04468	1.5
79.05489	0.8
79.15448	0.5
81.03400	1.9
83.04982	1.9
85.02901	34.7
87.04468	1.4
89.03901	5.4
97.02896	3.7
99.04451	0.9
107.04945	1.9
109.02871	1.2
111.04446	1.7
117.03378	7.3
117.22264	0.5
123.04434	1.4
127.03906	1.9
129.05475	8.1
131.04910	2.6
135.04410	13.7
145.02847	9.5
145.04897	0.6
147.06493	1.0
163.03896	100.0
164.04199	1.8
165.05452	1.5
181.04935	2.0
196.28836	0.6
235.20650	0.6
258.03976	0.8
264.41510	0.6
273.07465	1.3
307.08133	0.9
309.09695	1.3
319.08978	0.6
325.09082	4.1
394.12738	1.5
471.15417	1.0
488.33548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.60781	1.0
55.01867	2.0
55.05506	12.2
65.03928	1.2
67.05501	7.1
69.03425	36.0
69.07068	1.6
71.04971	0.9
79.05482	6.0
81.03408	18.6
81.07059	7.2
82.05412	1.0
83.04978	29.3
85.56381	1.1
91.05476	15.4
93.07056	6.4
95.04971	8.8
95.08614	5.4
96.10927	1.0
97.06527	2.1
103.05502	1.4
105.07021	16.4
107.04951	1.5
107.08582	6.5
108.24540	1.1
109.06535	4.8
109.99221	0.9
111.04436	59.7
111.08199	1.1
115.05431	1.9
117.07015	11.2
119.05031	1.3
119.08572	15.3
121.06472	2.2
121.10119	2.1
123.04456	1.3
123.08062	3.6
124.03983	1.3
128.06248	3.2
129.06982	8.0
130.07785	1.2
131.04929	1.0
131.08553	29.7
133.06499	2.2
133.09300	1.0
133.10075	4.7
135.08049	2.8
135.11670	1.3
141.07016	4.5
142.07736	5.1
143.08559	12.1
144.09357	1.9
145.06490	3.1
145.10109	24.5
147.08028	3.7
147.11673	2.7
149.09642	1.8
149.13167	1.2
153.06966	2.3
154.07733	1.1
155.08553	10.1
156.09361	4.4
157.10106	13.5
158.10942	4.8
159.08040	3.2
159.11656	9.1
160.12076	0.9
161.09627	2.9
161.13275	2.3
163.14787	1.4
165.06969	2.5
165.09160	2.8
166.07744	1.6
167.08551	3.9
168.09297	4.5
169.06538	1.9
169.10107	5.2
171.08043	1.8
171.11699	10.8
172.90401	1.0
173.09608	4.4
173.13249	59.0
174.13629	2.5
175.11218	3.1
177.12721	2.3
178.07729	1.5
179.08614	4.1
180.09447	1.3
181.10132	6.2
182.10846	1.2
183.08107	2.2
183.11696	11.0
185.09596	1.9
185.13240	3.4
189.12726	9.1
191.10617	4.9
191.14301	2.9
192.09300	1.2
193.08624	1.3
193.10114	4.9
194.10870	1.0
195.08064	1.4
195.11650	4.9
197.09599	1.5
197.13199	4.9
199.11163	3.0
201.12756	12.9
203.14386	2.2
207.11684	2.4
209.09610	2.5
209.13245	2.1
211.11182	2.8
213.12729	1.3
215.14143	1.2
217.10165	1.4
217.12172	2.3
219.11728	1.4
219.13744	18.6
221.13248	3.8
223.11142	2.3
223.14748	1.1
225.12749	1.6
229.12193	2.0
232.12723	1.5
235.14856	1.6
237.12805	1.4
237.16498	2.3
239.14259	1.6
241.12231	2.1
247.13094	2.3
247.15219	1.6
255.17513	1.0
261.15002	1.9
265.15927	5.8
278.73557	1.0
283.16953	3.6
293.15356	1.7
311.16360	8.1
323.16235	2.8
329.17426	6.3
330.17770	1.3
347.18542	4.6
389.19543	100.0
390.19827	6.5
411.17679	6.5
471.19861	85.6
472.20160	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	471.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
55.05496	2.5
59.05002	1.9
59.56389	1.2
62.33630	1.2
65.03940	2.4
67.05484	4.5
69.03420	3.6
69.07053	2.6
69.73164	4.1
70.18239	1.4
72.08181	1.2
79.05503	7.1
80.05016	1.7
81.03398	1.5
81.07044	3.8
83.04968	2.8
85.47408	1.1
86.09690	4.8
87.04461	4.5
89.06005	2.4
91.05476	16.9
93.07044	8.3
94.06560	5.2
95.04954	5.6
95.08588	4.2
96.04498	1.6
97.02888	3.9
97.06515	2.7
98.23360	1.4
103.05469	1.9
105.03387	1.5
105.07010	10.1
107.04921	4.3
107.08603	7.6
109.06506	3.9
109.10146	2.6
110.06033	2.9
111.08070	3.9
115.05437	2.2
117.07012	4.7
119.04929	3.1
119.08574	20.3
121.02863	7.5
121.06489	5.3
123.04405	4.5
123.08064	7.5
124.03109	1.9
124.03948	26.4
124.04774	2.5
125.04272	8.2
125.05965	3.1
127.01553	3.0
128.06224	1.8
129.07001	2.8
131.04893	2.0
131.08557	6.7
133.06497	15.7
133.08563	1.4
135.07985	3.6
138.05495	100.0
139.04903	2.0
139.05856	30.0
141.06987	4.4
143.08611	2.5
145.06467	3.0
147.04413	4.6
147.08049	18.0
149.02339	26.2
149.05977	16.1
149.09618	1.9
151.03905	2.4
151.07542	3.0
153.03146	2.6
153.06969	1.9
157.06494	3.4
159.08020	3.1
160.05156	6.5
161.05972	22.4
163.03888	4.9
165.07071	1.2
165.09055	7.3
167.07036	2.0
169.06476	1.8
169.08704	1.6
169.10123	1.7
171.08002	2.0
173.05963	2.6
174.06696	1.7
175.07539	11.7
177.05464	12.0
177.08986	2.4
181.06511	2.1
187.07506	5.6
189.09091	17.5
191.07028	7.6
193.08592	24.6
193.10178	2.4
197.05942	1.4
199.07529	3.4
201.09082	4.5
203.07002	3.6
205.08633	4.3
211.07634	1.7
211.09625	13.6
213.09012	1.8
215.07007	28.5
215.10542	2.7
217.08554	6.8
219.10127	4.3
221.08186	7.7
225.09222	1.5
225.16252	1.3
231.08150	1.6
233.11647	2.1
239.06947	2.5
239.09084	30.6
240.09515	1.7
241.08331	1.9
243.06436	1.8
247.07492	1.9
249.09038	1.4
251.10715	1.6
261.09100	2.7
262.09796	2.6
263.07007	3.7
263.10605	2.7
264.07764	1.7
264.11371	1.3
267.06256	1.6
269.08026	2.7
273.08951	1.9
274.10007	2.7
275.07663	1.4
275.10666	3.6
276.11234	1.6
277.08548	1.7
279.06577	1.3
279.09967	1.6
288.11490	2.3
289.08710	2.4
289.12180	2.7
290.09409	3.1
291.06461	3.7
291.10101	5.4
291.13318	2.0
292.07440	1.5
292.10809	3.2
295.09665	2.1
302.09299	1.3
303.10318	2.2
303.13766	4.4
305.08142	2.5
307.06049	20.1
307.09567	2.9
308.06720	1.4
309.16049	1.3
316.10843	2.0
317.11844	2.0
317.15265	3.8
318.08813	1.7
319.09586	3.7
319.13199	7.8
320.10349	5.3
320.13873	2.3
321.11276	2.2
321.14789	8.4
329.11884	1.8
331.13138	2.0
334.12000	4.6
335.16348	2.4
336.09848	4.5
337.10355	1.9
337.14276	3.2
345.14981	2.9
347.12973	6.7
347.16367	1.6
349.14114	5.9
363.11929	1.4
363.15900	14.4
365.13754	4.8
365.17755	1.7
372.90799	1.4
373.14169	3.7
380.12616	10.6
381.17059	2.8
389.17340	1.4
391.15359	71.5
392.15738	3.1
407.18283	2.7
409.16455	24.2
417.17007	2.9
427.18109	2.0
435.17914	11.2
453.19043	11.1
470.25388	1.6
471.19913	15.5
471.25922	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	471.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95178	1.1
54.10286	1.1
55.01889	1.4
55.05507	3.4
57.84871	1.2
65.03965	2.1
67.05506	7.1
69.07056	2.6
71.31603	1.5
79.05493	8.8
80.05018	1.4
81.07056	5.7
84.49554	1.1
89.65163	1.4
91.05474	13.8
93.07038	5.6
95.04981	2.0
95.08620	5.1
97.06489	6.2
105.07040	4.1
107.08604	3.4
109.06511	1.7
109.10148	3.9
117.07001	1.2
119.04937	17.5
119.08594	4.2
120.54964	1.2
121.02873	1.5
121.06524	5.8
123.04420	2.3
123.08042	1.7
124.03935	23.2
127.01523	1.4
129.07007	2.7
131.08603	2.5
133.06497	1.4
135.04408	1.9
135.07985	1.5
135.11719	1.8
137.09656	1.8
141.07007	1.5
142.07661	1.3
143.08633	1.3
145.10155	2.6
146.83395	1.4
147.04401	100.0
148.04791	1.6
149.02351	2.2
149.05968	2.5
149.09583	1.6
151.03885	1.7
155.08502	2.0
155.83604	1.3
157.06499	1.8
159.04498	1.8
159.11812	1.2
161.05986	1.7
163.03928	2.7
163.11151	2.7
165.07079	1.2
165.09091	1.8
167.03381	3.2
167.08620	1.5
171.11607	1.5
173.05957	1.3
173.13246	1.8
175.03966	2.7
177.05498	1.8
193.08601	3.4
201.05396	1.7
203.03333	2.3
203.07062	2.0
211.09723	2.0
221.09966	1.4
239.09119	5.2
259.13425	2.6
261.49200	1.3
269.11765	3.0
277.14413	1.8
287.12650	10.3
305.13928	12.8
326.49097	1.3
331.15387	5.6
333.13254	14.0
407.18445	3.1
425.19507	7.2
432.93536	1.4
435.18060	3.4
443.20682	7.6
453.19083	6.0
472.23453	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2012
Annotation	Zapoterin
Peak:m/z	Relative Intensity
55.01873	2.1
55.05498	2.4
65.03942	1.3
67.05521	6.6
68.99751	1.5
69.03416	1.7
69.07066	4.4
69.68324	3.1
69.68683	2.8
70.04076	1.8
78.44887	1.4
79.05485	14.6
81.03439	1.6
81.07048	6.8
83.04980	3.0
83.08620	1.4
87.04440	2.0
91.05486	20.3
93.07049	12.4
95.04974	6.8
95.08601	7.2
97.02880	3.1
97.06526	33.0
101.06023	3.5
105.03432	1.7
105.07040	10.1
107.04958	5.1
107.08577	6.7
109.06525	4.4
109.10147	4.0
111.04426	1.5
111.08097	4.1
117.07030	2.8
119.04939	16.4
119.08580	18.7
121.02859	4.9
121.06529	6.7
121.10116	2.0
123.04425	5.9
123.08053	7.2
124.03949	18.1
125.04305	2.8
125.09663	2.4
127.01582	1.8
128.06221	1.5
128.37517	1.2
129.06981	2.9
131.08571	4.2
133.06476	8.4
133.10114	1.9
135.04402	1.8
135.08018	2.7
135.11780	1.8
137.02390	2.0
137.05965	2.9
137.09642	2.1
145.06456	1.9
145.10126	1.6
147.04402	100.0
147.08029	10.0
148.04784	2.7
149.02328	3.6
149.05972	13.0
149.09641	2.6
151.03903	4.2
151.07550	3.5
155.08571	1.3
157.06520	2.4
157.10153	1.6
159.08044	5.2
161.02271	1.6
161.05963	5.7
163.03932	3.9
163.11166	2.2
165.01880	1.6
165.09135	7.7
167.03381	2.1
167.07085	2.1
173.02289	2.9
173.09651	2.4
175.03629	1.5
175.07527	9.7
179.06979	1.7
179.53299	1.4
187.07547	10.2
189.05429	1.5
191.07005	1.4
193.08595	24.2
193.10129	1.3
199.07605	1.6
201.09163	1.8
203.06995	9.8
204.38321	1.4
211.07872	1.6
211.09578	7.9
215.07019	2.7
215.10483	2.6
219.10150	4.4
221.08041	6.9
233.11691	6.0
239.09108	48.6
240.09579	1.8
241.12221	1.7
247.09612	2.7
249.09091	3.2
251.10681	2.6
255.06317	2.0
259.09653	5.4
262.90408	1.3
267.10040	1.7
269.11594	2.1
277.08456	2.4
279.10135	3.6
287.12711	3.1
295.09506	3.4
303.13712	1.6
305.13950	3.3
309.15265	1.6
331.15393	4.1
333.13339	5.3
339.12274	3.8
365.17532	1.9
365.30307	1.4
375.15875	2.4
379.15051	5.7
381.17065	3.3
391.15506	6.9
407.18344	3.2
409.16165	1.9
417.16837	3.6
425.19574	4.4
435.18060	20.7
443.19992	2.7
453.19061	38.7
454.19437	3.0
471.08792	2.1
471.19897	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.1
54.86740	5.7
55.05502	14.2
57.03413	8.5
59.05003	36.0
61.02927	12.5
67.05496	19.0
69.03423	35.7
69.07054	8.3
70.06586	26.3
70.93101	9.1
71.04985	8.7
72.08160	19.5
79.05480	8.2
79.67390	6.0
81.03413	28.4
81.07037	21.1
82.07823	22.6
83.04983	54.9
83.08598	24.3
85.02892	56.7
85.06538	18.0
86.06053	7.0
86.09695	50.4
87.00834	34.7
87.04468	15.9
88.03980	6.5
89.14616	5.7
91.05477	8.5
95.04969	7.1
95.08603	9.1
97.02894	33.7
99.04468	15.2
101.06001	18.2
101.17004	6.3
105.01864	45.3
107.08598	13.0
109.02859	29.2
109.10128	6.9
112.07600	22.1
116.07079	6.8
119.04941	23.6
121.02849	18.6
123.11697	100.0
125.09624	32.6
127.03939	46.2
132.06555	8.5
143.10681	33.4
145.04956	28.5
147.04395	80.9
157.12242	9.1
165.09155	9.1
170.11754	10.8
185.04118	7.3
188.12883	49.1
206.13901	11.9
231.05035	25.8
255.06488	14.8
267.10184	24.6
283.09473	11.9
291.08646	20.2
307.47589	6.4
309.03656	26.4
309.09647	13.4
345.02972	10.2
370.14642	11.3
392.14847	6.9
471.07651	30.4
471.17493	30.8
471.22842	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49232	0.6
57.03432	0.8
69.03430	1.2
70.66003	1.2
71.04980	4.8
72.84863	0.5
81.07045	1.2
85.02898	5.0
89.03920	1.9
91.14644	0.5
93.91275	0.5
97.02894	1.7
101.49506	0.5
117.03369	2.5
129.05466	0.7
130.04988	0.8
131.72040	0.7
135.04390	1.8
138.05518	0.8
145.02849	3.8
149.05922	0.9
155.03185	1.2
163.03889	15.6
165.09024	0.6
171.31303	0.6
172.57939	0.6
177.05429	4.9
187.12733	0.5
201.03734	1.9
203.05267	1.6
275.07388	2.5
318.10312	0.6
325.09357	0.8
333.07886	66.4
334.08228	1.7
335.09457	31.8
336.09857	1.3
471.21997	100.0
472.22498	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49232	0.6
57.03432	0.8
69.03430	1.2
70.66003	1.2
71.04980	4.8
72.84863	0.5
81.07045	1.2
85.02898	5.0
89.03920	1.9
91.14644	0.5
93.91275	0.5
97.02894	1.7
101.49506	0.5
117.03369	2.5
129.05466	0.7
130.04988	0.8
131.72040	0.7
135.04390	1.8
138.05518	0.8
145.02849	3.8
149.05922	0.9
155.03185	1.2
163.03889	15.6
165.09024	0.6
171.31303	0.6
172.57939	0.6
177.05429	4.9
187.12733	0.5
201.03734	1.9
203.05267	1.6
275.07388	2.5
318.10312	0.6
325.09357	0.8
333.07886	66.4
334.08228	1.7
335.09457	31.8
336.09857	1.3
471.21997	100.0
472.22498	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	471.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20209	0.5
56.96550	0.6
57.03426	0.9
57.07065	0.6
59.44275	0.7
60.28651	0.5
67.05494	2.2
69.07059	1.6
69.16705	4.0
69.61994	0.5
73.28326	0.6
78.03448	0.6
79.05492	1.8
80.05004	1.6
81.07054	2.7
89.06069	0.7
91.05467	1.8
93.07045	2.6
95.04950	0.8
95.08614	3.2
96.04469	0.8
98.22709	1.4
98.98459	1.7
102.43217	0.5
103.74295	0.6
105.03402	2.9
105.03976	0.6
105.07028	3.9
105.86199	0.6
106.02898	1.2
106.03683	1.0
107.08597	1.9
109.10123	1.4
119.08546	3.4
121.10174	2.1
124.03938	27.4
125.03484	1.1
125.04270	6.6
131.08575	1.8
133.10129	2.0
135.11719	0.7
136.93100	1.4
136.99968	1.6
139.03676	0.8
143.08502	0.9
145.10155	1.1
147.11696	1.1
149.13269	0.6
154.94196	2.6
155.01074	1.0
155.08533	0.6
157.10092	0.8
159.11743	1.6
161.13264	0.8
165.09135	0.9
171.11642	1.3
172.95213	3.4
173.13234	0.8
185.13293	0.6
187.14973	1.0
190.96317	2.1
199.14862	0.6
210.96823	1.2
228.97832	1.3
237.16319	0.7
270.22955	0.7
317.17911	2.5
335.19159	1.4
335.25443	0.9
355.18768	69.3
356.18939	4.0
406.55505	0.7
411.28586	2.4
415.32642	0.8
423.01675	0.7
453.17261	2.9
471.18375	3.7
471.23575	100.0
471.30472	7.0
472.23941	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	471.2355
Annotation	acetyl-andilesin A
Peak:m/z	Relative Intensity
55.05499	1.1
56.61793	0.7
67.05522	1.2
69.03435	4.4
69.07065	0.8
69.78308	2.3
79.05512	0.6
81.03428	1.8
81.07059	1.1
82.39734	0.6
83.04980	1.9
91.05463	1.3
93.07056	1.5
95.08637	1.2
105.07059	1.8
107.08595	1.4
111.04422	3.6
119.08578	1.3
131.04924	1.4
131.08578	1.7
143.08556	1.0
145.10161	2.2
157.10188	1.3
159.11732	1.0
173.13414	0.7
187.14851	2.0
193.37764	0.7
243.14540	0.6
248.04744	0.6
337.17789	0.7
411.21521	5.4
411.28397	3.8
471.23651	100.0
471.30786	18.8
472.24014	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	471.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07962	5.3
56.09900	5.7
57.07067	7.3
62.17520	5.2
69.40986	10.1
69.41380	16.2
72.61098	5.4
78.78372	5.3
89.06012	16.7
119.08559	8.2
119.93320	5.4
162.67276	5.9
193.47238	5.6
268.91827	6.3
307.29709	6.1
471.28647	100.0
472.28946	6.4
480.07404	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	471.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
57.07064	0.6
61.52707	0.4
67.05499	1.1
69.07047	1.4
69.72184	1.5
69.72523	0.5
78.07830	0.4
79.05479	1.5
81.07045	2.1
81.62615	0.5
82.98655	0.5
83.05000	0.6
89.06017	1.3
91.05473	1.1
93.07040	2.2
95.04941	0.8
95.08608	0.6
105.03384	1.7
105.07025	1.2
107.08597	1.4
109.10185	0.6
117.06928	0.6
119.08566	1.5
121.10143	0.7
124.03931	2.7
126.42123	0.4
129.09145	0.8
131.08562	0.8
133.10132	0.9
135.11752	0.5
143.08583	1.0
145.10092	2.0
157.10121	1.8
159.11702	1.5
169.10135	0.8
170.10765	0.7
171.11716	1.7
171.15677	0.5
181.10126	0.7
183.11688	0.8
185.13205	1.7
186.14005	0.6
195.11716	1.6
197.13290	0.6
199.14879	0.6
209.13324	0.8
219.36072	0.5
237.16373	1.5
251.17992	0.6
284.28009	0.5
297.18552	1.1
315.19534	12.8
349.77255	0.5
355.18842	3.0
411.28644	18.7
412.29010	1.2
455.66922	0.5
471.23373	8.1
471.30722	100.0
472.24875	0.9
472.31143	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	471.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
67.05491	0.4
69.66722	0.5
69.67099	0.5
71.33340	0.3
71.71574	0.3
79.05460	0.5
81.07043	0.9
83.04971	0.8
91.05477	0.5
93.07040	0.4
95.08562	0.3
98.23467	0.4
105.07020	1.3
107.08573	0.3
119.08614	0.3
123.04288	0.3
145.10121	0.3
150.06566	0.4
161.05946	0.7
178.06291	0.7
193.08493	0.6
233.98021	0.3
250.10669	0.4
267.34232	0.3
365.68713	0.3
371.25491	0.3
411.28659	26.7
412.29138	1.6
471.30753	100.0
472.24603	0.3
472.31122	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	471.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06215	0.5
69.71305	1.5
75.30639	0.5
75.99324	0.6
93.07037	0.8
93.10162	0.5
105.07030	0.6
124.03953	2.2
125.04330	0.9
140.73012	0.5
212.28006	0.5
411.28683	16.8
412.29208	1.2
471.30814	100.0
472.31216	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	471.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88251	0.5
55.13048	0.4
67.05470	0.6
69.60123	1.9
71.62574	0.5
79.05476	0.5
81.07041	1.0
91.05468	1.0
93.07046	0.7
95.04987	0.7
105.07072	0.6
127.59971	0.5
130.83170	0.5
132.49365	0.5
144.22424	0.5
343.22409	1.0
411.28647	22.8
412.29010	1.7
432.86630	0.5
471.30774	100.0
472.31177	7.8
474.99319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.8
57.07075	0.6
58.06594	0.5
67.05493	0.7
69.07065	0.5
70.06585	2.2
71.12257	0.5
81.07030	0.8
82.06570	1.9
83.04971	1.4
83.08614	10.0
84.08115	0.8
85.02918	0.7
85.06528	0.6
98.00328	0.4
98.09687	2.1
100.07619	4.9
100.11249	77.0
101.11604	1.4
110.06018	0.9
111.04435	5.5
112.07589	1.4
117.13890	1.7
126.09144	1.2
127.08668	1.1
128.07062	5.2
129.05522	0.6
131.04909	0.8
139.08661	1.3
140.07047	2.1
145.76482	0.4
147.04399	0.7
147.11661	0.8
149.13144	0.5
151.03918	0.9
153.51534	0.3
157.01561	0.3
163.03891	0.9
166.16025	0.6
168.13797	0.6
182.15393	19.8
183.15704	0.7
192.13791	1.0
209.14485	0.7
209.16479	12.4
210.14876	22.1
211.15222	0.6
226.19107	1.9
227.17543	3.3
228.15918	2.3
245.18628	2.3
326.28006	1.2
336.22760	0.7
337.21222	1.0
343.30624	1.4
355.22137	0.5
377.17496	0.4
435.33334	0.9
453.34436	3.4
471.35397	100.0
472.35727	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	472.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87482	1.3
54.03463	2.5
61.46756	1.3
61.91149	1.3
68.99788	4.6
70.32793	1.6
71.43153	1.6
81.07087	1.9
82.95992	1.4
91.05487	3.6
92.99770	1.6
98.37952	1.5
103.05463	16.1
105.03394	5.7
105.07032	1.7
110.02409	2.1
110.43883	1.5
115.05444	25.0
119.08561	2.2
120.32133	1.5
121.36308	1.5
131.04924	43.6
138.01859	22.0
142.04152	3.6
142.06508	10.9
147.11703	1.6
148.00301	2.9
156.02888	1.9
166.01352	31.3
167.02130	11.0
168.02989	1.7
168.08119	1.5
170.03590	1.8
170.05995	11.0
178.01286	2.5
184.02429	9.7
185.03206	6.5
188.04652	2.7
189.16486	1.8
192.02951	3.6
194.00853	1.6
194.05865	2.0
196.07449	1.8
198.05522	4.7
199.04007	1.6
205.49356	1.6
212.06937	3.1
216.06354	1.6
222.00397	7.0
222.05307	1.8
224.06909	1.6
225.05417	14.3
226.04993	8.4
236.01903	3.6
236.07051	3.0
238.05020	7.5
240.01454	7.2
240.06564	5.3
242.08145	7.2
249.99901	3.7
252.06627	5.4
256.06128	3.1
268.00812	15.8
268.05872	2.7
270.07614	19.5
271.08401	10.1
278.16418	1.6
280.06046	67.9
281.06772	3.4
290.04669	2.7
292.06030	4.4
294.03891	4.4
298.07034	2.6
299.28409	1.6
308.05560	19.9
309.06369	4.2
312.05106	3.8
326.06451	13.1
327.07385	2.4
336.05020	13.0
340.08157	2.9
354.06049	15.9
368.07632	16.7
384.12219	10.3
412.11801	24.8
413.12283	2.6
440.11292	21.9
454.12878	2.2
471.35828	7.9
472.13925	100.0
472.35468	3.0
473.14410	5.2
490.06030	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	472.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01861	2.9
55.05513	19.4
56.05838	1.9
57.03436	6.2
59.46775	1.4
61.02916	2.6
69.03429	39.2
70.06586	3.7
71.04990	2.6
81.03417	14.9
82.06590	1.8
83.04981	5.8
83.08617	13.4
84.08134	2.4
84.08929	1.7
85.02898	55.9
85.21452	1.6
87.00821	21.3
87.04476	10.9
97.02890	34.1
97.03493	2.6
98.09696	2.2
99.04443	9.9
100.07624	6.4
100.11251	100.0
101.11584	10.7
103.03941	2.2
103.05469	2.5
105.01862	35.9
105.02530	2.4
109.02885	15.6
110.06078	1.8
111.04411	8.1
112.07613	2.2
115.03944	12.4
117.13894	2.2
121.02932	1.7
126.09196	1.8
127.03905	42.9
128.07080	6.3
131.04944	4.8
133.04979	9.7
137.05843	1.5
139.08669	2.7
140.07059	3.4
145.04939	14.3
150.07634	5.2
151.03903	4.6
159.02925	5.7
177.05556	2.1
182.15411	20.7
183.15732	5.2
189.03867	2.3
192.13831	2.1
195.02859	2.1
205.04956	1.6
209.16411	12.3
210.14919	27.3
210.16797	4.1
211.15297	5.2
226.18925	1.8
227.17558	2.7
228.15987	3.4
231.04991	15.3
241.07130	2.1
245.18730	1.9
249.06136	3.1
327.07028	3.0
345.08047	3.9
355.22321	1.8
411.47974	1.6
453.34293	3.6
471.35403	80.8
472.35703	73.9
473.36740	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21579	0.1
52.92838	0.1
53.03945	0.2
53.80035	0.1
69.03423	0.2
69.38206	0.2
69.38596	0.3
70.04076	9.0
71.04410	0.2
78.03441	0.5
79.05494	0.1
80.05020	3.4
81.03422	0.1
81.07051	0.1
82.92047	0.1
85.02903	0.5
93.07037	0.1
96.04487	2.7
97.02917	0.2
98.22701	0.2
105.06996	0.1
106.02898	0.1
113.53171	0.1
117.10539	0.1
119.08572	0.3
124.03947	100.0
125.03558	0.1
125.04298	1.6
127.01250	0.3
140.03416	0.2
145.04869	0.1
145.10129	0.1
153.02806	0.1
165.09102	0.3
185.13275	0.1
292.14066	0.2
308.15173	0.1
309.15399	0.2
310.14938	6.5
311.15277	0.3
331.18851	0.2
415.21573	0.1
472.23285	19.9
473.23544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2332
Annotation	Scutebarbatine K
Peak:m/z	Relative Intensity
52.96263	0.1
57.91849	0.1
69.89761	0.4
72.98259	0.1
78.03440	0.5
80.05018	3.3
81.07069	0.1
96.04494	2.5
105.07022	0.2
106.42228	0.1
109.57224	0.1
118.85217	0.1
119.08620	0.1
124.03947	100.0
125.03524	0.1
125.04296	1.3
131.08516	0.4
140.03383	0.2
143.51465	0.1
187.14790	0.3
331.19208	0.2
472.23312	12.0
473.21533	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	472.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14616	3.7
52.14878	3.1
53.47011	3.5
55.01870	15.4
55.05510	7.0
57.03443	8.7
57.78034	3.3
60.08152	5.6
61.02925	4.8
69.03111	3.1
69.03430	18.1
69.24153	15.5
70.06599	13.8
71.04997	5.9
72.08170	5.2
73.02914	64.0
79.05492	5.7
81.03420	5.4
83.04983	10.8
84.04520	4.0
84.08153	4.8
85.02909	52.7
86.03217	3.8
87.03348	5.2
91.05492	4.9
97.02907	22.3
100.07604	7.8
100.52966	3.5
104.10740	33.7
104.13806	3.5
107.08604	6.1
109.02908	5.4
111.05622	4.0
115.03937	5.8
125.06004	4.1
125.09630	100.0
125.10513	6.2
126.09126	4.8
127.03915	9.3
127.11214	12.9
128.00801	20.2
133.05000	4.6
141.06618	8.1
143.10649	71.2
145.04977	8.8
146.01804	47.5
147.02177	19.7
147.04396	5.0
149.09685	6.3
151.03952	6.3
155.88890	3.0
167.10681	9.9
175.03989	5.2
185.11671	5.1
196.40065	3.2
207.06557	7.6
235.55475	3.7
241.84895	3.3
246.86975	3.4
310.07651	7.0
472.15271	14.1
472.21722	35.3
472.30103	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	472.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.05497	1.8
57.07048	0.8
67.05501	4.9
69.03439	1.5
69.07069	1.4
71.04977	2.3
71.43734	0.9
79.05487	2.5
81.07043	5.4
83.04966	2.5
91.05483	2.4
93.07052	4.8
95.04967	3.2
95.08608	2.9
96.68182	0.6
97.02881	5.5
97.06516	1.0
98.04053	0.7
99.62729	0.6
100.45409	0.6
105.03373	1.1
105.07029	7.1
107.08584	4.2
109.06512	1.4
109.10133	1.5
111.04432	2.2
111.08044	0.9
117.07024	1.7
119.08577	11.4
121.06516	1.0
121.10138	4.5
123.11680	0.9
124.03944	7.7
129.07019	1.0
131.08582	3.1
133.10175	4.5
135.08049	1.3
135.11710	1.2
137.05963	0.7
139.07449	1.0
141.05449	1.7
141.06931	0.8
142.07776	1.0
143.08545	2.5
144.09236	0.7
145.10103	4.1
147.08032	1.3
147.11674	10.0
149.09599	1.3
149.13286	0.8
152.05716	0.7
155.06992	1.9
155.08397	0.9
156.09361	1.0
157.10133	6.6
159.08034	0.7
159.11705	3.9
161.09592	1.7
161.13235	2.8
169.10107	2.2
170.10869	2.3
170.23634	0.6
171.11684	6.3
173.09544	0.7
173.13258	9.7
175.11165	1.8
175.14845	3.3
177.12756	0.8
179.08516	0.6
180.09296	0.6
181.08705	0.8
181.10182	1.3
183.11691	2.0
184.12485	1.7
185.13235	5.9
186.14091	1.2
187.11200	0.8
187.14821	1.7
189.12709	1.8
193.08585	0.8
194.10876	0.7
195.10143	1.1
195.11717	3.7
197.13245	2.3
198.13914	0.7
199.11142	1.1
199.14799	6.0
201.16409	0.8
203.14334	2.1
204.15106	2.0
205.15897	1.7
208.12434	1.1
209.13181	2.8
211.14799	1.6
213.16418	2.2
220.12437	0.7
222.13942	1.8
223.14810	1.7
227.14218	0.6
227.17932	1.0
235.14838	0.8
237.12704	0.7
237.16362	5.5
241.12035	0.7
251.18034	1.8
255.13730	0.7
255.17479	1.1
269.19064	1.1
273.18433	1.0
279.17627	1.0
283.48209	0.6
297.18439	6.0
315.19522	100.0
316.19775	4.3
333.20514	4.1
351.18405	0.9
389.54099	0.7
412.28992	0.8
426.21555	0.7
472.31155	1.2
484.11630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69606	1.9
55.05511	3.8
57.07068	4.0
60.04137	2.1
61.01512	1.8
61.57566	1.7
64.92850	1.8
67.05496	11.5
69.07067	4.1
69.60366	1.9
71.04973	1.9
79.05489	10.6
81.07070	12.5
83.04985	2.6
91.05479	11.9
92.42120	1.8
93.07050	17.0
95.04935	4.5
95.08603	23.1
96.04508	2.5
96.77527	1.7
97.02897	4.2
105.07027	18.1
106.02863	2.6
106.63283	1.6
107.08575	10.2
109.06518	3.9
109.10151	4.8
115.82487	1.8
117.07027	5.4
119.08569	25.2
121.06478	2.2
121.10139	6.0
123.11708	3.5
124.03945	64.0
125.06026	2.1
128.06219	2.0
129.07033	2.9
131.08565	12.1
133.10133	11.9
135.11650	3.0
139.07562	2.7
141.06984	2.3
142.07784	3.8
143.08545	16.0
145.10081	19.9
145.84985	1.8
147.11671	7.6
155.06999	4.0
155.08560	5.5
156.09319	6.5
157.10109	21.9
159.11699	14.2
161.13240	6.3
166.07800	2.3
167.08548	7.0
169.10098	11.3
170.10899	10.4
171.11674	24.6
172.12360	2.6
173.13290	8.8
175.14798	4.1
179.08594	3.4
181.10130	18.9
183.11664	11.1
185.13240	17.6
186.14005	6.4
187.14783	10.3
189.16364	3.3
193.10062	5.9
195.11676	19.8
196.12419	3.2
197.13197	8.9
199.11102	3.9
199.14806	21.1
201.16335	3.2
203.10756	2.1
203.14325	3.4
207.11772	3.0
208.12552	3.6
209.13266	11.9
210.13585	2.4
211.14899	2.9
213.08989	2.7
213.16403	4.2
215.10605	3.8
222.14047	4.6
223.14734	4.4
225.16399	6.2
235.14806	3.6
236.15259	2.1
237.16385	19.9
241.12245	3.8
251.17860	4.2
255.17403	2.3
269.15439	3.2
273.18433	2.1
279.17572	2.9
285.18488	6.0
297.18320	12.2
303.19534	17.7
315.19513	88.2
315.23203	4.2
316.19879	4.2
333.20575	100.0
334.20993	5.5
363.40564	2.0
426.21591	4.7
454.29221	2.7
472.26193	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	472.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05502	1.6
57.07066	0.5
67.05494	3.0
69.03404	0.8
69.07064	5.9
69.45854	1.9
71.04957	0.8
77.03912	0.8
79.05479	2.8
81.07056	3.5
83.04987	0.8
83.08620	0.7
85.02864	0.5
85.06548	0.6
91.05494	3.0
93.07043	9.0
95.04959	3.0
95.08602	4.7
97.02874	2.5
97.06547	0.9
97.10219	0.5
98.23466	1.0
101.26814	0.5
105.03383	12.4
105.04494	1.1
105.07017	4.5
107.08582	3.6
109.06518	2.3
109.10120	0.8
111.04440	1.0
111.08079	1.5
111.56517	0.5
115.05515	0.5
115.07565	0.6
117.07036	2.5
119.08559	5.6
121.06530	0.8
121.10129	0.8
123.08043	0.7
124.03951	0.8
124.21985	0.5
127.72250	0.5
128.06213	0.6
129.07021	2.5
129.07819	0.5
129.09103	3.8
130.07770	0.8
131.08559	3.5
133.10138	6.0
135.08044	1.2
139.07498	2.3
141.06992	0.7
142.07774	1.7
143.08563	5.1
144.09276	1.1
145.08971	0.8
145.10107	12.8
153.06952	1.0
153.09097	1.2
155.07040	1.6
155.08510	1.8
156.09343	3.4
157.10115	10.5
158.10802	0.8
159.11674	12.2
161.09668	0.6
161.13197	0.5
163.11136	0.5
166.07793	0.9
167.08525	2.3
168.09293	1.2
169.07733	0.6
169.10100	3.6
170.10890	5.1
171.11674	14.4
173.13242	2.8
179.08517	1.4
180.09344	1.4
181.10136	4.5
182.10835	0.9
183.11665	3.9
184.12471	1.9
185.13242	11.9
186.13994	2.7
187.14787	1.6
193.10135	2.0
194.10933	1.1
195.11658	11.5
196.12306	0.6
197.13249	6.1
198.13992	0.7
199.14775	7.8
203.14336	1.3
207.11684	2.5
208.12401	1.1
209.13216	5.2
211.14812	1.4
213.12695	0.7
213.16399	2.3
215.10764	0.5
220.12457	1.5
222.14015	3.0
223.14719	1.4
224.66620	0.5
227.17934	0.5
235.14769	3.3
237.12714	1.1
237.16356	10.9
241.12231	1.5
251.17926	2.4
255.13802	1.2
255.17416	1.9
269.18811	0.5
279.17380	1.7
282.16132	0.5
297.18460	5.9
315.19510	100.0
316.19806	4.4
333.20422	1.9
356.19058	0.6
357.69257	0.5
412.28848	2.4
437.23224	0.8
454.25955	2.7
471.30469	0.9
472.31393	13.9
473.32321	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05503	2.0
55.21529	0.7
57.07059	1.2
57.26071	0.7
67.05493	3.8
67.09541	0.7
69.03419	1.3
69.07069	5.0
71.04984	1.4
79.05487	4.7
81.07072	4.5
91.05496	5.6
93.07050	9.1
94.94389	0.6
95.04955	4.1
95.08601	5.5
95.43112	0.6
97.02879	2.5
97.06516	2.4
98.23514	1.7
105.03391	14.8
105.04470	1.5
105.07027	5.9
107.08593	4.7
109.06500	1.3
109.10134	1.0
111.04412	1.3
111.08080	2.1
115.07523	0.7
117.07018	2.0
119.08575	8.0
121.10150	1.7
124.03942	7.0
125.04265	2.1
125.05969	1.2
129.06998	2.2
129.09157	3.5
131.08562	5.5
133.10118	8.3
135.08054	0.9
139.07549	3.4
141.06956	2.0
142.07742	2.8
143.07027	0.9
143.08565	6.5
144.09320	1.3
145.10138	14.5
147.11702	1.3
153.07010	0.9
153.09125	1.4
155.08569	2.0
156.09386	4.6
157.08748	0.9
157.10114	13.7
158.10896	0.9
159.11682	11.0
161.09624	1.4
165.06958	1.5
167.08586	2.1
169.10118	5.1
170.10901	5.7
171.11676	18.1
173.13237	4.6
179.08540	1.2
180.09296	1.7
181.10091	6.8
182.10899	1.7
183.11664	3.5
184.12431	1.9
185.13260	10.8
186.13983	2.2
187.14809	2.7
193.10059	2.4
194.10922	2.0
195.11688	12.3
196.12358	1.0
197.13219	10.7
198.14088	0.9
199.14803	8.6
201.16351	1.6
203.14330	1.8
207.11763	2.9
208.12457	2.3
209.13220	5.9
211.14789	2.2
213.16359	3.7
215.10693	0.9
220.12428	1.7
221.13086	1.0
222.14027	3.1
223.14774	2.0
227.10866	0.9
235.14839	5.5
237.12897	1.0
237.13902	1.1
237.16342	15.1
238.16724	1.4
241.12187	3.1
251.17870	3.6
255.13824	1.4
255.17398	2.3
269.18839	0.9
279.17404	2.1
297.18433	14.0
315.19528	100.0
316.19806	5.0
321.00174	0.8
333.20773	1.3
346.75970	0.7
412.29108	1.2
437.23065	1.0
454.25702	2.3
472.25739	1.6
472.32315	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	472.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94918	0.2
54.25100	0.2
55.05500	0.5
56.08156	0.2
57.03421	0.4
61.02921	0.3
69.03419	0.7
69.07056	0.8
69.65685	0.9
70.06576	0.3
73.02908	0.7
79.05490	0.2
80.04990	0.2
81.03413	0.3
81.07060	0.4
83.05010	0.3
83.08625	0.2
85.02895	1.9
86.09695	0.7
87.04459	100.0
88.04809	1.2
89.06013	1.1
91.05486	0.4
96.04447	0.3
97.02911	0.6
98.06052	0.5
106.02910	0.6
107.08581	0.3
111.11703	0.3
119.08537	0.3
121.02872	0.6
121.06475	0.2
124.03938	3.8
125.04300	0.4
127.03868	0.3
129.10287	0.3
129.70306	0.2
131.07050	1.4
133.04973	0.2
133.08566	0.4
138.05502	0.4
139.08644	0.4
139.09839	0.2
145.04961	0.7
147.04399	0.6
148.04745	0.3
149.05962	0.5
157.09705	0.6
163.05989	0.3
175.99158	0.2
176.00835	0.2
177.03926	0.5
177.05418	0.5
195.06427	0.3
214.11855	0.2
214.25224	0.2
219.12265	1.4
255.06543	0.2
263.14774	0.2
311.20169	0.2
313.06952	1.6
319.80344	0.2
338.96097	0.2
380.22049	0.3
390.90829	0.3
410.17554	1.2
411.17908	0.2
428.18896	0.6
454.21198	0.6
463.31372	0.3
472.17441	2.5
472.22186	1.4
472.32654	1.2
472.81949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
57.07072	18.2
59.04998	88.6
68.56338	1.3
69.07062	1.9
69.86791	2.1
69.87184	2.5
70.96323	1.1
71.08626	33.4
85.10183	16.0
87.04469	4.1
89.06025	8.8
91.05458	9.9
93.07035	9.7
95.04969	3.2
95.08579	1.6
95.81139	1.0
98.23447	1.3
103.05477	2.2
103.07572	79.4
104.07993	1.3
105.07013	3.5
107.04920	1.2
107.08587	3.9
119.04937	2.9
119.08571	2.6
121.06493	35.9
121.10146	2.3
127.14855	1.5
131.08600	1.4
133.08623	6.7
133.10127	1.2
135.08038	2.1
145.10143	2.3
147.08121	6.8
147.10146	33.2
149.09624	2.4
165.09111	23.8
167.10690	1.7
167.20013	1.2
177.11183	2.0
209.11702	12.7
224.51013	1.3
247.20549	11.9
253.14407	1.3
291.23163	18.5
292.23465	1.5
329.19531	11.2
335.25726	2.2
347.20676	10.5
472.36359	10.6
473.34442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42776	9.9
55.05507	24.5
56.64544	10.8
65.65258	11.9
67.05499	47.9
69.07057	36.3
71.04982	22.6
81.07052	31.8
81.99306	10.5
84.67551	10.3
84.81476	10.5
92.79887	13.3
98.75153	10.9
107.90891	11.2
109.10180	60.0
155.10696	13.1
173.11751	100.0
175.52051	12.6
219.14574	13.6
262.26758	12.9
283.26382	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1937
Annotation	Trp Met His
Peak:m/z	Relative Intensity
57.02274	2.2
69.25913	2.2
69.26241	15.6
77.64828	2.3
81.07059	3.0
84.31182	2.2
95.08558	3.0
119.08560	2.5
143.30310	2.2
196.28654	3.0
286.22168	2.2
301.12396	2.5
413.30072	3.9
472.39523	2.4
473.19324	100.0
473.32281	23.5
473.98492	3.1
474.19470	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	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
55.01876	4.8
55.05502	8.2
67.05506	12.5
69.03420	18.3
69.07072	13.9
69.34905	19.9
70.06602	6.2
72.08151	18.6
72.98691	3.5
79.05511	6.2
81.03418	15.5
81.07069	9.4
83.08598	4.6
84.04538	4.1
85.02896	24.3
86.09702	49.4
87.00833	6.4
91.05483	16.0
93.07053	17.1
94.95810	4.0
95.04995	7.6
95.08601	100.0
97.02917	5.5
98.23523	7.0
99.04457	4.7
100.07607	7.2
105.01811	6.8
105.07034	27.8
107.08573	23.7
109.02885	9.0
109.06522	5.2
109.10165	6.0
110.07101	4.7
117.07056	4.5
119.04945	10.7
119.08566	50.4
121.02930	3.9
121.06528	4.7
121.10140	22.4
123.08048	27.9
127.03894	7.8
129.10269	5.5
131.08524	4.0
133.06500	15.2
133.10126	24.6
135.08073	13.1
135.11684	73.2
137.09644	13.3
137.13280	10.2
145.04947	5.7
145.10135	5.9
147.04428	30.5
147.08063	5.1
147.11679	31.1
149.09589	25.0
151.07513	6.1
159.02888	6.3
159.07971	6.3
161.13249	96.7
161.14511	6.8
163.11153	5.1
171.11812	4.5
174.10455	6.4
181.12248	29.8
185.16496	5.0
189.12726	80.4
207.13788	74.9
225.14818	15.5
243.13469	7.0
383.18726	4.4
454.75681	4.3
456.73199	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	473.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01857	3.9
57.03434	2.1
59.04987	1.3
67.05498	2.7
69.03431	10.3
69.07053	1.8
69.28663	5.8
70.06595	1.8
71.04980	3.9
71.27103	1.2
73.02913	3.2
79.05495	2.3
79.91669	1.1
81.03432	9.4
81.07047	4.3
83.04963	5.9
84.04480	1.6
84.08130	2.3
84.71394	1.0
85.02901	24.7
85.06551	1.5
86.03297	1.5
87.00826	9.1
91.05491	3.7
93.07046	3.6
95.08601	13.4
97.02878	10.4
97.06538	2.3
98.23387	1.8
99.04465	5.2
101.06021	1.1
103.05471	1.9
105.01872	5.9
105.07029	11.3
107.08598	9.3
109.02879	9.5
109.06516	4.6
109.10148	2.4
117.01888	1.8
119.04913	1.3
119.08557	9.3
121.06466	1.1
121.10179	6.1
123.08064	26.1
123.11728	4.5
127.03915	18.9
127.07502	1.2
131.04944	4.3
131.08566	4.5
133.06479	4.8
133.10130	4.1
135.04364	1.3
135.11746	1.5
137.09605	1.9
143.08611	1.9
145.04959	6.2
145.10114	3.9
147.07962	3.9
147.11644	6.2
149.09615	19.0
149.10742	0.8
151.03917	3.6
151.07533	17.9
156.09322	2.8
159.02873	4.1
159.08102	2.0
161.09587	2.2
161.13266	12.0
163.03912	2.7
163.11156	1.6
164.04237	1.6
165.12732	9.2
171.11670	6.8
174.10373	5.4
179.14325	3.6
181.04974	1.8
189.12721	52.2
190.13107	1.4
207.13774	100.0
208.14027	2.0
225.14798	24.8
231.04974	2.3
263.07089	1.5
264.07391	1.9
281.07977	1.2
291.06332	1.3
292.06702	1.9
316.60999	1.4
374.03012	1.6
389.05219	1.2
473.19995	4.9
489.98926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63558	4.6
53.03936	7.1
55.05495	15.9
57.03414	4.6
57.07088	4.7
61.02917	5.3
67.05497	23.9
69.03411	19.2
69.07052	6.0
70.06574	14.1
71.04983	5.0
71.40800	5.2
72.08147	38.2
72.41650	5.2
75.31249	5.5
79.05487	8.4
81.03391	21.6
84.04501	11.3
84.08143	9.8
85.02898	40.6
85.06530	14.6
86.09691	55.0
87.00791	12.4
89.61156	7.2
93.07043	11.7
95.08593	100.0
97.02855	10.8
100.11240	10.4
102.05482	4.6
103.03890	8.0
105.01877	8.3
105.07031	15.1
107.08598	9.1
109.02908	11.9
109.10132	12.1
113.06006	11.6
119.08562	22.7
121.02859	11.8
121.06518	5.6
121.10067	8.4
123.08053	29.9
123.11684	18.0
127.03889	17.4
129.10220	7.7
133.06529	4.9
135.08026	6.0
135.11681	15.6
141.02135	13.9
147.04388	7.0
147.11664	11.3
149.09598	40.4
161.13240	15.4
173.11711	6.7
181.06749	5.5
185.16438	7.3
189.12761	17.6
207.04276	31.6
207.13777	70.4
213.16008	15.7
219.11299	6.3
225.05348	62.9
225.14819	8.1
261.14374	18.0
276.15073	6.7
429.11703	19.8
455.17654	7.5
473.11319	53.5
473.19266	35.0
473.35754	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	473.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38980	0.2
69.27261	0.7
72.22250	0.2
76.06185	0.2
80.10108	0.2
91.05415	0.2
93.89217	0.2
96.31141	0.2
106.06535	0.3
169.10098	0.3
309.18161	0.4
353.17169	0.3
361.78067	0.2
375.94003	0.2
413.19345	4.4
414.19690	0.3
421.38937	0.2
466.61572	0.2
473.21417	100.0
474.21765	7.9
474.28650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.05507	17.2
62.05449	1.4
67.05500	15.9
69.03413	1.5
69.07068	6.0
79.05488	15.7
81.07049	24.2
83.04984	23.9
83.08621	2.3
91.05470	19.3
93.07036	23.1
94.07379	2.8
95.04961	6.9
95.08599	18.3
97.02885	5.6
97.06523	2.4
105.03396	2.6
105.07023	36.4
106.07374	2.3
107.08598	23.1
108.08933	1.6
109.06510	3.4
109.10162	12.8
111.04460	2.8
111.08057	3.0
117.07013	3.8
119.08575	31.1
120.08921	5.5
121.06531	2.0
121.10132	12.9
123.11696	4.4
125.09642	1.9
129.07021	3.0
131.08578	13.3
133.10123	24.7
134.10413	1.8
135.08090	2.1
135.11702	5.7
139.11121	2.1
142.07790	1.9
143.08568	7.3
145.10117	19.8
146.10475	1.9
147.11681	22.4
148.12086	5.5
149.13239	6.8
155.06989	2.2
155.08478	1.6
156.09262	2.0
157.10153	9.1
158.10600	2.2
158.89594	1.6
159.11665	18.6
160.12064	2.3
161.13271	6.2
163.14890	1.6
165.12741	1.7
167.08681	1.7
169.10129	3.9
170.10799	2.2
171.11674	8.6
172.12093	2.0
173.13234	13.0
174.13605	7.3
175.11176	2.9
175.14821	4.8
176.15253	1.8
181.10039	1.8
183.11711	3.6
184.12212	1.4
185.13239	8.3
186.13725	4.7
187.14819	5.6
194.10658	1.5
195.11703	3.6
196.12103	3.1
197.13254	3.1
198.13622	2.2
199.14795	9.8
200.15190	5.8
201.16399	8.0
203.14217	2.0
204.14980	2.3
209.13155	2.3
210.13734	2.2
213.16377	4.4
214.16721	2.0
225.16321	2.5
227.17874	2.5
237.16324	3.9
238.16731	2.7
251.17952	3.2
253.19574	1.9
255.21048	7.1
274.49579	1.6
297.18588	2.7
298.18768	5.9
315.19531	34.2
316.19858	100.0
317.20178	3.0
333.20471	1.7
334.20938	4.6
335.27271	1.6
353.28485	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	30.9
67.05492	36.7
69.07070	11.3
79.05486	34.1
81.07057	62.8
83.04980	18.9
91.05446	48.0
93.07035	67.0
95.04952	17.8
95.08596	53.0
97.06573	12.3
97.10109	10.7
105.07009	100.0
107.08619	53.8
109.10136	33.2
119.08567	53.5
121.10136	22.2
123.11708	15.8
131.08554	23.4
133.10132	81.4
135.11708	14.5
143.08582	16.6
145.10120	44.4
147.11719	24.8
149.13301	9.3
154.32974	8.8
157.10088	16.7
159.11716	19.0
161.13278	16.6
165.09128	38.6
171.11728	16.7
173.13274	10.6
183.11687	11.6
183.14755	9.5
185.13254	15.2
188.30228	9.3
189.16341	11.5
199.14740	14.1
201.16382	26.1
213.16423	13.6
223.06401	10.7
316.19592	9.2
341.31601	9.3
473.22592	11.0
473.32288	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	473.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97788	0.2
59.04997	0.4
69.12432	0.2
69.37109	0.4
69.37511	0.8
77.67477	0.2
89.06001	0.2
93.07060	0.3
95.08634	0.2
102.35371	0.2
103.07541	0.2
103.76991	0.2
104.07048	0.2
105.07024	0.3
118.92181	0.2
133.08603	0.2
147.10239	0.2
218.64439	0.2
219.77762	0.2
242.45070	0.2
422.45929	0.2
455.06668	0.2
473.34454	100.0
474.34869	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.9
69.19278	1.1
69.60683	0.2
70.06590	1.0
81.45525	0.2
86.06065	0.3
86.28604	0.3
91.05476	15.3
92.05771	0.3
95.04974	0.2
98.06039	0.3
107.04956	0.3
110.76637	0.2
115.05476	0.3
115.41408	0.2
117.19522	0.2
119.04938	34.3
120.05254	0.5
121.02842	0.2
124.03935	1.5
128.78712	0.2
133.10121	0.3
136.03976	0.2
137.02304	0.4
137.97560	0.2
138.01855	0.8
141.06985	0.4
145.06454	0.3
147.04399	100.0
148.04750	2.0
150.01880	0.4
159.07971	0.2
164.03416	0.3
166.01387	0.6
166.05014	0.4
168.02872	1.0
184.06096	0.3
192.02910	9.8
193.03383	0.3
207.54718	0.2
208.06036	14.7
209.06386	0.2
210.04027	0.6
223.99637	0.2
234.04010	0.7
312.08646	10.2
328.11755	11.4
329.12241	0.5
354.09717	0.5
474.15466	40.8
475.15826	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	474.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.2
61.02321	0.3
63.45673	0.3
65.03925	1.0
70.06578	1.0
87.04464	9.9
87.05008	0.5
88.04781	0.7
89.06012	1.9
91.05476	14.0
92.05870	0.4
95.99897	0.3
97.02839	0.3
103.07576	2.4
119.04938	36.8
120.05269	0.8
122.02450	0.4
124.03951	1.2
133.08600	0.8
134.88550	0.3
138.01842	0.8
141.06944	0.4
147.04401	100.0
148.04761	2.8
166.01382	0.3
166.05067	0.6
168.03006	0.9
177.11166	0.5
184.06020	0.4
185.15691	0.3
192.02911	11.2
193.03136	0.3
208.06039	13.8
223.00195	0.3
226.07115	0.4
234.03847	0.5
267.48746	0.3
285.07581	0.7
299.05505	0.3
312.08643	9.9
313.08945	0.6
328.11774	12.2
354.09753	0.8
383.72781	0.4
474.15469	44.9
475.15771	3.2
478.55173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.8
69.03392	0.3
70.06586	0.7
81.07047	0.3
84.08102	0.3
87.04443	0.3
89.06026	1.2
91.05476	16.9
94.02914	0.6
97.02892	1.4
98.06037	0.3
107.08589	0.4
107.76220	0.3
115.36147	0.3
119.04936	36.4
120.05277	0.5
121.02815	0.2
122.02417	0.5
122.06020	0.5
124.03945	2.1
127.03908	0.4
133.08591	0.3
138.01892	0.7
147.04398	100.0
148.04744	2.2
159.08092	0.3
164.03412	0.6
165.09079	0.5
166.01427	0.5
166.04991	0.7
168.02914	1.0
169.06427	0.4
172.66969	0.3
174.15356	0.3
184.06110	0.4
187.07527	0.3
190.05022	0.5
192.02907	11.3
208.06027	13.8
209.06261	0.4
210.03986	0.9
226.18068	0.3
234.03874	0.5
240.09915	0.3
260.27676	0.3
268.48624	0.3
274.31946	0.3
312.08655	9.6
313.08774	0.5
319.83713	0.3
328.11798	11.0
329.11963	0.6
354.09766	0.6
474.15460	44.2
475.15848	2.6
475.23019	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	474.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.8
62.12255	0.2
65.03934	1.9
69.03404	0.5
69.81021	0.8
70.06579	0.9
81.07015	0.3
83.08591	0.6
89.06009	0.5
91.05468	16.8
92.05821	0.5
95.04982	0.4
98.06023	0.2
98.23332	0.3
100.11253	2.1
107.04947	0.4
111.04444	0.4
119.04928	38.3
120.05248	0.7
122.02406	0.3
124.03936	3.0
125.04285	0.3
133.08614	0.6
137.09566	0.4
138.01854	1.2
141.06929	0.7
144.05775	0.4
145.56635	0.2
147.04387	100.0
148.04738	2.1
163.03943	0.3
164.03386	0.5
165.09052	1.5
166.01309	0.3
166.04993	0.5
168.02919	0.7
168.13850	0.3
169.06435	0.4
182.15364	0.7
184.06032	0.4
187.07483	0.4
190.05058	0.4
192.02896	10.1
193.03294	0.3
199.17998	0.3
208.06021	13.2
209.06442	0.4
209.16502	0.3
210.03951	0.6
210.14919	0.6
226.07141	0.5
234.03946	0.5
312.08600	9.3
313.08838	0.3
328.11752	11.2
329.12421	0.3
336.15427	0.2
354.09732	0.7
434.22894	0.2
474.15430	46.1
475.15863	3.0
475.22858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.173
Annotation	Raloxifene
Peak:m/z	Relative Intensity
56.05020	0.4
57.02023	0.3
57.03428	0.6
61.02906	0.5
69.03410	1.0
70.06581	0.7
71.39654	0.5
72.08144	1.5
73.02896	0.4
74.69466	0.4
83.06108	0.7
84.04480	0.4
84.08131	1.5
85.02905	6.1
86.03277	0.4
86.09708	2.9
87.05549	0.4
95.01336	1.9
95.06049	0.5
96.04472	0.5
97.02885	1.3
104.05030	0.5
105.03393	1.0
105.05777	1.5
106.06548	0.5
109.02881	0.4
111.05560	3.2
113.02405	0.4
120.04442	2.9
123.04276	0.4
123.05563	1.1
125.05843	0.6
126.06630	2.4
127.03925	1.9
129.10223	1.6
132.04448	26.7
132.05441	1.0
133.05232	0.6
134.06009	5.7
137.04610	0.9
137.51149	0.3
141.01820	5.6
142.02124	0.5
145.04976	3.7
151.06139	10.3
155.81517	0.4
158.06035	0.5
159.02893	0.9
163.05991	1.9
174.07942	0.4
177.04036	0.7
185.07098	0.4
194.06723	5.0
195.07510	0.6
201.12248	0.4
202.09789	2.2
216.11324	0.5
230.09309	1.4
232.10750	0.7
232.96385	0.4
239.72968	0.4
242.09235	5.4
255.08928	0.6
257.10309	4.5
258.08505	0.5
259.09164	0.6
259.11887	11.4
274.12851	0.4
284.11426	5.0
299.00589	3.8
302.12445	16.4
303.12747	1.0
327.11838	2.9
328.12051	0.4
345.13022	100.0
346.13345	4.6
378.30746	0.4
456.16321	1.1
469.47998	0.4
474.17407	8.6
474.27551	0.5
475.03928	2.5
475.17480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31957	0.3
69.03463	0.4
70.06577	0.7
71.06124	0.4
71.40183	0.4
73.02916	0.4
73.05330	0.4
85.02907	1.8
97.02950	0.4
105.05782	0.4
110.03536	3.8
111.05568	1.0
120.04433	0.8
126.06610	0.6
128.04562	0.6
132.04448	6.1
134.06041	1.3
135.03000	0.7
137.08220	1.2
151.03912	2.2
151.06163	3.0
153.04057	1.7
161.71126	0.3
162.07747	0.5
165.06494	0.5
180.08800	100.0
181.09088	1.3
194.06715	1.3
195.07573	0.4
202.09740	0.4
230.09279	0.5
242.09262	1.2
257.10300	1.0
259.11838	2.1
284.11383	1.4
302.12473	4.2
313.09085	0.4
327.11923	0.6
345.13065	23.4
346.13199	0.8
474.17609	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	474.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02023	5.6
53.03946	12.2
55.01867	6.6
59.04987	25.9
61.02932	6.6
62.06052	6.2
67.34716	5.1
68.57193	5.8
68.99771	7.3
69.03426	19.6
70.53769	8.7
73.02904	25.8
81.03403	29.8
85.02896	65.2
87.00824	25.2
87.04464	26.1
89.06039	53.9
91.05608	5.8
97.02886	25.4
99.04405	6.3
103.05368	7.2
103.07571	17.7
105.01855	24.6
107.04965	9.9
109.02890	29.2
122.05968	5.3
127.03905	56.4
133.08585	27.7
133.98134	5.1
135.08124	7.8
138.01927	5.9
145.04959	30.7
147.04398	6.4
147.10236	10.0
154.06253	33.8
159.02885	17.4
163.07561	28.1
177.11284	6.9
191.14330	7.3
195.10161	100.0
231.05023	11.8
273.70258	6.2
280.10266	10.9
282.17059	6.4
316.00537	6.2
472.47394	6.0
474.18884	9.2
498.20380	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	474.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03477	0.6
55.05501	1.3
57.07076	3.2
67.05517	0.5
68.99796	1.0
69.07059	1.8
69.89174	1.3
79.05473	0.9
81.07056	1.0
83.08620	2.0
91.05481	2.6
91.79218	0.4
93.07045	1.4
100.18111	0.4
103.05434	2.4
105.07040	2.4
107.08607	1.7
109.10145	0.7
110.02412	1.0
111.08045	0.5
119.08569	8.2
121.06507	0.5
121.10152	1.9
131.04933	5.6
131.08539	0.5
133.06459	0.9
133.10107	4.2
134.09630	0.9
135.08038	1.1
135.11710	1.3
138.01855	12.2
145.08917	0.5
145.10159	1.0
146.05965	0.5
146.09618	0.9
147.06799	1.2
147.08046	4.9
147.11690	1.4
148.08772	0.8
156.02946	1.0
159.11710	0.6
160.11304	0.7
160.12546	0.5
161.08365	1.0
161.09573	1.0
161.13254	0.7
162.09145	4.1
166.01357	20.4
167.02072	0.9
168.02925	1.5
173.09612	1.4
175.11200	1.8
175.14813	6.8
176.10751	2.0
178.01321	0.6
184.02406	4.1
185.03194	0.7
185.13271	0.5
188.11961	1.7
189.12784	1.4
190.12196	0.7
192.02965	0.8
194.00845	1.7
202.12305	0.7
203.12851	1.0
203.14354	1.6
204.13737	0.8
208.02449	0.5
214.04671	0.5
218.23804	0.4
225.05428	5.9
230.07986	0.5
232.16945	1.2
242.08121	5.6
244.06041	1.0
252.06415	0.5
257.06583	1.0
258.07651	1.8
259.04700	2.1
260.09262	0.6
260.16592	0.6
268.09799	0.7
270.07565	8.6
271.08472	0.7
272.05469	0.6
272.09222	1.1
282.07837	0.5
282.11334	0.5
284.09314	0.8
286.07330	0.9
286.10739	1.6
287.07877	0.5
296.09171	1.2
298.07080	1.4
301.09384	0.6
302.10181	1.1
302.17621	0.6
312.12317	1.5
313.09369	0.7
314.10175	1.7
315.11011	1.3
328.15527	0.9
340.11456	0.6
342.17114	2.1
346.16461	0.5
355.14163	1.3
361.13239	0.6
362.13861	1.4
363.11008	2.7
370.16483	2.2
390.17215	2.2
400.15167	0.6
406.16483	1.6
407.91226	0.6
417.15848	1.0
418.16455	3.4
419.17230	1.0
429.16379	0.6
444.18115	1.7
446.23215	4.3
456.21353	0.9
459.20227	1.2
474.22723	100.0
475.23022	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	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.6
56.93746	0.5
61.72982	0.5
67.05496	0.7
69.03423	2.3
77.03956	0.5
79.05486	8.2
83.04986	4.3
91.05463	6.8
93.07060	1.4
95.08590	0.9
105.07011	4.5
107.08588	100.0
108.08927	2.4
109.06507	2.2
109.10153	0.8
119.06078	1.8
121.10126	6.6
133.10120	3.2
135.08029	0.8
147.11679	1.1
149.13249	7.6
153.09094	0.9
163.14906	0.8
164.08440	0.7
173.13266	1.7
189.29411	0.5
191.14302	43.6
192.14731	0.9
252.38603	0.6
271.06061	1.1
374.70331	0.5
376.71887	0.6
474.17001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.3
57.03434	2.6
67.05507	5.2
69.03404	4.4
69.07066	3.4
69.58840	9.4
71.04991	19.2
73.02923	3.7
79.05502	6.6
80.04988	3.0
81.07047	6.2
81.37843	2.6
85.02911	7.2
85.06548	7.5
87.00816	3.8
87.04453	18.5
89.06036	13.3
91.05483	6.6
93.07044	14.0
95.04972	2.8
95.08612	13.9
97.02886	4.9
97.06548	18.5
105.01883	7.3
105.04601	2.1
105.07021	16.8
107.08605	19.8
109.06521	4.8
109.10108	3.1
111.08084	5.3
117.07024	3.1
119.08578	8.9
121.10155	35.4
127.03924	3.7
131.08582	7.9
133.08583	5.1
133.10129	100.0
134.10393	3.5
135.08044	18.1
139.01534	8.0
143.08545	2.2
145.05008	3.0
145.10138	5.7
147.11676	19.3
149.09596	2.9
149.13260	20.3
158.10875	3.8
166.08653	7.3
173.13240	25.0
191.14302	95.8
192.14662	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	474.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10173	1.3
61.01132	1.5
73.04741	4.6
77.00603	33.2
79.02141	2.1
89.06040	11.5
91.05830	10.4
95.01642	100.0
99.02682	2.2
101.04212	3.2
101.22295	1.4
105.07002	2.2
107.48473	1.4
113.02663	4.4
117.03580	1.7
117.07358	4.1
118.03220	6.5
119.01593	2.0
121.03169	6.4
133.08676	1.5
136.05618	1.5
145.06801	26.0
147.04707	29.4
161.09911	2.5
165.05806	4.3
169.03464	2.9
189.09416	76.8
190.09624	2.7
191.07428	2.7
235.09935	4.1
239.09453	5.6
256.84598	1.6
277.14676	41.7
295.15613	1.6
329.98663	1.8
445.27310	1.6
474.34766	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91496	0.2
69.03424	0.4
69.03755	0.2
69.19146	1.5
70.39656	0.2
73.06523	0.3
86.09721	0.3
87.04461	100.0
88.04770	1.2
89.06024	16.9
110.87350	0.2
113.06006	0.4
117.09212	0.3
118.65323	0.2
131.07034	2.6
133.08600	8.9
175.09706	0.6
177.11208	3.4
189.58322	0.2
219.12225	1.9
221.13786	0.5
263.14905	0.4
457.26578	1.8
474.21548	0.3
475.32382	1.1
496.39621	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	474.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
53.47912	0.5
54.89987	0.6
55.01865	1.1
55.05502	1.7
57.03432	2.3
57.48024	0.5
58.06602	1.6
61.02933	2.9
65.03940	1.1
67.05502	9.4
68.05013	2.2
69.03426	8.9
69.07069	0.9
70.06588	23.7
71.04989	2.4
71.40844	0.7
72.04505	3.9
72.08150	17.0
73.02911	1.6
73.06420	1.9
79.05495	3.8
80.05031	0.8
81.03409	4.7
81.07044	2.8
82.06600	0.7
83.01313	0.7
83.04964	1.2
84.04530	1.2
84.08136	4.4
85.02901	19.6
87.04472	2.4
91.03954	1.4
91.05465	1.1
95.04966	2.8
96.04498	1.5
96.08133	0.8
97.02888	8.4
98.09668	1.0
99.04445	2.3
100.07610	60.1
105.07031	1.4
107.04924	1.3
107.08571	4.3
108.08122	1.8
108.99217	0.7
109.02877	2.5
109.10136	2.8
110.06066	0.7
110.09671	43.7
111.09993	0.9
112.08730	1.1
112.11239	2.7
113.07104	0.6
120.08105	2.4
120.23521	0.6
121.02822	0.8
121.10139	0.7
122.09651	0.7
124.07648	1.3
124.11227	15.2
125.09623	6.5
126.12725	0.7
127.03907	6.2
130.05011	1.4
131.04948	1.8
132.04439	0.8
134.09631	0.7
135.04474	0.5
136.11229	4.6
142.08379	0.6
144.02272	1.7
145.04968	3.4
147.07637	1.2
148.11212	0.7
149.09608	1.1
151.03894	23.7
151.04883	1.4
152.10721	8.3
155.11765	5.8
157.13284	0.6
169.04930	1.3
169.13362	4.9
171.14920	16.3
178.12358	0.8
178.15895	19.3
179.16344	0.6
180.17445	11.3
188.17595	0.8
189.01753	0.9
196.16994	5.4
205.04939	1.1
206.04451	1.1
206.15405	2.7
208.17009	1.4
214.06467	1.6
218.04446	1.6
223.18066	2.2
224.16393	5.4
226.19133	1.8
228.02979	1.7
240.20708	2.5
240.99821	0.8
241.19127	1.1
246.04044	0.7
247.05861	0.8
256.02481	1.8
259.05917	0.9
274.03467	1.3
276.24429	0.9
277.22723	0.8
286.16660	1.3
289.06998	1.5
294.25381	14.3
294.75998	0.6
295.08160	0.8
295.23932	2.1
296.26990	0.7
301.06750	0.7
310.10709	0.9
312.26343	7.4
313.09543	1.0
327.05130	0.6
337.06857	0.7
358.22214	21.7
359.22601	1.4
378.09869	0.8
396.10773	1.3
414.11707	2.8
415.28082	0.9
456.14096	1.8
456.30536	2.5
457.28748	1.4
474.31720	100.0
475.31979	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	474.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01870	2.3
55.05500	2.5
56.05014	1.1
57.03431	3.4
58.06593	2.1
61.02924	2.7
65.03949	0.7
65.69432	0.6
67.05504	10.1
68.05024	2.0
69.03424	8.6
69.05814	0.9
69.07041	1.3
70.06586	21.5
71.04973	1.5
72.04506	5.1
72.08154	18.1
73.02910	2.1
73.06416	1.4
79.05505	4.5
81.03423	4.4
81.07040	3.2
82.06579	1.4
83.01340	2.0
83.04982	2.9
83.50723	0.7
84.04499	21.0
84.05009	1.0
84.08140	5.3
85.02904	23.8
85.03415	1.2
87.04471	2.3
91.03957	1.5
91.05471	1.6
93.06982	0.8
95.04955	2.7
95.26059	0.7
96.04500	1.8
96.08125	0.8
97.02890	8.9
99.04454	1.6
100.07613	69.0
101.07150	1.1
101.07867	0.8
103.05472	0.9
105.07031	2.1
107.04948	2.4
107.08589	4.4
108.08096	1.7
109.02879	4.0
109.10164	3.3
110.06031	1.0
110.09676	47.2
111.10023	1.1
112.08706	1.6
112.11254	3.4
120.08101	1.2
121.02873	4.2
121.10164	1.7
122.09685	1.2
124.07600	1.6
124.11226	18.2
124.12109	1.2
125.09612	6.3
126.12861	0.8
127.03904	6.1
130.04996	26.2
131.04912	2.0
136.11270	4.8
145.04962	4.2
147.04337	0.8
147.07631	27.7
149.09608	1.5
151.00267	2.3
151.03908	5.2
152.10698	9.2
155.11777	6.7
162.11255	2.5
163.03918	1.8
169.01323	13.6
169.13380	6.2
171.14914	15.4
178.04977	0.8
178.15897	22.9
179.16324	0.7
180.17465	11.4
185.50891	0.6
188.17474	0.7
196.16945	3.3
196.51578	0.6
197.00807	6.7
206.04474	1.5
206.15337	3.2
206.99234	3.7
208.16989	1.0
218.04430	1.4
223.02492	0.8
223.07224	0.8
223.17992	3.3
224.16467	5.5
225.00291	24.3
226.19124	2.0
228.02966	2.7
232.42683	0.7
240.20712	2.5
240.99826	0.8
241.19078	0.9
243.01353	1.5
246.04001	0.7
256.02441	2.3
261.03952	1.2
274.03394	1.5
276.24301	1.3
286.16504	1.9
293.08044	0.8
294.05457	1.0
294.25394	14.9
295.23755	1.9
296.26904	1.3
310.10736	2.4
311.05444	3.3
312.26437	7.9
316.13159	0.7
329.06512	6.6
334.06824	1.3
337.07162	1.7
355.08359	0.8
358.22217	21.4
378.09427	1.0
414.11673	2.2
456.13831	2.1
456.30768	2.0
457.28909	1.4
474.13995	2.0
474.31705	100.0
475.32083	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	474.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47565	0.6
53.03936	1.0
55.01862	1.9
55.05517	2.9
55.96174	0.6
56.84307	0.5
57.03431	2.8
58.06594	2.1
59.04995	0.8
61.02927	3.3
61.87698	0.6
64.29426	0.5
65.03943	0.6
67.05505	8.9
68.05028	0.8
69.03428	9.9
69.05329	2.6
69.05760	1.6
69.07063	2.0
70.06591	17.1
71.04984	1.0
72.04521	6.0
72.08156	16.3
73.02905	1.9
73.06463	0.7
79.05493	4.7
81.03419	5.1
81.07053	2.2
82.06570	1.0
83.04984	2.1
84.04516	1.0
84.08150	5.1
85.02902	22.0
85.06525	0.7
86.09689	1.0
87.04467	2.2
90.05573	2.7
91.03953	1.6
91.05515	0.7
93.07047	1.1
95.04986	3.0
96.04540	0.8
97.02892	9.3
98.02414	1.5
98.09706	1.0
99.04467	3.2
100.07616	65.0
101.07934	1.1
103.03986	0.9
105.06992	1.1
107.04945	2.1
107.08582	3.7
108.08141	1.4
109.02880	5.2
109.10168	3.2
110.09675	43.4
112.11249	2.3
113.05984	1.0
113.07096	0.6
114.09172	0.9
115.03945	0.8
116.03452	1.1
117.10249	0.8
120.08112	2.6
121.10149	0.8
124.07619	4.0
124.11224	15.7
125.09622	6.8
127.03915	6.3
130.04967	0.8
136.11237	4.9
137.02376	0.7
142.08647	1.7
145.04930	4.2
147.04449	0.8
151.03925	2.6
152.10701	7.3
155.11787	6.5
169.13379	5.8
171.14923	17.0
174.11313	0.7
177.05467	1.0
178.15903	22.1
179.16327	0.8
180.17467	11.3
181.05037	0.9
184.09700	3.3
188.17604	1.0
196.16940	3.9
202.10738	10.3
206.15416	2.5
208.17026	1.3
211.09747	1.2
220.11804	1.6
223.18112	3.0
224.16473	5.2
226.19162	1.8
230.10275	1.1
234.09676	0.9
240.20724	3.1
262.12903	1.9
276.24380	1.5
286.16483	1.6
294.25400	15.9
295.23779	2.1
296.26913	1.0
312.26413	7.2
328.13797	4.1
346.14819	0.7
358.22205	22.3
359.22522	1.3
364.15979	1.1
396.07788	0.8
456.14426	0.9
456.30786	2.4
457.28925	2.2
474.31738	100.0
475.32065	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	474.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.05503	1.2
57.03442	5.5
57.07068	9.4
58.06596	39.8
58.88500	0.8
59.07381	10.6
60.08165	12.3
67.05499	3.3
69.07064	2.1
71.08610	5.1
71.44922	1.2
73.02900	1.0
75.04490	4.1
81.07053	4.4
83.08633	1.1
84.08144	1.0
85.02901	2.7
85.10161	3.1
87.04467	5.4
95.08600	3.9
109.10159	1.9
131.07034	1.4
136.99989	1.0
144.10196	9.9
162.11197	1.4
172.95265	2.2
190.96236	0.9
236.14914	100.0
237.15262	2.2
244.63628	1.0
271.34827	0.9
272.55118	0.9
456.36807	25.5
474.20020	3.2
474.37875	99.5
475.38126	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	475.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	0.5
69.03421	0.3
73.28930	0.2
79.93887	0.2
84.17963	0.2
85.02911	0.2
86.77325	0.2
91.05479	0.4
95.59124	0.2
103.05446	0.5
105.03384	0.5
105.07025	0.6
116.06256	0.2
119.04871	0.2
119.65829	0.2
131.04941	0.6
139.00249	0.7
144.05710	0.3
147.04402	0.8
153.01837	1.0
167.02129	0.4
168.00609	0.4
168.05705	0.5
172.00514	0.2
179.04916	1.1
186.01701	0.2
196.05171	0.4
199.02322	0.5
206.04509	0.6
213.05424	0.3
218.05783	0.3
224.04630	0.5
241.04907	0.6
242.05807	0.7
252.04240	0.2
269.04446	1.4
270.05225	71.6
271.05701	4.6
284.03137	0.9
285.07565	100.0
286.07898	5.1
299.05554	4.9
299.09109	0.7
300.06030	0.3
310.10721	0.5
315.08493	0.3
328.11810	0.2
475.32394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16467	0.2
53.61266	0.3
65.66723	0.3
66.38335	0.2
68.99800	0.3
69.03402	0.7
69.27621	1.1
69.40797	0.3
87.04440	0.6
97.02879	0.4
103.05475	0.4
105.03347	0.3
115.03928	0.5
133.04947	0.5
139.00229	2.0
165.09138	0.4
241.02475	0.6
241.04947	12.4
242.05321	0.5
269.04428	63.2
270.04758	2.6
271.05963	1.0
284.03607	0.7
284.06772	14.2
285.06992	0.4
298.08926	0.3
299.09119	100.0
300.06232	0.5
300.09457	4.6
322.16122	0.3
331.57825	0.3
336.73013	0.3
342.40564	0.3
401.43378	0.3
475.12100	0.7
475.32614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1235
Annotation	Apigenin 7-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
53.03946	0.7
58.89664	0.2
60.76591	0.3
63.03698	0.2
67.01843	0.5
68.99786	0.4
69.03427	1.3
70.58521	0.5
73.02921	0.3
73.60096	0.2
81.03410	2.3
81.25194	0.3
85.02889	0.8
85.19469	0.2
91.05498	0.2
97.02887	0.7
109.02856	1.3
119.04944	1.7
121.02867	0.5
127.03876	1.2
132.11722	0.3
145.02878	0.5
153.01825	4.3
163.03990	0.4
171.02843	0.5
187.06038	1.0
226.05748	0.3
243.06465	0.3
244.26944	0.3
255.55081	0.3
271.05984	100.0
271.99994	0.3
272.06320	4.7
363.08823	0.8
475.15448	0.5
475.21564	5.6
475.31979	0.5
476.21625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1235
Annotation	7-Hydroxy-5,8-dimethoxyflavone 7-glucuronide
Peak:m/z	Relative Intensity
67.63915	0.2
68.99796	0.4
103.05406	0.3
105.03326	0.4
123.20891	0.2
139.00233	2.5
238.03438	0.3
241.04936	15.3
242.05234	0.6
258.95895	0.2
269.04419	67.9
270.04758	3.2
284.06763	15.9
285.07053	0.8
294.17160	0.2
299.09106	100.0
300.09439	5.8
383.97885	0.2
440.44537	0.2
475.12668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1235
Annotation	Acacetin 7-(6''-methylglucuronide)
Peak:m/z	Relative Intensity
50.39330	0.3
64.54485	0.3
68.99784	0.4
70.31258	0.3
81.96079	0.3
83.01345	0.3
85.02899	0.3
85.85805	0.3
91.05447	0.4
94.73358	0.3
95.32870	0.3
102.94223	0.3
103.05463	3.7
105.03391	1.1
105.07014	0.3
126.41439	0.3
131.03960	0.7
131.04918	10.1
133.06470	0.5
137.04362	0.3
141.01753	0.3
168.00516	0.6
169.01297	4.6
173.06001	0.4
179.04865	0.8
181.01248	1.6
199.02293	1.5
213.05486	0.4
224.04671	0.5
231.06364	0.4
241.04901	0.7
242.05743	1.4
252.04144	0.4
269.04407	1.2
270.05212	65.1
271.05627	3.6
273.07565	7.1
284.03149	0.6
284.06567	0.3
285.07553	100.0
286.07852	3.9
299.09033	0.6
313.06955	0.4
371.08057	0.9
439.11780	0.6
457.13083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1232
Annotation	Acacetin 7-(6''-methylglucuronide)
Peak:m/z	Relative Intensity
52.51133	0.3
59.08778	0.3
69.03388	0.4
69.11067	0.7
69.11480	1.6
71.55995	0.3
78.14046	0.3
79.05553	0.3
88.46861	0.3
98.23416	0.7
103.05402	0.5
105.03342	0.7
106.68410	0.3
127.83212	0.3
131.04878	0.4
147.04356	0.6
153.01805	3.1
155.04932	0.3
168.00562	0.6
168.05647	0.8
169.44743	0.3
171.02858	0.6
171.04295	0.5
179.04877	0.9
199.02301	1.3
241.04993	0.7
242.05692	1.1
269.04568	1.7
270.05203	72.4
271.05692	5.1
284.03247	0.6
285.07547	100.0
286.07904	4.2
299.05533	10.8
299.09067	1.5
300.05710	0.6
315.08575	0.6
385.42728	0.4
475.08356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.2
56.05038	2.1
57.03442	0.6
66.60865	0.5
68.05045	1.2
68.34319	0.5
68.99796	1.0
69.03433	1.1
70.06596	3.2
70.18580	0.5
71.06936	0.6
72.08157	0.5
72.53269	0.4
78.91977	0.4
79.05519	0.5
81.03436	0.6
83.01344	6.1
84.04504	61.1
84.08172	0.7
85.02905	5.1
85.04822	0.9
86.06091	0.6
96.04509	0.6
97.02902	1.5
99.04460	0.5
100.07631	1.0
101.07141	5.2
102.05531	2.2
102.09148	0.6
102.19161	0.4
103.05511	0.5
105.07027	1.2
109.02883	0.5
110.09685	0.7
111.04475	0.9
119.04945	1.1
121.02875	7.0
127.03917	1.3
130.05002	85.6
131.05241	0.7
145.04970	1.2
147.07640	100.0
148.07999	1.4
151.00247	5.7
151.03899	3.8
152.04245	1.1
160.05176	0.4
161.05984	0.8
162.11226	0.6
163.03864	1.7
168.93771	0.4
169.01324	41.1
170.01680	0.7
178.99762	1.7
179.03442	0.6
181.04996	1.0
187.03926	0.7
189.01918	0.5
193.08568	0.7
197.00812	21.9
198.01035	0.5
205.01523	0.5
206.99226	12.4
207.02827	0.7
217.05063	0.5
219.02867	1.1
223.02301	1.0
225.00296	93.1
226.00661	1.9
229.03413	0.6
243.01337	6.6
257.02771	0.5
261.03967	1.6
283.05911	0.6
285.04123	0.5
294.05258	1.1
307.05930	1.7
309.07501	0.6
311.05490	16.7
312.05908	1.1
325.07101	1.5
329.06531	22.6
330.06866	1.4
337.07104	3.3
339.07156	1.3
354.09561	0.6
355.07938	1.7
358.22266	0.7
379.08337	0.9
416.13324	0.5
457.11060	0.7
474.31671	0.8
475.12857	0.8
475.19540	0.6
475.31375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
54.85049	0.3
55.01866	0.8
56.06514	0.3
56.31638	0.3
57.03426	1.0
57.40630	0.4
60.05649	0.4
61.02929	1.9
65.03934	2.0
67.05498	1.2
69.03424	3.2
69.53774	0.8
69.54151	0.7
70.06591	1.8
71.01339	0.4
71.05002	0.8
73.02913	1.3
73.03310	0.3
79.05484	0.8
81.03426	2.5
83.04972	0.4
85.02903	9.2
86.09693	0.4
87.00841	0.5
91.03957	0.8
93.03416	0.7
94.10138	0.3
95.04945	1.0
97.02901	3.4
99.04449	1.0
100.07603	1.6
103.05485	0.4
105.04575	0.4
105.07036	3.2
107.04952	0.5
108.02109	1.3
109.02876	2.2
111.04453	1.1
112.03954	0.4
115.05477	0.7
116.07096	0.5
125.06006	0.8
127.03909	3.2
131.04941	0.4
133.06491	3.1
141.05450	1.6
145.04932	0.8
151.03905	100.0
151.04968	6.3
152.03093	0.4
152.04239	1.8
159.02884	0.5
161.05978	6.5
163.05025	0.9
167.06992	0.6
169.04976	2.6
175.11934	1.9
193.08585	6.1
193.10172	0.6
196.17149	0.4
295.08127	1.6
296.08383	0.4
300.80905	0.4
301.03333	1.0
313.09213	7.1
314.09729	0.5
337.06909	1.1
457.11252	0.4
474.31824	0.9
475.18216	1.5
475.32196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70514	0.4
53.03945	1.0
55.01877	2.4
57.03437	2.1
61.02923	2.6
65.03932	1.9
67.05504	2.4
69.03422	6.9
70.06592	5.9
71.01317	0.5
71.04981	1.4
72.04499	0.8
72.08154	3.8
73.02926	0.7
79.05486	0.9
81.03421	4.5
81.07056	0.7
81.15902	0.4
83.04969	0.5
84.04475	0.9
84.08134	1.8
85.02903	12.3
87.04452	1.3
88.02191	0.4
91.03974	0.7
93.03397	0.7
95.04967	1.7
97.02892	6.1
99.04439	3.7
100.07613	10.6
101.07948	0.9
103.05468	1.2
105.07038	2.6
106.78234	0.4
107.04950	0.7
107.08611	0.8
108.02091	2.0
108.17485	0.5
109.02881	3.9
109.10132	0.5
110.09692	4.8
111.04478	2.2
111.10027	0.6
115.05473	0.6
116.07070	0.5
121.02900	0.9
123.04440	1.2
124.11244	0.9
125.05981	0.9
127.03909	6.3
131.04915	1.3
132.05313	0.5
133.06488	2.9
136.11211	0.5
141.05486	1.4
145.04974	1.6
145.42482	0.5
147.07655	0.9
151.03905	100.0
151.04979	6.8
152.04271	2.2
155.11830	1.7
161.05949	4.9
169.04929	3.4
169.13362	0.7
171.14896	2.3
175.11906	1.2
175.66449	0.4
178.15932	1.9
179.03778	0.5
179.16249	0.5
180.17395	0.5
181.04929	0.8
189.01953	0.6
193.08580	3.7
196.16977	3.6
197.17342	0.7
205.05022	0.8
214.06505	0.6
217.05009	0.5
224.16418	1.0
247.05998	1.1
259.06015	0.8
277.07004	0.7
289.07089	1.1
294.05292	0.6
294.25476	1.0
295.08218	2.1
301.03384	0.6
301.06912	0.9
312.26440	1.0
313.09207	8.0
325.09543	0.6
337.06900	1.0
355.08066	1.2
358.22205	4.4
359.22495	2.1
361.09424	0.7
474.31735	10.7
475.32071	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	475.2148
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
58.04186	0.5
69.03426	0.4
70.06602	1.1
71.41595	0.5
72.08138	0.6
73.02901	0.5
74.51463	0.3
77.29537	0.3
80.00521	0.4
80.83881	0.3
85.02900	0.5
86.09712	1.9
87.04473	1.3
89.06033	1.7
95.04967	0.5
97.02917	0.5
103.03951	0.9
105.07049	0.3
119.08564	0.5
121.02854	0.7
129.34210	0.3
130.92752	0.3
133.08618	1.1
133.10068	0.5
176.03407	0.4
222.03818	0.6
271.05960	4.2
294.01849	0.3
305.08682	0.5
339.09686	0.7
339.20215	0.3
355.11243	0.3
355.16373	0.4
363.08954	20.6
364.09351	0.6
365.10568	1.3
475.21497	100.0
475.32614	4.0
476.21823	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	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41969	2.2
53.03928	6.5
55.01866	5.5
55.05498	8.9
56.72091	2.2
57.03432	4.3
59.04989	2.8
61.02906	5.1
63.17143	2.2
65.03926	3.8
67.05489	10.3
67.20170	2.1
68.99792	3.4
69.03426	34.1
69.03762	4.3
69.07052	9.6
69.33989	9.6
70.06591	9.3
71.05003	11.7
72.08163	15.1
73.02905	5.7
77.85045	2.4
79.05485	10.2
81.03414	19.3
81.07048	19.2
83.04970	9.4
83.08612	5.8
84.04488	7.3
84.08124	3.5
85.02409	3.0
85.02905	54.0
85.06538	10.8
86.09703	100.0
87.00831	24.5
87.04464	4.4
88.03973	2.8
91.05487	14.6
93.07041	16.0
95.04967	64.6
95.08593	11.7
97.02892	15.8
97.06529	28.9
97.10249	2.7
99.04453	19.0
99.08079	8.3
101.05946	3.1
102.05527	3.4
105.01863	22.7
105.07021	22.4
107.08601	22.1
108.08871	2.1
109.02889	14.3
109.06519	46.4
109.10159	13.0
111.08088	5.9
115.03936	3.4
115.07562	9.9
117.03358	6.4
117.07011	5.3
119.08580	16.9
120.08091	4.7
121.02868	3.5
121.10122	29.5
123.08053	8.6
123.11655	5.4
125.05973	2.7
125.09657	4.9
127.03908	34.1
127.07457	2.3
129.01781	3.1
129.10188	3.6
131.08556	15.5
133.06454	2.6
133.10127	64.8
135.08037	5.9
135.11685	6.6
137.09654	4.1
139.11192	5.4
141.10199	2.9
144.06516	6.2
145.02866	17.7
145.04945	9.8
145.10126	8.5
147.07936	2.6
147.11673	31.1
149.05986	2.5
149.09581	7.1
149.13284	7.0
151.07571	5.5
151.11220	4.7
153.09114	38.5
155.11789	3.5
158.10847	2.4
159.02919	5.8
162.07582	6.4
163.11172	7.4
163.14813	6.7
165.12762	6.5
167.14359	2.8
171.10222	7.1
173.13222	27.9
177.05444	35.6
183.11311	3.0
191.10741	5.6
191.14307	41.9
201.12276	27.7
209.04166	3.6
209.11928	4.2
209.15347	88.9
213.11200	3.6
215.13997	2.8
225.93314	2.6
227.12758	7.6
227.16388	71.9
229.11768	17.8
231.04976	5.7
247.12923	10.4
261.14499	3.2
276.74344	2.7
333.07782	5.6
335.12521	2.8
342.20163	2.8
475.11426	5.2
475.17612	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31205	2.5
54.66604	2.6
55.01873	7.3
55.05504	6.2
55.52766	2.7
57.03434	7.9
61.02911	6.2
67.05488	9.8
69.03429	41.5
69.07064	12.6
69.22622	12.4
70.06584	5.2
71.04974	10.8
72.08193	3.1
73.02927	7.0
79.05491	12.7
81.03416	23.5
81.07060	18.0
83.04985	9.6
83.08625	7.1
84.08127	3.1
85.02904	70.4
85.06542	13.1
86.06001	2.8
86.09707	42.3
87.00829	34.9
88.03324	3.1
91.05489	15.5
93.07047	16.3
95.04966	72.0
95.05537	6.1
95.08595	13.8
97.02884	19.3
97.06537	34.5
99.04455	20.5
99.08075	7.8
103.03954	4.5
105.01866	23.5
105.07034	28.5
107.08605	31.2
109.02897	17.1
109.06518	58.9
109.10175	15.1
111.04450	3.2
111.08067	8.0
113.09614	3.1
115.07572	10.9
117.03379	6.4
117.06960	3.2
119.08605	19.7
121.02883	3.6
121.06519	5.0
121.10156	35.8
123.08064	12.5
123.11636	4.4
125.09598	4.5
127.03908	28.7
127.07480	3.2
131.08575	22.8
133.06497	3.1
133.10129	62.2
135.08041	9.1
135.11707	4.6
137.05991	2.8
139.11163	5.6
145.02861	13.1
145.04942	7.2
145.10132	9.8
147.11694	41.8
149.09593	8.4
149.13297	5.9
151.03926	6.0
151.11159	4.0
153.09073	34.0
158.10835	4.8
159.02924	5.7
163.11075	3.6
163.14894	5.5
165.12784	9.5
171.10167	9.5
173.13257	34.9
177.05460	20.6
191.10652	5.2
191.14325	48.4
201.12346	10.9
209.11720	7.0
209.15364	100.0
227.12784	11.6
227.16405	80.3
229.11812	8.8
231.05025	5.5
247.12796	4.6
271.06000	3.8
329.06467	6.3
332.46823	3.1
337.06570	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28328	0.9
53.03933	3.3
55.01858	3.4
55.05503	1.9
57.03419	2.4
57.07056	1.1
61.02896	1.0
67.05492	3.1
68.99797	1.0
69.03417	13.4
69.07066	3.5
70.06554	1.0
70.49554	1.2
71.04982	2.7
73.02912	1.9
76.86220	1.0
77.00592	2.8
79.05491	5.3
80.04999	1.0
81.03405	10.6
81.07053	5.8
84.08128	1.2
85.02897	31.4
85.06502	1.4
87.00826	16.5
91.05467	2.3
93.07044	9.3
95.01636	4.0
95.04948	3.4
95.08601	5.4
97.02876	13.7
97.06522	100.0
98.06816	1.3
99.04432	3.6
99.08055	2.1
103.03967	1.7
105.01865	14.6
105.07016	6.7
107.07932	1.5
107.08589	19.4
109.02873	13.3
109.06515	13.7
109.10139	8.5
111.04382	1.5
111.08064	3.6
117.07004	2.7
119.08556	3.3
121.03081	1.0
121.06474	2.6
121.10123	9.1
123.08037	4.1
123.11696	2.0
125.09578	1.7
125.12466	1.1
127.03905	24.2
131.04924	2.3
131.08559	4.0
133.10115	9.0
135.08022	2.7
137.09590	1.9
139.07494	1.5
139.11166	2.8
145.04930	4.7
145.06786	1.0
145.10094	1.0
147.04674	3.4
147.11673	2.6
149.09589	3.7
149.13245	12.2
151.03894	16.2
151.04997	2.0
151.11197	8.4
152.04160	1.2
153.00574	0.9
153.01811	3.7
159.02904	1.1
163.14836	4.6
165.12787	1.3
167.10641	2.8
169.04938	1.5
169.12216	11.9
173.13228	7.9
181.05031	1.0
185.56598	1.0
191.14297	19.7
196.16982	1.3
199.02376	1.7
209.15369	14.2
211.13303	2.0
213.03979	2.9
227.16362	16.5
231.05064	5.0
254.42465	1.0
299.05499	8.0
313.09448	0.9
393.34436	1.2
475.31592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28328	0.9
53.03933	3.3
55.01858	3.4
55.05503	1.9
57.03419	2.4
57.07056	1.1
61.02896	1.0
67.05492	3.1
68.99797	1.0
69.03417	13.4
69.07066	3.5
70.06554	1.0
70.49554	1.2
71.04982	2.7
73.02912	1.9
76.86220	1.0
77.00592	2.8
79.05491	5.3
80.04999	1.0
81.03405	10.6
81.07053	5.8
84.08128	1.2
85.02897	31.4
85.06502	1.4
87.00826	16.5
91.05467	2.3
93.07044	9.3
95.01636	4.0
95.04948	3.4
95.08601	5.4
97.02876	13.7
97.06522	100.0
98.06816	1.3
99.04432	3.6
99.08055	2.1
103.03967	1.7
105.01865	14.6
105.07016	6.7
107.07932	1.5
107.08589	19.4
109.02873	13.3
109.06515	13.7
109.10139	8.5
111.04382	1.5
111.08064	3.6
117.07004	2.7
119.08556	3.3
121.03081	1.0
121.06474	2.6
121.10123	9.1
123.08037	4.1
123.11696	2.0
125.09578	1.7
125.12466	1.1
127.03905	24.2
131.04924	2.3
131.08559	4.0
133.10115	9.0
135.08022	2.7
137.09590	1.9
139.07494	1.5
139.11166	2.8
145.04930	4.7
145.06786	1.0
145.10094	1.0
147.04674	3.4
147.11673	2.6
149.09589	3.7
149.13245	12.2
151.03894	16.2
151.04997	2.0
151.11197	8.4
152.04160	1.2
153.00574	0.9
153.01811	3.7
159.02904	1.1
163.14836	4.6
165.12787	1.3
167.10641	2.8
169.04938	1.5
169.12216	11.9
173.13228	7.9
181.05031	1.0
185.56598	1.0
191.14297	19.7
196.16982	1.3
199.02376	1.7
209.15369	14.2
211.13303	2.0
213.03979	2.9
227.16362	16.5
231.05064	5.0
254.42465	1.0
299.05499	8.0
313.09448	0.9
393.34436	1.2
475.31592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76968	0.3
55.05497	1.3
65.64365	0.3
65.82285	0.3
66.70908	0.3
67.05486	1.1
69.03429	3.6
70.39941	0.7
72.92848	0.3
79.05495	0.5
81.03419	0.6
81.07053	0.8
83.04974	3.8
83.36980	0.3
85.32388	0.3
91.05461	0.9
93.07063	0.7
95.04956	0.7
97.06493	0.4
105.07027	1.0
107.08578	0.5
111.04438	12.6
113.05959	0.3
117.07048	0.5
119.04898	0.3
119.08578	0.7
131.08517	0.6
133.10118	0.5
145.10150	0.8
155.08672	0.4
157.10089	0.4
159.11702	0.6
169.10016	0.3
171.11697	0.5
173.05959	0.3
173.13235	0.6
187.65952	0.3
201.12503	0.3
249.15071	0.3
355.18860	0.5
371.17886	0.4
371.37888	0.4
383.22311	0.4
385.19724	0.6
415.20847	5.3
416.21030	0.7
475.22977	100.0
476.23343	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	475.2302
Annotation	Terretonin D
Peak:m/z	Relative Intensity
55.05510	1.3
59.83788	0.3
67.05482	0.7
69.03421	4.6
71.04963	0.4
79.05476	0.5
81.03404	0.6
81.07049	0.5
83.04977	4.8
91.05476	1.1
93.07014	0.3
95.04963	0.7
95.08615	0.4
105.07021	1.0
107.08596	0.6
107.14307	0.3
109.10137	0.4
111.04432	14.7
113.05994	0.3
117.07017	0.6
119.08605	0.7
121.10098	0.3
125.05894	0.4
129.06993	0.4
131.08565	0.6
133.10144	0.6
143.07039	0.5
143.08580	0.7
145.10124	0.8
146.74730	0.3
155.08600	0.4
157.10104	0.3
159.11687	0.3
165.05298	0.4
167.08507	0.3
169.10088	0.3
171.11699	0.6
173.13179	0.5
181.10141	0.4
183.11595	0.3
209.13345	0.4
211.14664	0.3
256.76389	0.3
332.56750	0.3
333.41711	0.3
353.17279	0.3
355.18796	0.9
355.22644	0.3
383.17944	0.5
383.22336	0.4
385.19684	0.9
415.20862	5.6
475.22971	100.0
476.23349	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	475.24
Annotation	oxyacanthan
Peak:m/z	Relative Intensity
51.91169	0.4
55.05489	0.7
56.05033	2.6
64.89125	0.4
65.42744	0.4
65.97506	0.5
66.59062	0.4
69.07050	0.9
69.76855	1.2
70.06578	1.5
70.14731	0.4
72.08156	2.3
74.06071	1.2
80.13631	0.4
84.04500	42.3
84.08133	1.5
85.02895	2.3
86.09701	100.0
87.10032	1.2
96.13730	0.5
102.05534	27.5
104.07097	12.7
119.04926	0.5
121.02901	2.6
122.06050	2.5
129.06589	4.6
130.04988	1.3
132.10184	0.8
140.07040	0.7
145.02826	0.6
150.05516	1.5
155.69554	0.4
167.08138	8.4
168.06575	4.1
173.02341	0.5
181.04857	0.5
186.07610	1.4
187.14403	1.6
189.01897	1.0
191.03400	0.8
194.02219	0.5
195.07652	6.5
196.06068	0.6
197.12868	2.0
203.10201	0.7
207.02863	0.5
213.08640	4.9
215.13945	3.2
217.13347	1.1
217.15456	21.8
218.15767	0.9
219.02867	1.0
223.07469	0.5
227.23802	0.5
231.09743	14.3
232.10040	0.5
233.14995	0.5
241.05739	0.7
241.08171	9.5
241.10460	0.8
243.13385	2.1
245.07785	0.8
259.09244	24.4
260.09586	0.7
261.14386	1.2
281.08148	0.7
294.05222	3.2
295.05878	1.2
307.05994	4.2
308.06729	0.9
309.07626	1.8
313.07150	0.5
319.05865	0.9
325.07111	3.2
326.17050	3.8
336.15421	0.6
337.07010	10.4
337.10751	0.9
338.07458	0.5
343.13675	1.1
344.18356	0.7
351.08301	0.6
354.16580	5.8
355.08081	6.2
362.19144	0.5
364.84830	0.5
367.08377	0.6
372.17661	3.0
379.07953	2.4
391.08182	1.4
403.08087	0.6
409.09109	0.6
421.09241	1.8
439.10339	1.9
457.11139	2.8
475.17755	17.2
476.21283	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	475.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	4.7
53.03934	6.3
55.01874	3.0
55.05502	17.3
57.07066	4.2
64.20978	2.1
65.03907	3.2
67.05502	31.1
69.07060	20.2
69.12201	15.5
71.08614	6.2
77.03917	4.9
79.05486	34.9
81.07047	61.4
83.04975	30.4
83.08622	2.6
85.06516	3.4
87.04482	2.5
87.87725	2.1
89.06034	2.9
91.05466	42.4
93.07038	51.6
95.04964	42.1
95.08017	4.1
95.08595	53.4
97.06519	6.2
105.03383	100.0
105.04438	12.5
105.07014	82.8
106.03670	3.7
107.08591	54.8
109.06472	8.0
109.10139	22.2
111.11721	2.5
115.05449	2.8
117.07006	11.9
119.08557	42.3
121.06521	5.9
121.10147	24.0
123.07995	2.6
123.11691	6.5
127.01498	2.4
128.06238	2.5
129.07002	7.3
130.07765	2.8
131.08557	27.4
133.10115	83.4
135.11673	15.8
137.13139	2.5
139.01553	7.8
142.07755	4.2
143.08539	15.2
145.10109	33.9
147.11658	23.4
149.13200	6.1
155.08536	3.5
157.10091	13.6
159.11662	29.5
161.13252	16.3
163.14734	4.8
169.10025	4.8
171.11655	12.6
173.13246	25.6
174.63625	2.4
175.14816	9.8
183.11766	5.3
185.13251	6.7
187.14755	13.4
189.16425	6.4
195.11665	3.1
197.13232	4.5
199.14816	9.9
201.16348	25.1
209.13223	2.5
211.14748	2.8
213.16307	5.8
223.14790	3.2
225.16479	3.5
227.17680	3.6
229.19455	3.0
239.18002	3.9
253.19341	3.2
255.21048	4.5
265.19693	3.0
266.67163	2.4
335.27185	3.5
353.28302	10.5
428.81415	2.5
475.20654	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	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47900	1.2
55.01863	1.5
57.03440	15.6
59.04984	3.2
60.04527	3.2
61.02911	1.6
65.02248	1.3
69.03428	45.6
70.06583	2.5
70.17869	4.4
75.04459	3.0
81.03402	2.7
85.02402	2.4
85.02901	33.8
86.09721	3.8
87.04459	29.3
91.05480	7.5
97.02891	40.9
98.23509	1.7
105.07040	4.6
105.71697	1.4
107.13574	1.3
115.03927	54.7
119.04941	16.9
123.04394	1.7
126.24746	1.2
127.03914	4.9
133.04965	51.3
133.06512	4.9
143.22458	1.9
144.06564	1.5
145.05011	2.7
147.04399	100.0
150.07613	14.7
155.98346	1.4
161.05984	9.2
165.05464	49.2
165.06796	2.8
171.04369	2.5
180.08676	1.9
189.05473	7.6
193.08623	6.1
205.78677	1.5
207.06493	9.6
261.07272	2.5
279.08533	4.0
329.11847	1.9
439.78003	1.4
476.20993	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	476.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35368	0.7
53.03939	1.3
53.32162	0.7
55.01869	2.1
56.75290	0.8
57.03424	1.4
57.87200	0.7
68.99789	1.5
69.03426	4.5
69.12038	4.7
71.04980	0.7
73.02923	1.3
77.03910	1.0
79.05487	3.8
81.03413	5.1
81.29141	0.8
85.02900	9.8
87.00814	5.2
88.99430	0.8
90.04699	0.8
91.05463	1.5
95.04955	1.0
97.02897	4.8
98.23512	1.3
99.04453	2.1
103.05436	3.7
105.01870	4.3
105.07027	40.2
106.07349	0.8
108.04485	1.2
109.02872	3.7
115.05457	8.2
118.04161	3.0
123.00782	3.3
126.05508	0.9
127.03934	5.5
131.04936	1.8
133.06491	35.9
137.05959	1.0
139.00279	1.2
143.06036	4.4
145.04968	2.7
159.02872	2.3
161.05975	72.7
168.00537	1.1
169.01414	1.4
171.04456	1.4
183.50143	0.7
193.08591	56.4
194.08965	1.4
199.03812	1.3
210.14774	0.9
211.09686	0.9
219.02991	2.4
231.05000	1.2
245.04465	3.0
248.07579	1.3
251.15762	0.8
255.02907	2.1
273.03955	7.7
283.02362	2.1
286.04623	6.4
301.03452	100.0
301.06952	9.4
302.03793	0.9
354.53815	0.8
407.49734	0.8
482.01028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01872	4.5
56.69533	0.8
57.03415	0.9
60.04507	0.7
68.41045	0.7
69.03419	5.1
73.02906	1.6
79.05487	3.7
81.03419	7.5
84.04501	0.7
85.00629	0.9
85.02905	16.6
87.00823	6.4
91.05498	1.4
97.02888	7.3
97.37045	0.7
98.05990	0.9
99.04448	2.0
102.95301	0.8
103.05482	5.4
105.01850	4.4
105.07026	45.1
106.07320	1.4
108.04514	4.4
108.05096	0.8
109.02872	6.9
115.05451	9.0
117.47562	0.7
118.04150	3.3
126.05509	2.8
127.03925	9.8
129.01842	0.9
131.04912	1.4
133.06487	47.4
134.06821	1.2
143.05000	1.1
143.05995	4.3
145.04939	4.0
159.02908	3.6
161.05975	100.0
162.06364	1.6
192.54060	0.8
193.08600	74.0
194.08884	2.0
204.95728	0.8
211.09692	1.4
230.06604	0.9
231.04912	1.7
248.07703	2.2
281.10699	0.8
480.72977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11492	1.6
55.01875	2.4
56.27603	1.5
57.03437	18.3
59.04999	3.6
60.04523	4.1
61.02931	2.6
69.03424	78.5
70.63036	2.7
75.04496	2.1
81.03432	2.7
85.02900	57.6
87.04464	51.8
97.02886	64.3
103.03941	1.8
105.07039	8.7
107.04946	81.0
107.05679	3.9
108.05237	1.8
109.02920	1.6
113.15389	1.8
115.03925	87.7
124.05190	10.9
127.03922	6.5
129.07013	2.0
133.04959	100.0
133.06508	5.6
137.05981	16.4
145.04950	8.7
150.07614	12.5
162.07591	2.0
165.09111	39.5
165.25177	1.7
168.00464	1.7
189.09143	4.2
201.09192	3.4
207.10164	2.8
241.07184	2.9
243.10095	3.7
259.08127	1.9
269.04459	5.7
270.04785	6.6
277.09464	2.3
286.04666	4.8
299.09109	4.1
300.09442	9.9
301.07077	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	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03427	0.4
57.98993	0.3
61.02914	0.8
63.02356	0.3
65.03924	0.3
67.46407	0.3
68.02776	0.3
68.99783	0.3
69.03421	1.9
69.61958	1.1
73.32128	0.3
81.03429	0.5
85.02407	0.6
85.02907	8.6
91.03910	0.4
91.05476	6.2
97.02886	2.0
99.04439	0.5
105.23806	0.3
109.02865	0.9
115.05453	14.4
116.06285	0.3
117.07013	100.0
118.07337	1.7
120.64759	0.3
127.03922	1.9
131.04956	0.3
139.00258	0.4
142.28491	0.3
145.04942	3.0
151.03897	0.6
163.06009	1.0
163.58038	0.3
169.01337	0.3
186.25505	0.3
206.45940	0.3
212.79698	0.3
219.02942	0.6
219.56723	0.3
245.04398	0.6
269.04404	0.3
273.03964	1.3
286.04974	0.4
287.05469	1.7
301.03433	16.5
301.06882	1.2
357.73718	0.3
475.32535	12.8
476.32864	35.7
477.06732	0.8
477.33194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01868	3.9
57.03434	6.3
57.69576	0.4
59.00379	0.4
59.04976	0.9
60.51495	0.4
61.02628	0.7
61.02920	6.3
61.79515	0.4
67.05479	0.5
69.03426	10.6
69.13166	3.2
70.06593	0.6
71.01337	1.7
71.05008	0.8
73.02914	33.2
79.05489	0.9
81.03421	2.6
81.07070	0.8
84.08155	0.8
85.02901	29.1
85.06513	1.0
87.04465	2.2
91.03967	1.3
91.05505	0.5
95.04961	2.2
96.04477	0.6
97.02888	21.1
99.04459	1.1
103.03934	1.3
105.04514	0.8
105.07043	3.8
107.04948	100.0
108.05277	2.4
109.02880	3.6
111.04420	0.5
115.03919	11.0
119.08576	1.4
121.02835	1.0
124.05205	4.2
127.03904	8.9
132.06560	0.6
133.04961	14.8
133.06505	2.0
133.10126	1.8
137.05971	5.1
144.06552	0.8
145.04945	12.7
147.11723	0.5
150.07651	1.0
151.03793	0.5
162.07701	0.7
163.06042	3.8
165.09106	10.4
175.14789	4.4
177.09129	0.6
180.08707	0.8
187.07571	0.9
189.09113	1.2
193.05008	0.6
193.15863	0.5
199.05974	0.6
201.09065	1.0
215.10651	0.6
217.07001	0.6
223.05951	1.8
241.07187	2.4
243.10175	1.1
259.08112	2.0
261.11234	0.9
279.12009	0.5
286.04633	4.5
301.07053	6.4
324.85535	0.5
476.18280	1.0
476.32703	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	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38947	1.1
53.76582	1.1
55.05512	2.7
56.33411	1.4
57.07059	2.4
57.57353	1.2
59.04993	1.6
60.42360	1.2
63.50349	1.2
65.04771	1.1
67.05499	8.8
69.07063	6.3
70.75285	2.1
79.05460	1.8
81.07044	4.8
83.08562	1.6
91.05473	7.0
93.07030	4.8
95.08598	18.7
105.07030	12.9
107.08578	4.2
109.06507	2.1
109.10143	20.8
117.07043	1.7
119.08569	43.0
119.09421	2.3
121.02857	1.4
121.10149	2.4
131.08575	1.4
133.10112	47.4
134.10440	2.1
135.11662	8.6
137.09602	10.5
145.10110	2.9
147.11670	12.8
149.13232	3.6
151.14780	3.6
157.50314	1.1
160.12437	3.0
168.00540	5.7
175.14806	100.0
176.15143	3.0
186.01614	3.2
193.15871	28.8
194.16110	1.6
195.42905	1.3
273.41626	1.1
286.04663	53.2
301.07031	70.7
476.32809	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	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
53.16530	2.3
55.05492	3.6
55.42384	2.3
58.04211	3.1
67.05511	3.0
69.03419	8.5
69.07048	7.2
71.42954	3.4
73.02934	5.9
81.03436	5.3
81.07037	2.9
82.01719	2.5
83.08595	2.8
85.02895	12.7
87.04460	24.8
89.06020	20.5
90.06367	3.1
91.05500	5.4
93.07026	3.3
95.08636	4.1
97.02907	5.9
105.01948	3.4
105.07022	9.9
106.20329	2.8
106.91760	2.3
107.04933	4.1
107.08583	5.5
109.02851	4.2
109.10155	2.7
110.04657	2.5
119.08566	33.1
121.10105	3.9
124.03889	2.4
127.03906	7.4
133.08624	13.3
133.10114	30.2
145.04951	5.9
145.10095	3.7
147.11678	5.1
156.33331	2.6
173.13370	3.2
175.14809	100.0
176.15172	2.9
193.15839	5.0
228.90688	3.0
253.36241	3.0
269.12103	3.1
286.04697	9.5
301.07034	20.5
303.04758	4.0
476.32654	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	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19065	0.6
59.93221	0.6
66.59257	0.5
69.03427	13.2
71.43464	0.6
88.61604	0.6
95.84235	0.6
96.32676	0.6
113.06001	100.0
114.06345	2.3
131.04880	0.7
180.99345	0.6
243.12320	6.3
286.04819	1.1
292.18048	0.7
300.47726	0.6
301.07169	0.9
390.40863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.1
57.03436	4.5
62.06086	36.3
67.05504	29.4
69.07063	10.2
69.93778	5.1
79.05493	20.5
81.07053	28.6
81.07508	2.2
83.08622	2.5
85.35356	1.3
91.05484	10.1
93.07047	23.1
95.04956	2.6
95.08603	23.8
97.06583	3.0
98.06062	1.9
98.98468	12.1
105.07025	7.5
107.08590	11.4
109.10183	8.2
117.07049	2.2
119.08613	6.3
121.10147	8.1
131.08594	4.8
133.10138	5.0
135.11731	4.7
145.10143	1.6
146.03760	1.5
147.11678	3.7
149.13281	3.1
155.01042	4.8
161.13269	3.0
163.14845	2.4
173.02069	2.7
198.05247	2.3
216.06308	4.5
237.10883	1.4
238.28067	1.6
243.21144	3.2
261.22226	7.2
286.04755	2.9
294.35370	1.7
301.03870	2.1
301.07150	5.0
304.26367	11.8
317.06531	2.8
335.25797	100.0
336.26175	4.4
458.26581	3.0
476.27850	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	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	0.5
53.03926	0.8
53.88375	0.5
55.05509	8.1
57.03435	8.0
57.07069	0.8
60.01825	0.5
62.06066	0.6
62.33255	0.4
65.03932	0.9
67.05501	34.2
69.07066	7.2
69.74371	1.8
71.04977	0.7
74.56643	0.5
79.05486	16.7
81.07053	28.7
83.08602	3.3
85.06531	0.6
91.05470	8.3
93.07037	18.2
93.12231	0.5
95.04954	2.6
95.08598	21.4
97.06535	1.6
97.10171	0.9
98.06037	1.0
98.23448	0.6
98.98474	0.8
105.04496	0.6
105.07022	3.9
105.73571	0.5
107.08588	7.5
109.10149	7.4
111.08060	0.7
117.07011	1.2
119.08566	4.5
119.87309	0.5
121.10128	6.1
123.11671	2.0
124.01569	0.7
124.03937	2.4
131.08508	2.4
133.10121	2.7
135.11673	3.2
143.08562	0.5
145.10121	1.5
147.11681	1.3
149.13219	0.9
159.11714	1.3
161.13223	1.1
187.51628	0.5
212.10422	0.5
216.06439	0.7
239.47363	0.5
261.22070	0.9
301.07022	0.5
304.26303	2.5
335.25769	100.0
336.26233	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	476.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04978	0.4
69.03419	0.6
69.07068	0.3
70.06580	0.6
72.08159	1.1
73.06553	1.3
77.80857	0.3
79.05481	0.6
84.08141	0.4
85.02904	0.7
86.09705	1.5
87.00864	0.3
87.04465	7.5
89.06025	100.0
90.06364	1.1
91.07585	0.5
97.02901	0.5
103.05466	0.5
105.07026	4.4
107.04975	0.5
107.07049	2.5
109.02851	0.4
115.05446	1.2
117.09120	0.6
118.52093	0.3
123.04426	0.4
127.03922	0.5
130.08638	0.5
131.04898	0.3
131.07039	2.0
133.06517	4.0
133.08597	60.2
134.08949	1.0
135.04378	0.3
135.10161	0.4
139.00215	0.4
147.04379	0.6
151.03986	0.3
153.05507	0.3
161.04692	0.5
161.05978	7.0
162.06335	0.5
167.07039	0.9
175.09663	1.3
177.11208	21.1
178.11560	0.5
179.12889	0.4
181.04903	0.4
193.08597	4.6
194.08984	0.3
211.09689	0.3
221.13843	3.1
239.14821	0.7
245.04372	0.3
251.93690	0.3
252.32904	0.3
265.16452	1.1
273.04010	1.3
280.21426	0.3
283.17496	0.9
301.03275	1.9
309.19031	0.4
317.06509	0.5
327.20010	0.9
343.70618	0.3
353.21664	0.3
371.22577	1.0
415.25510	1.5
445.90213	0.3
453.68347	0.3
459.27975	8.7
460.28339	0.4
476.31116	0.3
477.19119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
59.04992	5.5
65.11733	0.3
67.05499	1.2
69.03416	5.2
69.08718	2.5
70.06579	0.8
71.04973	0.4
73.02914	5.2
73.06541	3.1
79.10220	0.4
84.04485	1.0
85.02888	0.6
86.06046	0.8
86.09690	0.9
87.04461	100.0
88.04796	1.8
89.06024	20.8
91.05479	0.4
95.04970	4.2
97.06532	1.4
99.04448	0.8
103.07551	0.5
109.02821	0.3
110.00200	0.4
113.05994	13.9
117.09134	2.1
120.08116	0.6
121.02892	0.4
124.03991	0.5
125.32431	0.4
131.07031	12.9
133.08598	8.0
133.10114	0.5
138.69884	0.5
139.07529	1.5
157.08591	2.8
161.11671	0.4
175.09628	5.4
177.11224	3.7
201.11241	2.9
203.12762	0.4
219.12236	5.0
239.15057	0.5
245.13779	0.5
249.05414	0.4
263.14865	0.5
280.22739	0.4
283.17508	0.5
289.16461	0.5
307.17615	0.5
331.98514	0.4
395.22949	2.2
412.25504	0.5
476.32758	8.3
477.19162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
52.03157	0.3
53.03930	1.2
53.80063	0.2
55.05503	5.5
57.03428	0.3
57.07077	1.0
59.32187	0.2
65.03930	1.3
67.05495	11.1
68.05009	0.3
69.07056	5.4
71.04968	0.2
71.43143	0.2
71.43568	0.2
72.94559	0.2
77.03927	0.7
78.03439	3.2
79.05482	12.8
80.05006	4.1
80.05786	0.4
81.07043	22.5
82.07382	0.5
83.04970	6.1
83.08613	1.6
88.59641	0.2
89.81535	0.2
91.05466	15.5
92.05790	0.3
93.07031	18.6
94.07347	0.3
95.04952	7.1
95.08592	13.9
96.04487	4.4
96.08917	0.3
97.06509	0.6
97.10136	0.6
98.06061	0.3
103.00883	0.2
103.05449	1.1
105.04522	1.1
105.07014	28.6
106.02904	5.2
106.07310	0.4
107.08580	15.4
108.08925	0.4
109.06475	1.1
109.10140	6.8
109.87290	0.2
115.05417	0.6
116.06207	0.5
117.06999	5.5
119.06117	0.5
119.08562	22.4
120.08920	0.6
121.06538	0.3
121.10123	8.6
123.08067	0.5
123.11683	2.2
124.03934	100.0
125.04248	1.1
125.09480	0.2
127.01550	1.0
128.06200	1.0
129.06989	2.6
130.07793	1.5
131.08548	10.5
132.09116	0.2
133.10112	11.6
134.10445	0.4
135.08026	0.5
135.11673	4.0
137.09607	0.2
137.13240	0.3
140.03326	0.2
141.06976	0.8
142.07787	2.0
143.08545	5.4
144.09282	1.6
145.10098	16.4
146.10828	0.4
147.11656	9.3
148.12012	0.3
149.09608	0.3
149.13255	2.0
151.11147	0.3
154.07747	0.3
155.08536	2.1
156.09283	1.4
157.10107	6.7
158.10852	0.7
159.11670	13.7
160.12178	0.7
161.09573	0.3
161.13229	4.0
163.14807	0.7
165.07117	0.3
167.08513	0.6
168.09364	0.3
169.10097	2.8
170.10834	0.6
171.11670	4.4
172.12398	0.4
173.13232	5.0
175.14803	2.1
177.16344	0.4
180.09364	0.3
181.10078	1.1
182.10880	0.4
183.11647	2.5
184.12231	0.2
185.13228	3.8
186.13898	0.3
187.14778	4.1
189.16356	1.4
193.10129	0.4
195.11612	1.3
196.12291	0.6
197.13219	2.6
198.14012	0.2
199.14787	2.9
200.15439	0.2
201.16357	5.1
203.17897	0.4
209.13235	1.2
210.13869	0.2
211.14761	2.1
212.15367	0.3
213.16341	2.9
214.17018	0.3
215.17909	0.8
221.13232	0.4
223.14757	0.8
224.15527	0.2
225.16357	1.3
227.17892	1.7
229.19505	0.3
237.16298	1.0
239.17931	1.0
241.19426	0.7
243.20772	0.2
251.17816	0.8
253.19539	0.9
254.20256	0.3
255.21053	0.8
265.19473	0.7
267.21097	0.8
269.22446	0.3
279.21066	1.0
304.26233	1.5
327.08829	0.2
335.25629	4.4
336.26385	0.3
353.28253	0.8
458.30179	0.6
476.31479	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	476.9794
Annotation	Isorhamnetin 3,4'-di-O-sulfate
Peak:m/z	Relative Intensity
54.11493	0.2
68.99770	0.6
69.03411	0.3
69.09239	1.6
70.06569	0.5
84.02117	0.3
85.02879	0.3
97.02856	0.3
99.00832	0.6
105.29678	0.3
107.04958	2.7
112.01565	0.6
123.00775	0.6
127.00236	0.7
134.03613	1.2
135.04391	1.3
137.02298	1.0
140.01045	1.8
145.02815	0.3
151.03876	0.4
153.01779	0.5
154.02574	0.4
161.02295	0.3
163.03905	0.4
163.07578	0.3
166.07214	0.5
167.06964	0.3
168.00543	10.6
169.01311	1.9
182.02002	0.3
183.02885	14.8
186.01585	4.8
195.10146	1.6
219.02859	0.5
221.08083	0.6
227.03539	0.5
229.04944	0.3
245.04468	0.7
256.03677	0.4
259.06107	0.6
269.04279	0.4
270.05325	0.3
272.03082	0.3
273.03854	1.8
274.04684	1.2
283.02338	0.5
284.03174	0.7
285.03897	0.8
286.04703	1.0
287.05621	0.7
288.06158	0.8
289.07291	0.3
297.03809	1.4
298.04709	1.7
300.02606	5.2
301.03461	17.9
301.06967	2.3
302.04193	29.4
303.04456	1.3
315.04980	13.3
316.05679	2.2
317.06534	100.0
318.06882	4.8
318.10559	0.3
318.73499	0.3
387.79004	0.3
388.56564	0.3
396.01657	0.8
397.02219	39.4
398.02435	1.8
400.26050	0.3
476.97885	8.7
477.98172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1024
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
55.01864	0.3
57.03397	0.3
66.81910	0.3
69.03388	0.9
70.50285	0.6
73.02879	1.2
78.41177	0.3
85.02907	1.5
85.20583	0.2
91.05444	0.4
97.02835	0.8
105.07008	0.3
105.80345	0.2
107.04899	0.8
109.02780	0.3
112.01554	0.3
119.04929	0.5
119.08499	0.4
121.02811	1.2
133.04910	0.3
133.10120	0.3
135.87709	0.3
137.05925	0.4
140.01083	0.4
145.04944	0.3
147.04384	0.6
160.05090	0.3
168.00552	3.2
175.14795	0.6
176.90282	0.3
186.01573	2.2
195.04407	1.0
212.04529	0.3
240.04100	0.3
257.04291	0.4
258.05261	0.9
268.03812	0.3
279.06665	0.3
285.03922	0.8
286.04691	69.2
287.05069	2.0
301.07040	100.0
302.07413	2.4
315.08578	1.4
344.24628	0.3
476.33032	0.4
477.10297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1027
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
51.50478	0.1
57.03216	0.1
69.47437	0.7
75.34309	0.2
75.38828	0.1
85.02835	0.2
95.61878	0.1
107.49730	0.1
119.04837	0.4
120.05674	0.4
121.02874	0.8
147.04285	0.5
160.05106	0.4
168.00549	1.6
184.05118	0.3
186.01613	0.8
187.03804	0.2
195.02782	0.2
195.04396	1.7
202.06209	0.2
209.07520	0.2
212.04605	0.2
213.05342	0.2
234.05128	0.5
240.04198	0.6
257.04425	0.4
258.05258	0.8
268.03561	0.4
285.03854	1.1
286.04684	70.3
287.04980	2.0
300.02765	0.3
301.07037	100.0
302.03983	0.2
302.07391	3.1
416.56885	0.2
476.32907	0.3
477.10272	1.0
477.17017	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	477.1026
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
60.63894	0.2
69.83698	0.7
85.02858	0.8
91.05445	0.4
109.85121	0.2
112.01561	0.4
119.04864	0.8
120.74847	0.2
121.02866	1.3
127.00277	0.3
131.04884	0.3
140.01006	0.9
156.51294	0.2
163.03992	0.2
164.40045	0.2
167.99104	0.4
168.00529	7.3
169.01282	0.3
186.01587	3.4
187.01880	0.2
195.04399	0.3
258.05240	0.8
269.04510	0.3
283.06079	0.3
285.03860	0.3
286.04688	64.7
287.05072	2.3
301.07034	100.0
302.07370	3.2
315.08554	0.8
477.10086	0.4
478.10986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1026
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
56.94010	0.1
57.50138	0.1
63.31995	0.2
68.83009	0.1
68.99802	0.5
69.20677	0.5
69.21085	0.2
71.01347	0.2
71.03486	0.1
73.02934	0.1
84.02116	0.3
85.02898	0.3
85.58932	0.1
90.77639	0.1
91.05477	0.6
98.22718	0.3
98.99390	0.1
99.00814	0.5
103.05396	0.1
107.04990	0.1
112.01585	0.9
118.04203	0.2
119.04956	0.8
121.02874	0.7
123.00816	0.5
124.69766	0.1
127.00263	0.7
133.06514	0.1
140.01057	1.6
153.01900	0.2
154.99710	0.2
159.02646	0.1
166.84763	0.1
168.00540	11.4
168.05670	0.2
169.01353	0.7
170.03708	0.2
183.02907	1.7
186.01601	6.4
194.03645	0.1
229.04906	0.2
240.04091	0.2
257.04623	0.1
258.05246	3.2
259.05423	0.1
268.03653	1.6
269.04370	0.8
273.03970	0.2
285.03922	2.0
286.04709	48.8
287.05414	7.2
288.05716	0.2
301.07047	100.0
302.04153	0.3
302.07364	3.6
317.06546	1.1
397.02148	0.3
477.10379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.103
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
57.03436	0.3
61.02905	0.3
65.64431	0.2
69.03416	0.7
69.05984	0.9
69.06404	0.8
79.33910	0.2
81.03404	0.2
84.02087	0.2
84.35619	0.3
84.41305	0.2
85.02909	1.7
91.05478	0.8
97.02882	0.8
98.23442	0.4
105.07022	0.3
107.87038	0.2
108.02102	0.3
109.48686	0.2
112.01582	0.7
118.04160	1.4
119.04919	0.7
121.02890	0.5
125.63754	0.2
127.03852	0.3
130.02943	0.2
136.01541	0.9
140.01028	1.4
152.00996	1.1
153.01804	1.2
154.02583	0.7
165.01822	0.2
168.00546	9.5
169.01305	2.3
170.02100	0.3
181.01358	0.5
182.02223	0.6
186.01595	3.9
197.02913	0.3
197.04431	1.3
197.06049	0.3
198.01620	0.6
226.06227	0.4
236.04865	0.3
242.05582	0.3
253.04878	1.2
254.05739	3.7
257.04660	0.3
258.05203	2.0
268.03674	1.7
269.04395	1.5
270.05154	0.6
271.06003	8.5
273.07642	0.3
281.04520	0.9
282.05197	4.0
283.05923	1.8
285.03906	1.2
285.06735	0.2
286.04703	26.9
287.05057	0.8
299.05505	8.3
300.06268	11.5
301.07053	100.0
302.07425	4.2
315.08609	61.4
316.08932	2.3
477.10236	11.1
478.10699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1026
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
52.37266	0.2
57.03422	0.3
61.82562	0.2
62.32257	0.2
68.99800	0.2
69.55752	1.0
71.01347	0.8
73.02895	1.1
76.12105	0.2
85.02890	1.5
86.05148	0.3
91.05470	1.2
99.00813	0.3
101.02377	0.4
111.16260	0.2
112.01570	0.6
113.02357	0.7
119.04942	0.7
120.37886	0.2
121.02855	0.4
124.52613	0.2
127.00305	0.3
131.03397	0.3
140.01048	1.2
153.01775	0.4
155.73415	0.2
159.02946	0.4
168.00536	9.4
169.01270	0.8
178.82594	0.2
183.01222	0.4
183.02875	8.9
186.01581	3.6
254.05722	0.6
258.05203	2.4
268.03717	1.1
269.04379	0.6
271.05920	0.5
282.05145	0.5
285.03934	1.3
286.04694	25.6
287.05161	1.3
296.03052	0.4
299.05682	0.4
300.06323	1.1
301.07043	100.0
302.07376	4.1
311.05466	0.8
315.08600	3.6
477.10123	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	477.1393
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
51.86251	0.2
57.03431	0.4
58.08149	0.3
61.02904	0.2
69.03415	0.7
69.73557	0.9
69.80125	0.2
76.44398	0.2
81.03413	0.2
83.02218	0.2
85.02877	1.5
91.05474	0.4
97.02847	0.5
98.22792	0.3
107.17721	0.2
108.02159	0.3
118.04156	1.7
119.04948	0.3
121.02885	0.3
127.03867	0.4
136.01512	1.2
145.04956	0.3
152.01053	1.3
153.01810	0.8
154.02599	0.5
165.01691	0.3
169.01303	2.1
170.02008	0.3
181.01260	0.8
182.02032	1.1
197.04428	2.1
198.01572	0.8
226.06248	0.3
242.05769	0.4
246.42270	0.3
253.04973	1.5
254.05724	4.5
269.04425	0.5
270.05145	0.7
271.06003	12.2
271.73160	0.3
272.06464	0.5
281.04333	1.1
282.05191	6.5
283.05966	2.8
285.03961	0.7
286.04715	0.6
299.02066	0.5
299.05484	11.5
300.06268	15.2
301.06842	0.8
315.08606	100.0
316.08969	4.0
477.13824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1392
Annotation	Irisolidone 7-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03966	0.5
57.46539	0.3
67.04374	0.4
69.03422	1.1
69.24064	1.4
77.68497	0.4
81.03413	0.8
85.02905	2.7
87.41559	0.3
91.05480	0.7
91.86959	0.3
92.23804	0.3
97.02857	0.9
98.23425	0.8
108.02105	0.6
118.04140	1.3
119.04951	0.4
121.02872	0.7
122.91233	0.4
124.01545	0.7
127.03914	0.4
129.69972	0.3
136.01558	1.5
152.01018	1.2
153.01871	0.9
154.02611	1.0
170.02115	0.5
181.01302	0.9
182.02112	0.9
193.99747	0.4
197.04396	2.0
198.01552	0.9
226.06128	0.4
253.05011	1.7
254.05731	4.9
254.08171	0.5
255.06355	0.4
257.04657	0.4
258.05267	1.0
269.04428	1.0
270.05182	0.7
271.06000	12.4
281.04477	1.2
282.05212	5.5
283.05902	2.1
285.03851	0.5
286.04745	2.9
287.05057	0.3
299.05496	10.9
300.06256	16.7
301.07050	10.5
315.08594	100.0
316.08929	4.6
360.58902	0.4
477.10388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1387
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
64.12122	0.6
69.03401	1.0
69.27233	2.9
73.15817	0.5
79.45316	0.5
83.52316	0.5
85.02886	2.6
118.04189	0.6
121.02876	0.7
121.67865	0.5
136.01538	1.2
140.01018	1.7
150.67607	0.6
166.82729	0.6
168.00528	11.3
169.01315	1.8
182.02016	0.8
186.01593	5.6
192.50735	0.6
254.05626	3.2
258.05185	3.6
268.03745	1.7
268.90430	0.6
269.04492	0.7
270.05154	1.2
271.05966	15.2
282.05243	1.3
283.06091	3.1
285.03906	2.6
286.04681	17.7
287.05414	2.1
299.05481	16.6
300.06250	14.7
301.07040	100.0
302.07388	4.9
315.08594	75.3
316.08948	3.0
477.10193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1394
Annotation	Irisolidone 7-O-beta-D-glucoside
Peak:m/z	Relative Intensity
56.47307	0.3
59.80976	0.3
60.04136	0.3
62.61720	0.3
68.99789	0.4
69.03412	1.2
69.18250	2.0
69.52710	0.3
73.02909	0.5
81.03394	0.5
85.02901	2.4
87.04472	0.3
91.05485	0.8
92.20459	0.3
97.02878	1.1
98.22712	0.6
105.07021	0.4
107.04935	0.4
109.02836	0.4
118.04137	1.2
119.04928	1.0
121.02868	0.7
127.00275	0.4
127.03932	0.8
136.01537	0.6
139.00165	0.5
140.01004	0.7
142.01363	0.3
145.04887	0.5
147.04369	0.4
152.01006	1.0
153.01765	0.6
154.02586	0.7
159.25346	0.3
168.00552	4.4
169.01216	0.5
181.01346	0.7
182.02087	1.2
183.02840	2.2
186.01622	2.2
187.64627	0.3
189.09068	0.4
197.04419	2.4
197.05954	0.4
198.01630	0.5
242.05679	0.3
253.04898	1.7
254.05719	4.5
257.04337	0.6
258.05170	1.1
268.03705	0.7
269.04477	1.6
270.05063	0.7
271.05988	11.0
272.06342	0.5
281.04562	0.8
282.05249	5.1
283.06012	2.7
285.03842	1.1
286.04697	21.5
287.05121	1.5
287.09146	0.4
299.05490	11.1
300.06265	15.8
300.09195	0.5
301.07031	58.6
302.07367	2.6
315.08594	100.0
316.08942	4.2
458.56693	0.3
477.09970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1392
Annotation	Irisolidone 7-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03912	0.1
55.01857	0.2
57.03415	0.2
57.13522	0.1
61.02896	0.3
61.03178	0.1
64.68356	0.1
68.99803	0.1
69.03131	0.1
69.03422	0.9
69.87487	0.2
69.87832	0.1
71.04966	0.1
73.02885	0.2
74.01772	0.1
80.02582	0.1
81.03390	0.4
82.29228	0.1
85.02906	1.9
87.04475	0.2
91.03927	0.2
91.05487	0.4
96.01987	0.1
97.02883	0.7
98.23435	0.1
99.04436	0.1
103.05433	0.1
107.04932	0.1
108.02062	0.2
109.02827	0.2
118.03341	0.1
118.04150	1.9
119.05004	0.5
120.05729	0.2
121.02865	0.6
124.01602	0.4
127.03915	0.4
131.04849	0.1
136.01566	1.2
139.00235	0.3
145.04907	0.3
147.04370	0.1
151.00256	0.3
152.01031	1.2
153.01823	1.0
154.02621	1.0
164.01033	0.2
165.01823	0.2
166.99788	0.1
168.00572	0.4
169.01256	0.1
170.02080	0.4
170.07249	0.1
180.00464	0.2
181.01311	0.7
182.02086	1.0
186.01653	0.2
197.04436	2.5
197.05971	0.1
198.01599	0.8
200.03087	0.2
207.02814	0.1
207.58397	0.1
212.04819	0.1
224.04047	0.1
225.05458	0.3
226.06242	0.4
236.04678	0.3
237.05397	0.2
242.05647	0.3
243.06400	0.1
252.04088	0.1
253.04951	1.9
254.05717	5.6
255.06239	0.3
257.04385	0.4
258.04987	0.1
264.04099	0.1
265.04919	0.2
269.04404	1.0
270.05219	0.7
271.05991	12.2
272.06448	0.5
281.04453	1.2
282.05206	5.5
283.05942	2.7
284.06549	0.2
285.03912	0.7
286.04706	4.1
287.05032	0.1
293.04120	0.2
297.03937	0.1
299.05484	11.6
300.06256	16.3
301.07007	5.4
302.07288	0.2
315.08594	100.0
316.08957	4.2
325.07050	0.2
451.71234	0.1
477.13968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1391
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.96185	0.3
56.63346	0.4
69.03419	1.0
69.28752	1.8
81.03407	0.5
85.02897	2.4
91.05460	0.4
97.02898	0.5
98.22711	0.8
108.02113	0.5
115.73267	0.3
118.04143	2.0
127.03941	0.4
136.01569	1.1
136.75246	0.4
145.05008	0.5
152.01031	1.5
153.01810	0.9
154.02615	1.1
156.60464	0.4
168.00533	0.9
170.02031	0.5
181.01286	0.8
182.02069	1.0
197.04424	1.9
200.03323	0.4
223.42792	0.3
226.06172	0.4
239.81235	0.4
242.05678	0.4
253.04930	2.1
254.05728	4.7
269.04379	1.2
270.05258	3.5
271.05997	11.7
272.06393	0.8
281.04489	1.1
282.05225	4.9
283.05981	3.3
284.07028	0.4
285.04099	0.7
285.07532	4.3
286.04745	3.9
299.05487	10.5
300.06265	15.3
301.06979	9.3
315.08597	100.0
316.08957	4.9
333.59525	0.4
419.31317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47307	0.3
59.80976	0.3
60.04136	0.3
62.61720	0.3
68.99789	0.4
69.03412	1.2
69.18250	2.0
69.52710	0.3
73.02909	0.5
81.03394	0.5
85.02901	2.4
87.04472	0.3
91.05485	0.8
92.20459	0.3
97.02878	1.1
98.22712	0.6
105.07021	0.4
107.04935	0.4
109.02836	0.4
118.04137	1.2
119.04928	1.0
121.02868	0.7
127.00275	0.4
127.03932	0.8
136.01537	0.6
139.00165	0.5
140.01004	0.7
142.01363	0.3
145.04887	0.5
147.04369	0.4
152.01006	1.0
153.01765	0.6
154.02586	0.7
159.25346	0.3
168.00552	4.4
169.01216	0.5
181.01346	0.7
182.02087	1.2
183.02840	2.2
186.01622	2.2
187.64627	0.3
189.09068	0.4
197.04419	2.4
197.05954	0.4
198.01630	0.5
242.05679	0.3
253.04898	1.7
254.05719	4.5
257.04337	0.6
258.05170	1.1
268.03705	0.7
269.04477	1.6
270.05063	0.7
271.05988	11.0
272.06342	0.5
281.04562	0.8
282.05249	5.1
283.06012	2.7
285.03842	1.1
286.04697	21.5
287.05121	1.5
287.09146	0.4
299.05490	11.1
300.06265	15.8
300.09195	0.5
301.07031	58.6
302.07367	2.6
315.08594	100.0
316.08942	4.2
458.56693	0.3
477.09970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.8
68.51620	1.2
69.03415	3.4
70.50687	2.1
71.04968	1.2
79.05486	1.5
81.03410	1.5
84.04498	1.6
85.02911	7.9
86.09702	1.5
91.05470	3.3
95.08585	1.3
97.02887	2.9
98.23421	1.3
105.07000	1.7
107.04932	2.6
107.08593	2.3
119.04965	1.4
127.03916	1.6
147.04359	2.2
153.09111	1.8
157.10185	1.2
159.11766	2.0
171.11754	1.7
173.13367	1.6
181.04987	3.1
185.88075	1.2
209.13257	1.5
229.08589	7.1
231.09380	1.2
287.05469	2.9
298.70569	1.1
301.07019	2.4
315.19604	2.6
325.08740	1.5
360.48654	1.3
476.32776	18.6
477.17346	100.0
477.32913	5.2
478.17676	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	477.1732
Annotation	7-Acetoxy-8-hydroxylophotoxin
Peak:m/z	Relative Intensity
51.69609	0.7
54.43137	0.7
57.03423	0.6
59.19519	0.6
69.03427	2.0
81.03418	1.1
85.02912	3.7
86.09723	0.7
91.05478	1.5
97.02900	1.4
105.07048	0.8
107.04945	1.1
115.82229	0.6
119.04906	1.1
127.03962	0.9
135.04370	1.2
145.10112	1.2
153.09181	1.2
155.76317	0.6
159.11710	1.1
160.05122	0.6
167.65434	0.7
170.10876	0.8
173.13269	0.7
185.13330	0.9
197.13293	0.9
207.06583	0.7
229.08650	2.2
285.08319	0.7
287.05466	0.7
323.45996	0.7
345.80066	0.7
469.12442	0.7
476.32925	6.6
477.17337	100.0
477.32422	2.0
478.17459	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	477.1887
Annotation	Garcinisidone C
Peak:m/z	Relative Intensity
54.31046	1.0
55.05515	1.0
57.12661	0.9
67.05502	1.3
69.03452	1.0
70.65109	1.0
74.09000	1.0
74.65641	0.9
79.05482	1.4
81.03451	1.1
81.07037	1.0
84.65502	1.2
91.05490	1.4
93.07043	1.2
95.08619	1.4
97.10139	1.2
105.07050	1.3
118.83512	0.9
119.08543	1.2
165.09087	2.1
286.04648	8.7
301.07068	14.4
375.03766	1.5
477.18829	100.0
478.19174	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	477.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21136	1.1
55.01876	1.1
55.05509	2.5
56.73034	1.1
59.05005	6.7
67.05504	3.1
69.03435	2.5
69.32041	5.6
71.04934	1.2
73.02883	1.3
79.05492	4.1
81.03433	2.9
81.07086	2.4
85.02919	1.6
86.09724	1.2
87.04479	1.2
89.06042	2.7
91.05486	3.8
93.07052	2.9
95.04961	2.3
95.08655	1.3
103.07600	4.9
107.08572	1.7
109.02917	2.0
109.06499	1.3
109.10124	1.3
112.88668	1.1
119.04948	1.6
119.08582	1.9
120.08183	1.2
121.04599	1.3
121.06548	1.3
127.01578	5.3
131.08611	1.9
133.10141	2.3
135.11664	1.6
143.05867	1.5
145.06467	1.5
149.09593	2.0
153.03149	4.0
155.08705	1.2
163.03925	1.2
169.01396	2.1
197.05704	1.9
285.07602	2.2
286.04758	2.0
287.05487	24.4
287.08539	1.3
288.05716	1.5
301.07028	3.6
315.08627	5.7
366.38519	1.2
367.22726	1.8
375.57745	1.4
385.23651	3.9
459.27197	3.6
477.18866	100.0
477.28372	10.1
478.19327	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	477.1886
Annotation	Garcinisidone C
Peak:m/z	Relative Intensity
51.21136	1.1
55.01876	1.1
55.05509	2.5
56.73034	1.1
59.05005	6.7
67.05504	3.1
69.03435	2.5
69.32041	5.6
71.04934	1.2
73.02883	1.3
79.05492	4.1
81.03433	2.9
81.07086	2.4
85.02919	1.6
86.09724	1.2
87.04479	1.2
89.06042	2.7
91.05486	3.8
93.07052	2.9
95.04961	2.3
95.08655	1.3
103.07600	4.9
107.08572	1.7
109.02917	2.0
109.06499	1.3
109.10124	1.3
112.88668	1.1
119.04948	1.6
119.08582	1.9
120.08183	1.2
121.04599	1.3
121.06548	1.3
127.01578	5.3
131.08611	1.9
133.10141	2.3
135.11664	1.6
143.05867	1.5
145.06467	1.5
149.09593	2.0
153.03149	4.0
155.08705	1.2
163.03925	1.2
169.01396	2.1
197.05704	1.9
285.07602	2.2
286.04758	2.0
287.05487	24.4
287.08539	1.3
288.05716	1.5
301.07028	3.6
315.08627	5.7
366.38519	1.2
367.22726	1.8
375.57745	1.4
385.23651	3.9
459.27197	3.6
477.18866	100.0
477.28372	10.1
478.19327	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	477.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19534	1.5
55.05508	3.9
60.67479	1.4
65.03927	1.7
67.05499	5.1
69.03440	1.7
69.76419	3.7
69.76803	3.8
79.05483	3.3
81.03409	2.1
81.07056	3.8
83.08633	3.2
83.32488	1.5
85.02913	2.0
91.05481	6.5
93.07034	3.3
95.04970	3.6
96.73600	1.7
97.10166	1.9
98.22713	1.9
105.07048	2.8
106.98866	1.5
107.04973	1.8
117.07031	2.8
119.08613	2.3
121.10205	2.6
123.11688	1.9
125.09628	2.3
133.10153	2.5
143.08466	2.1
145.10156	2.0
147.04422	1.7
159.11623	1.6
165.09157	4.1
169.01404	3.1
186.60669	1.8
193.12221	2.0
197.58324	1.5
199.80075	1.5
229.10596	2.7
254.05858	2.2
269.60648	1.6
271.06033	5.9
282.05103	3.2
283.05948	1.9
286.04672	37.5
287.05127	2.9
299.05582	4.5
300.06274	11.4
301.07053	48.1
302.07413	2.1
315.04883	3.6
315.08588	74.6
316.08844	2.8
385.23660	4.0
459.27322	4.1
477.18845	100.0
477.28564	3.7
478.19598	4.1
484.34091	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	477.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57455	0.4
61.62358	0.4
68.81563	0.5
69.24036	2.9
70.06586	2.0
72.08150	0.5
73.45970	0.5
84.04491	0.8
84.08134	0.7
85.02899	0.7
86.09717	1.0
96.07794	0.6
97.02872	0.6
137.56610	0.6
147.04393	1.0
151.03841	1.4
153.87155	0.5
161.06013	0.8
162.06303	0.9
163.31216	0.5
167.06947	1.2
193.08571	1.0
215.16743	0.5
215.42538	0.5
216.89905	0.5
230.88768	0.5
345.15228	8.0
477.19421	100.0
478.19714	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	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01871	13.4
55.05507	52.5
57.03426	8.2
59.04993	2.4
65.03948	2.9
67.05499	48.6
69.03420	8.7
69.07056	14.3
71.04984	4.5
77.03947	1.5
79.05486	55.5
81.03410	21.6
81.07048	43.1
83.04971	7.1
83.08604	27.8
85.02892	3.5
85.06527	2.4
87.04466	1.6
91.05470	33.1
93.07034	26.5
95.04966	24.9
95.08595	19.1
97.06525	6.6
97.10162	48.5
99.73562	1.7
103.05494	1.9
105.04544	3.6
105.07021	24.5
107.04938	34.0
107.08592	30.8
109.06502	10.4
109.10152	12.8
111.04463	2.0
111.08070	4.7
113.05991	1.8
115.05434	4.8
117.07009	13.1
119.04949	1.7
119.08556	14.2
121.02820	1.5
121.06503	21.1
121.10158	8.1
123.04432	3.0
123.08043	9.6
123.11751	2.2
125.09617	38.2
128.06195	3.5
129.07002	15.1
131.04913	4.8
131.07031	2.8
131.08539	16.1
133.06479	11.9
133.10139	11.5
133.10991	1.8
135.04295	2.0
135.08070	11.6
135.11656	3.3
137.05991	2.8
141.06972	3.7
142.07788	2.6
143.08562	8.9
145.06470	17.1
145.10115	8.9
147.04384	3.0
147.08038	10.7
147.11659	11.7
149.09615	6.1
153.09096	9.8
153.12720	2.9
155.08502	5.6
157.06508	4.1
157.10126	9.4
159.08099	4.5
159.11702	4.7
161.05943	3.8
161.09612	4.8
163.07574	1.7
163.11188	6.7
167.08559	2.1
168.09317	1.8
168.95058	1.5
169.06509	1.5
169.10138	5.5
171.08081	5.0
171.10233	2.1
171.11699	7.0
173.09619	5.2
175.07533	2.5
175.11115	7.9
177.12691	3.2
179.08546	1.7
181.10127	4.9
183.08177	2.8
183.11702	2.6
185.09569	4.1
187.11201	3.8
187.14807	2.0
189.09392	3.1
189.11215	25.8
189.12737	4.0
191.10669	1.8
193.10612	2.5
193.12209	14.9
195.08102	2.8
195.11606	3.4
197.09633	2.6
197.13240	4.3
199.11217	6.2
201.12666	2.3
203.14345	2.3
205.12242	3.9
209.13226	2.3
211.13217	4.4
213.12804	4.4
215.14308	8.0
217.12213	5.7
219.13786	1.9
223.11186	2.4
223.13249	4.4
225.12706	2.7
227.12744	5.9
227.14554	2.7
231.13789	4.2
233.15317	14.1
235.13174	3.0
237.12724	4.0
241.14389	4.4
245.15355	1.9
249.14839	3.1
251.16197	1.7
255.13908	4.3
259.13312	2.2
267.15887	7.1
271.16873	2.6
273.14850	21.1
275.16431	2.2
281.15274	1.6
287.16452	2.7
291.15851	5.1
321.22153	2.5
331.20316	3.2
339.23206	8.7
349.21542	20.2
350.22556	1.8
357.24216	9.4
367.22672	51.9
368.22974	3.4
385.23691	100.0
386.24130	6.9
403.24777	23.3
404.25079	2.0
423.24695	2.7
441.26257	7.0
442.25830	1.8
459.27338	57.0
460.27524	2.5
477.15594	2.8
477.28482	38.6
478.28540	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	477.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
58.36375	0.7
63.56241	0.7
68.99411	0.8
69.16199	5.1
73.63767	0.7
79.05493	2.9
81.07043	0.8
89.06028	1.3
91.05470	1.2
93.07082	0.8
95.04967	1.1
103.05447	1.8
105.03447	0.8
105.07025	39.6
106.07310	0.9
124.03909	0.9
135.63655	0.8
147.08102	0.8
192.80708	0.9
236.29750	0.8
251.14261	4.7
281.43890	0.9
311.17978	0.9
423.61636	0.9
445.29227	23.1
447.31107	1.3
469.73825	0.8
477.31827	100.0
478.32263	6.5
484.06870	0.8
489.53683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3549
Annotation	28-Homodolichosterone
Peak:m/z	Relative Intensity
59.74744	0.8
69.31485	4.3
72.19680	0.9
77.23038	0.8
79.05487	0.8
95.08580	1.0
228.02034	0.8
286.04633	1.2
301.07043	1.7
361.50049	0.8
367.24493	19.8
368.24838	1.2
431.90988	0.8
439.59756	0.9
477.35483	100.0
478.35730	5.7
502.86880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01862	4.5
57.03427	2.5
61.02914	3.8
68.99782	2.3
69.03070	1.1
69.03426	16.6
69.25152	2.0
69.25554	3.5
70.06576	1.1
71.04984	3.6
73.02908	2.8
76.62695	1.0
78.04697	1.0
79.05474	3.1
81.02957	1.6
81.03409	17.6
84.08122	1.7
85.02895	39.6
87.00826	16.9
90.05564	1.6
91.03898	1.4
91.05479	1.5
95.04970	2.9
97.02881	14.4
99.04441	7.5
103.05463	3.0
104.05323	1.2
105.01853	9.6
105.07027	2.1
107.04948	29.0
108.04470	3.8
109.02869	12.7
115.05465	1.1
117.01821	1.9
117.07014	1.3
121.06492	1.2
123.04395	1.7
125.06039	1.0
126.05508	2.0
127.03905	21.6
129.01816	1.1
131.04936	1.6
135.08052	9.8
145.04965	8.5
147.07608	1.4
154.06210	1.3
159.02864	9.8
163.07533	28.2
167.07024	71.5
168.07504	1.3
169.01277	1.1
177.05296	1.2
180.07857	1.9
181.08592	5.7
195.10139	23.0
195.11917	1.2
205.08644	1.2
213.11200	100.0
214.11588	2.7
230.06599	2.1
231.05009	4.3
237.11195	2.4
248.07588	1.6
266.08432	1.3
271.09567	1.1
275.05472	1.3
279.12222	1.5
285.11218	1.8
303.04886	2.3
303.12253	5.6
321.13242	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	478.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.72126	0.5
55.01869	1.5
56.63319	0.4
57.03439	2.8
57.52285	0.5
59.05003	0.6
61.02926	2.8
69.03428	8.0
69.27581	3.1
71.04996	1.2
73.02922	1.1
78.03446	0.8
81.03407	3.8
85.02903	44.5
87.04494	0.5
91.03961	1.5
96.04489	100.0
97.02888	12.1
97.04829	0.9
99.04465	2.3
105.62540	0.5
109.02869	3.2
127.03907	8.0
136.07509	0.9
145.04950	10.0
147.04488	0.5
154.08623	55.0
155.09067	0.7
163.06038	2.1
169.01260	3.0
236.91026	0.7
257.04434	0.6
264.60266	0.5
302.03989	1.6
303.04977	12.5
303.08438	0.7
316.13898	4.7
317.06696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35232	3.9
55.47203	3.8
57.03436	9.5
60.33947	3.4
61.89832	3.5
69.03439	9.0
71.04993	48.0
75.04493	4.2
79.05476	9.3
83.04980	10.9
85.02903	100.0
91.05489	18.7
95.04979	11.8
97.02895	13.9
107.04942	27.4
109.02869	6.9
111.04447	9.8
119.04957	7.3
123.04417	46.4
124.99667	3.7
127.03939	9.2
129.05466	17.6
135.04399	84.9
135.05353	6.6
137.05988	71.5
145.04967	16.8
147.06532	10.6
153.05466	81.3
170.58461	4.3
177.05453	4.8
185.27213	5.4
238.53421	3.8
315.25458	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01868	6.2
55.05510	2.3
57.03429	5.6
57.07067	6.8
61.02935	8.5
67.05498	5.1
67.08958	1.5
68.99770	1.7
69.03426	33.8
69.07065	5.8
71.05000	3.4
73.02917	3.1
76.34258	1.5
77.03926	1.4
79.05490	38.5
81.03416	20.7
81.07049	7.1
83.04978	8.9
83.08602	1.7
85.02901	86.2
87.00829	37.4
87.04471	2.2
91.05463	7.1
93.07042	39.5
93.07606	2.9
95.04967	5.2
95.08588	6.1
97.02892	24.9
97.06542	7.4
97.10167	2.4
99.04458	10.7
105.01866	45.7
105.03349	1.8
105.07011	3.2
107.04966	6.9
107.08585	15.6
108.04472	19.0
109.02878	26.0
109.06522	4.3
117.01817	2.4
119.08569	1.9
121.02892	2.7
121.06503	3.8
121.10144	2.6
123.08066	1.9
125.05978	16.0
126.05502	8.3
127.01730	1.6
127.03907	55.5
129.01820	3.7
131.08583	3.6
133.10124	12.1
135.11687	100.0
137.05936	1.8
139.07520	12.1
145.04959	19.8
147.02890	2.8
147.11711	1.5
149.13264	7.8
153.03125	2.3
153.09082	1.8
153.12755	2.5
159.02898	9.1
159.03993	1.5
159.11685	4.3
177.12738	21.3
195.13794	86.6
196.14145	2.1
207.03458	1.5
213.03946	3.7
213.14929	8.2
230.08130	8.7
231.04930	19.2
247.06116	2.9
248.07663	2.0
249.06067	5.1
257.04346	1.9
258.04837	1.9
260.10193	1.6
265.07098	1.9
285.03940	2.8
286.04291	2.0
303.04916	4.3
386.23889	2.4
477.31375	2.1
479.18484	4.5
479.29929	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	478.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01868	6.2
55.05510	2.3
57.03429	5.6
57.07067	6.8
61.02935	8.5
67.05498	5.1
67.08958	1.5
68.99770	1.7
69.03426	33.8
69.07065	5.8
71.05000	3.4
73.02917	3.1
76.34258	1.5
77.03926	1.4
79.05490	38.5
81.03416	20.7
81.07049	7.1
83.04978	8.9
83.08602	1.7
85.02901	86.2
87.00829	37.4
87.04471	2.2
91.05463	7.1
93.07042	39.5
93.07606	2.9
95.04967	5.2
95.08588	6.1
97.02892	24.9
97.06542	7.4
97.10167	2.4
99.04458	10.7
105.01866	45.7
105.03349	1.8
105.07011	3.2
107.04966	6.9
107.08585	15.6
108.04472	19.0
109.02878	26.0
109.06522	4.3
117.01817	2.4
119.08569	1.9
121.02892	2.7
121.06503	3.8
121.10144	2.6
123.08066	1.9
125.05978	16.0
126.05502	8.3
127.01730	1.6
127.03907	55.5
129.01820	3.7
131.08583	3.6
133.10124	12.1
135.11687	100.0
137.05936	1.8
139.07520	12.1
145.04959	19.8
147.02890	2.8
147.11711	1.5
149.13264	7.8
153.03125	2.3
153.09082	1.8
153.12755	2.5
159.02898	9.1
159.03993	1.5
159.11685	4.3
177.12738	21.3
195.13794	86.6
196.14145	2.1
207.03458	1.5
213.03946	3.7
213.14929	8.2
230.08130	8.7
231.04930	19.2
247.06116	2.9
248.07663	2.0
249.06067	5.1
257.04346	1.9
258.04837	1.9
260.10193	1.6
265.07098	1.9
285.03940	2.8
286.04291	2.0
303.04916	4.3
386.23889	2.4
477.31375	2.1
479.18484	4.5
479.29929	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	478.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74686	1.1
55.05510	3.4
62.06084	2.8
65.03944	3.5
66.56741	1.0
67.05501	30.8
69.03438	3.4
69.07066	3.6
69.21796	6.6
70.06602	1.8
71.04987	12.1
79.05504	6.0
80.46777	1.2
81.07050	23.1
81.07499	1.5
83.04992	4.0
83.08604	1.4
86.29288	0.9
88.07652	2.1
91.05476	6.0
93.07043	10.7
95.04965	11.7
95.08617	4.5
97.02881	18.9
97.06509	2.5
97.77701	0.9
98.49898	0.9
98.98471	1.4
102.09200	2.0
105.07011	6.6
107.08630	4.1
109.06521	3.6
111.04453	6.3
111.08102	2.9
112.27161	1.2
113.05992	5.9
117.07021	2.2
119.08577	24.0
121.06499	1.4
121.10173	1.9
123.04458	1.9
124.93769	1.3
129.06982	2.1
131.08545	6.8
133.06555	1.2
133.10132	6.9
137.05963	2.2
139.07538	1.5
141.05453	22.6
141.07074	1.7
142.07770	2.9
143.08588	6.3
145.10144	8.2
147.11697	2.1
149.02370	4.8
149.09644	2.4
151.07565	1.0
155.07072	19.6
155.08557	3.6
156.09389	4.6
157.10127	11.7
158.11049	2.5
159.04602	1.1
159.08168	1.3
159.11667	10.6
161.09619	1.8
167.08553	2.0
168.09447	1.3
169.10097	9.6
170.10901	5.0
171.08087	1.6
171.11676	21.5
173.09642	2.6
173.13254	20.3
179.08542	2.4
180.09340	1.0
181.10172	2.8
182.10936	3.7
183.11720	9.5
184.12497	3.6
185.09622	2.6
185.13261	10.2
186.10278	1.2
187.11214	3.4
192.09393	1.8
193.05025	4.9
193.10178	4.3
194.10973	3.5
195.11642	5.5
196.12474	1.5
197.13248	20.1
198.13756	1.1
201.12733	5.6
203.14285	1.7
205.10179	3.1
206.10864	2.6
207.11668	5.3
208.12456	2.0
209.13260	11.2
210.13821	1.4
211.11246	1.9
211.14763	7.4
215.14279	2.5
219.11714	2.9
220.12445	21.7
221.13235	6.5
223.14935	2.9
224.11981	1.2
225.16374	6.6
233.13380	1.2
234.14189	2.4
235.14798	35.4
235.17067	2.0
236.15294	2.3
249.16393	7.6
251.14421	1.8
253.15889	6.9
255.13904	7.0
259.14850	1.3
267.17566	3.2
269.15460	3.2
271.17004	2.4
277.15964	4.7
280.14719	1.9
285.13965	2.2
295.16901	16.3
306.27881	13.0
312.32611	2.4
313.17944	100.0
314.18359	4.8
329.20035	1.7
331.19025	1.3
337.27289	9.5
390.19583	1.9
405.21878	2.1
434.25925	13.1
449.28790	1.8
465.10043	1.2
469.24637	1.0
478.32410	52.1
479.32504	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	478.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19840	0.5
51.22632	0.6
55.05487	1.4
65.03915	0.8
67.05489	2.3
69.03429	0.7
69.07054	1.5
69.14644	2.5
69.15072	1.4
71.04990	1.1
79.05500	2.6
81.03388	1.2
81.07043	3.6
85.06504	0.9
88.98511	0.5
91.05473	3.4
93.07050	3.2
95.04960	4.0
95.08604	5.0
97.02864	1.1
98.23557	1.1
105.07019	7.8
107.04952	0.7
107.08563	3.4
109.06483	2.5
117.07005	2.2
119.08575	13.6
121.06498	1.5
121.10145	3.0
128.06194	0.9
129.06995	1.2
131.08554	2.5
133.06447	2.6
133.10124	4.0
135.08034	2.3
137.05968	0.9
137.09627	0.6
141.06995	0.8
142.07790	1.6
143.08537	4.5
145.06490	0.6
145.10153	4.2
146.06740	0.7
147.08054	1.1
147.11678	11.6
149.09642	0.7
153.05424	1.1
154.07730	0.7
155.08525	4.7
156.09325	2.3
157.10118	5.6
159.08000	1.2
159.11713	3.0
161.09610	1.7
161.13318	0.8
163.07629	0.7
165.05513	1.2
165.06874	1.0
167.08527	1.4
168.09348	1.5
169.10121	8.2
170.10884	1.5
171.08148	0.7
171.11682	5.1
172.12537	0.8
173.09558	1.0
173.13287	1.3
174.14136	0.8
174.24727	0.6
175.11166	2.2
176.94087	0.6
179.07063	1.1
179.08554	1.4
180.09290	1.0
181.10136	2.8
182.10832	1.8
183.08078	1.1
183.11688	6.2
184.12469	1.3
185.09583	1.2
185.13240	2.0
187.14711	0.5
189.09082	1.1
189.12698	1.4
191.07045	1.2
192.09334	0.8
193.05144	0.6
193.08566	0.9
193.10138	2.2
194.10806	0.8
195.11642	3.4
196.12474	2.9
197.09673	1.3
197.13225	3.2
199.11240	0.7
199.14798	2.9
201.09052	1.5
203.10600	1.2
204.83174	0.6
207.11667	3.0
208.12503	0.9
209.13216	4.6
210.14037	1.5
211.11226	1.5
211.14778	7.3
213.12711	0.8
213.16342	1.1
214.13559	0.6
215.10603	1.5
215.14233	0.7
220.12469	2.0
221.13162	1.4
223.11090	1.1
223.14839	0.8
225.12807	1.0
225.16359	8.3
229.12193	0.8
231.10130	0.7
234.13844	0.9
235.14751	4.0
237.16341	2.2
239.10510	0.6
241.12224	0.9
243.10271	0.6
243.17516	0.6
249.16400	3.0
253.12134	0.9
253.15843	7.9
255.13727	1.8
267.14209	0.8
267.17453	3.4
269.15469	1.0
269.18707	0.6
270.16199	0.6
271.14008	0.5
271.16895	10.6
272.17493	0.8
277.15787	0.7
285.14664	0.6
285.18362	2.2
292.07797	0.5
295.16904	6.2
313.17950	100.0
314.18216	4.9
315.19458	1.5
447.72040	0.6
469.19641	0.6
478.27481	5.4
479.28357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.15107	0.4
53.03925	0.8
55.01859	0.5
55.05508	12.6
57.03178	0.6
57.03436	6.7
57.07068	2.1
59.72248	0.3
62.06082	0.6
62.88892	0.3
65.03591	0.3
65.03936	0.8
67.05501	25.5
69.07064	14.3
69.07447	0.6
69.87695	0.8
70.07381	0.4
71.05000	0.7
71.08630	0.8
79.05483	7.5
81.07050	24.1
82.07370	0.5
83.04976	1.0
83.08615	7.6
85.06538	0.6
85.10188	0.4
91.05474	4.3
93.07034	6.2
95.04959	1.2
95.08595	19.1
97.06535	1.8
97.10156	3.4
98.06036	0.6
98.98453	0.5
105.07022	2.9
107.08579	3.3
109.06505	0.4
109.10155	6.2
109.73554	0.3
111.08081	0.9
111.11678	0.6
119.08546	2.6
121.10142	2.8
123.08096	0.4
123.11685	2.4
133.10123	2.9
135.11664	1.9
137.13284	0.8
147.11682	1.4
149.13246	0.7
151.14793	0.4
161.13222	1.0
163.14825	1.1
175.14873	0.7
177.16415	0.4
216.06235	0.8
245.22569	0.3
256.94464	0.3
263.23737	1.2
306.27921	2.5
337.27328	100.0
338.27655	5.2
436.81400	0.3
479.29626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.96765	1.0
54.01471	1.0
54.27312	1.6
55.01851	1.4
55.05287	1.6
55.05511	13.3
57.03424	3.3
57.07078	1.6
62.05775	1.8
62.06088	35.2
65.03939	1.1
66.81101	1.2
67.05165	1.9
67.05502	35.4
69.07067	14.7
69.17530	6.0
79.05488	9.5
80.81973	1.1
81.07055	32.4
83.04977	2.2
83.08613	6.2
85.10188	1.1
91.05471	5.3
93.07039	13.2
95.05000	1.4
95.08593	27.0
97.06526	2.2
97.10155	3.3
98.06067	1.8
98.98460	10.7
105.07030	3.9
107.08598	7.0
109.10143	8.0
119.08572	4.1
120.49942	1.0
121.10129	4.5
123.11704	3.7
124.01591	2.6
133.10135	4.5
135.11681	1.9
137.09573	1.2
137.13232	2.4
142.02687	1.5
147.11673	1.9
149.13240	2.3
155.01019	6.2
161.13239	1.5
173.02122	1.4
198.05304	1.8
216.06364	3.2
245.22646	2.7
255.68645	1.2
263.23706	8.5
266.86853	1.2
306.27872	23.9
337.27344	100.0
338.27676	4.3
458.27954	1.4
460.28149	3.2
478.19778	2.4
478.29050	2.1
479.32593	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0821
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.21595	0.2
59.55295	0.2
66.41926	0.2
68.99777	0.2
69.48178	0.2
69.48573	0.5
73.02908	0.2
76.20892	0.2
79.05505	0.2
85.02892	0.7
91.89795	0.2
95.01322	0.5
95.62580	0.2
107.04956	3.4
113.02358	0.4
123.00793	1.8
135.04382	1.9
137.02339	0.8
151.00273	1.1
169.01320	25.5
170.01688	0.5
257.04471	0.5
275.05624	0.2
285.03989	0.7
303.04968	100.0
304.05292	4.1
343.69891	0.2
353.94275	0.2
354.22076	0.2
479.08121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0819
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
51.52265	0.2
51.83133	0.2
52.34869	0.2
60.88093	0.2
69.96939	0.6
76.21638	0.2
79.05474	0.4
85.02909	0.3
95.04965	0.3
107.04957	6.2
113.02383	0.3
123.00795	0.5
135.04413	2.6
137.02357	0.6
169.01317	34.1
170.01688	0.6
181.49287	0.2
285.04022	0.4
302.04251	0.5
303.04974	100.0
304.05273	4.7
304.96332	0.3
317.06534	0.7
422.27121	0.3
479.08173	11.4
480.08569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.1
56.07758	0.1
58.24482	0.1
59.05005	0.8
68.56625	0.1
68.99799	0.2
69.03425	0.2
70.06585	0.5
71.01353	0.1
71.13535	0.1
72.08141	0.5
73.02919	0.3
79.05468	0.1
81.03412	0.4
84.08125	0.2
84.24377	0.1
85.02917	0.5
86.09689	0.3
89.03927	0.3
91.05457	0.2
95.01334	0.6
97.02878	0.2
100.43388	0.1
103.07572	0.6
105.07082	0.1
107.04956	0.2
109.02869	0.3
110.07174	0.3
112.99969	0.4
113.02349	0.2
117.03353	0.3
120.08078	0.7
123.00780	4.3
127.03912	0.3
135.04402	3.5
135.05182	0.1
135.05452	0.1
137.02332	1.1
139.01530	0.7
141.01811	0.5
147.04372	0.2
151.00247	0.3
155.41759	0.1
161.02261	0.2
161.66658	0.1
166.07220	0.4
167.07460	0.1
169.01308	2.7
173.05957	0.2
183.04239	0.3
187.05930	0.2
189.01785	0.7
201.05496	0.3
207.02850	0.2
211.03981	0.2
229.04999	0.6
235.02336	0.7
239.03380	0.2
257.04407	1.7
261.03860	0.3
275.05453	5.4
276.05853	0.1
281.11166	0.2
285.03885	2.3
303.04941	100.0
304.05286	3.4
328.94998	0.1
435.16101	0.5
479.07983	1.1
479.15344	1.2
480.08423	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	479.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27534	0.2
59.59548	0.2
60.48743	0.2
67.26977	0.2
68.99787	0.7
69.03431	0.2
70.06588	0.5
71.01359	0.2
73.02928	0.2
79.05496	0.3
81.03384	0.2
85.02890	1.2
86.91113	0.2
95.01341	0.7
97.02867	0.3
98.22632	0.5
105.06939	0.2
107.04947	2.6
113.02351	0.4
119.04942	0.4
119.65806	0.2
123.00768	2.0
131.04950	0.5
135.04402	1.7
137.02325	0.8
139.00270	0.5
141.01807	0.5
141.06531	0.2
141.10152	0.2
147.04379	0.6
151.00221	1.0
151.03905	0.3
161.02333	0.2
168.00597	0.2
169.01306	21.5
170.01805	0.2
183.02933	0.5
185.00711	0.2
191.06993	0.5
199.79063	0.2
203.69179	0.2
257.04422	2.5
261.04034	0.3
278.51624	0.2
285.03934	2.5
302.04211	0.5
303.04950	100.0
304.05267	3.5
315.89734	0.2
317.06522	4.7
359.07614	0.6
479.07971	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	479.0822
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
65.67352	0.1
67.86029	0.1
68.99768	0.3
69.00101	0.1
69.47957	0.3
71.01335	0.1
72.08115	0.1
79.05470	0.1
85.02869	0.2
86.09653	0.2
89.03883	0.2
89.05963	0.1
95.01288	0.2
95.69820	0.1
107.04914	0.2
113.02312	0.2
117.03342	0.3
120.08058	0.1
121.02899	0.1
123.00788	1.0
124.03890	0.1
135.04404	2.1
136.04726	0.1
137.02327	1.1
137.03340	0.2
139.00244	0.1
141.01721	0.1
151.00230	0.2
155.04797	0.1
161.02309	0.3
168.00629	0.1
168.99876	0.2
169.01315	3.5
187.02367	0.1
200.12817	0.1
205.04918	0.1
211.03827	0.1
229.04958	0.3
233.04652	0.1
239.03445	0.1
247.06018	0.2
257.04437	0.7
261.03955	0.3
285.03949	0.6
286.04559	0.2
288.05249	0.1
301.06915	0.1
302.04172	0.7
303.04956	100.0
304.05298	3.5
317.06494	0.3
389.46896	0.1
479.08182	9.9
480.08374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	Dihydrokaempferide 3-glucuronide
Peak:m/z	Relative Intensity
55.01862	0.5
56.02645	0.4
61.98929	0.2
62.75270	0.2
65.03926	0.2
66.01080	0.3
68.99786	0.8
71.01343	0.4
73.02904	0.4
84.02117	0.8
85.02901	1.5
91.05483	1.7
95.01340	0.4
95.04953	0.5
97.02932	0.2
97.46238	0.2
99.00816	0.8
107.04945	1.3
112.01578	3.1
113.02357	0.3
119.04935	5.1
121.02843	0.4
121.06488	0.5
123.04425	0.7
127.00243	1.1
137.02347	0.6
140.01033	3.6
141.01701	0.2
147.04395	13.8
148.04749	0.2
149.02336	0.2
154.99736	0.4
155.03333	0.3
159.02913	0.2
163.03891	0.6
165.01656	0.2
168.00531	35.3
169.01077	0.8
177.23058	0.2
181.05025	0.2
183.02875	100.0
184.03201	1.9
186.01587	18.2
189.05479	0.3
195.02878	1.1
197.35397	0.2
198.01608	0.3
201.03908	2.4
201.05612	0.3
213.03966	0.7
225.03976	0.8
249.03889	1.0
257.04416	0.3
260.62659	0.2
261.03845	1.2
261.07639	0.5
270.05502	0.2
279.04987	0.4
285.03995	0.2
287.05408	0.2
288.06192	0.6
302.04214	0.7
303.08594	92.2
304.08926	3.7
315.08478	0.9
317.06528	1.5
341.04868	0.6
368.08823	0.3
369.09622	0.5
381.09586	0.5
381.39590	0.2
443.09540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03434	0.9
63.42934	0.5
68.99779	0.7
69.03407	1.0
69.77631	1.3
71.01324	1.2
73.02897	1.6
84.02097	1.0
85.02898	6.7
89.66079	0.4
91.05465	1.2
92.52772	0.4
95.01332	0.7
95.04939	1.0
98.22780	0.6
99.00816	1.2
107.04939	0.7
112.01589	2.2
113.02358	3.7
119.04931	4.7
123.00775	0.6
123.04427	0.9
127.00244	0.8
131.03394	1.0
136.51352	0.5
137.02292	0.5
140.01051	3.1
141.01750	0.7
144.53760	0.5
147.03300	0.9
147.04398	12.1
148.04872	0.5
153.01863	1.1
159.02885	1.1
168.00529	34.0
169.01146	0.9
183.02875	100.0
184.03221	2.2
186.01585	15.4
189.05501	0.5
195.02931	0.9
201.03934	3.5
249.04134	0.6
261.07532	0.5
277.85049	0.5
286.04648	1.0
287.05051	0.8
288.05206	1.3
301.06802	1.0
302.04196	3.8
302.07242	0.9
303.04990	7.0
303.08563	91.4
304.08850	3.4
317.06525	6.7
323.03867	0.5
341.04910	0.8
479.08224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	Dihydrokaempferide 3-glucuronide
Peak:m/z	Relative Intensity
50.87105	0.4
55.33592	0.4
67.04163	0.3
68.99779	0.5
69.88358	1.1
69.88683	0.4
71.01328	0.7
72.57458	0.4
73.02902	1.1
85.02903	3.2
91.05473	0.9
91.60457	0.4
99.00812	0.7
103.05464	0.7
107.04954	0.6
109.02869	0.6
112.01564	1.2
113.02368	1.3
119.04900	0.5
121.02851	2.2
127.00327	0.9
137.02347	0.7
139.00334	0.5
140.01042	1.9
141.01746	0.6
147.04410	0.6
153.01839	1.8
168.00546	20.1
169.01331	4.0
181.01396	0.5
183.02887	100.0
184.03152	2.3
184.27606	0.5
186.01602	9.0
197.04503	0.7
199.02441	0.6
225.03929	0.4
239.03513	0.9
245.43588	0.5
249.03957	0.5
257.04440	1.2
261.07611	0.8
269.04532	0.5
270.05203	1.3
271.05994	0.8
285.04105	1.0
285.07544	2.6
287.04965	0.7
288.05408	0.5
293.03491	0.4
299.05481	2.7
300.05951	0.9
301.06815	1.9
302.07053	1.8
303.04962	15.1
303.08575	42.2
304.05383	0.6
304.08795	1.0
315.08572	3.1
316.08975	2.8
317.06018	5.3
317.09836	3.7
318.06635	0.5
341.04868	0.6
435.19781	0.6
479.12164	0.6
479.19080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
66.01098	0.4
68.99796	0.7
69.03410	0.6
70.70145	0.6
71.01354	0.6
73.02898	0.6
81.03388	0.5
84.02130	0.4
85.02905	2.1
91.05486	1.0
95.01315	0.6
97.02865	0.5
98.22810	0.4
99.00780	0.6
103.05479	0.8
107.04940	1.1
109.02875	0.3
112.01572	1.3
113.02367	1.0
119.04877	0.3
121.02849	2.3
123.00784	0.3
127.00298	0.6
127.03941	0.3
131.03474	0.4
137.02293	0.8
139.00290	0.4
140.01028	1.4
147.04353	0.6
152.01122	0.3
153.01820	1.5
159.02853	0.3
166.99728	0.6
168.00529	18.9
169.01279	4.0
170.79562	0.3
183.02881	100.0
184.03197	1.9
186.01582	9.9
197.04457	0.7
199.02299	0.4
209.04456	0.4
221.04362	0.4
231.10194	0.4
239.03271	0.4
247.93170	0.3
249.03989	0.4
255.06073	0.5
257.04382	0.7
261.07526	1.6
270.05246	1.3
271.05988	1.5
272.06174	0.4
273.06390	0.5
282.05353	0.4
284.05853	0.5
285.03922	0.8
285.07532	2.8
286.04648	0.4
287.04831	0.5
288.05237	0.7
299.05411	3.0
300.06046	0.9
301.06693	1.8
302.07025	1.2
303.04941	12.6
303.08566	42.7
304.08804	1.5
315.08603	4.0
316.08951	2.9
317.06439	6.6
317.09317	5.2
359.37146	0.3
424.64035	0.3
479.11957	0.7
479.19119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61189	1.5
53.00307	3.6
57.57161	1.7
59.04972	2.0
62.56239	1.6
68.99755	9.0
69.03436	3.1
70.06588	2.7
70.37000	3.6
70.37370	3.8
70.44425	1.6
71.01334	5.0
74.46272	1.5
79.05479	23.5
84.08141	2.4
85.02903	3.2
87.48017	1.6
91.05464	3.3
95.01331	4.2
95.04955	3.1
99.00803	1.9
103.05462	22.3
103.61237	2.1
105.03376	4.0
105.04549	2.1
105.07030	15.0
107.04256	3.0
107.04946	51.0
109.02905	1.7
111.92583	1.7
113.02363	12.4
123.00780	10.2
129.06978	2.3
131.04913	87.2
132.05244	3.6
137.02301	3.1
139.00266	6.9
141.06970	1.9
143.08476	1.9
149.05989	2.5
153.01799	2.3
155.04839	2.2
157.01274	11.0
157.06497	2.0
163.00275	17.8
165.01843	12.8
166.99747	22.8
169.01308	26.3
169.06421	2.0
171.04344	2.3
173.05920	10.1
181.01285	11.5
183.02873	7.9
183.04440	7.0
185.00793	17.0
186.01482	3.0
187.07646	1.7
190.99763	27.4
191.16011	1.8
197.05978	3.3
199.02322	3.9
209.00806	42.4
211.07574	2.8
225.05441	4.7
227.01865	29.9
227.06999	3.4
239.07094	9.9
245.02876	2.6
253.04929	4.9
257.04398	2.6
267.06458	8.3
269.04382	1.9
271.06015	12.2
284.06085	2.2
285.07471	3.9
295.06042	14.4
299.05588	3.2
300.06064	2.7
301.06412	3.0
302.06931	3.3
303.04953	100.0
304.05130	4.7
313.07031	55.6
315.08566	13.2
316.09036	11.7
317.09204	24.8
331.08072	81.2
332.08365	2.5
359.07617	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	479.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09002	0.7
55.92340	0.6
56.02631	0.6
58.78604	0.6
63.02365	0.6
68.99778	0.8
69.03439	1.0
69.82986	2.2
79.05476	1.6
81.03416	2.3
84.02102	0.7
85.02905	1.9
89.03910	8.7
91.05480	2.6
95.04935	0.7
97.02876	1.1
98.22778	1.2
107.04947	2.7
112.01575	1.6
113.02312	0.8
117.03379	10.7
119.04947	3.5
121.02865	1.1
123.04404	0.8
127.00275	1.0
129.07014	0.7
131.25954	0.7
135.04416	20.5
137.05983	1.7
139.00258	2.1
140.01042	1.6
145.02831	13.1
147.04395	9.1
147.05457	1.0
149.05998	0.9
151.07501	1.0
161.05917	1.1
163.03899	100.0
164.04227	1.4
165.05455	3.5
167.07082	0.7
168.00542	23.4
169.01448	1.3
179.06993	2.1
181.05051	1.5
183.02884	64.6
186.01591	10.9
195.02916	0.8
201.03940	1.2
203.07019	2.1
217.08549	0.8
221.08202	0.9
225.03880	0.9
245.08089	1.9
249.03804	0.9
257.04453	2.9
261.03793	0.8
263.09158	1.5
284.60422	0.7
285.03912	4.1
302.04181	4.9
303.04965	8.9
303.08542	61.2
304.08978	2.9
307.08109	2.2
315.08585	0.9
317.03015	1.3
317.06546	20.0
318.07111	1.0
325.09225	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01855	0.4
63.02376	0.5
66.36970	0.3
68.99781	0.4
69.03417	1.6
69.53032	1.1
78.68428	0.3
79.05500	1.6
80.80219	0.4
80.98780	0.3
81.03406	1.7
85.02896	1.7
86.09689	0.5
87.04490	0.3
89.03908	6.5
89.06013	1.3
91.05476	0.9
95.04967	0.6
97.02902	3.7
105.07072	0.4
107.04945	2.2
107.19096	0.3
109.02859	0.4
117.03372	9.1
119.04936	1.3
121.02851	1.1
121.06472	0.3
123.04427	0.5
126.01105	0.5
129.06943	0.5
131.04906	0.3
135.04411	15.0
136.04767	0.3
137.05971	1.5
139.00285	1.2
139.01469	0.3
143.08536	0.4
145.02849	11.4
145.06516	0.4
147.04433	0.6
149.05972	0.8
151.07574	1.1
153.03091	0.3
157.06467	0.4
161.05956	1.1
163.03894	100.0
164.04237	1.6
165.05490	2.7
171.07948	0.4
175.07535	0.9
177.05493	0.4
179.05614	0.3
179.06972	1.9
181.04919	1.1
185.05930	0.4
191.06993	0.7
195.06612	0.3
197.05858	0.4
202.10776	0.3
202.78545	0.4
203.07108	1.8
217.08574	0.6
221.08072	0.9
233.07986	0.7
233.89798	0.3
245.08067	1.9
257.04407	3.0
263.09128	1.3
265.06897	0.5
281.09973	0.4
285.03870	3.6
303.04974	4.1
307.08142	0.6
325.09222	5.1
479.18719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05505	0.8
65.03934	2.5
67.05488	1.2
69.03419	2.2
69.31864	3.9
70.06593	1.6
72.08154	1.7
81.03407	3.0
83.04972	1.0
83.20773	0.6
84.04520	0.8
84.08131	0.7
85.02895	2.3
86.09721	1.0
93.03387	1.3
95.04972	1.5
97.02860	1.1
108.02101	1.7
109.02864	1.8
111.04433	3.5
120.38232	0.7
121.02911	1.4
125.05988	2.5
127.03880	1.1
129.10210	0.8
130.05040	1.0
131.07042	0.7
141.05440	1.3
147.07616	1.0
151.03899	100.0
151.04968	6.3
152.04222	1.4
156.07634	0.7
161.40414	0.7
166.38516	0.6
169.04982	8.0
175.03925	0.7
180.36162	0.6
225.66565	0.6
229.04993	0.7
235.02376	0.7
257.04556	0.8
275.05499	5.8
295.08133	2.2
303.05069	1.5
313.09067	6.5
399.19708	0.9
447.32227	0.8
479.16846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05505	0.8
65.03934	2.5
67.05488	1.2
69.03419	2.2
69.31864	3.9
70.06593	1.6
72.08154	1.7
81.03407	3.0
83.04972	1.0
83.20773	0.6
84.04520	0.8
84.08131	0.7
85.02895	2.3
86.09721	1.0
93.03387	1.3
95.04972	1.5
97.02860	1.1
108.02101	1.7
109.02864	1.8
111.04433	3.5
120.38232	0.7
121.02911	1.4
125.05988	2.5
127.03880	1.1
129.10210	0.8
130.05040	1.0
131.07042	0.7
141.05440	1.3
147.07616	1.0
151.03899	100.0
151.04968	6.3
152.04222	1.4
156.07634	0.7
161.40414	0.7
166.38516	0.6
169.04982	8.0
175.03925	0.7
180.36162	0.6
225.66565	0.6
229.04993	0.7
235.02376	0.7
257.04556	0.8
275.05499	5.8
295.08133	2.2
303.05069	1.5
313.09067	6.5
399.19708	0.9
447.32227	0.8
479.16846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
53.80363	0.3
55.01866	0.5
55.05494	1.2
56.05040	0.5
57.03412	0.7
58.99573	1.5
60.00588	0.3
66.68670	0.4
67.05498	2.0
68.99778	0.7
69.03408	1.0
69.07055	0.7
70.06583	0.7
70.36803	0.3
70.53152	0.4
71.01335	0.8
71.04987	0.4
73.02908	1.7
74.00647	0.4
76.02216	3.0
79.05489	2.3
81.03404	7.5
81.07051	2.4
83.04972	1.7
83.06083	0.7
83.08604	1.5
84.04493	13.3
84.08104	0.6
85.02891	3.6
86.09701	0.7
86.99030	1.1
91.05489	2.6
93.07051	1.5
95.01331	0.9
95.04963	1.8
95.08596	1.2
97.02876	1.3
97.06503	0.3
97.10184	0.4
101.02330	0.4
102.05535	0.8
105.00072	1.9
105.07020	1.6
107.04938	0.7
107.08575	0.8
109.02853	0.6
109.06525	0.6
110.06066	0.5
111.08086	0.9
113.02336	1.3
117.07033	0.4
119.04926	1.0
119.08560	1.4
120.08077	0.6
121.02853	1.2
121.10078	0.6
122.02715	17.4
123.00771	3.4
127.03905	0.8
129.07016	0.8
130.04984	8.1
131.03401	0.8
131.08556	0.7
133.10106	0.9
135.04401	3.2
137.02315	1.5
137.05992	2.1
137.09621	0.5
138.05423	0.3
139.00227	0.5
141.01808	0.9
142.03246	2.2
142.07805	0.4
143.47250	0.3
145.04967	0.3
147.04393	0.9
147.11633	1.0
149.09636	0.6
153.06627	0.4
157.10107	1.1
159.02850	0.4
161.02306	0.3
169.01282	2.8
174.20534	0.3
175.11145	1.4
179.10674	1.0
187.05968	0.4
188.03705	2.6
193.12218	4.1
197.11676	1.2
201.05376	0.3
211.04063	0.5
211.13266	8.1
212.13591	0.3
229.04958	1.3
233.05939	0.5
234.04292	3.0
249.05409	1.2
251.06937	29.2
252.07301	0.5
257.04440	3.8
275.05374	1.0
285.03882	4.0
302.04150	9.2
303.04947	100.0
304.05252	6.2
309.90854	0.3
317.06516	12.5
318.06903	0.5
461.19434	0.4
479.07999	3.2
479.20395	0.6
480.08514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69145	2.7
55.05517	16.6
56.98232	2.5
65.03918	3.5
67.05511	19.1
69.03421	30.5
69.07069	7.3
71.05004	3.6
79.05490	20.6
81.03399	23.1
81.07058	24.0
83.04987	21.8
83.08620	5.6
91.05471	21.7
93.07051	21.3
95.04983	14.2
95.08601	23.0
97.06550	8.2
105.07051	22.2
107.04987	4.5
107.08591	17.0
109.06522	5.7
109.10159	9.4
111.04435	41.3
117.07021	11.8
119.04976	4.5
119.08573	32.2
121.02872	36.7
121.06504	5.4
121.10134	13.2
123.07990	4.6
128.06213	4.6
129.06995	8.1
131.08560	29.8
133.10120	16.0
135.08076	4.0
139.00206	3.0
141.06989	5.9
142.07817	6.0
143.08572	11.4
145.06514	4.4
145.10097	41.7
147.08081	5.1
147.11714	8.0
149.09673	4.9
155.08530	6.6
156.09305	3.3
157.10143	18.6
159.08020	3.8
159.11674	26.9
161.13245	15.5
163.11195	7.2
165.07022	4.5
167.08571	7.2
169.10107	14.9
170.10880	3.7
171.11714	12.4
172.12485	4.0
173.09581	4.6
173.13268	7.8
175.14859	5.7
177.16432	5.2
181.10168	10.2
182.10913	4.0
183.11720	10.1
185.13193	13.7
187.11095	3.8
187.14821	69.0
189.16566	4.5
193.01299	5.4
193.10176	3.3
195.11722	9.3
197.13301	15.4
199.11349	3.9
199.14980	3.1
201.12614	3.7
203.14336	7.1
205.15875	34.6
209.13210	8.6
211.11205	3.2
211.14915	6.8
215.14339	10.2
220.03552	3.5
223.14853	3.6
233.15630	3.2
235.14917	7.0
238.04852	5.3
251.18092	6.0
253.15866	4.6
257.04504	10.6
269.19034	8.7
279.17490	13.4
283.06055	10.4
285.03958	24.5
286.04749	8.1
287.05447	9.3
293.04486	7.1
297.18457	23.3
299.05502	6.3
303.04987	5.4
310.04718	35.8
311.05496	33.7
313.07086	4.0
315.19595	14.6
323.05493	3.9
324.06552	2.9
325.07095	4.9
337.07080	6.1
338.07840	54.4
339.08267	6.9
351.02664	2.9
353.06512	24.6
381.09573	37.6
382.10471	100.0
383.11105	28.9
479.16812	32.6
479.26392	11.5
480.16983	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	479.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
54.99675	0.7
55.01863	3.5
55.05506	7.8
57.03428	6.4
57.07069	0.9
57.25777	0.7
59.04998	0.9
61.02927	12.4
65.03919	0.8
67.05502	13.3
68.05510	0.8
69.03424	33.2
69.07067	5.2
69.39920	4.0
71.01347	1.2
71.04993	4.4
73.02919	7.4
77.03932	1.5
79.05476	5.6
81.03413	12.9
81.07050	8.2
83.01321	1.0
83.04974	4.6
83.08600	2.8
85.02897	59.2
87.04462	8.3
91.03960	3.4
91.05464	8.7
93.07034	6.8
95.04967	2.6
95.08597	31.2
97.02886	25.0
97.06509	1.0
99.04467	5.1
101.02351	1.4
103.03915	1.4
105.04504	1.0
105.07021	13.6
107.04920	1.0
107.08576	9.7
109.02859	7.8
109.10149	20.7
111.04431	4.9
115.05398	1.1
117.07002	3.6
119.08569	23.7
121.02887	2.9
121.06527	1.1
121.10129	4.7
123.11691	1.2
127.03904	13.8
128.06198	1.7
129.05469	6.1
129.06992	3.5
130.07718	0.8
131.08554	11.6
133.10109	18.5
135.11687	2.7
137.05948	1.2
139.07497	1.1
141.06963	3.1
142.07753	3.6
143.08563	6.7
144.09332	2.7
145.04941	10.9
145.10104	17.8
146.10930	0.9
147.11668	12.1
151.07516	1.2
153.09073	0.9
155.08586	4.6
156.09354	4.9
157.10101	11.0
158.10828	1.5
159.08052	1.3
159.11682	17.9
160.12482	2.1
160.49048	0.8
161.09694	1.5
161.13211	8.4
168.09369	1.4
169.10133	5.0
170.10904	2.1
171.10312	1.4
171.11668	10.0
172.12383	1.9
173.13239	14.6
175.11198	1.1
175.14809	2.9
177.09108	1.5
179.07043	0.9
182.10817	1.8
183.11699	9.1
184.12431	1.5
185.09622	1.6
185.13260	4.8
186.14014	1.7
187.11172	1.4
187.14787	14.1
188.15584	1.9
189.16331	6.6
191.10649	1.1
195.11729	1.6
196.12433	0.8
197.09673	1.2
197.13234	6.7
199.11211	2.5
199.14786	4.7
201.09210	1.0
201.16360	25.6
202.17099	3.2
203.10687	2.0
205.12267	1.1
205.44539	0.8
209.13266	1.5
211.11188	1.5
211.14760	4.2
213.12852	1.0
213.16414	1.5
215.10724	2.5
217.12245	3.1
223.15063	1.0
225.12724	1.6
225.16368	1.6
229.12231	5.7
231.13921	1.4
235.13307	2.2
239.14392	1.4
239.17958	2.6
243.13821	5.4
247.13298	1.6
253.19550	5.6
255.21140	0.9
257.15390	1.7
261.14828	1.2
271.20486	5.1
281.19040	3.5
289.05176	1.7
299.20004	24.2
300.20309	1.6
303.05042	3.0
315.19373	1.0
317.21063	100.0
318.21506	4.1
423.35950	0.8
461.25604	1.2
479.19006	3.4
479.26321	80.0
480.19931	0.8
480.26630	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	479.2642
Annotation	Pharboside G
Peak:m/z	Relative Intensity
51.25506	1.2
53.03948	3.8
55.01868	2.7
55.05512	6.1
57.03432	8.4
57.07103	1.4
59.04992	2.5
59.53289	1.3
61.02928	12.3
61.30518	1.5
65.03952	1.6
67.05501	17.1
67.60841	1.3
69.03425	38.3
69.03802	2.1
69.07077	3.7
69.47131	6.7
71.01365	1.8
71.04986	3.8
73.02915	7.8
79.05505	6.3
81.03413	15.7
81.07055	9.9
83.04986	5.3
83.08621	3.1
85.02898	76.8
85.66684	1.5
87.04470	5.8
91.03966	4.1
91.05470	9.0
93.07047	12.1
95.08601	49.7
97.02888	30.1
99.04436	6.4
101.02407	1.9
105.07019	19.5
107.08585	10.3
109.02876	10.0
109.06507	1.7
109.10148	23.6
111.04446	5.8
117.07002	4.6
119.04970	1.7
119.08573	29.3
121.06522	1.7
121.10121	8.1
123.11700	3.3
127.03909	17.4
129.05484	7.9
129.07019	3.3
130.07822	1.9
131.08563	12.3
133.10127	24.5
135.11690	4.5
137.06085	1.4
141.06934	1.8
142.07779	3.4
143.08528	6.9
144.09355	3.2
145.04944	10.5
145.10115	23.3
147.08080	2.1
147.11665	13.1
155.08528	3.3
156.09352	3.9
157.10100	16.5
158.10866	2.8
159.11682	21.5
161.13280	11.6
163.14868	2.1
168.09360	1.9
169.10107	7.0
170.10855	3.5
171.11693	12.7
172.12404	2.4
173.13271	16.6
175.14931	2.9
181.10185	1.6
182.10858	1.9
183.11684	11.9
185.09602	1.5
185.13211	8.2
186.14023	2.1
187.11198	2.9
187.14807	14.8
188.15527	3.0
189.16412	7.6
195.11711	2.4
196.12613	1.7
197.09692	1.3
197.13213	6.9
199.11234	3.5
199.14833	7.2
201.09122	2.0
201.16374	32.8
202.17107	4.0
203.10730	2.9
205.12106	2.1
211.11209	2.9
211.14848	3.0
213.16455	1.7
215.10716	2.4
217.12294	3.8
225.12759	2.7
225.16365	3.0
229.12286	4.7
233.16745	1.3
235.13229	2.9
239.14281	2.6
239.17937	3.5
243.13809	7.6
247.13422	1.8
253.19472	7.3
271.16638	1.7
271.20615	4.0
281.18991	5.4
299.20016	27.7
303.04932	10.1
317.21078	100.0
318.21469	4.6
339.50983	1.5
365.35712	1.5
393.18835	1.8
435.19592	6.8
479.18881	23.1
479.26343	83.5
480.20038	1.5
480.26712	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	479.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64490	2.4
55.05501	5.9
56.05021	2.5
65.03949	3.1
67.05500	6.7
69.07062	6.8
70.85563	3.0
71.07380	9.5
71.08614	3.5
79.05491	9.0
81.07054	8.1
83.08609	4.5
86.09702	36.0
87.10040	6.6
89.06038	18.8
90.06351	4.9
91.05482	7.7
93.07059	9.7
95.04990	5.2
95.08604	7.1
97.02924	3.2
98.98478	2.8
103.05434	7.4
105.07028	100.0
105.07738	5.7
106.07365	28.2
107.07761	3.5
107.08591	5.4
109.10137	5.3
119.08579	8.8
121.06525	6.6
121.10078	2.8
124.03973	4.4
125.00008	12.3
131.08578	6.5
133.08574	6.3
135.11671	2.9
145.10175	5.0
147.08107	7.1
148.08368	3.5
149.64737	2.8
157.10049	4.2
159.11699	4.9
163.01535	8.0
171.11728	6.1
177.11272	2.9
181.10132	5.9
184.07358	3.9
186.14059	2.9
193.10112	3.0
195.11707	7.8
197.13280	4.5
199.14848	3.7
226.13216	3.5
237.16406	9.5
250.13013	2.7
297.18518	4.4
315.19543	36.3
339.28915	11.2
348.89728	2.7
393.22406	5.9
478.33191	5.1
479.17200	4.5
479.27594	12.6
479.33606	42.8
480.29260	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	480.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
57.03432	9.6
57.48109	1.8
62.98256	2.1
63.48459	1.7
69.03425	13.9
70.06578	2.0
71.04990	56.5
73.02905	5.1
75.04481	7.9
76.97098	1.9
81.03407	2.3
83.04984	9.2
85.02901	100.0
86.08192	1.7
87.04465	2.5
91.05464	4.0
97.02876	8.3
103.03973	2.5
105.07036	1.8
111.04423	4.3
119.04960	3.5
121.06499	3.6
127.03928	5.6
129.05466	40.9
136.94043	12.8
137.05969	29.0
145.04985	4.5
147.06512	21.6
151.07545	5.4
155.07027	2.1
159.05135	2.0
161.06021	3.2
164.09200	3.0
165.05544	3.2
169.01355	12.5
170.65169	1.7
175.07565	2.2
179.07053	8.0
182.39149	2.3
197.08035	2.2
203.07011	2.9
205.86554	1.8
208.36380	1.8
218.94398	4.0
219.08325	7.0
220.89688	1.9
221.08052	4.9
235.05711	15.3
247.09625	13.1
255.08560	3.0
265.10748	3.6
273.09543	2.5
284.97809	6.1
304.05267	2.8
305.06631	5.6
309.11743	2.4
378.94006	1.9
396.08713	1.8
462.85294	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	480.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
53.03932	0.5
55.01864	0.4
55.05509	2.9
57.03431	0.2
57.07060	0.5
63.40962	0.1
65.03938	0.6
67.05500	1.9
69.03427	9.8
69.07057	0.6
70.94984	0.1
71.04987	0.2
78.03445	2.2
79.04243	0.2
79.05486	1.7
79.50538	0.1
80.04547	0.2
80.05015	3.6
81.03415	6.3
81.03898	0.3
81.07054	2.1
83.04977	6.2
83.08615	0.2
85.06508	0.2
91.05482	2.9
92.89943	0.2
93.07043	2.4
95.04961	1.7
95.08601	2.5
96.04488	3.0
103.05473	0.3
105.07021	4.3
106.02913	4.3
107.04964	0.4
107.08591	1.7
108.04520	0.2
109.06517	0.8
109.10146	0.5
111.04438	10.3
113.06016	1.2
115.05446	0.5
116.06240	0.4
117.07016	2.2
119.05997	0.2
119.08567	4.1
121.06502	0.6
121.10117	0.7
123.08089	0.3
124.03947	100.0
125.04302	1.6
128.06201	1.4
129.07002	2.3
130.07764	0.6
131.04951	0.3
131.08565	5.3
132.08803	0.2
133.06534	0.4
133.10153	1.2
135.08086	0.4
140.03413	0.2
141.06964	1.7
142.07784	2.0
143.08563	3.8
144.09302	0.4
145.06482	0.4
145.10118	7.8
147.04308	0.2
147.08084	0.8
147.11670	0.4
149.09595	0.2
152.06203	0.2
153.06989	0.6
154.07751	0.7
155.08536	2.9
156.09320	2.0
157.10120	4.0
158.10878	0.6
159.08041	0.5
159.11687	4.1
161.09644	0.7
161.13307	0.3
165.06993	1.2
166.07773	0.4
167.08546	2.4
168.09355	0.6
169.10107	3.8
169.11455	0.2
170.10899	1.1
170.37531	0.1
171.08095	0.3
171.11671	3.3
172.12383	0.8
173.09634	0.5
173.13245	1.5
175.11244	0.2
178.07800	0.4
179.08548	1.2
180.09306	0.6
181.06584	0.2
181.10112	2.5
182.07396	0.2
182.10931	1.6
183.08049	0.3
183.11676	2.2
185.09634	0.7
185.13237	4.2
187.11249	0.5
187.14807	16.5
188.15202	0.4
190.07645	0.2
191.08553	0.3
192.09309	0.4
193.10155	1.8
194.10876	0.6
195.08049	0.4
195.11685	2.5
196.12445	0.8
197.09630	0.5
197.13251	5.1
198.13879	0.4
199.11147	0.5
199.14832	0.7
199.94246	0.2
203.14326	0.3
204.06668	0.3
204.09181	0.2
205.10153	0.9
206.10916	0.5
207.11678	1.5
208.12468	0.4
209.09666	0.5
209.13232	2.3
210.14003	0.2
211.11078	0.3
211.14807	2.6
213.12781	0.2
213.16412	0.4
215.14337	1.5
216.09312	0.2
216.15176	0.2
217.10144	0.4
217.12228	0.2
219.11639	0.8
220.12509	0.8
221.13216	0.6
222.14006	0.3
223.11159	0.7
223.14793	0.6
225.12808	0.3
225.16394	0.4
227.14273	0.4
229.15933	0.4
231.11668	0.5
232.12473	0.2
233.13272	0.4
234.14040	0.2
235.11214	0.2
235.14824	2.6
236.15541	0.3
237.12656	0.7
237.16376	0.6
238.13353	0.2
246.14095	0.5
249.16377	0.4
251.14343	0.4
251.17950	1.9
252.51117	0.1
253.15916	0.6
261.16357	1.0
267.17593	0.2
269.15594	0.2
269.19019	0.6
279.17432	5.6
280.17697	0.3
297.18488	7.4
298.18875	0.5
308.16345	0.4
310.17957	2.1
315.19345	0.2
315.28012	0.1
316.44153	0.2
402.20578	0.3
420.21719	1.7
438.22800	0.4
480.23843	1.2
498.19366	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	480.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.01865	6.0
55.05505	22.9
57.03429	2.9
58.99581	3.0
65.03934	2.3
67.05158	3.5
67.05495	42.8
68.05025	2.1
69.03419	3.3
69.07069	18.7
70.06577	2.6
70.48354	4.9
70.56598	1.7
71.04971	4.1
71.36316	1.9
71.49477	1.9
78.67352	2.2
79.05489	39.3
80.04998	7.3
81.03400	6.0
81.07052	94.8
82.06570	9.3
83.04951	5.3
83.08606	15.9
84.04501	14.1
85.01111	2.5
86.43548	2.8
91.05462	37.9
93.07035	32.7
95.04964	18.7
95.08591	25.6
96.04497	13.1
97.01107	5.9
97.06516	8.4
97.10129	2.6
98.00681	2.4
98.06039	5.9
99.08054	2.5
105.07024	37.5
107.04933	12.5
107.08591	21.2
108.04462	8.1
109.06506	28.6
109.10155	10.4
110.06037	18.5
111.02655	4.6
111.08069	5.4
112.02188	8.5
113.00594	2.2
114.03754	5.1
117.07025	9.1
119.08575	32.3
121.06511	9.6
121.10143	15.1
123.08094	12.0
123.11694	7.8
125.04209	3.9
125.09641	2.8
128.07047	2.4
129.07001	4.7
131.08507	15.0
133.06490	4.0
133.10130	21.7
135.02594	3.0
135.08040	7.9
135.11696	5.5
136.03886	2.3
137.04219	2.6
137.09621	5.2
137.89546	2.0
139.05772	5.7
140.01659	7.0
142.03204	22.2
143.08527	5.3
145.06502	2.6
145.10110	16.1
147.07961	4.1
147.11658	21.7
149.09584	10.4
149.13196	9.0
151.05716	2.9
151.11156	5.5
153.02408	5.0
154.03192	4.5
154.04964	14.5
155.08502	3.9
156.06577	10.0
157.10121	7.4
159.08052	2.8
159.11668	10.2
161.09613	3.7
161.13248	5.0
163.05728	2.5
163.11150	11.0
163.14818	4.3
165.12720	8.1
168.06068	5.0
169.10115	3.6
173.09573	2.8
173.13266	4.4
175.11208	2.5
175.14809	3.5
177.12741	3.3
183.11696	2.7
186.02231	5.4
187.14838	2.3
188.03729	7.0
189.07330	3.2
193.12186	3.7
201.12866	3.0
215.14444	2.8
219.13803	3.0
222.09476	8.8
223.13307	2.7
229.19464	5.8
247.20541	8.5
249.08154	2.4
257.18951	10.1
275.20035	100.0
276.20447	4.0
293.21005	23.5
295.80417	1.9
298.55920	1.9
299.19922	2.4
307.17203	3.9
315.17905	2.9
325.18372	2.6
333.18854	28.7
351.20029	9.7
370.56573	2.2
398.21466	6.4
416.22513	60.9
417.22440	4.2
434.23584	29.4
509.19971	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	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.05495	5.4
57.03438	2.8
61.02918	2.7
63.91611	1.4
65.03926	1.4
65.12100	1.3
65.41155	1.5
67.05496	5.9
69.03417	2.8
69.07053	3.2
70.00130	2.4
70.00436	2.5
73.02903	9.4
79.05489	11.2
81.03401	4.1
81.07045	7.0
83.08614	3.2
85.02899	4.6
86.09706	2.0
91.05492	3.6
93.07031	13.5
95.04960	3.6
95.08602	15.2
97.02882	5.2
97.06519	2.3
99.04451	3.3
102.92725	1.4
103.05553	1.4
105.07026	3.1
107.04953	17.2
107.08579	10.4
107.79498	1.5
108.85362	1.6
117.07018	2.7
119.08571	3.6
121.02852	3.2
121.10120	5.5
127.01486	1.8
127.03896	2.8
133.10049	2.4
135.11687	22.2
139.07503	2.0
143.08496	1.7
145.10124	11.6
147.04358	3.8
163.11171	30.7
168.00475	1.8
169.01207	1.8
181.12218	6.0
183.02913	3.6
184.03151	2.0
190.64201	1.5
209.11757	2.1
213.07321	3.5
220.31245	1.8
227.12747	42.5
283.15390	100.0
284.15723	3.8
302.04077	4.1
303.04791	17.8
303.08176	2.8
304.05298	24.8
304.08530	3.1
317.06570	7.4
318.06854	17.7
420.27118	2.0
462.07788	2.4
480.08594	4.8
480.16119	2.0
480.30426	2.5
481.16275	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	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86800	1.4
53.03943	9.0
55.01875	10.1
55.05511	7.4
57.03426	6.9
57.07077	1.7
61.02906	6.0
63.20077	1.2
66.90968	1.3
67.05508	9.0
68.99783	2.8
69.03427	40.3
69.03802	2.4
69.07072	6.8
69.19821	7.7
71.01337	1.2
71.04990	6.5
73.02901	6.6
79.05475	6.2
81.03414	32.7
81.07056	34.0
83.04972	4.8
83.08611	6.7
85.02900	100.0
85.06549	5.5
86.03244	1.4
87.00824	42.8
91.03986	1.5
91.05469	9.0
93.07043	10.6
95.04975	1.5
95.08603	39.4
95.09215	2.2
97.02883	35.9
97.06529	9.6
97.10176	4.5
99.04455	12.5
99.08101	5.4
101.55025	1.2
103.03928	1.3
105.01866	34.2
105.07018	11.3
107.08596	6.8
108.04462	2.3
109.02873	35.9
109.10160	3.1
111.08075	2.1
113.09623	2.2
115.03935	1.5
115.07545	1.5
117.01872	4.5
117.07056	2.2
119.08559	19.6
121.06528	1.6
121.10153	6.9
123.08073	4.8
127.03915	59.9
128.04225	1.5
129.01822	4.5
133.10121	11.6
135.08095	1.4
135.11668	10.0
137.13225	8.4
141.09113	3.0
145.04956	19.2
147.02885	2.4
149.13275	1.4
151.07596	5.9
159.02884	15.8
161.13249	56.7
162.13522	1.5
176.77579	1.3
179.14301	85.1
180.14720	2.2
185.09763	1.2
189.03938	2.3
197.15352	44.5
213.03976	4.7
215.16357	9.9
225.14879	2.1
231.04965	14.9
249.06157	1.9
249.43381	1.3
287.16257	1.5
305.17352	8.1
323.18573	4.0
365.19659	2.0
409.18536	10.2
427.19363	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.6
55.01867	10.2
55.05505	15.0
57.03428	10.4
59.04998	3.8
61.02940	5.0
66.09152	2.8
67.05515	17.2
68.99795	2.9
69.03431	23.8
69.07058	12.1
70.12668	2.7
70.39318	2.6
71.04987	8.5
73.02908	8.8
79.05483	15.3
81.03414	25.5
81.07057	52.9
83.04989	4.0
83.08614	10.6
85.02896	63.1
85.06551	9.3
87.00813	28.6
87.04465	12.7
89.06052	5.4
91.05466	18.5
93.07066	16.4
95.08598	42.7
97.02887	32.4
97.06508	16.4
97.10166	6.5
99.04456	12.4
99.08102	3.6
105.01859	21.4
105.07016	20.8
107.08591	8.7
108.04469	4.2
109.02854	23.4
109.06505	5.8
109.10172	4.8
111.08075	3.6
115.07582	3.9
119.04973	4.0
119.08586	27.2
121.02845	5.8
121.06509	4.8
121.10127	7.4
121.94279	2.9
123.08057	7.8
127.01551	3.4
127.03905	45.5
132.82979	3.7
133.06546	3.9
133.08643	4.2
133.10097	17.6
135.11703	16.7
137.13222	14.2
145.04950	13.4
147.04433	10.8
151.07535	7.1
153.03134	3.7
159.02911	9.8
161.13252	76.7
179.14288	100.0
180.14624	3.9
197.15361	42.9
213.03847	3.2
215.16417	8.6
225.69040	3.7
231.05009	8.0
247.06056	9.2
248.06395	9.0
265.07205	7.3
266.07474	5.4
304.05359	4.0
305.17456	5.1
330.12320	3.4
409.18558	6.1
449.10187	3.2
480.17123	12.2
481.18481	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	480.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.5
55.05510	3.0
57.03417	0.9
57.07070	1.7
67.05501	5.6
69.03448	1.0
69.07072	4.1
69.07381	0.7
69.99602	1.9
71.04977	1.1
79.05480	3.8
81.07049	5.2
83.04969	1.8
83.08594	0.8
85.06528	0.7
86.74896	0.6
91.05467	3.4
93.07036	7.4
95.04959	1.3
95.08591	8.6
97.02895	1.9
97.06532	1.1
97.10132	0.7
98.22870	0.6
105.07020	6.9
107.08591	4.0
109.06490	0.9
109.10162	1.8
111.04443	0.8
111.08046	1.1
115.05524	0.7
117.06993	1.9
119.08569	8.2
121.10143	1.2
125.05999	1.0
128.06244	1.3
129.06979	2.6
130.07791	1.4
131.08545	5.6
133.10126	4.3
135.08051	0.8
139.07536	1.6
139.38834	0.6
141.06964	1.2
142.07790	3.7
143.08522	9.0
144.09300	0.9
145.10109	10.9
147.08047	0.9
147.11670	2.1
153.09096	0.6
155.07010	2.7
155.08543	5.4
156.09344	4.1
157.10115	13.8
159.08020	0.9
159.11664	8.9
161.09630	1.0
161.13240	2.3
165.07014	2.1
166.07727	1.7
167.07071	1.1
167.08542	3.7
169.10094	6.1
170.10883	4.8
171.11658	12.3
173.09528	0.7
173.13298	4.0
175.14841	1.0
179.08522	2.6
180.09340	3.0
181.08722	0.8
181.10095	16.7
182.10826	1.4
183.11668	5.1
184.12459	2.6
185.13245	10.0
186.14029	5.1
187.14761	2.9
192.09334	0.7
193.10095	4.2
194.10893	2.6
195.11668	19.0
196.12263	1.9
197.13231	6.9
198.13982	1.5
199.14789	10.2
200.15331	0.8
206.10896	0.7
207.11722	3.5
208.12465	2.6
209.13248	9.7
211.14738	1.4
213.09045	3.1
213.12752	0.7
213.16409	3.5
215.10677	1.6
220.12421	2.0
221.13124	1.5
222.14032	3.0
223.11197	0.8
223.14804	3.5
227.10623	0.9
235.14810	4.2
236.15550	1.2
237.12659	2.6
237.16335	20.2
238.17007	1.0
241.12180	3.4
251.17964	4.3
255.13783	1.6
255.17363	1.9
261.16275	1.1
269.15344	1.4
273.18491	1.4
279.17435	2.3
297.18466	13.5
315.19501	100.0
316.19870	5.0
339.28851	6.3
385.23749	0.6
403.24890	7.9
480.29532	19.1
481.29672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05497	1.6
65.03944	0.6
67.05505	3.3
69.03419	1.6
69.07047	1.3
69.75494	0.9
69.75847	1.0
71.04987	2.8
79.05481	1.8
81.07056	3.2
83.04965	1.6
83.08633	0.8
87.03403	0.4
91.05462	3.2
93.07036	4.3
95.04958	2.0
95.08602	4.0
97.02898	4.8
97.06516	1.0
97.10140	0.5
105.07030	6.5
107.08578	3.3
109.06493	1.2
109.10151	1.1
111.04432	2.2
111.08093	0.7
113.05975	0.4
117.06999	1.2
119.08569	13.2
121.06504	1.0
121.10142	3.4
123.08068	0.5
125.05962	0.5
128.06245	0.6
129.06987	1.5
131.08553	3.1
133.10124	4.6
135.08029	1.4
137.09546	0.8
139.07521	0.6
141.05437	1.6
141.07002	0.4
142.07785	1.5
143.08569	2.5
144.09309	1.0
145.10124	4.8
147.08066	0.9
147.11678	13.0
149.09602	1.2
151.07497	0.6
155.07071	0.8
155.08517	1.1
156.09352	2.1
157.10120	6.7
159.11679	8.3
161.09573	1.6
161.13240	3.7
163.11145	0.5
165.07101	0.6
167.08614	0.8
169.10086	2.4
170.10880	3.8
171.11681	8.4
172.12376	0.5
173.13251	5.2
175.11174	1.5
175.14821	2.8
179.08632	0.6
180.09253	0.9
181.10088	1.3
182.10889	0.5
183.11705	1.6
184.12433	1.8
185.09613	0.6
185.13237	8.6
186.13930	1.5
187.11134	1.0
187.14815	1.7
189.12752	1.7
193.10139	1.2
194.10791	0.9
195.10109	1.1
195.11696	6.0
196.12357	0.8
197.13239	3.0
199.11082	0.7
199.14795	7.4
200.15617	0.5
201.16318	0.7
203.14297	6.2
204.15034	2.7
205.12469	0.5
205.15901	1.3
207.11703	1.3
208.12460	1.2
209.13303	3.3
209.15009	0.7
211.14801	2.4
213.12706	0.8
213.16202	2.1
215.10599	0.6
217.12218	0.6
220.12445	0.5
222.14053	2.2
223.14799	1.5
227.17912	1.5
231.13779	0.6
235.14810	1.8
237.12724	0.6
237.16371	8.3
241.12222	1.0
251.17949	1.9
255.13907	0.6
255.17444	1.9
257.15311	0.7
269.19025	1.3
273.18427	0.8
279.17398	1.5
282.16138	0.9
287.20023	1.0
297.18494	5.8
315.19516	100.0
316.19888	5.7
333.20642	1.2
480.29599	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	480.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45093	3.3
55.05501	13.3
55.22126	3.5
57.03433	5.2
62.06083	25.4
67.05495	12.9
69.07058	20.8
69.07390	3.8
69.59171	6.5
69.59527	13.3
75.56679	3.5
79.05486	10.3
81.07049	12.2
81.23735	3.5
81.87366	3.4
83.08604	13.3
89.06011	10.2
91.05464	8.0
93.07040	11.1
95.08591	14.4
97.10118	6.2
98.23457	7.2
98.98440	3.7
103.05486	5.8
105.06345	6.9
105.07020	93.8
106.07356	25.7
107.08540	5.8
109.10155	5.3
119.08556	4.5
121.06488	11.6
121.10106	9.8
122.06850	5.7
122.64490	3.0
124.93724	6.1
127.01553	7.0
127.97212	3.6
133.08583	4.0
133.10052	3.6
135.11655	4.4
147.08057	5.1
153.03090	3.6
155.00955	5.8
158.70190	3.5
166.02635	3.3
166.09334	4.2
271.15445	13.4
272.15732	9.4
308.29562	18.1
315.19452	6.7
321.80722	3.7
339.25085	7.4
339.28952	100.0
480.21512	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	480.3084
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03936	0.6
55.05511	14.6
57.03434	7.7
57.06829	0.4
57.07079	6.2
62.06081	0.6
67.05499	10.2
69.07066	19.9
69.73180	0.7
71.04975	0.6
71.08632	3.0
77.03932	0.4
79.05482	4.6
81.07054	11.7
83.04967	0.8
83.08614	13.1
85.06519	0.8
85.10165	1.5
91.05463	0.7
93.07038	6.5
95.08598	11.8
97.06530	2.2
97.10164	6.7
98.06060	0.4
98.85378	0.3
98.98467	0.4
99.08031	0.5
105.07033	0.5
107.08589	4.3
109.10146	4.4
111.08083	0.9
111.11717	2.1
117.06884	0.4
121.10126	5.8
123.11723	1.2
124.01624	0.5
124.12416	0.3
125.09566	0.5
131.34250	0.3
135.11687	4.2
137.13223	0.6
139.11101	0.4
149.13295	1.8
151.14561	0.4
153.12666	0.5
163.14821	0.6
165.16382	0.4
180.02968	0.4
198.05328	0.4
216.06355	0.9
247.24286	0.7
265.09689	0.4
265.25201	1.9
290.02872	0.5
303.05032	0.4
304.05261	0.6
308.29477	2.0
339.28912	100.0
340.29230	5.2
394.09152	1.3
395.57214	0.4
464.69318	0.5
473.85959	0.4
480.33340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.05024	1.2
57.03426	0.8
57.07074	0.5
58.06599	1.3
59.07394	0.4
60.08161	18.0
63.45042	0.2
63.60957	0.2
67.05502	1.2
69.07068	1.4
69.49532	1.3
71.07372	6.7
75.65558	0.3
79.05501	1.3
81.07053	1.2
83.08633	1.3
86.09702	48.7
87.10030	0.6
93.07044	1.2
95.08583	0.6
97.06506	1.0
98.23386	0.5
98.98457	4.2
104.10740	100.0
105.11066	0.8
107.08588	1.0
109.10203	0.4
121.10155	1.0
123.11718	0.3
124.99998	27.3
129.05481	0.4
135.11632	0.4
146.98154	0.4
163.01601	0.7
169.01366	0.4
181.02638	0.8
184.07332	94.8
185.07698	1.0
205.19659	0.3
258.11063	1.1
297.24176	0.8
303.05118	0.4
304.05365	1.2
377.97299	0.3
462.29755	7.9
463.30142	0.5
480.30807	22.1
481.24017	0.6
481.31241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65977	13.6
55.05494	21.0
60.23649	13.4
63.75257	12.8
67.05492	43.8
69.07037	23.6
79.05476	40.8
79.89574	15.3
81.07040	77.5
83.04980	66.0
91.05486	55.8
92.36331	14.0
93.07032	59.9
93.27078	15.7
95.04951	65.0
95.08588	66.4
105.07021	100.0
107.08591	54.6
109.06475	18.6
117.06984	22.5
119.08569	51.8
121.10137	40.6
123.11606	18.7
124.03917	40.9
125.68591	14.0
131.08527	21.2
133.10118	52.9
135.11682	20.8
137.52066	15.7
143.08417	15.4
145.10077	41.8
147.11687	33.3
149.13239	19.1
157.10104	23.4
159.11676	29.5
161.13339	20.3
163.03879	24.8
179.41637	16.1
201.16373	37.0
205.70248	14.2
207.06546	26.4
366.14563	16.3
480.33255	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98351	0.4
57.03430	1.0
62.89999	0.4
68.99786	0.6
69.80564	1.1
71.01334	1.0
73.02894	1.5
85.02901	4.8
95.01343	2.5
97.02866	0.4
99.00835	0.4
101.02374	0.5
107.04964	0.4
113.02371	3.4
123.00756	2.5
131.03418	1.0
137.02602	0.4
141.01845	2.5
149.71982	0.4
159.02907	0.8
163.03880	0.9
169.01317	100.0
170.01688	1.9
187.02335	0.6
213.05473	0.6
235.02336	0.4
241.05014	0.6
242.76608	0.4
263.05557	0.7
269.04443	0.9
287.05478	6.7
288.05750	0.4
305.06540	27.8
306.06891	1.0
500.45770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61834	0.4
57.03423	0.6
63.55783	0.4
68.99812	0.6
69.03420	1.1
69.17536	0.4
70.06574	2.1
70.11877	1.0
70.12190	0.6
71.01344	1.3
72.08117	0.7
73.02905	0.8
77.72824	0.5
81.03416	0.9
84.04465	0.8
84.08133	0.6
85.02901	6.9
86.09695	1.7
95.01326	1.8
97.02850	0.6
106.06524	0.7
108.00975	0.4
109.02914	0.4
110.07191	0.7
113.02376	3.9
119.04904	0.5
120.08050	1.1
122.87073	0.4
123.00780	2.1
124.07565	0.6
131.03377	1.6
136.07565	0.7
141.01825	1.7
143.08131	2.3
145.02934	0.6
147.04372	0.8
151.03886	1.4
152.07068	1.1
159.02876	1.3
160.05069	2.7
163.03867	1.6
165.07707	1.2
169.01315	100.0
170.01659	2.1
170.08090	0.6
171.04321	0.6
177.05484	1.1
192.07649	1.7
213.05353	0.6
213.12286	0.7
217.04845	0.6
219.02930	2.7
231.06450	0.5
232.06961	2.4
233.07771	1.1
241.04875	0.5
263.05487	0.8
287.05496	9.3
305.06525	33.8
306.06815	1.2
317.08463	1.1
395.13208	0.7
437.14188	5.2
481.13098	20.7
481.26297	1.8
482.25623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65112	1.1
70.65432	1.3
71.01351	2.4
73.02897	2.2
84.97239	1.1
85.02909	10.2
89.03920	1.8
95.01325	3.4
95.06073	2.1
99.00828	1.1
107.04944	1.1
113.02377	5.7
113.07135	5.5
117.03383	3.4
123.00801	2.5
123.04407	3.5
135.04422	6.5
139.03915	1.0
141.01822	4.2
144.39738	0.9
145.02863	6.3
159.02869	2.0
163.03897	34.7
169.01312	78.2
170.01628	2.8
187.02399	6.7
195.02878	3.0
269.04538	1.4
287.05563	2.6
305.06531	100.0
306.06888	3.7
437.14227	2.9
481.12836	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0981
Annotation	Gossypetin 3-glucoside
Peak:m/z	Relative Intensity
55.15348	1.8
68.99792	84.3
69.03437	2.0
70.06583	3.3
72.08154	2.7
73.02891	2.9
81.03419	2.9
84.04491	3.4
85.02901	5.5
86.09712	4.1
88.04012	2.8
91.05468	3.0
93.07056	3.1
105.07005	2.9
107.04951	3.5
110.07138	4.3
111.00822	2.6
113.07106	3.9
119.04945	2.6
120.08112	3.0
121.02821	2.0
121.06506	48.1
123.00755	2.6
130.05002	4.6
135.04420	3.3
137.05989	8.3
139.00267	16.8
141.01688	1.8
147.04442	7.0
153.01833	2.3
157.01398	3.0
163.03911	7.1
165.01752	2.5
166.99756	12.7
169.01308	20.8
185.00815	100.0
187.02415	3.0
215.06755	2.2
217.08261	2.7
231.06473	5.9
241.04938	4.6
244.69548	2.1
259.06107	10.9
268.00076	2.3
269.04379	2.0
287.05511	81.3
297.11230	2.0
303.04999	24.5
304.05301	22.0
305.05814	54.1
306.06717	3.2
374.35483	2.1
437.14087	2.5
481.12622	4.1
481.26065	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	481.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
57.03429	1.1
67.05498	0.5
68.99757	2.1
71.01326	1.4
71.43328	0.5
73.02888	0.9
79.05471	0.7
80.05828	0.4
81.03396	0.7
84.25586	0.4
85.02903	3.8
88.34297	0.4
89.03885	1.9
91.05470	0.6
91.40042	0.5
93.81028	0.4
95.01299	1.8
95.04915	0.6
95.06070	2.2
96.84654	0.4
99.00830	0.7
103.05418	1.7
107.04971	3.5
109.02845	0.9
109.06551	0.5
111.04395	1.1
113.02359	2.5
113.07130	3.8
117.03379	2.8
121.02896	0.6
121.06471	1.2
123.00804	2.6
123.04425	3.4
127.03866	0.6
131.04918	5.7
135.04422	6.7
136.04707	0.7
137.02382	1.1
137.05936	0.8
139.00269	1.4
139.03926	1.1
141.01819	1.4
145.02850	5.5
149.02351	0.5
151.00323	0.5
151.03885	1.3
152.07053	0.5
159.02956	0.5
159.04449	0.5
163.03899	34.1
165.01857	0.6
167.07303	0.4
168.00543	0.8
169.01320	78.1
170.01649	3.7
171.01817	2.1
173.06026	0.5
183.02866	3.6
185.00798	1.2
185.05968	0.6
187.02361	3.5
187.03838	0.7
189.05383	0.7
195.02867	2.7
205.05061	1.7
213.05447	1.1
235.02396	0.6
241.04980	1.3
269.04468	2.0
273.04065	1.0
287.05392	4.0
301.03577	1.8
302.04370	1.0
303.04971	13.0
304.05267	11.6
305.06488	100.0
306.06830	3.1
317.06558	4.3
318.06873	0.9
319.07388	3.7
319.10901	0.5
327.03220	0.5
399.02228	1.9
412.04260	0.5
463.09323	0.6
481.10162	1.0
481.18909	0.5
482.16623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.098
Annotation	Gossypetin 3-galactoside
Peak:m/z	Relative Intensity
57.03429	1.3
68.99773	1.1
69.94283	2.1
71.01338	1.8
73.02894	2.1
76.81879	0.9
85.02895	7.1
89.03943	1.3
95.01321	2.7
103.42029	0.8
107.04946	1.0
113.02371	3.1
115.78987	0.8
117.03331	1.6
123.00763	3.0
123.04440	1.3
128.65869	0.8
131.03482	1.1
135.04393	3.1
137.02350	0.9
137.05957	0.8
141.01852	2.3
145.02844	2.2
151.00179	0.7
151.03905	3.1
163.03897	17.2
169.01320	100.0
170.01686	2.3
171.01895	1.9
187.02423	3.4
195.02933	1.9
208.67177	0.8
213.05484	1.2
232.07021	1.4
233.07877	2.7
241.05180	1.1
271.04184	1.4
287.05466	3.2
303.04886	7.2
304.05295	5.6
305.06512	72.6
306.06851	3.6
316.87314	0.9
437.14209	5.6
437.19153	0.9
481.13107	16.6
497.61713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82325	7.1
83.96402	1.9
87.04458	6.3
89.06002	3.8
98.23374	2.5
133.08575	2.9
147.04355	5.0
151.04765	5.4
152.03166	3.5
250.74089	2.1
275.25638	1.9
430.12930	2.3
437.11954	20.7
481.11020	100.0
481.28857	42.0
482.11328	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49882	1.2
52.35006	1.2
54.28674	1.2
55.05504	1.5
69.03420	2.2
69.08027	9.5
70.17321	1.3
70.33662	1.1
79.80607	1.4
85.02886	3.5
91.05473	2.3
93.07025	2.2
95.08592	2.2
97.02937	2.0
97.06542	2.3
98.97581	5.8
105.07022	2.5
107.08601	2.0
109.10181	1.3
110.97572	3.3
121.10101	2.7
128.98604	2.4
145.10153	1.5
147.04437	7.1
158.99638	2.0
159.11754	1.4
217.76212	1.2
219.01733	2.5
220.93562	1.4
237.02812	5.3
254.04599	2.5
311.07956	1.8
319.22650	4.2
343.11685	2.3
361.12811	3.7
395.10101	3.3
413.11264	3.6
437.12009	16.6
481.11023	100.0
482.11514	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	481.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85880	0.8
52.83608	0.7
54.03038	0.8
57.03433	1.6
68.99783	0.9
71.01346	1.0
73.02919	1.6
85.02901	8.0
95.01347	2.9
97.02859	1.0
98.22599	1.5
106.06535	2.1
108.08180	1.1
113.02378	3.7
123.00788	1.7
124.07609	1.6
127.03738	1.0
134.06049	1.3
140.02638	2.8
141.01884	2.1
151.03937	5.1
151.04979	1.4
152.07077	3.0
159.02951	1.3
163.03920	1.9
169.01320	100.0
170.01715	2.2
170.08139	2.3
185.04216	1.0
203.40643	0.9
214.05600	0.8
215.06828	1.8
217.04825	1.7
227.05399	2.4
232.07083	14.3
233.07785	7.6
241.05022	1.6
263.05365	1.1
271.04129	3.9
287.05493	8.6
303.04852	2.3
304.05505	1.4
305.06534	37.7
393.24023	1.1
395.13110	3.1
396.84332	0.8
405.53748	1.1
437.14206	31.1
480.01978	1.0
481.13177	81.4
482.13251	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98127	0.4
55.65004	0.4
69.03413	1.6
69.93996	0.4
70.34460	0.8
71.06429	0.4
78.61869	0.4
81.03408	1.6
85.02908	1.8
98.23367	0.8
109.02854	0.9
117.65327	0.5
123.62334	0.7
127.03832	1.2
135.04367	0.7
143.08186	0.8
151.03992	0.6
153.57996	0.4
163.03879	1.2
167.03185	0.5
169.01256	1.5
173.85738	0.5
177.05426	1.1
187.06136	0.6
190.74968	0.4
191.03485	0.9
194.04596	0.5
215.06793	2.6
217.04753	2.3
219.02870	15.4
227.05260	2.6
231.06453	1.3
232.07054	15.2
233.07813	8.6
259.06134	1.4
271.04224	5.2
277.07120	1.5
305.06573	1.5
372.56702	0.5
395.13141	5.0
407.12936	0.5
423.09244	1.8
437.14169	36.1
438.14371	1.5
481.13123	100.0
482.13455	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	481.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01858	0.7
57.03414	1.1
61.02908	0.7
68.99776	0.3
69.03069	0.4
69.03422	7.8
69.70361	0.5
69.70712	0.6
70.06577	1.4
71.04968	0.7
72.08156	1.4
73.02902	1.2
81.03409	9.8
84.08128	0.6
85.02896	10.5
86.09686	0.9
89.03916	0.6
91.05468	0.5
95.04988	0.3
96.43075	0.2
97.02888	4.0
98.22692	0.2
99.04447	1.4
103.03893	0.5
109.02866	7.1
110.07143	0.6
117.03369	0.5
120.06638	0.2
120.08085	2.6
121.02912	0.2
127.03901	5.9
135.03365	0.3
135.04398	4.8
143.08118	0.6
145.02821	0.4
145.04938	0.9
147.04393	1.7
149.02341	0.3
151.03891	0.3
160.93507	0.3
163.03889	4.8
167.96797	0.2
169.01207	1.3
171.04359	0.4
173.02229	1.4
175.03885	3.6
185.06068	0.4
187.05992	5.0
191.01746	0.5
191.03358	6.1
193.04962	1.0
199.03906	0.7
201.01804	0.8
203.03340	0.4
205.06998	0.6
213.05466	0.8
216.04123	0.3
217.04958	2.8
219.02856	100.0
220.03198	2.7
231.06488	4.9
235.10733	1.1
259.05997	6.9
263.10162	0.8
277.04086	0.5
277.07040	9.1
278.07410	0.4
305.06647	1.4
305.09677	0.3
319.04221	0.4
321.07684	0.5
333.07501	0.3
349.06921	0.6
361.06879	0.3
423.09174	8.8
424.09509	0.3
481.11880	1.0
481.17761	0.4
481.25922	2.2
482.26297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08712	0.4
58.37659	0.4
70.17339	0.4
79.05478	0.4
81.07025	0.4
85.02911	0.7
90.46655	0.5
91.05496	0.8
93.07019	0.5
97.02849	0.5
98.42907	0.4
101.58402	0.4
107.04944	5.0
107.08556	0.5
108.86600	0.4
119.04885	0.4
119.08612	0.4
124.61993	0.4
124.67240	0.4
127.03731	1.4
133.10141	0.6
137.05949	0.4
146.20819	0.4
146.86418	0.4
147.04417	1.3
186.06534	0.7
202.73830	0.4
213.07370	1.5
215.05229	0.7
221.83363	0.4
225.05554	0.3
229.06914	0.6
259.05728	0.8
288.91049	0.5
289.05399	0.4
291.08536	0.4
301.08679	0.5
301.11804	1.3
317.08426	3.5
319.12891	0.9
349.12643	0.6
440.12756	0.8
443.66049	0.5
481.16763	100.0
482.17206	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	481.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.5
61.54456	0.5
67.05485	0.5
68.16155	0.4
69.03437	2.6
69.07063	0.6
69.45605	0.4
70.00401	0.4
70.06585	0.9
81.03401	1.1
81.07052	0.7
83.01105	0.6
85.02895	1.2
93.07047	0.8
105.07019	0.9
107.04950	7.8
107.08556	0.5
110.07121	0.8
119.04944	0.6
119.08562	0.8
121.06526	0.5
121.10107	0.5
124.03968	0.8
127.03895	2.1
133.10135	0.8
137.06020	1.1
147.04388	1.1
151.03915	0.6
155.03127	0.8
157.31340	0.5
173.04190	0.9
177.05478	0.6
183.02843	1.0
184.03278	0.6
185.04324	0.6
193.12143	0.5
213.07365	2.2
215.05251	2.0
224.74997	0.5
229.06839	1.4
242.88121	0.5
245.06325	1.2
259.05710	1.0
275.07278	0.7
285.16934	1.1
289.05267	8.2
301.08881	0.8
303.05060	0.8
303.08450	1.0
304.05310	0.6
305.05585	0.8
305.09113	1.2
317.08337	3.3
349.12619	2.4
351.09958	0.6
440.13214	0.6
468.46860	0.5
481.16653	100.0
482.16934	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.5
61.54456	0.5
67.05485	0.5
68.16155	0.4
69.03437	2.6
69.07063	0.6
69.45605	0.4
70.00401	0.4
70.06585	0.9
81.03401	1.1
81.07052	0.7
83.01105	0.6
85.02895	1.2
93.07047	0.8
105.07019	0.9
107.04950	7.8
107.08556	0.5
110.07121	0.8
119.04944	0.6
119.08562	0.8
121.06526	0.5
121.10107	0.5
124.03968	0.8
127.03895	2.1
133.10135	0.8
137.06020	1.1
147.04388	1.1
151.03915	0.6
155.03127	0.8
157.31340	0.5
173.04190	0.9
177.05478	0.6
183.02843	1.0
184.03278	0.6
185.04324	0.6
193.12143	0.5
213.07365	2.2
215.05251	2.0
224.74997	0.5
229.06839	1.4
242.88121	0.5
245.06325	1.2
259.05710	1.0
275.07278	0.7
285.16934	1.1
289.05267	8.2
301.08881	0.8
303.05060	0.8
303.08450	1.0
304.05310	0.6
305.05585	0.8
305.09113	1.2
317.08337	3.3
349.12619	2.4
351.09958	0.6
440.13214	0.6
468.46860	0.5
481.16653	100.0
482.16934	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44136	0.7
59.18169	0.6
67.05507	1.0
68.63734	0.6
68.99788	0.6
69.03416	1.5
69.07074	0.8
69.63258	2.8
70.06599	0.9
77.29319	0.7
79.05503	0.6
81.07001	0.9
85.02890	1.0
91.05487	1.0
93.07065	0.8
95.04958	1.0
95.08567	0.9
97.18661	0.7
105.07021	1.0
107.04950	23.4
116.50284	0.6
117.27310	0.6
120.41533	0.6
127.03809	1.2
137.05946	2.1
145.10146	0.8
147.04396	2.4
185.04097	0.8
186.06554	0.8
205.97110	0.7
211.07089	0.8
213.07323	9.6
215.05260	1.2
237.08669	0.8
255.09540	3.5
301.03406	0.8
317.08380	2.5
349.12231	1.0
368.17972	2.8
368.23523	0.6
375.12613	1.2
410.89761	0.8
432.18484	0.8
437.20337	0.7
448.76819	0.8
481.16782	100.0
481.26328	7.8
482.16986	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	481.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78819	6.3
63.29716	6.5
70.31016	8.7
70.31345	9.2
72.28478	6.1
75.02679	6.8
84.08127	7.2
93.44212	7.2
118.06532	26.5
126.56696	6.3
130.04982	21.1
132.08095	8.6
143.02966	6.7
144.08073	12.6
146.06001	65.3
146.34393	5.9
169.01347	7.7
175.45157	6.8
176.03683	49.7
188.07051	100.0
205.09724	29.0
259.07565	31.3
269.53909	6.6
481.13278	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30590	0.5
55.47876	0.4
65.03937	1.0
69.03069	0.9
69.03424	12.9
70.06571	0.8
70.97541	0.7
71.04980	0.7
72.18291	0.4
81.03423	0.6
84.08088	0.8
84.88354	0.4
85.02896	3.1
91.05475	15.0
93.55902	0.4
95.06065	1.7
97.02877	1.1
99.04448	0.5
103.05444	0.6
109.02874	0.6
113.07124	4.1
114.30198	0.4
119.04930	26.5
127.03894	5.9
129.03313	0.5
129.05402	0.4
132.01984	0.6
135.04419	0.8
137.05942	0.6
141.01843	0.8
147.04399	26.9
148.04701	0.5
149.02283	0.9
152.94247	0.5
157.03938	2.9
163.03885	0.8
164.04691	0.5
167.06934	0.5
168.02890	0.7
169.01291	6.6
175.03889	48.5
176.04298	1.0
179.07030	1.8
207.06505	100.0
208.06876	2.3
219.02910	2.4
219.06508	0.7
225.07513	0.8
231.06517	0.9
233.07808	0.8
235.06021	0.6
236.50719	0.4
259.06012	1.0
263.09134	1.0
263.78424	0.4
270.00226	0.4
287.05426	1.1
291.08578	1.5
305.06552	4.0
351.10681	11.0
352.11200	0.6
369.11789	11.3
437.14023	1.3
470.20319	0.5
481.13162	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	481.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01860	0.8
55.05516	1.8
58.06595	4.1
67.05509	2.5
69.03428	1.5
69.07073	3.5
70.33313	2.1
71.04987	1.9
73.90598	0.8
79.05450	1.7
81.07054	4.0
89.06029	1.6
91.05466	3.0
93.07050	1.9
95.08598	1.6
97.02908	1.3
97.06541	2.5
105.07028	3.8
107.08592	1.2
109.02877	1.2
119.04940	2.2
119.08566	8.7
121.06499	1.4
121.10139	1.7
123.11700	3.2
131.08572	1.0
133.10117	5.2
137.06015	1.0
140.14354	1.0
147.04382	8.1
175.14885	2.5
177.09114	1.3
201.12741	0.9
203.05267	1.7
203.10539	1.0
207.02716	0.9
227.05278	2.1
229.12361	1.2
233.15170	1.2
245.06419	6.0
255.06520	1.1
271.04257	1.6
275.12744	1.1
287.03784	2.2
289.05246	32.0
290.05792	0.9
330.31180	1.0
343.11786	3.4
361.12741	5.6
377.19330	1.9
395.20581	2.8
419.20383	10.5
437.21469	9.9
463.19330	100.0
464.19769	4.0
481.20435	74.9
481.40018	3.2
482.14371	1.8
482.20853	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	481.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05505	4.1
56.05045	1.3
57.03433	1.5
61.02907	1.7
67.05500	4.3
69.03426	3.6
69.07062	3.2
69.28373	5.2
69.28753	1.7
70.06571	1.2
73.02911	1.5
79.05496	2.6
81.03421	4.1
81.07054	3.7
83.08635	2.0
85.02897	8.3
87.04513	1.0
89.80416	0.9
91.05457	4.7
93.07052	4.0
95.08602	7.1
97.02897	3.9
97.10180	1.2
100.11254	1.1
105.07056	5.1
107.08607	4.0
109.02998	1.0
109.06523	1.4
109.10128	6.1
109.40119	1.0
110.07170	2.2
111.04449	2.1
111.08099	1.5
119.04999	0.9
119.08568	12.1
121.10165	3.1
127.03972	1.9
128.07088	1.2
128.10712	1.2
131.08577	1.7
133.10123	12.6
135.11713	3.4
137.09605	1.2
140.07144	1.8
145.05042	1.4
145.10150	2.2
147.04407	2.5
147.11736	3.3
149.13316	2.7
151.14879	1.5
157.10089	1.5
159.11694	2.7
160.13618	0.9
169.01369	1.7
171.11861	1.0
173.13284	1.1
175.14812	7.8
182.15312	1.1
190.08768	1.5
193.12173	1.1
203.05283	1.8
203.18044	2.0
210.14851	1.9
215.74113	0.9
223.13283	1.2
227.05363	1.6
245.06310	6.4
255.21040	1.0
285.16965	3.4
287.03589	5.1
289.05261	100.0
290.05679	3.1
301.21695	2.6
303.04938	19.1
304.05280	12.6
304.08261	1.4
305.05463	34.8
306.05927	1.0
319.22699	7.8
325.10678	1.1
397.28174	1.1
425.61642	0.9
429.21603	1.0
437.21619	1.9
464.31519	1.0
481.09039	5.4
481.20578	46.5
482.20740	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	481.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05505	4.1
56.05045	1.3
57.03433	1.5
61.02907	1.7
67.05500	4.3
69.03426	3.6
69.07062	3.2
69.28373	5.2
69.28753	1.7
70.06571	1.2
73.02911	1.5
79.05496	2.6
81.03421	4.1
81.07054	3.7
83.08635	2.0
85.02897	8.3
87.04513	1.0
89.80416	0.9
91.05457	4.7
93.07052	4.0
95.08602	7.1
97.02897	3.9
97.10180	1.2
100.11254	1.1
105.07056	5.1
107.08607	4.0
109.02998	1.0
109.06523	1.4
109.10128	6.1
109.40119	1.0
110.07170	2.2
111.04449	2.1
111.08099	1.5
119.04999	0.9
119.08568	12.1
121.10165	3.1
127.03972	1.9
128.07088	1.2
128.10712	1.2
131.08577	1.7
133.10123	12.6
135.11713	3.4
137.09605	1.2
140.07144	1.8
145.05042	1.4
145.10150	2.2
147.04407	2.5
147.11736	3.3
149.13316	2.7
151.14879	1.5
157.10089	1.5
159.11694	2.7
160.13618	0.9
169.01369	1.7
171.11861	1.0
173.13284	1.1
175.14812	7.8
182.15312	1.1
190.08768	1.5
193.12173	1.1
203.05283	1.8
203.18044	2.0
210.14851	1.9
215.74113	0.9
223.13283	1.2
227.05363	1.6
245.06310	6.4
255.21040	1.0
285.16965	3.4
287.03589	5.1
289.05261	100.0
290.05679	3.1
301.21695	2.6
303.04938	19.1
304.05280	12.6
304.08261	1.4
305.05463	34.8
306.05927	1.0
319.22699	7.8
325.10678	1.1
397.28174	1.1
425.61642	0.9
429.21603	1.0
437.21619	1.9
464.31519	1.0
481.09039	5.4
481.20578	46.5
482.20740	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	481.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07742	0.3
58.06585	1.0
67.05496	0.5
69.03423	0.6
70.06596	0.6
72.08148	0.4
74.00649	0.4
84.04502	3.0
85.02929	0.6
86.09704	0.5
88.03973	1.2
90.75841	0.3
91.05473	0.5
95.08614	0.4
109.02886	0.6
117.04833	4.9
119.04944	0.4
121.02862	1.4
126.53314	0.4
127.03922	0.6
130.04977	2.7
137.06020	0.4
138.02165	0.4
147.04404	1.4
203.04662	0.5
217.08131	2.6
219.03764	0.4
229.05043	0.5
231.05399	0.4
249.05367	0.7
257.04547	0.8
259.05182	0.3
264.06610	0.7
265.04907	0.8
267.06583	0.7
275.03238	0.4
287.14014	0.4
292.05948	0.5
303.04932	1.9
304.05371	1.2
305.05463	3.2
306.21399	0.6
319.04385	0.4
321.08704	2.3
334.16885	0.3
337.08133	4.9
365.07614	2.5
439.51682	0.3
481.26172	100.0
482.26410	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01864	2.6
55.05509	11.6
57.03428	6.9
57.07067	1.5
59.04989	1.8
61.02920	6.6
67.05494	7.9
69.03422	26.2
69.07074	7.8
71.01343	1.7
71.04988	3.5
73.02911	3.1
75.08572	1.1
79.05465	6.4
81.03410	13.2
81.07050	8.7
83.04960	3.2
83.08591	5.9
85.02898	61.9
85.93465	1.3
87.04449	4.2
91.03957	2.9
91.05469	9.8
93.07038	13.2
95.04944	2.5
95.08598	17.9
97.02874	22.3
97.10139	7.1
99.04436	5.1
101.02335	1.1
103.05492	1.1
105.07018	15.6
107.04918	2.3
107.08584	16.3
109.02852	8.0
109.06488	1.6
109.10141	11.6
111.04402	2.3
111.08093	2.7
112.89915	1.1
117.06999	4.8
119.08566	19.7
121.06547	2.0
121.10136	18.3
123.00793	2.2
123.08088	1.6
123.11703	5.2
127.03905	16.9
129.06978	2.7
131.08543	9.2
133.10120	18.0
135.04425	3.6
135.08057	1.2
135.11678	7.8
136.04729	1.5
137.02327	1.7
137.06004	2.2
142.07732	2.4
143.08539	5.0
144.09279	1.5
145.04950	10.9
145.06017	1.2
145.06509	1.2
145.10109	11.4
146.58900	1.2
147.11668	10.5
149.06003	2.4
149.13268	7.4
153.09120	1.6
155.62334	1.1
156.09334	3.3
157.10130	9.8
158.10909	2.1
159.08003	1.3
159.11684	17.4
161.13214	8.4
163.07484	2.6
163.14799	5.3
165.05580	1.3
169.01285	2.9
169.10152	1.9
171.11638	5.9
173.09471	1.2
173.13274	6.6
175.11124	2.0
175.14810	4.9
177.12724	2.6
177.16362	1.9
179.10660	1.6
185.13232	6.3
187.11188	2.8
187.14825	2.9
189.16426	5.6
190.08636	1.9
191.10608	2.6
191.14301	1.4
191.17900	1.9
193.12184	3.0
199.11142	2.4
199.14667	2.5
201.12704	1.8
201.16351	3.8
203.10736	1.4
203.14206	1.3
203.17957	16.6
205.12183	10.9
211.13202	1.9
213.12749	4.0
213.16273	1.3
217.12245	2.8
219.13733	5.3
223.13258	6.1
227.14226	1.9
231.13751	5.4
237.14806	4.1
241.19554	2.2
245.15326	2.9
249.14801	9.1
255.21063	3.6
259.17001	1.7
273.22052	4.2
283.20459	2.8
285.16959	4.6
287.04446	1.5
289.05188	7.5
301.21606	24.6
302.22314	1.4
303.04932	52.4
304.05295	52.6
305.05508	100.0
306.05786	4.3
319.12836	1.5
319.22653	58.7
320.23013	2.5
363.60870	1.0
481.08890	17.3
481.20486	3.6
481.27716	4.2
482.08420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2797
Annotation	Pharboside A
Peak:m/z	Relative Intensity
53.03944	5.4
55.01869	15.1
55.05511	30.5
57.03442	10.3
57.07067	5.9
59.04985	1.8
60.08176	2.3
61.02919	10.7
63.04221	1.6
67.05503	8.9
69.03065	2.3
69.03428	37.1
69.07059	14.6
69.36253	1.4
69.41848	8.1
70.06580	2.5
71.05013	3.7
72.04517	4.9
73.02915	4.4
77.22679	1.7
79.05482	10.0
81.03423	16.8
81.07058	16.1
82.06586	2.2
83.04980	4.4
83.08608	15.1
84.04504	17.7
85.02902	90.5
85.06547	4.3
86.09705	2.7
87.04469	5.5
91.03944	4.5
91.05494	13.8
93.07041	20.7
95.04959	4.5
95.08604	32.2
97.02897	30.9
97.06520	1.9
97.10162	10.7
99.04456	7.9
100.07624	2.4
100.11250	51.0
105.07030	22.0
107.04964	1.5
107.08586	26.5
109.02879	14.8
109.06487	1.9
109.10152	14.7
111.04440	9.6
111.08064	1.7
112.07607	2.3
114.09119	2.0
115.03944	2.0
117.07011	5.9
118.07703	1.7
119.04948	4.5
119.08574	29.0
121.02846	2.9
121.06499	4.1
121.10139	28.0
123.08076	3.1
123.11697	6.3
127.03923	23.6
127.08762	1.7
128.07060	3.0
129.06992	3.9
131.08594	11.0
133.06441	1.8
133.10115	24.5
135.08037	3.1
135.11702	10.8
137.05939	8.6
139.07510	2.6
142.07747	2.1
142.12262	10.8
143.08553	8.4
144.09402	1.8
145.04964	15.0
145.06026	1.9
145.06491	1.7
145.10109	16.7
147.04399	11.4
147.08080	2.7
147.11681	17.3
149.05946	3.6
149.13243	12.4
153.09084	3.0
154.12256	18.4
155.08647	2.0
156.09322	3.9
157.10127	13.0
159.08009	1.7
159.11681	23.7
160.91298	1.5
161.09598	3.8
161.13268	12.0
163.07491	2.9
163.14830	6.7
168.13878	8.9
170.11816	9.7
171.10257	2.8
171.11690	9.9
171.14899	2.1
173.09630	2.5
173.13254	12.1
175.11185	2.0
175.14844	6.1
177.12732	2.6
182.15393	11.1
183.11693	2.5
184.16980	11.0
185.09528	1.9
185.13261	8.0
187.11209	5.5
187.14813	3.4
189.12698	2.8
189.16371	8.9
191.10699	4.2
191.14281	1.8
191.17938	3.9
196.13342	5.7
199.11234	2.4
199.14830	5.2
201.12640	3.3
201.16425	5.5
203.10678	2.7
203.14267	2.8
203.17947	23.5
205.12196	14.1
209.16429	4.4
210.14926	19.6
213.12737	5.8
213.16255	2.1
217.12196	3.5
219.13795	10.2
221.96770	1.8
223.13255	11.3
227.14441	1.7
227.17616	3.0
228.15979	6.6
231.13724	10.1
237.14946	5.3
241.19519	4.3
245.15225	3.7
249.14796	13.2
255.21091	8.4
257.22577	2.8
263.16443	1.9
273.22110	6.3
281.18594	12.8
283.20517	7.2
286.24945	5.9
301.18466	3.2
301.21625	37.4
311.23337	10.7
312.26450	3.8
315.12225	2.2
319.22678	100.0
320.23087	2.5
360.15652	1.9
361.12906	2.9
379.30740	3.9
396.28406	2.3
422.30011	3.5
463.36258	5.9
481.18286	3.1
481.28085	5.4
481.37497	47.6
500.29999	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	482.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05874	3.8
80.08391	1.7
94.93008	8.2
100.73219	1.5
104.10745	3.0
108.93305	1.5
112.89590	19.5
114.33691	1.4
114.89352	3.8
132.02177	2.0
138.05482	2.0
139.91458	100.0
176.01036	2.8
196.87804	15.7
202.89133	1.9
202.92703	3.0
207.01392	18.5
212.85204	51.9
222.98788	34.7
224.98659	2.7
232.92371	2.2
248.89656	5.0
264.88733	1.6
306.85516	2.1
314.50494	1.9
338.97101	1.7
344.85641	2.3
380.90344	6.2
380.97742	3.6
381.07840	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	482.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37627	2.7
65.45558	2.4
66.75006	2.4
69.24457	8.9
69.24860	7.0
70.06631	3.2
71.40246	2.6
79.05480	4.1
85.02901	5.0
93.07061	5.7
98.22613	3.3
107.04974	10.0
107.08571	4.0
108.05325	4.1
115.03930	3.6
130.09680	3.4
131.04948	2.6
133.27519	2.5
135.11687	14.7
147.04381	3.5
150.35997	2.8
169.01324	51.3
170.01665	31.8
171.01768	16.4
172.02127	7.5
184.07188	3.2
203.10359	4.9
247.56255	2.8
289.07092	20.5
303.04889	32.4
304.05301	86.8
305.05472	70.2
306.05798	100.0
482.09088	34.4
482.16495	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	482.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.8
56.20239	0.8
58.06597	1.7
58.80107	0.8
59.71633	0.9
61.73269	0.9
65.03954	1.9
67.05496	1.6
67.43636	0.8
68.99800	2.6
69.03442	1.4
69.07053	1.1
69.09081	2.7
69.09502	4.3
71.04992	1.3
73.02905	1.5
74.45638	0.9
79.03684	1.0
79.05477	2.4
81.03399	1.0
81.07067	2.2
82.06573	1.1
82.29413	0.9
83.04975	2.4
83.40636	0.9
84.04495	3.2
85.00584	1.0
85.02902	1.9
86.06082	0.9
87.04467	2.3
88.04015	1.1
89.05560	1.2
89.06026	6.8
91.05480	2.9
93.07031	2.7
97.02895	2.1
97.06499	1.5
98.22659	1.4
99.03314	1.8
102.05550	1.3
105.07033	3.6
107.04958	0.9
109.06596	0.9
110.79903	1.0
110.91448	1.0
111.04429	0.9
115.05470	1.3
117.06974	0.9
119.04958	5.5
119.08623	1.0
120.08081	2.0
121.02862	35.9
121.03790	2.1
121.04636	2.1
124.03912	0.9
127.01561	6.4
130.05005	3.4
133.06494	3.0
133.08617	2.4
133.10060	1.5
137.02345	3.2
137.05893	1.2
139.01556	1.5
141.06975	1.1
144.84804	0.9
145.02843	28.0
147.04448	4.1
148.04761	1.7
153.03133	7.8
160.07674	1.1
161.06017	4.6
163.03874	1.5
165.01857	3.9
165.05495	2.9
165.06892	1.0
167.08635	1.1
170.04474	1.1
173.05930	0.9
178.04858	1.1
179.07034	3.6
183.04431	1.0
189.05450	2.3
191.07013	1.9
193.04991	3.3
194.07310	1.0
195.08043	1.4
197.05801	2.9
207.06596	2.3
209.04497	1.3
213.05510	2.8
213.22368	0.9
217.04977	1.4
220.09647	3.0
223.07518	1.1
227.07091	1.3
235.06000	1.6
236.08235	1.2
239.07086	2.1
251.06931	4.5
252.07866	1.5
254.05814	3.1
255.06520	53.5
256.06790	1.3
264.07816	2.8
265.08694	2.9
266.10132	1.7
267.06552	1.3
268.07309	1.8
269.04489	1.1
272.09076	2.5
277.08685	2.4
278.09344	7.5
279.06845	3.3
279.10132	45.0
280.10733	5.3
281.08591	1.3
281.11694	4.0
283.06113	6.0
283.09680	19.5
291.10226	2.6
292.07355	1.0
293.07962	4.6
295.06125	2.1
295.09641	2.6
299.05490	2.0
306.05109	1.1
307.06207	3.3
307.09613	86.9
308.10013	4.9
309.07578	5.1
309.11255	18.7
311.09097	20.2
318.09863	1.6
319.09677	2.3
320.11362	1.0
321.07584	24.5
321.11267	2.1
327.08475	1.0
335.09106	14.7
336.10611	1.7
337.10675	4.0
338.10550	1.3
339.08655	10.8
344.11536	2.5
346.09317	2.3
353.10266	5.3
355.08078	3.3
374.14020	1.7
380.73889	0.9
384.10852	3.2
390.13385	1.8
392.15033	9.7
404.22122	1.2
420.14746	1.9
436.13931	100.0
437.14246	6.2
454.15018	3.0
464.13235	13.3
482.14444	88.2
483.14197	5.9
491.86856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.5
57.03430	0.8
58.06581	0.4
60.64508	0.3
65.03934	4.8
67.05498	0.5
68.99780	4.1
69.03431	0.8
69.37241	1.1
69.37624	0.7
73.02895	0.4
74.06065	0.9
77.44627	0.3
78.06257	0.4
79.05478	0.7
79.90344	0.4
80.07465	0.3
81.07052	0.9
83.08604	0.6
84.04497	4.3
84.08127	0.6
85.02898	0.4
87.04441	0.5
89.06018	1.2
91.05007	0.3
91.05473	2.2
93.03377	0.5
93.07040	0.4
95.04971	1.0
97.06483	0.4
100.11229	1.2
100.62517	0.3
102.05537	0.5
105.07023	0.9
111.04441	3.9
119.04944	3.2
121.02859	100.0
121.03908	4.2
122.03195	1.6
124.03947	0.4
128.10678	0.8
130.04994	12.3
133.06483	0.6
138.09123	1.1
145.02821	2.3
145.06413	0.4
146.09407	0.4
147.04398	12.2
147.06839	0.6
147.07962	0.3
148.04738	0.6
149.04712	1.1
156.10123	0.7
161.06012	1.5
163.03876	3.9
163.07555	0.6
172.07523	0.5
176.10672	2.1
178.08626	13.8
179.08931	0.4
180.48659	0.3
182.15425	1.4
187.07631	0.4
188.03868	0.3
188.07100	0.8
189.05446	1.6
190.08603	0.4
199.16846	0.4
202.08653	0.5
204.10161	1.7
205.08583	0.5
210.14915	1.1
214.08607	0.4
216.06546	0.7
217.04936	0.5
222.11249	6.1
226.08653	0.4
227.45695	0.4
228.06540	1.7
228.10217	1.0
230.08051	0.6
233.04434	2.6
235.06068	0.8
244.09781	0.7
246.11253	2.0
255.06432	0.6
256.06116	1.0
256.09756	1.5
257.04434	0.5
270.11310	0.6
272.09329	0.9
272.23477	0.4
274.07123	2.7
274.10760	1.0
279.10266	0.4
281.08325	0.4
282.07751	0.6
283.06055	0.6
283.09738	0.6
288.12393	0.6
292.11780	3.0
297.11279	0.4
300.08701	1.3
311.09183	1.3
316.11826	1.2
318.09702	8.5
319.10037	0.5
320.11383	1.1
325.10764	0.4
334.12796	2.0
335.09088	1.1
336.10736	4.6
339.08804	0.8
344.11182	1.9
346.09183	7.5
362.12289	3.6
364.12024	0.4
366.15051	0.5
392.11334	1.7
392.15463	0.4
412.13989	0.5
436.13824	1.3
454.14801	3.2
464.13309	0.6
481.37466	0.6
482.14426	49.1
483.14719	2.9
483.22031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34098	0.3
57.03456	0.3
62.39334	0.3
65.03937	0.3
66.02734	0.2
67.05513	0.3
69.03433	0.7
70.06597	0.4
71.04993	0.5
73.02876	0.3
81.03409	1.0
81.07052	0.4
83.16585	0.2
85.02882	1.4
86.84333	0.3
89.10776	0.3
93.07008	0.6
94.02886	0.6
97.02882	0.8
99.04473	0.3
106.58099	0.3
107.08595	0.6
109.02862	0.7
112.03959	100.0
113.04309	1.6
121.06449	0.4
122.72351	0.3
125.05949	0.5
127.03913	0.6
131.04916	0.4
133.10039	0.3
135.11708	0.7
137.06003	0.3
145.04944	0.4
151.03899	20.2
151.04929	0.9
152.04204	0.5
152.07072	0.7
153.12727	2.6
159.07980	0.3
169.01279	0.4
169.04965	1.2
170.08113	35.8
171.08490	0.8
191.31068	0.3
199.13213	0.6
219.83664	0.3
270.04547	0.3
295.08121	1.3
304.05231	0.4
305.05460	0.4
306.05795	0.5
313.09137	0.8
319.06720	0.3
320.07376	0.5
475.36719	0.3
482.16599	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	482.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
57.03412	0.8
65.03933	3.9
67.05492	2.3
69.03423	1.6
70.39212	1.2
71.98885	0.5
77.03919	0.9
79.05494	5.5
80.05011	1.4
81.03410	4.0
81.05772	1.4
81.07045	0.6
82.06557	0.6
82.87749	0.5
82.88309	0.5
83.04979	0.9
85.02910	2.7
91.05435	0.5
92.04994	5.8
93.03387	1.0
95.04958	3.4
96.08125	5.4
97.02876	1.0
98.23438	0.6
104.56989	0.5
105.04511	1.9
106.06551	43.6
107.04934	1.8
107.06892	0.7
108.02113	0.8
108.08115	18.9
109.02882	1.9
109.05267	1.5
110.06124	0.5
110.23292	0.6
111.04434	1.8
113.02405	0.8
114.76784	0.5
122.06029	0.9
123.06812	5.4
124.07589	27.7
125.05994	2.2
125.07920	0.5
127.03891	1.0
131.04926	0.6
134.06012	26.8
136.07562	4.1
141.05455	1.9
141.06546	0.6
151.03905	100.0
151.04977	6.7
152.04431	2.9
152.07060	77.5
153.07513	1.6
163.03909	1.1
163.80101	0.6
169.01321	10.1
169.04929	3.8
170.01666	5.9
170.08122	56.7
171.01773	3.5
171.08528	1.1
172.02116	1.0
196.03008	0.5
198.19518	0.5
201.18990	0.6
212.16512	0.5
258.11237	1.0
284.09033	1.1
295.08069	4.9
296.11349	0.8
302.10190	0.6
303.04947	6.4
304.05316	15.2
305.05563	11.5
306.05820	22.6
313.09268	2.2
314.12506	1.9
320.11227	0.6
332.13437	1.7
439.15649	0.7
446.14886	1.5
464.10013	0.6
464.15546	12.9
465.15546	0.6
482.16653	37.7
483.15408	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	482.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
57.03412	0.8
65.03933	3.9
67.05492	2.3
69.03423	1.6
70.39212	1.2
71.98885	0.5
77.03919	0.9
79.05494	5.5
80.05011	1.4
81.03410	4.0
81.05772	1.4
81.07045	0.6
82.06557	0.6
82.87749	0.5
82.88309	0.5
83.04979	0.9
85.02910	2.7
91.05435	0.5
92.04994	5.8
93.03387	1.0
95.04958	3.4
96.08125	5.4
97.02876	1.0
98.23438	0.6
104.56989	0.5
105.04511	1.9
106.06551	43.6
107.04934	1.8
107.06892	0.7
108.02113	0.8
108.08115	18.9
109.02882	1.9
109.05267	1.5
110.06124	0.5
110.23292	0.6
111.04434	1.8
113.02405	0.8
114.76784	0.5
122.06029	0.9
123.06812	5.4
124.07589	27.7
125.05994	2.2
125.07920	0.5
127.03891	1.0
131.04926	0.6
134.06012	26.8
136.07562	4.1
141.05455	1.9
141.06546	0.6
151.03905	100.0
151.04977	6.7
152.04431	2.9
152.07060	77.5
153.07513	1.6
163.03909	1.1
163.80101	0.6
169.01321	10.1
169.04929	3.8
170.01666	5.9
170.08122	56.7
171.01773	3.5
171.08528	1.1
172.02116	1.0
196.03008	0.5
198.19518	0.5
201.18990	0.6
212.16512	0.5
258.11237	1.0
284.09033	1.1
295.08069	4.9
296.11349	0.8
302.10190	0.6
303.04947	6.4
304.05316	15.2
305.05563	11.5
306.05820	22.6
313.09268	2.2
314.12506	1.9
320.11227	0.6
332.13437	1.7
439.15649	0.7
446.14886	1.5
464.10013	0.6
464.15546	12.9
465.15546	0.6
482.16653	37.7
483.15408	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	482.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
56.80321	0.7
65.03936	4.0
67.05489	2.2
69.03419	1.9
69.72239	3.3
77.03944	1.2
78.64648	0.8
79.05505	7.8
80.04977	1.1
81.03415	4.8
81.05804	2.3
82.06491	0.8
85.02905	4.0
92.04996	7.4
93.03367	1.6
95.04970	2.9
96.08135	5.9
97.02862	1.6
99.04507	0.9
104.04932	0.8
106.06555	44.8
108.02092	1.5
108.08121	17.9
109.02888	2.2
109.05248	1.4
111.04445	2.1
122.06046	1.2
123.06800	6.6
124.07590	28.9
125.05989	1.9
125.07865	1.3
127.03930	1.0
134.06010	29.7
136.07578	3.7
140.02612	8.6
141.05437	3.1
145.02646	0.9
145.04974	0.9
151.03908	100.0
151.05000	7.3
152.07065	81.9
153.07506	1.3
158.03653	3.0
169.01312	19.3
169.04939	3.2
170.01651	10.4
170.08122	54.2
171.08492	1.5
232.07263	1.0
233.07558	2.0
258.11252	1.8
284.09109	1.4
288.05893	1.4
295.08157	4.6
296.11292	1.1
302.10080	1.0
305.06519	3.1
306.06924	6.8
313.09171	2.5
314.12317	2.4
320.08734	1.2
332.13287	2.1
349.84207	0.8
438.14471	7.8
446.14154	1.0
464.15549	14.9
482.17123	41.2
483.16577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36228	0.2
51.57373	0.2
53.03924	0.3
55.05497	0.8
58.35176	0.2
65.03912	0.2
66.59043	0.2
67.05495	1.7
69.07064	0.8
69.69807	0.7
70.17436	0.2
78.03438	1.3
79.04191	0.2
79.05491	0.9
80.05012	4.1
81.07049	2.8
83.04950	0.4
83.08596	0.3
85.06516	0.2
91.05463	2.3
93.07044	1.8
95.04936	0.5
95.08591	4.7
96.04486	2.9
98.23476	0.2
103.05441	0.2
105.07028	3.7
106.02880	1.4
107.08577	2.0
109.06521	0.4
109.10146	2.0
109.30156	0.2
111.04417	1.3
117.06998	0.8
117.45798	0.2
119.06018	0.2
119.08570	7.7
121.06496	0.3
121.10119	1.5
123.08002	0.2
123.11671	0.4
124.03941	100.0
125.04280	1.4
128.06172	0.4
129.07019	0.8
130.07784	0.3
131.08559	1.6
132.53091	0.2
133.10112	8.4
135.08078	0.3
135.11710	1.0
137.09555	0.2
139.07556	0.4
141.06961	0.6
142.07794	0.4
143.08566	1.5
144.09311	0.2
145.10107	3.2
147.08047	0.3
147.11664	3.2
149.13307	0.3
155.08577	1.0
156.09311	0.6
157.10092	1.8
159.10390	0.2
159.11679	3.8
161.09642	0.3
161.13266	1.5
163.11174	0.3
165.09120	0.3
167.08540	0.3
168.09306	0.3
168.95790	0.2
169.10121	1.5
170.10913	0.6
171.11650	2.2
173.09589	0.2
173.13255	2.1
175.11197	0.3
179.10605	0.3
181.10114	0.3
182.10875	0.4
183.11646	2.1
184.12431	0.2
185.09656	0.2
185.13205	1.8
185.34935	0.2
187.11166	1.0
187.14792	1.2
188.15532	0.3
189.16383	1.0
191.10678	0.5
194.27249	0.2
195.11679	0.8
196.12421	0.3
197.13237	2.4
199.11174	0.5
199.14801	1.5
201.12730	0.3
201.16331	1.4
202.17218	0.3
203.10823	0.2
205.12282	0.8
207.11719	0.2
209.13316	0.5
211.11198	0.5
211.14767	1.3
213.12729	0.4
213.16443	0.5
217.12245	0.5
223.14793	0.3
224.15681	0.3
225.12741	0.7
225.16289	0.4
229.12228	1.0
231.13860	0.4
237.16307	0.6
239.14357	0.5
239.17880	1.7
243.13783	1.1
253.19463	2.3
257.15387	0.7
258.92792	0.2
263.17819	0.3
271.20544	0.4
281.18970	1.5
299.20029	10.1
300.20404	0.5
317.21057	4.7
318.21570	0.3
356.21463	0.2
359.22311	0.4
382.21820	0.2
403.14804	0.2
446.88748	0.2
482.25342	17.6
483.25824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05507	6.1
57.03428	5.2
66.66528	1.8
67.05493	9.1
69.03439	2.9
69.07049	5.7
70.06577	3.0
71.41157	1.9
72.87046	2.8
79.05488	11.4
81.03411	30.1
81.07052	10.2
83.04950	7.3
83.08613	12.7
84.08134	3.0
85.02898	15.5
86.09723	2.3
90.01963	2.2
91.03984	2.4
91.05447	7.1
93.07032	8.1
95.04950	13.2
95.08602	4.7
97.02860	3.8
97.06514	3.1
105.07027	7.8
107.08601	3.7
109.06519	2.1
109.10175	2.8
111.08073	5.2
113.06011	2.4
116.26322	1.9
116.82872	2.5
119.04941	3.0
119.08564	6.3
121.02783	2.4
121.10133	4.2
122.18020	2.6
129.06982	4.6
131.08574	4.9
133.10129	4.9
140.07059	5.6
142.07819	2.4
147.08025	2.7
147.11647	7.9
149.09648	3.0
157.10094	8.4
163.11124	2.1
175.11188	10.8
193.12219	30.8
195.65877	1.9
196.48431	1.9
211.13269	25.8
219.07840	2.0
221.17892	2.0
261.99280	2.0
267.15866	9.0
285.16916	100.0
307.35492	2.2
313.11560	2.4
341.11346	2.2
431.95517	2.4
449.35141	2.4
482.17319	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02677	2.6
53.03940	6.6
55.01869	6.1
55.05511	7.8
55.64711	2.7
56.26565	2.8
56.96567	2.8
57.07071	10.8
59.05006	3.9
68.99800	4.5
69.03426	21.9
69.07066	50.5
71.04988	10.2
71.08640	7.0
73.02914	6.5
73.06557	12.1
77.18398	3.0
81.03023	3.0
81.03392	17.8
81.07037	4.4
85.02906	44.2
85.10185	5.0
87.00816	23.8
87.04456	4.9
89.06019	32.8
91.05491	5.6
95.04961	6.1
97.02892	30.0
97.06538	12.3
99.04469	9.7
104.53620	3.2
105.01870	37.2
105.07056	4.7
107.08665	3.9
109.02856	17.4
111.04443	4.8
111.11723	75.8
117.01881	3.8
119.08630	3.6
124.03970	10.2
126.46859	3.2
127.01598	3.9
127.03926	41.8
129.12755	100.0
145.04950	16.8
147.04362	5.4
149.13078	3.3
159.02879	8.1
199.16959	14.9
210.15231	3.4
217.17973	10.4
226.58418	3.2
231.04970	11.6
255.65207	3.3
265.06934	3.8
331.19217	5.8
361.12936	4.6
362.13037	9.5
398.11380	4.3
404.10992	13.8
405.10501	10.3
482.13391	8.1
482.19037	12.0
482.25177	6.1
483.13638	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	482.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05502	2.8
57.07061	3.0
63.21106	0.7
65.03919	1.0
65.09196	0.6
67.05503	3.4
69.03439	0.9
69.07054	1.9
69.11931	4.2
71.04941	0.7
79.05483	2.9
81.02956	1.4
81.03410	15.2
81.07055	6.4
83.04977	1.8
83.08601	1.3
85.06546	0.7
87.58714	0.7
89.06004	2.0
90.57187	0.7
91.05470	4.9
93.03352	0.7
93.07045	4.2
95.04967	2.4
95.08597	6.9
97.02894	2.6
97.06516	1.3
105.07028	9.8
107.08582	6.1
109.06523	1.6
109.10149	2.1
111.04445	1.9
111.08099	0.8
117.07009	2.9
119.08575	14.3
120.08897	0.6
121.02897	1.0
121.06524	0.9
121.10142	5.0
123.08047	2.2
124.03981	0.7
125.05961	0.9
127.03897	8.0
128.06235	1.0
129.06966	1.6
130.07787	1.3
131.08546	8.4
133.08604	1.1
133.10124	7.1
135.08020	1.7
135.11682	0.8
139.03877	0.7
141.06990	0.9
142.07698	0.9
143.08554	6.8
144.09286	1.4
145.10114	50.0
146.10440	0.9
147.11684	13.4
149.02348	1.4
149.09619	2.6
149.13283	1.2
153.48819	0.7
155.08473	1.5
157.10133	6.5
158.10901	3.1
159.08086	0.9
159.11653	13.6
161.09645	2.0
161.13217	2.1
169.10086	2.4
170.10875	1.3
171.11659	3.6
172.12491	7.4
173.09619	1.9
173.13216	4.7
175.14755	1.5
177.16498	1.2
181.10085	1.7
183.11696	1.9
185.13260	2.7
187.14803	100.0
188.15164	4.2
189.12679	0.8
189.16341	1.2
193.04945	1.8
193.10129	1.7
196.12456	1.4
197.13184	1.6
199.11122	0.7
201.12683	1.5
201.16394	1.4
205.15855	8.2
207.11650	1.5
209.13269	0.9
211.11377	1.3
211.14801	3.9
213.16362	1.4
215.14264	1.7
216.14928	1.0
219.11940	0.9
220.12512	1.2
221.13203	1.0
223.14650	0.8
225.16336	1.2
229.12186	0.8
229.15846	2.2
233.15323	1.1
235.14815	3.2
237.07564	2.0
247.05794	0.8
249.16423	1.3
267.17441	1.0
271.16852	1.0
285.18439	1.3
289.17911	0.8
295.17010	3.8
313.17926	8.6
329.11496	0.8
331.19000	62.4
332.19260	2.3
362.13248	0.8
482.27411	19.7
483.28793	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	482.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	6.0
67.05514	9.2
70.92981	7.8
79.05482	9.9
81.03414	7.4
81.07070	8.3
83.04964	8.0
91.05499	18.0
92.08778	4.8
93.07051	15.0
95.08601	15.5
105.07014	24.9
107.08593	12.7
109.06512	8.7
109.10167	10.4
111.04453	9.7
119.08582	26.4
121.10069	6.6
124.03931	6.5
131.08583	13.9
133.06482	6.9
133.10150	13.0
134.07307	7.7
140.10112	5.7
143.08560	14.7
145.10167	20.1
147.11690	9.5
149.02350	9.8
155.08577	9.2
156.09381	7.6
157.10138	15.7
159.11711	21.7
169.10132	12.5
170.10883	5.6
171.11652	17.3
173.09613	6.8
173.13272	11.2
181.10100	7.5
183.11708	26.2
185.13268	14.3
187.11253	7.9
187.14822	25.9
193.05000	8.8
193.10262	7.3
195.11746	14.6
196.12376	5.6
197.13252	13.1
198.14064	12.9
203.14307	12.1
207.11731	8.6
209.13245	10.2
211.14838	11.2
221.09839	6.5
221.13287	7.0
225.16396	8.0
235.14838	12.0
237.07697	16.4
249.16364	11.8
253.15717	7.7
256.13861	5.8
267.17471	9.6
271.16928	8.2
276.68256	5.3
277.15845	10.8
285.18625	11.8
285.90115	5.2
295.16937	62.6
313.17963	100.0
331.19101	17.8
335.62988	7.5
355.18954	11.8
373.20172	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
73.42155	4.9
80.73215	6.0
85.14384	4.5
93.07001	7.3
103.82307	5.6
105.07050	6.5
124.03938	16.2
131.08569	6.7
131.42409	5.2
145.10114	9.1
146.13078	4.6
220.12497	5.5
235.14845	5.9
237.07704	8.8
258.35913	5.9
295.16815	9.1
313.17917	18.1
373.20273	25.4
409.51697	6.5
482.27353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53248	1.0
55.05511	2.3
57.07076	64.4
58.07420	1.1
69.07068	6.5
71.08631	63.2
73.06551	3.2
83.08624	3.8
85.10180	35.0
87.04468	3.6
89.06028	100.0
90.06386	1.5
97.10193	3.5
99.11730	6.0
105.07042	4.8
107.07127	2.1
111.11717	2.9
113.13249	6.1
117.09136	1.9
125.13242	2.3
127.14855	3.3
133.08604	70.0
151.09695	2.4
162.31042	1.2
177.11214	25.4
193.57092	1.1
195.12317	4.1
221.13863	3.0
227.23637	1.7
239.14975	3.5
271.26385	3.2
283.14395	2.1
283.17517	32.4
315.28940	3.6
322.12317	1.3
337.29199	1.1
396.76184	1.0
421.35101	1.8
448.22443	1.1
465.37912	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	483.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17985	0.9
64.64623	0.8
78.86218	0.9
83.65784	0.8
85.02942	1.0
107.08558	1.5
111.08078	2.1
133.10138	1.7
147.11668	3.5
151.11201	1.3
175.14801	1.0
181.01076	2.6
199.02164	5.9
217.15933	3.7
270.05261	2.9
285.07574	3.0
292.03424	19.2
307.05728	100.0
308.05966	7.2
348.08582	1.3
385.07797	0.9
395.96066	0.9
401.13022	0.8
483.08960	9.3
503.18652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64301	0.4
66.43902	0.6
69.27113	1.2
69.27525	1.5
70.06582	0.7
81.03402	1.0
83.04969	0.5
102.36626	0.4
106.94705	0.5
107.80341	0.4
115.44485	0.5
139.36522	0.5
171.89713	0.5
189.05249	1.3
219.06244	2.7
227.05267	1.5
234.08620	11.1
234.11028	0.6
235.09377	11.3
235.11617	0.7
271.04166	2.4
286.79645	0.5
397.14642	4.9
421.14505	0.7
439.15729	33.2
440.16330	0.8
466.19101	1.5
483.14682	100.0
484.14951	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	483.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05378	0.4
69.03408	1.0
70.01853	1.3
70.06585	1.5
70.13632	0.4
72.04524	0.4
81.03435	0.4
85.02893	0.7
86.09699	0.5
102.03732	0.6
103.02136	0.5
109.02885	0.6
110.07203	0.7
122.52291	0.4
127.00057	0.6
129.10277	0.5
140.57208	0.5
149.07430	1.0
157.33521	0.4
167.03152	0.7
185.04201	1.0
189.05278	1.1
191.08466	2.6
219.02852	0.6
219.06299	2.3
220.03238	0.7
221.03340	0.5
227.05252	2.1
230.53009	0.5
234.08606	12.4
235.09355	11.8
254.28645	0.5
271.04211	2.9
303.13809	0.7
352.17441	0.4
397.14697	5.1
409.14236	0.6
421.14667	0.6
439.15735	35.0
440.16147	2.2
483.14691	100.0
484.15012	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	483.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71722	0.5
69.56031	1.0
69.56432	1.3
81.03416	1.1
81.07054	1.2
84.29271	0.4
85.02930	0.7
88.02201	0.6
91.05449	1.0
93.07039	0.6
95.08603	0.6
97.02881	0.6
105.07004	0.6
107.08590	0.8
109.10188	0.7
119.08573	1.0
119.40549	0.5
127.03975	0.7
128.06238	0.6
131.08553	0.9
143.08574	0.7
145.10129	0.8
147.11746	1.0
169.10138	0.7
171.11685	0.9
183.11833	0.6
185.13271	1.0
196.22774	0.6
203.67517	0.4
223.14783	0.7
235.13043	0.6
289.05008	0.6
290.86432	0.5
293.15497	0.6
311.16434	1.5
321.16901	1.1
329.17435	1.8
371.18427	2.8
389.19293	0.6
416.20612	0.5
439.23093	1.2
441.58698	0.5
483.21970	100.0
484.22195	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	483.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19375	0.3
66.68689	0.3
67.05494	0.9
69.03426	0.4
69.07056	0.7
72.41935	0.4
79.05482	0.8
81.03416	0.5
81.07069	1.0
83.04987	0.5
91.05461	0.6
93.07042	1.3
95.04984	0.5
95.08598	1.3
97.02904	0.5
105.07024	0.9
107.08604	0.7
109.02849	0.5
109.10162	0.5
111.04439	0.4
111.08089	0.3
121.02891	0.6
121.10143	0.8
127.03934	1.4
135.11696	0.5
143.95370	0.4
147.04343	0.5
185.04337	0.7
197.13223	0.4
227.05238	1.8
235.13220	0.5
235.16783	1.6
245.06363	1.3
245.77670	0.4
271.04193	0.8
285.22250	0.6
289.05219	3.9
379.20920	0.7
397.21945	4.6
421.22015	1.7
439.23074	12.5
440.23230	0.8
465.20825	3.2
483.21997	100.0
484.22287	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	483.22
Annotation	Excavatolide M
Peak:m/z	Relative Intensity
69.10894	0.5
71.17477	0.5
91.05393	0.8
95.08502	0.7
107.08482	0.7
121.02724	0.8
121.09985	1.2
121.49992	0.6
124.01237	0.5
147.04341	0.7
167.03070	0.9
184.53255	0.6
197.52011	0.6
203.05057	0.6
227.05113	1.8
235.16537	0.9
245.06157	0.8
271.04138	1.4
289.05212	4.7
379.20825	2.4
397.21976	1.3
421.21994	9.6
439.23010	3.9
451.09964	1.5
465.20923	100.0
466.21063	6.1
483.12720	2.7
483.21985	45.0
484.21945	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	483.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.05501	0.7
56.79383	0.5
67.05492	1.0
69.03418	0.7
71.04984	0.8
73.02914	0.8
73.06580	0.6
79.05470	0.5
81.03413	0.9
81.07037	1.1
85.02919	0.8
87.04461	0.6
89.06039	0.6
91.05478	1.5
93.07041	0.9
93.78614	0.4
95.04978	0.8
95.08596	1.0
97.06544	0.9
105.07048	1.0
107.08607	0.5
109.02878	0.7
111.04421	0.5
119.04978	1.0
119.08598	0.9
121.02875	2.7
121.06489	0.6
121.10124	0.4
127.01538	1.0
127.03908	1.5
131.08476	0.7
133.10141	0.5
135.08020	0.6
137.05951	0.5
143.08527	0.4
145.10121	0.7
147.04498	0.7
147.07990	0.5
159.11761	0.5
161.06035	0.4
188.57701	0.4
201.12769	0.5
203.05200	1.0
203.07040	0.5
237.07729	0.5
239.06952	2.4
265.08466	0.5
289.05206	1.2
297.07556	1.4
300.08337	0.6
308.12817	2.0
311.16440	1.1
314.68607	0.5
321.16684	0.6
329.17514	1.8
368.14890	1.9
397.21844	0.6
421.21750	0.7
439.23105	3.3
451.07864	2.7
465.21008	1.5
483.11490	14.3
483.21988	100.0
484.11060	1.2
484.22284	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	483.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19375	0.3
66.68689	0.3
67.05494	0.9
69.03426	0.4
69.07056	0.7
72.41935	0.4
79.05482	0.8
81.03416	0.5
81.07069	1.0
83.04987	0.5
91.05461	0.6
93.07042	1.3
95.04984	0.5
95.08598	1.3
97.02904	0.5
105.07024	0.9
107.08604	0.7
109.02849	0.5
109.10162	0.5
111.04439	0.4
111.08089	0.3
121.02891	0.6
121.10143	0.8
127.03934	1.4
135.11696	0.5
143.95370	0.4
147.04343	0.5
185.04337	0.7
197.13223	0.4
227.05238	1.8
235.13220	0.5
235.16783	1.6
245.06363	1.3
245.77670	0.4
271.04193	0.8
285.22250	0.6
289.05219	3.9
379.20920	0.7
397.21945	4.6
421.22015	1.7
439.23074	12.5
440.23230	0.8
465.20825	3.2
483.21997	100.0
484.22287	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	484.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99329	3.4
57.17324	3.1
57.27977	3.4
57.90784	3.4
65.03915	4.3
65.13378	3.7
69.58398	4.6
69.58750	12.6
70.06583	5.0
76.37890	4.4
85.02873	4.5
97.02899	6.2
109.02859	6.4
122.03573	3.8
125.05920	3.8
137.05969	53.3
144.95599	4.5
150.44771	3.3
151.03896	100.0
151.05002	8.4
160.07674	4.2
169.04973	10.8
176.18927	3.3
233.32512	3.6
295.07983	5.6
313.09027	5.0
325.39801	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	484.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91654	1.9
53.03939	4.6
55.01868	5.9
55.05503	5.9
57.03435	11.9
57.03893	2.1
59.04998	2.1
61.02922	6.3
65.44061	1.8
67.05495	3.6
68.99812	3.2
69.03424	80.9
69.07057	7.0
70.01493	2.1
70.06583	6.4
70.61523	2.7
70.61842	2.5
71.04984	2.8
73.02911	5.4
81.03416	23.9
81.07047	6.2
83.04970	9.2
84.08071	2.2
85.02902	100.0
85.03420	4.8
85.89509	1.7
86.09690	5.2
87.00819	44.7
87.04469	21.6
91.05453	3.5
93.07036	2.3
95.04971	3.3
95.08609	2.9
97.02892	75.3
99.04451	14.4
103.03893	3.3
104.10777	4.8
105.01866	74.0
105.07035	2.4
107.08597	3.0
109.02864	23.7
111.04420	8.5
111.08079	3.8
115.03933	27.3
121.02862	3.1
123.04442	3.2
123.08109	2.2
125.09625	6.9
127.03917	68.3
128.04182	2.2
129.05525	2.4
132.97525	2.0
133.04982	21.9
137.02301	2.2
139.03891	4.9
145.02844	2.5
145.04947	39.9
147.04416	2.6
150.07619	12.4
153.09119	2.6
158.81204	2.0
159.02866	9.9
177.05507	6.3
184.07364	4.1
189.03857	3.8
195.10170	2.9
201.11179	3.3
205.04866	3.4
213.03969	7.0
213.11226	2.6
215.05496	2.2
223.06102	4.4
229.52972	2.0
231.04991	26.0
234.11267	4.5
241.07094	9.1
249.06068	12.6
301.09070	3.5
314.52179	2.0
317.12128	2.5
327.07123	12.9
345.08023	13.2
399.48157	2.1
443.91492	2.7
484.15460	2.8
484.23505	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	484.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
53.68538	2.2
55.01862	4.7
57.03438	13.9
59.04984	2.4
60.67741	2.1
61.02919	5.9
67.05492	3.2
69.03424	82.5
69.07065	23.3
69.30653	13.0
70.06588	10.0
71.01381	2.0
71.04990	4.2
73.02914	5.3
81.03403	28.5
81.07046	4.8
83.04980	7.3
84.08167	2.5
85.02897	100.0
86.09701	7.1
87.00823	46.3
87.04447	15.8
89.49911	1.9
91.05475	3.5
93.07046	3.1
95.04996	2.3
97.02888	87.2
99.04462	16.9
102.60345	1.9
105.01864	75.0
105.07030	3.0
109.02873	28.0
109.06473	3.0
111.04451	5.4
111.08089	5.1
115.03931	32.8
117.05490	3.0
125.09622	2.4
127.03911	73.4
129.01816	4.6
129.05482	2.6
133.04965	16.4
139.03925	7.0
145.04944	49.2
147.04442	2.9
150.07631	17.0
151.03969	2.4
158.91357	2.0
159.02917	12.9
177.05426	6.0
184.59328	2.8
189.03970	4.0
205.04941	4.8
213.03922	4.8
219.24516	2.0
223.06058	6.8
231.04974	26.0
241.07050	7.6
249.06017	17.1
270.90439	2.1
273.06155	4.6
300.09061	2.3
301.08926	4.5
327.07001	15.8
345.08163	24.6
363.09210	3.2
485.16022	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	484.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05504	8.8
65.03938	2.0
67.05496	5.2
69.03429	24.3
69.07066	2.0
78.03444	8.3
79.05486	3.8
80.05032	2.2
81.03414	11.8
81.07063	6.7
83.04974	17.7
85.51131	1.2
91.05465	6.1
93.07034	5.5
95.04977	3.0
95.08598	7.2
95.28493	1.3
96.04501	3.4
97.06525	1.9
105.07022	9.4
106.02911	16.9
106.31001	1.1
107.08564	5.1
109.06497	2.0
109.10148	2.9
111.04433	29.1
117.07081	2.6
119.08570	11.0
121.10147	2.8
123.08005	1.8
124.03941	100.0
128.06192	1.7
129.06955	3.0
130.07750	1.4
131.08553	7.9
133.06526	1.3
133.10115	5.4
135.08101	1.7
135.11661	2.0
141.06955	2.1
142.07816	2.0
143.08514	5.9
145.10126	13.3
146.10542	1.3
147.08055	1.8
147.11649	2.5
155.08569	3.5
156.09349	2.2
157.10161	7.1
159.11662	8.4
161.09634	2.6
161.13254	2.2
167.71643	1.2
169.10138	3.9
171.11687	5.4
173.13220	2.9
175.14862	2.5
177.16264	1.4
180.09314	1.6
181.10074	3.4
183.11665	2.6
185.13248	4.0
187.14790	12.6
188.15134	2.0
195.11632	2.5
197.13268	4.3
199.11102	1.5
199.14873	1.5
201.12726	1.3
201.16331	2.1
205.15929	4.6
209.13277	2.9
211.14754	2.8
215.14240	3.7
221.13203	1.3
229.15829	2.7
251.17984	2.6
253.16162	1.6
269.19031	1.8
279.17355	3.1
297.18347	4.4
315.19434	2.2
328.18961	8.1
438.22684	3.8
484.23132	14.3
484.28641	1.5
485.23071	1.6
485.29343	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	484.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01817	1.1
53.03939	2.8
55.01868	2.8
55.05499	2.7
57.03426	3.6
58.06586	1.3
61.02920	3.4
64.53714	1.2
65.03944	6.0
67.05496	5.9
69.03425	10.9
69.30293	5.3
70.06580	3.0
71.04997	2.0
72.04503	2.1
72.08144	1.5
73.02927	1.6
73.28647	1.1
77.03918	1.6
79.05491	63.7
81.03405	5.2
81.07052	100.0
82.29875	1.0
84.08155	6.8
85.02905	41.7
85.03419	2.4
91.03960	2.4
91.05477	35.4
93.07040	1.4
95.01344	1.0
95.04954	3.2
95.08635	2.2
97.02885	10.8
99.04457	2.3
100.06963	1.9
100.07610	26.4
105.04533	1.4
105.07024	18.8
107.04982	1.3
107.08588	74.1
109.02848	5.3
109.06517	9.6
109.10159	4.2
110.09673	1.7
111.04423	1.3
112.11243	3.4
113.06152	1.0
119.06046	6.7
125.09621	24.7
127.03912	12.1
127.08620	1.1
129.13805	1.7
139.98996	8.9
140.03403	3.8
141.98683	5.1
145.04962	24.7
151.03909	2.1
152.18591	1.0
155.11766	3.1
158.00027	24.5
159.99754	3.7
163.06006	9.4
169.01338	3.9
170.01724	2.1
171.01840	1.1
171.14888	2.0
179.05545	1.0
181.04980	1.4
194.74278	1.1
246.63396	1.0
286.02979	1.1
302.04218	17.1
304.04028	3.2
325.11200	2.4
430.23080	1.5
448.24304	8.9
466.25455	23.3
467.25131	1.7
484.26553	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99989	1.9
53.03938	2.6
54.85501	1.9
55.01871	3.8
55.05503	4.3
59.05008	9.6
67.05493	12.3
69.03425	3.7
69.07071	4.2
70.60941	1.9
71.04992	3.0
73.02903	6.4
79.05496	7.7
80.05503	2.4
81.03428	6.2
81.07072	15.6
83.04987	3.6
84.08143	2.2
85.02922	13.2
85.06487	3.5
87.00832	4.5
87.04462	6.3
89.06027	13.1
91.05460	10.4
93.07043	14.3
95.04971	7.5
95.08614	8.7
97.02892	9.9
97.06541	4.7
99.04462	3.3
102.06784	2.2
102.16319	1.8
103.03960	10.8
103.07608	4.0
105.01851	3.0
105.07011	16.0
107.04967	3.4
107.08588	13.3
109.02882	4.7
109.06510	6.2
109.10165	2.9
111.04429	5.9
111.08114	2.4
115.05461	2.6
117.07021	3.7
119.04962	3.9
119.08565	18.2
121.02887	3.8
121.06521	5.0
121.10153	6.5
121.94042	2.1
123.08082	5.9
127.01548	2.3
127.03923	5.8
128.06223	2.5
129.07004	5.6
131.08543	11.7
133.06535	3.0
133.08609	4.4
133.10121	11.5
135.08031	13.0
139.07542	2.4
141.06995	2.8
142.07736	5.3
143.08589	9.6
145.04906	3.0
145.06476	6.0
145.10101	10.6
146.37407	2.1
147.04425	6.9
147.08058	6.6
147.11656	5.2
149.09587	5.2
153.03094	2.8
155.07036	13.5
155.08430	3.9
155.29837	1.9
155.61458	2.0
156.09348	6.1
157.10132	15.8
159.08051	5.0
159.11685	13.1
161.09653	7.6
161.13280	4.6
163.11246	2.3
165.07047	4.0
165.09186	2.1
167.08588	5.1
169.10129	7.3
169.60794	1.9
170.10895	4.3
171.08060	3.0
171.11690	19.4
173.09631	11.1
173.13199	9.1
175.11176	7.8
175.14735	2.7
177.09096	2.2
177.11308	2.0
179.08647	6.2
181.10056	9.7
183.11662	10.0
185.09605	8.4
185.13150	10.5
186.10266	3.9
187.11194	6.9
193.10144	9.7
194.10870	7.3
195.11653	8.9
197.09653	4.2
197.13245	4.2
199.11163	13.4
199.14806	2.7
200.11966	6.1
201.09113	3.1
201.12756	9.2
201.16415	8.7
203.14265	2.8
203.17958	2.9
207.11659	8.0
208.12477	8.1
209.09807	4.6
209.13252	21.3
210.10445	2.1
211.11168	4.7
213.12767	9.6
217.10095	2.6
217.12102	3.2
218.11018	2.4
219.11801	2.4
221.13339	5.3
222.10486	2.0
223.11075	5.4
223.14801	16.7
225.12869	6.0
227.14374	3.8
229.12250	2.6
232.12558	2.8
233.13306	5.4
235.11215	3.3
236.11897	6.2
237.12741	2.7
237.16428	4.5
241.15819	4.5
247.14862	2.9
250.13445	4.6
251.14311	23.4
265.15814	13.9
269.15359	14.8
283.16846	9.6
285.14920	2.1
287.16397	5.5
293.15329	12.1
297.07565	3.1
301.17862	4.3
311.16412	75.8
312.16592	2.6
312.74173	1.9
329.17462	100.0
330.17969	3.1
347.18585	5.4
371.18527	4.6
389.19516	9.3
441.20932	5.8
449.21646	13.3
452.07956	2.6
466.24805	3.7
484.10562	9.1
484.24609	16.3
485.19675	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	484.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25616	1.0
53.03927	1.4
55.05505	4.4
55.15566	1.0
57.03432	1.3
57.07074	1.4
67.05506	7.9
69.03420	3.7
69.07044	3.7
71.42933	1.4
79.05494	6.0
81.03419	1.3
81.07054	9.4
83.04984	3.1
85.02895	1.6
91.05468	7.2
93.07032	12.4
95.04974	7.3
95.08594	13.1
97.02903	3.7
97.06546	7.1
98.59818	1.1
99.04460	2.3
105.07023	12.5
107.04941	1.2
107.08580	8.7
109.06505	4.0
109.10162	2.8
111.04456	2.5
115.05425	1.2
117.07015	4.2
119.08569	10.7
121.06477	2.8
121.10151	6.1
123.08085	2.1
123.11684	2.5
124.03971	3.7
125.02347	3.3
125.05964	2.8
128.06221	2.3
129.07014	4.3
131.08546	12.8
133.06567	1.8
133.10120	10.1
135.08063	5.1
135.11681	2.2
137.05917	1.6
141.06963	2.2
142.07768	3.7
143.03409	4.5
143.08588	6.1
145.10110	12.6
147.08035	2.9
147.11694	5.6
149.05876	1.9
149.09634	6.8
149.13260	4.3
151.07584	1.6
153.07008	2.0
155.08537	4.0
156.09341	8.3
157.04976	4.3
157.10129	11.3
158.10928	2.2
159.08022	4.2
159.11684	18.7
160.08749	1.2
161.09557	2.4
161.13293	1.4
165.07013	2.4
166.07722	1.4
167.08553	3.6
168.09375	1.3
169.04976	1.4
169.10159	7.3
170.10925	7.2
171.08017	1.4
171.11662	14.6
172.08818	1.9
172.12331	1.4
173.09612	6.7
173.13269	10.6
175.11133	2.9
177.12769	5.1
179.08545	3.5
180.09280	1.9
181.10146	8.9
182.11006	2.5
183.08003	1.3
183.11671	5.4
185.09616	4.0
185.13246	8.4
186.10448	1.4
186.13986	1.5
187.11195	4.5
187.14777	11.6
188.11967	1.5
192.09357	1.9
193.10117	7.1
194.05486	1.2
194.10887	4.1
195.11659	7.9
195.13345	1.3
196.12421	4.6
197.08044	2.2
197.13223	6.1
198.14030	2.8
199.11215	3.7
199.14885	3.1
201.09120	3.2
201.12726	2.5
201.16408	2.0
203.10870	1.2
205.10153	2.4
205.15858	2.5
206.10869	3.0
207.11685	8.9
208.12457	4.7
209.09581	2.3
209.13197	5.3
211.11287	1.5
211.14799	20.7
212.15343	1.4
213.16406	2.1
215.14310	4.3
217.10126	2.6
219.11786	1.3
221.13245	20.3
222.13969	2.7
223.11194	3.0
223.14812	3.0
225.12743	2.9
225.16446	2.3
226.13449	2.6
227.10724	2.4
227.14288	1.9
229.15837	7.3
229.29364	1.3
231.17418	2.2
232.12500	2.0
233.09708	1.9
233.13341	1.8
235.14813	2.2
236.15598	17.8
237.11031	5.7
237.16321	5.5
241.12204	1.9
241.15909	2.4
247.09605	3.3
247.14830	2.9
251.10657	9.0
251.14386	2.8
254.16560	3.2
255.17395	3.2
265.15829	3.9
267.13837	1.3
269.15189	1.9
273.11185	3.2
275.14230	3.3
278.13037	2.8
283.16849	6.4
287.12970	1.6
287.16321	3.1
293.15332	25.1
301.14349	4.1
301.17963	3.0
303.15848	6.3
311.16440	8.1
319.18988	6.2
329.17429	100.0
330.17786	4.6
347.18497	33.8
351.81247	1.3
389.19556	47.4
390.19809	2.6
484.20416	1.6
484.27502	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	484.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67445	3.6
54.03421	3.7
55.05513	8.0
57.03440	4.6
57.07076	4.2
59.04974	6.1
64.92461	3.9
64.94041	3.7
67.05508	12.8
69.03426	9.2
69.07066	9.2
70.04077	12.1
70.07220	14.4
71.28205	3.8
79.05491	16.0
81.03415	51.4
81.07055	15.0
83.04989	13.8
85.02892	6.2
85.06534	5.0
91.05477	20.1
91.49509	4.5
93.07059	28.7
95.04965	8.2
95.08604	20.4
97.02892	14.3
97.06531	12.7
102.29360	4.0
105.07027	24.6
107.04977	4.5
107.08584	24.8
109.06525	12.2
109.10158	13.6
111.08137	6.2
117.06998	7.9
119.08575	52.6
120.08935	4.8
121.02892	6.2
121.06510	9.0
121.10121	21.7
123.08038	6.9
124.03952	6.5
125.05971	5.0
127.03905	27.8
129.07004	10.9
131.08577	19.5
133.06497	4.9
133.10144	31.2
135.08040	16.7
135.11719	6.1
137.09599	10.3
137.13246	4.5
141.07008	7.2
142.07819	9.4
143.08589	26.1
145.10110	33.2
147.08075	8.8
147.11693	17.7
149.09631	17.2
155.08571	17.8
156.09352	18.3
157.06427	5.1
157.10104	45.6
159.08022	9.5
159.11682	35.7
161.09648	20.4
161.13264	17.2
163.07573	10.5
163.11249	5.0
165.09146	8.9
165.12874	8.2
169.10185	18.9
170.10898	25.6
171.08038	7.2
171.11699	42.6
173.09619	18.9
173.13255	23.5
175.11217	12.9
175.14851	18.9
176.82227	4.3
177.12781	7.1
179.08565	7.5
181.10117	17.6
183.11668	30.2
184.12387	9.1
185.09612	15.3
185.13229	51.3
187.11183	17.7
187.14836	13.2
189.09128	9.5
189.12656	22.2
193.08594	5.4
193.10172	16.3
194.10973	7.9
195.11650	23.1
197.09612	6.8
197.13284	17.4
199.11192	18.2
199.14792	34.8
201.12746	10.3
201.16367	7.8
203.10733	6.0
203.14297	63.5
206.10838	7.0
207.11722	24.7
208.12466	17.3
209.13300	28.9
210.10367	6.9
211.11224	9.4
211.14853	10.1
213.09158	8.4
213.12711	12.8
215.07288	4.6
215.10657	7.0
215.14348	13.5
217.12277	5.7
217.15927	10.2
221.13266	16.6
221.15387	21.4
222.14017	6.7
223.11249	5.2
223.14775	42.7
225.12700	9.8
227.10780	8.6
227.14258	20.9
229.15897	9.1
231.10208	12.4
231.13815	11.9
237.16415	15.7
239.14281	12.6
241.15805	20.8
243.13792	4.8
245.15302	20.4
249.11104	5.7
251.14420	12.3
255.17412	7.8
259.16934	7.3
265.15897	16.5
267.13815	15.7
269.15396	24.5
273.14838	13.7
273.18326	5.8
283.16907	53.7
285.15015	9.1
287.16406	29.0
293.15338	8.2
301.17960	43.1
305.17422	25.9
308.15341	10.3
311.16324	36.2
319.19110	12.2
320.71866	5.2
328.32196	5.0
329.17401	100.0
347.18536	73.3
365.19473	11.3
371.18478	5.4
389.19461	19.6
407.20618	8.8
467.17044	5.9
484.25308	8.8
485.18149	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	484.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37878	1.4
55.05507	4.2
65.03872	1.3
65.89139	1.5
67.05497	9.9
67.46952	1.3
69.03429	100.0
69.07076	2.7
69.94588	2.3
69.94913	3.0
71.61520	1.2
73.13319	1.3
79.05500	4.2
79.27890	1.3
80.05016	2.2
81.07062	5.9
83.04976	5.5
88.77634	1.6
91.05482	4.0
93.07053	5.0
95.08617	7.6
96.04493	1.4
102.69694	1.3
105.07037	7.5
106.02943	1.6
106.36381	1.5
107.08600	3.3
109.10162	4.1
113.06001	83.7
117.07018	2.2
119.08568	9.0
121.10144	4.6
123.08061	2.1
124.03951	92.4
129.07063	1.7
131.08580	5.3
133.10167	4.1
142.07768	2.9
143.08531	5.6
145.10143	7.9
155.08592	2.7
156.09352	2.0
157.10139	6.3
159.11716	5.9
167.08606	1.7
169.10104	3.3
171.11671	7.3
173.13216	4.0
179.08527	1.9
181.10071	2.5
183.11736	5.5
185.13281	5.1
187.14851	6.0
189.16441	2.6
193.10245	1.8
195.11682	5.0
196.12360	1.9
197.13283	4.4
201.12822	1.8
207.11836	2.5
209.13232	2.8
211.14864	2.6
213.16388	10.7
215.18130	1.7
223.14851	4.6
227.14214	1.5
231.13818	1.9
237.16408	2.5
239.18028	3.0
250.17223	1.6
255.17447	2.5
265.19485	4.0
283.20502	13.0
301.21722	6.5
312.19571	5.8
424.24792	5.7
425.26501	9.2
485.28726	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	484.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
57.07073	27.3
60.45704	1.2
62.81177	1.2
66.05364	1.3
69.07066	1.6
71.08627	28.3
71.43880	1.8
73.06551	5.2
83.08601	3.8
85.10178	28.4
87.04454	2.8
89.06023	100.0
97.10129	1.4
99.11700	2.7
107.07046	3.5
117.09119	4.3
124.03977	1.5
130.08606	1.5
133.07581	2.8
133.08594	52.5
141.16380	5.3
161.13174	1.3
177.11218	18.7
185.18982	6.4
221.13820	2.2
229.21608	8.3
239.14775	2.0
243.20020	1.3
273.24185	7.0
283.17447	1.5
327.20074	9.5
423.32956	2.1
467.35736	12.5
484.23849	13.6
485.18155	2.4
485.25003	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.5
57.07067	18.5
57.75310	1.2
58.06615	1.6
62.14627	0.9
67.05510	2.5
69.07077	2.9
69.17685	6.1
70.06591	16.3
70.59471	1.0
71.08622	10.0
73.02918	2.0
81.07051	3.4
83.08650	1.7
85.10188	4.3
88.07619	24.3
95.08604	3.4
97.10133	1.2
102.09179	14.8
103.16044	1.0
106.08701	1.0
109.10133	1.1
115.72882	1.2
138.17126	1.0
218.85406	1.0
228.23203	42.6
228.25491	2.2
229.23595	1.4
246.24295	3.8
255.23184	16.0
256.26285	11.1
283.26288	48.0
284.26685	1.5
484.31625	2.9
484.47205	100.0
485.47665	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	484.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
53.26108	0.5
55.05499	1.9
57.07071	19.4
58.06582	2.0
65.76334	0.5
67.05499	2.7
67.44096	0.5
69.07053	2.7
69.60500	1.6
70.06588	16.3
71.08632	8.4
73.02902	1.2
74.06042	0.6
81.07072	3.1
83.08615	1.7
85.10168	3.9
88.07624	20.5
93.07053	0.5
95.08573	3.6
97.10146	1.7
98.23384	0.8
102.09168	15.4
106.08636	0.9
109.10120	1.5
114.07305	0.5
126.35158	0.6
200.20078	12.8
218.21162	1.6
228.23199	40.2
229.23558	1.0
239.67383	0.5
246.24333	3.4
255.23117	3.5
256.26276	2.7
283.26285	38.8
284.26511	0.8
311.29373	14.1
411.34628	0.6
484.47211	100.0
485.47427	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	485.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96625	2.4
56.66908	2.8
56.96563	4.0
63.01359	2.8
70.06588	7.5
70.77792	2.4
71.40727	2.7
78.60697	2.7
81.03450	4.0
82.94643	2.9
83.18101	2.6
85.02908	2.5
87.52061	2.5
96.69611	2.7
112.76335	2.8
119.08636	3.5
130.09727	3.4
131.04955	4.1
147.04350	3.5
166.20038	3.1
185.28763	3.3
263.03159	5.9
291.02652	40.3
299.02206	3.9
309.00751	4.4
309.03772	42.0
327.01556	17.4
345.02789	100.0
363.03882	16.4
369.02869	6.2
387.04050	4.3
397.02264	3.3
409.98785	3.1
428.05530	2.9
431.98401	3.5
485.04688	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	485.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47663	0.6
69.34992	3.2
70.06580	1.0
86.09707	0.8
93.57958	0.5
107.90366	0.5
161.68985	0.5
248.82253	0.6
339.10660	2.7
485.16293	100.0
486.16864	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	485.1631
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
52.44051	0.3
60.04066	0.2
71.39743	0.4
73.68544	0.3
102.62521	0.3
104.99277	1.1
116.99251	0.4
120.96655	3.2
137.06020	0.6
142.94830	0.6
146.99580	0.3
150.97693	1.0
159.05098	0.5
164.93071	0.4
180.98764	0.9
185.04205	0.3
191.04187	0.7
195.05022	0.8
202.97015	0.5
203.05286	0.7
207.01460	1.3
207.30121	0.3
212.79724	0.3
219.08359	1.2
220.96825	0.7
235.05687	1.3
237.06062	0.5
241.00934	0.9
264.69333	0.3
269.00314	0.9
279.07062	0.3
291.07141	0.3
295.28915	0.4
339.03235	0.5
339.09854	3.2
346.69327	0.3
357.10318	0.7
365.10529	2.2
403.05893	2.3
443.20181	0.3
485.16281	100.0
486.16730	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	485.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45174	0.5
53.03947	0.6
54.26474	0.6
55.05512	1.0
57.03431	3.9
69.03423	2.2
71.01321	0.6
71.04993	21.7
73.02871	0.6
75.04468	0.8
78.04706	0.6
81.03402	2.4
83.04967	1.7
85.02901	29.0
85.03413	1.6
87.04468	0.7
89.03909	9.6
91.05470	0.9
97.02862	0.9
99.04408	0.8
103.05449	0.7
109.02847	1.0
111.04398	0.9
117.03369	28.0
117.04201	1.5
119.04913	0.8
127.03883	1.5
129.05460	6.7
131.04897	1.2
134.03632	1.2
135.04416	1.2
137.05997	3.4
145.02838	55.2
146.03139	1.2
147.06468	1.1
149.05978	8.3
163.03935	0.7
163.74159	0.7
177.05461	100.0
178.05832	2.5
179.07082	1.6
203.07089	1.0
212.49382	0.8
217.08464	0.7
259.09625	0.8
287.09085	0.8
321.09634	4.5
339.10916	0.9
451.35544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01872	0.8
55.05500	1.3
57.03441	7.2
59.05011	0.8
67.05476	0.7
69.03429	3.6
69.05194	0.7
71.01353	1.1
71.04995	37.3
73.02924	1.2
75.04475	2.1
81.03423	1.6
83.04967	2.8
85.02906	46.8
87.04449	1.8
89.03910	7.1
97.02899	6.2
99.04440	1.9
111.04452	2.5
117.03372	16.7
127.03926	3.1
129.05481	8.7
131.04913	0.8
134.03613	1.2
135.04430	0.9
137.05998	6.6
145.02847	42.6
146.03209	1.2
147.06534	1.2
149.05968	5.4
169.05098	0.7
173.58797	0.8
175.07565	1.2
177.05470	100.0
178.05779	2.2
179.07076	4.0
191.07062	1.5
195.06500	2.1
205.05026	1.4
231.06480	1.0
233.08054	1.1
243.25725	0.7
247.31155	0.7
259.09668	1.0
279.08295	0.8
287.09106	3.9
305.10022	1.1
321.09631	1.8
323.11203	2.2
339.10773	5.1
450.94751	0.7
485.16675	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	485.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
57.03436	3.8
63.02367	0.8
64.10031	0.9
65.54179	1.0
69.03437	2.3
70.06596	1.2
71.04992	21.9
71.42882	0.9
75.04488	1.3
81.03423	3.9
81.60704	0.9
83.04984	1.3
85.02903	30.0
87.04471	1.0
89.03931	9.4
91.05482	1.2
93.07050	1.0
95.08588	1.0
96.57794	0.8
97.02911	1.4
99.04463	1.4
103.05422	0.9
103.27488	0.9
107.04930	1.0
109.02905	2.1
111.04465	1.8
117.03380	24.5
127.03919	1.7
129.05498	5.9
131.04951	3.6
134.03673	1.2
137.06018	3.5
144.02177	1.1
145.02847	56.6
146.03166	1.0
149.05991	8.1
164.36632	0.9
170.86334	1.0
175.07481	1.1
175.36423	0.9
177.05467	100.0
178.05779	2.8
179.07089	2.2
181.04942	5.3
210.70192	1.0
225.02637	1.0
237.14888	1.1
259.09891	1.1
263.03168	1.2
287.09253	2.4
291.02658	4.4
309.03922	4.5
321.09622	4.5
327.01691	2.7
339.10626	1.6
345.02817	7.6
349.93576	1.0
363.03964	1.3
415.01785	0.9
485.10516	5.2
485.16928	1.1
486.78360	1.0
486.85703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45718	0.7
53.03951	1.2
55.05509	1.7
57.03434	6.7
59.04974	0.8
62.06097	0.8
69.03432	2.6
69.49860	3.7
71.01370	0.9
71.04993	34.2
73.02920	1.7
74.83976	0.8
75.04482	2.3
81.03421	1.9
83.04989	2.6
83.18891	0.7
85.02903	45.1
87.04482	1.4
89.03909	6.3
91.05491	0.9
97.02879	5.2
99.04469	2.2
99.89956	0.8
109.02850	1.4
111.04449	2.9
117.03388	17.6
122.03655	1.1
127.03936	2.5
129.05475	10.7
131.04913	1.4
134.03679	1.3
137.05986	8.1
145.02849	41.0
146.03214	0.7
149.05959	6.2
163.07529	0.9
163.65573	0.7
177.05466	100.0
178.05847	1.5
179.07011	5.4
187.07605	1.2
191.07048	1.3
195.18298	0.8
199.07443	1.0
205.04935	1.8
231.06589	1.3
240.22382	0.8
245.07935	1.2
269.08228	0.9
287.09192	2.7
299.09790	0.7
305.10291	1.9
320.52164	0.8
321.09802	3.0
339.10748	5.6
345.02682	1.7
418.84235	0.8
485.16580	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	485.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
55.01855	1.7
56.05018	2.6
56.06604	0.8
65.03942	1.1
67.05498	2.9
68.05028	1.7
68.99778	1.0
79.05106	0.9
79.05473	5.2
81.03442	1.1
81.07057	5.0
81.07454	0.8
84.04499	38.7
85.02895	7.6
86.06049	7.9
89.06043	1.2
91.05467	12.8
93.03403	1.2
95.04937	3.0
95.08589	3.6
96.04507	1.2
96.08113	1.5
97.06513	2.7
97.56651	0.7
98.22695	2.1
101.07138	6.4
102.05503	3.2
105.07012	5.7
106.06544	1.1
107.04939	6.3
107.08543	1.4
108.04409	0.9
109.06506	1.3
110.05988	0.8
111.04390	1.2
112.03972	0.8
113.02308	1.1
114.05522	3.9
117.06979	1.7
119.04934	20.7
119.08559	1.6
121.02827	3.0
121.06483	3.7
122.06046	1.5
122.09664	0.9
123.08026	3.8
124.03945	2.4
124.07554	4.5
126.41697	1.0
128.03413	3.2
129.06607	1.0
130.04994	40.6
131.08479	0.9
133.02856	1.0
133.06493	2.2
133.08578	1.1
134.05980	2.3
134.09642	2.0
135.07990	1.3
137.05989	1.6
139.03955	1.6
142.04993	3.4
145.06319	1.9
147.04398	100.0
147.07619	10.7
148.04749	1.6
148.07547	1.2
149.02306	4.0
149.05952	3.2
150.09122	2.1
157.06108	2.6
160.07416	1.1
161.13249	1.9
162.09091	4.5
164.10670	1.7
165.09053	1.6
166.04976	2.0
166.08693	2.5
167.03377	3.2
168.06564	1.3
171.08105	1.2
173.05946	2.1
174.09143	2.0
175.07544	3.5
176.07033	1.3
176.10643	1.4
177.05469	4.8
180.10179	1.8
182.04477	1.7
188.10733	1.6
190.08665	6.8
191.07010	10.8
193.08617	1.4
194.08099	2.0
200.07161	1.3
201.05470	2.1
202.08606	1.2
204.10222	1.7
206.71135	1.1
207.11264	1.1
208.09683	13.0
209.08093	10.5
210.11165	6.3
214.08699	1.2
216.10176	2.5
218.08109	3.5
219.06505	7.8
220.09740	1.8
221.08183	0.9
225.12276	1.2
227.13841	4.1
230.05484	2.2
231.06319	3.3
232.09595	1.4
236.09154	20.1
237.07521	3.6
244.09647	2.6
246.11240	3.0
250.10704	2.2
253.11874	3.6
256.09705	2.9
260.09180	3.0
269.08163	1.6
274.10706	4.6
276.12265	1.2
278.10281	1.2
284.09186	3.0
292.11588	1.8
302.10339	4.5
306.09473	1.1
309.03549	2.0
311.12717	7.0
311.15927	1.4
319.12738	2.3
320.11194	5.3
321.14575	1.3
329.11523	1.3
330.09747	2.2
337.13773	1.9
338.13605	1.1
339.12061	2.4
339.15411	5.1
347.12360	7.3
348.10794	10.6
356.14691	1.4
365.13412	83.6
366.13696	3.8
443.18225	1.1
467.18005	5.0
485.12378	4.3
485.19113	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	485.1996
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
58.55046	0.4
66.63864	0.4
69.09455	2.4
85.02843	0.4
93.79900	0.4
96.61154	0.4
96.84505	0.5
98.22688	0.7
101.57639	0.4
147.04471	0.5
151.35617	0.4
167.03291	0.4
174.68675	0.5
177.05403	0.5
220.75804	0.5
230.05595	0.9
231.06287	1.0
237.14606	3.9
259.48346	0.5
271.04294	0.9
312.16733	0.6
344.24316	0.5
381.18790	1.0
399.19803	3.7
441.20926	36.9
442.21396	1.7
485.19894	100.0
486.20230	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	485.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57339	0.2
57.76287	0.3
59.04993	0.2
68.36205	0.3
68.57013	0.2
69.03394	0.4
69.16730	0.5
69.17136	1.0
73.02885	0.3
79.05448	0.3
89.06009	0.6
95.85199	0.3
97.02841	0.3
103.07553	0.3
115.78002	0.3
133.08598	0.3
167.03206	0.3
175.46851	0.3
185.04230	0.4
187.07539	0.3
237.14705	3.6
255.14430	0.5
271.04184	1.6
296.44702	0.3
314.50278	0.3
381.18661	0.6
399.19885	4.3
441.20956	38.3
442.21240	1.6
467.18265	0.8
485.19916	100.0
486.20328	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	485.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12926	1.3
51.70634	1.5
53.03936	2.3
55.05510	13.7
57.07066	1.6
65.03918	1.9
67.05509	12.0
69.03059	3.0
69.03426	47.4
69.07066	3.8
71.04958	1.2
71.43045	2.0
72.89119	1.5
79.05481	10.0
81.03417	22.1
81.07050	9.1
83.04975	37.3
83.05435	2.7
91.05476	19.2
93.07030	9.3
95.04969	10.1
95.08578	7.6
97.06526	2.5
103.05463	3.4
105.07024	21.8
107.04964	2.1
107.08585	10.9
109.06516	6.5
109.10150	1.4
111.03665	3.6
111.04439	71.0
115.05485	2.6
117.07008	17.8
119.04954	2.3
119.08571	22.2
121.06494	4.2
121.10125	1.8
123.08053	1.8
124.03958	4.3
128.06236	4.9
129.06989	10.1
130.07784	3.3
131.08557	39.6
132.08942	2.0
133.06480	2.5
133.10149	6.0
135.08090	3.4
141.06998	4.1
142.07797	6.7
143.08559	15.4
144.09343	2.3
145.06473	2.6
145.08983	1.7
145.10120	34.0
146.70990	1.3
147.08031	4.7
147.11743	4.9
149.09616	2.8
152.06212	1.6
153.07011	2.0
155.08534	10.6
156.09346	5.3
157.10147	15.0
158.10895	4.6
159.08093	5.4
159.11626	12.7
161.09604	5.6
161.13245	2.3
163.11208	1.9
165.06970	2.7
165.09100	3.0
166.07817	2.7
167.08597	5.2
168.09319	4.5
169.10107	8.5
171.08122	2.1
171.11671	13.9
173.09676	5.5
173.13243	69.0
174.13637	3.8
175.11243	4.2
175.14796	1.5
177.12885	1.7
179.08565	4.4
180.09344	2.1
181.10167	5.7
183.11647	12.4
185.13277	5.0
187.14801	2.1
189.12740	9.5
191.10681	4.6
191.14325	5.1
193.10201	4.6
194.11003	2.3
195.08035	3.2
195.11703	4.5
197.09625	2.4
197.13277	4.4
199.11267	6.2
201.08994	1.5
201.12733	17.3
203.14287	1.9
205.10168	2.7
206.10992	1.9
207.11766	3.4
208.12401	1.5
209.09659	2.6
209.13242	2.4
213.12636	1.4
217.10262	2.1
219.11723	1.5
219.13760	22.1
221.13292	4.2
223.11073	2.9
229.12332	3.1
232.12437	1.9
233.13298	1.9
237.12715	2.5
237.16524	2.2
239.13974	1.5
241.12231	2.6
247.13431	6.0
253.15858	1.6
256.48340	1.6
265.15881	5.2
281.15515	2.2
283.17053	4.0
293.15555	1.9
301.17999	2.0
311.16406	7.6
315.19644	3.4
316.19766	10.2
323.16205	5.3
329.17584	7.4
347.18607	5.5
384.50690	1.6
389.19550	100.0
390.19919	4.7
403.21149	2.8
411.17886	6.0
467.16965	3.3
467.28433	2.9
485.21524	87.4
485.28461	6.4
486.21683	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	485.2508
Annotation	Arg Tyr Phe
Peak:m/z	Relative Intensity
57.07069	0.4
64.37690	0.2
67.05499	0.3
69.25395	1.2
81.07047	0.7
83.05003	0.2
87.04480	0.3
89.06026	0.7
91.05453	0.5
93.07051	0.5
95.08596	0.4
96.08830	0.3
99.75278	0.2
105.07029	2.3
106.07404	0.3
107.08575	0.4
115.84587	0.2
117.07053	0.2
118.66817	0.2
119.08586	0.6
121.06503	0.2
121.10161	0.2
123.11724	0.3
131.08549	0.4
133.08629	0.6
133.10167	0.5
143.08582	0.3
147.08038	0.3
155.08540	0.3
157.10162	0.3
159.11696	0.4
164.96852	0.2
171.11713	0.3
210.08049	0.3
337.17685	0.4
355.18805	0.5
397.19727	1.1
425.22650	0.3
485.25079	100.0
486.25418	5.9
500.34424	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	485.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26181	6.0
81.07063	3.8
95.08628	3.1
108.15018	2.5
119.08617	4.2
119.36220	2.5
124.03952	24.1
130.06479	2.3
140.55461	2.5
147.11729	2.9
155.95689	2.8
169.77739	2.5
186.13402	3.3
211.79697	2.8
285.11438	3.0
448.06369	2.5
485.26627	100.0
486.27045	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	486.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.01865	3.2
57.03437	2.1
65.61214	0.7
67.05504	1.4
69.03425	4.8
69.07064	1.1
70.06586	13.2
70.43552	1.8
71.04979	3.3
72.08147	3.6
73.02911	2.4
74.06035	0.7
81.03416	19.4
84.04500	1.5
84.08137	3.3
85.02905	5.4
86.09702	7.8
88.24394	0.6
97.02892	33.9
99.04457	16.7
109.02874	100.0
109.10130	1.1
110.03208	1.5
110.07198	0.8
127.03905	25.5
127.08688	1.1
129.10220	1.2
143.11792	1.3
145.04951	16.2
168.94919	1.0
169.04955	1.8
187.05997	3.3
199.03918	0.8
205.07063	37.4
229.07018	4.6
247.08136	3.6
264.56662	0.8
425.87286	0.8
450.19019	0.8
456.10434	0.7
468.18716	1.0
486.16345	3.8
486.29794	6.3
486.79810	1.6
487.11902	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	486.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33627	0.2
53.03949	0.3
55.01863	0.5
55.05511	0.6
57.03436	1.2
57.07073	0.7
58.04218	0.4
61.02920	1.2
63.00028	0.4
69.03424	5.0
69.07060	1.3
69.25906	1.1
70.04072	100.0
71.04404	0.6
71.04985	0.6
73.02901	1.2
73.06564	0.7
79.05513	0.3
81.07052	0.8
83.04919	0.2
84.05614	1.8
85.02900	12.9
87.04462	3.2
89.06035	1.6
91.03939	0.3
91.05466	0.4
95.08582	0.3
97.02883	3.6
99.04452	0.8
100.05107	0.5
103.05463	0.3
107.08530	0.2
109.02867	1.6
109.26802	0.2
115.05470	0.5
116.06229	0.6
121.02861	0.4
121.04585	0.5
121.06570	0.3
124.03957	1.0
125.01537	14.5
127.01552	1.4
127.03889	2.3
128.06206	0.6
129.06963	0.8
130.07793	0.4
133.08618	0.6
138.05513	0.2
139.01521	0.3
139.03094	2.2
141.00995	0.4
142.07776	0.6
143.08585	0.6
144.09329	0.9
145.04947	1.2
149.06036	0.3
151.03076	10.0
153.03113	1.2
153.04602	0.3
156.09326	0.4
163.03062	2.2
165.04662	3.4
165.06984	0.3
165.57309	0.3
177.04672	1.6
177.11270	0.3
179.06210	4.2
180.67538	0.2
181.04149	0.8
183.56682	0.2
191.06197	0.2
193.07782	0.3
197.05733	0.5
207.09395	0.8
208.89488	0.2
219.09340	0.9
237.10352	0.5
276.12592	2.9
288.12558	0.8
306.13660	11.0
307.13983	0.5
324.14682	62.9
325.14938	2.6
426.71481	0.2
468.18018	0.5
486.19849	4.6
486.26431	0.4
487.19644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77338	3.0
53.03952	5.6
55.01865	9.0
55.05507	3.5
57.03452	6.1
63.87145	2.7
67.05517	4.3
69.03410	15.8
70.06596	10.8
71.05006	5.9
71.74026	2.8
72.08150	6.0
73.02910	3.8
79.05490	7.0
81.03417	26.4
81.07056	5.3
83.04992	6.0
84.04493	4.7
84.08141	5.2
85.02892	10.3
86.09716	7.2
88.02209	16.9
88.03954	3.3
91.05483	7.6
93.07048	5.8
93.22556	2.6
95.04990	4.5
95.08566	6.2
97.02883	30.7
98.97610	3.3
99.04457	25.9
105.07040	10.7
107.08588	13.5
109.02885	59.0
109.06591	3.3
109.10169	3.0
111.04452	22.7
112.02169	3.9
114.03786	3.3
115.03911	3.4
116.01675	11.1
117.07034	3.3
119.08623	8.2
121.10158	3.8
127.03914	69.1
129.06987	3.4
129.10199	3.7
131.08563	4.3
133.06448	3.8
133.10158	6.0
139.03896	5.0
142.07813	2.9
143.08470	3.7
145.04951	12.6
145.10136	8.0
146.02689	4.3
157.10152	10.9
159.11728	8.1
162.02167	3.1
163.11275	7.2
169.10016	3.9
171.11699	5.7
172.04204	3.6
175.11371	2.7
181.10075	3.3
183.11757	4.4
186.05869	7.2
187.06033	22.6
187.10951	4.7
205.07086	29.9
211.11150	4.1
229.07043	8.5
247.08028	14.4
255.13571	3.4
273.02975	3.0
273.14941	15.4
281.47049	3.0
290.90991	3.5
291.15979	6.7
386.17737	3.9
388.59064	3.5
414.17349	11.4
432.18414	76.0
433.18585	4.2
450.19434	100.0
451.20184	3.4
468.20480	10.7
487.14328	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	486.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32931	1.8
53.03934	5.2
55.01861	4.4
55.05489	2.1
57.03432	15.4
59.05015	3.8
60.04534	2.2
61.02922	7.6
68.08279	1.9
68.99783	1.9
69.03429	77.5
69.03806	4.9
69.85041	1.8
70.06595	3.1
70.28233	4.4
71.04978	4.2
72.08157	5.6
73.02916	4.1
79.05517	2.3
81.03410	27.4
81.07038	2.3
83.04980	5.8
84.04501	4.1
84.08118	4.1
85.02901	100.0
86.09689	11.5
87.00827	44.3
87.04473	16.8
91.05477	4.2
92.94602	1.9
95.04968	4.3
97.02261	3.4
97.02888	63.7
99.04446	15.8
105.01864	69.3
107.04915	3.6
109.02873	28.0
111.04408	4.7
115.03928	26.6
117.01844	2.3
119.04942	2.7
121.02875	3.7
123.04430	3.0
123.52151	1.8
125.02370	3.7
127.03906	83.5
129.01846	4.4
129.10208	3.0
133.04976	15.1
138.05508	14.6
139.03903	9.6
144.06558	3.2
145.04932	29.6
145.12393	1.9
147.04364	3.6
149.02295	2.2
150.07637	17.7
151.04036	2.0
159.02869	9.6
160.05066	5.3
161.09189	4.0
163.03972	2.9
163.07547	7.3
167.70523	2.1
177.05522	5.0
181.04932	3.9
181.08560	21.7
185.16541	2.3
189.03922	5.1
192.07648	4.0
197.14600	2.1
205.04892	2.5
205.08539	2.0
213.04077	2.4
213.15965	2.3
231.04990	32.2
238.10796	7.0
241.07097	7.6
247.09824	2.8
249.06029	9.8
255.06407	2.2
274.17606	2.3
284.10083	2.9
293.39505	2.2
301.09094	2.9
301.12790	2.3
310.04007	4.9
319.13718	3.2
327.07043	7.8
345.08124	11.6
435.66348	2.4
446.51312	2.3
486.07071	3.0
487.21603	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	486.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
57.03431	3.2
61.02922	3.8
65.88871	0.6
67.05492	1.7
69.03428	7.4
71.04990	1.0
71.08629	25.9
71.41853	0.6
71.46325	0.8
73.02917	1.6
81.03419	4.6
81.07040	0.7
85.02901	51.8
87.04484	0.9
91.03944	2.7
97.02884	11.7
99.04439	2.2
99.08089	33.4
100.19446	0.7
109.02834	3.3
109.10125	1.3
127.03914	12.4
127.10233	1.3
127.11185	28.3
145.04947	22.4
145.12227	100.0
146.12523	1.1
163.06006	10.0
177.00537	0.7
180.48860	0.7
185.56714	0.8
310.03912	1.1
325.11154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53993	0.3
67.15937	0.3
70.06586	0.5
70.53316	0.8
72.08147	0.6
85.02891	0.4
96.04498	1.4
98.00626	0.4
100.07617	0.4
111.79338	0.4
112.02185	1.9
140.01660	4.7
159.00995	0.3
163.03859	1.5
168.01120	0.5
197.03722	0.5
211.03772	0.4
215.04921	0.8
235.16133	0.3
243.04343	2.8
259.23660	0.4
274.72891	0.4
384.06564	0.5
487.14206	100.0
488.14716	4.2
488.29636	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05143	0.3
51.07505	0.2
54.82477	0.3
70.52181	0.4
70.52516	0.4
77.03914	0.4
80.01359	0.4
91.05508	0.4
95.04950	0.5
98.23391	0.4
103.05460	5.9
115.05441	0.5
117.07015	0.3
118.06529	5.1
118.80915	0.3
124.00305	0.6
128.04956	1.0
130.06514	100.0
131.04918	12.2
131.06851	2.0
132.05202	0.5
132.08075	0.4
140.03473	0.4
142.06541	0.7
143.07251	0.4
144.08075	5.6
146.05989	9.7
154.01341	0.8
154.06525	1.6
154.07593	0.3
156.06787	1.9
159.09142	0.6
166.06598	0.8
167.05981	0.3
170.06026	1.9
174.05481	1.3
175.99847	0.5
178.01297	1.6
181.07613	2.8
182.00829	1.8
182.06032	1.8
184.07576	0.6
185.07086	2.1
188.07051	5.7
188.08693	0.5
190.01309	0.8
193.07614	1.3
194.00833	3.6
194.05978	4.9
205.07581	0.4
206.00746	0.3
207.02856	0.4
208.02383	0.3
209.07080	3.9
210.05478	5.0
213.06633	0.5
219.05507	2.9
221.07047	2.1
222.05481	0.5
227.08174	0.5
235.89529	0.3
237.06554	5.5
237.99765	0.4
240.01355	0.9
240.06479	0.3
247.65756	0.3
249.06668	0.4
250.05002	0.4
255.07626	0.4
259.05069	0.4
261.06689	0.7
262.05093	0.8
263.04468	1.3
264.06549	1.2
265.06067	0.8
277.03619	0.8
277.06122	3.7
278.04483	1.2
279.04343	0.3
279.07578	1.1
280.06012	3.7
281.05591	0.6
286.07117	0.8
287.04541	1.2
288.02792	0.5
288.77783	0.3
289.06036	4.3
290.04425	0.7
292.04807	0.3
296.05533	2.3
305.05533	15.2
306.05917	0.6
307.07156	2.3
308.05429	1.3
323.06644	4.7
333.05124	0.7
344.07648	1.2
351.06076	24.9
352.06512	1.1
363.11255	0.4
366.10968	0.5
367.10605	0.5
369.07034	1.5
382.10675	0.7
383.08719	2.5
391.10654	2.2
392.09479	0.3
393.12015	1.4
409.11951	1.4
411.13306	0.6
427.12906	5.9
437.11243	5.0
438.11737	0.3
455.12338	40.1
456.12540	2.0
473.13480	3.4
487.15103	0.6
498.15344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1726
Annotation	Marchantin K
Peak:m/z	Relative Intensity
53.03945	1.0
55.01852	1.0
55.05506	6.6
65.03925	1.5
67.05492	3.6
69.03068	1.5
69.03423	20.5
69.07050	1.5
69.14189	5.5
79.05486	4.1
81.03412	9.4
81.07061	5.3
83.04986	13.9
91.05482	8.1
93.07040	3.9
95.04974	5.1
95.08609	4.0
97.06491	1.1
105.07040	9.7
107.08588	4.3
109.06485	2.5
111.03660	1.7
111.04441	29.5
117.07044	7.4
118.83861	1.1
119.08596	8.2
121.06480	1.6
121.10161	1.4
123.08009	1.0
124.03958	1.7
124.29989	0.9
128.06236	1.5
129.07014	4.3
130.07797	1.5
131.08562	22.6
133.06554	1.5
133.10117	3.8
135.08005	1.3
141.06979	2.3
142.07787	3.1
143.08560	8.2
145.06454	3.4
145.10107	13.3
147.08029	1.8
147.11632	1.4
149.09657	1.9
149.13254	1.1
153.06953	1.4
155.07336	1.0
155.08482	5.9
156.09354	3.3
157.10181	7.8
158.10887	2.2
159.08186	2.0
159.11664	5.6
161.09607	3.0
161.13254	1.5
165.07027	0.9
166.07765	1.1
167.08578	2.8
168.09302	2.1
169.10167	4.0
171.11670	7.5
173.09636	3.0
173.13251	28.9
173.14767	1.4
174.13632	1.1
175.14868	1.6
179.08447	1.1
181.10107	3.2
183.11653	5.1
185.09555	1.8
185.13271	1.3
187.11086	1.0
189.12744	4.0
191.10599	2.0
191.14415	1.5
192.09496	1.1
192.27193	1.0
193.10123	2.1
195.11699	3.4
197.09741	1.4
197.13281	1.6
199.11282	1.7
201.12779	5.2
203.08557	1.5
207.11635	1.4
209.09642	1.5
209.13202	1.7
211.11119	1.1
219.11987	1.1
219.13771	5.6
229.12160	1.0
247.13092	1.0
255.17485	1.2
265.15958	1.7
283.17014	2.2
311.16425	2.6
329.17407	3.5
347.18417	2.6
367.24396	1.4
389.19519	34.4
390.20053	2.1
417.36481	1.1
427.15164	6.6
446.18201	1.0
487.17270	100.0
487.29901	3.9
488.17734	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	487.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17901	3.6
55.01879	5.1
64.30042	4.5
69.03423	12.6
70.06587	12.6
70.97662	5.8
71.05001	8.8
73.16425	4.0
81.03403	21.6
83.06883	4.8
84.08137	6.5
85.02929	7.0
99.04433	5.9
100.07623	23.5
110.09626	5.4
128.38469	4.5
130.05048	5.0
131.04936	17.9
131.52875	3.7
133.02864	11.6
137.48329	4.6
147.04385	6.5
147.09164	6.8
173.07117	9.8
175.03825	5.4
175.08574	8.3
175.13792	3.8
191.08145	100.0
242.08153	5.7
256.04520	4.2
301.96371	3.7
307.12827	26.4
325.10455	5.8
325.13901	61.0
371.12329	5.6
427.16678	6.0
451.26239	8.0
469.17816	5.3
469.26810	9.3
470.28436	7.1
487.27524	5.0
488.29523	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	487.1941
Annotation	Rutaevin
Peak:m/z	Relative Intensity
51.42453	0.7
63.61387	0.8
66.90031	0.7
69.03424	1.7
71.43098	0.7
73.02902	1.7
81.03413	2.1
81.07051	1.3
85.02870	1.3
86.93344	0.7
89.06013	3.9
91.05478	1.5
93.07047	0.8
93.41405	0.8
97.02880	0.9
98.97625	1.4
102.06844	0.7
112.67844	0.7
118.31552	0.7
119.04939	1.7
123.96033	0.7
124.03957	1.9
124.15843	0.8
133.02846	8.5
133.08592	2.0
135.04388	0.8
137.06012	2.1
140.03409	1.4
147.04414	1.8
149.05902	1.6
161.06030	0.9
163.03822	1.0
165.05522	1.6
175.03944	2.6
175.37357	0.8
177.05502	1.9
183.02977	1.6
201.05534	1.4
233.06058	1.1
249.02829	1.7
291.04083	1.2
325.10703	6.2
349.05234	7.5
427.40833	1.0
469.15161	1.3
487.19412	100.0
488.19672	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	487.215
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
57.03431	0.4
59.05000	3.0
59.87337	0.4
67.05530	0.5
69.36656	0.7
69.37049	1.4
70.06596	0.5
72.08141	1.5
81.03412	0.5
82.44199	0.4
84.08141	0.5
86.09699	7.8
98.22684	1.0
106.02987	0.4
117.09100	0.8
121.02876	2.0
124.03910	0.5
133.02885	0.5
138.05463	2.1
144.06525	0.7
147.04408	0.5
199.18077	1.3
203.05347	0.6
227.17538	1.5
251.12697	0.5
259.07919	0.8
261.14481	1.6
275.16040	0.5
309.22641	1.3
325.16168	2.4
347.76938	0.5
411.49933	0.5
469.20309	2.5
487.21478	100.0
488.15637	0.6
488.21851	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	487.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31164	0.5
67.40436	0.5
69.03426	0.6
69.32314	1.2
69.32725	1.5
73.02916	0.6
79.09029	0.4
81.07043	0.8
85.02934	0.5
87.36765	0.5
91.05499	0.7
95.04966	0.6
97.06555	0.5
98.23558	0.6
105.07002	0.6
106.06873	0.5
121.02849	0.9
124.03944	0.6
130.44687	0.5
137.02335	0.6
227.05383	1.1
239.06978	0.5
239.16235	1.9
245.06369	0.8
255.06563	0.6
271.04370	0.9
289.05148	0.7
313.16168	2.3
322.85791	0.5
352.11758	0.6
355.17148	5.0
399.16180	3.9
401.21432	3.0
421.99454	0.6
423.18054	1.0
443.22534	17.8
451.17612	2.4
469.18817	1.2
476.28470	0.6
487.21515	100.0
488.21832	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	487.2311
Annotation	Verrucarin K
Peak:m/z	Relative Intensity
54.69581	1.0
55.05489	0.9
57.07071	1.6
62.98252	1.1
69.55141	2.9
71.18995	0.9
73.02914	1.9
83.90871	0.9
87.04461	5.4
89.06051	1.6
91.05473	1.3
98.23425	1.0
107.00854	1.0
113.38952	0.9
133.10191	1.3
142.93866	17.9
168.34177	1.0
289.77866	1.0
315.18134	1.5
367.28201	2.8
383.27573	1.6
407.27432	2.4
428.98318	1.1
487.23105	100.0
487.35645	6.1
488.23523	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	487.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52938	2.8
68.60021	2.1
70.56023	4.6
73.94803	2.3
79.05479	6.8
81.07035	5.5
91.05491	3.8
93.07015	3.1
95.08596	3.2
99.65096	2.2
105.07028	3.5
112.38900	2.3
128.17223	2.7
147.11688	2.6
171.11609	3.2
230.65672	3.0
409.24969	2.9
487.27966	100.0
488.28107	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	487.282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59449	3.2
53.58472	3.3
69.15891	11.2
69.16307	11.0
74.36613	2.9
105.16170	3.6
125.52545	4.1
215.91156	3.4
414.70520	3.7
487.21466	6.8
487.28186	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30752	3.5
70.93472	5.6
72.80930	3.7
78.19957	3.4
81.07034	3.3
81.68221	3.4
119.16184	4.2
201.37643	3.6
210.84428	3.6
329.20752	8.0
437.12335	3.7
487.28116	100.0
488.28464	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3029
Annotation	Hyrtiosin B
Peak:m/z	Relative Intensity
51.99535	0.5
55.05500	1.0
56.34691	0.4
58.07394	0.5
63.38250	0.4
67.05510	0.7
68.83691	0.4
69.03423	0.5
79.05485	1.2
81.03416	1.0
81.07035	1.2
83.04991	0.9
89.06004	0.5
91.05472	1.4
93.07036	1.7
95.04971	0.6
95.08605	0.9
105.07011	1.8
106.06528	0.7
107.08540	0.6
119.08575	1.5
120.08924	0.5
121.10164	0.6
124.03946	9.7
125.04289	3.2
127.01556	7.5
130.48376	0.4
131.08583	0.8
133.10124	0.6
138.97267	0.6
145.10149	1.0
153.05450	0.6
157.10159	0.7
157.99568	0.4
171.11674	0.6
173.73004	0.5
178.06284	1.0
184.72595	0.5
191.10498	1.1
193.08646	1.1
199.27893	0.5
214.16754	0.7
222.13539	0.5
359.21912	7.5
409.27194	0.8
427.28229	9.0
428.28464	0.7
469.18170	0.6
487.30276	100.0
488.30585	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	487.3029
Annotation	Hyrtiosin B
Peak:m/z	Relative Intensity
55.05494	1.4
65.08398	1.1
67.78007	1.2
69.07088	1.2
79.05487	2.0
81.07047	2.7
91.05480	1.9
93.07044	4.0
95.08627	3.5
96.53864	1.2
96.86314	1.1
105.07039	4.8
106.02897	2.6
107.08581	3.1
109.10178	2.2
112.61888	1.2
114.49504	1.2
118.12315	1.3
119.08590	2.7
124.03951	24.9
125.04186	1.2
127.01588	3.9
131.08575	2.1
145.10132	2.2
159.11772	1.7
189.11549	1.4
267.74475	1.2
290.78568	1.3
372.68375	1.2
409.25827	3.0
427.28226	17.0
453.19296	2.8
470.29224	1.6
471.20859	1.5
487.30298	100.0
488.30295	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	488.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85022	0.3
53.03930	0.6
53.11873	0.3
57.07072	1.6
60.26604	0.3
60.39500	0.3
62.42967	0.3
65.03940	0.9
69.03421	0.8
70.93092	0.4
73.02908	0.7
81.03418	1.1
85.02904	2.4
85.03355	0.4
87.00820	1.3
87.04456	0.6
89.06033	0.6
91.82170	0.3
97.02881	1.2
97.85915	0.3
99.04445	0.7
105.01857	0.4
108.04442	0.5
109.02859	1.3
121.02870	3.2
121.03741	0.5
127.03918	1.5
145.04912	0.6
149.02335	100.0
150.02667	2.0
159.02873	0.8
167.03413	1.1
190.05011	0.5
205.08601	3.2
223.09648	11.8
296.79022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01877	2.2
55.05497	1.9
55.91260	0.9
57.03438	1.7
58.36602	0.9
59.04997	2.7
59.96844	0.9
61.02928	1.1
69.03425	3.7
69.62064	3.1
71.04984	2.7
71.54977	0.9
75.10880	1.0
81.03410	1.5
83.04963	1.9
84.48088	0.9
85.02898	9.4
85.72313	0.9
95.04966	1.6
97.02889	3.0
99.04449	8.8
103.05547	0.9
109.02876	1.7
119.08593	0.9
127.03874	1.7
128.06178	1.1
129.06993	1.5
131.04924	1.0
131.08537	1.2
137.05951	1.3
143.08551	3.6
145.04974	1.6
147.07996	1.7
151.03865	1.8
151.07465	1.2
153.05501	1.1
153.07021	1.4
155.03223	1.0
157.06499	1.6
159.04375	1.0
161.05986	2.0
162.68338	0.9
171.08046	5.1
174.06641	1.5
175.07469	1.7
177.05487	2.8
181.06422	1.2
181.08595	1.4
183.06563	2.5
187.07542	1.6
188.08311	1.7
189.05470	6.2
189.09129	4.0
193.04973	1.6
194.05676	1.2
196.03685	5.8
196.16888	1.2
197.08121	2.1
199.07536	9.6
203.07018	3.6
203.10750	1.4
205.08685	2.9
206.05719	1.2
207.06523	2.2
208.07219	2.3
211.06013	55.9
215.07080	2.1
216.07733	1.0
217.08643	8.6
221.08136	6.5
222.08885	2.2
227.06999	4.6
231.10170	12.4
233.08105	2.9
235.09674	8.2
241.08575	1.8
245.08096	1.6
248.10358	2.1
249.11183	3.6
259.09634	6.5
263.12766	26.9
273.11435	1.2
277.10657	2.1
291.12262	100.0
292.12546	4.2
309.13318	59.5
310.13690	3.1
311.05344	5.1
312.05585	7.6
324.96725	1.2
360.15515	1.1
488.08487	4.0
507.20477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11832	2.3
55.01891	2.5
55.05511	5.7
58.43325	2.4
65.03934	2.5
67.05501	20.9
69.07074	4.1
71.04976	5.7
75.94386	2.2
79.05482	9.2
81.07057	17.8
83.04977	4.6
87.04462	3.6
91.05491	10.5
92.72203	2.2
93.07036	19.3
95.04965	10.5
95.08603	14.4
97.02894	9.6
97.06535	5.6
105.03394	15.0
105.07031	16.7
107.08602	13.4
109.06516	31.8
109.10216	2.6
111.04432	11.5
111.08094	7.1
111.73733	2.0
113.06037	2.5
117.07050	6.9
119.08578	22.1
121.06507	7.9
121.10158	29.3
123.04455	2.9
123.08038	2.8
124.03951	17.3
128.06235	3.3
129.07018	5.0
131.08572	26.5
133.10152	12.5
135.08084	4.7
141.05470	6.9
141.06990	3.1
142.07756	5.7
142.85490	2.5
143.08575	15.3
144.09431	2.8
145.10121	13.6
147.08041	4.6
147.11702	5.3
149.09630	10.2
152.07068	3.7
155.07010	11.8
155.08560	8.3
156.09337	6.7
157.10104	31.1
158.10916	4.2
159.08070	3.9
159.11673	21.7
161.09698	3.5
161.13222	2.3
163.07631	2.8
163.11191	3.1
165.09128	2.9
167.08574	9.1
169.10165	13.5
170.10860	7.9
171.11673	29.9
173.09625	4.2
173.13213	18.9
175.11230	7.6
179.08531	11.7
181.10069	12.0
183.11711	18.5
185.09579	3.3
185.13254	12.7
187.11203	7.5
187.14886	3.3
193.08563	4.9
193.10161	11.8
194.10866	9.3
195.11658	8.0
197.13240	16.3
199.14925	3.0
201.12782	6.7
202.13393	4.8
203.14345	5.2
207.11668	19.0
208.12396	5.5
209.13229	46.3
211.11201	3.5
211.14796	8.0
213.12669	3.0
215.14308	4.9
220.12578	3.9
221.13321	3.0
223.14801	20.1
225.16330	11.0
227.14365	5.4
233.13383	2.9
234.13867	2.4
235.14825	10.7
239.09140	5.1
245.15463	3.0
249.16444	3.3
251.14322	31.3
252.12430	5.4
253.15872	9.6
267.17404	5.2
269.15289	25.7
271.16928	6.4
285.18457	5.7
287.16415	21.0
289.18027	4.4
295.16855	7.0
300.28928	4.9
303.19565	6.2
313.17957	100.0
314.18378	4.0
331.18997	54.9
349.20087	27.6
370.78226	2.4
428.28525	6.8
435.17880	2.6
453.18909	4.5
488.24585	3.0
488.30618	28.0
489.14853	3.1
489.21039	5.0
489.31390	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	488.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
57.07073	2.8
67.05511	2.7
68.29290	0.5
69.03412	1.0
69.07034	1.5
69.12255	0.5
72.51022	0.4
76.55521	0.5
78.03431	0.6
79.05481	2.8
80.05009	0.6
81.02961	0.8
81.03407	9.9
81.07052	3.9
83.04955	1.9
85.06543	0.5
91.05461	3.7
93.07048	2.9
95.04930	1.9
95.08591	5.1
97.02886	2.8
97.06498	0.9
99.04442	0.9
104.06281	0.6
105.07019	8.0
107.08589	4.9
109.06483	1.4
109.10129	1.2
111.04428	2.7
115.05377	0.9
117.07000	3.1
119.08567	13.3
121.06512	0.5
121.10120	3.2
123.08026	1.7
123.11633	0.5
124.03944	11.9
125.05972	1.5
127.03910	5.6
128.06187	0.8
129.07011	0.9
130.07764	2.0
131.08566	6.6
133.10123	6.9
135.08025	1.7
135.11658	0.8
137.06020	0.6
137.09625	0.6
142.07756	1.3
143.08539	3.5
144.09334	1.8
145.10110	48.7
146.10455	1.2
147.08037	0.9
147.11676	13.8
149.09573	1.5
149.13193	0.8
155.08530	1.7
156.09308	0.8
157.10112	5.9
158.10944	3.7
159.07997	1.0
159.11681	10.1
161.09589	0.9
161.13226	2.4
167.08318	0.6
169.10121	1.9
170.10808	1.2
171.11676	1.7
172.12427	6.5
173.09529	1.4
173.13242	3.7
174.14030	1.0
175.11137	0.8
175.14859	1.3
177.16302	1.0
181.10190	0.7
182.10834	0.5
183.11681	2.3
185.09531	0.8
185.13248	1.9
187.14801	100.0
188.15146	3.3
189.12645	0.6
189.16316	0.9
191.10739	0.8
193.10085	1.5
195.11674	0.8
197.13196	1.8
199.14815	0.7
201.12788	1.4
201.16396	0.7
205.15852	5.3
207.11719	1.4
209.13229	0.6
210.13811	0.6
211.11295	0.9
211.14796	3.6
213.16353	1.8
215.14293	1.5
220.12451	0.6
225.16331	1.5
229.15790	0.7
233.15421	0.6
235.14809	2.3
239.17932	0.7
249.16356	0.9
253.12236	1.0
267.17480	0.8
285.18448	0.7
295.16873	2.3
313.17874	8.5
331.19006	70.9
332.19363	3.1
349.19803	0.7
489.15649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54234	0.4
55.05498	1.4
55.11336	0.4
58.06582	1.3
67.05501	3.9
69.03416	1.4
70.06586	11.5
71.04990	1.9
72.04514	2.6
72.08156	11.2
73.02899	1.1
78.21977	0.4
79.05484	1.9
81.07056	3.1
83.04986	0.5
84.08141	5.2
85.02899	2.0
85.06528	0.5
93.07051	0.5
96.08112	0.6
97.06524	0.4
98.06040	1.1
98.09666	1.2
99.08069	0.5
100.07613	41.1
101.07151	0.5
101.07906	0.5
105.07006	0.5
107.08538	1.0
108.08108	2.4
108.97976	0.4
109.10126	1.1
110.08969	0.7
110.09682	14.0
112.11243	3.2
113.02329	0.4
113.07109	1.1
121.10149	0.7
122.09676	0.5
123.10432	1.2
124.11198	1.2
125.09595	1.3
126.09135	1.6
129.13864	1.0
131.03346	0.6
136.11192	1.2
140.10745	0.5
141.01817	0.7
142.12244	1.2
143.11774	0.9
149.09587	0.5
149.71301	0.4
151.03894	0.5
152.10735	0.8
155.11772	6.7
169.13390	2.0
171.14931	9.0
172.14615	0.4
178.15933	0.7
196.16959	100.0
197.17308	2.7
198.18454	0.7
223.18100	0.4
224.16449	8.3
241.19073	1.6
274.09872	0.4
279.57141	0.5
292.97382	0.4
294.25540	1.2
295.23834	2.7
312.26425	58.5
313.26654	2.3
326.24310	2.1
372.20129	6.3
373.20587	0.6
403.63293	0.5
421.54688	0.4
470.28458	0.6
471.27042	0.4
488.16809	5.0
488.29639	40.2
489.30008	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	488.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.82473	0.7
55.01845	1.4
55.05511	3.7
55.80233	0.7
56.01384	0.7
56.04811	0.8
56.05038	5.2
57.03430	2.9
58.06585	0.8
59.04975	1.1
61.02920	3.1
62.36836	0.8
65.06140	0.8
67.05501	9.6
68.05023	3.0
69.03420	8.4
69.07063	1.8
69.40187	4.0
70.06591	25.1
71.04988	3.6
71.07368	2.7
72.04520	2.5
72.08154	49.3
73.02905	1.6
79.05492	9.0
81.03433	4.8
81.07061	6.3
82.06583	1.5
83.04971	4.6
84.04514	2.2
84.08149	5.1
85.02904	21.0
86.06062	2.3
87.09250	0.8
88.07632	22.7
91.03959	1.0
91.05479	2.2
93.07057	1.9
94.06563	0.8
96.04520	2.0
96.08121	2.2
97.02884	7.1
98.06074	5.4
98.09707	2.6
99.04512	0.9
100.07614	10.5
105.07010	1.3
106.06561	1.3
107.04914	1.2
107.08594	6.5
108.08142	3.4
109.02895	2.6
110.09679	39.3
110.53320	0.9
112.07621	2.5
114.05535	1.3
114.09161	1.6
120.08139	2.2
122.09670	2.1
124.07615	1.7
124.11234	20.5
125.09642	14.1
125.10758	2.6
126.05532	3.6
126.09153	58.2
127.03888	4.5
127.09490	1.8
134.09605	0.9
135.10524	1.0
136.11192	7.7
143.11795	23.0
145.05011	2.5
147.04471	1.0
149.12000	1.4
151.03943	1.8
152.10709	1.6
157.09747	0.7
169.09735	6.1
176.14386	1.5
177.06622	1.0
178.15912	19.8
180.17476	11.3
181.05020	0.9
181.13367	1.6
183.11221	0.9
185.12886	2.5
186.12524	1.1
196.16965	11.8
202.15486	10.3
205.09293	0.9
224.16469	1.5
240.17009	3.8
249.19693	4.3
251.21227	1.5
254.18652	5.7
286.16519	1.6
308.23300	31.1
309.23691	1.4
310.24982	4.2
312.26373	4.8
326.24344	23.9
326.28229	1.2
327.24750	0.9
358.22552	4.3
381.01111	0.9
385.41153	0.8
429.26382	2.5
488.29678	100.0
489.29810	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	488.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
57.03418	0.5
58.06572	1.0
63.58019	0.4
67.05504	4.3
68.05024	0.6
69.03403	0.5
69.79929	0.5
70.06586	11.4
70.65192	0.8
71.04962	1.6
72.04509	2.6
72.08150	9.6
75.74851	0.4
78.51197	0.4
79.05466	1.4
81.07047	2.1
81.07454	0.5
83.04985	0.4
84.07207	0.4
84.08141	4.7
85.02863	0.8
85.06523	0.8
86.63432	0.4
93.06995	0.6
98.06009	0.5
98.09676	1.0
100.07613	42.0
101.07932	0.8
107.08552	1.3
108.08112	2.1
109.10122	1.3
110.09675	14.7
112.11240	2.4
113.07120	0.9
114.43536	0.5
123.10404	1.2
124.11229	0.7
125.09620	1.3
129.13843	0.4
136.11200	0.7
141.01837	0.9
142.12254	0.8
155.11790	6.9
169.13405	2.0
171.14922	8.4
178.15921	0.6
193.71886	0.4
196.16954	100.0
197.17273	3.4
198.18489	1.0
201.50340	0.4
224.16417	9.4
241.19144	1.7
294.25354	1.6
295.23779	3.5
312.26419	59.7
313.26599	2.4
372.20123	6.6
470.28693	0.9
488.14648	1.5
488.29626	38.8
489.29901	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	488.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
54.03478	1.1
55.01869	1.6
55.05508	3.3
56.05028	4.9
57.03436	2.5
61.02925	2.6
67.05508	8.7
68.05037	2.1
69.03429	8.2
69.07079	0.8
69.47858	3.2
69.48223	1.5
70.06589	19.9
71.04987	3.2
71.07383	2.4
71.49294	0.7
72.04520	1.5
72.08152	43.4
73.02929	0.8
75.03331	0.7
79.05492	7.7
80.05007	1.4
81.03416	2.8
81.07052	6.0
82.06576	1.4
83.04993	2.4
84.04510	2.9
84.08134	5.5
85.02906	19.8
86.06093	1.3
87.09229	1.7
88.07628	18.9
91.04002	0.8
91.05486	1.5
94.06568	1.3
95.04924	0.9
96.04481	1.2
96.08094	1.3
97.02887	7.8
98.06033	3.9
98.09710	1.3
99.04470	2.7
100.07604	5.7
105.07005	1.3
107.08610	7.7
108.08121	4.6
108.86538	0.8
109.02876	2.3
110.09675	37.4
111.11656	1.0
112.07545	1.5
114.05502	1.0
114.09159	1.7
115.29640	0.9
120.08118	2.7
124.07617	1.1
124.11234	21.2
125.09644	11.7
125.10684	1.8
126.09149	54.4
126.12796	1.2
127.03927	4.4
134.09660	1.0
136.11214	4.6
138.39983	1.0
140.01648	2.3
143.11789	23.9
143.12874	1.6
145.04971	3.0
147.04352	1.2
151.03885	1.8
152.10536	0.8
155.11864	0.7
157.09781	0.8
165.60706	0.8
168.42105	0.8
169.09715	4.6
178.15912	19.2
179.16411	1.0
180.17439	10.6
181.13356	2.3
183.11333	0.8
185.12874	3.0
195.14948	1.4
196.16951	7.1
202.15471	7.7
222.93449	0.9
240.17056	4.4
243.04529	1.1
244.04742	0.9
249.19704	3.7
251.21324	1.5
254.18639	6.0
267.20581	1.1
286.16309	1.7
308.23315	25.0
308.26892	1.2
310.25058	3.4
311.94141	0.8
312.26474	2.6
326.24350	18.4
327.24734	1.2
346.34506	0.9
358.22336	3.6
361.15930	1.0
368.48361	0.9
372.05536	1.0
395.31314	0.9
429.25949	2.6
455.32510	0.9
488.14886	4.4
488.29654	100.0
489.30008	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	488.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68029	0.7
55.05516	1.6
55.89573	0.8
56.05027	1.8
57.03428	1.0
57.48152	0.8
58.06591	3.0
65.17342	0.8
67.05493	7.0
68.53398	0.6
69.03422	2.1
69.15231	2.7
69.15654	2.4
69.52844	0.7
69.54749	0.7
70.06590	15.8
71.05009	1.4
72.04503	4.4
72.08154	15.2
72.30766	0.8
79.05480	2.7
80.05012	1.2
81.03410	0.8
81.07044	3.0
82.06551	1.3
84.08138	13.3
85.02895	3.1
86.09696	2.2
88.07620	2.7
94.06559	1.6
95.04952	1.3
96.08132	1.5
98.09685	4.2
99.09229	0.9
100.07614	55.7
101.07970	1.2
105.07030	0.8
107.08585	1.5
108.08114	3.1
109.10192	1.2
110.09669	19.9
112.11229	13.6
113.07090	1.0
120.04474	0.9
124.07577	2.4
124.11250	2.2
125.09589	1.3
125.10819	0.7
126.09161	7.8
129.13872	23.6
134.05992	0.9
134.09631	1.0
136.07611	1.0
136.11209	3.1
140.01585	1.0
140.10678	7.4
142.12268	17.6
143.11792	2.6
147.04492	0.8
150.09132	0.9
152.10690	14.9
154.12230	1.0
155.11792	5.2
164.10812	1.0
169.09744	1.3
169.13362	2.1
171.14893	12.3
177.10173	1.1
178.15802	0.8
179.11827	1.4
180.10165	1.2
181.13354	1.1
184.13376	0.8
194.15425	1.1
196.16954	69.1
197.17334	2.0
208.18138	4.6
221.16502	1.0
223.18130	2.6
224.16400	5.5
239.17470	1.1
241.19061	1.5
250.19141	8.0
252.20844	1.4
294.25507	1.1
295.23914	3.1
308.23349	2.7
310.24960	2.5
312.26419	43.4
313.26837	2.6
326.24323	9.7
372.20032	4.4
381.03415	0.8
398.97498	0.7
429.26038	1.0
443.43246	0.8
488.15698	5.9
488.29645	100.0
489.19623	0.8
489.30048	5.9
503.56152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
57.07060	0.6
67.05498	2.8
69.03401	0.7
69.07045	1.0
70.99275	0.5
71.19197	0.5
77.31516	0.5
79.05484	4.2
80.05005	3.5
81.07043	5.9
83.08635	0.7
89.98853	0.4
90.02659	0.5
91.05454	3.3
93.07030	5.4
95.04942	1.5
95.08597	4.6
96.04480	3.0
97.06517	1.7
105.07014	4.6
106.02914	1.0
107.08585	5.4
109.10149	3.3
117.06980	1.1
119.08549	4.7
121.10117	4.3
123.04462	0.5
123.11694	1.7
124.03938	100.0
125.02333	1.3
125.04276	2.8
129.06982	0.9
131.08534	2.1
133.10097	3.5
135.11644	2.8
137.09579	0.7
143.08546	1.5
145.10077	2.6
147.08084	0.6
147.11682	4.2
149.13246	1.2
150.94185	0.5
157.10143	1.1
159.11710	2.5
161.13223	2.5
171.11664	1.3
173.13277	2.9
175.07568	0.7
175.14781	0.7
183.11598	0.6
185.13319	1.5
187.14813	2.4
189.16353	2.1
193.08595	0.9
199.14789	1.7
201.16447	1.6
203.07103	0.7
203.17879	0.6
211.09547	0.7
213.16368	2.2
227.17955	1.0
239.09088	2.5
269.22632	3.6
287.23773	1.0
312.19495	1.0
329.24762	2.0
347.18378	0.6
359.91620	0.5
392.25613	1.5
410.26843	2.0
452.27792	2.2
453.19006	2.3
457.24170	0.8
470.28976	1.2
471.20148	1.7
488.23032	0.7
489.18307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	92.4
58.76187	4.1
58.76523	3.7
65.54240	4.8
70.88406	8.2
80.32315	4.0
87.04469	5.4
89.05528	9.5
89.06029	100.0
91.05482	11.3
93.07024	13.6
103.05513	5.8
118.07804	5.9
119.04913	5.2
121.06515	63.5
129.29755	4.0
133.08597	66.5
147.08072	14.4
165.09109	38.7
177.11229	27.1
177.12637	4.7
180.02991	8.4
209.11844	13.5
233.19080	22.7
271.15530	10.4
277.21637	36.4
315.18109	7.8
353.73718	5.2
359.20609	81.2
360.12094	9.2
360.38293	5.8
384.17776	5.4
471.33185	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1885
Annotation	SERICETIN DIACETATE
Peak:m/z	Relative Intensity
55.06264	0.6
57.80899	0.6
77.43076	0.5
78.79967	0.5
81.30939	0.6
109.21391	0.5
199.42120	0.6
213.50430	0.5
259.02771	0.6
305.92224	0.6
489.18839	100.0
490.19177	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	489.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.4
53.03939	2.7
53.61038	1.2
55.01863	3.6
55.05497	8.3
57.03434	1.5
61.18153	1.2
65.03943	6.0
65.66206	1.2
67.05499	18.3
68.40725	1.2
69.03411	3.6
69.07060	9.3
71.04990	15.3
77.03912	2.7
79.05485	30.3
81.03407	3.9
81.07049	34.0
83.04970	2.8
83.08609	3.2
85.02882	8.0
85.06535	4.8
88.07651	1.3
91.05471	74.4
93.07034	58.1
95.04959	21.9
95.08595	42.4
97.02888	2.3
97.06532	6.5
98.98464	2.0
99.04455	1.7
103.05458	5.5
105.04517	5.0
105.07019	65.4
107.04955	3.2
107.08587	55.8
109.06511	18.5
109.10145	21.1
111.04426	5.9
111.08060	2.9
113.06007	2.1
115.05441	7.8
116.06191	2.8
117.07005	26.3
118.07819	1.7
119.04948	8.1
119.08569	100.0
121.06494	7.8
121.10130	27.4
123.08062	22.8
123.11677	1.9
125.05979	2.0
125.09605	2.0
127.03904	4.4
128.06218	7.3
129.07008	12.4
130.07776	2.3
131.04945	2.2
131.08549	31.8
133.06488	5.4
133.10118	43.0
135.08034	18.4
135.11682	5.8
137.05966	14.4
137.09575	11.9
139.07523	5.4
141.06963	6.4
142.07767	13.5
143.08549	24.4
144.09317	5.1
145.06508	7.4
145.10103	34.9
146.07233	2.9
146.10873	1.4
147.08028	8.9
147.11670	13.8
149.05974	3.4
149.09593	19.7
149.13226	2.8
150.10373	3.1
151.07555	7.2
151.11143	3.6
153.05478	1.4
153.06917	4.0
154.07771	2.1
155.08525	15.5
156.09294	10.5
157.10103	35.1
158.00058	6.8
158.10907	7.5
159.08043	6.1
159.11679	32.8
160.12448	5.0
161.09598	10.8
161.13249	8.0
163.07532	11.8
163.11160	5.6
163.14719	2.1
165.06973	2.9
165.09123	6.0
166.07739	1.8
167.07132	1.6
167.08508	5.6
168.09386	4.8
169.10107	26.0
170.10901	7.6
171.08014	3.8
171.11674	22.3
172.12402	2.6
173.09634	7.5
173.13220	14.8
174.13913	1.8
175.07538	4.2
175.11191	15.5
176.11922	10.1
177.09129	12.6
177.12721	16.2
179.08575	4.6
180.09305	1.8
181.08641	2.1
181.10043	7.2
182.10899	5.4
183.08005	2.5
183.11668	20.3
184.12456	1.5
185.09610	4.6
185.13243	8.0
187.07509	3.2
187.11057	2.9
187.14821	4.4
189.09125	7.9
189.12744	2.9
191.07025	1.4
191.10657	3.7
193.08600	1.6
193.10136	4.8
193.11870	1.4
194.10889	1.9
195.11723	11.4
196.12474	5.4
197.09598	5.0
197.13231	13.4
198.13910	1.6
199.11137	2.5
199.14792	5.5
201.09113	12.0
201.12740	5.1
201.16397	2.8
203.08951	1.3
203.10596	7.9
203.14278	2.7
205.10252	2.2
205.12132	1.8
207.11688	5.3
208.12558	1.7
209.09526	1.6
209.13229	13.6
210.14099	1.6
211.11165	4.6
211.14783	19.4
213.09052	2.8
213.16342	2.2
215.10608	9.0
215.14330	3.7
215.18056	1.7
216.15172	1.6
217.08632	2.3
217.12221	4.2
219.11801	2.4
219.13814	6.9
220.12492	1.7
221.13248	4.4
223.14761	4.1
225.12761	3.4
225.16327	12.6
227.10672	2.9
227.14336	2.7
227.17828	3.0
229.12242	5.6
229.15796	3.7
231.10127	4.8
233.15393	2.3
234.13992	2.2
235.14796	4.1
237.12715	2.9
239.14297	4.8
239.17897	1.8
241.12233	1.7
243.10010	1.7
243.13800	2.2
243.17494	2.9
245.15323	3.8
247.16920	5.3
249.16417	5.2
251.17860	2.2
253.12218	2.3
253.15863	13.3
255.13718	7.6
257.11667	1.5
257.15363	20.6
258.15652	1.5
267.17444	8.5
269.15445	3.1
269.18903	2.0
271.16913	31.4
272.17108	1.7
275.16290	7.1
277.15741	2.8
285.18390	2.7
289.17926	19.6
295.16916	23.3
313.17950	46.4
314.18307	3.4
331.19000	22.9
349.19998	1.5
381.07086	1.3
387.21533	11.3
397.30933	1.3
429.22513	1.9
447.23599	1.9
488.43604	1.9
489.25076	23.1
489.36115	2.8
489.42932	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	489.3184
Annotation	CHEBI:68042
Peak:m/z	Relative Intensity
55.05504	0.7
67.05497	1.7
69.07063	0.4
79.05485	1.0
81.07051	3.2
89.36539	0.4
91.05458	1.1
93.07053	1.3
95.04977	1.1
95.08607	0.7
99.04548	0.4
105.07016	1.8
107.08600	1.5
109.10170	1.2
119.08600	1.1
121.10162	0.6
127.01570	0.6
131.08539	0.5
135.11676	0.5
145.10155	0.7
147.11662	0.5
278.40903	0.4
411.28784	0.5
429.29742	34.5
430.29959	1.6
474.42902	0.4
489.20532	2.5
489.31824	100.0
490.32162	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	489.3185
Annotation	Ser Val Lys Arg
Peak:m/z	Relative Intensity
55.05492	1.9
63.12923	0.6
67.05226	0.5
67.05500	6.9
69.07056	1.2
69.17864	3.4
70.52052	0.6
79.05471	2.1
81.07039	3.6
83.08591	1.3
91.05438	2.1
93.07018	2.7
95.08582	2.1
105.07040	1.6
107.08577	1.2
109.10133	4.1
117.07030	0.7
119.08568	1.6
121.10111	0.9
123.54355	0.7
127.33578	0.6
133.10138	0.7
135.11655	1.2
145.10068	1.0
163.01393	0.7
175.81662	0.7
335.52411	0.6
471.34299	1.2
489.31668	100.0
490.31827	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	489.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05505	18.5
57.03416	4.8
57.07057	2.9
59.04982	3.5
59.50391	1.1
65.03930	4.3
67.05498	100.0
68.05829	1.6
69.07057	13.2
70.35612	1.2
71.04978	4.3
76.14774	1.0
77.03887	1.5
79.05043	2.4
79.05487	32.8
81.07051	42.2
81.76429	1.1
83.04976	2.0
83.08614	9.4
85.06526	4.4
91.05471	26.4
93.06444	2.1
93.07034	36.0
95.04943	6.8
95.08597	26.2
97.06496	1.8
97.10165	2.5
99.08093	1.6
105.04478	2.3
105.07016	22.5
107.08584	22.3
109.06493	1.3
109.10144	62.0
110.10504	1.7
111.08060	3.9
117.06996	8.2
119.06033	1.2
119.08575	24.3
121.10136	15.6
123.11700	2.1
125.09584	1.9
129.06990	3.1
131.08553	14.4
133.10123	13.5
135.11681	9.0
137.09576	3.2
139.11110	2.2
143.08559	3.4
145.10098	10.7
147.11665	10.1
149.13225	5.2
155.08528	1.7
155.10632	3.2
157.10098	4.2
159.11684	8.5
161.13219	5.9
163.11118	1.2
163.14772	2.2
169.10017	1.2
171.11691	3.4
173.11720	16.1
173.13249	6.4
175.14839	1.6
183.11595	1.4
185.13280	4.0
187.14783	2.7
197.13264	1.8
199.14793	2.7
211.14737	1.5
213.14656	1.3
243.21103	2.6
259.20505	1.3
261.22101	7.8
285.22049	2.2
299.23862	1.8
317.24841	2.2
377.26727	1.9
379.29800	7.2
397.30896	8.3
415.31906	2.4
433.32605	1.7
471.34723	6.9
489.36398	70.0
490.35770	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	1.3
55.01869	2.0
55.05507	18.9
57.03429	5.4
57.07069	2.9
59.05000	2.8
65.03930	3.8
67.05499	100.0
69.03409	1.9
69.07065	15.7
69.20870	7.7
71.04988	4.0
74.46830	1.1
77.03927	1.2
79.05486	31.1
81.07050	42.2
83.04987	1.9
83.08611	9.0
83.46156	1.3
85.06540	2.9
87.76619	1.5
90.07923	1.2
91.05473	30.4
93.07036	39.5
95.04961	6.5
95.08597	29.4
97.06519	3.2
97.10143	2.4
105.04527	2.0
105.07018	23.6
107.08584	21.2
109.06487	1.4
109.10146	52.5
109.10894	2.8
110.10480	1.9
111.08081	2.6
117.06982	9.2
118.20850	1.4
119.08567	29.6
121.10120	16.1
121.49857	1.3
123.11679	2.7
125.09641	1.5
128.06219	1.8
129.06985	4.8
131.08557	18.3
133.10132	22.3
135.11671	13.4
137.09604	4.1
139.11150	1.5
141.06950	1.4
141.94852	1.4
143.08533	5.7
145.10094	21.2
147.11665	14.1
149.13242	5.7
155.08498	3.2
155.10637	2.0
157.10110	4.3
159.11685	12.0
161.13251	7.7
163.14755	1.8
169.10162	2.6
171.11687	4.9
173.11720	15.5
173.13235	8.5
175.14868	3.3
183.11723	3.8
185.13278	4.3
187.14825	5.2
197.13126	1.5
199.14824	3.3
201.16455	2.1
213.14735	1.9
213.16542	1.6
215.17758	1.4
227.17952	1.6
229.14275	2.0
239.17935	1.6
241.19507	1.5
243.21178	2.9
259.20520	2.2
261.21985	9.8
269.55328	1.5
273.22058	1.8
299.23553	2.3
317.24817	4.9
329.24976	1.3
348.59796	1.4
352.42664	1.4
377.26773	2.0
379.29874	8.0
391.28201	1.5
397.30905	13.8
415.31955	3.5
471.34625	11.1
489.36411	86.3
490.36707	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	490.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01863	1.9
61.02906	0.8
63.97481	0.5
65.73629	0.6
68.99808	0.8
69.03419	5.2
69.07065	0.6
70.06589	0.9
70.79908	0.9
71.04979	0.6
73.02911	1.2
76.52451	0.6
81.03421	4.5
85.02901	14.9
86.09726	0.7
87.00814	5.1
97.02881	5.8
99.04461	2.2
105.01871	3.8
108.04474	1.9
109.02884	6.1
117.01859	1.5
123.04431	2.1
126.05511	0.9
127.03921	8.4
145.04927	3.7
153.09048	0.6
158.59688	0.7
159.02834	2.9
167.07033	100.0
168.07372	1.6
177.03856	0.7
207.10191	1.1
219.10237	0.9
221.11717	1.7
225.11198	20.8
231.04944	1.8
233.07962	0.8
248.07674	1.0
287.05548	3.5
333.13361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36735	0.4
53.03945	1.2
55.01859	2.2
56.62317	0.5
57.03417	1.0
61.02917	0.8
65.03938	1.1
65.91338	0.5
67.05500	0.8
68.99769	0.8
69.03422	5.4
70.50193	0.9
71.05006	0.6
73.02905	1.2
79.05480	2.2
79.05893	0.6
81.03415	4.6
81.07049	0.7
85.02406	0.9
85.02901	15.5
87.00818	7.4
87.04487	0.5
91.03955	0.8
91.05475	27.5
93.07042	2.6
97.02889	4.9
99.04439	2.4
99.56905	0.6
103.05455	0.7
105.01866	9.0
105.03396	0.7
105.07040	3.7
107.04940	0.7
107.08569	1.6
108.04472	1.4
109.02869	4.8
115.03846	0.5
115.05455	0.7
117.07049	0.9
123.04416	1.2
126.05527	0.6
127.03915	12.3
127.05373	0.8
128.06219	12.4
129.01837	0.8
129.06996	100.0
130.07330	1.8
135.11705	2.8
145.04948	6.7
145.06316	1.1
149.13257	1.8
155.06050	1.5
159.02907	3.4
160.41486	0.6
177.12746	1.3
178.07776	3.2
179.08528	2.0
181.09962	0.6
192.09386	0.9
195.08089	0.6
205.10211	0.9
207.11678	32.2
208.11937	0.6
209.15372	2.4
213.03929	0.7
217.09956	0.5
225.12756	1.3
227.16393	0.5
231.04961	3.5
249.06068	0.9
265.21136	0.5
277.06885	0.6
315.13864	0.7
399.79172	0.6
433.06323	0.5
491.16873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39764	0.5
53.03937	1.5
55.01859	1.6
57.03430	1.0
60.04499	0.4
61.02915	1.1
65.03923	0.7
68.99805	0.6
69.03426	6.5
71.04963	0.5
73.02896	1.8
73.49602	0.5
73.63302	0.5
78.41898	0.4
81.03420	5.2
81.07038	0.6
85.02899	15.2
87.00829	6.4
91.05473	26.3
97.02886	5.1
99.04434	2.9
105.01856	9.2
105.07027	2.1
107.04925	0.6
108.04482	1.0
109.02881	4.8
117.01836	0.9
123.04408	0.8
124.03922	0.7
126.05497	0.6
127.03904	9.8
128.05499	0.3
128.06209	14.2
129.06993	100.0
130.07314	2.5
138.05463	0.6
145.04962	5.6
145.06464	1.5
155.06064	2.1
159.02853	3.8
159.88466	0.5
167.08598	0.5
171.02863	0.6
178.07822	3.3
179.08511	1.6
181.10121	0.5
182.08131	0.6
192.09253	1.0
205.10161	1.0
207.11673	31.2
208.11980	1.3
230.06615	0.8
231.05009	3.9
248.07661	0.8
249.05981	0.9
315.14014	0.6
442.75223	0.5
490.19724	2.5
491.16901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26962	13.1
62.82878	12.2
62.87508	11.9
69.10311	66.3
70.06576	23.5
72.08140	19.5
85.02908	27.4
86.09727	29.5
97.02868	20.7
98.23437	31.6
103.03960	14.3
104.92692	14.7
105.07014	22.6
119.08559	32.2
123.11695	17.4
135.11673	15.0
147.04327	18.6
147.11653	31.0
156.19547	15.4
173.72192	16.9
185.13370	12.7
189.12744	24.4
207.13724	31.6
225.14925	21.1
255.02840	24.3
287.05414	100.0
446.17389	14.5
472.19513	23.8
490.20807	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
53.17856	0.5
55.01855	1.0
55.05486	1.5
56.05007	1.8
56.57076	0.6
57.03396	2.4
58.06598	2.7
58.53249	0.7
61.02893	2.4
64.23430	0.5
67.05499	7.7
68.04986	1.7
68.99814	0.6
69.03423	7.1
69.07034	1.1
70.06588	15.5
71.04946	1.9
72.04518	3.6
72.08154	13.0
73.02904	1.1
74.02238	0.5
74.06033	1.7
79.05493	5.8
81.03419	3.5
81.07056	3.3
82.06543	2.6
83.04951	1.9
83.07323	1.8
84.04482	1.3
84.08135	8.1
85.02900	19.6
85.06512	0.6
87.04456	0.8
91.03963	0.6
91.05463	0.8
93.07010	2.1
95.04939	2.0
95.08546	0.6
96.08125	3.5
97.02893	6.8
97.08881	2.0
98.08407	0.5
98.09657	2.6
98.23427	1.6
99.04414	1.4
100.07612	66.4
103.05415	1.2
105.06972	0.6
107.04926	1.5
107.08604	3.3
108.08076	2.0
109.02847	2.6
109.08828	0.9
109.10155	1.4
110.06013	1.9
110.09672	32.0
112.07586	1.0
119.04913	1.8
120.08073	1.2
121.02837	1.3
122.09598	1.4
123.10391	1.0
124.07582	0.9
124.11240	6.2
125.05965	0.8
125.09631	6.4
126.09120	1.8
126.11520	0.7
127.03888	4.5
127.12267	1.6
128.10719	1.1
129.10194	1.7
131.04890	1.7
133.09987	0.9
136.11168	1.7
138.09123	1.4
139.00203	1.1
140.03432	0.8
142.11020	1.0
143.11685	0.9
145.04965	2.9
147.04369	2.2
148.11122	0.8
149.09532	0.8
151.03886	1.3
152.10713	5.8
155.11765	4.2
156.12508	2.6
166.05998	1.0
166.07251	7.7
166.12265	25.3
167.05557	2.0
168.12561	1.3
169.13351	2.2
171.11307	1.0
171.14925	1.2
175.11163	0.6
178.15884	3.6
180.17473	4.0
187.14458	6.5
194.15347	1.7
196.16946	24.2
204.17004	2.3
206.15305	0.7
224.16440	5.8
229.05255	0.7
241.19154	0.7
242.18633	4.4
256.20139	2.0
257.04446	12.7
257.07132	0.7
268.23923	0.6
285.03912	63.2
293.13794	0.9
294.22824	1.3
300.06250	12.4
310.24890	12.0
312.26480	5.0
315.08597	100.0
328.17480	2.3
328.25928	9.0
358.22333	0.9
455.27988	0.6
490.31198	76.3
491.11673	1.3
491.31494	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	490.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65337	0.9
53.03942	1.3
55.01865	2.6
55.05513	7.8
56.05028	2.3
57.03439	8.6
57.05790	0.8
57.35619	0.8
58.06590	3.8
59.04998	3.3
61.02924	1.8
65.03956	1.4
67.05502	31.3
68.05024	4.4
69.03426	7.8
69.07054	2.0
69.52334	0.9
70.06586	20.5
71.01354	1.9
71.04979	2.7
71.07367	1.5
71.68832	0.8
72.04513	3.8
72.07787	1.5
72.08155	18.6
73.02906	2.0
74.41770	0.8
79.05488	34.9
79.08303	0.7
81.03413	7.0
81.07054	11.6
82.06577	6.9
83.04975	19.8
83.07341	5.2
84.04498	1.2
84.07669	1.4
84.08144	16.8
85.02896	12.9
85.07690	0.9
86.06049	1.4
87.00837	3.5
88.07661	0.8
91.05492	4.6
93.07046	1.3
95.04967	5.6
95.08614	2.5
96.08139	5.8
97.02868	5.0
97.08913	3.4
98.09692	4.0
99.04470	1.9
100.07615	66.1
101.07165	1.6
101.10800	1.0
105.01860	3.4
105.07049	3.8
107.04941	1.5
107.08592	31.1
108.04482	1.8
108.08134	2.3
108.08920	0.9
109.02878	5.2
109.06509	2.4
109.08907	2.5
109.10142	0.8
110.09669	12.7
112.07613	1.6
112.11258	1.5
114.09198	1.2
117.10252	1.9
119.06106	0.9
122.09669	3.6
123.04476	1.6
124.07589	3.4
124.11232	38.1
125.09628	77.0
126.09165	1.9
127.03923	8.2
127.12272	2.1
129.10249	3.4
131.04927	1.5
134.46024	0.9
136.11188	2.0
137.05928	1.2
138.09157	2.2
143.11798	1.4
145.04962	3.6
149.09613	1.2
150.08020	0.8
151.03868	4.1
152.05817	1.0
152.10695	26.3
154.12274	1.2
155.11801	8.0
156.12569	3.2
156.13789	1.8
159.02878	1.8
167.07031	67.9
168.07382	2.0
169.13388	5.1
171.14931	4.9
177.05428	1.0
178.05092	2.4
178.15903	4.3
182.11801	0.8
187.14359	2.0
188.17603	2.4
194.15443	2.5
196.16968	11.5
198.15923	1.2
204.17145	2.3
206.15407	1.5
207.10062	1.4
221.11737	1.4
221.16444	7.4
223.18190	1.1
224.16333	4.6
225.11200	14.7
236.27390	1.0
240.20792	1.9
241.18987	1.1
253.19104	1.2
256.20172	1.5
257.04446	2.3
283.13330	1.0
285.03864	6.8
293.13794	1.8
294.22964	4.6
295.23819	1.2
300.06082	1.7
310.24820	8.5
311.25775	1.1
312.26529	3.3
315.05112	1.3
315.08560	12.6
315.12082	1.5
317.42151	1.2
328.26099	3.2
366.22357	13.9
418.25574	10.5
472.30029	10.1
490.31198	100.0
491.31528	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	490.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08812	0.7
59.04999	100.0
60.05331	0.7
63.21355	0.6
69.03428	0.8
69.23444	1.1
69.23844	3.7
70.06590	1.5
71.05010	0.8
73.02889	1.0
73.06557	3.2
74.78046	0.7
80.16380	0.7
84.08176	0.8
85.02888	0.9
86.09725	1.2
87.04466	11.1
89.06026	76.6
90.06379	0.8
91.05521	0.8
103.07576	82.6
104.07858	0.7
107.07079	1.5
117.09145	2.8
123.08134	0.6
127.03903	1.1
131.07077	2.4
133.08600	49.4
147.04362	1.1
147.10152	35.1
151.03908	1.0
161.13419	0.8
174.02240	0.6
175.09608	1.6
177.11197	15.1
183.21556	0.7
189.12703	1.0
191.12805	2.6
207.13908	1.1
221.13873	2.4
283.17419	0.8
287.05405	3.1
385.24615	0.9
429.26950	1.2
473.29510	8.1
490.23724	1.3
490.32391	2.3
491.30200	3.7
501.14166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44054	2.2
55.05516	10.6
57.07064	5.1
65.03938	2.5
67.05503	16.0
69.07063	15.2
69.99613	7.3
79.05488	19.0
81.07056	29.4
83.04979	51.9
83.08608	4.1
83.57129	2.3
87.04493	2.6
89.06023	15.4
91.05473	15.1
93.07034	27.2
95.04966	30.8
95.08604	21.1
97.06525	6.4
98.23491	3.1
103.05475	4.1
105.07025	100.0
107.08583	24.6
109.06545	4.5
109.10161	9.7
117.07025	4.3
119.08566	22.3
121.06497	7.5
121.10152	14.6
123.11720	3.4
129.06953	5.1
131.08559	11.9
133.08592	7.1
133.10127	25.3
135.11674	6.7
138.24614	2.1
142.07750	2.8
143.08588	3.9
145.10124	19.6
147.08047	6.0
147.11699	14.1
149.13301	6.8
149.89688	2.1
157.10143	5.9
159.11664	17.3
161.13272	7.7
163.14824	3.9
169.10155	2.9
170.10828	2.5
171.11658	8.2
173.13277	7.1
175.09837	2.2
175.14821	6.6
183.11610	3.4
185.13290	5.4
187.14832	3.9
197.13141	3.8
199.14796	5.1
199.34042	2.5
201.16397	9.4
211.35338	2.0
213.16391	4.0
215.17828	3.6
223.14790	2.5
224.57181	2.2
225.12750	2.9
225.16267	2.3
227.17920	3.6
241.19576	3.6
271.23859	2.2
297.06406	2.3
335.27274	6.1
353.28299	3.8
419.98343	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	491.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75316	0.5
69.75659	0.2
71.01347	0.6
73.02911	1.1
85.02892	1.3
91.05476	0.5
101.02397	0.2
103.03944	0.2
113.02353	0.7
118.01901	0.2
118.04155	1.9
119.04915	0.3
121.02876	0.5
124.01554	0.3
131.03416	0.3
131.04939	0.2
136.01518	1.1
139.00238	0.3
147.04443	0.2
152.01042	1.2
153.01855	1.1
154.02626	0.9
165.01817	0.4
169.01353	0.3
170.02081	0.4
181.01300	0.6
182.02103	1.0
197.04451	2.2
197.06096	0.2
198.01514	0.8
226.06206	0.3
236.04811	0.3
242.05647	0.3
253.04955	1.5
254.05736	4.3
255.06177	0.3
257.04398	0.6
264.04196	0.2
269.04449	1.0
270.05295	0.5
271.05997	10.9
272.06360	0.6
281.04324	1.2
282.05203	5.5
283.06012	2.6
284.06799	0.4
285.03986	0.6
286.04666	0.4
293.04382	0.2
299.05493	10.5
300.06259	15.9
301.06628	0.4
315.08603	100.0
316.08923	3.8
321.93018	0.2
325.07050	0.7
329.09937	0.2
357.09668	0.2
491.11795	4.3
492.12137	0.2
510.94852	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	491.1186
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
50.80222	0.1
55.01865	0.1
56.56046	0.1
57.03410	0.2
64.79134	0.1
67.57194	0.1
69.03384	0.1
69.04179	0.3
69.04597	0.3
71.01359	0.6
73.02920	1.1
83.01302	0.1
85.02902	1.2
91.05478	0.4
94.75041	0.1
97.02894	0.1
98.22679	0.1
101.02343	0.3
108.02038	0.2
109.90071	0.1
113.02365	0.8
114.86279	0.1
118.03341	0.1
118.04155	1.6
119.04902	0.4
120.05721	0.1
121.02833	0.4
124.01564	0.3
131.03383	0.2
136.01553	1.2
137.02322	0.1
139.00172	0.1
141.01779	0.2
151.00247	0.3
152.01045	1.1
153.01811	0.9
154.02600	0.9
159.02867	0.1
162.97061	0.1
164.01048	0.2
165.01819	0.3
170.02089	0.4
170.07205	0.1
180.00496	0.1
181.01305	0.7
182.02098	1.1
197.04442	2.4
197.06140	0.2
198.01573	0.7
200.03174	0.1
210.51802	0.1
212.04634	0.1
220.05348	0.1
225.05444	0.2
226.06219	0.4
236.04759	0.2
237.05513	0.1
242.05740	0.2
253.04991	1.8
254.05734	5.3
255.06358	0.4
257.04382	0.5
264.04178	0.2
265.04907	0.2
269.04492	0.8
270.05222	0.7
271.06006	11.3
272.06345	0.5
281.04474	1.3
282.05206	5.6
283.05988	2.9
284.06674	0.4
285.03970	0.8
286.04700	0.6
293.04401	0.4
297.04056	0.2
299.05496	11.1
300.06268	15.7
301.06357	0.5
309.04062	0.1
310.04761	0.2
315.08606	100.0
316.08957	3.9
325.07089	0.9
327.08469	0.1
339.08606	0.1
473.10745	0.1
491.11853	4.0
491.19162	0.2
492.12308	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	491.1182
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
69.75316	0.5
69.75659	0.2
71.01347	0.6
73.02911	1.1
85.02892	1.3
91.05476	0.5
101.02397	0.2
103.03944	0.2
113.02353	0.7
118.01901	0.2
118.04155	1.9
119.04915	0.3
121.02876	0.5
124.01554	0.3
131.03416	0.3
131.04939	0.2
136.01518	1.1
139.00238	0.3
147.04443	0.2
152.01042	1.2
153.01855	1.1
154.02626	0.9
165.01817	0.4
169.01353	0.3
170.02081	0.4
181.01300	0.6
182.02103	1.0
197.04451	2.2
197.06096	0.2
198.01514	0.8
226.06206	0.3
236.04811	0.3
242.05647	0.3
253.04955	1.5
254.05736	4.3
255.06177	0.3
257.04398	0.6
264.04196	0.2
269.04449	1.0
270.05295	0.5
271.05997	10.9
272.06360	0.6
281.04324	1.2
282.05203	5.5
283.06012	2.6
284.06799	0.4
285.03986	0.6
286.04666	0.4
293.04382	0.2
299.05493	10.5
300.06259	15.9
301.06628	0.4
315.08603	100.0
316.08923	3.8
321.93018	0.2
325.07050	0.7
329.09937	0.2
357.09668	0.2
491.11795	4.3
492.12137	0.2
510.94852	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	491.1185
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
56.00632	0.1
64.18150	0.1
67.55551	0.1
68.99791	0.3
70.04662	0.3
71.01348	0.2
72.30629	0.1
84.02106	0.2
85.02899	0.3
85.43184	0.1
95.01299	0.3
98.23399	0.1
99.00781	0.2
105.06999	0.2
112.01588	0.3
113.02350	0.2
118.04132	0.9
121.02853	0.2
121.41185	0.2
123.00782	0.4
131.04919	0.9
132.05687	0.7
133.06464	1.1
135.04399	0.5
140.01021	0.5
154.02675	0.3
168.00536	2.9
169.01311	63.6
170.01662	0.7
186.01616	1.1
236.04805	0.2
242.05760	0.2
253.05000	0.6
254.05771	0.4
257.04294	0.2
266.01965	0.1
269.04535	0.2
270.05051	0.3
271.06015	1.4
272.06650	0.2
282.05185	1.8
283.05984	0.3
299.05466	1.3
300.06262	14.9
301.06625	0.6
315.08591	100.0
316.08932	4.5
435.89709	0.1
460.89883	0.2
491.11783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91273	0.3
54.31016	0.3
68.99786	0.4
69.12968	1.1
69.13387	0.7
71.01329	0.3
72.51665	0.3
83.52870	0.3
85.02878	0.7
91.05447	0.9
97.02843	0.3
98.23445	0.7
108.02084	2.8
113.02332	0.3
118.04131	0.4
119.04952	1.9
121.02842	1.3
128.82181	0.3
131.04918	0.4
136.01556	2.6
137.05943	1.2
139.00163	0.3
140.00998	0.5
151.03883	0.6
154.02588	2.8
168.00566	3.1
169.01321	15.5
177.05450	0.6
186.01511	1.5
189.23216	0.3
195.21753	0.3
226.06209	1.7
253.04803	0.4
254.05740	20.5
255.06125	0.9
257.04132	0.4
258.05112	0.4
271.06064	2.0
273.28903	0.3
282.05206	23.4
283.05637	1.1
285.03992	0.6
286.04703	22.8
287.05057	1.2
299.05481	2.0
300.06268	21.0
301.07056	31.8
302.07443	1.5
315.08600	100.0
316.08899	4.3
427.64590	0.3
491.11807	11.7
492.11978	0.5
501.16089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1183
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03933	0.3
53.04646	0.1
55.01866	0.1
57.03435	0.2
61.02932	0.1
62.05849	0.1
68.99780	0.3
69.03423	1.7
69.16921	0.6
71.04988	0.1
73.02900	0.1
77.60890	0.1
78.36288	0.1
79.66086	0.1
79.87915	0.1
80.37855	0.1
81.03415	2.3
84.76070	0.1
85.02892	0.8
86.09663	0.1
87.04462	0.2
87.43883	0.1
91.05466	0.7
95.01312	0.4
97.02885	0.7
98.22667	0.2
99.04449	0.4
109.02876	1.2
119.04934	3.0
121.02898	0.7
123.00782	3.6
127.03870	0.7
141.01813	0.4
145.02878	0.2
145.04877	0.2
147.04353	0.2
151.00267	0.2
157.06474	0.3
169.01314	1.6
171.04422	0.1
185.05968	0.1
187.05997	0.9
190.79265	0.1
213.05428	0.2
224.47340	0.1
241.04956	0.9
245.04475	0.4
259.06049	0.2
269.04395	2.4
286.04526	0.1
287.05463	100.0
288.05817	3.3
312.63718	0.1
469.30438	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	491.1186
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
66.01019	0.2
68.99808	0.3
69.03429	0.2
71.01346	0.2
73.02921	0.2
81.03413	0.2
83.33211	0.1
84.02090	0.2
85.02892	0.5
91.05453	0.2
99.00771	0.4
104.93700	0.1
112.01572	0.5
113.00043	0.2
113.02412	0.2
127.00278	0.5
127.01523	0.3
132.05708	0.5
133.06493	2.0
135.04419	2.4
140.01021	1.1
142.51083	0.1
147.04378	0.6
153.03050	0.2
159.02863	0.1
168.00533	10.6
169.00806	0.1
174.06726	0.3
174.14235	0.2
186.01587	5.5
187.02032	0.1
226.70715	0.1
254.05656	0.3
257.04443	1.3
269.04565	0.2
269.08032	0.5
271.06055	0.2
272.06763	1.0
285.03815	0.7
287.05530	0.5
297.07254	0.2
299.05444	0.7
300.06259	73.1
301.06616	2.7
315.08594	100.0
316.08939	3.9
428.69742	0.2
440.57199	0.2
491.11148	1.0
491.22903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91273	0.3
54.31016	0.3
68.99786	0.4
69.12968	1.1
69.13387	0.7
71.01329	0.3
72.51665	0.3
83.52870	0.3
85.02878	0.7
91.05447	0.9
97.02843	0.3
98.23445	0.7
108.02084	2.8
113.02332	0.3
118.04131	0.4
119.04952	1.9
121.02842	1.3
128.82181	0.3
131.04918	0.4
136.01556	2.6
137.05943	1.2
139.00163	0.3
140.00998	0.5
151.03883	0.6
154.02588	2.8
168.00566	3.1
169.01321	15.5
177.05450	0.6
186.01511	1.5
189.23216	0.3
195.21753	0.3
226.06209	1.7
253.04803	0.4
254.05740	20.5
255.06125	0.9
257.04132	0.4
258.05112	0.4
271.06064	2.0
273.28903	0.3
282.05206	23.4
283.05637	1.1
285.03992	0.6
286.04703	22.8
287.05057	1.2
299.05481	2.0
300.06268	21.0
301.07056	31.8
302.07443	1.5
315.08600	100.0
316.08899	4.3
427.64590	0.3
491.11807	11.7
492.11978	0.5
501.16089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1186
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
50.12794	0.2
53.90306	0.2
57.03402	0.4
58.06590	0.2
60.49937	0.2
67.05475	0.6
68.99794	0.3
69.03407	0.2
69.07059	0.2
69.80359	0.3
69.80716	0.4
70.06597	1.3
70.06916	0.3
72.04484	0.2
72.08150	1.9
79.05470	0.4
81.03397	0.2
81.07051	0.2
84.08136	0.4
85.02876	0.6
93.09203	0.2
97.02869	0.3
98.09652	0.3
98.23416	0.3
100.07614	3.0
101.07903	0.2
107.08582	0.2
110.09679	1.4
112.16983	0.2
119.04932	1.3
121.02876	0.8
122.06008	0.3
124.11222	0.2
125.09586	0.7
134.63559	0.2
136.11116	0.2
139.00240	1.6
145.04982	0.2
151.03865	0.2
166.07166	0.3
178.15935	0.3
180.17468	1.6
181.17799	0.4
187.14389	0.3
196.16992	0.5
197.20111	1.1
204.16963	0.2
209.11662	0.3
224.16437	0.2
226.18071	0.2
256.20151	0.2
257.04434	15.0
258.04755	0.6
285.03912	60.6
286.04294	1.9
287.05585	1.1
300.06277	12.4
301.06729	0.5
310.24878	0.5
311.25323	0.3
312.26285	0.2
314.27881	0.4
315.08597	100.0
316.08914	3.7
328.25757	0.4
369.99158	0.2
490.31265	3.2
491.11432	1.6
491.31729	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	491.1549
Annotation	Salvigenin 5-glucoside
Peak:m/z	Relative Intensity
69.03387	0.3
69.97636	0.3
81.03370	0.2
85.02878	0.2
91.05426	0.3
104.21130	0.1
104.37690	0.1
118.04116	0.3
119.04939	0.5
120.26693	0.1
121.02066	0.1
121.02850	1.5
125.02338	0.2
145.02814	0.2
150.03130	0.2
153.01804	4.9
169.01292	0.2
171.02795	0.3
181.01300	4.4
196.03581	0.1
197.05913	0.2
199.02354	4.9
200.02731	0.1
211.05948	1.0
215.07066	0.2
220.19485	0.1
225.05524	0.2
229.04874	0.4
238.61902	0.1
241.04953	0.2
243.06520	0.8
253.04852	0.4
267.06244	0.1
268.07208	0.3
269.04471	0.5
270.05188	0.7
271.05988	7.9
272.06342	0.3
281.04605	0.1
282.05032	0.1
283.06192	0.1
284.06885	0.1
285.07559	1.7
296.06836	1.0
297.04218	0.1
297.07465	0.2
298.04742	0.2
298.07983	0.2
299.05472	65.8
300.05820	2.9
313.07016	1.5
314.07803	11.0
315.08124	0.4
329.10150	100.0
330.10477	4.8
474.27719	0.1
491.15460	11.3
492.15970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1552
Annotation	Salvigenin 5-glucoside
Peak:m/z	Relative Intensity
54.24342	0.4
57.03448	0.3
61.02915	0.6
67.17078	0.3
69.03420	1.1
69.84233	0.6
69.84606	1.0
71.87971	0.3
78.74458	0.3
81.03420	0.6
85.02908	2.8
91.05481	1.1
91.08067	0.3
97.02885	0.8
108.05691	0.3
112.31546	0.3
119.04954	2.5
121.06519	0.6
124.01577	0.4
127.03911	0.4
131.04939	1.2
132.05635	0.3
134.07243	1.4
135.07933	0.4
136.01582	0.3
137.02345	1.0
139.00301	0.5
152.01042	3.2
153.01863	1.6
154.02608	0.4
154.44724	0.3
165.01848	5.3
166.99718	0.5
169.01331	4.6
170.02029	0.6
180.00520	0.7
181.01346	1.4
182.02100	0.5
183.02892	3.1
195.02962	0.3
197.04550	0.6
198.01595	2.9
207.02815	0.5
207.42044	0.3
217.44687	0.3
232.17070	0.3
253.04858	0.7
253.76440	0.3
253.80058	0.3
254.05725	2.0
255.06398	0.4
268.07355	1.9
270.05286	2.1
271.06116	2.0
273.07568	0.4
281.04337	0.4
282.05310	1.4
283.05969	1.9
284.06644	0.4
285.04486	0.4
285.07559	7.5
296.06747	1.1
297.04214	0.6
297.07590	1.5
299.05496	15.1
300.06311	4.0
313.07047	11.0
314.07809	8.9
315.08609	21.5
316.08994	1.1
329.10187	100.0
330.10556	3.5
403.28690	0.3
489.98434	0.4
491.11215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01859	0.8
53.03943	8.1
55.01862	12.5
57.03443	5.5
60.01680	0.8
61.02921	5.7
67.05491	1.2
68.99785	5.4
69.03425	28.1
69.91638	2.9
71.04991	5.1
73.02912	10.1
81.03413	34.1
83.01340	1.3
85.02898	100.0
87.00825	32.4
87.04451	2.4
91.03957	4.6
93.07081	1.0
97.02888	41.8
99.04443	18.9
103.03860	1.0
105.01860	37.6
109.02875	39.6
115.03951	1.2
117.01824	6.7
118.98981	1.5
127.01570	9.1
127.03906	93.9
128.04234	1.3
129.01804	4.4
138.97116	0.9
141.01871	0.9
145.04948	55.1
146.98444	1.4
147.02876	5.0
149.02370	2.1
152.06210	1.6
153.06981	5.1
159.02882	35.3
163.06075	0.9
168.05730	1.3
177.03960	2.7
180.08075	8.1
181.06479	48.1
182.06879	1.3
193.04971	1.7
199.07536	1.1
207.06697	1.1
208.07552	8.9
213.03780	4.1
223.07509	2.7
231.04965	23.1
249.05969	2.3
250.08592	1.5
268.18060	0.9
276.94232	1.0
277.06897	1.3
300.98810	1.6
491.16553	3.2
491.31204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
67.05489	1.0
69.03407	0.5
70.92854	0.7
71.32343	0.4
79.05462	1.0
81.03384	0.7
81.07028	1.5
83.08627	0.4
91.05459	1.5
93.07000	1.3
95.04908	0.7
95.08580	1.2
97.10158	0.6
105.07007	0.8
107.04951	1.0
107.08559	0.4
109.06487	0.9
121.06493	0.8
121.10094	0.6
124.03928	1.0
125.09602	0.6
127.01536	0.7
131.08516	0.7
141.20094	0.4
145.02528	0.6
147.11563	0.4
149.02246	0.5
186.05203	0.6
209.13202	1.5
219.13652	0.5
255.09865	1.0
259.05591	1.1
279.02533	1.7
280.03293	0.9
293.04092	0.8
336.72150	0.4
367.22089	0.6
385.23444	0.7
427.60327	0.4
445.16025	1.4
447.17792	3.0
452.01901	0.4
459.27161	1.3
463.17484	2.2
473.15323	1.5
474.14972	0.5
491.16327	100.0
492.16718	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	491.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05552	0.8
60.01553	0.8
62.06081	1.7
69.03409	3.1
70.00187	2.2
70.06583	2.7
72.08151	2.2
79.05494	2.0
81.03394	2.3
85.02921	1.9
86.09695	3.4
86.64249	1.1
88.43992	0.9
89.03898	4.0
91.05480	1.0
98.22805	1.0
104.05308	1.0
105.07051	1.7
107.04982	1.4
117.03367	13.2
120.08097	1.0
121.00535	0.9
131.08560	3.8
137.02338	8.8
145.02843	33.1
147.04388	1.5
149.05978	4.8
149.09496	1.4
158.19821	1.0
159.03044	1.0
163.11148	1.2
174.12692	0.8
177.05463	69.3
178.05753	1.5
185.06026	1.6
208.14169	1.2
209.11682	5.5
213.05540	2.6
227.05785	1.2
228.06178	1.8
231.06567	1.2
238.25836	0.9
240.97658	1.0
241.04906	1.6
242.08113	4.0
243.08406	3.3
269.06305	3.7
276.84824	0.9
276.92581	1.0
286.30991	1.0
287.05438	100.0
288.05832	4.3
321.09567	1.8
321.46552	0.9
329.06445	1.2
339.10843	2.4
491.13599	12.2
491.21640	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	491.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05552	0.8
60.01553	0.8
62.06081	1.7
69.03409	3.1
70.00187	2.2
70.06583	2.7
72.08151	2.2
79.05494	2.0
81.03394	2.3
85.02921	1.9
86.09695	3.4
86.64249	1.1
88.43992	0.9
89.03898	4.0
91.05480	1.0
98.22805	1.0
104.05308	1.0
105.07051	1.7
107.04982	1.4
117.03367	13.2
120.08097	1.0
121.00535	0.9
131.08560	3.8
137.02338	8.8
145.02843	33.1
147.04388	1.5
149.05978	4.8
149.09496	1.4
158.19821	1.0
159.03044	1.0
163.11148	1.2
174.12692	0.8
177.05463	69.3
178.05753	1.5
185.06026	1.6
208.14169	1.2
209.11682	5.5
213.05540	2.6
227.05785	1.2
228.06178	1.8
231.06567	1.2
238.25836	0.9
240.97658	1.0
241.04906	1.6
242.08113	4.0
243.08406	3.3
269.06305	3.7
276.84824	0.9
276.92581	1.0
286.30991	1.0
287.05438	100.0
288.05832	4.3
321.09567	1.8
321.46552	0.9
329.06445	1.2
339.10843	2.4
491.13599	12.2
491.21640	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	491.2042
Annotation	8-Prenyllepidissipyrone
Peak:m/z	Relative Intensity
52.45900	0.8
54.24685	0.8
55.05506	2.0
67.05508	2.6
69.07077	1.4
70.67793	1.9
79.05487	2.7
81.03423	1.2
81.07047	1.3
83.08632	1.5
91.05489	2.4
93.07101	1.2
95.04972	2.1
95.08643	1.0
97.10187	1.6
98.23342	0.8
105.07035	2.0
106.36830	0.9
107.04967	2.0
107.08601	1.2
109.06512	1.8
114.55755	1.1
117.06980	1.2
119.08589	1.0
123.08055	0.9
124.03948	1.5
125.09646	1.2
127.01566	2.1
131.08528	1.5
147.08040	0.9
159.08058	1.3
179.28949	0.9
186.05249	1.9
209.13319	1.4
219.13864	2.3
221.57434	0.8
227.12851	1.3
255.09988	2.1
259.05740	1.8
277.06900	1.2
280.69595	1.0
358.17499	1.0
404.68652	0.8
411.14951	0.9
459.27286	2.0
491.21100	100.0
492.20389	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93046	0.4
67.05510	0.6
79.05469	0.6
81.07033	1.0
91.05453	0.6
98.98457	79.3
105.07001	4.5
113.00005	100.0
116.99492	1.2
119.08566	0.5
131.01001	0.6
155.04616	0.6
169.06241	0.6
178.95039	47.8
187.00006	1.6
190.77461	0.4
192.96605	8.0
196.96146	2.9
205.50958	0.5
210.97670	2.0
229.04681	0.5
229.21088	0.5
243.06308	0.9
266.96634	49.4
290.97290	0.4
315.19501	0.8
323.02902	10.9
418.30627	0.5
469.76868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.05502	4.2
57.03424	1.4
57.07058	3.7
57.82877	1.3
67.05499	9.0
69.07063	4.8
69.30172	8.2
70.06574	1.5
71.08646	1.4
79.05488	6.1
81.07050	9.9
82.05853	1.2
91.05489	3.8
93.07027	5.9
95.08598	12.0
98.98457	63.5
105.07017	5.6
107.08589	2.7
109.10123	3.1
113.00008	100.0
116.99487	2.2
119.08566	5.2
121.10136	3.3
131.01094	1.4
133.10115	3.7
133.24727	1.4
134.88043	1.5
137.13297	1.4
145.10129	1.5
147.11690	2.2
155.01019	7.6
155.04674	3.6
159.11632	1.4
169.06226	5.3
177.05280	1.3
178.95015	2.1
192.96599	11.8
200.57451	1.3
263.23657	2.4
266.96689	13.0
299.20172	1.6
314.53897	1.4
317.31680	1.4
323.02744	8.9
337.27435	10.0
379.09140	2.1
473.26517	1.9
491.36240	1.8
491.44095	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	491.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.3
59.80362	1.1
67.05508	5.9
69.07070	4.9
69.99368	4.1
73.02924	1.4
77.03923	1.2
79.05496	9.5
81.07059	8.4
82.07368	1.6
83.04975	12.1
83.08605	1.1
84.05315	1.6
87.04482	3.1
89.06032	14.9
90.06398	1.4
91.05473	9.1
92.05827	1.5
93.07050	8.1
94.07384	1.5
95.04961	13.2
95.08604	6.1
96.05317	1.4
97.06528	1.9
98.98432	1.7
103.05453	5.8
105.07024	100.0
106.07348	8.2
107.08585	6.5
109.06501	1.2
109.10165	3.8
112.99966	1.4
117.07030	2.9
119.08569	8.2
121.06505	6.7
121.10105	1.3
123.11749	1.3
129.06967	2.0
131.08585	5.1
133.08611	7.7
133.10094	7.3
135.11700	1.7
136.08397	1.2
145.10117	4.7
146.10480	2.0
147.08073	8.0
147.11681	3.5
149.09619	1.3
157.10141	2.7
159.11694	4.3
160.11945	1.7
171.11746	1.9
173.13274	2.4
177.11234	3.5
178.95055	1.7
180.48198	1.1
187.14786	1.5
188.15155	1.3
197.13200	1.3
198.53796	1.1
201.16357	1.9
266.96649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.6
55.01868	10.9
57.03434	6.4
57.54516	1.9
60.12421	1.5
61.02920	5.4
68.99776	2.1
69.03431	38.4
70.06586	4.0
71.04995	6.8
73.02912	9.6
80.05035	2.9
81.03421	38.0
85.02908	93.9
87.00832	39.9
91.03948	3.1
95.05003	3.5
97.02887	34.7
99.04453	14.2
103.05469	5.9
105.01870	29.5
107.04983	2.2
107.39639	2.1
108.04486	8.5
109.02875	37.6
117.01877	4.3
117.50262	2.1
121.06513	9.0
125.06013	2.6
126.05518	4.3
127.03914	68.0
129.01869	3.6
131.04939	6.8
137.06000	6.0
145.04964	28.0
147.02861	2.5
149.06006	15.8
149.19350	2.3
151.03908	61.0
151.04933	3.2
155.06996	2.4
159.02885	19.2
159.04269	4.4
167.07042	84.8
168.07362	2.5
169.04900	4.4
177.05475	34.2
189.03920	2.5
191.06889	3.1
193.08534	2.4
205.08577	2.6
209.08054	27.9
209.67307	2.0
213.04025	2.5
221.08110	7.1
223.09529	2.6
227.09134	100.0
228.09410	3.1
231.04948	8.8
233.08182	2.5
242.43129	2.0
248.07709	6.1
251.09093	7.2
295.08124	2.5
313.09091	6.6
317.10202	4.2
395.37918	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	492.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.3
57.35793	1.1
64.70352	1.1
69.03416	1.5
69.19283	7.5
70.06590	3.1
72.08152	1.4
81.03414	3.9
84.04516	1.2
84.08147	5.6
86.09705	2.0
93.07011	1.5
98.22754	2.1
99.04462	2.1
103.05456	7.3
106.62335	1.3
120.08097	100.0
129.10228	2.2
131.04906	1.8
138.05545	1.2
147.04671	1.6
149.05949	2.3
166.08626	34.4
206.70564	1.2
341.38046	1.1
492.14453	1.9
492.32123	2.2
493.13486	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36708	0.3
67.05502	0.4
91.05495	0.5
92.35494	0.4
94.50042	0.4
95.07334	0.4
98.06074	0.6
103.05477	1.0
107.04954	0.9
119.04912	0.4
124.03951	5.3
126.01086	0.5
130.06572	0.4
131.04919	2.3
147.04453	0.4
147.74199	0.4
157.44128	0.4
163.03923	1.6
168.02954	0.4
169.01347	1.1
187.03935	2.5
192.02892	1.8
196.06404	0.6
197.07066	0.4
198.69998	0.4
207.02931	0.9
223.08809	0.5
224.09526	0.6
231.02834	0.9
234.03987	2.6
236.11871	1.4
237.12611	37.3
238.11018	0.6
238.13087	1.8
250.13387	3.7
255.02847	0.6
262.13364	0.7
273.03955	0.6
274.13269	0.6
278.12878	25.6
279.13177	1.1
289.97351	0.5
291.93503	0.4
296.13916	2.4
300.06094	0.4
301.06674	0.5
304.07938	0.4
304.11011	0.4
304.14288	0.5
315.08746	1.3
316.08945	3.9
320.13925	4.7
323.06638	0.8
326.45691	0.4
344.13953	0.8
346.11761	0.5
352.08194	2.2
370.09241	4.3
388.12912	45.6
389.13464	1.8
406.14069	1.3
492.19186	100.0
493.19489	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	492.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43717	1.1
53.03946	3.2
55.01868	5.3
55.05518	4.6
57.03405	1.8
57.07074	3.0
61.02942	2.6
67.05505	9.2
68.99775	1.6
69.03427	10.8
69.07069	2.0
70.58333	2.2
71.04984	7.0
73.02917	2.7
79.05496	9.8
81.03412	9.3
81.07060	4.9
83.04993	4.3
83.08607	1.3
85.02901	30.4
85.06539	41.7
87.00814	11.5
87.04479	2.2
91.03965	1.9
91.05474	7.1
93.07027	10.7
94.00969	1.2
95.04971	5.1
95.08603	3.1
97.02889	11.5
97.06516	3.0
97.30466	1.4
99.04456	6.8
99.08116	2.5
102.58181	1.2
105.01870	12.2
105.07064	9.3
107.04910	2.5
107.08591	15.7
109.02885	10.0
109.06521	5.4
109.10170	5.3
111.04455	4.7
115.07535	1.8
117.01858	2.8
117.07040	1.5
119.08580	7.9
121.06506	4.6
121.10136	14.3
123.08061	2.1
123.11697	1.8
125.05976	2.0
126.30290	1.2
127.03910	15.8
129.01782	1.6
129.07007	3.0
131.08563	26.4
133.10127	13.6
135.08020	1.9
135.11673	6.8
137.09636	2.4
145.02878	1.5
145.04979	7.7
145.10123	14.6
147.08064	1.8
147.11644	2.1
149.09615	21.1
149.13234	2.7
151.11203	3.0
153.05359	1.6
153.09119	2.7
158.10864	2.5
159.02905	5.6
163.11185	8.7
163.14810	6.8
165.09114	3.5
165.12718	1.2
166.37169	1.2
167.10660	11.1
167.14348	2.9
173.09596	3.1
173.13222	12.2
175.14812	1.5
177.05472	5.7
181.05003	1.9
191.10672	31.2
191.14279	7.5
209.11713	41.7
209.15329	18.2
213.03938	1.5
227.12766	100.0
228.13168	3.4
231.05063	3.6
251.44051	1.3
262.12958	1.2
287.05588	1.8
388.81812	1.4
432.18213	2.4
492.20184	3.2
492.31845	1.7
510.42484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
55.05490	1.3
55.61265	0.9
67.05491	1.8
69.03417	1.8
69.07069	3.3
69.54631	3.4
70.06580	2.1
71.04980	6.0
73.02901	1.4
79.05481	8.3
81.03395	1.1
83.04957	1.0
84.04527	0.9
85.02906	2.2
85.06541	2.1
87.04460	10.0
89.06017	3.4
91.05477	7.1
93.07035	8.2
95.04957	2.5
97.06537	1.4
98.23380	2.0
105.07010	7.0
107.04955	4.1
107.08591	14.2
109.06496	1.8
113.05989	2.0
117.07020	1.8
119.08574	3.1
120.08109	1.3
121.06509	13.1
121.10163	7.4
124.81002	0.8
125.06024	1.2
127.03889	1.4
129.07007	1.4
130.07751	0.8
131.08563	65.5
132.08926	1.1
133.08653	1.8
135.08055	1.4
135.11694	1.9
145.10130	14.0
147.08054	1.3
147.11674	1.4
149.05988	2.0
149.09615	29.9
153.05458	3.3
163.11177	10.9
165.09122	2.2
167.10666	1.8
173.09634	1.9
191.10661	22.2
209.11716	100.0
210.12045	2.6
227.12798	1.9
256.52606	0.9
288.05936	1.1
416.86829	1.0
492.28113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05529	3.3
57.07076	6.1
67.05504	9.1
68.27869	3.5
69.03408	9.2
69.07068	4.8
69.24109	16.1
73.02901	4.1
74.71983	3.6
75.73918	3.1
79.05487	63.7
81.03401	11.4
81.07053	18.5
85.02895	24.7
87.00824	14.8
87.04481	16.0
91.05482	12.2
93.07031	61.4
93.65952	3.2
95.04985	3.7
95.08582	3.9
97.02890	10.7
99.04432	5.9
104.94999	3.6
105.01859	12.1
107.08567	30.8
108.84845	3.4
109.02832	8.7
117.06983	5.8
121.10117	4.4
127.03887	14.1
131.08505	3.6
133.10045	8.5
133.91087	3.3
135.08044	3.3
135.11679	83.0
137.90091	3.7
139.07535	13.4
145.05008	3.7
149.13240	52.0
153.09018	9.0
156.62846	3.3
159.02852	6.8
159.11682	6.0
177.12730	39.5
209.15361	100.0
227.16437	35.8
231.04968	4.9
451.38211	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12898	3.3
55.01873	3.6
55.05506	7.7
57.03437	4.8
57.07068	3.3
57.89494	2.5
58.48167	2.4
67.05499	3.8
68.99771	2.6
69.03425	18.7
69.07068	8.6
70.37346	5.1
71.04984	6.6
72.08158	4.9
73.02911	4.2
77.33215	2.5
79.05483	6.5
81.03409	13.5
81.07057	7.7
83.04964	3.1
83.08624	8.5
85.02893	40.7
85.06509	3.7
86.09698	5.9
86.21994	2.5
87.00828	15.3
91.05482	8.1
93.07047	11.6
95.04967	21.1
95.08601	11.0
97.02905	15.2
97.06520	29.5
99.04462	8.9
105.01842	17.6
105.07014	13.6
107.08587	17.6
109.02878	13.2
109.06505	29.8
109.10133	7.7
111.08070	5.2
119.08564	17.7
121.10152	21.6
123.08057	7.7
123.82135	2.6
124.03990	8.3
127.03905	19.9
127.44512	2.6
131.08539	8.5
133.10123	33.9
135.08076	8.8
135.11641	6.0
138.45065	3.2
145.04947	8.8
145.10130	3.4
147.11679	38.0
149.13243	5.3
151.11229	3.1
153.09096	25.1
159.02924	4.1
159.40123	2.7
163.14822	6.3
165.12784	17.9
173.13275	17.5
191.14302	38.3
209.15361	100.0
227.10265	3.1
227.16414	77.2
228.16684	3.4
231.04903	6.0
288.05716	4.9
301.07196	4.4
331.18903	3.2
492.30978	17.7
493.16714	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69252	0.5
53.03928	1.6
55.01857	1.9
55.05501	1.4
55.63565	0.5
57.03428	3.6
57.07063	0.6
59.04993	1.1
61.02921	1.6
61.37906	0.5
67.05491	2.2
68.99788	0.8
69.03426	8.5
69.07071	2.8
69.36958	1.6
71.05000	2.6
73.02911	1.4
75.04443	0.5
79.05457	1.2
79.08222	0.5
81.03410	6.9
81.07047	2.8
83.04988	2.9
83.08614	2.2
85.02902	15.5
85.06521	1.4
87.00822	7.4
91.05467	1.0
93.07041	2.8
95.04945	0.9
95.08591	3.2
97.02886	6.2
97.06538	0.8
99.04443	2.3
99.08076	0.6
105.01852	5.7
105.07026	1.6
107.08590	12.9
109.02867	6.1
109.06506	1.5
109.10151	11.7
111.08052	1.7
117.01809	0.9
119.08580	1.3
120.51967	0.5
121.02867	2.7
121.06504	1.1
121.10142	10.4
123.08059	1.2
123.11687	1.9
125.09618	2.9
127.03914	8.5
129.01802	0.6
129.09116	0.9
131.08545	1.6
131.57484	0.6
133.10144	3.0
135.04414	0.7
135.08047	3.0
135.11729	2.7
137.09621	8.0
139.07545	0.9
139.11182	1.5
143.10712	0.7
145.04927	3.9
145.10127	1.1
147.11646	1.9
149.09581	1.5
149.13258	7.8
151.03845	0.5
151.11168	13.8
153.01823	1.8
153.09091	1.2
153.12718	0.8
158.10956	1.2
159.02884	2.8
163.03882	2.2
163.14824	8.5
165.12704	0.7
169.12212	4.2
173.13245	8.5
191.14296	30.4
192.14674	0.8
199.02435	0.6
209.15347	18.8
210.15561	0.6
213.03932	1.1
227.16405	100.0
228.16672	2.7
231.04985	2.0
251.16263	0.6
257.04474	0.9
274.04761	1.2
285.03918	1.1
299.05447	1.5
302.04218	3.7
316.05658	1.7
316.08987	0.7
317.06522	11.6
331.08047	4.1
395.20630	1.0
439.19333	0.8
457.20239	1.3
493.09738	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01854	5.4
55.05511	4.7
55.83696	3.9
56.55954	4.1
57.03437	5.4
57.07098	3.8
67.05505	4.7
68.99786	3.8
69.03431	21.0
69.07074	3.9
69.15367	21.4
69.39705	3.8
70.06593	8.3
72.08144	15.9
73.02910	4.9
79.05489	12.3
81.03413	11.9
81.07040	13.9
83.04977	11.0
85.02898	38.8
87.00824	12.1
91.05456	11.8
93.07040	16.3
95.04958	17.0
95.08624	4.7
97.02905	20.9
97.06534	9.1
98.97591	11.6
99.04461	10.8
102.14195	3.9
105.01828	19.1
105.07023	21.9
107.08583	57.9
109.02885	19.6
109.06517	26.8
109.10139	11.2
119.08549	11.5
120.08144	7.1
121.10101	23.0
123.08071	5.5
127.03899	30.5
129.01820	5.6
131.08569	21.5
133.09166	9.0
133.10115	100.0
135.08093	5.6
135.11671	4.8
139.11183	6.2
145.05017	5.4
145.10072	9.4
147.11778	7.1
149.13266	15.5
153.09148	8.9
159.02924	4.9
163.14854	7.9
167.07039	6.0
173.13254	39.0
177.16646	4.2
180.49260	4.1
191.14301	77.6
209.11729	9.8
209.15277	25.8
219.01683	8.4
231.05034	5.7
237.02872	7.9
252.62320	5.3
290.05856	5.1
319.10660	11.4
334.80856	4.1
364.15848	5.9
433.13800	22.3
510.49020	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	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80035	1.4
53.03951	5.0
55.01869	5.5
55.05499	4.2
57.03438	4.7
57.07073	7.2
61.02910	3.0
67.05503	10.2
69.02024	1.9
69.03423	18.3
69.07069	4.6
70.30397	3.5
70.30721	1.9
72.02090	1.7
73.02905	4.4
74.72987	1.4
75.04485	4.6
79.05487	71.4
81.03410	19.4
81.07047	21.5
85.02899	45.1
87.00819	22.1
88.45192	1.7
91.03924	2.4
91.05473	13.7
93.07039	78.3
95.04961	8.8
95.08582	9.4
97.02891	15.0
97.06538	4.6
99.04441	7.0
105.01863	23.3
105.07027	7.0
107.04974	2.9
107.08592	42.3
109.02879	15.6
109.06514	3.4
113.00003	2.4
115.03975	2.2
117.07015	5.1
119.08581	3.7
121.06540	4.7
121.10133	8.1
123.08123	2.0
127.01587	4.0
127.03903	30.7
129.01852	2.2
131.08571	5.6
133.10138	16.2
135.08090	4.6
135.11685	100.0
139.07513	15.6
143.08540	1.6
145.04936	11.2
145.10109	3.1
147.11690	7.2
149.13248	56.6
153.03110	3.8
153.09076	8.2
155.08583	1.8
155.10675	5.4
157.10172	2.3
159.02896	6.7
159.11694	8.1
163.11198	2.7
169.10182	1.9
171.11699	2.8
173.13329	2.2
175.11140	2.3
177.12721	46.4
189.04015	2.2
189.12801	3.1
197.05736	2.1
197.13217	2.8
201.12810	2.2
205.12149	2.6
207.13737	1.8
209.15355	92.9
217.12250	3.5
221.15408	2.7
225.12671	2.8
231.05022	7.0
231.13797	2.7
234.95076	3.3
239.14314	2.9
243.13739	2.8
249.06036	4.0
249.14893	5.2
257.15289	2.1
267.13794	2.3
273.14536	2.0
285.14847	2.5
299.16727	4.3
303.15686	1.7
317.17380	4.2
395.20874	2.6
399.99374	1.7
421.18765	9.7
439.19577	4.6
492.16974	3.4
493.18359	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65209	3.4
55.01862	4.1
55.05494	8.0
57.93677	3.0
61.02915	5.0
67.01894	3.3
67.05482	12.4
69.03429	20.4
69.07095	3.9
70.55375	4.6
71.04975	8.8
73.02908	6.2
77.08176	3.1
78.50443	3.1
79.05485	9.9
81.03408	18.3
81.07043	14.1
83.04968	9.1
83.08620	5.4
85.02903	34.7
85.06544	40.2
87.00819	16.8
91.05473	8.1
93.07027	14.5
95.04958	13.6
95.08601	6.3
97.02881	13.4
97.06493	5.3
99.04446	14.0
99.08051	3.5
105.01858	16.7
105.07014	13.5
107.04918	4.2
107.08556	21.2
109.02863	7.5
109.06483	20.1
109.10123	14.7
111.04440	3.9
119.08556	11.9
121.06496	8.4
121.10123	22.8
123.08003	4.0
126.41868	3.1
127.03937	26.4
131.08549	34.8
132.01035	3.5
133.10075	17.6
135.08044	6.4
135.11723	4.1
139.11116	6.2
145.04903	11.6
145.10121	15.0
145.96848	3.1
147.11636	6.8
149.08543	4.9
149.09584	25.2
149.13319	6.3
151.11122	7.9
153.09090	11.4
159.02824	6.5
163.11130	8.9
167.07028	6.2
167.10655	12.4
167.14272	9.8
169.12572	3.3
173.13240	12.7
191.10648	28.0
191.14314	14.7
209.11708	50.4
209.15324	48.4
227.12764	100.0
227.16177	6.1
231.04959	6.0
307.22778	4.3
308.56903	3.6
324.05923	3.3
438.23297	3.9
459.12787	3.2
474.24991	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.5
55.05512	6.4
58.07939	4.2
58.98206	3.8
67.05500	6.3
69.03423	18.6
71.04993	6.9
71.43338	3.6
72.08152	7.2
75.35812	3.9
77.36574	3.6
79.05495	9.3
81.03419	16.6
81.07043	16.1
83.08618	5.5
85.02907	43.6
86.09699	7.0
87.00821	17.0
91.05489	12.2
93.07032	13.1
93.45828	4.4
95.04955	16.9
95.08607	13.4
97.02882	12.0
97.06515	17.8
98.22783	3.8
99.04452	9.6
105.01864	20.3
105.07043	20.6
106.02908	16.0
107.04935	5.2
107.08579	22.7
108.08135	7.0
109.02885	11.5
109.06516	35.7
109.10146	13.6
111.08080	3.9
115.07573	9.3
119.08566	10.9
120.08095	7.9
121.06522	11.6
121.10121	19.3
123.08065	9.0
124.03955	28.5
126.01087	6.7
127.03918	28.9
131.08534	15.8
133.10124	75.9
134.10509	4.0
135.08041	11.1
136.07555	7.2
137.05959	9.6
145.04903	6.2
145.10063	5.0
147.11658	32.6
149.13239	6.2
151.07544	9.7
151.28160	4.3
153.09073	14.5
153.84117	5.1
154.08653	31.7
159.02858	5.6
163.14963	5.9
165.12761	9.6
170.13298	3.5
173.13258	35.3
175.14828	4.8
187.87199	4.0
188.11479	4.2
189.07460	4.0
191.14304	56.8
209.15359	100.0
227.16423	96.1
268.08170	7.0
287.05542	7.5
287.12585	5.6
288.05756	12.8
301.07068	6.7
317.06482	14.6
331.08032	10.7
331.15314	5.4
364.25650	12.5
492.30649	70.9
493.25555	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01862	4.4
55.05505	2.2
57.03431	3.8
57.07070	8.5
57.09716	0.8
61.02922	1.8
64.41656	0.9
67.05500	6.9
69.03420	14.0
69.07055	3.5
69.67233	2.1
69.67618	1.9
71.04987	1.4
71.08617	1.0
73.02905	3.2
75.04480	5.9
75.92326	1.1
77.03921	1.0
79.05486	48.9
80.05824	1.0
81.03410	10.5
81.07054	12.7
82.79858	1.1
83.04967	1.2
85.02899	39.0
87.00826	18.8
89.06008	0.9
91.05473	10.7
93.07037	53.8
95.04947	3.0
95.08601	4.0
97.02882	12.4
97.06536	3.1
99.04449	4.1
104.31394	1.0
105.01859	17.8
105.04478	1.3
105.07018	3.1
107.04926	2.1
107.08585	31.8
109.02859	12.0
109.06500	0.9
111.08093	0.9
115.63698	0.8
117.01852	1.3
117.07011	3.6
119.08538	1.6
121.02777	0.9
121.10128	5.6
127.03909	27.5
129.01819	1.2
131.08522	2.3
133.08537	1.0
133.10121	11.7
135.08054	2.6
135.11679	90.2
136.12009	2.0
139.07530	12.3
141.09068	1.8
145.04977	9.9
147.02936	0.9
147.11507	1.0
149.13242	49.6
153.09056	5.3
159.02869	4.4
159.11644	4.7
167.14380	1.3
177.12735	40.0
189.03915	1.8
195.13797	3.1
209.15347	100.0
210.15674	2.3
227.16360	2.0
231.04991	7.3
248.17963	1.0
389.22015	1.0
492.16934	1.7
493.18439	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	492.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01059	1.0
51.89189	1.0
55.05286	1.1
55.05507	5.9
57.07078	2.0
67.05500	14.3
69.07071	10.5
69.35562	5.6
71.04991	1.6
79.05487	9.3
81.06617	2.1
81.07050	19.9
83.04966	4.0
83.08635	6.0
85.06519	2.4
89.06042	6.3
91.05465	12.5
93.07048	15.6
95.04950	1.8
95.08022	2.1
95.08598	25.6
97.06532	3.2
97.10164	3.7
98.98451	17.6
105.07027	28.2
107.08577	14.3
109.06477	1.7
109.10151	14.7
111.04481	7.5
111.11768	1.6
113.00013	29.3
114.00348	2.3
115.05487	1.5
117.07010	4.6
119.08569	45.1
119.09423	2.2
121.06469	2.8
121.10136	10.6
123.08078	2.3
123.11678	4.2
124.03956	3.4
125.05967	2.0
125.09628	1.3
127.01565	1.8
128.06203	2.3
129.06990	2.7
131.08549	11.2
133.06506	1.2
133.08589	2.8
133.10120	58.4
134.10498	1.1
135.08080	2.2
135.11717	6.6
137.09634	2.1
139.07562	2.4
141.06973	2.5
142.07764	2.1
142.19873	1.3
143.08554	7.9
144.09337	1.6
145.10106	20.5
147.08020	1.6
147.11671	16.9
149.09601	2.6
149.13312	2.3
153.09073	1.7
155.08592	3.5
156.09404	3.0
157.10123	9.8
159.11667	17.4
160.12500	1.5
161.13205	7.0
163.11246	1.9
165.06987	2.0
165.09117	2.5
167.08594	1.3
168.09332	1.6
169.10085	9.3
170.10948	3.6
171.11684	13.5
173.09610	1.7
173.13232	11.6
175.11285	1.4
175.14874	2.9
178.95064	5.3
179.10529	1.8
181.10101	2.9
182.10960	1.9
183.11694	12.9
184.12340	2.6
185.09573	1.5
185.13225	12.9
186.14003	1.8
187.11185	3.4
187.14735	6.5
189.16403	5.4
191.10666	2.8
192.96657	5.7
193.10101	1.8
193.12157	1.6
195.12265	12.7
196.12242	1.4
197.13263	15.5
199.11182	3.4
199.14786	11.7
201.12738	2.3
201.16379	10.8
203.10658	1.5
205.12210	3.6
209.11568	2.3
209.13295	3.0
211.11302	1.7
211.14812	8.0
213.16360	2.1
215.10712	2.2
217.12199	2.8
219.17358	1.3
221.13251	1.7
225.12808	3.2
225.16289	2.3
229.12231	5.4
230.90413	1.2
231.13776	2.2
237.16345	4.2
239.17897	11.1
243.13878	5.5
245.22684	1.7
253.19487	13.8
255.21127	2.7
257.15332	3.7
263.17850	1.7
263.23715	2.6
266.96631	3.7
271.20490	3.0
281.19067	9.5
287.20264	1.3
299.20029	100.0
300.20364	4.2
315.19601	6.7
317.21075	46.6
318.21469	2.5
323.02988	1.6
324.03137	2.1
359.22211	6.6
432.17398	1.3
492.29367	10.4
493.30228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02481	0.8
55.05503	1.1
65.03939	3.7
67.05497	8.8
69.07063	2.0
78.03434	1.6
79.05479	4.7
80.05001	3.0
81.07050	9.3
88.82079	1.0
91.05478	7.1
93.07051	8.7
95.04960	100.0
95.08576	5.8
96.04488	3.2
100.23837	0.8
105.07014	11.4
106.02916	3.9
107.08574	7.1
109.06508	5.9
109.10152	3.0
117.07025	1.8
119.08551	6.6
121.06503	2.6
121.10155	3.8
123.11655	1.5
124.03938	71.8
125.04340	0.9
130.07835	0.9
131.08565	5.0
133.10106	5.4
135.08026	2.6
135.11673	1.0
142.07732	1.2
143.08530	2.1
145.10117	6.4
147.11678	3.4
147.91713	1.0
149.09691	0.9
157.10089	2.1
159.11694	3.0
161.09581	1.9
161.13202	2.1
171.11705	2.2
173.13289	2.0
175.11166	1.0
185.13242	1.0
187.14864	1.3
197.13187	1.4
199.14867	1.2
201.16403	1.3
225.12756	1.4
237.16536	1.1
239.02504	0.9
272.76913	0.9
303.76721	0.8
351.26672	1.3
492.32004	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	492.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	16.1
57.07071	17.2
67.05498	40.4
69.03423	15.6
70.06574	31.0
79.05494	31.8
81.07043	58.4
83.04968	39.0
88.07603	33.8
91.05470	40.3
93.07043	57.4
95.04955	38.0
95.08596	37.4
95.43012	14.1
97.06565	15.1
102.09181	22.1
105.07027	99.7
107.08603	40.9
109.06453	15.9
109.10120	27.3
119.08585	62.2
121.10156	27.0
124.03942	34.3
131.08575	38.0
133.10121	35.9
135.08006	16.7
135.11658	18.5
143.08560	24.8
145.10135	39.5
147.04424	25.0
147.11691	41.9
157.10083	30.3
159.11720	41.7
171.02492	13.3
175.14777	18.4
197.13228	18.7
199.14865	14.8
201.16331	13.2
217.15749	17.6
219.06493	40.0
256.26340	41.8
263.09091	19.8
337.27197	29.8
367.53519	14.2
425.97223	12.4
427.76144	14.1
492.32648	100.0
517.10211	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	492.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	27.8
57.20198	8.8
67.05495	41.9
68.44395	11.7
69.07054	32.1
69.08514	23.4
69.08935	48.6
70.00027	11.3
70.74985	9.6
73.48199	9.3
79.05477	34.0
80.89938	10.0
81.07049	94.4
88.02190	19.9
90.85261	12.3
91.05463	39.1
93.07037	73.2
95.04944	14.6
95.08574	69.6
98.50002	9.1
99.42493	9.5
99.67091	8.6
102.00054	12.6
105.07015	90.1
107.08589	71.3
109.10142	40.8
117.06990	16.6
119.08585	100.0
120.61663	10.9
121.10159	46.4
123.11689	12.2
131.08549	20.1
133.10089	34.4
135.11639	35.1
142.11465	11.7
145.10095	31.4
147.11710	46.4
149.13263	11.8
154.56726	9.7
157.10161	24.9
159.11664	24.3
161.13269	16.4
171.11638	14.1
175.14833	17.3
185.13086	10.3
281.66718	9.9
497.17569	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	492.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01865	2.0
55.05511	18.8
57.07061	3.8
65.03940	3.2
67.05161	2.6
67.05502	40.7
69.07056	19.8
69.62038	7.2
71.04974	2.0
79.05485	30.5
81.07052	100.0
81.37651	1.6
83.08606	6.1
85.06538	5.0
91.05478	24.0
93.07035	61.5
94.29713	1.9
95.04977	9.1
95.05463	1.8
95.08601	52.4
97.06548	2.4
97.10146	2.5
105.04501	2.2
105.07024	51.6
106.54812	1.9
107.08588	66.6
109.06503	5.7
109.10147	46.5
111.08068	3.6
111.11730	2.6
117.07008	6.5
119.08573	53.8
121.10138	37.9
123.08052	2.6
123.11713	11.3
125.09609	3.3
129.06982	2.2
130.07782	2.5
131.08566	11.0
133.10141	24.8
135.11671	23.7
137.09657	2.9
137.13223	2.9
143.08557	6.5
145.10098	22.4
147.11656	23.8
148.17418	1.8
149.13246	24.9
151.11140	2.7
157.10069	8.4
159.11681	25.3
161.13223	15.3
163.14778	7.2
165.12764	3.0
169.10118	3.5
171.11673	4.9
173.13226	10.5
175.14769	12.5
185.13258	4.9
187.14810	9.8
189.16341	6.2
191.17853	2.8
193.15852	2.9
199.14812	6.7
201.16368	9.0
203.17950	7.9
211.14677	2.5
213.16380	4.8
215.17920	4.6
217.19463	2.8
225.16324	2.1
227.18004	4.3
229.19479	3.0
236.39799	1.9
247.61111	2.1
255.21156	4.0
269.22568	2.2
281.22714	1.8
337.28793	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	492.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71581	13.7
70.61957	29.0
71.79472	14.2
73.73473	13.7
81.07060	33.0
81.20689	13.0
81.79082	14.8
91.05534	18.9
93.07042	21.7
95.04959	100.0
95.08583	27.3
105.07044	32.9
107.08625	23.8
109.10143	14.8
114.48432	14.4
119.08574	26.5
121.10132	18.9
124.03961	76.2
135.11707	18.8
141.99753	12.6
147.11626	18.2
181.95972	13.6
213.16476	12.7
232.63477	15.0
254.71964	15.1
269.15887	12.6
405.88766	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	493.0978
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
52.17405	0.2
55.01853	0.4
55.05468	0.2
57.02766	0.2
57.03039	0.2
57.03407	0.4
60.51337	0.2
67.05489	0.3
67.24785	0.2
68.99783	0.3
69.03392	0.5
70.06553	0.2
71.01332	0.4
71.04955	0.2
72.08118	0.2
73.02876	0.5
79.05453	0.5
81.03365	0.4
83.04929	0.2
84.02114	0.3
85.02906	1.6
85.06483	0.3
86.03243	0.2
91.05446	0.4
95.04955	0.2
96.04482	0.2
97.02851	0.4
99.00808	0.5
100.07555	0.2
101.02325	0.2
105.06993	0.6
107.04957	1.5
107.08563	0.4
107.98634	0.2
109.02850	0.3
109.06477	0.4
109.10088	0.3
112.01564	0.6
113.02291	0.2
121.10078	0.2
123.00734	0.2
127.00185	0.5
127.03845	0.5
131.04932	0.2
131.08554	0.3
133.06503	0.4
133.10072	0.4
134.03618	0.5
135.04378	1.4
135.07993	0.4
137.02296	0.7
140.01028	1.3
141.01785	0.5
151.03850	0.5
153.01862	0.2
157.10100	0.3
159.03040	0.2
161.05948	0.5
161.09538	0.2
168.00546	7.7
169.01320	1.9
173.05898	0.2
175.06085	0.2
177.05548	0.2
180.06480	0.5
181.04944	0.2
181.06786	0.2
183.02887	14.1
184.03143	0.3
186.01602	5.0
187.03813	0.2
193.08524	0.4
209.11739	0.3
227.12759	0.5
228.13087	0.3
271.02347	0.4
271.06281	0.2
274.04678	1.0
284.03204	1.1
285.03931	0.5
299.01831	0.6
299.05316	0.2
301.03497	1.0
302.04184	26.1
303.04587	1.4
304.16092	0.2
313.18097	0.3
316.05862	0.4
317.06534	100.0
318.06876	4.0
331.08029	0.5
331.19107	0.3
359.07501	0.4
492.31873	0.6
493.09753	22.7
494.10071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0974
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
55.01839	0.3
63.77582	0.2
68.99775	0.4
70.89301	0.3
72.52193	0.3
76.48658	0.2
76.59560	0.3
84.02074	0.4
84.40234	0.2
85.02852	0.3
97.29139	0.3
99.00773	0.3
107.04879	0.8
110.03490	0.5
112.01530	1.1
127.00227	0.9
134.03548	0.8
135.04352	0.8
137.02306	0.5
140.01024	2.2
150.89122	0.3
151.03801	0.3
156.08122	0.2
162.06125	0.2
168.00534	12.1
169.01311	2.5
180.08783	5.4
181.09195	1.6
183.02879	2.0
186.01573	5.3
274.04614	2.3
284.03152	1.3
285.03827	1.0
301.03415	1.0
302.04175	45.2
303.04578	1.2
317.06525	100.0
318.06903	3.1
331.08218	0.4
493.09924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0976
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
55.01841	0.1
55.62226	0.1
59.81410	0.1
65.29331	0.1
70.09943	0.1
70.10268	0.3
72.08128	0.2
79.05456	0.2
79.12829	0.1
86.09683	0.2
103.05438	0.2
105.07034	1.8
112.01498	0.2
112.85777	0.1
115.05423	0.3
118.04146	0.1
120.08076	0.2
131.04819	0.1
133.06497	1.6
134.03531	0.2
135.04396	0.3
136.05154	0.3
137.02350	0.8
137.05894	0.4
139.00302	0.1
140.00990	0.4
143.05963	0.2
144.05579	0.2
151.03897	1.1
161.04683	0.3
161.05963	3.4
163.03885	0.3
168.00520	1.6
176.04631	0.4
186.01534	0.8
187.03954	0.3
193.08577	2.2
200.04648	0.4
203.03265	0.2
211.03894	2.1
228.04027	0.2
229.04848	0.3
250.04686	0.3
256.03714	0.6
273.03955	0.4
274.04688	0.9
275.62030	0.1
284.03104	0.6
301.03323	1.3
302.04178	70.2
303.04504	2.9
316.01981	0.4
317.06522	100.0
318.06876	4.4
467.28717	0.1
493.09967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0976
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
51.93716	0.2
59.49559	0.2
62.39788	0.2
68.85996	0.3
68.99801	0.3
69.41338	1.0
72.08139	0.5
81.65504	0.3
85.02905	0.7
86.09680	0.3
91.05441	0.5
94.70911	0.2
105.06979	0.4
107.04988	0.4
116.79980	0.3
119.05002	0.7
120.08074	0.3
121.02859	2.9
121.16306	0.3
127.03915	0.3
143.39679	0.3
147.04420	0.6
156.00520	1.0
184.00017	6.8
199.02405	1.9
202.01079	12.1
210.83125	0.3
227.16466	0.4
228.04179	0.5
261.81903	0.3
287.05453	0.3
297.04028	0.3
302.04190	54.3
303.04578	2.0
317.06537	100.0
318.06866	4.0
331.07907	0.4
353.03058	0.5
371.03961	1.0
416.55157	0.3
492.30444	0.7
493.09402	0.5
493.16022	1.0
493.29675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0978
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
56.07476	0.3
57.35584	0.4
68.99773	0.4
69.03401	1.0
69.56876	1.4
79.58715	0.4
85.02885	1.1
89.38910	0.3
91.05485	0.7
98.23336	0.7
117.03344	0.5
119.04863	0.6
121.02862	8.5
127.03874	0.6
135.04427	2.0
139.00258	1.9
145.02853	1.7
149.06001	0.5
151.03880	0.9
151.07498	0.5
153.00674	0.5
153.01810	5.0
155.03282	0.5
163.03896	11.9
166.99716	1.4
168.00540	0.6
169.01314	2.6
186.01573	0.4
199.02371	2.7
228.04095	0.4
239.03412	1.8
245.04449	1.0
257.04382	1.9
270.05164	2.7
271.06003	2.9
273.03854	1.2
274.04697	14.3
275.04892	0.6
277.10629	0.4
285.03934	3.7
287.05228	0.7
298.04727	2.4
299.05472	10.3
300.05951	0.5
301.03427	2.3
301.06693	0.7
302.04190	34.3
303.04556	1.1
315.04892	0.8
316.05762	15.6
317.06522	100.0
318.06876	3.1
331.08096	31.1
332.08371	0.8
475.08813	0.8
493.09726	14.3
493.16913	0.7
494.09885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16954	0.8
53.61727	0.9
57.65190	0.8
58.04215	0.8
58.61486	0.8
59.99846	0.8
67.51585	0.9
69.19688	2.6
69.20095	2.1
73.02900	3.2
74.01470	0.8
80.05515	1.6
83.86562	0.9
87.04465	23.6
89.06031	11.8
96.94978	0.8
98.23460	1.4
102.06824	1.3
109.77770	0.8
114.87569	1.0
122.42120	0.8
131.07094	1.1
133.08606	5.5
167.03078	1.2
171.00513	3.0
177.11186	1.6
219.12234	0.9
221.13815	1.2
227.05348	1.3
245.07843	100.0
246.08131	3.8
271.04236	21.7
271.07166	1.2
300.21033	0.9
317.21176	0.8
328.32681	0.9
449.14084	6.8
493.12961	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
50.40425	0.7
53.03930	0.8
63.76519	0.8
65.03291	0.9
69.03429	1.2
69.32974	4.4
70.98041	0.7
78.51691	1.0
79.05502	1.1
81.03426	2.9
82.51393	0.8
85.02905	3.6
89.03918	10.8
91.05463	1.5
97.02908	2.2
103.05472	1.3
104.76874	0.9
105.07057	1.1
107.04985	1.9
108.02082	1.5
109.02903	0.9
117.03380	21.8
119.04964	1.0
121.02856	3.9
131.04929	1.0
134.03656	2.9
135.04398	9.1
136.01558	1.0
137.06032	1.3
145.02843	44.2
149.05975	5.9
151.07510	1.3
153.01839	2.3
161.05960	1.0
163.03900	38.1
165.05507	1.7
165.09093	1.7
166.99788	0.9
175.07562	1.1
177.05463	81.5
178.05798	1.9
181.01350	1.0
189.09079	0.9
193.08612	1.0
197.04367	1.2
242.05731	1.4
257.04285	1.0
259.09534	1.0
266.81781	0.9
270.05222	18.9
273.03967	1.1
277.10822	0.9
285.03961	1.3
287.05475	3.2
298.04706	17.1
299.05484	4.1
301.03397	6.2
302.04099	5.2
315.04999	3.4
316.05768	10.0
317.06537	24.6
321.09665	1.4
326.39011	0.9
331.08096	100.0
332.08408	2.6
339.10614	1.5
395.55673	0.9
493.13208	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40425	0.7
53.03930	0.8
63.76519	0.8
65.03291	0.9
69.03429	1.2
69.32974	4.4
70.98041	0.7
78.51691	1.0
79.05502	1.1
81.03426	2.9
82.51393	0.8
85.02905	3.6
89.03918	10.8
91.05463	1.5
97.02908	2.2
103.05472	1.3
104.76874	0.9
105.07057	1.1
107.04985	1.9
108.02082	1.5
109.02903	0.9
117.03380	21.8
119.04964	1.0
121.02856	3.9
131.04929	1.0
134.03656	2.9
135.04398	9.1
136.01558	1.0
137.06032	1.3
145.02843	44.2
149.05975	5.9
151.07510	1.3
153.01839	2.3
161.05960	1.0
163.03900	38.1
165.05507	1.7
165.09093	1.7
166.99788	0.9
175.07562	1.1
177.05463	81.5
178.05798	1.9
181.01350	1.0
189.09079	0.9
193.08612	1.0
197.04367	1.2
242.05731	1.4
257.04285	1.0
259.09534	1.0
266.81781	0.9
270.05222	18.9
273.03967	1.1
277.10822	0.9
285.03961	1.3
287.05475	3.2
298.04706	17.1
299.05484	4.1
301.03397	6.2
302.04099	5.2
315.04999	3.4
316.05768	10.0
317.06537	24.6
321.09665	1.4
326.39011	0.9
331.08096	100.0
332.08408	2.6
339.10614	1.5
395.55673	0.9
493.13208	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1338
Annotation	Eupalitin 3-glucoside
Peak:m/z	Relative Intensity
51.42319	0.8
61.53904	0.7
62.30413	0.7
69.03432	1.0
69.11881	3.8
85.02895	3.1
97.02888	1.1
107.04939	1.1
121.02853	1.9
134.03629	1.9
152.01012	1.0
154.02516	1.0
184.00017	8.0
197.04462	3.7
199.02463	1.5
202.01085	8.9
269.04401	2.2
270.05258	8.8
287.05499	6.7
297.03842	1.3
298.04755	10.0
299.05322	1.4
302.04184	52.1
303.04520	2.3
315.04968	5.4
316.05795	10.6
317.06531	100.0
317.34131	0.8
318.06876	5.1
331.08081	89.3
332.08328	3.5
430.64841	0.8
507.49744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.10918	0.3
57.03465	0.3
61.02930	0.5
69.03426	1.1
71.22683	0.4
81.03430	0.5
82.82471	0.3
82.97673	0.4
85.02920	2.3
89.03912	0.4
97.02879	0.9
98.07144	0.3
121.02863	3.2
127.03881	0.6
131.04970	0.3
132.69551	0.3
134.03633	0.7
135.04382	0.7
136.01537	0.5
137.02333	0.7
139.00279	0.9
145.02815	0.3
152.01082	0.3
153.01767	1.6
154.02635	0.5
163.03879	2.4
166.99725	0.4
171.02901	0.3
181.01302	0.9
186.06740	0.4
197.04517	1.2
199.02370	0.7
242.05760	1.0
257.04532	1.0
269.04520	0.5
270.05222	20.5
271.05826	1.5
273.03958	1.1
285.03891	1.5
286.04712	0.8
287.05472	5.5
298.04724	20.2
299.05460	4.6
300.06070	0.5
301.03433	0.8
302.04114	0.9
315.04935	5.4
316.05771	11.2
317.06558	7.1
331.08115	100.0
332.08490	4.6
475.08475	0.3
493.09842	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
56.93256	0.3
71.43180	0.4
74.21001	0.3
81.03412	0.8
85.02924	0.5
91.05467	0.7
103.03151	0.3
108.02082	2.8
118.62151	0.3
127.03940	0.4
130.21643	0.3
134.03603	1.8
135.04404	1.9
136.01541	1.8
137.02342	1.1
145.10149	0.3
151.07568	0.4
154.02629	2.2
168.05714	0.6
186.06744	0.7
187.14891	0.3
197.05971	0.3
214.06363	0.5
242.05777	2.9
270.05215	26.4
271.05551	1.1
273.03983	0.5
281.26968	0.3
286.04764	0.4
287.05466	1.3
298.04709	21.8
299.05225	0.9
301.03464	0.5
313.07007	0.4
315.05081	1.5
315.19568	0.4
316.05734	9.1
317.06421	0.6
331.08093	100.0
332.08432	3.5
493.13235	4.8
493.27505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10535	1.0
53.03952	2.2
55.01876	2.8
57.03428	3.4
58.55655	0.9
61.01147	3.3
61.02926	4.3
65.00632	3.9
65.03935	3.8
67.05499	1.9
69.03430	67.8
70.06586	3.7
70.23370	1.0
70.38291	1.9
70.38628	1.4
71.04993	7.0
75.02718	6.0
75.86361	0.9
81.03425	8.5
82.04195	0.9
82.51162	0.8
82.69902	0.8
85.02901	5.5
87.02686	5.2
93.03407	3.0
97.02898	4.2
99.04451	6.3
103.02182	2.3
108.02093	1.6
108.15593	0.9
109.02908	2.7
111.04430	4.5
115.02177	4.0
115.03951	1.1
117.03734	1.6
117.11404	0.9
125.06014	3.6
127.03946	1.3
129.05457	1.4
133.03181	15.8
141.05489	2.9
145.03203	3.0
151.03909	100.0
151.05002	8.6
152.04268	3.5
163.04240	27.1
163.76364	1.1
169.04956	9.1
181.05286	72.1
205.06866	0.9
245.09108	1.0
295.08203	4.6
313.09207	4.4
313.12619	1.2
314.10355	2.3
317.02969	0.9
317.06610	3.3
331.13004	1.2
343.27261	1.0
493.17905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39534	1.8
55.01867	5.3
57.03430	4.8
60.05642	3.2
61.02931	3.8
68.99809	2.3
69.03424	7.4
71.18207	1.9
71.18574	2.4
81.03415	7.9
85.02904	32.7
91.05505	2.3
97.02889	6.7
99.47025	2.1
103.03967	2.8
104.77090	2.2
109.02882	9.2
111.04436	2.0
114.16748	2.2
115.87902	1.9
119.04946	2.7
121.02798	3.1
123.04414	9.4
127.03914	7.6
145.05008	2.1
147.04414	11.7
151.03906	39.3
151.05045	4.1
161.05963	2.6
163.03883	13.7
165.05484	12.7
169.04964	24.0
171.04262	2.4
175.03914	10.0
177.05443	2.0
181.04942	47.0
187.03909	5.7
189.05473	8.4
193.04951	100.0
201.05397	2.5
205.04890	11.6
207.06528	21.4
211.06007	74.7
212.06334	2.3
213.05481	4.2
217.04961	6.8
223.06084	3.0
229.04997	10.5
231.06544	5.6
235.06004	77.8
241.04941	5.4
247.06021	61.2
248.06276	2.5
249.07681	2.5
252.42714	2.0
259.06046	36.3
259.08630	4.3
265.06992	17.7
277.07126	30.6
289.07034	5.1
295.08087	22.5
301.07080	5.3
307.08139	3.8
313.09335	21.7
322.43274	2.3
325.09250	4.8
331.10294	10.7
373.09378	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	493.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	4.8
55.01856	5.4
60.05645	4.4
65.03931	4.6
66.49011	3.8
67.05492	4.9
69.03416	9.6
69.43037	17.7
70.06588	31.2
71.04988	11.6
72.08138	5.6
81.03406	8.4
85.02894	14.8
89.16521	3.9
95.38181	4.7
97.02869	6.0
98.22758	9.2
107.04959	6.8
109.02859	10.4
111.04437	4.0
112.08730	7.3
115.47247	4.6
119.04920	5.8
121.02881	7.4
122.05943	5.2
124.03936	10.1
125.09619	4.0
126.01819	4.6
131.04977	5.8
133.68579	4.0
135.04445	4.7
139.03973	4.0
147.04401	7.6
148.65401	4.0
151.03894	100.0
151.04941	5.9
152.04311	4.7
163.03854	9.7
166.05020	7.1
169.04884	9.3
171.04424	5.6
175.03874	12.7
177.05446	4.7
181.05003	7.7
185.05978	6.5
187.03918	13.8
189.05472	10.3
193.04962	14.3
198.79710	4.3
201.05418	7.3
205.04857	20.9
207.06540	5.2
213.05385	10.7
214.17989	12.7
217.04935	10.4
219.02922	4.2
219.06496	10.5
221.04381	7.8
223.06007	19.9
229.04948	4.6
231.06505	11.0
235.05998	21.7
243.06602	5.8
247.06030	27.5
253.04852	5.3
255.06508	5.5
259.06006	34.6
271.02454	9.9
271.05899	10.8
271.10278	23.1
273.07553	7.2
277.07074	25.1
283.05984	11.4
285.07632	6.5
289.07040	34.3
299.01862	10.1
301.06915	20.0
307.08173	7.9
313.07004	13.0
317.02921	7.0
317.06412	7.5
319.08044	11.7
325.09116	19.0
331.08008	12.7
337.09039	7.5
343.08041	22.7
355.07831	8.1
361.09125	14.0
373.08978	11.2
379.10306	8.8
385.08954	6.0
391.10229	14.0
403.10159	9.4
421.11478	7.7
439.12180	6.3
441.28568	5.1
449.16699	9.1
457.13278	14.9
475.14606	17.0
487.85306	4.9
493.16580	40.1
493.31348	11.8
494.17151	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16674	1.3
65.03922	2.4
69.03413	1.9
71.28007	1.4
71.43485	1.9
72.08109	1.8
81.03422	2.1
85.02892	2.7
97.02858	1.6
123.04424	1.4
141.05458	2.3
151.03905	100.0
151.04982	7.4
152.04242	1.7
169.04938	3.1
271.02347	2.4
295.08197	2.7
313.09195	7.7
437.31723	1.6
442.20267	1.6
493.18484	3.4
514.05231	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	493.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01865	0.7
57.03403	0.5
65.03937	3.0
67.05495	1.6
69.03433	2.0
70.06576	0.4
70.44183	0.4
71.13759	0.5
72.08147	1.1
77.01771	0.4
79.05488	0.5
81.03413	4.9
85.02910	2.2
86.65591	0.4
91.61620	0.4
93.03395	1.6
95.04958	0.9
97.02907	2.5
99.04494	0.7
105.04506	0.5
108.02103	1.7
109.02870	2.1
110.03680	0.7
111.04446	4.2
124.11318	0.5
125.05997	3.7
125.09634	1.9
125.15431	0.4
127.03909	1.0
137.05989	1.3
141.05478	2.5
151.03912	100.0
151.04999	7.4
152.04230	2.0
163.30717	0.4
169.04968	9.9
211.09685	0.8
260.56827	0.4
295.08109	5.8
313.09106	4.7
354.30368	0.4
492.32990	1.2
493.33099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16365	1.5
53.03984	1.4
54.01235	1.6
61.41183	1.4
69.03412	2.0
71.42310	1.4
73.02886	1.3
75.20557	1.4
79.77754	1.9
81.03410	4.3
85.02907	3.7
89.03911	17.6
91.05473	3.2
97.02878	1.5
107.04939	2.8
109.02868	3.2
117.03370	34.4
117.04198	2.1
121.02865	5.5
133.10141	1.8
134.03632	3.6
135.04410	19.3
137.05971	3.5
139.00169	1.8
145.02835	57.4
147.04332	1.8
149.05960	6.2
151.07552	4.3
153.01845	3.8
161.05943	1.7
163.03891	100.0
164.04172	2.7
165.09053	2.4
166.16196	1.6
171.08041	1.5
177.05455	84.8
178.05751	1.6
179.06937	2.8
181.04942	3.0
181.06409	1.6
199.02356	1.8
224.30545	1.4
231.10255	2.5
257.04474	1.7
259.09665	3.0
270.05219	16.0
271.05881	3.3
277.10672	3.5
287.05463	1.7
298.04724	17.2
299.05472	5.6
301.03372	5.0
302.04199	4.3
315.04883	2.8
316.05743	10.8
317.06516	26.4
321.09708	2.0
331.08090	87.2
332.08331	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	493.1831
Annotation	Aglafoline
Peak:m/z	Relative Intensity
51.83635	0.7
67.05503	0.7
69.58474	1.2
69.58867	1.3
71.98440	0.5
76.10266	0.7
76.67015	0.5
79.05508	1.0
81.07063	0.8
93.58317	0.7
98.23476	1.2
101.00333	0.6
105.07004	1.0
127.01602	1.4
137.05949	0.8
145.10127	0.7
261.23111	0.7
301.14160	2.2
329.13544	1.2
347.11050	1.3
355.11514	3.1
373.12552	33.1
374.13010	1.2
391.13727	2.0
421.19702	1.2
423.17755	2.2
475.17099	1.0
492.40808	1.2
493.18307	100.0
494.18665	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	493.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92021	0.4
56.01661	0.5
61.27976	0.5
62.35896	0.6
67.05508	1.4
69.49255	1.7
69.49672	0.8
79.05493	0.7
81.03420	0.8
81.07070	1.2
91.05490	1.0
91.89944	0.5
93.07040	0.8
95.04955	0.7
99.16019	0.5
104.99914	0.5
105.07029	0.9
108.13770	0.6
109.10043	0.5
117.07063	0.6
127.01623	0.8
145.10201	0.7
150.91202	0.6
163.11256	0.8
279.97495	0.6
301.14182	0.9
329.13428	0.8
347.10898	2.7
355.11502	2.4
373.12552	58.6
374.12958	2.6
391.13510	1.2
407.91180	0.6
423.17572	1.4
447.18060	0.6
475.17206	1.7
492.41013	0.7
493.18298	100.0
494.18457	5.1
509.74585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2434
Annotation	Lungshengenin A
Peak:m/z	Relative Intensity
55.05507	6.7
57.07052	1.9
63.23634	1.5
63.34486	1.4
67.05501	4.8
67.62319	1.1
69.03419	1.7
69.07059	3.5
69.16937	8.1
70.25269	1.3
72.08152	46.1
79.05492	5.3
81.03416	6.3
81.07052	5.6
83.04943	1.6
86.83583	1.2
91.05453	8.2
93.03425	1.3
93.07040	9.2
95.04984	3.9
95.08585	5.0
98.22672	2.9
103.05489	3.8
105.07008	11.4
107.08595	6.4
109.06510	2.3
109.10162	3.3
111.04427	3.9
117.07058	3.5
119.08570	16.8
120.08096	100.0
121.06510	1.8
121.08439	2.3
121.10140	5.1
123.08013	1.9
124.03948	2.5
125.06001	1.9
127.03896	3.7
129.07028	3.7
131.08578	7.0
132.78947	1.4
133.06505	1.5
133.10114	8.7
135.08099	3.1
137.05991	2.0
141.07016	2.1
142.07788	2.5
143.08556	7.8
145.10117	14.6
147.08078	2.1
147.11722	4.4
149.09634	2.6
151.07556	1.3
155.08536	5.1
156.09325	2.4
157.10115	10.1
159.07982	1.9
159.11678	7.8
160.12456	1.9
161.09636	1.7
161.13292	1.5
163.11124	1.5
167.08530	2.7
169.10124	7.8
170.10938	3.9
171.11748	8.2
171.14920	8.5
173.09586	2.4
173.13251	5.9
174.12730	2.5
175.11133	1.3
175.47925	1.4
181.10104	2.9
182.10919	2.3
183.11697	10.0
185.13269	5.1
187.11169	2.5
187.14780	12.1
188.11981	2.4
188.15492	1.5
189.12717	2.1
193.10094	2.3
194.10905	2.7
195.11658	2.7
196.12457	1.9
197.09674	2.5
197.13222	8.3
198.14073	5.2
199.14421	6.3
201.12662	2.3
203.14325	5.4
205.15982	2.4
207.11688	4.1
209.13264	3.6
211.11119	1.9
211.14810	3.6
213.16435	1.5
215.14291	4.4
216.15155	2.3
219.14949	15.8
220.12436	2.5
221.13211	2.4
223.11230	1.9
225.12727	2.8
225.16287	2.2
234.13959	3.1
235.14693	2.8
239.17850	2.2
247.14392	20.1
247.16774	2.2
249.16475	5.0
253.12164	2.4
257.15384	1.6
267.14801	6.2
267.17484	4.6
271.16910	1.8
273.19550	1.8
277.15784	3.2
285.18509	4.6
295.13995	10.0
295.17172	18.6
296.17429	1.9
301.19147	3.3
303.49704	1.3
313.17944	30.4
314.18130	1.8
331.19064	5.0
346.21222	5.5
349.19080	1.8
373.20053	4.1
394.21115	5.4
493.22003	28.2
493.29050	1.2
493.32410	1.6
494.22217	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86075	0.8
55.05507	4.1
55.05714	0.7
59.20395	0.8
63.09980	0.6
67.05489	1.8
71.43668	0.8
72.08148	44.7
79.05474	1.5
81.03442	0.7
81.07051	1.5
81.81467	0.6
83.20714	0.9
91.05473	2.9
93.07033	2.4
95.04946	1.0
95.08582	2.3
96.00269	0.7
97.06550	1.0
103.05446	2.2
104.10697	0.7
105.07005	1.8
107.08581	2.5
109.10141	0.7
111.77558	0.7
119.08544	1.8
120.08091	100.0
121.08421	1.4
121.10107	1.2
122.63237	0.7
124.03945	1.8
129.71815	0.6
131.08586	1.4
133.10103	1.5
139.58621	0.7
143.08524	1.1
145.10077	1.3
157.10191	1.0
171.11673	1.1
171.14929	7.4
173.13309	0.9
174.12712	3.6
183.11700	1.0
187.14868	0.9
197.13258	1.4
199.14384	6.6
203.14337	0.8
207.11887	0.8
210.30695	0.8
219.14888	18.7
222.12787	0.9
227.12645	1.3
229.76440	0.8
237.76820	0.8
247.14395	20.0
267.14914	8.0
273.19507	1.5
295.14294	12.3
295.17035	1.3
301.19012	3.4
313.18073	2.3
346.21295	5.9
349.19138	1.3
394.21268	4.0
412.77283	0.9
493.22092	4.3
493.31427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2923
Annotation	Kermadecin F
Peak:m/z	Relative Intensity
63.25783	12.3
67.05502	14.6
69.18997	75.8
89.06025	31.6
89.88113	16.2
95.08597	15.5
120.29038	14.7
124.03960	100.0
142.95399	13.1
225.19363	14.2
225.84509	13.8
251.63789	14.6
294.77820	13.6
316.18619	15.2
339.29074	14.0
400.57367	14.1
493.29663	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.3
51.02368	0.5
52.66851	0.1
53.03933	0.4
54.20558	0.1
55.01860	0.2
57.03425	0.3
58.89489	0.1
64.06418	0.2
65.03928	0.7
67.05490	0.6
68.99794	0.1
69.03427	1.6
70.06596	0.2
71.04980	0.2
73.02934	0.2
78.03454	1.9
81.03405	3.2
81.03841	0.3
81.07045	0.4
83.01308	0.3
83.08600	0.2
85.02896	1.9
87.00819	1.4
91.05439	0.2
93.07056	0.2
94.04150	0.4
95.04965	0.5
95.08586	0.9
96.04485	100.0
97.02884	3.1
97.04819	1.2
98.23478	0.2
99.04453	0.6
100.07613	0.5
100.85904	0.1
105.01871	0.6
105.07018	0.6
109.02869	13.5
110.03714	0.3
111.04439	0.6
121.04008	0.3
123.04420	3.8
123.08057	0.6
124.27448	0.1
127.03904	2.0
131.04991	0.2
133.06491	0.3
136.07545	1.4
141.04599	0.1
145.04962	0.8
151.07529	11.2
152.07898	0.3
155.66194	0.2
159.02817	0.2
178.15947	0.2
183.02914	0.9
189.04010	0.2
231.05035	0.7
246.11241	5.0
287.09009	1.2
310.24738	0.3
494.16531	3.9
494.28250	0.2
495.17465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02388	0.6
53.03931	0.6
55.01866	0.9
55.05479	0.1
57.03435	0.7
61.02917	0.8
68.99776	0.4
69.03066	0.2
69.03429	4.6
70.06606	0.1
71.04987	0.7
71.44660	0.1
73.02924	0.8
78.03454	2.0
81.03415	4.3
83.01327	0.1
83.04974	0.3
85.02901	8.6
87.00825	2.9
87.04432	0.1
91.03954	0.2
93.07030	0.1
95.04974	0.3
95.08614	0.2
96.04488	100.0
97.02896	2.2
97.04821	1.1
99.04450	1.5
100.11256	0.2
101.02377	0.2
103.03946	0.4
105.01863	1.9
105.07037	0.1
107.04958	0.1
109.02870	5.7
110.03149	0.1
111.04439	0.3
117.01864	0.3
119.08579	0.2
121.04027	0.1
121.06469	0.2
123.04426	0.6
123.08046	0.2
127.03909	6.1
129.01839	0.6
136.07568	1.6
144.49777	0.1
145.04948	2.1
147.02898	0.4
151.07523	1.6
159.02890	1.9
159.59442	0.1
167.07024	0.1
168.13867	0.2
171.02933	0.1
182.11816	0.3
185.08055	0.2
187.06042	0.6
189.03813	0.2
196.13376	0.2
210.14978	0.2
213.03940	0.2
231.04990	1.1
246.11244	5.0
262.88000	0.1
286.00031	0.1
295.23676	0.1
301.05896	0.2
312.26129	0.1
315.08566	0.1
316.08862	0.5
317.09167	0.3
318.09583	0.4
329.41925	0.1
371.28748	0.1
408.16617	0.4
450.17639	0.6
458.34311	0.1
493.37433	0.2
494.16568	5.9
495.16467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03938	1.2
55.01863	1.8
55.05503	2.0
57.03437	2.0
61.02910	1.1
65.03927	0.5
67.05486	1.1
68.99773	1.2
69.03426	10.0
70.06587	1.4
71.04980	1.3
72.08141	1.0
73.02912	1.4
78.03445	2.7
79.05469	0.6
81.03410	8.5
81.07027	0.8
83.04975	0.7
83.08611	1.3
84.08137	0.4
85.02900	13.6
87.00825	4.8
91.05463	0.8
95.04943	0.7
95.08618	1.0
96.04485	100.0
97.02883	4.9
97.04833	1.0
98.06030	0.5
98.09717	0.5
98.23626	0.7
99.04464	2.5
100.07616	5.8
100.11240	3.2
103.03952	0.9
105.01852	2.5
105.07040	0.9
107.04949	0.9
109.02870	11.4
110.03643	0.5
110.09683	0.9
111.04467	0.9
114.09134	0.5
117.01839	0.4
119.04888	0.4
120.08109	0.5
121.06506	0.5
123.04433	1.4
123.08061	1.2
126.09127	0.6
127.03902	10.9
129.01837	2.0
131.04907	0.4
133.06480	0.5
136.07562	25.7
136.11189	0.6
137.07877	0.6
145.04926	3.0
149.05927	0.4
151.07541	4.6
155.84261	0.4
159.02863	3.1
168.13818	1.4
178.15921	1.0
181.62021	0.4
182.15343	1.9
187.05983	1.5
187.14372	0.5
189.04005	0.8
198.33882	0.4
199.18105	0.5
206.15392	0.5
210.14931	1.1
228.15909	0.5
231.05006	1.5
234.31906	0.4
246.11238	27.6
247.11598	0.8
295.20090	1.0
309.21753	0.7
310.24911	4.5
316.09012	0.5
408.16458	2.3
450.17636	1.5
470.95728	0.5
476.15356	0.7
493.37332	2.4
494.16513	15.4
494.28625	1.8
494.37613	1.0
495.16962	0.6
497.35574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61049	0.5
55.01856	1.6
68.14352	0.6
72.61274	0.5
79.05477	3.8
85.02889	1.4
91.05463	1.5
95.04950	1.3
103.05474	5.4
105.07030	52.4
106.07350	1.0
107.04889	0.5
115.05457	10.8
118.04144	3.7
131.04907	1.4
132.05725	0.9
133.06490	50.2
134.06816	0.5
137.05951	0.6
143.04973	1.3
143.06036	4.5
151.03917	4.3
151.04965	0.9
152.04221	1.8
161.05977	100.0
162.06326	2.2
169.01323	1.3
193.08603	73.9
194.08908	2.2
275.04767	0.6
278.45911	0.6
302.04208	5.2
303.04514	11.9
317.06516	8.8
318.06870	23.8
319.07761	1.0
494.10208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93623	0.5
53.03938	0.8
57.03413	0.5
65.03928	2.8
67.05497	1.1
68.99779	0.5
69.03425	2.0
69.59205	0.4
70.06590	1.0
72.08136	0.4
81.03422	4.3
84.04502	0.4
84.08145	0.9
85.02892	2.9
86.09696	0.9
93.03423	2.6
93.03939	0.5
95.04970	1.1
97.02888	2.2
107.52529	0.4
108.02112	1.2
109.02843	2.5
111.04449	3.5
111.85039	0.5
120.08128	1.0
120.36942	0.5
121.02866	6.8
122.03214	1.8
123.04396	0.7
124.85602	0.4
125.05975	4.0
127.03947	1.1
141.05505	1.0
151.03900	100.0
151.04961	5.9
152.04308	2.3
163.03922	1.2
164.04236	0.5
169.04953	11.9
193.04971	0.5
239.32690	0.4
246.03639	1.0
261.03851	0.7
262.04355	0.6
289.06332	0.5
295.08081	5.8
303.44214	0.4
313.09201	11.0
314.09418	0.6
338.07556	0.6
340.07379	0.6
356.08490	0.7
455.53906	0.5
471.51157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95099	1.1
53.03942	3.0
55.01878	2.7
55.44748	1.1
61.02924	1.9
68.99796	1.1
69.03435	9.2
70.06595	2.6
73.02914	2.8
79.05502	1.5
81.03410	8.8
84.08131	2.4
85.02900	24.6
86.09714	1.5
87.00832	7.1
91.05486	1.4
97.02879	8.7
98.21342	1.1
98.22624	2.4
99.04446	4.8
99.69353	1.2
103.05454	1.4
105.01852	4.6
105.07024	1.3
106.06570	1.5
108.04472	2.4
109.02840	7.2
111.04456	1.2
117.01846	1.5
121.06498	3.7
123.04424	2.4
124.07585	1.3
127.03925	12.5
129.10228	2.0
129.35452	1.0
133.06503	1.1
134.05980	1.7
135.04457	2.5
141.01843	3.6
145.02821	1.2
145.04900	7.0
145.06635	1.2
149.05954	1.8
151.03931	5.3
151.07669	1.2
152.07106	3.0
159.02888	3.3
161.05899	1.4
163.03876	12.9
167.07028	100.0
168.07364	1.3
173.05984	1.8
177.05370	1.3
181.08594	4.4
190.06346	1.4
193.08632	6.1
198.22784	1.2
205.08641	2.8
207.10213	1.9
211.09659	16.3
221.08017	2.0
229.10707	11.0
231.04930	1.9
233.08025	1.3
235.09767	2.1
239.09261	2.5
248.07527	1.5
249.86127	1.1
253.10757	4.8
259.09616	1.5
289.10483	1.4
295.11835	1.9
307.08691	1.3
319.11545	5.6
337.12888	2.5
494.16980	16.1
495.16925	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	494.194
Annotation	Jorunnamycin A
Peak:m/z	Relative Intensity
53.52193	0.8
57.07073	1.0
64.62486	0.9
70.02744	0.9
78.03431	1.2
87.04435	0.9
122.98160	0.8
124.03941	12.3
128.97427	0.9
214.02165	1.1
243.74295	0.9
475.58975	1.2
494.19376	100.0
495.19821	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	494.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59245	2.6
57.03426	9.4
67.05514	2.6
68.99786	12.4
69.03430	32.2
69.29414	5.1
69.29834	11.6
70.06569	3.9
71.04991	55.9
75.04476	9.2
80.57358	2.7
81.03421	8.1
83.04980	11.7
85.02902	100.0
87.04486	3.5
91.05476	3.4
97.02889	5.2
98.23485	5.7
105.07025	3.0
111.04408	12.1
116.84392	3.2
119.04958	5.6
120.50110	3.0
124.03909	3.5
127.03919	4.2
129.05484	38.7
135.04410	6.5
139.00241	3.2
144.98161	2.8
147.06541	25.0
147.07574	4.2
151.03891	60.4
151.05031	7.1
151.07518	37.0
152.04294	6.1
165.09082	4.7
169.04991	5.5
169.08517	4.9
179.07066	4.0
181.05244	8.7
181.08502	4.7
185.00830	9.2
193.08615	10.2
194.78081	3.5
235.09680	3.9
261.11185	13.1
273.03845	4.2
279.12439	3.5
301.03430	14.2
318.07047	9.4
319.04575	9.5
495.14771	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	494.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
51.02370	0.5
53.03934	1.3
55.01861	1.2
55.05510	7.3
57.07063	2.1
65.03936	2.2
67.05500	13.3
69.03413	1.4
69.07066	6.8
70.03284	1.3
70.03619	0.5
70.06577	1.6
71.04976	1.8
72.83698	0.6
74.62881	0.5
77.03923	0.7
78.03438	3.3
79.05483	11.7
80.04997	3.2
81.07051	23.7
82.07410	0.5
83.04977	17.7
83.08598	1.7
85.02902	0.7
85.06541	0.8
88.07616	2.4
88.08237	0.4
89.26938	0.6
91.05470	16.0
93.06447	1.3
93.07038	22.7
95.04965	13.8
95.08596	17.1
96.04479	3.3
97.02882	5.6
97.06505	3.0
97.10149	0.8
102.09173	1.6
103.05476	1.0
105.03385	1.8
105.04515	1.5
105.07019	32.1
106.02924	4.6
107.08586	18.3
109.06512	2.7
109.10146	6.8
111.04437	3.1
111.08074	0.9
113.05977	0.6
115.05437	1.2
116.06218	0.7
117.06997	5.6
119.08569	29.3
120.86980	0.7
121.06501	1.6
121.10132	10.9
123.08060	1.4
123.11676	2.5
124.03942	78.1
125.04291	1.7
125.06029	0.8
128.06213	1.6
129.06992	3.1
130.07755	1.1
131.07643	1.1
131.08553	11.6
131.09470	1.0
133.10126	15.1
135.08034	1.3
135.11703	4.3
137.09680	0.7
141.05490	1.4
141.06952	1.3
142.07774	2.5
143.08554	6.2
144.09296	2.5
145.10112	16.6
147.08063	1.3
147.11671	20.1
149.02348	6.2
149.03452	0.9
149.09537	0.7
149.13263	1.8
155.07137	0.9
155.08524	2.7
156.09311	2.8
157.10132	12.3
158.10895	1.2
159.10350	1.1
159.11671	17.6
160.12230	1.2
161.09535	1.4
161.13234	9.5
163.14865	1.1
165.07097	0.8
167.08594	1.6
169.10100	4.9
170.10930	4.4
171.11674	10.8
172.12366	0.8
173.13225	9.2
174.13751	0.6
175.11185	1.5
175.14804	4.2
179.08513	1.3
180.09254	0.8
181.10078	3.4
182.10915	1.4
183.11655	3.3
184.12407	2.0
185.13229	11.0
186.14020	1.9
187.14825	5.8
189.12726	1.8
189.16399	1.2
193.04950	7.2
193.08560	0.8
193.10120	1.1
194.10832	0.6
195.10126	0.8
195.11684	6.3
196.12402	1.3
197.13214	5.6
198.13913	0.9
199.11166	1.3
199.14774	9.2
201.16389	6.5
203.14311	7.1
204.15062	2.3
205.15878	2.0
207.11691	1.5
208.12532	1.0
209.13248	4.7
211.14789	3.3
213.12756	0.9
213.16335	3.8
215.10478	0.6
215.18057	1.0
220.12589	0.7
222.14032	1.6
223.14856	1.6
225.16304	1.3
227.17908	1.9
235.14793	1.4
237.07574	6.0
237.12701	0.7
237.16357	7.0
238.16835	0.7
241.12277	1.2
241.15768	0.7
241.19452	1.5
249.12578	0.6
251.17821	2.9
255.13687	0.7
255.17496	1.7
255.21019	0.7
259.13345	0.7
269.18781	1.4
273.18436	1.1
279.17496	1.1
279.20877	0.9
282.16074	0.8
284.29367	4.1
292.56583	0.6
297.18475	6.0
305.21051	0.7
315.19519	100.0
316.19818	5.9
333.20712	0.7
393.22403	0.6
418.86295	0.7
476.31406	1.2
494.27252	10.5
494.34518	11.8
495.27676	0.9
495.34720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
56.05026	1.7
58.06603	3.4
67.05504	7.1
68.05009	0.8
69.07072	0.5
69.42891	2.5
70.06592	21.8
71.04990	2.6
72.04198	0.5
72.04519	6.5
72.08154	15.9
76.18612	0.5
79.05483	3.4
81.07049	2.8
82.06606	1.1
84.08140	6.7
86.06064	0.8
91.05486	0.9
93.07036	1.5
94.06562	1.0
95.04977	0.9
95.08596	0.7
96.04510	1.2
96.08105	1.3
98.09689	2.0
100.07615	100.0
101.07948	1.4
103.05450	0.5
107.04955	5.8
107.08599	1.9
108.08132	2.0
109.10135	2.7
110.09678	20.9
111.10508	0.7
117.10165	0.6
120.08099	5.7
121.08887	1.3
121.10154	0.8
122.09671	1.8
124.11248	1.7
126.09153	4.4
126.12767	0.5
127.12289	2.7
128.10706	0.8
129.10242	3.0
131.04893	1.0
134.09631	2.7
135.10449	2.0
136.07552	1.2
136.11224	10.8
148.11224	1.8
149.09630	2.1
149.12019	1.8
150.12802	0.9
152.81638	0.5
167.03404	1.9
167.11835	0.5
169.13376	1.5
171.11330	1.8
176.14371	1.5
178.12292	2.0
178.15904	34.7
179.16272	1.2
187.14410	9.3
206.15384	7.9
222.08322	0.5
228.50829	0.5
241.40125	0.5
255.52498	0.5
268.23819	1.1
310.24869	68.4
311.25275	2.5
352.71408	0.5
362.19800	0.7
390.19049	1.1
407.21420	0.6
477.25964	1.6
494.28592	25.6
495.28842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
62.00071	0.4
64.74679	0.4
65.13154	0.4
66.30239	0.4
69.56962	1.6
70.76611	0.4
71.08633	1.1
79.05479	3.7
87.04464	95.9
88.04808	1.0
88.38733	0.4
89.06049	2.2
91.05473	1.3
95.04958	2.0
98.23496	0.5
103.05470	3.2
105.07025	100.0
106.07369	1.5
119.08564	0.5
121.06513	0.9
124.03934	1.2
129.06985	1.2
133.08592	1.0
147.08046	4.6
149.09576	0.6
159.11790	0.5
209.13260	1.1
223.11067	0.8
225.12779	1.0
251.14275	0.5
252.14969	0.4
269.13776	4.8
373.20221	0.5
494.28766	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	494.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03929	0.6
57.07088	0.3
71.50547	0.3
77.03910	0.5
79.05486	4.8
82.55653	0.3
87.04462	96.5
88.04807	0.9
89.06018	0.7
91.05470	1.0
95.04981	2.4
103.05463	3.7
105.07024	100.0
106.07387	1.9
107.66990	0.3
117.06945	0.4
119.08621	0.6
121.06503	0.7
124.03932	0.8
129.06985	0.5
147.08026	3.1
149.09645	0.5
204.44904	0.3
209.13187	1.2
223.11174	0.4
225.12627	0.7
225.74615	0.3
251.14317	0.8
269.13800	4.8
284.25693	0.3
294.28198	0.4
373.19962	1.1
439.86801	0.3
494.28760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.311
Annotation	Delbrusine
Peak:m/z	Relative Intensity
55.05489	2.4
55.16898	2.3
57.07095	2.4
59.24239	2.3
62.32458	2.4
67.05503	4.5
68.23754	2.3
79.05479	6.7
81.07043	6.4
83.04990	3.8
91.05470	6.3
93.07027	8.9
95.04987	2.8
95.08594	6.6
105.07025	40.6
106.07355	2.3
107.08599	6.8
117.07035	2.4
118.61010	2.1
119.08572	8.5
121.10168	3.1
124.03952	43.3
131.08568	5.4
133.10133	3.0
139.01558	7.3
145.10080	4.6
147.08014	2.5
147.11693	3.6
157.10187	2.8
159.11696	4.1
184.07338	5.1
193.04930	3.4
235.89534	2.2
246.94623	2.3
264.72562	2.6
291.99286	2.3
315.19507	22.7
494.31036	100.0
495.30640	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08757	0.2
50.94129	0.2
55.05502	0.4
56.05034	0.6
57.07074	0.3
58.06615	0.6
60.07872	0.4
60.08158	6.3
60.77866	0.3
67.05499	0.4
69.07058	0.7
70.06584	0.4
71.07368	3.5
71.43288	0.2
81.07046	0.5
86.09702	31.5
93.07038	0.4
95.08601	0.3
98.98456	3.5
104.10732	2.7
120.25695	0.3
121.06503	0.6
125.00000	21.7
131.04944	0.6
139.61154	0.2
140.65164	0.3
143.01009	0.3
149.02338	0.9
165.37207	0.3
184.07335	100.0
185.07674	1.1
193.04987	1.1
237.07509	0.7
284.29346	0.4
476.31525	0.9
494.11835	0.3
494.33456	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	494.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.05491	1.2
57.07056	0.5
67.05495	1.8
68.05103	0.6
69.07049	1.2
71.42803	0.6
79.05481	2.1
80.05029	4.1
81.07051	7.0
89.06024	1.4
91.05461	2.7
93.02744	0.6
93.07056	4.3
95.04963	1.1
95.08594	2.8
96.04487	4.4
96.26824	0.5
97.06536	0.6
99.50108	0.5
105.07023	11.7
107.08589	3.4
109.10131	1.4
119.08563	3.4
121.10106	2.5
123.11681	1.3
124.03945	100.0
125.04276	1.8
131.08549	1.2
131.28279	0.5
133.08621	0.7
133.10118	1.5
135.11688	1.2
143.08514	0.8
145.10130	1.7
147.08081	0.6
147.11646	3.0
149.13243	1.3
154.37772	0.5
157.10136	0.7
159.11673	2.4
160.44742	0.5
161.13271	2.2
173.13242	1.2
175.89284	0.6
182.87912	0.5
183.10155	0.9
187.14822	0.9
189.16443	1.0
199.14790	0.6
201.16432	0.9
209.13309	0.8
213.16394	0.6
224.01103	0.6
242.10344	0.5
272.61243	0.5
330.17349	0.5
353.88663	0.5
437.60995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
55.10821	0.3
57.03436	0.3
58.37899	0.2
59.04993	0.3
60.04511	0.3
65.03924	0.6
67.05511	0.2
68.99491	0.5
68.99787	12.9
69.03426	0.4
70.80990	0.2
71.38125	0.3
73.02904	0.3
76.36333	0.3
79.05485	0.5
81.03374	0.3
81.07024	0.5
85.02865	0.4
87.04465	0.4
89.06019	0.9
91.05480	2.2
93.07037	0.5
95.04975	0.4
95.08565	0.5
101.06003	0.4
103.05437	0.6
105.06976	0.4
107.04961	0.4
109.06496	0.6
111.00782	0.4
111.04427	0.3
118.04157	0.4
119.04935	12.5
121.02865	7.1
121.06478	0.7
131.04915	4.0
132.05701	2.4
133.08623	0.4
139.00259	21.5
140.00670	0.3
145.02840	0.3
145.08473	0.3
147.04404	0.6
147.11708	0.3
149.05989	0.5
151.03954	0.3
155.04884	0.4
157.01355	0.9
159.04367	0.5
160.05133	0.9
161.06004	0.7
163.07518	0.4
166.99802	0.3
167.07077	0.5
167.08510	0.6
169.02852	0.5
173.05954	0.3
177.01727	0.3
177.05428	1.8
177.11177	0.3
180.07848	0.6
185.00844	1.0
187.03905	0.3
191.07021	1.1
192.07816	3.5
197.04448	0.3
211.03940	1.2
215.03452	0.3
215.96147	0.3
229.04935	0.7
239.03438	0.5
257.04440	75.3
258.04834	2.3
261.52338	0.2
271.05902	0.3
285.03922	100.0
286.04352	4.7
287.05521	1.1
297.07324	0.3
333.09314	0.3
403.24881	0.3
445.09070	0.3
465.11649	1.4
477.11801	1.9
477.28726	0.3
495.12714	0.8
495.17383	0.8
495.27228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1287
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
67.05484	4.7
68.99790	18.5
69.12904	15.3
69.18181	2.4
79.05463	3.7
81.07032	3.2
91.05454	9.8
93.07011	4.2
95.04945	3.4
103.05470	4.4
105.07055	5.4
107.04925	2.4
117.07015	2.1
118.04118	2.5
119.04945	20.4
119.08597	2.6
121.02840	10.6
121.06490	2.2
124.03905	4.3
129.06963	2.8
131.04883	6.3
138.05437	3.0
138.99315	2.6
139.00267	29.1
140.04683	2.8
147.04413	2.6
167.06949	2.4
167.73602	2.3
191.06982	3.4
193.04840	2.1
203.03259	2.2
229.04953	3.7
237.49617	2.6
242.05692	5.0
257.04440	100.0
258.04846	4.7
270.05051	6.5
271.06027	4.4
285.03903	84.5
286.04712	25.7
287.05557	26.0
289.05292	3.7
341.06668	2.6
402.65112	2.4
451.17078	3.2
462.25024	2.7
465.11871	4.9
477.11734	47.1
495.12564	79.2
495.21719	8.6
495.26456	5.1
496.12497	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	495.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66722	0.7
63.00839	0.8
69.03443	0.8
69.10313	2.1
69.10734	2.8
84.08146	0.9
85.02891	1.3
93.71310	0.5
120.08086	0.8
120.10841	0.7
123.04362	0.7
135.04413	2.0
140.00987	0.8
145.02879	1.2
163.03912	7.3
168.00539	7.4
183.02898	22.3
186.01617	5.2
189.05223	5.0
193.62721	0.6
195.02943	0.9
221.04372	0.6
225.03952	1.1
227.05280	1.2
231.06299	1.3
246.08578	7.1
247.09387	24.9
259.27924	0.6
261.03848	0.9
271.04303	3.3
275.08917	0.8
319.04910	0.9
319.08102	23.8
320.08426	1.2
331.08313	0.9
397.09332	0.9
409.14673	7.3
433.14774	1.2
451.15741	34.9
452.15796	1.3
495.14685	100.0
496.14883	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	495.163
Annotation	3'-Hydroxy rocagloic acid
Peak:m/z	Relative Intensity
55.05502	1.3
57.02150	0.6
57.03434	0.6
57.07086	0.9
59.05005	1.8
59.26857	0.6
65.03875	0.7
67.05503	2.7
69.03412	1.0
69.07067	1.3
70.08258	0.8
70.08579	1.5
71.04980	0.8
73.02901	0.8
79.05508	3.1
81.03402	1.4
81.07052	3.2
83.04997	1.2
83.08598	1.0
84.22894	0.6
85.02901	1.0
86.09708	0.9
87.04465	1.5
89.06031	2.0
91.05491	2.1
93.07044	2.7
95.04960	1.8
95.08605	2.0
97.06514	0.8
103.05508	0.7
105.07034	1.5
107.04943	3.4
107.08595	1.9
109.06523	2.7
111.04430	0.8
111.08060	0.6
117.06991	0.7
119.04944	1.0
119.08577	1.0
121.02827	1.1
121.06500	2.2
121.10161	1.4
127.01614	1.0
129.07018	0.6
131.08592	1.2
133.08620	0.8
133.10141	0.6
135.08037	1.0
135.11621	0.8
137.02345	0.8
139.01559	1.6
145.10081	1.3
147.04422	2.2
149.09726	0.7
153.03081	0.7
163.11229	0.7
169.01396	0.7
170.41113	0.7
185.02705	1.0
189.08995	0.9
219.13792	2.5
257.04401	1.0
259.15393	1.5
285.03873	1.0
293.04532	0.9
293.17209	0.8
305.02682	5.5
362.78250	0.7
376.16690	0.7
383.10992	0.6
385.23587	1.0
451.17239	9.7
477.15659	0.9
477.28836	0.9
495.16315	100.0
496.16776	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	495.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
53.94279	0.5
57.03450	0.6
65.03935	3.9
67.05502	1.2
68.20697	0.5
69.03414	2.1
69.70367	2.3
70.06583	1.2
72.08119	0.6
74.93146	0.7
76.92868	0.7
80.12263	0.5
81.03419	3.2
82.04189	1.0
84.04510	0.6
84.08138	2.1
85.02897	4.7
86.09719	2.0
89.69700	0.5
90.14185	0.6
93.03396	1.0
95.04959	2.1
97.02881	1.1
97.06554	1.0
99.04435	0.8
101.17072	0.5
109.02864	1.0
110.03660	1.7
111.04417	1.4
120.08125	1.3
121.02847	0.7
123.04478	1.0
125.05984	0.9
129.10240	1.3
138.03058	0.9
140.04672	7.3
142.02614	0.6
147.04434	0.7
151.03899	2.7
152.04253	1.6
153.05467	2.2
155.07034	2.7
171.06525	5.4
176.20131	0.6
181.04945	100.0
182.05255	2.5
196.00221	0.6
199.06027	4.5
224.94171	0.6
238.48553	0.5
274.38364	0.5
325.09085	3.2
342.98273	0.6
343.10135	4.1
369.08487	0.6
376.88580	0.7
403.92325	0.6
495.20078	0.7
501.59485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
65.03936	2.1
67.05510	1.0
69.03419	2.8
70.06568	1.0
74.36105	0.7
75.45483	0.9
75.50261	0.7
80.26904	0.7
81.03410	4.5
85.02905	2.4
87.22192	0.8
93.03413	2.2
95.04941	1.3
99.04463	1.5
100.07508	0.8
107.04976	0.9
108.02094	1.2
109.02874	2.0
109.57668	0.8
111.04430	3.2
120.63910	0.8
125.05975	2.3
136.01534	0.8
136.82269	0.9
137.05962	1.6
139.00224	0.9
141.05463	2.2
148.36627	0.9
151.03899	100.0
151.04974	6.2
152.04213	2.0
169.04942	7.3
192.45964	0.7
200.40631	0.8
215.15926	0.7
249.15540	0.8
295.08115	2.8
299.04590	0.9
313.09109	5.6
319.04538	2.6
392.28668	0.9
463.84674	0.8
495.16733	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89967	0.6
70.55652	0.8
83.36163	0.6
86.09697	1.3
91.05447	1.1
95.04968	2.5
103.05463	33.7
104.05795	0.7
104.10753	1.8
105.04519	0.8
112.71586	0.7
121.35316	0.6
122.02373	5.4
125.00094	0.7
131.04926	100.0
132.05251	2.3
143.47383	0.6
162.01855	1.9
184.07428	2.0
190.01347	6.9
208.02499	1.0
218.00838	96.2
219.01180	1.9
236.01840	3.9
238.71561	0.7
246.00333	72.8
247.00575	1.0
260.01855	4.5
264.01456	1.2
280.06033	2.0
284.52954	0.7
288.01376	16.0
306.02411	7.0
308.05341	0.8
322.07089	12.2
322.10858	0.7
323.07391	0.9
350.06586	25.4
350.10880	1.3
351.06970	1.7
364.08069	3.2
392.07632	92.7
393.08081	4.3
454.12900	5.1
464.11334	0.6
468.14319	2.8
473.19766	0.7
496.13846	8.7
496.36243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26128	0.3
50.90410	0.3
61.14577	0.3
65.03938	1.4
67.05500	0.9
69.03430	0.5
70.06597	1.3
70.26628	0.9
81.03420	3.0
82.06585	1.9
84.04511	0.4
84.36172	0.3
85.02895	1.1
93.03392	0.6
94.02924	0.8
95.05005	0.4
96.04507	2.2
97.02862	0.6
108.02098	0.8
109.02871	1.3
110.06050	7.3
111.03222	0.5
111.04432	1.3
112.03966	96.3
113.04321	1.0
125.05970	1.1
126.41854	0.3
127.03938	0.4
138.05499	91.0
139.05826	1.1
141.05466	1.0
151.03908	62.0
151.04965	3.3
152.04248	0.9
166.05000	9.8
169.04958	3.2
184.06049	100.0
185.06421	2.1
218.95833	0.4
291.09470	0.5
295.08163	5.9
313.09143	2.0
333.27475	0.4
337.11520	0.4
496.14218	1.8
496.21704	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	496.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23349	1.0
57.03426	1.5
57.39938	1.1
65.44370	1.0
67.05519	1.0
68.99809	1.1
69.03428	4.0
71.04977	3.2
81.03436	2.0
85.02904	13.0
91.05485	2.0
94.04197	2.1
97.02899	3.7
107.04955	3.6
109.02906	1.2
111.04535	1.1
122.03668	6.3
123.04440	4.6
127.03912	2.4
129.05495	2.0
135.04399	7.4
136.24463	1.1
137.05975	100.0
138.06313	1.5
145.04926	2.4
147.06526	1.4
151.03900	3.6
153.05434	7.6
164.97633	1.1
217.26985	1.1
276.44244	1.2
302.03955	1.3
379.83133	1.2
477.19214	1.3
505.80853	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12931	0.2
55.05511	0.4
67.05479	0.4
69.08159	1.1
69.08574	0.9
71.67035	0.3
78.03443	1.1
79.05476	0.4
80.05006	4.6
96.04485	3.0
98.23438	0.5
105.07013	0.6
106.02885	0.9
117.06983	0.3
119.08542	0.6
121.10186	0.4
124.03939	100.0
125.04278	1.2
135.11760	0.2
145.10126	0.4
147.11684	0.5
157.10146	0.3
159.11644	0.4
161.09544	0.4
187.14807	0.4
189.90834	0.3
199.50346	0.2
228.33694	0.3
295.16852	0.3
313.17935	0.8
318.69931	0.3
331.19177	0.4
401.51883	0.3
496.15817	0.4
496.23215	6.8
497.23251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2324
Annotation	cytochalasin e
Peak:m/z	Relative Intensity
50.01592	0.4
51.02376	1.2
51.18860	0.4
51.27980	0.4
51.70907	0.3
55.05500	1.1
65.03922	0.6
67.05499	8.2
69.03426	2.0
69.07041	0.7
71.04990	2.4
78.03448	19.5
79.04227	0.4
79.05473	1.9
80.05010	1.1
81.07052	4.9
83.04967	1.2
85.02897	0.4
91.05476	3.1
93.07036	2.7
95.04941	2.1
95.08586	1.1
96.04489	3.6
97.02885	5.4
97.06525	0.6
98.22615	0.9
102.71094	0.5
103.05537	0.5
105.07009	3.1
106.02908	44.1
107.03236	0.6
107.08578	1.5
109.06499	1.3
111.04438	1.9
111.08059	0.5
113.06002	0.6
117.06973	1.1
119.06094	0.4
119.08569	12.9
121.06511	0.4
123.04401	1.0
124.03939	32.8
128.06181	0.6
129.06989	1.1
131.08571	3.3
133.10127	2.7
141.05461	2.1
141.06966	0.8
142.07794	2.0
143.08545	3.5
144.09254	0.7
145.10123	3.4
147.08035	0.4
147.11691	0.5
149.09595	0.6
154.07825	0.5
155.07199	2.3
155.08409	2.3
156.09352	2.4
157.10120	5.4
158.10869	1.3
159.07979	0.6
159.11693	5.2
161.09581	0.7
165.07013	1.0
167.08521	1.5
168.09329	0.7
169.10086	5.0
170.10924	2.4
171.11664	7.4
172.08829	0.4
173.09662	0.8
173.13231	6.5
175.11163	0.5
178.07753	0.4
179.08571	1.5
180.09346	0.7
181.10100	1.6
182.10901	1.6
183.11647	4.9
184.12448	1.8
185.09717	0.5
185.13213	3.2
186.10324	0.5
187.11115	2.2
187.14839	0.6
192.09250	0.5
193.10124	2.2
194.10919	1.4
195.11700	3.2
196.12480	1.2
197.09630	0.5
197.13234	9.4
199.11241	0.7
200.11966	0.5
201.12740	1.5
202.13635	0.5
205.10139	0.8
206.10925	1.1
207.11661	2.9
209.13219	4.0
210.14056	0.7
211.11172	0.8
211.14735	2.5
215.14322	0.9
219.11659	1.3
220.12421	5.6
221.13225	2.0
223.14836	1.2
225.12791	0.7
225.16368	1.6
234.13942	0.9
235.14796	7.0
236.15334	0.6
237.12727	0.5
239.17986	0.6
249.16280	2.0
253.15927	1.7
255.13759	2.1
262.13361	0.4
277.15869	0.8
295.16949	1.2
313.17935	7.9
331.18997	0.5
332.81497	0.5
436.21262	0.6
496.23242	100.0
497.23563	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	496.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37180	0.3
53.39568	0.3
55.05513	0.3
67.05479	0.4
78.03440	2.7
79.05467	0.8
80.05009	4.0
81.07040	0.5
91.05482	1.4
93.07032	0.9
95.08595	0.6
96.04482	3.9
97.06522	0.3
103.05447	0.3
105.07007	1.1
106.02908	6.0
107.08585	1.3
109.10115	0.3
117.07008	0.7
119.08562	1.4
121.10156	0.3
124.03942	100.0
125.04253	1.1
131.08600	0.6
133.10114	0.7
135.08015	0.5
137.09641	0.3
143.08543	0.8
145.10115	1.0
146.57330	0.3
149.09616	0.3
157.10127	0.7
159.06485	0.5
159.11694	0.9
161.13307	0.3
169.10071	0.6
171.11674	0.8
172.12457	0.4
173.13312	0.8
179.08432	0.3
183.11662	0.4
185.13254	1.0
197.09602	0.3
197.13306	0.3
199.14842	0.4
200.15521	1.3
208.80365	0.3
221.13383	0.3
256.62021	0.3
257.04419	0.4
264.70090	0.3
271.16879	0.4
287.05524	0.6
295.16830	0.5
297.02893	0.3
313.17859	2.2
364.51614	0.3
414.96616	0.5
436.21292	1.0
437.21060	0.3
479.16873	0.8
496.12769	0.6
496.23309	12.8
497.18033	1.1
497.24274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2331
Annotation	6-O-Acetylscutehenanine A
Peak:m/z	Relative Intensity
51.02370	0.1
53.03931	0.3
57.65763	0.1
69.08145	0.3
69.08572	0.4
70.12682	0.1
78.03448	1.3
79.04208	0.2
79.05470	0.1
80.05011	4.2
81.07051	0.3
91.05461	0.2
93.07037	0.1
95.04965	0.2
96.04484	2.7
105.07046	0.5
106.02903	0.8
107.08593	0.2
109.06529	0.2
117.06978	0.1
119.08591	0.5
121.10108	0.2
122.02361	0.1
124.03945	100.0
125.04291	1.0
129.07040	0.1
131.08586	0.1
133.10117	0.2
135.07993	0.2
140.03363	0.1
142.07747	0.1
143.08585	0.1
145.10063	0.3
147.11726	0.5
155.06987	0.1
155.08398	0.1
157.10139	0.3
158.11008	0.1
159.11705	0.2
161.09612	0.2
161.13248	0.2
169.10172	0.3
170.10901	0.1
171.11674	0.2
172.12563	0.1
173.13263	0.2
175.11191	0.1
176.11977	0.2
181.10124	0.1
183.11778	0.2
185.13179	0.2
195.11688	0.2
197.13248	0.1
205.24387	0.1
209.13258	0.2
209.84795	0.1
220.12434	0.1
221.13181	0.1
235.14822	0.1
249.16333	0.2
253.15886	0.2
271.16986	0.3
293.24930	0.1
295.17017	0.7
313.17993	1.2
364.36542	0.1
482.14130	0.1
496.23270	9.9
497.23553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	12.2
67.05511	19.9
69.03423	26.8
70.06582	60.9
71.04971	26.2
73.02901	17.0
79.05470	23.7
81.03423	15.3
81.07051	55.1
85.02897	37.8
86.09686	20.9
87.00827	19.3
87.04434	24.2
88.76471	11.4
89.06036	52.5
91.05492	26.1
93.07011	51.2
95.08606	40.5
97.02873	20.3
97.06521	30.4
107.08565	33.5
109.02840	30.3
113.05956	15.1
117.07023	14.9
119.08529	18.6
121.02842	11.6
121.10124	27.2
124.18129	11.8
127.01538	33.1
127.03907	21.1
131.08568	16.4
133.08604	29.6
133.10080	23.4
135.11671	40.8
137.05717	14.3
145.04915	14.3
149.13216	13.1
153.03064	30.8
159.11668	24.3
167.10684	45.0
177.11273	16.6
177.12727	60.2
185.11697	33.4
187.04938	11.9
195.13846	100.0
213.14873	75.7
299.14786	11.2
326.99466	47.5
338.99493	17.6
342.49493	12.5
343.99582	12.1
345.00415	28.8
355.02496	93.5
373.03574	22.5
383.05704	17.7
411.05081	32.3
429.06152	45.7
473.05130	14.6
496.21432	44.0
497.18286	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17011	1.7
53.03926	4.2
55.01867	4.3
55.05511	5.9
57.03423	6.7
57.07066	3.8
60.94283	1.7
61.02919	4.3
67.05494	26.2
68.99783	3.9
69.03423	22.1
69.07050	19.2
71.04986	28.8
73.02919	4.7
79.05491	27.9
81.03419	20.3
81.07051	33.0
81.07499	3.0
83.04977	5.5
83.08612	5.5
85.02895	41.9
85.06538	8.1
87.00821	20.6
87.04449	2.2
91.05467	10.2
93.07042	45.5
94.07375	1.9
95.04985	3.9
95.08598	27.5
97.02882	16.3
97.06525	7.8
99.04424	9.2
104.02242	1.7
105.01868	13.3
105.07013	5.2
107.04933	3.2
107.08575	19.9
109.02845	17.1
109.10153	12.9
111.04517	1.9
111.08070	5.1
115.03928	2.7
117.04839	2.5
117.07028	5.1
119.08601	2.9
121.06489	4.1
121.10144	4.9
123.08059	3.9
123.11663	4.2
125.05984	12.2
125.13264	3.3
127.03907	24.2
127.07541	5.2
131.08563	8.6
133.10130	15.9
135.08113	3.1
135.11682	100.0
136.11990	1.8
139.07544	8.5
141.09116	3.1
141.12782	3.9
145.04964	8.1
149.13235	14.1
150.71278	2.1
151.11209	2.6
153.09117	4.6
153.12723	29.8
159.02922	4.8
159.11659	13.7
169.15869	6.1
171.10132	2.0
171.13750	2.5
177.12735	41.5
186.58041	2.0
195.13786	86.9
201.14746	2.5
209.21220	2.3
213.14828	48.8
213.18288	2.2
231.04910	2.7
231.15891	47.1
247.06036	2.9
297.07434	2.2
363.18103	1.8
394.25342	2.0
410.12418	2.1
497.19772	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	496.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	6.6
67.05503	1.6
69.17488	8.8
70.06574	2.4
73.02911	2.4
85.02899	4.1
87.04462	9.8
89.06030	100.0
97.54383	1.2
103.07575	4.8
107.07060	2.2
112.99998	3.3
127.01565	39.2
131.07042	2.6
131.08557	1.8
131.69499	1.3
133.08600	45.9
139.01561	14.6
147.10164	3.3
153.03113	37.4
153.48120	1.3
163.03900	4.3
177.11195	18.1
183.02951	2.6
183.04178	4.9
184.03256	2.5
186.01718	1.7
189.08954	1.5
197.05714	15.6
207.57846	1.4
215.06956	1.5
221.13861	2.3
227.06650	1.8
233.48856	1.3
241.08344	4.8
249.11179	5.3
259.09488	2.7
303.04614	2.5
304.04480	1.8
305.04840	1.6
319.07858	2.9
320.08182	7.2
479.22479	16.9
504.00439	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
57.07071	2.1
63.55133	0.4
67.05509	2.2
69.03409	1.1
69.07064	1.2
69.44423	1.3
71.04990	0.5
78.03422	0.4
79.05470	2.0
79.86487	0.4
81.03407	9.2
81.07050	2.7
81.74485	0.5
81.80684	0.4
83.04962	1.9
83.08597	0.5
84.83312	0.4
85.06526	0.8
91.05456	3.0
93.07026	3.1
95.04955	1.2
95.08605	4.0
95.34433	0.4
96.04504	0.4
97.02882	2.4
97.06521	0.7
103.05432	0.4
105.06353	0.6
105.07020	8.5
106.02888	1.3
107.08562	3.3
109.02845	0.5
109.06510	1.2
109.10146	1.2
111.04460	2.8
111.08051	0.5
115.05378	1.0
117.06995	3.3
119.08566	14.5
121.06474	0.7
121.10120	2.3
123.08042	1.1
124.03936	9.8
125.05982	1.2
127.03897	4.1
128.06212	0.8
129.06969	1.3
130.07779	1.6
131.08546	6.6
133.10124	6.5
135.08037	1.9
135.11684	0.7
136.48560	0.5
141.07024	0.5
143.08549	4.0
144.09256	1.7
145.10109	44.0
146.10472	1.3
147.08028	1.0
147.11674	11.2
147.64807	0.4
149.09612	0.8
149.13173	0.5
155.08525	1.6
156.09308	1.0
157.10103	5.8
158.10902	3.2
159.08105	0.6
159.11676	15.5
161.09578	1.0
161.13249	1.5
163.96796	0.4
167.08527	0.8
168.09442	0.6
169.10152	2.7
170.10870	1.6
171.11656	3.0
172.12456	7.6
173.09587	1.6
173.13225	3.9
174.13986	0.6
175.11234	0.9
175.14799	1.6
177.16280	0.6
179.08432	0.5
180.09383	0.4
181.10127	1.5
182.10843	0.7
183.11690	2.7
184.12424	0.5
185.09627	0.6
185.13284	2.0
187.14799	100.0
188.15161	2.6
189.12730	1.2
193.10164	1.0
195.11690	1.2
196.12511	0.9
197.09659	0.6
197.13211	1.6
199.14795	1.0
201.12767	1.5
201.16386	0.5
203.14259	0.9
205.15875	3.8
207.11693	1.3
209.13226	1.5
210.14108	0.5
211.14754	2.9
213.12714	0.5
213.16440	0.9
215.10620	0.5
215.14331	1.1
220.12373	0.5
223.14787	0.8
225.12706	0.5
225.16357	1.5
229.12250	0.5
229.15831	1.5
231.10083	0.5
232.97400	0.4
233.15331	0.6
235.14784	1.2
237.16319	0.6
239.14095	0.4
249.16412	0.9
253.12148	0.5
253.15926	0.9
267.13812	0.4
267.17551	0.7
271.16833	1.0
283.34222	0.4
285.18436	1.0
295.16812	1.4
313.17990	7.0
315.19540	6.1
331.19006	52.4
332.19254	1.9
356.45224	0.4
436.21323	0.6
496.06183	0.4
496.23309	0.7
496.29144	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	496.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
58.06582	1.5
67.05481	5.6
69.03411	3.0
69.07056	4.7
71.04984	5.1
79.05490	8.9
81.03398	4.9
81.07048	14.0
83.04939	1.8
85.06513	1.8
91.05470	8.0
93.07047	12.7
95.04948	5.3
95.08595	10.2
97.02876	6.2
98.87841	1.6
105.07015	17.6
106.02905	1.8
107.08578	11.1
109.06506	5.6
109.10151	4.1
111.04483	1.7
117.07008	3.5
119.08572	19.4
121.06452	2.1
121.10131	7.8
123.11639	1.5
124.03917	7.6
125.05991	2.9
127.03914	6.1
129.06995	2.9
131.08533	7.7
133.06467	2.1
133.10126	11.9
135.08026	7.2
135.11703	2.4
139.07503	2.5
141.06963	3.2
142.07747	6.4
143.08545	9.7
145.06517	2.0
145.10117	16.6
145.88319	1.6
147.08040	2.1
147.11682	9.2
149.09642	3.1
149.13229	3.6
155.08528	6.3
156.09315	8.1
157.10104	17.5
159.08011	4.4
159.10577	2.0
159.11676	11.9
161.09694	3.8
165.07037	2.3
167.08630	3.7
169.10092	15.8
170.10884	8.6
171.08099	1.8
171.11638	14.2
172.08740	2.6
172.12529	2.2
172.30206	1.6
173.09564	8.8
173.13213	11.1
174.10243	1.8
175.11205	4.2
177.12657	2.2
179.08498	3.3
180.09303	2.2
181.08641	3.2
181.10115	9.0
182.10890	4.3
183.11665	16.8
184.12291	1.9
185.09615	4.4
185.13223	6.3
187.11142	6.7
187.14778	21.5
188.12004	3.2
189.12660	2.4
192.09340	5.2
193.10092	18.2
194.10880	3.2
195.11656	7.2
196.12401	8.9
197.09644	2.0
197.13220	14.8
198.14098	4.3
199.11200	2.6
199.14775	2.1
201.12785	3.2
203.10590	4.0
203.14331	2.0
205.10100	3.1
205.15880	4.7
206.10809	2.9
207.07736	1.8
207.09956	2.6
207.11671	20.3
208.12430	3.9
209.13205	5.4
211.11162	6.6
211.14774	38.4
213.16415	2.9
215.10751	2.4
215.14304	13.2
216.15056	2.7
217.15891	1.9
219.11765	3.9
220.12462	9.2
221.13292	10.2
223.11180	2.8
223.14769	3.4
225.12785	4.4
225.16345	6.1
229.15947	4.7
231.10162	5.6
234.13979	2.7
235.14780	20.6
236.15227	6.6
239.10663	2.6
239.17999	3.9
249.16406	9.3
253.12242	9.9
253.15839	6.7
257.11752	3.3
257.18951	7.3
266.13022	2.7
267.13718	2.2
267.17474	5.1
271.13306	2.3
271.16931	5.3
277.15756	2.6
280.14383	2.8
285.14868	7.8
285.18417	6.1
287.16449	2.2
295.16937	42.0
296.17310	2.2
303.19510	4.0
313.17953	92.4
314.18335	6.3
331.19086	21.8
373.20087	19.8
401.23175	100.0
402.23239	3.0
448.37042	1.9
496.28842	5.1
496.36194	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	496.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00303	3.4
57.19385	4.0
69.60244	16.8
80.05029	5.2
81.07022	3.8
92.02913	3.8
101.65537	4.0
106.02868	6.5
124.03950	100.0
147.04146	3.9
214.06177	4.2
370.39725	4.6
496.22922	7.6
496.29315	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	496.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.5
53.03942	0.4
55.05510	0.3
55.80768	0.3
56.05019	0.5
57.07063	1.4
58.06584	0.6
60.07866	0.5
60.08155	7.7
65.12756	0.3
67.05505	0.3
71.07366	2.6
71.08638	0.6
77.03909	0.8
79.05044	0.3
79.05484	5.0
81.07053	0.6
85.10170	0.4
86.09698	19.4
87.04469	1.3
89.06024	14.6
91.05468	2.4
93.07037	3.9
95.04947	3.4
95.08591	0.4
98.98453	1.5
103.05459	4.8
104.10737	37.8
105.04524	1.3
105.07021	100.0
106.07343	1.7
117.07021	0.4
119.04967	0.5
119.08572	1.0
121.06497	16.5
123.07986	0.3
124.03975	0.4
124.99993	10.7
129.06953	0.6
129.92833	0.3
131.08574	0.8
133.08588	5.9
135.08025	0.5
145.06477	0.4
147.08034	4.3
149.09592	0.8
165.09111	5.7
169.36761	0.3
177.11224	2.9
183.10146	1.2
184.07329	37.4
209.11639	1.4
209.13309	1.1
223.11124	0.4
225.12708	0.7
227.12816	0.5
251.14287	0.3
255.80415	0.3
269.15347	0.8
271.15375	38.0
272.15842	1.0
295.56903	0.3
313.27335	0.5
375.21640	6.8
376.21716	0.3
386.13870	0.3
478.32883	3.6
479.27695	0.6
496.33972	9.9
497.28470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.0
57.03418	0.8
57.07065	2.8
58.06587	0.7
60.07875	0.8
60.08159	12.8
67.05497	0.8
69.23013	2.9
69.23434	0.9
71.07371	5.5
71.08627	1.5
71.93238	0.5
72.51562	0.5
75.03648	0.4
75.22115	0.5
77.03915	1.7
79.05479	5.3
85.10205	1.0
86.09696	42.6
87.04449	1.5
87.09978	0.6
89.06019	14.4
91.05470	2.5
93.07030	3.1
95.04946	3.4
95.08588	1.3
98.98453	3.7
103.05469	5.2
104.10733	85.0
105.04483	1.7
105.07018	100.0
105.11062	0.7
106.07356	2.1
111.61002	0.5
116.13268	0.5
119.04903	0.7
119.08542	1.3
121.06500	13.8
124.99994	23.3
129.06995	1.1
131.08585	0.6
133.08583	5.5
140.51717	0.6
147.08029	4.5
149.09624	0.7
154.97217	0.6
163.01498	1.0
165.09119	5.6
168.38129	0.5
175.16618	0.5
177.11230	3.1
183.10233	1.0
184.07320	84.3
209.11627	0.9
209.13301	1.3
213.34264	0.6
225.12796	1.6
227.12674	0.9
258.11044	1.4
271.15372	37.7
272.15851	1.8
305.34549	0.6
307.73190	0.6
313.27322	1.6
375.21494	6.6
376.21960	0.7
396.28525	0.7
478.32919	7.7
479.28250	0.6
496.33942	21.1
497.34409	1.4
511.01321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	1-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
57.07049	2.3
60.07873	1.6
60.08157	18.3
60.18787	1.4
71.07375	7.0
85.10171	1.8
86.09196	2.7
86.09702	46.2
95.81343	1.5
98.98454	4.4
104.10738	100.0
124.99999	26.5
131.04935	1.7
152.64272	1.6
184.07336	99.8
313.27225	2.5
402.05927	1.5
428.95517	1.6
471.83994	1.6
478.32755	10.0
496.33984	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3396
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.90013	0.2
55.05500	0.4
56.05022	1.1
57.03428	0.5
57.07072	3.0
58.06350	0.4
58.06570	1.2
59.07381	0.4
59.96175	0.2
60.08160	16.6
62.82948	0.3
67.05497	0.6
69.07066	0.5
71.07368	6.9
71.08624	2.2
80.23227	0.2
81.07036	0.8
83.08622	0.6
85.10186	1.2
85.32871	0.2
86.09698	47.1
87.10040	0.3
89.06010	0.3
95.08601	1.2
98.98465	3.8
104.10735	100.0
105.11093	0.6
109.10146	0.5
109.79127	0.3
119.67963	0.2
124.99995	29.3
163.01590	0.8
181.02553	0.3
184.07326	99.3
185.07634	0.5
258.11011	1.2
313.27344	2.3
318.16455	0.3
327.71942	0.2
419.25610	0.3
478.32904	8.7
479.33286	0.4
496.33932	27.5
497.34335	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	496.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
57.07068	0.9
58.06606	0.5
59.13326	0.3
60.08160	6.6
64.21658	0.2
67.05500	0.3
69.07057	0.3
69.73230	1.0
71.05306	0.2
71.07372	3.3
71.08622	0.7
81.07067	0.4
86.09701	30.3
86.29134	0.3
87.10056	0.4
89.06068	0.3
98.23492	0.3
98.98452	3.2
104.10732	2.8
105.07023	0.3
124.03940	0.5
124.99995	21.8
140.19249	0.3
184.07327	100.0
185.07674	0.6
198.34383	0.3
207.82883	0.3
315.19318	0.3
478.32892	0.9
496.34402	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98395	0.4
53.03933	1.1
55.05499	3.1
57.07058	1.1
57.83111	0.4
65.03931	0.4
67.05494	4.7
69.07054	2.6
71.08630	0.7
71.43957	0.5
78.03445	1.9
79.05486	3.5
80.05008	4.8
81.07051	10.0
81.98218	0.5
83.04974	7.0
83.08591	1.3
86.09689	0.5
87.39887	0.4
89.06022	1.2
91.05470	5.6
93.07040	13.2
93.65306	0.5
95.04958	6.9
95.08601	7.2
96.04479	3.4
97.06492	0.4
100.29211	0.5
101.60468	0.4
104.10741	0.8
105.04497	0.7
105.07025	8.5
106.02892	4.3
106.22758	0.4
107.08589	11.1
109.06506	0.9
109.10157	4.8
117.06988	0.5
119.08570	6.9
121.10139	5.7
123.11685	2.3
124.03943	100.0
124.83128	0.7
125.04267	0.9
128.06223	0.5
131.08554	1.6
133.10101	2.6
135.11664	4.7
143.08632	0.5
144.09296	0.6
145.10126	3.0
147.11685	4.6
149.13260	1.6
157.10144	1.3
159.11694	2.8
161.13272	1.5
163.14850	0.8
173.13255	1.6
173.74202	0.4
175.14842	1.1
184.07320	0.9
187.14787	1.0
189.16377	1.7
191.18021	0.5
199.14929	0.7
201.16316	1.0
203.18010	1.3
208.76303	0.5
213.16287	0.8
478.32797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05511	1.6
57.07071	0.8
57.09333	0.3
58.28763	0.4
60.08175	0.3
63.55173	0.3
67.05510	2.3
68.05028	0.5
69.07062	1.4
69.86121	0.7
69.86432	0.3
71.08627	1.3
78.02809	0.3
78.03467	0.6
79.05470	1.8
80.05019	4.0
80.93542	0.3
81.07054	4.4
83.04965	1.2
85.10171	0.7
86.09729	0.5
87.90974	0.4
89.06030	0.8
91.05470	2.2
93.07043	5.2
95.04962	1.2
95.08611	4.0
96.04495	3.3
97.10123	0.3
104.10749	1.2
105.07030	4.3
106.02901	0.3
107.08589	5.0
109.06568	0.3
109.10146	3.0
113.00011	0.6
119.08581	3.3
121.06481	1.2
121.10150	1.9
123.11704	0.8
124.03951	100.0
124.99987	1.0
125.04254	0.6
126.88432	0.4
131.08553	0.8
133.08598	0.4
133.10107	2.0
135.11693	2.2
137.13261	0.6
139.01555	1.4
142.13844	0.3
145.10117	1.4
147.11681	2.0
149.13278	0.9
159.11742	0.9
161.13257	1.1
163.14856	0.4
173.13246	0.5
184.07391	1.1
189.16403	0.7
201.16397	0.4
203.18024	0.5
213.16280	0.5
215.18071	0.4
239.17937	0.3
267.21024	0.4
271.15424	0.4
291.23215	0.4
343.30145	0.3
383.45810	0.3
478.33209	0.5
489.14703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	1-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
57.07049	2.3
60.07873	1.6
60.08157	18.3
60.18787	1.4
71.07375	7.0
85.10171	1.8
86.09196	2.7
86.09702	46.2
95.81343	1.5
98.98454	4.4
104.10738	100.0
124.99999	26.5
131.04935	1.7
152.64272	1.6
184.07336	99.8
313.27225	2.5
402.05927	1.5
428.95517	1.6
471.83994	1.6
478.32755	10.0
496.33984	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.4
55.05519	1.6
57.03436	7.3
58.06599	29.4
59.07384	8.9
59.28639	0.3
60.08163	9.6
67.05505	4.3
69.07038	1.2
69.36466	1.2
69.36887	0.5
73.02883	0.9
73.60919	0.3
75.04478	3.9
79.05482	2.7
81.07055	2.9
83.08556	0.3
84.08137	0.5
85.02905	2.2
87.04469	4.9
91.05482	1.5
92.49830	0.3
93.05515	0.6
93.07054	2.8
95.04940	0.6
95.08601	2.0
97.06503	1.1
98.22745	0.7
102.05526	0.5
103.03898	0.6
105.05500	1.0
105.07018	1.0
107.08566	1.0
109.10063	0.7
113.06003	0.4
119.08551	0.7
121.10104	0.6
124.03942	1.5
130.66298	0.3
131.07024	2.1
135.11703	0.5
144.10197	7.5
162.11240	4.6
218.13847	1.0
236.14912	100.0
237.15239	1.6
327.47247	0.3
391.81851	0.4
478.35306	22.9
479.35818	0.9
496.36307	63.6
497.17520	0.4
497.36661	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	497.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02365	3.8
70.02731	3.9
70.06583	2.1
98.97592	4.5
105.07032	3.4
119.64633	1.7
131.06767	1.7
161.06041	3.6
189.99171	1.7
197.60252	1.9
219.01558	2.5
307.85419	2.0
429.10483	4.7
453.11633	11.3
497.10504	100.0
498.10800	4.6
507.18402	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	497.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06582	7.8
81.03407	7.5
85.02865	4.2
86.09701	4.9
103.38717	2.9
110.07155	10.5
113.86432	3.0
141.06627	3.6
146.99557	2.6
161.05991	4.0
181.04956	19.7
182.05309	14.8
344.10773	4.2
411.62143	3.0
445.61954	3.3
453.11642	9.7
497.10464	100.0
497.22318	7.9
498.10721	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	497.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
66.13710	0.8
68.99790	3.1
69.77105	2.4
79.01857	0.8
83.00858	0.6
85.05760	0.7
87.73441	0.7
91.05508	0.9
95.04964	1.8
97.02887	2.8
98.22741	0.9
103.05463	39.2
105.04519	1.0
105.07020	1.3
121.02879	1.1
124.03974	0.9
125.02311	5.5
131.04918	100.0
132.05247	1.4
137.02327	1.5
141.01816	2.9
151.00230	2.0
155.04926	1.2
163.00276	2.2
165.01828	56.6
166.02136	0.9
169.01308	17.7
173.05965	1.7
175.00227	0.9
175.03806	0.9
177.01830	3.8
178.99748	2.4
183.02878	32.3
190.99797	2.8
193.01300	16.3
193.94418	0.9
197.00780	2.5
202.99782	2.4
205.01288	0.8
209.00775	1.2
211.02313	3.9
213.05507	0.9
217.04874	4.9
218.99178	4.7
221.00827	4.5
227.06998	1.9
231.23784	0.7
234.72356	0.7
237.00273	11.7
255.01196	0.9
263.01740	0.7
269.08044	20.2
279.01505	0.7
279.06436	0.8
281.08130	5.1
288.99768	35.1
290.00238	0.8
297.07544	2.3
307.00827	12.3
307.04410	0.9
307.05969	1.2
325.06995	1.6
347.05545	1.0
351.05081	2.6
365.06363	1.1
393.05991	45.9
394.06171	0.9
411.07065	25.7
412.07516	1.1
437.09848	0.7
451.11581	2.8
455.11209	2.0
479.11285	7.0
497.12427	20.7
498.12671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
61.02908	1.0
69.03407	1.8
70.06598	3.0
70.06881	0.6
75.67414	0.5
81.03394	1.2
85.02906	5.0
86.09711	4.2
95.06072	0.6
97.02853	2.1
110.07174	5.7
119.03393	0.8
127.03915	1.0
129.10269	0.5
135.04408	5.2
145.04938	1.0
156.07671	4.9
163.03889	5.5
173.02335	2.6
175.03876	1.3
189.05240	2.7
191.03363	7.1
201.01830	1.2
214.91029	0.6
217.84035	0.7
219.02875	100.0
220.03258	2.7
248.06625	1.3
249.07376	3.9
269.16122	0.7
271.04276	1.0
285.03827	2.1
303.04999	3.1
381.08185	3.0
411.12524	1.7
453.08035	0.9
453.13782	11.1
497.12601	25.9
497.27679	1.2
498.12701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96534	0.3
58.90385	0.3
59.05001	0.3
61.02905	0.5
68.99761	0.4
69.03436	2.5
69.07046	0.3
69.88894	0.6
70.06589	3.0
72.08151	0.4
73.02901	0.3
74.93153	0.7
76.92853	0.9
77.39421	0.3
81.03392	1.0
84.04498	0.4
84.08131	0.6
85.02897	5.1
86.09700	4.3
87.04463	0.3
88.03954	0.4
89.03918	0.9
97.02895	1.9
101.02364	0.4
109.02879	0.5
110.07161	5.7
110.64444	0.3
113.50278	0.3
117.03312	0.3
119.03399	0.7
127.03903	0.9
127.08673	0.4
135.04416	5.9
138.05525	0.4
143.03403	0.8
145.02777	0.6
145.04950	0.8
147.04390	0.7
149.02332	0.5
153.01831	0.5
155.08138	0.4
156.07686	6.4
163.03876	5.1
163.05145	0.5
173.02354	1.6
175.03902	0.7
189.01917	0.6
191.03366	6.4
200.98328	0.4
201.01790	1.1
201.12386	1.5
206.93105	0.5
213.12343	0.4
219.02869	100.0
220.03156	1.8
227.04706	0.5
244.07288	1.5
245.07602	0.6
251.14912	0.5
257.04431	1.0
261.03940	0.4
269.16068	1.2
285.03882	1.7
290.19711	0.4
303.04990	2.4
317.06537	0.4
376.88464	0.5
378.87958	0.3
381.08038	3.0
453.13687	0.6
497.12082	1.2
497.20599	0.5
497.27032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03437	6.2
61.02922	4.5
62.73718	0.7
68.40891	0.7
68.94801	0.7
68.99796	4.3
69.03426	11.3
69.59704	2.2
69.62669	0.8
70.06602	1.1
70.84848	0.7
71.01358	2.4
71.04996	1.3
73.02916	2.8
75.16734	0.8
81.03409	4.0
83.57959	0.8
85.02899	32.1
87.04487	0.9
90.03446	1.1
92.05007	1.4
95.89388	0.8
97.02895	10.5
99.04472	2.2
109.02865	1.9
114.01127	0.9
115.03897	1.1
119.06065	1.2
120.06801	0.8
126.01070	41.4
127.01859	26.2
127.03918	5.1
128.02641	8.5
131.04953	0.9
139.00214	1.2
141.02118	1.8
143.03438	1.2
145.04970	4.8
147.00171	0.8
151.03952	4.6
152.04233	3.4
153.04401	1.8
154.04715	1.0
155.03697	15.2
156.04474	1.2
157.05293	5.4
161.05959	0.9
169.01321	4.9
171.04358	1.3
173.04768	100.0
174.05219	1.6
185.00830	1.7
187.03897	19.5
239.03340	4.1
257.04440	33.5
258.04816	1.1
285.03925	48.4
286.04224	2.4
303.04971	3.1
321.05963	4.7
335.10019	58.1
336.10309	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69766	0.9
69.03415	1.2
70.93166	1.7
95.49284	1.1
107.81079	1.0
124.13561	1.1
145.55777	1.0
219.74696	1.0
227.05165	1.3
245.06406	1.9
248.10223	2.3
249.10970	8.1
249.14677	1.1
251.15089	1.1
271.04257	3.2
289.05295	4.6
307.92761	1.1
411.15598	5.0
453.16776	48.1
454.16904	1.5
475.49991	1.3
497.16312	100.0
498.16623	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	497.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49755	0.5
54.04996	0.4
67.64702	0.5
70.06589	1.0
72.08118	0.4
91.05491	0.5
97.89236	0.4
101.06858	0.4
103.08464	0.5
112.71370	0.5
119.01917	0.5
121.10113	0.4
131.08569	1.7
137.05951	0.4
147.04436	0.4
149.09612	0.7
185.04279	0.6
200.12512	0.4
203.05347	2.1
219.02937	1.7
227.05373	0.5
231.09984	1.3
243.04745	0.6
245.06306	18.4
249.10930	4.5
287.03745	1.3
289.05270	26.5
411.16138	2.1
453.17294	18.1
454.17526	0.9
497.16241	100.0
498.16562	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	497.1792
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
53.03924	2.6
55.01873	5.2
55.05495	4.9
56.96570	3.6
57.03426	3.9
59.04978	3.6
67.05480	9.5
68.29077	2.5
68.99828	2.6
69.03391	2.7
69.79478	7.9
79.05489	17.1
81.03401	5.2
81.07039	11.6
85.02892	3.0
86.06039	3.3
89.06001	3.5
91.05474	11.1
93.07033	8.6
95.04948	11.6
95.08604	22.2
95.98586	2.2
97.02885	3.0
97.06529	31.2
97.82417	2.5
98.97551	7.0
103.40447	2.2
103.95692	2.4
104.98887	2.8
105.07016	13.5
107.04962	19.2
107.08566	4.7
107.23368	2.5
109.06494	15.4
111.04401	3.1
116.98617	5.4
119.04929	5.3
119.08541	3.1
121.02876	12.3
121.06490	4.2
121.09387	2.5
121.10233	2.6
123.04414	4.6
123.08073	34.2
125.06001	16.8
127.03944	4.6
129.06982	3.3
133.06493	12.3
135.04420	16.0
135.11745	3.5
137.05984	5.5
141.07008	6.4
143.08682	2.5
147.04390	13.9
149.05952	5.4
151.07556	17.5
153.05501	5.3
156.65498	2.8
158.65303	2.5
161.05962	15.9
163.03873	8.5
165.01801	2.7
169.08611	5.4
173.02342	5.8
175.07468	3.9
179.07031	8.6
189.09142	13.3
190.02551	5.3
191.03406	2.9
191.07005	6.2
193.08553	3.2
197.08044	6.6
199.07602	4.5
203.03481	2.8
205.05009	3.4
209.06725	2.7
215.07083	18.1
215.10593	3.6
217.08612	4.8
218.05714	9.6
219.06415	7.4
221.04465	10.2
223.05942	5.8
229.04929	2.7
236.06721	2.8
237.07492	14.8
239.05475	8.8
241.08647	3.3
247.06010	89.2
247.08591	4.9
257.08026	5.4
259.09637	8.9
265.07053	100.0
273.07516	3.0
283.07950	6.7
305.02563	3.6
307.14471	2.6
354.64413	2.5
374.13986	3.4
411.16629	4.3
435.14328	4.4
453.19214	4.0
461.15845	5.5
479.16742	51.7
479.26761	3.4
497.17972	99.6
498.18491	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	497.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
67.25815	0.7
70.40735	1.4
73.86035	0.7
76.48223	0.7
81.07070	1.2
83.08566	1.0
105.07074	0.9
164.46877	0.8
170.24947	0.8
185.04141	1.7
203.05103	1.0
205.01845	0.7
227.05258	2.1
231.13499	1.5
245.06348	2.8
249.10953	3.0
249.14542	3.4
271.04230	4.2
283.61496	0.8
289.05228	9.2
411.15732	2.7
411.20636	6.1
421.99408	0.8
427.99820	0.8
453.17197	25.0
453.21719	9.0
454.17358	1.9
497.19608	100.0
498.15305	1.6
498.20166	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	497.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35932	4.3
68.56416	4.0
69.03415	6.8
70.06596	6.8
83.89627	4.9
91.05416	4.7
96.04509	10.4
100.11251	7.1
103.05452	11.0
105.07061	5.7
114.22900	5.1
131.04918	16.3
135.08049	6.0
147.08046	13.4
161.09540	6.7
174.06760	18.6
175.07545	70.3
180.69754	4.1
189.09129	30.6
189.12888	4.5
203.10742	5.8
231.13765	100.0
249.11147	10.6
249.14848	14.0
288.99759	9.1
326.39679	4.8
359.53293	4.6
496.39102	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	497.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81828	0.6
69.68062	2.8
70.06602	0.9
85.02923	0.6
98.22743	1.2
99.14813	0.7
145.05019	0.8
152.82356	0.7
202.76561	0.7
245.06659	0.9
289.05258	5.0
290.05704	0.7
366.39197	0.7
437.79477	0.8
440.85797	0.8
453.17740	2.7
479.19220	1.0
497.17487	7.4
497.23792	100.0
498.17108	1.5
498.24109	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	497.2743
Annotation	Pierisformoside D
Peak:m/z	Relative Intensity
53.03941	5.9
55.01861	4.3
55.05504	10.4
57.03436	7.9
59.02193	2.7
67.05496	20.7
69.03424	15.6
69.07062	11.1
70.16068	5.0
70.16389	4.5
72.08143	3.0
73.02909	10.8
79.05099	2.9
79.05473	18.1
81.03424	7.7
81.07055	19.6
83.04967	6.4
83.08622	5.1
85.02908	37.7
87.00818	6.2
87.04460	33.7
89.06026	20.4
91.05478	15.4
93.07047	21.3
94.88714	3.2
95.04939	15.7
95.08594	48.1
96.08980	3.8
97.02878	11.5
97.06510	13.4
99.04436	5.7
103.05397	3.3
104.02325	2.8
105.07018	18.8
107.04951	13.3
107.08591	21.0
109.02849	8.9
109.06505	12.4
109.10152	18.1
111.04444	12.9
111.08102	3.7
112.95134	2.7
117.06982	6.5
119.04981	4.2
119.08566	33.8
121.02871	11.9
121.06489	6.2
121.10168	13.8
123.04428	3.9
123.08036	32.3
123.11692	8.8
125.05972	6.8
127.03921	10.4
130.07712	4.1
131.08543	8.4
133.06468	5.3
133.08580	9.4
133.10104	16.1
135.04405	11.4
135.08029	10.6
135.11737	6.7
137.05928	4.0
137.09604	9.5
139.07553	7.5
141.06955	6.4
143.08580	7.0
145.04973	4.6
145.10130	14.4
147.04376	5.5
147.08026	4.2
147.11664	8.1
149.09671	6.4
149.13235	13.1
151.03914	5.1
151.07536	13.7
151.11176	8.6
153.07004	3.4
155.08546	3.6
156.09373	3.2
157.10146	10.7
159.11711	12.3
161.05948	17.4
161.09586	4.7
161.13243	6.1
163.03867	4.0
163.11186	6.3
169.10158	6.0
171.11731	5.1
173.05884	5.7
173.09683	4.3
173.13264	6.8
177.11241	6.6
177.12761	9.5
179.07047	9.4
179.14308	3.6
183.11772	8.2
185.09605	4.5
185.13249	8.5
187.11343	3.6
187.14775	4.7
189.09099	8.6
189.12706	4.8
190.02579	3.7
197.08083	4.7
197.13260	9.1
201.12747	3.8
201.16333	6.3
203.14290	6.1
215.07095	12.2
215.10591	4.4
217.08580	6.5
218.05705	9.2
219.06476	6.8
229.04866	4.2
229.12288	9.1
233.08131	3.5
236.06630	3.2
237.07607	10.3
239.05389	5.4
239.17938	7.4
241.08623	5.2
243.13754	4.1
247.05971	65.9
248.06284	4.5
253.19521	7.4
257.08002	4.3
257.19040	4.4
259.09607	4.5
265.07016	69.2
266.07336	3.9
271.20630	6.1
281.18808	5.0
283.08423	3.1
299.20071	23.3
300.20343	7.3
317.21036	70.8
318.21448	9.0
335.22079	100.0
336.22458	3.3
377.89621	3.1
435.14410	7.2
437.16202	4.7
451.08127	5.0
461.16000	6.6
479.17035	17.3
497.17218	23.1
497.24570	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2745
Annotation	Pierisformoside D
Peak:m/z	Relative Intensity
54.62148	4.4
55.05503	8.6
61.02918	8.2
61.55797	4.9
65.03925	4.5
67.05491	12.9
69.03416	16.8
69.07054	6.1
71.04971	4.4
73.02917	5.3
79.05487	11.7
81.03408	8.4
81.07029	15.9
83.04961	4.2
83.08619	7.3
85.02894	30.4
87.04457	11.1
89.06017	6.4
90.63240	3.7
91.05470	12.1
93.07043	25.9
95.05002	8.7
95.08602	32.2
97.02869	10.9
97.06490	3.7
97.45237	3.5
98.22676	6.8
100.90517	4.1
105.01953	3.8
105.07010	10.4
107.04922	5.0
107.08599	12.3
109.02939	6.0
109.06543	4.4
109.10156	22.8
111.04459	15.1
117.07013	7.6
119.08573	37.3
120.66915	4.3
121.02900	4.6
121.06522	4.8
121.10136	14.4
123.08032	10.5
123.11680	11.0
127.03928	6.5
131.08563	9.2
133.10121	11.7
135.08073	8.6
135.11670	8.1
137.09619	11.6
145.10126	11.8
147.11684	8.6
149.13232	9.5
151.03809	5.9
151.11115	8.1
153.95090	3.9
154.53717	3.9
155.08505	4.3
156.09410	3.9
157.10078	7.4
159.08115	4.8
159.11697	15.5
160.12077	4.5
161.13213	8.5
163.11061	5.0
169.10020	5.3
171.11641	6.3
173.13239	10.6
175.14833	4.1
177.12758	8.0
178.86943	4.1
181.42094	3.5
183.11652	7.8
185.13223	7.9
193.08617	4.7
207.17285	4.3
215.43254	4.4
239.13985	4.0
247.06018	10.0
249.14674	4.1
253.19550	9.6
271.20535	10.1
281.19147	4.5
289.21533	7.0
299.20148	26.4
300.20377	6.0
317.21033	60.8
318.21228	7.5
335.22153	100.0
453.20929	8.0
497.19510	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	497.2749
Annotation	Pierisformoside D
Peak:m/z	Relative Intensity
55.01866	4.4
55.05508	9.7
57.03439	4.4
61.02922	3.3
61.34857	2.9
67.05504	22.3
69.03438	18.3
69.07067	6.8
69.15862	20.2
70.06580	4.1
73.02915	7.6
79.05490	20.6
81.03417	14.1
81.07063	20.2
83.04972	4.8
83.08618	8.3
85.02902	39.3
87.00782	3.9
87.04465	34.3
89.06039	22.3
91.05479	13.7
93.07026	20.4
95.04964	9.3
95.08601	39.0
97.02899	11.4
97.06555	10.6
105.07030	25.5
107.04939	9.2
107.08588	17.0
109.02865	5.3
109.06490	7.7
109.10165	20.4
111.04449	11.5
111.08101	4.1
117.07017	5.5
119.04967	3.7
119.08572	36.4
120.08920	3.7
121.02888	9.2
121.06514	5.9
121.10147	14.0
123.08071	22.1
123.11745	9.5
127.03888	15.7
127.92277	2.8
131.08578	7.5
133.06476	4.8
133.08597	13.5
133.10127	16.9
135.04428	10.3
135.08037	11.8
135.11676	5.9
137.06013	4.5
137.09647	12.8
139.07503	3.5
143.08531	7.6
145.04944	3.7
145.10133	16.0
147.08055	5.5
147.11699	6.6
149.09602	5.4
149.13271	11.6
151.03864	4.2
151.07518	8.1
151.11217	6.8
155.08580	3.9
157.10141	10.1
159.11740	17.0
161.05988	13.9
161.09650	7.1
161.13272	11.4
163.03821	3.3
163.11166	6.9
169.08676	3.7
169.10071	4.9
171.11705	8.8
173.13295	6.0
175.11124	4.4
175.14899	3.3
177.05470	5.4
177.12750	7.3
179.07016	4.2
179.14220	4.9
183.11688	8.5
185.13298	6.0
187.14841	7.3
189.09099	7.4
197.08054	3.1
197.13240	8.2
201.12759	5.0
201.16406	5.4
207.17461	3.7
211.14809	3.3
213.16367	5.2
215.06960	7.0
215.10693	4.5
217.08614	4.6
217.12428	3.2
218.05725	6.1
221.04488	5.0
221.07971	3.3
229.12273	5.1
237.07576	6.0
239.18028	7.3
243.13869	4.2
247.05978	48.8
247.13261	4.5
253.19604	3.6
257.08127	4.1
257.15427	3.6
265.07056	38.3
271.20551	9.6
281.19000	5.5
287.05338	4.3
289.21686	9.9
299.19986	25.9
300.20450	8.0
317.21118	62.5
318.21439	4.0
318.91028	3.3
335.22168	100.0
336.22501	5.0
341.49442	3.1
342.69397	2.9
452.17758	3.6
461.15958	7.2
479.17145	12.1
497.17639	14.0
497.24445	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01865	5.4
55.05510	29.4
57.03432	28.3
61.02929	67.0
65.03954	7.0
67.05503	100.0
68.06403	2.4
69.03430	41.3
69.07072	22.1
69.28898	15.0
71.01356	6.6
71.04997	6.6
73.02917	30.9
78.03467	5.7
79.05489	65.1
80.05000	2.6
81.03407	24.8
81.07054	93.9
83.04980	10.0
83.08611	8.6
85.02901	61.0
85.06535	3.3
91.03959	43.8
91.05473	49.1
93.07041	68.9
93.07598	5.2
94.69796	2.8
95.04953	15.3
95.08604	75.7
97.02338	4.5
97.02903	53.3
97.06522	5.1
97.10185	6.0
98.22688	5.8
99.04467	9.9
101.02387	12.6
103.03947	7.2
105.04511	3.5
105.07027	35.0
106.02914	8.8
107.08592	42.0
108.51758	3.2
109.02876	9.9
109.06530	7.2
109.10149	27.5
111.04462	9.3
111.08054	4.1
115.03947	5.6
117.07020	17.8
119.08581	33.6
121.10155	39.9
123.11710	11.0
124.03963	49.4
127.03894	17.9
129.05457	3.5
129.07019	5.4
131.08571	23.4
133.10150	20.6
135.08083	4.2
135.11699	23.3
137.13339	3.9
141.07050	4.5
143.08536	7.2
145.05000	7.0
145.10127	23.2
147.11668	23.4
149.13268	12.0
149.91589	2.9
157.10164	7.4
159.11703	16.3
161.09592	4.0
161.13263	15.1
163.14832	10.3
167.08621	3.1
169.10194	4.4
171.11723	6.9
173.13266	11.4
175.14803	3.4
183.06548	5.2
183.11707	5.6
185.13290	5.5
187.14867	12.5
195.11717	3.5
197.13304	3.3
201.07709	3.2
201.12828	3.3
209.13300	2.8
211.14806	3.8
236.15054	3.7
243.20992	5.2
259.20551	3.9
261.22079	23.8
291.35928	2.8
297.18692	4.1
301.21701	3.3
315.19522	5.1
315.23001	4.0
335.25793	58.1
369.24329	5.4
461.28903	4.1
463.30374	6.0
479.29776	5.1
497.17410	2.8
497.30701	17.0
498.24893	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	497.3237
Annotation	Stypodiol diacetate
Peak:m/z	Relative Intensity
71.09176	1.3
79.05492	2.1
81.07044	5.0
83.01100	3.9
83.04984	1.5
89.06028	14.5
90.06361	2.0
91.05482	2.2
93.07034	5.4
95.08588	1.9
105.07035	3.0
107.08578	5.8
109.10127	1.0
119.08575	2.0
121.10126	1.3
124.03978	2.5
133.08627	4.9
133.10132	1.6
134.08928	1.1
135.11693	1.5
147.11717	1.0
150.06503	2.3
177.11197	1.5
283.17484	4.9
284.17877	1.8
377.28043	12.9
378.28766	1.1
437.30258	78.8
438.30728	3.8
497.32343	100.0
498.32648	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	497.3238
Annotation	Stypodiol diacetate
Peak:m/z	Relative Intensity
50.40355	0.8
50.92647	0.7
52.65237	0.8
52.97543	0.9
55.05499	1.2
57.07061	1.2
67.05495	2.4
79.05485	3.3
81.07052	5.2
83.01110	2.2
83.08631	1.3
86.21750	0.8
89.06021	2.1
91.05461	2.4
92.19926	0.8
93.07031	3.8
93.29479	0.9
95.00053	1.0
95.08616	2.9
105.07024	3.1
107.08586	2.7
109.10125	1.0
119.08577	2.1
121.10098	1.5
124.03969	2.5
131.08545	1.2
133.08618	1.0
133.10106	1.5
143.26881	0.8
159.11656	1.2
249.92908	1.0
255.86223	0.9
377.28119	7.7
429.95282	0.8
437.30255	100.0
438.30542	6.1
475.93781	0.9
497.32318	40.8
498.32773	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	498.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99649	0.2
59.04996	1.3
61.55811	0.1
63.00041	0.8
65.03930	0.2
67.05501	0.3
68.99792	0.1
69.03427	0.2
69.07031	0.2
73.02912	0.8
73.06517	0.2
79.05498	1.0
80.05493	0.3
81.60052	0.2
86.06062	3.1
87.04471	0.9
89.05529	0.2
89.06029	2.1
91.05468	1.0
95.04957	0.6
95.08607	0.3
97.06517	0.7
98.06878	0.2
98.22708	0.5
102.06818	0.2
103.05452	0.2
103.07590	0.5
105.07028	1.3
107.02615	0.2
107.04941	0.7
109.06532	0.2
118.04167	0.3
119.04939	1.8
120.02113	0.3
121.02864	2.8
123.08075	0.6
124.03927	0.2
124.08302	0.1
125.06007	0.1
127.01556	0.2
131.07047	0.2
132.98560	0.2
133.06471	0.7
133.08597	1.2
135.04401	0.9
145.02835	4.8
147.00781	0.7
147.04471	0.2
147.10159	0.3
151.07590	0.3
163.03963	0.2
165.01839	6.0
169.01378	0.2
169.08641	0.2
177.05460	0.6
177.11212	0.4
179.03398	0.3
181.06413	0.3
183.02939	0.5
202.10854	0.2
210.06775	1.9
219.06435	0.2
221.06039	0.9
221.07915	0.2
237.05441	3.0
237.07523	0.3
238.06139	1.9
238.08066	0.2
239.07095	1.3
243.15060	0.2
247.05991	0.9
248.06342	1.0
253.08592	3.4
265.04785	1.9
265.07565	0.9
266.07330	1.0
269.08237	0.2
270.05258	0.2
279.10318	0.2
283.05939	0.4
287.05432	0.2
296.29306	0.2
297.07559	100.0
298.04724	0.3
298.07895	3.7
298.10895	0.3
299.09137	0.2
307.09628	0.2
367.11789	0.3
419.13605	0.2
422.16058	0.9
449.14737	0.2
456.08585	0.2
466.14960	0.2
480.16611	3.1
481.17300	0.2
498.18106	0.9
499.19891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
53.76704	1.8
55.01860	5.8
57.03437	14.8
59.04980	3.0
60.04527	2.9
61.02924	4.2
67.85426	2.2
68.99778	2.8
69.03423	93.9
70.47256	2.2
70.47622	2.9
71.04988	6.5
73.02901	4.8
81.03411	26.4
81.07031	2.1
83.01287	1.9
83.04980	10.1
83.08610	2.0
83.25512	1.8
85.02896	100.0
85.87105	1.8
87.00824	42.0
87.04464	24.0
87.67607	2.0
95.08639	2.1
97.02882	73.3
99.04431	13.5
105.01856	66.5
109.02856	30.3
111.04440	5.6
111.08108	2.7
115.03925	30.3
121.06509	2.6
127.03908	67.0
129.05510	3.1
133.04971	19.8
139.03868	2.7
141.09131	3.4
145.04942	29.5
147.02861	2.6
150.07610	18.2
151.07516	4.0
159.02907	9.2
171.02834	2.3
176.70891	1.9
177.05492	5.8
189.04010	3.5
191.10684	2.1
205.04990	4.5
209.11726	10.6
213.03920	4.9
218.39706	2.0
223.06065	3.1
231.04965	27.6
241.06996	11.3
249.06042	9.0
269.13651	3.0
273.05893	2.3
288.75479	2.0
295.11765	15.8
313.12732	3.1
323.05255	8.4
327.06955	12.1
331.13870	2.8
345.08118	12.3
433.71320	2.1
454.21402	2.2
498.19940	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	498.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.6
51.02378	0.7
55.01872	0.7
55.05505	2.6
62.21569	0.3
65.03935	0.7
67.05505	4.9
69.03425	1.5
69.07070	1.5
71.04980	1.5
71.19170	0.4
73.14988	0.3
78.03452	12.8
79.05491	3.1
80.05015	1.6
81.03432	0.7
81.07055	3.7
83.04962	1.9
83.08621	0.9
85.02906	0.3
85.20484	0.3
91.05473	4.2
93.07035	6.1
95.04951	2.2
95.08599	4.2
96.04485	3.4
97.02894	4.5
97.06526	1.2
98.60946	0.3
105.04524	0.4
105.07021	10.5
106.02913	29.2
107.03296	0.4
107.04965	0.6
107.08589	5.3
109.06532	1.6
109.10151	1.7
111.04458	3.0
111.08096	1.0
112.54928	0.3
113.05958	0.6
114.46095	0.3
115.05500	0.5
117.07027	1.8
117.92513	0.3
119.04987	0.3
119.06108	0.5
119.08578	17.0
120.08900	0.5
121.06505	1.3
121.10146	3.4
123.08098	1.2
123.11753	0.3
124.03947	33.4
125.04272	0.7
125.05973	0.6
126.02345	0.3
128.06223	0.6
129.07001	1.4
130.07841	0.6
131.04951	0.6
131.08557	3.7
133.06461	0.4
133.10129	5.2
135.08018	2.1
135.11681	0.9
137.05888	0.5
137.09576	0.4
140.76668	0.3
141.05475	1.5
141.06969	0.7
142.07777	1.6
143.08551	3.6
144.09320	0.7
145.10117	5.9
147.08054	1.0
147.11679	14.0
149.09593	1.7
151.07576	0.7
153.07031	0.6
154.07761	0.4
155.07031	1.1
155.08585	1.4
156.09334	2.7
157.10138	7.0
158.10912	1.3
159.08092	0.7
159.11687	7.2
161.09656	1.8
161.13274	3.4
163.07433	0.5
163.11185	0.7
165.07048	0.8
167.08592	1.1
169.10115	3.0
170.10913	3.2
171.11674	8.2
172.12383	0.7
173.09657	0.9
173.13254	5.1
175.11188	1.5
175.14815	2.4
176.11906	0.7
177.12787	0.4
178.69000	0.3
179.08553	0.7
180.09344	0.9
181.08681	0.7
181.10098	2.2
182.10997	0.7
183.11719	2.3
184.12466	2.1
185.09720	0.6
185.13231	6.1
186.14027	1.5
187.11227	0.8
187.14764	2.1
189.12746	1.7
193.08609	1.2
193.10170	1.0
194.10831	0.8
195.10130	1.0
195.11668	5.8
196.12476	0.8
197.13257	3.0
198.14143	0.8
199.11195	0.9
199.14809	7.3
200.15512	0.4
201.16397	1.0
203.10674	0.4
203.14284	3.7
204.15070	1.7
205.12155	0.5
205.15823	1.7
207.11789	1.5
208.12479	1.4
209.13246	3.9
211.14836	1.5
213.09183	0.5
213.12770	1.1
213.16284	2.0
214.31732	0.3
215.10625	0.5
217.12132	0.3
217.15710	0.3
220.12466	0.5
222.14032	2.4
223.11382	0.4
223.14868	1.9
227.10690	0.4
227.14365	0.6
227.17975	1.2
235.14847	1.3
236.09210	0.4
237.12802	0.4
237.16347	6.0
238.16893	0.5
239.14456	0.4
251.17987	1.6
255.13863	0.3
255.17545	1.5
257.15384	0.4
269.19110	0.7
279.17462	1.4
282.16248	0.7
287.16687	0.4
287.20001	0.8
297.18555	3.3
315.19528	24.5
316.19919	0.9
340.15503	0.8
349.12488	0.3
438.22800	3.0
498.24835	100.0
499.25159	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	498.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05282	0.5
55.05509	4.5
63.18439	0.4
65.03944	0.6
65.06335	0.4
67.05501	3.3
68.22810	0.4
69.03426	14.4
69.07047	1.4
69.53635	0.8
69.54027	0.9
70.04786	0.4
78.03441	4.2
79.05478	3.0
80.05008	3.7
81.03403	7.3
81.07054	5.7
83.04980	10.6
83.08613	0.6
85.06522	0.7
91.05463	4.5
93.07046	5.5
95.04943	2.2
95.08607	6.8
96.04470	2.2
97.06524	0.7
105.07033	8.0
106.02916	6.8
107.08581	4.8
109.06516	1.0
109.10142	1.6
111.04441	14.0
113.05984	0.9
115.05403	0.7
115.93374	0.4
117.07010	2.4
119.08575	7.6
121.06478	1.1
121.10140	3.3
121.98706	0.4
123.08034	0.7
124.03944	100.0
125.04261	1.7
128.06192	1.0
129.07024	2.6
130.07768	0.4
131.08554	7.3
131.69086	0.4
133.06407	0.6
133.10107	4.9
135.08029	0.5
135.11653	0.8
137.09567	0.4
141.06976	1.8
142.07764	1.7
143.08517	3.7
144.09334	0.5
145.06456	0.7
145.10117	10.3
147.08043	1.2
147.11664	2.4
149.09682	0.7
149.13307	0.8
153.07036	0.6
154.07790	0.6
155.08566	2.7
156.09303	1.7
157.06573	0.4
157.10120	4.9
158.10892	0.8
159.08025	0.8
159.11678	7.5
161.09612	1.3
161.13252	2.0
163.11153	0.9
165.06969	1.5
167.08537	2.4
168.09279	0.5
169.10104	4.5
170.10834	0.8
171.07983	0.6
171.11665	3.8
172.12413	0.7
173.09570	0.6
173.13237	2.3
175.11235	0.6
175.14868	1.0
177.12721	0.7
177.16396	1.9
179.08536	1.1
180.09430	0.6
181.10121	2.8
182.10933	1.2
183.11671	3.4
184.12459	0.7
185.09583	0.9
185.13231	3.3
187.11188	1.3
187.14803	11.3
189.12773	1.0
193.10150	1.7
194.10805	0.8
195.11639	3.1
196.12404	1.3
197.13229	3.3
199.11115	1.1
199.14825	2.1
201.12839	0.7
201.16383	1.4
203.14354	2.2
205.10094	0.6
205.15862	6.3
207.11693	1.3
208.12419	0.6
209.13274	2.1
210.13907	0.7
211.11180	0.5
211.14816	2.7
213.12759	1.0
213.16245	0.9
215.14288	2.6
216.14613	0.6
217.10242	0.5
220.12349	0.7
221.13260	0.9
223.10939	0.5
223.14868	1.2
225.16394	2.4
227.14267	1.2
229.15880	2.0
235.14796	1.5
236.15596	0.4
241.15894	0.5
246.88432	0.4
251.14250	0.6
251.17873	2.4
253.15840	1.5
261.16348	1.1
269.18991	2.8
279.17496	2.9
297.18463	4.7
315.19412	1.1
320.21030	0.5
328.18967	4.6
438.22604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89190	0.2
53.03931	0.4
55.05499	0.5
67.05486	0.8
67.76469	0.2
69.07052	0.4
69.83272	0.2
69.83607	0.3
78.03431	0.9
79.04227	0.2
79.05490	0.5
80.05007	3.7
81.07030	0.9
83.08612	0.2
91.05479	1.3
93.07043	1.0
95.08592	2.8
96.04486	3.3
98.23486	0.2
105.07008	2.0
106.02907	1.1
107.08596	1.7
109.10156	0.7
111.04440	0.3
117.07003	0.4
117.33543	0.2
119.08577	3.7
121.10145	0.7
123.08043	0.2
124.03941	100.0
125.04274	1.3
127.03865	0.2
131.08559	1.0
133.10126	4.5
135.11705	0.6
140.03458	0.3
143.08533	0.5
145.10100	2.4
147.10922	0.2
147.11697	1.6
156.09319	0.4
157.10114	1.1
158.10844	0.3
159.11700	1.2
161.13252	0.6
168.09323	0.3
169.10149	0.3
170.10829	0.3
171.11699	0.7
172.12437	0.3
173.13240	0.7
177.16411	0.4
179.08633	0.3
180.05406	0.2
181.10115	0.3
183.11714	0.5
185.13260	1.0
187.14796	3.5
188.15311	0.2
189.16365	7.4
195.11710	0.6
197.13246	0.3
199.14795	0.5
201.12843	0.2
201.16374	1.2
202.17131	0.7
203.17964	0.4
205.15852	0.6
207.11684	0.3
209.13278	0.4
215.10707	0.3
215.17989	0.5
227.10625	0.2
233.11552	0.2
237.16420	0.6
251.17969	0.7
255.13922	0.2
269.07928	0.2
297.18445	1.4
315.19489	5.4
316.19763	0.3
333.20581	0.3
403.07227	0.4
497.77570	0.2
498.24942	9.3
499.25201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
52.65939	0.7
55.01851	0.7
55.05505	1.4
57.07076	1.0
64.50183	0.6
65.80750	0.6
66.68527	0.6
67.05506	5.0
69.03434	0.7
69.07043	1.9
70.24723	0.6
70.50250	0.7
78.03447	6.2
79.05496	4.0
80.05012	3.1
81.03416	1.6
81.07051	4.6
81.90597	0.6
83.04977	0.8
83.08627	0.7
85.02929	1.0
87.04456	0.8
91.05486	5.2
93.07040	6.1
95.04977	2.0
95.08606	4.0
96.04486	3.5
97.06524	2.9
98.06862	0.7
101.06018	1.2
101.93199	0.7
105.07030	6.2
106.02908	12.1
107.08572	4.6
109.06469	0.9
109.10139	1.4
111.04433	2.6
115.05471	0.7
117.07000	1.9
119.04935	0.9
119.08577	4.7
121.02790	0.6
121.06448	0.7
121.10143	3.8
124.03947	100.0
125.04300	1.3
126.17376	0.7
127.03902	0.7
128.06213	1.4
129.06982	1.8
131.08574	3.3
133.06462	0.8
133.10107	3.4
135.08029	1.2
135.11665	1.6
138.97438	0.7
143.08568	2.3
145.10123	5.0
147.04375	0.9
147.07945	0.9
147.11668	1.1
149.09537	1.0
149.13246	0.8
155.08481	1.2
156.09325	1.3
157.10129	3.1
159.11702	2.3
161.09731	1.4
167.08591	0.9
169.01294	2.4
169.10184	1.4
171.11737	2.7
173.13225	1.2
181.10164	1.2
183.11667	1.7
185.13242	2.0
187.11169	1.3
187.14789	1.3
189.08980	0.8
195.11623	1.4
197.13243	0.9
199.14812	1.6
209.13286	1.5
211.14795	0.7
213.12711	1.0
221.13409	0.7
226.86485	0.8
227.18123	0.8
231.13806	0.9
241.19418	1.2
251.18040	1.1
254.06233	0.7
265.07162	2.5
266.07321	1.5
269.19067	1.2
279.17331	1.4
287.05435	1.1
287.20087	1.5
288.05765	2.5
297.18518	4.3
315.19467	1.5
438.22720	6.7
452.17871	0.9
480.17496	4.8
498.18185	6.7
498.24945	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	498.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40021	1.0
55.05511	5.5
57.07069	2.4
65.03956	1.3
65.25766	1.0
67.05502	10.7
67.41846	0.9
68.54575	0.9
69.03429	4.2
69.07082	5.3
69.84106	3.9
78.03461	2.5
79.05499	5.6
81.03404	2.5
81.07058	15.8
83.04977	3.4
83.08582	2.6
86.09686	1.6
89.06020	1.2
91.05486	10.8
93.07030	8.9
94.55402	1.1
95.04967	5.1
95.08605	20.7
98.22749	1.2
104.10755	1.6
105.03393	12.9
105.04531	1.8
105.07024	22.4
106.02895	3.6
107.08578	9.6
109.06551	2.0
109.10139	7.3
111.04447	10.5
115.05452	1.2
117.07008	4.3
119.08575	41.4
120.08903	1.4
121.06518	2.8
121.10143	6.9
123.08114	1.9
124.03947	28.5
127.07652	1.1
128.06261	1.5
129.07021	3.3
131.08551	9.4
133.10120	54.3
135.11684	4.1
136.14511	1.0
141.07010	2.2
142.07758	3.0
143.08542	7.3
144.09317	1.6
145.10118	16.1
147.08028	1.3
147.11690	14.7
149.09598	1.3
149.13290	1.2
151.07599	1.3
155.08490	6.1
156.09337	3.3
157.10121	11.6
158.10844	1.3
159.08003	1.6
159.11696	21.5
160.12161	1.6
161.09613	1.6
161.13228	6.4
168.09346	1.4
169.10136	10.0
170.10939	3.9
171.08041	1.3
171.11691	13.5
172.12491	1.1
173.09605	2.7
173.13220	10.6
175.11098	1.1
175.14763	2.2
179.10677	1.1
181.10159	3.2
182.10928	1.9
183.11667	11.3
184.12408	2.0
185.13249	14.2
186.14008	1.7
187.11192	3.6
187.14832	7.4
188.15535	1.3
189.16374	5.2
191.10625	1.7
193.10121	1.2
195.11691	5.3
196.12399	1.5
197.13252	15.2
199.11227	2.6
199.14815	8.9
201.09166	1.1
201.12831	1.4
201.16371	6.9
203.10774	1.9
205.12256	4.0
205.15758	2.9
207.11690	1.3
209.13274	3.0
210.13907	1.4
211.14771	9.3
213.12852	1.4
213.16333	3.3
215.10721	1.3
217.12224	4.2
221.13260	1.3
223.11108	1.3
224.15546	1.4
225.12717	1.6
225.16322	3.3
229.12202	5.9
231.13884	2.8
237.16365	4.1
238.17194	1.3
239.14262	2.5
239.17908	10.5
243.13708	4.9
243.21036	1.5
253.19487	21.5
255.21057	3.9
257.15302	3.7
263.18033	2.1
269.19016	1.5
271.20621	3.8
281.18994	9.9
297.18530	2.0
299.20029	100.0
300.20453	4.2
315.19409	3.3
316.19839	4.3
317.21060	6.0
328.18979	1.6
359.22424	1.4
498.24423	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	498.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05504	1.8
57.03436	7.1
57.07039	0.4
58.06598	29.3
59.04950	0.5
59.06916	0.5
59.07382	9.7
60.08161	8.5
62.03832	0.4
67.05501	5.6
67.73715	0.3
69.03397	1.3
69.07072	2.0
70.25815	0.4
73.02895	0.7
75.04482	4.0
78.03443	0.7
79.05503	1.8
81.07054	4.7
83.04939	0.8
83.08575	0.7
84.08125	0.5
85.02907	2.4
87.03978	0.5
87.04465	5.5
91.05483	1.9
93.05479	0.6
93.07017	1.7
95.04940	0.6
95.08604	4.0
103.03959	0.5
105.05471	0.9
105.07021	2.9
106.02893	1.5
107.08586	0.7
109.10131	1.1
111.04398	0.9
113.05959	0.6
119.08555	1.0
121.06509	0.5
121.10125	0.6
124.03123	0.6
124.03954	9.0
124.93684	0.4
131.07004	1.6
131.08548	0.8
133.10080	0.5
143.08488	0.6
144.10194	7.2
145.10101	1.2
147.11662	0.6
157.10146	0.4
159.06516	0.9
159.11641	0.8
162.11253	4.4
175.14700	0.5
183.11563	0.5
187.14809	1.0
187.74976	0.3
200.12868	0.5
205.15865	0.9
208.37575	0.4
209.13281	0.5
211.14908	0.5
218.13828	0.7
229.39333	0.4
236.14911	100.0
237.15144	2.1
269.43436	0.5
315.19485	0.8
381.65570	0.5
407.72989	0.5
436.38248	0.5
437.20135	0.5
438.22876	0.5
480.36853	21.5
481.37277	1.4
498.25354	3.2
498.37875	63.4
499.38928	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	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.4
57.07074	37.2
67.49513	1.5
69.07058	2.3
69.76797	3.2
69.77148	3.2
70.06562	1.7
71.08635	25.7
71.85193	1.5
73.06545	7.2
73.06901	1.9
83.08593	1.5
85.10180	18.3
87.04459	2.8
87.68555	1.5
89.06025	100.0
91.07576	2.2
95.08606	2.5
97.10155	2.9
98.23338	2.5
99.11726	3.2
100.58595	1.6
107.07052	2.7
117.09111	5.0
124.03949	5.1
131.07077	1.5
133.08603	55.9
148.65155	1.6
155.17934	6.4
177.11205	16.2
199.20546	6.1
200.67874	1.6
221.13829	3.1
239.14915	3.8
241.90770	1.6
243.23193	6.7
283.17648	2.1
287.25760	4.7
327.20139	10.5
354.70709	1.8
421.82578	1.6
481.37189	11.0
498.40430	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	499.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98241	2.2
69.28732	0.9
69.29139	2.3
71.64849	0.5
103.00583	0.5
104.99264	0.8
128.67952	0.6
139.96675	0.5
185.04208	0.8
203.05241	1.5
225.99287	0.5
245.05002	0.9
253.02908	11.5
269.00320	100.0
270.00583	2.2
283.02188	0.6
335.20813	0.6
365.10471	6.5
387.12979	0.6
437.04541	0.6
499.04364	10.1
499.15384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
56.05029	0.9
58.99556	0.7
68.05030	0.9
68.99799	0.8
70.02951	1.6
70.84216	0.5
80.05019	2.6
82.01871	0.4
84.04509	3.4
84.97491	8.4
86.00654	0.6
88.39484	0.4
96.04485	1.5
98.71259	0.4
103.05475	2.4
105.03395	0.7
105.07027	1.8
108.04478	1.5
110.06033	0.8
110.99025	3.4
113.00571	1.0
114.05531	0.9
121.02790	0.4
125.00560	0.6
131.04929	9.5
136.03943	1.2
138.98486	0.4
140.96408	0.8
141.00061	1.8
142.04970	1.0
149.00555	0.4
151.02144	0.5
153.00055	0.6
154.97983	1.0
162.05598	0.8
162.98480	5.3
168.04774	0.8
178.03191	0.8
180.99548	5.1
182.97504	1.3
184.99016	3.4
188.99997	0.6
190.97923	1.0
191.03473	0.4
192.99600	0.6
196.04198	0.4
196.99046	0.5
199.00549	0.5
200.98520	9.9
201.00221	0.8
204.02893	1.0
206.02702	0.7
207.01053	0.8
207.98256	0.5
208.99043	19.9
209.99399	0.5
211.07167	0.9
218.02844	0.4
219.01062	1.2
219.02907	1.0
220.99010	6.2
223.00723	1.2
224.03836	0.6
224.98470	0.8
227.00095	6.2
230.04539	0.9
231.03021	0.7
231.05246	0.5
232.99060	0.5
235.00606	4.1
236.98531	8.6
237.00792	0.4
237.03798	0.7
239.00114	1.6
239.05235	1.3
243.04424	0.6
246.02182	0.6
247.00542	3.7
248.98532	0.7
249.02130	0.7
251.00142	0.7
254.99561	2.9
258.03934	5.9
258.06433	0.6
259.04730	1.0
263.00070	9.0
264.00684	0.5
264.03214	2.1
265.01642	1.0
265.67017	0.4
266.01175	0.5
267.04868	1.2
274.01691	1.8
275.00052	3.1
276.04950	0.7
277.03171	0.6
285.05725	0.8
287.03702	1.8
292.02747	16.8
295.04300	1.7
308.09113	1.7
310.03836	2.5
312.01593	1.2
313.05261	9.2
320.02151	0.9
325.05347	1.9
341.04654	9.1
351.06754	0.9
362.10193	6.3
363.10989	3.2
367.06616	0.5
378.07571	0.6
392.73978	0.4
395.05469	1.5
396.09006	100.0
397.09323	4.5
416.07956	0.9
424.08481	21.8
425.08844	1.1
499.11566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
56.05034	1.2
56.38820	0.3
58.65906	0.3
58.99571	0.5
68.05030	1.3
68.99780	0.9
69.16968	2.4
70.02946	1.7
79.05491	0.3
80.05009	2.9
84.04503	2.8
84.97492	9.8
86.00653	0.6
96.04498	2.0
103.05475	2.9
105.03422	0.7
105.07034	1.6
108.04489	1.5
109.05260	0.5
110.06039	0.7
110.99020	3.8
113.00597	1.0
114.05511	0.9
128.76688	0.4
130.04994	0.6
131.04929	10.6
132.05289	0.6
136.03918	1.8
137.00569	0.7
138.98595	0.5
140.01649	0.5
141.00061	1.6
142.03227	0.4
142.05016	1.2
149.00580	0.6
151.02094	0.8
153.00012	0.6
154.98001	1.1
161.00565	0.4
162.05536	0.5
162.98505	4.7
168.04735	0.5
178.03204	1.0
179.01620	0.6
180.99535	5.2
182.50288	0.4
182.97481	0.7
184.99040	2.4
189.00089	0.9
189.01726	0.7
190.98026	1.3
191.03394	0.7
192.99629	0.9
196.99031	0.6
199.00597	0.4
200.98520	9.6
201.00243	0.8
201.05414	0.6
202.04961	0.6
203.05766	0.5
204.02991	1.2
206.02722	0.8
207.01149	0.5
207.98254	0.5
208.99042	20.9
209.04384	0.5
211.07085	0.7
217.04968	0.5
219.01100	1.0
219.02951	1.0
220.99060	5.4
222.04073	0.5
223.00575	1.2
224.03732	0.9
224.98477	1.0
225.99197	0.6
227.00055	7.4
230.04471	1.1
231.05223	0.7
235.00621	4.6
236.03857	0.4
236.98547	7.7
237.00833	0.3
237.03909	0.8
239.00154	2.5
239.05263	0.6
241.03398	0.6
243.04439	0.8
246.02174	0.6
247.00610	4.1
248.98561	1.0
249.02087	0.6
253.03366	0.4
254.99606	3.0
255.06548	0.5
258.03992	6.3
259.04727	1.5
263.00058	10.0
264.00552	0.5
264.03226	2.2
265.01663	1.3
266.01160	0.5
267.04712	1.4
271.04166	0.8
274.01749	1.9
275.00055	3.1
276.04980	1.1
277.03012	0.7
285.05624	0.5
287.03659	1.8
292.02734	18.1
293.01065	1.0
294.04602	0.4
295.04257	2.5
308.09229	1.8
310.03842	2.1
312.01611	1.2
312.99857	0.5
313.05276	10.2
314.05936	0.4
320.02209	1.1
323.09195	0.6
325.05316	2.4
339.06824	0.5
341.04721	10.1
350.08569	0.7
351.06964	1.4
353.06442	0.5
362.10187	7.4
363.10974	3.3
367.06342	0.5
378.07993	0.6
395.05841	1.7
395.10535	0.4
396.09000	100.0
397.09232	5.1
416.07870	1.2
424.08466	18.9
425.08676	0.9
499.12057	0.8
499.19559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17265	1.8
70.06588	8.9
70.96803	2.9
84.04482	3.6
84.08189	2.4
86.09675	2.3
98.97594	3.6
116.98508	2.5
121.02885	2.7
147.04413	2.3
161.05997	2.4
203.03310	3.8
219.01881	2.9
251.06836	3.0
307.06052	2.5
321.07639	7.9
322.08212	2.5
349.07034	4.0
351.08823	4.3
379.07986	5.1
413.11356	3.5
455.13098	18.1
463.10275	4.1
481.11249	7.5
499.12000	100.0
499.17957	51.8
500.12018	4.0
500.18521	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	499.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11136	1.1
52.19836	1.2
69.35275	3.5
69.35680	3.2
70.06580	12.3
71.13493	1.3
72.08125	1.4
77.51914	1.4
84.04516	1.7
84.08111	2.5
85.02843	1.3
86.09698	2.1
94.58073	1.3
97.52522	1.5
98.22720	1.5
104.83476	1.2
107.04939	1.4
121.02824	2.8
129.10287	1.4
147.04356	1.8
155.42807	1.3
167.03859	1.2
203.03336	2.3
237.02844	1.5
251.06624	1.9
287.75861	1.4
307.06183	1.4
308.06500	2.2
321.07520	5.4
349.06882	4.0
351.08820	2.7
379.07864	4.2
398.68713	1.2
413.11255	3.5
455.12964	13.4
463.09982	2.2
481.11209	6.8
482.12454	1.7
499.12045	100.0
500.12598	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	499.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23617	5.7
70.06584	11.1
74.27189	4.3
79.60355	4.5
108.61688	4.2
120.60165	4.8
137.05969	5.2
137.33420	4.6
185.85483	4.8
202.58586	4.7
214.49966	4.7
297.04807	6.0
312.81616	4.5
499.12009	100.0
500.12619	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	499.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56881	1.0
65.75140	1.0
68.99780	3.1
86.30514	1.0
91.05499	1.2
98.10998	1.2
103.05456	6.9
105.03389	2.0
120.30019	1.1
122.91077	1.2
126.05560	1.2
129.03401	1.7
131.04910	22.3
165.01790	1.6
168.05489	1.8
185.00797	3.1
188.97929	10.7
189.98756	2.4
201.05479	4.4
205.04942	2.8
206.99037	4.7
209.00761	1.7
212.84111	1.4
229.04921	2.1
230.04539	2.6
232.05862	1.5
271.06033	2.5
292.61349	1.3
293.04178	100.0
294.04938	30.3
295.05560	1.7
295.82089	1.3
307.02261	1.6
309.07391	2.1
317.04266	2.8
335.05222	26.5
353.06284	9.7
377.06339	6.0
393.10709	1.2
395.07474	11.6
413.08398	2.2
421.10410	5.7
437.06476	2.8
439.11478	65.4
440.11694	4.7
450.15427	1.8
468.16589	9.8
481.05463	2.1
481.12433	1.8
499.13495	60.5
500.13989	1.7
505.52740	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	499.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39503	1.0
51.24776	0.9
67.01864	48.8
68.99781	2.4
69.50190	3.3
69.50595	2.5
83.01336	21.5
94.39291	1.0
95.01350	2.6
95.04972	2.3
103.04774	2.1
103.05462	44.0
105.04522	1.2
127.03880	1.5
131.04921	100.0
132.05307	1.5
135.00783	5.6
145.01303	27.1
163.00247	19.7
167.03391	4.8
173.06015	2.4
181.01306	69.3
182.01634	1.3
195.02895	6.5
216.31049	1.1
231.06438	1.1
249.00294	2.3
249.05423	1.7
267.01462	2.0
267.06464	11.6
281.02850	1.5
291.01428	4.2
309.02380	82.9
310.02707	1.3
325.03033	1.0
335.05618	10.4
353.06430	1.7
381.05823	1.5
395.07730	5.4
411.08578	1.2
413.08716	2.6
449.09918	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	499.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04978	0.5
61.86262	0.3
66.75999	0.3
67.05482	0.3
67.76622	0.2
69.03418	0.4
69.37428	1.2
70.06588	0.6
86.09689	0.4
96.05564	0.3
98.22717	0.5
98.98476	0.5
105.07065	1.3
114.97469	0.3
121.02862	0.6
133.06509	1.3
145.09160	0.3
161.06039	1.4
167.03424	0.3
168.02902	0.8
181.04956	0.5
182.05716	2.8
184.04951	0.4
185.05756	0.3
197.08081	10.4
204.03928	0.6
215.06746	1.2
219.06274	100.0
220.06583	1.9
237.07317	0.3
250.08110	0.5
251.08856	0.6
271.04263	0.4
287.41852	0.3
288.08502	0.3
307.04501	2.3
413.14133	0.4
455.15070	2.1
467.11575	1.0
478.80945	0.3
499.13571	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	499.1422
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
54.16248	0.2
55.15108	0.2
57.78238	0.2
65.01698	0.2
65.03963	0.3
68.99810	0.4
69.03413	0.3
70.06593	1.2
72.08143	0.3
84.08105	0.5
85.02884	0.5
91.05402	0.2
95.28593	0.2
97.02880	0.8
107.04971	0.3
109.02866	0.3
111.04391	0.2
121.02865	4.9
121.03767	0.4
127.03891	0.4
129.10309	0.3
133.01546	0.2
147.04408	0.2
154.84053	0.2
161.05927	0.3
163.03894	1.1
187.05788	0.5
201.05626	0.3
203.03470	0.3
204.34348	0.2
217.04962	0.2
229.04976	0.4
231.02927	0.9
243.02786	0.3
257.04468	0.5
271.06110	0.3
285.03827	1.5
297.04053	0.3
301.06775	0.3
315.04996	0.4
321.07544	0.8
327.05014	0.5
331.09747	0.3
345.05917	0.5
349.07190	0.6
351.09143	0.2
361.07266	0.3
363.06931	1.1
379.08298	0.5
463.10437	0.4
481.11646	0.9
484.11841	0.6
499.14157	100.0
500.14584	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	499.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46217	1.0
60.69314	1.0
62.58211	1.0
69.03436	1.1
70.06593	3.8
71.06895	1.2
84.08109	1.0
91.66362	1.0
110.07205	1.4
143.55574	1.1
163.03941	3.2
189.05232	9.4
204.37741	1.0
214.27821	1.1
235.06004	1.3
250.08150	7.1
251.08937	12.3
265.88504	1.1
271.04321	3.8
311.27100	1.2
413.14191	7.3
417.78598	1.2
455.15198	31.8
456.15387	2.2
499.14197	100.0
500.14816	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	499.1943
Annotation	Heteroclitin E
Peak:m/z	Relative Intensity
57.03442	3.1
67.81995	2.5
72.69024	2.4
79.05488	3.2
81.07053	6.4
85.02875	3.0
87.04501	3.9
89.06018	4.7
91.05460	3.7
95.04955	2.8
97.06525	2.7
98.97587	6.7
105.07045	4.1
107.08613	2.7
113.25801	2.3
116.98595	2.5
117.07085	2.6
119.04937	4.7
121.02863	7.5
121.06498	4.4
123.04399	3.8
123.08075	4.0
125.06039	2.8
145.10100	2.5
147.04390	16.3
149.05974	3.2
209.04057	3.0
212.11520	2.4
237.02818	4.6
337.06516	2.9
343.11697	8.3
361.12875	3.6
395.17459	5.1
413.18250	12.0
455.19418	12.1
481.18362	61.8
492.91257	2.5
499.19415	100.0
500.19760	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	499.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.7
55.57066	1.5
65.03931	2.4
67.05511	9.1
69.03068	2.0
69.03427	39.1
69.07069	2.3
69.33925	1.8
69.66452	6.4
79.05501	5.9
81.03407	18.2
81.07039	7.4
83.04979	29.4
91.05470	14.1
93.07040	6.9
95.04977	5.3
95.08607	7.0
95.09135	1.7
97.06521	2.4
105.07026	19.1
107.04942	1.9
107.08579	8.3
109.06523	6.5
111.04434	60.1
115.05440	3.3
117.07021	14.6
119.08577	14.6
121.06512	3.4
123.08022	2.5
124.03951	5.6
128.06233	3.0
129.07018	8.9
131.04893	1.8
131.08560	36.3
133.06508	4.3
133.10144	6.1
135.08060	3.6
137.05905	1.8
138.13252	1.5
141.07011	5.9
142.07765	5.6
143.08539	15.6
144.09300	3.4
145.06470	4.3
145.10138	23.7
147.08020	5.0
147.11755	1.6
149.09564	2.3
149.13269	1.7
153.07014	2.4
155.08530	11.4
156.09294	5.3
156.63060	1.6
157.10123	14.9
158.10910	4.8
159.08095	6.0
159.11674	9.4
161.09656	4.5
161.13245	3.3
163.14838	2.2
165.06996	2.4
165.09152	2.6
167.08629	2.5
168.09349	3.8
169.10106	6.1
171.11653	10.6
173.09641	4.6
173.13246	55.7
174.13562	2.0
175.11247	3.0
175.14761	2.2
177.12576	1.9
179.08589	2.8
181.10081	7.3
182.10905	2.0
183.11717	13.0
185.13312	2.9
189.12730	7.3
191.10686	4.7
191.14265	3.0
192.09219	2.0
193.10146	5.6
194.10779	2.0
195.07941	2.0
195.11696	6.6
197.09628	1.9
197.13235	4.7
199.11157	3.8
201.12714	13.3
209.09647	3.8
209.13332	2.2
219.13757	17.2
221.13205	2.4
223.11160	1.6
229.12117	2.8
232.12404	1.8
237.12750	2.2
239.14342	1.9
241.12167	2.7
247.13155	2.1
249.12862	1.9
255.17517	1.7
261.14917	1.8
265.15955	4.4
274.78351	1.7
283.16943	4.2
311.16382	6.3
323.16293	5.0
329.17560	4.1
347.18338	3.4
382.01221	2.1
389.19540	100.0
390.19974	5.7
411.17596	8.0
499.22949	62.8
500.23151	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	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
55.01859	7.9
55.05505	29.2
57.03437	30.0
57.07065	11.7
58.06596	8.8
60.08152	19.8
61.02923	52.7
61.08477	5.0
67.05499	87.6
69.03430	42.6
69.07068	37.3
71.01359	6.1
71.07373	9.8
71.08624	8.7
73.02921	25.2
79.05492	38.6
81.03400	22.3
81.07050	93.1
82.07372	6.5
83.04963	9.0
83.08626	24.8
85.02901	69.8
85.06535	4.3
86.09713	59.9
87.04460	8.7
87.10030	23.7
91.03958	34.1
91.05468	21.3
93.07039	36.3
95.04950	5.7
95.08601	67.8
97.02886	54.4
97.06532	8.9
97.10161	9.0
98.98434	4.9
99.04450	15.8
101.02351	7.2
101.43185	4.6
103.03926	8.8
104.10734	100.0
105.07027	36.2
105.11069	43.8
106.11243	9.5
107.08588	19.2
109.02860	13.2
109.10158	31.8
111.04444	6.0
115.79617	4.6
117.07009	5.8
119.08556	17.4
121.10119	17.2
123.11703	18.6
124.99988	24.7
125.09669	5.6
127.00394	10.9
127.03918	22.7
131.04903	8.1
131.08530	6.3
133.08641	6.1
133.10110	10.4
135.11693	10.9
136.66852	5.1
145.04938	11.7
145.10152	5.7
147.11691	11.0
149.13271	12.2
151.11197	5.6
159.11591	7.1
161.13217	10.3
163.14871	7.0
169.99013	4.3
183.06627	5.9
184.07333	54.6
185.07692	30.7
186.07811	45.1
187.08101	12.7
236.14891	19.2
237.15254	7.3
245.22498	6.2
263.23755	29.8
290.33878	4.2
297.93369	4.0
337.27313	87.6
365.26898	4.7
371.25742	5.6
481.32901	14.2
499.33978	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03943	0.3
57.26757	0.2
59.21884	0.2
67.05497	0.2
69.75093	0.6
75.39780	0.2
77.03532	0.3
77.03910	1.4
86.28970	0.2
95.04957	3.8
95.05535	0.3
102.04648	0.4
103.05461	50.5
104.05772	0.6
105.04510	1.5
131.04918	100.0
132.05257	1.6
195.00293	0.2
213.63182	0.2
216.06563	0.4
248.01646	0.2
282.07495	0.2
308.05411	0.5
336.05042	0.4
346.03476	0.4
383.41705	0.2
440.11121	0.6
457.23218	0.6
472.13672	0.4
500.13223	0.6
500.27155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01899	4.6
55.01865	0.9
56.05035	0.9
68.99786	2.8
69.17121	5.9
71.07363	1.9
79.05475	2.0
80.75567	0.8
81.07044	0.8
86.09704	6.3
87.00813	1.5
91.05457	4.6
92.01361	5.8
92.99754	5.9
98.22709	2.1
103.05465	19.7
103.63428	0.8
103.84924	0.9
104.01356	1.8
105.03374	1.1
107.04943	2.2
120.00820	1.8
122.02401	1.6
124.03921	1.2
124.99995	1.9
129.07034	1.0
131.04912	51.1
132.00806	1.9
132.05333	1.0
138.01892	1.5
143.04956	0.9
148.00290	11.9
150.01863	1.3
154.01326	1.5
160.00302	2.4
163.01550	1.1
166.01389	6.2
167.02104	2.7
168.02904	1.2
172.07521	1.4
175.99792	3.0
178.01340	68.5
184.07549	1.0
192.02852	1.7
194.00845	2.1
196.02361	1.7
199.54318	0.9
204.02939	1.2
220.02409	7.5
222.00331	12.7
222.05516	1.9
230.00984	1.7
231.98874	2.7
234.05493	1.1
236.07005	1.5
240.01405	10.4
240.06636	2.6
248.01859	7.1
249.99814	21.4
264.01395	3.6
264.06564	2.6
266.02881	5.4
268.00867	100.0
269.01096	2.2
270.01187	1.1
271.08408	2.8
282.07599	45.1
283.07788	1.0
292.05823	0.9
306.07663	2.5
308.05380	2.6
310.07153	2.0
310.54660	0.8
318.03857	4.2
324.08627	13.1
326.06439	9.6
332.05368	1.5
334.07086	5.7
336.04938	5.5
350.06644	16.0
352.08176	8.3
354.06046	52.6
355.06299	2.8
360.04999	1.4
368.07623	30.4
369.07886	1.4
376.08115	1.5
378.06049	77.4
379.06317	3.2
387.11023	0.9
394.09274	1.1
396.07031	4.2
414.13342	4.8
438.13528	7.0
440.11038	7.2
464.11279	2.2
482.12189	8.6
500.31393	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	500.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08744	2.6
54.45195	2.2
56.96557	2.9
60.05650	2.3
68.99769	3.8
70.06583	10.9
70.93288	3.8
71.04961	2.8
72.08146	4.3
80.05021	3.9
83.01349	3.1
84.04503	44.3
84.08143	4.4
85.02919	14.3
86.06073	15.3
91.05466	4.7
95.05001	2.7
98.97567	8.6
101.07168	4.1
102.05541	7.4
103.05457	9.2
105.06985	3.5
107.41312	2.9
108.04474	4.1
114.10297	5.6
130.05000	100.0
131.04910	33.8
136.03978	3.0
147.04301	2.7
147.07607	19.5
151.03857	4.4
165.04211	4.5
166.01309	3.6
167.02171	2.7
168.02989	3.3
169.01340	3.3
175.11893	10.0
176.03323	4.3
190.01485	3.1
193.03619	3.9
194.04428	2.6
204.02950	13.3
205.01352	4.9
206.04457	17.2
207.03099	5.3
207.05276	10.2
214.04959	2.7
219.01772	3.7
220.06273	2.5
222.03966	9.4
223.02406	6.2
224.08022	3.2
232.02328	18.4
234.03992	22.9
237.02942	2.8
237.08691	4.5
250.03467	8.8
253.05775	9.5
260.05563	3.1
262.08508	3.4
265.54318	2.6
270.03995	2.5
272.05582	3.6
272.09174	5.2
280.04456	11.8
284.08987	3.2
293.08017	7.9
295.05591	3.9
297.04782	3.6
297.09900	5.2
308.09006	3.2
309.07159	3.3
310.10983	3.0
315.06137	5.6
315.71130	3.0
325.03421	5.3
327.07452	5.2
336.08688	10.6
338.05966	5.6
338.10190	14.5
339.10971	3.5
351.08105	10.2
353.11337	10.2
354.09705	7.8
356.13620	5.9
360.08203	5.4
374.10031	4.1
378.09274	7.5
382.09299	4.7
384.10794	7.9
396.10294	17.2
399.11862	39.7
400.12610	16.0
401.13370	7.2
419.12482	19.1
437.13361	9.6
441.10651	5.2
447.11633	3.4
464.14453	13.4
465.13104	7.8
482.15482	10.8
500.16425	16.1
501.05148	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	500.1704
Annotation	Halofantrine
Peak:m/z	Relative Intensity
59.00041	1.2
68.99788	3.4
69.42651	7.1
90.87231	1.3
103.05456	26.8
103.27004	1.3
105.03394	2.5
115.05422	6.6
124.03920	1.6
129.07033	1.8
131.04913	100.0
132.05307	1.8
141.06969	1.5
142.06496	3.5
153.07019	5.0
155.04861	2.3
156.08188	1.8
161.14948	1.3
163.72069	1.4
170.05997	1.9
180.08118	4.9
184.36703	1.5
186.09120	3.4
198.09120	1.9
199.03824	6.7
208.02336	3.2
208.07616	4.9
212.07022	10.7
213.05449	2.3
218.00812	1.8
220.85397	1.4
228.10246	5.4
236.07091	2.0
238.04948	2.3
241.04922	9.8
244.50279	1.4
250.03624	1.8
252.06561	1.8
254.08165	5.7
259.05914	3.2
272.09149	51.3
272.12100	2.9
280.06055	11.6
296.09164	6.9
298.06943	1.7
322.06992	7.2
354.09756	6.5
364.08121	28.8
384.12164	19.5
408.12457	1.7
426.13248	13.1
458.16058	11.3
468.14386	54.9
469.14581	2.6
500.16580	4.0
505.88287	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.8
56.16481	1.4
65.03946	3.5
67.05508	2.4
69.03428	5.0
69.43491	8.7
70.06588	13.2
72.08148	3.1
81.03411	9.2
83.04980	15.6
85.02897	12.6
91.05486	5.6
93.03419	2.6
95.04963	3.1
97.02879	4.7
97.07626	2.4
97.28099	1.7
98.09696	3.5
103.97597	1.7
105.47818	1.6
108.02102	1.9
109.02879	3.9
111.04431	11.5
111.95058	1.6
112.08708	2.0
114.10288	7.4
119.04958	3.5
125.06023	4.0
127.03913	3.2
129.91603	1.7
131.04941	4.4
136.05331	1.5
149.28444	1.5
151.03897	100.0
151.04968	7.5
151.07487	11.6
163.03897	3.6
165.72011	1.6
167.62399	1.5
169.04958	12.7
171.06538	23.4
173.53770	1.5
175.11929	3.4
177.01826	2.0
181.04980	4.9
205.01265	1.7
215.67186	1.6
219.08182	2.4
228.06447	2.2
263.07101	3.2
280.39420	1.8
291.06506	2.2
295.08151	6.8
308.09024	1.7
313.09158	6.2
333.11148	1.9
361.02249	3.3
387.12247	1.7
482.20346	2.4
500.13654	3.2
500.21292	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	500.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
56.05029	2.9
57.03429	0.7
59.05008	1.2
68.05031	1.5
68.99780	1.3
69.03426	3.3
69.48112	2.7
70.06599	4.9
72.04513	2.5
80.05017	1.1
81.03412	1.8
82.06570	0.8
83.76850	0.9
84.04486	2.5
85.02879	1.2
86.06070	0.7
91.05488	1.9
94.06532	1.5
95.04959	0.9
96.04480	2.3
97.02888	2.1
98.06076	2.3
103.05470	5.4
105.03431	1.3
105.07066	1.1
106.06542	0.9
110.06013	0.8
114.05554	1.1
116.07069	1.2
118.06549	0.8
120.04477	1.7
120.08092	2.1
124.07636	1.5
126.05515	1.2
131.04930	18.1
132.05232	1.0
134.05962	0.8
136.07588	7.5
138.05415	0.9
144.06569	5.7
146.08138	1.3
148.07588	1.7
148.29169	0.7
163.03893	1.2
165.01851	6.0
166.08617	2.9
175.03947	1.3
176.06987	1.0
177.01744	1.0
177.05611	1.5
183.02910	1.7
184.09698	1.7
185.00723	1.1
187.03908	1.8
189.01788	5.0
190.99788	2.8
191.03424	1.8
199.03882	1.6
202.05084	1.2
203.03406	3.7
203.05641	1.5
204.06621	2.5
205.04979	17.4
207.02946	3.1
209.00836	3.5
213.60249	0.8
215.03377	3.0
217.04951	4.9
221.04530	1.0
222.07634	1.6
228.06548	1.3
230.04483	19.1
231.02911	1.8
231.05280	4.3
232.06050	21.5
233.04480	3.0
233.06329	1.5
234.07658	0.9
241.04939	1.4
244.05997	2.0
246.07597	2.4
248.05487	8.1
250.07062	2.8
251.05522	1.4
256.05972	1.4
258.07632	2.7
269.08130	2.7
270.07660	1.2
271.06021	1.1
272.09277	0.9
274.07089	1.7
282.07742	1.8
286.07135	1.0
288.08566	0.9
293.04416	1.7
293.08115	4.2
294.04312	1.7
295.05908	2.1
300.08658	1.6
302.06787	0.9
307.09711	3.2
309.11172	2.4
316.08127	1.3
319.09802	1.5
326.13931	2.0
328.08160	1.1
334.10727	12.3
335.11752	5.6
336.12354	6.4
338.13654	1.0
346.09134	2.1
352.11795	1.3
360.12256	2.9
362.14066	1.2
364.10397	1.7
378.13303	2.4
390.13489	1.6
402.13580	1.1
404.14862	1.2
406.13080	1.5
420.14398	8.5
432.14343	2.9
440.11810	1.3
450.15497	20.1
468.16531	100.0
469.17087	3.9
482.18112	7.5
500.19046	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	500.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.5
51.02377	0.7
53.03954	0.3
55.01876	0.2
57.03437	0.8
61.02937	0.9
65.03938	0.5
68.99777	0.2
69.03429	2.6
70.42863	0.3
71.01356	0.1
71.04997	0.4
71.41867	0.1
73.02921	0.6
77.10878	0.1
78.03455	2.2
81.03411	0.8
85.02906	7.0
86.03258	0.1
87.04475	0.4
88.61821	0.1
91.03963	0.3
91.05487	0.3
91.79086	0.1
93.07016	0.3
95.04967	0.4
96.04492	100.0
97.02898	1.4
97.04830	1.1
98.22738	0.1
99.04439	0.6
101.02402	0.2
103.03937	0.3
103.05477	0.5
105.07029	0.4
107.04955	0.3
109.02879	1.7
111.04404	0.4
115.03932	0.2
115.05476	0.4
117.07035	1.6
119.04934	0.5
121.03962	0.2
121.06441	0.2
127.03911	1.7
128.06259	0.4
129.07033	0.3
131.04930	0.9
133.06499	0.3
133.19412	0.1
134.07254	0.4
135.08092	0.5
136.07564	1.4
138.01819	0.1
143.04947	0.1
145.04970	1.0
145.06470	1.2
149.06004	0.6
155.04900	0.1
155.06052	0.4
157.06517	0.5
173.05986	3.7
174.06308	0.2
186.06810	0.2
187.14195	0.1
201.05467	4.5
201.07283	0.3
202.05974	0.1
217.92632	0.1
218.61078	0.2
243.10269	1.0
338.13858	0.1
402.13651	0.1
450.15500	0.2
468.16574	0.4
500.12115	0.2
500.19202	4.2
501.19473	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	500.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32296	0.5
51.02369	0.6
52.77494	0.4
53.03931	0.6
55.05505	3.9
57.03421	0.7
57.07071	1.5
65.03938	0.6
67.05498	8.0
69.03427	81.1
69.07059	1.4
70.03717	0.6
70.66030	0.7
70.66354	0.5
71.04981	0.6
78.03455	4.0
79.05490	2.8
80.05032	2.8
81.07052	4.2
83.04980	7.5
83.05445	0.9
83.08625	0.5
85.06561	1.0
91.05472	3.5
93.07045	3.6
95.04958	1.1
95.08602	4.9
96.04495	3.0
97.06519	2.5
103.05450	0.8
105.07026	5.0
106.02919	6.1
107.07955	0.6
107.08554	2.9
109.10168	1.1
111.08064	0.6
112.03967	1.4
113.06004	58.2
115.07556	1.3
117.07014	2.1
119.08581	5.6
121.10133	2.0
122.94044	0.5
123.08024	0.8
124.03948	100.0
125.04327	1.0
128.06247	1.2
129.07001	2.1
131.04941	0.8
131.08554	4.0
133.10135	4.1
135.08054	0.8
135.11699	1.1
141.06970	1.6
142.07751	1.6
143.08560	4.8
144.09274	0.6
145.10121	6.3
147.07996	1.2
147.11693	2.8
153.07037	0.5
155.08553	2.9
156.09329	2.2
157.10112	6.5
158.10799	0.7
159.11690	5.8
161.09573	0.8
161.13228	0.5
163.11180	0.6
165.06854	0.5
167.08554	1.7
168.09282	1.0
169.10110	4.5
170.10857	2.0
171.11699	5.3
172.12343	0.6
173.09587	1.1
173.13216	2.8
175.11191	0.9
175.14825	0.5
179.08484	1.1
180.09308	0.5
181.10127	3.3
182.10873	2.0
183.11687	4.0
185.13231	4.6
187.11172	1.1
187.14819	3.4
189.12691	0.6
193.10089	1.3
194.10844	0.9
195.11691	2.8
196.12497	2.2
197.13232	3.0
198.14029	0.7
199.11119	0.7
199.14854	1.8
201.12697	1.3
201.16383	1.9
203.14273	2.0
205.10191	0.8
205.15826	2.2
206.10818	0.7
207.11690	1.4
209.13298	2.9
210.14087	0.6
211.11171	0.5
211.14801	7.3
213.12793	0.6
213.16400	5.9
215.14275	1.0
217.12204	1.1
219.11774	1.0
220.12419	0.5
221.13239	1.3
223.14795	0.8
225.12804	1.0
225.16356	1.2
227.14305	1.1
227.17715	0.6
229.15865	4.0
233.13229	0.8
235.14819	1.2
237.16301	2.0
238.17043	0.6
239.14333	0.9
253.15855	0.9
253.19521	3.0
255.17484	1.0
257.15561	0.5
263.17908	1.3
271.20633	2.2
281.18970	5.3
299.20038	6.3
317.21024	1.6
328.19052	4.7
419.80377	0.5
422.23004	0.6
440.24167	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	500.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03924	0.3
55.01862	0.2
55.05508	1.6
56.31891	0.2
57.03438	0.9
57.07076	0.3
57.47630	0.2
59.04999	11.5
64.28756	0.2
65.03939	0.5
67.05505	3.3
68.12304	0.2
69.03410	0.3
69.07065	1.3
71.04981	0.3
78.03452	2.9
79.04232	0.3
79.05491	3.1
80.05014	3.3
81.03411	0.3
81.07053	4.1
83.04981	1.2
83.08616	0.5
85.02882	0.3
91.05477	4.6
93.07043	3.7
95.04964	1.4
95.08612	3.0
96.04489	3.4
97.02858	0.2
97.06520	1.6
99.08092	0.8
103.05476	0.7
105.04540	0.3
105.07028	5.1
106.02910	7.5
107.04961	1.2
107.08576	3.2
107.09256	0.3
108.04472	0.8
109.06524	0.6
109.10151	1.9
111.04423	0.3
111.08061	0.3
115.05436	1.0
116.06252	0.3
117.07008	3.6
117.09126	3.8
119.04932	0.4
119.08575	3.1
121.06528	1.2
121.10107	1.0
123.08110	0.5
123.11699	0.5
124.03947	100.0
125.04269	1.0
125.09621	0.3
127.11098	0.2
128.06213	0.9
129.06993	1.8
130.07748	0.5
131.04927	0.7
131.08566	3.8
133.06508	1.2
133.10138	1.8
135.08076	0.8
135.11673	1.3
137.09628	0.2
138.05516	0.7
141.06960	1.4
142.07767	1.3
143.08556	3.3
144.09332	0.2
145.06477	1.6
145.10118	6.2
146.07077	0.2
147.04405	0.3
147.08032	0.4
147.11674	0.8
149.05984	0.7
149.09613	0.4
149.13309	0.3
153.06979	0.4
153.49727	0.2
154.07828	0.3
155.08539	3.1
156.09335	1.8
157.10136	3.6
158.10907	0.2
159.08043	0.4
159.11688	2.5
161.09647	0.6
161.13255	0.5
163.07547	0.5
163.11176	0.4
164.03435	1.3
165.06947	0.3
167.08542	0.5
168.09349	0.6
169.10150	2.3
170.10876	0.4
171.11690	3.1
173.09610	0.6
173.13216	1.2
175.11192	0.3
175.13324	1.8
177.09149	0.3
179.08508	0.4
180.09363	0.3
181.10083	1.0
182.10962	0.6
183.07977	0.2
183.11713	2.8
185.09613	0.5
185.13194	1.0
187.11227	0.6
187.14856	0.3
189.12723	0.5
193.10176	0.5
195.11720	0.9
196.12431	0.3
197.13232	1.4
199.11218	0.5
199.14825	0.4
201.12708	0.5
203.14236	0.2
206.08107	0.4
207.11713	0.4
209.13271	0.5
210.13997	0.2
211.14792	0.9
213.12773	0.5
221.13292	0.3
222.11211	0.4
225.16399	0.4
229.15811	0.2
233.17438	0.3
237.16331	0.3
243.17345	0.2
248.12828	0.5
250.14505	0.2
251.17705	0.2
253.19571	0.6
261.18591	0.5
263.18069	0.4
276.15906	0.3
281.19052	0.4
289.21780	0.3
299.19998	0.6
317.21323	0.4
358.20285	0.2
366.20505	0.3
378.16849	0.2
384.21707	0.7
392.22195	0.9
394.23813	3.2
404.22388	0.7
410.23297	1.1
412.24844	2.5
422.23196	2.7
428.24249	0.2
440.24313	10.1
441.24677	0.2
454.25928	0.2
458.25394	1.7
482.19153	0.4
482.25183	0.4
483.37134	0.2
500.26385	13.9
501.15228	0.9
501.26950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38053	0.5
55.05513	3.5
55.18978	0.5
57.07073	1.0
65.03933	1.7
67.05497	8.4
67.05820	0.8
69.03425	78.7
69.07063	1.9
69.36182	2.9
70.03722	0.9
71.93040	0.6
77.52259	0.6
78.03449	3.0
79.05470	3.0
80.05003	2.7
81.03416	0.6
81.07056	3.9
83.04979	6.8
85.06522	0.7
89.06017	0.7
91.05473	3.4
92.05005	1.0
93.07046	3.8
95.04960	1.9
95.08599	5.0
96.04483	2.5
97.02883	8.2
97.06532	2.1
105.07016	3.8
106.02921	5.8
107.08559	3.6
109.10143	1.4
111.08036	1.2
113.05998	58.9
114.06327	0.9
115.07555	1.0
117.06994	1.9
119.08553	5.3
120.04459	22.8
121.02876	1.3
121.06483	1.4
121.10123	1.7
123.08000	0.8
124.03946	100.0
125.04294	1.1
128.06230	0.7
129.07001	1.3
130.07803	0.8
131.08572	3.8
133.10118	3.4
135.11688	1.5
141.06955	0.9
142.07758	2.1
143.08527	4.2
145.10110	5.9
147.11679	2.3
153.06935	0.7
154.07657	0.8
155.08516	2.7
156.09285	1.7
157.10120	7.0
159.11703	4.9
161.13274	0.7
167.08537	1.9
168.09341	1.1
169.10149	3.6
170.10884	1.6
171.11679	5.3
173.09570	0.7
173.13234	3.5
175.14899	0.7
179.08481	0.6
181.10085	2.3
182.10854	1.2
183.11699	5.1
185.09622	0.7
185.13281	4.8
187.11151	1.4
187.14876	3.4
192.09302	0.8
193.10139	1.4
193.12039	0.9
194.10852	0.7
195.11700	2.9
196.12431	1.8
197.13217	2.9
199.11221	0.8
199.14772	2.0
201.12706	2.0
201.16336	1.6
203.14313	2.0
205.15837	3.0
207.11667	1.3
209.13232	2.4
210.13863	1.1
211.14774	6.5
213.12651	0.7
213.16348	5.2
217.12199	1.0
219.11591	1.3
220.12518	0.7
221.13216	1.2
223.14761	0.6
225.12752	1.2
225.16324	1.6
227.14326	0.9
229.15903	3.3
235.14703	1.6
237.16302	2.6
239.14139	1.3
245.41963	0.6
253.15723	1.1
253.19452	2.7
255.17426	1.7
263.17908	2.6
269.18954	1.0
271.20468	2.4
281.18973	6.4
299.20044	8.1
317.20844	1.6
328.19003	5.5
360.04727	1.2
422.22955	0.7
440.24011	1.7
470.79910	0.7
472.19885	0.6
500.26666	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
57.03427	7.6
57.75655	4.7
65.03896	4.8
67.05501	18.5
69.03407	5.7
69.39912	10.7
69.40300	9.9
70.06591	56.6
71.04935	5.1
72.08147	42.9
79.05467	9.5
81.03409	100.0
81.07047	16.4
83.04948	5.1
83.08614	25.7
84.04522	8.4
84.08131	20.1
85.02921	7.8
86.09690	28.6
91.05473	18.6
93.07030	7.2
95.04951	34.5
95.08594	5.6
97.02856	6.5
98.09678	5.0
105.07040	11.6
107.04902	5.7
111.04396	5.1
111.08080	16.3
112.11236	6.6
119.04923	6.7
119.08573	10.1
121.02873	42.5
121.10116	7.0
122.64236	4.3
131.08557	10.7
136.07631	5.2
137.05992	7.7
146.16519	8.8
147.11603	11.6
156.10196	15.3
157.10123	19.4
175.11189	15.3
193.12225	95.4
203.10313	5.4
227.17540	8.2
255.06802	5.0
259.13000	6.4
267.15845	56.2
285.16953	91.9
309.16852	9.4
317.27600	5.0
325.03177	26.6
337.10754	6.2
411.20151	5.2
429.20258	10.1
482.18878	9.1
482.25781	6.4
483.24536	16.5
500.16968	13.6
500.28067	46.3
500.34988	9.3
501.10217	8.6
517.20422	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	500.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71642	1.5
53.03939	1.7
54.59876	1.8
55.05495	3.1
57.07071	2.6
67.05502	3.6
69.03420	7.6
69.07048	2.3
71.19417	2.2
79.05485	5.4
81.03414	100.0
81.07050	5.9
83.04981	2.7
91.05477	3.5
93.07053	4.3
95.04967	4.3
95.08595	5.7
97.02896	6.3
98.82739	2.0
101.02335	3.4
102.14568	1.6
105.07034	12.8
107.08578	6.8
109.06516	2.1
110.54864	1.7
111.04448	1.8
113.06041	2.9
115.03927	3.2
115.89525	1.9
117.07031	3.6
119.08593	11.2
121.10121	3.1
123.08054	2.4
124.03944	7.4
129.06967	2.8
131.08562	4.4
133.10130	8.6
135.08055	2.5
138.36220	1.9
141.05450	43.2
141.07034	2.9
142.07767	5.8
143.08527	9.1
144.09340	1.9
145.06500	2.3
145.10143	12.7
147.11650	2.9
152.76814	2.0
155.08572	5.6
156.09334	7.9
157.10149	15.1
159.08073	3.6
159.11691	8.1
161.09604	2.1
167.07135	1.7
169.10097	14.2
170.10924	9.6
171.11682	13.7
173.13284	11.2
175.11272	2.2
177.09047	3.1
181.08598	3.4
181.10123	6.5
182.10898	3.3
183.11655	15.1
184.12419	2.7
185.13220	13.0
187.14793	12.5
193.10149	5.8
195.11635	6.6
196.12469	6.0
197.09575	3.8
197.13220	10.6
199.14888	9.0
201.16394	4.5
207.11682	10.1
209.13248	10.3
210.13861	3.9
211.11218	3.7
211.14816	25.8
213.12834	2.1
213.16342	16.4
219.11575	4.1
220.12474	8.1
221.13177	7.6
223.14885	4.8
223.87379	2.1
224.11974	2.6
225.12743	4.4
225.16422	12.4
229.15891	2.8
234.14041	5.7
235.14767	20.6
237.16466	4.6
243.17387	3.0
249.16406	22.9
253.15834	9.2
267.14511	2.0
267.17365	10.2
277.15842	4.9
285.18478	2.5
295.16855	14.3
297.18555	5.7
299.20032	3.3
309.18512	12.0
313.17896	8.7
321.97223	1.8
327.19519	24.2
329.02127	2.1
345.20557	64.4
346.20856	5.5
373.20313	4.7
501.18753	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	500.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05205	0.5
57.07075	3.9
61.55214	0.5
69.07050	0.9
70.06586	1.2
70.55505	0.9
71.08618	5.0
71.54505	0.5
77.79426	0.7
81.07050	0.6
83.78125	0.5
85.10171	2.2
86.65174	0.5
87.04465	100.0
88.04836	1.1
89.06049	0.7
91.05486	1.0
93.07042	0.8
95.08572	0.6
105.07061	0.9
121.06502	1.9
147.08043	1.0
165.09196	0.6
168.71130	0.5
171.50078	0.5
200.20073	0.6
209.11795	0.7
219.12308	0.8
244.22701	4.0
247.20580	1.5
283.26218	5.8
291.23129	1.4
357.19257	0.9
431.44186	0.6
458.87839	0.5
500.36014	2.5
500.46710	15.8
501.37219	0.5
501.46625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05502	3.0
57.03436	7.6
57.07048	1.2
58.06597	29.2
59.07376	8.8
60.08162	9.3
67.05469	1.8
69.07067	2.7
69.49609	1.5
71.08591	0.4
73.02872	0.9
75.04478	3.3
79.05486	0.7
81.07043	2.1
83.08594	1.8
85.02912	2.7
87.04460	4.8
93.07021	0.9
95.08586	1.7
97.10150	0.9
98.22718	0.9
103.03925	0.6
104.40966	0.4
105.05478	1.0
107.08530	0.6
109.10101	0.7
118.53576	0.4
121.10098	1.1
126.07656	0.4
131.04871	0.5
131.07013	1.5
144.10202	7.9
145.27254	0.5
162.11252	4.4
187.49153	0.4
203.56409	0.4
218.13870	0.7
222.22745	0.4
236.14906	100.0
237.15221	1.1
237.39442	0.5
482.38397	24.5
483.38507	0.7
500.39413	72.9
501.39746	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	501.1371
Annotation	Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate
Peak:m/z	Relative Intensity
51.30940	2.8
66.14330	3.0
70.21307	6.5
94.54522	3.2
98.23338	4.2
100.50241	3.1
110.67885	3.0
120.96662	8.1
136.94035	9.0
158.87488	2.7
158.92188	3.6
164.93103	4.2
167.95956	2.7
180.90410	3.4
191.04031	6.8
207.01453	6.6
222.98854	4.6
235.05724	5.1
256.98209	3.0
274.83356	3.4
355.00693	3.3
365.10489	8.2
366.81293	3.3
403.06119	3.9
419.03503	5.4
501.13660	100.0
502.14252	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	501.1579
Annotation	KN-93
Peak:m/z	Relative Intensity
52.72410	0.2
70.06580	0.9
71.42937	0.2
72.08160	1.0
84.04518	0.3
84.08128	0.8
86.09702	1.8
129.10225	0.6
130.05043	0.2
145.07620	1.7
147.07690	0.4
177.05501	0.4
200.12320	0.3
217.06378	0.3
260.15952	0.3
486.13239	0.4
501.15735	100.0
502.16098	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	501.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90982	2.0
51.77408	2.2
56.96570	11.9
65.03932	1.9
67.05496	3.1
69.03420	7.5
69.07095	2.0
69.49258	4.4
69.49664	5.5
72.68371	2.0
78.26720	2.3
81.03400	3.1
83.04974	2.4
85.02885	4.8
87.00810	3.4
87.04461	6.8
89.06024	3.5
91.05461	4.3
95.08573	3.1
97.02888	72.3
98.23517	2.7
98.97572	5.4
109.02840	3.2
111.04461	5.6
111.87294	2.0
112.99132	4.7
119.04913	2.3
121.02860	65.8
121.03777	3.4
127.03895	3.1
129.05458	3.4
131.00168	5.4
137.61882	2.0
147.04341	2.2
155.15518	1.8
158.99719	4.0
173.01213	6.8
175.03928	2.3
177.00687	2.3
191.02261	2.2
207.06503	4.5
217.04979	2.7
235.10060	5.3
241.11128	2.7
253.11098	50.2
259.12244	3.1
271.12164	27.1
292.44077	2.2
292.58026	2.3
295.12173	2.8
313.13257	2.8
337.13263	3.0
415.16400	12.5
457.11246	4.4
457.17395	63.8
501.17194	100.0
502.17834	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	501.2249
Annotation	Kopsidine B
Peak:m/z	Relative Intensity
52.95395	0.5
57.07059	0.5
67.05486	0.7
69.27113	1.5
69.27502	1.2
88.07614	0.6
89.06010	1.8
94.89298	0.6
102.09164	0.8
104.46645	0.5
105.07008	4.2
147.08041	1.0
149.09628	0.6
228.23169	2.8
256.26398	3.7
267.79041	0.6
325.03241	0.8
501.22473	100.0
502.22885	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	501.3313
Annotation	FR 252921
Peak:m/z	Relative Intensity
56.00671	0.5
65.90195	0.6
67.05485	0.6
69.07071	0.6
69.36183	2.1
71.08625	0.6
81.07081	0.6
87.04490	1.3
89.06046	1.8
91.05470	0.9
95.08578	0.6
121.06489	1.1
122.78444	0.5
125.09632	0.6
133.08563	0.6
145.10181	0.8
153.11732	0.6
291.23242	0.7
359.20801	0.7
501.33127	100.0
502.33350	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	502.182
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99778	0.9
70.06624	0.9
71.33100	0.6
71.40693	0.9
72.27079	0.6
78.47938	0.8
81.03422	1.7
84.04532	0.8
95.04984	1.2
103.05458	2.7
105.03356	0.9
105.35338	0.8
109.02843	3.9
111.04432	1.2
121.02856	1.0
123.04439	3.6
130.04977	1.7
131.04926	8.3
133.02832	1.0
137.05946	0.8
151.03899	2.9
161.02319	2.3
165.01852	3.8
179.03380	13.0
183.02910	2.2
189.01883	2.0
207.02884	100.0
208.03169	2.1
211.02309	1.8
225.03961	5.2
234.03998	0.8
235.02365	48.7
236.02710	1.1
252.05020	19.7
253.03334	4.7
257.62851	0.7
269.08054	3.5
309.03705	0.8
311.09143	16.3
327.04724	1.4
337.63290	0.8
339.04495	0.8
339.08597	16.1
356.11282	67.5
357.11484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79924	0.7
54.85652	0.7
69.03418	0.9
69.48698	2.9
70.06580	2.3
81.03423	1.9
84.04489	1.0
84.08138	1.6
85.02898	1.2
91.05479	1.1
95.04972	1.4
97.02902	1.0
100.07606	4.8
102.86463	0.7
103.05489	1.6
105.03359	1.8
105.07036	0.9
109.02862	3.8
111.04433	1.2
121.02842	0.9
123.04412	4.4
126.09148	0.7
127.03934	0.7
130.04974	1.9
131.04916	8.0
133.02817	1.3
137.02313	1.0
137.05943	2.0
151.03864	2.5
161.02365	1.9
165.01790	3.1
171.94620	0.7
179.01904	1.3
179.03380	12.7
180.10677	0.7
183.02834	0.8
187.07564	1.1
189.01935	1.0
193.01338	1.0
196.17021	1.0
206.04485	2.7
207.02869	100.0
208.03185	2.0
211.02446	3.5
223.02527	0.7
225.03876	7.1
231.06419	1.0
234.03954	1.1
235.02345	48.4
236.02695	1.2
252.05025	19.6
252.07652	1.1
253.03352	6.2
269.08032	2.8
270.08560	0.9
307.19116	0.7
311.09061	15.6
326.03363	2.3
327.04770	1.3
338.10245	1.3
339.08524	14.2
356.11230	62.5
357.11334	3.2
448.24182	1.9
466.25394	2.7
484.26749	1.5
502.27570	0.9
502.34229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57870	0.3
52.85065	0.3
53.03933	0.6
55.05493	1.3
55.30362	0.3
55.78518	0.3
57.03436	0.4
57.07063	0.5
58.57907	0.4
67.05504	1.6
69.07056	1.4
71.04982	0.4
71.42516	0.3
78.03441	1.7
79.05481	1.2
80.05009	5.2
81.07041	2.5
83.04983	1.2
83.08603	0.4
85.02877	0.4
85.06522	0.5
89.06012	0.4
91.05453	2.2
93.07047	2.9
95.04939	0.8
95.08615	2.9
96.04485	3.8
97.02835	0.4
97.06503	0.6
99.00816	0.4
105.04529	0.4
105.07021	4.0
106.02904	2.5
107.08570	2.3
109.06514	0.5
109.10169	1.0
111.04440	6.5
115.05458	0.4
115.07558	0.4
117.07026	1.0
119.04938	0.4
119.08575	3.8
121.02859	1.4
121.06479	0.5
121.10119	1.6
123.08068	0.5
124.03936	100.0
125.02351	0.7
125.04269	0.9
127.03935	0.7
128.06219	0.6
129.07016	0.9
131.08586	3.1
133.10112	3.0
135.08061	0.7
135.11658	0.6
139.03880	15.8
141.06947	0.6
142.07770	1.1
143.08578	2.1
145.10109	4.3
147.08072	0.4
147.11678	1.3
149.09581	0.4
152.65981	0.3
153.05435	0.5
155.08537	1.1
156.09326	1.0
157.10124	3.7
158.10846	0.7
159.08063	0.5
159.11659	3.0
161.09592	0.9
161.13307	0.5
165.07091	0.3
166.80287	0.3
167.08577	0.7
169.10114	1.5
170.10933	0.9
171.11652	3.0
173.09631	0.6
173.13249	4.5
175.11267	0.7
175.14801	1.1
179.08530	0.6
181.10114	1.1
182.10866	0.5
183.11694	1.1
185.09549	0.7
185.13240	3.3
187.14816	4.7
189.12613	0.4
189.16391	0.5
193.10144	0.6
195.11684	0.9
196.12503	1.0
197.09612	0.5
197.13245	1.5
198.14090	0.6
199.11156	0.9
199.14725	1.5
201.12621	0.5
201.16380	1.4
203.14272	1.8
205.15804	0.9
207.11702	0.5
208.12434	0.5
209.13319	0.9
211.11264	0.6
211.14771	3.0
213.12929	0.4
213.16339	6.7
215.14362	0.8
219.11662	1.4
221.13248	0.8
222.13992	0.6
223.11127	0.4
223.14778	1.0
225.16364	0.4
227.10709	0.6
227.14346	0.4
229.15874	1.3
232.12285	0.3
235.14877	0.8
237.16377	1.5
239.14221	0.5
241.15919	0.7
247.06017	1.2
247.14812	0.9
251.14366	0.8
253.15921	0.6
254.16635	0.8
255.17314	1.8
265.15811	1.9
275.14420	0.6
283.16800	1.7
286.04520	0.9
293.15320	1.6
294.18729	0.4
296.47739	0.4
297.18436	0.6
301.17932	1.1
301.21292	0.7
307.17023	1.6
311.16354	0.9
325.17972	2.4
326.18219	0.4
343.19037	1.8
347.18506	0.6
361.20090	5.9
362.20453	0.5
379.20987	0.4
406.10309	0.6
440.18448	0.9
474.18707	0.5
484.19604	0.6
502.15460	0.6
502.24426	1.1
503.16837	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	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.9
55.01867	4.5
55.05503	14.8
59.04986	9.8
60.67532	4.0
61.02917	4.6
67.05503	28.4
69.03431	32.3
69.07055	15.8
70.80752	4.8
71.05003	5.5
73.02887	9.8
73.06525	4.9
78.89736	4.2
79.05482	45.3
80.05540	3.8
81.03419	27.0
81.07055	59.8
81.07515	6.8
83.04999	8.7
85.02905	61.8
87.00819	25.1
87.04465	26.8
89.06017	16.5
89.51015	4.6
91.05468	47.1
93.07044	58.2
95.04974	13.2
95.08607	64.8
97.02876	19.4
97.06523	4.3
99.04462	12.2
105.01833	20.3
105.04575	4.8
105.07029	100.0
107.04922	4.2
107.08598	65.0
109.02862	22.6
109.06493	4.7
109.10140	29.0
115.05463	6.1
117.04835	4.2
117.07008	39.5
119.08562	49.0
120.08863	4.4
121.02875	6.0
121.10144	25.9
123.11629	7.7
125.09541	4.9
127.01517	10.7
127.03899	45.2
129.06979	8.2
130.07785	11.8
131.08553	54.8
133.08556	7.9
133.10124	27.1
135.11673	9.2
138.05501	4.7
139.11247	4.0
143.08514	5.0
144.09373	5.6
145.04962	10.3
145.10121	87.3
147.11758	18.5
149.13185	4.7
153.03075	4.3
157.10104	8.6
159.02916	14.9
159.11682	59.9
161.13232	8.9
173.13243	14.2
186.02486	4.1
199.14746	5.5
201.16370	67.5
202.16820	5.1
219.17459	14.7
225.36661	5.0
231.05022	7.3
473.58893	4.9
502.21381	6.8
503.16446	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	502.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84227	0.7
55.05499	0.8
58.06599	5.1
60.54763	0.7
63.61432	0.6
67.05518	0.7
69.55502	2.5
70.06599	3.6
72.04515	7.3
72.08151	8.2
79.05485	1.6
79.37989	0.7
82.71339	0.7
84.08144	14.1
85.02895	0.8
88.07623	0.8
91.05479	0.8
96.04493	1.0
98.06084	0.6
98.09684	1.0
100.07616	100.0
101.07962	1.7
107.79684	0.7
108.04469	1.6
110.06033	0.8
110.09680	3.0
112.03919	0.7
112.11237	13.7
113.06010	3.0
124.03939	4.1
125.05988	6.1
126.09147	1.4
129.13885	4.0
131.04950	0.9
134.37944	0.8
139.07605	0.8
149.06087	0.9
155.07018	2.9
155.11790	2.0
160.59341	0.7
166.08659	2.5
167.07050	9.6
171.14914	7.6
178.08646	3.4
188.07220	0.7
196.16983	3.9
220.09624	0.7
223.10812	1.5
232.09807	0.9
236.09227	4.5
242.08151	0.7
244.09717	0.8
257.18466	1.3
260.09204	1.3
274.10974	0.9
278.10248	3.5
290.13828	4.2
294.18066	1.7
302.10220	0.9
302.13693	1.1
312.72708	0.7
314.13956	2.5
326.24457	2.3
332.14914	17.4
342.13693	0.8
359.15878	1.7
365.40421	0.7
377.17166	2.3
388.22510	1.0
389.20828	1.4
406.22977	1.4
412.22305	1.8
413.20566	1.4
418.23248	0.9
430.23477	9.1
431.21814	7.7
436.24454	2.0
448.24426	73.8
449.24518	3.2
466.25504	52.1
467.25897	2.1
484.26517	25.3
485.27219	1.8
502.16632	1.4
502.27710	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	502.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.05500	1.2
56.05027	1.1
57.03436	2.0
58.06595	2.2
60.05634	1.1
65.39610	1.0
67.05553	1.0
68.06670	1.0
69.03419	2.6
70.06591	11.5
70.76264	1.8
71.01344	1.0
72.04511	6.0
72.08154	11.9
73.02956	1.1
77.95795	0.9
79.05503	1.8
81.03428	1.5
81.07079	0.9
84.08139	19.0
85.02901	1.7
86.06065	1.1
86.09715	1.1
88.07651	1.0
91.05473	1.8
95.04989	1.3
96.04498	1.4
98.06010	1.6
98.09698	4.1
100.07616	100.0
101.07919	1.8
105.07044	0.9
107.04976	1.4
108.04481	1.3
110.09677	6.5
112.11253	12.7
113.07114	4.5
121.02893	1.2
122.02357	1.4
122.06095	1.2
123.08125	1.2
124.07625	1.7
125.08368	2.4
126.09187	2.7
127.03947	1.7
129.13831	5.0
131.04865	1.3
134.06013	1.1
136.07562	1.4
137.05994	1.9
139.07631	1.7
140.03453	4.0
148.03946	1.1
150.05507	1.2
150.09146	1.1
151.03903	1.2
153.10204	1.4
155.11826	8.7
162.09126	1.2
163.03925	0.9
163.40770	0.9
166.08690	1.9
171.14919	9.3
175.11938	4.4
176.07083	1.5
178.04955	1.5
178.08708	2.5
187.14409	1.3
190.08702	1.8
194.04469	1.8
194.08286	1.8
194.15440	4.3
196.17134	2.3
199.02174	1.3
204.47479	1.1
206.04454	1.1
206.08136	2.7
208.09821	0.9
216.10268	1.7
224.76740	1.1
232.09729	1.6
260.09283	3.3
260.13052	1.1
292.16681	1.0
308.23502	1.3
323.16006	1.3
326.10535	0.9
326.24335	11.2
327.04782	9.4
332.15396	1.1
332.19678	6.4
347.22028	2.2
348.19046	2.3
370.95004	1.2
394.23355	4.0
395.18195	2.8
406.23434	2.4
430.23291	2.3
431.21518	1.8
448.24380	24.2
449.24496	1.8
466.25500	66.7
467.25610	3.2
484.26563	74.7
485.26895	3.7
502.16089	53.9
502.27356	19.8
503.07849	2.9
503.16403	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	502.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84227	0.7
55.05499	0.8
58.06599	5.1
60.54763	0.7
63.61432	0.6
67.05518	0.7
69.55502	2.5
70.06599	3.6
72.04515	7.3
72.08151	8.2
79.05485	1.6
79.37989	0.7
82.71339	0.7
84.08144	14.1
85.02895	0.8
88.07623	0.8
91.05479	0.8
96.04493	1.0
98.06084	0.6
98.09684	1.0
100.07616	100.0
101.07962	1.7
107.79684	0.7
108.04469	1.6
110.06033	0.8
110.09680	3.0
112.03919	0.7
112.11237	13.7
113.06010	3.0
124.03939	4.1
125.05988	6.1
126.09147	1.4
129.13885	4.0
131.04950	0.9
134.37944	0.8
139.07605	0.8
149.06087	0.9
155.07018	2.9
155.11790	2.0
160.59341	0.7
166.08659	2.5
167.07050	9.6
171.14914	7.6
178.08646	3.4
188.07220	0.7
196.16983	3.9
220.09624	0.7
223.10812	1.5
232.09807	0.9
236.09227	4.5
242.08151	0.7
244.09717	0.8
257.18466	1.3
260.09204	1.3
274.10974	0.9
278.10248	3.5
290.13828	4.2
294.18066	1.7
302.10220	0.9
302.13693	1.1
312.72708	0.7
314.13956	2.5
326.24457	2.3
332.14914	17.4
342.13693	0.8
359.15878	1.7
365.40421	0.7
377.17166	2.3
388.22510	1.0
389.20828	1.4
406.22977	1.4
412.22305	1.8
413.20566	1.4
418.23248	0.9
430.23477	9.1
431.21814	7.7
436.24454	2.0
448.24426	73.8
449.24518	3.2
466.25504	52.1
467.25897	2.1
484.26517	25.3
485.27219	1.8
502.16632	1.4
502.27710	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	502.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59831	0.7
53.03942	1.1
54.73059	0.8
55.05510	4.4
57.92217	0.8
60.96313	0.9
67.05499	6.5
69.03457	1.0
69.07061	4.4
70.70834	0.7
78.03469	4.1
79.05489	6.8
80.05024	2.1
80.32581	0.7
81.03413	0.8
81.07052	11.2
82.32338	0.8
83.04976	8.4
83.08624	1.6
85.06526	1.0
91.05470	7.0
93.07035	7.9
95.04968	1.5
95.08596	9.2
96.04484	2.9
97.06522	5.6
99.08097	3.0
105.04473	0.9
105.07021	12.4
106.02911	10.2
107.08588	6.1
109.10167	3.4
109.61001	0.8
111.08105	1.1
115.05461	0.9
117.07023	3.9
119.08574	10.0
121.06518	1.1
121.10120	6.5
123.11712	2.2
124.03944	100.0
125.04313	0.9
125.09579	0.9
128.06201	1.7
129.07010	3.0
131.08546	7.6
133.10103	8.2
135.11682	2.5
136.26868	0.8
137.09601	1.5
141.06982	1.3
142.07768	2.5
143.08533	6.2
145.10106	9.9
147.08049	2.3
147.11678	5.9
149.09624	1.6
149.13242	1.5
151.11159	1.0
153.06914	1.3
155.08539	2.9
156.09328	2.1
157.10088	6.7
158.10860	1.2
159.11685	5.6
161.09581	1.3
161.13261	2.4
163.11163	1.6
167.08565	1.9
169.10120	4.3
170.10893	1.3
171.11699	8.5
171.77608	0.9
173.09746	1.1
173.13232	5.8
175.11121	1.8
175.14848	1.5
179.08516	0.8
181.10127	2.6
182.10867	1.1
183.11671	5.1
184.12505	1.1
185.13231	5.6
187.11197	3.0
187.14857	5.3
189.12727	1.2
191.14281	0.9
193.10103	1.0
194.10954	1.2
195.11723	3.2
197.13269	3.6
199.11122	1.0
199.14847	3.5
201.12798	1.8
203.14359	2.4
205.15747	1.5
209.13264	2.6
211.14813	2.9
213.12633	1.4
213.16420	4.3
215.14323	2.3
217.15926	1.0
221.13358	1.1
223.14874	2.7
224.15599	0.8
227.14326	1.7
227.18004	2.1
229.19513	1.4
237.16444	3.1
239.17952	3.7
241.15907	2.1
250.17477	0.9
253.19495	1.3
255.17432	1.8
255.21161	3.6
257.19070	2.1
265.19467	4.0
271.20587	0.9
273.22040	4.2
283.20554	15.6
301.21585	15.4
302.21890	0.9
424.24994	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	502.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20657	2.9
55.05507	8.1
56.90240	3.2
57.03434	16.6
57.07073	39.0
59.04988	2.8
67.05166	6.7
67.05504	100.0
69.07079	7.9
69.23990	8.1
69.24393	10.7
71.08628	20.0
75.24952	2.9
76.80143	2.7
81.07054	18.7
82.40954	3.4
83.08623	16.0
85.10170	17.3
89.06032	4.8
90.97353	2.8
91.05450	6.0
93.00704	3.1
93.07024	4.6
95.08592	18.0
98.95566	2.7
109.10153	87.2
111.08001	4.7
119.08581	6.2
123.11765	3.6
133.08591	3.4
137.09596	4.3
173.11795	27.1
229.14346	95.4
229.16669	4.5
313.27386	82.0
340.75595	3.5
442.76160	3.6
457.01776	3.8
467.37344	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	503.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73921	1.5
55.05503	2.0
57.03427	1.6
58.06597	4.5
60.05641	2.3
67.80499	1.4
69.03428	1.5
69.17041	1.4
70.06589	16.5
70.53492	3.2
72.04518	9.2
72.08150	10.0
80.05020	1.4
81.03422	2.1
84.08136	15.8
85.02933	1.7
94.17684	1.6
98.06066	1.9
98.09682	11.3
98.97602	3.2
99.04414	1.9
100.07610	100.0
101.07979	5.2
108.08114	2.3
110.09661	7.6
110.99036	2.8
112.04026	1.7
112.11269	8.1
113.07113	2.7
114.10306	1.5
123.08054	11.8
124.11201	3.2
125.08413	2.3
125.09609	1.6
129.13885	3.4
135.04469	1.7
137.06013	2.7
140.00439	1.7
140.07001	2.2
148.07599	1.9
153.03709	2.4
155.11737	8.0
156.12196	1.4
158.09209	1.7
162.09088	1.8
167.05582	2.6
167.07010	1.7
167.09076	1.8
168.64680	1.6
169.13213	1.6
171.04800	2.1
171.14941	6.2
175.11896	15.9
182.06377	7.8
187.14523	2.3
191.91258	1.9
194.15396	2.5
204.17148	3.3
214.15463	3.1
222.74895	1.8
228.06879	15.1
230.18739	3.2
256.06366	2.7
257.03409	4.0
272.65875	1.6
282.08032	3.4
327.04715	14.6
332.19843	2.2
347.22095	1.7
357.48734	1.7
448.24451	12.2
449.24847	4.4
466.25482	35.0
467.25949	16.4
471.65784	1.9
484.26511	39.5
484.33554	2.0
485.25119	31.9
502.27600	15.6
503.11618	66.8
503.25330	22.9
504.11444	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	503.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44162	0.2
66.13942	0.2
67.01865	0.6
67.45484	0.2
68.98988	0.2
68.99800	0.5
70.06610	0.2
70.25778	0.2
70.26122	0.4
93.88786	0.2
97.44724	0.2
103.05467	1.1
105.03389	0.6
105.17686	0.2
109.02802	0.2
115.05474	0.2
129.03378	0.7
131.04889	0.9
147.04381	0.6
153.01822	3.6
168.02869	0.3
171.02895	0.4
187.07483	0.4
209.05948	0.5
237.05489	0.2
255.06519	100.0
256.06842	3.2
285.07562	0.2
417.11679	0.7
503.11890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47081	0.5
53.03937	0.7
55.01847	0.7
58.04203	3.8
59.04982	1.1
65.90681	0.5
67.01853	0.7
68.99787	0.9
69.03419	1.5
71.04987	0.8
73.02911	12.1
73.06527	1.7
79.05482	1.3
80.05509	3.9
81.03406	1.6
81.07055	0.9
85.02888	3.4
86.09679	0.6
87.00805	1.3
87.04464	7.2
89.06026	32.6
90.06356	1.6
91.05482	1.0
93.07053	0.8
95.04926	0.7
97.02888	1.3
98.22702	1.4
98.98444	4.7
99.04456	0.7
102.06800	4.8
103.05457	1.1
105.01814	0.7
105.07025	0.8
107.07038	1.3
107.08624	0.6
109.02879	1.3
111.07299	0.8
115.05444	0.6
115.07624	0.7
117.09126	0.9
119.08556	0.8
121.02849	1.7
121.10041	0.6
123.04402	0.6
124.08104	3.2
127.03887	2.2
131.07043	1.2
133.08598	18.5
134.08891	0.6
143.01053	3.2
146.09392	1.3
147.04413	1.1
147.07944	0.8
153.01817	2.9
155.09859	2.1
159.02934	0.7
160.05127	0.6
161.05936	0.8
163.07564	0.6
164.10527	0.6
175.07463	0.8
177.11235	7.3
189.09090	1.2
193.08710	0.7
199.07451	1.0
199.12558	1.5
209.06023	0.6
219.12135	0.6
221.13739	1.5
231.10052	0.7
255.06511	100.0
256.06866	3.2
297.07687	1.0
298.07666	0.6
355.17044	1.1
399.16095	2.5
435.17529	0.7
459.21964	4.8
503.20895	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	503.1184
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
53.03934	0.4
55.01864	0.6
57.03434	0.2
61.02914	0.3
67.01853	0.6
68.99798	0.5
69.03423	1.2
73.02911	0.4
73.27805	0.1
81.03416	1.7
85.02901	2.3
87.00822	1.2
97.02874	0.9
98.23505	0.3
98.98462	2.0
99.04450	0.5
103.05462	0.6
105.01853	0.5
105.03368	0.3
106.15291	0.2
109.02852	1.2
127.03912	1.4
129.01822	0.4
129.03369	0.6
143.01033	1.4
145.04929	0.4
147.04399	0.6
153.01814	3.4
159.02864	0.8
166.19424	0.1
171.02841	0.2
187.07535	0.2
193.39496	0.1
194.58839	0.1
199.07347	0.2
203.80481	0.1
209.05971	0.4
229.23528	0.2
255.06499	100.0
256.06845	2.8
297.07449	0.2
503.24496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84951	0.8
68.99788	29.5
69.06934	4.9
69.07349	2.6
77.03928	1.1
85.68329	0.9
91.04944	1.5
91.05482	16.5
94.55322	0.9
95.01328	1.4
95.04974	1.8
103.05468	34.1
104.05818	1.2
105.03420	2.2
105.07019	13.3
112.49294	0.9
113.02359	2.5
115.05458	23.7
115.06237	1.8
123.00816	3.7
129.07025	3.9
129.08542	1.0
131.04927	100.0
132.05307	1.6
135.00769	1.2
139.00264	4.3
143.04916	30.3
147.00859	0.9
153.06992	1.1
155.04913	1.7
157.06465	4.9
163.00253	7.5
165.01884	2.5
165.06953	1.1
166.99762	11.4
169.06516	1.0
173.05908	2.9
177.01797	1.1
181.01341	2.8
181.06476	1.1
183.02899	1.1
183.04396	2.8
185.00816	38.0
185.06145	1.0
189.83127	0.9
190.99747	17.7
197.06071	1.8
199.02390	1.5
199.04001	1.1
205.01302	7.8
209.00827	20.6
211.03877	7.8
215.07011	6.6
221.06009	1.4
225.05464	3.7
227.01872	3.6
229.04944	11.3
230.99231	3.7
233.08075	1.6
239.07156	1.3
241.04936	3.6
243.06543	2.6
249.00319	6.0
249.05431	1.4
253.04977	3.5
259.06055	3.1
265.04987	2.5
267.01767	0.8
267.06531	32.2
271.06018	34.8
271.08942	2.1
276.99786	5.5
283.77600	1.0
293.04419	6.7
295.00836	1.7
295.06006	10.9
313.07040	2.9
320.46603	0.9
335.05515	3.8
337.00430	0.9
337.07086	1.9
353.06625	1.9
363.04959	10.0
364.04996	1.0
371.12726	9.5
372.13177	1.1
381.06036	11.4
397.10880	7.0
439.11771	6.4
441.12897	1.5
467.11209	16.2
475.00400	1.0
485.12311	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	503.1732
Annotation	Phenazostatin C
Peak:m/z	Relative Intensity
58.37892	0.8
70.06588	0.9
71.43053	0.7
80.12020	0.7
82.48050	0.7
85.02872	1.5
86.09689	1.6
87.04449	3.0
89.06039	6.2
104.28345	0.7
121.02818	1.7
130.05031	0.9
133.08563	2.3
137.05928	0.9
138.72253	0.8
155.03162	1.3
163.07552	2.3
302.20679	0.9
303.12759	0.9
327.13394	1.5
359.09448	2.8
385.07520	1.8
399.16052	0.8
403.08389	2.5
407.63663	0.8
417.17194	5.9
428.51810	0.9
441.17212	2.1
459.18347	57.7
460.18536	2.6
503.17307	100.0
504.17871	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.187
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06613	0.8
70.70765	1.4
73.71971	0.7
84.04510	1.4
85.02898	1.5
86.09715	2.4
95.04975	2.9
96.31253	0.9
107.04947	19.7
115.16323	0.7
117.07027	1.3
130.70110	0.9
135.08037	47.2
137.06003	4.8
145.06490	3.6
147.07695	0.9
161.06020	1.6
163.07530	100.0
164.07921	1.7
175.07471	1.0
181.08623	2.5
187.07562	1.4
220.09668	58.6
221.10037	1.8
262.63898	1.0
272.00217	0.9
311.12674	1.3
328.99432	0.7
385.95306	1.0
503.10770	4.5
503.20975	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	503.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84010	0.3
67.96127	0.3
69.70689	0.5
69.71040	0.6
74.40691	0.3
79.05487	0.4
85.02903	0.4
91.05488	0.5
95.04974	2.8
106.55472	0.3
107.04942	20.9
107.08560	0.5
108.05261	0.4
117.07014	1.0
135.08037	41.4
136.08369	0.7
145.06461	2.0
163.07521	100.0
164.07895	1.9
185.52306	0.3
220.09662	56.7
221.10005	2.1
230.75142	0.3
367.80472	0.3
367.93576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18970	0.4
51.99924	0.4
55.01864	0.5
61.02903	0.5
65.03938	0.7
66.04700	0.8
69.03426	2.8
69.68875	0.7
69.69246	1.5
79.05499	2.0
81.07053	1.2
84.04494	0.5
85.02897	5.5
91.05474	2.8
94.04184	2.7
95.04974	0.8
97.02900	1.3
103.05451	1.2
104.06223	0.8
105.03365	2.9
105.07029	5.6
107.04940	1.4
109.02883	0.6
109.06516	2.3
115.05448	3.8
116.06246	0.5
117.06996	1.4
119.04893	0.5
119.08572	2.6
121.06591	0.5
122.03651	7.9
127.03912	1.3
128.06236	2.0
129.07019	2.2
130.04970	1.3
131.04915	1.6
132.05745	2.4
133.06493	4.0
137.05968	100.0
138.06308	2.5
141.06964	0.4
143.04951	0.8
143.06107	0.4
144.05696	0.7
145.05002	0.6
145.06458	1.3
146.03616	0.8
147.04376	1.1
147.08002	3.0
149.05995	1.4
151.03822	0.7
151.07523	0.9
155.04881	0.9
156.05487	0.7
156.06644	0.7
159.08052	3.1
160.05173	1.5
161.05965	13.8
163.07516	0.8
166.07245	1.7
167.05565	0.6
167.06882	0.5
171.08076	0.7
172.05234	1.4
175.07530	28.2
176.07961	0.5
179.07016	1.7
184.05157	1.0
187.07526	9.7
189.06982	1.0
189.09048	0.6
190.07756	2.2
191.06973	0.8
191.08537	6.9
199.07538	9.0
202.07730	2.3
203.08519	5.3
205.06520	0.6
207.02902	1.3
207.08035	1.2
208.08826	1.0
217.08577	0.8
218.07310	1.6
219.08018	10.4
220.08765	2.2
221.05858	0.5
231.08060	5.0
232.08754	1.5
235.07489	1.1
235.10974	0.5
236.08246	2.1
247.07542	4.1
248.08223	2.9
249.09142	1.0
251.10646	12.5
259.07520	3.8
260.08286	1.3
261.09091	1.3
263.10663	3.6
264.07898	1.5
265.08527	0.8
276.07849	1.6
277.08484	2.2
279.10138	11.1
280.10864	1.7
281.08261	0.5
291.10095	9.1
292.10883	3.3
295.13205	0.9
296.10327	0.7
306.09918	0.6
308.10309	1.0
309.11371	0.5
311.12753	23.9
312.13196	1.1
323.12744	13.7
341.13788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01868	1.4
57.03436	2.9
57.38819	1.2
61.02927	3.7
69.03414	8.2
69.41438	4.8
70.06566	1.1
71.04983	1.6
79.05494	2.1
81.03426	5.2
85.02900	22.4
91.03967	1.5
91.05471	2.7
94.04186	2.9
97.02876	8.7
99.04434	1.3
100.07613	1.4
107.04963	1.4
109.02861	2.3
109.06529	3.7
117.03407	1.4
119.04931	1.7
122.03653	8.0
127.03948	3.8
128.06172	1.4
129.06995	3.3
131.04924	4.0
137.05974	100.0
138.06357	1.7
141.06969	1.7
145.02846	3.4
145.04947	2.6
149.05991	2.6
151.07539	6.7
157.06482	2.4
160.05269	1.5
163.03935	1.3
169.06451	2.2
172.05145	1.9
174.06779	5.0
175.07552	6.3
177.05511	6.1
186.06776	1.6
187.07541	26.6
188.08147	1.4
189.09076	8.2
191.08510	1.6
191.21297	1.4
199.07539	2.2
201.09074	12.0
203.08583	2.5
207.02899	5.4
211.07520	1.5
217.08585	17.7
219.08017	2.3
220.08842	2.0
231.08144	3.6
233.09590	2.3
235.02400	2.5
235.07675	1.9
236.08289	2.2
237.09090	1.7
247.07588	3.4
248.08299	5.7
251.10713	1.8
259.07465	1.6
261.09027	3.3
263.10696	3.4
264.07678	1.3
265.08658	2.3
271.09784	2.6
277.08557	3.2
279.10248	4.8
291.10092	8.7
293.07993	1.8
293.11655	1.5
296.10382	3.5
297.11115	2.2
308.10437	2.1
309.11237	2.2
311.09302	1.9
311.12744	10.2
323.12747	20.7
325.14377	10.8
327.04587	3.2
341.13879	7.2
356.11288	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	504.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56652	1.0
55.05508	1.9
57.03417	1.5
62.06087	73.0
67.05487	9.4
67.06887	1.4
69.03431	3.5
69.07065	3.5
70.02959	5.3
71.04986	4.2
72.38055	1.2
73.02895	1.9
79.05485	9.2
81.03407	3.5
81.07051	11.4
85.02906	4.5
85.06546	2.4
87.85031	1.3
88.03996	2.7
90.89613	1.0
91.05486	6.8
93.07048	16.6
93.14438	1.1
95.04945	1.5
95.08614	6.3
97.02895	1.5
97.06518	2.7
105.07024	2.9
107.08598	6.8
107.42013	1.2
109.02866	1.4
111.08024	1.5
117.07018	4.2
127.03879	2.3
131.08513	2.7
133.10153	1.6
135.08009	2.7
135.11668	6.3
149.13222	2.9
151.03842	1.5
159.11720	5.7
177.12758	6.1
184.82352	1.2
189.74162	1.0
219.27895	1.2
220.10692	1.3
226.18034	1.2
238.17999	20.2
256.19064	100.0
257.19403	3.2
268.07040	1.8
298.07864	2.4
342.16986	3.0
441.97693	1.3
504.22864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.5
67.05497	38.5
67.58330	4.7
69.03420	8.7
69.07056	19.1
69.59735	17.7
70.53384	6.5
79.05478	18.4
81.03399	8.4
81.07054	69.2
83.08596	8.6
85.02894	15.4
87.00838	6.8
91.05470	20.2
93.07052	56.1
95.08605	75.2
97.02872	9.0
105.01865	8.7
105.07024	75.2
107.08594	57.1
108.90714	5.0
109.02851	9.5
109.10152	100.0
119.08578	57.7
121.10145	20.0
123.11718	19.1
127.03906	14.6
133.10107	40.1
135.11649	43.6
139.00090	5.5
145.04929	6.9
147.11691	61.9
161.13258	15.4
194.31958	6.3
203.17955	57.6
205.75171	4.8
214.73477	4.8
221.19025	11.5
225.83310	5.2
247.32188	5.8
454.53659	5.4
461.19672	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	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45406	4.5
55.05516	20.4
57.59293	4.3
59.04987	7.5
65.03948	5.9
65.66019	4.5
66.44862	4.4
67.05495	32.6
69.03430	11.8
69.07069	41.3
70.65801	8.2
71.04974	5.1
71.14877	5.7
73.02930	7.3
79.05484	27.3
81.03416	11.5
81.07057	100.0
83.08636	11.8
85.02904	30.7
87.00829	18.5
91.05450	28.0
91.57655	4.4
93.07040	75.1
95.04941	10.7
95.08599	77.3
96.35166	4.5
97.02895	20.0
97.06542	8.2
97.10212	4.4
98.97604	7.4
105.01867	15.4
105.07024	56.8
107.08579	68.2
109.02872	19.4
109.06494	4.6
109.10162	56.8
111.04446	5.0
114.54803	4.3
119.08594	55.6
121.10131	48.6
123.11715	22.6
127.03920	21.8
131.08548	7.4
133.10118	33.2
135.11688	62.1
145.05005	13.3
145.10168	6.3
147.11665	51.1
149.13252	9.3
159.11742	6.5
161.13295	18.2
162.09045	7.1
173.13345	4.6
190.12315	9.3
203.17941	57.6
210.79071	5.1
221.18988	7.8
337.11926	8.4
399.15030	5.9
418.29736	7.5
438.56046	5.6
448.30560	7.9
476.18423	5.0
504.33170	80.0
505.19937	20.1
505.33118	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.05506	20.3
57.07060	2.4
67.05498	55.9
69.03422	8.8
69.07067	34.6
70.07182	3.8
71.04977	3.4
79.05490	21.4
81.03404	6.6
81.07053	88.9
81.66344	2.5
83.08616	10.4
85.02894	15.2
85.06520	4.1
87.00836	6.6
91.05458	26.8
93.07041	72.2
93.75803	2.7
95.04952	6.8
95.08601	95.2
97.02905	7.6
97.06495	3.4
97.10188	3.2
99.04446	3.3
103.05539	3.7
105.01924	6.0
105.07027	83.4
107.08586	73.0
109.02886	5.1
109.06560	3.5
109.10147	100.0
109.10897	5.6
111.08067	4.8
117.07040	4.5
119.08562	78.3
121.10147	34.5
123.08163	3.1
123.11715	18.4
124.04019	3.1
127.03922	11.1
133.10132	37.8
135.11684	48.8
137.13211	4.7
139.11215	4.3
145.04927	5.7
145.10126	7.9
147.11674	75.0
148.11937	2.8
149.13304	2.8
151.11165	3.4
161.13240	22.6
163.14801	5.7
165.12712	4.3
175.14709	5.9
177.16414	5.7
195.76385	2.7
203.17926	67.3
221.19034	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	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14865	5.0
55.05506	16.2
57.07062	7.2
67.05497	48.9
67.82339	5.2
69.07068	18.6
70.64943	12.9
73.29707	6.1
74.23738	5.0
79.05486	21.4
81.07056	75.2
84.08114	5.7
91.05466	28.7
93.07038	87.4
95.04970	6.8
95.08610	100.0
102.06451	5.8
105.07025	72.8
107.08589	83.1
109.10145	97.0
117.92274	6.5
119.08572	57.9
121.10153	37.2
123.11674	11.7
133.10121	31.4
135.11716	54.6
136.12846	5.8
147.11684	71.9
161.13266	18.9
166.95763	7.4
203.17883	63.6
203.19612	6.3
204.72076	7.3
504.18280	7.1
505.19424	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92939	2.8
53.03938	3.7
55.01868	8.0
55.05516	17.9
56.05029	10.2
56.94691	2.7
59.17637	3.4
67.05502	46.4
69.03430	7.0
69.07065	59.1
70.48878	4.4
70.49206	5.6
71.05013	4.1
79.05505	29.6
79.27069	3.0
81.03441	8.4
81.07054	40.6
83.04991	9.6
83.08619	15.9
85.02895	8.3
85.06585	3.4
91.05471	33.3
93.07047	31.4
95.01331	5.4
95.04955	8.5
95.08600	33.9
97.02868	4.9
97.06522	16.6
97.10153	12.2
105.07005	33.9
107.04956	9.5
107.08599	21.6
109.06568	5.7
109.10157	13.6
111.04436	4.5
111.08057	5.3
113.02395	3.7
116.01580	3.5
116.98625	4.0
117.07002	10.5
119.08589	25.8
120.62232	3.3
121.10136	17.5
124.03976	11.8
125.09622	7.5
129.07014	3.6
131.08542	13.3
133.10124	23.3
135.11719	10.6
141.01839	10.7
145.10164	9.4
147.04375	3.9
147.11716	11.6
149.09596	22.6
157.10165	5.0
159.11687	11.5
161.13298	15.1
161.14580	2.9
163.11163	10.0
165.09070	3.1
169.10110	3.7
171.11649	6.2
173.11758	8.6
173.13300	11.2
175.11139	3.0
179.14310	10.7
189.11224	10.6
194.15408	6.7
212.16417	35.3
247.20796	3.3
257.18967	12.3
275.20074	100.0
292.22717	9.0
293.21234	17.1
310.23767	12.4
328.24570	4.1
357.13791	5.4
399.14667	8.7
404.07626	8.8
427.15515	4.3
440.85205	3.8
448.30621	6.2
498.02811	3.6
504.17133	5.3
504.33603	39.5
505.19321	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	504.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05498	3.1
57.03432	3.6
57.44472	1.1
58.06593	4.2
67.05505	10.6
68.05011	1.0
69.03418	2.8
69.07070	1.2
69.30160	1.0
70.06235	1.8
70.06593	23.2
70.65195	2.0
70.65552	1.2
71.01347	4.1
71.05009	1.6
72.04515	6.6
72.08154	22.2
73.02921	5.7
79.05483	7.5
79.88739	0.9
81.07053	3.1
83.04983	3.3
84.08146	7.7
85.02900	19.6
91.05499	1.2
95.01322	1.3
95.04958	2.3
96.08103	1.6
97.02906	2.5
98.09705	1.7
99.00833	1.9
100.07615	100.0
101.02365	1.7
103.03912	1.5
104.12007	0.9
107.04997	1.6
107.08594	6.6
108.08126	2.0
109.10139	1.3
110.09682	28.8
113.02357	9.1
116.07093	1.4
117.10291	1.4
120.08121	1.3
123.00883	1.1
124.11220	21.9
125.09634	18.6
127.12292	2.4
129.10263	1.1
131.03401	2.9
131.04953	2.3
133.88684	1.0
136.11212	3.9
141.01823	4.0
151.03819	1.2
152.10687	8.3
156.35280	1.1
157.22803	1.0
159.02879	4.0
171.11313	1.2
178.15889	12.0
180.17482	3.3
187.14432	11.0
196.16977	11.4
204.17134	4.3
206.15402	2.5
224.16475	7.5
235.25014	1.1
242.18576	1.3
256.20187	5.3
310.24844	38.5
328.25931	41.0
329.26169	1.3
372.20169	5.9
373.07446	1.3
399.09384	1.1
481.00006	1.1
487.10754	1.5
504.29120	72.9
505.11664	3.5
505.29459	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	504.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.05033	1.2
58.06593	3.7
61.39143	0.6
67.05498	2.8
68.05005	0.9
69.03414	1.1
69.07066	0.7
70.06590	17.5
70.53876	1.2
71.04976	2.2
72.04514	6.2
72.08156	16.5
79.05480	2.2
81.07055	3.1
84.04498	0.7
84.08146	7.7
85.02890	1.0
86.06033	0.8
88.07617	0.6
93.07056	1.7
95.08597	0.8
96.08112	1.6
96.86954	0.6
97.94941	0.6
98.09706	2.6
99.82072	0.6
100.07614	100.0
101.07938	1.2
107.08574	1.1
108.08125	2.8
110.09674	26.0
111.10001	0.7
111.19609	0.6
117.10300	0.7
123.10412	0.9
124.11251	1.0
125.09653	1.6
127.12326	1.5
128.10715	1.0
136.11180	1.3
142.12331	0.9
149.09576	0.8
151.03922	1.2
156.13812	0.6
171.11282	2.4
187.14395	10.4
194.15401	1.8
196.16962	77.6
197.17361	1.6
224.16441	13.1
327.04807	2.1
328.04974	5.6
328.25922	73.8
329.26315	1.7
372.20175	5.0
504.08359	2.4
504.29132	67.8
505.29425	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	504.32
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.1
57.07069	34.2
62.03852	1.8
69.07057	3.4
69.72997	6.3
71.08630	24.9
73.06551	3.9
83.08601	1.9
85.10185	17.7
85.39233	2.0
87.04461	2.2
87.10033	1.8
88.63446	1.8
89.06025	89.4
89.75550	1.9
97.10168	3.0
98.22745	3.2
99.11758	4.1
107.07069	1.8
109.59519	1.8
113.13301	2.4
117.09134	1.9
133.08604	44.4
151.09610	2.8
169.19612	1.9
177.11189	12.1
195.12212	1.7
210.32466	2.5
221.13939	2.7
239.14897	25.5
257.24792	7.7
262.45554	2.2
301.27261	5.1
401.79236	1.9
407.33646	100.0
408.34018	6.3
453.57370	2.4
505.31262	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
55.51035	0.4
59.05001	100.0
59.90395	0.5
60.05345	0.6
69.65467	0.9
69.65853	1.0
73.06543	2.0
73.87476	0.4
87.04456	1.6
89.06023	4.4
97.02885	0.5
97.06498	0.4
103.07578	76.8
103.65689	0.5
104.21786	0.5
117.09142	1.6
121.02856	0.9
133.08583	3.1
147.10155	30.5
165.01772	0.6
177.11240	1.1
191.12758	1.7
254.05855	0.5
255.06488	1.4
302.09360	0.5
313.03769	0.8
313.07050	9.5
313.10587	0.5
314.07275	0.5
324.14304	0.5
341.38025	0.5
359.42902	0.6
472.15845	0.9
487.30615	1.1
504.33667	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	505.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15018	0.2
52.63163	0.2
68.99789	0.4
69.31679	0.3
69.32081	0.7
74.89714	0.2
85.27341	0.2
88.43030	0.2
95.36646	0.2
105.07039	1.9
105.77050	0.2
105.79048	0.2
123.69807	0.2
133.06494	1.0
135.04448	0.5
139.00266	2.2
161.84044	0.2
166.99783	0.4
181.01295	1.4
182.02080	0.8
183.02873	6.3
185.00766	0.3
201.05399	0.3
211.66434	0.2
234.07072	0.2
271.05994	17.6
272.06357	0.7
285.07532	0.4
296.06866	0.3
299.05487	63.2
300.05841	2.2
313.06879	0.3
314.07809	10.1
315.08130	0.5
329.10172	100.0
330.10519	3.8
334.97678	0.2
505.13437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1335
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
54.11044	0.1
68.99803	0.1
69.03391	0.2
71.42355	0.1
71.54867	0.1
73.02894	0.1
84.97455	0.2
85.02862	0.2
88.87351	0.1
91.05439	0.3
107.01292	0.1
118.04137	0.2
119.04926	0.6
121.02072	0.1
121.02859	1.2
123.00610	0.1
125.02329	0.3
129.64360	0.1
140.76378	0.1
145.02802	0.1
150.03072	0.2
153.01810	4.0
168.04185	0.1
169.01332	0.1
171.02837	0.4
181.01302	3.9
182.01619	0.1
193.97797	0.1
196.03574	0.2
199.02370	5.1
200.98448	0.3
208.98947	0.1
211.06000	0.7
225.05435	0.2
229.04872	0.3
241.04906	0.1
243.06511	0.5
253.04871	0.3
254.99365	0.1
267.06552	0.1
268.07303	0.3
269.04355	0.3
269.08005	0.1
270.05240	0.7
271.05981	7.1
272.06216	0.3
283.06009	0.2
284.03094	0.2
284.06714	0.2
285.07532	1.5
287.03604	0.1
295.05734	0.1
296.06839	0.9
297.04260	0.1
297.07416	0.2
298.04657	0.3
299.05475	62.9
300.02344	0.1
300.05811	2.5
301.07080	0.1
301.10553	0.1
313.07001	1.5
314.07800	10.4
315.08203	0.4
329.10147	100.0
330.10468	4.1
359.06030	0.1
376.08582	0.1
505.13376	14.2
506.13535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
53.85842	1.4
55.01864	4.2
57.03421	6.4
61.02917	4.7
68.99778	6.0
69.03426	16.6
69.92038	5.2
71.04980	2.4
73.02914	3.9
73.73651	1.5
81.03421	20.9
85.02905	47.4
87.00833	16.9
91.03959	1.9
95.04933	1.6
97.02899	16.4
99.04459	7.6
103.05464	13.0
105.01829	8.3
107.04949	2.9
109.02878	19.2
115.54296	1.6
117.01870	1.8
118.31128	1.6
123.04388	2.9
125.02283	1.8
127.03925	21.7
129.01810	2.0
131.04927	35.7
135.04286	2.1
141.24008	1.5
145.04944	11.1
147.02876	1.8
151.03922	2.8
153.01834	39.6
159.02895	14.4
165.01857	9.8
171.02855	2.7
177.01846	6.9
179.03410	2.1
183.02847	1.8
187.03886	2.5
189.01808	1.7
191.03394	11.2
195.02892	41.1
195.04718	2.6
208.24959	1.6
215.03409	5.8
219.02904	9.2
231.04903	1.9
233.04401	2.5
237.03960	1.6
243.02850	5.8
251.84180	1.8
257.08078	100.0
258.08405	3.8
261.03900	15.1
269.08109	2.9
281.08038	16.3
299.09119	25.7
310.19870	1.5
323.09232	16.1
347.09149	7.5
365.10156	23.0
451.10223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1342
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
53.03941	0.5
55.01858	0.5
65.27126	0.3
65.27828	0.4
67.01866	3.2
67.06086	0.3
68.99776	2.0
69.03429	2.4
70.06570	0.5
71.04961	0.6
73.02905	0.7
79.05492	1.0
81.03416	2.0
85.02898	4.6
87.00816	1.5
90.03493	0.5
91.05474	1.5
95.04972	0.5
97.02885	2.5
99.04463	0.5
103.05463	6.6
105.01849	1.5
105.03366	1.0
105.06982	0.9
107.04918	0.8
109.02874	2.0
111.00802	0.5
114.12762	0.4
119.08504	0.5
123.04390	0.7
125.02315	1.0
126.01060	7.8
127.03914	4.2
128.02718	0.4
129.01819	1.3
131.04919	18.5
132.05185	0.5
145.04904	1.4
151.03885	1.3
153.01813	63.8
154.02174	1.0
159.02916	1.1
160.68495	0.4
169.01259	0.8
171.02870	23.3
173.05956	1.1
179.03410	0.7
185.13197	0.5
191.07040	0.6
195.02872	0.9
199.02222	0.5
209.05908	0.5
215.07018	1.3
215.10468	0.5
257.08060	100.0
258.08371	3.5
258.24521	0.4
281.08017	0.4
299.05609	0.6
299.08914	0.9
315.08661	2.2
329.10156	0.9
506.09891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86699	0.7
78.68288	0.8
84.96534	0.8
91.05465	1.5
100.07567	0.9
131.04912	0.9
136.05156	0.9
145.03932	1.4
151.07483	6.3
166.06320	1.7
181.08606	4.7
197.03432	1.0
213.02869	6.3
214.01320	1.1
218.00830	2.0
231.03987	3.7
232.02386	2.3
241.02412	17.5
242.00703	1.6
259.03491	38.1
260.01935	2.8
269.01935	3.1
271.03534	1.3
273.01428	4.3
287.02991	3.3
291.02472	3.7
297.01346	11.3
297.99832	1.0
315.02432	32.4
329.04062	1.7
333.03510	100.0
334.04166	1.1
370.17853	1.7
385.20184	1.4
401.07816	3.2
419.08716	61.6
420.08844	4.7
464.82632	1.3
505.13904	59.6
506.14200	4.2
508.90726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83199	3.3
52.11296	3.1
53.03954	4.3
54.78012	3.0
55.05304	2.8
55.05520	26.8
56.96565	79.7
65.03934	3.5
67.05502	14.5
69.03428	64.8
69.07060	8.2
70.81007	5.4
79.05493	15.0
81.03418	29.8
81.07054	24.6
83.04981	51.5
83.08625	6.5
84.96037	35.0
85.06533	4.7
85.14803	3.3
88.82279	3.1
91.05475	30.9
93.07050	21.5
95.04980	8.5
95.08607	16.3
98.97583	38.0
104.24698	2.9
105.07021	38.3
107.08570	23.4
109.06523	7.8
109.10147	3.4
111.04441	79.6
115.05431	4.9
116.98618	27.3
117.07024	30.2
119.08588	35.7
120.08985	3.9
121.10149	12.0
128.06238	6.5
129.07010	11.8
131.08591	40.8
133.10138	10.6
134.99686	7.2
135.08084	6.7
135.11678	4.7
139.00659	5.8
140.98610	5.1
141.07024	7.2
141.99333	4.1
143.00163	6.8
143.08571	25.7
145.10120	31.1
147.11694	8.7
149.09630	9.5
149.13234	3.9
153.07059	3.4
155.00182	6.4
155.08575	13.5
156.09302	8.4
157.01727	10.3
157.10126	15.2
158.10812	5.1
159.03352	3.8
159.08072	4.6
159.11729	11.3
161.01260	4.9
161.13260	14.0
163.11209	5.6
163.14859	39.0
165.06979	4.5
167.00209	4.0
167.08568	4.6
169.01770	4.8
169.06499	4.1
169.10143	10.4
171.03258	3.9
171.11690	19.0
173.01199	3.6
173.13235	65.8
175.11195	6.7
179.08522	5.3
181.10132	9.7
183.11681	16.6
187.02817	9.9
189.12782	8.4
191.14296	29.2
195.11685	9.1
197.13272	5.1
201.12733	11.0
209.04927	3.7
212.89944	3.4
213.12903	3.5
217.10316	4.6
219.13898	9.5
223.06401	3.6
223.14809	4.2
235.13237	8.2
239.14467	3.7
245.08536	4.0
261.07907	4.2
263.09317	5.7
283.16913	7.0
291.12524	7.8
299.09909	4.0
299.16406	4.7
327.12717	5.7
339.12683	34.6
345.13693	4.9
347.18579	19.1
355.12286	4.4
357.13763	66.2
357.17899	2.3
375.14700	12.5
381.14035	5.6
385.13208	62.1
399.14795	100.0
403.14255	23.7
417.15915	24.8
445.15421	20.5
463.16684	7.6
505.17300	61.2
523.18475	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	505.1766
Annotation	Raffinose
Peak:m/z	Relative Intensity
50.47177	5.6
57.03404	5.9
61.02921	43.1
69.03428	7.5
69.43049	26.5
70.72444	5.3
73.02909	16.8
80.94913	4.8
85.02906	100.0
91.03960	57.0
92.41569	6.2
97.02905	32.4
109.02831	7.6
127.03910	26.2
129.14104	5.3
145.04947	49.2
163.06003	59.2
219.08359	9.3
237.08125	5.5
356.98865	6.2
393.18387	7.8
493.33694	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	505.187
Annotation	Interiorin D
Peak:m/z	Relative Intensity
55.01855	0.3
55.05513	0.4
55.06817	0.3
57.59664	0.2
61.01151	1.8
66.90269	0.3
67.05490	0.8
69.03422	1.7
69.07056	0.5
69.78151	0.9
74.38965	0.3
79.05483	0.7
79.08096	0.2
81.03413	2.3
81.07048	0.7
83.04972	1.7
89.00623	0.7
91.05492	1.2
92.58271	0.3
93.07048	0.6
95.04974	0.9
95.08601	0.6
98.22737	0.4
102.12080	0.3
105.07024	1.3
107.04959	0.4
107.08595	0.7
109.06491	0.4
111.04465	1.6
117.07027	0.8
119.08599	1.4
121.06508	0.3
121.10123	0.3
126.01154	0.3
127.01558	0.7
131.08554	1.6
133.06482	0.3
135.08069	0.3
141.07037	0.3
142.07822	0.5
143.08562	1.0
145.10060	1.5
147.08083	0.5
147.11705	0.4
155.08542	0.6
156.09277	0.3
157.10164	1.3
158.10849	0.5
159.08081	0.3
159.11736	0.7
161.09572	0.3
161.13249	0.3
163.11208	0.4
169.10158	0.7
171.08008	0.4
171.11673	0.7
173.09671	0.7
173.13297	2.0
179.08574	0.5
181.02988	0.5
181.10136	0.6
182.11031	0.3
183.11729	0.5
185.13255	0.5
187.11143	0.7
191.08754	0.3
197.13336	0.4
217.10172	0.3
219.13763	0.3
237.12665	0.4
241.59363	0.3
247.00238	0.3
255.13821	0.6
269.11630	0.4
273.14951	1.0
313.14081	6.3
325.17807	0.5
353.17065	1.2
371.18384	0.4
381.15033	1.1
383.12863	0.5
399.16000	5.1
400.16153	0.3
401.13614	0.7
405.17245	0.9
417.17194	1.1
427.15512	24.6
428.15741	0.9
445.16559	16.4
446.16992	0.8
469.17114	0.3
487.17700	0.8
505.18649	100.0
506.18982	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	505.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.4
57.47739	0.3
69.63366	0.8
70.06606	0.4
70.18829	0.4
72.08154	0.4
84.01871	0.3
84.04473	0.8
84.08118	0.5
85.02898	0.4
86.09701	1.1
91.05469	0.7
94.25124	0.3
98.23504	0.4
116.57402	0.3
119.04919	1.3
130.05017	1.2
137.05997	0.8
147.04433	0.7
147.07648	1.4
151.07529	0.9
152.08604	0.4
156.03917	0.4
161.05994	0.7
179.07021	0.6
185.04248	0.7
203.05348	0.4
238.41570	0.3
241.48193	0.4
253.95554	0.4
259.07791	0.9
286.04791	0.6
299.14783	1.2
301.07175	0.6
325.16159	0.5
331.10074	1.3
343.17242	1.1
443.18939	1.1
443.35565	0.4
461.19943	14.7
462.19598	0.7
469.20529	0.6
487.21451	8.1
505.22522	100.0
506.22879	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2407
Annotation	Xanthanthusin G
Peak:m/z	Relative Intensity
50.74611	0.2
50.92100	0.2
55.05495	0.4
55.56807	0.3
67.05499	0.8
68.28935	0.3
70.63362	0.3
79.05473	0.5
81.03410	1.1
81.07039	1.0
83.04939	0.3
84.11240	0.2
87.88879	0.3
91.05465	1.0
93.07040	1.1
95.04948	0.3
95.08601	0.9
97.02887	0.3
97.06522	0.4
105.07018	1.1
107.08594	1.0
117.07046	0.4
119.08550	0.8
121.10133	0.4
125.15294	0.3
127.01561	0.8
128.18211	0.3
129.06940	0.4
131.08598	0.7
133.10124	0.3
135.08072	0.3
143.08559	0.4
145.10103	0.9
146.48332	0.3
147.11655	0.4
153.05220	0.4
157.10123	0.8
159.11736	0.4
169.10001	0.5
170.10818	0.4
171.11705	0.6
173.13310	0.5
181.10100	0.3
183.11713	0.4
211.14803	0.3
221.07889	0.8
235.09355	2.9
249.07352	0.7
264.09698	0.7
265.10571	0.6
339.15247	0.3
367.18881	0.3
385.19824	16.0
386.20508	0.3
445.21939	24.4
446.22375	1.1
505.23981	100.0
506.24292	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	506.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.3
57.95411	0.3
63.22638	0.2
68.99782	0.5
69.20541	1.7
74.39825	0.3
77.00237	0.3
91.05415	0.6
92.01324	0.4
93.58071	0.2
94.29453	0.2
104.01294	0.3
146.02330	0.7
158.02246	0.3
160.00339	0.4
172.00249	0.5
174.01849	0.7
178.01282	0.3
186.01894	0.4
199.99680	0.6
202.01353	2.8
214.01311	2.6
215.02057	0.7
218.00854	0.8
226.01337	1.1
227.99216	2.5
230.00804	0.4
232.02380	1.4
242.00822	2.5
243.01660	1.3
254.00833	0.5
255.98714	3.8
260.01825	0.9
261.02698	0.8
266.02866	0.3
270.00314	2.9
271.01068	1.0
273.99771	3.6
276.01080	0.3
288.01355	1.4
292.00848	3.2
297.99792	100.0
299.00256	3.1
316.00839	24.5
317.01285	1.1
334.01956	1.8
360.04926	1.7
375.07492	0.5
384.05103	0.3
402.06049	37.7
403.06613	2.6
420.07043	7.2
506.12317	23.1
507.12924	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	506.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99045	1.3
61.86839	1.3
63.49284	1.4
65.19246	1.4
67.05513	1.8
69.21131	9.6
81.07050	1.8
91.05457	1.7
95.08598	1.7
100.76396	1.4
120.97105	2.2
131.04926	2.0
174.01862	2.4
183.00461	1.5
202.01399	3.9
207.72256	1.6
214.01370	4.2
218.00865	6.3
219.17442	1.7
226.01556	2.1
227.99289	4.5
232.02400	10.1
242.00899	6.8
255.30415	1.4
255.98909	4.4
259.68735	1.5
260.01871	3.4
270.00229	12.9
273.99799	9.6
288.01398	12.4
292.00836	17.8
297.99799	100.0
299.00339	2.5
316.00845	93.9
317.01248	5.5
318.07837	2.0
334.01895	36.6
346.07010	3.1
358.07153	2.8
360.04822	2.0
365.30432	7.3
374.06586	2.4
375.07596	2.5
402.06067	61.6
403.06848	5.0
420.07074	44.1
421.07449	2.9
478.12833	2.9
506.12381	54.8
507.12833	9.1
508.83185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11038	0.2
61.16902	0.2
68.99791	0.6
69.19609	0.2
69.20016	0.7
82.90250	0.2
91.05483	0.9
92.01318	0.6
92.99752	0.4
104.01308	0.3
106.02908	0.2
106.64255	0.2
106.65097	0.2
111.03392	0.2
130.02837	0.2
144.00758	0.2
146.02362	1.3
158.02261	0.3
160.00296	0.3
170.02345	0.2
172.00294	0.5
174.01860	1.5
178.01295	0.6
184.63205	0.2
186.01927	0.9
187.99744	0.2
190.01317	0.4
192.02892	0.6
198.01846	0.2
199.99721	0.7
202.01337	4.4
203.62263	0.2
204.02890	0.3
214.01341	3.4
218.00798	1.6
220.02232	0.2
226.01378	1.5
227.99252	4.6
230.00830	0.9
232.02393	2.7
242.00836	3.6
246.00342	0.2
254.00891	1.0
255.98753	4.3
260.01862	1.4
266.03006	0.3
270.00317	3.5
272.01883	0.3
273.99780	4.3
288.01340	1.6
292.00851	4.4
297.99799	100.0
299.00153	3.2
316.00854	27.5
317.01285	0.9
334.01904	3.4
360.04987	1.7
374.06561	0.3
384.05002	0.3
402.06064	39.5
403.06357	1.9
416.01080	0.2
420.07108	9.4
421.07321	0.5
506.12332	18.4
507.12793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00302	0.9
68.99807	1.0
69.40139	0.9
69.40418	3.8
92.01383	1.7
98.22671	1.8
104.01363	1.9
126.65363	0.7
146.02339	1.7
172.00294	4.1
186.01869	2.6
190.01270	1.8
196.02327	0.9
199.99751	8.5
202.01350	3.8
204.02901	1.8
212.57036	0.7
214.01350	10.1
216.58464	0.9
218.00821	12.6
226.01360	1.2
227.99277	3.1
232.02406	17.5
242.00806	15.7
254.00798	1.8
255.98778	4.1
259.99411	1.1
260.01907	7.7
270.00287	7.8
272.01920	0.8
273.99823	40.8
275.00009	1.3
288.01306	4.1
292.00867	38.4
297.99808	45.3
299.00217	1.4
316.00861	91.6
317.01245	3.6
334.01910	50.1
335.02124	1.1
360.05167	0.9
365.04608	0.7
402.06064	28.1
403.06253	1.3
414.92169	0.8
420.07114	100.0
421.07474	4.7
506.12344	71.3
507.12805	4.9
532.01611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22069	0.3
63.32087	0.4
68.99802	0.5
70.80166	0.3
81.14347	0.4
91.05406	0.6
104.01362	0.4
105.37934	0.3
146.02347	0.8
170.02420	0.4
172.00266	0.6
174.01820	1.1
178.01439	0.3
186.01924	0.7
192.02982	0.4
199.99754	0.6
201.99635	0.4
202.01344	3.9
214.01314	3.0
218.00803	1.2
226.01260	1.1
227.99242	3.4
230.00851	0.8
232.02377	1.9
242.00755	3.4
243.01634	0.5
254.00880	1.0
255.98773	4.2
260.01807	1.1
263.42224	0.3
270.00330	3.0
270.77618	0.3
273.99799	5.6
288.01306	1.3
292.00803	4.4
297.99799	100.0
299.00125	3.1
316.00854	23.9
317.01126	0.7
334.01898	4.1
356.96783	0.3
360.05078	1.5
374.06564	0.5
402.06055	39.7
403.06470	2.1
420.07108	9.2
421.07321	0.5
506.12320	24.9
507.12396	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	506.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02628	0.2
68.99787	0.6
69.20219	1.3
89.20532	0.2
89.60512	0.2
91.05447	0.6
92.01311	0.4
92.99770	0.4
119.23570	0.3
138.83290	0.3
146.02377	1.2
153.81175	0.2
158.02321	0.3
160.00369	0.3
170.02284	0.4
172.00270	0.3
174.01819	0.9
178.01326	0.6
186.01782	0.7
192.02846	0.3
198.01952	0.4
199.99776	0.7
202.01384	3.2
214.01396	2.6
215.02127	0.2
218.00835	1.0
226.01303	1.1
227.99281	3.0
230.00853	0.4
232.02379	2.1
242.00824	2.8
242.27882	0.3
243.01535	0.7
254.00771	0.7
255.98764	3.8
260.01913	1.5
270.00345	3.1
271.00839	0.4
273.99829	3.9
288.01349	1.4
292.00897	3.4
297.99808	100.0
299.00122	2.6
301.27823	0.2
306.44601	0.3
316.00867	23.0
317.01450	0.3
334.01987	2.0
353.58374	0.3
360.05005	1.5
361.06302	0.3
402.06085	36.5
403.06308	1.7
420.07095	6.2
421.07748	0.5
475.19421	0.3
506.12363	23.8
507.12695	1.6
513.05902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34805	1.3
68.99475	1.4
91.05508	1.2
92.01375	1.8
104.01338	2.3
113.31934	1.3
157.37447	1.2
164.51862	1.1
172.00288	3.8
174.01901	1.9
178.01317	1.3
186.01912	2.0
190.01424	1.9
199.99829	3.0
202.01372	3.9
204.02943	2.1
214.01320	7.6
218.00822	12.3
226.01259	1.4
227.99316	5.0
232.02379	17.3
242.00833	12.2
254.01028	1.4
255.98811	5.0
260.01913	9.3
270.00360	7.9
273.99844	22.9
288.01355	7.6
292.00864	49.0
297.99799	40.2
298.03082	2.4
316.00864	83.2
317.01172	2.6
334.01917	93.1
335.02240	3.5
402.06122	15.9
420.07135	100.0
421.07382	7.1
506.12323	62.4
507.12396	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	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
57.03432	8.4
61.02937	3.2
69.03429	57.3
69.65314	9.2
73.02917	4.4
77.04703	2.6
81.03421	18.3
83.04977	5.1
85.02898	69.6
86.03202	2.8
87.00824	27.6
87.04456	14.0
91.05478	100.0
97.02888	55.9
97.03489	4.4
99.04453	9.3
105.01860	41.4
105.02536	3.2
105.07027	3.2
107.04942	2.7
109.02871	17.1
115.03926	28.2
127.03909	43.6
133.04948	14.0
139.03911	3.3
145.04945	19.8
150.07570	15.8
151.03928	3.6
159.02910	6.0
166.21584	2.9
171.08051	4.2
177.03960	3.1
177.05463	5.2
189.03920	4.6
195.06540	3.5
199.07542	2.7
213.04016	3.6
215.05560	3.1
217.08679	3.6
223.05858	2.8
231.04991	17.4
241.07127	6.9
249.06200	3.5
273.06253	3.0
321.09680	3.4
327.07233	8.3
345.07974	14.7
506.13089	3.7
507.13324	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	506.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
54.97215	1.3
55.01868	4.9
55.05505	2.2
57.03436	12.9
59.04991	1.9
60.04525	2.9
61.02911	3.9
65.03925	2.3
68.99776	1.9
69.03425	60.4
70.06586	2.1
71.04985	2.7
73.02908	4.9
81.03418	19.0
81.07072	1.5
82.27346	1.5
83.04982	6.3
85.02901	63.9
87.00829	25.0
87.04461	17.9
91.05475	100.0
95.04984	3.2
96.75951	1.3
97.02258	3.0
97.02888	61.4
99.04470	9.8
103.03930	2.5
105.01154	1.8
105.01863	37.3
105.03369	8.7
105.07043	4.1
107.04926	2.7
107.08613	1.5
109.02874	23.9
111.04401	3.7
115.03921	20.3
119.04899	2.1
123.04434	2.0
127.03904	43.2
129.01834	1.9
129.06996	2.0
131.04926	2.1
133.04967	15.1
139.03896	5.2
143.03374	2.4
145.04959	18.8
145.06160	1.8
147.04376	1.7
147.07939	1.8
149.06013	3.1
150.07608	15.1
151.03862	3.3
157.06474	2.7
159.02881	8.1
159.04169	1.7
171.08105	2.1
175.07501	2.3
177.05475	6.7
181.06448	1.7
183.02939	1.7
184.05345	1.3
189.01924	1.6
189.03915	3.5
195.02870	1.9
195.06531	3.7
199.07603	3.6
200.25838	1.6
203.03592	1.7
205.05003	4.0
207.02910	2.4
211.03908	1.5
213.03879	1.7
215.05418	1.5
217.08588	3.1
223.05928	2.5
229.05103	1.9
230.97508	1.4
231.04977	11.7
233.56270	1.3
241.07054	5.0
245.04710	1.7
249.06085	5.5
255.02893	4.8
267.06558	2.0
278.05716	2.9
279.06519	14.5
281.04401	2.1
291.06473	9.3
292.07196	1.9
293.07925	1.8
295.06046	2.1
301.08859	2.8
303.06259	2.0
305.08096	5.8
307.06073	2.2
315.00333	1.5
315.05099	3.9
317.07938	3.5
319.09659	6.2
320.06699	1.7
321.07059	1.5
327.07007	6.0
329.08063	4.0
330.08716	1.7
331.06009	1.5
331.09634	5.2
333.07605	5.9
334.88821	1.5
341.08047	2.0
345.07486	16.8
347.09009	1.9
355.09808	2.4
357.07391	11.7
357.11203	1.5
358.63214	1.5
359.09009	2.5
363.08881	4.5
369.07526	8.3
373.06729	2.5
373.10846	3.5
375.08578	11.6
383.09216	4.4
387.08588	8.4
393.09592	2.7
397.10867	3.7
405.09610	1.8
411.08673	11.5
417.09735	3.2
429.09515	9.8
441.09662	5.8
453.09659	4.9
459.10492	2.2
462.69461	1.6
471.10730	9.5
489.11856	18.4
507.12924	42.0
520.12091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.5
55.01871	4.7
55.05505	24.8
56.86444	0.8
57.03427	1.2
61.02911	1.3
67.05483	3.1
68.99770	1.2
69.03421	8.8
69.89962	1.8
69.90317	1.5
71.04980	2.2
72.29803	0.7
73.02889	1.7
79.05497	3.3
81.03414	8.7
81.05099	0.7
81.07050	13.5
83.08610	28.4
85.02404	1.2
85.02899	20.7
87.00815	9.9
87.04443	2.3
89.06020	1.0
91.05470	1.0
93.07014	1.9
94.51646	0.7
95.04949	0.8
95.08590	14.5
97.02894	8.0
97.06520	48.0
99.04448	3.0
99.08075	1.1
105.01842	5.3
105.07017	1.2
109.02865	6.1
111.08080	2.5
117.01888	1.3
119.08591	0.9
122.69909	0.7
123.08060	15.8
124.03963	0.8
127.03902	11.5
129.01797	0.9
141.09087	100.0
142.09433	2.0
145.04938	4.3
153.03122	0.8
159.02859	3.6
159.10155	33.2
183.10117	0.8
223.16942	1.1
231.04837	1.1
241.18011	8.6
346.90335	0.8
414.26801	1.0
507.14127	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88478	0.9
53.03948	1.3
57.03433	1.1
65.57664	1.1
68.99792	2.6
69.03433	3.0
69.09822	1.0
69.25199	5.6
70.06586	4.1
70.59414	0.8
72.08125	1.1
73.06541	1.5
81.03410	4.2
84.04476	1.2
85.02888	7.0
86.09715	2.7
87.04469	2.4
89.06026	100.0
91.52090	1.0
97.02898	2.0
98.22713	2.1
107.07069	2.4
109.02872	3.1
111.00816	4.8
117.04971	1.0
120.08100	2.2
121.02928	0.9
127.03905	3.4
130.04958	1.2
133.08592	55.5
134.08955	1.3
147.04350	2.5
159.09270	1.2
162.92557	0.9
163.03871	1.4
175.03954	1.5
176.14462	1.0
177.11197	19.8
183.04335	1.7
187.05988	1.7
189.01491	1.0
199.03978	1.5
201.05336	1.4
217.04976	1.2
219.02853	7.9
221.13882	3.6
229.04910	4.6
239.14893	2.5
244.12827	1.3
257.04385	3.2
267.02902	1.6
269.90509	0.9
283.17426	3.7
285.03998	1.7
303.04962	35.9
303.08524	2.0
327.20096	67.9
328.20535	2.7
333.07825	1.0
334.08218	1.7
335.09689	1.2
506.22745	5.9
507.10986	1.8
507.19843	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78291	3.5
55.05510	23.7
56.05040	21.5
57.07068	4.2
66.21442	3.4
67.05508	50.6
69.03410	4.5
69.07062	20.7
71.08627	84.6
71.42899	5.3
73.02887	3.6
79.05489	39.1
81.03416	4.8
81.07047	51.9
83.04960	8.8
83.08606	21.5
85.02895	17.7
91.05476	35.7
93.07036	43.3
95.01326	15.4
95.04980	8.9
95.08606	43.7
97.02867	7.3
97.06541	9.2
97.10194	20.7
99.08092	85.8
101.45443	3.9
105.07013	21.9
107.08564	18.2
109.06518	4.9
109.10163	14.0
111.08100	7.3
113.02335	6.9
113.09615	6.3
117.06986	5.2
117.09142	6.4
119.08591	20.3
121.10122	12.7
124.03946	12.3
124.98444	4.5
125.09603	13.9
127.85284	3.7
131.08534	5.7
133.10104	25.4
135.11652	10.6
137.13422	3.8
138.05548	4.0
140.14384	7.0
141.01808	28.8
145.10117	10.3
147.11673	5.1
151.11179	58.6
157.10136	4.1
159.02861	12.5
161.13226	30.1
163.11197	20.4
173.11745	13.0
173.13095	3.8
179.14323	37.9
185.13292	4.4
189.11263	21.9
189.12688	4.4
194.15404	13.2
212.16464	79.1
223.76749	3.8
231.21065	3.7
241.19493	6.7
259.20590	15.6
275.11353	7.2
277.21616	100.0
278.21887	4.9
294.24268	7.8
295.22690	29.0
312.25397	22.0
312.28729	3.4
465.79639	3.7
506.18903	11.9
506.30276	5.9
507.21567	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	506.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99750	13.4
55.05507	25.9
57.07076	21.9
59.60895	12.8
67.05501	47.6
68.14056	14.7
69.07064	26.8
71.08627	20.9
79.05469	37.2
81.03419	51.4
81.07063	92.2
83.08620	46.0
91.05468	36.5
93.07047	68.1
95.04980	24.8
95.08607	100.0
98.71631	12.9
105.07014	87.3
107.08590	79.1
109.10154	64.9
119.08571	54.7
121.10137	47.9
123.11726	20.9
131.08528	20.9
133.10106	34.9
135.11687	43.2
145.10139	33.9
147.11659	47.7
149.13295	20.2
157.10126	21.1
159.11710	30.0
161.13234	19.1
173.13318	21.1
187.14778	23.8
191.25343	12.8
193.12300	22.3
295.87231	13.3
468.10098	13.7
506.39020	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	506.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08376	1.1
55.05507	15.0
57.07069	13.1
66.44760	1.1
67.05499	20.2
69.07061	25.2
69.54095	2.9
71.08607	6.9
73.06541	1.4
79.05486	8.1
81.03408	3.6
81.07053	29.6
83.04962	3.1
83.08617	17.0
85.06527	1.8
85.10183	3.6
87.04475	1.9
89.06024	60.5
90.06342	1.7
91.05460	13.2
93.07047	11.1
95.04953	1.6
95.08598	25.8
97.06535	5.0
97.10167	14.5
98.22678	2.2
105.07026	10.0
107.07074	4.0
107.08583	7.8
109.10142	12.9
111.08051	3.1
111.11725	3.3
119.08590	8.5
121.10157	7.9
123.11697	5.7
125.09643	1.9
125.13243	2.6
133.07599	1.5
133.08600	27.2
133.10097	11.1
135.11659	5.9
137.09586	2.5
137.13240	1.9
139.11119	1.5
143.10687	1.4
145.71919	1.1
147.11673	6.5
149.13225	4.1
151.09660	3.4
151.11180	4.0
151.14799	2.0
153.12714	2.9
161.13248	5.7
163.14836	3.4
165.12692	2.8
165.16354	1.6
167.14345	2.1
175.14798	3.7
176.62379	1.0
177.11203	6.3
179.14304	2.6
179.17953	2.2
181.15881	1.4
182.74911	1.0
188.19112	1.4
189.16322	1.8
193.12317	1.2
193.15877	1.4
195.12267	100.0
196.12593	1.4
199.16968	1.6
207.17479	2.0
215.61412	1.2
219.21094	1.1
221.22604	1.5
239.14815	2.2
242.47812	1.0
242.75694	1.2
245.22652	19.7
257.24701	1.9
263.23703	26.0
295.26248	7.1
339.19809	1.8
407.33896	5.9
409.34250	5.1
506.20523	1.4
506.39111	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
62.56894	0.2
68.99781	0.5
69.03402	0.7
69.38992	0.8
72.08140	0.7
73.02884	0.3
81.03387	0.8
85.02888	0.8
86.09689	0.7
89.06027	0.3
91.05465	0.3
93.59501	0.2
95.01321	0.4
99.00802	0.3
107.08630	0.3
109.02863	0.4
112.01584	0.2
117.03404	0.4
120.08084	1.5
123.00786	1.3
123.93546	0.2
127.03910	0.4
131.36824	0.2
135.04399	0.8
137.02321	0.5
137.05995	0.3
139.01532	0.5
140.01057	0.6
143.11809	0.2
144.90355	0.2
148.05164	0.8
149.05956	0.9
151.03900	1.6
168.00531	5.7
169.01338	1.6
177.05545	0.4
182.95287	0.2
183.04436	0.3
186.01585	3.1
199.04039	0.3
207.06488	0.5
242.72229	0.2
245.04509	2.2
255.02885	0.2
257.04449	0.3
270.05173	0.2
273.03934	5.9
285.03903	0.7
287.05484	0.4
288.06250	0.8
301.03421	9.0
302.04044	0.3
303.04968	28.4
304.05368	0.5
313.07083	0.3
313.61575	0.2
315.05048	0.6
315.61865	0.3
316.05750	62.1
317.06073	2.3
331.08087	100.0
332.08456	3.3
507.11368	1.2
507.18048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1132
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
57.03419	0.3
60.57858	0.3
61.71782	0.4
65.59352	0.3
70.54569	0.8
71.01353	0.7
73.02900	1.0
83.01377	0.4
85.02902	1.5
98.23434	0.3
101.02366	0.6
113.02346	1.1
131.03334	0.4
134.03612	1.4
135.04373	0.6
136.01530	0.7
136.05354	0.4
137.02332	0.7
152.01045	0.9
153.01855	0.9
154.02579	0.9
158.82956	0.4
161.02306	0.5
170.02118	0.4
178.02681	0.4
181.01320	1.1
182.02071	1.2
189.98300	0.4
197.04437	6.2
242.05664	0.7
252.04320	0.4
256.00989	0.4
269.04413	1.8
270.05225	11.2
271.05707	0.7
273.03958	0.5
285.03891	0.4
287.05499	6.0
297.03873	1.5
298.04666	6.3
299.05331	1.8
309.03879	0.6
315.04965	5.7
316.05728	10.3
317.06308	0.4
331.08078	100.0
332.08368	3.9
341.06516	1.1
500.14478	0.4
507.11130	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	507.1133
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
69.34730	1.3
69.35138	0.9
72.80521	0.4
73.02899	0.3
77.73184	0.4
91.05482	0.7
97.02887	3.1
119.04915	2.5
121.02882	2.3
122.81241	0.4
133.25185	0.4
137.05965	0.7
154.99757	1.0
163.03922	0.7
182.99197	2.4
193.04913	0.4
198.01674	0.6
201.00336	3.7
207.06561	1.5
213.03860	0.7
214.06244	1.9
220.05995	0.6
242.05736	0.6
245.04326	0.5
270.05139	1.6
270.85498	0.4
273.03934	4.7
286.04767	0.5
298.04718	11.2
298.07983	0.8
299.05103	0.8
301.03409	51.6
302.03799	1.3
303.05051	0.9
313.03177	0.4
316.05743	15.0
331.08102	100.0
332.08450	3.6
369.50943	0.4
419.10117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1133
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
53.38655	0.2
55.01856	0.2
57.03439	0.3
68.99796	0.3
70.06577	0.2
71.01351	1.2
71.26709	0.3
73.02918	1.1
83.35973	0.2
83.99101	0.2
85.02903	1.6
85.73302	0.1
95.85423	0.2
99.00779	0.2
101.02376	0.6
103.03942	0.3
107.04942	0.6
108.02075	0.2
113.02342	0.7
120.69426	0.2
123.04510	0.2
131.03400	0.4
134.03587	1.0
135.04416	0.4
136.01549	0.5
136.05151	0.3
137.02319	0.8
147.04483	0.3
152.00996	0.9
153.01787	0.8
154.02588	0.8
154.65222	0.2
159.02905	0.2
161.02327	0.4
164.01022	0.3
170.02115	0.7
177.74780	0.2
178.02585	0.7
181.01317	1.0
182.02129	0.9
183.02771	0.3
196.05164	0.2
197.04443	6.3
197.06212	0.4
198.01663	0.5
198.04790	0.3
200.03160	0.4
213.05400	0.2
214.06271	0.2
241.05017	0.4
242.05688	0.8
252.04216	0.4
258.05212	0.2
269.04425	2.6
270.05225	11.5
271.05612	0.4
273.04004	0.6
279.13803	0.2
285.03864	1.1
286.04666	0.5
287.05472	6.3
288.05728	0.2
297.03973	1.5
298.04666	5.8
299.05441	1.4
300.06277	0.3
301.03418	0.4
302.04074	0.3
309.03815	0.3
315.04959	5.9
316.05731	10.7
317.06091	0.4
325.03476	0.3
331.08081	100.0
332.08423	3.5
341.06396	0.9
355.08151	0.2
397.09286	0.2
507.11279	2.9
507.18726	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	507.1133
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
54.76123	0.2
57.03428	0.2
58.95538	0.1
61.55185	0.2
63.18879	0.1
71.01347	0.3
73.02914	0.7
85.02895	1.1
97.02892	0.2
99.42040	0.1
101.02369	0.2
107.04932	0.2
113.02332	0.5
127.82279	0.1
134.03647	0.6
135.04379	0.2
136.01540	0.3
137.02332	0.6
141.01862	0.2
152.01015	0.4
153.01813	0.5
154.02611	0.2
159.37558	0.1
165.01830	0.3
170.02214	0.2
175.36064	0.2
181.01303	0.9
182.02039	0.4
184.03632	0.2
196.05319	0.2
197.04446	1.6
198.46764	0.2
213.05495	0.3
214.06163	0.3
242.05731	0.7
258.05161	0.2
269.04535	0.4
270.05206	19.0
271.05551	0.8
273.04050	0.7
285.03992	0.2
286.04678	0.4
287.02332	0.3
287.05493	4.7
288.05914	0.2
297.03989	0.4
298.04697	19.7
299.05334	1.6
300.06052	0.2
301.03403	0.8
309.03482	0.2
315.04944	5.2
316.05750	10.1
317.06216	0.3
331.08081	100.0
332.08398	4.0
341.06558	0.4
345.09683	0.2
345.33310	0.1
507.11316	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	507.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75462	0.5
60.13476	0.5
66.81277	0.5
69.74082	1.7
71.65273	0.5
87.27193	0.5
91.05488	1.2
98.22704	0.6
103.04178	0.6
107.03708	0.7
131.03687	1.7
135.03226	0.6
151.02657	0.9
159.03157	5.6
163.02673	0.8
174.01881	1.1
187.02625	8.3
191.02251	0.5
201.00403	0.6
202.01427	1.7
214.01414	0.6
215.02107	27.5
217.03870	0.5
219.01366	0.5
227.99249	1.0
233.03262	2.2
242.00861	0.7
243.01596	59.7
244.02040	1.8
258.00320	8.1
261.02679	21.6
271.01096	27.1
272.01871	4.4
273.99875	0.8
276.01364	9.9
284.01956	1.3
285.99780	4.2
289.02130	8.3
294.61145	0.5
297.99866	15.4
298.03455	2.2
299.00397	29.6
300.00931	1.3
301.80396	0.5
304.00861	1.2
304.06036	1.9
305.06897	1.0
316.00766	2.4
317.01535	9.1
318.02151	0.6
319.08490	1.2
332.05588	1.0
333.06256	0.8
335.02802	0.6
346.07181	0.9
347.07846	1.6
361.05872	0.9
374.06543	1.1
375.07352	15.0
376.07947	1.1
390.06207	3.1
402.05853	2.8
403.06708	40.7
404.07419	2.7
420.07074	0.6
421.07791	5.7
447.33618	0.5
507.13068	100.0
508.13513	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75462	0.5
60.13476	0.5
66.81277	0.5
69.74082	1.7
71.65273	0.5
87.27193	0.5
91.05488	1.2
98.22704	0.6
103.04178	0.6
107.03708	0.7
131.03687	1.7
135.03226	0.6
151.02657	0.9
159.03157	5.6
163.02673	0.8
174.01881	1.1
187.02625	8.3
191.02251	0.5
201.00403	0.6
202.01427	1.7
214.01414	0.6
215.02107	27.5
217.03870	0.5
219.01366	0.5
227.99249	1.0
233.03262	2.2
242.00861	0.7
243.01596	59.7
244.02040	1.8
258.00320	8.1
261.02679	21.6
271.01096	27.1
272.01871	4.4
273.99875	0.8
276.01364	9.9
284.01956	1.3
285.99780	4.2
289.02130	8.3
294.61145	0.5
297.99866	15.4
298.03455	2.2
299.00397	29.6
300.00931	1.3
301.80396	0.5
304.00861	1.2
304.06036	1.9
305.06897	1.0
316.00766	2.4
317.01535	9.1
318.02151	0.6
319.08490	1.2
332.05588	1.0
333.06256	0.8
335.02802	0.6
346.07181	0.9
347.07846	1.6
361.05872	0.9
374.06543	1.1
375.07352	15.0
376.07947	1.1
390.06207	3.1
402.05853	2.8
403.06708	40.7
404.07419	2.7
420.07074	0.6
421.07791	5.7
447.33618	0.5
507.13068	100.0
508.13513	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19817	1.2
69.20219	3.3
76.73838	0.7
107.78432	0.7
130.09727	0.7
131.03676	1.4
131.04955	0.8
147.03188	1.0
150.79404	0.7
159.03172	2.0
175.02684	2.2
183.06119	0.7
187.02647	3.9
195.00381	0.7
213.98106	0.8
215.02127	9.9
218.00940	1.3
227.02119	1.0
233.02971	1.6
243.01620	15.5
244.02455	3.3
261.02664	9.0
270.00424	1.6
270.04037	1.9
271.01065	11.5
272.01999	1.1
273.99921	1.4
276.06720	0.8
284.02039	1.0
285.99854	5.4
288.01431	1.0
289.02097	5.3
290.08136	2.6
292.00879	1.7
293.01138	1.8
297.99878	4.2
298.03516	10.2
299.00479	17.9
300.01355	9.1
302.08179	1.5
304.00922	1.8
304.06042	1.5
305.06772	0.8
312.01297	4.8
316.00827	8.6
317.01355	16.9
318.07623	2.1
326.02957	11.2
332.05469	1.2
333.06030	0.8
334.02051	3.2
335.02423	2.9
346.07144	3.2
347.07669	1.9
358.07074	36.3
359.07260	1.3
374.06580	4.7
375.07324	17.8
376.07739	1.2
390.05984	3.3
402.06100	2.3
403.06735	26.5
404.07489	4.0
420.07205	2.9
421.07733	12.5
422.08694	3.9
430.09171	10.5
507.13086	100.0
508.13669	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.15
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
57.03421	0.4
62.72041	0.3
69.03427	1.1
70.26506	0.8
72.76460	0.3
74.69119	0.3
81.03439	0.3
85.02913	2.3
97.02896	0.9
107.04965	0.6
127.03912	0.6
135.04425	1.0
136.01543	0.4
137.02307	0.3
137.05984	1.1
146.92036	0.4
148.05186	0.5
150.06769	1.9
153.01886	0.4
169.01329	5.3
181.01353	1.4
241.05037	0.6
258.05322	0.4
259.06061	0.6
269.04440	0.9
284.06799	1.8
286.04712	3.1
287.05560	1.6
300.06250	1.4
301.07074	8.8
302.07666	2.1
303.04984	18.4
304.05371	0.5
312.06290	0.8
313.07077	2.4
314.04065	1.6
315.04861	1.6
329.06558	14.0
330.07330	23.0
331.07974	1.5
345.09686	100.0
346.09979	2.6
382.30637	0.4
453.40686	0.4
507.11206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1497
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
50.51608	0.2
51.93152	0.2
67.05496	0.2
84.08089	0.2
85.02884	0.2
86.09668	0.3
91.05447	0.2
93.06994	0.2
108.02080	2.2
112.67332	0.2
121.02788	0.2
133.02815	0.3
136.01530	1.2
148.05171	5.3
149.05981	2.5
151.03902	1.9
154.02594	1.5
163.63641	0.2
168.05592	0.2
185.05971	0.8
196.05177	0.2
197.06096	0.2
197.20181	0.2
203.05147	0.2
213.05406	0.9
217.05199	0.2
227.07056	0.4
228.07835	0.2
241.04999	1.1
256.07242	2.2
259.05923	0.2
269.04456	3.7
284.06766	24.9
285.04132	0.3
285.07104	0.8
286.04724	0.5
287.05533	1.3
297.03922	2.1
300.06219	0.5
301.07022	0.8
302.07767	0.7
303.05096	0.2
312.06247	20.7
313.06772	0.8
314.04276	0.2
315.04892	1.5
326.60397	0.2
327.08911	0.2
329.06616	1.4
330.07309	15.1
331.07562	0.5
345.09650	100.0
346.09930	3.3
353.54489	0.2
507.14520	1.7
507.31335	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	507.15
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
55.43515	0.3
65.00978	0.3
69.36408	0.6
69.36806	1.2
79.05371	0.3
81.34665	0.3
85.02888	0.3
93.07011	0.4
95.08541	0.3
97.90015	0.3
98.23468	0.7
108.02097	2.2
128.74416	0.3
136.01535	1.7
137.05945	0.7
148.05180	4.5
149.05959	2.5
151.03912	1.9
154.02557	1.4
167.58170	0.3
177.05496	0.4
185.05959	1.5
213.05414	0.8
227.06905	0.6
241.04906	1.2
256.07370	2.5
259.06110	0.4
269.04440	5.9
284.06769	30.8
285.04004	0.4
285.07129	0.8
287.05533	1.7
289.05176	1.0
291.16055	0.4
297.03946	2.3
300.06232	0.5
301.07269	0.5
302.07700	0.5
312.06241	25.9
313.06525	1.0
315.04846	1.9
329.06494	1.7
330.07300	22.5
331.07742	0.7
333.10764	0.4
345.09656	100.0
346.09933	3.7
365.13605	0.6
377.87396	0.3
383.14929	0.9
489.20361	0.5
507.14938	51.8
507.21234	1.9
508.15289	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	507.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14680	1.2
68.00504	1.1
69.01096	1.2
69.03419	2.1
70.89697	1.3
85.02907	3.4
89.03899	9.5
91.05489	1.3
97.02906	2.4
103.05517	1.7
114.11074	1.2
117.03371	22.6
131.04906	2.2
134.03627	1.8
135.04407	1.9
137.05963	2.0
138.48769	1.2
145.02838	54.0
149.05954	9.6
150.06790	1.8
151.07271	1.3
157.06331	1.6
165.09148	1.8
169.01241	1.6
175.07513	1.9
177.05453	100.0
178.05817	3.0
179.07016	3.3
181.08769	1.5
193.08554	2.5
217.08530	2.4
259.09769	2.7
277.10666	2.8
303.04984	1.5
305.06854	1.4
316.05875	1.9
329.06317	2.5
330.07199	3.9
331.08020	12.7
339.10690	4.3
345.09634	17.1
352.13690	1.2
407.53610	1.4
416.85229	1.2
429.36890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19920	0.6
61.18251	0.6
71.42656	0.6
81.03424	2.7
81.03802	0.6
85.02879	2.5
89.03899	10.2
91.05476	3.6
94.20272	0.6
95.04938	0.6
97.02885	1.4
103.05447	1.5
105.07031	3.2
109.02838	0.7
117.03365	24.6
119.04876	0.7
121.06479	0.8
127.03941	0.9
129.07008	1.1
129.24020	0.5
130.82904	0.5
131.04921	1.4
133.06396	0.7
134.03607	2.6
135.04375	2.2
137.05920	1.8
143.04988	0.7
145.02824	55.8
149.05956	9.7
151.07590	3.0
157.06281	0.7
163.03923	0.6
163.07481	0.8
165.09077	2.0
169.01321	1.3
175.07520	1.6
177.05441	100.0
178.05779	2.0
179.06990	2.8
185.06026	0.7
186.05502	0.7
189.09116	0.7
193.08606	2.0
195.06517	1.2
197.04428	0.6
203.07060	0.7
217.08591	1.4
231.10056	1.0
235.09634	1.0
237.69804	0.6
241.08543	1.0
247.09520	0.6
259.09631	6.1
277.01031	0.6
277.10684	2.9
299.05399	3.4
303.04901	1.7
315.04849	1.1
316.05646	0.8
321.09592	1.8
329.10190	4.7
331.08017	5.7
339.10559	2.8
344.65332	0.6
345.16714	1.1
437.48047	0.6
507.14224	0.8
507.21390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.186
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	2.7
69.85877	1.4
81.03415	2.5
85.02899	3.3
86.15788	0.7
89.03922	7.5
91.05480	1.6
97.02861	1.4
98.23380	1.1
103.05452	1.2
106.04180	1.1
109.02834	0.8
117.02566	1.6
117.03369	23.8
119.04915	1.1
126.83995	0.9
131.04926	2.0
134.03622	2.0
135.04410	1.6
135.09256	0.8
145.02838	54.7
146.03217	0.9
149.05978	8.5
151.07533	1.4
163.03845	0.8
165.09105	0.8
177.05457	100.0
178.05786	1.2
179.07013	1.9
181.08621	1.1
193.08614	2.2
195.06465	1.5
205.04893	1.6
205.08568	1.4
217.08513	1.7
219.06464	1.0
231.10246	0.9
233.08083	4.7
235.09575	1.2
245.08228	1.1
259.09705	2.7
277.10672	1.3
277.22891	0.7
279.08459	0.8
299.05319	0.8
321.09595	2.1
327.15961	3.9
331.08072	3.2
332.39362	0.8
339.10657	2.4
345.17169	0.9
507.22314	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	507.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38586	1.6
63.92718	1.6
70.10669	1.7
70.43086	1.7
89.03938	9.9
91.05466	3.6
95.59852	2.2
96.37222	1.5
107.24559	1.9
117.03381	26.5
122.00349	1.5
126.09557	1.8
131.04907	3.0
145.01703	3.2
145.02844	63.3
149.05980	7.6
161.06149	2.1
165.09068	2.1
169.02771	1.8
177.05472	100.0
178.05830	2.8
237.98323	1.8
259.09619	2.2
277.10681	2.0
299.05484	2.8
329.10129	3.1
331.08060	5.4
362.39880	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	507.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29246	0.5
53.03935	1.0
55.01871	1.8
55.05498	3.2
57.33613	0.6
58.99574	2.5
65.03939	1.0
67.04263	0.6
67.05492	3.9
69.03429	11.4
69.16906	1.3
69.17304	2.3
71.61698	0.5
71.83002	0.6
73.01119	0.7
74.00673	1.4
74.31519	0.6
76.02227	1.0
76.03999	1.6
79.05495	3.4
79.49677	0.7
80.05003	0.8
81.03417	13.0
81.07061	3.7
82.06556	1.4
83.04973	7.1
86.00657	1.0
86.99094	0.6
88.02219	3.6
91.05470	4.9
93.07034	5.1
94.06546	0.7
95.04958	5.2
95.08607	2.6
97.01103	1.1
97.02872	0.8
97.06472	0.7
97.69927	0.6
98.00671	0.7
100.02200	8.7
102.03765	3.6
103.05445	1.0
105.07018	6.9
107.04950	2.1
107.08585	4.3
109.02843	1.4
109.06515	2.5
109.10139	1.1
111.04430	7.1
112.02187	4.9
112.03924	0.6
113.03019	0.7
113.04219	1.0
113.05997	1.4
114.03748	12.1
115.05429	0.8
116.01660	3.9
117.06985	3.8
119.08584	6.0
121.06488	2.2
121.10155	1.5
123.04471	0.6
123.08068	0.9
125.07101	0.6
126.03736	5.1
127.48917	0.6
128.01607	0.7
128.06229	2.4
129.07001	3.1
130.04944	1.4
130.07794	1.3
131.04887	1.0
131.08546	5.5
133.06509	1.5
133.10124	5.2
135.08090	0.8
135.11682	0.7
138.03719	2.0
140.05295	7.0
141.07018	1.6
142.07753	3.1
143.02750	1.3
143.08559	5.6
144.01154	1.0
144.09378	1.6
145.06508	3.9
145.10109	9.5
147.02634	0.7
147.08072	2.3
147.11659	1.1
149.09648	0.7
150.03720	2.0
152.05270	1.4
153.06989	1.3
154.07814	0.8
155.08517	3.8
156.09344	2.0
157.06544	0.7
157.10120	8.5
158.07257	1.8
159.08058	3.9
159.11691	5.8
161.04117	0.8
161.09599	5.1
161.36710	0.6
162.02263	1.3
163.11177	8.8
165.07016	1.3
166.07790	0.7
167.08537	3.6
168.09340	2.6
169.04413	0.7
169.06197	1.2
169.10103	4.5
171.08073	1.4
171.11687	3.0
173.09596	4.1
174.10396	0.9
175.11153	1.6
176.05302	0.7
179.08635	3.0
181.10094	3.1
183.08072	0.8
183.11723	5.8
184.11195	0.8
185.09651	1.9
185.13242	2.9
186.05083	1.0
187.11156	6.5
188.05289	0.6
188.11919	0.7
189.03252	1.1
193.10156	1.8
194.10942	1.9
195.07889	1.0
195.11742	1.2
195.13359	0.7
197.09625	0.8
197.13333	1.1
199.11212	1.9
200.14401	1.1
201.09109	0.7
201.12784	1.1
202.06880	1.2
203.04883	4.1
207.11777	1.0
209.13258	2.1
211.11194	2.5
213.12759	0.8
215.04898	1.5
215.08894	2.7
217.06383	7.9
217.10378	0.9
219.11575	0.6
227.14333	1.5
229.06548	1.7
229.12224	1.4
232.11456	0.8
237.12830	1.0
241.06479	1.2
242.07195	0.9
242.09596	0.7
243.08087	1.5
244.11505	0.8
255.13794	4.8
256.14114	0.7
258.13162	4.6
260.14624	1.2
273.14828	25.0
274.12454	0.7
274.15268	0.9
276.14215	1.4
310.17838	0.6
342.15414	0.9
345.12701	0.7
347.14377	1.6
350.16016	0.8
359.14215	0.9
360.16119	0.9
361.15753	8.3
363.17322	0.7
368.16959	3.2
379.16888	8.5
386.18027	4.4
443.20020	0.8
453.18600	1.8
471.19485	29.6
472.19928	1.3
489.20514	100.0
490.20596	6.2
507.21628	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	507.2202
Annotation	Repandin D
Peak:m/z	Relative Intensity
54.00513	1.2
69.03447	1.9
69.07063	1.5
69.14090	7.1
73.02923	3.7
79.05499	1.1
80.05530	1.5
81.07080	2.3
87.04475	2.1
89.06036	5.8
91.05499	2.4
93.07069	2.4
95.08626	4.0
105.07076	2.1
106.89333	1.1
107.08630	2.8
109.10160	1.5
118.06628	1.2
119.04993	1.3
119.08586	1.6
128.24338	1.2
131.33441	1.0
133.08597	2.7
148.05254	1.5
149.06023	1.5
159.11713	2.2
163.11266	1.6
177.11201	1.3
203.05263	1.5
217.04851	1.3
229.62898	1.2
245.06392	4.5
259.09692	3.2
284.06952	3.6
287.03702	2.2
289.05280	43.0
312.06400	3.4
330.07300	2.9
345.09714	20.4
388.72440	1.1
421.21817	2.8
429.17117	1.7
445.21872	8.8
463.23035	13.2
489.20898	43.8
507.22049	100.0
508.22299	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	507.2204
Annotation	Repandin D
Peak:m/z	Relative Intensity
53.42876	0.7
58.92258	0.6
69.03432	3.4
69.07056	0.9
71.41722	0.7
73.02922	1.2
79.05494	1.4
81.07061	1.5
83.08655	0.8
89.06042	2.9
91.05475	0.9
92.17448	0.7
93.07035	1.2
97.06545	0.8
102.06770	0.7
105.01830	0.6
105.07027	1.3
113.06001	1.8
117.06987	1.0
119.08619	0.7
121.02836	0.8
126.01075	1.6
127.01540	0.7
133.08635	0.9
143.08559	0.7
145.10159	0.8
153.03172	1.0
169.23811	0.6
183.11783	0.7
205.98192	0.7
219.34966	0.6
222.13963	0.7
243.04916	0.9
245.06392	1.8
259.16830	2.9
271.13373	0.7
287.03830	1.4
289.05307	9.6
289.07999	0.9
315.15659	2.1
345.09726	1.5
355.19183	1.0
385.14505	1.3
401.17719	2.2
421.22067	2.9
429.16949	12.1
445.22064	1.8
447.18253	5.8
463.22986	31.6
464.23367	1.1
489.20892	4.4
490.20554	0.9
507.21698	100.0
508.22073	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	507.2278
Annotation	Asperphenamate
Peak:m/z	Relative Intensity
51.02375	0.7
53.03934	1.7
55.05492	0.5
65.26726	0.3
67.05492	1.1
69.97881	0.4
70.71529	0.6
73.06534	0.8
77.03902	2.2
79.05480	4.6
91.05467	9.0
95.04961	7.4
98.98473	1.3
105.03382	100.0
105.04521	3.2
105.07029	1.2
106.03741	1.4
107.08595	0.5
109.10140	0.7
112.99995	0.7
115.05450	4.8
117.07006	46.5
118.07365	1.0
119.08591	0.6
122.06020	8.8
127.01559	0.7
133.10201	0.5
134.09651	4.5
135.11641	0.4
143.08676	0.4
145.10106	0.4
159.11682	0.4
178.95081	0.7
190.68987	0.4
219.79385	0.4
224.10672	14.9
238.12233	75.1
239.10585	1.0
239.12708	2.2
252.10184	2.7
256.13300	23.0
257.13651	0.6
266.96759	0.5
284.28049	0.4
399.04922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
57.03432	0.5
57.07066	1.9
61.10007	0.2
63.14153	0.2
67.05499	0.8
68.02417	0.3
69.37642	1.0
71.08626	1.4
73.66391	0.2
81.07040	1.1
83.01092	2.3
83.08601	0.3
85.10169	0.6
89.06038	0.5
91.05435	0.3
95.08606	1.1
97.10110	0.3
98.03434	0.3
98.79172	0.2
105.07010	0.6
107.08550	0.2
109.10168	0.6
111.04180	1.6
112.04984	0.9
113.05751	0.4
119.08600	0.4
121.10111	0.2
127.03654	2.2
139.07249	0.3
141.05251	0.4
142.05986	0.7
155.06786	2.8
156.07536	0.4
171.06290	2.5
186.08600	0.3
195.00287	9.0
199.09322	0.5
200.10185	0.4
215.08948	0.4
243.12065	1.5
259.11688	0.7
287.14465	0.3
313.27344	2.5
325.42279	0.3
328.02338	0.3
381.18893	1.4
421.21896	4.3
435.23578	0.4
507.32907	100.0
508.33124	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	508.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10750	0.4
53.86602	0.4
55.22641	0.4
68.99809	0.7
69.82180	1.3
77.03933	0.5
86.09698	1.0
91.05480	0.8
94.00513	0.4
94.25388	0.4
95.04974	0.6
100.22787	0.4
103.05466	10.1
103.06116	0.9
104.10735	1.4
105.03392	1.2
105.04474	0.6
105.11086	0.6
115.05430	0.4
125.00063	0.5
125.35384	0.4
131.04921	15.8
131.05904	1.0
133.67139	0.5
135.00815	0.6
146.02344	0.7
159.03168	1.5
160.03706	0.7
162.01939	0.6
164.03357	0.5
174.01877	1.1
176.03448	0.6
184.07353	1.7
185.07666	0.6
187.02618	2.3
188.03398	3.3
204.02931	1.0
215.02097	3.0
216.02861	7.0
217.03688	0.8
220.02431	1.0
226.01270	0.5
228.02872	1.0
230.00851	3.6
232.02211	0.6
233.03111	0.9
234.03777	0.7
236.07115	0.5
239.07330	0.5
243.01620	4.9
244.02316	13.7
245.02791	0.6
246.04028	0.5
248.01913	3.3
252.06566	2.8
254.08018	2.6
256.02295	0.7
257.03220	0.8
258.00394	2.4
259.00635	1.1
261.02560	2.0
262.03171	1.7
270.07736	0.6
271.01151	2.1
272.01859	38.2
273.02396	0.8
276.01413	2.4
285.02740	1.0
286.03491	0.5
288.06592	0.5
289.02121	3.7
290.02814	7.9
294.07639	0.5
298.03497	1.0
299.00549	3.5
299.03671	0.6
300.01239	9.4
304.00824	2.8
305.01273	2.3
306.07571	0.6
313.02191	1.5
316.00778	0.6
317.01587	5.9
318.02103	9.4
318.07953	0.6
326.02832	0.7
327.03345	0.5
334.07101	1.5
335.02734	1.4
336.03354	2.9
348.08682	0.6
358.07175	0.7
360.08792	0.5
362.06616	1.6
376.07968	3.2
378.09692	0.6
386.06638	0.7
403.06747	2.6
404.07458	19.3
405.07748	1.2
421.07626	2.4
422.08493	16.1
423.08929	0.7
431.09885	0.8
495.71826	0.5
507.32782	0.5
508.13788	100.0
509.14108	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	508.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55274	0.6
63.33846	0.7
69.22898	3.1
70.06574	0.8
72.08163	3.2
79.05459	0.7
84.08119	2.1
86.09689	1.2
87.04461	0.8
91.05462	0.9
95.04951	4.3
98.09667	0.8
107.04946	28.8
107.08537	1.0
110.09652	1.3
112.11211	1.9
117.06969	1.3
120.08115	1.9
121.02859	2.4
135.08041	51.3
145.06450	2.3
163.07527	100.0
164.07857	1.4
185.05742	5.6
210.93848	0.7
220.09688	7.1
225.14764	0.9
242.07864	2.3
244.09421	3.5
260.08917	22.4
261.09436	0.9
288.08435	1.3
289.05212	1.1
420.14349	0.9
422.14182	10.2
464.15262	64.3
465.15494	3.7
508.14209	84.3
509.14661	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	508.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02495	0.4
54.13446	0.4
61.03716	0.4
68.99774	0.5
69.03402	0.6
70.06596	0.8
71.42696	0.5
71.82821	0.5
74.71929	0.5
81.03402	0.5
84.08123	0.7
86.09697	1.9
87.34104	0.5
91.05457	0.6
93.07012	0.5
94.69832	0.5
95.04952	4.1
95.08572	0.6
99.04403	0.5
102.41951	0.4
105.06998	0.7
107.04949	29.6
107.08601	1.2
108.05260	0.4
115.05459	0.4
117.06992	1.4
120.08111	2.6
129.10197	0.7
131.08519	0.4
135.08046	53.1
136.08340	1.2
145.02827	0.5
145.06499	2.5
155.06006	0.6
163.07530	100.0
164.07889	2.5
177.05353	0.6
185.05733	6.1
186.06410	1.4
220.09702	6.9
230.76373	0.5
242.07941	3.1
243.08722	0.5
244.09425	2.5
260.08923	16.8
261.09122	0.7
262.11938	0.5
273.54269	0.6
282.29959	0.4
288.08353	1.3
289.05161	1.0
302.04324	0.4
305.80264	0.5
317.06583	1.0
339.37741	0.5
362.12198	0.7
404.13281	0.8
422.14188	12.2
464.15283	47.9
465.15482	2.6
507.31503	12.8
508.14230	89.1
508.31226	7.7
509.14471	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	508.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
63.39492	1.3
65.03939	3.1
69.30585	5.6
69.30989	2.4
78.04700	1.5
79.05492	2.2
80.06248	1.4
85.02914	1.2
91.05478	44.6
95.04958	1.4
96.78490	1.4
98.22723	2.8
103.05468	2.5
105.03410	2.2
105.07034	5.3
107.04970	3.1
118.04159	3.1
119.04935	37.9
121.02861	3.5
121.06505	3.0
122.03661	1.7
123.08029	1.7
124.05209	2.0
130.04187	2.2
131.04929	2.4
133.02852	2.2
133.06523	5.0
134.03618	1.8
135.04390	2.8
135.08029	2.3
136.05183	13.9
137.05972	12.6
147.04405	25.2
148.05196	3.3
151.07523	32.6
153.34785	1.3
161.05963	9.2
162.06735	16.6
163.03957	2.3
163.70543	1.2
164.04675	6.1
175.03996	1.5
179.07027	34.8
180.07722	1.6
193.03137	7.8
197.63878	1.2
207.06506	100.0
208.06873	3.1
209.08119	4.7
253.17464	1.2
277.08875	1.4
299.05331	2.4
300.05911	2.1
307.09558	2.0
331.08014	1.8
332.08426	2.7
337.10767	7.8
344.73080	1.2
356.11444	1.4
405.71542	1.2
407.12759	1.3
464.15454	3.9
508.14124	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	508.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
63.80756	0.9
65.03944	3.0
69.19073	6.1
72.08142	1.1
77.03921	1.4
79.05492	2.3
81.03384	1.0
91.05477	46.9
93.07050	1.2
95.04990	3.0
98.23454	1.6
101.11079	1.0
102.04736	1.1
103.05472	4.4
105.03386	2.2
105.07029	3.8
107.04948	2.9
108.05746	3.0
109.06546	2.4
118.04169	2.5
119.04933	39.1
120.08064	1.5
121.02882	1.9
121.06510	3.0
122.03654	1.8
123.08085	1.5
124.05206	1.1
130.04143	2.4
131.04921	1.9
133.02805	2.2
133.06499	5.3
134.03662	1.1
135.04402	1.9
135.08043	2.8
136.05196	12.9
137.05983	12.6
145.02838	1.4
146.03632	2.4
147.04399	22.2
148.05154	4.6
149.05931	1.2
151.07541	34.8
157.40088	1.1
160.05309	1.1
161.05943	10.2
162.03056	1.5
162.06761	16.3
164.04663	6.3
165.05518	2.0
177.05475	2.2
178.00754	1.2
179.07021	34.5
180.07611	1.3
193.03192	9.0
207.06517	100.0
208.06912	3.0
209.08063	5.1
233.08072	2.3
240.96471	1.1
307.09766	1.4
337.10663	6.7
369.13437	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	508.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01869	2.4
57.03426	1.8
61.02915	1.8
68.99773	0.7
69.03423	6.0
69.54332	2.0
71.01381	0.4
71.04990	1.5
73.02926	2.1
77.03905	0.4
81.03409	6.3
83.04968	0.4
85.02898	21.2
85.03416	1.0
87.00825	7.7
87.04456	0.6
89.06035	0.6
91.03967	0.5
91.05476	3.9
93.07045	6.6
95.04960	2.0
97.02887	9.4
99.04462	3.2
103.05457	4.0
105.01855	8.8
105.04553	0.7
105.32398	0.4
107.08590	0.6
109.02868	7.9
117.01850	1.2
117.07013	1.0
121.06495	100.0
122.06841	1.5
127.01589	0.7
127.03907	15.1
135.08049	1.0
145.04953	8.4
145.06427	3.4
153.03131	1.0
159.02895	4.9
163.07524	11.8
187.07501	3.2
213.03941	0.6
229.08473	0.6
231.04939	2.7
274.71182	0.4
333.09842	0.6
369.11874	1.5
441.82553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
55.05511	4.3
56.17429	1.1
57.07064	1.3
59.73690	1.0
65.03941	1.7
67.05503	12.3
69.03443	1.0
69.07073	3.0
69.55812	2.1
69.56168	4.7
71.04996	2.1
76.57411	1.1
79.05489	7.1
80.29357	1.2
80.48111	1.0
81.07045	9.3
82.17807	1.0
83.04980	4.8
83.08617	2.0
85.06525	1.6
86.09713	3.3
87.04481	1.6
91.05477	10.3
93.03442	1.4
93.07045	14.0
95.04985	7.0
95.08608	15.7
97.02892	1.8
97.06553	2.6
98.22678	1.1
103.05499	1.2
103.10986	1.0
104.10733	8.8
105.07034	23.0
105.27296	1.0
107.04995	1.4
107.08599	15.3
109.06508	6.8
109.10160	6.6
111.04440	25.4
111.08092	1.1
112.19685	1.1
117.07021	4.8
119.08574	19.2
120.08891	1.1
121.06528	3.6
121.10146	8.1
123.08085	2.7
123.11742	2.3
124.03955	10.8
124.99973	3.1
125.05986	2.0
128.06232	2.9
129.06973	5.5
130.07813	2.4
131.08559	9.5
133.10112	17.0
133.50337	1.2
135.08058	8.2
135.11711	3.9
137.09685	1.8
139.07536	2.2
141.06981	2.2
142.07803	4.2
143.08563	15.7
144.09291	3.0
145.10121	18.8
147.08083	2.1
147.11678	12.6
149.09622	2.9
149.13231	1.2
151.07556	2.3
155.08517	5.0
156.09360	4.3
157.10117	16.9
159.08006	1.4
159.11674	19.1
161.09648	3.0
161.13239	3.2
163.07619	1.7
163.11176	6.2
165.07069	2.3
167.08606	3.6
168.09387	1.8
169.10135	8.4
170.10938	3.6
170.37206	1.2
171.11668	16.0
173.09633	3.3
173.13255	7.0
173.14578	1.1
175.11220	1.2
175.14793	2.2
177.09125	1.8
177.12796	3.7
179.08577	2.3
180.09317	2.5
181.10187	4.6
182.10834	1.7
183.11662	7.7
184.07306	10.4
184.08699	1.2
184.12492	2.5
185.09666	2.2
185.13248	14.3
186.13870	1.9
187.11205	3.1
187.14795	11.9
189.09175	1.3
191.10684	1.4
193.10193	3.3
194.10939	2.8
195.11665	14.2
196.12440	2.2
197.09564	1.4
197.13293	8.1
199.11218	1.9
199.14807	12.0
200.15581	3.2
201.16478	3.1
203.10667	3.7
203.14296	3.1
205.15858	3.2
207.11745	4.0
208.12442	2.3
209.13214	12.0
211.14789	6.0
213.09262	1.3
213.12762	3.4
213.16266	2.2
215.10757	5.6
217.12323	1.7
217.15895	1.5
220.12479	1.8
221.11526	1.7
221.13387	1.8
222.14040	2.5
223.11307	2.1
223.14792	4.0
225.16473	2.7
227.10722	2.6
227.14325	2.1
231.13750	1.1
235.14883	2.6
237.12784	3.3
237.16290	7.1
239.17896	1.0
241.12242	4.3
241.19542	1.7
251.14389	1.7
251.17960	11.1
255.13799	7.4
255.17354	3.8
257.15381	1.5
261.16382	1.3
269.15613	1.9
269.19006	6.4
273.14844	21.2
273.17786	1.6
279.17435	10.4
287.20050	1.7
297.18472	72.7
298.18832	3.1
309.51672	1.1
315.19537	100.0
316.19949	3.5
333.20636	2.3
357.20557	3.4
375.21756	2.4
508.34198	4.1
520.94330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12334	1.0
53.66337	1.0
53.69274	1.0
55.05510	3.1
59.56449	1.0
61.91415	0.9
67.05502	5.7
69.03448	1.8
69.07067	2.0
70.71192	1.7
71.04998	3.5
79.05492	3.6
81.07059	5.9
83.04976	2.4
83.08625	1.2
85.06530	1.2
91.05475	4.8
93.07041	5.5
95.04961	3.0
95.08633	5.0
97.02919	5.6
97.06543	1.7
98.97563	4.8
99.98003	1.0
105.07028	13.0
106.07310	1.1
107.08590	5.6
107.96571	1.0
109.06506	1.2
109.10162	2.4
111.04426	2.4
113.06023	1.3
116.98653	3.0
117.07029	1.4
119.08574	19.0
121.06509	2.1
121.10151	4.0
123.08044	1.5
129.07013	1.6
131.08566	4.6
133.06561	1.0
133.10121	7.3
134.99713	1.9
135.08083	2.9
141.05492	1.8
142.07793	1.4
143.08569	2.7
145.10127	10.5
147.08057	1.6
147.11674	20.8
149.09590	1.8
155.08571	2.3
156.09320	2.8
157.10112	10.4
158.10887	1.0
159.11694	11.3
161.09624	1.4
161.13231	6.4
165.07115	1.4
167.08516	2.0
169.10143	2.6
170.10867	5.6
171.11668	13.0
173.13249	8.7
175.11270	1.9
175.14865	4.9
181.08708	1.5
181.10141	3.7
183.11725	2.5
184.12448	2.6
185.13239	11.4
186.14069	1.5
187.11220	1.7
187.14886	3.4
189.12689	1.7
189.44481	1.0
193.08543	2.7
195.10153	2.0
195.11687	8.0
196.12451	1.5
197.13306	4.9
198.14206	1.1
199.14771	10.3
203.14272	6.3
204.15144	3.0
205.15894	4.2
207.11775	2.5
208.12494	1.7
209.13229	5.5
211.14915	3.9
213.16365	2.8
220.12401	1.3
222.14085	2.9
223.14836	2.1
227.14265	1.5
227.17981	2.5
231.13777	1.1
231.17680	1.0
235.14909	2.0
237.16347	11.8
249.02739	0.9
251.17999	3.6
255.13568	1.3
262.07370	0.9
269.19052	3.2
269.66034	1.0
273.18588	1.6
279.17505	2.7
280.04965	2.1
281.05154	1.6
287.19678	1.2
297.18503	8.2
315.19528	100.0
316.19815	5.0
387.52991	1.1
508.29037	95.9
509.29626	6.0
511.47742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.2
55.38765	2.4
57.03424	2.3
58.66019	2.4
66.73666	2.2
67.05495	14.5
68.26328	2.4
69.03432	20.8
69.07069	9.3
69.18307	17.9
71.62305	2.5
79.05485	11.4
81.03415	10.4
81.07047	26.1
83.04949	13.7
83.08632	5.2
86.09696	5.2
91.05466	15.3
93.07051	18.1
95.04970	10.4
95.08595	47.7
97.06548	4.5
98.98453	3.4
105.07021	33.3
107.08586	29.1
109.06528	6.5
109.10133	16.2
111.04435	39.2
117.07009	7.7
119.08573	52.8
121.10140	26.2
123.08106	4.1
124.04001	4.5
125.00021	7.7
128.06232	3.9
129.07024	6.9
131.08560	25.5
133.09169	2.0
133.10109	56.4
135.11726	3.4
141.06970	3.7
142.07785	5.5
143.08537	14.9
144.09302	3.2
144.10458	2.5
145.06483	2.5
145.10100	45.3
147.08066	3.4
147.11679	26.4
149.13297	3.8
155.08595	6.4
156.09357	4.6
157.10110	15.1
158.10930	3.5
159.11688	36.0
161.13266	11.7
167.08589	3.8
169.10146	11.1
170.10864	4.6
171.11696	10.8
172.12523	4.5
173.13208	12.9
175.14783	4.6
177.16388	13.9
177.89485	2.7
179.08582	4.7
180.09358	3.1
181.10110	5.8
183.11685	8.7
184.07344	27.1
185.09633	3.1
185.13257	16.6
187.11189	4.9
187.14798	75.4
189.12781	4.8
189.16373	96.8
193.10123	5.0
195.11731	10.9
196.12460	3.4
197.13254	9.5
199.11325	4.3
199.14781	8.9
201.16374	11.8
202.17197	10.0
203.14293	4.9
203.17984	6.5
205.15878	51.4
207.11607	4.6
209.13258	11.8
211.14828	6.7
215.10825	4.2
215.14285	4.8
221.13332	3.1
227.10562	2.7
229.15794	2.7
231.46371	2.6
235.14864	3.6
237.16237	4.3
241.19534	4.6
251.17967	9.3
253.15623	3.2
269.18900	8.4
279.17416	9.6
297.18518	30.2
315.19531	100.0
316.19650	4.1
383.06021	2.9
466.66275	3.2
508.29205	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	508.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56820	0.2
55.05507	0.4
56.05034	0.7
58.06364	0.2
58.06633	0.5
60.08163	6.4
61.16753	0.2
67.05486	0.4
69.07052	0.6
69.17696	1.0
71.07372	3.2
72.08161	0.2
73.45735	0.2
83.08611	0.3
83.97871	0.2
86.09703	29.1
87.10028	0.2
88.16691	0.2
93.07000	0.2
95.00217	0.2
95.08595	0.3
98.98459	3.3
104.10732	2.7
105.07041	0.3
110.50806	0.2
119.00163	0.2
120.30795	0.2
125.00002	20.4
131.04900	0.3
184.07336	100.0
185.07658	0.7
299.00027	0.2
300.00473	0.2
310.31250	0.2
325.27197	0.2
404.07089	0.4
406.22403	0.4
476.08212	0.5
490.33121	1.0
508.13382	1.2
508.33948	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	508.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.5
56.05019	1.4
57.03436	0.7
58.06592	1.8
60.08161	19.6
67.05508	1.9
68.19660	0.6
69.07056	1.3
69.88236	1.1
70.94190	0.5
71.07371	7.1
79.05481	0.9
81.07044	1.9
83.08614	1.3
86.09702	54.3
93.07030	1.3
95.08601	1.5
98.98454	4.1
99.58679	0.5
104.10738	100.0
105.11054	0.7
107.08624	0.6
121.10149	0.7
124.99996	27.0
131.04904	1.1
131.75476	0.5
149.61690	0.5
163.01503	0.6
184.07333	99.3
195.25266	0.5
213.95567	0.8
258.10995	0.8
298.00116	0.6
299.00244	0.9
300.00671	0.7
305.49667	0.5
325.27283	1.2
391.31180	0.6
422.07700	1.0
490.32864	8.2
508.13528	3.0
508.34000	26.3
509.34756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.9
56.05029	3.1
58.99575	2.3
60.05646	2.0
61.01139	2.3
63.00008	2.8
67.04237	2.8
70.06586	20.5
72.08156	19.5
74.00655	15.0
75.00758	1.6
75.35872	2.0
78.99484	2.2
82.06564	3.4
83.06104	3.4
83.78929	1.5
84.04501	18.1
84.08128	4.1
86.09721	2.5
88.02213	4.8
89.00600	2.5
93.01044	66.3
96.04470	4.6
98.00628	31.7
98.06052	4.0
99.01418	8.0
100.02184	12.3
107.06033	1.8
108.04484	1.9
109.07627	6.3
110.06026	5.8
112.02182	3.4
112.08708	2.3
115.08727	2.7
116.01659	6.0
116.07069	5.3
120.01158	21.4
120.08106	29.2
121.00547	9.0
121.08411	2.7
127.01553	51.5
127.02441	3.4
129.06602	2.8
129.10249	3.5
130.05008	4.8
130.09764	1.9
135.02057	100.0
136.98169	2.0
137.02325	6.6
137.03540	3.7
139.71165	1.5
140.01628	8.4
141.03088	2.7
144.01144	4.1
151.03885	5.1
152.97667	8.5
153.06564	4.0
154.04996	3.3
154.99280	2.8
155.08147	3.8
157.71330	1.6
158.09241	6.3
159.11293	1.5
166.99255	9.4
175.11913	5.4
175.99306	3.1
182.98729	2.8
186.02158	9.8
186.99194	33.1
190.09724	3.1
194.00320	22.5
202.98668	3.7
207.11288	7.7
208.01901	59.9
219.01768	15.6
224.01326	4.8
235.01167	2.1
235.34731	1.9
237.02826	2.6
240.00928	12.7
248.70753	2.0
254.02507	23.7
258.95914	13.8
260.97409	1.8
261.02744	2.3
262.98996	2.4
290.98459	44.9
293.00061	14.7
305.15817	2.6
334.02679	40.6
335.02979	1.9
348.00540	2.6
380.03262	93.8
381.03345	2.3
400.03473	4.2
446.04416	16.7
490.27420	1.9
491.06351	7.2
508.28815	39.0
509.07394	5.2
509.29120	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64885	1.9
52.52537	2.1
53.53786	2.0
55.05497	4.8
56.96560	9.5
57.73244	2.0
61.69772	2.1
67.05487	3.8
69.82687	4.0
69.83057	3.9
71.44080	2.0
74.07796	2.0
75.81146	2.1
79.78926	2.0
83.08599	3.2
84.96015	2.8
98.22726	2.7
98.97586	6.4
100.11245	5.2
101.11594	2.2
116.98643	3.9
125.64857	2.1
133.08600	2.7
145.10130	2.3
183.15750	3.4
219.01685	4.3
253.07475	9.1
261.05246	94.3
262.05679	2.4
271.08545	7.0
279.05518	3.5
287.01617	16.2
297.06509	9.6
310.22211	4.1
367.03452	3.1
423.09698	3.7
465.11591	31.0
508.39502	5.2
509.10501	100.0
509.17096	4.9
510.11145	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	509.1293
Annotation	2''-Acetylcallunin
Peak:m/z	Relative Intensity
53.03945	2.3
55.01863	1.1
57.03436	0.7
62.09335	0.4
68.99795	0.9
69.03429	5.6
69.87643	1.3
71.04984	0.8
73.02904	0.7
78.44799	0.4
81.03414	11.1
85.02911	3.7
93.01057	0.7
97.02882	2.7
98.23330	0.5
99.04467	1.8
103.03930	0.6
107.01340	0.6
109.02876	4.9
110.06030	0.4
111.00746	0.6
111.04437	0.7
123.04428	1.4
127.03915	6.5
135.04402	1.8
137.02347	100.0
137.03444	8.6
138.02696	1.7
139.03905	4.0
145.05032	0.5
147.04443	0.9
149.02309	0.5
151.03918	3.1
151.04984	0.5
163.03905	0.9
175.03947	1.3
177.01868	0.9
179.03389	8.8
187.06047	3.1
195.03003	0.8
203.03386	5.4
208.01962	0.4
221.04433	0.5
229.05006	0.5
245.04495	0.7
245.31046	0.4
259.05746	0.7
287.05472	6.1
299.05774	0.5
305.06537	21.1
306.07080	0.7
311.05609	1.3
329.06558	2.8
347.07635	0.7
353.06479	0.7
371.07666	0.6
380.03140	0.8
395.07794	2.0
397.14423	0.4
450.95499	0.4
455.09897	0.5
473.10828	0.7
539.37683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65705	0.3
55.01855	0.6
56.02634	0.5
57.03415	1.1
68.99785	1.0
69.03428	0.6
71.01350	1.3
73.02911	2.0
76.64407	0.2
81.03381	0.3
84.02103	1.2
85.02416	0.5
85.02900	7.5
85.96337	0.3
87.50108	0.2
88.85379	0.3
89.03913	2.4
89.71714	0.2
91.05496	0.3
95.01320	1.0
96.10448	0.3
97.02872	0.5
97.85885	0.3
99.00804	1.3
111.04427	0.3
112.01579	3.1
113.02361	2.9
117.03379	7.4
123.00764	0.3
125.06012	0.3
127.00283	1.4
127.04008	0.3
131.03423	2.0
131.04897	0.4
131.96329	0.3
134.03624	0.7
135.04382	1.1
137.02341	0.9
137.05986	2.3
140.01036	3.7
141.01799	1.0
145.02841	17.7
149.02342	0.5
149.05974	2.1
150.06744	2.5
151.03902	0.7
151.07524	0.9
153.05324	0.5
154.99786	0.5
155.03392	0.7
159.02921	1.4
161.94957	0.3
162.03107	0.4
163.03899	0.7
168.00537	32.7
169.01297	1.8
177.05464	26.1
178.05852	0.5
181.04910	0.6
183.02884	100.0
184.03139	1.6
186.01590	18.3
194.02126	0.5
195.02872	0.9
201.03931	9.4
209.04411	2.9
213.03897	0.7
218.53502	0.3
219.06523	0.3
225.03958	0.8
249.03986	0.9
261.03839	0.6
279.04974	0.6
291.08691	0.5
300.06122	0.3
301.03387	0.8
302.03784	1.0
303.03952	0.9
315.08414	0.3
317.06354	0.4
318.06717	0.7
323.04221	0.4
331.08154	1.0
332.08426	1.2
333.09662	89.3
334.09985	2.5
341.05133	0.8
352.03815	0.3
385.45068	0.3
509.23746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
61.02924	0.4
62.77250	0.3
69.03422	0.8
70.06588	0.4
73.00720	0.3
73.02911	2.2
77.67115	0.3
81.03409	0.5
85.02908	1.1
95.04984	0.3
97.02886	0.9
98.09721	0.3
107.06093	0.4
109.02824	0.4
114.10306	0.3
115.03850	0.3
119.06097	2.1
126.01070	33.2
127.01894	3.7
127.03852	0.4
128.02620	2.8
137.02339	0.9
138.74013	0.3
140.04721	0.3
143.03752	0.5
151.03865	1.4
153.02127	1.4
155.03705	100.0
156.04066	1.8
167.03632	0.5
181.04953	5.5
185.04764	10.0
197.04774	19.8
199.06116	0.4
215.05821	16.9
251.05850	0.9
305.06314	0.4
311.07877	0.4
329.08844	0.5
359.09946	2.8
377.11121	8.0
378.11383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31027	0.4
61.87635	0.3
67.05476	0.6
69.07028	0.5
69.09811	2.7
75.60902	0.4
79.98502	0.4
81.07043	0.9
87.04462	18.3
89.05983	1.8
93.06976	1.4
105.06979	1.1
107.08561	0.8
109.10129	0.6
119.08527	0.6
131.07068	0.6
133.08609	0.7
133.10083	0.5
166.33662	0.4
203.05234	2.4
219.12114	0.7
227.05174	1.3
229.03050	0.7
243.04794	2.0
243.17113	1.3
245.06339	8.0
261.18195	1.0
271.04181	0.6
287.03699	13.0
287.06778	0.9
289.05276	100.0
290.05588	1.5
295.04993	0.4
344.84595	0.4
347.10120	0.6
423.23502	0.7
465.24640	8.7
466.25079	0.6
491.22644	4.1
509.23584	45.0
510.17975	1.0
510.24500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78590	0.6
53.03917	0.6
55.05510	1.7
59.99879	0.6
67.05498	3.8
69.07059	3.1
69.22405	4.1
73.02921	1.0
73.59293	0.9
78.03468	1.0
79.05500	1.8
81.07034	3.6
83.04962	1.0
84.08104	0.7
87.04452	1.0
89.06029	2.5
91.05489	2.7
93.07056	4.0
95.04926	1.7
95.08612	2.6
96.35269	0.7
105.07003	3.5
106.02895	1.3
107.04938	0.9
107.08594	3.2
109.06520	1.5
109.10144	1.8
119.08579	1.7
121.02891	0.8
121.10149	0.9
124.03943	1.9
131.08585	0.9
135.11691	1.3
143.08519	0.7
145.10132	1.1
147.04475	0.7
147.11690	1.0
155.19235	0.8
171.11638	0.8
177.11200	1.3
185.04332	0.8
193.09998	0.7
193.36261	0.8
203.05264	1.5
211.49800	0.7
225.99712	0.8
229.03154	0.8
235.05093	0.8
243.04819	3.0
243.17177	1.3
245.06253	4.9
261.18356	2.2
266.10352	1.2
279.11407	0.9
287.01038	0.4
287.03751	13.3
289.05280	50.8
310.12433	1.6
315.49753	0.7
325.11871	1.2
325.99362	0.7
326.12259	3.2
353.11334	1.2
354.11594	2.1
367.21863	0.8
378.10611	0.7
385.14029	2.1
386.14374	5.5
423.23438	3.0
465.24625	29.5
466.25082	1.9
491.22537	10.7
509.23550	100.0
510.23911	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	509.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	1.2
67.05511	1.4
67.18819	1.2
69.03426	2.8
69.07092	1.1
70.06586	1.5
79.05514	2.1
81.07036	1.5
85.02892	4.3
91.05486	3.3
93.07063	1.8
95.08608	5.3
97.02888	2.6
106.04159	2.5
107.04959	3.0
107.08581	3.0
109.02930	1.6
109.06493	2.0
117.07090	2.2
121.06508	2.6
125.06020	1.7
128.06244	2.1
129.07060	1.7
130.09737	2.7
133.10187	1.4
135.04416	2.9
137.06035	1.4
143.08510	2.2
145.06494	1.9
149.05966	2.5
151.03957	2.0
153.05473	4.9
153.09239	1.1
155.08508	1.6
157.10161	2.4
161.05969	2.5
163.07527	100.0
164.07930	1.2
165.05452	1.1
167.08267	4.1
171.08104	1.7
173.72166	1.3
175.07655	1.4
175.39787	1.1
177.05492	2.4
177.09125	2.9
181.04919	3.7
181.08612	4.1
183.08028	1.8
185.09613	2.7
187.07542	2.8
189.09079	24.5
193.10286	1.3
195.08061	1.8
197.09586	1.5
201.09097	4.6
203.10669	24.7
209.07950	6.9
209.09705	3.9
213.09088	5.1
215.10646	5.6
223.11063	1.5
227.10645	14.0
237.16302	1.6
241.12189	5.2
242.12932	2.3
247.09714	1.2
255.13818	1.8
265.15906	6.5
283.16910	61.3
284.17261	1.4
301.17941	16.8
311.16425	15.5
329.17450	49.3
329.21423	2.6
330.18188	2.0
347.18509	62.1
348.18826	3.0
384.48605	1.5
436.72427	1.5
493.40082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83892	1.0
55.05503	3.7
57.03416	2.2
57.07058	1.2
67.05510	7.5
67.05808	1.3
69.07063	4.2
69.09021	8.0
69.09427	2.4
69.82879	1.1
74.01813	1.1
74.39463	1.1
79.05482	2.0
81.07060	7.1
83.08591	3.3
87.96685	1.2
91.05465	3.4
93.07051	2.1
95.08610	5.8
98.22619	2.0
98.98463	17.4
103.05526	2.8
105.07000	1.8
109.10135	2.1
119.80102	1.1
121.10111	1.6
131.04935	3.4
155.01062	1.8
164.03566	1.3
173.02156	3.2
188.03387	2.9
189.03812	1.3
215.02235	1.7
216.02812	3.6
217.03191	2.8
238.84203	1.6
243.01869	2.4
244.02348	15.0
245.02695	8.8
261.02679	2.5
262.03339	9.1
263.03683	3.7
272.01813	6.5
273.02167	7.7
274.12921	1.2
288.00214	1.2
290.02695	3.0
291.03036	2.8
298.03415	1.7
299.03696	2.0
300.01340	69.9
301.01685	57.6
302.01965	2.6
317.01584	2.1
318.02078	4.6
319.02386	4.2
327.03241	2.3
328.03687	3.4
337.27374	28.3
338.28055	1.6
358.07086	2.9
359.07526	7.2
360.07639	12.0
362.06323	2.1
363.06915	2.7
376.07581	3.2
377.08099	5.5
392.06677	2.0
404.07376	10.7
405.07907	31.2
406.08249	1.5
422.08603	22.6
423.08978	52.5
424.09143	4.4
431.09607	1.3
432.09680	5.0
434.27890	1.3
467.12897	1.8
501.27655	1.2
509.13986	100.0
510.14441	4.7
537.53772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34917	0.4
52.21097	0.4
59.76509	0.4
64.04310	0.4
68.99785	2.5
69.16168	2.6
69.16565	0.8
70.06615	0.5
89.36929	0.4
92.87560	0.4
95.04966	0.6
98.22691	0.8
103.05460	8.7
105.03441	0.6
115.05473	1.2
127.05455	2.6
128.06190	0.6
129.07018	2.3
131.04918	28.0
132.05283	0.8
141.06970	2.6
143.04947	0.5
145.06479	5.0
149.02348	1.1
152.06200	0.6
153.04218	0.8
153.07027	1.3
154.01361	0.9
155.04932	7.1
155.06082	7.0
169.06459	0.7
170.09630	0.6
178.01379	1.8
178.06473	0.4
180.08093	2.4
181.06526	1.8
192.08095	1.3
193.04947	0.9
194.06018	0.5
196.07600	1.4
197.05978	0.8
199.03934	1.9
204.08080	0.7
206.06032	0.5
208.07535	5.8
209.05972	1.1
210.09157	1.3
213.05641	0.5
220.07596	1.7
222.09074	1.2
224.07051	0.7
224.51790	0.5
228.02803	0.5
229.96584	0.4
234.09071	0.5
235.06213	0.4
236.07024	5.4
237.07693	0.7
238.08601	7.9
238.10814	0.5
240.06725	0.6
241.04948	1.1
244.02565	0.4
248.07086	0.9
250.08641	1.3
254.08105	4.8
260.07053	0.7
262.08713	0.7
264.06516	5.3
276.06607	1.1
278.08231	1.4
280.06018	0.7
282.07587	12.5
288.01413	1.1
290.08145	0.8
300.08807	0.8
301.08612	1.5
302.08203	1.0
304.05957	2.0
305.04541	0.6
306.07669	2.0
318.07706	1.2
319.09698	1.8
322.07053	2.1
324.08725	1.8
332.05582	3.7
332.09027	0.6
346.06952	2.1
350.06680	3.5
374.06653	2.5
392.07617	18.9
393.07816	0.9
409.10196	0.5
434.14014	0.5
478.13525	1.5
496.13870	72.9
497.14185	4.1
510.15457	100.0
510.34326	1.9
511.15787	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	510.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55153	0.7
54.39190	0.5
55.01860	2.5
58.52331	0.6
65.03935	3.3
67.05488	1.1
69.03417	0.8
69.08849	2.5
69.09280	2.2
70.06570	0.7
75.04465	3.2
78.04694	4.1
79.05493	1.7
81.03416	1.5
81.07059	0.8
85.02889	2.9
89.03945	0.7
89.06025	1.5
91.04945	1.0
91.05473	12.7
91.81116	0.6
93.03400	10.8
93.07043	4.6
95.04971	6.3
97.06519	2.7
98.22723	1.9
103.05479	5.4
105.04508	1.6
105.07015	1.5
106.04163	28.3
107.04977	1.1
109.06461	0.9
111.04449	1.3
111.08085	1.0
117.03402	1.2
119.04968	3.6
121.02835	0.7
121.05614	1.6
121.06499	30.2
122.07243	1.0
123.04431	1.3
125.05981	8.8
131.04904	1.5
133.02908	0.7
133.06406	0.9
134.03600	3.7
135.04385	1.8
137.05962	8.3
138.06787	1.4
139.07518	2.3
145.02861	1.4
147.04411	3.9
147.97896	0.7
148.05135	2.3
149.00526	1.0
149.05968	44.0
150.06442	0.7
151.03882	1.9
151.07516	3.1
152.08282	1.0
153.05432	2.5
153.09093	13.2
162.00140	0.8
163.07533	6.5
164.07869	2.7
165.05475	0.9
165.09120	0.8
166.06207	1.7
167.07002	1.3
173.13278	0.8
177.05461	20.2
178.00774	0.7
178.05989	0.8
179.07010	2.0
180.01138	2.7
181.04948	0.8
181.08585	19.2
184.08635	0.7
185.09500	0.8
186.06824	1.9
191.06960	1.1
193.03171	7.2
198.02191	7.9
203.10681	1.2
209.08069	100.0
210.08369	1.1
278.52368	0.7
283.16833	1.5
284.17282	2.3
329.17459	1.1
330.17566	1.6
339.12180	1.4
347.18372	1.3
348.18842	2.9
511.33414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
54.48194	1.9
55.01872	5.5
64.37389	1.7
65.03937	5.3
67.37287	1.7
69.03431	2.1
69.40775	10.0
70.06602	2.1
72.59230	1.7
73.07136	1.8
73.48870	2.1
78.04713	5.2
79.05508	7.1
81.03418	6.8
81.07056	2.3
82.03751	2.0
85.02920	3.2
86.09686	2.6
88.02204	2.0
91.05479	45.6
93.03413	11.1
93.07053	5.7
95.04973	8.5
95.62211	1.8
97.06534	3.3
103.05463	9.2
105.03394	4.7
105.04464	2.4
105.07002	9.1
106.04179	18.6
107.04932	10.4
109.02890	3.9
109.06531	5.7
111.04543	1.9
115.05428	2.3
117.03357	2.0
118.04160	2.1
119.04932	41.3
119.08558	2.7
121.06501	26.9
123.04417	4.8
123.08041	3.7
125.05981	6.8
127.03922	1.9
129.07036	3.9
131.04913	11.0
132.05676	6.6
133.06483	8.5
134.03659	3.1
135.04414	2.5
135.08025	2.4
137.02345	24.3
137.03394	3.4
137.06000	8.7
138.02663	9.7
145.06467	2.7
147.04420	11.5
147.08052	6.1
149.05966	39.7
151.03851	2.0
151.07530	23.6
151.65659	1.8
153.05481	3.5
153.09096	10.7
157.10106	3.2
159.08041	6.3
160.05206	4.5
161.05988	30.8
162.06747	6.4
163.03845	2.2
163.07529	6.4
165.05487	5.1
167.05728	2.2
167.07025	52.4
175.07501	14.2
177.05449	28.3
179.06999	17.3
180.07797	8.1
181.08597	20.6
187.07530	15.8
190.06219	3.8
191.07027	22.5
192.07794	11.2
193.08514	2.1
205.08589	53.2
209.08072	100.0
217.08572	3.4
223.04257	10.4
235.09628	13.6
260.16595	1.8
292.22714	2.4
305.06442	2.6
306.06808	3.3
339.12268	5.1
341.13937	4.3
359.14478	2.0
371.14960	5.1
386.17810	2.2
414.17453	2.8
432.18475	14.1
450.19528	5.9
461.27518	2.4
510.18512	2.3
510.26666	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	510.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.1
69.03429	1.9
71.15723	1.1
71.97294	0.7
77.63140	0.6
77.71210	0.7
81.03400	4.0
85.02914	1.7
85.05576	0.9
93.03391	1.9
97.02888	1.9
108.02071	1.1
109.02861	1.9
111.04424	3.5
125.05980	3.1
127.03874	1.0
133.64061	0.7
141.05417	1.8
143.29196	0.8
151.03897	100.0
151.04967	5.5
152.04277	1.6
169.04941	13.1
169.06270	1.2
190.20094	0.7
211.07445	0.9
295.08032	6.7
313.09161	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	510.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.6
69.03419	1.7
70.54598	1.1
75.22009	0.6
77.23792	0.6
77.92467	0.7
81.03406	5.2
81.74440	0.6
85.02892	2.1
90.86908	0.6
93.03402	2.5
97.02885	2.1
108.02047	1.1
109.02853	2.2
111.04475	2.9
117.19713	0.6
125.06026	3.4
126.40004	0.6
127.03928	1.2
141.05446	2.3
145.04938	0.6
151.03903	100.0
151.04961	5.6
152.04207	1.9
167.87712	0.6
168.90918	0.6
169.04953	11.2
274.60950	0.7
295.08093	7.1
313.09158	11.6
313.36728	0.7
353.89911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57711	1.7
55.79112	1.6
59.05373	1.5
59.84005	1.6
69.03418	4.6
69.08523	4.9
69.08946	5.9
71.04965	2.4
77.41068	1.6
81.03417	6.4
85.02890	6.2
93.03371	1.6
95.31329	1.6
96.67915	1.6
97.02888	2.0
99.04425	2.6
109.02867	3.2
112.03950	1.6
125.05974	3.0
127.03905	2.6
151.03908	100.0
151.04965	4.1
151.07484	2.1
152.04132	2.2
166.05165	1.9
169.04990	8.9
171.72003	1.6
181.05035	2.0
199.06383	5.2
251.83513	2.0
295.08069	2.4
313.09113	14.1
337.85440	1.9
510.16055	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97169	1.8
53.03954	2.3
61.02890	2.9
65.03931	1.9
69.03424	7.5
70.06596	4.0
73.02898	2.1
73.96340	1.9
81.03403	9.6
85.02895	7.7
86.03263	1.9
87.76239	2.1
93.07059	2.9
95.08608	4.5
97.02901	6.4
103.05463	14.8
109.02870	5.0
111.04436	4.6
125.05978	3.5
127.03927	3.3
131.04927	35.0
138.23590	1.9
151.03905	100.0
151.04973	6.1
152.04248	3.0
163.07527	11.5
169.05017	9.3
172.89809	2.0
202.10817	4.0
206.05344	2.3
207.06502	2.8
233.08168	4.0
234.08565	5.3
243.10025	2.5
244.10910	2.0
247.09511	3.0
260.09952	2.4
295.08130	6.0
313.09155	6.4
317.06293	2.5
318.06577	2.6
320.25977	2.2
329.17520	3.3
330.17838	6.1
331.08188	2.5
332.08566	4.3
333.09021	2.8
334.09122	4.2
341.27466	2.1
347.18643	3.5
348.18936	7.3
509.23615	7.6
510.24197	91.5
511.24057	3.9
520.61334	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05504	2.9
58.48977	1.6
58.99592	2.8
61.01118	1.9
67.05486	4.1
69.03416	7.6
69.28938	9.9
71.93807	1.6
73.02859	2.0
74.00653	2.4
79.05489	6.6
81.03406	12.6
81.07050	3.8
83.04968	6.7
83.59235	1.8
86.00665	2.6
87.04523	2.4
88.02211	20.1
88.03954	3.9
89.00606	3.4
91.05482	7.4
93.07037	5.7
95.04966	4.0
95.08551	3.8
97.06515	2.3
99.71348	1.7
100.02189	4.6
101.00558	1.8
105.07010	9.5
107.04941	4.8
107.08583	5.1
109.06538	2.8
111.04424	2.3
112.02144	2.4
113.00597	2.2
113.05992	1.8
114.03743	2.0
116.01665	15.7
116.81808	1.9
117.07024	6.5
119.08565	8.6
121.02860	2.2
121.06477	3.3
121.10106	2.5
128.06273	2.3
129.06966	3.4
131.08591	6.6
132.01134	4.8
133.06479	2.4
133.10110	4.8
134.02672	2.6
139.38492	1.6
141.07031	2.8
142.07750	4.7
143.08525	7.2
145.06421	2.2
145.10167	7.2
146.02669	2.5
147.08066	2.5
147.11653	2.5
155.08473	3.0
156.09387	2.2
157.10147	8.8
159.08078	5.4
159.11697	7.5
159.52580	1.8
160.04303	2.0
161.09618	2.5
161.13248	3.7
162.02237	7.3
163.11176	4.1
167.08627	3.5
168.09306	3.1
169.10138	3.5
171.11671	3.7
172.04259	2.2
173.09599	4.5
175.20578	1.6
179.08540	2.6
181.10152	4.4
183.11700	7.4
185.09579	2.1
185.13287	2.6
187.11220	5.5
193.10158	2.4
194.10809	2.0
195.11758	3.2
199.11156	3.6
201.12704	2.5
207.11630	2.5
209.13228	2.7
213.01364	1.9
227.14178	1.8
233.09944	3.2
255.13794	3.1
273.03912	2.3
273.14825	12.5
283.16797	2.5
301.03372	2.1
343.13403	3.7
368.16550	2.6
386.17776	4.9
414.17392	11.7
432.18372	100.0
433.18542	6.8
450.19412	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95432	3.3
65.88242	3.2
69.03421	9.1
71.89930	2.9
74.89220	3.3
81.03421	11.6
81.32290	3.3
82.17464	4.2
87.04461	7.7
88.02194	19.8
89.00623	4.6
91.05467	7.2
93.07030	6.8
95.08590	5.1
98.23429	9.2
105.07040	10.4
112.02177	5.6
114.84175	3.0
116.01656	15.3
117.07018	4.3
119.08556	7.9
131.08565	5.1
133.10191	4.3
142.07794	3.8
143.08629	5.4
145.10123	10.3
157.10156	4.4
159.11757	5.3
159.44487	3.5
162.02190	6.0
166.24115	3.1
183.11676	4.3
201.12791	3.6
207.11607	4.0
209.13283	3.6
229.22664	3.8
245.06271	3.4
255.13870	6.3
267.11752	3.3
273.14856	8.5
289.05197	20.9
290.05594	15.0
311.16577	3.7
312.92673	3.3
343.13828	4.2
407.54221	3.2
414.17389	10.5
432.18365	100.0
433.18893	5.1
450.19446	43.7
466.24414	3.6
510.17838	6.5
510.23947	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	510.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01861	1.7
57.03423	3.1
61.02922	5.8
61.16436	0.9
65.03919	1.5
69.03427	12.7
69.25732	5.8
70.06580	1.7
71.04982	1.5
73.02903	3.0
78.94528	0.9
81.03414	7.0
85.02899	59.3
86.46622	1.1
87.04463	1.3
91.03931	3.5
91.05479	14.7
95.04945	3.1
97.02882	15.2
98.23429	2.1
99.04440	3.1
105.07009	1.2
109.02886	4.9
111.04425	1.6
119.04932	12.2
119.05788	1.3
126.01083	11.8
127.01402	3.8
127.03907	15.4
128.00749	6.6
136.05179	1.9
137.02290	1.9
137.05965	1.0
138.02632	0.9
145.04956	24.7
147.04329	1.3
151.03909	16.9
151.07529	100.0
152.07881	2.3
155.03694	28.7
156.04056	13.3
157.03407	17.7
163.06027	8.7
169.04980	3.1
169.08588	20.2
181.04918	6.2
181.08485	1.1
185.04739	2.3
186.05115	1.2
193.08482	2.1
197.04689	3.3
198.05119	2.1
199.04472	2.8
215.05699	2.4
216.06148	2.3
217.05453	1.9
259.09769	1.1
277.10788	3.4
279.69040	1.0
295.08240	1.1
304.04291	1.1
306.06729	1.3
313.09216	2.2
330.07315	1.0
334.47101	1.0
378.11041	1.8
511.23416	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	510.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.05503	0.2
59.34829	0.1
61.33122	0.1
65.03933	0.3
67.05482	0.4
69.07049	0.3
70.44516	0.2
79.05470	0.2
81.07019	0.2
83.04961	0.1
83.08588	0.2
87.04446	0.2
88.92708	0.1
89.05995	0.2
91.05450	0.1
92.04989	0.9
92.48434	0.2
93.05775	0.3
93.07029	0.2
94.06562	4.0
95.04978	0.2
96.04472	0.6
97.06545	0.2
100.11250	0.4
105.07051	0.2
106.02897	0.3
110.06040	3.2
110.06770	0.1
121.02856	0.3
132.57872	0.1
133.08591	0.2
133.10149	0.2
136.03720	0.1
138.05490	100.0
139.05827	1.3
154.04968	0.2
156.13800	0.2
170.15395	0.3
182.15419	0.3
184.13327	0.2
190.49660	0.1
199.11494	0.1
210.15028	0.4
320.07007	0.1
466.25134	0.2
509.40573	0.2
510.24857	12.3
510.41037	0.4
511.25223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.9
68.99778	2.6
69.03409	3.4
69.07064	2.7
69.58715	9.7
79.05487	3.3
81.02971	2.4
81.03423	8.3
81.07064	5.2
83.71240	2.4
88.07619	2.4
91.05488	7.1
93.07040	7.1
95.04977	5.6
95.08597	7.5
97.02913	4.8
98.23380	4.5
101.05398	2.2
103.05490	3.9
105.07031	10.2
107.08614	4.1
109.10125	2.5
117.07007	4.5
119.08565	19.2
119.09238	2.2
121.06506	3.1
121.10138	2.4
127.03914	4.4
131.04941	10.3
131.08624	7.9
133.10146	8.3
135.08105	6.1
142.07732	2.6
143.08569	8.4
145.10127	25.2
147.11716	7.5
149.02364	11.6
155.08580	4.4
156.09335	6.2
157.10086	12.3
159.08090	4.8
159.11662	10.4
161.09566	3.2
167.08517	3.8
169.10144	12.0
170.10893	7.4
171.11661	17.3
173.09618	10.0
173.13313	10.8
175.11195	4.8
178.01373	4.1
181.10109	4.1
182.11011	3.8
183.04393	3.4
183.11678	12.5
184.12469	2.0
185.09622	4.5
185.13315	13.4
187.11185	6.2
187.14815	34.5
188.11998	3.6
189.12918	2.2
193.04939	10.3
193.10106	4.2
194.10965	2.8
195.11717	5.1
196.12502	6.4
197.09641	3.2
197.13293	8.7
198.14009	3.1
201.12811	5.8
203.10527	3.8
205.15845	2.3
207.11655	7.9
211.11296	4.2
211.14798	19.1
213.16473	3.8
215.14275	15.9
220.12451	5.2
221.13243	3.1
225.16443	5.4
229.04970	4.5
229.15797	12.4
231.10193	5.9
235.14790	11.9
237.07602	19.5
239.18056	4.5
242.33229	2.9
249.16504	5.9
253.12215	4.7
253.16010	6.1
255.13779	2.2
257.11615	5.8
267.17523	4.6
271.13412	3.8
271.17099	2.2
285.11914	2.4
285.14902	6.4
285.18488	5.1
295.16977	20.1
313.14294	4.5
313.17969	89.9
314.18359	3.2
331.18927	7.6
344.78671	2.3
373.20068	100.0
510.26776	16.7
510.34259	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	510.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60469	0.8
52.82113	0.8
52.82388	1.0
52.93536	0.8
54.36255	0.9
55.01868	1.2
55.05510	2.2
59.04985	1.1
67.05503	19.0
69.03428	3.4
69.07072	2.2
69.22507	4.2
71.04990	4.8
79.05494	5.1
79.86862	1.1
81.07053	11.7
83.04967	2.5
83.17474	1.1
91.05479	7.7
93.07045	8.4
95.04958	7.2
95.08589	4.4
97.02891	13.8
97.06516	1.7
103.05428	1.0
105.07030	10.5
107.04958	1.3
107.08595	5.0
109.06535	3.1
109.10131	1.5
111.04400	4.3
111.08061	1.9
113.06007	3.2
117.07027	5.3
118.07828	0.9
119.04963	1.2
119.08578	57.0
121.06491	2.2
121.10162	2.0
123.08051	1.3
128.06233	1.7
129.07002	1.8
130.07793	2.6
131.08568	9.4
133.06490	2.0
133.10117	8.3
135.08047	2.6
137.05986	2.9
137.09641	2.1
139.07533	2.5
141.05463	15.4
141.06522	1.5
141.07013	0.9
142.07780	4.0
143.08533	6.5
145.06558	1.3
145.10110	10.6
147.08014	2.1
147.11682	2.9
149.02339	2.3
149.09639	2.7
151.07509	1.1
153.09111	1.1
155.07037	21.5
155.08531	5.4
156.09351	3.8
157.10115	13.8
158.10889	2.5
159.08086	2.2
159.11693	13.9
161.09634	4.2
163.11227	1.1
165.07083	1.2
167.08539	2.8
168.09302	2.1
168.13202	1.0
169.10127	11.6
170.10913	5.5
171.11674	12.3
173.09622	2.5
173.13257	14.7
175.11246	2.2
177.09167	1.4
179.08560	3.5
180.09416	1.0
181.08667	1.6
181.10136	4.4
182.10936	2.6
183.11688	12.4
184.12465	5.8
185.09596	5.6
185.13271	7.6
186.10352	1.5
187.11162	2.1
187.14833	1.6
192.09300	1.6
193.10123	5.3
194.10927	2.8
195.11716	8.0
196.12450	2.3
197.13252	21.6
198.13863	2.1
199.14867	2.3
201.12708	5.2
203.10861	1.1
203.14272	2.3
205.10129	3.2
206.10971	2.4
207.11655	7.3
208.12419	2.1
209.13266	9.1
210.14081	1.2
211.11250	2.9
211.14804	12.2
213.12871	1.1
215.10672	1.3
215.14317	1.9
219.11761	2.5
220.12442	19.1
221.13287	5.7
223.11246	1.6
223.14851	4.3
225.12845	1.7
225.16385	11.0
234.14038	4.1
235.14815	33.0
235.17094	1.9
236.15179	2.0
238.13399	1.3
239.17938	2.1
249.16335	8.8
251.14384	1.5
253.15903	12.8
255.13828	2.9
267.17429	4.6
269.15369	1.9
271.16946	6.4
277.01819	0.8
277.15891	6.3
280.14575	2.5
281.10211	1.1
285.18420	1.7
295.16949	20.6
296.17188	1.0
303.19568	1.4
313.17957	100.0
314.18375	5.0
331.18985	10.5
345.17386	1.1
349.20135	1.7
356.65451	0.9
373.20044	3.3
414.19128	1.0
470.22128	1.1
510.27063	20.2
510.34232	3.0
511.27161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05509	0.3
57.07082	0.3
69.10001	2.2
74.10705	0.2
74.64366	0.3
77.03902	0.4
79.05482	3.0
83.08644	0.4
86.83654	0.3
87.04459	100.0
88.04800	0.9
95.04949	1.2
95.08639	0.3
103.05450	2.4
105.07018	53.1
106.07341	0.7
109.83340	0.3
123.11680	0.5
149.01736	0.3
209.13235	0.4
285.14722	0.8
337.88898	0.3
343.75031	0.3
367.06802	0.3
387.19376	0.4
463.37280	0.4
510.29370	0.6
510.36832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05505	3.4
65.03941	0.8
67.05497	5.9
68.05022	0.6
69.07056	2.4
70.58636	1.5
71.04989	0.7
73.48656	0.5
78.03454	1.4
78.04168	0.6
79.04224	0.7
79.05486	7.0
80.05015	4.4
81.07043	12.9
83.04975	6.8
83.08580	0.7
91.05465	9.5
93.07034	11.1
95.04964	10.5
95.08603	9.5
96.04456	3.1
97.06525	1.8
105.03362	4.3
105.04501	0.8
105.07016	16.3
106.02909	2.3
106.03716	2.8
107.03986	0.8
107.08576	8.9
108.45004	0.7
109.06513	1.8
109.10136	3.3
111.22362	0.7
115.05421	0.8
117.07006	5.0
118.07341	1.6
119.08568	12.7
119.69811	0.5
121.10126	5.8
123.08047	1.6
123.11668	1.1
124.03938	100.0
125.04276	1.0
128.06168	1.4
129.06990	2.2
130.07777	1.1
131.08560	7.8
133.10120	8.0
135.08083	0.7
135.11668	2.0
141.06918	0.7
142.07771	1.0
143.08549	4.1
144.09361	1.4
145.10095	9.3
147.08037	0.7
147.11682	5.2
149.09630	0.6
155.08527	0.9
156.09283	1.1
157.10100	4.6
159.11691	7.9
161.13231	2.4
169.10083	2.1
170.10924	0.7
171.11682	2.9
173.13213	4.1
175.14844	1.3
185.13269	2.0
187.14806	3.6
189.16394	1.0
195.11693	0.7
197.13213	1.1
199.14804	1.6
201.12616	0.7
201.16367	2.9
211.14812	2.0
213.16357	1.9
217.15804	0.7
227.17902	1.0
238.12225	1.4
239.12535	1.7
240.12866	2.2
241.13211	0.7
258.14001	0.9
267.20963	0.7
293.22681	0.7
313.17902	0.8
315.19531	2.8
343.00665	0.7
351.26776	0.8
420.47098	0.7
470.86960	0.7
474.29678	0.7
492.30841	2.3
510.30844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3552
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.59141	0.4
55.05501	0.6
56.05038	0.8
57.03435	0.8
57.07070	3.3
58.06594	1.2
59.07368	0.4
60.08157	16.5
67.05494	1.0
69.07066	0.8
69.39245	0.4
71.07362	7.0
71.08635	2.0
71.43624	0.3
75.59484	0.4
79.05450	0.5
81.07016	0.8
83.08614	0.9
85.10157	1.4
86.09695	50.2
89.06026	0.5
91.05483	0.4
91.50846	0.5
95.08593	1.4
98.98447	4.2
104.10730	100.0
105.07056	0.4
105.11054	0.9
109.10169	0.5
112.58386	0.4
114.07753	0.4
124.03960	1.4
124.99988	29.8
163.01495	0.4
184.07321	100.0
185.07713	1.0
258.10962	1.4
327.28958	2.1
338.27646	0.7
360.51974	0.5
366.33218	0.4
451.28455	0.7
492.34418	9.5
510.35513	27.6
511.35913	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15722	4.4
55.05507	13.4
57.07072	100.0
60.06420	4.6
67.05495	25.6
69.03419	8.6
69.07060	20.8
71.08622	69.1
80.68725	4.4
81.03414	11.2
81.07031	43.8
82.38479	5.1
83.08612	27.5
85.02877	29.5
85.10185	47.0
86.09686	14.0
89.06023	5.1
95.04927	5.3
95.08593	52.5
96.22177	3.9
97.02902	16.7
97.10155	21.2
98.22702	12.1
99.04450	7.1
104.10746	26.5
105.07030	17.1
109.02864	8.5
109.10137	27.8
121.10100	5.0
123.11679	10.3
124.03930	24.4
127.03899	29.2
137.13243	5.9
145.04945	18.5
184.07314	23.2
235.05940	5.1
239.23683	81.6
313.27304	37.2
331.28171	6.3
341.26733	6.2
383.27823	38.9
401.28903	65.6
510.34848	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	511.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
58.59127	0.3
59.04975	0.3
59.31632	0.3
67.05470	0.5
68.99780	12.8
69.00146	0.8
69.03403	0.4
70.06576	2.3
79.05452	0.9
81.03383	0.6
81.07052	0.4
85.02867	0.6
89.03876	0.6
91.05444	1.0
93.07013	0.3
95.04965	0.4
97.06499	0.6
103.04748	0.3
103.05427	0.9
104.06226	0.5
105.07023	0.6
106.04137	0.4
107.04930	0.6
111.00756	0.6
112.08693	0.6
117.03345	1.0
117.06950	0.4
119.04801	0.4
121.02855	3.0
121.06480	0.6
124.38519	0.3
131.04901	2.9
132.05713	2.5
133.06453	0.4
133.10077	0.4
135.04395	11.9
137.02310	4.5
137.05940	0.4
139.00244	19.3
146.01003	0.3
147.04343	1.5
149.02306	0.5
149.05916	0.9
151.03876	0.3
153.05573	0.4
157.01279	1.1
160.05136	1.1
161.02260	0.4
161.05943	0.5
163.03886	0.5
163.23994	0.3
165.05449	0.5
167.07036	0.7
171.04428	0.6
175.03897	0.7
176.04645	0.3
177.05455	2.1
179.07002	0.4
180.07744	0.7
185.00893	1.5
185.02274	0.5
191.06982	1.7
192.07790	3.5
193.04747	0.3
203.03336	0.8
209.08067	0.3
215.06944	0.5
219.06592	0.4
221.04501	0.6
227.03380	1.2
229.04973	0.7
245.04521	0.5
247.05934	0.7
253.75285	0.3
255.02803	0.4
273.03888	70.1
274.04361	1.5
279.08481	0.3
287.05527	0.4
297.09613	0.6
301.03375	100.0
302.03784	3.2
303.04968	0.9
318.40298	0.3
322.66879	0.3
481.11240	0.8
493.11124	1.7
510.30008	0.4
511.18015	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.20678	0.5
67.05505	1.1
69.03451	0.6
69.07065	0.8
71.42960	0.7
74.67002	0.5
79.05487	0.8
81.03432	0.9
81.07056	1.8
83.05007	0.7
91.05486	1.2
93.07034	1.1
95.04974	1.2
95.08587	1.0
97.06546	1.3
105.07057	1.4
107.08607	0.9
109.06483	0.6
119.08595	0.8
121.02908	0.7
121.06471	0.6
124.03953	6.7
127.33363	0.5
129.50095	0.5
131.08626	0.7
138.05499	10.9
159.07913	1.0
179.14410	0.6
193.08467	0.6
263.16183	5.1
283.15518	0.6
338.07767	0.9
399.10327	0.6
407.20419	0.8
425.21420	8.5
438.03531	0.6
449.21741	0.7
467.22528	51.9
468.22839	1.8
493.17856	0.7
508.20367	0.6
511.21518	100.0
512.21381	2.9
512.26727	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	511.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.7
51.02371	1.5
53.03940	3.1
55.01873	0.4
55.05506	2.4
65.03923	0.4
67.05501	2.6
69.03425	6.9
69.07051	1.1
69.69625	1.5
73.08029	0.4
77.03912	3.1
79.05486	2.0
81.03412	3.2
81.07051	2.7
83.04972	5.9
91.05470	4.7
93.07030	3.4
95.04961	16.7
95.08586	3.1
97.02882	0.6
97.06516	0.6
98.22717	0.4
103.05479	0.6
104.98657	0.4
105.03383	100.0
105.04400	6.3
105.07005	5.1
106.03704	1.2
107.04968	1.0
107.08578	3.6
109.06500	1.7
109.10111	0.6
111.04431	8.7
117.07024	2.9
119.04951	0.5
119.08568	6.9
119.55299	0.4
121.06509	1.2
121.10117	1.8
123.08094	0.6
124.03922	3.6
128.06195	0.7
129.07008	1.9
130.07710	0.5
131.04912	0.6
131.08559	7.9
131.09464	0.8
133.06477	1.1
133.10121	5.6
135.08026	2.4
135.11568	0.5
137.09576	0.5
141.06984	1.2
142.07770	1.8
143.08546	3.1
144.09364	0.5
145.06496	1.0
145.10094	6.7
145.71733	0.4
147.08020	1.4
147.11679	2.2
149.09598	1.0
149.13240	0.8
149.76721	0.4
153.06931	0.6
155.08553	2.1
156.09364	1.7
157.10104	3.8
158.10857	0.9
159.08020	1.9
159.11679	3.7
160.08804	0.6
161.09602	2.7
161.13226	0.8
163.07544	0.6
163.11192	0.6
165.07008	0.8
165.09169	0.5
167.08574	0.8
168.09315	1.0
169.10126	1.6
170.10901	0.6
171.08038	0.6
171.11679	3.4
173.09628	1.7
173.13242	12.1
175.11177	1.8
175.14780	1.0
177.09044	0.5
179.08534	0.7
180.09341	0.6
181.10065	2.0
183.08105	0.6
183.11693	3.3
185.09584	1.3
185.13278	2.5
187.11098	1.0
187.14787	0.9
188.15526	1.3
189.12735	2.4
191.08876	0.5
191.10666	1.2
191.14334	1.1
193.10121	0.6
195.11673	2.2
197.09660	0.4
197.13228	1.7
198.13965	0.5
199.11166	2.6
199.14803	1.2
201.12730	3.8
203.14279	1.2
207.11749	0.9
208.12498	0.7
209.09567	0.7
209.13225	0.9
211.11205	0.6
211.14832	0.8
213.12712	0.7
215.10570	0.4
215.14304	1.7
216.15073	1.9
217.15819	0.9
219.13824	2.5
221.13263	0.8
223.11287	0.6
223.14932	0.5
225.12802	0.5
227.14284	0.6
232.12448	0.6
237.16385	1.5
239.14186	0.5
241.12384	0.8
247.15022	0.8
255.13789	0.5
255.17477	1.2
265.15869	2.3
273.14856	0.6
283.16980	2.2
286.04828	0.7
287.05515	1.4
288.27048	0.5
293.15280	0.9
301.17947	2.9
311.16357	2.0
315.19534	2.3
316.19788	4.1
323.16232	1.0
329.17413	7.2
347.18585	1.0
389.19534	13.5
410.91321	0.5
411.17862	1.5
459.10007	0.4
479.17014	1.0
493.18204	0.4
511.23526	5.6
511.30655	0.9
511.37555	1.2
512.23242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01849	1.9
55.05511	8.4
57.03437	2.6
61.02921	3.0
62.08684	0.4
65.03944	0.5
67.05473	1.2
69.03430	11.7
69.07073	2.9
70.06551	0.7
71.04972	0.9
73.02911	3.1
77.03922	0.8
79.05479	1.7
81.03423	3.9
81.07043	0.5
83.08622	6.8
85.02901	16.5
87.04469	2.5
91.03964	1.1
91.05479	3.0
93.07052	2.3
95.04949	1.0
95.08028	0.5
95.08596	5.9
97.02892	7.4
97.10166	3.1
99.04449	1.4
99.08080	0.8
103.03947	0.5
103.05450	1.4
105.04498	0.6
105.07062	2.8
107.04909	1.1
107.08577	1.4
109.02867	2.2
109.06533	0.6
109.10126	1.4
110.32092	0.4
113.72169	0.5
115.05441	1.3
117.07015	0.9
119.08506	1.3
121.02852	0.8
121.06549	0.5
121.10146	10.7
123.04437	0.6
127.03925	3.4
128.06206	4.0
129.06969	1.0
131.04893	0.9
133.06468	1.7
135.04372	0.7
135.11678	0.8
139.11177	0.7
141.06944	0.8
142.07745	0.8
143.04903	0.7
143.08568	6.1
145.04964	1.3
145.06477	1.9
145.10054	0.7
147.04359	1.3
147.08060	0.6
149.02313	0.8
149.05968	1.7
150.18660	0.5
151.03940	3.1
153.06998	0.7
154.07773	0.7
155.08508	2.0
157.06451	1.2
157.10101	1.5
158.07172	0.7
159.08005	1.4
160.05106	0.8
161.05972	7.3
163.03947	2.3
163.07533	6.0
165.05489	4.9
165.06879	1.0
167.07106	0.7
169.10121	1.8
170.07346	1.0
171.08047	3.3
173.05954	1.4
173.09663	2.5
174.06810	1.2
175.03914	0.5
175.07516	4.7
177.05469	36.8
177.08952	2.9
178.05838	0.9
179.08549	1.0
181.10136	0.8
182.07310	0.9
183.08034	2.0
183.11711	1.0
185.09651	2.4
186.06747	1.0
187.03958	0.5
187.07426	2.0
187.11168	0.8
188.08263	1.0
189.05461	13.4
189.09109	7.9
189.75151	0.5
190.06252	0.8
191.07016	9.7
191.10545	0.7
193.08597	2.5
193.10115	0.8
195.06496	4.1
195.08084	0.7
197.09654	4.4
198.06857	0.7
198.10088	0.6
199.07494	1.4
199.11235	0.8
200.08247	0.5
201.05470	1.6
201.09091	8.3
203.07050	10.7
203.10696	5.6
205.08603	2.6
207.11635	0.5
209.09697	0.7
211.07472	1.0
211.11163	1.5
212.08261	2.2
213.09061	4.8
214.06140	0.8
214.09619	0.6
215.07057	1.7
215.10664	10.5
216.07745	0.8
217.08589	97.9
218.08916	2.4
219.10165	2.4
224.46480	0.5
225.09108	1.6
227.10672	5.1
228.07846	2.2
229.08594	28.0
229.11896	2.3
230.09207	1.5
231.10167	10.5
235.09438	3.1
239.10658	2.2
241.12242	1.2
243.10176	16.4
243.13811	0.9
244.10880	0.6
245.11710	9.8
251.14340	0.5
252.11536	0.9
253.12161	2.9
254.13242	0.5
255.13817	1.7
257.11703	2.8
257.15372	0.6
266.13046	0.8
267.13809	0.9
269.15308	1.4
270.12534	0.8
271.13309	3.8
271.16946	6.3
277.15750	0.7
280.14807	0.7
285.14825	2.5
285.18109	1.0
295.16949	5.1
303.15814	1.0
313.17969	62.2
314.18387	2.6
331.19016	22.1
349.20053	2.8
350.94922	0.5
357.64706	0.5
408.24744	0.5
493.24307	8.7
494.25021	0.7
509.81931	0.7
511.25375	100.0
512.25616	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	511.254
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
53.03941	1.8
55.01873	1.5
55.05505	6.0
56.31755	0.9
57.03432	2.2
61.02911	3.8
67.05492	1.5
69.03426	9.8
69.07072	2.8
69.73569	3.5
70.06602	4.5
71.01322	0.9
71.04982	1.1
73.02914	2.2
81.03412	3.3
81.07053	1.1
83.08610	5.3
85.02904	14.5
87.04459	1.9
91.03900	1.6
91.05468	2.5
93.07044	3.4
95.04958	1.9
95.08608	4.2
96.04492	10.6
97.02890	7.3
97.04822	2.7
97.10155	1.6
99.04424	1.5
103.05457	5.5
105.07018	3.1
107.08569	1.5
109.02902	6.1
109.10178	1.2
112.03963	17.3
113.04301	4.3
115.05464	1.6
117.07014	1.3
119.08582	1.9
121.06576	1.4
121.10149	7.6
123.04465	1.5
127.03912	3.5
128.06218	2.2
129.06976	1.5
131.04927	8.5
132.05266	1.7
133.06470	1.7
143.08571	4.6
145.04947	2.9
145.06517	1.3
149.06007	1.0
151.03960	1.2
151.07497	1.2
153.07094	1.2
154.07755	1.3
155.08542	1.9
157.10100	1.7
161.05978	5.4
163.03938	2.5
163.07561	4.5
164.08168	3.2
165.05476	2.6
167.07147	1.6
169.10144	2.2
171.08043	2.8
173.09680	1.1
174.06868	1.2
175.07574	4.3
177.05453	31.1
177.06967	1.6
177.09030	2.0
179.08685	1.0
183.08067	2.7
185.09618	2.5
189.05464	13.4
189.09111	7.5
191.07062	8.7
193.08598	2.2
195.06584	3.1
197.09651	4.4
199.07599	2.1
199.11188	0.9
201.09085	6.1
203.06987	8.5
203.10727	4.4
205.08586	1.7
210.08708	5.1
211.07567	1.0
211.11278	1.4
212.08324	1.5
213.09108	4.5
215.10669	7.7
217.08591	78.6
218.08894	1.8
225.09036	1.5
227.10706	4.2
228.07913	1.8
229.08598	21.3
229.12260	2.8
231.10161	10.7
235.09549	1.6
239.10730	1.3
243.10110	12.0
243.13753	1.8
245.11673	7.6
253.12265	2.2
257.11810	3.0
262.10699	3.0
263.11108	2.7
263.19998	1.0
269.04404	1.2
270.05106	1.8
271.13358	3.0
271.16977	6.1
277.15775	1.3
285.07635	3.1
285.14960	2.8
285.18457	2.0
295.16916	4.5
313.17960	50.8
314.18307	2.9
331.19031	23.1
349.20044	2.8
396.99365	1.0
408.10321	1.8
493.17722	1.5
493.24258	6.9
511.19064	3.8
511.25366	100.0
512.18054	1.5
512.25812	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	511.303
Annotation	[1R-[1alpha(Z),4beta,4abeta,5beta(E),6alpha,8aalpha]]-[4-(Acetyloxy)decahydro-6-hydroxy-1,4a,6-trimethyl-5-(3-methyl-2,4-pentadienyl)-1-naphthalenyl]methyl ester 3-(4-hydroxyphenyl)-2-propenoic acid
Peak:m/z	Relative Intensity
54.96112	0.7
55.05499	1.8
56.41609	0.7
57.07064	1.0
67.05492	2.1
69.07041	1.2
69.64870	0.6
71.08604	1.1
71.43146	0.9
79.05491	2.9
81.07066	4.7
83.01107	1.3
83.04986	1.6
83.08658	0.8
89.06032	2.1
91.05468	3.3
93.07042	4.7
95.04969	1.8
95.08607	2.3
97.06564	0.6
105.07025	6.7
106.03953	1.2
107.08630	1.5
109.10161	1.0
111.04431	1.0
116.16726	0.7
119.08559	3.0
121.06521	0.8
121.10109	1.0
124.03968	2.3
128.27705	0.6
129.06909	0.6
131.08569	2.2
133.10133	1.8
143.08574	1.3
145.10123	1.8
147.08061	0.8
147.11673	1.2
150.06502	4.1
155.67375	0.7
157.10100	0.9
171.11754	1.3
173.09431	1.8
173.13255	1.0
217.12122	1.1
256.26474	0.9
261.17169	0.7
304.33008	0.7
323.19916	0.8
367.22223	0.9
391.26044	9.6
451.28165	77.5
452.28394	4.1
511.30283	100.0
512.30530	5.6
512.50183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.5
51.49976	0.4
53.03947	0.4
55.01857	1.2
57.07052	0.4
68.01372	0.6
68.99789	0.8
69.37602	0.7
69.38008	1.4
77.03918	0.5
79.05464	0.6
80.05027	0.4
91.05479	5.7
95.04953	1.9
97.22585	0.4
98.22654	0.7
103.05460	34.2
104.05807	0.5
104.10762	0.7
105.03365	1.4
105.04486	1.0
105.07013	2.5
110.02408	1.8
115.05444	12.2
117.07009	1.1
122.02374	1.4
124.03922	2.7
128.06203	0.5
129.06990	1.3
131.04916	72.6
132.05267	1.1
133.06473	3.1
136.03958	0.5
138.01849	0.9
140.03407	1.0
141.06958	1.4
143.04913	3.9
143.95230	0.4
145.06499	0.4
145.10001	0.5
150.01907	0.9
152.03401	0.7
153.01851	2.1
155.04932	0.7
155.06035	0.5
157.06509	1.3
160.05206	0.6
161.05972	0.5
162.01865	0.6
163.00267	0.8
164.03450	0.9
166.01355	1.8
167.02122	0.9
168.02902	1.6
169.01369	0.6
171.03166	0.5
171.04430	2.8
173.06000	0.8
174.01900	0.5
178.01338	4.4
179.03340	0.5
180.02959	1.2
181.01328	0.6
181.06541	0.6
184.05061	0.5
184.07564	0.4
185.03166	0.6
187.03882	1.2
189.05484	2.6
190.01338	3.7
190.99782	1.2
191.02068	0.7
192.02905	19.0
194.00871	0.6
196.02368	1.0
196.07527	0.4
197.05885	0.5
199.03970	0.5
202.01407	0.5
204.02957	0.7
205.01292	0.8
208.02478	2.0
208.07603	0.4
209.00746	2.0
210.03981	1.3
212.07080	2.2
213.05524	0.5
218.00809	11.0
220.02397	6.2
228.06512	1.0
229.04979	0.7
232.02330	0.6
236.01945	2.4
238.03505	0.7
241.05003	0.9
246.00380	2.3
248.01729	0.4
249.00301	0.5
252.06577	0.4
254.08240	0.6
255.06552	0.6
256.26254	0.7
257.08078	2.5
260.01749	0.8
267.06635	0.6
270.07635	1.0
276.01459	1.6
278.02921	0.7
282.07629	1.4
283.26437	0.9
294.07471	0.5
295.05948	1.5
296.09143	8.1
304.00882	0.9
306.07483	0.9
320.05310	0.4
322.07056	7.9
324.08649	3.6
334.07248	0.9
338.06042	0.4
350.06656	1.0
352.08493	0.6
362.06647	1.0
364.08334	0.8
380.07745	0.8
382.09158	0.6
408.07083	3.8
470.12070	0.9
484.14047	0.6
494.12280	0.7
511.33298	0.5
512.13361	100.0
512.50342	2.0
513.13776	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	512.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01870	0.9
55.05476	0.7
58.15536	0.6
65.03650	0.5
65.03938	6.2
67.05488	1.7
69.03437	3.1
70.06574	1.3
77.03905	0.7
79.05039	0.8
79.05479	8.1
80.04990	1.0
81.03412	5.1
81.05772	2.2
82.04178	1.3
82.06584	1.0
83.04935	0.8
85.02885	6.6
90.43291	0.6
92.04989	6.8
93.03380	0.9
94.06554	1.5
95.04962	4.2
96.04490	0.7
96.08134	7.1
97.02863	2.1
97.06527	1.9
105.04523	2.1
106.06551	42.9
107.04952	1.2
107.06828	0.8
107.08622	0.8
108.02128	0.7
108.08113	10.8
109.02879	2.2
109.05265	1.2
110.03618	1.7
122.06014	0.9
123.04418	1.3
123.06811	6.7
124.07582	26.8
125.05947	0.9
127.03924	1.2
129.46185	0.5
131.04906	1.7
132.05243	0.8
134.06009	26.2
135.11603	0.9
136.07562	3.3
137.08360	0.9
138.03082	1.4
140.04688	4.1
140.07037	1.0
151.03871	1.5
152.07057	73.8
153.05481	3.6
153.07431	0.8
155.06935	1.4
169.01279	0.6
170.08119	48.4
171.06526	4.0
171.08530	0.6
181.04942	100.0
182.05249	1.6
199.05960	2.2
200.12822	1.8
235.11057	0.7
261.17413	0.6
272.09006	1.6
273.09857	0.7
286.10733	1.5
287.08298	0.9
287.11459	1.6
288.12265	4.1
297.38025	0.7
302.10178	1.4
305.06638	1.2
314.12674	1.2
325.09183	3.9
332.13406	2.7
333.13535	0.6
343.10242	2.0
354.52036	0.7
393.44104	0.6
428.10474	1.0
465.71729	0.6
476.15494	1.5
494.16513	25.2
495.16888	1.1
512.17590	49.8
513.18097	2.9
528.79480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01870	0.9
55.05476	0.7
58.15536	0.6
65.03650	0.5
65.03938	6.2
67.05488	1.7
69.03437	3.1
70.06574	1.3
77.03905	0.7
79.05039	0.8
79.05479	8.1
80.04990	1.0
81.03412	5.1
81.05772	2.2
82.04178	1.3
82.06584	1.0
83.04935	0.8
85.02885	6.6
90.43291	0.6
92.04989	6.8
93.03380	0.9
94.06554	1.5
95.04962	4.2
96.04490	0.7
96.08134	7.1
97.02863	2.1
97.06527	1.9
105.04523	2.1
106.06551	42.9
107.04952	1.2
107.06828	0.8
107.08622	0.8
108.02128	0.7
108.08113	10.8
109.02879	2.2
109.05265	1.2
110.03618	1.7
122.06014	0.9
123.04418	1.3
123.06811	6.7
124.07582	26.8
125.05947	0.9
127.03924	1.2
129.46185	0.5
131.04906	1.7
132.05243	0.8
134.06009	26.2
135.11603	0.9
136.07562	3.3
137.08360	0.9
138.03082	1.4
140.04688	4.1
140.07037	1.0
151.03871	1.5
152.07057	73.8
153.05481	3.6
153.07431	0.8
155.06935	1.4
169.01279	0.6
170.08119	48.4
171.06526	4.0
171.08530	0.6
181.04942	100.0
182.05249	1.6
199.05960	2.2
200.12822	1.8
235.11057	0.7
261.17413	0.6
272.09006	1.6
273.09857	0.7
286.10733	1.5
287.08298	0.9
287.11459	1.6
288.12265	4.1
297.38025	0.7
302.10178	1.4
305.06638	1.2
314.12674	1.2
325.09183	3.9
332.13406	2.7
333.13535	0.6
343.10242	2.0
354.52036	0.7
393.44104	0.6
428.10474	1.0
465.71729	0.6
476.15494	1.5
494.16513	25.2
495.16888	1.1
512.17590	49.8
513.18097	2.9
528.79480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.8
69.63694	7.7
69.64025	3.2
76.60915	2.6
80.99512	2.6
85.02902	4.5
91.05480	13.4
92.33114	2.7
93.03413	11.3
93.07039	5.1
95.04960	10.0
103.05459	9.5
105.04498	2.8
105.07033	15.9
105.28214	2.9
106.04178	25.9
106.65468	2.6
107.05012	4.0
115.05460	9.7
117.07029	5.2
117.60110	2.6
121.06510	27.4
123.02628	5.5
123.05322	2.7
125.05994	6.7
131.04913	7.8
133.06480	12.3
138.06699	3.2
144.05701	12.2
145.06491	7.9
149.05965	42.2
151.02136	8.8
151.03886	4.4
151.07553	5.3
153.09091	10.4
161.05978	33.0
162.01355	9.3
163.03946	3.6
167.07039	15.6
173.05974	9.4
177.03691	11.2
177.05455	21.6
178.05989	3.0
179.01591	9.7
181.08632	16.9
189.05453	11.2
190.00789	14.0
190.84517	2.8
191.01735	2.7
191.06964	8.3
193.08617	18.9
198.80774	2.8
204.07829	15.9
205.03078	12.9
205.08556	5.8
208.01894	9.9
208.08400	3.0
209.08066	78.8
211.04131	2.9
223.04234	100.0
224.04605	3.3
232.92685	2.6
233.08125	4.0
233.96796	3.0
237.05826	29.7
247.54065	3.1
267.06805	41.6
272.19839	3.0
324.11612	3.1
394.14563	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	512.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59721	0.8
63.86378	0.6
67.05497	1.9
69.07076	1.8
70.06566	0.9
70.91338	0.9
85.02906	1.3
86.09705	0.9
92.05021	0.6
95.56104	0.7
104.87555	0.7
117.62922	0.7
119.04932	1.0
119.16202	0.7
121.02851	0.8
124.07552	0.9
138.05472	4.3
140.07068	2.0
144.06400	0.7
146.06021	2.0
166.04958	4.1
174.05478	1.5
175.03836	0.8
175.09824	1.9
191.55734	0.8
196.07542	1.1
206.08214	1.2
207.06651	1.2
208.07559	0.9
209.05937	1.4
209.10712	2.5
211.08604	1.4
211.12286	0.9
219.09126	2.3
220.07561	1.1
222.07643	1.3
222.09369	0.9
223.08623	3.2
224.09436	2.1
225.10233	2.4
235.08546	1.1
236.09427	1.4
237.10205	35.2
238.10844	2.4
239.08191	6.9
239.11752	3.8
240.08499	0.8
247.08687	2.6
248.06970	0.8
248.09396	1.5
249.10219	2.8
250.08936	4.1
251.08105	6.9
252.08902	2.9
253.09541	3.7
254.10437	0.9
255.11285	2.3
264.08871	1.3
265.09698	46.0
266.10431	4.5
267.07678	2.8
267.11261	9.5
279.07657	1.7
281.09213	5.4
282.09937	1.3
283.10782	3.1
293.09177	35.0
293.12506	1.8
294.09915	3.4
295.10706	11.0
299.10245	5.0
311.10233	42.5
312.10889	5.6
313.11835	3.9
321.08676	12.0
325.11655	1.4
339.09720	58.5
340.10245	3.1
353.11292	11.5
357.10822	0.7
371.12335	100.0
372.12872	5.4
379.86121	0.8
434.16919	0.9
452.18030	4.6
480.17621	18.8
481.17743	1.1
511.40887	1.2
511.90988	1.0
512.19220	1.1
512.25323	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	512.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52021	0.7
59.04993	1.1
67.05495	1.6
69.03415	1.3
69.87345	0.6
70.06586	2.8
72.08166	0.9
73.02911	0.8
81.03426	0.6
85.02897	1.0
86.09692	1.2
87.04465	21.1
89.05979	0.7
91.05482	0.8
95.04958	1.8
97.02870	1.6
105.07023	0.7
106.05175	0.7
114.10292	1.1
119.08537	0.8
121.02810	1.5
127.01548	2.4
130.77686	0.6
131.07047	1.8
138.05486	6.0
138.38380	0.6
139.01559	1.0
140.07056	0.7
146.05991	1.5
153.03059	3.2
157.08495	1.0
159.98228	0.6
164.03331	1.0
166.04984	4.7
168.08221	0.8
175.09686	0.7
192.08022	0.8
194.09673	0.9
197.05840	1.1
206.08229	2.3
209.10657	3.1
211.08702	2.0
219.09164	3.1
220.07654	1.2
221.10719	1.5
222.07639	1.3
222.09424	1.2
223.08646	4.6
224.09232	1.5
225.10150	2.4
235.08580	1.5
236.09413	2.2
237.10204	42.3
238.07246	1.0
238.08658	0.9
238.10733	3.8
239.08093	5.1
239.11765	4.6
247.08662	2.2
248.09406	1.8
249.10199	2.0
250.08540	3.6
251.08113	7.9
252.08923	2.2
253.09749	5.0
255.06490	1.0
255.11301	3.2
263.08188	0.8
264.08905	1.3
265.09720	48.3
266.07083	1.2
266.10312	4.5
267.07626	3.3
267.11224	10.5
269.09183	1.3
270.50705	0.7
277.09674	1.2
279.07565	3.1
280.08524	0.8
281.09158	6.1
282.09897	1.0
283.10626	2.7
293.09183	36.6
294.09915	3.1
295.10760	12.7
297.08371	1.0
299.10297	3.7
311.10226	41.7
312.10989	4.5
313.11792	3.4
321.08667	18.2
322.09125	0.8
335.15601	0.7
339.09726	77.3
340.10284	5.8
353.11310	11.1
357.10791	1.5
371.12350	100.0
372.12650	4.5
403.91693	0.8
434.17020	1.0
452.18155	6.4
462.16443	1.3
468.15570	2.3
477.20959	2.3
480.17603	22.9
481.17795	1.0
494.18982	2.0
512.13483	4.5
512.20129	2.2
513.24231	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	512.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.53034	0.5
60.05639	0.5
60.58817	0.5
67.05490	0.6
69.07072	0.5
82.07409	0.4
87.04431	0.8
93.69236	0.4
95.04971	0.6
116.67193	0.5
127.03889	0.5
138.05479	4.3
140.07103	0.4
146.06006	1.6
149.13264	0.4
166.04997	4.4
174.05510	0.9
192.08052	0.6
193.07582	0.5
194.09769	1.0
195.09167	0.8
196.07509	0.7
206.08195	0.9
209.10716	2.4
211.08620	2.1
219.09125	2.2
220.07643	0.7
220.09952	0.5
221.10716	0.8
222.07813	1.7
222.09412	0.8
223.08562	4.0
224.07169	0.5
224.09399	1.4
225.10223	1.2
235.08693	1.5
236.09421	1.1
237.10197	32.1
238.08853	0.5
238.10837	2.0
239.08151	4.3
239.11725	2.5
241.09505	0.5
247.08661	1.9
248.07013	0.5
248.09451	1.7
249.10219	1.9
249.61302	0.4
250.08949	3.7
251.08067	7.0
252.08919	2.7
253.09743	3.2
254.10448	1.5
255.11327	2.0
264.08966	1.4
265.09695	41.2
266.07971	0.7
266.10352	3.3
267.07687	3.0
267.11270	8.8
269.09250	0.7
272.92004	0.5
277.09601	1.0
279.07556	2.2
281.09204	4.5
282.09909	1.0
283.10660	2.3
293.09177	33.0
294.09891	3.3
295.10748	8.4
296.11502	0.6
298.09464	0.5
299.10336	3.8
300.10620	0.5
311.10223	35.7
312.10864	4.6
313.11816	3.5
321.05020	0.9
321.08707	11.6
322.09265	0.8
325.11835	1.2
337.03149	0.5
339.09729	58.9
340.10223	4.2
343.12698	0.5
353.11304	11.3
371.12338	100.0
372.12704	4.9
434.16687	1.6
436.18530	0.6
452.18231	4.3
453.34290	0.5
462.16318	0.9
480.17618	18.3
481.18381	0.8
512.20520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.00624	0.8
53.03945	2.0
55.01863	1.9
55.05505	12.9
57.07069	2.0
57.70794	0.7
62.13106	0.8
62.55333	0.7
64.02128	0.8
65.03917	1.8
67.05499	9.5
68.99782	0.9
69.03426	43.1
69.07056	3.3
70.55939	1.7
71.27987	0.8
78.03434	3.1
79.05495	11.0
80.05017	4.3
81.02963	1.5
81.03417	22.9
81.07055	9.9
83.04975	36.9
84.28691	0.8
91.05476	19.5
93.07034	9.7
95.04971	11.0
95.08601	7.9
96.04474	4.3
97.06522	2.8
103.05463	6.8
104.05846	0.8
105.06351	1.4
105.07027	23.4
106.02903	6.8
107.04958	2.7
107.08589	10.2
109.02895	1.7
109.06535	6.1
109.10180	1.8
111.04440	74.0
111.08119	0.9
112.04725	0.8
113.06006	1.9
115.05439	5.1
116.06187	1.3
117.07019	17.4
119.04932	1.1
119.08578	19.1
121.06519	3.9
121.10144	3.9
123.08052	3.1
124.03949	100.0
125.04353	1.3
125.05985	1.0
128.06219	5.5
129.06992	11.2
130.07767	2.5
131.04922	14.5
131.08559	39.7
131.11250	0.9
132.05281	2.1
133.05594	1.0
133.06520	3.9
133.10103	8.1
135.08034	3.5
135.11667	1.6
137.09627	1.2
141.06964	5.9
141.26208	0.7
142.07782	8.2
143.04985	1.3
143.08562	16.7
144.09290	3.4
145.06488	6.0
145.10120	30.4
146.10428	1.3
147.08051	4.8
147.11682	3.0
149.02373	2.0
149.06007	0.8
149.09610	2.0
149.13232	1.9
150.02707	1.3
153.06947	4.3
154.07686	1.2
155.04915	1.7
155.06039	1.7
155.08536	12.4
156.09372	7.2
157.06505	1.5
157.10130	17.2
158.07288	0.9
158.10869	4.6
159.08040	5.1
159.11687	12.9
161.09673	4.0
161.13242	2.5
163.07544	1.4
163.11154	2.7
163.14761	2.3
163.59625	0.9
165.07007	4.7
165.09146	3.6
166.07857	2.1
167.08603	5.9
168.09334	4.6
169.06505	1.7
169.10143	8.8
171.08052	2.4
171.11691	13.6
173.09686	5.7
173.13249	70.7
174.13544	1.0
175.11201	4.4
175.14743	1.6
177.09019	0.9
178.07805	1.7
179.08553	3.5
180.09312	2.3
181.06488	1.7
181.10100	7.5
182.10915	2.3
183.08002	1.6
183.11696	15.7
185.09595	3.2
185.13222	4.9
187.11185	1.8
189.12721	10.4
191.08601	2.3
191.10652	6.3
191.14313	5.2
192.09294	2.3
193.05006	1.2
193.10085	4.9
194.05394	1.1
194.11005	1.2
195.08006	2.1
195.11699	8.0
197.09637	2.3
197.13219	5.3
199.11195	4.2
201.12749	16.8
203.10695	1.3
203.14330	2.2
205.10129	2.0
206.10852	3.0
207.11716	3.8
209.09703	2.4
209.13176	4.5
211.11134	3.2
211.14839	1.5
213.12711	2.5
215.14270	1.2
217.10120	2.1
217.12233	2.8
219.11827	1.1
219.13791	20.5
221.13275	4.2
223.11134	2.4
223.14803	1.8
225.12697	2.3
229.12193	3.3
232.12468	1.7
235.14867	2.3
237.07559	1.6
237.12733	1.9
237.16551	1.8
239.14243	1.9
241.12199	2.4
243.13721	1.4
247.13062	2.2
247.15213	1.9
249.12682	1.1
255.13927	1.7
261.14960	1.8
265.15933	5.8
273.14844	1.9
281.15381	1.1
283.16879	4.4
293.15378	2.7
296.08908	1.0
301.17966	1.4
311.16309	9.4
329.17468	8.7
347.18585	5.2
389.19556	56.7
390.19836	2.2
393.07709	1.6
394.08316	2.1
434.19763	1.2
452.20502	2.4
498.14374	12.9
511.34570	1.7
512.15552	16.4
512.23077	3.0
512.34454	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	512.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
58.99582	2.1
63.67303	1.8
65.75621	2.1
67.05502	5.1
69.03426	22.4
69.07065	3.6
70.09562	1.8
70.13497	2.2
70.13822	4.5
71.05010	2.1
74.00655	2.8
79.05480	3.7
81.03405	3.7
81.07090	4.3
82.55801	1.8
83.04977	15.6
86.09688	2.9
88.02211	12.6
88.03960	2.9
91.05474	5.9
93.07031	2.6
95.04973	4.5
95.08611	5.2
97.06522	5.1
98.22713	2.3
100.02189	4.4
101.00603	2.5
105.07050	7.0
107.04943	2.1
107.08594	8.6
109.02888	2.8
109.06588	1.8
112.02193	3.1
112.03957	10.3
112.73501	2.2
113.06001	14.9
114.03732	1.9
115.07518	2.5
116.01672	8.3
117.07022	4.3
119.08556	9.3
126.03719	2.0
128.06189	2.7
129.06995	4.4
130.07761	1.9
131.08566	4.5
132.01140	2.7
133.10208	2.8
139.07602	2.5
142.07765	2.0
143.08554	8.2
145.10110	9.0
146.02661	4.5
147.07979	2.1
149.09618	5.4
155.08519	5.4
156.09274	2.0
157.10097	9.9
159.11713	6.2
161.09573	4.8
162.02248	2.9
167.08591	2.7
167.10683	4.2
169.10094	5.1
170.08115	3.9
171.08037	2.4
171.11649	5.5
175.09769	4.6
175.11134	3.5
181.05025	3.0
183.11673	6.2
185.13261	4.7
187.11136	7.3
187.14874	2.1
195.11674	3.4
197.13284	2.6
201.12787	2.3
207.11766	2.2
209.05939	3.8
215.49744	2.1
221.13145	1.9
228.47902	2.0
233.09970	3.2
257.15356	6.7
275.16431	7.0
295.16830	2.4
313.18082	2.8
322.14825	2.2
345.15189	2.2
388.19174	3.5
399.53320	2.2
416.19000	17.9
426.16525	2.0
434.19940	100.0
435.20004	4.8
452.20987	56.2
453.21286	5.4
512.17554	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	512.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.3
51.46288	1.1
51.65543	1.2
53.03936	3.4
55.01854	1.5
55.05511	4.2
57.07083	5.5
65.03925	1.1
67.05500	27.7
67.32131	1.1
69.03424	6.9
69.07060	3.6
69.12016	3.1
69.12436	4.6
70.06579	3.9
71.04996	7.3
71.08606	2.1
77.03906	2.2
79.05489	4.9
81.03410	2.1
81.07056	20.9
83.04981	4.9
83.08585	1.7
85.02915	1.4
85.10188	1.6
88.07631	6.8
89.06036	1.4
91.05468	8.1
93.07044	8.6
95.04965	27.1
95.08591	4.3
97.02886	19.5
97.06541	2.5
102.09171	5.7
103.05424	1.0
105.03390	87.6
105.04419	6.8
105.07011	12.1
107.08611	1.7
109.06515	3.3
111.04460	8.6
111.08060	4.0
113.06031	5.7
115.05447	1.7
117.06985	2.7
119.08576	25.7
123.04401	2.8
124.03944	6.4
125.05993	1.3
128.06195	2.3
129.07008	2.5
131.08527	7.4
133.10123	6.2
136.72841	1.1
137.05960	3.4
139.07541	2.5
141.05460	25.3
141.07059	2.3
142.07726	6.6
143.08578	8.4
144.09363	2.5
145.10126	11.8
147.08034	2.6
147.11636	1.6
149.09625	1.8
155.07030	19.8
155.08534	6.5
156.09344	5.6
157.10104	14.8
158.10905	3.5
159.08118	1.7
159.11685	12.1
161.09575	1.3
163.70340	1.1
165.07024	1.5
167.08563	4.7
167.82556	1.2
168.09335	1.9
169.10159	12.8
170.10884	4.3
171.11676	29.8
173.09566	2.4
173.13257	23.4
179.08545	3.3
180.09315	1.7
181.10126	5.6
182.10847	6.4
183.11670	11.4
183.62753	1.4
184.12411	3.6
185.13220	10.9
187.11087	3.2
192.09404	1.7
193.10127	5.9
194.10899	3.2
195.11623	7.5
196.12421	2.2
197.13246	24.6
198.13544	1.6
199.81123	1.3
201.12717	4.1
203.14296	2.0
205.10112	3.7
206.10892	3.2
207.11710	8.6
208.12485	2.3
209.13246	12.2
210.13887	1.2
211.11197	1.6
211.14766	6.9
215.14267	2.7
219.11635	4.6
220.12479	21.3
221.13278	5.8
223.11247	1.2
223.14766	3.3
225.12799	1.4
225.16425	6.9
233.13278	2.2
234.14064	5.3
234.98096	1.1
235.11261	1.6
235.14818	38.3
235.90883	1.1
236.15298	2.0
238.13550	1.4
249.16351	8.6
251.14259	2.4
253.15822	6.9
255.13857	6.8
256.26321	14.8
267.17371	3.7
269.15308	2.3
271.17050	1.4
274.27347	1.7
277.15869	4.9
280.14560	2.9
283.26328	13.9
295.16895	15.1
313.17960	100.0
314.18259	3.9
389.19678	2.3
393.27856	1.4
453.29428	2.2
512.26398	11.6
512.50336	29.5
513.24652	2.5
513.31799	6.2
520.77228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
65.03922	0.4
67.05482	0.6
67.45412	0.1
69.03427	1.8
69.07066	0.2
69.15686	0.2
69.16088	0.7
76.73238	0.1
79.05479	0.5
81.03416	1.1
81.07034	0.3
83.04993	1.3
91.05484	0.7
92.05009	1.0
93.05801	0.3
93.07036	0.7
94.06570	4.8
95.04961	0.3
95.08594	0.6
96.04504	0.5
105.07018	0.9
107.08572	0.4
109.10176	0.2
110.06039	2.1
111.04444	1.6
117.07006	0.4
119.08563	0.7
121.10168	0.4
122.91449	0.1
124.03944	1.9
129.07024	0.2
131.08568	0.6
133.10156	0.4
135.08069	0.2
138.05496	100.0
139.05841	1.5
142.07806	0.2
143.08600	0.3
145.10170	1.1
147.08066	0.2
147.11664	0.2
153.54396	0.1
154.05022	0.2
155.08514	0.3
156.09267	0.2
157.10150	0.3
159.11690	0.6
159.16855	0.2
171.11707	0.2
173.13327	0.3
175.79965	0.1
179.25804	0.1
183.11792	0.2
187.14844	0.4
191.82906	0.2
199.07945	0.1
209.13268	0.2
283.54922	0.1
512.26422	50.8
513.26715	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	512.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.05489	1.0
65.03925	0.3
67.05489	0.7
69.03428	1.8
69.87793	0.5
69.88155	0.6
78.03442	0.6
79.05475	0.4
80.05001	0.5
81.03414	0.8
81.07043	0.4
83.04973	1.7
85.02898	0.4
91.05460	0.8
92.05014	1.0
93.05750	0.3
93.07021	0.5
94.06564	3.3
95.08568	0.4
96.04494	0.7
105.07016	1.0
106.02879	0.8
110.06036	2.6
111.04442	3.5
117.07009	0.5
119.08524	0.6
124.03936	8.0
127.03966	0.3
131.08571	0.6
136.97012	0.3
138.05487	100.0
139.05844	1.6
141.06946	0.3
145.10120	0.6
146.64586	0.3
147.07935	0.4
149.09523	0.3
154.05048	0.2
156.13785	0.3
157.10173	0.6
159.07901	1.8
159.11687	0.5
171.11748	0.4
173.13268	0.6
183.11728	0.3
184.13388	0.4
185.13298	0.4
193.09981	0.3
311.16330	0.4
365.17017	0.3
434.19485	0.3
445.30646	0.3
511.42242	0.3
512.26410	51.3
513.26807	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	512.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03934	0.2
57.07072	1.4
59.04980	0.4
71.08626	1.1
71.49471	0.2
73.06547	0.3
77.03914	0.7
79.05482	4.2
81.04457	0.2
85.10173	0.7
87.04462	0.3
89.06019	6.5
91.05468	0.3
93.07047	0.6
95.04956	2.8
98.22685	0.5
99.11739	0.2
100.72929	0.2
103.05456	3.8
103.07613	0.2
105.07016	100.0
106.07345	1.4
118.08041	0.2
119.04931	0.2
121.06484	3.0
121.85285	0.2
131.08548	0.5
133.08583	1.9
146.66005	0.2
147.08041	0.6
149.83435	0.2
163.11218	0.3
165.09111	0.6
177.11215	0.6
183.10143	19.7
184.10522	0.5
191.10672	0.5
209.11600	0.2
209.13266	3.4
223.11137	0.4
225.12755	0.2
225.22931	0.2
229.32121	0.2
242.57584	0.2
243.25676	0.2
251.14369	0.6
256.26294	0.3
257.24744	0.3
283.26147	0.4
285.14838	0.4
287.16357	4.4
301.15778	0.2
313.17938	0.2
315.75443	0.2
327.16971	0.3
327.20276	0.5
389.20944	0.8
391.22665	0.3
415.03317	0.2
495.38895	0.4
512.49890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03936	0.5
57.07073	2.2
59.04988	0.4
69.42706	0.9
71.08625	1.7
73.06544	0.3
77.03914	1.0
79.05486	4.7
83.08608	0.2
85.10180	0.9
87.04461	0.4
89.06027	8.4
91.05451	0.5
92.24805	0.2
93.07037	0.5
95.04961	2.6
97.10167	0.3
98.22717	0.4
99.11711	0.3
103.05458	3.9
105.07021	100.0
106.07354	1.3
117.09125	0.2
119.04945	0.3
121.06499	3.0
131.07037	0.2
131.08577	0.4
133.08594	3.8
147.08040	0.7
165.09094	0.7
169.19560	0.2
177.11200	1.5
183.10156	23.2
184.10522	0.4
191.10684	0.7
209.11620	0.3
209.13268	4.7
213.22035	0.3
221.13824	0.3
223.11177	0.6
228.25597	0.2
251.14349	0.6
256.26498	0.2
257.24814	0.6
283.26303	0.5
285.14615	0.4
287.16382	4.5
301.15945	0.3
313.18204	0.2
327.17279	0.7
327.20480	0.4
389.21207	0.9
495.38812	0.6
512.50128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
52.19218	0.7
53.03942	1.6
55.05502	5.5
57.07065	1.5
65.03933	1.3
65.15223	0.6
67.05494	6.2
69.03429	4.5
69.07058	3.6
70.16403	0.6
77.03898	1.0
78.03436	2.9
79.05483	7.4
80.05011	4.8
81.03412	2.4
81.07056	13.9
83.04974	12.7
83.08614	1.1
91.05466	12.5
93.07031	10.4
95.04971	10.4
95.08593	10.6
96.04492	3.7
98.22698	1.3
101.30792	0.7
103.05502	0.9
105.03389	8.6
105.04502	1.6
105.07020	18.1
106.02901	6.6
106.03724	2.9
107.08579	11.9
109.06529	2.2
109.10150	5.5
111.04428	6.5
117.06981	4.7
119.08561	12.8
121.06470	0.9
121.10129	5.7
123.08009	1.0
123.11683	1.4
124.03940	100.0
125.04259	0.8
128.06174	1.0
129.07001	2.8
130.07742	1.1
131.08566	9.7
132.08936	0.8
133.10098	9.3
135.08014	1.0
135.11684	2.6
141.06929	1.1
142.07828	1.5
143.08635	4.2
144.09236	0.9
145.10106	12.9
146.10503	1.0
147.11693	7.0
149.13297	1.2
155.08534	2.6
156.09209	0.8
157.10097	4.2
158.10896	0.8
159.11687	9.3
161.09663	1.0
161.13252	2.3
163.11139	0.7
169.10095	2.6
171.11668	4.0
172.12048	0.7
173.13243	8.9
174.13556	1.5
175.14885	1.6
181.10098	1.1
183.11652	2.8
185.13217	2.4
187.14821	2.6
189.12755	1.5
189.16353	1.1
191.10666	0.9
191.14270	0.8
195.11705	2.1
197.13223	1.5
199.14845	1.6
201.12758	3.1
201.16338	4.2
213.16431	1.3
215.17960	0.8
217.12283	0.8
219.13780	1.8
225.16486	0.9
283.26239	1.0
311.16171	0.9
329.17493	0.9
347.18488	0.8
389.19504	3.8
390.19977	2.9
512.22949	1.0
512.49890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03939	0.7
55.05505	2.7
57.07067	0.7
58.78515	0.3
67.05503	4.1
67.42169	0.3
69.03416	1.4
69.07052	1.3
69.25575	2.2
71.85424	0.3
77.03935	0.3
78.03442	1.6
79.05482	5.2
80.05008	4.0
81.03400	1.5
81.07047	8.8
83.04971	4.3
91.04938	0.5
91.05476	6.3
93.07042	7.4
95.04977	2.8
95.08595	5.3
96.04495	3.1
97.02885	0.6
103.05454	0.4
105.07021	10.8
105.07725	0.6
106.02902	1.5
106.07311	0.4
107.08582	5.6
109.06501	0.9
109.10130	2.8
111.04420	1.9
111.08115	0.5
114.04137	0.4
115.05457	0.5
117.07021	2.1
119.08570	8.1
120.08898	0.7
121.06495	0.7
121.10130	3.4
123.08083	0.5
123.11738	0.6
124.03941	100.0
125.04301	1.0
127.03860	0.4
128.06149	0.5
129.06978	1.3
131.08559	3.9
132.08932	0.4
133.06516	0.3
133.10115	4.8
134.10452	0.7
135.08066	0.7
135.11659	2.0
136.08397	0.5
139.11049	0.4
141.06990	0.7
142.07744	0.4
143.08574	2.4
145.10124	5.6
146.10448	0.8
147.08014	0.5
147.11707	3.7
148.11964	0.5
149.13284	1.0
155.08542	1.3
156.09300	0.8
157.10136	2.2
159.08025	0.5
159.11725	4.5
161.13257	2.7
168.09334	0.3
168.46434	0.4
169.10115	1.3
170.10789	1.0
171.11641	1.6
173.09578	1.0
173.13297	3.9
174.10028	0.6
174.13565	0.6
175.11086	0.5
175.14867	0.8
181.10126	0.5
183.11633	1.4
184.12056	0.5
185.13255	1.4
186.13620	0.5
187.14903	2.0
188.11725	0.4
188.15224	1.0
189.12555	0.5
195.11737	0.6
197.13152	1.2
198.13654	0.9
199.14766	1.1
201.12738	1.1
201.16344	2.0
209.13300	0.6
211.14912	1.0
212.15121	0.7
213.16292	0.8
215.14304	0.6
216.14656	0.5
217.15030	0.7
221.13162	0.4
225.16431	0.6
229.15776	0.6
231.16571	0.5
232.10362	0.6
235.14963	0.6
236.15186	0.5
237.15654	0.5
249.16492	0.4
250.12747	0.4
255.21202	0.6
295.17032	0.5
296.17255	0.9
297.17557	1.6
313.17978	2.6
314.18320	2.9
315.18542	5.6
373.20074	1.2
374.20276	2.4
375.20697	7.9
389.19424	1.7
512.27618	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	512.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03954	0.9
54.69636	0.9
55.05501	7.3
63.12003	0.9
65.03921	1.3
67.05497	10.2
69.07056	3.9
69.25864	4.5
77.03901	1.6
78.03438	2.6
79.05485	12.9
80.05004	3.5
81.07053	25.2
83.04978	16.0
83.08604	1.4
84.72513	1.0
91.05477	16.3
93.07036	21.2
95.04974	11.1
95.08601	14.5
96.04479	3.5
97.06523	1.7
105.04481	1.1
105.07023	29.2
106.02902	4.7
107.07924	1.6
107.08588	17.0
109.06477	1.3
109.10149	7.1
115.05414	1.3
117.06995	5.7
119.08569	18.9
121.10129	7.6
123.11695	1.7
124.03946	100.0
125.04279	0.9
128.06203	1.1
129.06963	2.7
130.07755	1.9
131.08556	9.9
133.10115	12.4
135.11649	3.5
135.66051	0.9
142.07802	1.7
143.08546	4.0
144.09274	1.1
145.10107	14.3
147.11668	8.8
149.13211	1.4
155.08496	1.3
157.10088	5.2
158.11005	1.1
159.11658	9.6
161.13246	5.2
169.10185	2.5
171.11646	3.4
173.13229	4.6
175.14821	2.2
183.11633	1.8
185.13264	3.1
187.14810	3.8
189.16339	1.1
197.13277	1.9
199.14856	2.2
201.16409	6.0
213.16359	2.4
267.20908	0.9
303.06641	0.9
380.84436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05505	4.2
62.27486	0.5
65.03954	0.6
66.82198	0.4
67.05498	5.2
67.91089	0.5
69.03428	1.2
69.07056	2.1
77.03925	0.7
78.03464	3.0
78.03834	0.5
79.05484	5.8
80.05025	5.0
81.07052	11.6
83.04977	9.0
83.08595	1.0
91.04943	0.7
91.05479	8.8
93.07043	10.5
95.04967	6.6
95.08604	7.3
96.04496	2.9
97.06549	1.4
104.42769	0.5
104.79192	0.5
105.07019	15.3
106.02911	4.2
107.08591	8.4
109.06496	1.2
109.10166	3.8
111.04480	0.9
115.05428	0.7
117.07006	2.1
119.08582	9.8
121.10128	5.2
123.11709	1.3
124.03946	100.0
125.04244	0.7
128.06204	0.8
129.07013	1.4
131.08575	6.0
133.10132	6.3
133.14096	0.5
135.11673	2.3
142.07739	0.9
143.08589	2.8
145.10117	9.4
147.11655	3.6
149.13261	1.1
155.03674	0.5
155.08557	0.8
156.09322	1.1
157.10092	2.8
159.11674	5.9
161.13297	2.4
169.10210	0.7
171.11676	1.9
173.13263	3.7
175.14813	1.5
183.11684	1.2
185.13283	1.7
187.14822	2.3
189.16431	1.2
196.12415	0.7
199.14847	1.5
201.16353	3.2
211.14862	0.6
213.16322	1.0
215.18039	0.5
225.16214	0.8
227.17889	0.9
267.21066	0.6
389.19614	0.9
400.61694	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19695	0.6
55.05494	2.4
57.07071	46.9
65.08024	0.6
67.05491	1.2
69.03440	0.6
69.07064	3.8
69.16747	1.8
69.17155	1.7
70.06581	5.6
71.08626	32.1
73.02891	0.7
73.06553	7.6
81.07058	1.5
83.08606	2.5
85.10175	21.0
87.04464	4.9
88.07628	7.3
89.06022	100.0
91.07561	1.0
95.08598	2.1
97.10161	3.6
99.11710	3.6
102.09174	6.3
105.06998	2.1
105.07667	0.5
107.07050	2.2
111.04411	0.8
111.11728	2.8
112.47165	0.6
113.13312	1.9
113.75201	0.6
117.09109	3.3
124.03949	1.5
127.14777	1.1
130.08627	2.1
131.07047	0.9
131.08577	0.7
133.08591	46.3
135.10213	0.8
151.09558	0.9
169.19478	3.9
177.11206	17.8
195.12341	0.9
213.20270	0.6
213.22122	3.6
221.13866	1.9
228.23245	1.4
229.27325	0.6
238.63638	0.6
239.14807	2.9
252.78809	0.7
256.26318	14.6
257.24695	6.4
274.27402	1.5
283.17642	1.4
283.26300	18.1
301.27246	4.1
311.29303	1.1
321.93674	0.6
327.20065	7.7
328.20248	0.7
398.34573	0.6
407.33603	1.0
409.51581	0.6
451.36063	1.0
495.38876	8.8
512.42572	1.6
512.50305	29.4
513.50586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42643	1.2
55.05499	4.9
57.02231	1.2
57.07072	50.7
59.14692	1.3
59.78700	1.2
59.91429	1.0
67.05519	1.6
69.07069	6.5
69.74308	4.7
70.06593	7.6
71.08630	35.7
73.06554	7.3
78.98639	1.3
79.05514	2.4
81.07055	2.2
83.08603	3.7
85.10173	21.3
87.04465	4.6
88.07619	14.5
89.06023	100.0
93.07008	1.6
95.08604	4.4
97.10162	4.5
99.11717	2.8
102.09165	11.6
105.07014	6.7
107.07056	3.6
109.10127	1.4
111.11687	3.0
113.13293	1.5
117.09137	3.8
119.08501	1.6
124.03937	6.5
131.08585	1.8
133.08595	52.2
162.21794	1.1
163.33908	1.6
164.26649	1.4
168.22012	1.2
169.19493	1.9
173.13284	2.1
176.14297	1.3
177.11212	18.9
193.08246	1.3
203.17723	1.4
213.22182	2.8
216.74431	1.5
221.13805	4.1
228.23352	2.2
239.15092	1.4
256.26328	30.9
257.24686	8.5
274.27441	3.0
283.17422	1.7
283.26285	30.8
301.27347	3.6
311.29578	3.2
327.20074	10.5
389.18939	1.3
495.38623	8.6
512.50311	66.8
513.50812	1.7
539.68689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96295	0.4
54.05185	0.4
55.05509	2.2
57.07073	17.0
57.07336	0.5
58.06564	1.6
67.05502	2.6
69.07066	3.0
70.06588	15.8
70.72021	0.5
71.08624	10.1
72.08141	0.5
73.02879	1.4
74.06036	0.5
79.05479	0.4
81.07050	3.4
83.08606	3.3
85.10174	4.9
87.04432	0.4
88.07622	26.2
89.06000	1.4
95.08595	4.0
97.10138	1.5
99.04449	0.8
102.09175	20.5
102.90284	0.4
106.08613	1.2
108.67160	0.4
109.10117	1.1
133.08559	0.5
142.06331	0.4
153.40685	0.4
212.23654	1.2
228.23232	4.6
232.14095	0.4
256.26331	73.6
257.26706	1.2
274.27374	6.2
283.26291	82.9
284.26596	1.7
311.29361	3.7
346.36249	0.4
512.50342	100.0
513.50763	4.2
524.19391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16870	1.2
67.01864	3.2
67.05499	1.6
68.99802	4.8
70.06605	2.0
71.42242	1.5
79.05535	1.5
79.06129	1.4
81.03412	1.7
83.04942	1.4
91.05471	19.6
95.01348	4.2
95.04976	4.0
103.05465	56.9
104.05812	11.2
105.03376	4.2
105.04533	1.8
105.07040	8.6
108.65249	1.2
110.02374	1.9
115.05450	37.5
115.06226	2.6
116.05780	3.1
117.07014	2.5
121.02837	1.6
122.02442	1.5
123.00766	2.6
124.03938	13.9
129.06987	3.3
131.04921	100.0
131.08525	1.4
132.05254	21.0
133.06477	2.8
135.00797	2.6
141.06975	2.6
143.04918	32.7
144.05305	1.9
147.00760	1.4
149.02357	1.6
150.78206	1.4
153.01884	4.0
155.04912	4.6
157.06514	6.7
159.11742	1.8
163.00275	20.8
165.01857	1.7
171.02989	1.6
171.04350	2.4
177.01903	5.8
178.01372	2.9
178.99814	3.4
179.01611	1.3
181.01335	6.6
183.04420	6.1
185.06000	2.7
189.05394	1.8
190.01373	2.8
190.99741	41.8
192.02933	16.5
193.03250	7.5
197.00815	8.5
201.05563	1.9
202.99765	7.1
205.01299	26.1
208.02681	1.9
209.00803	67.3
211.03926	8.3
218.00838	6.9
219.01195	4.0
220.02467	3.1
221.02786	1.6
229.04947	19.9
230.99271	9.0
236.01891	2.1
249.00272	14.4
253.04869	3.2
256.26385	3.0
257.08072	6.9
265.04761	2.0
267.01462	5.2
267.06485	21.0
267.09113	1.3
276.99930	4.1
283.05807	7.9
283.26474	2.3
289.04950	2.9
293.04507	4.9
295.00922	4.2
295.05957	43.2
295.09097	2.7
296.09216	3.3
297.09610	4.0
309.07611	4.2
319.05969	1.7
322.07190	1.9
323.07477	4.6
325.09283	1.7
335.05524	2.7
337.07187	1.9
347.05423	1.7
353.06699	5.0
363.04819	8.5
365.06772	2.1
371.12744	11.0
381.06061	6.9
391.04770	1.9
397.10657	4.8
409.05731	7.0
427.06689	6.5
439.11963	5.7
449.10233	11.0
467.11121	12.6
485.12433	5.5
495.10837	5.7
512.13489	3.3
512.34216	2.5
512.50653	6.4
513.13690	98.5
513.50281	1.5
514.14056	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	513.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.4
67.01884	3.0
68.99789	7.4
69.46622	1.5
69.90260	4.3
76.55545	1.4
79.01859	1.8
81.03419	2.4
91.05482	37.7
91.06055	1.8
92.99771	1.7
95.01336	3.6
95.04967	5.5
103.05467	49.9
105.03413	8.8
105.04480	1.4
105.07043	5.7
115.05455	100.0
116.05765	1.9
117.07056	1.7
123.00822	2.4
127.05431	1.9
128.06215	2.5
129.06975	10.7
131.04926	87.6
131.44844	1.5
132.05284	2.5
133.06468	2.5
135.00775	2.6
138.05490	12.7
139.05565	2.1
141.07005	2.1
143.04924	76.1
144.05260	1.4
145.06509	2.7
149.02338	2.1
153.01875	7.5
153.07036	1.8
155.04929	15.4
155.05998	3.0
157.06477	10.9
158.18642	1.5
163.00272	27.6
165.01828	4.5
165.06989	2.2
169.06532	2.0
175.03935	2.3
177.01825	7.0
178.99741	7.2
179.11226	1.5
181.01347	9.6
181.06577	1.9
183.02895	3.5
183.04396	19.4
185.06024	5.3
190.60741	1.4
190.99747	75.1
193.06517	2.0
197.00804	8.2
197.06091	3.1
201.05533	3.0
202.99782	7.1
205.01308	25.7
209.00813	74.6
211.03873	26.5
213.05515	5.8
221.00897	2.6
221.05957	4.9
225.05563	4.6
227.07095	1.6
229.04970	45.2
229.07159	3.1
230.99225	18.7
233.00848	4.5
237.05507	4.9
239.07057	3.4
243.06599	1.4
249.00319	20.6
249.05551	3.4
253.05067	4.7
257.04260	1.8
257.08167	13.7
265.04977	6.8
267.01428	4.7
267.06497	51.6
268.06894	2.5
269.08118	2.4
271.06006	1.9
276.99847	5.0
283.05911	8.6
289.04977	5.8
291.06390	2.6
293.04462	12.7
295.00931	2.8
295.05997	54.6
307.05966	2.7
309.07648	5.0
317.04480	4.7
319.05872	2.8
321.04172	3.4
335.05652	8.1
337.07056	3.0
345.03967	5.2
347.05450	4.2
353.06674	9.2
363.04968	19.3
365.06699	1.8
371.12805	20.8
381.06015	11.4
391.04456	3.0
397.10449	9.6
399.12415	2.4
409.05670	8.4
421.10730	3.0
427.06757	5.7
439.11752	12.6
449.10287	21.4
451.12106	3.3
467.11285	28.7
485.12305	8.5
495.10736	10.3
512.26062	2.0
513.11932	11.9
513.26605	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	513.138
Annotation	Gemixanthone A
Peak:m/z	Relative Intensity
55.59060	1.5
68.59316	1.4
69.03419	1.8
69.37941	2.6
69.38332	4.8
70.06577	5.4
72.08160	1.9
73.04778	1.2
83.04971	1.5
84.04478	3.6
86.09692	1.4
86.83582	1.3
96.31947	1.3
98.97569	3.3
100.09230	1.4
105.06998	1.6
107.04960	1.6
112.93970	1.6
122.74184	1.3
149.31943	1.1
205.05295	2.5
207.60355	1.3
223.06398	2.3
253.90349	1.5
265.07437	5.2
283.08478	7.3
300.08466	3.2
305.02588	2.6
307.08420	2.2
317.11020	1.5
349.09509	2.7
435.20013	3.2
453.21161	2.5
463.10504	1.7
469.14371	4.5
495.17377	3.6
513.13794	100.0
514.14008	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99165	1.9
56.96586	4.0
61.08472	2.2
65.24683	2.1
70.06613	3.9
71.40813	2.5
97.45135	2.0
98.97581	19.1
104.13310	2.0
110.97543	2.1
116.98610	6.6
130.04955	2.0
131.00133	2.2
137.19847	2.1
147.04297	2.2
158.99611	2.3
159.03050	2.1
171.84637	2.2
173.11440	2.3
210.50061	2.3
223.06313	3.0
226.08615	2.8
237.02666	2.7
241.07549	3.2
242.89030	2.3
247.09445	4.1
265.07394	3.6
265.11072	4.1
271.05945	7.0
283.08673	3.3
283.12082	5.2
297.83630	2.8
300.08722	2.2
307.12137	4.2
312.10986	2.2
325.13132	4.3
340.10086	3.4
367.10828	4.1
372.12775	3.6
409.11530	3.7
417.33356	2.5
427.16501	17.2
445.17477	12.9
469.13354	15.5
495.17551	2.6
513.13916	100.0
513.16779	92.6
514.13690	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	513.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59060	1.5
68.59316	1.4
69.03419	1.8
69.37941	2.6
69.38332	4.8
70.06577	5.4
72.08160	1.9
73.04778	1.2
83.04971	1.5
84.04478	3.6
86.09692	1.4
86.83582	1.3
96.31947	1.3
98.97569	3.3
100.09230	1.4
105.06998	1.6
107.04960	1.6
112.93970	1.6
122.74184	1.3
149.31943	1.1
205.05295	2.5
207.60355	1.3
223.06398	2.3
253.90349	1.5
265.07437	5.2
283.08478	7.3
300.08466	3.2
305.02588	2.6
307.08420	2.2
317.11020	1.5
349.09509	2.7
435.20013	3.2
453.21161	2.5
463.10504	1.7
469.14371	4.5
495.17377	3.6
513.13794	100.0
514.14008	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39338	2.7
55.41058	2.4
56.96560	8.1
69.53231	2.6
70.06572	8.1
71.42326	2.7
72.08128	2.2
80.61682	2.4
84.04568	2.8
84.96046	3.2
86.09737	3.2
98.97570	22.4
102.58945	2.4
104.06234	2.8
116.98637	7.6
128.98648	3.1
145.01596	3.1
158.99681	3.2
183.03163	3.4
201.04398	3.2
205.05312	3.7
222.97598	2.4
223.06395	8.2
237.02814	4.5
247.09488	3.0
265.07385	6.1
283.08597	4.2
283.12167	4.1
294.09537	4.2
301.13190	4.1
306.98273	2.7
307.12173	4.6
312.10541	4.1
325.13110	3.4
339.09531	5.0
340.10068	8.2
367.10489	6.7
371.12607	3.8
372.12567	7.9
427.16534	17.7
445.17438	15.9
469.13669	22.9
481.17770	4.8
513.13959	86.6
513.16925	100.0
514.17285	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	513.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01213	1.7
53.03942	3.6
55.01862	2.0
55.05502	10.5
57.07067	2.9
58.62210	1.3
60.77300	1.3
61.66459	1.4
62.37316	1.2
65.03934	1.7
67.05493	6.7
69.03061	2.8
69.03423	36.9
69.03800	2.0
69.07064	2.9
71.04981	1.9
77.44685	1.3
78.48746	1.3
79.05499	8.4
81.03418	17.5
81.07069	14.0
83.04979	32.7
83.08616	1.6
91.05470	19.7
93.07043	10.7
95.04961	9.1
95.08596	11.3
96.31469	1.5
97.06550	2.0
102.09206	2.2
105.07021	20.8
107.04952	2.5
107.08592	10.7
108.79202	1.4
109.06510	5.0
109.10104	2.3
111.04436	54.5
112.04744	1.5
112.44562	1.4
113.05996	1.6
115.05470	1.7
117.07014	14.0
117.59613	1.5
119.04937	2.0
119.08570	17.3
121.06466	1.6
121.10114	2.8
123.08063	2.6
124.03950	25.0
125.04313	3.4
126.45891	1.6
128.06226	4.0
128.16890	1.6
129.07018	7.4
130.07774	1.5
131.08549	37.8
132.68179	1.4
133.06442	2.2
133.10091	9.4
135.08054	3.1
141.06995	3.9
142.07759	6.0
143.08553	15.4
144.09363	2.1
145.06543	2.7
145.10118	26.8
146.26489	1.7
147.08078	3.1
147.11682	6.1
149.09607	2.9
153.07079	1.6
155.08551	8.7
156.09331	4.4
157.10083	13.0
158.07211	2.4
158.10916	3.2
159.08073	4.2
159.11678	10.5
161.09619	3.2
163.14812	1.8
165.07011	3.2
165.09094	2.1
166.07756	3.1
167.08559	3.2
168.09393	4.9
169.10117	6.9
170.10803	1.5
171.08086	2.5
171.11668	11.6
173.09700	3.9
173.13243	59.1
174.13576	3.0
175.11224	2.6
175.14841	2.6
177.12785	1.9
179.08595	3.6
181.06480	1.6
181.10115	6.1
183.11684	12.8
185.13257	4.0
187.11185	1.9
189.12697	10.3
191.08623	2.1
191.10703	5.2
191.14265	3.7
193.10143	4.3
194.10651	1.7
195.08092	1.8
195.11714	6.2
197.09593	2.3
197.13298	4.5
199.11177	6.3
201.12695	15.2
206.10976	2.0
207.11604	2.4
209.09575	2.4
209.13321	3.5
215.14427	1.6
217.10170	2.3
217.12227	3.7
219.11786	2.2
219.13754	20.4
221.13333	3.2
223.11147	2.3
225.12837	1.9
229.12202	1.8
237.16486	3.5
239.14302	1.6
247.13121	3.7
249.12810	2.0
255.17505	1.8
256.26382	3.4
265.15900	5.0
283.16904	4.5
283.26379	4.1
311.16473	8.9
323.16180	7.0
329.17441	5.9
347.18365	4.9
358.85715	1.7
389.19565	100.0
390.20007	5.8
411.17688	8.7
512.50397	6.9
513.24542	75.3
513.50757	3.9
514.24896	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2476
Annotation	Bisphenol A glycidylmethacrylate
Peak:m/z	Relative Intensity
55.05500	2.2
57.07067	1.3
67.05492	1.8
68.05650	0.5
69.03413	4.3
70.06582	1.0
70.48308	0.5
71.08627	0.7
79.05489	1.5
81.03383	3.0
81.07039	1.9
83.04968	3.5
88.07608	1.7
89.06049	0.6
91.05479	2.1
93.07033	2.3
95.04947	1.7
95.08583	2.8
97.06513	0.6
102.09226	1.0
105.03381	3.1
105.07009	4.5
106.20697	0.5
107.08568	2.2
108.38186	0.5
109.06509	0.6
109.10139	1.1
111.04446	4.2
111.08043	0.7
117.07030	0.9
119.08546	3.8
121.06494	0.5
121.10164	1.2
124.03939	2.6
128.06172	0.7
129.06998	1.5
131.08545	3.5
133.10132	2.4
135.11716	0.6
139.03680	1.7
142.07816	0.8
143.08516	1.5
145.10086	3.1
147.08017	0.6
147.11633	1.0
155.08525	1.1
156.09355	0.9
157.10130	1.9
159.11665	1.9
161.13226	0.6
167.08618	0.6
169.10132	1.6
170.11008	0.7
171.11661	1.8
173.09633	0.6
173.13284	1.3
174.13631	0.6
175.14667	0.5
181.09999	0.6
183.11723	2.0
185.13321	1.0
187.14804	2.7
194.10852	0.5
196.12419	0.7
197.13281	1.3
205.15759	0.6
207.11758	0.6
209.13147	0.8
211.14856	0.6
215.14320	1.0
220.12430	0.5
223.15077	0.6
225.16388	0.5
239.17952	0.6
249.16333	0.7
249.74748	0.6
256.26328	2.2
267.17618	0.8
274.27179	0.7
277.15817	1.1
281.88028	0.6
283.26306	2.9
295.16837	1.8
313.17865	3.3
331.19147	0.6
337.17789	2.3
512.50189	4.8
513.24524	100.0
513.49951	2.8
514.24829	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	513.2467
Annotation	Asn His Lys Asp
Peak:m/z	Relative Intensity
55.05498	1.9
67.05497	1.6
69.03435	4.3
69.07066	0.6
71.43974	0.6
76.72675	0.4
79.05485	1.1
81.03413	2.6
81.07053	2.3
83.04970	2.3
88.07647	0.5
91.05460	2.2
93.07042	1.9
95.04946	0.8
95.08617	1.9
98.77205	0.4
105.03391	1.7
105.07050	2.5
107.08591	1.1
109.06545	0.6
109.10152	0.9
111.04453	3.6
117.07036	0.8
119.08580	2.1
121.10146	0.9
124.03953	1.2
131.08568	2.2
133.10126	1.3
135.08157	0.6
135.11749	0.6
137.93896	0.6
139.03648	1.7
142.07765	0.7
143.08546	0.9
145.10147	2.0
147.11610	0.8
155.08553	0.7
157.10141	1.1
159.11690	1.3
161.09702	0.5
167.08527	0.7
169.10025	0.7
171.11664	1.0
173.13371	0.8
181.10052	0.7
183.11641	1.1
185.13341	0.5
187.14836	2.1
211.14912	0.5
256.26468	0.7
295.16895	1.1
313.17932	1.4
337.17740	1.8
365.70764	0.5
453.22552	0.6
503.97800	0.6
512.50470	1.9
513.24561	100.0
514.24994	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	513.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
67.05510	1.1
69.03393	0.4
69.47327	0.4
79.05486	1.7
79.96601	0.4
81.07064	1.7
83.05001	1.9
88.07636	0.7
89.06071	0.5
91.05492	1.7
92.05005	1.6
93.05363	0.5
93.07048	2.1
95.04948	0.9
95.08601	1.0
102.55038	0.4
105.07024	5.0
106.07400	0.5
107.08580	1.4
107.37679	0.4
111.04453	0.5
117.07027	0.7
119.08608	1.1
120.04465	11.0
121.04818	2.7
121.10149	0.6
124.03944	0.8
131.08522	1.0
133.10161	1.2
142.07777	0.4
145.10123	0.6
157.10065	0.5
159.11725	0.7
173.13316	0.4
220.17628	0.4
234.25116	0.4
256.26450	1.0
257.27051	0.5
283.26306	0.5
284.26813	0.5
307.53757	0.4
316.19849	1.2
322.75781	0.4
322.79758	0.4
393.27631	9.1
394.28131	1.0
453.29736	29.1
454.30267	2.4
512.50409	1.6
513.31934	100.0
514.32318	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
58.35258	0.4
69.07060	0.6
69.26484	2.5
79.05489	1.1
81.07063	0.8
83.04975	1.1
90.45586	0.4
91.05459	0.6
93.07040	1.4
95.08641	0.4
96.30023	0.4
96.69261	0.4
105.07021	2.7
107.08589	0.9
107.33064	0.4
119.08563	0.8
129.14149	0.4
145.10141	0.6
175.91177	0.4
176.06181	0.4
217.11942	0.5
311.31158	0.4
347.80389	0.5
393.27618	6.5
394.27673	0.7
403.96463	0.4
453.29715	19.1
454.29944	1.0
513.31842	100.0
514.32318	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	514.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49591	1.6
67.05496	2.4
68.05038	2.5
69.03422	2.5
69.07064	10.4
69.53949	5.3
70.06590	14.2
72.08151	2.9
79.05499	2.1
81.07084	1.4
84.08126	2.4
86.09686	3.5
93.61388	1.3
94.06561	14.1
95.04974	3.2
97.02885	1.6
97.06581	1.1
98.06074	2.3
98.23436	2.4
102.41720	1.4
105.05766	1.9
108.04470	27.7
110.07153	6.5
112.07626	4.4
121.02858	2.0
122.06021	51.8
123.04447	2.9
124.07587	2.3
125.07053	1.6
137.06013	1.8
138.05507	1.8
140.07054	98.2
144.04463	2.6
145.05217	6.0
146.05994	45.1
147.04401	1.7
150.05498	3.6
151.19159	1.3
156.07652	3.9
159.09177	5.6
162.05504	2.8
167.07133	2.1
168.06549	23.2
171.01178	1.6
172.03911	14.9
173.04695	12.2
174.05489	71.3
175.05881	2.3
176.07088	2.5
191.05731	13.5
192.06544	5.1
196.06067	1.7
204.06552	18.7
206.08125	12.9
213.08597	1.5
225.10233	4.7
238.10849	1.7
239.11807	2.8
241.09894	2.3
253.09665	3.4
267.11084	4.3
281.09299	5.9
285.12296	14.8
295.10760	5.5
297.12323	4.0
299.10321	11.8
300.10516	1.5
311.10562	2.2
312.10336	1.9
313.11810	64.8
314.12164	2.3
323.10251	5.3
324.11099	4.2
331.12851	11.1
341.11298	46.6
345.14594	2.2
352.22266	4.0
356.13531	2.6
373.13763	9.3
438.20874	1.5
440.18256	10.8
464.18112	3.4
482.19193	100.0
483.19421	4.0
496.20386	5.4
500.20166	4.9
514.23511	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	514.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01873	0.3
55.05497	1.1
56.77900	0.3
59.04994	0.4
65.03942	0.2
65.65085	0.2
67.05500	0.9
69.03427	0.5
69.07056	0.6
69.31261	0.2
70.63014	0.3
71.05000	0.3
74.47791	0.3
78.03442	3.4
79.05495	1.3
80.05011	4.4
81.03391	0.5
81.07044	0.9
83.04945	0.4
83.08593	0.3
87.04488	0.4
89.06035	0.4
91.05465	1.2
93.07034	1.2
95.04958	0.7
95.08604	0.9
96.04490	4.5
96.08144	1.2
97.02879	0.7
97.06509	1.8
97.72250	0.3
99.04450	0.2
102.43601	0.2
105.07038	1.9
106.02908	8.5
107.04940	0.6
107.08580	0.4
109.06527	0.5
111.04412	0.5
111.08089	0.4
113.06017	0.9
115.05445	0.6
117.07014	0.9
119.04901	0.2
119.08587	1.7
121.02870	1.0
121.06487	0.6
121.10096	0.4
123.04490	0.3
123.08023	0.6
124.03944	100.0
125.04246	1.5
125.05978	0.6
127.03876	0.3
129.06992	0.5
131.04922	0.3
131.08575	1.2
133.06575	0.6
133.10129	0.9
135.04396	0.5
137.09634	0.3
138.05484	0.5
140.40147	0.3
141.09125	0.4
142.07751	0.3
143.08560	0.8
145.06500	0.4
145.10121	1.3
147.04372	0.6
149.05945	0.3
149.09674	0.3
155.08565	0.8
156.09229	0.4
156.10315	0.3
157.10114	1.3
159.08073	0.3
159.11629	1.5
161.02292	0.4
163.03906	0.8
163.07480	0.3
164.03387	0.4
165.01833	0.4
169.08652	0.3
169.10112	0.9
170.10905	0.3
171.11673	1.0
173.09573	0.4
173.13287	0.9
175.11172	0.3
181.10016	0.4
183.11697	0.8
185.09581	0.5
185.13203	0.5
187.14809	0.4
192.09117	0.3
193.10112	0.4
195.11682	0.6
197.13254	0.6
199.11278	0.4
207.11728	0.5
209.09491	0.3
209.13319	0.7
210.13603	0.3
211.14809	0.6
216.06360	0.3
219.06503	0.4
219.13725	0.3
220.12466	0.4
235.14886	0.9
239.05563	0.3
247.06047	1.1
249.16536	0.3
251.14204	0.3
258.05716	0.3
259.09659	0.6
265.07114	1.0
267.17487	0.4
283.08261	0.5
295.16739	0.3
313.06989	3.7
313.18045	0.9
331.18924	0.7
335.09030	0.8
348.08578	1.3
361.06805	0.8
376.11649	0.3
378.13480	0.5
408.10620	0.5
408.21683	1.0
418.19925	0.5
426.22772	1.0
436.13959	1.9
436.21094	1.2
451.17462	0.3
454.14944	1.2
454.22214	2.8
455.22556	0.3
461.15945	0.3
468.16507	7.8
469.16693	0.8
472.23053	0.7
479.16953	0.6
482.14392	0.7
497.18149	0.7
514.17456	1.6
514.24292	28.7
515.24866	2.1
517.91138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58018	0.2
53.03934	0.3
54.75211	0.2
61.40176	0.2
69.63364	0.2
69.63715	0.8
78.03465	1.1
80.05009	3.9
96.04490	2.7
101.35760	0.2
124.03941	100.0
125.04306	1.3
140.03319	0.2
266.77072	0.2
271.97607	0.2
313.17972	0.3
361.61823	0.2
365.32361	0.2
514.24310	8.6
515.24841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19816	0.7
53.68680	0.6
55.05488	1.3
55.87024	0.5
57.03411	0.5
57.07058	0.9
57.28412	0.6
64.82541	0.6
67.05493	1.8
67.22089	0.6
69.07043	0.9
69.09573	4.5
78.03452	10.3
79.05473	2.0
79.73927	0.5
80.05016	5.0
81.03426	0.9
81.07042	3.0
83.04964	1.0
85.02887	0.8
86.07446	0.6
88.38406	0.5
90.45177	0.7
91.05486	3.3
91.74871	0.6
93.07029	2.7
95.04993	0.9
95.08606	3.9
96.04490	5.2
97.02849	0.7
98.91577	0.6
105.07017	8.0
106.02907	21.8
107.08585	3.6
109.06493	1.2
109.10147	1.5
111.04436	1.2
114.67168	0.7
117.06981	2.0
119.08576	12.5
121.10138	2.6
124.03943	100.0
125.04277	1.7
127.03870	1.3
128.06276	0.6
129.06966	1.5
130.07733	0.9
131.08589	4.3
133.10123	7.1
135.08047	1.5
142.07776	2.0
143.08548	3.4
144.09334	1.3
145.10112	16.9
147.08058	1.1
147.11674	2.8
155.08546	1.6
156.09366	1.2
157.10103	6.4
158.10901	1.0
159.07982	1.0
159.11685	11.4
160.12425	1.0
161.13232	5.3
167.08530	0.7
169.10086	3.3
170.10898	6.2
171.11674	4.1
172.12424	2.6
173.13274	2.7
175.11165	1.1
175.14842	0.7
181.10097	1.2
183.11723	3.6
184.12448	1.6
185.13269	8.8
187.14803	25.1
188.15318	0.9
189.12804	0.7
193.10193	1.4
194.10860	1.0
195.11636	0.8
197.13217	1.8
199.14830	3.8
201.16354	2.4
202.17159	1.2
203.14246	3.9
207.11668	1.5
209.13211	1.0
211.14822	1.3
220.12451	0.9
221.13251	0.7
225.16376	1.7
227.10585	0.6
235.14864	1.7
249.16409	1.1
253.15831	1.8
285.18634	0.8
295.16815	1.7
313.18021	2.5
331.18958	7.4
399.54196	0.6
436.21103	1.3
454.22128	1.7
455.20386	5.0
514.24329	95.9
515.22931	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	514.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79482	0.9
51.02360	1.6
55.01868	1.3
55.05493	1.3
67.05495	3.6
68.84995	0.9
69.03418	2.8
69.07069	2.6
70.91981	1.5
73.02850	1.1
78.03448	14.4
79.05492	4.8
80.05000	1.4
81.03416	0.9
81.07043	3.7
83.04975	1.6
87.04451	1.6
91.05472	3.4
93.07018	4.3
95.04940	4.6
95.08598	3.5
96.04474	3.7
97.02902	2.2
97.06525	8.0
98.06850	0.9
105.07015	6.5
106.02183	2.0
106.02905	38.8
107.04945	2.2
107.08590	4.7
109.06512	5.2
111.04417	1.9
117.07001	2.0
119.08568	6.2
121.02857	2.0
121.06507	3.2
121.10146	1.5
123.08052	5.8
124.03943	45.0
125.06005	2.5
128.64563	0.9
129.07016	2.1
131.08533	4.7
133.06482	2.5
133.10130	3.8
135.04402	1.3
135.08014	1.6
137.05968	1.6
138.05507	4.9
139.05843	1.3
143.08542	4.0
145.10078	4.2
147.04379	1.3
147.08043	1.0
147.11659	2.0
149.06078	1.2
149.09636	4.5
151.07559	2.0
153.05399	1.4
155.08505	2.0
156.09335	1.7
157.10135	5.5
159.08084	1.1
159.11697	4.9
161.06013	1.6
161.09607	1.8
163.03896	2.6
169.08699	1.6
169.10126	4.9
170.10811	1.1
171.11703	5.1
173.02296	1.7
173.09584	1.6
173.13231	3.8
175.11185	1.5
179.06831	1.0
181.10088	1.5
183.11661	4.1
184.12579	1.2
185.13228	4.6
187.11165	2.4
187.14815	2.2
189.09186	1.3
193.04955	1.3
193.10101	2.4
195.11781	1.3
197.13266	4.0
201.12715	2.4
203.14355	2.0
205.04880	1.2
207.11557	1.6
209.13208	2.7
210.13976	1.1
211.14856	3.8
215.07010	1.5
215.10680	1.9
215.14253	2.1
218.05791	1.1
219.06392	2.0
220.12431	2.0
225.16400	1.9
235.14728	2.4
237.07584	1.5
237.12737	1.1
239.05463	2.1
247.05971	6.5
249.16551	0.9
253.15936	2.2
259.09668	4.0
265.07040	7.7
267.17313	1.2
283.08020	1.8
285.18460	1.2
289.17960	1.2
295.16953	1.0
301.09180	1.2
308.09616	0.9
313.17978	2.8
331.18893	3.4
344.11960	1.0
454.21942	2.4
461.16132	1.1
478.16074	1.3
479.17099	3.8
479.58444	1.0
496.16684	2.2
497.18130	1.9
514.24298	100.0
515.24829	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	514.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.61330	0.2
67.05492	0.3
69.03407	0.3
69.07057	0.5
69.53590	0.8
78.03440	2.4
79.04193	0.3
79.05472	0.4
79.14050	0.2
80.05011	4.9
81.07042	0.7
82.75610	0.2
91.05467	0.6
93.07031	0.9
95.04982	0.2
95.08599	0.8
96.04482	3.4
97.02892	0.5
100.05036	0.2
105.06996	1.2
106.02910	3.5
107.08571	0.5
108.04447	0.3
117.07004	0.2
119.08549	1.2
121.06488	0.3
121.10129	0.5
124.03944	100.0
125.04268	1.3
131.08565	0.5
133.10098	0.7
135.08037	0.7
140.03386	0.3
141.07013	0.2
143.08542	0.5
145.06459	0.3
145.10126	1.2
147.08049	0.3
147.11647	0.5
149.09634	0.3
155.08556	0.6
156.09317	0.5
157.10158	0.9
159.08058	0.6
159.11671	1.1
161.09612	0.5
169.10136	1.0
170.10869	0.4
171.11621	1.1
173.09622	0.6
173.13248	0.7
175.11226	0.3
175.14915	0.2
179.08495	0.2
181.10117	0.8
182.10901	0.2
183.11609	1.3
185.09570	0.3
185.13289	0.6
187.11122	0.5
187.14847	0.9
193.10112	0.7
194.10954	0.4
195.11703	0.6
196.12358	0.4
197.13271	0.6
198.14066	0.4
201.09129	0.2
201.12709	0.4
203.10722	0.4
207.11751	1.1
209.13275	0.7
211.11162	0.3
211.14777	2.0
213.16183	0.2
215.10789	0.2
215.14326	1.3
216.14966	0.2
220.12556	0.5
221.13300	0.5
225.16386	0.3
231.10156	0.5
234.13977	0.4
235.14799	1.6
236.15475	0.3
239.18011	0.4
249.16414	0.9
253.12381	0.4
253.15862	0.4
267.13864	0.2
267.17407	0.5
271.16934	0.3
277.15704	0.3
285.15094	0.3
285.18445	0.6
292.16925	0.2
295.16885	2.5
313.17929	5.4
313.21451	0.4
331.19070	0.8
417.56146	0.2
436.21158	5.6
437.21414	0.2
454.22543	1.0
514.24127	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	514.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02374	0.8
53.03942	1.2
55.01857	0.8
55.05509	4.8
57.07069	0.5
58.50122	0.3
65.03934	0.8
67.05502	3.4
69.03424	12.9
69.07054	1.5
69.57327	0.6
69.57719	0.6
71.04987	0.5
77.03924	0.4
78.03447	5.7
79.05486	2.9
80.05006	3.4
81.03413	11.1
81.03904	0.5
81.07049	3.9
82.60194	0.2
83.04976	11.1
85.02901	0.4
91.05480	5.7
93.07041	3.4
95.04964	3.1
95.08595	3.1
96.04491	3.1
97.06504	0.5
103.05465	0.3
105.07022	7.9
106.02911	10.6
107.04951	1.0
107.08584	3.6
109.02869	0.7
109.06525	1.7
109.10152	1.1
111.04440	13.5
112.07603	0.8
113.06004	0.8
115.05440	1.1
117.06995	3.3
119.04931	0.4
119.07735	0.6
119.08578	8.2
119.80611	0.3
120.08870	0.3
121.06540	1.4
121.10134	1.9
123.08061	0.5
124.03944	100.0
125.04293	1.1
128.06198	2.3
129.06998	4.1
130.07782	0.9
131.04933	0.6
131.08568	5.9
133.06503	1.1
133.10120	4.3
135.08051	0.8
135.11667	0.6
137.05974	0.3
137.09613	0.3
138.05479	2.4
139.05887	0.4
140.06047	0.3
141.06981	2.5
142.07756	3.8
143.08557	7.3
143.51254	0.3
144.09372	1.2
145.06485	1.2
145.10114	5.9
147.08044	2.1
147.11684	2.4
149.09619	0.5
153.06982	1.1
154.07802	0.8
155.08536	4.1
156.09331	2.4
157.06540	0.6
157.10118	7.4
158.10869	0.9
159.08044	1.0
159.11682	6.2
161.09618	1.9
161.13205	1.3
163.11142	0.6
163.14790	0.4
165.06979	1.8
166.07787	0.7
167.08568	2.3
168.09343	1.6
169.10127	4.3
170.10876	2.5
171.07997	0.8
171.11653	3.3
173.09630	1.1
173.13237	3.4
175.11151	1.5
175.14807	3.8
178.07780	0.8
179.08542	2.2
180.09305	1.2
181.10092	2.6
182.10913	1.2
183.08038	0.7
183.11682	3.2
184.12421	0.3
185.09631	1.2
185.13252	7.1
187.11147	1.7
187.14825	0.8
189.12755	0.5
191.08522	0.5
191.14346	0.6
192.09331	1.0
193.10109	2.3
194.10886	0.9
195.11700	2.8
196.12512	0.4
197.09647	1.0
197.13206	2.1
198.10344	0.3
199.11156	1.4
199.14693	1.3
201.12746	2.0
203.14310	11.2
205.10153	1.0
206.10899	0.9
207.11717	2.0
208.12454	0.6
209.09595	0.6
209.13234	1.8
211.11124	1.3
211.14828	1.1
213.12753	2.7
215.14406	0.5
217.10162	0.6
217.16016	0.3
218.10919	0.4
219.11726	1.2
219.13759	0.5
221.09546	0.4
221.13237	1.0
221.15358	0.9
223.11304	0.6
223.14749	1.6
225.12749	1.2
225.16370	0.3
227.14296	2.3
229.10056	0.3
229.15819	0.4
231.13814	1.0
233.13275	0.7
234.13951	0.4
235.14917	0.4
237.12627	0.3
237.16434	0.4
239.14362	0.6
239.18022	1.1
244.12302	0.3
245.15410	0.5
249.16537	1.2
251.14343	1.2
253.15927	0.4
257.18967	0.3
259.14731	0.4
262.13364	0.3
265.15652	0.4
267.14508	0.4
267.17459	2.6
269.15256	0.6
277.15912	1.7
283.16959	0.6
285.18573	0.6
295.16980	3.9
313.17938	2.5
326.17563	1.8
331.19049	0.3
344.18481	2.0
418.19885	0.3
436.21252	1.2
454.22122	1.3
514.27393	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	514.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03942	1.3
55.01875	0.5
55.05506	5.2
55.09084	0.4
58.31832	0.4
58.68069	0.4
65.03941	0.5
67.05490	2.8
69.03422	14.4
69.07066	1.3
69.44017	1.8
78.03451	5.5
79.05492	2.6
80.05015	2.9
81.03413	7.5
81.07046	3.5
81.47720	0.4
83.04975	11.6
83.08624	0.6
85.02914	0.4
91.05478	6.1
91.06007	0.8
93.07047	4.2
93.07623	0.6
93.49505	0.4
95.04947	2.9
95.08592	3.4
96.04473	3.2
97.06524	0.5
97.12210	0.4
100.35590	0.4
103.05459	1.3
105.07023	7.7
106.02901	9.9
106.03592	0.8
107.04963	0.6
107.08581	3.8
109.02908	0.5
109.06495	1.2
109.10138	0.8
111.04432	15.5
113.05973	1.0
115.05472	1.3
117.06985	2.9
118.99732	0.4
119.04968	0.6
119.08562	9.6
121.06454	0.9
121.10165	2.1
123.08068	0.6
124.03938	100.0
125.04304	0.7
128.06224	2.2
129.06999	3.5
130.07741	0.7
130.16310	0.4
131.04901	1.8
131.08542	6.2
132.05316	0.5
133.06509	1.2
133.10110	5.4
135.08035	1.0
141.06978	2.0
142.07762	3.2
143.08533	7.3
144.09317	1.1
145.06580	0.9
145.10104	6.0
147.08057	2.0
147.11668	2.6
149.09645	0.7
153.06950	1.2
154.07779	0.8
155.08560	4.0
156.09344	1.9
157.10109	9.8
158.10855	0.5
159.08083	1.1
159.11674	6.3
161.09602	1.7
161.13286	1.1
165.06958	2.0
166.07684	0.8
167.08588	1.7
168.09334	1.5
169.10086	5.0
170.10873	2.8
171.08047	1.0
171.11653	3.6
173.09706	0.9
173.13234	3.5
175.11165	1.7
175.14789	6.3
178.07607	0.7
179.08484	3.1
180.09280	0.8
181.10056	3.1
182.10881	1.3
183.11685	3.4
185.09592	1.3
185.13251	10.1
185.14908	0.5
187.11163	1.3
187.14841	1.3
189.12726	0.8
191.08542	1.0
192.09317	1.1
193.10162	2.6
194.10922	1.1
195.11679	2.6
196.12473	0.5
197.09563	1.3
197.13255	2.0
199.11162	0.7
199.14801	1.3
201.12715	3.0
203.08531	0.6
203.14290	17.3
205.10139	1.1
206.10919	1.1
207.11572	2.4
208.12498	0.8
209.09589	0.7
209.13211	2.0
211.11156	1.7
211.14896	0.9
213.12712	2.6
217.10019	0.7
218.10907	0.8
219.11659	1.3
219.13742	0.6
220.12564	0.5
221.13240	0.7
221.15265	0.9
223.11201	0.5
223.14813	1.7
225.12720	1.2
227.14241	2.5
229.12073	0.5
231.13786	1.5
233.13219	1.4
235.11165	0.8
237.12701	0.5
237.16371	0.8
239.17957	0.5
247.14828	0.6
249.16472	1.9
251.14307	1.6
253.15901	0.5
262.13763	0.5
267.13953	0.4
267.17401	2.4
277.15820	1.8
285.18591	0.8
295.16904	4.8
313.17978	4.6
326.17465	4.1
344.18439	2.6
364.35214	0.4
418.20316	0.7
436.21149	2.0
454.22128	1.6
514.24286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.9
51.02366	2.1
53.49342	0.5
55.05512	1.1
61.34435	0.5
62.15062	0.4
67.05501	3.6
69.03414	1.3
69.06724	0.5
69.07066	1.1
69.19582	2.1
69.19998	0.7
69.26720	0.4
71.04988	1.0
73.10574	0.4
74.81879	0.4
75.03268	0.4
76.30092	0.4
76.98109	0.4
78.03446	21.1
79.05483	3.2
80.05016	2.4
81.07037	2.4
83.04969	1.9
85.06523	0.6
85.95656	0.5
91.05476	4.9
93.07035	5.6
95.04961	1.2
95.08591	3.2
96.04481	4.7
97.02892	1.7
97.06549	0.9
98.22688	0.8
101.79109	0.5
105.04507	0.4
105.07023	6.8
106.02906	51.7
107.04941	0.9
107.08582	5.2
109.06535	1.1
109.10134	0.9
111.04445	1.5
111.08094	0.6
116.06282	0.6
117.07015	1.5
119.08580	6.0
121.06505	1.2
121.10139	3.0
123.08042	0.9
124.03942	55.1
125.04247	0.5
129.07011	0.9
130.07727	0.5
131.08559	7.5
133.10100	4.3
135.08026	2.5
135.11684	2.0
137.09557	0.7
139.07541	0.7
141.07019	0.5
142.07788	1.4
143.08563	2.2
144.09343	0.7
145.10098	4.9
147.07959	0.5
147.11699	2.0
149.09586	4.3
155.07118	1.1
155.08556	2.4
156.09378	1.3
157.10103	4.6
158.10837	0.8
159.08049	0.6
159.11690	5.6
161.09650	1.5
161.13286	1.0
163.11208	1.0
167.08580	0.7
168.09344	0.8
169.10106	3.5
170.10901	1.6
171.11629	4.7
172.12460	0.8
173.09660	1.1
173.13231	4.8
175.11172	0.8
175.14803	0.6
177.12781	0.9
179.08522	0.6
181.10129	1.5
182.10840	0.8
183.11687	3.9
185.13243	2.4
187.11192	1.5
187.14842	1.8
191.14336	0.8
193.10144	0.7
195.11778	0.8
196.12506	1.4
197.09671	0.4
197.13223	2.7
199.11197	0.5
199.14769	0.9
201.12772	1.1
203.14310	1.0
206.89339	0.5
209.13266	1.9
210.14015	0.5
211.11153	0.5
211.14815	3.0
215.14459	1.4
219.13895	0.6
223.14838	1.2
225.12781	0.6
225.16295	2.5
229.15895	0.6
235.14677	0.6
239.17862	0.5
243.13799	0.6
245.30156	0.5
249.16501	0.5
253.15913	1.4
267.17450	0.5
271.16998	0.6
285.18524	1.2
303.19507	1.1
313.17938	1.3
331.19125	1.0
395.41455	0.5
454.22073	6.8
514.24323	100.0
515.24585	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	514.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.1
53.03930	0.2
59.11280	0.1
67.05505	0.6
68.05013	0.2
69.30959	0.3
69.31358	0.2
71.04992	0.2
78.03452	0.8
79.05482	0.2
80.05013	4.1
81.07053	0.5
83.04958	0.1
91.05486	0.3
93.07036	0.3
95.04959	0.3
95.08598	0.2
96.04487	3.2
97.02875	0.4
98.23488	0.1
105.07008	0.1
106.02908	0.5
109.90886	0.1
111.04432	0.2
113.06010	0.2
119.08561	1.0
121.10131	0.1
123.50618	0.1
124.03941	100.0
125.04286	1.1
131.08617	0.2
133.10127	0.3
136.75148	0.1
137.06017	0.1
141.05457	0.7
142.07771	0.1
145.10110	0.4
155.07027	0.6
155.08429	0.2
156.09299	0.1
157.10094	0.4
159.11661	0.3
169.10098	0.3
170.10890	0.2
171.11656	0.6
173.09433	0.1
173.13243	0.7
173.48309	0.1
182.10849	0.1
183.11699	0.3
184.12489	0.2
185.13228	0.3
193.10072	0.1
197.13223	0.7
201.12692	0.2
207.11629	0.2
209.13228	0.3
211.14784	0.2
215.14354	0.1
220.12395	0.5
223.14740	0.1
225.16272	0.2
235.14830	1.1
249.16380	0.3
267.17398	0.2
277.15823	0.1
295.16946	0.4
313.14310	0.2
313.17929	3.0
331.19073	0.2
386.53174	0.1
436.21356	0.2
454.22006	0.2
514.24188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.9
55.01857	1.0
55.05505	1.8
65.03916	1.2
67.05492	3.6
69.03421	1.7
69.07054	2.1
77.03918	0.8
78.03448	14.6
79.05482	3.8
80.05011	2.2
81.07054	3.1
83.04972	1.8
87.04452	1.3
89.06052	0.8
91.05470	5.0
93.07029	3.9
95.04955	4.3
95.08588	3.9
96.04494	3.3
97.02884	2.5
97.06525	7.0
100.24524	0.7
103.05505	0.7
105.07030	6.4
106.02909	35.9
107.04938	2.5
107.08601	4.7
109.06504	4.6
109.10092	0.9
111.04429	1.5
111.08086	1.1
117.06955	1.0
119.04935	1.6
119.08542	6.7
121.02869	1.9
121.06519	3.6
121.10143	2.4
123.04448	0.8
123.08064	6.4
124.03945	43.0
125.05979	2.5
128.06248	0.7
129.07037	1.1
131.08559	3.9
133.06512	1.6
133.10109	3.8
134.07220	0.7
135.04408	1.9
135.08046	2.3
135.11722	1.3
137.06046	1.2
137.09601	0.9
138.05510	3.1
139.05876	1.3
139.07521	1.1
142.07721	1.6
143.08546	2.8
144.09338	0.8
145.06544	0.8
145.10135	4.4
147.04359	2.1
147.07996	1.3
147.11652	1.5
148.04704	0.8
149.05881	1.6
149.09598	3.9
149.92888	0.7
151.03917	0.9
151.07539	1.9
153.05431	1.6
155.07140	0.8
155.08551	1.5
156.09334	1.0
157.10094	5.5
158.10956	1.0
159.08099	0.8
159.11688	5.4
161.05965	0.8
161.09631	1.4
163.03865	3.8
163.11208	1.2
165.01843	1.2
167.03535	0.9
167.08580	0.7
169.08781	1.0
169.10146	3.4
170.10950	1.9
171.11656	5.2
173.05952	1.3
173.09583	1.2
173.13213	4.8
175.11217	1.9
177.05453	1.6
177.09062	0.8
179.06978	1.0
181.10078	1.8
183.11693	3.1
185.09630	1.0
185.13275	3.0
187.11185	2.2
187.14845	2.8
193.04980	1.2
193.10126	1.0
195.02736	0.7
195.11713	1.2
196.12483	1.3
197.13220	4.9
199.11176	1.4
201.12720	2.0
202.13441	1.1
203.14302	1.0
205.04953	1.6
207.11833	1.2
209.13281	2.0
211.14833	2.8
215.07047	1.9
215.10649	1.7
215.14311	2.5
218.05679	0.9
219.06567	2.7
220.12415	1.8
223.11143	0.8
225.16377	3.1
235.14806	2.9
237.07605	2.3
239.05556	2.0
247.05949	5.8
249.16322	0.9
253.15839	1.8
259.09610	4.5
265.07028	8.1
267.17380	1.2
271.16980	1.4
283.08182	2.1
289.17926	1.2
295.16998	1.1
301.10596	1.3
313.17938	2.9
331.19077	2.9
398.09756	0.8
428.17300	1.1
436.21152	1.6
454.22131	3.5
461.15308	0.9
479.16888	4.3
496.16922	0.9
497.17960	2.6
514.24335	100.0
515.24902	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	514.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03935	2.3
53.49776	0.4
55.01873	0.8
55.05511	2.8
57.03418	0.4
57.07083	0.5
59.02621	0.5
65.03934	0.8
66.84026	0.5
67.05499	3.5
68.29163	0.5
69.03429	4.8
69.07049	1.3
69.37705	2.7
71.04981	1.9
71.58441	0.5
78.03445	5.6
79.05500	3.0
80.05017	2.3
81.02960	0.8
81.03410	12.2
81.07043	3.6
83.04971	4.0
83.08595	0.6
85.02884	0.8
85.06529	0.7
91.05466	4.7
93.07047	4.9
95.03674	0.5
95.04966	2.4
95.08597	4.0
95.27538	0.5
96.04465	3.2
97.02882	1.2
97.06502	1.1
99.04462	3.3
103.05481	0.7
105.02107	0.8
105.07019	6.3
106.02908	11.9
107.04951	0.5
107.08585	4.0
107.09276	0.6
109.02867	4.5
109.06496	1.7
109.10188	0.6
111.04455	3.8
111.08138	0.7
113.05991	0.9
117.07011	2.7
119.08567	7.3
121.06481	1.3
121.10129	1.9
123.03131	1.0
124.03941	100.0
125.04301	1.1
125.05994	0.6
127.03904	7.5
128.06227	1.3
129.05505	0.6
129.06975	2.6
130.07822	0.7
131.08560	6.7
132.05505	0.5
133.06427	0.7
133.10118	4.0
135.08031	0.6
138.05473	0.9
139.05760	0.7
140.03409	43.4
141.03740	0.6
141.06981	1.9
142.07761	1.4
143.08562	4.2
145.10117	8.1
147.08047	1.5
147.11685	2.2
149.09541	0.8
154.07767	0.7
155.08516	3.8
156.09306	1.7
157.10110	6.5
159.07912	19.2
159.11641	6.5
160.08688	0.6
161.09561	1.5
161.13266	1.0
165.06927	0.9
167.08548	1.6
168.09288	1.0
169.10120	5.2
170.10956	1.9
171.11697	4.8
173.09618	1.1
173.13211	3.3
175.11159	1.1
175.14842	1.1
178.07854	0.7
179.08556	1.5
181.08664	0.8
181.10048	3.4
182.10880	0.9
183.11667	5.7
185.09590	0.8
185.13211	3.5
187.11182	0.6
187.14789	10.6
189.12621	0.5
192.09273	0.7
193.10178	2.8
194.10895	1.5
195.11636	3.2
196.12482	2.9
197.09583	0.8
197.13217	3.7
199.11226	0.6
199.14783	1.3
201.12804	1.5
201.16327	1.3
203.14348	2.2
205.10150	1.4
205.15901	1.4
206.10849	1.2
207.11646	2.3
208.12343	0.9
209.13321	2.4
210.14055	1.2
211.11240	0.8
211.14774	7.4
213.12828	0.9
213.16443	1.2
215.10721	0.6
219.11751	1.0
220.12393	1.3
221.13292	1.3
223.14740	2.5
225.12741	1.8
225.16316	3.6
225.46568	0.5
227.14284	0.9
229.15817	2.6
231.13666	0.6
233.13263	1.3
234.14003	0.7
235.14807	6.6
239.14362	0.7
239.17908	1.6
243.13962	0.8
249.16348	2.0
251.14218	0.8
253.12112	0.5
253.15813	3.9
267.14056	0.9
267.17395	3.2
269.15118	0.6
277.15866	1.4
285.18433	4.5
295.16925	6.2
303.19482	0.6
313.17950	8.6
328.19006	5.0
329.19785	1.1
331.19052	3.3
344.18451	1.2
389.19406	0.8
436.21066	0.7
454.22250	3.9
467.30179	2.0
468.31195	2.6
470.30029	6.0
480.68207	0.5
514.23956	11.9
514.30389	2.1
515.22748	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	514.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
63.69604	0.2
67.05498	0.2
69.07075	0.1
69.70659	0.5
77.45267	0.1
78.03442	0.7
79.04214	0.2
79.05472	0.3
80.05013	4.5
81.07053	0.5
91.05478	0.6
93.07024	0.5
95.04968	0.2
95.08595	0.2
96.04494	3.7
105.07039	1.0
106.02872	0.2
108.08913	0.3
109.10149	0.2
111.04464	0.3
119.08613	0.4
124.03949	100.0
125.04288	2.9
126.04395	0.4
131.08545	0.3
133.10117	0.4
139.29587	0.2
140.03450	0.2
145.10095	0.3
147.11624	0.2
157.10193	0.2
173.13216	0.2
174.13545	0.2
181.10101	0.2
219.60802	0.2
225.12703	0.2
327.32489	0.2
446.47668	0.2
514.24219	0.7
515.22540	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	514.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01873	0.3
55.05497	1.1
56.77900	0.3
59.04994	0.4
65.03942	0.2
65.65085	0.2
67.05500	0.9
69.03427	0.5
69.07056	0.6
69.31261	0.2
70.63014	0.3
71.05000	0.3
74.47791	0.3
78.03442	3.4
79.05495	1.3
80.05011	4.4
81.03391	0.5
81.07044	0.9
83.04945	0.4
83.08593	0.3
87.04488	0.4
89.06035	0.4
91.05465	1.2
93.07034	1.2
95.04958	0.7
95.08604	0.9
96.04490	4.5
96.08144	1.2
97.02879	0.7
97.06509	1.8
97.72250	0.3
99.04450	0.2
102.43601	0.2
105.07038	1.9
106.02908	8.5
107.04940	0.6
107.08580	0.4
109.06527	0.5
111.04412	0.5
111.08089	0.4
113.06017	0.9
115.05445	0.6
117.07014	0.9
119.04901	0.2
119.08587	1.7
121.02870	1.0
121.06487	0.6
121.10096	0.4
123.04490	0.3
123.08023	0.6
124.03944	100.0
125.04246	1.5
125.05978	0.6
127.03876	0.3
129.06992	0.5
131.04922	0.3
131.08575	1.2
133.06575	0.6
133.10129	0.9
135.04396	0.5
137.09634	0.3
138.05484	0.5
140.40147	0.3
141.09125	0.4
142.07751	0.3
143.08560	0.8
145.06500	0.4
145.10121	1.3
147.04372	0.6
149.05945	0.3
149.09674	0.3
155.08565	0.8
156.09229	0.4
156.10315	0.3
157.10114	1.3
159.08073	0.3
159.11629	1.5
161.02292	0.4
163.03906	0.8
163.07480	0.3
164.03387	0.4
165.01833	0.4
169.08652	0.3
169.10112	0.9
170.10905	0.3
171.11673	1.0
173.09573	0.4
173.13287	0.9
175.11172	0.3
181.10016	0.4
183.11697	0.8
185.09581	0.5
185.13203	0.5
187.14809	0.4
192.09117	0.3
193.10112	0.4
195.11682	0.6
197.13254	0.6
199.11278	0.4
207.11728	0.5
209.09491	0.3
209.13319	0.7
210.13603	0.3
211.14809	0.6
216.06360	0.3
219.06503	0.4
219.13725	0.3
220.12466	0.4
235.14886	0.9
239.05563	0.3
247.06047	1.1
249.16536	0.3
251.14204	0.3
258.05716	0.3
259.09659	0.6
265.07114	1.0
267.17487	0.4
283.08261	0.5
295.16739	0.3
313.06989	3.7
313.18045	0.9
331.18924	0.7
335.09030	0.8
348.08578	1.3
361.06805	0.8
376.11649	0.3
378.13480	0.5
408.10620	0.5
408.21683	1.0
418.19925	0.5
426.22772	1.0
436.13959	1.9
436.21094	1.2
451.17462	0.3
454.14944	1.2
454.22214	2.8
455.22556	0.3
461.15945	0.3
468.16507	7.8
469.16693	0.8
472.23053	0.7
479.16953	0.6
482.14392	0.7
497.18149	0.7
514.17456	1.6
514.24292	28.7
515.24866	2.1
517.91138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01875	3.4
55.05511	19.3
58.99586	7.2
63.00032	6.4
67.05509	21.8
69.03070	3.5
69.03427	64.8
69.07048	7.5
69.36269	3.3
69.36686	10.1
76.02219	7.1
77.03897	2.7
79.05497	15.7
81.03407	30.8
81.07050	26.3
83.04481	3.1
83.04980	53.0
83.08622	3.2
84.08146	3.7
85.02887	3.0
86.00646	24.6
86.99055	4.3
88.01794	2.6
88.02223	26.3
88.03991	21.8
91.05472	25.0
93.07024	25.1
95.04974	18.2
95.08596	30.5
97.06503	6.3
98.23448	4.8
102.95307	2.5
105.00127	3.3
105.07021	29.2
107.02599	4.1
107.04926	3.9
107.08593	23.2
109.06517	7.1
109.10139	11.7
111.04446	88.9
113.05998	4.0
116.01675	4.4
117.06994	11.0
119.08584	43.3
121.06518	16.0
121.10130	18.4
122.02734	17.8
123.08057	5.6
126.03780	2.5
127.03864	2.8
129.07011	9.7
131.08566	32.7
132.01141	59.5
133.06560	2.7
133.10109	19.9
134.02672	4.5
135.08040	5.0
135.11714	6.3
141.06964	4.2
142.07751	7.4
143.08577	22.1
143.47192	2.6
144.09258	3.6
145.06473	3.0
145.10123	49.4
147.07999	14.7
147.11678	19.1
149.09647	4.4
149.13281	4.0
153.02989	3.4
154.07777	2.7
155.08582	13.7
156.09309	7.5
157.10115	24.4
158.10831	3.3
159.11684	41.0
161.09581	6.9
161.13264	10.5
163.11159	4.6
167.08582	9.9
168.09259	3.7
169.10127	19.4
170.10835	5.8
171.11670	21.2
172.12396	4.7
173.09612	4.4
173.13263	20.2
175.11288	4.7
175.14813	26.3
179.08603	6.5
180.09396	3.4
181.10104	14.8
182.10893	6.2
183.11655	13.8
184.04211	3.0
185.09665	4.4
185.13217	20.8
187.11188	5.7
187.14804	87.4
189.12712	6.2
193.10071	5.7
194.10945	5.6
195.11691	13.0
196.12430	2.7
197.09741	3.6
197.13222	15.6
198.13943	3.5
199.11140	6.9
199.14813	14.7
201.12749	6.4
202.13425	2.6
203.14331	13.1
205.10118	4.2
205.15868	22.3
207.11659	6.0
209.13242	12.6
211.14819	18.0
213.12747	6.4
215.14301	25.7
217.10321	3.7
219.11809	5.1
220.12395	3.5
221.13387	8.3
223.11223	2.8
223.14853	9.9
225.16388	6.7
227.14102	3.6
229.15790	17.4
231.11819	3.2
233.13188	3.1
235.14775	9.4
237.16356	3.3
239.17828	3.9
241.15790	3.6
251.17941	7.0
253.15855	10.8
261.79190	2.7
267.17499	11.0
269.18881	10.2
279.17453	14.7
285.18518	11.2
287.20181	2.9
287.23499	2.5
291.05307	2.5
297.18466	51.1
298.18597	4.2
308.16736	11.3
313.06973	4.3
313.16162	2.6
315.19516	100.0
315.23215	5.7
316.19925	6.0
324.16327	2.8
329.15576	3.3
331.16974	4.6
347.16666	3.4
400.19427	13.5
406.20346	5.8
418.20453	58.2
419.20258	2.4
436.15726	5.2
436.21515	71.3
454.22681	27.1
496.23636	32.8
497.23126	3.6
514.24841	15.5
515.11462	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	514.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
57.07073	6.1
59.67215	1.6
67.05491	4.7
69.03445	2.0
69.07069	4.7
69.26697	9.8
70.06596	3.6
71.08636	2.9
73.79305	1.6
79.05489	5.6
81.03416	5.1
81.07063	6.7
83.04947	1.6
83.08609	3.2
86.09704	5.4
88.07634	5.0
89.06029	4.0
91.05462	7.0
93.07069	10.1
95.04976	3.3
95.08601	14.5
97.02891	2.2
97.06541	2.5
98.23405	4.2
102.09176	4.7
105.03367	5.3
105.04520	2.1
105.07008	10.7
107.08586	11.2
109.06516	2.5
109.10179	2.4
117.06998	3.3
119.08566	13.0
121.10152	4.0
123.08077	4.3
124.03961	7.4
127.03907	2.4
129.07013	4.9
131.08578	7.7
133.08525	2.0
133.10107	10.4
135.08044	2.6
141.95978	2.1
142.07759	2.9
143.08563	7.7
144.09325	2.0
145.10078	8.9
147.11678	4.1
149.09596	2.3
155.08582	5.3
156.09309	8.6
157.10141	21.6
159.11687	14.6
161.13286	2.4
165.07079	3.8
167.08530	3.1
169.10152	10.8
170.10864	10.0
171.11682	26.5
173.13181	9.3
175.14816	2.3
179.08530	3.1
180.09370	2.8
181.08653	2.8
181.10080	12.3
182.10902	3.5
183.11679	10.1
184.12453	3.5
185.13222	17.0
186.13928	2.4
187.11230	1.7
187.14864	2.8
189.16435	5.1
193.10136	4.0
194.11035	4.1
195.11667	18.9
196.12308	2.1
197.13297	9.2
198.14082	4.9
199.11240	2.0
199.14772	15.9
207.11694	5.0
208.12349	4.0
209.13254	19.8
210.13936	2.8
211.14821	5.7
213.16347	26.2
215.10600	10.2
217.15854	3.5
221.13383	3.0
222.14023	4.8
223.14803	5.4
227.10678	4.6
231.17163	3.6
235.14825	6.4
236.15579	3.2
237.16344	23.8
238.16962	2.0
241.12225	11.9
251.18007	11.8
255.13857	5.9
256.26382	5.0
257.15363	2.6
257.26709	6.5
259.13214	3.5
269.15308	2.8
279.17505	6.1
283.26346	6.5
284.26608	9.4
297.18457	39.4
315.19501	100.0
316.19632	4.1
375.21655	20.1
513.50677	21.2
514.27759	4.6
514.50873	8.8
515.31921	16.8
528.13855	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	514.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
51.85174	0.4
52.56150	0.4
53.03937	1.1
53.80229	0.5
55.05506	1.9
57.07067	1.5
57.76736	0.4
63.85551	0.5
67.05515	4.3
69.03426	1.4
69.07059	1.7
69.16235	1.7
69.16635	0.9
70.06580	0.7
71.04993	1.0
73.71857	0.6
77.03931	0.6
79.05482	1.8
81.07052	3.2
83.04972	2.2
83.08607	0.7
88.07623	0.8
91.05453	2.5
93.07030	4.0
95.04965	5.7
95.08608	2.9
95.09119	0.5
97.02892	3.6
97.06504	1.0
98.23515	1.0
102.09186	0.9
105.03394	22.4
105.04442	2.3
105.07021	6.2
105.60055	0.4
107.08607	2.6
107.09311	0.4
109.06536	1.1
109.10162	1.6
111.04464	3.5
111.08057	0.8
113.05976	0.5
115.05456	0.7
115.07530	0.5
117.06996	1.3
119.08568	12.7
121.06498	1.0
121.10146	2.6
123.04501	0.5
123.08051	0.8
125.06000	0.9
129.06993	0.7
131.04922	1.0
131.08563	2.6
133.10110	4.3
135.08038	1.0
135.11707	1.1
141.05475	1.0
142.07800	1.2
143.08554	2.1
144.09312	0.7
145.10115	4.0
147.08006	0.9
147.11679	13.8
151.07507	0.5
155.07050	0.8
155.08545	1.5
155.21225	0.5
156.09328	1.4
157.10114	6.6
158.10660	0.6
159.11702	6.9
161.09642	1.2
161.13272	4.2
161.15352	0.5
164.49034	0.5
167.08487	0.8
169.10115	2.1
170.10880	4.5
171.11668	7.1
173.09665	0.7
173.13242	5.0
175.11198	1.0
175.14828	3.0
179.08618	0.7
180.09354	0.9
181.08714	0.5
181.10165	2.0
183.11734	2.4
184.12502	1.9
185.13234	7.8
186.13997	1.3
187.11195	1.2
187.14845	1.6
189.12669	1.5
189.74702	0.5
193.08556	1.1
193.10143	1.8
194.10936	0.6
195.10101	0.6
195.11679	5.7
196.12418	0.8
197.13260	3.2
198.14032	0.8
199.11086	0.7
199.14783	7.3
201.16336	0.6
203.10712	0.7
203.14275	5.5
204.15080	2.1
205.15872	2.2
207.11682	1.4
208.12433	0.8
209.13220	3.8
211.14775	2.1
213.12779	1.0
213.16385	1.6
220.12398	0.6
222.14111	1.6
223.14725	1.6
227.17900	1.6
235.14806	2.2
237.12648	0.9
237.16367	8.2
238.17368	0.6
239.14388	0.5
241.12163	0.8
251.17963	2.2
255.13873	0.6
255.17383	1.9
256.26413	1.2
257.26642	1.4
269.18976	1.3
271.20609	0.5
273.14911	0.6
273.18320	0.9
279.17435	1.5
282.16202	1.0
283.26413	0.8
284.26685	1.4
297.18460	5.3
315.19522	100.0
316.19763	3.4
391.35748	0.6
408.43454	0.5
513.50879	5.1
514.27893	4.7
514.50946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01876	2.8
55.05501	4.9
57.03431	4.2
58.74891	2.6
58.86737	2.5
60.44864	2.5
67.05502	6.1
69.03412	5.7
69.07055	9.5
69.27874	13.2
70.06580	10.0
76.92164	2.5
79.05488	8.8
81.03413	84.6
81.07054	10.7
83.04992	6.7
83.08623	18.5
84.08141	3.1
85.02917	3.8
86.07594	2.5
86.09727	3.5
87.04488	2.7
89.06035	8.5
91.05476	13.6
93.07048	5.0
95.04959	26.3
95.08611	4.9
97.02889	3.4
97.06517	3.9
102.93124	2.8
105.07037	6.4
107.04958	5.5
107.08542	2.6
109.06506	2.7
111.08082	8.2
112.11265	3.0
113.00027	3.9
119.08529	13.4
121.02857	4.8
121.10180	5.0
123.04377	3.0
123.08081	4.9
125.05959	3.1
129.06978	6.5
131.08537	14.0
133.06474	7.5
133.08614	5.5
133.10120	7.2
139.01517	12.3
140.07019	18.4
143.08466	3.0
147.04376	3.9
147.08057	4.3
147.11679	7.2
149.09602	4.4
157.10143	10.9
158.06401	2.9
161.05962	3.9
169.05052	2.6
175.11201	11.8
183.04202	4.4
191.98056	2.7
193.05052	2.9
193.12224	67.1
193.13948	3.5
211.13245	7.0
212.63882	3.1
231.13702	3.9
239.11700	3.1
247.05922	3.5
259.56946	2.8
265.07077	7.1
267.11411	4.2
267.15891	42.1
285.16971	100.0
305.86658	2.5
309.17023	11.5
313.11743	13.6
363.17865	3.5
373.13934	16.4
391.72800	2.7
418.20432	3.2
482.19016	3.8
496.15811	3.1
514.17804	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	514.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95098	4.9
53.03944	5.0
53.44879	4.6
55.01860	5.6
55.05504	12.9
67.05499	16.1
69.03429	11.8
69.07067	20.3
69.44900	12.3
69.45291	8.8
70.06588	20.4
79.05495	9.3
81.03413	100.0
81.07043	14.1
83.04980	21.8
83.08616	28.0
84.05640	9.8
85.02904	7.6
86.09721	9.4
88.04003	10.1
89.29536	4.6
91.05489	13.9
93.07030	11.3
95.04977	35.8
95.08624	9.8
97.02894	20.0
97.06532	8.9
98.22647	5.4
105.07022	13.0
107.04961	7.5
107.08606	8.3
109.06537	6.1
110.25974	5.5
111.04450	5.8
111.08091	17.2
112.80272	4.8
119.04980	5.2
119.08592	15.2
121.02872	11.5
121.10181	6.3
123.08099	7.8
129.06992	10.1
131.08572	14.1
132.01144	5.8
133.06485	5.8
133.10036	6.8
140.07040	32.5
145.10060	7.9
147.07974	6.1
147.11664	12.7
149.09579	6.5
157.10101	18.3
159.11632	5.3
173.13281	5.4
175.07648	4.9
175.09760	22.6
175.11200	17.1
176.10115	10.9
193.12236	80.0
209.05865	12.8
210.06384	8.5
211.05577	13.8
212.06140	6.1
217.12111	4.6
229.15370	5.7
256.06058	6.4
258.05713	13.1
259.06070	8.0
267.15897	55.6
271.20688	5.7
285.16934	95.3
286.17303	6.1
309.16968	10.8
313.11667	11.9
436.20663	36.4
454.21341	16.8
482.19040	20.1
514.17853	15.7
514.24664	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	514.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
59.43611	1.3
65.22219	1.3
67.02331	1.2
67.05495	5.7
69.03421	2.3
69.07061	4.2
69.91198	4.3
79.05485	2.8
81.07059	7.9
83.08626	2.5
91.05459	8.9
93.07028	5.6
95.04973	2.5
95.08596	14.5
105.07021	11.8
107.08563	8.5
109.10151	10.3
111.04432	4.7
114.31706	1.3
117.07006	1.7
119.08576	100.0
120.08905	1.6
121.06438	2.0
121.10146	5.1
123.08087	2.3
123.11710	6.8
131.08563	3.2
133.10126	18.5
135.11710	2.5
137.09616	3.9
143.08521	2.3
145.10155	9.0
147.08054	1.7
147.11658	6.1
151.11142	3.2
155.08563	1.8
157.10091	7.4
159.11656	14.5
161.13283	3.0
167.08591	1.4
167.10576	1.7
169.10156	4.9
171.11629	4.4
173.13235	4.7
175.07520	2.0
179.10612	2.8
183.11693	5.5
185.13225	4.3
187.11147	2.9
187.14801	3.2
189.12730	1.7
189.16449	3.1
197.13257	6.9
199.14819	2.1
201.12793	1.5
201.16388	3.0
211.11153	1.8
211.14793	3.4
213.16405	1.8
217.12282	3.1
225.16391	2.4
229.12279	3.1
239.14331	3.5
239.17955	4.4
240.12144	1.5
243.13893	3.1
245.15526	1.9
253.19521	9.5
257.18866	2.0
259.16794	1.7
263.17972	4.0
281.18988	12.9
299.20053	36.0
317.21078	72.2
514.17450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.6
61.31477	0.4
63.59495	0.4
67.05497	3.3
69.03431	5.3
71.04942	0.5
71.19021	0.5
78.03439	1.8
79.05488	2.8
80.05016	2.6
81.03418	4.4
81.07059	3.2
83.04985	3.9
85.02897	0.5
89.06024	0.7
91.05478	3.5
92.06242	0.6
93.07026	3.7
94.06519	0.7
95.04952	2.0
95.08587	2.9
96.04475	1.9
97.02875	0.8
97.06530	0.7
99.05534	0.7
105.02130	1.0
105.07013	4.6
106.02891	4.1
107.04939	0.5
107.08582	1.5
109.02893	0.8
109.06506	1.7
109.10124	0.8
111.04445	6.2
115.05419	0.5
117.06994	1.6
118.05284	2.2
119.08568	5.0
121.06419	1.4
121.10138	1.2
122.02375	0.6
123.03162	1.0
123.05594	0.7
123.08043	0.5
124.03943	47.0
125.04263	0.8
127.03918	0.7
128.06204	0.6
129.06987	1.4
131.07657	0.5
131.08577	4.9
132.05598	1.3
132.06801	1.0
133.06392	2.6
133.07326	0.6
133.10133	2.6
134.07121	0.6
135.07938	1.8
138.05441	1.7
140.03416	47.8
141.03842	0.6
142.07782	0.7
143.08565	2.7
143.09485	0.5
145.06471	0.5
145.10109	4.0
146.07104	0.8
147.06691	1.0
147.07936	0.7
147.11665	1.4
148.05052	3.3
148.08676	2.0
149.09561	0.9
154.07745	0.4
155.08473	1.3
156.09326	1.1
157.10086	3.3
158.07141	4.2
159.07909	100.0
159.11508	2.4
160.08746	4.2
161.09488	2.0
165.06963	0.5
167.08516	1.0
168.09323	0.7
169.10164	2.0
170.10847	0.6
171.11664	2.0
172.07480	0.5
172.08820	0.5
173.08257	2.1
173.09570	0.6
173.13252	3.7
174.09018	0.9
174.10347	0.9
175.09834	0.5
175.11176	0.8
175.14789	0.8
176.08183	1.0
178.09772	0.5
180.09386	0.5
181.10086	1.3
181.69632	0.4
183.11664	1.9
184.12523	0.5
185.13289	1.5
186.09096	1.5
187.09831	0.8
187.11266	0.7
187.14780	2.4
191.10806	0.6
193.10114	0.6
195.11566	0.9
197.13293	1.2
198.09064	0.6
199.14815	0.7
200.10643	1.8
201.12819	1.0
203.14275	1.7
207.11607	0.6
209.13257	0.7
211.14758	0.8
214.12267	0.9
219.11705	0.5
219.13779	1.1
220.12532	0.6
221.13211	0.7
225.16325	0.7
235.14810	1.6
243.12466	0.7
249.16400	0.6
253.15907	0.6
255.12534	0.5
270.12332	1.0
270.18295	0.6
283.19342	1.3
284.14029	0.8
295.16840	0.6
298.15256	0.7
311.18759	0.6
313.17935	2.6
328.19226	0.5
329.16095	1.0
329.19730	4.4
331.18924	0.5
339.21677	0.6
344.18564	1.5
353.23361	1.2
357.19150	0.9
358.19861	1.0
367.24817	0.5
385.26297	0.7
386.26730	2.4
389.19543	4.7
399.26355	0.8
425.25122	0.6
436.21167	0.9
439.26901	0.8
454.22299	2.2
467.30215	9.1
468.30917	16.8
469.31256	0.8
470.30139	38.2
471.30304	1.5
514.24158	7.3
514.30188	16.0
515.22687	7.8
515.30328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	6.0
72.08148	4.2
73.28530	0.8
84.08129	3.1
85.02924	1.3
86.09691	4.9
97.72045	0.8
98.97567	1.2
101.15125	0.8
129.10243	1.3
132.33603	1.0
240.03070	1.6
257.58310	0.9
273.05905	4.1
310.46399	0.8
380.94940	0.8
398.21616	1.4
403.66776	1.0
515.11542	100.0
516.11969	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	515.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53982	0.4
65.46072	0.3
70.06573	0.8
70.14747	0.9
72.08153	0.4
84.08120	0.5
126.46371	0.4
151.45276	0.3
153.83318	0.3
209.17215	0.4
471.42529	0.4
515.13684	100.0
516.14093	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	515.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16051	0.7
53.03935	0.9
58.06589	1.0
58.25885	0.6
67.05505	1.7
69.03418	1.6
70.04186	1.4
70.04572	1.5
70.06593	26.4
76.07635	2.0
79.05507	1.8
81.03401	1.3
81.07058	3.6
82.06605	1.2
84.04498	1.0
85.02898	1.9
93.07066	1.9
94.06615	1.0
95.04972	1.1
97.02876	1.4
99.08098	1.1
107.04936	0.7
107.08576	1.7
108.08121	5.9
109.02859	1.5
110.06024	5.7
111.67535	0.7
112.07584	1.0
114.12173	0.6
120.08044	0.9
122.06036	1.1
124.07584	0.9
127.03928	1.3
128.07079	2.7
130.06520	3.9
130.08676	3.2
134.09721	1.6
136.07581	1.8
136.11205	2.6
136.44600	0.8
146.06049	0.7
148.07451	0.8
149.09720	0.9
150.05490	3.6
151.03918	3.3
151.04959	0.8
152.07057	4.3
159.09132	1.0
162.04399	0.7
163.08675	2.9
168.10143	1.3
176.14308	2.0
178.15834	0.7
185.04213	8.5
194.11716	1.3
194.15393	29.3
203.05264	10.9
203.10405	0.8
207.07687	1.6
218.15297	1.0
224.16548	1.2
225.08568	0.9
234.14842	0.8
236.16521	1.3
249.10251	3.1
254.17422	1.1
263.11795	1.8
274.12891	1.9
275.11780	3.3
278.17572	1.2
281.12766	1.6
292.14487	2.9
293.13022	0.7
310.15515	2.7
313.05762	0.7
320.99829	0.9
323.10004	0.8
328.13916	2.2
335.07495	0.8
338.19913	0.8
353.08411	58.0
354.08636	2.3
380.20618	0.9
387.14017	2.1
398.21710	84.9
399.22208	4.3
425.10785	1.2
443.18381	3.5
455.18002	0.8
472.20840	3.2
497.12463	2.4
514.31403	0.9
515.13605	100.0
515.29565	8.8
516.13898	3.2
516.19995	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	515.2042
Annotation	(3S,7R)-8-benzyl-3-{[(3-hydroxy-4-methoxypyridin-2-yl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate
Peak:m/z	Relative Intensity
53.03938	1.4
55.05503	6.4
56.66424	1.0
65.03927	1.4
67.05507	4.7
69.03069	1.3
69.03423	20.5
69.07056	1.4
69.83121	2.5
69.83500	2.2
71.37041	0.9
79.05476	3.5
81.03408	11.3
81.07054	5.4
83.04976	16.2
91.05475	8.9
93.07031	4.4
95.04977	5.3
95.08612	3.5
98.23486	1.4
105.07020	11.3
107.08586	4.1
108.64175	0.9
109.06492	4.7
111.04436	29.7
115.05455	1.9
117.07006	8.6
119.08566	9.4
121.06499	1.9
121.10135	2.0
123.08043	1.8
128.06219	3.1
129.06999	5.1
131.04919	1.5
131.08551	22.2
133.06453	1.3
133.10135	2.3
135.08069	1.4
141.06992	1.7
142.07817	3.2
143.08566	7.2
145.06485	1.6
145.10124	15.5
147.07986	2.1
147.11693	1.8
149.09616	1.8
153.06982	2.2
155.08540	6.7
156.09341	3.3
157.10098	8.2
158.10896	2.5
159.08047	2.2
159.11681	6.0
161.09692	2.2
161.13318	1.5
163.11075	1.1
165.06996	2.4
166.07823	1.1
166.12852	1.1
167.08545	2.3
168.09337	3.5
169.10109	3.9
171.08092	1.1
171.11719	7.6
173.09674	2.1
173.13251	31.9
175.11140	1.4
179.08438	1.2
181.10146	3.6
183.11728	4.9
185.13261	2.0
189.12772	4.2
191.08720	1.0
191.10674	3.2
191.14307	1.9
193.10115	2.4
195.08107	1.0
195.11688	4.2
197.09564	2.0
197.13257	2.9
199.11169	2.9
201.12752	8.6
203.14246	1.5
207.11772	1.8
217.12268	1.1
218.10976	1.0
219.13847	6.9
221.13258	2.7
223.11252	1.7
232.12334	1.6
239.14302	1.1
265.15939	2.6
283.16968	1.4
293.15332	1.3
311.16272	5.1
329.17410	2.9
347.18533	1.8
389.19537	40.3
390.19949	2.1
427.15250	10.8
515.20386	100.0
516.20593	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	515.2251
Annotation	Tyr Phe Trp
Peak:m/z	Relative Intensity
55.05510	1.0
57.53834	0.5
62.10007	0.7
63.00896	0.6
67.05473	1.0
69.03426	2.7
70.07833	1.4
79.05484	0.9
81.03421	1.8
81.07076	1.0
83.04984	2.6
88.13549	0.5
90.81883	0.6
91.05475	1.5
105.07041	1.6
111.04409	4.1
113.80326	0.6
117.07008	1.2
119.08566	1.6
124.03928	5.9
125.04265	1.5
128.06300	0.7
131.08543	3.3
133.10173	0.8
143.08574	1.4
145.06403	0.6
145.10144	2.5
155.08606	1.2
157.10141	1.5
158.10889	0.7
159.11688	0.9
171.11737	1.1
173.13240	3.8
183.11763	0.9
185.13254	0.8
201.12811	1.3
265.45651	0.6
286.93961	0.6
389.19586	4.8
399.28708	0.8
427.15509	1.4
455.20435	1.8
474.74835	0.7
515.22443	100.0
516.22559	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	515.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01873	1.8
55.05514	7.1
65.03943	1.4
67.05499	10.2
69.03423	32.4
69.07054	3.6
70.03735	1.0
70.55684	1.8
71.04987	1.5
78.03439	1.7
79.05478	8.3
80.04987	1.3
81.03412	19.9
81.07058	7.0
83.04974	22.8
91.05472	13.5
93.07040	11.9
94.07349	1.4
95.04960	8.3
95.08598	6.5
96.04504	2.7
97.02883	1.4
97.06542	3.8
98.03251	0.9
103.05437	1.1
105.07012	17.9
106.02905	4.5
107.03299	1.1
107.04986	2.4
107.08570	8.6
109.02887	1.7
109.06531	5.7
109.10174	1.5
111.04440	39.1
111.08067	1.0
112.04790	1.7
113.05970	1.1
115.05435	2.3
117.07014	11.5
119.04958	2.2
119.08568	12.4
120.08918	2.5
121.02901	1.4
121.06506	4.3
121.10145	4.8
122.02419	1.2
123.04431	1.3
123.08080	2.7
124.03944	49.1
125.04282	10.7
127.01592	1.2
127.03883	2.4
128.06230	2.7
129.07021	7.6
130.07811	1.4
131.04939	1.1
131.08556	26.5
132.08891	1.9
133.06451	2.8
133.10123	5.4
134.10510	1.6
135.08047	2.8
135.11743	1.5
140.03413	68.2
141.03763	17.4
141.06990	4.4
142.07802	3.8
143.08565	10.7
144.09264	2.3
145.06468	3.2
145.10114	20.5
146.10516	1.8
147.04440	1.4
147.08054	3.9
147.11720	2.9
148.05106	1.6
149.09592	1.7
153.06982	1.4
154.58994	1.2
155.08563	7.9
156.09322	3.5
157.10112	12.4
158.07187	2.8
158.10768	3.5
159.07919	48.2
159.11682	10.2
160.08302	14.8
160.11960	1.8
161.09621	3.8
161.13284	2.2
163.03964	2.7
163.14882	1.2
165.07031	2.3
165.09074	1.2
166.07809	1.5
167.08539	3.6
168.09315	3.6
169.01343	1.5
169.10156	4.5
171.08109	1.7
171.11710	9.4
173.09662	2.2
173.13240	37.7
175.11139	2.7
175.14766	1.9
177.09334	1.3
177.12798	1.2
179.08580	3.2
181.10153	3.4
182.10733	1.4
183.11699	8.2
184.12158	1.8
185.09676	1.9
185.13261	4.3
186.13654	1.5
187.07600	1.1
187.14879	2.5
188.15274	1.8
189.09138	1.2
189.12781	4.5
191.08643	1.6
191.10721	3.5
191.14294	2.7
193.10149	3.4
194.10829	2.1
195.08112	1.7
195.11687	4.2
197.09717	1.5
197.13280	3.2
198.13811	2.2
199.11273	2.1
199.14894	1.3
201.12744	11.6
203.14381	1.6
205.15919	1.6
207.11719	1.9
209.13219	2.7
211.11234	1.7
211.14810	2.6
213.12746	2.2
217.10037	1.5
217.12119	1.7
219.13751	9.3
221.13219	2.5
223.14566	1.7
225.12714	1.7
225.16486	1.4
235.14806	1.7
236.15222	1.3
254.16135	1.2
259.09625	1.8
265.07172	3.2
270.00516	1.3
270.18182	1.2
286.18900	1.2
287.05563	5.1
296.17102	2.2
311.16360	3.5
314.18253	2.3
323.16135	2.3
329.17203	2.1
330.19916	1.4
345.19092	1.8
347.18570	3.1
389.19592	38.2
389.24634	2.0
390.19913	1.6
411.17725	2.9
423.70813	1.2
435.13968	1.3
437.21494	1.5
455.22928	1.2
467.30325	1.3
468.30557	8.2
469.31479	10.2
470.30334	5.2
471.30429	17.6
479.16882	7.2
497.17929	10.8
514.30420	2.1
515.22681	100.0
515.30573	6.6
516.22815	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	515.2852
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01875	4.7
55.05499	9.7
60.90890	3.9
67.05499	5.6
69.03424	9.4
69.07044	6.6
70.70609	4.0
70.75415	4.4
71.93065	3.6
79.05489	8.1
81.03416	6.8
81.07063	8.2
83.08642	5.0
84.04504	9.7
84.97500	10.3
85.02905	21.2
91.05460	12.8
93.07022	8.2
95.04947	6.9
95.08605	18.3
97.02901	7.3
97.06539	5.6
105.07004	9.1
107.04945	5.7
107.08580	10.4
109.10138	8.3
111.04456	11.0
119.04945	6.5
119.08572	15.7
121.02869	54.1
121.10110	5.9
123.08070	8.2
129.05428	7.1
131.08560	5.6
133.10139	10.3
138.05502	5.8
145.10069	8.4
147.04401	13.7
147.11658	7.8
153.05478	4.8
157.10117	4.2
159.11647	9.9
162.98528	7.2
163.03876	7.2
165.01770	4.9
169.10074	10.6
173.13287	9.6
180.99490	6.7
183.11597	5.9
184.99155	6.3
200.98473	8.0
201.16373	13.3
205.15926	5.6
207.01073	5.5
208.99066	34.5
215.15312	4.9
229.12231	7.2
236.98576	10.8
247.06046	7.7
258.04105	5.9
259.04608	6.0
263.00168	6.7
265.07034	8.1
287.01263	4.7
287.05051	4.6
292.02744	32.7
299.20120	14.8
317.21112	51.8
329.04700	8.9
335.22247	4.6
356.43390	4.9
357.04187	6.7
378.09644	7.7
393.02499	4.4
395.05640	6.6
404.37320	5.2
412.08484	100.0
413.09033	5.3
440.07883	20.7
479.16849	8.7
479.26254	21.8
497.17877	11.0
515.18579	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	515.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60476	0.5
57.07064	0.5
62.40355	0.4
93.10272	0.4
98.65293	0.5
112.10915	0.5
118.57164	0.5
122.70718	0.5
138.80472	0.4
185.04155	0.6
241.77202	0.5
339.01257	0.9
514.50696	1.0
515.31903	100.0
516.32330	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.5
57.03433	7.3
57.07061	3.1
57.07758	2.2
61.02928	5.2
65.03926	3.7
67.05502	97.5
69.03427	5.1
69.07063	19.4
71.04992	3.1
71.43647	3.0
71.71825	2.1
73.02904	2.7
77.03913	2.9
79.05487	59.1
79.05949	3.4
81.03410	3.5
81.07052	100.0
83.04965	4.0
83.08623	9.4
85.02908	8.9
85.06540	2.9
91.03926	3.4
91.05478	40.5
93.07037	70.4
95.04996	13.8
95.08602	80.5
97.02884	5.8
97.06493	6.1
97.10184	4.7
105.07018	24.7
106.02921	3.4
107.04960	2.6
107.08588	39.6
109.06512	5.3
109.10155	41.7
111.08086	3.1
113.09641	3.3
115.07582	3.1
117.07007	13.8
119.08580	20.4
121.10132	38.5
123.08057	3.4
123.11682	17.3
124.03951	21.5
129.07072	2.8
131.08557	30.5
133.10103	23.4
135.08052	3.0
135.11679	27.3
137.09619	2.5
137.13261	9.2
139.11211	2.7
145.10124	21.8
147.11620	16.4
149.13251	18.9
151.14844	3.4
153.12903	3.8
155.08450	2.8
157.10112	5.1
159.11682	19.1
161.13190	16.2
163.14828	16.3
171.11685	3.1
173.13271	19.1
175.14836	7.3
177.16379	3.2
185.13254	3.6
187.14790	11.7
189.12776	2.8
189.16383	7.8
191.14279	3.4
201.16325	5.5
233.22557	3.2
243.21049	20.1
261.22137	78.1
269.22653	3.1
279.23242	4.6
315.23495	2.8
335.25766	24.1
345.23880	3.5
353.26895	10.1
387.25900	2.7
405.26199	3.7
450.24677	2.8
497.30899	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53983	2.8
53.03934	6.6
55.05507	16.3
57.03432	4.9
67.05502	74.2
67.96581	3.9
69.03436	4.4
69.07082	17.9
70.27842	8.7
78.03472	4.6
79.05487	53.4
80.04983	3.1
81.03417	4.5
81.07050	84.8
83.08626	8.9
85.02914	3.1
85.06559	3.1
91.05467	36.7
93.06455	5.1
93.07036	71.7
93.07600	4.5
95.04984	8.5
95.08602	71.8
96.04498	5.5
97.06551	3.9
97.10184	3.8
103.05489	3.9
105.04549	3.7
105.07021	49.6
106.02922	12.3
107.08593	49.2
109.10154	42.4
117.07004	20.0
119.08575	34.7
121.10148	40.0
123.08125	3.6
123.11724	17.0
124.03947	100.0
129.06978	4.6
131.08591	25.6
133.10132	25.5
135.11668	23.9
137.13199	6.1
139.01505	4.6
143.08571	5.3
145.10123	25.2
147.08060	3.8
147.11671	23.5
149.09671	3.6
149.13271	19.2
157.10056	4.9
159.11732	22.4
161.13295	11.6
163.14792	16.4
171.11720	9.5
173.13245	25.4
174.49530	3.4
175.14813	10.4
175.28284	3.2
185.13239	9.9
187.14851	14.5
189.16331	15.7
199.14967	3.6
213.16484	6.8
243.21037	26.1
261.22125	70.7
262.22726	5.2
269.22681	15.7
279.43436	3.3
303.23383	4.0
335.25790	11.6
335.44830	3.6
353.26730	6.9
373.88144	3.3
392.25729	7.1
401.36584	3.4
464.22681	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3299
Annotation	Serratamolide A
Peak:m/z	Relative Intensity
54.44485	1.0
55.05509	1.6
57.63980	1.2
60.05640	5.1
70.06586	76.2
71.04977	4.1
71.39753	1.4
72.08148	8.0
84.08125	2.1
84.48829	1.3
86.09695	16.5
87.05573	1.1
88.07616	2.0
98.06052	3.8
108.30756	1.2
110.07168	3.3
112.08716	24.8
115.08685	3.7
124.11256	4.0
140.08195	5.2
141.10313	1.2
157.10828	5.3
157.13353	4.7
168.14973	2.7
169.13348	8.8
175.07556	1.3
189.12320	2.3
196.14510	2.7
197.12816	2.9
211.15521	37.9
211.17436	2.3
212.15793	1.7
228.18176	2.6
239.14986	6.9
267.08136	1.3
268.16696	1.4
271.33328	1.4
299.21942	2.1
398.21765	3.4
498.30267	5.7
515.12079	5.9
515.32996	100.0
516.33795	6.6
541.97333	1.4
544.61932	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	516.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
65.03929	2.1
67.05495	0.5
68.99775	0.5
69.03426	2.2
78.03459	0.6
79.05469	0.4
80.05014	0.5
81.07058	0.7
83.04996	1.6
91.05481	18.3
93.07017	0.6
95.04957	0.7
95.08599	1.0
96.04484	2.5
97.06491	0.4
103.05463	1.5
105.07027	1.2
106.02924	1.3
107.08570	0.6
111.04443	3.9
113.05993	0.6
115.05424	0.5
117.06985	0.6
119.04941	35.0
119.08552	1.5
120.05244	0.6
121.06450	0.3
121.10102	0.4
124.03951	20.3
128.06171	0.4
129.07079	0.3
131.04918	7.9
131.08542	0.4
133.10138	0.7
140.03369	0.3
141.07025	0.3
142.07797	0.3
143.04857	0.4
143.08568	0.8
145.10130	1.2
147.04404	100.0
147.11642	0.5
148.04753	1.9
155.08519	0.6
156.09367	0.3
157.10127	1.2
159.11664	1.2
165.06966	0.5
167.08633	0.4
168.02902	0.3
169.10095	1.2
171.11650	0.6
175.14893	0.3
179.08553	0.5
181.10051	0.6
182.04446	0.4
183.11745	1.4
185.00818	0.9
185.13188	0.4
187.11180	0.3
187.14777	1.4
190.01341	1.3
190.04984	0.3
192.02965	1.5
194.04520	0.4
195.11673	0.8
196.12447	0.3
197.13219	0.5
199.03905	0.7
203.14311	0.4
205.10153	0.3
205.15909	1.6
207.11639	0.4
208.02396	1.8
209.00847	0.5
209.13252	1.0
210.04050	0.3
211.14830	0.9
215.06993	0.6
218.00883	0.5
221.13235	0.3
223.14955	0.6
225.16356	0.7
228.88174	0.3
229.15910	0.5
234.03979	2.0
235.14833	1.2
241.04964	0.5
250.03470	0.7
251.18066	0.4
253.15851	1.0
269.19055	0.7
270.07617	0.6
271.06015	0.7
279.17435	1.2
294.07635	0.8
296.09201	2.8
297.18427	1.6
303.66733	0.3
315.19601	0.6
322.07028	0.4
328.19131	0.9
338.10095	2.3
354.05219	0.5
354.09659	7.7
363.04791	0.3
370.12851	11.5
371.13116	0.6
396.10504	0.4
420.21463	0.4
438.22806	0.8
448.47827	0.3
456.24146	0.3
484.13879	4.3
498.17123	0.6
516.16534	19.8
517.16797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.3
68.99807	0.5
69.07198	0.9
69.07607	1.1
91.05482	17.1
95.04935	0.3
98.22672	0.5
103.05479	1.6
104.76392	0.3
119.04946	36.5
120.05281	0.8
121.02701	0.3
124.03956	2.1
131.04930	6.4
138.61578	0.3
140.03365	0.4
146.71057	0.3
147.04408	100.0
148.04811	1.9
166.05061	0.6
182.04523	0.5
190.01282	1.5
192.02928	1.7
199.03987	0.6
206.41132	0.3
208.02417	2.1
218.00845	0.7
234.04042	1.8
241.05000	1.1
250.03575	1.0
268.04462	0.4
270.07855	0.5
294.07626	0.5
296.09109	2.8
322.07208	0.4
338.10126	1.4
354.09708	7.1
370.12866	10.5
370.36194	0.3
371.13092	0.4
380.07346	0.5
396.10620	0.5
452.19284	0.3
484.13983	3.2
516.16565	16.4
517.16650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02375	0.7
53.03941	0.4
53.14444	0.1
55.01875	0.4
56.40766	0.2
57.03438	0.9
61.02923	1.1
68.99780	0.5
69.03424	3.9
69.25386	0.6
69.25790	0.4
71.04999	0.2
73.02907	0.2
78.03456	1.9
81.03418	1.5
83.04961	0.3
85.02899	8.9
87.04460	0.5
91.03916	0.2
91.05486	0.9
93.07030	0.5
95.04941	0.3
96.04485	100.0
97.02887	2.4
97.04826	1.0
98.23445	0.3
99.04450	0.7
103.05460	0.3
107.04949	0.7
109.02869	2.5
110.14883	0.2
111.04428	0.2
115.03897	0.2
119.04925	1.3
121.06492	0.4
124.03911	0.8
125.02330	1.0
125.04322	0.2
127.03918	1.6
131.04916	0.9
133.06488	0.2
135.08038	0.6
136.07550	1.6
145.04944	1.0
147.04402	4.0
149.05966	1.9
151.42145	0.2
161.95427	0.2
189.05551	0.3
197.44696	0.2
217.04855	1.1
219.42554	0.2
223.10226	0.2
259.09653	2.6
259.12158	0.3
264.51108	0.2
342.95190	0.2
354.09085	0.4
354.13336	7.1
355.13831	0.3
457.68616	0.2
494.65094	0.2
516.11780	0.3
516.18579	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	516.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.2
51.02379	0.6
53.03944	0.3
55.01866	0.4
56.82731	0.2
57.03428	0.8
58.99489	0.2
61.02914	0.8
68.68551	0.2
68.99796	0.9
69.03432	2.8
69.58268	0.6
69.58616	0.3
71.05000	0.5
73.02904	0.5
75.04363	0.2
78.03452	2.0
81.03417	1.1
83.05008	0.2
85.02901	6.0
87.04461	0.6
90.08385	0.2
91.03939	0.3
91.05491	0.5
93.07013	0.4
95.04965	0.3
96.04490	100.0
97.02884	2.2
97.04811	0.9
98.22725	0.2
99.04455	0.6
99.86840	0.2
102.78108	0.2
103.03947	0.3
103.05468	0.7
105.07027	0.3
107.04954	0.4
109.02893	1.1
119.04938	1.3
121.06493	0.7
124.03956	0.5
125.02338	1.2
127.03920	1.7
131.04915	1.5
133.06491	0.4
135.08043	0.6
136.07562	1.2
136.76991	0.2
145.04956	1.5
147.04399	4.8
149.06009	1.3
161.06000	0.3
171.04430	0.3
173.05957	0.2
189.05536	0.5
217.04974	2.6
231.50705	0.2
259.09677	2.6
259.12167	0.3
268.73456	0.2
303.61124	0.2
321.74841	0.2
354.13171	1.6
453.05051	0.2
516.18695	4.7
517.19366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03442	2.2
58.06594	2.2
60.54190	2.0
61.02924	2.3
65.03929	3.9
67.05493	7.9
68.97785	1.8
69.03436	12.4
70.06297	2.0
70.06596	24.8
71.03526	3.3
71.06922	3.8
72.14264	2.2
74.70759	2.1
79.05482	2.9
81.03409	7.4
81.07075	3.3
82.06565	2.0
83.04988	4.0
84.04495	6.4
85.02901	16.2
87.04465	3.3
94.06556	8.7
97.02898	9.0
98.06049	2.4
99.04451	2.3
104.18658	1.9
106.06564	3.3
108.08118	95.3
109.02873	7.7
112.07657	2.9
117.05774	2.7
118.06567	6.3
121.06471	2.1
122.06032	22.7
123.06815	6.7
124.07589	16.1
125.06007	5.0
126.05523	4.8
126.09159	2.5
127.03926	5.7
128.05418	2.5
130.05035	3.3
130.06531	84.3
132.08089	8.3
134.06001	18.3
135.09178	4.0
136.07579	35.9
138.05521	9.6
140.07114	2.5
142.06561	2.5
143.07034	6.9
144.08078	4.5
146.06017	10.7
148.07552	3.3
149.05966	2.5
149.07083	4.9
150.05495	100.0
151.03902	43.7
151.05032	4.2
152.07060	94.3
154.08612	5.5
157.07585	9.3
158.08345	6.6
159.09169	22.0
161.07098	15.1
162.07877	7.2
163.08662	78.2
164.07098	2.4
167.42815	2.0
168.06535	2.5
169.05066	3.1
169.07603	6.4
171.09259	2.5
175.08633	5.7
179.08241	3.9
180.08131	3.2
181.08244	2.2
181.09737	8.3
185.08136	4.2
188.07162	3.9
189.06863	2.3
194.15404	14.0
195.15692	7.4
198.34962	2.3
203.05272	2.9
204.08365	3.3
205.09654	3.4
206.08252	4.0
207.07681	26.5
209.17569	2.2
215.08160	4.4
217.04918	2.6
220.09906	5.2
221.10738	9.0
225.08646	12.1
229.28313	2.0
232.09918	4.9
242.09003	2.9
247.12315	6.9
248.09473	5.7
249.10240	50.2
250.10800	2.9
251.11879	5.8
259.78415	2.2
260.09445	6.2
261.10306	11.0
262.11038	2.6
263.11771	43.5
264.12387	2.2
265.09842	2.4
265.13348	2.7
267.11224	11.7
273.10156	4.8
275.07297	3.1
275.11774	72.8
275.14716	4.5
276.12299	3.3
279.11203	6.8
280.12024	5.9
281.12860	30.3
292.14438	58.4
293.12613	15.6
302.12473	2.4
310.15482	44.0
311.15942	2.4
313.09274	3.2
314.12314	17.2
323.01578	2.3
336.12991	2.8
341.02686	2.4
343.15021	8.2
353.08450	3.9
354.08939	13.8
354.14334	7.8
377.01755	7.3
387.13983	47.3
398.21609	27.4
398.25528	2.4
399.14081	3.0
399.22040	41.2
429.16556	8.2
441.16098	4.0
443.18134	85.4
444.18536	3.2
455.18265	20.7
472.20786	81.3
473.20853	4.1
516.13647	25.9
516.19684	82.9
516.28595	4.1
516.30609	3.7
517.14972	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	516.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03442	2.2
58.06594	2.2
60.54190	2.0
61.02924	2.3
65.03929	3.9
67.05493	7.9
68.97785	1.8
69.03436	12.4
70.06297	2.0
70.06596	24.8
71.03526	3.3
71.06922	3.8
72.14264	2.2
74.70759	2.1
79.05482	2.9
81.03409	7.4
81.07075	3.3
82.06565	2.0
83.04988	4.0
84.04495	6.4
85.02901	16.2
87.04465	3.3
94.06556	8.7
97.02898	9.0
98.06049	2.4
99.04451	2.3
104.18658	1.9
106.06564	3.3
108.08118	95.3
109.02873	7.7
112.07657	2.9
117.05774	2.7
118.06567	6.3
121.06471	2.1
122.06032	22.7
123.06815	6.7
124.07589	16.1
125.06007	5.0
126.05523	4.8
126.09159	2.5
127.03926	5.7
128.05418	2.5
130.05035	3.3
130.06531	84.3
132.08089	8.3
134.06001	18.3
135.09178	4.0
136.07579	35.9
138.05521	9.6
140.07114	2.5
142.06561	2.5
143.07034	6.9
144.08078	4.5
146.06017	10.7
148.07552	3.3
149.05966	2.5
149.07083	4.9
150.05495	100.0
151.03902	43.7
151.05032	4.2
152.07060	94.3
154.08612	5.5
157.07585	9.3
158.08345	6.6
159.09169	22.0
161.07098	15.1
162.07877	7.2
163.08662	78.2
164.07098	2.4
167.42815	2.0
168.06535	2.5
169.05066	3.1
169.07603	6.4
171.09259	2.5
175.08633	5.7
179.08241	3.9
180.08131	3.2
181.08244	2.2
181.09737	8.3
185.08136	4.2
188.07162	3.9
189.06863	2.3
194.15404	14.0
195.15692	7.4
198.34962	2.3
203.05272	2.9
204.08365	3.3
205.09654	3.4
206.08252	4.0
207.07681	26.5
209.17569	2.2
215.08160	4.4
217.04918	2.6
220.09906	5.2
221.10738	9.0
225.08646	12.1
229.28313	2.0
232.09918	4.9
242.09003	2.9
247.12315	6.9
248.09473	5.7
249.10240	50.2
250.10800	2.9
251.11879	5.8
259.78415	2.2
260.09445	6.2
261.10306	11.0
262.11038	2.6
263.11771	43.5
264.12387	2.2
265.09842	2.4
265.13348	2.7
267.11224	11.7
273.10156	4.8
275.07297	3.1
275.11774	72.8
275.14716	4.5
276.12299	3.3
279.11203	6.8
280.12024	5.9
281.12860	30.3
292.14438	58.4
293.12613	15.6
302.12473	2.4
310.15482	44.0
311.15942	2.4
313.09274	3.2
314.12314	17.2
323.01578	2.3
336.12991	2.8
341.02686	2.4
343.15021	8.2
353.08450	3.9
354.08939	13.8
354.14334	7.8
377.01755	7.3
387.13983	47.3
398.21609	27.4
398.25528	2.4
399.14081	3.0
399.22040	41.2
429.16556	8.2
441.16098	4.0
443.18134	85.4
444.18536	3.2
455.18265	20.7
472.20786	81.3
473.20853	4.1
516.13647	25.9
516.19684	82.9
516.28595	4.1
516.30609	3.7
517.14972	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	516.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09124	2.1
53.03940	4.3
54.03471	2.7
54.42313	2.1
55.01865	7.1
55.05496	4.8
57.03445	3.9
58.99578	5.2
65.03925	2.6
67.05505	19.6
68.05025	5.0
69.03427	55.9
69.07059	8.8
69.59225	8.8
70.06582	3.7
71.72044	2.2
79.05485	13.3
80.05005	11.9
81.03413	29.3
81.07064	16.3
82.06590	17.1
83.04984	14.8
83.29452	2.5
84.04510	16.5
85.02879	15.9
85.06530	2.5
86.99053	4.6
87.04454	2.8
88.02202	6.4
88.05708	2.1
90.59610	2.0
91.05473	20.8
93.07033	18.9
93.79720	2.3
95.04945	16.4
95.08614	20.7
96.04491	14.6
97.01096	2.7
97.02876	5.2
97.06528	6.5
98.00662	2.6
98.06043	9.2
98.06720	2.3
98.22690	4.5
99.02635	2.9
99.04465	2.8
100.11192	3.1
101.00597	3.2
105.07015	22.0
107.04935	6.4
107.08588	17.4
108.04478	15.1
109.02932	2.6
109.06505	10.2
109.10136	8.0
110.06035	60.7
110.86449	2.2
111.04436	6.2
111.11703	4.6
112.02196	21.8
113.05997	30.2
114.03749	5.5
115.02103	5.7
115.05478	3.8
116.01695	5.1
117.00098	2.9
117.06985	14.7
119.08575	27.4
121.02853	3.0
121.06496	13.6
121.10096	12.3
123.08073	6.6
123.11762	2.6
124.03931	2.7
126.03690	5.1
126.05505	7.1
127.03902	3.5
128.06197	5.6
129.06984	6.3
130.07776	3.1
131.04906	6.5
131.08568	15.4
133.06496	7.9
133.10153	15.2
135.04422	3.1
135.07982	3.8
135.11710	6.5
136.03932	12.9
137.05994	4.5
140.01640	30.2
140.03354	2.8
141.06976	7.4
142.03223	26.9
142.07755	11.5
143.08553	20.2
145.06496	17.3
145.10126	23.7
147.04405	3.6
147.08011	9.1
147.11690	8.1
149.05952	5.7
149.09566	3.0
149.13235	3.5
153.07010	5.8
154.03204	92.9
154.04984	50.9
155.08546	10.3
156.04753	4.8
156.09312	8.9
157.06444	2.6
157.10143	29.5
159.08043	12.4
159.11684	17.9
161.05922	3.0
161.09612	8.9
161.13266	6.8
163.11169	12.8
163.14876	4.2
165.06946	4.4
166.07782	5.5
167.08574	10.1
168.09306	6.0
169.10066	13.4
170.02672	4.4
171.08032	5.6
171.11685	12.5
172.04288	8.9
173.09608	13.3
173.13240	7.5
175.11180	4.8
175.14981	2.9
179.08560	9.3
180.09329	2.6
181.10150	14.7
182.02725	10.9
183.08015	2.6
183.11703	18.0
185.09570	10.5
185.13243	7.0
186.02173	22.2
187.11191	21.7
188.03778	8.6
189.07220	2.3
189.09013	2.8
189.12637	3.0
191.18005	2.3
192.09254	3.0
193.10130	6.9
194.10928	6.1
195.08090	4.1
195.11723	10.8
197.09624	5.2
197.13225	5.7
198.05878	7.3
199.11234	10.8
199.14821	3.9
200.03777	38.9
201.05502	5.7
201.12733	10.0
203.14316	8.5
203.17953	2.5
205.12169	3.2
206.10910	3.3
207.11685	11.1
209.09665	4.7
209.13234	10.8
211.11159	10.1
213.12708	7.2
217.10260	3.9
217.12265	2.7
219.13724	2.4
221.13347	7.2
223.11104	2.8
225.12733	5.6
226.01666	4.0
227.14282	7.1
229.12170	4.7
231.13843	3.6
232.12473	2.9
233.09680	2.9
235.11424	4.0
237.12695	10.3
249.12779	4.7
255.13791	27.1
255.21019	4.2
265.07010	4.3
265.15817	4.3
267.13797	2.8
271.16733	2.6
273.14835	100.0
273.22131	4.3
275.14041	4.2
275.16650	4.4
293.15329	9.9
297.14948	5.0
301.21643	19.1
311.16528	11.5
315.15808	2.3
319.22693	25.6
329.17517	5.8
343.13800	2.6
345.15018	3.7
361.14648	3.6
363.15778	3.0
369.15173	7.3
434.17224	5.5
452.18796	12.7
470.19785	27.3
480.17947	11.0
498.19431	11.3
515.35419	5.0
516.20258	14.1
516.27924	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	516.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01871	10.4
55.74583	1.8
57.07079	6.5
62.18296	1.9
63.20928	1.6
67.05506	6.5
68.77560	1.8
69.03431	11.8
69.07064	8.4
70.02954	7.8
70.06607	2.5
72.04516	18.9
72.11769	1.8
73.02933	9.0
77.81986	1.9
78.85770	2.0
81.03412	19.0
81.95937	1.8
83.04971	5.3
85.02889	9.3
85.06544	8.6
86.09695	4.0
87.08089	2.8
88.88180	1.8
88.90042	1.9
90.05550	39.6
95.04980	8.3
96.08129	2.6
97.02894	9.7
98.02423	18.1
99.04448	5.9
100.03990	5.6
102.66127	2.0
103.07587	3.7
109.02874	31.8
109.49049	1.7
113.06000	6.1
116.03459	19.4
124.07589	23.5
127.03908	16.6
131.07076	2.9
132.06580	8.8
138.05534	2.2
142.08632	18.8
145.04942	6.8
160.09726	5.8
166.08665	6.5
169.05243	2.1
172.09726	4.6
174.11313	5.2
181.04938	3.6
184.09697	35.5
185.10190	1.8
198.07675	5.0
199.06030	6.1
202.10721	100.0
203.11386	3.2
211.09602	9.8
216.08620	3.3
217.06970	2.3
220.11778	25.0
230.10274	8.9
232.85893	2.2
234.07661	2.1
234.09785	8.4
256.58203	1.9
262.12875	23.4
277.07584	2.2
289.71689	2.4
310.12839	9.0
323.01544	6.6
328.13879	79.2
329.14471	3.4
341.02695	6.9
346.14954	15.1
364.16000	36.5
498.22134	2.6
516.13885	15.2
517.15192	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	516.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.05527	1.8
55.88258	1.2
57.07050	2.1
58.05735	1.4
59.76693	1.5
67.05494	1.9
68.84705	1.4
69.79953	4.2
69.80310	2.0
70.17140	1.4
71.08624	1.7
77.03938	1.8
79.05502	6.5
81.07048	1.8
85.10175	2.1
87.04463	8.0
89.06026	4.2
91.05473	13.5
93.07042	11.9
95.04974	5.0
98.22757	1.9
103.05473	7.1
105.04490	2.0
105.07024	100.0
106.07324	2.4
109.06545	2.3
111.08092	1.4
112.45779	1.4
117.06984	1.7
119.04973	2.6
119.08605	6.0
121.05623	2.6
121.06501	52.7
124.03976	4.4
127.01561	24.6
129.06987	4.2
131.08588	4.0
133.08658	1.9
133.10149	3.9
145.10056	1.8
147.08038	24.9
149.09589	7.7
153.03111	8.0
165.09108	18.4
222.10439	1.4
223.11116	2.9
225.12698	5.7
255.94315	1.5
269.15317	15.3
291.09879	42.9
316.19818	2.3
317.20239	3.6
343.07928	1.5
373.21341	2.7
375.45740	1.7
395.16232	22.5
397.17526	1.5
516.33325	2.4
517.38062	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	516.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66909	0.9
54.24484	0.8
55.05496	3.6
57.03431	0.9
57.07067	2.2
60.11431	0.8
67.05495	7.8
69.03423	95.4
69.07073	1.5
71.43162	0.8
75.77584	0.7
78.03446	5.3
79.05485	2.6
80.04988	2.3
81.07053	3.2
83.04975	10.7
84.15706	0.6
85.02883	1.0
85.52882	0.7
91.05463	5.3
93.07021	2.9
95.04971	2.0
95.08595	3.2
96.04472	2.4
97.06522	2.6
105.07021	5.2
106.02890	8.2
107.08572	1.4
109.10150	0.8
113.05997	65.5
115.05435	1.1
115.07633	0.9
117.06995	1.8
119.08565	3.8
121.10101	1.2
124.03942	100.0
125.04256	1.0
128.06190	1.4
129.06990	3.5
131.04932	1.6
131.08585	4.9
133.10118	2.3
135.08041	0.9
141.06990	1.4
142.07780	2.4
143.08548	5.3
145.10127	5.5
147.08034	1.2
147.11690	1.4
153.06874	1.1
154.07765	1.1
155.08516	3.9
156.09273	2.3
157.10086	5.7
159.08075	1.1
159.11693	3.4
161.09645	0.9
165.06981	1.8
167.08557	2.7
168.09282	1.9
169.10086	5.1
170.10820	0.8
171.11694	4.6
173.09659	1.1
173.13248	3.3
175.11118	0.8
179.08516	2.9
180.09305	0.9
181.10098	4.5
182.10904	1.5
183.11676	5.7
184.12251	1.3
185.09634	1.3
185.13219	3.9
187.11209	1.5
189.12741	1.4
193.10115	2.1
194.10835	1.5
195.11705	3.6
197.13249	2.7
199.11241	1.3
199.14873	2.7
201.12715	2.1
203.08519	1.0
203.14285	4.9
205.04985	0.9
205.10037	1.5
206.11029	1.1
207.11639	2.8
209.13237	5.6
211.11282	1.2
211.14706	4.5
215.14284	1.0
220.12392	0.9
221.13242	0.9
223.14832	2.5
227.14296	3.2
231.11687	1.0
235.14816	1.8
241.12071	1.0
245.15343	1.6
246.24301	4.3
251.17903	1.9
253.15784	2.3
261.16312	1.6
269.08005	2.0
269.19025	1.8
279.17401	2.5
297.18478	6.2
315.19458	5.6
326.17465	2.9
344.18604	1.9
438.22705	2.8
456.23401	1.0
498.17755	1.4
523.97601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.5
53.03941	0.7
54.30989	0.5
55.05507	2.8
56.42324	0.5
57.07069	0.5
57.87243	0.4
67.05485	3.2
69.03422	10.1
69.07050	1.0
69.60255	1.8
72.53419	0.4
74.04002	0.4
78.03441	3.7
79.05483	3.1
80.05031	2.4
81.03412	1.5
81.07047	4.1
83.04975	7.4
83.08628	0.9
85.06521	0.6
91.05468	3.6
93.07039	4.7
95.04970	1.2
95.08595	4.9
96.04468	1.8
97.06478	0.6
97.90645	0.4
104.46501	0.6
105.07008	5.1
106.02905	5.3
107.08580	3.0
109.06494	1.1
109.10144	1.0
111.04434	25.2
111.08060	0.5
112.34897	0.5
113.06007	2.2
117.07014	1.8
119.08574	6.2
121.01393	0.4
121.06499	1.0
121.10135	2.1
124.03941	100.0
124.66322	0.5
125.04305	1.2
128.06201	1.0
129.05476	1.7
129.07010	1.6
131.08572	5.7
133.10146	3.7
135.07990	0.6
135.11656	0.5
141.07019	0.9
142.07761	1.9
143.08543	3.7
144.09346	0.7
145.10109	8.2
147.08066	1.0
147.11659	2.2
149.09647	0.9
155.08528	3.0
156.09354	1.3
157.10101	5.9
158.10776	0.6
159.08018	0.6
159.11667	5.4
161.09535	0.6
161.13245	2.1
162.46443	0.5
163.11224	0.6
165.07002	0.9
166.49702	0.5
167.08559	1.6
168.09315	1.1
169.10112	5.0
170.10909	0.9
171.11667	2.8
173.09634	0.7
173.13281	1.8
175.11139	1.0
175.14821	0.9
177.16344	1.6
179.08522	1.7
180.09384	0.8
181.10072	3.5
183.11673	5.5
184.12416	0.8
185.09593	0.7
185.13263	3.1
187.11189	1.1
187.14786	7.7
189.12730	0.6
192.09235	0.7
193.10069	2.6
194.10864	1.4
195.11685	3.3
196.12465	2.6
197.13229	2.9
199.11180	0.9
199.14822	1.5
201.12773	1.5
201.16370	1.4
203.14272	1.0
205.10081	1.3
205.15863	7.3
207.11667	1.9
208.12498	0.6
209.13170	3.8
210.14069	0.7
211.14771	4.4
212.15511	0.6
213.12796	0.7
213.16417	1.2
215.14293	1.3
220.12483	1.9
221.13228	0.9
223.11145	0.6
223.14801	1.5
225.12700	0.6
225.16336	4.0
227.14247	1.7
229.15814	2.5
233.13425	0.7
235.14868	4.5
236.15556	0.7
237.12830	0.6
237.16324	1.4
251.17958	3.4
253.15843	4.4
255.17377	0.7
261.16339	1.1
269.18979	2.7
271.16910	0.7
279.17346	4.6
280.53107	0.5
287.20325	0.7
297.18466	7.9
315.19611	3.3
326.17511	1.2
328.18985	6.6
414.81421	0.5
420.21576	0.9
438.22565	2.6
456.23517	1.1
516.25604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
53.03937	0.8
55.05504	4.2
65.03926	3.3
67.05501	3.3
68.99784	2.6
69.00159	0.6
69.03429	13.3
69.07059	1.5
70.01884	0.7
74.37942	0.7
76.70331	0.7
78.03432	3.7
79.05489	3.1
80.04997	2.2
81.03423	2.3
81.07054	5.6
83.04977	8.4
85.02876	0.9
91.05476	22.7
93.07056	5.1
94.14714	0.6
95.04943	2.2
95.08581	4.8
96.04488	3.9
97.06552	0.9
98.22676	1.1
103.05474	4.2
105.07035	6.4
106.02928	5.3
107.08581	2.9
109.06518	1.1
111.04436	22.8
113.06004	2.9
115.05437	2.7
117.07004	2.8
119.04939	34.5
119.08580	5.8
119.44949	0.8
121.06534	1.2
121.10139	3.1
124.03944	99.5
128.06206	1.4
129.06993	2.2
130.07764	1.7
131.04912	14.6
131.08586	5.6
133.10130	3.1
135.11638	0.9
141.06981	2.2
142.07761	1.6
143.04948	1.7
143.08566	4.7
145.10136	7.6
147.04398	100.0
147.11656	2.2
148.04756	2.9
153.07024	1.1
155.08565	2.4
156.09372	1.3
157.10110	7.0
159.11649	4.8
161.13181	1.8
163.00137	0.8
165.06976	1.3
166.07822	0.7
167.08595	1.9
167.50467	0.7
168.09271	1.1
169.10124	5.6
170.10890	1.1
170.98514	0.7
171.11665	2.8
173.09612	1.4
173.13239	1.5
174.07541	0.9
175.11214	1.3
175.14886	1.5
177.16389	1.8
179.08522	3.2
180.09264	1.5
181.10129	2.9
182.10841	0.9
183.11627	5.4
184.12370	0.8
185.00839	3.2
185.13245	4.0
187.14821	7.6
190.01353	1.7
190.99748	1.4
192.02963	2.3
193.10092	2.1
194.10854	1.8
195.11665	4.0
196.12448	2.0
197.13222	3.0
199.14815	1.9
201.12753	1.7
201.16431	1.5
205.10063	1.1
205.15843	7.3
207.11646	2.6
208.02400	2.2
208.12566	1.3
209.00836	1.8
209.13260	4.0
210.14063	1.1
211.14832	5.5
213.16507	0.7
215.07095	3.5
215.14282	1.1
220.12517	1.4
221.13130	1.4
222.14165	0.8
223.14806	1.7
225.12675	1.3
225.16350	4.6
227.14326	1.5
229.04868	1.0
229.15860	2.6
234.03960	2.0
235.14828	5.3
237.16333	1.5
241.04875	1.1
241.15645	0.8
247.09845	0.9
249.00270	1.0
250.03491	1.3
251.18019	3.7
253.15903	4.3
261.16342	1.4
267.06509	2.0
269.18985	3.8
271.05872	1.3
279.17523	4.8
287.20071	1.3
296.09131	2.1
297.18457	8.6
315.19519	2.8
328.18985	5.5
333.20578	0.9
338.10248	2.4
342.56897	0.8
354.09729	6.9
370.12796	7.8
371.12964	1.4
402.77505	0.8
438.22711	3.5
456.23550	1.3
484.13895	3.9
516.16504	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13129	0.7
53.03925	1.0
55.01867	0.8
55.05506	3.0
57.07070	1.0
62.06086	1.4
65.03929	0.8
67.05508	8.3
69.07066	4.6
71.43676	0.9
78.03448	4.9
79.05488	6.7
80.05018	3.3
81.03410	0.8
81.07056	11.4
83.04985	8.6
85.06536	1.6
91.05473	8.7
91.11407	0.7
92.17516	0.8
93.07035	9.7
95.04961	2.4
95.08601	9.9
96.04483	3.1
97.06526	5.9
99.08096	2.7
105.07032	10.4
106.02921	7.2
107.08591	7.7
109.10152	6.4
117.07026	4.7
119.08566	8.8
121.06516	1.4
121.10176	5.9
123.08070	1.5
123.11738	1.5
124.03950	100.0
125.04287	1.3
125.09609	0.9
128.06226	0.9
129.07016	3.1
130.07837	1.0
131.08569	7.0
133.06454	1.0
133.10109	7.9
135.08089	0.9
135.11726	3.2
137.09642	1.9
137.13161	0.7
139.11183	0.7
141.06956	1.8
142.07767	2.5
142.18814	0.8
143.08562	5.1
144.09340	0.6
145.10100	9.0
147.08064	1.8
147.11659	5.3
149.09639	2.0
149.13245	1.6
150.37691	0.7
151.11131	0.9
155.08533	3.3
156.09378	1.9
157.10129	8.1
158.10690	0.7
159.11684	6.3
161.09604	1.7
161.13245	2.7
163.11089	1.6
163.14905	0.8
167.08536	1.9
169.10118	4.9
170.10889	1.2
171.11661	6.8
173.09592	1.1
173.13217	5.6
175.11215	1.7
175.14812	1.5
177.12645	0.8
177.16415	1.0
181.10095	3.5
182.10861	0.7
183.11714	5.0
184.12505	1.1
185.13266	7.8
187.11212	1.8
187.14784	3.7
191.14339	1.1
195.11697	2.3
197.13176	4.2
199.11205	1.2
199.14772	3.7
201.12752	1.7
201.16296	1.0
203.14262	3.0
205.15837	1.2
209.13283	4.6
211.14790	1.4
213.12735	1.6
213.16371	5.2
215.14267	1.7
217.15901	1.4
217.53467	0.7
221.13286	1.1
223.14926	2.4
225.16249	0.9
227.14259	1.9
227.17868	1.7
229.19485	2.0
231.17543	1.0
237.16284	3.3
239.17940	4.1
241.15834	2.1
249.47935	0.7
255.17491	1.5
255.21078	2.5
257.19186	1.6
265.19586	4.4
271.20520	1.6
273.22043	4.6
283.20572	14.7
295.44421	0.7
301.21649	14.5
302.21890	0.8
306.99213	0.7
397.21063	0.8
424.24631	5.3
516.37433	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	516.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20269	0.2
55.01871	0.2
55.05500	0.3
62.25037	0.1
63.47635	0.1
65.03954	0.2
67.05519	0.4
68.99794	0.3
69.03431	0.5
69.07056	0.4
70.06567	0.1
71.04993	0.2
72.08161	0.2
73.02912	0.3
79.05482	0.8
81.03420	0.5
81.07054	0.4
85.02902	1.3
86.06055	0.2
87.04467	100.0
88.04794	0.7
89.06034	1.4
91.05489	0.5
93.07034	0.3
94.06579	0.3
95.04964	0.4
95.08614	0.6
97.02879	0.4
97.06528	2.2
98.06861	0.3
98.22735	0.5
103.05386	0.2
105.01901	0.3
105.07030	0.5
105.61996	0.2
107.04951	0.5
108.04473	0.2
109.02868	0.4
109.06519	0.3
111.04469	0.2
113.06006	0.2
117.07036	0.2
117.09184	0.2
118.05139	0.1
119.04971	0.4
119.08616	0.3
121.02867	2.8
121.04155	0.2
122.03211	0.2
123.04424	0.2
123.08057	1.0
124.08426	0.6
125.06071	0.3
127.03940	0.5
131.07042	1.6
131.08604	0.2
132.04448	0.2
133.06480	0.5
133.08611	0.7
133.10132	0.2
135.04416	0.4
135.08092	0.3
137.02390	0.3
137.05986	0.5
138.05499	4.4
143.08499	0.2
145.02838	0.2
145.04967	0.2
147.04434	0.7
149.05992	0.2
151.03900	0.3
151.07564	0.4
152.07875	0.3
159.02863	0.1
159.04462	0.2
163.03923	0.4
163.07559	0.2
164.04268	0.2
165.01816	0.2
165.05473	0.3
169.08582	0.2
173.02319	0.2
174.02658	0.1
175.03864	0.2
175.09682	0.3
177.05490	0.3
177.11285	0.2
191.07031	0.2
193.10625	0.2
201.05435	0.2
215.07030	0.3
215.10944	0.2
216.07365	0.3
219.06483	0.4
219.12259	2.0
224.05585	0.3
232.02563	0.2
233.11728	0.6
237.07523	0.4
238.07948	0.2
240.05743	0.2
247.06081	0.7
248.06313	0.7
253.30898	0.2
259.09665	0.4
260.10049	0.7
262.10773	0.2
263.15021	0.2
265.07016	1.7
266.07458	1.3
271.08932	0.2
275.12848	0.4
283.08209	0.5
284.08481	0.2
296.52078	0.2
301.21741	0.2
319.22690	0.2
322.12778	0.3
326.73651	0.2
341.13864	0.3
345.87451	0.1
354.15515	0.3
386.08679	0.3
387.09390	0.2
419.12091	0.3
436.14725	0.2
457.26364	0.2
462.16281	0.3
480.17151	1.1
484.15933	0.4
498.18155	0.6
516.19232	0.9
516.29742	3.6
517.21362	0.2
535.18640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92877	0.9
57.06819	1.5
57.07073	18.9
59.04999	100.0
60.37969	0.9
60.42318	0.8
69.07053	3.6
69.19621	4.2
69.20036	2.4
71.08628	38.4
73.06541	1.5
77.03935	1.5
79.05470	1.4
81.07047	1.5
83.08599	1.0
85.10181	17.9
87.04475	4.5
89.06027	11.8
91.05477	9.8
93.07036	9.3
95.04966	3.7
95.08582	1.5
103.05460	2.7
103.07575	71.5
104.06254	1.1
104.07943	1.3
105.04500	1.5
105.07024	5.2
107.04932	1.7
107.08593	2.0
112.38876	0.8
112.42068	0.8
117.07023	1.7
119.04922	2.2
119.08588	2.8
119.84394	1.0
121.06496	29.5
121.10123	2.2
121.21362	1.0
131.08572	1.3
133.08589	7.0
135.08011	2.6
145.10043	1.9
147.08070	6.8
147.10149	28.3
147.11363	1.7
149.09589	3.8
159.11707	1.9
165.09114	14.6
177.11269	1.3
177.12791	1.5
184.76326	1.0
191.10648	1.4
191.12788	1.8
209.11743	8.1
235.13310	1.1
247.20555	13.8
291.23187	18.6
331.32224	1.3
335.25781	2.9
373.22211	5.6
373.33981	1.1
391.23212	2.9
447.33017	1.1
499.36594	1.2
516.38910	14.5
517.29700	1.7
517.37140	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	517.1346
Annotation	Formononetin 7-O-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
53.02626	0.2
53.03940	0.4
68.99799	0.2
69.03439	1.0
69.75539	0.7
70.06588	0.3
70.51315	0.2
71.04971	0.2
77.03948	0.2
81.03410	0.8
85.02901	1.7
87.00822	0.8
97.02920	0.4
99.04462	0.4
100.99158	0.2
103.05472	0.4
105.01847	0.3
105.03360	0.3
109.02867	0.7
112.03967	1.3
113.04303	0.3
124.01595	0.3
127.03912	1.0
129.03355	0.6
131.04938	0.8
145.04932	0.2
152.06059	0.2
156.02168	0.2
159.02893	0.3
167.03424	1.6
171.04419	0.2
201.05473	0.2
209.05927	0.4
226.06218	7.1
254.05759	4.0
255.06352	0.2
259.96677	0.2
269.08069	100.0
270.08438	3.4
354.13327	0.2
355.13870	0.4
369.03909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16151	1.0
53.86257	1.1
67.01865	1.6
68.99791	33.0
69.00161	2.1
69.03438	2.2
69.71764	3.9
70.06609	1.3
77.03930	1.1
81.03407	1.7
83.04958	1.9
91.05492	13.3
95.01317	1.2
95.04966	2.5
98.23477	2.0
98.76300	1.0
103.05466	31.9
105.03384	1.3
105.07024	12.1
106.79093	1.1
111.04411	2.4
112.03976	2.1
115.05454	23.9
119.08608	1.2
123.00801	1.2
124.03960	14.3
125.04276	2.6
126.17391	1.0
126.25112	1.1
129.06999	4.6
131.04924	100.0
132.05257	1.8
133.64032	1.1
139.00269	5.6
141.07062	1.4
143.03403	2.1
143.04916	24.5
155.04927	1.8
157.01375	1.3
157.06526	4.4
163.00256	8.7
165.01843	2.8
165.85062	1.1
166.99760	8.4
173.05984	2.0
181.01355	2.7
183.04462	2.2
185.00809	41.6
190.99765	14.8
197.05905	1.2
202.99692	2.0
205.01305	4.6
209.00813	21.2
211.03886	6.6
215.07033	39.3
221.05846	1.6
225.05421	2.4
227.01866	1.8
229.04944	11.6
230.99229	4.5
233.08115	11.8
237.05670	1.1
239.07074	1.6
241.04980	1.8
243.06529	2.6
247.09641	13.4
249.00233	9.0
249.05363	1.8
253.04945	1.2
265.04880	1.9
267.01370	2.1
267.06519	24.6
270.05228	1.1
271.06027	39.4
276.99762	1.2
283.05954	1.4
293.04422	4.8
295.06009	16.0
307.06094	1.2
313.06937	2.4
335.05438	4.7
353.06567	3.6
363.04935	7.2
371.12857	7.5
381.05991	3.7
381.69141	1.1
395.07773	2.5
397.10687	6.0
439.11594	5.7
467.11148	10.3
477.93338	1.3
485.12067	3.8
511.50931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82077	1.4
68.89800	1.3
68.99790	34.8
69.03421	3.9
81.03441	1.4
83.04993	1.9
91.05486	11.3
95.01344	2.0
95.04955	3.6
95.08614	1.4
103.05465	31.3
105.03381	1.7
105.07026	15.3
110.99972	1.2
111.00767	1.3
111.04457	5.9
115.05462	23.8
123.00806	1.9
124.03936	15.2
125.04333	2.8
129.07008	5.1
131.04929	100.0
131.08553	2.0
133.10080	1.6
135.00858	2.0
139.00281	5.7
143.04918	28.1
153.07027	1.6
155.04933	4.2
157.01393	1.5
157.06511	2.4
157.10179	2.2
159.11691	1.6
163.00266	7.5
165.01761	3.8
166.99759	7.1
173.05971	2.8
178.94585	1.5
181.01292	2.3
185.00806	48.2
190.99739	18.6
197.13152	1.4
202.99640	1.5
205.01382	5.6
207.11603	1.6
209.00818	21.8
211.03940	4.6
215.07025	40.9
225.05299	1.8
229.04974	12.0
230.99258	6.1
233.08110	11.6
239.06944	2.0
241.05275	1.5
247.09659	12.6
249.00420	7.3
249.05432	1.8
253.05083	1.6
267.01474	3.1
267.06479	24.8
271.06009	35.9
276.99927	2.3
293.04385	3.2
295.05933	13.6
297.18488	1.5
313.07126	3.7
335.05664	5.0
353.06567	4.0
363.04904	4.4
371.12750	10.3
381.06094	4.5
395.07718	1.9
397.10635	6.0
432.56216	1.6
439.11810	6.9
467.11273	6.2
485.12131	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	517.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13156	0.8
54.38847	0.8
55.01870	1.2
56.99205	0.8
57.03423	1.4
61.20930	0.7
63.97318	0.8
69.03424	1.6
70.06612	0.9
71.12434	1.3
81.03408	1.4
83.38718	0.9
84.04547	1.0
85.02901	7.3
97.02880	1.9
109.02934	1.5
111.77341	0.8
114.30759	0.8
114.39616	0.7
131.04895	1.4
137.05989	0.9
149.05872	0.8
151.03896	1.9
161.05980	2.1
167.03416	1.4
177.05635	1.0
189.05457	17.8
193.04982	6.9
201.05620	1.7
203.06992	8.7
205.04953	96.6
206.05725	13.3
210.35536	0.9
217.04956	17.4
217.08382	1.2
218.05226	0.9
219.02910	1.1
219.06403	4.1
227.07037	3.6
229.05028	2.8
230.05942	0.9
231.03052	1.1
231.06509	24.7
231.08690	1.6
233.04466	1.9
235.06004	100.0
236.06458	3.3
243.06596	1.7
245.04543	1.2
245.05354	1.2
245.08025	13.0
247.05936	1.1
255.06439	4.1
257.04373	1.5
259.06012	43.1
260.06064	0.9
271.06003	11.3
273.07629	2.8
277.31119	0.8
278.08362	1.0
283.06009	11.1
289.07040	25.8
301.07074	18.5
301.10352	1.4
319.08087	19.1
319.11563	1.5
323.01614	1.9
336.09030	0.8
337.09174	27.0
337.13098	1.3
338.09665	1.1
341.02643	2.4
355.10184	29.7
355.14432	1.6
356.10721	1.5
371.04068	1.9
377.01672	4.3
377.91748	0.9
517.15222	92.2
518.15649	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	517.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63994	1.0
55.05500	1.8
60.30359	1.1
61.02573	1.1
62.77447	1.1
64.47260	1.1
67.05496	2.0
70.55723	1.9
74.10633	1.1
81.07055	1.3
83.04977	1.3
91.05479	2.6
95.08589	2.0
105.07014	1.5
107.08607	1.8
117.07018	1.2
119.08576	1.1
124.03958	3.7
133.10110	1.8
152.53207	1.2
230.10785	1.2
429.16656	4.3
517.21674	100.0
517.27808	72.1
518.22015	5.7
518.28790	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01626	1.4
55.01859	1.9
55.05506	8.3
67.05507	6.9
69.03423	35.5
69.07053	4.0
69.75776	4.9
73.02945	1.6
73.09224	1.2
78.62416	1.3
79.05483	7.5
81.03410	7.3
81.07052	10.5
83.04976	18.8
85.02903	2.4
87.04452	7.6
89.06019	3.9
89.88729	1.3
91.05473	13.5
93.07026	7.3
95.04967	6.8
95.08590	8.8
96.04490	8.2
97.06541	3.8
98.22666	1.4
99.04430	1.8
105.07018	26.4
107.08595	8.3
109.02889	3.3
109.06489	2.5
111.04433	90.2
113.05991	7.4
115.05421	2.6
117.06989	11.3
118.27158	1.4
119.04941	2.6
119.08570	14.1
121.06506	2.6
121.10190	2.2
123.08066	2.1
124.03964	11.1
125.04302	3.1
127.03936	2.3
128.06256	4.6
129.05513	7.3
129.07004	5.6
130.07771	2.8
131.08559	33.2
133.06448	2.4
133.08604	2.6
133.10143	6.5
135.08070	1.9
135.11722	3.0
141.06996	4.0
142.07796	3.1
143.08549	14.8
144.09360	1.5
145.06430	2.3
145.10114	30.4
146.10498	2.3
147.04404	2.7
147.08028	2.6
147.11708	2.4
149.09601	2.1
149.13199	2.1
153.07004	2.3
155.08542	9.7
155.09676	1.5
156.09366	5.4
157.10121	11.4
158.10872	2.7
159.07999	3.1
159.11673	8.6
161.09644	3.8
161.13220	2.6
163.11224	2.8
163.14761	3.0
165.07059	2.9
166.07784	2.1
167.08536	5.8
168.09309	4.0
169.10100	8.2
171.11670	15.9
173.09631	5.1
173.13243	55.8
174.13548	1.5
175.11223	1.9
176.52156	1.4
179.08516	5.6
179.79378	1.7
180.09294	2.6
181.10138	8.9
182.10829	1.7
183.11633	9.0
184.08864	2.0
185.09669	2.6
185.13261	2.0
186.10419	1.5
187.11180	3.3
189.09138	1.6
189.12738	15.2
191.08542	2.0
191.10687	13.5
191.14279	4.2
192.09387	3.4
193.10129	5.8
195.11716	5.9
196.12419	1.8
197.09528	2.4
197.13287	6.3
199.11111	3.4
201.12744	11.2
203.14513	1.5
206.10956	4.7
207.11705	4.1
209.09705	2.6
209.13280	5.3
211.14876	3.5
213.12677	2.9
217.12242	4.7
219.11827	2.2
219.13776	28.0
221.13158	10.1
223.11201	1.8
223.14847	2.4
225.12631	3.7
237.12692	1.6
237.16463	1.9
239.14288	3.8
247.14853	2.0
249.12859	2.0
265.15823	5.8
267.13818	3.3
273.14789	2.2
279.15881	2.8
283.16922	6.1
285.14862	2.6
293.15250	2.7
301.18015	2.0
311.16330	11.2
329.17413	19.5
340.63336	1.4
341.17294	4.3
347.18607	5.1
383.20648	1.8
389.15378	1.5
389.19412	8.4
396.73938	1.5
407.20593	100.0
408.20865	5.5
429.18823	20.8
517.24036	83.4
518.24341	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	517.2715
Annotation	Asp Gln Val Arg
Peak:m/z	Relative Intensity
55.05509	2.0
57.03423	1.2
57.07078	1.3
62.12128	0.7
67.05496	1.5
69.03432	0.7
69.07041	1.2
71.08611	0.8
79.05476	2.4
80.63742	0.7
81.07037	2.0
83.08625	1.2
85.06538	1.0
91.05470	3.1
93.07029	2.5
95.08578	1.3
97.03615	0.8
105.07015	1.7
107.08556	0.9
111.08081	1.3
117.07015	0.9
119.08588	1.3
133.10130	12.0
134.10471	3.4
143.73676	0.8
149.09631	2.4
150.09927	1.3
171.10149	2.5
189.11285	1.7
220.65219	0.8
237.14076	0.8
337.15552	2.3
388.65189	0.9
391.01364	1.0
394.27908	1.7
413.18747	6.6
428.20953	5.7
470.59232	1.1
517.26971	100.0
517.36926	31.6
518.27692	7.5
518.36053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2765
Annotation	Asp Gln Val Arg
Peak:m/z	Relative Intensity
50.71997	0.2
52.55423	0.2
55.05504	0.8
61.46207	0.2
61.62274	0.2
67.05503	0.8
69.07060	0.6
71.04973	0.3
79.05476	1.4
79.82240	0.2
81.07053	1.4
83.04951	1.1
86.25576	0.2
91.05473	1.4
93.07030	1.5
95.04948	0.5
95.08620	1.1
97.06523	0.5
105.07031	1.4
107.08599	1.2
109.06519	0.3
109.10150	0.5
111.08094	0.2
111.17310	0.2
117.07038	0.4
119.08585	1.5
121.10156	1.0
124.03974	0.5
129.07014	0.3
131.08539	1.1
133.10129	0.7
135.11685	0.3
137.09573	0.3
139.03671	1.1
143.08545	0.4
145.10100	1.3
147.11682	0.9
157.10150	0.9
159.11694	0.7
161.09665	0.2
161.13271	0.3
169.10132	0.4
170.39899	0.2
171.11707	0.5
173.13226	0.3
181.10204	0.3
185.13293	0.3
187.14973	0.3
197.13263	0.3
203.14464	0.2
209.13066	0.3
215.14391	0.2
341.20908	0.8
457.25436	0.5
517.27698	100.0
518.28064	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	517.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.05506	22.9
57.03428	5.5
57.07068	5.1
67.05503	38.2
69.07069	18.5
78.02721	1.6
79.05486	43.1
81.07050	77.6
83.08617	11.6
89.06034	3.3
91.05473	48.9
93.07039	52.7
93.07603	3.5
95.04970	11.6
95.08606	50.6
97.06525	3.1
97.10181	3.1
98.22663	5.8
102.76021	1.9
103.05458	3.5
105.03377	23.0
105.04523	4.4
105.07020	82.2
107.08585	53.4
109.06506	2.7
109.10154	18.0
117.07001	17.8
117.98355	1.8
119.08571	61.0
121.10136	34.1
123.11676	9.5
128.06258	3.5
129.05502	2.0
129.06987	9.7
130.07802	2.3
131.08556	40.3
131.09467	3.4
133.08633	3.0
133.10118	54.0
135.11688	18.3
141.06999	4.1
142.07800	9.8
143.08556	18.3
144.09354	5.7
145.10117	45.2
147.11679	44.2
149.13277	9.0
155.08521	9.1
156.09352	6.0
157.10114	24.2
158.10936	3.7
159.11690	43.1
160.00531	1.6
161.13248	19.4
163.14838	2.5
164.33635	1.7
167.08551	3.1
169.10136	13.6
171.11702	22.6
173.13261	27.0
175.14799	8.6
176.98769	1.7
181.10164	5.8
182.10933	2.9
183.11687	13.9
185.13229	20.9
187.14780	11.7
189.16461	5.1
194.11079	2.0
195.11726	5.2
197.13231	13.0
199.14720	9.7
201.16383	15.4
208.12271	1.9
209.13338	6.0
210.14075	3.8
211.14787	10.2
213.16353	11.3
215.17940	3.1
223.14937	5.4
223.40959	1.8
225.16469	7.1
227.18028	10.8
230.86499	1.8
237.16420	4.1
239.17969	5.2
241.19757	4.4
251.17955	4.2
253.19586	6.3
259.20517	4.3
267.21140	8.0
279.21191	5.1
293.22580	2.3
335.27283	14.6
395.29501	4.7
407.33240	5.2
425.33939	8.8
443.35327	7.8
499.37741	14.7
517.38220	100.0
518.38776	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	517.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40275	0.2
52.98716	0.2
58.53113	0.2
60.22805	0.2
62.00801	0.2
64.86708	0.2
67.05510	0.3
67.78958	0.2
69.07046	0.4
69.32784	1.3
81.07039	0.4
95.08611	0.3
96.10210	0.2
104.05449	0.2
105.07014	0.4
107.08578	0.3
119.08604	0.3
123.90208	0.2
124.03937	0.4
144.04007	0.3
227.78122	0.2
328.04623	0.2
467.74469	0.3
517.37079	100.0
518.37482	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	517.3883
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.53835	0.5
53.03943	0.9
55.01866	0.8
55.05259	0.8
55.05510	11.2
56.92730	0.6
57.03437	3.5
57.07061	1.7
65.03934	1.6
67.05499	23.4
68.41476	0.5
69.03413	0.6
69.07064	10.4
69.64513	2.1
71.04984	1.2
71.08650	0.6
77.00563	0.5
79.05486	19.3
81.07050	28.6
83.04974	1.5
83.08616	6.0
85.06532	1.5
85.10217	0.6
87.04466	0.6
89.06045	2.5
91.05471	16.1
93.06441	1.3
93.07034	23.7
95.04966	3.8
95.08600	22.1
97.06546	2.0
97.10156	2.7
98.22648	0.8
99.08116	1.0
105.04526	2.0
105.07024	21.8
107.08584	16.1
109.06530	1.0
109.10154	10.1
111.08110	1.2
111.11733	0.7
115.05445	0.6
116.06277	0.7
117.07000	7.4
119.08568	19.5
121.06498	1.3
121.10129	13.3
121.10981	0.8
123.08058	1.0
123.11709	4.2
125.09647	1.1
128.06197	0.8
129.06985	3.1
131.08554	13.4
133.08609	1.0
133.10114	15.9
135.11673	7.2
137.09583	0.7
137.13272	1.3
141.07011	0.8
142.07790	0.9
143.08571	5.2
145.06822	0.7
145.10107	13.7
147.11665	10.8
149.09668	0.7
149.13231	6.0
155.08571	2.0
157.10133	4.8
159.11684	11.7
159.12962	1.0
161.13216	5.9
163.11201	1.0
163.14854	1.9
165.08994	0.7
169.10136	2.0
171.11678	5.2
173.13239	7.6
175.11122	0.8
175.14819	3.6
177.16461	0.7
181.10114	1.2
183.11737	1.7
185.13225	3.8
187.14804	4.9
189.16357	1.5
191.14359	1.1
191.17943	0.9
195.11664	0.7
197.13255	1.3
199.13232	1.1
199.14894	3.4
201.16342	2.6
203.18040	0.6
211.14870	2.0
213.16461	2.6
215.18016	0.9
216.84520	0.5
217.15849	0.8
219.17326	0.6
220.55876	0.6
223.14926	0.9
225.16463	1.4
227.18103	1.2
231.17528	0.9
237.16360	0.6
239.18073	0.8
241.18037	2.0
245.19106	0.9
247.17133	0.6
247.20412	0.6
249.18369	0.9
253.19411	0.7
255.21185	0.7
257.18884	0.7
259.20581	3.2
261.22098	1.3
273.22095	0.9
281.21082	0.7
283.24225	0.6
285.22076	1.6
287.23773	1.7
289.21466	0.6
299.23749	1.5
301.25333	1.3
303.23419	0.8
313.25177	1.7
315.23264	1.1
317.24716	0.7
327.27112	1.2
331.26471	0.6
333.24399	1.7
347.26013	0.7
356.10828	0.7
360.20831	0.8
369.28055	0.8
391.28476	1.2
405.30072	1.6
407.32983	3.6
419.31851	1.2
425.34128	12.1
433.29462	0.7
443.35184	6.1
461.36691	0.8
481.36600	0.9
499.37766	15.4
500.37619	0.8
517.38452	100.0
518.38721	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29347	0.2
50.31219	0.2
51.02387	0.4
53.03949	1.2
55.01870	2.8
57.03432	0.7
60.04521	0.4
61.02918	0.9
65.03933	0.3
68.99785	0.9
69.03426	4.1
70.06581	0.7
71.04995	0.5
71.40719	0.3
73.02897	0.9
77.03922	0.4
79.05489	4.7
80.04991	0.3
81.03410	4.8
85.02896	8.4
87.00822	3.5
89.03911	0.5
90.04698	0.5
91.05466	1.3
95.04955	1.3
95.08606	0.3
97.02882	4.2
99.04461	1.6
103.05463	6.1
105.01865	2.0
105.02487	0.4
105.07022	49.4
106.07355	0.8
107.04921	0.3
108.04474	2.6
109.02866	3.8
109.03556	0.4
115.05447	9.6
117.01814	0.6
118.04150	4.1
121.06450	0.2
126.05552	1.3
127.03908	5.5
129.01817	0.5
131.04906	2.5
132.05731	0.5
133.06480	51.3
134.06815	0.8
143.04897	1.1
143.06009	4.9
145.04938	2.8
147.02864	0.4
148.17607	0.2
151.03886	0.4
159.02875	2.1
159.11722	0.3
161.05965	100.0
162.06311	1.8
163.12206	0.2
178.06245	0.3
185.00824	0.2
193.08588	89.5
194.08876	1.6
201.05412	0.3
203.06935	0.3
221.04492	0.3
230.06624	0.5
231.04956	1.0
235.02304	0.3
248.07640	1.4
266.08545	0.5
269.07892	0.3
270.08307	0.5
271.06000	2.3
342.13202	0.3
353.52914	0.3
442.10037	0.2
449.73993	0.3
455.67291	0.3
477.67770	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	518.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61045	0.6
70.00532	1.3
70.00858	1.5
70.06586	2.7
72.08138	0.9
74.89084	0.7
77.00887	2.1
84.08148	3.8
86.09698	2.0
91.05421	0.8
93.07047	1.7
95.01940	1.2
98.23448	0.7
102.05504	1.0
103.05450	4.7
111.44988	0.7
120.08092	100.0
121.08426	2.0
128.99043	0.8
129.10217	1.9
131.04893	1.4
133.02249	0.9
147.00117	2.7
151.06094	0.9
160.06094	2.7
166.08565	5.3
178.07130	3.3
179.05647	0.8
180.08676	1.5
188.05611	2.0
189.08798	0.8
200.07944	1.4
205.08240	1.1
206.06598	27.9
207.05005	1.7
207.07196	2.0
216.07458	4.0
218.08977	1.6
221.05260	2.0
224.07657	17.4
225.06027	1.1
225.08041	1.0
232.07082	1.0
233.66737	0.6
234.08359	0.9
242.08711	25.4
243.08942	1.2
261.07291	1.1
262.07852	4.8
280.09201	1.4
289.11768	4.3
294.06897	1.1
307.12842	4.7
308.11429	1.1
317.11288	3.2
325.14047	3.2
325.53824	0.8
326.12375	1.7
327.15097	0.7
335.12329	10.9
336.10791	1.4
353.13428	30.4
354.13547	1.4
371.14474	89.0
372.14761	4.1
389.15363	3.4
391.11435	0.8
394.16049	1.8
518.28619	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	518.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95766	0.7
53.03949	0.8
53.56196	0.6
54.30493	0.6
55.05504	4.3
57.03446	1.2
58.24382	0.7
61.01122	2.0
67.05509	7.3
68.05823	1.4
69.07063	3.7
69.09496	1.6
69.09903	3.4
73.04750	7.0
73.06556	1.7
73.18199	0.9
74.41889	0.7
75.02663	0.9
77.00603	33.3
79.02172	2.2
79.05489	6.1
80.05837	0.7
81.07056	9.6
82.07388	1.5
83.08617	2.4
89.06035	8.3
91.05875	11.0
92.05820	1.7
93.03711	1.1
93.07043	6.7
94.07384	2.1
95.01642	100.0
95.04989	1.3
95.08624	7.5
96.08942	2.1
97.06584	0.9
99.02679	2.6
101.04221	2.2
103.02184	0.8
105.07019	6.0
106.07367	1.5
107.08606	4.7
108.08897	1.4
109.10143	3.0
110.10492	1.3
113.02678	2.9
114.07346	1.3
117.03692	2.7
117.07366	5.6
117.09145	0.7
118.03208	7.1
118.07430	0.8
119.01604	2.3
119.08589	5.8
120.08893	1.1
121.03182	5.8
121.10149	3.0
123.11672	0.8
131.08574	4.4
132.08900	1.2
133.08655	1.3
133.10118	4.8
134.10446	1.9
135.11714	1.7
136.12033	0.8
145.06799	55.4
145.10066	3.8
146.06981	0.8
146.10495	2.3
147.04721	31.6
147.11699	2.8
148.12009	1.7
149.13303	0.9
157.10094	0.9
159.10522	0.7
159.11705	3.0
160.12064	0.9
161.09993	3.4
161.13258	1.4
165.05826	4.1
167.05667	1.6
169.03471	1.6
171.11678	0.8
173.13251	1.8
174.13669	0.9
175.15027	0.7
185.13167	0.8
186.13608	0.9
187.14760	1.4
189.09419	19.2
191.07364	9.5
200.54829	0.8
205.12553	1.2
233.12054	12.0
235.09895	1.6
239.09445	6.1
265.11072	1.6
321.17273	14.2
408.33408	0.9
426.34329	3.0
444.35342	1.3
462.36548	1.0
500.38135	3.8
517.38324	2.0
518.39063	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	518.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89031	0.2
57.03428	0.3
59.62047	0.3
59.76891	0.2
65.72920	0.2
67.01884	0.5
67.17019	0.3
69.03417	0.9
71.43157	0.3
73.02913	0.4
73.06551	0.5
81.03419	0.6
85.02896	1.1
87.00842	0.5
87.04462	100.0
88.04805	0.8
89.06025	18.0
91.05461	0.4
97.02855	0.4
98.97587	0.3
99.04447	0.4
106.86176	0.3
107.06990	0.3
109.02869	0.5
117.09115	0.5
119.04922	1.3
123.00806	0.4
127.03896	0.4
131.07043	2.8
133.08592	10.6
137.05978	0.5
145.02823	0.3
147.04405	1.3
151.03955	0.3
153.01759	1.7
159.11658	0.3
175.09653	0.3
177.11208	3.3
190.99718	0.3
194.36833	0.3
201.05452	0.2
202.05673	0.3
209.00731	0.4
218.99315	0.6
219.12260	3.0
221.13818	0.5
237.00293	1.6
237.02477	0.3
251.01868	0.3
255.01382	0.8
271.05984	38.4
319.10181	0.3
320.32013	0.3
345.57452	0.3
381.05969	1.7
421.08994	0.3
501.29138	1.3
519.24146	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.7
57.88465	0.1
58.06627	0.6
59.07389	0.2
60.08159	7.0
67.05500	0.7
69.13661	0.2
69.14063	0.6
71.07367	3.6
79.05484	0.5
81.07037	0.3
86.09698	33.5
87.10006	0.2
91.05492	0.2
93.07012	0.3
95.08591	0.2
98.98456	3.5
104.10738	3.3
124.99992	24.3
137.05989	0.3
143.01033	0.2
170.10728	0.1
176.25951	0.1
184.07323	100.0
185.07710	0.9
258.11047	0.2
335.25620	0.2
348.93216	0.1
500.31158	0.8
518.21631	0.2
518.32257	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	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09026	0.3
55.05506	0.8
56.05028	1.5
57.03447	0.6
58.06576	1.4
58.73016	0.3
59.07385	0.5
60.08159	17.9
67.05510	3.0
69.07073	0.7
69.41135	0.8
69.41543	0.7
71.07367	6.9
79.05485	1.8
81.07036	1.6
86.09699	51.6
91.05482	0.9
93.07023	1.7
95.08585	1.7
98.22649	0.5
98.98451	4.8
104.10735	100.0
105.07019	0.8
105.11091	0.5
107.08578	0.5
109.10130	0.4
119.08604	0.6
121.10139	0.5
124.99995	29.4
163.01541	0.8
184.07326	96.8
185.07668	0.3
258.10938	0.9
335.25717	1.0
380.87216	0.3
403.81174	0.4
416.56110	0.4
440.54984	0.3
500.31287	7.2
518.21240	4.1
518.32141	19.2
519.22803	0.3
519.32440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02375	0.4
51.51693	0.2
51.74206	0.2
51.74455	0.1
52.03155	0.2
53.03934	0.9
55.05505	6.7
57.07071	1.2
65.03931	2.0
66.04707	0.3
67.05498	12.5
68.05018	0.3
68.05841	0.2
69.07058	5.6
69.98248	0.5
71.08617	0.5
77.03913	1.2
78.03448	3.9
79.05484	18.8
80.05011	4.8
80.05764	0.3
81.07047	28.8
82.07379	0.3
83.08613	2.1
84.86874	0.2
87.04472	0.3
89.06023	0.9
91.05470	26.1
93.07033	23.8
94.07352	0.3
95.04958	5.1
95.08593	17.6
96.04487	4.6
97.10165	0.6
103.05453	2.2
104.06233	0.3
105.04533	2.2
105.07018	51.6
106.02905	7.4
106.07352	0.8
107.08581	20.6
109.06509	0.8
109.10144	8.2
110.10545	0.2
115.05409	2.2
116.06231	1.0
117.07005	9.3
118.07827	0.2
119.06174	1.1
119.08568	38.1
120.08886	0.6
121.06505	0.4
121.10133	11.9
122.02522	0.2
122.10453	0.2
123.08079	0.4
123.11685	2.2
124.03938	100.0
124.92510	0.2
125.04285	1.2
125.05054	0.2
127.01600	0.2
127.07566	0.2
128.06184	2.5
129.06995	4.9
129.47224	0.2
130.07787	3.4
131.08554	16.0
132.09341	0.3
133.10115	17.7
134.10536	0.2
135.11674	4.4
137.05971	0.2
137.13239	0.5
139.01552	0.2
141.06961	2.1
142.07767	4.3
143.08542	8.8
144.09312	3.1
145.10104	25.0
146.10594	0.7
147.07990	0.4
147.11670	15.2
148.12077	0.2
149.13257	1.9
153.06987	0.7
154.07724	0.8
155.08528	4.2
156.09326	2.6
157.10109	11.7
158.10930	1.4
159.11676	21.8
160.12286	0.6
161.13237	6.0
163.14854	0.5
165.06969	0.6
166.07715	0.5
167.08582	1.2
168.09296	0.9
169.10112	5.6
170.10904	1.4
171.11668	8.3
172.12373	0.6
173.13240	7.4
173.14738	0.4
174.13625	0.2
175.14790	3.6
177.11203	0.2
177.16356	0.3
179.08522	0.6
180.09328	0.7
181.10104	2.5
182.10905	1.0
183.11667	5.3
184.12418	0.7
185.13231	7.1
186.13857	0.6
187.14792	6.9
188.15346	0.5
189.16364	1.4
193.10094	0.6
194.10876	0.6
195.11661	2.9
196.12379	0.8
197.13235	5.1
198.13889	0.6
199.14786	4.6
201.16354	6.7
202.16829	0.2
203.18065	0.3
207.11589	0.5
208.12463	0.4
209.13234	3.0
210.13983	0.7
211.14778	4.8
212.15407	0.3
213.16341	5.4
215.17957	1.1
221.13277	0.4
222.13959	0.4
223.14774	3.1
224.15538	0.3
225.16350	3.5
226.16949	0.3
227.17918	3.4
228.18372	0.3
235.14790	0.5
236.15616	0.2
237.16360	2.3
239.17926	1.7
241.19461	1.5
243.21103	0.2
249.16347	0.3
251.17917	2.0
252.18620	0.3
253.19487	1.9
254.20190	0.6
255.21039	0.6
265.19458	2.2
266.20032	0.6
267.21027	1.7
279.21082	2.3
280.21329	0.2
293.22540	0.9
307.23959	0.2
335.27295	4.7
458.30692	1.1
518.32568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1134
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.39361	0.2
68.99816	0.3
69.36830	0.9
70.10459	0.2
81.03413	0.2
85.02872	0.3
85.24356	0.1
95.01319	0.6
103.05458	1.8
105.03369	0.9
107.54153	0.2
109.02863	0.3
113.10756	0.1
118.22074	0.2
119.04969	0.3
123.00781	5.5
131.04895	0.3
141.01814	0.5
141.06992	0.2
147.04417	0.7
151.00262	0.2
169.01341	1.6
197.05995	0.2
225.05406	0.9
229.04883	0.2
253.04968	3.1
254.05319	0.2
271.05988	100.0
272.06326	2.8
301.42111	0.2
479.60263	0.2
519.11481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.113
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03940	0.5
55.01823	0.3
57.03404	0.2
61.02893	0.2
67.01813	0.4
68.99766	0.5
69.03422	1.1
69.57614	0.3
71.04960	0.2
73.02875	0.2
81.03407	1.6
85.02892	2.0
87.00819	0.9
91.03887	0.1
91.05425	0.3
97.02873	0.8
98.23447	0.2
99.04449	0.5
105.01811	0.4
109.02856	0.9
117.01807	0.2
119.04922	1.6
121.02839	0.5
127.03886	1.2
129.01794	0.2
141.06818	0.1
145.02798	0.4
145.04951	0.5
153.01799	4.2
159.02885	0.6
163.03821	0.3
171.02861	0.4
187.03996	0.1
188.27315	0.1
225.05377	0.3
229.04861	0.3
243.06459	0.3
247.06032	0.2
271.05957	100.0
272.06305	2.9
338.70578	0.1
357.18710	0.1
487.21024	0.2
519.24109	5.2
520.24841	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	519.1134
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03936	0.2
55.05500	0.4
59.04985	0.5
67.01854	0.4
67.05490	0.5
68.99802	0.4
69.03412	0.8
69.07066	0.4
73.02901	0.3
79.05479	0.3
79.43555	0.1
80.07319	0.2
81.03431	0.8
81.07046	0.9
83.04954	0.8
83.08633	0.2
85.02907	1.1
86.00628	0.3
87.00814	0.2
87.04451	0.8
88.02176	0.2
88.04013	0.3
89.06046	0.8
91.05421	0.8
93.07037	0.6
95.04958	0.3
95.08591	0.9
97.02889	1.2
97.06510	0.5
105.07017	0.6
107.04922	0.2
107.08586	0.7
109.02854	0.5
109.10140	0.6
111.00748	0.2
117.06956	0.2
119.04930	1.9
119.08570	0.7
121.02840	0.8
121.06446	0.3
121.10162	0.5
122.02703	0.3
123.11696	0.3
127.03886	0.8
127.99038	0.2
131.08559	0.4
132.01120	0.3
133.08595	0.5
133.10106	0.4
135.08026	0.2
135.11694	0.4
135.18047	0.2
137.05942	0.9
143.08492	0.3
145.02835	0.7
145.04976	0.4
145.10112	0.4
146.10341	0.2
147.04424	0.4
147.08075	0.2
147.11667	0.3
149.09627	0.3
149.13222	0.3
151.03871	0.2
153.01816	4.4
157.10138	0.4
159.11621	0.3
159.57964	0.2
163.03912	0.5
171.02832	0.4
171.11620	0.3
173.06010	0.2
173.13225	0.2
175.14905	0.2
177.05434	0.3
177.11240	0.2
183.11647	0.2
187.11084	0.3
187.14795	0.3
188.83784	0.2
191.14494	0.2
195.11629	0.2
197.13335	0.4
201.12784	0.2
215.14432	0.2
217.15819	0.2
225.05531	0.2
229.04999	0.3
235.20543	0.2
247.06192	0.2
271.05981	100.0
272.06302	2.8
283.20486	0.3
286.04620	0.3
299.06006	0.4
301.21591	1.4
302.21896	0.7
404.22519	0.3
422.23514	0.7
423.23721	0.5
433.11343	0.9
440.24173	0.3
482.25540	0.2
483.25989	0.4
497.09799	0.2
519.10760	1.1
519.16943	0.2
519.25476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1139
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.02364	0.0
53.00313	0.0
53.03911	0.1
53.87257	0.0
55.01845	0.1
57.03420	0.0
61.02890	0.0
62.84970	0.0
67.01825	0.0
68.99780	0.4
69.03425	0.4
71.01328	0.1
71.04959	0.1
71.40752	0.0
73.02895	0.1
77.03919	0.1
81.03419	0.4
83.01315	0.0
85.02898	0.6
87.00833	0.2
91.05458	0.1
95.01299	0.2
95.04984	0.2
97.02896	0.2
99.04417	0.1
103.05460	1.5
105.01833	0.1
105.03384	1.4
105.04494	0.1
105.06983	0.0
109.02872	0.3
113.02323	0.1
113.18843	0.0
115.05393	0.1
117.01823	0.1
119.04913	0.1
123.00792	0.6
127.03897	0.6
129.01834	0.0
129.03325	0.4
129.06995	0.0
131.04927	0.1
133.53966	0.0
139.00209	0.1
141.01785	0.1
141.06944	0.4
145.04900	0.1
146.03442	0.0
147.04388	0.3
151.00261	0.2
152.06146	0.0
155.04839	0.0
157.06451	0.1
159.02895	0.2
169.01315	3.3
169.06430	0.1
170.01604	0.0
173.05974	0.4
179.04810	0.1
183.04326	0.0
185.00877	0.0
187.02301	0.1
187.03923	0.1
187.05916	0.0
197.06030	0.2
201.05508	0.3
202.06154	0.0
203.07164	0.0
209.00713	0.1
211.03970	0.0
215.07047	0.4
225.05434	0.6
229.04919	0.2
231.04967	0.1
241.04869	0.1
253.04944	0.5
254.05603	0.0
269.04303	0.1
270.05161	0.4
271.05981	100.0
272.06314	3.0
313.07123	0.1
433.11154	0.4
475.12070	0.2
501.10513	0.1
519.11334	3.2
520.11676	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	519.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01868	0.4
57.03429	0.5
59.05000	0.1
60.05640	0.2
61.02925	0.3
68.99787	0.5
69.03065	0.2
69.03428	2.7
69.58248	0.2
69.58648	0.4
70.06590	0.8
71.01344	0.1
71.04982	0.4
72.08154	0.5
73.02913	0.5
81.02964	0.2
81.03420	2.7
83.61346	0.1
85.02406	0.2
85.02907	3.1
87.00827	1.5
91.03921	0.1
91.05469	0.2
95.01289	0.5
97.02883	1.2
97.07624	0.2
98.09658	0.3
98.22732	0.1
99.04457	0.8
103.05470	1.7
105.01880	0.8
105.03387	0.7
105.07015	0.2
109.02871	2.1
109.04002	0.3
112.08733	0.3
114.10287	1.6
116.07090	0.1
117.01834	0.2
123.00784	4.4
126.01070	0.4
127.03902	2.7
129.01776	0.2
130.09798	0.1
131.04907	0.7
139.00204	0.1
141.01810	0.6
141.06979	0.3
145.04950	0.6
147.02879	0.2
147.04408	0.2
151.00247	0.1
159.02895	1.2
160.03236	0.1
169.01306	1.4
169.06502	0.1
174.12781	0.1
175.11894	0.5
178.27667	0.1
197.05981	0.2
213.03856	0.1
225.05443	1.0
229.04988	0.1
231.04932	0.3
241.04947	0.3
253.04967	2.3
270.05234	0.3
271.05984	100.0
272.06351	2.9
321.92447	0.1
327.10263	0.1
339.08853	0.1
387.71109	0.1
397.05399	0.1
433.11026	0.6
494.34821	0.1
501.10040	0.3
501.21179	0.1
519.11304	2.1
519.22290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1499
Annotation	Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03938	0.8
60.55101	0.4
68.99772	0.4
69.03425	2.1
69.78513	0.7
72.51661	0.3
81.03416	3.2
85.02906	1.0
91.05470	0.7
97.02886	1.1
99.04453	0.5
103.05464	0.6
105.07028	0.9
108.02077	0.4
109.02873	1.2
118.04172	1.6
121.02857	0.5
124.01569	0.4
127.03915	1.2
131.04930	0.9
133.06482	0.4
136.01552	1.2
139.00290	0.3
152.01051	0.9
153.01802	1.3
154.02567	0.8
154.36337	0.4
161.06023	0.4
178.68280	0.3
181.01326	0.6
182.02023	0.7
187.06017	0.8
189.65002	0.3
191.31422	0.4
193.08577	0.4
197.04347	1.5
198.01672	0.7
225.05690	0.3
225.13177	0.3
226.06075	0.5
242.05876	0.4
253.04971	1.8
254.05750	4.9
257.04318	0.5
269.04547	0.6
270.05173	0.5
271.05984	14.3
272.06317	0.4
281.04538	0.7
282.05231	5.6
283.05981	2.3
285.03906	0.7
286.04782	0.4
299.05511	11.0
300.06265	14.6
301.06549	0.7
315.08609	100.0
316.08923	4.1
354.02362	0.4
423.13007	0.4
474.08002	0.4
517.47845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
53.34155	0.4
55.01842	0.9
69.03393	1.5
71.04970	0.5
81.03387	1.9
85.02898	3.7
87.00791	1.3
91.05455	0.9
96.48254	0.5
97.02847	1.4
102.74693	0.5
103.05431	0.6
105.01850	0.7
105.07027	0.5
109.02838	0.8
109.63166	0.5
115.05439	0.6
117.11238	0.6
119.04953	2.5
121.02853	0.5
122.03609	0.7
127.03862	2.2
137.05957	6.6
145.02814	1.4
145.04935	0.7
147.04366	1.2
151.03902	0.8
153.01820	4.2
161.06000	0.7
165.05484	0.9
175.03862	0.5
177.05452	1.5
189.06950	0.6
190.07660	0.5
203.07056	0.6
219.07982	1.4
236.08449	0.6
237.00310	1.0
243.01050	0.5
246.06902	0.8
247.07649	0.6
249.09001	0.6
259.07587	0.8
261.08957	0.8
263.07062	1.0
267.10095	0.6
271.05988	100.0
272.06415	3.3
274.06119	0.6
275.07025	0.5
277.08566	1.1
279.10037	0.9
289.08551	2.4
307.09592	2.7
309.11191	1.6
311.12698	0.6
321.11215	5.1
327.12350	3.4
339.12094	2.6
343.04431	0.5
357.13626	0.9
357.18799	3.9
451.97809	0.6
459.21552	0.7
519.24097	97.6
520.24341	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	519.2354
Annotation	Gln Trp Trp
Peak:m/z	Relative Intensity
57.07075	0.2
66.20473	0.2
67.05494	0.6
67.68285	0.2
68.03256	0.2
69.07030	0.2
69.19353	1.1
76.09705	0.2
77.33580	0.2
78.48499	0.2
79.05482	0.4
81.07073	0.4
83.82983	0.2
87.33505	0.2
91.05462	0.4
93.07035	0.7
95.04977	0.5
95.08610	0.6
97.06466	0.2
98.23524	0.4
104.10730	0.3
105.03387	1.6
105.07037	1.2
107.08611	0.4
109.10194	0.2
111.04417	0.3
119.03664	0.2
119.08597	0.5
121.10184	0.2
133.10132	0.4
145.10103	0.6
149.09628	0.2
157.10115	0.4
159.11699	0.7
161.13226	0.3
170.10896	0.3
171.11687	0.6
184.12541	0.3
185.13254	0.4
195.94467	0.2
199.14926	0.4
237.16481	0.2
271.06146	0.4
312.53351	0.2
337.17798	0.3
355.18958	0.6
397.19702	1.5
459.21359	0.6
518.39807	0.3
519.23517	100.0
520.23828	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	519.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.4
56.97295	0.3
61.02858	0.3
62.91325	0.3
68.99755	0.7
69.03414	2.2
69.09071	1.3
69.09504	1.3
81.03398	1.9
85.02891	4.0
87.00806	1.8
87.04424	0.8
97.02888	2.5
99.04404	1.0
105.01857	2.3
109.02852	1.6
115.03871	0.9
119.04921	1.9
121.02843	0.9
127.03886	2.8
133.04955	0.5
145.02798	0.3
145.04904	1.4
146.53542	0.4
150.07635	0.4
153.01813	3.1
159.02814	0.9
171.02817	0.4
196.20207	0.3
203.05222	0.7
231.04961	1.2
237.00302	0.4
245.14178	0.4
247.06067	0.3
259.07825	0.4
271.05966	83.4
272.06311	3.4
283.15146	0.5
345.08139	0.5
357.18707	2.4
381.05801	0.4
459.22031	0.5
487.21347	1.1
519.24072	100.0
520.24365	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	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01839	0.8
55.68749	0.4
61.02898	0.4
68.99773	0.5
69.03426	2.2
69.75444	0.9
69.75812	0.9
73.02892	0.5
79.05443	0.5
81.03373	1.7
85.02896	3.2
87.00802	0.9
91.05454	1.5
97.02843	1.8
99.04428	0.4
105.07016	0.6
109.02814	1.5
119.04893	1.7
119.26382	0.4
120.03973	0.4
121.02840	0.6
122.03578	0.7
123.00813	0.6
127.03888	2.0
132.18375	0.4
133.06429	0.5
137.05966	6.3
145.02788	1.8
145.04932	0.5
147.04330	1.4
149.05812	0.5
151.03889	0.7
153.01810	4.1
159.02832	0.9
161.05908	1.1
165.05553	0.6
168.48546	0.4
171.02705	0.5
175.07458	1.2
177.05444	2.4
187.07556	0.7
189.06882	0.7
203.07005	1.0
215.06905	0.4
218.07214	0.6
219.08066	1.0
225.05579	0.4
237.00226	1.0
246.06784	0.9
247.07494	1.7
249.09039	1.3
256.34274	0.4
259.07907	0.5
261.09140	1.0
264.07837	0.7
271.05984	95.5
272.06299	3.6
274.06223	0.8
275.07065	0.9
277.08496	1.2
278.09277	0.4
279.10211	0.6
289.08582	2.1
306.08728	0.6
307.09668	3.2
309.11304	1.0
311.33780	0.4
321.11197	4.4
327.12256	3.0
339.12198	1.9
357.13315	1.3
357.18732	2.6
381.06027	0.8
459.21799	1.0
473.30438	0.5
487.21341	0.9
491.31522	0.7
519.24091	100.0
520.24683	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	519.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.5
61.01151	13.4
65.82373	4.8
67.05503	15.6
69.03413	6.5
69.07068	9.1
70.06573	29.7
71.40887	5.4
72.08160	6.9
79.05482	17.0
79.05902	5.3
80.05034	18.3
81.03414	7.4
81.07052	23.8
84.04523	8.6
84.05618	9.6
84.08135	16.1
85.02397	4.5
85.02898	16.5
86.09701	15.9
87.04469	7.7
91.05427	13.7
93.07035	20.7
95.04988	7.3
95.08604	22.8
97.02860	5.7
98.06065	7.0
101.00592	8.7
105.07047	22.8
107.08613	23.1
108.04523	14.6
109.10136	12.9
119.04943	12.1
119.08569	18.2
120.08109	9.5
121.02879	20.4
121.10163	11.4
123.11694	13.1
126.01038	11.3
128.05302	20.1
130.04924	6.7
131.08578	10.3
133.10156	15.1
135.11676	9.7
136.03955	7.5
136.06236	5.1
137.05986	20.4
137.09686	5.7
140.22270	5.5
143.08533	8.4
144.06512	6.8
145.10117	22.3
147.04404	12.3
147.11676	20.2
155.08614	6.3
156.04767	100.0
157.10149	12.1
159.11685	12.9
169.10037	5.1
171.11702	6.7
173.13260	12.7
175.03999	11.1
176.03772	10.9
183.11720	7.4
184.04268	11.0
185.13243	13.2
187.10902	7.5
187.14836	12.2
191.14490	7.1
197.13171	10.3
199.14763	6.6
207.04443	6.6
207.06497	12.6
209.03984	7.0
209.05840	12.5
210.06239	5.4
211.14816	9.1
215.17882	7.0
225.05391	8.0
225.16412	5.7
233.09497	6.6
254.04301	6.1
255.21074	7.2
257.22745	10.5
265.84708	5.0
267.21219	18.3
283.34241	5.5
285.22162	41.7
299.06241	8.5
303.23108	41.7
321.24084	6.2
327.10107	9.9
344.97775	6.4
416.12756	6.0
475.20987	6.0
519.18481	38.1
519.26550	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	520.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01862	1.3
57.03424	2.0
57.04555	1.8
61.02914	1.7
69.03416	9.1
69.25620	1.6
69.26031	3.4
70.06580	2.0
71.04983	1.3
72.08146	1.1
73.02905	1.3
81.03414	11.8
84.05624	60.1
85.02909	9.3
86.09698	1.0
87.00816	4.9
87.04450	1.7
89.06004	1.7
90.03436	3.6
97.02905	4.5
99.00020	1.0
99.04443	2.3
100.05082	1.9
100.11252	1.7
105.01892	1.8
105.91168	0.8
107.06045	1.9
108.72794	0.8
109.02874	7.3
109.37297	0.9
114.01063	1.7
117.01846	1.4
120.05599	1.0
126.01059	83.3
127.01900	5.8
127.02987	1.4
127.03890	10.5
128.01360	1.0
129.35307	0.8
132.05559	1.0
133.08591	1.2
141.02130	16.1
142.02925	2.4
144.02075	1.5
145.04970	1.3
145.06361	2.1
146.07109	8.4
147.06664	2.2
153.02156	2.1
159.02843	2.3
161.08211	3.8
162.09004	3.2
165.02118	1.2
166.01591	1.9
166.02916	0.9
167.02512	1.1
167.03746	1.4
168.03197	7.2
171.06606	5.8
172.07384	2.9
173.08220	12.7
174.06647	4.1
174.08949	1.4
175.09782	1.2
180.03209	4.4
181.04047	4.1
187.06064	1.0
189.07710	17.8
190.08470	11.4
191.09271	22.1
192.03215	1.6
195.04337	12.4
196.04329	0.8
205.02747	3.8
206.03490	2.3
207.04309	96.6
208.02992	1.7
208.05075	24.0
209.05879	100.0
210.04271	15.5
210.06598	16.2
224.04581	2.1
225.05360	70.9
226.06012	3.8
227.06918	22.2
233.10255	1.1
236.03311	10.0
240.04079	2.8
242.05595	4.7
254.04382	73.6
255.04521	1.3
272.05417	2.8
299.05811	0.9
387.10547	3.7
394.14819	1.0
395.55637	0.8
429.11646	5.9
434.10516	4.6
438.13779	8.6
439.14566	13.7
473.10660	26.3
474.10968	2.9
520.10596	5.3
527.38049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
57.03429	18.7
60.42238	2.4
65.43800	2.4
69.03429	81.1
69.03800	4.8
69.07391	14.7
69.07803	3.5
70.06583	3.9
71.05005	7.9
81.03412	20.9
85.02899	73.4
87.00828	23.2
87.04469	28.1
97.02258	5.5
97.02889	100.0
97.71773	2.4
98.23432	5.3
99.04448	17.3
105.01862	20.8
105.07022	3.4
109.02887	5.6
111.62700	2.7
112.96071	2.5
115.03925	53.1
127.03908	75.0
133.04955	32.4
145.04951	66.3
150.07619	10.6
172.17949	2.5
192.17712	2.9
231.04990	57.9
248.69991	2.8
249.06071	49.5
363.08978	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	520.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28355	1.1
53.03941	3.6
54.51536	1.1
55.01860	5.2
55.05504	2.1
55.36447	1.3
57.03432	16.7
59.04975	2.9
60.04522	3.5
61.02916	5.5
68.99780	3.1
69.03424	80.1
71.04969	2.9
73.02905	5.8
81.03407	24.5
83.01350	1.7
83.04988	5.7
85.02897	100.0
87.00821	40.1
87.04466	21.1
97.02887	69.2
98.22722	3.5
99.04436	13.8
103.03944	1.8
105.01858	69.5
105.07038	9.3
107.04966	1.3
109.02870	27.0
111.04440	5.4
115.03924	33.6
117.01826	2.7
123.04420	1.5
125.02345	1.9
127.03907	69.9
129.01837	2.7
129.05466	3.8
129.06952	1.4
133.04968	18.8
133.83572	1.1
139.03920	4.3
145.04942	33.0
145.06081	2.0
147.02882	1.8
149.05885	1.5
150.07608	20.0
151.03920	1.8
159.02870	10.2
165.05482	1.2
171.02951	1.2
177.05469	3.9
179.54857	1.1
183.02835	1.8
189.03926	4.6
205.04962	2.4
213.03987	4.4
213.09142	4.9
215.05464	2.1
223.05949	4.2
230.15741	1.2
231.04962	32.0
231.10150	1.8
241.06911	7.7
249.06035	12.5
271.06009	6.8
272.06332	13.4
273.06082	3.1
273.70038	1.3
301.09006	2.9
309.05963	2.4
327.07117	9.9
335.11215	3.3
340.47284	1.3
345.08121	13.5
363.09082	1.7
520.24402	39.5
521.24750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01880	3.4
57.03426	3.3
61.02922	1.8
68.99789	2.2
69.03425	12.6
70.06572	2.6
71.04980	1.4
71.40652	1.9
73.02912	1.8
75.04487	1.9
76.83538	1.2
81.03415	11.7
85.02902	27.0
87.00830	9.7
91.05465	2.4
97.02879	9.8
99.04437	5.5
102.04720	1.4
102.98548	1.5
103.05470	33.0
104.67840	1.3
105.01875	7.3
105.07016	1.8
109.02882	11.0
117.01877	2.3
119.04943	2.7
123.04406	2.1
127.03911	19.2
130.04158	2.1
131.04926	100.0
133.06470	2.4
137.05959	4.2
145.04971	6.4
147.04449	2.8
148.05188	23.6
151.03925	1.7
159.02847	5.8
161.05966	7.0
162.06898	1.6
163.07541	69.8
166.06183	3.1
167.05563	1.7
175.07552	3.4
177.05498	1.9
181.08636	3.6
187.07471	2.0
198.91495	1.4
205.08466	2.3
212.47580	1.3
219.10136	3.0
224.00136	4.1
227.23579	1.4
231.05019	4.4
237.11201	37.4
255.12337	5.1
344.05872	2.9
385.30170	1.6
439.96558	1.5
453.87558	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13092	0.6
50.43043	0.6
62.50971	0.6
64.31377	0.6
71.23016	0.6
82.06564	1.2
87.52179	0.6
106.85735	0.7
110.06046	4.2
110.76366	0.6
132.04248	0.7
142.61583	0.6
180.73708	0.5
349.18066	100.0
350.18454	3.7
458.23352	45.8
459.23715	2.2
502.22311	33.5
503.22742	1.8
520.23450	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18829	2.7
70.06577	0.6
73.06557	1.8
87.04462	9.5
87.04949	0.8
89.06026	100.0
89.19766	0.4
90.06382	0.8
91.07603	0.9
96.34361	0.4
97.52546	0.5
107.07063	1.7
112.80812	0.4
117.09143	1.2
118.26443	0.4
127.79480	0.5
129.12233	0.5
131.07016	3.0
133.08594	62.8
134.08932	0.7
135.10139	0.7
135.52362	0.4
145.17528	0.4
175.09639	1.5
177.11209	21.0
219.12186	0.8
221.13844	3.8
228.56317	0.4
239.14886	0.8
265.16428	0.9
283.17413	1.8
309.18964	0.7
327.20126	0.6
353.21661	0.9
371.22723	0.6
415.25266	0.9
459.28091	1.0
503.30637	7.0
520.33148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98339	0.4
52.82781	0.4
53.58624	0.5
57.03431	0.8
59.05003	4.4
61.25876	0.4
66.51284	0.4
67.05501	1.2
69.03430	5.5
69.29021	2.3
71.05011	1.0
73.02922	5.3
73.06551	3.1
74.40122	0.4
79.05486	0.5
81.03413	1.0
81.07014	0.5
83.04970	0.6
85.02894	2.9
86.09705	1.5
87.00834	1.3
87.04463	100.0
88.04803	5.6
89.04895	1.6
89.06027	27.4
90.06346	1.2
91.01951	0.4
91.06450	0.7
95.04962	3.7
97.02885	2.0
98.97573	0.7
99.04486	0.8
101.06031	0.6
103.03911	0.5
105.01852	0.8
105.07024	5.5
107.07090	0.6
107.08636	0.5
109.02890	0.6
113.05197	0.8
113.05996	15.3
115.03934	0.9
117.05506	0.7
117.09113	2.2
119.08572	0.5
120.08059	0.7
124.03960	3.4
127.03918	1.7
131.04927	0.4
131.07030	9.5
133.08601	13.3
134.08908	0.9
135.09128	0.5
139.07507	0.7
145.04955	0.7
157.08601	3.8
161.11618	0.5
175.09654	5.6
177.11205	4.5
195.08269	0.5
201.11205	1.4
219.12271	2.6
221.13948	0.6
237.00131	0.5
244.22519	0.4
245.13872	1.4
263.14941	1.1
271.06009	1.9
272.06424	2.3
296.92688	0.4
302.09760	0.5
319.10538	0.4
343.45624	0.5
434.13885	0.9
439.25345	1.7
452.14557	0.5
456.28256	1.1
503.29846	0.7
520.15234	1.2
520.24176	2.5
520.32593	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	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93679	0.1
55.05492	0.2
56.05039	0.7
57.03432	0.2
58.06321	0.2
58.06622	0.5
60.08157	6.7
67.05492	0.6
69.07057	0.2
69.37701	0.5
70.06574	0.1
71.07365	3.4
79.05463	0.2
81.07036	0.6
83.08638	0.1
86.09695	32.3
87.10043	0.2
91.05478	0.2
93.07008	0.1
95.08593	0.4
98.98456	3.4
104.10728	3.1
109.10127	0.1
124.99990	23.1
143.01030	0.2
184.07320	100.0
185.07669	0.8
212.01221	0.1
300.98087	0.1
337.27255	0.2
392.08176	0.1
502.32782	0.9
520.33850	1.9
521.33868	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	520.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.5
56.05022	1.6
58.06599	1.6
60.08160	19.7
67.05500	3.8
69.05679	0.3
69.07056	1.6
69.65688	0.4
69.66163	0.5
69.66531	1.3
70.06593	0.4
71.06977	0.4
71.07365	7.3
73.07120	0.4
75.70316	0.4
79.05479	0.7
81.07041	3.1
81.24368	0.3
83.08585	0.7
86.09698	52.8
87.10040	0.6
91.05468	0.6
93.07014	0.8
95.08611	1.7
98.98460	5.1
101.02812	0.4
104.10733	95.0
105.07035	0.5
105.11061	0.8
107.08496	0.4
109.10111	0.7
124.99992	30.0
133.10172	0.3
163.01564	0.6
184.07324	100.0
185.07724	0.8
218.87537	0.4
258.11011	1.0
297.27100	0.4
322.46100	0.4
337.27243	0.7
502.32840	5.8
520.33948	19.0
520.41840	1.0
521.34521	0.6
533.34241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39108	1.5
50.90607	1.6
53.03945	5.7
55.01872	7.2
57.03436	7.2
61.02929	4.0
68.99805	4.9
69.03431	16.1
69.10153	12.8
70.06582	7.9
71.04976	2.0
73.02915	4.4
81.03405	22.4
85.02897	50.0
86.09692	4.2
87.00821	14.7
87.04460	3.1
89.06022	1.8
89.27995	1.8
89.59492	1.9
91.05483	4.8
93.19476	1.7
95.04961	2.8
97.02892	16.1
99.04440	8.4
103.03938	1.8
105.01879	9.9
107.04928	2.6
109.02886	15.5
117.01879	2.4
119.04932	12.1
120.08078	3.7
121.02819	2.1
121.06477	1.7
123.04436	4.5
127.03909	24.8
129.01834	4.2
136.04008	2.2
137.05978	2.3
145.02879	2.4
145.04929	10.1
147.04407	37.1
151.03947	3.1
153.01816	56.5
159.02899	10.0
163.03925	2.8
165.01848	9.9
171.02879	4.1
177.01807	10.1
177.05534	2.9
183.02910	3.4
187.03879	3.2
191.03372	9.2
195.02876	45.7
213.03766	1.7
215.03355	4.2
217.01358	2.1
219.02864	14.6
236.80032	1.9
237.04001	2.6
243.02808	2.4
261.03983	18.8
273.07562	100.0
273.16727	1.9
274.07767	3.6
279.05145	2.7
297.07516	11.7
315.08578	9.2
339.08670	10.7
363.08502	5.0
365.04904	2.7
381.09641	13.5
383.06262	2.6
393.28314	5.3
431.18933	19.2
467.09698	2.2
477.23041	4.6
521.20599	8.8
521.33026	38.9
522.32965	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	521.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43684	0.3
53.03946	6.2
55.01873	7.5
57.03437	5.1
59.21521	0.4
60.66182	0.3
61.02929	4.9
68.99787	6.0
69.03429	31.4
69.31519	1.7
71.01349	1.0
71.04996	4.4
73.02920	6.3
79.05466	0.6
81.03415	31.9
83.01370	0.7
85.02904	56.2
86.03258	0.6
87.00829	22.4
87.04485	0.4
87.39394	0.4
91.03966	1.8
91.05475	1.8
95.01311	0.7
97.02888	18.7
99.04456	11.8
101.02397	0.6
103.03947	1.1
103.05462	6.2
105.01866	14.2
105.07021	0.7
107.05000	0.9
109.02877	27.0
110.03230	0.5
113.02359	0.6
115.03936	1.0
117.01852	4.5
123.00802	1.3
126.95000	0.3
127.03912	45.9
128.04214	0.5
129.01836	4.6
131.04922	16.7
131.05905	0.8
141.01828	0.9
145.04958	14.8
147.02879	2.6
149.38138	0.4
151.00311	0.6
159.02882	19.0
166.99814	0.4
167.03458	0.9
169.01317	51.8
169.18802	0.3
170.01729	0.4
171.02917	0.5
173.05952	2.1
177.03889	0.8
180.12392	0.4
181.01300	0.6
181.06396	0.4
185.00792	1.6
187.02394	2.2
189.04050	0.5
195.02902	0.8
206.07216	0.4
211.02391	1.8
213.03964	1.4
231.04951	6.8
231.06940	0.4
271.06119	0.5
273.07562	100.0
274.07852	2.8
315.08667	1.1
339.08734	0.5
521.19647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01869	3.1
57.03439	2.0
58.62671	0.4
61.02908	1.2
68.99776	1.6
69.03425	8.6
71.04981	1.0
73.02923	2.8
79.05503	0.6
81.02975	0.6
81.03416	8.8
83.01340	0.7
85.02903	19.4
87.00828	8.2
91.03955	0.4
91.05470	1.6
95.01300	1.1
97.02333	0.7
97.02895	7.5
99.04459	4.8
103.05464	6.4
105.01868	5.7
105.03342	0.6
107.04990	0.9
109.02871	9.8
113.02342	0.7
117.01822	1.4
118.45129	0.4
123.00777	1.3
127.03915	16.3
129.01866	0.9
131.04918	19.4
132.05302	0.5
145.04964	6.4
147.02875	1.1
148.78270	0.4
153.01923	0.5
157.06406	0.4
158.56088	0.4
159.02890	7.7
167.03392	1.0
169.01318	60.7
170.01666	1.4
173.05981	2.2
181.01300	0.6
185.06064	0.5
187.02365	1.4
193.01299	0.5
195.02966	0.8
211.02393	2.7
213.03929	0.6
231.04768	2.0
235.02350	1.1
273.07559	100.0
274.07849	2.8
277.03473	0.8
283.87601	0.4
297.07480	0.8
315.08582	1.4
339.08719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.6
55.01871	6.7
55.98290	0.8
57.03432	4.7
61.02930	4.5
68.99791	5.8
69.03429	25.3
71.01347	1.5
71.04987	2.4
71.20274	1.5
73.02912	5.5
81.02963	1.8
81.03420	29.1
85.02904	55.1
87.00824	22.9
91.03947	2.4
91.05476	2.3
95.01315	1.2
96.36763	0.8
97.02895	15.4
99.04459	10.2
103.05459	6.1
105.01868	10.7
105.07027	0.9
106.32154	0.8
107.04951	1.3
109.02879	25.4
115.03935	1.2
117.01859	3.4
123.00777	1.9
127.03913	36.0
129.01843	3.7
131.04941	19.0
145.04950	12.2
147.02867	2.8
159.02879	16.9
167.03398	1.3
169.01323	63.7
170.01700	1.0
173.05963	2.6
185.00832	1.2
187.02394	1.5
202.15688	0.9
211.02324	2.4
213.04005	1.3
231.04962	4.5
273.07565	100.0
274.07886	2.8
277.03406	1.2
312.13885	0.9
322.63412	0.9
386.49918	1.0
431.07071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
68.50491	0.9
68.99790	9.2
69.03423	6.5
71.01340	1.4
73.02892	1.1
81.03410	3.1
85.02916	7.6
87.00844	3.1
90.47108	1.2
91.05491	1.8
95.01320	1.5
95.04939	1.7
97.02874	8.9
99.04432	1.3
103.05463	33.3
105.01872	2.2
105.07030	4.8
109.02827	2.7
113.02375	1.6
114.08324	0.9
122.65425	1.2
127.03941	4.8
129.06955	1.3
131.04919	100.0
139.00240	1.7
145.04968	5.1
153.06940	1.2
157.01373	1.9
157.06372	1.3
163.00285	3.8
166.99733	2.9
169.01331	15.0
173.06023	5.0
177.85669	1.1
181.01375	1.4
183.02962	2.4
185.00795	12.2
185.06021	1.3
190.99777	3.5
199.07503	5.3
209.00844	5.4
227.01920	3.0
227.06961	1.3
233.05382	1.7
248.78143	1.2
253.04999	1.4
265.12228	1.2
271.05988	19.9
272.06470	1.7
273.07550	32.3
273.10281	2.2
275.47406	1.3
279.10403	1.6
283.09793	1.2
285.07907	1.2
291.02676	2.2
293.11615	1.9
295.05984	5.5
311.12756	16.6
313.06924	9.2
331.08234	5.4
340.59903	1.3
354.52499	1.0
359.15024	2.8
399.12280	11.7
417.13351	1.5
521.09949	6.9
521.20398	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14217	1.8
56.96567	2.2
64.17439	2.0
67.05498	1.9
71.42184	1.9
75.60809	1.7
79.05454	2.1
81.03410	2.3
91.05463	4.1
93.07046	2.4
95.08636	2.2
105.07001	3.0
122.03571	1.9
124.93533	1.9
137.05968	13.6
151.07524	2.3
159.31824	2.1
175.07558	2.1
223.06386	2.6
233.44019	2.0
241.07550	3.5
288.73151	2.0
318.74359	1.8
341.13913	4.9
347.11780	4.0
389.12784	3.2
405.17401	2.4
443.12885	62.9
443.19049	3.4
444.13828	3.6
461.12994	2.3
479.51215	2.3
503.15247	5.4
521.15967	100.0
521.27466	3.9
522.16315	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	521.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08144	1.1
59.24168	1.1
61.13705	1.2
67.09275	1.1
69.17802	7.2
70.06593	1.5
72.08147	2.0
77.03917	1.3
81.03419	2.0
84.04506	1.6
84.08112	2.3
85.02901	1.7
86.09716	1.9
91.05471	9.3
95.04967	3.8
97.02873	1.3
98.22694	1.9
103.05465	62.3
105.07003	6.2
107.04918	3.4
119.04933	13.8
129.85426	1.1
131.04924	100.0
132.05278	1.3
133.06497	4.4
137.05951	5.5
147.04417	12.3
161.05977	11.4
163.07538	28.1
175.03903	22.3
187.07631	1.5
207.06508	42.0
285.03955	1.5
298.87695	1.1
317.06961	1.7
327.71817	1.1
369.11615	2.3
521.20282	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	521.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	13.1
81.03396	1.2
81.07051	0.8
84.96033	5.5
85.02869	1.6
97.02878	1.0
97.96822	2.8
98.97581	48.7
100.44115	0.8
110.97571	14.7
112.99165	1.9
113.41716	0.8
116.98618	19.9
116.99416	1.6
119.04967	1.4
124.99101	1.1
127.03924	1.2
128.98610	14.0
131.00140	2.7
131.69223	0.8
134.99634	3.6
137.05971	3.8
140.98599	3.6
143.00169	5.7
144.98103	2.3
146.99667	6.3
147.04407	2.9
149.01152	1.0
152.98630	4.6
153.01814	4.9
155.00111	1.0
158.99657	12.5
161.01242	4.1
162.99149	2.2
170.99667	8.3
173.01306	0.9
177.00716	11.3
189.00763	5.0
195.01768	0.9
201.00754	2.0
203.09557	1.4
207.01788	0.9
219.01747	13.6
219.31602	0.7
227.09544	1.3
231.01866	1.5
237.02803	22.2
245.10649	2.5
249.02852	5.2
255.03899	1.5
269.10745	0.8
273.07590	8.1
281.10660	2.5
286.93982	0.8
299.11621	1.2
302.04172	1.9
317.06650	2.5
329.12640	6.5
330.07321	2.4
341.12827	3.5
345.09714	5.3
347.13748	26.7
348.14194	0.8
357.07001	0.8
385.49026	0.8
394.99530	0.9
401.14832	1.1
461.16928	100.0
462.17163	3.8
501.17349	0.9
521.19958	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	521.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	13.1
81.03396	1.2
81.07051	0.8
84.96033	5.5
85.02869	1.6
97.02878	1.0
97.96822	2.8
98.97581	48.7
100.44115	0.8
110.97571	14.7
112.99165	1.9
113.41716	0.8
116.98618	19.9
116.99416	1.6
119.04967	1.4
124.99101	1.1
127.03924	1.2
128.98610	14.0
131.00140	2.7
131.69223	0.8
134.99634	3.6
137.05971	3.8
140.98599	3.6
143.00169	5.7
144.98103	2.3
146.99667	6.3
147.04407	2.9
149.01152	1.0
152.98630	4.6
153.01814	4.9
155.00111	1.0
158.99657	12.5
161.01242	4.1
162.99149	2.2
170.99667	8.3
173.01306	0.9
177.00716	11.3
189.00763	5.0
195.01768	0.9
201.00754	2.0
203.09557	1.4
207.01788	0.9
219.01747	13.6
219.31602	0.7
227.09544	1.3
231.01866	1.5
237.02803	22.2
245.10649	2.5
249.02852	5.2
255.03899	1.5
269.10745	0.8
273.07590	8.1
281.10660	2.5
286.93982	0.8
299.11621	1.2
302.04172	1.9
317.06650	2.5
329.12640	6.5
330.07321	2.4
341.12827	3.5
345.09714	5.3
347.13748	26.7
348.14194	0.8
357.07001	0.8
385.49026	0.8
394.99530	0.9
401.14832	1.1
461.16928	100.0
462.17163	3.8
501.17349	0.9
521.19958	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	522.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.5
68.99795	1.2
69.41742	1.0
70.06562	0.5
79.57211	0.3
79.99570	0.3
89.57146	0.3
91.05450	0.7
92.01382	1.5
92.99742	0.4
98.23431	0.6
103.05441	0.3
104.01296	0.9
118.02892	0.4
131.04893	0.8
132.00781	0.5
135.11684	0.5
146.02365	1.7
158.02341	0.5
160.00288	0.6
163.20335	0.3
172.00278	3.9
174.01857	1.1
178.01340	0.8
186.01855	1.8
190.01314	1.9
192.02933	0.4
198.01907	0.4
199.99774	3.3
202.01360	2.7
204.02892	1.9
214.01326	5.2
218.00826	13.9
219.00992	0.3
220.02382	0.4
226.01329	1.0
227.99265	2.7
232.02397	17.0
233.02577	0.3
242.00803	10.8
254.00824	0.9
255.98715	2.9
260.01910	7.2
265.12207	0.4
270.00314	5.2
272.01953	0.6
273.99792	19.5
275.00195	0.7
288.01343	5.8
292.00851	44.0
293.01233	0.6
297.99780	21.7
299.00201	0.6
306.02505	0.7
310.24588	0.4
316.00851	60.8
317.01028	1.6
328.31070	0.3
334.01895	74.8
335.02438	1.6
360.04800	0.5
376.04575	0.9
402.06085	3.9
406.23730	0.5
418.05475	3.9
420.07098	100.0
420.51675	0.4
421.07416	3.7
436.06647	6.4
522.11761	29.9
523.12201	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.5
68.99795	1.2
69.41742	1.0
70.06562	0.5
79.57211	0.3
79.99570	0.3
89.57146	0.3
91.05450	0.7
92.01382	1.5
92.99742	0.4
98.23431	0.6
103.05441	0.3
104.01296	0.9
118.02892	0.4
131.04893	0.8
132.00781	0.5
135.11684	0.5
146.02365	1.7
158.02341	0.5
160.00288	0.6
163.20335	0.3
172.00278	3.9
174.01857	1.1
178.01340	0.8
186.01855	1.8
190.01314	1.9
192.02933	0.4
198.01907	0.4
199.99774	3.3
202.01360	2.7
204.02892	1.9
214.01326	5.2
218.00826	13.9
219.00992	0.3
220.02382	0.4
226.01329	1.0
227.99265	2.7
232.02397	17.0
233.02577	0.3
242.00803	10.8
254.00824	0.9
255.98715	2.9
260.01910	7.2
265.12207	0.4
270.00314	5.2
272.01953	0.6
273.99792	19.5
275.00195	0.7
288.01343	5.8
292.00851	44.0
293.01233	0.6
297.99780	21.7
299.00201	0.6
306.02505	0.7
310.24588	0.4
316.00851	60.8
317.01028	1.6
328.31070	0.3
334.01895	74.8
335.02438	1.6
360.04800	0.5
376.04575	0.9
402.06085	3.9
406.23730	0.5
418.05475	3.9
420.07098	100.0
420.51675	0.4
421.07416	3.7
436.06647	6.4
522.11761	29.9
523.12201	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24446	0.4
52.92513	0.6
54.11928	0.5
55.05509	2.1
56.05028	1.4
57.01626	0.5
57.03413	0.7
58.06582	1.2
60.08158	15.9
60.08461	0.8
61.08474	1.7
67.05518	3.1
68.99788	0.6
69.07069	1.1
69.93832	1.1
69.94241	1.1
71.07370	8.2
72.07693	1.6
74.07018	0.5
79.05482	0.9
81.07057	3.1
82.07365	0.5
86.09698	49.0
87.09447	1.2
87.10024	12.3
88.07623	1.1
91.05471	1.5
92.01369	0.6
92.99770	0.8
93.07027	0.5
95.04958	0.8
95.08599	1.7
98.98457	5.3
103.05461	4.4
104.10733	71.0
105.03419	1.4
105.07073	0.8
105.10424	0.9
105.11056	15.9
106.11336	0.8
107.08617	0.7
122.02408	0.7
122.41402	0.6
124.93742	0.8
124.99992	32.7
126.00343	3.9
127.00414	0.9
131.04919	12.9
137.09605	0.7
146.02405	0.8
149.02357	1.8
149.05997	1.6
151.92433	0.5
174.01866	1.2
177.12172	0.5
178.01349	1.6
184.07323	100.0
185.07674	27.5
186.01831	0.6
186.07736	3.9
190.01369	1.6
191.07008	0.7
192.02902	0.7
193.04950	1.8
197.63489	0.6
198.97443	1.1
202.01279	3.5
214.01459	2.9
218.00839	8.7
222.00351	1.3
226.01381	0.8
227.99271	3.7
230.00818	1.5
232.02460	1.8
237.07526	1.5
241.04890	2.0
242.00838	2.5
246.00365	6.6
255.98761	3.3
260.01807	1.2
270.00272	3.3
273.99771	3.3
285.99786	2.0
288.01419	1.5
292.00833	3.8
297.99783	80.2
299.00031	1.9
304.00827	0.9
312.32510	1.2
313.99258	1.9
316.00836	25.8
317.01028	0.9
332.00327	7.5
334.01868	5.5
337.27304	2.1
350.01804	0.7
350.06656	1.5
372.05389	0.8
391.06540	0.9
400.04507	2.9
402.06027	30.4
406.23676	0.6
418.05560	8.0
420.07123	10.0
436.06555	16.4
503.33212	4.8
504.10699	4.1
504.33264	1.6
521.34241	16.0
522.11725	14.1
522.25903	1.1
522.35883	3.6
523.12067	1.2
528.37128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28744	0.8
53.00293	1.2
56.99647	0.9
63.82280	0.9
65.00287	1.0
68.99802	2.2
70.06611	1.4
76.47871	1.0
92.01353	1.4
103.05480	1.9
104.01358	1.1
131.04942	4.9
132.05237	0.9
146.02341	1.2
152.10876	0.9
171.04436	1.0
171.97937	1.0
172.00308	4.0
174.01942	1.4
190.01314	2.3
199.99789	2.9
202.01405	2.9
204.02879	1.8
214.01411	6.2
218.00862	14.9
226.01315	1.8
227.99286	3.2
232.02402	17.9
242.00829	11.7
255.98651	4.8
260.01898	7.7
265.12192	1.0
270.00305	5.8
273.99811	21.8
288.01434	8.1
292.00848	43.6
293.01086	1.4
297.99780	25.9
298.03049	1.6
316.00858	79.3
317.01160	2.6
334.01910	100.0
335.02179	1.7
402.06027	33.0
403.06595	1.4
406.23767	2.6
417.04440	1.1
418.05170	3.0
420.07089	35.3
421.07358	1.9
436.06598	59.3
437.06827	1.8
496.65930	1.0
504.10760	1.1
522.11737	52.8
523.11664	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	522.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87280	0.9
68.64082	1.0
68.99804	2.0
69.51705	1.2
69.52059	3.7
86.21024	1.0
92.01357	1.6
96.03463	1.0
103.05431	0.8
104.01381	1.3
113.79943	0.9
131.04944	1.2
134.20222	0.9
146.02368	2.2
172.00322	4.2
174.01968	1.2
178.01306	1.2
186.01900	2.7
190.01421	2.4
199.99831	6.3
202.01410	4.3
203.51566	1.0
214.01331	8.7
218.00797	13.4
226.01347	2.0
227.99280	4.5
232.02379	16.3
234.48262	1.1
242.00862	13.3
254.00829	1.2
255.98769	5.2
259.99429	1.3
260.01901	8.3
270.00339	6.6
273.99783	30.5
288.01373	6.7
291.97485	1.9
292.00848	41.5
297.99786	50.1
299.00360	1.5
305.58768	1.1
316.00845	100.0
317.01245	3.6
334.01895	77.6
335.02292	1.8
360.05151	1.1
402.06073	42.5
403.06384	1.6
418.05582	2.7
420.07080	25.0
436.06631	54.8
437.06921	1.5
522.11835	49.8
523.12128	2.9
542.37006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73932	0.3
52.69022	0.4
53.00298	0.6
54.05644	0.3
68.99782	0.5
70.08975	0.7
70.09300	0.6
90.11663	0.4
91.05465	0.6
92.01356	0.6
98.22692	0.6
103.05414	0.5
104.01299	0.5
107.04905	0.5
112.07074	0.5
112.85693	0.4
117.43204	0.4
128.40440	0.4
131.04895	0.8
132.19739	0.4
146.02379	1.0
172.00269	1.0
174.01802	1.1
178.01347	0.8
178.52650	0.4
186.01859	1.0
190.01408	0.5
192.02869	0.7
199.99754	2.0
202.01332	4.7
204.02888	0.5
214.01329	4.7
218.00758	3.0
224.91847	0.5
226.01317	1.6
226.94850	0.5
227.99219	4.3
230.00821	0.7
232.02397	4.7
242.00838	4.5
254.00783	1.3
255.98726	4.5
260.01901	2.2
266.02890	0.5
270.00320	4.5
273.99811	7.7
288.01410	2.5
292.00839	10.4
297.99792	100.0
299.00034	2.2
316.00845	38.8
317.01266	0.9
334.01898	15.7
335.02258	0.6
360.04956	0.8
402.06052	40.4
403.06433	1.2
418.05420	6.3
420.07104	14.4
421.07367	0.8
436.06647	9.5
504.10583	0.5
522.11761	22.4
523.11981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
68.99796	1.5
70.40264	2.0
72.01276	0.8
75.61733	0.7
79.05483	6.7
80.76307	0.8
89.30775	0.8
90.04659	0.9
91.05475	2.4
92.43379	0.8
95.04959	3.2
95.45392	0.7
95.88896	0.8
99.65273	0.8
103.05462	15.7
105.03386	1.8
105.07018	68.5
107.04971	0.8
115.05455	14.0
118.04128	5.2
121.02837	2.3
127.96354	0.8
131.04915	20.3
132.05704	2.3
133.06476	58.4
134.06876	1.7
134.88503	0.9
137.02316	3.6
138.01874	2.1
143.04944	1.7
143.06042	5.4
147.04417	1.0
148.03905	2.5
149.02321	1.7
150.01363	1.0
150.05536	0.8
158.07117	0.8
161.05962	100.0
162.06343	1.1
163.02095	1.0
164.03357	1.4
165.03909	1.4
166.01358	2.6
167.02139	2.4
167.07001	1.4
168.03009	1.2
171.04378	1.0
173.04196	0.8
176.03391	3.3
178.01302	4.2
178.04906	1.3
185.03185	1.8
187.02188	1.2
191.05214	1.2
192.02870	7.6
192.07797	1.1
193.03270	4.1
193.08582	58.7
194.04494	2.5
194.08989	1.2
196.02388	1.0
199.03963	0.8
200.03427	1.1
202.01341	1.3
202.05008	1.5
204.02876	7.4
210.03912	5.2
214.01305	1.8
215.02226	1.4
216.02919	2.8
217.08575	1.9
218.00955	1.4
218.04466	0.9
218.09315	1.3
219.04698	5.1
222.00386	1.1
222.03955	1.8
224.00008	0.9
225.05739	3.1
226.01642	1.5
228.02826	6.0
232.02345	1.9
240.02974	1.8
242.00740	1.2
242.04489	1.0
243.01617	3.4
244.02478	2.8
251.07346	18.5
252.02803	0.8
258.04013	1.3
261.02634	2.5
270.00375	1.8
270.03864	1.0
270.07632	2.5
271.01151	1.5
271.08426	3.8
272.01877	3.2
273.99872	1.4
274.05078	1.0
282.07724	1.8
286.00381	1.1
286.03296	3.9
288.01266	1.1
292.00839	3.6
294.07648	0.9
296.01883	8.4
296.09048	3.7
297.09824	2.2
297.99829	8.2
298.10400	1.1
299.00558	2.6
302.04453	1.2
304.01001	0.9
313.99460	1.7
314.02890	4.5
316.00833	13.3
316.06082	2.0
317.01675	2.5
328.06329	1.5
330.04257	1.2
330.07883	32.1
331.08163	1.1
332.09204	1.2
334.01724	5.4
344.05450	3.8
344.09219	1.2
346.06885	1.3
374.06488	3.1
390.05762	2.2
390.10162	0.9
391.06625	1.0
400.03595	9.9
400.08228	7.5
402.05951	4.3
403.06717	2.1
403.44772	0.9
418.05240	9.5
418.09305	11.5
419.05600	0.8
420.06989	4.7
421.07605	1.6
436.06595	4.1
494.12503	1.0
504.10141	11.1
513.97858	1.0
522.15826	34.9
523.12256	8.0
536.75073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
68.82449	0.6
69.03410	0.6
70.06585	0.6
74.09711	1.3
77.03938	0.5
79.05488	6.8
90.04694	0.8
91.05459	0.9
95.04961	1.7
97.02892	1.1
103.05477	9.2
105.07027	59.4
106.07384	0.7
107.04984	0.8
115.05446	11.7
118.04148	5.1
119.05011	0.4
122.02407	0.6
126.34653	0.6
129.07024	0.6
131.04927	3.9
132.05707	1.8
133.06488	56.6
134.06842	0.9
137.07780	0.5
137.95296	0.4
138.01855	1.4
143.04890	1.4
143.06044	4.7
147.04439	0.5
157.06500	0.6
158.07245	0.9
161.05972	100.0
162.06329	2.0
164.03386	1.2
165.04062	0.9
166.01352	2.0
167.02135	1.8
167.07042	2.1
168.02936	1.0
169.01302	0.7
173.06007	0.5
178.01216	1.0
180.02823	0.7
185.03198	1.3
185.05983	0.7
187.02187	0.6
191.05327	1.0
191.07047	0.7
192.02908	7.1
192.07800	1.1
193.03307	3.4
193.08594	56.1
194.08850	0.6
201.03621	0.9
210.03983	4.9
217.08586	0.8
218.09358	1.8
219.04768	4.7
220.05623	0.5
225.05795	2.8
226.01720	1.4
242.08151	0.5
251.07365	17.1
270.07541	1.5
271.08368	2.0
273.07553	1.3
274.07916	0.7
282.07620	1.1
294.37885	0.5
296.09164	5.3
297.09848	1.6
298.10736	0.6
310.05173	0.8
317.02841	0.5
328.06302	1.1
330.07932	29.1
331.08035	1.3
342.08054	0.5
347.07654	1.1
387.92020	0.5
422.25912	0.5
498.28152	0.5
504.18518	0.5
522.15430	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	522.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02995	0.2
68.83839	0.2
70.05959	0.6
70.06561	0.3
71.06113	0.6
78.48897	0.2
81.03378	0.2
82.04057	0.4
85.02901	0.5
93.47594	0.2
93.59603	0.2
97.02892	0.2
99.97353	0.2
110.03519	5.6
114.67627	0.2
122.05911	0.2
128.04575	0.5
135.03000	1.9
137.08215	2.2
140.04723	0.2
151.03822	0.3
153.04068	2.1
153.05267	0.3
162.07755	1.0
165.06445	0.7
180.08781	100.0
181.04906	2.3
181.09183	1.3
192.17735	0.2
226.10663	0.2
278.35553	0.2
346.09851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41136	0.4
69.03433	1.3
69.08145	1.8
69.08569	2.0
77.76779	0.5
81.03430	0.6
85.02911	3.4
92.50431	0.5
95.04958	0.8
95.61668	0.5
97.02895	0.7
98.23526	0.9
103.05467	39.4
114.43884	0.5
127.03891	0.9
131.04924	100.0
132.05269	2.3
145.04936	1.4
151.03873	1.1
163.07541	37.8
164.07893	0.9
181.05173	1.2
192.03864	0.5
197.08044	0.6
436.77823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50216	4.1
51.64383	5.2
52.09085	4.1
55.05503	14.7
57.47345	4.6
67.05503	24.3
69.07066	21.5
69.22795	27.5
71.04992	11.4
79.05491	32.5
81.03429	6.3
81.07054	100.0
83.05009	4.3
83.08613	18.0
85.02901	17.3
87.00821	10.8
89.06023	4.6
91.05468	15.6
93.07037	52.5
95.01325	6.8
95.04951	10.3
95.08612	31.9
97.06521	5.1
97.10236	5.1
99.08080	5.0
105.01871	9.6
105.07034	32.7
107.08592	43.5
109.06512	9.5
109.10178	22.2
109.93612	4.4
111.08067	4.2
117.07028	8.0
119.08588	40.0
121.10146	17.4
123.11707	14.4
127.03911	8.5
127.11199	13.0
131.08565	13.1
133.10136	35.4
135.11670	54.0
138.05524	21.5
141.01807	22.0
143.10756	5.2
145.10098	7.8
147.11673	20.6
149.09625	14.2
149.13234	18.2
159.11725	12.1
161.13251	11.8
163.11166	4.9
177.12856	6.2
177.16417	5.3
195.13799	37.0
203.18004	24.7
204.04395	6.0
213.14803	33.1
221.18999	16.0
275.20059	66.1
293.21130	10.7
489.84305	4.6
504.16354	5.9
522.17871	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	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47430	0.2
53.95377	0.2
55.05503	0.3
56.05024	0.4
58.06615	0.4
60.08160	5.9
69.07059	0.3
69.85851	0.6
71.07371	3.2
83.08591	0.3
85.51213	0.2
86.09702	29.2
98.98467	2.9
104.10104	0.3
104.10739	2.7
124.99996	19.8
135.16876	0.2
143.01067	0.2
161.92764	0.2
163.90981	0.2
184.07330	100.0
185.07657	1.1
186.61206	0.2
232.59058	0.2
504.34482	1.1
522.35657	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02724	0.3
55.05513	1.4
56.05025	1.1
57.07080	0.5
58.06572	1.6
59.07366	0.3
60.08163	16.2
67.05499	1.0
69.07066	1.6
70.06606	0.3
70.70476	0.4
71.07373	6.5
77.79633	0.2
78.16795	0.2
78.47771	0.3
79.05490	0.4
81.07059	1.4
83.08613	1.0
86.09704	47.1
90.84049	0.3
93.07037	0.7
95.08614	0.9
97.10149	0.5
98.98463	4.1
104.10741	90.9
105.11077	0.6
108.78228	0.2
109.10163	0.5
111.08076	0.3
121.04188	0.2
125.00000	27.6
125.53545	0.3
131.04933	0.3
162.28639	0.2
163.01566	0.5
163.44102	0.3
167.64207	0.2
181.02654	0.3
184.07335	100.0
185.07741	0.7
199.04010	0.3
258.11002	1.2
297.99811	2.0
316.01004	0.6
319.72714	0.3
339.29044	1.3
368.44122	0.3
402.06271	0.6
504.34390	7.0
505.34720	0.4
522.11658	0.5
522.35547	21.9
523.35419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1085
Annotation	Spinatoside
Peak:m/z	Relative Intensity
50.15541	0.2
53.35627	0.2
57.03426	0.2
57.11441	0.2
59.64787	0.2
63.55461	0.2
69.11637	1.5
71.01337	0.7
73.02912	1.1
76.25866	0.2
76.43967	0.2
85.02906	1.6
86.95334	0.2
89.88520	0.2
90.12305	0.2
95.01350	0.3
98.09892	0.2
101.02388	0.4
106.56601	0.2
108.02134	0.3
113.02374	0.8
121.02867	0.6
122.03606	0.3
132.03790	0.2
133.02873	0.4
136.01543	0.6
137.02339	0.2
138.03104	0.4
139.21223	0.3
146.03589	0.2
150.03122	1.8
151.03896	0.9
153.01808	1.6
154.02591	0.5
155.03386	0.3
158.07251	0.5
165.01808	0.5
166.02600	0.6
167.03413	0.3
170.02185	0.2
176.04613	0.3
177.01715	0.4
181.01285	1.1
182.02074	1.4
183.02870	0.9
184.03711	1.1
185.06056	0.4
187.66934	0.2
192.04170	0.3
194.02121	0.7
197.04451	7.5
200.03195	0.7
202.06387	0.3
212.04625	0.3
213.05487	0.9
214.06210	0.7
230.05768	0.8
241.04947	3.4
242.05733	18.7
243.06090	0.4
245.04459	3.5
257.04477	0.3
258.05228	0.7
261.03928	0.3
268.03748	0.4
285.03836	0.7
286.04733	7.3
287.05219	0.3
289.03455	1.4
299.05783	0.3
300.06281	0.4
302.04245	0.4
303.04971	2.2
313.03403	0.5
314.04196	11.6
315.04965	0.6
316.05869	0.3
317.02902	0.5
325.03027	0.3
331.04462	2.4
332.05252	11.4
333.05591	0.3
346.07043	0.6
347.07608	100.0
348.08017	3.1
357.06024	0.7
464.89780	0.3
523.10944	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	523.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
58.06598	1.4
60.08161	9.0
69.45764	1.3
69.46160	2.2
70.20983	0.7
71.07381	3.5
86.09191	1.5
86.09702	26.0
86.10223	1.5
87.10037	2.4
87.10822	0.7
91.78701	0.7
98.23534	0.9
98.98450	2.6
104.10735	32.3
105.11061	2.6
124.99993	15.7
131.03667	2.0
131.04929	4.7
132.05319	0.8
135.11603	0.7
146.02419	1.0
151.02631	0.7
159.03143	7.2
163.02699	1.0
175.02649	1.2
184.07332	58.0
185.07660	4.4
187.02618	12.0
188.12178	0.7
201.00549	1.7
202.01308	1.5
209.40445	0.8
214.01476	1.2
215.02118	36.2
216.02390	0.7
219.01563	0.8
223.28545	0.7
228.99533	1.0
233.03113	5.4
242.00839	1.0
243.01616	68.4
244.01854	1.7
255.98701	0.9
258.00308	11.1
261.02661	33.3
269.03152	1.0
271.01102	30.7
272.01706	1.6
273.99768	1.1
276.01367	25.9
284.01953	1.3
285.99820	10.0
287.00351	1.1
289.02103	15.0
297.02298	0.8
297.99857	14.0
298.03485	2.0
299.00436	38.2
300.00983	0.9
302.02927	0.9
304.00912	5.2
304.06097	0.9
305.06769	0.9
316.00705	5.2
317.01569	20.1
320.05475	0.8
329.06793	0.8
334.02075	1.6
335.02652	2.6
347.07916	2.4
349.05978	0.9
351.67407	0.8
374.06744	1.3
375.07349	18.0
376.08160	1.1
390.06104	6.6
391.06717	1.2
402.06036	2.6
403.06793	64.3
404.07129	2.6
419.06323	6.2
420.07114	2.5
421.07855	16.4
437.07053	2.4
481.11462	1.0
504.34268	2.5
505.34390	0.9
506.12946	0.9
522.35742	6.7
523.12573	100.0
523.35217	4.3
524.12872	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	523.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76385	0.6
57.07107	0.7
69.30659	4.8
75.86603	0.8
86.09699	2.8
90.28625	0.8
103.42280	0.8
104.10748	1.9
112.43529	0.7
125.00011	2.4
131.04890	0.9
144.05727	0.9
147.03162	2.1
151.02623	0.8
159.03163	3.8
171.04416	8.3
175.02722	0.9
184.07355	9.9
187.02638	6.4
202.01405	1.1
215.02132	19.4
233.03212	2.3
238.06126	1.0
243.01607	33.7
243.04068	1.7
244.02100	0.8
255.98679	0.8
258.00302	5.7
260.07065	1.3
261.02667	21.3
261.07849	2.6
263.05600	0.9
271.01089	16.4
271.03879	1.2
273.02698	1.7
275.05402	1.0
276.01367	15.6
285.99832	5.4
288.06668	3.3
289.02142	8.7
289.07394	2.2
297.99884	3.9
298.03360	1.1
299.00491	16.0
302.03387	0.9
303.05182	1.5
304.00760	4.1
304.06064	1.7
316.01010	2.4
316.06085	2.3
317.01535	9.9
317.06799	3.5
328.06076	1.3
334.01740	1.1
335.02682	1.3
344.05515	8.4
345.06281	54.0
346.06665	2.1
356.05740	1.0
360.05078	2.9
372.04922	5.3
373.05753	31.8
373.10507	1.6
374.06192	1.4
375.07397	10.4
388.04431	6.2
390.06079	3.5
391.06729	1.6
400.04514	3.4
401.05072	27.0
402.05902	0.9
403.06781	22.6
414.06210	1.4
418.05038	0.9
419.05853	5.4
420.07141	1.6
421.07794	5.9
463.10428	3.2
477.12198	1.7
505.11453	100.0
506.11880	5.4
522.37927	0.9
523.12592	80.0
524.12750	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1446
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
54.75803	0.4
68.99724	0.4
82.70786	0.4
91.05415	0.3
104.04967	0.3
105.07020	2.6
115.05398	0.4
121.33661	0.3
126.18047	0.3
133.06458	2.5
140.00957	0.7
158.52570	0.3
161.05971	3.7
168.00549	4.3
169.01340	3.2
169.74220	0.3
171.36839	0.4
178.06248	2.2
179.06937	1.0
181.04845	1.5
184.04958	0.7
185.05666	0.4
186.00122	0.4
186.01581	2.8
193.08452	1.0
205.28038	0.3
215.04958	0.4
215.06808	4.5
225.13307	0.4
229.02725	0.8
229.04944	10.2
229.38185	0.3
257.04388	1.5
273.03766	0.4
275.05429	0.5
285.03906	3.6
288.02542	0.4
300.06198	2.2
301.03241	0.5
303.04977	0.9
315.04977	1.0
315.08469	0.4
316.02338	0.4
317.06564	0.7
318.07120	0.4
330.03595	3.2
331.04266	0.5
345.06039	6.8
346.06805	59.3
347.07175	1.5
361.09152	100.0
362.09430	3.5
395.10385	0.4
479.15329	0.7
523.14063	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60273	1.0
69.50509	2.2
69.50919	3.2
70.06598	1.8
72.08149	1.5
79.05508	1.0
84.04492	1.3
85.02885	2.1
86.09713	1.8
87.00822	1.0
104.32666	1.0
125.05952	1.7
135.08046	1.1
163.07559	2.3
181.12241	2.6
237.04390	1.2
241.14478	1.4
276.06433	3.5
436.00266	1.1
438.11185	4.9
443.94501	1.2
451.25562	1.1
480.12643	74.9
481.12881	3.1
524.11633	100.0
525.11993	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	524.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73963	0.9
69.41293	1.9
69.41699	3.0
70.06584	1.9
72.08178	0.9
84.04523	0.9
86.09726	1.6
91.05468	0.9
97.02930	1.1
98.22612	0.9
104.05344	1.1
107.04930	1.5
110.06065	1.0
124.48302	0.9
124.76873	0.9
133.49596	0.8
135.08083	1.5
137.06024	1.0
151.03886	5.9
152.04254	1.4
163.07561	2.1
181.04959	1.0
238.97533	1.0
403.71808	1.0
438.11542	2.6
480.12680	50.2
481.12973	2.5
524.11646	100.0
525.11859	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	524.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25626	1.1
50.98694	1.1
55.66228	1.5
68.99816	2.0
69.06116	4.6
69.06524	5.1
81.16315	1.1
88.15909	1.2
88.51880	1.1
92.01352	1.6
96.04485	6.4
103.05467	6.9
105.07082	1.5
113.04575	1.1
123.00806	2.3
131.04919	15.8
138.01901	1.4
146.02364	1.9
149.53143	1.4
150.01857	4.0
154.01405	1.5
167.02150	2.8
168.02905	1.4
169.13129	1.3
172.00354	2.5
174.01865	2.2
177.00963	1.0
178.01372	12.4
186.01848	1.4
192.02966	2.3
196.02386	3.4
199.99771	4.8
200.01526	1.0
202.01418	4.5
202.33231	1.3
206.00938	1.9
214.01364	7.4
218.00789	7.2
220.02449	1.9
224.01865	3.4
227.99228	2.8
232.02440	12.6
242.00830	11.2
248.02017	2.1
254.00780	1.5
255.98741	4.6
260.01907	6.4
270.00360	4.2
272.01898	3.1
273.99811	29.6
282.07617	3.3
288.01373	4.8
292.00854	27.7
297.99820	57.4
306.02438	2.0
314.66940	1.4
316.00864	78.1
316.77774	1.2
317.01291	2.8
334.01907	55.8
335.02380	2.1
360.04706	1.7
366.00198	1.3
376.08481	1.7
402.06055	27.3
420.07123	85.1
421.07303	4.4
506.12354	100.0
507.12646	6.7
524.13446	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	524.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73606	0.7
67.00795	0.8
68.07692	0.7
68.99801	2.2
70.06167	1.7
74.64469	0.6
76.40087	0.7
91.05486	1.1
95.04967	1.2
103.05457	17.0
105.06986	1.6
110.02372	2.1
114.72327	0.8
122.02396	1.7
123.00779	2.8
124.03951	0.9
128.03471	1.1
129.06973	0.9
131.04915	51.2
132.05270	1.2
136.00316	0.9
138.01819	2.9
150.01840	6.7
151.00259	2.0
152.03416	1.2
154.01364	4.2
156.02878	4.6
162.01910	1.1
165.01823	1.9
166.01382	2.8
166.99815	1.2
167.02142	2.3
169.01297	0.9
169.06554	0.8
174.01846	1.9
178.01337	43.9
179.01723	1.2
180.02905	2.4
192.02895	6.4
194.00850	1.2
196.02402	17.6
197.06026	1.4
199.99669	0.7
200.01808	1.1
202.01315	6.2
204.02933	1.8
206.00824	7.8
209.05951	0.9
218.00893	2.7
220.02380	9.7
224.01884	16.3
225.05325	0.9
225.76898	0.7
229.04933	0.7
230.00795	5.1
234.16194	0.8
242.00824	1.2
246.00372	2.0
248.01898	9.6
249.99890	1.1
260.01944	1.0
264.01309	1.7
266.03055	2.6
269.07877	0.9
270.00262	1.1
270.07455	1.5
271.08551	1.0
272.02002	1.3
273.99802	5.6
282.07510	8.3
288.01297	3.6
292.00824	10.9
295.85065	0.9
296.09119	1.3
297.99780	13.7
306.02286	3.4
306.07709	1.6
308.09113	2.4
310.01880	3.0
316.00839	52.6
334.01895	13.0
334.06705	1.5
352.07977	3.9
374.06558	0.9
376.07962	1.1
378.06110	1.0
392.07663	2.2
402.06012	10.7
403.04898	0.7
410.08459	0.7
420.07089	100.0
421.07556	4.0
438.08054	5.3
496.13660	1.7
506.12296	11.0
524.13379	19.5
525.13220	1.3
526.22485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.4
66.23225	0.4
68.99779	1.4
70.67739	0.6
77.03909	0.8
84.45585	0.4
91.05487	2.0
95.04972	2.1
103.05466	35.9
104.05805	0.5
105.04524	0.7
109.10949	0.5
109.11645	0.4
131.04922	100.0
132.05261	1.6
138.01871	1.0
141.06944	0.5
144.60345	0.4
150.01994	0.5
153.01831	1.0
155.04845	1.0
166.01343	1.3
167.02147	0.6
178.01343	9.5
181.90891	0.4
182.51955	0.4
196.02440	0.7
199.03917	1.8
205.99211	0.5
206.00876	3.2
213.05525	0.8
218.00920	0.6
220.02486	0.5
222.05446	0.4
224.01907	15.4
224.06772	0.5
225.05626	0.4
230.00839	0.5
236.07184	0.6
240.06555	4.3
241.02795	0.5
241.04834	2.3
242.08099	0.4
246.00348	0.6
248.01918	1.1
255.06502	4.1
257.08044	0.7
264.06552	1.0
268.06052	7.3
269.06729	1.0
270.00443	1.4
270.07822	0.6
270.81549	0.4
271.08203	0.5
272.01950	1.0
273.99893	3.1
282.07681	1.1
288.01495	1.1
292.00940	1.0
304.05862	0.7
306.07867	0.5
310.06866	0.6
316.00888	6.3
332.05466	0.7
334.01843	2.1
354.06198	0.4
356.05515	0.5
359.12323	0.5
374.06570	1.4
378.05969	0.8
392.07693	1.2
394.09387	0.7
402.06070	1.7
420.07126	15.3
438.08145	1.2
478.12805	1.3
487.91663	0.5
496.14075	0.6
506.12341	6.1
524.13361	20.3
525.13452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03923	0.6
62.75017	0.4
64.00633	0.4
68.99801	1.0
71.19490	0.4
77.03931	1.0
91.05499	1.8
95.04968	1.5
101.38505	0.4
103.05464	33.4
105.04520	1.0
131.04921	100.0
132.05237	1.9
138.01833	0.6
153.01845	0.5
155.04895	0.8
164.56760	0.4
166.01353	0.5
178.01343	8.6
178.99854	0.3
180.02878	0.4
199.03911	1.4
204.03024	0.5
206.00842	3.8
213.05699	0.6
220.02562	0.4
224.01888	15.2
230.00929	0.5
236.07150	0.4
240.06577	3.8
241.04854	1.8
248.01952	1.1
255.06584	1.0
257.08206	0.5
259.05963	0.5
264.06580	0.7
268.06039	5.4
269.06723	0.7
270.00458	1.3
270.07629	0.5
273.60547	0.3
273.99829	3.7
282.07672	1.1
288.01480	0.7
292.00964	0.4
297.99915	0.6
304.06140	0.7
306.07645	0.5
310.07211	1.0
316.00803	5.1
332.05258	0.4
334.01926	1.6
346.06931	0.3
356.05579	0.5
359.12872	0.6
374.06613	1.6
378.06348	0.9
392.07611	1.3
394.09125	0.5
402.06085	1.6
420.07114	14.5
421.07834	0.8
438.08179	1.1
460.11823	0.4
478.12958	1.3
496.14035	0.4
506.12332	6.3
506.50497	0.4
507.12885	0.4
524.13385	18.9
525.13855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67744	2.0
64.68726	1.7
68.99784	3.1
72.38453	1.7
91.05489	3.0
94.83698	1.8
98.23586	3.5
103.05461	19.8
105.07010	3.0
131.04927	57.2
132.05223	2.2
138.01900	8.2
150.01874	5.3
151.00264	2.5
152.03310	2.0
154.01306	3.5
156.02884	4.3
161.27164	1.6
166.01424	2.9
174.01871	2.2
178.01363	31.5
178.02798	2.9
187.04495	1.8
192.02916	3.2
196.02414	15.5
202.01373	5.4
206.00920	3.8
214.01337	2.6
218.00905	6.1
220.02371	5.6
224.01894	13.1
225.05415	2.3
225.81339	1.9
230.00810	6.6
232.02400	6.0
240.06563	9.6
242.00841	3.6
248.01994	7.0
249.99866	2.5
253.84067	1.9
255.06587	7.7
255.98743	2.6
256.26364	2.6
260.02036	3.8
266.03049	2.4
268.06113	7.9
270.00439	2.2
270.07584	5.1
272.01801	2.6
273.99774	8.9
282.07587	7.5
288.01364	3.7
292.00827	19.9
297.99786	24.9
299.00311	2.3
306.02359	2.7
308.08578	1.8
310.01971	2.3
316.00861	54.9
317.01474	2.4
334.01923	30.8
352.07831	2.4
392.07764	3.5
402.06168	11.4
403.06586	2.6
404.06924	2.4
410.08218	2.3
420.07117	100.0
421.07391	4.2
437.06787	3.0
438.07724	7.2
506.12253	36.4
507.12842	3.9
518.45709	2.1
524.13275	28.7
524.33685	2.6
525.13910	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	524.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63572	0.3
54.03474	1.8
55.05492	0.4
56.05030	0.5
58.06584	0.8
60.08158	5.2
61.08475	1.2
64.09875	0.4
64.47849	0.4
67.05479	1.2
68.01381	0.7
68.05840	0.6
68.99792	3.8
69.07070	0.6
69.08938	1.7
69.09353	0.9
71.07359	2.5
72.07690	0.7
76.18661	0.4
81.07054	0.7
82.02919	0.3
82.07401	0.4
83.08602	0.3
86.09193	0.8
86.09700	15.0
87.09490	0.7
87.10027	6.5
88.10336	0.8
92.01368	0.8
93.07020	0.4
95.04954	0.7
95.08572	0.6
96.08922	0.4
98.02395	0.4
98.98448	1.5
100.98847	0.8
103.05459	5.0
104.10735	24.2
105.03389	3.2
105.04494	0.5
105.07043	0.4
105.11070	10.3
106.11200	3.0
107.11500	0.9
110.02398	5.0
124.99993	6.4
126.00329	1.9
127.00417	4.0
128.00807	0.5
131.04919	8.9
136.03859	0.4
138.01851	84.4
139.02213	0.9
140.03424	1.0
141.06960	0.9
143.01024	0.4
150.01880	0.4
153.01804	2.3
154.01295	0.5
155.04828	0.4
156.02899	3.6
164.03397	0.7
166.01347	31.1
167.02087	0.8
168.02946	2.0
169.06412	0.8
171.04362	0.7
178.01355	4.2
184.02400	7.8
184.07333	15.4
185.03156	0.7
185.07687	9.9
186.07770	11.9
187.08112	2.2
192.02875	0.5
196.02425	1.6
197.05933	0.9
200.07077	0.4
202.01433	0.5
206.00877	0.8
214.08684	0.8
220.02480	1.2
222.05469	0.9
224.01888	1.5
225.05441	13.7
226.05873	0.5
230.00783	0.6
240.06534	100.0
241.06917	2.2
242.08084	8.9
244.02409	0.6
248.01921	1.1
255.06500	55.1
256.06839	1.4
266.02954	0.4
268.06027	80.6
269.06549	4.5
270.07574	37.0
271.08154	1.0
272.01822	0.5
282.07532	1.3
288.01328	0.7
292.00778	1.3
297.99832	1.7
300.01401	1.8
306.07675	0.4
308.09003	0.4
316.00836	4.7
334.01898	1.6
339.76074	0.5
352.08154	0.8
374.06525	0.7
402.06036	2.1
404.07751	0.9
420.07077	8.1
422.08658	0.6
438.08206	0.8
505.33606	1.7
506.12289	2.9
506.34116	0.5
523.34869	6.6
524.13324	14.9
524.34985	1.3
525.13617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06731	0.6
52.01879	0.8
52.55630	0.6
54.03462	1.1
55.01873	1.0
57.52049	0.6
67.01859	0.7
68.99781	5.1
69.20737	3.1
78.87740	0.6
79.05503	0.7
91.05483	2.1
92.99779	1.1
95.01311	0.6
95.04965	1.5
96.04486	2.4
103.05464	25.8
105.07043	1.6
110.02408	2.1
111.03180	1.0
115.05472	0.7
122.02411	2.2
123.00793	2.4
124.03963	2.4
128.06145	0.8
131.04918	81.1
132.05301	1.9
138.01843	7.6
140.03410	2.2
146.02357	1.5
148.00262	1.6
148.03973	0.7
150.01869	17.0
151.00229	1.0
152.03423	2.9
154.01344	9.0
155.04926	1.4
156.02968	1.1
164.03461	2.1
165.01993	0.6
166.01363	12.9
167.02133	4.8
168.02922	8.4
169.01321	2.4
169.06552	1.0
171.04460	0.7
173.05998	2.3
174.01857	2.1
176.03419	0.7
178.01324	16.2
178.02769	1.1
180.02957	0.8
184.02422	2.5
185.03215	2.9
190.01402	4.4
192.02902	37.3
196.02390	16.1
196.04070	1.1
199.03923	2.7
202.01398	2.6
203.99211	3.7
204.02991	1.0
206.00841	12.0
208.02464	2.9
210.03920	3.0
212.07176	1.3
213.05493	1.0
214.01366	0.7
215.07005	1.2
218.00848	6.9
220.02400	14.4
222.00351	1.6
224.01967	1.0
224.07126	0.7
225.05463	4.4
229.07202	0.7
230.00853	4.4
231.98889	0.8
232.02361	0.7
236.01851	3.5
236.07109	0.9
238.03511	2.0
240.01271	3.2
240.06500	1.5
241.04919	1.7
242.00832	2.0
242.08093	3.2
244.02509	0.9
244.85550	0.7
246.00256	6.8
248.01912	3.5
249.99803	3.8
254.08131	1.4
260.01904	5.1
264.01404	11.6
264.06421	0.8
268.00830	16.0
270.00201	3.0
270.07550	7.8
271.08423	3.2
272.01801	0.9
273.99896	2.0
276.06534	0.9
278.08249	1.0
280.05768	1.2
282.02469	1.8
282.07565	5.8
288.01355	29.2
292.00989	2.6
296.01855	0.8
296.09152	11.8
297.99817	10.6
299.00360	1.0
300.00348	1.2
306.02417	41.7
307.02551	0.9
308.05463	1.3
316.00876	18.6
316.04596	1.3
318.07431	1.1
320.05258	0.8
322.07205	1.7
324.08618	1.4
334.01926	4.8
334.07147	0.8
336.04828	0.9
346.07001	3.0
350.06696	3.9
354.06082	7.6
356.05661	1.1
374.06583	4.2
378.06122	3.1
380.69455	0.8
392.02539	1.7
392.07587	27.9
393.07645	1.4
402.06052	10.4
404.07260	1.2
410.08652	25.7
411.09149	0.7
418.12750	1.1
420.07101	74.9
421.07465	3.9
438.08115	5.4
454.12906	1.2
478.12762	10.1
482.12415	1.1
496.13831	28.6
497.14447	1.0
506.12430	10.8
524.13367	100.0
525.13580	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	524.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	6.0
69.59721	3.3
91.05460	4.9
94.02910	1.1
95.04959	1.1
96.73976	1.0
103.05458	21.0
105.07015	0.9
111.03172	0.8
115.05453	10.2
116.42158	0.8
117.06987	1.0
122.02371	1.5
123.00745	1.2
127.05512	1.1
128.06242	1.1
129.06987	4.0
131.04913	60.6
138.01836	1.9
140.03412	1.9
141.06995	3.4
142.06512	3.8
145.06493	1.3
150.01880	3.9
154.01367	2.1
155.04897	7.8
156.08052	1.6
157.06477	3.4
163.00270	1.0
164.03468	2.1
165.07060	0.9
166.01338	3.2
167.02126	4.7
168.02936	6.8
169.06474	1.1
170.06012	3.2
178.01309	4.9
181.06502	1.3
182.06041	0.9
184.07562	2.9
185.03214	2.5
190.01328	5.5
192.02924	6.3
196.02390	3.9
196.07686	1.5
197.05942	1.9
198.09149	1.4
199.03905	3.0
203.99356	1.0
204.02905	1.7
209.06070	1.0
212.07018	6.7
213.05397	1.8
218.00813	43.8
219.01028	1.2
220.02373	1.3
222.05489	0.9
224.07068	2.4
225.05482	5.5
226.08621	2.1
232.02376	2.5
236.01897	1.7
236.06993	1.6
238.05013	2.1
240.06577	2.3
241.04993	4.0
242.08333	1.4
246.00334	2.9
246.05585	1.2
252.06641	2.5
253.04953	4.4
254.08141	4.7
255.06490	3.1
260.01920	3.9
264.01450	3.1
264.06573	2.0
268.00717	1.4
268.05984	1.4
271.08365	2.3
272.09204	3.8
278.08047	1.1
280.06042	19.4
282.07544	8.9
288.01349	38.9
292.00906	1.7
292.06067	2.0
296.09158	2.6
297.99710	2.2
298.07040	1.9
306.02359	7.5
306.07611	1.8
310.07037	3.5
316.00815	20.1
322.07043	6.5
324.08792	1.1
334.01819	4.1
334.07047	1.9
346.06876	1.8
350.06705	2.2
352.08005	1.2
360.05215	2.3
364.08371	1.1
374.06473	2.6
378.06125	2.2
384.12210	13.3
385.12466	1.2
392.07629	25.7
402.05771	4.5
410.08533	3.9
420.07068	90.5
421.07187	3.5
438.08066	1.7
438.13333	5.0
464.11432	1.9
468.14490	2.4
478.12775	3.5
496.13907	7.7
506.11823	6.1
512.81970	1.1
524.13336	100.0
525.13849	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	524.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
65.52757	0.2
66.83545	0.2
68.99798	0.8
69.48751	1.0
79.05513	0.2
81.03412	0.4
84.04507	0.2
85.02895	0.3
91.05471	0.8
92.02648	0.5
94.02950	0.5
95.01277	0.3
95.04973	2.9
103.05470	5.2
103.06112	0.4
105.03380	0.6
105.04490	0.2
105.07028	1.0
106.12539	0.2
107.04963	0.3
109.02940	0.3
109.06506	0.4
112.03966	100.0
113.04291	0.8
116.02330	0.2
116.99789	0.2
117.87875	0.2
121.02782	0.2
121.13559	0.2
123.04430	12.7
124.03944	0.4
124.05212	0.4
125.05997	0.8
126.01873	0.3
127.03931	0.7
131.04926	11.8
132.05234	0.2
133.06491	0.5
137.05963	3.4
138.01892	0.3
147.00752	0.5
147.07973	0.2
150.01874	1.8
152.07071	3.7
153.07056	0.2
155.04961	0.4
156.07990	0.2
162.01878	0.3
163.00285	1.6
164.03479	0.4
165.01857	1.0
165.09119	7.2
166.01376	0.4
167.02126	1.3
168.02913	2.2
173.05925	0.3
174.01862	0.4
175.99641	0.2
178.01352	3.8
183.02888	0.4
183.04417	0.3
185.03206	0.6
187.00356	0.2
187.06023	0.3
190.01387	0.9
190.99782	0.7
192.02940	2.1
193.01385	0.6
196.02440	1.7
197.05986	0.2
199.04124	0.3
202.01370	0.4
202.99724	0.8
204.02983	0.6
206.00848	1.6
206.99368	0.4
207.30911	0.2
209.00899	0.5
210.03990	0.6
212.01956	0.3
214.01329	0.7
214.99832	0.8
218.00848	0.7
220.02451	1.3
221.00816	0.3
224.01910	0.7
230.00851	1.7
230.99228	1.4
232.02390	1.4
236.01965	0.3
238.03606	0.2
240.06610	0.4
242.00803	1.7
242.99278	0.3
244.02394	0.5
246.00345	0.7
248.02023	0.8
249.00284	0.9
250.03661	0.2
254.00821	0.8
255.98668	1.5
256.97116	0.2
260.01971	1.1
261.00159	0.5
264.01401	0.5
270.00327	1.0
270.98645	0.3
271.08347	1.5
272.01883	1.3
273.99921	0.7
274.09241	0.4
276.12305	17.5
277.12585	0.6
282.07648	0.3
288.01395	6.5
289.02121	0.3
292.00974	0.7
297.07578	0.3
297.99823	6.5
298.98151	6.1
300.01443	0.3
301.05112	0.6
306.02444	1.2
316.00876	15.4
316.99164	6.0
324.08698	0.3
329.04492	0.6
334.01868	1.9
335.00537	0.6
346.07065	0.9
347.05423	0.3
350.06525	0.4
357.03925	5.5
360.04938	0.3
360.09198	5.3
374.06726	1.5
375.04538	0.3
376.08289	0.3
392.07651	2.8
402.06094	8.6
403.04303	1.7
405.11081	0.6
410.08691	1.5
420.07120	11.9
421.05615	1.9
433.10764	0.4
438.08435	0.4
438.17688	0.4
461.10239	1.8
478.12845	6.6
479.12631	0.3
480.18851	0.5
481.64359	0.2
496.13803	0.8
506.12424	4.2
507.11417	0.9
524.18250	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	524.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
57.03420	0.3
65.03939	2.5
67.05495	0.9
69.03426	1.4
69.66209	0.7
70.06578	0.5
70.80558	0.3
71.04981	0.3
73.02935	0.3
74.57213	0.2
76.71152	0.3
77.03889	0.3
81.03417	3.3
82.04195	1.1
85.02903	2.9
93.03395	0.6
95.04961	1.3
97.02887	1.6
97.06538	1.0
99.04443	0.5
100.30794	0.3
108.02100	0.3
109.02882	1.7
110.03643	1.1
110.06034	0.6
111.04431	0.9
119.32993	0.3
121.02860	0.3
121.04016	0.3
123.04413	1.0
125.05978	1.0
127.03948	0.4
137.05969	0.3
137.86150	0.3
138.03099	0.9
140.04668	5.8
140.05672	0.5
140.73213	0.3
142.02654	0.3
151.03932	1.4
153.05467	3.2
155.07027	2.8
171.06508	3.5
181.04941	100.0
182.05293	2.2
199.05995	6.4
325.09225	4.2
343.10196	7.2
394.67810	0.3
500.61551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.1
51.02384	0.1
52.01905	0.1
53.03920	0.2
55.05497	0.1
65.03938	0.1
67.05496	0.3
68.05009	0.1
69.07058	0.2
71.04974	0.1
78.03451	1.3
79.04218	0.2
79.05488	0.7
80.05009	4.2
81.03416	0.2
81.07041	0.4
85.06493	0.1
85.30101	0.1
85.60484	0.1
91.05473	2.0
93.07037	0.9
95.04948	0.4
95.08600	0.8
96.04487	2.9
97.06511	0.1
98.23454	0.2
105.07025	1.6
106.02909	1.6
107.08574	1.4
109.06512	0.3
109.10138	0.2
111.04494	0.2
115.05431	0.2
117.07004	0.7
119.04931	0.2
119.08569	1.9
121.06520	0.3
121.10133	0.6
122.02392	0.1
123.08064	0.5
124.03941	100.0
125.04272	0.9
127.03889	0.2
131.08586	0.6
133.06487	0.1
133.10138	0.8
135.08058	0.4
137.05952	0.2
137.09569	0.1
139.07503	0.1
140.03419	0.2
141.06964	0.2
142.07785	0.3
143.08571	0.7
145.06470	0.2
145.10048	0.6
147.08054	0.3
147.11694	0.4
149.09653	0.3
154.38281	0.1
155.08574	0.4
156.09360	0.4
157.10132	0.9
158.10925	0.1
159.08165	0.1
159.11638	0.6
161.09593	0.3
161.13243	0.2
163.07561	0.3
167.08566	0.2
168.09380	0.1
169.10103	0.5
171.11694	0.4
172.12488	0.2
173.09665	0.2
173.13266	0.5
175.11183	0.3
176.11934	0.3
177.09067	0.1
177.12762	0.1
182.10857	0.2
183.11684	0.5
185.13229	0.2
187.14801	0.2
193.10196	0.2
195.11687	0.3
196.12384	0.1
197.09647	0.1
197.13353	0.4
199.14691	0.1
201.09004	0.1
203.10602	0.2
203.14288	0.2
207.11775	0.1
209.13263	0.4
209.77628	0.1
210.13998	0.1
211.11162	0.1
211.14821	0.4
215.10822	0.2
217.12207	0.2
219.13797	0.1
225.16394	0.4
229.12328	0.2
234.14064	0.1
249.16280	0.2
253.15843	0.3
257.15350	0.2
259.16885	0.1
267.17325	0.2
271.16968	0.6
277.15927	0.1
286.89343	0.1
289.17819	0.1
295.16922	0.6
313.17889	1.1
331.19101	0.6
373.20123	0.2
382.63065	0.1
436.21295	0.3
454.22034	0.8
524.26404	12.1
525.26666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
60.04254	0.9
64.23143	0.9
67.05489	3.2
69.03428	2.0
69.07066	2.1
69.08882	6.1
79.05486	2.2
81.03408	3.6
81.07040	4.9
83.04971	1.2
83.08636	1.1
91.05479	5.0
93.07047	6.3
95.04967	1.7
95.08611	8.0
97.02325	0.9
97.02866	4.9
99.04462	0.9
105.07025	7.1
107.08598	4.6
109.06528	3.4
109.10130	3.5
113.81037	0.9
117.07005	2.2
119.08571	12.7
121.06483	1.4
121.10126	4.0
123.08041	2.5
124.03944	12.3
125.05961	1.1
127.03925	3.5
128.06151	1.5
129.06987	1.1
131.08539	6.7
133.10133	6.3
135.08055	3.5
141.06964	1.8
142.07768	2.7
143.08560	4.7
144.09386	1.1
145.10135	15.1
147.08020	2.2
147.11679	6.6
149.09612	1.2
153.05383	1.1
155.08548	3.7
156.09309	4.9
157.10094	10.2
158.10867	1.4
159.08043	3.0
159.11684	7.2
161.09619	2.6
161.13255	1.9
163.11305	1.3
165.09137	1.3
167.08569	2.2
168.09300	2.0
169.10121	9.2
170.10890	5.4
171.08003	1.4
171.11679	9.5
173.09644	7.1
173.13255	7.5
175.11099	1.6
175.14790	2.0
177.09070	1.0
179.08527	1.2
181.10101	3.9
182.10846	1.7
183.11667	9.7
185.09645	2.5
185.13243	7.5
186.14061	1.2
187.11182	5.9
187.14792	11.2
188.11932	2.3
189.12714	2.7
193.10103	5.1
194.10893	1.6
195.11572	4.3
196.12471	5.1
197.09557	1.5
197.13260	7.0
198.13937	2.2
199.14809	2.0
201.09081	1.2
201.12779	4.4
201.16338	2.7
203.10660	2.2
203.14296	1.3
205.15814	1.1
207.11673	7.2
209.13261	3.2
211.11275	2.0
211.14789	17.4
212.12123	1.0
213.16360	3.8
215.10747	1.6
215.14247	9.4
217.15742	1.1
219.11670	1.3
220.12515	2.9
221.13167	3.3
223.14815	2.0
225.12833	2.0
225.16318	5.4
229.12277	1.4
229.15894	4.7
231.10056	5.3
234.13910	2.4
235.14796	9.5
236.15544	1.5
239.17868	1.9
249.16359	3.9
253.12222	2.7
253.15863	3.6
255.13794	1.7
257.11557	2.3
257.15497	1.0
266.13123	1.5
267.13629	1.3
267.17456	3.7
269.15323	1.5
271.13327	2.2
271.16888	2.8
277.15930	2.0
280.14432	1.2
285.14865	4.9
285.18475	4.2
295.16895	17.5
313.17950	67.6
314.18152	2.1
331.18985	6.3
373.20068	100.0
374.20239	3.4
522.62463	0.9
524.28412	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	524.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37186	1.6
54.24311	1.6
55.05516	8.9
57.07052	2.0
59.57399	2.1
67.05494	11.0
69.03406	2.4
69.07060	7.7
69.12457	11.4
75.26073	1.8
79.05467	8.7
81.03432	9.8
81.07047	21.0
83.08615	6.0
85.02897	5.9
85.06561	2.3
91.05466	10.7
93.07033	17.3
95.04964	4.4
95.08600	22.1
97.02896	7.9
97.06528	4.1
105.07025	19.5
107.08587	17.0
108.65939	1.9
109.06507	7.0
109.10130	10.5
111.04417	4.6
117.06989	6.5
119.08570	32.7
119.12511	1.7
121.06491	3.8
121.10143	10.1
123.04459	2.3
123.08051	4.3
124.03920	6.9
125.05994	2.4
127.03899	5.2
129.06985	5.4
130.07797	2.4
131.08543	15.5
133.10126	25.1
135.08038	15.0
135.11717	3.1
141.07004	4.0
142.07770	8.3
143.08565	14.9
144.09372	2.4
145.06477	2.7
145.10097	29.1
146.59822	2.2
147.08049	6.2
147.11649	13.2
149.09618	5.8
155.08517	10.3
156.09335	8.8
157.10124	22.9
158.10927	3.8
159.08063	8.1
159.11679	22.6
160.08879	1.9
161.09598	5.1
161.13237	8.4
163.11259	2.8
165.09102	2.1
167.08565	2.9
168.09334	4.2
169.10112	38.7
170.10939	9.3
171.11699	25.2
172.12450	3.6
173.09628	14.4
173.13232	17.5
174.14053	2.4
175.11189	5.2
175.14796	6.5
175.51624	1.7
177.09142	4.5
177.12726	13.3
177.16345	8.5
179.08549	2.3
180.09380	2.2
181.10075	6.7
183.08101	2.2
183.11670	24.3
184.12549	2.7
185.09608	4.8
185.13260	13.1
186.10309	2.2
187.11183	10.6
187.14778	27.4
189.09090	3.1
189.16302	2.0
192.09370	2.0
193.10106	7.2
194.10867	2.5
195.10149	3.3
195.11739	8.1
196.12508	8.5
197.09622	3.7
197.13255	13.3
198.13953	2.9
199.11111	4.1
199.14766	3.9
201.09026	2.5
201.12677	7.0
201.16347	11.5
203.10732	3.9
203.14328	2.3
203.17683	1.8
205.10201	2.2
205.15851	8.7
207.11691	7.2
209.13206	9.1
210.14032	6.4
211.11217	5.1
211.14795	27.1
213.12631	2.6
213.16234	4.2
215.10663	19.0
215.14238	12.5
216.15060	2.0
217.12196	6.4
219.17461	2.0
220.12494	3.2
221.13257	6.1
223.14859	4.1
225.12801	3.1
225.16347	25.9
227.14362	4.2
229.12218	7.2
229.15797	9.2
231.10158	5.6
235.14989	8.5
239.17909	10.0
243.13838	2.1
243.17419	3.8
247.13257	5.2
247.16971	4.0
249.16313	8.5
253.12224	4.6
253.15910	12.6
255.13805	5.7
257.11713	3.7
257.18954	2.2
267.13831	2.8
267.17371	11.1
269.15341	1.8
271.13568	3.1
271.16956	11.0
284.14066	2.3
285.15292	3.0
285.18420	29.6
289.18042	4.7
295.16937	25.1
303.19510	53.9
313.17938	100.0
314.18152	5.2
331.18988	36.4
373.20041	81.3
374.20383	3.7
391.21127	8.9
524.28357	31.8
525.28790	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	524.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40808	2.9
55.05496	3.7
67.05507	5.1
69.03419	2.9
69.07066	3.7
69.76622	7.4
75.22060	2.4
79.05492	4.9
79.81400	2.4
81.03410	7.5
81.07031	5.6
91.05483	6.1
93.07015	13.1
95.08607	10.3
97.02905	5.3
98.22783	3.3
105.07037	10.4
107.08572	6.2
109.06551	4.0
109.10176	3.0
117.07011	4.4
118.97140	2.0
119.08580	15.9
121.06536	2.8
121.10167	5.6
123.08066	3.8
127.03898	3.7
129.06989	5.3
131.08582	9.4
133.10075	12.7
135.08022	7.8
142.07800	5.9
143.08511	13.0
145.10109	17.7
147.08063	5.1
147.11687	8.7
155.08595	6.2
156.09323	8.1
157.10115	15.5
159.08072	4.7
159.11710	9.9
161.09613	5.4
167.08611	4.0
169.10135	14.5
170.10982	5.5
171.08055	2.4
171.11639	20.8
173.09624	12.2
173.13266	8.7
175.11269	3.0
177.12807	3.1
179.08566	4.7
181.10106	8.7
183.11685	15.7
185.09642	4.6
185.13240	8.7
187.11194	8.5
187.14825	17.3
188.11931	3.5
189.12727	4.3
193.10081	11.0
195.11754	4.9
196.12447	8.7
197.09741	2.5
197.13245	10.4
198.13962	3.8
201.12646	3.1
203.10655	3.2
205.15787	2.7
206.10834	3.5
207.11642	19.1
209.13268	8.4
210.13982	4.2
211.11349	5.2
211.14812	30.6
213.16347	4.1
215.14200	14.9
219.11720	3.2
220.12494	9.4
221.13304	8.8
223.14842	3.3
225.16399	7.4
229.15816	10.8
231.10138	7.3
234.14120	3.4
235.14790	18.7
236.15311	3.2
239.18036	5.1
249.16400	9.6
253.12317	8.6
253.15927	8.3
257.11652	3.2
267.17380	3.5
269.15469	3.5
271.16797	4.3
277.15878	3.5
280.14508	4.9
285.14716	7.4
285.18237	5.5
287.16605	2.6
289.18137	3.0
295.16901	37.0
303.19208	2.6
313.17923	100.0
314.18335	4.5
331.19000	24.3
373.20059	92.2
374.20410	5.3
524.28687	19.1
553.01605	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
55.11662	1.0
57.07051	1.0
67.05501	3.2
69.03428	2.3
69.07066	2.0
69.76528	3.0
79.05493	2.8
81.03406	4.5
81.07046	2.7
81.78981	1.2
83.04987	1.5
87.36530	1.0
91.05479	4.0
93.07046	4.0
95.01130	1.2
95.04964	3.2
95.08608	4.9
97.02889	4.2
97.06528	1.5
98.22708	1.3
105.07027	7.2
107.08572	4.6
109.06496	2.5
109.10124	3.3
111.04473	1.3
117.07020	2.1
119.08586	14.4
121.06503	2.4
121.10139	4.3
124.03959	8.9
125.06017	1.1
127.03913	2.4
129.07028	1.8
131.08549	5.6
133.10100	7.7
135.08054	2.9
142.07742	2.0
143.08514	5.9
144.09344	1.5
145.10118	12.7
147.11687	7.3
153.05460	1.3
155.08551	4.4
156.09343	3.8
157.10106	9.2
158.10870	1.6
159.08041	3.8
159.11679	6.9
161.09636	2.4
163.11108	1.1
167.08527	3.2
168.09334	1.6
169.10080	8.3
170.10913	4.4
171.11670	8.5
173.09648	8.0
173.13266	5.2
175.11240	3.0
175.14781	1.4
179.08524	2.2
181.10060	2.1
182.10936	3.1
183.11681	7.3
185.09628	4.4
185.13237	5.2
186.10397	1.5
187.11171	4.5
187.14819	12.8
188.11955	2.9
189.12688	1.3
192.09409	1.9
193.10098	5.4
194.10957	1.6
195.11636	2.4
196.12517	5.3
197.09602	1.3
197.13216	8.0
198.13960	1.4
199.11096	1.3
199.14819	2.1
201.12680	3.2
203.10594	2.1
203.14384	2.7
207.11652	6.9
209.13210	2.9
211.11253	4.2
211.14806	18.3
213.16368	2.9
215.14308	10.4
219.11606	1.4
220.12437	3.2
221.13280	2.9
223.14835	3.0
225.12775	1.6
225.16373	5.0
229.15843	4.3
231.10204	4.9
234.14018	1.6
235.14839	9.5
237.16455	1.5
239.17902	2.3
249.16415	5.2
253.12207	3.7
253.15866	2.9
255.13736	1.9
257.11548	1.6
267.17468	2.9
269.14981	1.1
274.08493	1.2
277.15912	2.4
280.14548	1.7
285.14838	5.9
285.18472	3.7
295.16934	18.2
313.17950	62.2
314.18564	1.9
331.18915	4.6
373.20059	100.0
374.20355	3.7
524.28363	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	524.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.1
65.03920	3.5
67.05502	51.5
69.03424	3.7
69.07059	19.5
69.51326	8.5
69.51714	6.9
71.04942	3.8
71.08625	18.4
73.02915	5.2
79.05498	26.5
81.07056	79.9
83.04964	6.7
83.08609	20.3
85.02894	18.9
85.06537	4.6
91.05465	25.5
93.07037	47.7
95.01320	14.1
95.04963	7.1
95.08625	18.8
97.06522	9.8
99.08097	21.2
105.07014	14.2
107.08578	21.8
109.10123	8.3
111.08086	10.7
113.02325	5.9
117.07037	5.1
119.08553	9.3
121.02850	4.9
121.10152	11.0
121.53228	3.6
123.11719	6.2
131.08575	10.4
133.10139	14.3
135.11719	17.1
138.05493	34.1
141.01817	55.1
145.10139	4.7
147.11674	4.1
149.13263	31.7
151.11197	16.2
159.02919	14.7
159.11688	14.8
161.13243	11.5
163.11168	5.5
165.12706	6.9
177.03920	6.7
177.12723	10.5
179.14294	12.3
193.08563	9.9
195.13782	100.0
209.08057	4.3
213.14839	84.9
214.15224	4.7
259.20663	6.9
277.21698	38.8
287.17096	3.5
295.22708	21.0
395.35504	4.3
478.33243	4.4
481.23798	6.4
492.18011	5.5
525.22797	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	524.3709
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05499	0.4
56.05025	1.2
57.03434	0.6
57.07073	2.5
58.06569	2.0
59.07383	0.6
60.08160	17.2
60.17202	0.3
67.05489	1.1
69.32165	1.4
70.06599	0.3
71.07368	7.0
71.08629	2.0
73.24546	0.3
79.05502	0.3
81.07041	0.6
83.08605	0.5
85.10165	1.0
85.14202	0.3
86.09699	49.7
95.08601	0.9
97.10140	0.5
98.98450	4.1
104.10735	100.0
105.11061	0.8
107.50595	0.3
109.10126	0.4
124.99994	27.8
143.01099	0.4
147.48041	0.4
163.01482	0.6
181.02585	0.3
184.07329	99.6
185.07658	0.5
190.01952	0.3
256.02945	0.3
258.11081	1.3
341.30539	1.3
447.28586	0.4
506.36032	8.2
507.36517	0.4
524.37085	26.5
525.37262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05510	12.3
57.03434	14.2
57.07074	4.8
59.05000	4.2
65.03925	2.2
65.87236	1.6
67.05504	100.0
69.07069	7.6
69.17863	3.4
69.18267	8.6
71.04996	2.9
71.08627	2.3
79.05492	21.0
80.61047	1.5
81.03419	5.3
81.07057	37.7
81.85894	1.6
83.08631	11.7
85.06580	2.2
91.05470	14.8
93.07040	26.6
95.04987	3.9
95.08612	29.4
105.07038	8.9
105.16953	1.7
107.08607	13.0
109.10154	82.6
111.08111	3.7
117.07058	3.3
119.08564	12.0
121.10134	13.5
123.11680	2.0
125.09570	1.8
131.08548	4.5
132.69936	1.6
133.10141	6.0
133.50888	1.7
135.11705	8.0
137.09619	3.3
137.62259	1.7
145.10085	2.9
147.11703	3.5
149.13275	2.4
155.10657	5.5
159.11742	4.5
166.49290	1.7
173.11758	20.3
173.13161	2.4
187.14944	1.9
212.33502	2.1
227.12825	1.8
229.14345	54.1
243.21111	2.2
261.22250	8.4
268.16293	2.3
314.27515	1.9
335.25793	54.7
489.35681	27.1
506.39063	2.7
508.21255	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	525.1577
Annotation	Pityriarubin B
Peak:m/z	Relative Intensity
52.24271	0.5
57.36713	0.5
69.03434	0.7
69.18533	3.6
87.96562	0.5
103.32393	0.6
105.06999	1.3
106.27166	0.6
121.06464	0.7
137.05978	1.5
151.03934	0.8
155.03064	0.6
211.07590	0.6
213.07976	0.6
253.03082	0.8
308.05588	0.6
317.08649	0.7
318.70105	0.6
341.08224	0.7
349.11508	1.1
359.09323	1.1
385.07489	1.1
403.08472	2.5
421.15887	2.0
439.15811	5.1
463.16119	1.0
481.16803	58.0
482.17136	1.8
487.68417	0.7
525.15765	100.0
526.16083	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	525.2104
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
56.96560	2.1
57.71877	2.1
60.20459	1.9
61.62238	1.8
69.24260	4.3
69.24655	10.0
73.02913	5.0
87.04495	5.0
87.05778	1.9
89.06055	10.3
89.50723	2.0
93.07014	1.9
96.98150	2.1
97.02885	2.7
98.23442	4.7
98.97585	2.5
99.03326	2.7
116.98643	2.7
119.70324	1.9
121.02862	4.1
121.04610	2.7
123.23381	2.6
127.01556	9.8
133.08638	4.5
139.01564	2.0
153.03090	9.7
165.07162	3.0
197.05826	2.2
267.06512	3.6
303.01263	3.5
305.02695	27.7
451.17456	7.4
481.22198	12.5
507.20050	3.3
525.21088	100.0
526.21600	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	525.2328
Annotation	Icariside E3
Peak:m/z	Relative Intensity
51.67864	0.5
52.44888	0.4
53.03940	0.8
55.01868	1.0
56.73232	0.5
57.03431	1.3
61.02916	2.1
65.03938	0.7
69.03430	5.0
69.07048	0.6
71.04964	1.0
73.02914	0.7
74.62766	0.5
79.05495	0.6
81.03426	3.1
81.07059	1.0
83.04996	0.6
85.02905	9.8
87.04451	0.6
91.03952	0.7
91.05491	1.4
93.07043	1.5
95.04990	0.6
95.08596	1.0
97.02885	4.3
99.04431	1.0
105.03400	0.7
105.07021	1.2
107.08589	6.4
109.02892	1.9
111.04459	0.6
115.07589	0.7
117.07037	0.9
119.08553	1.0
121.02811	0.6
121.06460	0.5
121.10159	0.7
127.03902	2.1
127.04744	0.5
131.04907	1.2
131.08516	1.1
133.06476	0.8
133.09988	0.7
135.04398	1.5
137.05945	1.4
145.04953	1.7
145.06468	0.5
149.02365	0.5
149.05978	1.4
149.09697	0.5
151.03862	2.6
151.07574	0.6
157.10039	0.7
159.08066	0.5
161.05969	2.1
163.03917	6.7
163.07565	3.0
165.05475	25.4
167.10684	1.1
173.05957	0.5
174.06813	0.4
175.04025	0.7
175.07544	1.7
177.05467	30.8
177.09079	2.0
178.05824	0.8
181.04997	0.8
185.09592	0.8
187.07549	0.7
189.05479	2.6
189.09132	1.8
191.07031	6.7
193.08556	1.1
195.06474	1.1
197.09558	1.0
199.07478	0.6
201.05473	0.7
201.09117	1.3
203.10617	2.3
205.04904	1.2
211.11107	0.6
215.07085	1.1
215.10680	1.1
217.08580	11.1
217.10509	1.0
224.32410	0.5
225.09079	1.2
226.74959	0.5
228.07692	1.0
229.08566	2.4
229.12184	0.7
231.10109	0.7
233.08078	6.2
235.09612	3.3
239.10580	0.8
242.09430	0.7
243.10159	7.5
243.13895	1.3
245.08040	1.2
253.12030	1.2
253.15988	0.7
255.10060	0.5
257.11694	0.7
257.15393	1.6
261.11157	0.7
263.14468	0.7
266.13013	0.6
267.13419	0.5
269.11819	1.1
271.13361	4.4
271.16406	0.8
279.06555	1.8
281.15244	3.8
283.12943	0.7
284.14056	1.2
285.14566	0.8
291.06537	0.9
299.13034	0.6
299.16367	10.6
305.08075	0.9
309.14755	0.8
317.13852	30.5
317.17392	2.9
318.14215	0.8
319.09775	0.6
327.15857	7.3
331.09503	0.8
333.07666	0.8
345.16949	47.0
346.17291	2.0
363.17990	100.0
364.18417	3.9
375.08542	0.8
411.10672	0.6
477.19608	0.6
489.11777	0.6
507.22366	7.7
525.13806	1.2
525.23114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39584	1.2
56.95503	1.3
69.36852	7.2
82.92245	1.4
89.06014	7.8
93.74317	1.2
105.07043	2.5
133.08586	6.8
138.99733	1.4
162.62991	1.5
175.99815	1.2
178.26694	1.4
327.20242	2.6
420.95657	1.4
445.29251	100.0
446.29581	4.0
525.23798	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	525.2882
Annotation	Fellutanine D
Peak:m/z	Relative Intensity
51.47527	0.3
52.89654	0.3
68.69850	0.3
69.18631	1.6
70.06594	0.4
70.30804	0.4
72.32320	0.3
82.21326	0.3
98.23555	0.8
122.67181	0.4
131.40581	0.3
165.05482	0.5
192.36539	0.4
242.70483	0.3
242.83681	0.3
307.53366	0.4
371.35031	0.4
481.13251	0.4
525.28809	100.0
526.29095	3.7
547.93402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	3.4
64.38045	0.4
67.01852	1.3
68.99784	6.8
70.02947	1.4
70.70697	0.7
91.84894	0.4
92.01324	0.6
98.02448	0.6
102.49454	0.5
103.05437	1.1
105.03427	0.7
110.02395	6.8
120.96584	0.5
131.04907	1.2
136.03883	0.5
138.01855	68.2
139.02173	0.9
140.03397	0.6
141.06984	1.4
153.01820	1.3
155.04945	0.5
156.02948	2.5
164.03395	1.6
166.01353	99.0
167.01837	1.6
168.02917	4.0
169.06491	0.9
179.03368	1.5
180.03877	0.6
184.02405	15.2
195.39206	0.4
197.05981	2.0
200.07059	0.8
214.08627	2.0
224.06979	0.9
225.05457	31.5
226.05803	1.2
242.08109	24.6
243.08527	0.6
250.64471	0.4
253.04979	0.8
254.30875	0.4
255.06499	1.3
256.06857	1.4
257.08051	2.1
270.07596	100.0
271.08044	3.2
283.08023	0.7
318.01816	1.0
398.08228	0.5
404.07175	0.9
421.07550	1.0
422.07849	1.2
508.13354	2.2
526.14490	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	526.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90738	0.7
65.24207	0.8
68.99788	0.7
69.24393	2.6
69.24803	1.9
77.00265	0.8
77.99798	0.8
83.92276	0.7
95.04929	0.8
103.05465	13.7
103.75701	0.7
104.01321	1.0
105.03362	1.6
122.02354	1.0
131.04921	41.7
132.00774	1.8
132.05176	0.8
153.05153	0.8
160.00293	34.0
178.01328	6.1
194.06017	1.5
195.04276	0.6
196.16570	0.6
198.00366	4.9
203.99162	3.0
206.00822	3.1
222.00337	2.5
222.05440	2.1
240.01306	2.0
243.98763	51.1
244.99046	0.9
250.04961	3.4
261.99820	44.8
268.06033	0.9
280.00833	8.8
282.04022	1.2
285.99799	11.1
296.05533	1.0
300.04984	4.9
304.00839	9.0
306.03918	16.3
306.07394	1.0
310.06940	1.0
324.04907	2.9
336.03461	3.6
348.05002	76.3
349.05206	2.3
366.06073	16.2
380.07584	11.5
390.06064	17.6
408.07101	3.6
422.08673	100.0
423.09055	3.3
440.09750	1.0
484.13971	5.7
494.12277	2.7
512.13428	3.0
526.14948	36.5
527.15454	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	526.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36043	2.2
63.67676	2.2
67.05508	2.4
81.07050	3.4
86.09718	10.6
91.05472	2.9
103.05463	12.3
105.15762	2.4
110.02428	4.9
111.03166	6.0
123.00790	4.1
127.00404	2.4
129.19484	2.5
131.04924	27.0
132.05281	3.0
138.01842	20.3
139.00330	5.3
139.02678	2.3
153.01805	14.7
166.01352	26.5
167.02138	52.5
168.02914	8.7
169.01350	3.3
178.01381	6.8
180.02979	6.5
182.44675	2.4
184.02431	7.1
184.07330	6.6
185.03181	19.6
185.07747	4.9
186.07822	8.1
187.08145	3.1
190.01343	3.0
192.02927	4.6
204.02930	2.9
208.02469	3.3
222.03941	2.8
225.05614	6.1
242.08148	4.7
257.08090	11.2
270.07614	22.5
271.08368	30.0
272.09052	3.2
300.01453	8.4
318.02371	15.4
337.27444	5.1
369.32144	2.4
404.07733	4.6
422.08676	100.0
424.10248	2.6
440.09286	3.8
467.27496	8.2
484.13562	3.3
526.14850	94.8
526.35095	5.1
527.15094	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	526.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01868	0.7
62.86887	0.5
65.03927	2.6
67.05503	0.7
69.03427	0.9
71.43326	0.7
75.03724	0.5
81.03411	2.8
82.04208	0.9
82.06581	1.1
85.02902	2.7
93.03424	0.9
94.02902	0.9
95.04982	0.9
96.04504	2.0
97.06535	0.6
99.04483	0.6
100.57722	0.5
108.02132	0.6
109.02888	1.4
110.03676	1.4
110.06039	7.2
111.03192	0.5
111.04441	0.8
112.03962	100.0
113.04304	0.6
120.04445	1.0
123.04400	0.7
123.37096	0.5
125.05962	1.0
138.05496	94.2
139.05843	1.0
140.04680	2.0
145.81667	0.5
151.03831	0.5
153.05460	1.8
155.07065	0.9
166.04996	9.9
167.07018	1.3
171.06522	2.2
181.04947	68.2
182.05322	1.2
184.06042	94.4
185.06375	1.5
187.03870	0.9
199.06042	2.3
278.10229	0.7
325.09149	5.1
343.10092	2.6
355.87656	0.5
526.15607	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	526.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
65.03925	2.5
67.05494	0.9
69.03419	1.2
69.78590	1.5
69.78945	1.6
81.03409	5.2
85.02905	1.6
93.03416	3.9
95.04960	0.9
97.02894	2.9
99.04429	0.7
101.97586	0.7
108.02093	1.4
109.02840	1.6
110.03674	0.7
111.04439	3.1
125.05967	4.1
127.03892	1.2
136.01585	0.7
141.05435	1.8
151.03909	100.0
151.04993	7.2
152.04268	2.0
169.04979	12.6
169.06288	1.2
176.91141	0.7
242.79414	0.6
267.64883	0.7
295.08087	8.5
313.09232	6.1
349.08258	1.1
362.19168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70012	1.0
55.01897	1.3
65.82886	1.0
67.05495	3.6
69.03422	1.2
69.07060	1.7
69.61118	1.1
70.06590	1.3
79.05486	2.3
79.76544	1.1
81.03435	1.4
81.07069	1.6
82.06573	3.4
85.02911	1.7
88.29722	1.1
89.03941	1.4
91.05470	1.7
93.05766	1.4
93.07054	2.8
94.06557	11.0
95.07364	2.0
96.08125	12.9
100.11271	2.4
104.05026	1.3
106.06548	4.4
108.04492	3.1
108.08107	9.9
110.06050	1.6
110.09676	10.4
116.04963	8.5
118.06598	1.5
120.04479	2.0
120.08121	10.4
121.02871	2.2
122.06026	13.1
124.07583	38.9
136.07555	9.3
138.05516	2.2
138.09142	18.0
140.07033	9.6
144.04437	14.7
146.05998	10.3
148.07558	7.0
151.03996	1.3
152.07051	7.0
160.03963	3.9
162.05540	4.3
166.08629	32.3
168.06560	4.2
170.06024	1.4
172.03926	41.2
173.04561	1.5
174.05443	7.9
190.04984	65.1
191.05682	3.2
192.06573	1.7
193.82913	1.2
204.06554	35.0
206.08173	4.6
207.09196	1.9
208.09837	2.6
209.10733	1.9
210.14748	1.9
212.09373	2.1
222.07932	1.6
223.12320	2.6
224.09468	3.4
225.10258	6.9
227.11760	1.5
234.09319	1.7
235.08672	3.5
236.09465	8.4
237.10204	18.7
238.10886	1.5
239.11900	2.6
249.10271	3.7
250.11055	4.3
251.08012	2.0
251.09291	1.7
251.11757	16.1
252.09019	5.0
252.12474	1.9
253.09717	5.8
253.13261	1.6
255.11258	4.1
261.12323	3.1
263.11853	2.7
264.08926	2.7
265.09738	20.4
266.10406	3.3
267.11288	11.2
269.09161	1.2
278.06592	1.3
278.10486	2.0
279.11273	24.7
280.08917	1.4
280.11987	1.9
281.09265	3.6
281.12885	2.4
283.10757	2.2
285.12402	2.6
287.10254	2.9
293.09235	16.6
294.09866	3.7
295.10788	14.7
296.11157	1.5
297.12326	21.4
299.10263	6.3
307.10727	9.4
309.12323	3.5
311.10202	3.2
312.11084	2.1
313.11804	16.0
323.10336	8.6
324.11105	1.6
325.11810	100.0
326.12299	4.0
327.13321	1.9
329.11301	17.2
331.12894	1.6
335.10223	13.6
341.11295	13.5
342.11688	1.7
343.13016	11.2
345.14551	1.9
353.11298	66.7
354.11722	4.2
355.12973	1.9
357.14417	3.4
367.13156	1.6
373.13843	1.8
385.13986	19.1
386.14450	2.4
448.18475	2.2
450.19986	1.4
452.18188	7.5
466.20142	1.9
476.18283	11.6
494.19208	75.2
495.19458	3.7
508.20462	3.7
526.21289	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.05515	1.3
67.05497	1.9
69.07043	2.5
70.06593	2.2
71.41606	1.8
72.04496	2.1
77.57244	1.3
79.05476	2.5
81.07067	1.8
82.06574	2.9
83.08598	2.0
84.04503	4.5
93.05795	2.6
93.07057	3.0
94.06557	12.1
95.07334	1.9
96.08133	12.0
97.06522	1.6
100.11240	6.0
106.06544	3.1
108.04456	1.9
108.08086	10.3
110.09663	8.0
116.04953	9.0
118.06490	1.4
120.04436	2.1
120.08093	11.1
120.10134	1.4
121.02831	1.8
122.06034	12.4
124.07582	37.5
124.08439	2.6
128.07063	1.4
136.07562	8.6
138.05545	1.6
138.09113	15.3
140.07092	8.7
144.04424	13.7
146.06007	12.9
148.07573	5.5
151.03931	2.2
151.79109	1.7
152.07034	7.6
154.12245	3.8
160.03955	4.5
162.05501	3.4
166.08609	30.0
168.06612	4.8
172.03917	38.1
173.04671	1.4
174.05531	8.7
182.15410	5.4
190.04967	54.5
191.05672	2.6
197.10768	1.4
204.04599	2.1
204.06537	40.9
206.08064	3.2
207.09094	1.4
208.09818	1.5
209.10587	1.8
210.14864	4.1
211.12169	1.7
212.09499	1.7
223.08723	3.0
223.12277	4.3
224.09381	2.7
225.10155	8.8
226.10876	2.0
235.08739	3.2
236.09406	8.9
237.10199	17.6
238.10986	2.8
239.11783	2.9
243.11176	1.7
247.77274	1.4
249.10236	4.4
250.10909	2.9
251.11739	17.8
252.08961	3.5
253.09698	5.4
255.11211	3.1
264.09097	2.9
265.09644	25.6
266.10355	2.2
267.11246	11.0
278.06647	2.6
278.10461	1.8
279.11221	27.8
280.12030	2.8
281.09323	3.3
281.12527	1.6
281.18671	1.6
283.10748	2.3
285.12381	3.5
287.10220	3.5
293.09119	20.6
294.09995	4.3
295.10782	14.6
296.11453	1.6
297.12320	19.1
299.10214	5.0
307.10614	8.4
309.12271	6.4
311.10303	4.7
312.11111	2.4
313.11761	17.3
323.10272	6.0
325.11768	100.0
326.12286	2.6
329.11322	17.6
331.12799	4.1
335.10211	14.0
341.11310	12.2
343.12888	8.9
345.14502	2.7
353.11261	70.1
354.11783	3.7
355.12906	2.5
357.14560	3.5
367.13132	1.9
373.13754	1.9
380.29706	1.8
385.13831	18.9
386.14227	1.7
419.21231	1.7
448.18500	2.4
450.20160	2.0
452.18149	5.7
466.19745	3.9
476.18253	10.0
494.19153	92.2
495.19482	5.1
508.20807	5.2
525.36157	2.9
526.21460	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	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89013	0.3
53.03944	0.4
55.05495	0.7
57.03426	0.9
61.02927	0.4
67.05503	0.5
68.99789	0.3
69.03429	3.7
69.07065	2.7
69.19704	1.6
71.88493	0.3
73.02915	0.6
73.05872	0.3
75.54134	0.3
81.03413	1.1
83.04988	0.5
85.02898	9.0
87.00822	28.4
87.04478	2.1
88.01197	0.3
91.05480	0.3
95.04993	0.5
97.02886	100.0
98.03216	0.7
98.22601	0.5
99.04454	0.3
101.02380	0.4
105.01859	13.6
105.06979	0.3
109.02861	0.5
111.11698	0.7
115.03905	2.2
127.03895	1.6
143.03392	0.4
145.04938	0.9
157.04964	0.5
171.02898	0.3
183.02832	0.5
189.12718	0.5
199.41281	0.3
201.03928	41.1
202.04259	0.3
207.13757	0.5
219.02985	0.7
219.04996	10.7
225.03902	0.5
225.14891	0.3
231.05042	0.5
236.07639	1.5
267.14377	0.3
271.10690	0.3
311.14746	0.6
319.10220	0.8
345.08133	8.4
353.10895	0.3
355.27997	0.3
363.09149	2.3
415.29013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.05508	0.8
55.10567	0.4
57.03436	4.5
67.05489	0.7
68.99775	0.5
69.03068	0.6
69.03430	10.0
69.07061	3.5
69.46626	1.2
69.47018	0.9
73.02911	1.2
81.03415	0.7
81.07055	1.0
83.08587	0.5
85.02901	100.0
86.03218	0.8
87.00826	12.2
87.04476	5.3
89.06048	0.9
91.05446	0.6
93.07040	0.6
95.08609	1.2
97.02889	20.7
99.04482	0.6
100.11248	0.6
105.01865	8.2
105.07066	0.7
111.00822	2.1
111.11725	1.3
115.03928	10.7
127.01534	0.4
127.03900	2.0
133.04947	1.3
133.10143	0.7
138.05499	2.4
140.07106	0.5
145.04961	1.8
151.22726	0.4
153.03123	0.8
155.03377	1.1
161.13235	1.8
163.06059	0.6
171.02867	3.2
179.14322	2.6
197.15408	1.4
201.03929	19.0
215.16479	0.5
219.04988	47.9
220.05368	0.5
231.05017	0.6
249.06091	0.6
279.11121	0.4
293.09268	0.7
302.84167	0.4
313.11887	0.6
325.11798	0.7
335.10339	0.6
353.11331	2.2
369.38391	0.4
482.24292	0.8
494.19290	1.9
526.23553	4.1
527.21564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.05495	3.8
59.04992	1.4
60.91020	1.3
65.03937	1.8
66.85923	1.4
67.05499	18.5
69.03423	2.9
69.07069	3.1
69.51546	6.4
71.04981	1.8
74.62673	1.5
79.05487	4.8
80.05844	1.5
81.03391	2.2
81.07058	16.1
83.04960	4.7
85.02902	1.7
87.04427	2.0
91.05493	9.2
92.04977	1.9
93.07033	9.7
94.06528	1.7
95.04958	6.2
95.08592	4.4
96.25600	1.7
97.02885	8.9
97.06514	2.8
105.04554	1.7
105.06429	1.6
105.07005	8.7
107.04943	1.5
107.08591	6.5
109.06529	3.3
110.05980	2.8
111.04445	10.6
111.08092	2.5
117.06998	4.3
117.56935	1.7
119.04927	1.9
119.08591	16.4
121.02834	2.1
121.06501	2.5
121.10136	1.6
123.08179	1.6
125.06054	1.5
129.06998	5.4
131.08539	6.4
133.06509	1.7
133.10112	6.5
135.08025	10.4
137.06009	2.1
138.05496	76.6
141.07013	2.8
142.07793	5.0
143.08568	8.9
145.10110	6.1
147.04387	7.9
147.08022	7.6
149.02292	2.0
153.06975	2.8
155.07019	21.0
155.08412	3.0
156.09319	7.4
157.10144	15.3
159.08022	5.3
159.11690	5.2
161.09596	3.4
163.07516	2.6
163.11081	1.4
165.06932	2.8
167.08556	4.8
168.09290	1.8
169.10139	9.0
170.10919	5.2
171.11696	21.3
172.12445	1.9
173.09659	5.4
173.13289	9.1
177.09142	2.7
178.07759	1.5
179.08527	4.2
180.09386	2.8
181.08572	3.3
181.10112	13.0
182.10945	2.4
183.11664	10.9
185.09616	4.8
185.13243	10.8
186.10419	4.9
187.11104	2.8
189.08920	1.6
189.12804	2.7
192.09280	2.4
193.10078	12.3
194.10909	4.6
195.10150	2.6
195.11710	12.0
196.12520	2.0
197.13226	4.8
199.11113	10.3
199.14771	2.8
200.11961	11.5
201.12724	21.5
205.10127	3.1
206.10881	2.2
207.11662	10.1
208.12494	8.9
209.09500	3.2
209.13257	13.9
210.10646	2.0
211.11150	4.1
213.12752	16.1
217.10170	2.2
218.10899	3.4
219.11662	2.4
221.13278	7.6
222.14006	2.3
223.11249	3.7
223.14813	26.2
224.12085	1.6
225.12805	2.2
227.10619	2.0
227.14227	3.4
231.11813	1.8
232.12497	2.7
233.13132	8.8
235.11156	3.4
236.11859	3.0
237.12790	3.3
237.16359	6.8
241.12213	2.1
241.16031	2.3
247.14845	5.9
249.16435	2.0
250.13589	1.9
251.14288	27.0
253.12177	4.0
265.15900	12.1
269.15417	10.3
275.14301	2.2
283.13660	3.3
283.16907	13.8
287.16470	1.9
293.15424	11.3
301.17896	2.8
311.16385	100.0
312.16571	3.6
329.17438	38.5
333.13309	3.4
353.17590	3.0
369.16690	2.3
371.18509	28.5
374.64960	1.5
389.19373	3.3
431.20471	3.3
452.17688	3.7
461.39758	1.6
466.24319	2.2
491.22638	7.7
526.27789	7.7
526.34314	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	526.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76616	1.7
53.03946	3.4
55.01870	2.7
55.05507	2.6
57.03442	3.8
65.63080	1.7
67.05506	7.5
69.03412	8.8
69.07073	5.5
69.63093	3.3
69.63482	4.7
71.05022	2.4
73.02927	1.9
74.66975	1.9
78.99516	4.7
79.05477	12.3
81.03411	23.5
81.07064	8.2
82.53695	1.9
82.94583	4.5
83.04990	5.1
84.94289	2.8
85.02906	10.9
87.00830	5.3
89.06010	3.0
91.05459	18.1
93.07043	22.3
95.04974	6.7
95.08592	10.9
97.02887	10.9
97.06562	3.7
99.04436	2.4
101.02464	1.7
103.05436	2.0
105.01865	6.0
105.07007	18.5
107.04977	5.3
107.08587	18.4
109.02876	6.5
109.06506	10.7
109.10157	5.1
111.04465	2.6
113.00040	4.8
115.05359	2.1
117.07045	4.0
119.08566	21.4
121.06515	6.5
121.10135	17.2
123.08041	5.4
124.03960	2.3
125.06005	6.7
127.01558	100.0
127.03889	18.9
128.06216	3.5
129.07028	6.5
130.00764	2.0
131.08560	24.7
133.06445	2.6
133.10130	19.3
135.08041	12.2
135.11746	3.1
137.09604	3.4
138.05501	6.6
141.03073	3.3
141.07059	2.3
142.07776	8.1
143.08501	12.5
144.09372	2.8
144.98204	6.9
145.04958	3.6
145.06511	2.4
145.10106	15.1
147.08067	5.9
147.11697	7.1
149.06032	2.2
149.09598	25.1
151.07491	2.1
153.05476	2.0
155.08537	9.9
156.09288	11.8
157.10123	24.4
158.10954	3.7
159.08047	5.4
159.11699	19.5
160.08847	2.9
161.09589	21.3
161.13269	5.1
162.09969	2.0
163.07545	2.4
163.11192	4.1
165.07013	4.7
167.08575	5.1
169.10089	12.1
170.10896	21.9
171.08026	2.3
171.11688	26.2
172.08856	3.4
173.09613	11.6
173.13263	14.7
174.10382	3.7
175.11191	13.3
175.14825	10.4
179.08537	6.0
181.08592	9.1
181.10144	10.6
182.10896	3.3
183.11699	16.6
184.12491	6.2
185.09671	7.3
185.13228	33.0
186.10339	3.3
187.11230	11.0
187.14822	2.3
188.12045	2.6
189.09100	4.4
189.12740	9.8
192.09340	2.9
193.08588	3.2
193.10164	13.2
193.11957	2.5
194.10936	5.6
195.11659	10.3
196.12506	4.2
197.09631	5.0
197.13307	9.6
198.10486	2.5
199.11171	10.5
199.14819	13.6
200.11746	2.6
200.88310	5.5
201.12723	5.7
201.16431	2.9
202.88025	7.8
203.10646	3.6
203.14287	77.1
205.12253	5.7
206.10875	3.2
207.11671	10.6
208.12408	12.1
209.09587	3.4
209.13235	22.6
211.11256	4.0
211.14824	7.1
212.11880	2.5
213.12743	9.5
213.16376	4.7
215.10670	5.8
215.14380	2.7
217.08603	2.1
217.12274	2.4
217.15971	4.3
219.13818	2.2
221.13248	7.1
221.15250	3.0
222.13971	4.5
223.11214	2.9
223.14789	31.2
224.15459	2.4
225.12637	4.2
227.10667	3.4
227.14264	16.3
229.12320	2.9
229.15889	5.1
231.04959	3.4
231.10110	4.3
231.13829	7.5
233.13242	2.9
236.12013	3.0
237.12570	3.5
237.16328	12.4
239.14334	2.1
241.12192	4.2
241.15875	10.9
243.10146	4.2
243.13910	2.0
245.15384	27.3
251.14297	7.1
255.13904	2.2
255.17374	4.6
261.08289	2.0
265.15845	10.7
267.13763	4.9
267.17557	2.5
269.12265	2.8
269.15338	17.7
271.13345	6.4
273.14862	3.0
273.18317	3.8
283.16867	25.2
284.17249	2.2
285.14749	6.9
287.13242	2.9
287.16315	14.8
290.91315	2.2
293.15366	5.8
301.14423	7.1
301.17892	42.7
301.21286	3.7
303.15787	2.6
311.16373	23.7
319.18976	6.8
329.17447	83.6
330.17783	3.7
347.18509	24.0
361.20041	6.0
371.18399	6.2
389.19586	21.8
400.84085	6.1
407.20587	5.8
449.21359	2.6
526.26483	15.1
526.33405	3.1
526.84589	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
67.05496	0.5
70.93951	0.3
78.03452	1.0
79.05477	0.4
80.05011	4.0
81.07050	0.3
89.06013	0.2
93.07031	0.5
95.08582	0.7
96.04488	2.8
97.02906	0.2
97.27486	0.2
105.07026	0.4
106.02911	1.2
107.08578	0.3
109.10168	0.2
119.08549	0.5
124.03938	100.0
125.04263	1.4
131.08566	0.3
142.07774	0.3
143.08647	0.4
143.09836	0.2
145.10103	0.6
147.11681	0.2
155.06953	0.3
156.09207	0.2
157.10120	0.5
159.11656	0.8
165.07056	0.2
169.10152	0.3
170.10899	0.3
171.11655	0.7
173.13333	0.4
181.10080	0.8
183.11707	0.3
185.13246	0.8
186.14030	0.2
193.10114	0.3
195.11716	1.0
197.13226	0.4
199.14792	0.5
209.13258	0.5
213.09045	0.2
213.16333	0.3
235.14830	0.3
237.16344	1.8
241.12143	0.4
251.17969	0.3
297.18503	0.7
315.19492	6.5
316.19922	0.4
325.84903	0.2
456.23935	0.3
526.28113	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	526.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
67.05496	0.5
70.93951	0.3
78.03452	1.0
79.05477	0.4
80.05011	4.0
81.07050	0.3
89.06013	0.2
93.07031	0.5
95.08582	0.7
96.04488	2.8
97.02906	0.2
97.27486	0.2
105.07026	0.4
106.02911	1.2
107.08578	0.3
109.10168	0.2
119.08549	0.5
124.03938	100.0
125.04263	1.4
131.08566	0.3
142.07774	0.3
143.08647	0.4
143.09836	0.2
145.10103	0.6
147.11681	0.2
155.06953	0.3
156.09207	0.2
157.10120	0.5
159.11656	0.8
165.07056	0.2
169.10152	0.3
170.10899	0.3
171.11655	0.7
173.13333	0.4
181.10080	0.8
183.11707	0.3
185.13246	0.8
186.14030	0.2
193.10114	0.3
195.11716	1.0
197.13226	0.4
199.14792	0.5
209.13258	0.5
213.09045	0.2
213.16333	0.3
235.14830	0.3
237.16344	1.8
241.12143	0.4
251.17969	0.3
297.18503	0.7
315.19492	6.5
316.19922	0.4
325.84903	0.2
456.23935	0.3
526.28113	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	526.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.9
57.03430	15.4
58.06614	1.8
59.04998	5.1
61.04192	1.7
67.05497	9.0
69.03425	42.3
69.07063	11.8
70.06583	2.5
71.01356	1.8
71.04995	4.6
73.02910	5.6
77.99677	1.9
79.05491	7.8
81.03411	5.4
81.07050	34.7
83.04973	5.5
83.08624	10.5
85.02897	67.3
85.03418	4.1
85.06532	4.2
87.00832	6.6
87.04459	31.0
88.03984	2.9
89.06017	16.0
91.05465	9.4
92.03442	2.1
93.07053	9.6
94.06557	3.0
95.04960	2.6
95.08594	39.8
95.09212	2.3
97.02892	39.3
97.06544	6.9
97.10165	3.1
99.03271	3.6
99.08103	6.7
105.01852	3.0
105.07014	12.4
107.08590	7.8
109.02920	2.0
109.06519	2.7
109.10138	2.8
111.08112	2.1
113.09632	3.7
115.03925	38.7
119.08587	20.2
121.02846	2.6
121.04556	9.8
121.10164	6.6
123.08041	3.9
127.01546	15.8
127.03901	4.9
133.04961	30.8
133.08627	6.1
133.10100	13.8
135.11685	8.7
137.13223	11.3
138.05492	48.4
139.01395	2.6
140.07060	5.5
143.05830	5.1
145.04980	5.9
149.13266	2.4
150.07596	9.0
153.03096	21.3
161.13249	66.6
165.07150	2.1
167.14201	2.4
172.03932	2.7
179.14287	100.0
197.05846	6.0
197.15346	69.3
201.03949	7.8
215.16411	28.2
216.16603	2.1
219.04984	21.2
237.10257	4.6
251.11801	2.4
265.09744	8.5
267.11270	4.5
273.19757	1.8
279.11319	4.4
289.05270	2.0
293.09265	4.8
294.09839	2.1
295.10770	6.8
297.07520	12.1
301.13898	1.8
313.11765	6.6
313.46048	2.2
325.11716	7.0
335.10309	4.1
341.19461	1.9
345.14240	2.3
353.11276	23.2
441.36768	1.9
482.24466	5.8
494.19147	18.6
509.23758	3.2
526.23840	26.8
526.42212	2.6
527.21118	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	526.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.05503	9.4
56.77902	3.0
57.89867	3.1
64.90222	3.2
67.05472	8.9
68.86652	3.1
69.03426	2.9
69.07047	4.2
69.40163	5.4
69.40553	11.5
71.04972	6.2
79.05476	14.3
81.07042	12.0
81.08201	2.9
83.04974	16.6
83.49157	3.4
85.06520	8.0
89.32624	3.2
91.05464	42.3
93.07034	15.0
95.04964	26.0
95.08606	3.8
97.06498	5.4
103.05479	6.1
105.06354	4.8
105.07020	66.5
107.04931	4.6
107.08573	9.3
109.06477	6.8
115.05455	9.7
117.07011	64.4
119.08577	20.0
121.06500	5.7
123.08062	5.8
124.03973	3.5
128.06207	16.4
129.07008	44.9
130.07780	15.7
131.08565	50.6
133.06500	9.7
133.10112	26.4
135.08014	4.2
137.02646	3.1
141.06964	7.9
142.07745	14.4
143.08554	51.4
144.09268	4.1
145.06400	6.4
145.10115	80.2
147.08023	10.5
147.11673	5.6
149.09544	7.8
154.07741	4.7
155.08522	16.9
156.09309	9.2
157.10114	31.4
159.08086	5.7
159.11674	11.7
161.09608	19.5
161.13309	3.8
163.11110	5.9
165.07056	3.5
169.10115	3.8
171.08090	4.5
171.11687	16.7
173.09592	100.0
173.13145	3.5
174.10023	3.5
175.11214	7.7
175.14836	4.8
185.13199	35.5
187.11090	6.8
189.12778	7.5
191.10641	15.6
193.04980	4.8
195.11667	7.7
201.12704	4.6
203.14304	18.7
204.42403	3.0
213.12723	29.4
231.13734	57.1
233.11574	3.8
237.07570	10.1
249.14748	8.5
299.47672	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	526.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	7.1
79.05487	4.8
83.99194	0.7
88.41503	0.8
89.06024	4.0
89.96421	0.7
95.04941	2.0
103.05471	3.6
103.07569	5.9
105.07025	100.0
106.07372	1.0
121.06509	2.3
133.08586	3.7
176.61302	0.7
177.11209	1.0
197.11731	27.6
197.13560	1.4
209.13263	2.0
251.14346	1.1
301.17972	4.8
327.94305	1.0
403.22705	1.2
441.19345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	13.7
57.03438	8.1
57.07064	2.7
59.04995	4.2
67.05502	100.0
68.55872	1.5
69.07079	12.9
70.81857	2.4
79.05489	9.2
81.07056	38.3
83.08614	14.5
85.06540	1.9
89.06013	9.5
91.05491	8.9
93.07041	11.5
95.08598	24.9
96.27007	1.6
97.10172	3.5
104.74937	1.6
105.07005	5.1
107.08575	5.6
109.10151	67.4
109.10896	3.5
111.08066	2.6
111.78101	1.7
119.08555	7.8
121.10141	4.0
123.11669	4.0
133.08611	7.1
133.10109	3.0
137.09642	2.4
137.13297	2.1
147.11674	2.5
155.10690	4.0
163.14778	2.6
173.11726	19.9
229.14333	86.7
230.14639	2.4
245.22615	2.3
263.23709	4.2
327.20096	5.1
337.27368	74.8
353.86121	1.7
404.49646	1.7
491.37296	51.1
492.37643	2.2
495.46469	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	526.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58469	2.1
55.05516	2.3
57.07076	56.5
60.82952	2.3
65.71711	2.1
69.07062	6.4
69.60052	8.6
71.08627	48.9
73.06558	3.8
81.07111	2.4
83.08594	4.4
85.10181	32.2
87.04451	2.9
89.06026	100.0
99.11718	6.6
99.90695	2.8
107.07069	3.0
111.11723	4.1
113.13303	4.8
117.09132	3.7
131.04886	11.8
133.08595	63.0
138.01848	9.3
166.01343	11.1
169.08563	2.1
177.11220	23.8
182.96288	2.3
184.02386	3.8
221.13852	5.5
225.05396	5.1
239.14999	3.8
242.08067	3.8
256.26257	4.8
270.07642	9.9
283.17514	3.3
288.99371	3.3
308.93878	2.2
315.29001	3.6
327.20126	18.5
359.15128	2.6
509.40604	18.0
526.15149	4.2
526.41998	3.3
551.48474	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	527.1582
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
52.80588	0.4
70.87550	0.4
122.43420	0.4
139.12451	0.4
161.36818	0.4
185.04202	2.0
203.05205	5.6
253.02948	0.6
275.07236	0.5
290.25778	0.4
305.08383	1.6
324.94879	0.4
347.09506	4.6
365.10532	75.8
366.10928	2.5
430.01767	0.4
453.51083	0.4
494.50366	0.5
521.17493	0.5
527.15814	100.0
528.16119	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	527.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88201	0.4
58.72384	0.4
71.23537	0.7
77.63343	0.4
143.01892	0.7
155.01871	2.0
161.02942	0.5
173.03004	3.1
185.04254	1.1
203.05284	7.7
235.05804	0.5
244.52983	0.5
245.05086	1.6
305.07901	2.0
325.66425	0.4
332.32919	0.4
347.09555	2.1
365.10559	93.2
366.10931	2.8
407.10382	2.1
527.15839	100.0
528.16394	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
54.67510	0.8
55.05508	14.5
55.56024	0.7
63.01004	0.9
65.03936	1.8
66.35146	0.8
67.05499	4.6
69.03423	43.8
69.07097	1.2
74.95779	0.7
79.05483	3.8
81.03410	6.3
81.07050	3.4
83.04974	45.6
91.05478	5.9
93.07033	3.6
95.04964	5.6
95.08606	3.1
96.37476	0.8
105.07045	5.9
107.08600	1.9
109.06499	2.4
111.04433	100.0
112.04787	1.2
113.06020	1.0
117.07003	4.3
119.08559	6.4
121.02861	23.2
121.06490	0.9
121.10136	1.9
124.03947	1.0
128.06242	2.3
129.06993	3.3
130.07762	1.6
131.08542	8.4
133.06447	1.2
133.10115	2.4
135.08098	1.9
139.03889	11.0
141.06993	1.4
142.07794	2.9
142.47835	0.7
143.08566	5.0
144.38852	0.8
145.06496	1.6
145.10120	8.0
147.08038	1.1
147.11676	1.0
149.09633	1.0
153.07050	1.0
155.08548	4.6
156.09343	2.1
157.10109	5.0
158.10910	1.0
159.08098	1.6
159.11646	4.0
161.09558	1.1
161.13271	1.2
163.11235	0.9
165.07024	1.8
165.09114	3.4
166.07706	1.0
167.08551	2.1
168.09323	1.6
169.10121	3.4
171.08194	0.8
171.11639	4.8
173.09641	1.6
173.13235	13.6
175.14810	1.3
178.07814	0.9
179.08629	2.9
180.57109	0.8
181.10115	2.9
182.10963	1.3
183.11656	5.0
185.09613	0.9
185.13243	2.2
189.12727	1.1
191.08617	1.2
191.10678	2.4
191.14337	1.0
192.09253	1.0
193.10115	1.7
195.11688	3.2
197.09483	0.8
197.13286	2.1
199.11156	1.7
201.12761	3.0
203.14293	1.6
205.10054	1.2
207.11674	1.9
209.09550	0.8
209.13261	2.3
217.10239	1.7
219.11850	1.0
219.13820	1.9
221.13284	1.8
225.12822	1.2
229.12372	1.1
232.12486	1.5
235.14828	0.8
237.16547	0.9
241.12251	1.1
249.07614	2.3
265.15909	3.0
283.16812	2.2
293.15228	2.0
296.59222	0.8
311.16409	3.6
315.19836	1.4
316.19806	1.9
329.17395	3.1
347.18411	1.6
360.06546	0.8
405.76785	0.9
449.19583	1.4
465.26501	0.8
509.29532	1.9
527.22473	2.5
527.29803	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25824	0.5
59.40084	0.6
60.73726	0.6
74.93744	0.6
81.03417	5.4
81.07055	1.2
89.06036	1.6
91.05487	1.2
93.07043	1.0
105.07038	0.6
106.02930	1.0
107.01308	0.6
107.08630	1.0
109.02878	1.3
117.07010	0.6
119.08575	1.1
124.03942	14.3
127.03985	1.1
131.08569	0.7
138.05519	2.8
145.10168	0.7
147.04367	0.8
171.11681	0.7
173.13344	1.8
183.11746	0.6
203.05272	1.0
220.83868	0.6
229.18698	0.6
242.56770	0.6
245.06276	4.5
261.18304	2.3
279.16299	1.0
279.19284	5.1
289.05292	6.4
351.21378	2.0
441.24762	7.7
465.24637	1.6
471.08197	0.7
483.25696	39.2
484.26062	1.4
509.23721	2.0
527.24670	100.0
528.24951	5.2
539.23547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67338	0.6
60.51899	0.5
61.70033	0.5
67.05509	0.5
69.03441	0.7
69.43794	1.0
69.44201	1.8
79.05462	0.7
81.03417	1.4
81.07068	0.9
83.04967	0.8
85.02900	2.7
87.00835	0.6
91.05482	0.8
95.04942	0.7
97.02892	1.7
105.07027	0.6
107.08527	0.5
119.04985	0.6
121.02810	0.6
124.03923	4.3
131.08597	0.6
147.04329	2.7
167.03023	0.5
201.03891	0.6
203.05298	2.1
219.05054	0.7
227.05179	0.9
245.06302	6.7
261.18222	3.7
271.04187	1.0
279.19241	6.8
280.19415	0.6
289.05255	7.0
310.23990	0.6
351.21393	1.5
403.05176	0.7
423.23730	0.8
441.24576	6.6
465.24634	4.0
466.25580	0.6
483.25653	24.2
484.25903	1.0
500.67673	0.6
509.23605	17.9
510.24234	1.1
527.24634	100.0
528.24835	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	527.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61206	0.5
67.05502	1.0
69.03426	1.2
69.07063	4.2
70.07397	0.7
79.05487	0.8
81.03418	2.9
81.07059	1.2
89.06036	1.2
91.05482	1.4
93.07035	1.4
95.04993	0.8
95.08588	0.6
97.02913	1.1
101.02929	0.6
105.07027	0.8
106.02928	0.9
107.08652	0.6
109.02924	0.8
109.06538	0.7
109.10168	0.5
121.02891	1.3
124.03949	7.1
127.01598	1.1
127.03915	1.1
131.08549	0.9
137.02335	0.6
138.05530	2.2
139.01526	0.9
140.07060	3.9
141.07468	1.4
145.10135	0.7
147.04439	2.1
157.10175	0.6
159.11726	1.1
163.03935	0.6
174.05504	0.6
179.08669	0.7
191.08806	0.7
202.44312	0.6
203.05315	0.7
227.04979	0.6
245.06331	4.4
255.11363	0.7
261.18353	2.4
266.10062	0.6
267.11227	1.4
268.11685	1.1
273.18649	0.7
279.16306	1.1
279.19205	5.5
289.05322	4.8
295.10760	1.1
296.11221	1.9
313.11829	1.4
314.12302	1.0
326.12146	0.5
331.19025	0.7
354.11459	0.9
423.23962	0.9
441.24661	6.3
449.19315	0.7
454.19354	1.3
465.24655	4.0
467.20447	1.3
483.25763	23.6
484.26147	1.1
494.19199	0.6
495.19571	11.7
509.23511	18.4
527.24707	100.0
528.25079	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.7
55.01868	0.9
55.05507	1.7
57.03436	1.8
59.04966	0.3
60.35627	0.2
61.02926	2.2
65.03895	0.2
67.05455	0.7
69.03426	8.0
69.07065	0.8
70.18071	0.2
71.01319	0.3
71.04944	0.8
71.42261	0.2
71.63923	0.2
72.86639	0.2
73.02914	2.0
77.03893	0.2
79.05446	0.3
81.03418	2.1
81.07011	0.4
83.01311	0.3
83.04928	0.7
83.08621	1.2
85.02898	9.5
87.04462	1.7
91.03925	0.4
91.05428	0.3
93.07014	0.4
95.04895	0.3
95.08592	2.1
97.02278	0.3
97.02888	4.5
97.10123	0.5
99.04452	1.0
99.08039	0.3
101.02349	0.4
103.05440	0.2
105.06980	0.4
107.04917	0.3
107.08557	0.3
109.02867	2.0
109.10115	0.5
111.08050	0.3
112.03954	0.4
115.03870	0.2
117.07002	0.2
119.04840	0.3
119.08599	0.2
121.02798	0.2
121.06469	0.2
121.10149	1.1
123.04374	0.7
127.03178	0.2
127.03906	1.9
131.04903	0.2
131.08542	0.2
133.06419	0.2
135.04350	0.5
135.08005	0.3
137.05898	0.2
138.05432	0.5
143.08554	0.3
145.04950	0.8
145.10123	0.3
147.04414	0.3
147.08009	0.3
149.05978	0.8
149.09610	0.2
151.03912	1.4
152.04185	0.4
159.08008	0.5
161.05951	0.6
161.09602	0.2
163.03825	0.3
165.01741	0.3
165.05435	0.6
165.06786	0.2
167.07130	0.2
167.08542	0.2
169.06451	0.2
169.10031	0.3
171.08000	0.5
173.05907	0.4
173.09550	0.6
175.07452	0.4
177.05452	1.5
177.09090	0.4
179.03401	2.6
179.06960	0.8
181.04932	0.9
181.10017	0.2
184.05943	0.2
185.06093	0.3
185.09595	0.7
187.03877	0.6
187.05923	0.2
187.07497	1.4
187.11176	0.2
189.05417	0.4
189.09062	0.7
191.03337	0.3
191.06990	0.3
193.04930	2.4
193.08556	0.5
197.09619	1.5
199.07507	0.7
199.11208	0.4
201.05354	0.4
201.09079	1.0
203.07007	1.9
205.04939	6.3
205.08395	1.1
207.06479	2.5
209.00761	0.3
209.08037	0.5
211.11203	0.3
213.09053	1.4
215.07033	1.6
215.10570	0.4
216.07594	0.3
217.04916	0.6
217.08588	2.2
218.09306	0.2
219.06529	1.8
219.10115	1.0
221.07953	0.4
222.72383	0.2
223.11113	0.3
225.09088	1.9
227.06935	0.5
227.10625	1.1
228.07751	0.3
229.08586	1.3
230.09294	0.6
231.02768	0.2
231.06519	0.7
231.10133	2.1
232.07265	0.3
233.08060	14.3
234.08568	0.9
235.09540	1.2
237.09033	0.3
239.10649	0.3
240.11432	0.2
241.08597	0.6
241.12206	0.3
243.10165	1.8
244.07199	0.2
244.10895	0.7
245.08058	4.2
245.11673	0.6
246.08849	1.1
247.09634	2.1
251.10741	0.4
253.08563	0.3
255.10069	0.5
255.13922	0.3
257.11667	0.3
259.09689	3.2
259.12634	0.3
260.10254	0.3
261.11188	1.3
263.10693	0.2
265.15787	0.6
268.11035	0.4
269.11673	0.4
269.15448	0.2
270.12335	0.2
271.09634	0.3
271.13318	0.2
273.11252	0.8
278.12915	0.3
282.12512	0.2
283.16879	0.5
285.11353	0.4
285.14740	0.3
286.12030	0.5
287.12769	0.3
287.16434	0.9
293.15387	0.8
296.14044	0.9
299.12659	0.2
301.14294	1.9
311.16354	1.4
314.15121	0.7
319.15414	0.6
329.17429	10.9
330.17822	0.5
347.18500	24.9
348.18790	1.1
359.33304	0.2
365.19565	6.4
366.19684	0.2
430.01474	0.2
509.23785	100.0
510.24078	5.2
527.24829	7.4
528.25061	0.4
538.24634	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	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.0
51.02364	2.1
53.03941	4.4
54.98190	1.2
55.01864	3.1
55.05256	1.7
55.05509	30.7
56.87347	1.0
57.03429	3.5
57.07069	4.3
59.04988	1.5
60.69362	1.0
65.03923	6.0
67.05501	78.4
69.03425	3.2
69.07066	22.8
69.24527	5.3
71.04993	4.2
71.08637	1.6
73.06564	2.0
77.03933	1.6
79.05491	84.8
81.03423	13.9
81.07053	71.6
83.04981	23.7
83.08628	9.8
85.06528	2.9
87.04477	8.9
89.06030	33.2
90.06365	4.8
91.05478	92.2
92.05836	1.3
93.07042	75.9
95.04968	23.2
95.08604	42.4
95.09215	2.1
97.02853	1.3
97.06515	4.9
97.10159	2.1
99.08118	1.7
103.05478	3.6
105.04482	6.6
105.07026	63.7
106.07365	1.8
107.04956	13.3
107.07071	1.1
107.08592	25.2
109.06525	5.3
109.10148	14.8
111.08081	2.7
115.05420	2.9
116.06279	1.1
117.07007	12.5
119.08578	34.9
121.06520	3.1
121.10136	24.8
123.08057	1.6
123.11728	2.6
123.23009	1.1
125.09607	1.6
127.07586	1.7
128.06219	2.5
128.80984	1.2
129.07021	13.2
131.08557	27.0
133.06487	3.1
133.08606	21.9
133.10135	35.8
134.08884	3.0
135.11681	10.7
139.11195	1.5
141.07016	2.4
142.07796	4.7
143.08533	8.1
145.10089	13.7
147.08046	3.4
147.11670	17.8
149.09653	3.1
149.13237	5.9
155.08553	6.1
157.10124	21.5
159.11707	7.1
160.71587	1.0
161.09534	1.1
161.13271	4.3
163.11162	3.0
163.14824	2.1
165.12743	2.2
167.08591	1.3
169.10130	3.3
171.11671	4.9
173.13255	7.0
175.11189	11.3
177.11281	5.9
178.11560	3.0
181.10124	2.5
183.11696	3.5
185.13268	4.1
187.14815	1.3
193.12210	21.3
195.11732	2.4
197.13257	4.2
197.14893	1.1
199.14835	1.9
209.13277	1.8
210.26382	1.1
211.13316	2.9
213.16457	1.4
221.13478	1.1
223.14943	1.2
225.16373	1.3
237.16371	1.2
243.21021	1.3
259.20575	1.3
261.22238	4.8
267.15958	3.3
295.01495	1.2
317.24945	2.7
327.20062	8.3
328.20447	6.3
335.25787	3.7
417.31824	1.8
435.32852	5.5
447.29346	5.9
453.33783	1.7
509.36386	3.3
527.37305	100.0
528.37604	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	528.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93688	0.6
69.11876	4.1
70.06606	0.6
71.72633	0.5
78.01088	0.7
86.09730	0.7
103.05466	2.6
104.10724	2.6
121.83080	0.7
131.04948	4.1
136.79280	0.7
185.00909	0.7
218.49269	0.5
262.63364	0.6
263.95059	0.6
278.45377	0.5
293.06558	3.2
311.37497	0.7
318.14514	0.6
319.97977	1.4
337.99219	1.2
340.05792	5.2
366.09332	0.7
415.82855	0.6
424.04236	47.5
425.04282	1.4
442.05197	2.2
469.23337	1.1
528.10486	100.0
529.10901	6.6
533.20319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67413	0.3
59.52329	0.4
69.82941	0.4
69.83274	0.8
84.40710	0.3
89.05974	1.6
89.06455	0.3
97.08234	0.3
122.07735	0.3
131.00081	0.3
133.08517	0.6
143.03154	0.3
172.52380	0.3
179.33066	0.4
196.34886	0.4
319.98016	9.3
320.98291	0.4
323.39355	0.4
413.08740	0.4
424.04254	100.0
425.04477	3.5
442.05338	6.7
465.06927	1.6
504.04401	0.4
528.10516	15.1
529.11163	1.6
530.65906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66527	1.3
65.03926	2.3
69.03405	2.5
81.03401	5.5
85.02885	7.9
95.04931	1.5
97.02866	3.0
105.01853	1.7
109.02863	3.4
110.03679	1.6
121.84317	1.4
125.06011	1.4
127.03899	3.2
138.03079	1.3
140.04654	4.5
151.03819	1.5
153.05476	5.2
171.06523	4.4
175.11816	1.4
181.04939	100.0
182.05396	1.8
199.05983	5.0
325.09180	4.7
343.10196	5.6
467.70273	2.0
479.70322	1.5
510.23785	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	528.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13055	0.6
53.03937	5.0
54.88298	0.7
55.01865	5.1
55.05503	0.8
55.53007	0.6
57.03415	1.1
61.02920	1.0
62.08815	0.7
67.01854	1.1
69.03423	10.5
70.06584	14.2
70.23419	1.8
71.04996	4.6
72.08154	4.4
73.02905	0.9
81.03409	27.2
85.02904	4.5
86.09714	5.1
87.00838	0.8
90.11142	0.7
97.02271	1.0
97.02885	15.0
99.04446	26.8
103.03923	1.1
105.01873	0.7
109.02869	73.4
110.03255	1.1
115.03918	12.4
127.03904	100.0
128.04283	1.0
145.04910	4.2
157.09727	1.0
167.51494	0.6
169.04948	12.1
185.09142	1.3
185.16481	1.4
187.06001	36.7
193.34666	0.6
203.10231	0.7
205.07076	2.5
213.15903	0.7
229.07051	12.4
229.15462	5.0
247.08110	28.6
316.18710	1.8
382.23749	0.7
528.28241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09749	0.4
57.05459	0.3
60.05648	22.4
69.03408	0.5
69.14482	2.9
70.06590	46.1
71.04990	0.7
71.06927	0.5
72.08159	3.7
73.06412	1.4
81.03418	0.5
85.02899	1.2
86.06065	0.4
88.07642	0.6
96.04487	0.5
97.02858	0.5
97.07685	0.6
100.07600	0.5
109.02850	0.4
110.09678	1.7
111.04453	0.6
112.08723	4.3
114.10274	2.7
116.07088	18.3
127.03883	0.6
130.09770	10.9
131.04889	0.7
131.12915	1.4
139.41579	0.4
151.03911	1.3
155.11743	0.7
157.10815	1.4
158.09258	7.2
158.10513	0.8
175.11897	100.0
176.12312	0.7
195.10213	0.4
214.16631	0.9
232.02554	0.4
257.67993	0.5
258.15601	1.8
384.17896	0.8
528.17670	2.9
539.54529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47783	0.5
56.05030	0.5
56.20642	0.4
60.05647	22.8
65.64375	0.5
67.05483	0.7
68.05021	0.7
68.99804	0.4
69.44706	0.9
69.45111	1.5
70.06589	53.2
71.04985	1.5
72.08159	4.3
73.06396	1.8
76.66197	0.5
79.05495	0.4
81.03405	1.1
84.04481	1.4
85.02888	0.8
88.07642	0.8
95.04958	0.5
97.07627	0.7
100.26520	0.4
102.99870	0.4
103.05450	1.0
107.04980	0.7
110.09663	2.2
111.04386	0.5
112.08736	4.3
114.05495	0.5
114.10287	2.5
116.07082	17.6
118.65828	0.4
128.08244	0.8
130.04955	0.8
130.09756	14.1
131.04897	2.1
131.12875	1.2
147.04401	0.6
151.03912	1.7
155.11809	0.7
157.10849	1.5
158.09230	6.4
167.07121	0.5
175.11899	100.0
176.12149	1.3
176.86240	0.5
181.04956	0.7
197.09447	0.4
204.03053	0.5
214.16594	0.6
225.09386	0.5
232.02406	0.5
256.08179	0.8
257.38913	0.5
258.15619	1.5
287.05557	0.5
324.07291	0.8
350.06799	0.6
384.17883	0.9
425.12170	0.6
475.10187	0.6
485.16449	0.6
496.13342	2.0
510.19858	0.5
528.17328	2.6
529.10406	0.5
529.17987	3.0
544.84723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01857	1.0
55.05498	1.2
57.03435	0.4
59.05008	0.7
67.05500	2.0
69.03424	2.8
69.07053	1.2
69.28551	0.6
69.28947	1.6
71.04985	1.5
73.02909	0.6
78.03459	3.1
79.05483	2.9
80.05000	3.1
81.03418	8.5
81.07060	2.1
83.04979	2.5
85.02931	0.7
87.04462	3.4
89.06020	1.3
91.05479	3.5
93.07062	2.1
95.04977	1.9
95.08598	1.7
96.04510	2.7
97.02910	0.9
97.06528	2.6
98.23479	0.7
99.04450	2.6
105.07028	4.2
106.02915	8.6
107.04972	1.0
107.08578	1.6
109.02876	3.2
109.06537	0.8
111.04438	1.6
113.06007	0.6
113.89888	0.4
115.05428	0.6
117.07049	3.0
119.04912	0.6
119.08553	4.1
121.02935	0.6
121.06509	0.8
121.10103	0.9
123.04430	0.5
123.08043	0.9
124.03949	100.0
125.04275	1.1
125.05952	0.7
127.01508	0.4
127.03902	4.0
128.06187	1.0
129.05486	0.8
129.06985	2.1
130.07866	0.4
131.08577	4.8
132.08859	0.4
133.06516	0.6
133.08620	0.6
133.10133	1.4
135.04404	0.8
135.08049	1.4
138.05502	2.6
139.05833	0.7
141.05464	0.9
141.06967	1.3
142.07726	0.9
143.08545	3.1
144.09273	0.5
145.06461	0.7
145.10114	4.6
147.04424	0.5
147.07988	1.2
147.11665	0.5
149.05966	0.6
153.05508	0.5
155.08537	2.9
156.09314	1.5
157.10135	3.3
158.10854	0.8
159.08002	0.6
159.11690	2.4
161.09653	1.2
161.13335	0.4
163.03929	0.4
163.07509	0.5
163.11220	0.7
165.07085	0.8
166.07797	0.6
167.08524	1.1
168.09398	1.1
169.10109	3.2
170.10950	0.7
171.08080	0.6
171.11702	3.5
173.09567	0.6
173.13242	7.2
175.11099	1.1
177.11333	0.4
178.07886	0.6
179.08597	1.3
180.09303	0.4
181.08578	1.5
181.10091	1.6
182.10889	0.9
183.08067	0.8
183.11670	2.5
185.08109	0.4
185.09621	0.7
185.13272	0.8
187.11130	0.7
189.12701	1.4
191.10681	0.7
192.09279	0.5
193.10143	2.1
194.10886	0.7
195.08067	0.5
195.11688	1.6
197.09663	1.2
197.13257	1.5
199.11195	0.6
201.12669	2.4
203.10870	0.5
205.10168	0.9
206.08105	0.5
206.10916	1.4
207.11716	1.5
209.09616	0.5
209.13277	0.7
211.11241	1.0
211.14746	0.6
213.09151	0.5
217.12300	0.5
219.11786	0.7
219.13785	1.0
220.12495	0.5
221.13229	2.8
223.11205	0.6
223.14743	0.5
225.12732	0.7
235.14801	1.2
237.12775	1.1
243.13899	0.7
247.05589	0.4
249.12704	0.6
250.07034	2.3
253.16037	0.7
263.14291	1.2
265.07098	0.5
265.12537	0.4
271.13379	0.8
281.15460	1.5
289.14423	1.3
299.16364	1.2
309.14832	1.0
317.17581	0.5
327.15878	1.6
345.16907	2.1
404.18335	0.7
405.19043	6.4
432.17892	0.5
450.18970	1.1
456.63159	0.4
468.20096	2.9
523.43982	0.4
528.22388	12.2
529.22803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55090	0.3
51.02381	0.5
52.31472	0.3
53.03946	2.4
55.01851	0.4
55.05508	0.5
60.83685	0.3
65.03941	0.6
67.05486	1.5
69.03426	3.0
69.07057	0.6
69.72195	0.3
71.04988	0.6
74.67580	0.3
78.03449	2.5
79.05499	1.9
80.05016	3.0
81.03412	40.1
81.07041	1.3
82.03733	0.4
83.04974	1.1
85.02893	0.5
91.05477	4.3
93.07035	1.9
95.04992	1.5
95.08604	1.2
96.03956	0.3
96.04488	2.0
97.02884	1.4
97.06531	0.7
99.04449	1.2
103.05452	0.6
105.07027	4.7
106.02920	4.6
107.04932	0.5
107.08591	2.5
109.02874	12.7
109.06496	0.7
111.04451	1.7
113.06064	0.3
115.05404	0.5
116.06257	0.4
117.07027	4.1
119.04926	0.6
119.08581	3.3
121.06518	0.7
121.10165	0.5
123.08065	0.6
124.03944	100.0
125.04272	1.2
125.06017	0.3
127.03902	5.9
128.06186	1.7
129.07005	2.4
130.07777	0.7
131.08556	5.8
133.06482	0.9
133.10147	1.6
135.08043	3.1
141.06976	1.4
142.07813	1.7
143.08548	3.7
144.09334	0.5
145.06467	0.8
145.10110	4.5
147.08018	1.3
147.11676	0.5
149.09637	0.3
149.64542	0.3
153.05457	0.3
153.06895	0.5
154.07782	0.7
155.08543	1.9
156.09334	2.3
157.06506	0.4
157.10106	3.4
158.10820	0.7
159.07986	0.8
159.11690	2.5
161.09599	0.8
163.07547	0.5
165.06958	1.1
167.07141	0.4
167.08551	1.2
168.09328	1.1
169.06522	0.3
169.10089	1.7
170.10817	0.6
171.08035	1.0
171.11662	4.6
173.09586	1.1
173.13245	10.4
175.11159	0.7
175.14799	0.6
178.07771	0.4
179.08502	1.1
180.09247	0.5
181.08620	0.4
181.10118	0.7
183.07980	0.7
183.11636	1.5
185.09563	0.4
185.13216	2.0
187.11143	0.5
188.46465	0.3
189.12709	1.7
191.08794	0.3
191.10658	0.7
191.14307	0.5
192.09378	0.6
193.10143	1.0
195.11665	0.9
196.08748	0.4
197.09575	0.6
197.13293	0.4
199.11147	1.1
201.12814	1.6
203.14290	1.0
205.10114	0.5
207.11646	0.7
209.13249	0.4
211.11185	0.6
213.12717	0.7
215.10664	0.4
217.12231	0.6
219.11780	0.6
219.13766	2.4
220.12302	0.5
221.13271	0.4
223.11169	0.3
225.12619	0.5
229.12219	0.3
231.13795	0.5
235.10931	0.4
237.12679	0.4
250.07126	2.0
253.15875	0.7
259.13400	0.6
263.14297	0.9
281.15256	0.8
285.11011	0.4
291.13727	0.3
309.14844	0.8
327.15790	0.6
345.16776	0.6
404.18420	0.4
422.19571	0.4
429.06622	0.3
450.19144	0.9
468.19925	1.1
486.20950	0.8
517.55420	0.3
528.21973	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	528.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03934	2.5
55.05502	1.3
57.03405	0.7
67.05499	1.4
69.03425	3.1
69.07056	1.0
69.82272	1.0
69.82604	1.5
71.04976	1.9
78.03449	7.8
79.05484	2.2
80.04999	2.6
81.03413	11.2
81.07050	2.6
83.04965	2.8
84.17389	0.6
90.64194	0.7
91.05464	5.0
93.07023	2.2
95.04952	3.2
95.08595	1.5
96.04478	3.5
97.02882	0.8
97.06535	1.4
98.23399	1.1
99.04455	5.7
103.05416	0.7
105.07037	5.6
106.02184	1.0
106.02911	21.2
107.08558	2.3
109.02870	1.8
109.06522	0.9
111.04425	3.0
115.05447	1.3
117.07002	3.2
118.68459	0.8
119.04921	1.6
119.08572	4.4
121.10136	0.8
124.03943	100.0
125.04294	0.8
127.03905	3.2
128.06201	1.7
129.07007	3.0
131.08548	8.1
133.06454	0.9
133.10063	1.1
135.07994	1.4
141.06978	2.2
142.07761	1.4
143.08556	3.5
145.06461	0.7
145.10123	7.8
147.04404	3.2
147.08026	0.9
147.11736	0.7
148.04713	1.3
153.06993	1.2
155.08553	2.7
156.09338	0.9
157.10138	2.9
158.10818	0.8
159.08069	1.0
159.11685	2.6
163.11203	0.9
165.07010	1.1
166.07816	1.0
167.08539	1.9
169.10104	2.5
171.08046	0.9
171.11647	2.9
173.09642	1.8
173.13255	11.2
179.08560	1.5
180.09268	0.9
181.08614	1.0
181.10115	2.2
182.10835	0.8
183.11687	2.6
185.09642	1.1
185.13216	1.0
187.14691	0.7
189.12694	3.6
191.10675	1.7
191.14201	0.9
192.09390	1.0
193.10005	1.5
195.11713	2.3
197.09659	0.9
197.13274	2.0
199.11147	1.3
201.12732	2.8
205.10170	1.1
207.11714	1.4
213.12700	0.9
219.11929	0.9
219.13861	3.0
220.12408	0.8
221.13376	1.0
234.07558	0.9
235.14795	1.8
250.07109	8.9
281.15503	1.0
327.15976	2.1
345.17117	0.9
404.18536	1.3
432.18311	0.7
450.19296	1.6
451.19403	0.7
468.20209	2.1
510.20554	1.0
528.22437	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	528.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03942	1.6
55.01847	0.6
55.05513	0.8
57.03424	0.8
65.03926	0.6
66.64799	0.5
67.05508	2.4
69.03426	3.1
69.60329	2.0
69.60668	0.6
71.04977	2.0
78.03454	9.7
79.05498	2.5
80.05016	2.1
81.03413	13.0
81.03893	0.8
81.07043	1.6
83.01315	0.5
83.04985	2.8
85.06560	0.5
87.04463	0.6
91.05480	5.5
93.07034	2.1
95.04958	2.1
95.08597	1.4
96.04480	2.2
97.06522	1.0
99.04459	8.2
100.31541	0.6
105.07029	5.0
106.02909	20.8
107.08574	1.6
109.02901	2.7
109.06471	1.1
109.10163	0.7
111.04433	2.9
115.05419	1.2
117.07023	3.7
119.04914	0.6
119.08572	4.0
121.06510	1.3
121.10072	0.7
124.03946	100.0
125.04288	0.7
127.03916	3.8
128.06233	0.9
129.06990	2.3
130.07777	1.2
131.08557	8.2
133.06468	1.1
133.10135	1.3
135.08061	1.1
136.10576	0.5
138.05467	1.9
141.06993	1.7
142.07773	1.8
143.08569	4.8
145.06496	0.7
145.10110	8.1
147.08049	1.1
147.11684	0.5
150.68134	0.5
153.06976	1.1
155.08554	3.7
156.09326	2.1
157.10133	4.1
158.10930	1.2
158.21254	0.5
159.08095	1.0
159.11670	2.7
161.09624	0.8
163.11186	1.0
165.06985	1.5
167.08585	1.8
168.09349	1.5
169.10159	2.4
171.08002	0.8
171.11649	3.3
173.09685	1.3
173.11835	1.0
173.13257	14.7
175.11212	0.8
178.07709	0.6
179.08559	1.4
180.09383	0.5
181.10112	1.6
182.10916	0.8
183.08015	0.7
183.11659	3.5
185.09624	0.8
185.13274	0.5
187.11218	0.5
189.12711	4.8
191.10652	1.6
191.14294	0.6
192.09325	1.0
193.10136	2.5
194.11023	0.7
195.08084	0.6
195.11703	2.0
197.09625	1.1
197.13260	2.0
201.12766	4.2
205.10081	1.1
206.10794	0.8
207.11761	1.0
209.13264	1.5
211.11179	1.0
213.12791	0.7
215.08771	0.6
215.10793	0.6
217.12241	0.9
219.11798	1.1
219.13763	4.5
220.12515	0.6
221.09592	0.6
221.13327	1.4
223.11176	0.8
234.07587	1.3
235.14832	1.6
237.12816	1.0
249.12726	0.7
250.07085	10.3
250.09621	0.9
253.12065	0.6
253.15804	0.6
263.14240	1.4
281.15332	1.9
299.16446	0.7
301.53735	0.5
309.14706	1.9
327.15900	1.4
341.94360	0.5
404.18600	2.0
406.11493	0.6
422.19598	1.5
432.17871	2.5
438.63898	0.5
450.19235	2.8
466.27142	0.5
468.20142	2.8
486.21347	1.1
510.21228	1.0
528.22260	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	528.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.1
52.01894	0.1
52.03168	0.1
53.03929	0.2
59.85128	0.1
65.31115	0.1
68.05013	0.1
69.68583	0.3
73.93668	0.1
78.03439	0.7
79.04191	0.1
80.05012	4.0
81.03445	0.1
87.00174	0.1
96.03867	0.1
96.04487	3.0
98.22663	0.1
109.79301	0.1
124.03944	100.0
125.04278	1.2
140.03485	0.1
169.10155	0.1
338.29861	0.1
352.24942	0.1
379.80347	0.1
528.22253	4.8
529.22455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
51.02370	0.8
53.03946	2.1
53.65026	0.4
55.01865	0.5
55.05495	1.3
57.03432	0.6
65.03928	0.4
67.05495	1.7
69.03425	4.0
69.07044	0.8
69.90517	0.9
69.90871	0.8
71.04980	2.0
72.04801	0.4
73.54237	0.4
78.03449	7.6
79.05481	2.5
80.05024	2.9
81.03412	19.1
81.07053	1.7
83.04989	2.2
85.02882	0.7
91.05470	4.6
93.07043	2.1
95.04966	1.9
95.08608	1.3
96.04482	3.0
97.02861	1.1
97.06547	1.0
99.04447	5.3
103.05478	0.7
105.07027	6.2
106.02908	16.6
107.04944	0.9
107.08570	2.4
109.02861	5.5
109.06510	0.7
109.10131	0.5
111.04418	2.2
111.08021	0.5
114.17489	0.4
115.05439	1.1
117.07005	4.9
119.04922	0.5
119.05981	0.4
119.08559	4.1
121.06492	1.2
124.03944	100.0
125.04278	1.1
127.03904	4.7
128.06232	1.6
129.07018	2.6
130.07782	1.1
131.08551	8.5
133.06494	1.2
133.10120	1.6
135.08040	1.7
135.11650	0.8
141.06961	1.5
142.07732	1.9
143.08559	4.4
144.09332	0.5
145.06462	0.9
145.10121	8.0
145.97165	0.4
147.04367	0.8
147.08020	0.6
153.06992	1.4
154.07707	0.6
155.08521	2.9
156.09343	2.5
157.10112	3.3
158.10892	1.5
159.08070	0.6
159.11711	2.4
161.09610	1.2
161.13263	0.6
163.11238	0.7
165.06966	1.1
166.07788	0.8
167.08537	2.2
168.09326	1.1
169.10150	2.4
170.10904	0.5
171.08046	0.8
171.11678	3.7
173.09616	1.5
173.13246	12.9
174.13518	0.6
175.11208	0.5
178.07797	0.9
179.08511	1.3
180.09332	0.6
181.08698	0.4
181.10098	1.4
183.08047	0.5
183.11682	2.4
185.09608	0.7
185.13274	1.1
187.11197	0.6
187.14833	0.6
189.12717	3.2
191.08484	0.6
191.10646	1.6
191.14421	0.5
193.10110	1.3
194.10922	0.4
195.11682	1.7
196.08795	0.4
197.09608	0.5
197.13321	1.5
197.88416	0.4
199.11226	0.7
201.12746	3.1
203.06673	0.4
203.14111	0.5
205.10115	0.6
206.10860	0.4
207.11763	1.2
208.12463	0.4
209.13329	1.3
211.11227	1.3
213.12721	0.6
217.12206	0.6
219.11902	0.6
219.13792	2.7
220.12489	0.5
221.13286	1.1
225.12694	0.5
231.13727	0.4
233.09651	0.4
233.13399	0.6
234.07579	0.6
235.11153	0.5
235.14896	0.8
237.12759	0.5
245.13252	0.5
247.11061	0.7
250.07091	8.8
251.14421	0.5
253.15982	0.8
263.14224	0.9
271.16791	0.5
281.15314	1.6
291.13718	0.4
299.16434	0.5
309.14883	1.3
313.18027	0.4
317.39453	0.4
327.15887	1.2
404.18552	1.0
422.19498	0.4
432.17828	1.1
450.19000	1.6
468.20157	2.5
470.95673	0.4
486.20624	0.5
510.20816	0.7
528.22516	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	528.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03932	2.2
55.01864	0.6
55.05498	1.0
57.03440	1.0
64.36422	0.5
67.05499	2.0
69.03430	3.6
69.07050	0.6
69.56486	2.3
71.00851	0.6
71.04975	2.3
78.03455	7.5
79.05485	2.1
80.05020	1.9
81.03413	10.6
81.07051	1.9
82.49657	0.5
83.04969	2.2
91.05473	5.1
93.07030	1.8
95.04957	2.0
95.08582	1.4
96.04480	2.3
97.02869	1.2
97.06530	1.4
99.04455	8.1
103.05474	0.6
105.07030	5.4
106.02910	19.3
107.04924	0.6
107.08571	2.5
109.02879	3.5
109.06549	0.6
111.04455	3.7
115.05458	1.0
116.06221	0.7
117.07010	4.5
119.04936	0.6
119.08587	4.1
121.06524	0.8
121.63941	0.5
124.03946	100.0
125.04316	0.8
127.03893	3.6
128.06198	1.5
129.07011	2.3
130.07773	1.1
131.08556	8.9
133.06512	0.9
133.10147	1.2
135.08015	1.4
135.11617	0.5
137.05951	0.6
137.81870	0.5
138.05495	1.4
141.06979	1.2
142.07776	1.3
143.08548	4.9
145.06471	0.9
145.10101	8.9
147.08080	1.3
147.11676	0.5
153.06989	1.1
154.07779	0.8
155.07481	0.5
155.08505	3.2
156.09341	2.0
157.10114	4.0
158.10863	1.0
159.08046	0.9
159.11681	2.1
159.87743	0.5
161.09624	1.0
161.13235	1.2
163.11188	0.6
165.06934	1.0
167.08560	1.3
168.09337	0.6
169.10136	2.3
171.07933	0.7
171.11650	3.5
173.09628	1.2
173.13242	17.0
175.11201	0.6
178.07715	0.8
178.87959	0.5
179.08571	1.6
181.10092	1.1
183.08005	1.2
183.11716	3.5
185.13290	1.1
187.07364	0.5
187.11017	0.7
189.12727	4.7
191.10632	2.9
191.14330	0.6
193.10143	1.9
194.10991	0.8
195.11649	2.1
197.09666	1.4
197.13297	2.1
199.11089	0.7
201.12759	3.9
205.10141	1.5
207.11761	1.4
209.13263	1.3
211.11162	1.5
217.12225	1.0
219.11816	1.0
219.13773	5.0
220.12392	0.7
221.09738	0.9
221.13292	0.8
225.12637	0.6
232.06013	0.7
233.13229	0.6
234.07651	1.4
235.14856	1.2
237.12747	1.2
245.13257	1.3
249.14935	0.7
250.07103	15.7
255.28992	0.6
263.14233	1.4
281.15283	1.3
291.13882	1.0
309.14804	1.7
327.16016	1.8
402.17041	0.6
404.18326	2.5
422.19556	1.1
432.17896	1.6
450.18973	2.6
468.20145	4.6
486.20688	0.8
510.21442	0.8
528.23236	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	528.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.0
57.07068	2.0
58.99589	4.8
60.04498	2.0
65.29291	1.8
66.72039	1.7
67.05500	6.4
69.03066	2.2
69.03426	32.0
69.07066	3.3
76.02245	3.6
76.43308	1.4
79.05486	6.6
81.03419	20.7
81.07057	7.5
82.09973	1.5
83.04973	22.9
86.00650	18.9
86.99066	2.0
87.04475	1.7
88.02210	15.2
88.03998	13.4
88.04492	2.1
91.05479	19.4
91.25282	1.8
93.07044	6.4
95.04969	7.0
95.08592	8.3
105.00129	2.2
105.07021	16.5
106.05030	2.6
107.04934	2.7
107.08594	8.0
109.06516	4.4
111.04443	21.7
113.06021	4.4
114.03740	1.6
115.05461	2.8
116.01652	4.6
116.06228	2.3
117.07008	14.6
119.04877	1.9
119.08556	15.9
121.06428	2.6
121.10097	2.7
122.02719	7.2
128.06253	4.2
129.07007	11.9
131.08554	35.4
132.01149	33.8
132.09029	2.0
133.06503	2.7
133.10129	7.8
134.02730	5.1
135.08000	2.0
138.05505	3.4
141.06961	6.0
142.07764	7.0
143.08580	16.4
145.06483	2.4
145.10109	26.7
147.08012	2.6
147.11664	4.5
153.06989	2.4
155.08557	11.2
156.09343	9.6
157.10106	17.0
158.02730	3.1
158.10907	6.5
159.08000	3.3
159.11711	8.1
161.09586	2.3
161.13254	2.2
163.11166	2.7
165.06996	4.7
165.09145	2.5
166.07800	2.1
167.08582	8.6
168.09351	4.9
169.10120	13.4
171.08009	3.0
171.11702	17.1
173.09686	3.7
173.13252	100.0
175.14828	10.5
179.08595	5.6
180.09396	2.3
181.10109	9.4
182.10924	4.2
183.08052	2.9
183.11674	18.2
185.09645	3.9
185.13136	4.1
187.36778	1.7
191.08543	2.1
191.14281	1.8
192.09338	2.4
193.10179	6.8
194.10873	2.8
195.08067	1.9
195.11653	10.8
197.09695	4.1
197.13246	7.0
200.14455	1.8
201.12764	6.4
203.08717	3.2
204.09267	1.9
205.10321	6.5
206.10898	4.2
207.11778	5.8
209.09572	3.1
209.13264	5.3
211.11253	2.7
211.14879	2.5
214.05235	3.5
215.14221	2.3
217.10266	4.2
219.11728	3.1
219.13786	11.6
221.13252	6.5
223.11263	4.0
223.14862	4.2
232.12305	1.8
237.16385	5.3
239.14336	2.3
241.12175	10.9
247.14795	5.9
265.15799	13.4
273.14832	7.6
283.16882	24.8
293.15271	2.6
294.15253	5.2
304.13715	6.5
311.16357	3.6
315.14117	2.1
322.14700	6.6
333.15176	2.0
353.11450	2.2
354.11398	1.9
355.12000	4.2
363.16306	1.9
386.17911	11.5
396.15924	2.2
404.18918	30.5
414.17114	9.4
432.18399	51.1
433.18353	2.7
450.19455	37.5
468.20551	17.6
492.20517	12.3
496.19031	2.6
510.21429	7.4
528.22131	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	528.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
55.05491	5.7
67.05495	6.3
69.03416	20.4
70.06587	8.1
71.04984	3.9
71.41369	3.2
77.76805	2.8
79.05488	9.0
80.05071	2.7
81.03417	16.2
81.07039	7.4
83.04975	6.9
85.02907	9.2
86.00645	2.7
86.09691	7.4
87.00814	2.9
87.04456	3.5
88.02205	13.4
88.04001	10.6
91.05485	10.2
93.07048	7.4
95.04964	8.4
95.08588	3.0
97.02885	7.5
97.06514	5.8
105.03402	4.2
105.06995	12.8
107.04968	3.9
107.08592	5.8
109.02879	4.0
109.06520	5.4
111.04448	8.3
113.05948	4.6
114.03721	2.9
116.01681	13.6
117.07044	7.1
119.08558	14.5
121.02888	9.0
123.08093	3.7
124.03951	28.3
126.03773	2.8
127.03899	5.8
127.36903	2.5
128.06200	3.1
129.07034	3.0
131.04915	4.1
131.08522	13.3
132.01157	5.3
133.10123	5.4
137.05991	4.7
138.05502	8.4
141.07010	7.0
142.07809	2.7
143.08627	9.9
145.02762	3.4
145.06480	3.4
145.10129	11.5
147.04494	4.5
147.11703	3.3
155.08508	3.9
157.10139	11.2
158.02687	3.8
159.11674	8.0
161.05956	3.5
162.02234	4.9
163.03958	2.6
163.11128	6.4
165.01810	5.7
165.06990	3.5
167.08553	5.6
168.09370	3.4
169.09982	3.9
171.11620	4.7
173.09555	3.5
173.13232	9.3
181.10115	4.9
183.07986	3.1
183.11691	5.8
183.40517	2.8
184.82599	2.5
185.09615	4.4
187.11127	3.3
189.09097	3.3
193.10161	4.8
195.11716	3.3
197.13190	3.7
201.12679	4.9
209.13103	4.3
215.07101	4.4
215.08937	4.5
229.02888	2.8
233.09796	3.2
238.05812	3.8
253.08730	3.9
254.08990	2.8
261.11310	2.7
273.14835	11.7
283.16922	3.5
297.07501	25.2
298.07922	43.9
304.13623	3.2
367.07559	4.4
404.18469	4.5
414.17352	12.2
432.18350	100.0
433.18423	4.9
439.15424	3.2
450.19482	47.3
528.23132	5.4
528.29346	20.5
529.26691	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	528.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.2
58.26141	1.6
61.01138	1.8
67.05499	3.6
69.03432	11.1
69.26194	10.4
72.08143	1.9
79.05486	3.4
81.03425	7.0
81.07057	4.5
83.04972	3.2
88.02212	18.8
88.03997	3.9
89.00619	2.4
91.05466	4.1
92.12038	1.9
93.07010	3.4
95.04920	3.5
95.08638	3.5
100.02203	3.5
105.07027	8.9
107.08589	4.6
109.02901	2.1
109.06524	2.8
111.04436	3.5
113.06001	2.1
116.01662	10.8
117.07013	5.0
119.08566	9.1
128.06236	2.4
129.06990	3.3
130.03186	3.6
131.08568	6.6
132.01157	3.2
133.06461	2.5
133.10107	5.0
134.02707	2.1
135.71307	2.0
137.05963	2.0
141.07005	2.8
142.07790	1.7
143.08517	3.3
144.96024	1.7
145.10109	8.5
146.02594	2.3
147.08131	2.4
155.08534	3.9
157.10103	8.6
158.02673	3.4
159.07991	2.2
159.11716	7.1
162.02225	5.6
163.11133	4.1
165.09123	2.9
168.09412	2.9
169.10233	4.4
171.11678	2.3
173.09660	2.6
173.13290	2.6
175.11090	2.3
181.10059	2.7
183.11662	4.9
185.09627	2.6
187.11177	3.6
193.10127	2.1
197.09741	2.1
199.11200	2.6
201.12732	3.1
209.13268	2.1
211.11073	2.6
225.12720	2.4
229.12222	2.4
229.34564	1.9
255.13725	2.7
273.14841	11.2
296.64420	2.1
343.13672	2.6
386.17819	3.9
414.17404	10.7
432.18362	100.0
433.18195	3.4
450.19412	73.2
451.19104	3.4
458.60898	2.1
492.20258	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37292	1.1
53.03944	6.6
55.01866	6.8
55.05514	2.5
57.03437	6.5
61.02931	7.4
62.05779	1.3
67.05527	1.2
68.99791	3.2
69.03427	45.8
69.43156	2.4
69.43565	4.7
70.06592	3.0
71.04992	7.1
72.19353	1.3
73.02915	6.8
79.05514	1.6
81.03414	26.6
81.07056	2.7
83.04993	1.5
85.02901	100.0
86.09697	1.4
87.00824	50.8
91.03968	2.0
95.04993	1.7
95.08595	2.2
97.02885	39.9
99.04456	14.0
103.03952	1.4
105.01862	80.9
105.07043	1.6
109.02876	32.0
111.04398	1.7
111.08085	4.6
113.09693	2.1
115.03956	1.9
117.01804	1.4
121.02903	1.3
127.03905	79.2
129.01830	3.1
129.87804	1.2
130.65930	1.2
135.08006	1.7
139.07559	3.3
140.07036	1.8
141.09106	5.0
145.04951	29.7
145.06084	1.9
147.02902	3.6
151.07593	2.9
159.02905	10.0
171.02942	1.4
172.04047	1.3
181.04950	2.2
189.03926	3.0
196.68213	1.4
209.11697	9.9
213.03932	4.9
218.42766	1.5
227.12852	1.3
231.04991	29.2
249.06027	9.4
266.08167	1.5
269.13870	4.2
279.10110	1.7
280.10611	3.8
295.11746	16.2
308.10193	1.4
313.12662	5.5
331.13687	1.9
346.07874	2.3
355.12793	1.9
396.11197	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	528.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01859	4.9
57.03423	6.1
61.02924	7.4
64.55753	1.1
68.99774	2.2
69.03062	2.2
69.03423	29.7
70.06585	6.1
71.04974	4.7
72.08139	1.2
73.02902	6.5
81.03407	25.6
82.05226	1.0
83.04967	1.2
85.02901	100.0
87.00827	47.7
87.04476	1.7
91.03953	1.5
97.02254	2.2
97.02886	46.7
99.04458	13.5
105.01859	89.0
109.02869	35.6
115.56505	1.0
117.01865	1.5
127.03905	93.8
128.04251	1.7
129.01823	2.9
145.04945	43.7
147.02888	1.8
156.19627	1.3
157.69843	1.3
159.02872	12.1
167.51399	1.2
189.03917	3.3
213.03944	10.6
231.04980	39.6
249.06062	14.0
253.07071	3.2
263.29947	1.2
271.08008	1.6
351.26807	1.2
378.16025	1.4
458.29840	1.3
528.28003	5.3
529.18829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37292	1.1
53.03944	6.6
55.01866	6.8
55.05514	2.5
57.03437	6.5
61.02931	7.4
62.05779	1.3
67.05527	1.2
68.99791	3.2
69.03427	45.8
69.43156	2.4
69.43565	4.7
70.06592	3.0
71.04992	7.1
72.19353	1.3
73.02915	6.8
79.05514	1.6
81.03414	26.6
81.07056	2.7
83.04993	1.5
85.02901	100.0
86.09697	1.4
87.00824	50.8
91.03968	2.0
95.04993	1.7
95.08595	2.2
97.02885	39.9
99.04456	14.0
103.03952	1.4
105.01862	80.9
105.07043	1.6
109.02876	32.0
111.04398	1.7
111.08085	4.6
113.09693	2.1
115.03956	1.9
117.01804	1.4
121.02903	1.3
127.03905	79.2
129.01830	3.1
129.87804	1.2
130.65930	1.2
135.08006	1.7
139.07559	3.3
140.07036	1.8
141.09106	5.0
145.04951	29.7
145.06084	1.9
147.02902	3.6
151.07593	2.9
159.02905	10.0
171.02942	1.4
172.04047	1.3
181.04950	2.2
189.03926	3.0
196.68213	1.4
209.11697	9.9
213.03932	4.9
218.42766	1.5
227.12852	1.3
231.04991	29.2
249.06027	9.4
266.08167	1.5
269.13870	4.2
279.10110	1.7
280.10611	3.8
295.11746	16.2
308.10193	1.4
313.12662	5.5
331.13687	1.9
346.07874	2.3
355.12793	1.9
396.11197	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	528.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01862	5.2
55.05495	2.9
57.03436	16.5
59.04982	5.0
61.02911	5.1
64.57764	1.4
67.05495	2.3
68.99789	4.3
69.03423	80.7
69.07069	1.8
69.30577	6.7
71.04976	4.1
73.02921	8.0
79.05489	2.6
80.05025	2.2
81.03412	40.3
81.03896	2.0
81.07067	1.8
83.04963	7.0
85.02898	100.0
87.00822	42.7
87.04461	19.0
89.06020	6.8
89.75664	1.4
91.05476	3.0
95.04964	3.9
97.02886	71.7
97.06515	4.6
99.04447	14.2
103.03913	3.5
103.07574	3.4
105.01859	77.5
105.07023	3.2
106.02908	2.0
107.08578	1.7
109.02872	34.1
109.06509	1.5
111.04441	5.3
113.30282	1.4
115.03918	25.1
117.01891	2.3
117.07003	1.7
121.02863	5.0
121.06429	1.6
123.75341	1.4
124.03944	40.8
125.02354	2.9
127.03904	86.0
129.01785	2.6
129.05481	3.1
129.06976	1.7
131.08598	2.8
133.04948	12.8
133.08621	2.7
134.35689	1.4
135.04358	1.9
138.05487	44.7
139.03819	2.6
139.05783	2.2
145.04919	25.3
145.10043	1.6
147.02888	2.6
147.04414	3.5
150.07584	10.8
151.03937	2.0
157.10161	1.7
159.02927	8.3
159.07907	1.7
163.03862	3.3
165.01807	1.6
166.95061	1.4
169.10057	1.5
173.13281	3.4
177.05472	4.2
189.03938	2.7
201.12680	1.7
205.04884	2.6
213.03867	4.9
213.12753	1.6
215.05461	2.5
223.06012	2.6
231.04971	28.3
236.53911	1.5
241.07043	6.5
247.05940	1.9
249.06059	9.6
259.09726	2.0
273.06073	2.2
301.09174	2.1
309.06143	2.9
327.07101	10.4
343.17950	1.9
345.08179	12.2
363.08945	2.5
528.25055	3.2
529.36823	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	528.2957
Annotation	Doramapimod
Peak:m/z	Relative Intensity
60.16265	1.4
67.05502	4.5
69.60122	5.7
76.09781	1.5
77.03913	1.8
78.84860	1.5
79.05470	3.2
81.03415	3.2
81.07047	4.5
89.06040	2.6
91.05455	3.6
93.07040	3.7
95.04977	1.8
95.08614	2.9
105.03399	3.3
105.07034	6.7
107.08572	2.7
119.08578	5.5
121.10163	2.1
121.33567	1.5
124.04063	1.9
133.10185	2.0
136.06235	2.4
145.10135	2.6
147.11678	3.7
159.11673	2.5
171.11620	1.5
182.44046	1.7
183.21616	1.9
185.13274	3.4
195.11763	2.6
196.66164	1.5
199.14833	1.8
237.16312	1.9
315.19519	27.2
380.07886	1.6
393.79755	1.6
528.29565	100.0
528.36731	4.1
529.29639	5.6
529.38153	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	528.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05511	2.2
57.07063	0.9
59.05001	0.4
67.05496	4.4
68.76152	0.4
69.03439	0.5
69.07055	1.9
71.43678	0.4
78.03429	1.8
79.05480	4.6
80.05014	4.1
81.07056	6.9
83.08606	1.3
87.04453	0.8
88.07609	0.5
89.06024	0.5
91.05476	5.3
93.07036	6.2
95.04963	1.7
95.08604	7.0
96.04485	3.7
97.06564	0.5
105.07023	7.9
106.02912	4.4
107.08587	4.5
109.06508	0.5
109.10148	3.4
115.05435	0.7
117.07001	2.4
119.04933	0.7
119.08568	10.2
120.05684	0.4
121.10136	3.7
123.11704	0.9
124.03939	100.0
128.06184	1.0
129.07016	2.5
130.07802	1.0
131.08554	5.7
133.10117	6.4
135.11667	1.3
138.05501	1.6
141.06999	1.6
142.07765	2.1
143.08548	4.6
144.09344	1.1
145.10112	9.8
147.11665	4.3
154.07726	0.6
155.08521	3.2
156.09306	1.9
157.10126	6.1
158.10838	0.8
159.11673	9.5
161.13264	1.8
163.07602	1.0
167.08585	1.3
168.09276	0.6
169.10121	4.8
170.10890	1.5
171.11684	6.5
172.12492	0.7
173.13237	7.4
175.14778	0.7
181.10130	1.7
182.10881	1.6
183.02844	0.6
183.11646	5.3
184.12428	0.9
185.13229	5.1
186.13939	0.9
187.14789	10.1
188.15602	1.9
189.16371	2.4
190.08624	0.9
195.11649	0.7
196.12473	1.5
197.13272	6.7
199.14775	4.7
200.20111	0.7
201.16397	3.2
203.14391	0.6
209.13338	0.7
210.14061	0.6
211.14790	6.2
213.16281	0.8
223.14772	0.9
225.16309	4.2
237.16481	0.5
239.17937	1.4
241.19469	1.0
267.21036	13.2
285.22226	1.7
317.36066	0.5
355.11734	0.7
390.24213	7.9
408.25201	4.7
426.26517	1.3
468.27240	0.9
528.29388	1.8
529.31555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.71808	0.2
67.05500	0.9
69.07051	0.3
74.08058	0.2
79.05492	1.0
81.03420	0.2
81.07047	0.8
83.08629	0.2
86.66943	0.2
87.61330	0.2
87.92812	0.2
88.47456	0.2
89.06014	0.2
91.05470	0.6
93.07030	0.8
94.04064	0.3
95.05000	0.2
95.08599	0.6
97.02840	0.3
105.07008	1.5
107.08589	0.3
117.07037	0.2
119.03524	1.5
119.08569	0.3
121.10149	0.5
123.35414	0.2
124.03947	0.2
131.08574	0.4
136.06174	100.0
137.04581	0.7
137.06538	0.8
149.25504	0.2
152.89912	0.2
189.05409	0.2
268.10406	0.6
282.00549	0.3
348.14264	0.2
493.86093	0.3
528.23444	0.4
528.31586	8.8
529.21735	0.8
529.31531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2409
Annotation	13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H
Peak:m/z	Relative Intensity
55.05497	0.9
58.78354	0.8
67.05483	1.1
68.06679	0.7
69.83591	2.1
73.00509	0.7
79.05505	1.3
81.07059	1.3
82.91196	0.7
91.05499	1.5
93.07043	1.3
95.08580	1.1
105.07010	2.1
107.08595	1.5
115.67226	0.7
119.08602	2.0
119.90772	0.8
121.10103	1.5
124.03944	9.7
125.04290	3.8
126.04442	1.3
131.08603	1.1
133.10176	1.4
139.03658	1.0
145.10123	1.7
149.07973	0.7
157.10112	1.2
171.11696	1.0
187.14821	1.8
195.00305	1.2
249.78288	0.7
309.18253	1.6
353.17328	3.5
411.28690	2.6
413.19327	60.7
414.19623	2.5
469.29324	1.2
529.24060	100.0
530.24506	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.241
Annotation	13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H
Peak:m/z	Relative Intensity
53.03945	1.7
55.05523	1.1
60.85309	0.8
63.73002	0.8
67.05499	2.3
69.36507	2.9
69.36920	1.1
79.05514	2.6
81.03421	1.1
81.07056	3.5
83.04978	1.2
87.04459	1.2
89.06010	1.2
91.05488	3.1
93.07009	2.3
95.04967	2.5
95.08599	1.6
97.06551	1.3
101.81263	0.9
102.44793	0.8
103.16843	0.8
105.03384	9.5
105.04498	0.8
105.07031	11.7
106.07391	1.4
107.08616	2.4
109.10179	1.4
117.07006	1.4
119.08579	4.5
121.06542	3.0
121.10113	1.8
124.03976	2.9
129.07008	0.9
131.08617	3.0
132.10231	1.0
133.10155	2.1
137.33710	0.8
143.08565	1.6
145.10115	7.6
147.08081	1.2
147.11713	2.5
149.09637	1.1
155.08594	0.9
155.76933	0.9
157.10150	2.5
159.11751	3.3
169.10167	1.4
172.12480	1.9
173.13239	2.0
181.10194	0.9
183.11769	1.3
187.14799	11.9
197.13272	1.2
256.26321	0.9
277.16336	0.9
295.16995	1.4
311.16486	1.5
313.18069	2.6
331.19025	7.8
353.17108	6.8
404.84668	0.9
409.27029	2.0
411.28534	6.6
412.28952	1.3
413.19275	79.6
414.19800	2.8
469.29318	5.3
529.24207	100.0
529.31830	27.2
530.24316	4.9
530.32111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2444
Annotation	13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H
Peak:m/z	Relative Intensity
53.03956	4.0
54.10767	0.7
55.01877	6.2
55.05508	3.3
57.03437	1.9
61.02918	1.2
65.03941	2.0
67.05491	7.0
68.99785	2.2
69.03428	15.3
69.07053	2.8
69.65044	2.6
71.01369	0.9
71.04980	2.8
73.02901	0.8
78.52757	0.8
79.05500	8.5
81.03416	64.1
81.07054	6.7
82.03756	0.9
83.04990	6.2
85.02899	6.2
87.00832	7.1
87.04490	1.0
91.03965	1.0
91.05483	13.0
93.07040	7.9
95.04957	8.7
95.08595	5.0
97.02888	6.1
99.04464	3.6
103.03953	0.8
103.05457	1.6
105.01879	1.2
105.04512	1.6
105.07024	14.4
107.04953	9.3
107.08573	8.2
109.02886	3.0
109.06514	3.4
109.10166	2.2
111.04441	11.5
115.03955	2.1
115.05475	2.4
116.06274	1.4
117.01870	1.6
117.07004	8.7
118.07516	1.0
119.04929	2.4
119.08582	13.4
121.02894	1.5
121.06495	8.6
121.10137	4.3
123.04441	6.1
123.08109	1.8
123.11672	0.9
125.06018	1.8
127.03898	1.1
128.06183	5.4
129.01833	1.1
129.05513	1.0
129.07011	7.7
131.04950	3.4
131.08560	15.2
133.06493	4.2
133.10117	5.1
135.08049	3.3
135.11754	1.2
137.05980	1.8
137.09660	1.0
141.05475	1.1
141.07007	5.7
142.07773	4.3
143.08571	13.4
144.09357	1.5
145.06523	4.6
145.10121	12.9
147.04480	1.3
147.08051	2.8
147.11679	2.3
149.05978	2.7
149.09644	1.6
151.07527	1.8
153.06976	2.5
154.07787	2.0
155.08575	9.8
156.09329	3.0
157.06525	2.6
157.10121	23.0
158.10889	1.6
159.02885	3.1
159.08041	6.7
159.11710	6.6
161.05986	2.0
161.09633	2.2
161.13277	1.8
163.07608	1.1
165.06996	3.9
166.07790	1.7
167.08521	5.7
168.09325	1.5
169.06453	1.2
169.08783	1.3
169.10118	8.9
170.10843	1.8
171.08067	5.1
171.11678	11.9
171.13046	1.1
172.12436	5.3
173.05905	0.8
173.09587	5.9
173.13223	5.1
174.13574	1.7
175.07545	1.9
175.11166	1.2
175.14838	1.2
175.70593	0.8
177.09070	1.1
178.07809	1.3
179.08591	4.4
180.09361	1.5
181.06577	1.3
181.10104	8.6
182.10669	1.2
183.08058	3.7
183.11685	7.0
185.09683	6.7
185.13205	3.9
186.14018	2.3
187.11230	3.2
187.14742	1.4
189.09142	1.5
191.08563	0.9
192.09361	1.3
193.10149	5.3
194.07341	1.2
194.10945	2.3
195.08022	2.2
195.11679	9.6
196.12489	2.6
197.09636	3.2
197.13281	5.5
199.07655	1.0
199.11208	5.4
199.14815	3.4
201.09140	1.4
201.12753	1.7
203.10747	1.6
205.10170	3.6
205.12172	1.7
206.10928	1.9
207.11667	4.0
208.08766	2.0
208.12471	1.7
209.09720	4.5
209.13275	5.9
210.13979	1.1
211.11162	3.0
211.14832	3.1
212.15591	1.0
213.09213	1.1
213.12787	3.3
213.16357	1.7
214.13480	1.0
215.10670	1.2
215.14214	1.0
217.10271	1.6
217.12274	2.2
219.11850	2.0
219.13783	1.0
220.12431	1.4
221.09579	1.6
221.13246	3.1
222.14055	1.5
223.11165	7.9
223.14679	4.0
224.15614	1.1
225.09172	1.1
225.12819	2.7
225.16432	2.9
227.10727	1.7
227.14302	2.2
229.12247	1.5
231.11632	1.8
232.12485	1.9
233.13289	1.9
234.13918	1.1
235.14900	3.5
236.11859	0.9
237.12775	3.3
237.16443	2.9
239.10649	1.1
239.14282	2.1
241.12251	2.6
241.15886	1.4
243.11652	0.9
245.13297	2.0
247.14832	2.8
249.12694	1.5
249.16484	1.5
251.14272	1.6
251.17972	1.0
253.12187	1.0
253.15851	1.3
255.17358	0.9
257.15335	1.1
260.15601	0.9
261.12787	1.8
261.16449	2.4
263.14334	3.5
263.17865	1.3
265.15906	3.2
265.19565	1.3
270.13916	1.2
273.18698	1.3
275.17776	1.1
277.15811	2.1
278.16724	2.4
279.17517	3.4
283.16919	31.0
284.17218	2.7
288.14926	1.0
289.15961	1.1
291.17429	2.0
293.18936	1.0
295.16855	1.3
296.17657	0.8
297.18427	10.0
299.20212	1.0
301.18051	1.1
303.17392	1.1
307.16962	1.6
309.18509	2.0
311.20056	3.6
321.18661	2.2
323.16434	1.7
323.20111	2.6
325.18011	2.6
327.19489	5.0
333.18396	1.2
335.20135	2.1
337.21729	1.5
339.19580	2.6
341.21201	1.0
347.20062	2.8
349.18066	0.9
351.19464	2.1
353.21204	4.2
361.21603	1.1
365.21161	3.1
369.20703	2.4
371.20282	1.1
377.21243	2.0
379.22675	2.5
383.22159	1.4
389.21127	19.9
390.21585	1.8
395.22165	2.0
407.22147	47.1
408.22452	2.8
425.23166	12.2
433.18692	2.4
443.24106	6.0
451.20001	1.1
469.22379	1.1
485.25607	2.5
488.67014	1.0
493.22101	4.5
511.23325	9.7
529.24298	100.0
530.24573	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	529.2645
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
55.05501	19.6
65.26019	14.5
66.00582	16.3
67.05511	16.0
69.03425	60.2
70.06590	49.8
70.19930	14.8
70.58080	17.1
71.43099	18.5
75.98220	15.4
76.93673	16.2
79.05480	41.3
81.03408	34.2
81.07050	37.0
85.02903	75.1
86.09699	63.9
87.00826	18.1
91.05465	27.6
93.07018	15.2
93.14585	16.5
95.04960	24.4
97.02901	40.2
97.06534	39.3
105.01888	45.6
105.07018	55.2
119.08577	24.0
121.02106	21.1
121.02813	85.6
123.08043	20.8
125.05984	20.0
127.03905	50.7
131.08531	23.7
133.06496	26.7
135.04411	26.7
138.05507	56.2
145.04938	18.0
147.04323	36.5
157.10057	26.8
165.01837	36.8
177.05583	20.4
183.02739	18.8
184.93724	17.4
201.05516	18.5
205.04955	18.0
214.18982	17.0
215.07056	27.2
247.05945	40.7
259.09702	33.3
265.07004	58.0
285.18387	55.9
313.17938	25.7
324.62537	16.3
331.19000	100.0
361.02298	48.3
405.92477	19.4
406.26688	17.0
479.16870	32.4
511.18896	20.8
529.09009	29.0
529.15869	43.1
529.25616	73.4
530.27167	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	529.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40321	4.2
67.05514	8.8
69.35517	4.0
69.35818	19.2
71.41975	3.5
75.28655	3.4
79.05489	7.6
81.07057	6.8
87.04480	7.4
89.06042	12.3
91.05461	5.2
93.07059	8.5
95.08603	5.1
98.23473	7.4
105.07021	36.0
107.08582	5.6
119.08556	3.6
119.11635	3.7
131.37668	3.4
133.08646	6.4
137.04578	7.6
139.74950	4.3
142.97308	3.8
147.08093	5.6
155.24086	3.9
215.05582	4.3
236.21040	3.8
256.26410	5.2
309.96725	4.1
383.11145	3.9
406.05634	4.5
429.57153	4.1
529.29266	100.0
529.37531	3.6
530.29181	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	529.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11112	1.5
69.29668	5.8
71.41189	1.8
81.07035	2.2
81.29034	1.8
89.06045	2.1
98.23495	2.7
105.07032	3.5
180.70856	1.6
290.69687	1.6
293.36069	1.7
528.16083	1.8
529.29236	100.0
530.29376	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	529.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98714	0.3
55.05499	1.1
59.04997	0.4
59.76893	0.3
63.05038	0.3
67.05492	1.4
69.03423	1.2
79.05470	2.6
80.27212	0.4
81.03405	0.4
81.07045	2.5
83.04974	2.3
85.06615	0.4
87.04460	0.9
89.06014	2.8
91.05480	2.3
93.07042	2.0
95.04965	2.2
95.08624	0.9
96.39665	0.4
103.05466	0.7
105.04500	0.5
105.07013	15.8
106.02876	0.4
106.07321	0.5
107.08594	1.5
109.10131	0.6
111.04424	1.5
119.08572	1.4
121.10126	0.8
124.03937	10.1
127.01558	1.2
129.07010	0.5
131.07034	0.4
131.08574	1.3
133.08606	1.7
133.10114	0.8
137.05928	0.8
143.08589	0.6
145.10132	0.6
147.11646	1.1
151.05415	0.4
157.10146	0.6
159.11739	0.6
163.07547	0.9
169.10010	0.5
171.11717	0.6
173.13356	0.4
175.11053	0.5
177.11250	0.7
181.10057	0.4
183.02954	0.7
183.11647	0.5
195.11816	0.5
209.13266	0.4
253.48824	0.4
297.18546	0.5
353.17258	1.2
359.18277	1.4
409.27023	8.5
410.27243	0.5
413.19308	2.3
469.29199	20.4
469.35910	1.0
470.29651	1.2
529.24518	5.2
529.31262	100.0
530.31696	5.2
543.38770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17178	0.5
53.03932	0.6
53.88545	0.5
55.01852	0.5
58.16637	0.5
68.99779	1.7
69.53535	2.3
70.02942	0.7
77.03911	1.1
79.05486	1.5
91.05480	2.9
92.82529	0.4
95.04958	2.7
96.04498	0.6
103.05463	41.0
103.55642	0.5
104.05779	0.7
105.03399	0.8
105.04531	0.7
105.07018	1.3
107.04953	2.3
110.02389	0.5
111.03175	0.7
112.03934	0.7
112.75469	0.5
114.05528	0.9
115.05444	2.2
117.07018	2.3
124.03926	2.0
124.61234	0.5
126.05500	1.3
129.06978	1.0
131.04919	100.0
131.08598	1.7
132.05252	1.8
136.04015	0.5
138.01915	2.9
138.05537	0.5
138.79747	0.5
139.02562	0.7
140.03419	22.9
141.07016	2.3
143.04884	0.7
145.06462	1.2
153.01813	1.0
154.04976	0.9
158.04469	1.2
159.08051	2.8
163.07504	0.5
164.03436	1.1
166.01344	2.7
167.02145	9.4
168.02892	6.2
169.06512	1.2
170.09563	0.8
176.03482	0.7
178.01328	2.8
178.04915	0.6
180.02942	1.2
182.04449	2.1
185.03210	5.3
187.07541	4.2
192.02924	8.8
194.00888	1.8
194.04477	11.8
194.06186	0.8
197.00847	1.1
199.03905	1.8
204.03084	1.0
206.04495	1.7
208.02408	1.9
210.03906	1.1
210.09096	0.6
213.05513	0.7
215.07082	0.6
218.04488	0.6
220.02368	1.7
222.04060	1.7
225.05431	0.9
226.03378	1.3
226.08600	1.3
241.04926	3.9
242.08093	1.1
250.03447	10.0
259.06042	1.1
270.07632	2.9
271.08350	9.2
272.09125	5.8
278.02881	2.5
282.07608	1.7
292.69867	0.5
294.07489	1.0
296.09158	6.5
298.07190	1.2
298.10678	5.6
308.08975	1.0
310.10788	1.5
312.08707	1.6
324.08710	2.0
326.10202	1.0
336.08527	1.7
344.07574	1.0
354.09650	6.2
380.07587	4.6
382.09189	10.2
384.10721	1.2
390.05405	0.6
400.10107	0.9
440.14667	2.7
442.12781	1.0
458.15945	16.5
466.12704	0.9
468.14633	0.9
484.13788	11.5
530.11243	1.4
530.26599	1.0
532.16864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
55.05496	0.6
65.03912	0.4
66.55596	0.3
67.05503	0.6
69.03420	0.8
73.06532	0.4
78.03449	1.6
79.05480	1.2
80.05013	2.3
81.03400	1.1
81.07048	0.7
81.90759	0.3
83.04980	0.5
85.02915	0.4
86.06068	2.1
87.04456	12.1
87.35462	0.3
89.06019	1.4
91.05469	1.3
93.07031	0.6
95.04955	0.5
95.08617	0.3
96.04482	1.9
97.06512	1.3
105.07014	2.2
106.02903	3.8
107.04955	0.5
107.08586	0.6
109.06492	0.4
111.04403	0.8
113.05965	0.4
117.06960	0.3
119.04921	1.6
119.08569	1.2
120.04457	0.3
121.02854	3.2
121.06487	0.3
121.10141	0.4
122.02400	0.4
123.08025	0.5
124.03938	50.7
125.04270	0.8
127.01556	0.7
127.03902	0.4
129.07028	0.3
131.06996	0.5
131.08559	1.0
133.06502	0.6
133.08572	1.1
133.10136	0.9
133.84308	0.3
135.04413	0.6
135.08025	0.5
137.05966	0.4
138.05545	0.7
140.03395	8.3
141.69823	0.3
143.08562	0.5
145.02838	4.2
145.10048	0.7
147.00763	0.8
147.04399	0.5
147.07973	0.7
151.03815	0.4
151.07391	0.4
153.03142	0.6
155.08525	0.3
157.10106	1.1
158.10927	0.3
159.07988	0.9
159.11707	0.8
161.05942	0.3
163.03888	0.5
164.04251	0.4
165.01823	4.5
165.07082	0.5
169.10242	0.4
170.10847	0.9
171.11705	0.9
173.13242	1.0
175.07446	0.4
177.05421	0.6
177.11264	0.3
179.08499	0.3
180.09584	0.3
181.10126	0.6
183.02867	0.5
183.11630	0.6
184.12505	0.4
185.09706	0.3
185.13258	1.1
193.10123	0.4
196.12524	0.4
197.13025	0.4
201.12666	0.4
203.14255	0.6
209.13217	0.7
210.06773	1.3
213.12650	0.4
221.05896	0.4
221.13255	0.4
223.14867	0.8
237.05426	2.6
238.06079	2.3
239.06950	1.0
247.06071	0.4
253.08536	2.6
260.09875	0.5
264.85623	0.3
265.04813	2.0
265.07355	0.3
267.06284	0.3
283.16888	0.3
297.07526	100.0
298.07822	3.5
308.16458	0.3
311.16272	0.7
329.17422	0.6
360.18082	0.3
376.45630	0.3
418.80118	0.3
422.15970	1.0
452.20563	0.5
470.21625	0.4
512.22736	2.0
530.23755	13.6
531.24347	0.4
531.35181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92263	0.4
55.01741	0.5
55.01962	0.5
55.05386	0.8
55.05616	0.9
56.04878	0.9
56.05145	0.8
57.03296	0.5
57.03533	0.8
59.66647	0.4
60.39637	0.4
65.44286	0.5
67.05653	0.5
68.05145	0.7
68.99921	0.8
69.03175	0.7
69.03582	1.3
70.06332	0.8
70.06741	1.9
71.05095	0.4
72.04298	0.5
72.04629	0.8
73.03023	0.5
80.05122	0.7
81.03074	0.7
81.03592	2.3
82.06312	0.5
82.06725	0.9
84.04617	0.8
84.08259	0.6
85.02547	0.8
85.03094	1.5
86.06180	0.6
91.05173	0.5
91.05630	1.0
95.05130	0.8
96.04127	0.4
96.04658	1.1
97.02420	0.7
97.03091	3.5
98.06223	0.7
99.04580	0.9
103.05684	2.9
105.03544	0.7
106.06725	0.8
108.08285	0.8
109.03010	0.5
110.06254	1.2
111.04567	0.6
112.07729	0.5
112.11416	0.6
112.15089	0.4
114.05723	0.6
118.06673	0.6
120.04700	1.9
120.08256	0.6
121.03042	0.4
122.06229	0.8
124.07719	0.9
126.05746	1.5
126.09363	0.8
127.04130	1.0
128.07292	0.5
131.04100	1.2
131.05173	9.5
132.05484	0.5
134.06168	0.9
135.08290	0.4
136.06729	0.7
136.07823	5.2
138.05763	1.3
140.06268	0.5
140.07204	1.0
145.10271	0.4
146.06160	0.7
146.10664	0.5
147.04630	0.6
148.07779	1.0
150.09297	0.5
152.07373	0.5
156.06834	2.3
160.04147	0.4
160.07706	0.6
162.05777	2.2
163.04054	0.6
164.07219	0.7
165.02109	6.6
174.05661	1.2
174.07906	5.7
175.04039	0.9
175.06543	0.6
176.07306	1.1
176.09460	1.3
177.02010	1.0
177.05627	0.7
178.08829	0.8
179.03613	0.5
180.03078	0.9
180.06789	0.6
183.02899	3.5
187.04184	1.1
187.15123	2.1
188.07317	1.2
188.15445	1.7
189.02121	6.6
190.05174	1.3
191.00003	1.5
191.03694	0.8
192.06755	0.7
195.03134	0.5
197.01086	0.5
200.07401	0.5
202.04968	3.4
202.08929	0.4
203.03716	4.8
203.06053	5.1
204.03267	1.4
204.06577	5.1
205.04941	10.6
206.04572	0.5
206.08330	0.4
207.02864	3.0
209.01131	1.6
211.14998	0.5
212.15530	0.6
214.05183	0.7
214.10918	1.0
215.03690	3.2
216.06744	1.0
217.05074	2.7
217.07336	0.5
218.04752	1.5
222.07701	0.8
223.06110	0.6
228.06850	1.1
229.04878	0.5
230.04454	37.6
231.03143	1.2
231.05205	12.7
232.03816	1.6
232.06021	36.9
233.04701	2.7
233.07002	2.2
234.07603	2.4
244.06030	2.3
246.07552	2.4
248.05539	11.0
249.04149	0.5
249.06250	0.9
250.07106	4.0
258.07916	1.6
259.18256	0.8
260.09409	0.5
262.07193	2.1
269.08060	3.9
274.07404	1.3
284.09286	0.9
286.07462	1.0
292.09787	0.8
293.08011	5.7
294.07938	0.5
294.11264	0.6
295.06308	1.2
307.09637	3.2
309.11502	1.9
319.09848	1.1
321.11401	1.3
334.10693	21.1
335.11584	11.7
336.12259	26.0
337.13153	3.3
338.13794	3.3
340.08289	0.7
348.12454	1.8
350.13947	2.0
352.12100	1.3
354.13379	2.8
358.09464	0.9
366.13522	0.7
368.14978	0.8
376.10077	2.7
378.13550	1.6
390.13965	0.6
394.11588	1.1
402.13580	0.5
404.14960	0.5
408.14261	2.0
416.15140	0.5
432.14612	2.8
444.14542	1.1
462.15454	3.0
480.16501	32.0
481.16998	1.3
494.17929	0.9
498.17542	100.0
499.17911	6.6
512.18750	6.9
530.20044	17.1
530.26489	1.4
531.20099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.6
67.05503	1.7
69.07072	2.1
70.06583	8.3
70.41623	0.8
71.40950	0.9
72.08147	6.9
79.05488	1.1
81.03419	1.1
81.07040	1.1
84.04493	1.2
84.08141	3.3
85.02881	1.5
86.09704	7.4
97.02846	0.8
101.07121	1.7
109.02837	0.9
118.06548	1.1
120.62129	0.8
121.02884	1.3
127.03905	1.5
129.10239	3.6
138.05476	6.6
140.06973	1.1
146.06003	17.5
166.04942	4.6
174.05489	6.0
185.16447	1.3
187.14485	5.5
192.06480	1.0
196.07457	1.2
206.08150	6.9
209.11821	1.7
211.08630	1.6
213.15979	1.5
215.13631	1.2
219.09161	1.0
223.08623	2.7
224.07002	0.8
224.09163	1.1
225.10138	0.9
236.09380	1.0
237.10208	27.8
238.08752	1.2
238.10999	1.5
239.08138	3.5
239.11824	2.5
240.08946	1.3
247.08591	1.6
248.09514	0.8
249.10147	1.7
250.08688	2.6
251.08131	4.9
252.08916	2.9
253.09715	3.8
255.11331	1.8
265.09702	35.7
266.07974	1.7
266.10461	2.2
267.07635	2.7
267.11298	10.5
269.09250	1.2
269.65707	1.0
279.07642	1.4
281.09265	4.0
283.10739	2.7
283.15390	2.3
293.06491	0.7
293.09161	25.6
294.09943	3.7
295.10770	9.5
299.10190	4.9
311.10229	30.6
312.10898	2.9
313.11850	9.8
315.19708	1.0
321.08667	10.6
325.11740	1.2
327.13483	1.0
333.20868	1.4
339.09723	50.8
340.10352	2.0
343.12225	0.8
353.11310	9.4
371.12338	100.0
372.12396	3.3
400.22260	0.9
452.18237	3.5
480.17624	33.9
481.17740	1.5
486.20053	1.5
494.18863	1.1
512.20587	4.4
530.18811	3.2
530.26361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.1
53.03940	0.3
55.05506	0.2
60.09588	0.1
65.44811	0.1
67.05491	0.3
68.05018	0.1
69.03425	0.3
69.07062	0.2
69.15085	0.7
73.02903	0.1
78.03445	0.6
79.04219	0.2
79.05479	0.4
80.05011	4.1
81.03414	0.2
81.07044	0.2
81.21677	0.1
82.81989	0.1
85.02899	0.2
86.02733	0.1
87.04463	0.5
89.06021	0.4
91.05476	0.3
93.07036	0.4
95.04977	0.2
95.08595	0.3
96.04489	3.6
97.06524	0.2
98.22720	0.3
103.05450	0.1
105.07001	1.0
106.02946	0.2
107.08590	0.3
109.06529	0.2
109.10149	0.1
111.04459	0.2
117.07012	0.1
119.08560	0.3
121.02868	0.1
122.02357	0.1
124.03945	100.0
125.04285	1.1
127.01559	0.2
129.06940	0.2
131.08565	0.3
133.06383	0.2
133.08604	0.3
133.10101	0.3
140.03400	0.3
141.06995	0.1
145.06415	0.1
145.10141	0.4
155.08481	0.1
157.10173	0.2
159.11678	0.3
163.11119	0.1
171.11642	0.3
173.13281	0.2
175.07426	0.5
185.13322	0.2
187.14832	0.4
194.12654	0.1
197.13231	0.1
199.14711	0.3
209.13281	0.2
311.16345	0.2
329.17575	0.6
347.18771	0.1
360.21329	0.1
374.63489	0.1
389.19510	0.2
409.03043	0.1
468.28558	0.1
477.28320	0.2
486.29843	0.2
530.23792	8.1
531.24304	0.3
557.09430	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
61.45596	0.1
65.46561	0.1
67.99857	0.1
68.05022	0.2
69.67706	0.2
78.03445	0.8
79.04227	0.2
80.05008	4.2
81.05341	0.1
95.08582	0.1
96.04486	3.2
105.07003	0.1
106.02882	0.2
107.08493	0.1
119.08559	0.2
121.10123	0.1
122.02334	0.1
124.03938	100.0
125.04281	1.2
131.08551	0.1
133.10103	0.2
140.03415	0.2
145.10095	0.2
147.11722	0.1
154.65953	0.1
157.10141	0.1
159.11626	0.1
170.10805	0.1
171.11583	0.1
173.09558	0.1
173.13243	0.1
185.13283	0.1
187.14827	0.1
189.46634	0.1
214.07022	0.1
276.83600	0.1
283.16797	0.1
287.16345	0.1
293.07132	0.1
301.18024	0.1
311.16354	0.3
329.17398	0.4
452.20590	0.1
512.22729	0.1
522.47498	0.1
530.23706	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	530.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
52.01888	0.2
53.03932	0.3
55.05498	0.2
67.05501	0.3
69.03419	0.2
69.06977	0.3
69.07266	1.0
71.18089	0.1
73.02908	0.2
76.15707	0.1
78.03445	2.4
79.04238	0.4
79.05478	0.4
80.04545	0.3
80.05012	5.1
81.07050	1.0
82.55742	0.1
83.04965	0.2
85.02895	0.3
87.04453	0.3
91.05463	0.5
93.07030	0.6
95.04960	0.3
95.08611	0.9
96.04492	3.8
96.42146	0.1
103.32310	0.2
105.07005	0.8
106.02909	6.1
107.08597	0.6
109.06538	0.4
109.10146	0.7
117.07019	0.2
119.08569	1.3
121.06532	0.2
121.10126	0.6
123.08049	0.4
124.03946	100.0
125.04269	2.0
126.04463	0.2
127.01537	0.2
131.08572	0.5
133.06598	0.2
133.10139	0.8
135.08029	0.4
137.09572	0.2
140.03458	0.2
143.08556	0.3
145.10094	1.0
147.08139	0.2
147.11711	0.4
149.09634	0.2
155.08516	0.2
157.10114	0.5
158.10893	0.2
159.11699	0.8
161.09642	0.3
161.13271	0.3
166.05034	0.5
169.10129	0.2
171.11658	0.4
173.09602	0.3
173.13260	0.5
174.14011	0.2
175.14882	0.3
177.16341	0.4
180.06569	0.5
181.10188	0.2
183.11755	0.3
185.13283	0.5
187.11263	0.3
187.14809	1.7
188.15594	0.2
195.11670	0.3
198.14052	0.2
199.14783	0.4
202.54135	0.1
203.14294	0.4
208.06041	0.6
211.14848	0.2
215.14285	0.2
217.15810	0.3
223.11208	0.2
223.14850	0.2
255.17429	0.4
265.15866	0.3
283.16934	0.4
287.16379	0.5
293.15378	0.2
301.18005	0.6
303.64603	0.2
310.17984	0.2
311.16382	0.8
329.17429	1.8
428.96497	0.2
434.19421	0.5
452.20624	0.7
470.21695	2.0
512.22675	0.4
526.42767	0.2
530.23761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.1
53.03947	0.2
61.23978	0.1
67.05518	0.2
68.05019	0.1
69.03415	0.1
69.07091	0.1
69.77127	0.4
78.03453	0.6
79.04237	0.2
79.05464	0.2
80.03440	0.1
80.05013	4.2
81.03416	0.1
81.07055	0.2
83.04960	0.1
91.05458	0.2
91.90978	0.1
93.07014	0.2
95.04936	0.2
95.08591	0.1
96.04485	3.5
98.22769	0.1
105.07027	0.4
106.02901	0.4
107.08522	0.2
119.08575	0.3
121.10126	0.1
124.03942	100.0
125.04261	1.2
129.07016	0.1
131.08601	0.2
133.10110	0.2
143.08549	0.1
145.10107	0.2
154.05055	0.2
155.05315	0.1
157.10167	0.1
159.11647	0.2
169.10052	0.2
170.10902	0.1
170.28648	0.1
173.13286	0.1
181.10161	0.2
187.11090	0.2
187.14815	0.2
195.11819	0.1
196.12474	0.1
197.13441	0.1
211.14809	0.7
214.30545	0.1
215.14317	0.1
216.78693	0.1
223.14842	0.2
251.14380	0.3
329.17462	0.4
362.06039	0.1
389.19684	0.2
395.79456	0.1
484.39102	0.1
530.23822	4.7
531.24518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
52.01882	0.1
53.03930	0.2
54.14506	0.1
59.55837	0.1
68.04993	0.1
69.62614	0.3
78.03450	0.7
79.05486	0.1
80.05011	4.6
83.50625	0.1
83.53984	0.1
96.04486	3.1
105.07016	0.2
106.02892	0.2
107.10734	0.1
124.03942	100.0
125.04287	1.1
140.03432	0.2
183.01184	0.1
329.17413	0.2
530.23792	4.3
531.23871	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	530.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.1
53.03932	0.2
55.01866	0.1
67.05487	0.1
68.99770	0.1
69.03407	0.3
69.07044	0.2
70.71654	0.1
71.04971	0.1
78.03447	0.5
79.04213	0.2
79.05471	0.2
80.05010	4.1
81.03402	0.2
81.07029	0.2
83.04977	0.1
85.02894	0.1
89.05970	0.1
91.05447	0.3
93.07034	0.2
95.04966	0.1
95.08607	0.2
96.04490	3.2
97.02882	0.1
97.06515	0.4
105.01872	0.1
105.07011	0.2
106.02914	0.2
107.04956	0.1
107.08581	0.1
109.02891	0.1
111.04432	0.2
117.07047	0.1
119.08600	0.2
119.75634	0.1
121.02878	0.4
121.06491	0.1
122.02408	0.1
122.03181	0.1
123.07996	0.1
124.03941	100.0
125.04285	1.1
127.03907	0.1
129.07051	0.1
131.08614	0.1
133.10109	0.1
135.04454	0.1
135.08041	0.1
137.02338	0.1
138.05470	0.3
140.03406	0.2
143.08551	0.2
145.10025	0.2
147.04366	0.2
147.07832	0.3
155.08461	0.1
155.64749	0.1
157.10146	0.1
159.07936	0.1
159.11664	0.1
161.09723	0.1
163.03876	0.2
164.04211	0.1
165.01756	0.2
170.10912	0.1
173.09486	0.1
173.13269	0.1
175.07419	0.1
181.10086	0.1
183.11673	0.1
185.13268	0.1
201.44365	0.1
209.13321	0.1
213.12671	0.1
220.06850	0.1
223.14711	0.1
247.05952	0.1
248.06375	0.1
251.14365	0.1
259.09628	0.2
260.10016	0.2
265.07028	0.1
266.07397	0.1
283.16672	0.1
295.43344	0.1
298.10092	0.1
311.16321	0.2
329.17184	0.1
371.18396	0.1
480.17392	0.1
483.29498	0.1
486.29947	0.1
495.17233	0.1
530.23798	8.8
531.24847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.87552	0.7
55.01878	1.2
55.05512	6.4
57.07061	0.8
65.03929	1.4
67.05518	4.4
69.03426	31.8
69.07054	2.7
71.04975	1.3
77.03909	1.0
78.03456	3.1
79.05482	5.5
80.05011	5.2
81.03407	5.8
81.07044	8.0
83.04977	16.0
91.05479	12.7
93.07048	6.6
94.06530	0.9
95.04958	3.3
95.08637	4.4
96.04465	2.3
97.02874	1.4
97.06532	1.4
98.22604	1.5
99.04432	1.4
105.07032	13.4
106.02915	4.9
107.04925	1.1
107.08585	6.5
109.02849	1.6
109.06502	3.2
110.12797	0.8
111.04437	81.2
112.04748	1.2
113.05978	6.5
114.06229	0.8
115.05475	2.0
117.07012	9.6
119.04910	1.4
119.08578	10.6
121.06474	2.4
121.10178	1.8
123.08051	1.3
124.03947	100.0
125.04288	1.9
127.07571	1.2
128.06227	2.8
129.05486	9.0
129.06982	6.6
130.07768	2.3
131.04907	1.6
131.08559	27.7
133.06500	2.7
133.10110	3.5
135.08005	2.3
137.05946	1.3
140.03459	4.2
141.06976	3.5
142.07751	3.5
143.08551	10.1
144.09377	1.7
145.06441	1.6
145.10120	18.5
147.04446	1.2
147.08011	2.9
147.11635	1.8
149.09590	1.6
149.13254	1.6
153.06990	1.2
155.08566	6.8
156.09293	3.4
157.06450	1.1
157.10092	10.6
158.10901	2.3
159.08015	3.1
159.11703	5.6
161.09633	2.2
161.13251	2.5
163.07614	1.2
163.11150	2.8
163.14841	2.1
165.07014	2.9
166.07794	1.1
167.08534	5.0
168.09329	2.3
169.10115	7.4
171.08055	2.0
171.11694	10.9
173.09715	4.9
173.13251	54.5
175.11160	2.0
178.07774	1.2
179.08562	4.4
180.09297	1.7
181.10089	6.4
182.10843	2.2
183.08066	1.6
183.11676	7.2
185.09676	1.0
185.13222	2.2
187.11189	3.1
189.09065	1.0
189.12729	15.8
191.08716	1.4
191.10680	6.2
191.14305	6.1
192.09341	1.7
193.10143	4.6
194.10768	1.2
195.11627	7.1
196.12497	1.0
197.09663	1.9
197.13211	3.1
199.11180	2.7
201.12738	14.6
205.10130	2.2
206.10916	3.9
207.11694	2.8
209.09698	1.4
209.13222	3.3
211.11232	2.1
211.14780	2.8
213.12648	1.2
215.14290	1.2
217.10231	1.0
217.12222	2.3
219.11691	2.1
219.13780	25.8
221.13234	8.1
223.11246	1.1
223.14795	1.7
225.12692	2.1
229.12196	0.9
232.12306	1.1
233.13127	1.1
237.12755	1.4
237.16475	1.8
239.14281	2.2
241.12286	1.1
243.13748	1.1
247.14993	1.2
249.12703	1.2
255.13821	1.7
255.17438	1.2
265.15924	4.6
267.13727	2.3
269.15295	1.4
273.14877	2.4
279.15851	1.4
281.15076	1.0
283.16974	4.8
285.14896	1.5
293.15143	1.8
301.17996	1.9
311.16330	6.8
329.17459	12.9
347.18488	4.4
389.19373	4.3
407.20645	36.2
407.26096	1.9
434.19864	1.7
452.20709	4.9
512.22833	6.5
530.23993	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.05510	10.5
67.05506	8.0
69.03425	36.5
69.07059	2.3
70.45140	3.9
78.03461	3.7
79.05499	11.8
80.05033	4.0
81.03428	7.5
81.07050	9.4
83.04977	22.7
91.05480	19.3
93.07045	8.4
95.04977	6.3
95.08593	8.5
96.04494	1.8
97.06525	2.2
105.07028	20.6
106.02878	8.6
107.08578	10.9
109.02883	2.3
109.06511	3.0
111.04441	83.8
113.06033	6.3
117.07005	14.0
119.04969	2.4
119.08583	15.5
121.06520	2.8
121.10142	1.9
124.03947	100.0
125.04277	2.5
127.01582	2.9
127.03983	2.1
128.06197	2.3
129.05496	7.5
129.06985	7.9
131.08556	34.7
131.09460	2.7
133.06490	4.7
133.10126	5.9
135.08095	3.3
135.11670	2.1
141.07002	4.6
142.07797	6.3
143.08546	16.7
145.06483	2.8
145.10117	27.8
147.11667	2.5
153.07013	4.3
155.08588	9.1
156.09338	5.8
157.10109	14.9
158.10995	3.4
159.08055	4.5
159.11699	8.7
161.09621	4.6
161.13271	4.2
163.11218	5.6
163.14874	2.0
165.07021	3.5
166.07805	2.6
167.08551	5.4
168.09300	4.2
169.10197	11.4
171.08061	2.4
171.11656	15.8
173.09601	3.9
173.13257	61.4
175.11230	3.6
175.14850	2.0
178.07806	1.9
179.08580	7.0
180.09286	1.7
181.10146	8.8
182.10945	4.1
183.08031	2.1
183.11717	8.8
185.09682	3.8
185.13205	2.2
187.11209	2.9
189.12744	18.2
191.08675	2.8
191.10704	8.0
191.14275	2.0
192.09280	3.0
193.10146	8.5
194.10756	2.0
195.11679	10.8
196.12395	2.2
197.09637	3.0
197.13225	7.0
201.12753	12.9
205.10149	3.5
206.10950	4.6
207.11739	3.3
209.09499	2.5
209.13338	3.8
211.11311	2.6
211.14906	2.3
213.12790	2.3
217.10252	1.7
217.12207	3.4
219.11772	2.8
219.13754	21.8
221.13336	10.0
223.11169	3.2
223.14883	2.6
225.12633	2.8
232.12375	3.8
233.13293	2.1
235.15010	2.6
237.16476	2.7
239.14284	4.2
241.12250	2.0
247.14877	2.7
249.12579	2.1
265.15881	5.5
267.13721	3.2
279.15961	3.0
283.16953	6.7
285.14758	2.7
293.15488	3.6
301.18005	3.6
307.12210	2.0
311.16418	11.6
312.16800	1.9
329.17419	13.5
347.18506	4.1
389.19504	6.1
407.20630	44.5
452.20691	5.1
512.22833	6.3
530.13538	2.9
530.23431	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	530.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01860	4.9
56.05030	1.7
57.03431	7.0
57.73943	1.4
59.12264	1.5
61.02913	6.1
65.49383	1.2
66.01286	1.3
66.13107	1.3
67.65444	1.2
68.99772	3.6
69.03062	3.0
69.03426	44.2
69.07061	4.3
70.06581	5.1
71.04980	4.5
71.24194	1.2
72.08143	2.0
73.02907	4.7
74.06081	2.5
81.03408	21.8
81.07021	1.9
83.04988	3.0
84.04498	2.0
84.08139	2.0
84.81304	1.3
85.02899	100.0
86.09700	22.1
87.00823	45.6
91.03922	1.8
91.05468	3.5
91.22254	1.5
92.05017	1.8
93.07050	1.6
94.06542	1.6
95.04973	1.6
95.08593	2.0
97.02885	34.4
97.06532	1.9
99.04449	13.1
105.01862	78.2
105.07013	3.5
106.91130	1.3
107.08608	2.2
109.02875	28.7
109.06564	1.4
109.10175	1.4
111.04444	3.0
113.06031	1.8
116.87563	1.4
119.08578	3.1
121.02857	3.0
124.03979	1.8
127.03911	80.2
129.01836	2.9
130.06462	2.1
131.08553	2.8
132.07980	1.4
132.10115	1.3
133.10193	2.2
138.05499	70.5
145.04958	29.2
145.10121	2.1
147.04416	1.6
149.06061	1.8
157.10095	1.8
157.13387	2.0
159.02922	10.3
159.11688	3.5
163.03932	3.8
173.13248	2.8
185.12946	1.6
187.14517	4.8
189.03976	2.5
201.16373	1.7
213.03998	4.7
231.04985	30.9
249.06120	9.1
268.16629	3.0
281.12610	1.6
286.17599	2.3
313.07040	2.1
315.19623	3.4
333.20880	1.7
399.26056	1.9
420.88913	1.4
434.19864	2.2
450.30124	1.4
477.24606	4.0
506.29901	1.7
530.27496	37.5
531.27380	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	530.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36753	0.7
53.03942	2.1
55.01864	2.4
55.05508	4.7
57.03430	1.4
61.02918	1.9
65.68169	0.6
67.05472	1.0
68.99776	2.0
69.03422	10.2
71.04981	1.6
73.02906	2.1
73.06533	0.9
77.03919	0.8
78.03448	0.7
79.05477	4.6
81.03418	9.9
81.07053	18.1
83.62230	0.7
85.02898	23.9
85.03416	1.2
87.00820	9.6
91.05471	3.1
95.04950	4.7
97.02884	8.0
97.06480	0.8
98.23505	2.0
99.04442	3.4
99.08090	2.1
103.05492	2.4
105.01860	8.7
105.03350	1.1
105.07029	2.9
106.02924	1.5
107.04945	100.0
107.08612	1.1
108.05262	1.8
109.02863	9.2
115.05453	1.2
117.06953	1.5
119.04918	7.8
119.08552	1.8
121.06494	8.1
121.41634	0.7
124.03948	10.4
127.03899	13.6
127.53034	0.8
128.51605	0.7
129.01854	0.9
129.06993	1.3
131.04904	7.3
131.08502	1.3
133.06427	0.8
133.10178	0.7
135.08012	0.8
135.49278	0.8
137.05928	0.8
143.08528	1.5
145.04962	6.5
145.06491	1.2
145.10101	1.9
146.10426	1.0
147.04355	0.9
147.08069	0.8
149.09604	94.8
150.09923	1.4
157.10011	1.0
159.02863	4.7
159.08015	1.5
159.11708	0.8
161.05937	1.5
161.09592	2.3
167.08586	0.7
173.09592	7.1
175.11160	10.9
177.09100	2.3
179.10666	1.1
180.06441	0.8
185.13185	1.3
187.11125	2.0
187.14796	4.3
188.15079	4.2
189.03929	1.6
191.10654	3.5
192.06448	0.9
193.12195	2.0
197.09486	1.0
199.10999	1.0
203.07014	1.7
203.10548	0.8
205.01300	0.8
207.10182	0.9
209.00778	1.6
211.14798	0.9
212.15034	1.2
215.10625	1.7
217.12193	2.1
229.04849	0.9
229.15765	3.4
229.45442	1.0
231.04964	4.3
233.11545	0.8
235.13243	2.0
239.10536	0.8
242.62169	0.8
247.16910	65.4
248.17265	2.3
249.05986	1.4
257.11676	5.2
271.16925	2.1
275.12646	2.0
289.17868	4.3
295.05780	1.8
313.17645	0.9
331.18954	2.0
337.17871	0.9
355.18915	4.5
373.20129	3.6
381.48657	0.7
459.19833	1.5
512.22345	2.1
529.37189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01874	4.4
57.03448	3.9
57.07069	34.0
59.75275	1.8
61.02919	3.9
65.03923	3.4
68.99786	4.9
69.03430	25.1
70.06583	3.9
73.02920	3.5
75.33009	1.9
79.05496	9.4
81.03415	20.8
81.07049	100.0
84.08162	7.6
85.02901	43.6
87.00826	25.5
95.04966	5.9
96.04529	3.1
97.02885	26.9
99.04455	5.6
99.08099	9.2
103.05470	15.3
105.01842	26.4
105.07034	2.1
109.02878	17.5
111.04442	68.8
112.11233	7.5
116.20498	2.0
117.01866	3.9
123.04436	11.0
127.03908	34.6
131.04918	47.8
135.04384	4.1
145.04948	16.1
159.02901	9.1
165.01865	3.8
167.10683	7.1
180.02917	9.1
191.10658	64.5
202.12305	4.7
203.03555	2.6
209.11714	70.4
213.03802	2.3
219.06509	8.0
226.13782	2.2
231.05144	8.1
232.06018	5.6
247.16975	13.3
249.05936	2.4
257.11710	2.6
259.18051	8.7
265.17996	29.6
275.12894	5.0
276.48074	2.1
284.09134	4.4
299.12921	5.1
299.39758	1.9
317.14114	2.5
336.12216	3.5
480.16437	2.8
498.17590	35.3
530.20050	3.8
530.26617	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	530.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01864	1.6
55.05500	2.0
67.05500	10.3
69.03417	3.9
69.07069	2.1
69.10452	3.3
69.10858	9.2
70.08156	1.5
70.19940	1.5
70.47404	1.5
71.04987	2.3
77.03917	2.1
78.03467	1.5
79.05476	3.1
80.05013	1.3
81.07052	9.6
83.04973	4.1
87.04430	2.1
91.05476	9.7
93.07030	7.8
95.04958	17.6
95.08609	4.7
97.02886	5.5
97.06538	2.2
105.03387	100.0
105.04517	5.3
105.07019	11.9
106.02940	2.7
106.03721	1.8
107.08595	5.4
109.06540	5.2
109.10164	3.1
111.04441	4.1
116.83017	1.5
117.07013	5.9
119.08569	14.5
121.06530	5.4
121.10145	2.9
124.03944	31.4
128.06209	2.0
129.06973	2.9
131.08560	9.8
133.10150	6.8
135.08054	4.6
137.09486	1.4
141.05382	2.9
141.06990	2.9
142.07756	3.3
143.08575	7.5
144.09329	1.8
145.10114	12.4
147.08020	1.7
147.11685	4.0
149.09619	5.5
154.44333	1.5
155.07060	3.1
155.08568	6.3
156.09303	5.1
157.10117	9.9
158.10922	2.5
159.11688	10.9
161.09607	3.1
165.06953	2.2
167.08662	2.0
168.09319	1.6
169.10088	8.6
170.10829	3.2
171.11668	14.0
173.09604	3.1
173.13211	8.8
174.14079	1.5
175.11214	3.5
175.14893	1.5
179.08569	2.7
181.10117	5.9
182.10846	2.2
183.11618	6.9
184.12405	2.9
185.09602	2.4
185.13275	8.2
187.11205	3.6
187.14821	2.5
189.13013	1.7
193.10088	3.6
195.11690	5.8
196.12448	3.3
197.09645	1.8
197.13266	14.2
198.13788	1.7
199.14711	2.8
201.12723	6.5
203.14319	4.6
205.10141	2.3
206.10786	1.8
207.11696	5.4
208.12370	1.6
209.13220	7.5
210.14032	1.4
211.11223	2.2
211.14798	6.0
213.12665	1.8
215.14276	4.5
220.12492	5.4
221.13278	3.2
223.14755	2.6
225.12744	2.4
225.16435	7.5
229.15936	2.8
233.13351	1.6
234.14082	2.2
235.14769	10.5
237.12804	2.0
249.16350	5.1
253.15898	9.0
267.17542	3.1
269.15134	1.9
271.16943	6.5
277.15808	2.2
285.18570	2.3
286.94766	1.7
289.18024	2.4
295.16879	8.1
313.17969	85.1
314.18240	2.5
329.17715	1.6
331.19025	28.3
410.27570	2.2
414.19861	2.0
435.21631	7.1
470.29739	9.4
489.05206	1.6
513.25140	2.3
530.32086	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	530.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
55.05508	1.7
57.03445	0.3
57.07051	0.8
59.00354	0.3
59.04981	0.4
60.78902	0.3
65.03933	2.5
67.05505	3.6
69.03419	1.2
69.07063	1.8
71.04983	1.2
71.08613	0.5
71.43137	0.4
79.05489	3.4
81.03403	0.8
81.07050	3.3
82.07388	0.3
82.26614	0.3
83.04971	1.7
83.08607	0.8
85.06557	0.4
87.04456	1.1
89.06028	1.4
91.05471	2.9
93.03391	0.6
93.07037	4.4
94.07307	0.3
95.04961	1.8
95.08596	3.3
97.02878	4.6
97.06525	1.0
105.04500	0.4
105.06343	0.6
105.07022	9.2
106.07367	0.4
107.08580	3.6
109.06507	0.7
109.10143	1.4
109.66544	0.3
111.04433	2.4
111.08050	0.9
113.05956	0.4
115.05504	0.4
117.06992	1.3
119.08572	13.8
119.77248	0.3
121.02856	33.5
121.06500	1.3
121.10143	3.2
122.03189	0.5
122.06786	0.3
123.08043	0.8
123.11675	0.4
124.03942	0.6
125.05997	0.6
128.06216	0.5
129.07010	1.1
129.63416	0.3
131.08534	3.2
133.06519	0.4
133.08574	0.8
133.10121	4.3
135.08041	1.1
135.11685	0.8
136.06139	0.6
137.09586	0.5
139.03909	0.3
139.07533	0.6
141.05461	1.5
141.06973	0.4
142.07727	1.3
143.08566	2.7
144.09303	0.6
145.10120	4.8
147.08017	1.3
147.11676	12.8
147.78809	0.3
148.08342	0.3
148.11989	0.4
149.09593	0.9
149.13220	0.4
155.07059	0.6
155.08519	1.2
156.09348	1.9
157.10112	6.1
158.10820	0.9
159.08075	0.6
159.11681	7.7
160.12321	0.4
161.09627	1.3
161.13254	4.3
163.07510	0.3
163.11133	0.3
165.09143	0.8
167.08604	0.9
169.10126	2.5
170.10881	3.5
171.11665	7.0
172.12448	0.4
173.09659	0.7
173.13239	4.8
174.14038	0.3
175.11198	1.2
175.14798	1.5
177.12691	0.3
179.08563	0.4
180.09409	0.7
181.08604	0.6
181.10120	2.4
182.10840	0.4
183.11728	2.3
184.12386	1.4
185.13243	7.2
186.14005	1.5
187.11162	0.6
187.14742	1.7
189.12645	1.5
193.08589	0.9
193.10139	1.1
194.10901	0.7
195.10062	0.8
195.11653	4.7
196.12430	0.7
197.13222	3.2
198.13889	0.6
199.11095	0.7
199.14792	6.7
200.15526	0.3
201.12793	0.5
201.16336	0.9
203.14293	4.9
204.15059	2.4
205.15823	1.8
207.11739	1.5
208.12431	1.2
209.13200	3.3
210.14061	0.4
211.14803	1.8
213.12675	0.8
213.16370	1.8
215.10664	0.4
217.12283	0.4
217.15886	0.7
220.12415	0.4
221.11513	0.3
222.14006	1.6
223.11307	0.3
223.14833	1.6
227.14275	0.3
227.17932	1.2
231.13759	0.4
235.14914	1.5
237.12727	0.5
237.16374	6.8
238.17107	0.6
239.14418	0.3
241.12172	0.8
241.19449	0.5
245.11720	0.4
251.17952	1.5
253.15950	0.5
253.19859	0.3
255.13661	0.7
255.17445	1.9
256.26224	0.4
257.15234	0.4
269.19028	1.3
271.16867	0.3
273.18539	1.2
274.15518	0.3
279.17365	1.5
282.16196	0.7
287.16379	0.3
287.19907	0.4
295.16766	0.3
297.18454	5.9
300.16989	0.3
315.19510	100.0
316.19849	3.3
410.25317	0.9
529.38269	0.3
530.27429	3.4
530.39014	0.7
531.59943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
58.04207	2.8
67.05498	4.4
69.03423	3.5
69.07072	3.4
69.11086	3.3
69.11487	2.5
71.04980	1.5
73.02894	8.7
73.06551	2.5
77.03942	0.9
79.05487	8.8
80.05490	3.0
81.03417	8.4
81.07042	8.4
83.04984	1.6
87.04456	7.5
89.05464	1.5
89.06023	29.5
90.06375	2.0
91.05461	10.4
93.07027	12.0
95.04973	4.5
95.08586	8.0
97.02872	6.8
97.06501	1.6
102.06796	2.9
103.05481	4.1
105.03405	2.2
105.04507	1.5
105.07017	83.2
106.07333	7.4
107.04943	1.0
107.08580	9.5
108.21403	1.0
109.06510	4.0
109.10130	1.9
111.04424	2.6
111.08049	1.3
112.83334	0.9
117.06979	4.5
119.04953	1.2
119.08563	21.0
121.06486	9.0
121.10133	6.1
123.08084	3.6
123.11678	1.2
124.03951	2.4
124.08089	1.9
125.06019	2.1
127.03841	4.4
128.06187	2.6
129.07001	4.1
129.79387	0.9
131.07036	1.1
131.08546	12.5
133.06520	1.5
133.08598	19.2
133.10101	10.8
134.08995	0.9
135.08099	5.0
135.11688	2.2
139.07585	1.7
141.06993	2.3
142.07762	4.9
143.08569	7.3
144.09348	0.9
145.06488	1.5
145.10107	17.9
146.09329	1.3
147.08031	17.9
147.11694	8.0
148.08331	2.0
149.05981	1.0
149.09604	5.8
149.13240	2.5
155.07178	1.4
155.08553	6.3
155.09752	1.7
156.09300	7.1
157.10117	12.4
158.07220	1.0
158.10889	1.6
159.08008	4.9
159.11662	11.2
161.09612	3.3
161.13303	2.0
165.06992	1.9
165.09134	1.5
166.07793	1.0
167.08546	3.2
167.96585	0.9
168.09319	2.2
169.10075	13.3
170.10864	8.1
171.02249	0.9
171.06686	0.9
171.11650	15.0
172.12456	1.4
173.09583	9.2
173.13243	8.2
175.09776	0.9
175.11172	4.2
175.14787	2.6
177.11214	7.2
177.12645	1.6
178.07733	1.2
179.08568	3.9
180.09373	0.9
181.08659	1.7
181.10126	9.1
182.10916	3.4
183.11691	11.7
184.12428	1.3
185.09650	2.8
185.13240	7.6
186.10428	1.6
186.13966	1.2
187.11111	6.4
187.14792	13.5
188.11858	2.0
189.12773	1.7
192.09348	4.5
193.10100	14.5
194.10970	1.9
195.11620	4.4
196.12462	9.3
197.09584	2.2
197.13214	8.6
198.14032	3.6
199.06111	0.9
199.11104	1.5
199.14838	2.4
200.11995	1.1
201.12648	4.7
203.10683	3.3
203.14299	2.0
205.10121	2.8
205.15851	1.9
206.10806	2.7
207.11664	16.3
208.12411	1.4
209.09531	1.3
209.13197	5.6
210.14003	1.5
211.11421	5.5
211.14783	34.4
213.16374	5.8
215.10721	2.7
215.14279	8.6
216.15051	1.3
219.11812	2.1
220.12448	7.6
221.13295	8.2
223.11206	3.0
223.14851	2.5
224.11922	1.1
225.12694	9.6
225.16196	5.3
229.12254	1.9
229.15872	8.5
231.10030	6.1
234.14024	4.3
235.11194	1.3
235.14783	18.3
236.15450	3.3
237.12866	1.4
237.16325	1.3
239.10635	1.6
239.14340	1.9
239.17834	2.2
249.12730	1.3
249.16403	8.5
251.14392	2.7
253.12201	8.9
253.15875	3.5
255.13710	1.5
257.11798	3.6
266.12943	2.4
267.13928	1.9
267.17453	5.2
269.15317	2.6
271.13364	2.2
271.16879	4.4
277.15845	2.8
280.14572	3.1
285.14856	6.9
285.18515	6.4
287.16357	1.9
295.16913	33.8
298.15686	1.5
303.19479	2.7
313.17932	74.2
314.18335	2.8
331.18997	15.8
373.20035	100.0
374.20444	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	530.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66364	1.3
55.05506	7.1
57.07043	1.5
59.04984	1.4
65.03925	1.4
66.05081	1.4
67.05504	8.6
69.03415	4.6
69.07058	5.4
70.16722	1.8
70.17024	1.8
78.03452	11.5
79.05501	11.6
80.05004	3.0
81.03400	3.9
81.07053	12.8
83.04968	11.3
83.08587	2.6
85.06532	5.3
91.05474	9.9
93.07047	17.1
95.04964	8.8
95.08593	11.1
96.04496	4.5
97.02891	11.1
97.06506	2.6
98.23364	1.6
101.02360	2.3
105.03403	4.9
105.07015	18.3
106.02917	31.4
106.56421	1.5
107.08589	14.5
109.06516	4.2
109.10139	6.3
111.04420	6.2
115.03905	1.8
117.06994	6.6
119.08576	29.5
120.66034	1.4
121.06490	2.4
121.10151	7.0
124.03948	100.0
125.04322	1.6
128.06201	2.0
129.05452	1.8
129.06973	4.0
130.07730	1.4
131.08589	11.1
133.06415	1.5
133.10098	11.7
133.93448	1.4
135.08055	3.9
135.11708	3.7
139.07498	2.6
141.05365	2.5
141.06938	2.6
142.07782	6.4
143.07007	3.6
143.08560	13.6
144.09267	1.9
145.10112	17.6
147.07990	1.6
147.11655	14.2
149.09599	3.5
154.37959	1.5
155.07100	2.9
155.08557	7.3
156.09334	9.5
157.10129	27.0
158.10893	2.8
159.11700	17.9
161.09558	2.9
161.13225	6.8
163.11209	2.2
165.06981	2.0
167.08546	3.0
169.08740	2.1
169.10136	9.8
170.10905	15.1
171.11662	24.8
173.09558	2.8
173.13274	12.2
175.11238	2.0
175.14824	5.6
179.08531	1.8
180.09251	1.7
181.10118	6.3
182.10861	1.7
183.11639	8.8
184.12459	9.2
185.13258	22.3
187.11150	3.1
187.14754	8.9
193.10146	5.9
194.10916	3.5
195.11679	14.1
196.12363	2.3
197.13257	11.5
199.11110	3.2
199.14801	44.4
199.16644	2.5
201.16307	2.3
203.14339	11.1
207.11659	6.6
208.12430	3.7
209.13225	10.8
211.14838	5.0
212.11737	1.6
213.12741	2.8
213.16302	9.1
215.10608	2.1
215.17853	2.0
220.12465	3.5
221.13153	2.7
222.14017	5.2
223.14746	5.0
225.16374	3.9
227.17961	5.1
235.14807	9.3
236.15457	3.0
237.12703	1.8
237.16341	23.5
241.19502	3.1
251.18025	9.0
253.15990	2.3
255.13934	2.6
255.17393	5.2
269.19006	3.9
273.18417	2.7
279.17569	3.9
283.16830	1.9
287.19995	3.7
297.18536	12.3
298.18820	1.9
301.21457	2.7
308.16568	2.2
311.20059	12.2
313.18051	2.3
315.19516	7.9
329.21027	16.7
331.18991	3.0
337.53796	1.5
343.88281	1.5
347.22128	76.3
348.22415	2.8
470.25110	2.1
498.24841	10.3
530.27295	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	530.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01865	1.4
55.05514	2.3
57.03475	1.2
57.25943	0.8
58.37878	0.8
65.03946	2.3
67.05499	20.1
67.77582	0.9
69.03413	5.9
69.07066	2.3
69.74436	2.7
70.62118	0.8
71.04985	6.4
79.05476	7.4
81.03413	1.5
81.07053	13.8
81.07491	1.1
83.05004	3.5
83.08652	1.0
85.02929	1.7
90.04930	1.0
91.05470	6.9
93.07040	9.9
95.04960	12.7
95.08595	6.0
97.02880	13.9
97.06567	2.2
98.22797	1.0
103.05515	1.1
105.03386	25.2
105.04523	2.2
105.07017	12.1
105.07636	1.1
106.92802	0.9
107.05003	1.2
107.08593	4.6
109.06517	3.2
109.10202	1.4
111.04430	6.1
111.08098	2.7
113.06010	3.4
117.07076	3.1
119.08574	21.0
121.06516	2.3
121.10136	4.9
123.04474	2.8
123.08055	1.4
124.03951	7.3
129.06996	1.0
131.08551	8.3
133.06572	1.0
133.10103	6.2
135.08006	1.1
137.06026	2.9
137.09616	1.8
139.07591	1.3
141.05453	16.2
141.06493	1.3
141.07085	1.4
142.07820	3.8
143.08531	7.4
144.09329	1.3
145.10109	11.9
147.08041	3.5
147.11664	1.5
149.09645	3.4
152.52753	1.0
155.07059	12.2
155.08568	3.7
156.09323	6.3
157.10115	13.8
158.10881	2.9
159.08058	2.1
159.11670	11.9
161.09682	1.4
165.07010	1.3
165.09114	1.9
166.07811	1.1
167.08580	2.8
169.10110	8.3
170.10909	4.3
171.11670	23.3
171.13037	1.5
172.12300	1.3
173.09683	3.6
173.13235	18.7
173.14574	1.5
174.13814	1.2
175.11215	1.4
179.08562	3.3
180.09390	1.9
181.10083	4.9
182.10970	2.5
183.11691	11.5
184.12503	3.6
185.09650	1.6
185.13240	9.2
187.11243	3.8
187.14792	7.0
192.09329	1.8
193.10057	5.9
194.10954	2.3
195.11678	4.6
196.12463	1.5
197.09647	1.3
197.13232	18.8
197.14876	1.4
199.14970	2.2
199.70049	1.1
201.12694	5.7
202.13570	1.3
203.14294	2.0
205.10194	3.4
206.10889	2.6
207.11700	6.6
208.12500	2.0
209.13225	10.1
210.13945	1.5
211.11172	2.5
211.14804	5.8
215.14359	1.7
219.11725	2.2
220.12437	10.5
221.13181	4.9
223.11272	1.0
223.14828	4.2
225.12762	1.5
225.16322	5.5
233.13322	1.0
235.14786	24.3
235.17075	1.4
236.15245	2.0
237.16417	1.0
239.10805	1.2
239.17978	1.5
249.16225	4.9
250.12288	1.0
251.14337	2.2
251.18182	1.1
253.12248	1.2
253.15855	5.1
255.13794	2.4
263.46478	1.1
267.17447	2.1
269.15417	3.0
269.19073	1.2
271.16916	1.9
277.15887	3.9
280.14679	2.4
285.18533	1.4
287.16492	1.1
295.16910	12.8
296.17139	1.0
303.19577	3.5
313.17941	100.0
314.18399	4.2
331.19003	12.7
332.19666	1.1
349.20135	1.7
438.71600	1.1
530.27167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08598	11.7
60.48778	12.2
62.69882	13.1
67.05508	22.3
69.84590	43.9
70.88062	13.0
71.63139	13.9
76.45605	11.5
79.05501	20.3
79.64334	13.8
80.94192	12.3
81.03420	13.8
81.07044	21.9
91.05477	20.2
93.07050	24.5
95.04973	21.2
98.23403	20.5
105.03412	72.8
105.07038	42.2
107.08582	15.4
119.08575	44.6
121.10088	14.9
124.03957	62.6
133.10146	17.3
145.10127	29.8
147.11693	31.5
157.10144	17.8
159.11699	37.6
169.10107	29.1
171.11655	21.3
173.13251	17.8
183.11737	21.8
187.14722	20.2
197.13332	17.2
198.14043	21.5
203.14342	15.6
207.11658	13.3
220.12561	16.4
229.38228	13.2
249.16460	28.1
277.15720	14.9
295.16830	65.3
313.17926	100.0
331.19061	42.4
346.16843	15.6
530.24384	47.4
530.31714	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	530.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01883	0.8
55.05515	6.1
61.75356	0.8
67.05492	4.6
69.03062	1.5
69.03426	22.2
69.07066	1.3
69.11584	5.3
78.03451	4.1
79.05483	2.7
80.05006	2.7
81.03414	1.3
81.07049	5.1
83.04977	14.9
85.06509	0.9
91.05470	5.0
93.07044	5.5
95.04981	2.5
95.08591	5.4
96.04475	3.6
97.06502	1.0
103.05447	3.0
105.03426	0.9
105.07027	5.9
106.02917	6.2
107.08614	3.9
109.06531	1.3
109.10149	1.1
111.04437	49.7
113.06026	5.9
113.41238	0.7
115.05463	0.7
117.06989	2.2
119.08582	5.1
121.06519	2.0
121.10114	1.3
124.03947	100.0
125.04243	1.1
125.06020	1.2
128.06221	1.1
129.06985	2.4
131.04933	8.1
131.08582	5.5
133.10135	4.9
135.08022	0.9
141.06996	1.4
142.07755	2.1
143.07043	1.9
143.08588	4.8
145.10118	6.1
147.08073	1.5
147.11685	2.4
149.09616	1.2
149.70248	0.7
153.06976	1.1
155.08527	5.9
156.09341	2.1
157.10115	7.7
159.11678	4.4
161.09613	1.4
161.13261	1.2
165.07039	1.2
166.07817	1.0
167.08589	2.5
168.09265	0.9
169.10104	5.9
169.83871	0.8
170.10869	2.3
171.11685	4.8
173.09679	0.9
173.13281	2.5
178.07793	1.0
179.08531	2.9
180.09335	1.6
181.10106	6.1
182.10962	1.5
183.11676	7.4
185.03131	0.8
185.09506	0.9
185.13249	5.3
187.11195	1.7
187.14841	3.2
192.09352	1.6
193.10074	4.6
194.04630	1.0
194.10979	1.2
195.11681	4.0
196.12489	2.3
197.13217	3.9
199.11198	2.1
199.14825	2.7
201.12759	2.2
201.16438	1.2
203.14307	1.4
205.10088	1.8
205.15843	3.5
206.10841	1.1
207.11687	4.2
208.12392	1.4
209.13286	4.8
211.11053	1.2
211.14816	7.0
213.12750	1.1
213.16377	1.2
215.14288	1.5
219.11665	1.2
220.12413	1.6
221.13225	1.7
223.14777	2.6
225.16333	4.7
227.14281	2.5
229.15918	4.5
231.11745	1.2
233.13264	2.0
235.14847	5.7
236.15486	1.2
237.12784	1.4
237.16187	1.5
241.19551	1.3
251.17993	3.9
253.15921	7.4
255.13748	1.1
259.17899	1.1
261.16367	2.2
269.18903	4.6
271.17059	0.9
279.17441	7.4
287.19965	1.3
297.18484	13.4
315.19568	4.9
326.17520	2.6
328.19177	1.9
368.38663	0.8
384.10794	1.0
420.21515	2.2
438.22791	5.9
498.11984	1.2
530.26709	2.4
531.12372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69369	1.3
51.02365	2.1
51.64669	1.1
52.56439	1.2
53.03943	2.8
53.11756	1.2
55.01859	1.6
55.05514	2.9
57.07070	3.6
67.05482	5.2
69.03411	1.4
69.07067	2.7
69.08801	9.4
77.03946	1.9
79.05495	4.1
81.03399	10.7
81.07045	7.9
82.21590	1.3
83.04961	3.5
86.06057	2.3
88.07625	1.7
89.06023	1.5
91.05452	9.0
93.07034	8.2
95.04948	14.8
95.08582	6.9
97.02872	4.3
97.06525	1.9
98.09680	1.5
103.88575	1.1
105.03383	78.0
105.04414	6.0
105.07011	25.5
106.03692	1.3
106.07327	1.8
107.04938	1.6
107.08547	6.5
109.06494	1.7
109.10161	2.3
111.04424	3.6
117.07016	6.2
119.08559	18.9
121.06493	4.0
121.10124	4.4
123.08038	1.9
124.03938	10.1
125.05995	2.3
127.01556	1.4
127.03916	7.1
129.06992	3.4
130.07796	1.9
131.08542	12.4
132.10185	13.6
133.10094	10.6
135.08069	3.6
141.07011	1.6
142.07788	3.5
143.08549	8.3
144.09305	2.3
145.10107	53.3
147.08084	2.1
147.11664	13.5
149.09605	4.9
149.13345	1.5
153.56767	1.3
155.07060	2.6
155.08513	2.9
156.09305	5.0
157.10106	10.3
158.10860	5.7
159.08026	2.0
159.11682	17.7
161.09575	2.4
163.11113	3.1
167.08533	2.0
168.09215	1.6
169.10059	6.2
170.10902	4.3
171.11696	8.5
172.12480	8.9
173.09637	3.1
173.13199	7.6
175.11142	1.3
175.14825	2.0
179.08513	3.1
181.08691	1.5
181.10112	4.7
183.11708	7.8
184.12262	1.7
185.13263	5.9
187.11295	3.5
187.14790	100.0
188.15193	3.6
193.10117	3.6
194.10843	1.8
195.11647	3.9
196.12372	2.9
197.13251	8.7
199.11147	1.4
199.14638	1.7
201.12785	3.0
205.10252	1.5
205.15913	3.0
207.11751	7.0
208.12306	1.5
209.13132	2.7
211.14793	10.5
215.14378	3.4
220.12497	3.2
221.13237	1.9
223.14891	2.0
225.12720	1.8
225.16438	4.0
229.15877	4.1
234.13863	1.6
235.14803	10.8
249.16415	3.5
253.15811	2.4
255.13806	1.8
256.26672	1.5
257.11578	1.4
267.17383	2.7
271.16898	3.0
277.15802	2.6
285.18472	4.0
295.16916	10.7
303.19452	6.8
313.17938	33.8
314.18103	1.8
331.18991	62.8
332.19495	3.6
345.77521	1.7
349.19974	1.8
354.17587	3.1
373.20041	4.2
412.29080	3.5
413.19348	7.4
414.19632	31.6
459.60449	1.5
470.29541	2.6
530.24298	40.9
530.31812	13.6
531.24817	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	530.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
53.03930	1.2
55.05509	5.8
65.03919	1.0
67.05509	4.2
69.03426	22.7
69.07063	1.3
69.94009	1.6
69.94366	1.0
78.03443	4.7
79.05494	4.1
80.05017	3.1
80.94827	1.3
81.03400	2.3
81.07055	4.7
83.04978	15.1
85.06567	0.9
91.05469	5.3
93.07038	4.9
95.04932	1.9
95.08603	4.2
96.04480	2.5
97.06509	1.1
98.23340	1.0
105.07018	5.1
106.02909	7.7
107.08581	4.4
109.06553	1.2
109.10136	1.4
111.04438	55.4
113.06013	4.3
115.05380	0.8
117.07005	2.1
119.08561	5.4
121.06536	1.2
121.10137	2.6
124.03946	100.0
125.04252	1.3
125.05940	0.7
128.06209	1.2
129.06998	2.8
130.07756	1.2
131.08589	4.6
133.10129	3.3
141.07002	2.3
142.07788	2.6
143.07050	2.7
143.08553	4.3
145.06522	1.0
145.10080	6.1
147.08066	1.6
147.11678	2.4
153.06989	0.8
154.07790	0.9
155.08562	4.4
156.09383	1.5
157.10106	8.3
159.07990	0.8
159.11690	6.6
161.09615	1.0
161.13263	1.1
165.07034	1.2
166.07599	0.9
166.91595	0.6
167.08537	2.5
168.09344	1.4
169.10120	6.4
170.10870	1.9
171.07927	0.8
171.11644	4.9
173.09673	1.0
173.13281	2.8
175.11261	1.6
175.14807	1.0
179.08589	1.9
180.09375	1.1
181.10104	5.7
182.10835	1.7
183.11681	8.6
185.13271	2.9
187.11159	0.9
187.14792	3.5
189.12688	0.8
192.09291	1.4
193.10132	4.1
194.10893	2.2
195.11717	6.2
196.12456	2.7
197.13185	6.1
199.11195	1.1
199.14832	2.6
201.12712	1.9
201.16377	1.8
203.14308	2.6
205.10109	1.7
205.15881	3.0
206.10851	0.8
207.11661	3.3
209.13208	5.3
210.13863	1.0
211.11285	1.0
211.14822	7.6
213.12755	2.0
213.16402	1.3
215.14377	1.6
217.12161	0.8
219.11707	1.6
220.12424	2.2
221.13293	1.5
223.14790	3.3
225.12820	1.2
225.16414	5.1
227.14374	1.3
229.15877	3.0
231.11638	0.8
233.13107	1.0
235.14795	7.4
236.15446	0.8
237.12697	0.9
237.16347	1.5
239.14322	0.7
241.19417	0.8
246.14104	0.9
251.17880	4.9
253.15843	6.8
255.17429	1.0
261.16479	1.8
267.17496	1.0
269.18991	4.9
271.16803	0.8
279.17474	7.2
287.20102	1.6
297.18500	12.8
315.19489	5.1
326.17584	2.1
328.19006	1.9
347.22366	1.2
420.21555	1.6
438.22827	4.5
504.91745	0.7
507.61719	0.7
530.26703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.1
61.02920	1.7
67.05499	6.2
68.99786	1.1
69.03429	5.7
69.07066	3.5
69.75017	2.3
71.04977	1.7
79.05490	11.9
81.03410	3.6
81.07050	15.3
83.04987	1.6
83.08620	2.2
85.02899	17.3
87.04453	1.4
91.03951	1.9
91.05469	5.3
93.07040	16.8
95.04940	2.9
95.08597	17.9
97.02892	15.5
97.06532	1.7
98.22591	0.9
105.04517	0.9
105.07027	17.6
107.04951	1.4
107.08585	23.3
109.02862	1.4
109.06512	1.8
109.10159	11.6
111.04446	2.4
111.08124	1.2
117.07001	1.6
119.08569	13.2
119.76195	1.1
121.06538	2.4
121.10126	19.6
123.11704	2.5
124.03948	3.2
125.05985	5.8
125.09652	1.2
125.29242	1.0
127.03902	3.6
129.06956	1.2
131.08571	3.9
133.06468	1.1
133.10107	8.8
135.08022	1.2
135.11685	8.4
138.05482	1.9
139.07515	3.1
142.07729	1.1
143.08577	2.1
145.04985	2.3
145.06525	0.9
145.10123	7.6
147.11642	5.3
149.09619	1.0
149.13229	13.1
151.03920	17.3
151.05031	2.1
153.09067	2.3
155.08542	3.7
157.08739	1.5
157.10114	5.1
158.35092	0.9
159.11685	4.8
161.09605	2.1
161.13243	2.7
163.14815	1.9
169.10149	1.5
171.10254	1.7
171.11688	4.2
173.09596	1.2
173.13280	4.0
175.11176	1.2
175.14824	2.9
185.13260	2.5
187.14836	2.0
189.16438	6.0
191.10606	3.2
195.11761	1.4
197.13304	1.0
199.11183	0.9
199.14853	1.9
205.12225	2.1
209.13338	0.9
211.06499	0.9
213.12704	1.0
217.12183	1.5
219.13814	1.1
223.13223	4.8
225.16365	1.9
227.17853	2.4
231.13869	1.4
231.21176	1.5
241.19485	6.2
251.18097	1.2
259.20630	2.7
269.18921	5.2
287.20029	16.5
305.21051	19.5
310.09988	1.0
315.19537	8.3
333.20575	100.0
334.20923	4.8
403.30484	1.2
424.24896	1.1
495.25708	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	530.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
56.05033	5.0
58.06580	1.0
60.05647	5.9
66.54713	0.9
69.07057	5.4
70.06586	23.5
72.08150	28.7
74.06075	31.7
81.03452	1.1
84.04493	2.3
84.08149	1.5
85.02888	1.1
86.09700	45.9
88.36730	0.7
91.05510	1.1
95.04937	0.8
97.02895	1.0
97.06499	1.0
101.07133	4.9
101.09569	0.8
105.07058	1.0
107.08590	1.9
112.08736	3.7
113.05992	0.9
114.09158	14.3
115.08693	2.0
116.07079	6.1
121.10184	1.2
129.10260	1.5
130.09758	2.7
131.11795	0.9
138.05406	1.1
142.08578	4.0
142.12289	1.5
143.11810	3.2
145.10091	0.7
156.11366	2.8
158.09233	5.0
169.13411	1.5
175.11884	15.3
183.11453	0.9
187.14398	16.6
197.13008	1.3
197.21011	0.8
201.05498	1.2
215.13937	2.8
225.12370	3.0
243.13414	2.5
246.80576	0.9
271.17697	2.6
288.20047	1.2
297.18524	1.1
315.19690	1.3
333.20657	0.9
335.09207	1.6
372.22491	3.2
530.33014	100.0
531.33350	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	531.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60624	3.3
59.79971	3.2
60.45091	3.8
70.06581	4.2
71.11156	3.1
87.86812	3.5
90.77152	3.4
92.70439	3.1
94.92567	3.3
96.25143	4.0
98.23430	9.9
99.61156	3.2
167.06944	4.6
173.01352	4.0
228.58258	3.4
235.05984	6.3
355.13010	5.4
531.10724	100.0
531.16669	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	531.129
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20844	3.3
67.01877	3.8
68.99786	14.3
69.85585	13.6
78.82480	2.9
83.08620	3.0
86.96892	3.9
91.05479	20.5
95.01344	4.8
95.04971	4.2
98.22748	6.1
100.11258	7.2
103.05466	46.0
105.03391	4.2
105.07048	7.8
111.04419	2.8
111.67139	3.1
115.05444	42.7
131.04930	100.0
139.00270	5.7
143.04924	35.7
153.01852	4.5
155.04944	7.2
157.06474	6.3
163.00252	20.4
165.01839	19.8
165.06992	3.3
177.01816	6.4
181.01340	12.8
182.15366	4.8
183.02866	10.8
183.04401	7.7
185.00867	10.7
189.86064	2.9
190.99733	53.2
205.01286	24.5
209.00833	53.4
211.03889	6.0
223.02452	3.7
225.05469	4.0
227.01886	6.1
229.04980	22.7
230.99284	6.2
233.00787	3.5
249.00331	10.3
257.08127	8.5
263.05505	6.2
267.01422	5.1
267.06506	19.4
269.08170	8.4
271.06119	7.8
276.99884	4.9
283.05927	4.8
285.07822	3.8
293.04541	5.5
295.00781	6.0
295.05997	42.8
305.06522	5.3
309.07635	4.9
313.07269	4.0
335.05725	3.5
337.06772	3.6
353.06363	5.5
363.04990	9.2
371.12747	11.2
381.06009	10.4
397.10535	4.6
425.09070	3.0
438.61307	3.5
443.97632	4.3
449.10153	12.5
467.11200	14.2
474.43945	3.8
485.11942	4.0
513.12439	3.8
531.38483	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	531.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49503	3.3
52.64462	3.3
52.86420	3.7
67.01863	5.8
68.99790	14.1
69.88091	11.2
69.91398	3.4
86.96981	3.8
91.05476	24.2
95.01321	6.1
98.23409	5.5
103.05478	42.4
105.03409	4.4
105.07042	9.7
111.67574	3.7
113.38173	4.4
115.05457	47.5
129.07030	4.5
131.04927	100.0
143.04932	32.8
157.06598	5.1
163.00270	22.7
165.01891	22.2
165.07098	4.6
181.01369	11.3
183.02953	8.5
183.04434	8.7
185.00867	14.3
190.99756	48.6
201.05336	5.4
205.01314	29.1
207.02983	4.7
209.00793	69.3
211.03992	11.3
213.05536	5.3
222.45329	3.8
223.02325	5.2
229.04930	28.7
248.82074	4.5
249.00282	13.1
257.08060	11.9
267.01559	4.8
267.06592	28.3
269.08139	12.5
271.06039	8.5
295.06039	64.2
317.04477	4.1
322.90063	4.5
335.05756	6.2
363.04886	13.9
371.12881	12.7
381.06018	9.6
391.04141	4.8
409.05655	5.3
439.11310	7.4
449.10056	11.6
467.11227	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	531.1987
Annotation	Eriosemaone C
Peak:m/z	Relative Intensity
103.72817	0.5
105.03355	0.6
153.53139	0.5
154.51517	0.5
344.42700	0.6
370.61557	0.6
531.19849	100.0
532.19995	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	531.205
Annotation	Phenazostatin B
Peak:m/z	Relative Intensity
60.99855	0.7
69.15710	2.9
69.16113	1.7
80.23852	0.7
96.26135	0.8
97.02910	1.1
101.18073	0.8
109.88998	0.7
110.45097	0.8
114.59121	0.7
119.01061	3.1
123.39026	0.7
124.03932	1.3
127.00053	0.8
151.03871	1.5
201.03673	3.3
223.02161	2.7
241.03159	5.6
261.29938	0.7
297.05832	2.3
313.16180	81.6
314.16629	2.4
333.07889	1.4
357.08060	1.1
358.36478	0.8
375.08914	12.9
377.10370	0.9
409.18240	5.5
419.07898	4.3
427.19440	1.6
445.20001	2.6
469.20697	2.2
487.21408	56.5
488.21832	2.2
531.20392	100.0
532.20715	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	531.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08689	0.6
55.05502	0.7
56.11909	0.6
56.64736	0.6
62.48381	0.7
67.05504	0.8
71.43479	0.6
79.05494	1.0
81.07055	1.3
83.01101	1.4
83.04967	0.7
87.29746	0.6
91.05475	3.0
93.07035	1.1
95.04948	2.4
103.05447	2.3
105.07008	3.4
115.05440	1.1
117.07012	2.2
119.08569	1.4
123.04170	1.8
124.03927	1.8
128.06245	1.0
129.07030	1.5
131.04922	4.7
131.08604	2.8
132.05222	0.9
133.06464	1.1
133.10129	1.3
135.08054	0.7
143.08533	1.4
145.10130	3.0
155.08536	1.4
157.10098	0.6
173.09592	2.5
223.09390	43.2
253.12090	0.7
264.12009	1.0
271.13019	15.7
331.15128	100.0
332.15457	4.5
345.64301	0.6
463.93240	0.7
488.87787	0.7
531.25781	10.4
532.26196	0.9
547.20502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.7
55.22293	0.8
60.63579	0.8
61.34403	0.9
66.92559	0.9
67.05498	5.7
69.03068	2.1
69.03424	35.7
69.07052	1.3
69.53073	2.2
71.04970	1.0
73.88733	0.9
79.05503	5.1
81.03405	4.4
81.07063	5.0
81.07454	0.9
83.04973	23.0
84.05277	1.1
91.05463	6.9
93.07027	3.4
95.04970	4.6
95.08606	3.3
97.06519	3.1
105.07011	10.6
107.04893	1.0
107.08575	3.2
109.06496	2.2
111.04433	100.0
111.08099	1.0
112.04782	2.2
113.05986	6.7
117.06992	5.5
119.04910	1.3
119.08572	6.4
121.06500	1.3
121.10095	1.0
123.08140	1.0
124.03953	4.0
125.05964	1.8
128.06233	2.0
129.06975	3.3
130.07777	1.7
131.04999	1.2
131.08524	8.0
133.10115	2.9
135.08032	1.5
135.11653	1.2
137.05949	1.6
141.06917	2.8
142.07802	3.3
143.07030	10.3
143.08525	6.9
145.06435	1.9
145.10130	10.9
147.08028	2.5
147.11671	1.4
151.07542	1.0
153.07008	1.8
155.08527	6.5
156.09354	5.0
157.10110	8.9
158.10951	1.1
159.07976	1.7
159.11684	4.3
161.09589	2.3
163.11116	1.3
165.06984	2.8
165.09151	1.3
167.08502	3.5
168.09172	0.9
169.10112	7.1
171.08025	2.3
171.11668	15.3
173.09598	3.3
173.13220	10.4
175.11076	1.7
179.08537	3.2
180.09293	1.6
181.10085	6.6
182.10880	1.3
183.08040	2.9
183.11697	6.1
185.09604	2.0
185.13222	3.3
187.11163	1.4
189.12660	1.7
191.10640	5.8
192.09351	2.8
193.10135	4.9
195.11746	5.3
196.12479	1.3
197.09602	1.3
197.11682	1.3
197.13258	4.6
198.10382	1.0
198.83359	1.2
199.11209	2.2
201.12692	2.1
203.14297	2.8
206.10857	4.3
207.11688	3.4
208.12489	1.6
209.09607	1.2
209.13200	3.3
211.11084	2.0
211.14865	1.6
213.12686	1.5
215.14435	1.2
217.10223	1.8
217.12134	5.8
219.13722	3.1
221.13239	9.1
223.14821	1.2
225.12708	2.2
232.12430	1.2
237.12810	2.3
237.16386	3.0
239.14320	2.1
241.12172	1.5
243.13695	2.0
247.14857	3.2
249.12721	1.3
265.15814	3.4
267.13840	4.0
283.16837	7.1
293.15292	3.0
301.17844	1.1
311.16397	11.9
329.17429	20.6
355.18710	3.5
382.05933	1.0
389.19504	9.8
421.22156	53.2
422.22388	2.6
443.20428	10.5
531.25464	38.7
531.32166	2.8
532.26056	3.6
554.33789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05510	6.3
59.04995	0.8
60.85474	0.7
65.03932	1.5
67.05499	5.1
69.03426	32.7
69.07068	2.0
69.12001	2.2
69.12408	2.1
71.04982	1.0
76.24206	0.6
79.05489	2.9
81.03408	4.4
81.07049	3.9
83.04973	22.5
85.02897	1.7
91.05462	6.0
93.07030	4.4
95.04962	3.0
95.08579	3.6
97.06536	2.6
103.05462	0.7
105.07015	7.1
107.04974	1.1
107.08592	3.9
109.06511	1.9
111.04436	100.0
112.04764	2.3
113.06004	6.1
115.05448	1.1
117.07008	3.8
119.04962	1.0
119.08583	6.5
121.06522	1.9
121.10122	1.2
123.08061	1.6
124.03963	2.9
125.05991	1.6
127.07520	1.4
128.06245	1.9
129.07011	4.1
131.04913	0.8
131.08553	8.3
133.06476	1.7
133.10149	2.1
135.08067	1.8
137.05986	0.7
141.06978	3.1
142.07777	2.1
143.07037	11.5
143.08554	7.3
144.09398	0.7
145.06499	1.2
145.10098	10.3
147.08022	1.9
147.11639	1.3
154.07729	0.8
155.08565	5.4
156.09296	3.5
157.10130	8.8
159.08066	1.2
159.11717	3.9
161.09601	1.7
163.11172	1.1
165.07001	2.7
165.09128	1.7
166.07698	1.1
167.08598	2.2
167.10626	0.6
168.09366	1.7
169.10136	7.7
171.08064	1.4
171.11682	11.6
173.09621	2.8
173.13252	11.6
175.14864	0.6
179.08534	4.7
180.09308	2.0
181.10100	6.2
182.10811	1.1
183.08000	1.4
183.11682	5.5
184.12268	0.6
185.09642	1.5
185.13232	3.2
187.11244	1.6
189.12752	1.6
191.08736	1.5
191.10693	4.9
192.09270	1.5
193.10106	4.7
194.10947	1.5
195.11661	5.5
196.12442	0.6
197.09613	1.9
197.13286	3.5
199.11234	2.5
201.08992	0.9
201.12790	2.0
203.14273	2.2
204.09296	0.8
205.10216	1.7
206.10925	4.2
207.11780	3.3
208.12343	1.0
209.09601	1.6
209.13275	3.0
211.11365	1.6
211.14839	2.1
213.12746	1.0
215.14339	1.2
217.10120	2.1
217.12302	3.6
218.10907	1.0
219.11662	1.7
219.13808	3.8
221.09645	0.7
221.13268	8.6
223.11256	1.5
223.14819	2.2
225.12785	1.1
229.12215	0.8
231.11705	0.8
232.12512	1.8
235.14944	1.3
237.12715	1.3
237.16431	2.4
239.14278	1.8
243.13742	1.4
247.14896	2.0
249.12781	1.6
255.17319	0.7
261.14996	0.7
265.15826	5.9
267.13834	3.8
283.16907	6.9
285.14954	1.0
291.09354	0.7
293.15414	2.5
300.16479	0.7
301.17972	1.5
311.16373	10.1
329.17447	19.1
329.21359	1.1
347.18607	1.4
355.18677	4.5
361.20114	1.1
365.19562	1.0
389.19540	7.2
391.33194	0.6
412.03400	0.7
413.49731	0.7
421.22195	46.4
422.22519	2.1
443.20419	6.7
513.24591	1.4
531.25586	37.2
532.25964	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	532.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
62.07796	0.5
65.83091	0.5
68.05019	0.5
68.99801	3.2
69.64703	1.8
79.01838	0.8
87.60368	0.5
91.05433	0.6
103.05437	1.7
107.04941	3.9
119.04942	2.5
120.04412	0.7
121.02843	4.5
131.04897	3.1
132.04401	2.3
132.05257	0.6
134.05978	3.1
138.01823	1.5
140.03372	0.6
143.04930	0.8
144.04364	1.3
145.02800	2.7
145.06471	0.7
146.05969	0.8
156.04433	2.6
158.06017	4.7
160.03952	0.7
160.07544	1.0
166.01315	1.8
168.02934	3.6
170.06035	5.6
172.07536	3.6
178.01311	1.4
182.05989	0.5
184.02414	0.8
184.03812	2.8
186.05487	9.7
187.03928	0.6
198.05502	9.0
210.05405	0.7
212.03392	1.8
214.05006	1.7
216.06731	0.6
217.09724	0.7
226.04944	8.1
227.53545	0.5
230.04463	2.4
240.02968	1.0
254.04433	4.4
270.03845	2.6
270.07419	0.5
272.05499	3.8
272.09128	2.0
282.03949	35.5
284.05505	1.9
285.07562	0.8
291.44400	0.6
300.05002	92.6
301.05325	1.6
344.09537	0.6
374.10263	1.1
377.12424	0.6
386.10193	100.0
387.10620	3.1
388.11780	2.9
405.14374	0.6
469.13754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.05506	0.4
57.07063	0.3
59.05003	0.2
65.90687	0.2
67.05515	0.2
68.38130	0.2
70.04070	39.6
78.03439	1.0
79.04214	0.3
80.05011	4.5
81.05348	1.4
81.07024	0.2
83.08617	0.6
93.07039	0.3
95.08604	0.2
96.04477	3.9
97.04241	0.2
97.04784	0.9
98.03548	0.3
106.02897	0.3
113.00002	8.8
124.03939	100.0
125.01583	2.2
125.04282	36.0
126.04408	10.5
128.04597	0.3
139.03052	0.3
145.10129	0.2
151.03064	0.9
165.04700	0.9
196.36906	0.2
266.15195	0.2
290.14090	1.9
294.08456	0.4
308.15195	17.2
309.15427	0.6
314.17908	0.2
336.14655	0.4
364.14020	0.4
382.15091	0.4
389.38333	0.2
437.21393	0.6
455.22632	0.2
476.12952	0.2
532.18628	3.2
532.24347	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	532.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01880	10.0
55.05527	2.3
57.07071	9.0
59.04996	1.9
62.42420	1.3
67.05502	5.5
69.03419	10.7
69.03745	1.4
69.07056	9.3
70.02954	9.3
70.06593	3.8
71.04966	3.6
72.04510	22.6
73.02911	11.6
74.02461	2.2
79.05484	1.6
81.03411	16.7
83.04979	7.9
85.02926	6.2
85.06550	9.8
85.22646	1.3
86.09696	3.9
87.08096	2.7
88.14107	1.4
90.05549	30.6
95.04968	8.5
96.08110	2.5
96.81143	1.4
97.02885	10.0
98.02409	18.7
99.04473	6.4
100.03988	6.8
103.07568	3.5
109.02873	30.2
109.03555	2.4
111.04412	2.3
112.07587	1.6
113.06006	5.7
115.03923	1.6
116.03455	19.7
116.37918	1.6
118.04986	1.8
124.07581	26.0
127.03902	12.5
131.07059	2.7
132.06508	8.6
132.10220	1.7
138.05536	2.8
142.08644	18.8
145.04903	7.2
151.03889	11.0
156.10207	1.8
158.04510	1.8
158.94763	1.5
160.09689	5.8
166.08670	3.8
172.09706	6.4
174.11275	4.8
175.11877	2.2
180.17355	1.6
181.05028	3.4
184.09676	35.5
198.07657	4.8
199.06015	4.5
202.10732	100.0
203.11404	4.7
207.06641	2.5
208.06886	1.9
211.09621	11.7
216.08627	3.9
217.07030	4.0
220.11777	23.5
221.04477	1.6
223.89841	1.5
230.10284	12.8
234.09677	8.9
244.11835	3.0
262.12872	19.1
262.17249	1.8
310.12875	9.8
328.13873	50.8
346.14966	8.4
347.60907	1.8
364.15988	12.6
374.98041	2.1
514.19067	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	532.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
56.16807	1.2
56.20178	1.2
57.03433	1.3
57.07066	2.1
59.04980	2.2
65.03925	3.1
65.57796	1.2
67.05482	4.2
69.03416	3.4
69.07053	3.4
69.28642	6.8
70.02951	3.2
72.04510	8.0
73.02924	1.8
74.02409	1.5
79.05511	1.3
81.03421	4.9
83.04980	1.7
85.02893	2.4
85.06535	4.8
86.09728	1.3
90.05547	56.8
93.03401	1.8
95.04951	5.0
96.50725	1.4
97.02879	1.8
98.02409	10.3
100.03966	1.7
103.07564	3.4
105.07011	2.2
107.04920	2.4
108.02127	1.7
109.02864	2.2
111.04427	2.9
112.89264	1.5
113.05985	2.3
115.84956	1.2
116.03448	8.5
123.04352	1.6
124.07570	13.3
125.05980	2.8
127.03842	1.4
137.06004	1.7
140.03387	1.5
141.05478	1.6
142.08618	6.1
151.03899	70.1
151.05017	5.9
152.04489	1.3
154.89273	1.2
163.03879	3.2
166.08598	1.4
167.07033	18.2
169.04961	4.7
175.07544	4.8
184.09676	13.8
187.07539	3.0
191.06891	2.1
199.07649	1.6
202.10704	22.7
220.11772	100.0
221.11957	1.7
252.97798	1.6
254.84753	1.2
261.08984	1.5
262.13055	1.4
281.11685	1.7
295.08221	1.9
309.11020	1.9
313.09082	2.9
328.13696	2.7
341.13748	2.7
353.13434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03939	1.6
55.05496	1.2
63.07290	0.5
65.03923	0.6
67.05505	2.8
69.03423	8.1
69.07050	1.4
70.35941	0.8
71.04988	0.6
78.03442	3.5
79.05499	2.5
80.05004	3.2
81.03412	26.3
81.07047	4.5
83.04964	1.3
83.08631	0.8
85.02888	0.6
87.04468	0.8
91.05478	4.2
93.07045	4.4
95.04964	1.6
95.08610	4.2
96.04488	1.9
97.02837	0.7
97.06519	0.7
99.04444	3.1
105.07025	4.9
106.02904	5.2
107.08599	3.2
109.02872	2.8
109.06514	0.9
109.10140	1.3
111.04417	0.5
115.05381	0.6
117.06998	2.3
119.08578	5.3
121.06519	0.6
121.10114	1.8
123.08094	0.6
124.03943	100.0
125.04270	1.3
127.03900	4.4
128.06242	1.3
129.07011	2.2
131.08571	4.8
133.10114	3.5
135.08063	0.7
135.11687	0.9
141.06987	1.4
142.07739	2.1
143.08568	3.5
144.09288	0.5
145.04921	0.9
145.10124	7.2
147.08064	0.8
147.11668	2.3
153.06953	0.7
155.08568	2.7
156.09319	1.6
157.10121	5.6
158.10843	0.7
159.08009	0.6
159.11688	5.2
161.09601	0.7
161.13264	1.2
163.11124	0.6
165.06950	1.3
167.08588	1.0
168.09331	1.1
169.10123	4.8
170.10902	1.3
171.11700	2.8
173.09579	0.6
173.13264	1.7
175.11169	0.9
175.14815	1.4
177.09106	0.6
177.12787	0.6
177.16371	1.0
179.08572	1.2
180.09248	0.9
181.10078	2.4
182.10925	1.6
183.11676	4.4
184.12425	0.7
185.09595	0.6
185.13246	2.7
187.11243	0.8
187.14786	7.4
191.08516	0.8
192.09351	1.0
193.10153	2.0
193.30307	0.4
194.10867	0.7
195.08250	0.6
195.11694	2.7
196.12479	1.7
197.09549	0.7
197.13225	3.2
199.14835	2.6
201.12813	0.8
201.16496	1.0
203.14357	1.9
205.10098	0.7
205.15858	6.3
206.10904	1.1
207.11713	1.9
209.13268	2.4
210.13853	0.6
211.11308	0.7
211.14787	4.8
213.12657	0.6
215.14284	0.7
216.15128	0.6
219.11641	0.9
220.12491	1.0
221.13255	1.7
223.14824	1.2
225.12727	1.0
225.16302	2.5
227.14262	1.8
227.17859	0.6
229.15794	2.9
235.14883	2.1
237.16344	1.7
239.14386	0.8
239.17937	1.5
246.85538	0.5
249.16293	2.1
251.14371	0.8
253.15839	2.8
254.16565	1.0
255.17432	1.9
265.15936	0.5
267.17447	2.4
273.18396	1.4
277.15894	0.8
285.18427	2.4
295.16873	3.1
310.17734	0.5
313.17953	5.3
326.17328	0.7
328.18988	6.5
331.18942	2.5
348.25882	0.4
349.20236	0.5
355.73679	0.4
396.21796	1.2
436.21082	1.0
454.22128	2.5
472.23151	1.1
478.93820	0.4
532.26123	0.6
532.34961	0.6
542.83783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03939	1.6
55.05496	1.2
63.07290	0.5
65.03923	0.6
67.05505	2.8
69.03423	8.1
69.07050	1.4
70.35941	0.8
71.04988	0.6
78.03442	3.5
79.05499	2.5
80.05004	3.2
81.03412	26.3
81.07047	4.5
83.04964	1.3
83.08631	0.8
85.02888	0.6
87.04468	0.8
91.05478	4.2
93.07045	4.4
95.04964	1.6
95.08610	4.2
96.04488	1.9
97.02837	0.7
97.06519	0.7
99.04444	3.1
105.07025	4.9
106.02904	5.2
107.08599	3.2
109.02872	2.8
109.06514	0.9
109.10140	1.3
111.04417	0.5
115.05381	0.6
117.06998	2.3
119.08578	5.3
121.06519	0.6
121.10114	1.8
123.08094	0.6
124.03943	100.0
125.04270	1.3
127.03900	4.4
128.06242	1.3
129.07011	2.2
131.08571	4.8
133.10114	3.5
135.08063	0.7
135.11687	0.9
141.06987	1.4
142.07739	2.1
143.08568	3.5
144.09288	0.5
145.04921	0.9
145.10124	7.2
147.08064	0.8
147.11668	2.3
153.06953	0.7
155.08568	2.7
156.09319	1.6
157.10121	5.6
158.10843	0.7
159.08009	0.6
159.11688	5.2
161.09601	0.7
161.13264	1.2
163.11124	0.6
165.06950	1.3
167.08588	1.0
168.09331	1.1
169.10123	4.8
170.10902	1.3
171.11700	2.8
173.09579	0.6
173.13264	1.7
175.11169	0.9
175.14815	1.4
177.09106	0.6
177.12787	0.6
177.16371	1.0
179.08572	1.2
180.09248	0.9
181.10078	2.4
182.10925	1.6
183.11676	4.4
184.12425	0.7
185.09595	0.6
185.13246	2.7
187.11243	0.8
187.14786	7.4
191.08516	0.8
192.09351	1.0
193.10153	2.0
193.30307	0.4
194.10867	0.7
195.08250	0.6
195.11694	2.7
196.12479	1.7
197.09549	0.7
197.13225	3.2
199.14835	2.6
201.12813	0.8
201.16496	1.0
203.14357	1.9
205.10098	0.7
205.15858	6.3
206.10904	1.1
207.11713	1.9
209.13268	2.4
210.13853	0.6
211.11308	0.7
211.14787	4.8
213.12657	0.6
215.14284	0.7
216.15128	0.6
219.11641	0.9
220.12491	1.0
221.13255	1.7
223.14824	1.2
225.12727	1.0
225.16302	2.5
227.14262	1.8
227.17859	0.6
229.15794	2.9
235.14883	2.1
237.16344	1.7
239.14386	0.8
239.17937	1.5
246.85538	0.5
249.16293	2.1
251.14371	0.8
253.15839	2.8
254.16565	1.0
255.17432	1.9
265.15936	0.5
267.17447	2.4
273.18396	1.4
277.15894	0.8
285.18427	2.4
295.16873	3.1
310.17734	0.5
313.17953	5.3
326.17328	0.7
328.18988	6.5
331.18942	2.5
348.25882	0.4
349.20236	0.5
355.73679	0.4
396.21796	1.2
436.21082	1.0
454.22128	2.5
472.23151	1.1
478.93820	0.4
532.26123	0.6
532.34961	0.6
542.83783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03938	1.3
55.05521	3.6
57.77314	0.7
65.80901	0.7
67.05499	2.1
69.03424	12.5
69.07072	1.2
69.24681	4.7
71.05008	0.8
72.25506	0.7
78.03455	4.5
79.05517	2.4
80.05022	3.1
81.03426	3.5
81.07060	4.2
83.04976	7.3
85.02937	1.4
91.05481	6.3
93.07025	3.7
95.04970	2.4
95.08612	2.8
96.04498	2.5
98.22740	1.9
103.05460	2.1
105.07036	6.2
106.02921	8.6
107.08619	2.9
109.06513	1.5
109.10130	1.0
111.04446	23.9
113.06036	1.1
115.05475	0.8
117.07012	3.1
119.04975	1.5
119.08578	5.6
121.06511	1.2
121.10168	1.0
124.03954	100.0
125.04279	1.2
127.03881	1.1
128.06238	2.7
129.05470	2.2
129.07030	3.3
130.07872	0.7
131.04956	4.8
131.08545	5.4
132.05290	1.3
133.10156	3.3
141.06996	2.5
142.07799	2.4
143.08575	5.2
145.10127	6.5
147.04388	5.8
147.08067	1.2
147.11690	1.7
149.09724	0.8
151.03870	0.8
153.06886	0.8
155.08580	4.1
156.09370	1.4
157.10130	4.5
159.08026	1.1
159.11696	5.8
161.09644	1.4
161.13254	1.2
167.08600	2.3
168.09335	1.2
169.10132	2.1
170.10902	1.4
171.11685	3.0
173.09544	1.7
173.13339	2.3
175.14806	3.5
178.07784	0.7
179.08546	3.3
180.09290	1.5
181.10098	3.9
182.10979	1.7
183.08167	0.8
183.11690	3.5
185.09689	1.3
185.13237	6.0
187.11099	1.0
191.14339	1.0
192.09299	1.3
193.10187	2.9
194.10909	1.0
195.11705	2.6
196.12427	1.0
197.13261	2.3
199.11134	0.9
199.14839	1.4
201.12811	1.3
203.08665	1.0
203.14293	11.5
205.10101	1.0
206.10898	1.1
207.11722	2.8
208.12608	1.3
209.13229	2.3
211.11177	0.9
211.14796	1.1
218.10913	1.1
219.11792	0.9
221.13368	1.3
221.15396	1.4
223.14856	2.8
225.12769	1.7
227.14268	3.7
232.12418	0.8
233.13264	1.6
235.14775	0.9
239.14348	1.3
239.17943	0.9
241.15932	0.8
249.16486	1.4
251.14403	4.2
267.17465	2.6
269.15375	1.9
270.05231	30.9
277.15918	2.9
285.07578	61.0
285.18509	1.1
295.16852	4.4
313.17789	4.7
326.17468	1.6
331.18939	1.8
344.18512	2.5
436.21127	2.1
454.21957	3.5
533.12384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24002	3.4
55.05505	16.0
57.03429	6.1
59.39734	3.4
61.02936	5.7
61.55217	4.2
67.05502	86.5
69.07071	15.7
69.67559	10.7
79.05494	47.6
81.06572	4.9
81.07053	100.0
83.08624	9.6
84.78806	3.5
85.02900	7.2
85.06521	4.2
86.09705	9.5
91.05478	22.3
93.07043	64.1
95.08604	66.7
97.02834	4.3
97.06507	6.7
98.09688	15.2
99.08081	4.8
103.01317	3.9
104.10736	7.1
105.07011	23.3
107.08579	41.5
109.10139	39.1
111.11761	4.7
116.76309	4.2
117.07020	9.9
119.08588	18.6
121.10136	41.2
123.11697	19.1
131.08592	22.3
133.10129	9.3
135.11693	30.0
137.13266	7.2
145.10114	15.8
147.11685	15.2
149.13235	25.3
151.14871	4.9
159.11661	15.8
161.13269	14.3
161.20918	4.0
163.14810	19.7
170.67682	4.1
173.13295	19.6
177.16451	4.8
184.07327	4.3
187.14766	10.9
196.07361	14.7
201.16356	4.0
243.21068	37.8
261.22119	94.6
279.23206	4.8
329.09616	3.8
335.25861	22.0
353.26825	29.7
355.25262	4.0
518.84021	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.3
57.07055	3.7
61.02895	3.8
61.17660	2.6
63.80749	3.2
67.05164	4.0
67.05504	61.6
68.10758	2.7
68.25342	2.7
69.07069	14.7
69.15424	19.1
77.11779	3.0
79.05488	39.2
81.06570	3.4
81.07052	58.8
83.08627	5.5
85.02906	3.5
85.33123	2.9
91.05470	18.2
93.07037	51.8
95.04940	4.5
95.08599	48.2
97.02871	2.8
100.29931	2.7
103.05447	9.0
105.04507	3.5
105.07021	11.7
107.08600	32.8
109.06499	4.4
109.10139	29.6
117.06993	8.3
119.08582	10.9
121.10144	21.5
122.10232	2.9
123.11679	16.1
131.04903	14.9
131.08556	17.7
132.05228	7.7
133.10144	14.5
135.11678	25.6
137.13217	6.2
145.10092	14.8
147.11667	13.4
149.13252	23.2
149.60941	2.8
159.11682	11.2
161.13257	10.1
163.14870	14.3
173.13237	14.5
175.14890	3.4
177.16296	6.1
187.14754	8.1
215.17920	3.3
233.22630	5.9
243.21120	26.2
261.22134	100.0
262.22412	4.5
263.23795	3.6
301.17981	2.9
335.25687	12.7
353.26807	22.6
445.88513	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	533.1291
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01858	0.2
57.03431	0.2
67.01860	0.4
69.03434	1.0
72.96558	0.1
73.02911	0.2
81.03419	1.0
85.02899	0.9
87.00828	0.3
87.52980	0.1
91.05471	1.7
97.02894	0.4
99.04398	0.3
103.05464	0.2
105.03410	0.2
109.02865	0.5
111.04447	0.2
114.94118	0.1
117.09772	0.1
119.04931	0.7
121.02844	0.3
124.01567	0.6
127.03905	0.7
131.04880	0.4
145.04921	0.3
159.02922	0.3
167.03386	20.8
168.03787	0.2
197.05908	0.2
225.05670	0.2
242.05733	3.3
243.06416	0.2
257.08044	0.2
263.03131	0.2
270.05197	8.4
271.05750	0.3
279.08826	0.2
283.05939	0.2
285.07544	100.0
286.07883	3.5
293.04065	0.2
295.05902	1.1
447.12781	4.3
448.12766	0.2
468.71634	0.2
513.76416	0.2
515.11841	0.8
533.12872	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	533.1293
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
55.47079	0.1
60.65136	0.1
68.99805	0.2
69.03394	0.1
69.31451	0.4
71.91129	0.1
81.03404	0.1
85.02876	0.1
89.00180	0.1
97.02890	0.1
98.22646	0.1
103.05450	0.1
104.06233	0.1
104.83188	0.1
105.03388	0.6
109.02851	0.1
115.05460	0.1
116.06251	0.1
127.03926	0.2
131.04932	0.3
131.20720	0.1
144.05679	0.3
151.03935	0.9
151.05109	0.2
168.00626	0.5
168.05687	0.6
171.04430	0.2
172.05214	0.1
179.04904	1.0
185.05849	0.1
186.01578	0.3
186.06812	0.1
197.05960	0.1
199.03976	0.2
213.05498	0.2
218.05821	0.2
224.04729	0.3
241.04936	0.4
242.05743	1.0
252.04221	0.4
254.05742	0.3
269.04376	0.8
270.05209	70.0
271.05557	2.5
271.08466	0.1
284.03137	0.6
284.06277	0.2
285.07553	100.0
286.07907	3.4
302.04327	0.1
303.05002	0.1
447.12524	0.1
453.08124	0.2
533.13000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1292
Annotation	Bichanin A 7-O-glucoside-6''-malonate
Peak:m/z	Relative Intensity
53.03944	0.4
56.15217	0.2
67.01864	0.3
68.99805	0.3
69.03431	1.2
70.23045	0.2
81.03421	1.5
85.02918	1.8
87.00820	0.9
91.05481	1.7
96.22904	0.2
97.02892	1.1
98.23470	0.6
99.04431	0.5
103.05457	0.2
105.01868	0.2
109.02886	0.6
117.59549	0.2
119.04932	0.8
119.19736	0.2
121.02872	0.2
124.01607	0.5
127.03921	1.1
145.02849	0.3
145.04922	0.5
159.02939	0.5
167.03398	19.5
168.00520	0.2
168.03770	0.4
242.05725	3.5
242.08058	0.3
243.06358	0.2
257.08167	0.2
263.24326	0.2
270.05219	9.7
271.05518	0.5
282.24615	0.2
285.07565	100.0
286.07922	3.8
412.56458	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	533.129
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.24036	0.3
55.01860	0.4
56.02858	0.3
65.90633	0.3
68.99812	0.4
69.03436	1.3
70.04977	0.5
70.64521	0.3
81.03439	1.3
85.02916	1.5
87.00822	0.8
97.02901	0.7
99.05637	0.3
105.03415	0.5
109.02861	0.9
117.91267	0.2
124.54101	0.3
127.03908	1.0
145.04906	0.5
147.99420	0.3
149.51195	0.3
159.02872	0.5
168.05687	0.4
179.04968	0.4
211.35829	0.3
213.05473	0.3
241.04904	0.4
242.05713	1.0
269.04382	0.5
270.05215	47.3
271.05609	1.4
283.06024	1.0
284.03366	0.4
285.07553	100.0
286.07901	4.0
327.08582	1.1
529.48798	0.3
533.12769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
57.73581	0.4
69.03413	1.5
69.20646	0.3
69.29721	1.8
78.90876	0.4
81.03395	1.4
85.02886	2.2
87.00806	0.8
91.05492	0.3
97.02877	0.4
105.01872	0.4
105.03397	0.4
109.02870	0.5
122.32801	0.4
127.03917	1.3
131.04909	0.8
145.04919	0.4
147.04420	0.9
153.01831	0.4
239.73390	0.3
241.04968	0.5
242.05743	0.9
250.96242	0.3
267.06415	0.4
269.04459	0.8
270.05219	46.2
271.05597	1.5
283.05869	1.6
285.07556	100.0
286.07861	2.8
301.76965	0.4
307.96246	0.4
327.08606	0.8
527.25464	0.4
533.12836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1291
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.05288	0.2
69.03411	0.4
69.53156	0.6
69.53505	0.3
81.03404	0.3
85.02880	0.7
87.00851	0.2
87.24599	0.2
87.47953	0.2
97.02860	0.5
102.49677	0.2
103.05462	0.2
105.03345	0.3
109.02893	0.2
124.03940	0.2
127.03909	0.5
131.04915	0.5
145.04874	0.3
147.04424	0.2
156.65433	0.2
168.00514	0.4
168.05717	0.2
179.04909	0.8
218.05791	0.2
224.04770	0.2
241.04964	0.6
242.05812	1.0
252.00739	0.2
269.04562	0.6
270.05215	46.4
271.05618	1.3
283.06125	0.2
284.03070	0.3
285.07559	100.0
286.07925	2.6
313.07062	0.5
533.12952	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
53.03938	1.0
55.01885	1.1
57.03430	1.5
61.02921	2.1
61.14412	0.3
65.03941	0.6
66.04712	0.8
69.03426	5.9
70.06611	0.3
70.80085	0.2
71.04986	0.7
71.41689	0.3
73.02910	0.8
78.04697	0.2
79.05484	1.9
80.96582	0.2
81.03417	2.9
81.07051	0.9
83.01343	0.3
83.04972	0.3
85.02905	12.6
86.03222	0.2
87.04462	0.7
89.03918	0.4
91.03965	0.7
91.05475	4.1
94.04182	3.3
95.04956	0.9
97.02890	5.8
99.04458	1.0
102.03543	0.2
103.05454	0.8
105.03349	0.2
105.04501	0.4
105.07010	0.3
107.04951	3.0
107.08528	0.2
109.02896	1.5
109.06508	1.8
112.03967	0.3
115.03938	0.2
115.05469	1.4
116.06224	0.6
117.03345	0.5
117.06953	0.3
119.04946	1.9
121.06513	0.3
122.03645	9.0
123.04435	0.7
124.05152	0.6
127.03919	2.4
128.06216	2.2
129.07011	1.7
131.04926	1.2
131.08588	2.1
132.67140	0.2
133.06543	0.6
136.05202	0.4
137.05972	100.0
138.06287	1.4
141.06976	1.6
142.07729	0.4
143.04962	0.3
143.08542	1.0
144.05679	2.2
145.05019	1.2
145.06404	1.1
147.04459	0.4
147.40254	0.3
149.05974	3.3
151.03903	0.7
151.07539	8.9
153.05486	0.6
153.06964	0.5
155.04907	0.3
155.06046	0.4
156.05690	6.2
157.06477	1.4
158.07272	0.9
159.08055	4.2
160.05167	0.3
161.06009	0.9
163.07520	0.5
167.07031	7.7
169.06465	1.4
169.07704	0.5
170.07239	2.7
171.08029	1.4
172.05200	0.8
173.06012	1.2
174.06750	0.7
175.07549	1.4
177.05507	0.3
178.07840	0.4
181.06374	0.3
181.08615	0.4
184.05206	1.2
185.05931	0.5
186.06737	0.9
187.07532	8.5
188.08426	0.5
189.05486	0.5
189.07008	0.6
189.09081	0.7
190.06261	0.4
190.07809	0.6
191.06918	0.4
191.08595	0.5
193.08578	1.4
198.06798	1.0
199.07521	2.1
200.08238	0.3
201.05418	0.4
201.09143	1.5
202.06221	1.8
202.07887	0.6
203.06958	0.5
203.08568	1.3
203.10320	0.3
204.07817	0.7
204.96280	0.2
205.06688	0.6
205.08580	4.4
206.07278	0.8
207.08080	0.5
214.06287	0.3
215.06990	1.9
215.08694	0.6
216.07776	1.1
217.08588	21.2
218.07286	0.9
218.09157	0.5
219.08011	1.1
219.10196	1.8
220.08836	1.0
221.09695	1.3
223.07489	0.4
224.08257	0.2
231.08049	1.2
231.10144	11.6
233.05974	0.4
233.09676	1.5
234.06712	1.1
235.07494	1.5
235.11076	0.3
237.09087	0.6
238.09949	0.4
239.07024	0.3
241.08549	0.9
243.08038	0.3
245.09676	0.3
246.06757	0.6
247.07483	1.1
247.09677	5.6
248.08229	1.7
249.09109	2.4
250.06293	0.3
251.06989	0.8
251.10791	0.3
252.07945	0.5
252.11319	0.4
256.99591	0.4
259.07477	0.5
260.08383	0.7
261.09097	2.0
262.06216	0.4
262.09848	0.4
263.07025	1.1
263.10641	2.3
264.07883	0.3
265.08633	0.8
266.09418	0.6
267.10141	0.3
269.08084	0.4
275.06952	0.2
275.10727	0.4
276.07776	0.5
277.08554	2.1
278.06250	0.3
278.09189	1.2
279.06555	0.7
279.10065	0.6
280.07321	0.3
280.10980	0.4
281.08215	0.3
281.11728	0.9
285.07596	0.4
288.07626	0.2
289.08475	0.7
291.07031	0.4
291.10138	2.1
292.10886	0.4
293.08142	0.7
293.11649	1.7
294.08902	0.3
295.09567	0.8
295.13278	0.8
300.09933	0.5
301.10690	0.7
306.08890	0.3
307.09573	1.2
308.06940	0.2
308.10303	0.6
309.11142	2.6
311.09204	0.6
312.10349	0.2
313.10693	0.6
321.11157	2.2
322.02936	0.2
323.09103	0.9
323.12726	1.8
325.10641	0.7
326.11472	1.4
327.12241	1.0
338.11493	0.9
339.12198	0.8
340.13040	0.4
341.13831	2.8
353.13815	8.3
355.15393	12.1
356.15839	0.5
371.14835	5.1
373.02127	0.4
391.03320	0.4
452.98056	0.9
470.98892	0.3
533.20233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.4
56.96562	37.1
67.05496	13.7
69.03426	48.2
69.07074	3.8
69.22611	19.7
69.23013	6.0
72.58448	4.2
75.35365	3.8
79.05490	9.8
81.03407	18.7
81.07044	15.0
82.94560	7.1
83.04978	31.9
84.96025	5.1
88.07626	4.4
91.05501	22.7
93.07063	20.0
95.04945	6.0
95.08611	14.2
98.97591	48.1
104.04676	4.3
105.07018	22.7
107.08586	11.1
109.06506	5.5
111.04451	50.4
112.04749	5.4
114.97725	3.7
116.98602	46.3
117.06986	9.9
119.08573	24.7
121.10139	11.0
124.03961	14.2
125.04312	6.8
131.08548	18.9
133.10130	8.4
134.99593	24.6
135.11697	5.4
140.00136	5.3
142.07759	9.7
143.08560	11.5
145.10143	30.6
147.11687	9.0
149.02304	11.0
155.00243	4.9
155.08633	6.9
157.01698	5.7
157.10121	11.8
159.11673	14.4
161.01254	5.6
161.13295	7.2
167.08508	4.5
169.01755	6.4
169.10164	8.8
171.11656	8.9
173.13235	4.8
175.02788	8.4
175.14883	7.0
177.16472	5.4
185.13255	5.3
187.14815	17.8
193.04971	17.6
197.13278	5.8
201.12810	4.7
203.14243	5.5
205.15880	9.5
211.14749	5.4
256.26385	10.8
301.10974	6.3
319.12039	5.4
331.15067	7.4
341.14368	8.3
353.14160	16.5
359.15329	6.8
371.15219	29.9
389.16458	11.0
401.16196	11.2
413.16333	48.2
422.29340	4.4
431.17392	33.9
448.68582	6.0
449.18530	9.1
473.18301	27.8
491.19421	63.1
533.20441	100.0
533.26776	7.5
533.35626	20.3
534.20764	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	533.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.8
62.22221	1.3
64.43945	1.6
65.03932	1.7
67.05503	5.0
69.03430	22.1
69.33515	1.3
70.92546	1.4
70.92870	1.5
79.05495	4.8
81.03410	3.1
81.07054	5.7
83.04971	12.7
84.62391	1.2
91.05485	8.3
93.07053	4.5
95.04974	3.8
95.08605	3.9
97.02909	1.7
97.06549	1.6
103.05503	1.4
105.07003	10.3
107.08603	4.9
109.06467	1.4
111.03664	2.6
111.04440	53.6
113.06016	2.3
116.10207	1.4
117.07018	7.0
119.04951	2.2
119.08582	8.5
121.06490	2.3
121.10153	2.2
124.03944	2.0
128.06212	3.3
129.05510	4.3
129.07013	4.9
129.72792	1.2
131.04933	1.7
131.08577	20.8
133.06503	3.4
133.10120	4.6
135.08084	1.6
135.11722	1.9
141.06989	1.9
142.07787	2.3
143.08594	8.9
145.10117	15.0
147.11702	2.4
149.13206	1.6
153.03088	1.3
155.08585	6.2
156.09326	2.3
157.06563	1.5
157.10107	6.7
159.11707	3.9
161.13309	2.1
165.07028	2.8
167.08582	3.9
168.09351	2.1
169.10172	3.1
171.11746	6.2
173.09619	2.6
173.13257	36.4
179.08612	1.8
181.10075	3.5
182.10721	1.7
183.11737	5.3
185.13251	2.2
189.12730	10.9
191.10683	5.3
191.14311	2.3
193.10182	2.5
195.11699	6.2
197.09650	1.5
197.13319	2.7
199.11273	2.4
201.12750	9.1
205.10144	1.5
206.10963	2.6
207.11607	1.5
209.13300	2.2
211.14754	2.0
212.65863	1.3
219.11865	2.0
219.13817	14.8
221.13316	4.7
227.10876	1.4
249.15158	1.8
265.15738	2.0
279.15820	2.0
283.16965	1.9
293.15427	1.5
311.16464	4.2
320.65811	1.4
329.17429	7.1
347.18488	2.9
389.19632	2.4
407.20615	42.4
445.16199	14.1
469.22141	1.6
533.21442	100.0
533.40112	29.9
534.21594	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	533.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02263	1.7
55.05513	5.5
57.03454	2.1
67.05492	6.9
69.03436	21.5
69.07064	2.8
70.92381	2.8
78.51852	1.8
79.05487	4.7
81.03403	4.4
81.07057	6.6
83.04974	14.4
85.02857	2.5
89.49758	2.2
91.05484	7.0
93.07041	7.1
95.04964	3.5
95.08613	5.4
105.07042	11.5
107.08579	6.2
109.06525	2.4
111.04443	44.3
113.06001	4.6
114.54214	2.1
115.05422	2.1
117.07024	8.5
119.08593	11.2
121.06496	3.8
121.10115	3.4
129.05463	5.1
129.07005	3.3
131.08556	20.9
133.06549	2.5
133.10129	3.7
143.08531	8.1
144.09183	2.3
145.10130	16.2
147.07980	2.5
153.06903	2.9
155.08578	6.6
156.09346	2.4
157.10149	7.6
159.08090	3.0
159.11688	4.0
161.09662	4.6
164.23087	2.1
169.10165	4.2
171.11696	9.5
173.13257	37.9
181.10147	8.1
183.11719	4.7
189.12769	7.7
191.10680	5.5
191.14394	2.9
193.10109	3.8
195.11743	4.4
196.50266	2.2
197.13203	2.4
201.12796	9.3
205.10170	3.5
208.08914	2.2
209.13312	2.4
217.12233	2.9
219.13762	11.1
221.13387	6.1
239.14296	3.3
247.14955	2.2
279.16095	2.4
283.17123	3.1
298.13257	2.1
311.16351	5.8
329.17502	10.1
347.18643	3.0
389.19308	4.8
391.08176	3.1
407.20654	49.0
408.08722	2.7
445.16296	10.7
473.16141	4.3
533.21393	100.0
534.21649	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	533.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
57.07078	0.4
64.01402	0.2
67.05490	0.5
69.18462	1.4
73.35883	0.2
81.07053	0.8
83.08660	0.3
91.05460	0.3
93.06978	0.2
95.08611	0.5
98.98461	100.0
105.07029	1.1
110.46503	0.2
111.81978	0.2
116.99490	2.5
124.03962	0.3
140.01056	0.4
155.04652	0.7
178.95039	8.7
184.21800	0.2
196.96112	4.9
211.10881	0.4
214.26488	0.2
229.04720	0.4
252.95076	17.4
309.01315	18.8
365.07553	1.4
533.27344	0.3
533.34448	0.6
541.76093	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	533.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53408	0.3
52.93823	0.4
53.03957	0.4
56.05031	11.0
56.29837	0.3
60.52749	0.3
61.01147	10.6
67.05515	0.4
69.03411	1.0
70.02947	0.7
70.45479	0.4
73.02905	0.6
79.05508	0.4
81.03419	2.1
81.07038	0.8
85.02865	0.4
86.09699	100.0
87.10030	1.1
88.03983	9.5
89.06016	0.9
91.05488	0.9
95.08578	0.5
96.04491	0.4
97.02870	0.6
98.02447	0.6
98.06042	7.6
100.03978	0.7
104.05322	26.9
107.04967	0.4
107.08569	0.5
109.02895	0.5
119.08585	0.5
124.03948	4.9
125.04323	1.2
131.04909	0.9
132.10213	1.7
133.02869	0.4
135.04407	0.5
138.09125	1.1
141.10217	1.9
145.02901	0.6
145.10112	0.8
146.06332	22.1
147.04404	1.2
151.03859	0.4
156.10158	0.9
157.10161	0.4
159.11446	0.4
162.06746	1.5
163.03897	1.0
163.07568	0.7
167.99220	0.4
168.00571	1.2
174.05832	21.9
177.05508	0.7
183.11330	1.9
184.09740	0.5
186.01678	0.7
201.12320	15.1
213.08566	0.4
228.88753	0.4
229.11816	5.8
245.18558	4.8
270.05197	16.8
271.05368	0.7
285.07556	26.9
286.07886	1.7
289.08487	22.4
290.08777	0.4
296.19824	0.7
313.18298	0.4
329.19421	0.5
342.20242	0.8
353.10275	1.0
356.16486	0.8
360.21506	0.8
374.17368	4.3
402.16989	3.0
533.28314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01890	1.3
55.05530	1.2
57.03447	2.8
58.06601	5.5
61.02929	3.7
67.05503	8.9
67.05815	0.8
68.05048	1.9
69.03423	9.6
69.07090	1.8
69.30920	1.2
69.31308	1.6
70.06590	24.6
71.04995	2.8
73.02407	0.5
73.02951	1.8
74.02469	2.7
76.07639	16.1
76.08057	0.8
79.05523	2.6
81.03429	3.9
81.07052	6.1
81.07439	0.5
82.06615	2.2
84.04523	0.9
84.08171	0.9
84.96085	0.6
85.02898	25.5
87.04493	1.8
91.03981	1.0
91.05495	1.1
93.07088	2.2
94.06595	0.7
95.05022	2.2
95.08597	0.6
96.08161	1.3
97.02885	9.8
98.23509	1.0
99.04498	1.9
99.08075	0.6
100.07651	1.6
102.05499	3.0
105.07024	0.9
106.06583	2.7
107.08582	3.0
108.08103	10.2
109.02905	3.0
109.10175	1.3
110.06029	4.3
112.07590	0.7
117.07011	0.7
120.08128	1.2
121.10181	1.1
122.09654	10.2
122.10410	0.7
123.11740	1.7
124.07645	2.0
124.11258	0.7
125.09673	1.8
127.03902	7.0
128.07068	10.8
130.08632	15.6
131.05031	0.9
131.08646	0.7
133.05057	0.6
134.06041	1.1
134.09712	0.8
136.11256	0.7
137.06020	1.5
142.08679	2.3
145.04973	4.7
148.11287	0.8
149.09656	1.9
151.03928	1.3
152.07013	1.5
152.10703	4.6
153.09160	1.2
156.10201	0.9
166.12228	0.8
168.10187	69.6
169.10612	2.5
170.08185	0.8
170.11758	11.1
176.14319	6.6
178.08640	1.4
178.15961	2.6
182.11740	15.8
184.13402	0.9
190.02328	0.8
192.10303	0.7
194.11833	2.5
194.15370	6.6
198.70084	0.6
208.17029	0.8
224.16449	2.6
226.69981	0.7
236.16425	25.9
237.16817	1.3
238.18002	27.4
239.18390	1.2
242.17413	3.6
254.17496	23.5
255.17924	1.1
308.95908	0.6
329.14102	0.6
344.17062	3.4
355.15393	0.7
357.00259	1.0
371.25183	2.9
374.97839	1.5
395.09644	1.0
403.17294	0.8
416.22751	100.0
417.23056	8.3
473.28568	2.3
533.12378	7.0
533.30646	29.6
534.31085	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	534.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	62.3
69.76758	0.8
69.77103	2.0
70.06583	0.8
72.96020	0.6
74.97591	0.8
83.97633	0.9
84.08139	1.0
86.12746	0.8
120.08094	2.0
121.03043	0.6
144.96829	0.9
153.83321	0.6
165.02138	1.1
166.08685	1.4
167.03801	1.2
176.03815	10.5
178.05382	22.5
179.00146	0.7
181.01698	1.2
183.03281	5.1
192.03241	1.1
192.55617	0.6
194.04858	5.8
196.06435	18.2
201.04327	5.2
204.03313	5.1
208.02792	1.6
222.04349	46.0
223.04709	1.3
226.03856	1.5
240.05400	44.3
241.05814	0.8
277.37845	0.7
329.39536	0.7
351.10168	3.4
364.70975	0.7
369.11172	100.0
370.11563	4.0
387.12186	14.1
410.13644	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.7
57.07077	1.3
58.99571	6.4
63.31710	1.1
65.03932	1.4
67.05499	13.9
69.07071	11.4
70.02948	3.9
71.04982	3.5
74.00652	2.1
76.02216	2.5
79.05489	13.3
81.07053	28.4
83.04977	6.4
83.08601	2.8
85.06554	3.6
86.00646	11.8
86.99031	1.5
87.04462	3.2
88.02219	19.1
88.03989	50.1
89.06029	5.2
91.05476	13.7
93.07035	19.2
95.04958	2.4
95.08601	22.3
97.06520	6.7
99.08047	2.4
100.02218	4.0
103.03927	6.2
105.00101	3.2
105.07021	27.6
107.08590	19.0
108.04483	1.3
109.06512	3.0
109.10142	11.4
111.04522	1.2
111.08075	2.2
115.05482	2.0
115.07545	1.3
116.01697	4.2
117.07015	7.5
119.08570	19.5
120.01056	1.3
121.06503	4.5
121.10135	11.2
122.02727	12.3
123.08057	2.5
123.11684	6.2
126.03754	3.0
129.07019	5.7
130.04950	1.6
130.59970	1.3
131.08549	20.9
131.09457	1.8
132.01144	24.2
133.08633	2.5
133.10114	13.5
134.02649	7.4
135.08046	5.6
135.11662	9.4
137.04199	4.1
137.09598	1.9
141.07014	2.3
142.07767	3.1
143.08543	11.7
145.10124	26.4
146.02719	2.7
147.08072	2.0
147.11687	13.1
149.04225	1.6
149.09624	4.0
149.13266	7.1
151.05777	5.2
151.07556	2.1
153.07077	1.2
155.08563	4.3
156.09341	4.9
157.10132	16.8
159.11700	14.8
161.09578	4.3
161.13272	5.7
161.16382	1.6
162.02295	2.1
163.07571	3.5
163.11195	3.2
163.14851	2.0
165.09213	1.4
165.12894	1.4
168.09373	1.3
169.10136	6.3
169.12369	1.4
170.10959	2.3
171.11665	16.9
172.04227	1.7
173.09651	2.2
173.13254	19.7
175.11183	2.7
175.14810	4.5
177.07439	1.4
177.09108	2.9
177.12807	1.5
179.05373	1.6
181.10275	1.8
182.10896	2.1
183.11667	6.2
185.13232	13.7
187.14752	6.7
189.12762	3.8
191.10625	1.7
191.14264	2.1
195.11739	1.5
197.13211	6.4
199.11172	5.7
199.14807	7.0
201.12784	3.0
201.16313	1.9
203.10645	2.8
203.14230	1.5
205.10463	3.2
205.12312	1.8
207.12073	1.6
211.11433	1.6
211.14824	5.9
213.12711	2.2
213.16351	2.2
215.10690	2.7
217.10477	2.0
217.12259	10.8
219.13829	1.8
224.38791	1.3
225.12822	1.5
225.16347	2.9
227.17970	5.6
229.12152	3.4
229.15770	1.5
231.13881	2.3
233.10007	1.5
243.13892	2.6
253.19580	8.3
255.21042	5.0
271.20572	10.9
273.22086	3.5
274.12619	2.0
281.19086	1.6
288.13644	1.4
289.21637	9.7
291.23273	2.0
299.20102	15.9
305.19305	7.0
306.24445	2.1
307.22687	5.8
315.17587	1.4
317.21021	10.9
323.20291	9.5
333.18918	3.9
335.22269	3.1
349.18347	1.9
353.23575	1.3
367.19717	1.3
369.20792	1.4
374.21576	5.3
392.22568	4.7
402.20691	3.0
410.23511	26.6
412.25449	6.1
420.22073	10.6
438.22968	23.8
456.24118	100.0
457.24487	4.9
474.25165	22.5
475.25726	1.8
516.26245	17.8
517.24768	2.6
534.27148	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	534.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70663	0.7
59.04996	100.0
61.53981	0.7
68.77264	0.8
69.68288	2.6
71.05022	0.7
73.06551	2.9
81.26504	0.7
87.04460	12.1
87.04944	1.1
89.06023	81.9
90.06358	0.7
103.07571	80.4
107.07106	0.9
117.09164	2.8
131.07056	2.8
133.08591	51.6
135.10158	0.7
138.87352	0.8
147.10143	37.9
148.93573	0.8
175.09724	1.5
177.11206	19.4
191.12915	2.2
221.13953	3.3
235.15327	1.0
265.16653	1.1
287.05460	4.2
309.19250	0.8
473.29605	1.3
517.32147	5.8
534.34821	2.4
535.21448	14.9
535.28656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.5
57.03436	6.3
57.07074	9.6
61.02944	4.5
67.05499	75.9
69.07061	21.4
71.04970	3.7
71.08637	6.3
79.05513	24.2
81.07049	100.0
81.07505	7.0
83.08613	17.2
85.02889	6.0
85.06551	4.0
85.10170	5.5
86.09725	16.2
91.05479	17.9
93.07015	24.9
95.08601	74.9
97.06535	6.3
97.10165	11.0
99.08081	3.8
104.10735	56.1
105.07034	42.1
107.08591	13.0
109.10141	39.1
111.08079	4.3
119.08590	13.0
121.10131	24.3
123.11691	19.7
133.10104	19.4
135.11679	10.3
137.13219	7.5
147.11697	12.9
149.13225	9.4
151.14909	4.3
155.14308	4.7
161.13263	14.1
163.14824	6.4
165.16414	9.6
175.14818	12.9
179.17996	6.2
245.22629	50.1
263.23657	75.1
264.23856	5.6
337.27332	56.7
355.28946	3.8
368.28052	3.5
462.40173	3.4
475.21970	9.0
534.29083	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	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	27.6
57.03413	4.0
57.07066	11.9
67.05503	82.7
69.07068	27.3
73.60636	3.5
79.05482	22.1
81.07054	100.0
83.08611	15.4
85.02917	4.7
85.06529	5.6
85.10175	4.1
86.09726	7.7
87.95052	3.9
91.05486	15.7
93.07036	23.3
95.08608	77.1
97.06538	4.7
97.10188	10.1
99.08136	4.7
100.15192	3.8
104.10720	19.1
105.07019	14.0
107.08591	16.8
109.10165	45.0
111.11741	4.5
111.36257	4.9
114.73755	3.8
117.06003	3.6
119.08585	12.4
121.10122	27.5
123.11693	20.2
133.10133	15.6
135.11703	12.1
137.13199	8.6
144.85925	3.6
147.11681	10.4
149.13240	10.2
151.14828	8.1
155.14246	4.4
161.13248	22.4
161.91939	4.2
163.14818	8.2
165.16403	11.7
175.14836	13.0
179.17911	7.9
184.07326	8.7
245.22668	63.7
251.10416	4.1
263.23703	91.7
337.27252	39.1
375.97162	3.8
466.91342	3.7
475.20947	4.1
536.47333	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	534.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.4
65.03943	6.1
67.05503	43.7
69.07071	20.4
69.27009	20.8
79.05487	48.3
81.07059	88.5
83.08622	5.0
86.31472	3.4
91.05484	49.2
93.07039	65.1
95.04969	54.8
95.08598	56.9
105.07025	100.0
107.08598	68.8
109.10156	36.6
111.30594	3.9
117.07011	18.9
119.08571	72.8
121.10138	42.1
123.11686	7.0
124.03939	14.3
127.47215	3.3
129.07074	4.9
130.07817	6.7
131.08566	34.6
133.10132	45.9
133.72551	3.1
135.11665	20.1
142.07774	5.0
143.08554	14.2
144.09329	3.6
145.10127	40.2
147.11688	28.6
149.13249	16.4
157.10188	18.2
159.11667	40.1
161.13235	18.4
163.14774	9.3
171.11653	7.9
173.13239	11.5
175.14825	11.4
185.13271	7.8
187.14809	9.1
189.16364	7.1
199.14813	9.2
201.16423	8.8
203.17903	3.7
213.16475	6.0
215.17929	8.2
217.19316	3.9
227.17926	4.4
229.19435	5.7
243.21048	5.3
253.19731	3.6
337.28912	5.0
449.02292	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	535.1081
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03941	0.3
55.01859	0.5
55.18312	0.2
56.39339	0.2
57.03442	0.3
61.02910	0.2
68.99780	0.6
69.03432	1.2
69.55418	0.6
70.06596	0.2
71.04999	0.2
73.02924	0.3
76.63467	0.2
81.03416	2.0
85.02902	2.3
86.09701	0.4
87.00829	1.4
87.04472	0.3
91.05476	0.6
96.04504	0.2
97.02887	1.0
97.96280	0.2
99.04435	0.5
105.01851	0.7
109.02876	1.2
117.01846	0.4
117.03371	0.3
119.04940	2.6
120.08090	0.2
121.02876	1.0
123.00814	0.6
127.03918	1.7
129.07002	0.2
131.04962	0.2
137.06004	0.2
141.01816	0.2
145.02812	0.9
145.04959	0.5
147.04361	0.3
156.19243	0.2
157.06473	0.2
159.02907	0.5
169.01328	2.8
173.12938	0.2
177.01863	0.2
177.05467	0.7
213.05424	0.3
231.04970	0.3
239.09309	0.2
241.04919	0.4
245.04489	0.2
269.04428	0.4
287.05484	100.0
288.05829	3.1
299.05991	0.6
341.13776	0.3
374.57907	0.2
434.11459	0.2
454.06918	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	535.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23685	0.1
53.03942	0.2
55.41882	0.1
57.03416	0.2
59.05002	1.4
60.79912	0.1
68.99791	0.2
69.03417	1.2
77.81454	0.1
81.03404	0.9
85.02888	1.2
87.00803	0.8
87.04447	0.3
89.06024	1.0
91.05475	0.7
95.01316	0.5
97.02891	1.9
99.04423	0.4
103.07582	1.1
105.01877	0.2
109.02856	0.3
117.03366	0.2
119.04176	0.2
119.04941	3.4
121.02875	1.0
123.00787	3.7
127.03904	0.8
133.08585	0.4
141.01819	0.4
145.02867	0.9
145.04890	0.4
147.04431	0.3
147.10139	0.2
151.00233	0.2
153.01801	0.2
157.06474	0.3
161.05937	0.2
164.71524	0.2
169.01309	2.0
177.05504	0.8
185.05937	0.3
213.05452	0.5
223.03976	0.2
228.46713	0.2
231.05000	0.3
241.04948	1.0
245.04430	0.4
269.04404	2.0
287.05472	100.0
288.05786	3.0
299.06110	0.3
336.93988	0.2
535.21918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1085
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03941	0.4
55.01862	0.3
57.03427	0.2
59.03057	0.1
60.47081	0.1
61.02922	0.1
65.03953	0.1
68.99789	0.3
69.03425	1.1
69.98592	0.2
69.98934	0.1
71.04989	0.1
73.02910	0.2
81.03412	1.1
85.02901	1.8
86.09677	0.2
87.00822	0.9
91.03951	0.1
91.05464	0.4
95.01310	0.5
97.02885	0.6
98.23347	0.1
98.38225	0.1
99.04457	0.3
105.01844	0.3
109.02869	0.7
109.54935	0.1
113.95162	0.1
117.01817	0.2
119.04932	3.1
121.02856	1.1
123.00784	3.6
127.03918	1.0
129.01790	0.1
131.04938	0.1
141.01796	0.3
145.02815	0.2
145.04964	0.4
147.04370	0.1
151.00238	0.3
157.06459	0.2
159.02916	0.5
169.01299	2.1
177.05420	0.1
185.05894	0.1
213.05432	0.3
223.03894	0.1
231.04865	0.1
241.04939	0.9
245.04449	0.5
259.06055	0.1
269.04382	2.0
270.04825	0.1
284.98764	0.1
286.04617	0.2
287.05466	100.0
288.05798	3.4
535.21484	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	535.1083
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01864	0.2
59.85655	0.1
61.58476	0.1
65.03935	0.1
68.99777	0.4
69.03432	0.6
69.75253	0.3
69.75603	0.2
71.01348	0.2
73.02907	0.1
81.03401	0.5
85.02889	0.6
87.00819	0.2
91.05476	5.2
95.01354	0.2
97.02862	0.3
103.05448	0.2
105.01812	0.1
107.04922	0.2
109.02830	0.2
117.03367	0.2
119.04934	2.5
121.02841	0.8
123.00772	0.5
124.29051	0.1
127.03902	0.6
131.04880	0.5
135.04405	0.2
145.02788	0.2
145.04872	0.1
147.04344	0.1
151.00191	0.2
159.02974	0.2
163.03889	0.5
169.01315	27.1
170.01607	0.4
177.05449	0.5
185.00813	0.3
187.03894	0.4
241.04979	0.3
245.04550	0.4
250.53659	0.1
257.08066	0.2
259.06027	0.5
269.04428	0.2
271.05984	0.2
285.03995	0.2
286.04523	0.2
287.05475	100.0
288.05814	3.4
299.05954	0.1
335.11569	0.1
349.03430	0.1
449.10571	0.3
491.11414	0.2
499.10013	0.3
535.10809	4.6
536.11249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1081
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03935	0.4
55.01871	0.5
57.03431	0.1
61.02906	0.2
61.89100	0.1
67.01855	0.4
68.99767	0.6
69.03417	1.0
70.06606	0.1
70.53652	0.2
71.04991	0.2
73.02908	0.2
81.03407	1.6
81.03851	0.2
81.07060	0.2
85.02898	1.9
87.00824	1.3
88.17714	0.1
89.03945	0.1
91.03977	0.2
97.02894	0.6
99.04428	0.5
102.74354	0.1
105.01869	0.4
107.04942	0.1
109.02876	1.0
117.01822	0.1
127.03893	1.4
129.01822	0.5
135.04402	1.6
137.02327	0.4
145.04930	0.4
147.07672	0.2
149.05914	0.2
153.01802	4.7
154.02205	0.1
159.02896	0.8
161.02350	0.4
171.02873	0.4
171.06476	0.1
177.05455	0.1
179.03363	0.3
209.08084	0.1
213.05496	0.1
219.06451	0.2
241.04950	0.5
245.68085	0.1
269.04309	0.4
287.05453	100.0
288.05795	3.1
299.05859	0.2
317.12454	0.1
456.23767	0.2
457.24344	0.3
535.23706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1449
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.58577	0.6
51.91202	0.5
53.03937	2.0
55.01868	2.2
57.03432	1.1
57.68126	0.6
58.78448	0.6
61.02916	0.8
61.03285	0.6
66.26964	0.6
68.99797	1.8
69.03432	5.4
69.35928	3.0
70.62052	0.6
71.04984	1.0
73.02918	1.1
77.52219	0.7
81.03419	6.0
81.27637	0.7
84.02090	0.6
85.02905	11.4
87.00826	5.9
91.05482	0.9
91.63593	0.7
94.51710	0.7
97.02892	4.9
99.04451	3.0
103.05480	3.7
105.01847	2.8
109.02882	5.5
112.01579	2.0
117.01857	1.1
127.03046	0.8
127.03923	9.0
129.01840	1.3
131.04912	11.1
137.02359	0.9
140.01064	1.9
141.28433	0.7
145.04941	2.8
159.02866	5.0
168.00536	28.7
169.01303	0.8
177.05489	0.7
179.03517	0.9
181.01364	0.6
182.02104	1.0
183.02888	94.7
184.03189	1.3
186.01588	15.4
195.02913	1.4
201.03886	1.7
207.02930	1.9
211.35242	0.7
216.40926	0.6
216.79048	0.6
221.04523	1.2
225.03957	7.3
245.08054	0.9
247.75009	0.6
249.03995	2.5
254.05818	0.7
272.06757	1.4
287.09122	100.0
288.09567	2.9
291.04935	1.8
300.17514	0.7
311.09155	1.7
329.10150	1.3
353.10098	0.8
395.06238	1.6
413.07437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64353	0.4
53.03944	1.1
55.01855	1.4
57.03411	1.0
61.02914	0.9
63.74879	0.4
68.99778	1.5
69.03425	4.7
69.71915	1.9
70.06573	0.6
71.04969	0.7
72.68871	0.5
73.02905	1.4
81.03424	4.3
84.02115	0.7
85.02901	10.2
87.00834	3.7
91.05434	0.9
95.01339	0.6
97.02888	3.8
98.23371	0.7
99.00794	0.6
99.04449	2.1
103.05447	4.7
105.01852	2.8
107.04961	0.6
109.02885	6.0
112.01577	1.2
117.01815	0.7
127.00274	0.5
127.03921	6.7
129.01903	0.6
131.04922	10.6
137.02335	0.6
140.01060	1.7
145.04924	3.0
151.03845	0.6
155.03404	0.7
159.02902	4.3
161.06041	0.5
167.05450	0.7
168.00537	21.6
169.01295	0.6
173.05940	0.5
177.05417	1.2
177.72816	0.5
182.02107	0.5
183.02890	77.1
184.03212	1.1
185.99919	0.9
186.01588	14.9
195.02856	0.8
201.03944	10.5
207.02766	0.8
209.04401	0.6
221.04460	1.6
225.03946	5.6
231.04968	1.0
245.08047	0.6
249.03857	1.1
270.05157	2.0
271.05646	2.3
272.05908	1.7
273.03833	1.0
285.07596	2.8
286.07849	2.3
287.09128	100.0
288.09482	2.8
291.05042	2.1
293.04123	1.5
299.06131	1.3
311.09192	1.1
329.10312	1.5
353.10117	2.4
377.10300	0.7
395.11047	3.2
521.12408	0.6
535.15198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.16648	0.6
63.02364	1.0
67.90399	0.5
68.99776	1.8
69.03425	11.0
70.68179	0.7
70.68519	1.0
73.04736	0.6
78.04705	0.5
78.11723	0.6
79.05486	0.7
81.03392	0.7
85.02879	1.1
89.03899	7.1
91.05427	4.7
95.04977	1.2
97.02902	1.4
99.04453	0.7
100.11239	2.5
103.05457	8.0
105.03408	0.9
105.04500	0.6
107.04938	1.8
109.02876	1.7
115.05442	3.0
117.02566	1.1
117.03378	18.7
119.04934	4.4
123.00730	0.7
126.35088	0.7
127.03913	6.0
129.06978	1.0
131.04919	22.5
133.02852	2.3
134.03575	1.5
135.04375	2.8
137.05968	4.8
143.04916	2.6
145.02834	51.2
146.03238	1.0
147.04413	4.9
149.05974	8.7
151.03900	1.4
151.07520	0.6
152.06088	0.6
155.04926	0.9
161.02316	0.7
161.05991	2.2
162.03215	0.6
163.03918	2.1
165.05573	0.7
167.05539	0.7
169.01337	2.9
171.04390	1.8
173.06006	1.3
175.03882	2.0
177.05457	100.0
178.05804	2.0
179.07022	1.8
182.15419	0.9
183.04369	1.0
185.05914	0.9
186.05502	0.7
187.03870	10.4
187.07567	0.8
189.05389	0.8
193.04976	1.7
195.06554	0.7
197.05931	1.1
201.05429	7.7
203.07025	0.9
205.04999	0.7
209.00728	0.9
210.14882	0.9
211.03975	0.8
213.05505	1.0
215.07063	0.8
225.05431	1.7
229.05029	1.5
231.02872	0.9
231.06488	2.0
233.05925	0.7
233.08018	1.1
239.03329	2.2
241.05022	4.2
256.35504	0.7
257.04431	8.9
259.05988	4.8
261.07599	1.3
262.21555	0.8
265.04913	0.7
265.08551	0.8
267.06494	3.2
281.04385	3.5
283.05945	0.9
285.00833	0.5
285.03909	11.2
287.05484	14.9
288.05780	0.6
299.06067	2.5
305.07797	0.7
309.03876	11.8
321.09628	2.7
323.05423	1.7
325.10568	4.1
327.05029	1.7
337.10641	2.2
351.05063	0.7
355.11823	3.0
363.05240	1.1
377.03015	5.7
378.02951	0.7
381.05606	1.5
393.05652	0.7
395.03928	2.4
481.09164	9.0
499.10156	5.0
521.33679	0.7
534.43372	2.0
535.43597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2092
Annotation	Maculalactone J
Peak:m/z	Relative Intensity
51.53907	0.3
55.08847	0.3
55.27467	0.3
57.20685	0.3
59.04995	0.9
61.33107	0.3
69.07053	0.4
69.47215	0.7
69.47604	0.6
73.04763	0.6
79.05495	0.5
81.07044	0.6
85.37510	0.3
85.81921	0.3
91.05838	0.7
95.08581	0.5
104.10837	0.4
105.07030	1.5
117.01852	0.6
121.06510	0.8
139.01506	0.6
147.08055	0.5
167.05580	0.9
287.05399	0.5
299.06113	1.6
347.14319	0.4
535.20880	100.0
536.21173	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	535.2151
Annotation	Thr Tyr His Asp
Peak:m/z	Relative Intensity
69.07341	3.0
70.06601	1.3
84.04527	0.5
86.09685	0.8
87.04459	4.6
91.05808	0.9
98.22705	1.1
110.07158	0.5
117.03413	0.6
120.08112	1.7
121.02853	1.4
137.05942	0.6
138.05705	0.5
145.02823	1.2
167.05568	0.6
177.05499	1.9
213.68683	0.6
220.91885	0.5
278.04190	2.2
280.03912	2.0
287.05487	4.9
299.06186	1.7
330.78769	0.6
535.21497	100.0
536.21979	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	535.215
Annotation	piperaquine
Peak:m/z	Relative Intensity
53.26432	0.3
69.49446	1.6
78.67786	0.4
83.01067	0.3
103.05447	0.4
105.07038	0.3
130.73239	0.4
131.04956	0.5
133.53818	0.3
138.02864	0.4
167.03136	0.7
169.04723	0.6
187.07288	14.1
188.08028	0.5
190.05032	0.4
220.30502	0.4
227.05286	1.3
231.10072	0.6
246.97330	0.3
271.04309	1.0
286.15314	2.1
287.16165	13.7
299.06238	0.8
315.15634	2.3
333.12592	0.4
337.08813	1.7
350.13379	0.7
351.13760	0.4
377.11826	0.6
392.14233	0.5
400.06573	0.4
431.20496	1.0
449.21454	8.7
450.22147	0.3
491.22467	27.5
492.22824	1.1
520.06024	0.4
535.21478	100.0
536.21631	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	535.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83324	0.3
51.58521	0.4
54.18064	0.4
59.04995	8.6
63.67642	0.4
68.99747	0.5
69.03382	1.5
69.53918	1.9
70.06541	1.8
70.06886	0.4
73.06517	0.5
76.30495	0.4
81.03381	1.2
81.07014	0.4
81.48652	0.4
85.02852	1.5
86.09675	0.5
87.00785	0.9
87.04475	2.6
88.04780	0.4
89.06021	7.2
90.06322	0.6
91.05391	0.7
91.05856	0.5
94.46323	0.4
95.01286	0.5
97.02877	2.4
103.05618	0.4
103.06953	0.4
103.07568	5.9
104.07858	1.0
105.01870	0.5
109.02821	0.6
110.07142	0.7
110.10459	0.4
116.12566	0.5
117.03358	0.4
119.04927	3.8
120.08080	0.9
121.02848	2.0
123.00790	3.8
127.03864	1.2
130.28741	0.4
133.08578	3.7
134.08888	0.5
137.05930	1.6
141.37053	0.4
145.02798	1.6
147.04352	0.8
147.10130	2.4
167.05534	1.1
167.07031	1.1
169.01331	1.9
177.05434	2.5
177.11157	1.5
241.04935	0.9
269.04434	2.8
273.11267	1.0
287.05469	100.0
288.05756	3.7
299.06104	1.8
331.11752	0.5
535.21545	59.7
536.22070	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	535.2305
Annotation	Kadsuphilol D
Peak:m/z	Relative Intensity
55.05518	0.3
67.05493	0.4
69.85548	1.0
69.85893	0.4
73.04760	0.5
79.05479	0.5
91.05827	0.6
105.07027	0.8
107.08574	0.4
124.03970	1.1
145.10086	0.4
167.05591	1.0
207.13654	0.3
223.14330	0.3
283.02997	0.5
299.06140	2.3
309.18344	0.4
353.17163	0.5
413.19345	3.4
433.55856	0.4
475.21231	0.5
535.22986	100.0
536.23254	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	535.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07046	0.3
59.90990	0.3
67.05452	0.4
69.07024	0.4
70.06569	0.3
73.04728	0.4
81.07027	0.5
87.04407	0.3
88.07598	0.5
89.05981	0.4
91.05800	0.5
93.07015	0.3
95.04911	0.3
95.43775	0.3
105.07008	0.9
106.03587	0.3
107.08508	0.4
116.36808	0.3
119.08566	0.5
121.06438	0.4
121.10038	0.3
135.08047	0.3
145.10075	0.3
154.42955	0.3
157.10167	0.3
167.05574	0.6
173.13239	0.3
176.93401	0.3
181.10101	0.4
187.68205	0.3
200.39578	0.3
203.14253	0.5
219.17407	2.5
256.26340	2.4
257.26639	0.8
264.08942	0.4
272.33020	0.3
287.05515	0.6
299.06210	1.5
315.19516	2.1
355.18781	8.4
356.19366	0.3
415.20880	100.0
416.21252	4.6
524.22064	0.4
527.60120	0.3
534.45282	1.7
535.22980	27.7
535.45233	1.6
536.23352	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2749
Annotation	Staphylionoside G
Peak:m/z	Relative Intensity
67.05499	4.0
69.03407	2.4
69.07058	2.4
81.07051	3.9
83.05003	2.4
85.02898	2.3
90.63769	1.6
91.01539	1.4
91.05466	1.8
93.07024	1.3
95.08600	9.0
96.85296	1.5
105.07066	2.9
107.08602	6.7
109.06505	2.4
109.10155	25.8
109.50170	1.4
117.60579	1.7
119.04946	2.6
119.08588	10.5
121.10141	4.1
123.00789	2.9
123.08065	3.3
123.11599	1.7
127.03847	1.8
130.97684	1.5
133.10139	6.6
135.11690	26.8
137.09599	5.6
149.13329	2.0
151.11168	2.5
151.14825	2.6
153.01859	3.4
175.14807	12.7
193.15866	19.2
211.16922	30.5
267.91251	1.5
269.04193	1.6
287.05481	100.0
288.05789	2.5
299.06067	1.9
333.10739	1.5
435.72186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07386	0.9
55.01867	1.0
56.05017	0.9
60.35961	0.9
61.02896	1.0
64.78957	1.0
69.03419	5.7
70.06571	2.0
70.58882	1.9
72.08144	1.6
73.02870	0.9
73.04749	8.4
81.03403	4.5
84.08137	4.6
85.02901	8.0
86.09689	1.7
87.00818	2.2
89.03905	4.2
91.05811	15.2
95.05039	1.1
96.11540	0.8
97.02889	5.8
99.04431	1.8
102.05555	0.9
105.01857	2.2
109.02894	2.2
114.03674	1.0
115.03963	1.2
117.03372	12.5
118.03681	1.1
120.08027	2.0
121.06515	1.9
127.03895	4.6
129.10222	1.7
133.04912	1.5
134.03592	1.5
135.04425	1.0
145.02840	42.8
145.04910	2.0
146.03242	1.2
147.72620	1.0
149.04459	3.2
149.05949	5.1
163.03900	2.3
167.05536	15.5
177.05452	100.0
178.05792	2.9
186.87228	0.9
187.07513	1.2
191.72719	0.9
195.06520	1.5
201.79236	1.0
225.04306	3.9
227.02249	1.1
233.01518	0.9
239.09468	2.1
243.72923	0.9
256.22723	1.3
266.99854	4.3
281.05057	1.9
283.03049	4.4
287.05441	2.5
288.05743	5.4
299.06131	29.3
300.06183	1.1
314.27988	1.0
321.09677	4.9
339.10681	8.4
344.97644	5.8
359.02783	2.9
415.03741	6.0
438.40720	1.2
498.60657	1.1
503.10287	1.4
521.67432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94511	1.0
53.03943	6.8
55.01873	7.6
57.03437	8.2
58.42073	1.0
59.05033	1.0
59.81895	1.2
61.02909	7.0
62.65812	1.1
66.26501	1.1
68.99789	3.5
69.03066	2.2
69.03426	39.1
69.44122	2.5
69.44516	3.0
70.06585	1.4
71.04979	4.3
73.02912	7.7
73.04749	2.5
76.08192	1.2
81.03413	26.4
85.02901	100.0
87.00827	52.9
87.04443	2.0
91.03936	2.4
91.05457	23.0
97.02889	53.5
99.04465	13.9
105.01865	75.3
105.07030	2.8
109.02872	33.9
115.03944	3.2
117.01861	3.6
117.03370	2.1
121.06483	1.3
125.02417	1.5
127.03909	78.9
129.01802	3.6
133.06517	2.4
145.02901	6.0
145.04941	40.3
146.03146	1.6
147.02921	2.9
147.07709	2.1
159.02885	13.8
161.05969	5.1
167.05548	3.2
167.07024	2.9
176.55537	1.1
177.05450	9.6
178.05917	2.5
189.03900	3.2
193.08586	4.0
213.03874	7.8
231.04988	34.4
249.06036	12.2
253.07059	3.5
271.08109	2.1
287.18362	1.1
299.06140	8.0
326.50726	1.2
344.97488	1.5
365.53635	1.3
450.69431	1.4
470.42276	1.5
498.63867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13152	1.2
53.03946	2.8
53.93938	1.1
55.01878	3.1
55.05510	2.8
57.03432	2.9
61.02930	4.3
61.36041	1.3
69.03436	12.6
69.31732	4.9
71.04993	35.7
73.02913	3.2
73.04739	1.3
75.04481	1.8
77.78339	1.4
81.03419	7.9
81.33475	1.4
83.04980	23.0
85.02905	51.4
87.00826	14.6
87.04482	4.7
91.05476	61.2
97.02884	13.2
99.04462	4.2
101.06027	1.5
105.01182	1.2
105.01862	28.1
109.02882	13.6
111.04434	40.4
111.05170	2.4
113.06012	18.7
115.03895	2.6
117.05459	7.7
119.04900	2.1
127.03915	30.2
129.05478	60.2
133.06390	1.3
145.04965	10.7
151.03926	1.6
151.07529	13.1
159.02864	4.1
167.05559	2.9
171.06549	26.1
171.07959	1.6
175.07457	1.7
178.05855	1.6
181.06483	1.9
189.03923	4.0
189.07574	100.0
195.06465	1.8
199.07471	1.6
213.03972	2.5
217.08586	3.0
231.05032	8.3
249.06110	3.7
299.06125	6.7
302.53122	1.4
321.09772	1.9
339.11081	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	536.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01466	2.0
53.03941	6.8
55.01865	6.0
57.03435	15.4
59.04998	2.6
60.04525	2.2
61.02918	6.2
64.11295	2.1
68.99812	3.7
69.03425	68.0
69.03802	3.5
69.45110	7.0
70.06631	2.0
71.04988	5.8
73.02903	8.8
73.04761	6.0
81.03416	29.8
83.01359	2.6
83.04978	3.1
83.49864	2.1
84.04509	4.2
84.66764	2.0
85.02901	100.0
85.95503	1.8
87.00828	41.5
87.04471	11.8
89.03912	3.0
91.03925	2.4
91.05408	25.5
95.04952	3.0
96.62211	2.1
97.02888	73.6
98.23509	3.8
99.04436	14.7
102.24206	2.2
103.03925	4.7
105.01154	3.5
105.01855	57.5
109.02886	30.4
111.04430	3.9
115.03913	23.0
115.05566	1.8
117.03365	6.6
121.06476	11.7
127.03910	84.6
129.01775	2.7
129.05463	2.3
130.04996	8.1
131.04929	4.9
131.08655	2.6
133.04939	11.8
133.06467	4.0
145.02849	20.1
145.04945	40.1
145.06357	3.8
147.02882	2.8
147.04399	2.4
147.07631	5.4
149.04459	2.6
149.05942	4.5
150.07567	12.3
150.48169	2.3
159.02922	12.3
161.05998	4.1
163.07555	6.8
167.05553	11.7
167.06888	3.3
177.03941	3.4
177.05461	40.7
177.43423	2.3
178.05782	6.5
183.02843	2.3
187.07515	8.5
189.03911	11.1
193.08551	3.7
205.04874	3.1
205.08586	7.0
211.09602	2.4
213.03859	6.5
217.08690	3.8
225.04211	4.0
229.08632	6.5
231.04976	27.4
241.06947	3.4
247.09648	6.4
249.06081	13.0
283.03024	4.0
299.06198	26.1
310.10492	2.6
327.07083	4.9
333.09369	2.3
339.10730	2.1
344.97604	6.0
345.08066	3.4
358.52899	2.2
359.02832	2.7
369.11847	4.2
415.03671	3.0
430.59552	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	536.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.6
57.03416	2.4
60.56444	1.4
67.05492	4.2
68.68370	1.1
69.03426	14.9
69.07039	1.7
69.77595	3.5
70.06590	2.3
71.04984	2.4
73.04746	3.2
79.05503	3.7
81.03374	1.2
81.07066	5.7
83.04974	35.5
84.08140	1.3
85.02901	100.0
85.46316	1.3
86.09695	1.8
87.04464	3.6
88.03979	9.2
90.01804	1.6
91.05470	5.5
91.05894	1.9
93.07034	3.5
95.04916	1.5
95.08595	5.1
97.02894	1.7
98.23473	2.5
104.77351	1.3
105.07019	5.3
107.08573	4.3
109.10117	2.2
111.04436	24.6
117.07014	1.2
119.08590	5.8
120.08092	2.0
121.06501	2.7
121.10121	2.7
123.11677	1.3
124.02342	1.2
124.03942	4.6
127.03915	8.0
129.05475	17.1
129.06975	1.9
131.08572	4.5
132.01144	3.0
133.10089	3.2
134.00737	1.5
135.07983	1.7
135.11674	2.4
137.04681	2.2
143.08583	2.9
145.10088	3.4
147.07768	1.4
147.11679	2.2
149.04433	1.5
149.13339	1.5
149.71306	1.1
151.07559	4.2
157.10155	2.9
159.11697	1.7
165.06517	1.8
167.05608	5.7
169.10098	1.4
171.06519	81.0
171.11676	2.4
172.06821	1.4
173.13329	3.1
179.07164	1.4
185.13261	2.4
189.07567	53.9
199.15088	1.2
253.19528	2.4
261.11154	1.7
271.20560	2.5
273.21973	1.3
283.03125	2.9
299.06183	12.4
304.11761	1.5
333.11847	9.0
344.97437	1.6
366.37384	1.4
405.67999	1.3
412.23660	5.4
415.03598	2.2
422.22195	1.8
440.23169	5.1
458.24283	18.1
476.25980	9.0
518.26202	4.5
536.28455	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	536.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64960	1.7
55.05511	3.2
57.03429	2.2
60.36489	1.8
61.02923	3.6
69.03446	2.5
69.27670	12.7
71.04993	36.0
73.04783	2.4
73.55360	1.8
77.58067	1.8
83.04980	23.0
84.96311	2.0
85.02913	10.3
87.04450	5.8
90.84447	2.0
97.02876	3.6
98.23515	3.3
104.99380	1.9
111.04442	41.1
113.06009	14.9
115.03886	2.3
117.05491	9.2
119.04905	2.7
127.03931	2.1
129.05478	59.7
151.07561	13.1
163.43506	2.0
171.06519	24.0
189.07574	100.0
262.39865	2.2
299.06073	2.8
326.14020	2.4
369.45792	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	536.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41882	1.6
55.05500	2.2
65.68570	1.3
67.05499	3.2
68.97394	1.6
69.03424	1.5
69.07063	3.5
69.66430	5.2
71.04994	2.9
72.96841	1.4
73.04730	2.4
78.03461	2.9
79.05492	5.2
81.03419	5.4
81.07046	7.0
83.69277	1.3
91.05419	8.7
93.07031	6.5
95.04961	29.8
95.08611	2.3
97.02904	3.4
97.06509	3.5
103.02065	1.3
105.06995	10.4
106.02899	13.0
107.08604	5.6
109.06504	11.9
117.07019	5.0
119.08558	17.4
121.06490	5.1
124.03942	17.4
125.05966	3.7
129.06993	2.6
130.07724	3.9
131.08557	12.4
133.06508	1.5
133.10107	4.1
135.08031	3.4
137.05963	4.4
139.07535	2.0
142.07779	5.8
143.08530	9.0
145.10100	36.2
147.07983	2.8
149.09601	9.5
153.05470	11.1
153.06873	1.5
155.08510	7.2
156.09325	5.2
157.10088	18.5
158.10851	1.9
159.08012	4.0
159.11676	15.8
163.07463	2.0
165.05537	2.1
165.06969	4.2
166.07820	3.3
167.05553	3.0
167.07202	1.7
167.08498	7.5
168.09378	1.5
169.10107	10.8
170.10892	4.3
171.11649	8.6
172.12415	3.7
173.09599	12.7
173.13245	4.6
178.07753	1.9
179.07129	2.8
179.08559	10.6
180.09291	6.2
181.08575	20.0
181.10107	16.8
182.10918	3.3
183.11670	5.5
185.09729	3.6
185.13245	5.9
187.11220	5.3
192.09343	6.3
193.10097	21.5
194.10863	11.0
195.11678	12.8
196.12418	1.8
197.13220	10.9
199.11127	1.8
199.14775	3.0
200.12045	1.9
201.12735	2.6
206.10925	3.8
207.11659	15.2
208.12413	13.2
209.09636	1.8
209.13203	29.2
210.13794	2.2
211.11263	4.2
211.14821	3.1
213.12747	3.2
215.10728	4.0
217.10106	2.9
218.10889	1.9
219.11681	2.5
220.12503	3.7
221.13263	6.7
222.13857	3.2
223.11174	2.7
223.14777	30.6
225.12718	1.7
225.16490	1.6
227.10594	1.9
227.14363	2.9
232.12402	3.5
233.13252	6.3
234.14070	3.8
235.11172	3.5
235.14851	2.7
236.11891	4.7
237.12720	3.3
237.16307	4.1
239.10583	1.7
247.14839	7.8
249.16309	1.7
251.14236	21.4
253.12224	3.9
253.15874	4.6
254.13071	1.7
260.11801	1.9
265.15881	8.0
267.13531	2.0
269.15280	17.4
275.14175	2.6
283.03101	2.3
283.16907	3.3
293.15417	10.1
299.06094	9.0
311.16345	100.0
312.16785	4.0
329.17383	21.9
344.97556	1.9
347.17929	1.6
371.18451	2.2
374.57419	1.9
389.19321	1.9
399.21585	3.9
420.21552	3.0
536.20178	27.2
536.28284	15.1
537.20697	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	536.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59926	1.0
55.01877	1.0
55.05501	2.8
57.07079	2.0
57.08382	1.1
67.05497	5.8
69.07063	3.3
69.34419	5.9
70.06577	1.2
71.04987	1.4
71.08613	1.2
72.79742	1.0
73.04755	5.5
79.05499	5.7
79.44978	1.2
81.07053	5.6
83.04984	3.0
85.10178	1.2
86.09770	1.1
87.04449	1.7
87.73610	1.1
89.06021	2.9
91.05367	2.0
91.05798	9.8
93.07038	12.4
95.04945	5.8
95.08607	9.1
97.02908	3.7
97.06519	2.0
97.94430	1.1
98.22725	2.0
105.07029	17.8
107.08601	7.1
109.06568	1.0
111.08061	1.8
114.07291	1.1
117.07034	1.6
119.08582	17.3
121.06470	2.9
121.10146	3.0
124.03945	4.5
129.06982	1.4
129.09111	3.7
131.08566	4.0
133.10126	18.6
135.08075	2.2
135.11697	1.8
139.07584	1.5
142.07787	2.5
143.08577	4.1
144.09395	2.0
145.10123	14.8
147.11671	2.9
149.04482	1.7
155.07059	6.3
155.08495	2.6
156.09346	3.3
157.10109	9.0
158.10834	1.4
159.11710	15.3
161.13252	2.3
164.23283	1.2
165.07068	1.3
165.84131	1.1
167.05548	13.0
167.08592	2.2
169.10120	4.8
170.10892	8.2
171.11667	13.6
173.13280	3.6
175.11259	1.4
177.11281	1.6
179.08519	2.0
179.84587	1.0
180.09290	3.0
181.10089	2.7
183.11696	4.2
184.07297	2.3
184.12482	1.8
185.13268	12.1
185.84543	1.2
186.14001	4.3
187.14801	2.0
193.10185	2.3
194.10881	2.6
195.10103	2.4
195.11705	10.3
197.13246	5.3
199.14822	6.7
200.15399	1.2
203.14345	1.9
207.11731	3.7
208.12433	1.6
209.13290	3.6
211.14804	1.3
213.16331	2.7
219.17418	2.0
220.12469	1.6
222.14047	1.5
223.14911	2.4
225.04198	3.0
235.14836	3.7
237.12701	1.4
237.16364	10.7
239.09438	1.8
241.12019	1.6
251.18004	2.6
255.17464	2.8
266.99973	3.8
279.17410	3.7
281.05060	1.4
283.02963	2.8
297.18469	10.5
299.06180	22.4
300.06262	1.4
315.19522	100.0
316.19766	3.9
333.20590	4.1
344.97580	5.0
359.02679	2.4
415.03546	3.3
415.20953	3.2
416.21338	11.2
503.10724	1.9
536.23047	4.3
536.32068	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	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75832	0.8
56.05027	1.0
58.02420	0.8
58.06604	1.1
60.07870	1.1
60.08165	15.7
60.08466	1.3
67.05502	2.7
69.76884	2.9
71.07371	7.3
73.04753	6.5
79.05487	2.0
80.14581	0.9
80.97549	0.9
81.07079	1.8
86.09702	48.6
87.66990	0.9
91.05814	15.5
93.07041	1.7
95.08562	1.0
98.98456	4.4
103.05457	2.0
104.10737	100.0
105.03384	1.4
105.11103	1.0
125.00000	26.0
131.04913	4.3
134.60367	0.9
149.04454	2.3
167.05551	14.4
173.04536	1.1
178.99411	0.8
184.07330	94.6
184.94756	0.9
185.07643	1.0
223.06386	1.4
223.15614	0.9
225.04300	4.3
227.02281	1.3
239.09576	2.9
251.21519	0.9
266.99863	5.1
269.04428	1.1
281.04965	1.5
283.02948	5.1
299.06158	27.5
300.06183	2.2
334.08276	0.9
344.97510	6.3
345.97897	0.9
359.02664	2.5
405.05966	1.3
415.03534	4.9
416.03940	0.9
432.03357	1.7
433.05527	1.4
450.04272	1.4
500.31339	6.9
503.11005	1.8
518.32410	38.3
519.32544	1.6
536.10522	1.1
536.32593	0.9
555.04877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.2
57.07072	8.8
59.06401	1.1
64.90125	1.2
65.03922	1.2
67.05499	17.9
69.07063	29.8
69.35410	4.9
71.04984	2.3
71.08654	2.8
72.54718	1.3
73.04749	4.9
79.05482	12.5
79.97292	1.2
80.05003	1.3
81.07049	32.4
81.07503	2.1
83.04981	9.5
83.08614	18.6
85.10204	2.1
87.04439	2.0
89.06025	81.2
91.05482	12.1
93.07038	19.0
95.04975	7.6
95.08601	28.2
96.04503	2.1
97.06533	3.8
97.10173	15.7
103.05451	1.4
105.07018	36.5
106.02895	3.8
106.07365	2.5
107.07083	1.2
107.08587	15.1
109.06519	1.7
109.10146	16.3
111.11708	7.5
113.00027	3.7
117.07035	2.9
119.08565	16.6
121.06489	1.5
121.10141	10.3
123.08085	1.7
123.11723	4.7
124.03941	40.6
125.00029	1.3
125.09648	2.3
125.13210	2.5
129.06970	1.6
131.08554	6.3
133.08594	44.5
133.10088	13.9
135.11681	7.3
137.09631	2.4
137.13264	1.8
143.08575	1.5
145.10092	8.0
147.08017	1.3
147.11685	8.3
149.04468	1.6
149.13240	3.4
151.09694	3.3
151.11191	3.3
151.14859	1.6
155.08527	1.4
157.10075	1.8
159.11681	5.1
161.13249	5.8
163.10887	1.2
163.14775	2.6
165.12746	2.3
167.05557	8.9
171.11684	1.9
173.13243	3.8
175.14853	3.4
177.11171	8.0
179.14296	2.7
185.13322	1.4
186.54875	1.2
189.16396	2.6
193.15891	1.7
195.12326	2.6
201.16373	3.6
207.17490	1.5
221.13893	1.8
221.22623	1.5
232.86659	1.2
239.14873	100.0
240.15266	1.3
245.22719	11.7
263.23715	12.4
266.99789	1.7
281.24579	1.4
283.03226	1.7
299.06177	15.6
307.26227	2.9
344.97614	3.3
415.03970	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	537.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24232	1.1
53.03947	6.9
54.18399	1.0
55.01879	7.0
57.03430	2.5
61.02920	4.1
68.99792	4.5
69.03426	22.2
69.18544	7.9
71.01347	1.7
71.04980	1.2
73.02907	4.0
73.04777	2.0
81.03414	21.6
85.02905	41.1
86.09733	1.5
87.00828	19.7
91.03975	2.3
91.05841	1.7
95.01310	1.2
95.04990	1.3
97.02897	15.2
98.66979	1.1
99.04445	11.0
103.05422	1.1
105.01868	8.9
107.04963	2.9
109.02873	20.3
117.01889	3.0
118.36697	1.0
119.04929	6.5
121.06480	1.8
123.04471	2.0
127.03911	29.8
129.01880	2.7
137.05949	1.6
144.44997	1.2
145.04964	10.0
147.04404	27.3
147.05568	1.4
149.05945	1.9
153.01772	1.3
159.02882	13.2
167.05556	2.6
169.01314	73.3
177.05548	1.4
181.01253	1.7
181.78741	1.2
183.02766	1.2
187.02406	2.6
193.01366	2.3
199.02457	1.4
207.02831	1.6
209.08086	2.9
211.02367	12.1
230.53853	1.2
231.05023	5.0
235.02405	4.4
277.03464	3.4
289.07047	100.0
290.07361	2.3
299.06186	3.0
300.06241	4.4
331.08002	3.3
337.07703	1.3
355.07968	1.8
381.04315	2.7
455.75031	1.3
541.54205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65622	0.9
53.03952	6.3
55.01872	7.5
57.03426	3.5
61.02919	3.1
64.48740	0.9
68.99784	5.9
69.03071	1.5
69.03430	27.8
69.03803	1.8
69.23664	2.5
69.24074	2.5
70.06583	1.2
70.89647	0.8
71.01350	0.9
71.04986	3.5
73.02921	5.7
73.04743	1.8
81.03416	29.4
85.02901	52.1
87.00827	22.6
91.03957	1.8
91.05430	2.0
97.02888	16.5
98.23450	1.5
99.04449	9.8
101.75388	0.8
102.53265	0.8
105.01869	10.9
107.04939	2.8
109.02874	24.6
110.07094	1.1
117.01854	2.9
119.04934	5.1
123.00780	1.7
123.04491	1.2
127.03911	40.1
129.01842	2.9
137.05956	2.0
141.01836	1.6
145.02881	0.9
145.04958	13.9
147.03047	1.8
147.04398	21.3
151.03877	3.2
153.01826	9.8
159.02873	14.3
159.04176	1.1
163.03911	1.9
167.05519	1.5
168.05463	0.9
169.01318	59.4
170.01770	0.9
170.16847	0.9
171.02867	3.8
177.03941	1.1
187.02376	2.7
204.61201	1.0
211.02448	1.5
213.03914	1.1
231.04970	6.4
259.39966	0.9
287.05502	9.8
288.05756	8.4
289.07043	100.0
290.07382	2.6
299.05988	1.9
300.06265	3.1
331.07736	1.0
345.97568	1.1
492.00562	1.3
537.18842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01864	5.9
57.03423	4.4
61.02917	3.4
68.99783	3.7
69.03425	26.3
69.03796	1.5
71.04983	3.3
73.02902	3.2
73.04753	2.2
81.03416	25.6
85.02901	50.2
87.00341	1.7
87.00826	16.7
91.03932	1.5
91.05429	1.9
97.02880	15.0
99.04458	10.8
105.01855	14.3
107.04935	1.7
109.02876	21.6
117.01852	2.8
119.04919	5.3
121.06495	1.6
123.00830	1.5
123.04372	1.5
127.03915	35.1
128.04266	1.1
129.01848	3.2
135.04454	1.2
137.05992	2.0
141.01843	1.1
145.02901	1.1
145.04942	14.4
147.02872	2.9
147.04399	16.7
151.03955	3.0
153.01828	7.8
159.02887	14.9
163.03920	2.4
167.05557	3.1
169.01314	52.2
171.02892	3.3
179.03296	1.3
187.02425	1.8
199.52666	1.1
211.02397	1.6
213.03940	1.6
231.04878	6.4
287.05432	11.4
288.05859	7.4
289.07043	100.0
290.07303	2.8
299.06116	3.1
300.06308	3.0
345.97549	1.4
537.19299	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05511	2.1
58.04218	1.4
59.04997	0.9
67.05503	2.5
68.05033	1.3
69.03429	2.1
69.07069	3.1
71.04998	1.3
71.42925	0.7
73.02920	6.4
73.04751	1.8
73.06576	1.3
79.05499	2.0
80.05507	1.8
81.03415	1.2
81.07064	3.5
83.08625	1.3
84.04494	2.3
85.02898	2.4
87.00849	1.0
87.04469	9.7
89.06031	17.8
89.06538	1.2
90.06378	1.3
91.05804	3.0
92.05711	0.8
93.07059	1.3
94.06566	0.9
95.08611	2.9
97.02837	0.9
97.06515	0.8
97.10190	2.6
99.03319	1.0
101.06001	0.9
102.06801	2.4
105.01837	0.7
105.07037	2.9
107.08588	1.7
109.02908	1.2
109.10164	2.1
113.06026	0.8
117.09116	1.2
119.08588	1.6
121.02885	1.8
121.04543	1.4
121.10142	2.2
123.96223	0.9
124.08088	1.6
125.09592	0.6
127.01558	6.2
127.03923	2.4
129.06967	1.1
130.04976	2.0
133.08600	9.1
133.10121	1.8
134.08978	0.9
135.11702	1.5
138.05515	1.9
139.01575	1.4
143.05872	1.9
143.08572	1.4
145.10129	1.0
147.04413	1.0
151.14804	0.7
153.03084	8.1
157.10094	1.6
165.07146	2.0
167.05582	4.4
168.05551	1.4
177.11224	5.3
182.41623	0.7
187.08441	0.8
197.05743	2.0
217.19460	1.3
221.13789	0.8
224.06346	0.7
235.20522	3.1
239.09515	0.7
253.21669	4.8
255.09933	7.7
261.07355	1.8
267.99957	0.8
271.06042	1.1
271.22803	1.1
284.02914	1.1
287.05261	1.9
292.19006	0.8
299.06049	4.2
300.06201	4.4
305.06305	100.0
306.06699	2.4
323.07336	10.2
344.97592	0.9
345.97620	1.1
346.08832	1.7
416.03619	1.2
475.17148	1.5
493.18192	8.5
519.16571	2.6
522.18201	1.8
537.17139	57.3
538.17450	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	537.1969
Annotation	Phellavin
Peak:m/z	Relative Intensity
55.01873	0.6
69.03416	1.2
69.14275	3.7
70.06571	0.7
79.05508	0.7
80.40852	0.5
81.03413	0.8
82.39236	0.5
85.02913	3.3
85.30774	0.5
92.33836	0.6
97.02881	1.2
98.23462	1.0
99.04504	0.9
108.84698	0.5
109.02908	0.9
127.03934	0.7
151.03951	3.0
151.04935	0.6
167.05566	1.0
185.05997	1.1
199.07541	0.7
201.09109	1.2
209.09590	0.9
211.07581	1.1
222.10451	1.1
223.07501	0.9
223.11093	0.8
223.23889	0.7
224.10258	0.8
225.09273	0.7
229.08568	0.9
233.07838	0.7
237.09053	1.2
237.12894	1.3
241.12251	1.3
242.09306	0.7
247.11299	1.3
249.12839	0.7
250.09912	1.2
251.07007	0.8
251.10800	3.0
253.08595	1.6
255.10062	0.8
261.09207	1.1
265.08701	1.8
265.12234	4.2
267.13690	0.8
268.10971	1.4
269.08121	2.6
269.11700	2.3
270.08871	1.1
275.10669	2.3
278.09238	1.4
279.10040	3.1
280.10846	0.8
281.08072	2.0
282.08847	2.2
283.09695	3.8
283.13269	4.3
285.07501	1.6
293.11710	6.9
294.12393	1.0
295.13351	0.8
296.10397	7.8
297.11194	7.2
298.11713	0.8
299.05679	1.1
299.09061	0.8
300.06253	1.0
309.07608	2.0
311.09457	0.7
311.12735	18.5
312.13290	1.0
313.06924	1.0
321.11249	5.8
324.09964	2.2
327.08640	2.4
339.12289	9.7
341.10248	1.0
342.10947	42.9
343.11267	1.7
343.91049	0.8
357.13293	100.0
358.13602	3.5
375.14368	68.9
376.14703	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	537.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81870	0.4
73.04762	0.3
91.05791	0.5
94.11505	0.2
96.92106	0.2
102.28260	0.2
105.03394	0.3
116.65278	0.2
131.04927	0.3
141.85172	0.2
149.04575	0.2
157.80440	0.2
167.05574	0.5
185.04182	0.3
203.05284	0.8
212.97293	0.2
224.80382	0.2
258.55804	0.2
259.08005	0.4
276.06863	0.2
296.57709	0.2
297.99872	0.7
299.06140	0.8
300.06223	0.8
360.05005	0.3
383.76102	0.2
416.03741	1.0
503.58383	0.2
519.27643	0.3
520.10291	1.2
537.30298	100.0
538.30573	4.6
555.75580	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	537.3035
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
69.16067	1.5
69.16473	0.7
75.17542	0.3
91.05792	0.5
93.20151	0.3
99.23257	0.3
106.64406	0.3
117.94662	0.4
167.05728	0.4
185.04346	0.5
190.93639	0.4
197.90166	0.4
300.05902	0.5
375.01419	0.7
407.03934	1.8
474.98950	0.4
537.30322	100.0
538.09076	1.1
538.30585	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	538.1135
Annotation	(+)-Dynemicin A
Peak:m/z	Relative Intensity
59.79459	1.1
64.71765	0.9
68.99796	1.5
71.44087	0.9
73.04764	2.3
86.09724	0.9
90.83301	0.8
91.05795	4.1
103.05450	9.2
131.04924	17.8
149.04407	1.2
162.01854	1.5
167.05588	4.4
169.05272	1.3
171.04414	1.5
172.00328	1.9
174.01891	1.2
178.01331	1.4
184.07384	1.1
187.03932	4.5
191.72511	0.9
195.04448	1.2
202.01364	1.7
204.02988	1.4
214.01346	1.8
215.87885	0.9
218.00763	6.0
232.02391	5.1
234.05751	1.0
239.03433	3.1
242.00815	3.4
248.07048	1.2
250.05099	1.3
254.00945	1.0
255.98672	1.7
260.01892	1.8
262.05023	3.5
270.00284	1.6
273.99826	6.4
276.06519	2.5
278.04648	1.1
288.01407	2.4
290.04456	7.5
292.00854	14.8
297.99780	10.2
299.06180	3.7
300.06241	2.2
301.05981	4.1
304.06009	8.3
306.85892	1.1
316.00858	15.5
318.03995	13.4
332.05518	22.6
334.01868	15.1
336.08716	1.5
344.05499	1.4
346.03580	4.7
348.04984	1.0
350.06146	1.1
350.10214	1.9
360.04968	22.8
372.04880	1.2
388.04468	6.9
402.06018	4.5
406.09378	1.1
416.03983	74.7
417.04102	2.8
420.06808	5.0
433.98907	1.9
434.05002	39.6
435.05005	1.9
452.06204	10.4
505.11111	1.1
520.10229	100.0
521.10583	3.9
528.20837	0.9
538.10150	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	538.1133
Annotation	(+)-Dynemicin A
Peak:m/z	Relative Intensity
56.29443	0.5
67.05449	0.6
68.99735	1.5
69.52669	1.8
70.06542	0.5
73.04691	1.0
75.24137	0.5
81.07005	0.8
91.05725	1.7
92.01328	0.6
93.11122	0.6
98.23409	0.7
103.05460	3.2
103.78045	0.5
105.03307	1.6
105.06984	0.8
119.08499	0.8
131.04907	6.9
145.26224	0.5
146.02263	1.1
149.02216	0.9
158.47685	0.5
167.05478	1.9
168.05586	0.9
171.04352	2.4
174.01817	1.3
178.01227	1.0
186.01877	1.1
187.03876	3.0
192.02817	1.3
193.04915	0.8
202.01384	3.6
204.02930	0.6
209.13200	0.6
214.01268	1.9
218.00751	1.4
226.01324	1.3
227.99286	3.0
230.00764	0.7
232.02371	2.2
234.05330	1.0
235.14757	0.8
239.03435	1.0
239.07042	0.8
241.04849	1.1
242.00908	2.6
248.01981	0.7
248.06903	1.0
254.00688	0.8
255.98723	3.5
260.01941	1.3
262.04968	1.0
264.06512	0.7
269.04303	1.4
270.00223	1.7
270.04840	1.5
271.05853	0.8
272.01727	1.4
273.99792	2.2
276.06735	1.3
284.29507	0.6
288.01443	1.0
288.06577	0.8
290.04495	3.8
292.00891	3.2
292.06039	2.0
297.99786	52.4
299.00082	1.6
299.06046	2.0
300.06262	1.3
301.05984	2.6
304.06012	5.0
313.17926	1.8
316.00839	19.4
318.04004	4.0
332.05518	12.3
332.17889	0.9
333.18289	1.1
334.01703	2.6
344.05527	0.8
346.03394	1.9
360.04947	11.3
372.04874	0.9
375.07007	0.7
388.04480	13.7
388.09219	1.1
389.05209	0.7
402.06021	6.7
403.06464	0.8
406.05548	1.3
416.03949	72.8
417.04218	2.9
418.05475	0.6
420.06995	2.1
434.05026	11.7
452.05975	0.8
478.08929	1.0
519.27258	1.1
520.10229	100.0
521.10559	4.8
538.10944	9.7
538.28857	0.8
538.37286	1.8
539.11908	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22462	0.6
54.28636	0.5
56.35685	0.6
67.05512	1.0
68.99790	1.7
70.55858	0.9
73.04759	1.1
91.05841	1.0
95.04987	1.2
95.08606	0.6
102.02130	0.5
103.05457	5.2
103.54807	0.5
105.03382	1.1
105.07006	0.9
119.08578	2.5
128.06236	0.6
131.04929	9.4
141.05539	0.6
146.02431	1.6
147.04489	0.8
155.07079	0.9
162.00406	0.6
164.03352	0.7
167.05557	1.5
171.04463	1.9
173.13341	0.6
174.01855	1.0
178.01369	1.1
183.11789	0.6
185.13171	0.8
186.01807	0.9
187.03929	2.5
192.02885	1.1
197.13268	0.9
202.01379	4.6
206.06102	0.7
212.03543	0.7
214.01372	2.7
218.00879	1.6
220.12640	0.8
226.01398	1.2
227.99300	3.7
232.02448	1.6
235.14746	1.7
239.03354	1.3
239.07045	1.9
242.01004	2.8
244.02374	0.9
248.07111	1.1
254.00844	1.0
255.98737	3.7
260.01962	1.9
262.05038	1.4
270.00284	2.0
270.04971	0.8
272.01962	1.2
273.99811	3.4
276.06592	1.3
278.04492	0.7
282.07883	0.6
288.01425	1.1
288.06580	0.7
290.04556	4.0
292.00757	2.9
292.06119	1.6
296.05475	0.9
297.99823	57.7
299.00168	1.8
299.06165	2.0
300.06332	1.1
301.05972	2.5
304.05951	5.1
313.18085	3.4
316.00873	19.5
318.03998	4.0
320.05478	0.6
332.05524	14.2
332.09381	1.1
334.02060	1.8
336.08292	0.9
344.05597	0.7
346.03442	2.0
360.04993	12.6
362.10223	0.8
372.05118	1.2
376.08224	0.9
388.04507	14.9
400.04291	1.0
402.05960	8.3
403.06570	0.7
416.03989	75.7
417.03983	3.4
420.07181	2.9
434.04941	12.5
434.10507	0.9
452.06018	0.9
478.09073	0.9
488.61835	0.7
516.25751	0.7
520.10260	100.0
521.10547	4.9
538.10809	9.1
538.29449	0.7
538.37463	1.1
539.11615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.113
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99776	1.2
69.11293	1.5
71.01314	0.2
77.00249	0.4
91.05397	0.3
92.01328	0.3
92.99715	0.5
95.01262	0.3
103.05412	0.8
105.03381	1.2
106.03707	0.3
118.02861	0.4
131.04932	1.2
136.03871	0.3
139.00220	0.4
146.02351	2.7
147.04338	1.0
164.03383	0.9
170.02242	0.3
171.04320	0.9
172.00211	1.4
174.01826	1.6
178.01309	0.5
183.04378	0.3
186.01830	0.4
187.03879	8.3
190.01286	0.7
192.02782	0.3
194.06015	0.3
195.04350	0.8
198.01823	0.4
199.99803	1.9
202.01392	1.2
204.02853	0.6
206.05951	0.4
210.05476	1.0
210.48946	0.2
211.03877	0.8
214.01363	2.4
217.98807	0.4
218.00833	3.8
220.07614	0.5
222.05492	2.6
223.03816	0.5
226.01300	0.4
227.99228	1.0
230.06052	0.4
232.02377	4.1
232.07484	0.4
234.05461	0.6
236.06934	0.6
238.04791	0.3
239.03357	1.7
241.04924	0.9
242.00816	3.0
246.05435	0.7
248.07002	1.1
250.04887	1.3
254.00827	0.9
254.04318	0.3
255.98813	0.8
258.05444	0.4
259.99536	0.3
260.01794	1.6
260.07086	0.7
262.04971	0.9
264.06525	0.7
269.04483	1.1
270.00348	2.1
272.01834	0.5
273.99789	8.7
274.04480	0.4
276.06607	1.9
278.04340	1.9
286.04843	0.5
288.01361	1.4
288.06549	0.5
290.04507	2.7
292.00842	9.9
292.06064	0.9
293.01321	0.4
296.05783	0.4
297.99768	8.7
304.06021	4.1
306.04138	1.2
314.04388	1.0
316.00836	16.9
317.01248	0.5
318.03915	1.1
320.00879	0.2
320.05545	0.4
324.05026	0.5
332.01532	0.5
332.05508	8.0
334.01892	10.5
336.05106	0.3
342.04025	1.1
344.05417	2.3
345.05994	0.4
346.03394	1.1
360.04971	8.7
364.04834	0.4
370.03482	0.8
372.05026	0.9
374.02777	0.9
388.04495	20.4
389.04602	0.8
392.04144	0.5
398.03192	0.5
402.05716	0.7
406.05344	0.6
416.03967	56.6
417.04239	2.2
420.07083	10.4
421.07294	0.4
434.05032	9.6
450.09714	0.5
492.10797	2.6
497.84967	0.4
520.10229	100.0
521.10547	5.0
538.03595	0.4
538.11053	2.4
539.10114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1134
Annotation	(+)-Dynemicin A
Peak:m/z	Relative Intensity
61.82003	0.4
68.99751	0.7
70.37277	1.0
70.92506	0.4
86.01311	0.4
103.05422	0.9
118.02784	0.4
120.07554	0.4
124.61787	0.5
131.04868	1.5
146.02371	0.9
160.13744	0.4
171.04341	1.9
172.00250	1.2
174.01848	0.8
187.03909	2.5
195.04504	0.7
199.99745	1.3
202.01251	2.1
204.02892	0.6
206.05806	0.4
210.43785	0.4
214.01320	1.6
218.00861	3.1
222.05429	0.7
227.99228	1.3
232.02382	2.5
236.06969	0.6
239.03358	2.2
242.00836	3.3
246.05522	0.7
248.07039	1.1
254.00848	0.7
255.98709	1.8
260.01755	1.4
260.06937	0.8
262.04971	1.7
270.00397	2.2
272.01797	0.6
273.99829	6.7
276.06522	1.8
288.01331	1.2
288.06461	0.9
290.04462	7.1
292.00839	6.8
297.99808	29.6
299.00146	0.8
299.06012	0.6
304.06024	5.1
306.03983	0.8
316.00851	14.9
316.06116	0.7
318.03955	7.8
332.05496	15.4
333.05911	0.9
334.01904	7.5
344.05609	0.7
346.03433	2.9
348.05063	0.8
359.04086	0.5
360.04996	17.4
361.05414	0.6
372.05014	1.2
374.03021	0.6
388.04483	6.9
402.06012	7.2
406.05295	0.7
416.03976	92.2
417.04260	4.1
420.07236	2.2
434.05042	17.7
435.05359	0.7
452.06091	8.0
478.08929	0.8
520.10254	100.0
521.10675	4.9
538.11285	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	538.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	13.7
55.01863	7.6
58.16065	1.1
67.01863	1.9
68.01385	2.4
68.99456	1.3
68.99763	5.6
70.02943	2.1
73.04760	2.1
82.02950	1.8
83.01333	2.3
83.03721	3.4
91.05794	4.8
92.99739	1.6
97.93288	1.2
98.02415	1.8
103.05456	12.3
103.06028	1.4
105.03381	2.4
105.07074	1.3
110.02419	3.9
111.03178	6.6
112.14401	1.1
126.01875	1.9
131.04915	33.1
136.03935	1.6
137.02301	3.2
137.60768	1.1
138.01852	28.5
139.02650	3.8
141.01828	5.4
146.10373	1.2
150.01851	12.5
152.03426	2.5
153.01819	19.5
156.02904	2.2
165.00439	2.9
165.01828	54.4
166.01337	32.8
167.02135	56.5
167.05507	3.0
168.02913	94.1
169.01297	7.0
171.02925	1.7
178.01340	85.6
179.01744	3.4
179.03374	2.8
180.02989	4.8
183.02876	43.6
184.02370	11.0
185.03194	37.0
188.03464	2.0
196.02400	58.0
197.05959	2.1
206.00861	3.9
216.02895	1.7
220.02420	1.8
225.05415	15.5
227.07013	1.9
234.03963	5.3
242.08095	8.5
244.02501	2.6
254.08160	4.7
255.06694	2.5
256.02493	1.6
256.07034	3.3
257.08060	34.4
269.08069	100.0
270.07599	42.2
271.05396	1.5
271.08368	41.3
282.07587	97.0
283.08008	5.0
284.01816	2.2
297.99857	4.3
299.06262	2.3
300.06268	2.9
301.05844	4.9
312.01398	5.4
320.09320	2.1
330.02377	8.1
346.97394	1.8
348.03442	3.4
348.07901	1.7
416.03036	2.0
416.07684	5.4
417.03360	2.4
434.08792	20.1
452.09842	2.1
520.13586	6.0
538.15088	20.6
538.35175	2.1
550.38879	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	538.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	0.7
70.44197	0.6
73.04765	2.0
74.64612	0.7
91.05829	1.2
103.05462	4.4
105.03384	1.3
110.02397	4.2
124.04018	0.7
131.04913	17.7
131.05882	0.9
138.01833	3.6
139.19025	0.9
150.01860	1.6
152.03441	3.5
153.01819	33.3
156.02911	1.1
164.25673	0.7
165.01831	7.9
166.01376	3.1
167.05563	2.0
168.02852	0.9
168.93228	0.7
169.01335	1.5
176.03368	0.7
178.01352	14.9
178.02786	1.3
183.02910	3.6
184.02278	0.9
192.02950	3.1
196.02394	11.7
220.02367	6.6
238.03471	1.0
241.04913	1.1
244.02574	0.7
246.00333	2.1
257.08017	4.3
260.01865	0.9
260.74713	0.7
264.01318	1.4
282.07559	7.5
285.03122	1.1
288.01334	11.9
288.04324	0.9
295.45276	0.8
297.99731	3.7
299.05984	3.3
300.06323	1.2
301.05951	4.2
306.02435	9.1
316.00952	1.3
324.08444	1.1
330.02451	10.2
348.03391	0.9
392.07614	6.2
410.08630	21.6
411.09293	0.8
416.03760	4.1
434.08755	29.4
435.09317	1.2
520.10150	4.7
538.14948	100.0
539.15344	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	538.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.7
53.03929	0.7
55.01861	1.0
55.32960	0.5
66.16845	0.4
67.01888	0.5
68.99774	1.3
69.75529	1.7
73.04751	1.0
77.03928	0.6
79.05458	0.7
81.03408	1.1
91.05826	0.6
95.04948	3.3
97.45877	0.5
102.04655	0.7
103.05465	48.8
104.10701	0.6
105.03412	0.8
105.04496	1.2
107.04955	1.3
108.04496	0.5
109.89771	0.5
110.02386	1.2
110.06036	0.7
115.05446	2.1
117.07002	0.9
122.02325	0.7
129.07037	0.7
131.04919	100.0
132.05246	1.5
136.03946	2.1
138.01855	0.6
140.03418	1.3
146.02341	0.6
148.03981	0.6
155.46674	0.5
160.03981	0.6
162.01831	3.7
164.03487	2.3
165.04297	0.8
165.07039	0.6
166.01335	0.5
166.04997	4.4
167.05528	0.7
172.00287	0.5
174.01900	1.1
176.03458	1.5
178.01329	3.8
178.04919	0.9
182.04495	0.6
184.07289	1.1
187.03943	2.1
188.03403	0.7
190.01405	1.1
190.05037	0.6
192.02927	3.1
193.03616	0.6
194.04514	0.7
197.06036	0.7
199.03915	2.1
200.03571	0.7
202.01381	0.6
202.05099	0.8
204.02957	1.9
206.04547	0.9
208.02466	1.1
210.03955	6.0
211.04659	0.7
211.07625	0.7
213.05424	1.0
214.01303	0.7
216.03008	0.6
217.03571	0.5
218.00929	1.0
218.04436	5.4
220.02611	0.6
222.03897	0.8
228.02869	1.3
230.00919	1.2
230.04573	2.1
232.02338	2.9
234.03899	4.4
239.03473	0.9
239.04430	0.6
239.06989	8.5
241.05013	2.3
242.00801	0.7
244.02455	1.5
246.03947	9.9
246.06137	0.8
248.02017	2.0
258.04099	2.0
260.01950	4.6
268.01083	1.3
272.01868	1.4
273.99747	1.1
274.03592	0.9
282.07626	2.4
286.03537	2.0
290.04535	1.1
292.00885	3.0
297.10104	2.2
297.99890	4.7
298.10690	1.0
299.06299	0.7
301.06107	1.7
302.02905	1.2
304.06119	2.2
316.00812	4.2
318.04099	1.9
332.05624	3.5
332.09183	1.1
334.01852	3.5
334.10831	1.8
336.08685	6.5
337.09085	0.6
338.10220	2.6
344.05710	0.9
346.03320	0.9
346.97461	0.6
348.08948	1.7
350.10190	19.0
351.10614	0.6
360.05142	2.8
360.08990	0.9
362.10220	5.7
376.08173	3.3
378.09964	2.6
388.04056	3.4
388.08850	1.1
390.09824	4.0
402.06110	0.9
403.10571	1.1
406.09256	13.2
407.09854	0.5
408.11017	1.5
416.03888	19.4
417.04221	1.2
420.07236	1.5
434.04541	4.4
452.06473	1.7
464.15292	0.8
478.69077	0.6
492.14890	2.8
510.15613	2.0
520.09845	24.2
521.11414	1.2
538.15167	25.3
539.16125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02364	0.7
53.03929	0.6
55.01860	1.2
67.70377	0.3
68.99774	0.9
69.12172	2.3
74.43876	0.4
77.03900	1.0
79.05468	0.7
80.05003	0.6
81.03400	1.6
86.09679	0.5
91.05394	0.5
91.05833	0.5
95.04958	3.4
98.22700	0.8
102.04682	0.5
103.05457	46.7
104.05831	0.5
105.03403	0.9
105.04494	1.3
105.07008	0.6
107.04926	1.0
108.04457	0.9
110.02394	0.6
115.05441	1.5
117.07011	0.5
120.04490	0.9
121.02942	0.4
124.03889	0.6
129.07030	0.8
131.04915	100.0
132.05243	1.7
136.03928	2.5
138.01816	0.7
140.03421	1.4
141.06969	0.6
143.04907	0.6
148.03947	1.3
150.05502	0.8
154.01346	0.5
154.04968	0.5
155.04944	0.6
155.08572	0.8
156.03018	0.4
160.04010	0.5
162.01846	4.2
162.05507	0.6
164.03380	2.6
165.01935	0.4
165.04292	0.6
166.01367	0.6
166.04970	4.2
167.05530	0.7
168.02904	0.6
172.03952	0.4
173.06030	0.8
176.03450	1.1
178.01334	3.1
178.04930	0.8
180.02934	1.2
182.04433	0.6
184.07344	1.2
188.03314	0.5
190.01364	0.7
190.04889	0.5
192.02908	2.4
193.03720	0.9
194.04521	1.2
196.02356	0.5
197.05920	0.6
199.03889	1.7
201.86357	0.4
202.04979	1.1
204.02988	1.9
205.01295	0.5
206.04446	0.9
208.02446	0.5
210.03946	6.0
211.04628	0.4
211.07686	0.6
213.05508	0.9
218.04460	5.6
220.02429	0.6
221.06067	0.5
222.03943	0.7
228.02994	1.1
230.04485	2.2
232.02408	1.5
234.03955	3.9
239.06992	8.4
240.03023	0.6
240.07388	0.4
241.04990	1.5
244.02487	1.4
246.03955	10.5
248.01813	3.2
250.03485	0.5
256.02350	0.6
258.03885	2.6
260.01923	4.5
262.03268	0.4
264.05127	0.6
267.06314	0.4
272.01871	1.2
274.03430	0.4
276.05020	0.5
278.03104	0.5
282.07529	2.4
286.03366	2.2
296.09232	0.6
297.09921	2.2
297.99796	1.2
298.10825	0.8
299.06229	0.6
301.06140	1.0
302.03012	1.1
305.05774	0.4
316.00995	0.6
319.04343	0.8
322.10529	0.5
332.05508	0.5
332.09201	1.3
334.07355	0.6
334.10687	2.0
336.08606	6.0
338.10077	2.5
346.07199	1.0
348.08701	1.1
350.10193	15.7
351.10449	0.5
360.08768	1.0
361.09531	0.4
362.10162	5.3
362.14392	0.5
364.08194	0.5
376.08212	3.1
378.09497	2.2
388.04041	0.5
388.08511	1.7
390.09711	4.6
403.10651	1.5
406.09189	11.4
407.05838	0.7
408.10870	1.2
416.03900	1.7
416.08463	0.8
417.04034	0.6
426.13205	0.9
434.09094	0.8
437.77850	0.5
464.14868	0.9
478.12698	0.5
479.13620	0.6
492.14606	3.2
508.03842	0.4
510.15543	2.1
520.13843	3.9
521.11694	0.5
538.15009	23.5
539.15448	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	538.174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82744	0.8
53.03946	1.5
55.01862	2.2
65.03924	3.2
67.05481	0.9
69.03442	1.0
70.68761	1.4
74.56598	0.7
75.04459	3.4
77.03924	1.2
78.04699	3.4
79.05480	2.3
81.03429	1.3
81.07026	1.1
85.02908	3.3
89.03918	2.8
89.06015	1.4
91.05463	25.8
93.03402	11.6
93.06553	0.7
93.07050	7.2
95.04958	7.4
97.06535	2.7
98.22790	1.0
103.05441	7.3
105.07044	1.8
106.04166	25.8
107.04942	3.5
108.05743	1.0
109.06499	1.9
111.04414	0.8
117.03362	1.2
118.04158	2.9
119.04930	9.1
121.02888	1.4
121.06505	28.2
123.04420	2.3
125.05981	8.1
131.04929	6.2
132.05707	4.9
133.06499	1.1
134.03598	4.5
135.04424	2.3
135.08109	1.0
136.05222	5.7
137.05948	8.3
139.07474	2.3
141.43192	1.0
145.02856	1.5
146.03651	1.4
147.04388	3.5
148.05154	4.0
149.05971	44.9
150.06374	0.9
151.07544	10.5
153.05431	1.3
153.09096	11.2
154.06229	1.2
159.08000	0.9
160.05177	1.3
161.05974	1.8
162.01318	1.3
163.07568	3.2
164.04683	2.4
165.05479	2.1
166.06244	0.9
167.05643	1.4
167.07019	13.5
177.05469	27.8
179.07031	7.7
180.07784	3.6
181.08582	22.1
182.09366	4.3
191.07021	7.9
192.07845	11.2
207.06514	18.5
207.08484	1.4
209.08070	100.0
210.08757	5.6
223.04198	7.8
224.33324	1.0
251.10672	2.4
270.32870	1.0
299.06155	1.8
301.05997	1.2
311.12747	3.2
369.13095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01867	6.4
55.05503	3.5
57.03433	18.7
59.04993	2.7
60.04510	3.5
61.02925	6.1
68.99786	4.4
69.03065	4.7
69.03427	79.7
69.03801	4.6
70.06594	7.0
70.32205	4.2
71.04984	4.0
72.08161	3.0
73.02916	7.7
73.04748	4.4
74.06055	2.3
75.04431	2.6
81.03414	34.3
83.04967	7.3
84.08151	6.0
85.02898	100.0
86.09702	3.0
87.00829	34.6
87.04472	21.2
91.05799	6.5
95.04969	3.3
97.02888	87.1
99.04438	14.0
101.25203	2.5
103.03961	7.7
105.01866	44.9
109.02866	36.8
110.07153	5.2
111.04446	9.5
115.03924	34.8
117.01855	3.4
123.04435	4.1
127.03909	68.5
129.01854	4.8
129.05486	3.8
129.10283	4.6
133.02859	7.8
133.04971	25.1
135.04346	2.3
137.05989	2.9
139.03883	6.1
141.05463	5.1
145.04951	40.7
147.02878	6.3
147.04437	5.1
147.95331	1.9
149.05957	2.6
150.07591	24.1
151.03979	4.4
159.02934	14.8
159.04138	3.3
161.05928	2.6
163.03897	3.1
165.05469	23.3
167.05542	7.6
169.05138	3.2
171.02805	3.0
175.03893	2.9
177.04121	2.1
177.05409	13.1
179.07022	4.0
183.03004	2.4
183.06450	3.3
186.73788	2.5
189.03960	15.6
203.07074	2.7
205.05087	2.6
207.06528	22.1
213.03951	7.8
215.05516	3.0
219.02893	17.1
219.06564	7.7
223.06059	6.3
231.04628	14.3
231.06792	6.7
237.07570	7.4
238.55566	2.1
241.07011	6.8
249.07729	15.8
299.06137	5.1
300.06070	3.1
301.05884	12.1
309.06137	3.0
327.07068	9.8
345.08203	8.6
346.97241	3.1
353.08612	2.2
363.09286	3.3
417.03464	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	538.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03939	0.7
55.05485	0.5
62.45499	0.4
63.46429	0.4
64.60959	0.3
65.03938	3.2
69.03064	0.6
69.03426	10.5
69.41133	1.7
69.41547	0.6
70.06602	2.1
72.68800	0.3
73.04752	0.7
73.77435	0.4
77.03912	0.8
79.05486	4.3
80.04976	0.6
81.03405	1.3
81.05791	1.5
81.36220	0.4
82.06549	0.5
83.04955	0.6
84.08142	0.8
85.02913	1.0
86.09706	0.8
87.74982	0.4
87.86872	0.4
89.03902	0.6
91.05461	16.3
92.04995	4.3
94.06541	0.7
95.04959	2.3
96.08121	3.5
97.02879	1.7
99.04471	0.5
103.05442	0.6
105.04494	0.6
106.06546	23.4
107.04955	0.9
108.08115	3.6
109.02859	1.9
109.05244	0.7
119.04935	28.9
119.55463	0.4
123.06796	3.7
124.07586	14.1
127.03908	5.7
129.03380	0.4
132.02043	0.8
134.05998	16.5
135.04405	0.8
135.06306	0.4
136.06625	0.4
136.07523	2.3
138.05458	0.4
147.04398	27.3
148.04688	0.4
148.07555	1.1
149.02322	0.5
152.07053	33.5
157.03946	3.0
160.07510	0.6
161.05974	0.5
163.03870	0.8
164.04678	0.8
167.05569	1.0
167.07030	2.6
170.08113	18.8
173.02264	0.5
175.03891	49.7
176.04259	0.7
179.07024	2.0
181.05040	0.9
185.05945	0.4
186.05569	0.5
191.03358	0.8
191.06952	0.5
192.04141	0.6
204.06512	0.5
207.06506	100.0
208.06836	1.1
213.12308	0.6
219.02866	12.6
219.06456	1.4
221.08020	0.5
223.09973	0.4
225.07521	1.3
231.06541	0.5
235.05910	0.7
242.43974	0.4
252.10318	0.4
261.07516	0.7
263.09091	0.9
280.09393	0.5
285.02710	0.5
291.08560	1.9
299.06128	1.1
300.06247	0.6
301.05966	1.3
312.12253	1.4
314.12204	0.6
315.08594	0.5
332.13339	1.7
340.11798	1.6
351.10785	8.1
353.26996	0.4
358.12735	1.3
369.11758	11.4
417.03790	0.5
423.09198	0.4
502.17020	1.2
520.18066	12.0
538.19159	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	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05502	0.8
57.03400	0.7
62.95777	0.6
65.03925	0.7
65.40536	0.5
69.03414	1.0
69.28645	2.5
70.06582	0.7
73.04711	0.9
79.05488	1.4
81.03390	1.1
81.07047	1.2
83.00544	0.6
85.02904	4.4
86.09697	1.1
87.04443	2.1
91.05411	3.6
93.07029	2.5
93.59109	0.6
94.04171	2.9
95.04957	1.6
95.08571	0.8
97.02879	1.1
103.05457	1.8
105.07003	5.3
107.04987	0.6
109.06509	1.3
115.05420	1.9
117.03340	0.6
117.07005	1.9
118.15866	0.7
119.08574	2.4
120.08110	1.0
121.06492	2.0
122.03634	4.3
123.08045	1.0
124.03948	1.3
127.03902	1.8
129.07004	1.1
131.04887	0.9
132.05681	1.2
133.06496	3.8
137.05963	100.0
138.06323	2.1
143.04874	0.9
144.05620	1.0
145.02887	0.8
145.04904	0.9
145.06456	2.6
146.03636	0.8
147.04382	2.5
147.08037	1.7
149.05965	4.3
151.07565	0.7
151.33356	0.7
155.04900	1.1
159.08017	2.6
160.05208	1.0
161.05974	16.3
162.06761	2.9
163.07541	0.9
167.05540	1.4
173.06030	1.1
175.07526	26.0
177.05499	1.0
177.09169	0.8
179.07034	1.3
179.08447	0.8
180.12340	0.6
187.07513	6.6
190.07782	1.3
191.08467	3.0
193.08539	5.2
199.07587	3.0
199.09247	0.7
202.07722	1.0
203.08484	1.8
205.06738	0.9
205.08606	4.0
207.08055	0.8
217.08514	0.7
218.07185	1.5
219.02892	1.2
219.08044	7.0
220.08719	1.8
225.09035	1.0
231.08009	2.4
235.07541	1.1
236.08183	1.3
246.52376	0.6
247.07593	3.1
248.08148	1.3
251.10634	9.7
253.08571	0.8
259.07434	1.9
260.08401	0.8
263.10678	1.2
264.07822	1.5
269.11652	0.9
277.08627	0.8
279.10147	9.0
280.10788	1.2
291.10132	4.4
292.10709	0.7
296.10342	1.0
299.06155	1.8
300.06253	0.7
301.05841	1.0
309.11038	0.7
311.12738	24.9
312.13275	1.2
323.12726	8.7
329.13724	4.2
341.13751	6.5
346.97281	1.0
416.53012	0.7
417.03421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
55.05513	1.8
56.04999	1.2
58.02961	1.9
65.03928	1.7
69.03426	3.1
69.78106	4.8
70.06583	3.3
72.12651	1.0
73.04739	2.5
79.05507	2.9
81.03410	4.3
81.07063	2.2
84.04497	3.1
85.02897	8.0
86.09724	1.2
91.05836	3.4
93.13643	1.5
94.04191	1.5
95.05025	1.2
97.02892	4.0
99.71721	1.1
100.11225	3.5
103.05453	2.5
107.04940	1.7
109.02885	2.5
111.04440	2.5
113.06422	1.1
114.09183	3.6
115.05447	6.2
117.06994	1.9
118.43266	1.2
119.04958	3.2
120.08128	2.6
121.06498	1.8
121.10144	1.2
122.03645	3.6
123.00789	1.4
124.03929	1.5
125.05975	1.8
127.03984	1.2
128.06239	1.7
129.06984	5.6
131.04942	3.7
137.05971	87.5
142.08673	2.5
143.04909	10.8
144.05733	1.4
145.02890	1.6
145.04996	2.3
145.06502	1.3
147.04424	2.3
151.03931	2.5
153.05429	3.1
154.12267	2.1
157.06480	3.9
160.05208	15.0
161.05933	2.7
163.07524	2.9
167.05580	3.3
167.06996	2.3
169.01254	1.4
172.05226	3.3
173.06001	2.1
174.06795	1.8
175.07544	100.0
176.07901	1.6
179.07057	1.7
181.04988	1.4
182.15430	2.0
187.07542	31.3
188.08131	1.5
189.09085	6.1
195.59688	1.1
205.08589	17.1
209.08180	3.5
210.14941	2.5
217.08571	3.4
217.35805	1.2
219.08102	3.0
235.09619	14.8
247.07523	3.1
251.10629	2.8
263.10727	3.6
271.09656	3.4
279.10202	2.8
287.05481	7.9
288.05829	13.5
289.06064	12.5
290.06342	12.0
291.10141	4.6
292.10843	1.6
299.06161	4.0
300.06525	2.2
301.05920	5.2
311.12769	5.2
323.12741	6.7
324.12723	1.4
341.13724	5.6
344.88242	1.2
344.97473	1.3
346.97400	1.8
397.31873	1.5
417.03729	1.9
521.35614	1.3
538.39539	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	538.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.1
51.02365	0.2
52.01889	0.1
53.03943	0.3
55.05509	0.2
66.33842	0.1
67.05486	0.4
68.05019	0.1
69.07057	0.1
69.31722	0.5
70.34625	0.1
76.51695	0.1
78.03448	2.1
79.04210	0.2
79.05473	0.2
80.05012	5.4
81.07048	0.7
83.08592	0.1
87.91343	0.1
91.05470	0.6
93.07046	0.7
95.04979	0.2
95.08591	1.3
96.04488	3.7
97.65544	0.1
99.94592	0.1
105.01236	0.1
105.07016	1.1
106.02908	6.5
107.08573	0.5
109.06449	0.1
109.10108	0.2
111.04427	0.3
111.49582	0.1
112.64280	0.1
117.07027	0.2
119.08574	2.6
121.10131	0.4
124.03941	100.0
125.04282	1.1
128.06250	0.1
129.06972	0.2
130.07794	0.1
131.08563	0.4
133.10126	2.0
135.11671	0.1
140.03415	0.2
143.08546	0.4
145.10097	1.0
147.08093	0.1
147.11642	1.0
155.07072	0.2
155.08519	0.3
156.09302	0.2
157.10139	0.7
159.11665	1.1
161.13239	0.6
167.08662	0.1
169.10094	0.6
170.10832	0.2
171.11635	0.7
173.09503	0.1
173.13249	1.0
181.10196	0.1
182.10970	0.1
183.11719	0.6
184.12421	0.2
185.13228	0.6
186.25639	0.1
187.11201	0.2
187.14833	0.5
188.15598	0.1
189.16364	0.3
195.11691	0.3
197.13258	0.9
199.11250	0.2
199.14825	0.5
201.12712	0.2
201.16339	0.5
209.13332	0.2
209.44885	0.1
211.14738	0.6
215.10635	0.2
215.14523	0.1
217.12273	0.2
225.12753	0.2
225.16393	0.2
229.12239	0.3
235.14772	0.4
237.16399	0.3
239.14243	0.1
239.17873	0.8
243.13786	0.2
249.16451	0.1
253.19490	0.8
257.15158	0.2
271.20554	0.2
281.18958	0.4
295.16721	0.2
299.20016	3.4
313.17920	1.1
373.20084	0.6
416.57596	0.1
422.23196	1.6
423.23541	0.2
534.60217	0.1
538.27948	16.9
539.28302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
51.02367	0.7
53.03939	0.5
55.05502	0.8
65.03917	0.5
67.05496	3.0
69.03431	0.6
69.07059	1.0
71.04979	1.0
77.82567	0.3
78.03448	8.2
79.05475	1.4
80.05010	5.8
80.87878	0.3
81.07042	4.0
83.04978	0.5
83.08596	0.6
91.05460	1.4
91.05901	0.4
93.07036	2.8
95.04968	0.8
95.08596	5.2
96.04475	5.6
97.02879	1.5
97.06511	0.4
99.04436	0.8
105.03403	0.7
105.07021	4.4
106.02903	30.5
107.08578	2.6
109.06490	0.7
109.10147	1.1
111.04432	1.3
113.06022	0.6
117.06989	0.8
119.08562	12.6
120.08917	0.4
121.10098	1.8
123.08114	0.5
124.03936	100.0
125.04283	0.9
125.05970	0.5
128.06169	0.4
129.06978	0.6
130.07793	0.4
131.08585	2.1
133.10120	7.8
135.11668	0.5
137.06032	0.4
137.09645	0.4
140.03442	0.4
141.05423	1.2
141.06935	0.4
142.07706	0.8
143.08527	1.8
144.09203	0.4
145.10100	3.7
147.11674	2.9
155.07027	2.5
155.08531	1.6
156.09386	0.6
157.10118	3.0
158.10896	0.5
159.11688	3.9
161.09633	0.7
161.13177	1.6
167.05530	0.4
167.08536	0.7
169.10121	2.2
170.10872	0.7
171.11653	2.8
173.09601	0.6
173.13239	3.9
175.11183	0.4
179.08459	0.3
181.10100	1.0
182.10942	0.5
183.11693	2.9
184.07292	0.3
184.12408	0.9
185.09561	0.5
185.13211	2.4
187.11050	0.4
187.14827	1.2
189.16380	0.9
191.10553	0.4
193.10062	0.8
194.10866	0.5
195.11646	1.2
196.12395	0.6
197.13214	5.0
199.11200	0.6
199.14772	1.6
201.12753	1.3
201.16368	1.2
205.12233	1.0
206.10886	0.4
207.11678	0.9
209.13245	1.1
211.11211	0.6
211.14806	2.3
213.12798	0.6
217.12239	0.5
219.13788	0.4
220.12442	2.0
221.13177	0.6
223.14886	0.9
225.12782	0.7
225.16316	1.3
229.12187	1.0
235.14758	3.5
237.16350	0.8
239.17921	1.4
243.13814	1.0
249.16408	0.6
253.15834	1.0
253.19537	1.9
257.15292	0.6
267.17416	0.4
271.16891	0.8
271.20493	0.3
281.19003	1.3
295.16937	2.0
299.06232	0.6
299.20035	11.2
301.05826	0.9
313.17932	7.7
317.21191	0.4
331.19031	1.0
422.23236	4.9
440.24167	3.0
538.28271	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	538.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58353	0.8
54.83963	0.8
55.05505	2.3
57.07088	1.0
61.29933	0.8
67.05501	4.8
67.69397	0.8
69.03423	3.4
69.13843	2.8
69.14251	3.0
70.06583	1.6
71.05005	1.9
73.04740	1.7
79.05476	2.5
81.07053	4.7
83.04994	1.9
83.08617	1.1
91.05484	4.6
93.07031	5.0
95.04977	2.4
95.08605	3.9
97.02866	4.7
97.06563	1.2
105.07000	6.2
107.08591	3.1
109.06495	1.1
109.10176	0.9
111.04429	3.3
117.07034	4.2
119.08575	9.9
121.10101	1.4
124.03963	3.7
126.01082	1.1
128.06158	1.0
129.07014	2.1
131.08589	9.6
133.06467	1.2
133.10107	5.9
135.08070	1.1
139.03947	0.9
139.07547	1.0
141.05467	1.6
141.07002	1.9
142.07794	2.2
143.08580	4.2
145.10126	12.3
147.08061	1.0
147.11626	1.7
149.02330	7.2
149.09665	0.9
153.07001	1.1
155.07109	1.4
155.08566	5.3
156.09358	3.5
157.10141	6.9
159.08084	1.7
159.11687	6.7
161.09665	1.4
163.37384	0.9
165.06938	1.2
167.05548	4.3
167.08569	2.6
168.09363	1.1
169.10130	9.4
170.10893	3.7
171.11691	9.7
173.09633	2.7
173.13281	4.9
175.11165	0.9
179.08522	1.2
181.10149	3.2
182.10829	4.2
183.11688	8.2
184.12465	3.6
185.09677	2.0
185.13303	3.5
187.11201	1.2
187.14816	2.6
191.34357	0.9
192.09250	1.1
193.04947	6.4
193.10170	4.1
194.10939	2.0
194.66595	0.9
195.11685	4.6
196.12392	1.9
197.09590	1.8
197.13229	19.3
198.13940	1.7
199.14816	1.6
201.12788	3.5
203.14363	0.9
205.10133	1.4
205.15921	1.8
206.10931	2.1
207.11777	4.3
209.13234	3.3
211.11223	3.1
211.14735	4.5
219.11732	1.6
220.12497	6.6
221.09494	1.0
221.13275	4.4
223.14859	1.7
225.16362	4.5
234.14032	1.4
235.14828	13.1
237.07619	7.8
237.09836	1.2
249.16441	3.3
251.17969	1.0
253.15930	5.8
257.11716	1.3
267.17426	3.8
271.16928	2.1
277.15805	2.0
285.02963	1.5
285.18411	1.2
295.16891	7.4
297.18671	1.0
297.99857	1.8
299.06241	3.0
300.06204	2.0
301.05832	5.9
313.17957	100.0
314.18011	2.2
328.32080	2.9
331.19180	4.7
373.20035	5.9
433.22311	1.1
450.24829	8.3
485.47461	0.9
538.29828	1.3
538.37274	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	538.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.6
57.94815	1.2
65.03945	1.8
67.05499	19.7
69.03417	4.3
69.07020	1.3
69.42060	1.2
71.02047	2.4
71.04988	8.0
75.63862	1.3
79.05479	3.0
81.07063	12.2
83.04976	2.9
83.08620	1.2
91.05469	8.4
93.07053	10.6
95.04957	8.4
95.08595	3.9
97.02889	11.5
97.06534	3.0
105.07030	10.5
107.08569	6.1
107.91428	1.8
109.06510	3.6
109.10140	1.6
111.04437	4.2
111.08088	2.3
113.06004	3.8
115.05457	2.2
117.06999	3.3
119.08576	54.1
121.06458	1.8
121.10072	2.4
124.03934	2.6
128.06235	2.5
129.07021	1.4
130.07764	1.5
131.08563	8.7
133.10126	8.0
137.06004	1.8
137.09573	1.6
141.05458	16.2
141.07059	1.9
142.07791	3.6
143.07578	1.5
143.08542	7.8
144.09280	2.3
145.10123	8.7
147.11668	3.1
150.81873	1.3
153.09143	2.1
155.07037	31.3
155.08507	5.5
156.09357	3.2
157.10146	13.0
158.10857	2.7
159.08034	2.4
159.11702	14.3
161.09624	2.3
167.08647	3.8
169.10114	13.0
170.10904	3.0
171.11694	14.0
173.09589	2.6
173.13234	14.4
175.11250	2.1
179.08582	2.5
181.08737	1.8
181.10184	5.0
182.10941	1.9
183.11650	11.8
184.12442	5.0
185.09621	5.3
185.13239	10.0
186.10274	2.2
187.11174	1.7
187.14813	2.2
192.03783	1.2
192.09346	1.3
193.10135	4.7
194.10896	2.9
195.10120	1.9
195.11674	8.6
196.12494	2.9
197.13240	26.8
198.13928	1.3
199.14877	2.1
201.12721	5.0
202.32454	1.4
203.10693	1.4
205.10138	3.7
206.10902	4.4
207.11737	8.0
209.13290	10.2
211.11110	2.7
211.14806	11.1
219.11681	3.7
220.12425	20.8
221.13206	5.5
223.14886	4.9
224.15308	1.4
225.16389	9.8
231.01616	1.6
233.13255	1.5
234.13992	5.3
235.14801	38.2
236.15239	2.4
239.17825	1.9
249.16379	10.1
251.14474	2.0
251.18036	1.8
253.15889	10.3
255.13849	4.7
267.17490	4.6
271.16794	7.3
277.15808	6.3
280.14545	2.4
283.15628	1.6
285.18521	2.3
295.16873	21.4
303.19562	1.6
313.17960	100.0
314.18344	2.1
331.18909	9.5
367.85159	1.3
373.19910	2.2
387.18130	1.6
401.23029	1.8
538.29663	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	538.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
65.03931	2.8
65.97844	1.3
67.05495	20.2
69.03419	6.0
69.89890	4.3
70.04003	1.3
71.04991	8.2
79.05473	5.3
81.07051	19.8
83.04976	4.6
84.25383	1.2
91.05489	9.8
93.07047	8.5
95.04964	11.0
95.08590	5.5
97.02879	13.1
97.06496	2.9
105.07034	10.8
107.08579	6.0
109.06504	4.1
109.10124	1.6
111.04413	6.6
111.08052	4.5
113.06004	3.2
117.07000	5.6
119.08572	74.6
121.10123	4.2
123.04430	2.2
123.08065	1.7
127.07533	1.8
128.06163	3.3
129.07025	2.2
131.08556	10.8
133.06461	2.2
133.10126	10.7
135.08044	3.9
137.05957	3.2
137.09662	1.8
139.07547	1.5
141.05458	15.4
141.07030	1.4
142.07761	5.6
143.08578	10.0
145.10101	12.0
147.08047	1.9
147.11685	3.4
149.09634	3.0
153.08995	2.3
155.07025	26.2
155.08540	5.3
156.09331	6.7
157.10121	18.5
158.10915	2.5
159.08014	2.8
159.11681	17.7
161.09608	6.6
161.13275	1.7
164.62053	1.3
165.06969	2.2
167.08549	4.1
169.10104	15.2
170.10927	9.4
171.11668	16.3
173.09610	4.7
173.13243	19.6
175.14828	1.5
177.09129	2.3
179.08565	3.2
179.10559	1.3
180.09361	2.0
181.10130	4.4
182.10916	3.6
182.85173	1.3
183.11671	13.2
184.12456	5.6
185.09648	7.4
185.13242	11.2
186.10342	2.9
187.11194	4.2
187.14810	2.3
192.09328	3.6
193.10081	7.4
194.10893	4.1
195.11705	10.7
196.12480	3.6
197.09647	1.5
197.13255	29.5
198.13762	2.5
198.16635	1.5
199.11168	1.3
199.14804	2.2
201.12724	6.7
203.14082	2.4
205.10130	4.0
206.10902	4.2
207.11760	8.0
208.12328	1.7
209.13232	13.7
210.13951	1.5
211.11349	3.2
211.14763	15.1
215.14359	2.9
219.11760	3.3
219.13695	1.6
220.12440	26.1
221.13232	9.2
223.11220	1.4
223.14825	5.8
225.16333	12.8
233.13184	2.1
234.13988	5.5
235.14787	42.6
236.15164	3.8
237.12576	1.6
239.17905	3.3
240.32780	1.6
249.16351	13.4
251.14418	1.8
253.15842	14.3
255.13977	6.7
267.17453	6.2
269.15353	2.1
271.16943	8.2
277.15848	6.3
280.14594	2.6
285.18427	4.0
295.16898	23.7
303.19379	2.2
313.17963	100.0
314.18155	5.0
331.18954	15.0
373.20016	2.8
538.30176	15.4
539.30292	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
55.05509	2.1
57.03445	1.1
57.07067	1.8
67.05499	5.4
69.03441	2.7
69.07068	3.4
69.93188	2.3
71.04995	8.0
73.04759	1.3
79.05485	8.3
81.03423	2.8
81.07043	8.0
83.04993	1.8
85.06567	1.2
86.79070	1.1
87.04471	1.7
87.29044	0.9
89.06032	4.1
91.05407	8.0
93.07041	9.4
95.04967	4.8
95.08598	10.5
97.02897	6.2
103.05443	3.0
105.07025	69.4
105.67451	0.9
106.07363	4.1
107.04944	1.6
107.08578	5.6
109.02898	1.2
109.06533	2.9
109.10160	2.5
111.04424	2.5
111.08043	1.7
113.00030	5.8
113.05999	1.1
114.03754	1.3
117.07018	4.5
119.04940	1.7
119.08561	20.7
121.06532	7.4
121.10152	4.6
123.08051	1.3
124.03947	18.9
125.04290	1.4
125.05994	4.1
127.03931	1.5
128.06209	2.4
129.07005	4.9
130.07837	1.2
131.08554	10.1
133.06477	1.3
133.08615	2.1
133.10118	10.3
135.08055	4.8
137.05989	1.0
137.09644	1.0
139.01555	11.8
139.07501	1.0
141.05499	1.7
141.06973	1.9
142.07791	4.6
143.08553	7.4
144.09366	1.4
145.06494	1.2
145.10120	22.9
147.08043	7.2
147.11650	7.3
149.09641	4.0
153.50728	1.1
155.07199	1.8
155.08569	5.1
156.09364	6.5
157.10112	14.0
158.10873	2.4
159.08078	4.7
159.11687	15.6
160.08832	1.1
161.09628	4.6
161.13234	1.0
163.07512	1.0
165.06976	1.4
165.09241	1.0
167.05615	2.2
167.08504	2.6
168.09340	1.3
169.08720	1.4
169.10095	14.0
170.10883	6.2
171.11676	15.5
172.08813	1.8
172.12473	3.2
173.09627	11.3
173.13263	10.3
175.11223	2.9
175.14752	1.3
179.08510	3.3
180.07776	1.7
180.09375	1.1
181.10127	4.4
182.10951	2.6
183.04045	1.3
183.11659	11.8
184.12335	1.7
185.09612	4.9
185.13243	9.7
186.10352	1.8
187.11224	7.8
187.14801	31.1
188.11955	2.8
189.12752	4.3
192.09351	1.3
193.10071	5.6
194.10927	1.9
195.11703	4.2
196.12474	4.0
197.09669	1.8
197.13257	12.0
198.13992	2.2
199.14815	2.6
201.12752	6.6
203.10661	3.2
203.14371	3.9
205.10072	1.4
205.15894	2.2
206.10854	1.6
207.11636	7.9
208.12337	1.9
209.13249	6.4
210.13943	2.0
211.11220	4.4
211.14796	19.8
213.16374	3.3
215.10724	2.9
215.14296	15.7
216.14969	1.5
217.15805	1.6
219.11852	1.5
220.12347	6.1
221.13268	4.0
223.11223	2.2
223.14828	2.5
225.12750	5.1
225.16325	5.7
229.15915	2.8
231.10167	6.8
234.14111	1.7
235.14786	11.8
236.15463	2.8
239.10632	1.2
239.14270	1.5
239.17972	4.0
249.16344	5.9
252.15068	1.1
253.12271	3.3
253.15826	5.0
255.13837	2.1
256.05627	1.1
257.11716	3.0
257.18973	7.2
267.17422	5.1
269.15497	1.9
271.16931	4.3
277.15799	1.2
280.14606	2.2
285.14908	7.4
285.18484	4.1
295.16910	24.1
299.06195	2.5
301.05914	5.4
303.19553	1.5
313.17953	100.0
314.18408	2.8
331.18933	9.3
346.97339	1.5
401.23193	83.5
402.23630	3.4
538.29810	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.4
53.03937	0.3
57.07063	0.7
67.05498	0.3
73.04757	0.3
79.05490	4.1
81.07057	0.5
87.04462	100.0
88.04790	0.8
89.06022	1.3
91.05372	0.5
91.86528	0.3
93.07056	0.4
95.04970	2.2
103.05470	3.2
103.15955	0.3
105.04502	0.9
105.07023	77.3
106.07368	1.7
117.06961	0.3
117.41402	0.3
119.08573	1.2
121.06508	2.0
129.06950	0.5
131.07019	0.7
131.08556	0.5
133.08601	0.5
135.08107	0.4
147.08038	3.8
149.09537	0.6
162.44484	0.3
165.09032	0.5
167.05551	0.6
209.13338	0.5
219.12178	0.9
223.11096	0.5
225.12700	1.2
251.14314	0.7
269.15469	0.4
292.09592	0.3
295.16830	0.4
299.06119	0.5
301.06192	0.5
313.16183	1.6
372.26697	0.3
538.31122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.05496	5.0
55.46301	1.9
57.07081	3.1
67.05507	10.6
69.07045	5.2
69.18762	10.5
71.08640	2.3
73.04738	2.1
79.05494	14.4
80.04986	4.2
81.07050	27.5
89.06016	4.0
91.05428	14.2
93.07037	20.8
95.04937	5.4
95.08603	17.7
96.04455	2.9
104.10745	3.3
105.07023	33.1
107.08591	18.3
109.10144	8.9
117.07023	3.1
119.08562	16.9
121.10133	9.5
123.11655	3.2
124.03943	100.0
125.00002	2.2
129.06982	2.5
131.08549	7.5
133.10112	9.2
135.11668	7.0
143.08572	3.1
145.10075	7.9
147.11620	6.4
149.13249	4.4
157.10107	2.3
159.11679	6.3
161.13254	2.8
167.05573	4.0
168.11946	2.1
171.11754	2.2
173.13286	3.8
183.11784	2.1
184.07315	3.3
185.13177	2.2
187.14757	3.0
194.27240	1.9
221.02504	1.7
226.54906	1.9
272.65567	2.0
299.06216	5.5
301.05881	4.2
313.17950	3.6
314.90765	2.3
359.03000	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	538.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74575	0.5
53.15092	0.6
53.72487	0.5
55.05501	1.4
57.07061	0.5
67.05503	1.5
69.07057	1.0
69.43418	2.4
79.05475	2.1
79.54313	0.5
79.98580	0.5
80.05009	5.0
81.07060	4.5
83.04971	1.4
89.05970	0.6
91.05473	1.9
93.07042	5.3
95.04974	0.9
95.08614	3.6
95.09116	0.6
96.04475	3.3
100.84481	0.6
105.07020	6.0
107.08583	4.4
109.10152	2.1
113.49162	0.5
119.08577	4.6
121.10125	2.1
123.11723	1.4
123.56875	0.6
124.03944	100.0
125.04281	1.5
131.08543	1.0
133.10123	2.1
135.11702	2.6
145.10088	0.8
147.11665	2.2
149.13161	0.8
154.52617	0.5
157.10152	0.8
159.11667	1.4
161.13252	0.9
167.05539	0.6
171.11707	0.7
172.42648	0.5
175.14883	0.9
196.26704	0.5
203.17978	0.9
235.14867	0.6
265.98425	0.6
299.06268	0.6
301.05841	1.1
345.54681	0.5
347.54544	0.5
408.79666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44255	0.4
56.05016	1.3
57.03412	0.6
57.07077	3.0
58.06598	1.3
60.08161	17.3
60.08467	1.0
61.67554	0.5
67.05490	0.7
69.07059	0.6
69.76013	1.7
71.07372	7.0
71.08614	1.9
73.04733	0.8
81.07080	0.4
83.08601	0.4
85.10183	1.0
86.09700	53.6
91.05788	1.0
95.08569	0.5
95.56100	0.4
98.98466	4.8
104.10736	100.0
109.10130	0.7
115.46745	0.4
124.99997	30.2
163.01599	0.7
167.05687	0.7
179.94951	0.4
184.07329	91.6
185.07716	0.6
215.09380	0.4
258.10950	1.0
299.06125	1.2
301.06018	1.1
331.96255	0.4
334.97641	0.4
355.32181	0.9
416.03943	0.5
520.37634	8.6
538.38641	26.1
539.38782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0976
Annotation	8,'8''-Bibaicalein
Peak:m/z	Relative Intensity
51.02376	0.7
53.03937	1.1
55.01854	0.3
60.18737	0.3
67.19809	0.4
68.99785	2.7
70.06586	1.0
70.92657	0.4
77.03922	1.2
81.03387	0.4
95.04959	8.2
96.04494	1.6
98.22678	0.5
103.05446	2.4
105.03385	37.2
105.04419	3.4
106.03718	0.4
107.95135	0.3
123.00737	0.6
129.03410	0.6
131.04930	3.0
139.00241	3.2
140.01060	0.5
147.04419	0.7
149.53955	0.4
157.07559	0.4
168.00577	1.3
169.06487	0.3
171.04425	0.5
177.01826	0.7
179.06960	0.4
186.01645	0.9
187.03876	0.6
205.01277	2.1
207.02927	0.6
214.99789	0.9
217.01314	0.7
223.02370	0.5
225.05479	0.5
233.00816	1.9
241.04939	10.4
241.07314	0.7
242.05656	0.7
242.99211	1.2
245.00783	1.7
251.07150	0.4
253.04929	0.4
261.00266	2.2
269.04440	2.6
270.05188	9.6
270.98804	0.3
271.05969	11.3
271.08954	0.6
273.00146	0.3
279.06534	1.3
283.05878	0.4
285.07587	0.8
288.99771	5.8
289.05005	0.8
293.04382	0.7
295.05988	0.5
297.99731	1.6
299.00235	0.9
307.06006	5.7
316.01038	0.8
316.99158	0.6
317.01126	0.4
317.04575	0.9
319.06207	0.4
333.05731	0.7
335.05414	2.0
345.03827	2.7
347.05341	0.4
360.05154	0.5
361.05630	0.6
363.05002	3.3
373.03241	0.8
375.04938	0.6
389.05579	0.5
391.04437	8.4
392.05276	2.6
393.06070	5.1
403.06216	0.6
416.04019	1.5
417.04337	3.7
418.98309	0.7
419.03946	12.7
420.04260	0.5
434.05020	0.4
435.05222	0.6
437.04993	0.6
465.09952	0.4
493.08987	0.5
521.10596	8.1
539.09680	100.0
540.09937	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	539.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14900	0.6
66.74855	0.7
69.39342	2.6
84.99284	0.7
91.05811	0.9
98.22705	0.6
103.05470	2.0
119.03732	1.2
131.03751	1.2
131.04939	5.1
134.03632	0.9
139.29733	0.6
146.02342	0.7
147.03166	1.9
147.04321	0.6
151.02681	1.2
159.03108	3.3
160.05200	1.2
167.05540	0.9
168.05669	0.6
174.01875	0.8
187.02376	4.1
187.04007	9.2
199.02586	0.7
202.01392	1.2
215.02097	17.6
226.96248	0.6
233.03224	2.5
243.01619	29.2
248.07173	1.3
249.07468	0.7
253.05019	0.9
258.00351	3.9
260.07199	0.8
261.02661	19.4
271.01117	10.5
272.01862	1.5
273.02606	1.5
275.05865	1.4
276.01385	12.8
276.06555	1.7
277.07251	1.7
279.05243	1.4
284.01828	0.9
285.99857	4.5
288.06638	1.5
289.02075	5.8
291.05145	0.8
297.99863	4.7
298.03055	1.3
299.00461	13.3
300.06375	0.9
301.06006	1.1
304.00912	2.5
304.06042	4.0
305.06705	3.3
316.00888	1.7
316.06061	1.1
317.01575	6.4
319.04739	1.3
320.05566	1.1
332.05551	4.2
333.06268	5.5
335.03046	1.0
344.05676	1.7
360.04913	6.0
361.05765	57.2
362.06268	1.8
367.63220	0.6
375.07339	6.5
376.04620	2.3
388.04358	4.9
389.05261	29.7
390.05780	3.0
402.06229	1.7
403.06793	12.9
404.03766	4.8
416.04129	3.3
417.04529	24.0
418.04980	0.8
419.46552	0.8
421.07794	4.9
430.05182	0.8
435.05811	4.5
479.09827	1.8
493.11261	1.8
499.18799	0.7
521.10925	100.0
522.11359	5.6
538.30798	2.0
539.12079	70.8
539.29651	1.4
540.12579	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	539.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01847	0.2
57.03416	0.6
58.04569	0.2
60.78333	0.2
68.99783	0.4
69.03066	0.3
69.03425	5.0
70.06586	0.5
70.78109	0.4
73.02898	0.6
81.03410	6.3
85.02892	3.1
86.06009	0.3
89.03895	0.4
97.02878	2.4
98.84184	0.2
99.04469	1.1
101.02348	0.7
103.03938	0.2
109.02874	3.8
111.00797	0.4
117.03406	0.4
119.03403	0.4
127.03894	3.3
129.15382	0.2
133.04892	0.3
135.04414	5.9
135.97054	0.2
141.77765	0.2
143.03371	0.8
145.02812	0.5
145.04918	0.5
147.04346	0.5
149.02338	0.3
163.03888	5.3
171.93564	0.2
173.02318	1.8
175.03929	1.1
187.05978	2.5
189.01822	0.4
191.03365	7.9
191.05139	0.4
201.01802	1.1
207.02870	0.3
217.04829	0.2
219.02856	100.0
220.03215	2.5
229.04889	0.3
257.04321	1.1
261.03958	0.3
267.02545	0.2
281.04944	0.2
285.03955	1.4
303.04977	4.5
317.06448	0.5
335.07523	0.3
358.73392	0.2
423.09171	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	539.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01857	0.3
57.03433	0.4
61.02911	0.4
68.99787	0.4
69.03426	4.6
69.20761	1.4
70.06576	0.3
71.04967	0.3
73.02898	0.6
74.63763	0.2
79.46826	0.2
81.03411	6.1
85.02898	3.0
89.03928	0.5
97.02894	2.3
99.04438	1.0
101.02395	0.4
103.03941	0.2
103.59127	0.2
109.02868	3.9
110.36041	0.2
111.00789	0.3
117.03345	0.4
119.03393	0.5
127.03904	2.9
135.03467	0.4
135.04414	6.0
143.03384	1.0
145.02812	0.6
145.04970	0.3
147.04378	0.8
149.02264	0.2
153.01730	0.3
163.03899	4.7
170.73863	0.2
173.02313	1.8
175.03862	1.0
187.06004	2.9
191.03375	7.2
194.02066	0.4
195.02809	0.3
200.15147	0.2
201.01692	1.2
205.07100	0.3
205.57394	0.2
219.02866	100.0
220.03197	2.3
229.04845	0.4
257.04434	1.0
261.03983	0.4
285.03922	1.3
303.04941	4.2
317.06567	1.0
318.88864	0.3
335.07156	0.3
409.13089	0.2
423.09183	5.5
423.14871	0.3
438.18726	0.3
465.10385	0.3
512.87604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.212
Annotation	(+)-Cycloolivil 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	0.7
60.05622	0.7
67.05499	0.7
69.03419	1.7
70.06588	0.8
79.05479	0.9
81.03421	0.6
81.07040	0.9
83.04958	0.6
85.02902	3.4
95.04940	1.1
95.08598	0.6
97.02886	1.4
130.09761	2.3
141.05437	1.1
165.01825	0.8
173.09601	2.0
177.05473	1.0
179.03380	11.0
181.04977	0.8
193.04956	3.1
198.06717	0.7
198.18102	0.6
200.00162	0.6
201.09065	1.0
208.91441	0.6
216.07794	1.1
217.08609	4.6
217.51897	0.6
218.09360	1.5
219.06485	1.1
219.10147	2.1
220.07318	1.0
229.08577	0.9
233.08093	1.6
234.08890	0.9
241.08600	0.7
249.08986	0.6
249.12717	0.7
251.14519	0.7
258.39902	0.6
263.10718	0.6
264.11407	0.7
267.10056	1.0
274.99707	0.7
277.12094	1.5
279.13812	0.6
287.22067	0.6
291.02380	0.7
295.13263	2.0
313.14114	0.7
323.12796	2.1
325.55246	0.6
326.11496	2.8
331.11801	5.2
341.13779	1.6
359.14844	100.0
360.15186	2.9
377.15884	12.4
535.67627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87131	0.2
61.75606	0.2
67.82561	0.2
84.18947	0.2
91.05850	0.3
101.88618	0.2
103.05479	0.5
105.07047	0.5
131.04945	0.8
166.81767	0.2
185.04280	0.5
202.91074	0.2
292.90186	0.2
300.06238	0.3
301.05533	0.2
301.45160	0.2
304.80038	0.2
351.50540	0.2
364.53165	0.2
532.56696	0.3
539.31885	100.0
540.24829	0.2
540.32111	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	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32127	0.4
67.05504	0.6
79.05507	0.7
80.01268	0.3
81.07058	0.7
87.04479	0.5
91.05473	0.6
91.95325	0.4
105.07030	4.6
106.07333	0.9
109.10113	0.5
113.00024	0.4
119.08629	0.6
131.08578	0.6
181.10126	0.5
184.64204	0.4
185.04283	0.5
192.83459	0.5
203.05193	0.7
231.54738	0.4
259.07709	0.6
272.43686	0.4
300.06055	0.6
539.31854	100.0
540.32324	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	540.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03780	0.5
55.01878	0.7
56.13144	0.5
68.99480	0.5
68.99769	2.9
69.07069	3.3
82.02938	5.9
84.04513	1.5
91.05478	1.6
92.99763	1.2
95.01321	3.5
95.04963	1.0
96.04481	0.9
98.23431	1.3
103.05466	14.4
110.02404	5.7
116.33934	0.5
122.02393	1.8
123.00777	3.7
124.03965	1.2
126.01897	1.8
128.03445	1.1
129.07030	1.1
130.17317	0.5
131.04921	49.4
132.05267	1.3
136.03969	1.1
138.01872	9.7
141.01851	0.6
147.04427	1.2
148.03896	0.8
150.01863	5.1
151.00247	2.9
152.03407	4.2
154.01341	5.0
156.02898	9.0
164.03445	1.0
166.01381	2.9
168.02977	1.7
169.01314	11.3
170.42342	0.5
176.03467	0.9
178.01340	16.9
181.01372	1.4
190.01318	0.7
192.02849	3.6
194.00917	1.3
196.02406	31.5
199.03902	1.8
203.99246	0.8
208.02478	0.9
210.04012	0.8
213.05565	2.1
216.02913	1.1
218.00809	11.2
218.02696	0.9
220.02377	10.1
222.00304	1.4
225.05426	0.6
226.01445	1.7
231.06544	1.1
236.01927	2.0
238.03467	2.9
240.01385	6.5
240.06596	1.2
241.04999	1.9
244.02478	1.1
246.00323	12.1
254.08131	0.5
260.01926	1.6
264.01407	5.5
270.05331	1.2
271.42114	0.6
282.02292	0.9
282.07693	1.8
282.82541	0.6
285.07584	2.2
288.01367	35.6
289.02112	0.6
306.02408	29.9
307.02667	1.2
313.99399	2.1
316.99313	0.9
322.07047	6.1
324.03558	1.4
324.08792	2.0
326.06549	0.9
332.00305	5.4
350.01773	1.4
350.06662	2.9
359.04514	0.9
368.07080	0.7
370.08435	0.5
392.07620	23.3
393.08014	1.0
410.08670	47.6
411.08990	1.8
418.05637	1.3
436.06595	5.8
454.07629	33.5
455.07990	1.8
496.13858	2.9
540.12872	100.0
541.13214	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	540.1291
Annotation	Fredericamycin A
Peak:m/z	Relative Intensity
55.15641	0.9
68.99777	6.8
91.05476	2.9
95.04961	2.2
103.05466	30.2
105.03406	2.0
105.06953	1.2
115.05438	7.7
119.08597	0.9
122.02402	1.4
126.01041	1.2
128.00774	1.2
129.07011	1.6
131.04926	100.0
132.05266	2.7
138.01843	1.7
142.06551	2.5
146.98135	1.1
147.04395	1.5
152.71359	1.0
154.01350	1.1
155.04909	4.7
156.02914	1.0
157.06430	1.0
166.01326	1.4
167.02228	1.0
168.02925	3.3
170.06039	1.8
171.04420	4.4
173.06018	1.1
178.01410	5.7
180.02968	2.4
182.05975	1.1
186.09128	1.3
190.01321	1.7
192.02904	1.9
196.02432	3.7
198.09204	2.1
199.03915	6.1
202.01257	1.2
208.02501	1.3
209.56047	1.0
210.05585	1.5
212.07068	20.6
218.00835	14.9
220.02359	1.4
224.01910	3.3
224.07080	2.1
230.08015	1.6
232.02415	2.2
238.04930	2.7
240.01414	4.0
241.04932	5.8
246.00426	1.6
248.02000	2.0
252.06529	1.7
254.08124	3.1
256.06042	10.1
259.05899	1.8
269.04474	3.4
270.07639	1.3
272.09225	2.2
273.99786	2.4
280.06036	19.8
282.07510	1.9
288.01376	1.9
292.00830	5.9
296.09369	1.2
297.99783	6.3
298.07013	3.2
300.01077	1.4
304.00818	1.7
306.02405	1.9
312.17059	1.2
316.00900	14.1
318.94489	1.2
322.07071	9.6
332.00357	6.6
334.01962	13.8
350.01474	3.0
350.06094	1.5
366.06097	3.4
384.12265	22.6
390.05981	1.5
402.06122	2.7
408.07318	2.0
418.05304	1.6
420.01651	2.0
420.07120	19.3
421.08096	1.3
426.13284	13.2
434.69705	1.2
436.06577	27.0
452.11349	3.8
454.07883	1.3
504.11096	1.6
522.11707	19.8
540.12823	75.9
540.53241	1.7
541.13696	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	540.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83620	0.6
68.99793	7.8
70.16300	0.8
70.16636	1.4
77.03915	0.8
83.26221	0.5
91.05473	2.8
95.04957	2.0
103.05458	31.6
105.03394	1.0
105.07037	0.7
115.05447	9.6
117.06982	0.6
118.06584	0.6
121.02824	0.7
122.02356	1.4
127.05444	1.2
129.06998	2.7
131.04916	100.0
132.05258	2.0
138.01872	2.3
140.03380	1.3
141.07008	1.1
142.06496	5.0
145.06491	1.5
154.06485	2.2
155.04922	4.5
155.05995	1.2
156.08054	1.4
157.06514	0.8
166.01312	1.0
168.02881	4.4
168.04158	0.6
170.06017	4.1
178.01332	0.8
182.05963	2.8
183.04410	0.8
184.07486	1.7
185.00784	0.9
186.09209	1.5
190.01369	1.6
192.02776	1.1
193.28349	0.6
196.07568	0.9
198.09137	3.5
199.03889	6.9
200.07060	0.9
208.02469	0.9
208.07579	1.0
210.05441	3.1
210.08946	0.7
212.07043	32.1
213.05498	1.5
218.00826	15.9
218.04341	0.6
224.07092	1.6
225.05528	0.8
226.08540	1.3
230.08157	3.1
236.06943	1.0
238.04970	4.8
240.01405	6.8
240.06667	2.0
241.04913	6.9
243.06677	1.0
246.03966	1.4
252.06482	3.1
254.08110	4.5
255.06570	2.6
256.06030	16.3
259.06018	1.2
268.06079	1.6
269.04471	1.8
269.06900	1.2
270.07416	0.8
271.05981	1.1
272.09073	3.1
273.95779	0.6
274.07114	1.3
280.06009	30.1
281.06375	1.4
282.07529	1.3
285.22012	1.9
298.07162	3.8
298.43658	0.6
304.00986	1.3
314.06537	0.7
316.01004	0.6
322.07077	12.1
332.00339	9.0
342.11075	1.1
348.04831	1.5
350.01440	4.3
350.10239	4.5
366.06113	6.0
378.09546	0.7
384.12256	31.4
385.12234	1.3
390.05957	1.7
418.12842	1.7
420.07147	2.4
426.13333	17.8
427.13937	1.0
436.06583	30.9
437.07016	1.8
452.11258	3.3
470.12589	0.6
522.11035	1.4
524.17084	0.9
540.12781	97.1
541.12964	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	540.129
Annotation	Fredericamycin A
Peak:m/z	Relative Intensity
57.07063	0.8
68.99802	2.7
69.60069	1.8
75.91209	0.6
88.07657	0.7
95.04946	1.3
98.23447	1.1
103.05470	23.1
105.04516	0.7
122.02379	4.0
131.04921	36.8
132.05215	1.0
148.00311	2.0
150.01785	0.8
157.02884	0.6
161.92894	0.7
162.01874	1.5
166.99789	0.6
173.06010	2.0
174.01843	0.9
175.03958	1.6
178.01251	0.8
185.00766	0.9
190.01317	6.3
194.00856	0.7
202.01360	1.5
208.02504	1.0
218.00835	58.1
219.01183	1.5
230.00732	1.3
236.01959	2.6
246.00320	53.5
247.00726	1.8
249.68535	0.6
256.26364	1.3
258.00433	1.9
261.99905	1.3
264.01501	2.1
271.06128	0.6
276.01419	1.2
280.06204	1.0
285.99789	17.7
286.02817	1.2
288.01480	1.2
302.52618	0.6
304.00916	7.0
311.29404	1.3
313.99258	12.0
316.00870	0.7
332.00348	53.9
333.00647	1.8
348.04892	0.9
350.02127	1.1
350.06561	12.9
376.04178	0.7
390.05923	1.3
394.05646	1.1
418.05505	11.6
436.06619	100.0
437.06934	3.8
522.11810	55.0
523.12006	2.3
540.12903	0.8
540.39441	0.8
540.53613	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	540.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24496	0.5
65.03931	1.3
68.99782	4.3
69.03441	0.8
69.90011	1.9
77.03931	0.6
81.03398	2.4
84.04520	0.8
91.05486	1.0
95.01322	2.2
95.04949	1.4
103.05465	16.8
105.07020	1.6
106.79636	0.6
108.04465	1.4
109.02831	1.7
110.02396	13.1
111.04450	1.2
121.02864	5.1
124.03986	1.4
131.04918	67.0
132.05295	0.8
134.02303	0.6
137.02341	13.2
138.01878	0.6
139.00266	2.2
140.03386	1.3
145.02820	1.0
152.03374	4.3
152.06177	1.3
153.07092	0.8
155.03380	20.2
157.01337	0.7
162.01889	0.7
162.69937	0.6
163.03810	0.7
165.01825	3.5
165.07002	1.1
166.01306	0.7
166.07881	0.6
167.08536	6.7
168.02910	10.4
171.04404	0.8
176.03392	1.6
176.06218	0.7
177.06973	4.4
178.01337	10.4
178.07753	2.6
179.08551	2.6
181.06496	1.9
183.02881	2.6
192.02831	0.9
194.04475	12.3
194.07195	0.7
195.08046	18.6
196.02411	3.6
196.08310	0.6
199.03864	3.1
199.07507	0.7
204.02837	1.1
205.06410	8.5
207.08084	2.1
209.05962	2.0
212.07185	0.6
213.05515	0.8
215.07080	3.8
218.00891	1.0
220.02390	10.3
223.07518	21.2
224.07565	0.7
233.05951	2.3
238.03386	1.1
241.05005	4.6
241.08575	18.2
243.06563	0.9
244.02399	4.1
246.00391	1.8
248.01932	0.8
251.07011	100.0
252.07330	2.1
252.09770	0.7
259.05795	0.7
262.03476	2.1
269.08173	4.4
270.07501	0.6
272.01865	3.4
272.09140	15.3
280.05936	1.3
282.07623	10.0
286.03412	0.6
290.02859	1.9
296.09326	1.0
298.10693	5.6
300.01367	10.9
304.04465	0.7
306.07526	0.6
314.02942	1.7
316.00833	0.8
324.08603	10.6
350.06430	1.1
362.06674	0.9
376.08392	1.0
384.12363	0.7
390.05621	0.9
404.07571	4.0
408.11163	0.6
418.04642	1.6
418.09836	5.5
422.08575	2.3
436.10556	1.5
454.11642	0.6
460.97302	0.7
480.14294	2.0
498.10968	0.6
504.14871	0.7
522.11761	7.6
540.12769	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.7
64.73754	1.0
67.47188	1.0
68.05017	0.9
68.99803	1.2
69.44160	4.1
81.03416	4.3
83.01343	3.4
91.05482	2.7
95.04953	2.7
96.04516	2.0
103.05459	40.2
105.03394	2.1
105.04498	2.0
105.07030	1.5
108.04478	3.6
109.02876	1.5
110.02442	0.9
110.05914	0.8
111.00753	1.1
115.05452	2.6
117.07033	1.3
120.04472	1.6
122.02370	0.9
122.06009	1.8
128.06296	0.8
129.07008	2.2
131.04916	82.7
132.04422	1.2
132.05319	1.1
133.06499	4.0
136.03932	6.2
137.02339	3.3
138.01839	1.4
138.53511	0.8
139.00246	3.0
140.03403	2.9
148.04001	1.3
150.05455	2.1
152.03487	1.2
157.01256	2.4
160.03970	1.1
161.06000	1.3
162.01811	1.2
162.05519	1.4
164.03416	3.0
166.01320	1.5
166.04968	1.0
167.02119	1.6
168.02888	8.1
173.06039	1.1
175.07510	1.2
176.03439	2.1
178.01347	8.4
178.04997	3.1
180.02922	2.2
188.03435	1.4
190.01341	1.1
190.05026	1.5
192.02872	5.9
194.04480	9.8
197.05896	1.0
197.63762	0.9
202.04979	1.2
203.07127	1.0
204.02893	2.4
206.04446	4.6
210.04079	1.0
218.04474	18.7
222.04019	2.6
223.07657	1.1
230.04526	5.0
232.02408	2.3
233.03242	1.0
234.03909	5.0
241.04895	1.8
243.06464	2.2
244.02460	1.1
246.03952	28.2
258.03989	3.0
264.05014	1.1
272.01932	1.2
272.09103	5.4
282.07553	6.3
286.03400	1.4
298.10727	12.9
322.07025	1.3
322.10849	2.0
324.08661	1.5
332.09116	1.5
334.10709	7.3
336.08682	4.5
338.10172	18.4
350.10190	100.0
351.10489	3.9
352.12012	1.2
362.10281	6.3
376.07855	1.5
378.09683	22.8
380.11288	3.7
390.09753	2.0
392.11273	2.3
408.10645	5.1
410.12619	1.8
418.08954	2.1
436.10278	9.4
476.14911	1.2
494.15723	3.0
503.89291	1.0
504.14536	3.4
522.15503	7.7
540.16614	19.2
541.16559	1.2
558.88239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38572	0.7
61.66089	0.7
67.92906	0.7
75.44506	0.8
75.51967	0.8
86.09741	1.0
91.05460	4.0
95.04982	0.9
95.08614	0.7
103.05435	6.8
104.08885	0.7
105.03339	1.0
105.07037	1.0
107.05025	1.0
109.73451	0.7
115.05442	11.2
117.07053	1.0
124.03920	1.4
131.04915	15.8
138.01840	1.6
142.06528	5.7
144.08073	1.2
156.08105	1.1
157.06490	0.9
168.02994	0.9
170.05965	4.4
170.24924	0.9
178.01369	1.1
181.04997	1.1
181.06514	0.8
183.02899	2.6
184.07440	2.8
191.35378	0.9
192.02933	1.3
208.06119	1.8
212.06955	0.9
224.07010	0.9
238.05058	2.4
245.08167	0.9
252.06674	2.1
254.05804	3.0
256.06088	2.6
269.08060	4.3
271.09750	1.6
280.06033	22.7
284.09247	1.0
289.02042	1.2
296.09500	1.0
298.07251	2.7
298.10828	2.3
304.04617	2.8
316.01077	1.2
326.10159	1.7
332.03976	14.8
332.07681	1.2
334.02054	0.8
343.17133	0.9
350.05209	1.0
360.12433	2.1
362.06271	1.7
368.11078	1.4
384.12198	9.1
390.05557	1.2
417.04517	0.9
418.04861	1.9
420.07257	1.0
436.10458	7.7
522.11053	4.7
540.16547	100.0
540.53473	1.5
541.16791	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	540.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82018	0.6
67.05514	0.7
68.99792	1.3
70.83476	1.0
91.05473	1.8
103.05466	4.6
105.03381	1.5
115.05431	5.6
115.06107	0.6
131.04916	13.1
138.01883	1.2
139.00235	0.7
142.06544	2.8
155.04852	0.7
157.06339	0.8
166.01382	0.9
167.02155	2.2
168.02895	1.3
170.06026	3.0
171.04465	1.0
178.05104	0.8
179.03331	0.8
184.07596	1.0
185.03270	1.4
192.02991	0.9
199.03975	0.6
212.07104	0.9
220.02383	1.1
224.07115	1.0
225.05428	0.9
234.03964	1.3
238.04948	1.8
239.07002	0.7
240.06728	0.8
241.04945	9.8
242.08098	1.3
251.06830	0.6
252.06628	2.2
254.05775	2.4
254.08086	0.9
255.06490	5.2
256.05972	1.2
259.06134	2.0
261.02731	2.1
268.06061	2.1
269.08133	1.0
270.07565	3.5
271.08484	0.9
278.08441	0.6
280.06042	13.8
280.08972	0.9
282.07626	1.3
283.08426	3.2
284.09164	1.2
289.02176	2.1
296.09467	1.0
297.99936	1.2
298.07153	2.0
302.02924	1.0
304.01227	0.9
316.01422	1.1
317.01736	2.2
317.05051	0.6
329.17667	0.6
330.02524	0.9
332.04141	2.6
335.02621	0.7
344.04184	3.1
345.11264	6.0
358.11349	0.7
360.12347	1.2
376.08353	0.7
384.12268	6.6
389.19238	0.8
392.07489	0.6
393.08557	0.8
394.09164	0.9
403.06894	1.1
404.05414	1.3
418.04648	1.4
420.07285	3.2
421.08038	1.4
434.08762	1.4
436.10361	2.6
448.10239	4.8
481.23367	1.2
504.11099	1.0
508.12680	2.2
522.11676	3.0
524.13409	2.2
525.13947	2.2
540.16547	100.0
540.53448	1.2
541.16785	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	540.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
65.03937	3.2
66.66793	1.1
67.05527	1.6
69.03419	1.5
69.67709	2.8
69.68073	5.1
75.04484	3.4
76.55191	1.3
78.04741	1.9
81.07086	1.3
84.00421	1.4
85.02907	7.3
87.87942	1.3
91.05469	11.6
93.03396	14.2
93.07043	5.0
95.04967	5.0
97.02859	1.8
97.06558	2.5
103.05488	4.8
105.07056	2.0
106.04166	25.6
106.04832	2.1
107.04940	2.5
109.02884	1.8
121.06497	24.8
125.05975	6.7
129.07007	5.0
131.04839	2.7
131.08548	6.5
134.03647	4.6
137.05986	5.8
138.06769	1.6
139.07523	2.9
141.07007	5.4
145.04953	1.5
148.05132	2.4
149.05972	47.3
151.03828	1.6
151.07576	2.8
153.09094	12.1
157.06512	5.2
158.07283	1.8
159.08064	5.3
163.07628	1.7
167.07036	3.6
169.06477	2.4
174.06802	12.3
177.05478	27.3
181.08572	20.5
186.06715	2.4
189.09077	19.2
191.07025	1.7
191.10641	1.7
195.06642	1.6
201.09088	6.9
209.08080	100.0
210.08556	2.6
219.10155	92.7
220.10509	2.7
223.04239	7.4
541.19208	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	540.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.01862	1.9
65.03930	1.8
67.05508	1.3
69.59104	2.9
70.06573	1.2
75.04471	3.9
78.04696	3.3
79.02971	0.8
79.05478	1.8
81.03398	1.1
85.02892	2.8
89.03928	1.9
89.06027	1.3
91.05474	13.0
93.03400	9.8
93.07037	6.4
95.04955	5.3
97.06552	2.4
98.23444	1.0
103.05451	4.9
103.08344	0.8
104.96766	0.8
105.03412	0.9
105.04488	2.3
105.07011	1.0
106.04166	29.3
107.04941	2.4
109.06537	0.8
119.04937	1.0
121.06500	29.3
123.04400	0.8
123.08046	1.4
125.05981	6.5
131.04935	1.2
132.05717	0.9
134.03638	5.4
137.05972	4.8
138.06764	1.6
139.07518	2.7
145.02832	1.6
148.05165	1.6
149.05969	42.9
151.03958	0.9
151.07516	2.4
153.05447	1.4
153.09097	11.5
163.03864	1.5
163.07523	2.5
166.06203	1.6
167.07027	2.8
170.23465	0.8
174.67946	0.7
177.05464	23.9
181.08588	19.9
191.06985	2.2
209.08073	100.0
210.08507	1.6
219.02879	6.3
220.03169	4.6
223.04175	5.7
383.14771	0.8
426.97610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01854	0.3
57.03426	0.3
65.03935	2.8
67.05493	1.4
69.03428	2.0
71.04994	0.3
79.48345	0.4
81.03420	4.7
82.04198	0.9
85.02898	4.0
93.03387	0.9
95.04977	1.8
95.37543	0.3
97.02885	1.0
97.06514	1.1
99.04436	0.5
105.04563	0.4
108.02117	0.4
109.02888	1.6
110.03685	1.8
111.04446	0.6
122.88077	0.3
123.04417	0.8
125.02395	0.5
125.05991	0.9
126.01079	0.3
127.03931	1.2
128.00780	0.3
138.03114	0.7
140.04681	5.9
142.02594	0.6
145.05017	0.5
151.03938	1.9
151.04936	0.3
153.05476	2.0
155.03716	0.9
155.07043	2.9
157.03413	0.4
171.06535	3.4
181.04953	100.0
182.05298	2.0
199.05998	7.9
206.38411	0.3
212.57869	0.3
219.10141	0.4
246.42506	0.3
307.59946	0.4
325.09171	5.7
343.10229	7.6
450.76279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.11193	0.4
61.59407	0.4
65.03944	3.0
67.05492	1.1
68.64347	0.4
69.03422	1.7
69.28101	2.3
72.36980	0.4
75.08054	0.4
81.03409	4.0
82.04192	0.6
83.24940	0.3
85.02891	3.0
93.03401	0.7
95.04948	1.0
97.02876	1.6
97.06516	0.7
99.04431	0.7
103.02265	0.4
108.02133	0.6
109.02862	1.6
110.03642	1.6
111.04433	0.8
112.05105	2.3
123.04414	0.9
125.05977	1.3
127.03925	0.9
138.03105	0.9
140.04678	6.0
142.02597	0.9
145.48134	0.4
147.04343	0.5
151.03894	2.0
153.05453	2.5
155.07008	2.9
169.04965	0.5
171.06528	4.1
181.04942	100.0
182.05255	2.1
199.06024	7.0
215.95483	0.4
325.09143	5.5
343.10205	6.9
412.30377	0.4
545.23206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.5
67.09673	0.4
69.03426	0.7
70.55267	0.9
73.09574	0.4
85.02879	0.9
91.05474	0.8
97.02888	100.0
98.03226	1.1
114.79013	0.5
121.02866	12.7
121.03797	0.7
149.87279	0.5
151.03868	1.8
151.11617	0.5
217.04939	7.8
235.05977	4.4
253.07114	3.0
253.09351	0.5
297.07626	0.5
540.13983	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	540.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19563	0.4
69.07017	0.7
70.04962	0.5
71.22311	0.4
81.07014	0.5
87.27338	0.4
89.05994	1.0
94.06538	0.6
103.03926	1.0
120.04425	0.8
122.05986	0.5
132.08054	0.5
140.07068	0.7
143.50313	0.4
146.05975	0.6
150.05458	0.5
152.07043	2.0
154.04936	0.6
154.08598	0.9
156.10165	1.4
158.05911	0.4
168.07990	0.5
168.10229	0.4
176.10634	1.3
182.05714	0.4
190.05022	0.7
194.08115	1.9
202.08662	0.5
207.09082	0.4
208.09935	0.5
209.10707	1.5
210.11473	0.6
218.04390	0.5
221.10796	0.7
222.11427	0.6
223.12169	2.2
224.09328	0.9
225.10149	3.3
226.10796	0.5
233.10657	0.9
234.09203	0.5
234.11354	0.6
235.08618	4.1
236.09409	3.2
237.10211	11.6
238.10847	2.3
239.11771	1.0
240.12497	0.9
241.13365	0.6
248.09454	1.0
249.10191	9.8
250.11008	5.4
251.08093	2.1
251.11775	17.4
252.08943	0.6
252.12419	3.3
253.09717	17.6
253.13240	1.5
254.10239	0.6
261.10071	1.0
262.11026	1.1
263.08389	0.6
263.11771	2.5
264.08832	1.1
264.12616	0.5
265.09708	20.1
266.10349	2.4
267.11267	6.9
267.14310	0.6
267.15158	0.4
268.11832	1.0
269.12668	0.6
276.08908	0.5
277.09634	4.5
278.06946	0.8
278.10461	8.2
279.07684	4.7
279.11234	25.3
280.08817	0.7
280.11993	6.8
281.09641	0.8
281.12845	2.2
282.10007	1.0
283.10806	1.2
284.11465	0.8
289.09641	1.1
291.11423	1.0
293.09158	5.1
293.12811	6.4
294.09885	3.1
294.13522	1.5
295.10693	4.0
295.14352	3.5
296.11417	1.8
297.12280	5.8
306.09958	1.4
307.10760	2.6
308.11542	1.4
309.08539	1.3
309.12228	6.8
311.10159	3.4
311.13870	2.2
312.10989	14.3
321.12326	0.9
323.13879	1.7
324.11047	5.9
325.11783	12.9
326.12350	1.4
327.13351	48.1
328.13693	1.5
335.10193	5.1
336.10965	2.3
337.11810	5.7
339.13373	100.0
340.13858	5.5
341.14957	0.6
352.10507	1.1
353.11304	8.7
357.14383	0.8
367.12857	94.0
368.13480	9.6
369.13889	0.6
384.13242	0.8
385.13925	13.8
399.15475	17.6
400.16003	0.9
476.18085	4.1
480.21490	2.3
508.20767	87.0
509.21216	5.1
526.21808	1.1
538.03198	0.6
540.23450	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
58.44080	0.8
69.03458	1.4
69.53194	1.9
69.53577	1.4
69.83120	0.7
78.04704	0.8
85.02910	3.8
91.05456	3.6
93.03395	2.9
93.07040	0.9
95.04958	0.8
97.02895	1.0
103.05474	1.7
106.04166	4.6
115.05452	1.0
121.06508	5.5
129.07010	7.7
131.04930	1.0
131.08582	7.1
137.05971	3.2
139.07510	0.8
141.06970	7.3
143.05029	1.0
144.05739	0.9
149.05986	7.1
151.07526	0.8
152.50424	0.8
153.09067	1.0
157.06480	9.0
158.07266	3.0
159.08035	6.4
163.07599	0.8
169.06514	3.1
170.07297	1.2
174.06767	15.7
175.07504	2.6
177.05482	2.7
181.08580	3.1
186.06778	2.3
188.08310	1.1
189.09114	25.3
191.10675	1.9
200.88780	0.8
201.09099	10.3
207.10132	1.1
209.08104	14.2
219.10158	100.0
220.10446	1.6
287.05450	1.3
287.95926	0.9
381.15393	2.4
541.18951	2.2
542.88690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08160	1.5
57.22330	1.3
69.03423	2.9
69.27123	7.8
69.27421	1.5
78.11549	1.3
81.03434	1.6
85.02901	8.2
88.62636	1.1
88.63297	1.3
91.05453	12.4
95.04972	2.1
97.02867	2.1
105.07018	1.7
107.04969	2.7
109.06518	1.7
111.04504	1.4
115.05415	1.5
117.07001	2.1
119.04932	8.9
121.06490	2.9
122.03703	2.3
128.06198	2.0
129.06984	11.1
131.04912	4.7
131.08553	7.2
133.06511	1.9
135.08060	2.5
137.05965	46.5
138.06288	1.6
138.93141	1.5
141.07005	6.0
143.04903	1.7
145.06512	1.9
149.05963	8.0
151.03987	1.6
151.07524	55.6
152.07854	1.7
152.83896	1.3
157.06477	11.5
158.07265	4.2
159.08066	5.8
161.05978	6.5
161.09604	2.9
163.07503	14.9
165.07034	2.4
165.09100	2.8
167.08598	5.0
169.06548	1.8
174.06741	15.9
175.07433	8.9
176.07997	1.4
177.09154	2.6
178.07732	2.3
186.06682	2.7
189.09088	49.9
191.10605	2.7
193.06453	3.3
193.10158	4.2
195.08058	10.6
201.09111	8.8
207.10075	2.7
210.06659	1.8
212.08334	3.2
219.10136	96.3
220.10609	1.6
221.05931	4.0
221.09587	3.0
223.05646	1.6
223.07452	6.4
224.08247	1.4
225.05360	1.6
225.09129	5.9
227.10637	17.5
235.07469	2.1
249.09074	2.4
251.07091	1.3
253.08635	5.5
253.12184	10.6
255.10161	17.0
267.10196	4.0
269.07880	1.4
269.11948	1.7
272.10376	1.7
281.11774	2.9
285.11136	12.6
287.12738	39.4
301.14386	1.9
313.14291	33.8
329.78918	1.4
331.15350	100.0
332.15851	3.0
343.15158	1.7
425.18234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01874	0.8
57.03433	1.0
61.02917	0.8
69.03427	2.5
69.34587	2.4
73.02901	0.6
79.05495	1.2
81.03394	2.2
81.07051	1.0
81.87328	0.5
85.02901	9.3
91.03949	0.5
91.05477	8.3
94.04188	0.7
95.04969	3.0
95.08622	0.5
97.02888	2.3
99.04456	0.7
100.11256	1.5
103.05453	1.9
105.07024	1.6
107.04946	1.6
109.02869	1.0
109.06500	2.0
111.04427	0.9
111.23505	0.5
115.05406	0.5
117.07039	0.5
119.04942	7.9
121.06524	2.4
122.03651	2.4
127.03916	1.4
128.06206	1.0
129.07001	5.0
131.04922	4.2
131.08511	0.5
133.06551	0.7
135.08009	2.6
136.05254	1.2
137.05968	40.9
138.06273	1.0
143.04919	1.0
145.04980	1.3
145.06462	1.1
146.03629	0.8
149.05972	4.9
151.03920	3.9
151.07533	49.3
152.06146	0.9
157.06502	5.9
161.05963	7.4
161.09583	1.2
162.06717	0.6
163.03979	0.5
163.07536	11.8
165.05774	0.5
165.06985	2.5
165.09100	2.3
166.07819	0.5
167.07269	0.8
167.08536	4.8
168.17474	0.7
169.06500	1.0
174.06767	2.5
175.07526	4.2
175.74182	0.4
176.08246	0.5
177.06970	0.9
177.09109	4.3
178.07780	1.3
181.04904	1.1
181.06396	0.6
182.15294	0.5
187.07507	0.8
189.09093	18.3
193.06499	2.0
193.10120	3.3
194.07265	1.4
195.06371	0.9
195.08057	9.9
196.08769	0.6
197.06035	1.0
203.08528	0.6
203.10315	1.1
206.07300	0.6
207.08231	1.0
207.10182	3.9
209.05974	0.6
209.09593	1.5
210.06735	1.6
211.07472	0.9
212.08313	1.9
220.08771	0.6
221.00708	0.5
221.06094	3.7
221.09560	5.4
222.10185	0.6
223.07550	5.6
224.08275	1.1
225.05554	0.7
225.09067	4.9
227.07182	0.9
227.10657	16.2
231.08063	0.7
235.07487	1.0
237.09079	2.1
238.06219	1.5
238.09836	1.1
239.07059	0.8
239.10785	0.6
240.07857	1.5
241.08504	0.5
241.12218	1.1
249.09111	3.1
250.09523	0.6
252.07852	0.7
253.08597	6.8
253.12213	8.8
254.09143	0.7
255.10150	15.4
256.10614	0.7
265.08630	0.7
266.09387	0.5
267.10223	3.2
269.04706	0.6
269.08078	2.1
269.11737	0.9
270.08887	1.1
272.10425	1.6
281.11700	3.4
281.87338	0.4
283.09830	0.5
284.10471	1.0
285.07950	0.5
285.08466	0.3
285.11194	12.2
287.12747	28.0
298.11914	0.8
299.12906	1.8
301.14468	1.0
311.12704	1.1
313.14316	23.1
314.14703	0.8
316.03415	0.5
331.15375	100.0
332.15646	3.5
343.15277	3.2
362.70279	0.5
398.60245	0.5
453.28714	0.5
539.41583	1.3
540.41827	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.08323	0.9
67.05486	0.9
67.85682	0.8
69.37930	2.1
69.38317	2.0
70.06599	1.0
77.66599	0.9
78.82629	1.0
79.05469	1.5
79.30627	0.9
81.03423	1.5
82.06563	1.4
85.02891	3.9
85.51077	0.8
91.05464	4.3
93.07618	0.8
97.02911	1.2
103.05469	8.1
105.07027	1.4
114.21016	0.9
117.07007	2.0
119.04931	3.3
121.06483	1.3
122.03651	1.2
125.06038	1.1
128.07057	5.1
131.04926	15.3
135.07999	1.3
137.05969	25.6
149.05948	1.0
151.03883	1.2
151.07545	14.8
157.06471	2.5
161.05951	3.0
162.06758	1.9
163.07549	39.5
167.08559	1.1
170.08119	1.1
174.06760	1.5
175.03963	0.9
175.07529	4.5
177.09102	100.0
178.09485	1.7
181.04910	7.7
183.02951	1.1
189.09129	4.5
195.08020	2.0
195.10170	2.9
207.06491	1.9
221.09682	1.4
221.11702	14.4
227.10535	5.2
239.58994	0.9
253.08504	1.3
253.12213	1.5
255.10109	3.1
257.11938	1.1
281.11691	1.1
285.11249	3.4
287.12759	8.2
311.12671	1.6
313.14374	6.4
331.15359	20.6
332.15762	1.0
339.13397	2.1
343.15329	2.3
492.71436	1.0
508.20871	1.2
539.98376	0.9
540.19073	1.1
540.28052	1.0
541.16693	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	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
53.73885	1.3
55.01874	1.8
62.89717	1.0
63.40034	1.1
67.05498	2.8
69.03425	3.6
69.07089	1.5
70.06573	2.0
74.04723	1.1
79.05484	1.5
81.03396	2.9
81.07057	2.1
84.08167	1.1
85.02891	12.3
87.04449	2.1
91.05471	9.7
95.04969	2.7
95.08611	4.1
97.02868	3.4
100.11243	2.0
103.05469	1.5
105.07021	2.9
107.04962	1.2
109.02868	1.6
109.06493	3.1
113.22143	1.1
113.72478	1.2
115.05489	1.4
119.04942	8.4
119.08624	1.4
121.02832	1.2
121.06511	2.4
122.03687	1.4
127.03891	2.5
128.07072	2.1
129.07022	5.5
131.04915	2.1
133.10074	1.9
135.08076	3.2
136.05199	1.1
137.05963	34.1
139.02199	1.2
145.04984	1.4
147.04413	1.3
149.06021	6.4
151.03943	1.4
151.07532	44.4
157.06458	5.4
161.05983	4.9
161.09578	1.3
163.07542	11.6
165.07033	2.6
165.09114	2.0
167.08569	4.5
174.06754	3.5
175.07532	3.6
177.09142	4.3
189.09116	14.4
193.06471	2.1
193.10152	3.7
195.08063	8.4
207.10130	3.6
210.06700	1.4
212.08304	1.5
221.05905	3.3
221.09557	4.2
223.07559	4.7
225.09050	4.7
227.10643	12.1
238.06291	1.2
239.16447	1.1
240.07967	1.9
241.12270	1.1
249.09210	2.2
253.08556	5.8
253.12202	7.3
255.10135	13.9
257.17407	2.5
267.10205	2.1
269.08136	1.6
281.11700	3.9
285.11142	8.3
287.12747	26.4
313.14316	23.3
321.27692	1.3
331.15359	100.0
332.15781	3.2
339.09698	3.3
343.15359	4.1
406.06729	1.2
508.17276	2.6
539.42896	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	540.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03255	0.6
59.04992	6.9
69.08421	4.6
71.04996	0.8
73.02905	2.7
73.06541	2.1
78.99495	1.1
87.04456	13.6
89.06021	100.0
90.06360	0.9
90.15451	0.7
103.07574	5.4
103.08155	0.9
107.07037	1.9
113.00002	5.8
115.07578	0.8
117.09116	1.1
117.32700	0.6
127.01549	43.8
129.42995	0.7
131.07062	2.8
133.08586	48.5
139.01524	14.3
139.02499	1.2
146.61954	0.6
147.10155	2.2
153.03093	50.6
165.55841	0.7
175.09679	1.3
177.11186	15.0
183.04170	6.5
191.12732	0.7
197.05713	21.5
221.13837	1.9
227.06790	3.6
241.08366	5.7
259.09424	2.1
265.16650	0.9
271.09485	2.3
285.10983	2.1
297.07629	0.9
302.97964	0.8
303.12000	1.5
315.12051	1.7
329.13577	1.0
347.14584	0.9
393.16666	0.7
396.73990	0.7
478.57797	0.7
479.22577	0.8
523.25128	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	540.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.3
55.05500	5.4
57.03425	3.1
57.07059	2.1
59.04994	2.9
67.05492	7.9
69.03413	8.5
69.07059	7.5
70.04068	4.3
70.70098	2.5
71.04987	4.1
71.42686	3.5
73.68856	3.1
79.05453	11.8
81.03406	33.3
81.07056	13.5
83.04978	4.7
85.02905	2.7
87.04448	3.5
91.05466	20.8
93.07038	19.4
95.04966	7.3
95.08588	6.8
97.02880	10.0
97.06516	6.6
105.07017	29.5
107.08591	14.4
109.06500	6.4
111.04404	3.5
115.05447	5.0
117.07005	9.7
119.08559	54.5
121.06496	7.1
121.10138	4.2
123.08041	4.7
125.05973	8.3
127.03919	22.7
128.06207	7.4
129.06992	9.8
131.08554	20.8
133.06488	4.7
133.08586	2.8
133.10114	28.3
135.08043	7.8
137.06004	3.6
139.07513	2.6
141.06982	8.6
142.07768	15.1
142.19922	2.4
143.08546	21.6
144.09312	3.4
145.10126	24.8
147.08023	6.7
147.11671	29.3
149.09601	8.2
153.06970	5.5
154.07700	2.5
155.07066	4.2
155.08537	21.2
156.09290	16.2
157.10123	42.9
159.07982	7.8
159.11700	15.1
160.08705	2.7
161.09621	6.2
162.63379	2.1
163.07541	2.2
165.07010	8.9
166.07773	6.2
167.08557	11.4
168.09354	2.6
169.08757	4.4
169.10097	26.8
170.10880	43.4
170.20218	2.4
171.08054	4.7
171.11684	32.8
171.70105	2.5
172.08749	6.2
173.09618	15.6
173.13206	7.2
174.10309	2.3
175.11127	20.0
175.14812	3.7
179.08537	20.2
180.09319	5.6
181.08545	8.0
181.10107	35.1
182.10831	3.0
183.11670	33.2
184.12437	12.1
185.09615	9.5
185.13226	73.4
186.10390	3.7
186.13725	3.2
187.11134	13.8
187.14822	2.6
189.12807	3.3
192.09308	5.9
193.10103	22.7
194.10870	15.1
195.11671	27.6
196.12419	5.8
197.09666	5.3
197.13266	10.0
198.10370	5.3
199.11143	9.3
199.14796	10.5
200.88420	2.5
201.12711	5.6
202.46448	2.3
203.14241	23.3
205.12137	5.4
206.10846	5.6
207.11678	21.4
208.12358	13.5
209.09546	8.2
209.13255	40.0
210.13840	4.7
211.11186	5.2
211.14851	13.8
212.12003	2.8
213.07426	3.7
213.12706	28.3
215.14256	3.4
218.10829	4.3
219.11656	4.0
221.09665	2.7
221.13222	17.7
222.13933	5.4
223.11208	8.9
223.14777	34.7
225.12782	5.5
227.10776	4.2
227.14262	45.7
229.16026	2.8
230.24680	3.8
231.13724	3.1
231.25134	6.0
232.12440	3.8
233.13390	11.5
234.13954	3.3
235.14894	3.8
236.12022	5.6
237.12724	4.8
237.16258	11.7
241.15767	4.0
245.15422	11.4
247.14735	10.4
251.14278	22.1
253.12234	4.8
255.13698	5.8
259.16962	5.0
265.15860	20.8
267.13733	7.2
269.11710	6.0
269.15268	19.5
275.14267	2.9
278.12955	3.9
283.16837	16.1
287.16315	10.9
293.15341	20.2
301.17822	25.5
310.15085	3.5
311.16354	100.0
326.14011	2.6
329.17407	89.3
330.17725	3.5
347.18362	8.5
371.18500	93.1
372.18716	3.3
389.19571	15.9
522.26746	4.9
540.27472	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	540.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
53.69831	1.9
54.23815	1.8
55.05509	3.4
67.05506	8.7
69.03437	3.1
69.07071	2.9
79.05497	9.1
81.03415	2.0
81.07044	10.5
83.04977	2.4
84.92583	1.9
91.05450	9.8
93.07053	14.6
95.04968	6.1
95.08605	14.9
97.02911	3.1
97.06556	3.0
99.04475	2.2
105.07034	14.5
107.04940	2.5
107.08604	14.5
109.06496	9.5
109.10155	2.7
110.29449	1.8
117.07021	3.9
119.08567	27.4
121.06473	2.0
121.10158	10.2
123.08084	4.8
125.02374	2.5
128.06313	2.2
129.07004	4.9
131.08582	16.2
133.06551	2.6
133.10100	14.6
133.98395	2.0
135.08034	6.6
135.11713	3.3
137.05995	2.2
141.07028	5.5
142.07802	5.2
143.03386	5.4
143.08546	10.3
144.09302	3.6
145.10120	21.5
147.07997	2.4
147.11670	6.3
149.09641	7.2
149.13237	4.7
152.14635	1.8
153.07109	2.5
154.46773	2.2
155.08585	7.4
155.99274	1.9
156.09293	9.7
157.04944	4.9
157.10112	16.2
158.10820	3.8
159.08060	4.2
159.11682	21.0
161.09619	5.2
161.13286	2.4
163.11238	3.2
165.06967	4.1
166.07785	3.5
167.08571	3.5
168.09331	2.2
169.10135	10.1
170.10901	8.2
171.08055	2.4
171.11685	18.5
172.08818	3.0
172.12460	3.0
172.69710	1.9
173.09645	12.2
173.13246	14.0
175.11195	3.4
177.12802	4.3
179.08530	6.2
180.09373	5.2
181.08769	1.9
181.10080	11.4
182.10895	3.4
183.07962	2.0
183.11696	9.7
185.13248	12.3
187.11235	5.7
187.14828	15.4
188.11932	3.5
189.12793	2.5
192.09317	2.4
193.10130	8.0
194.10889	5.9
195.11659	12.1
196.12477	8.5
197.08047	3.6
197.13240	9.5
198.14082	2.9
199.11162	4.8
200.11990	2.3
201.09158	4.1
201.12807	4.4
205.15868	2.4
206.10989	3.5
207.11615	9.7
208.12418	5.2
209.13264	7.5
211.11296	3.8
211.14812	22.4
213.12930	2.4
213.16348	2.9
215.14363	6.7
221.13240	19.1
222.13959	3.2
223.11145	2.9
223.14812	4.2
225.12822	4.0
227.10622	2.9
229.15843	9.4
235.14886	4.4
236.15555	19.1
237.11223	8.0
237.16312	4.4
239.14243	2.6
241.12254	2.8
241.15804	4.3
247.09576	2.5
251.10712	9.9
251.14236	2.7
253.12149	2.1
254.16681	3.7
255.17451	3.8
265.15921	5.2
269.11621	3.0
269.15417	3.1
273.11130	3.5
275.14450	3.3
283.13736	2.2
283.16815	9.1
287.12759	2.4
287.16513	1.8
293.15363	29.6
301.14371	6.2
301.17944	3.7
303.15897	4.4
311.16397	8.1
319.19025	10.6
329.17480	100.0
330.17770	3.8
347.18512	34.4
389.19559	57.3
389.24677	3.3
540.28180	4.0
540.53333	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	540.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83499	1.0
53.03938	1.9
55.01881	0.9
55.05500	2.4
60.31248	0.9
67.05492	5.7
69.03416	3.3
69.07056	2.5
69.87171	2.9
79.05492	4.8
81.03427	1.5
81.07053	3.9
82.01231	0.9
82.78246	0.9
83.04970	2.5
85.02888	1.2
87.04482	0.9
91.05456	5.1
93.07048	4.9
95.04949	6.1
95.08604	6.7
97.02865	3.0
105.03394	11.7
105.04503	1.5
105.07011	8.0
106.02908	3.7
107.04907	1.2
107.08598	4.7
109.06516	3.0
109.10151	3.5
111.04443	2.4
115.05412	1.4
117.07001	3.2
119.08568	11.7
119.56477	1.1
121.06523	1.7
121.10135	3.8
123.08063	2.4
124.03947	8.0
125.02358	2.6
125.06043	1.2
128.06244	1.0
129.06989	2.7
131.08568	8.8
133.06519	1.1
133.10109	8.7
134.31752	0.9
135.08054	4.6
137.05959	1.3
139.03905	0.9
139.07550	1.2
141.06992	1.5
142.07785	2.7
143.03351	4.5
143.08563	8.9
144.09334	1.6
145.06494	1.4
145.10098	13.6
147.08015	1.6
147.11697	3.9
149.09615	4.0
153.06978	1.5
155.08549	4.1
156.09338	7.0
157.04945	3.5
157.10146	9.2
158.07256	1.1
158.10907	2.1
159.08054	3.1
159.11673	11.3
161.09644	3.3
165.06955	1.5
166.07668	1.4
167.08513	2.9
168.09312	1.6
169.04953	3.4
169.10089	7.0
170.10881	7.6
171.08015	2.0
171.11690	12.6
172.08780	3.3
172.12437	1.8
173.09555	8.4
173.13245	11.4
175.11191	2.5
179.08568	2.9
180.09286	1.7
181.10103	7.0
182.10884	2.6
183.11667	6.3
184.12537	1.0
185.09621	2.6
185.13284	6.6
186.10204	1.1
186.13910	1.2
187.11148	4.2
187.14781	12.0
188.11957	2.0
189.12721	1.9
192.09277	2.8
193.10091	4.9
194.10916	2.6
195.11638	7.8
196.12462	5.5
197.09613	2.4
197.13197	5.1
198.14029	2.2
199.11192	2.7
199.14798	1.8
201.09084	3.4
201.12683	3.5
203.14325	1.2
206.10878	2.0
207.11662	6.1
208.12335	1.7
209.09608	2.6
209.13278	4.1
211.11176	3.8
211.14754	13.4
212.12024	1.1
212.15251	1.1
213.09198	1.3
213.12692	1.7
213.16359	2.3
215.14320	4.8
216.15047	2.1
221.13245	8.6
222.13905	1.6
223.11191	2.0
223.14825	2.6
225.12735	2.8
226.13512	2.8
227.10591	2.3
227.14255	1.7
229.08772	1.2
229.15840	9.3
233.13298	1.1
235.14801	1.6
236.15552	8.6
237.16356	2.9
239.14247	2.0
239.17928	1.0
241.12248	1.2
241.15848	1.0
247.09639	4.5
247.14871	1.7
251.10655	3.3
251.14307	1.8
253.12198	1.2
254.16602	1.2
255.17422	3.6
260.11972	1.3
265.12131	1.1
265.15869	3.7
267.17456	1.0
269.11685	1.9
269.15268	2.1
271.13297	2.5
273.11182	2.1
275.14270	1.7
283.13962	1.4
283.16812	5.4
285.18369	1.4
287.12735	1.0
293.15302	12.1
301.14359	5.7
301.17706	2.2
311.16428	5.5
329.17422	100.0
330.17633	4.7
347.18469	12.9
389.19525	80.8
390.19815	2.9
540.27850	3.6
541.24194	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	540.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04250	2.1
55.01863	2.6
55.05510	4.0
57.54231	2.2
67.05500	6.6
69.03429	8.2
69.07059	10.4
71.04995	8.7
79.05479	9.6
81.03419	20.6
81.07062	11.6
83.04964	4.5
83.08604	3.0
85.02890	8.1
87.04464	4.3
89.06042	4.5
91.05466	19.2
91.41428	2.1
93.07043	14.1
95.04935	5.6
95.08618	9.4
97.02884	9.2
97.06540	6.1
99.04430	3.4
105.01873	3.9
105.07014	24.2
107.08585	16.9
109.06512	18.3
109.10117	3.4
111.08068	4.9
115.05460	2.5
117.07002	4.7
119.08585	32.6
121.06478	7.2
121.10144	7.5
123.08038	4.9
124.03918	8.1
125.05965	5.8
127.03928	19.8
128.06207	3.7
129.06999	8.0
131.08569	13.1
133.06485	5.1
133.10117	65.7
135.08035	18.9
141.06949	4.5
142.07756	8.6
143.08577	14.3
144.09300	3.8
145.10136	16.7
147.08032	10.1
147.11667	12.4
149.09607	7.9
155.08522	11.8
156.09357	13.6
157.10127	37.9
159.08041	9.9
159.11679	20.0
160.08829	4.1
161.09671	11.5
161.13234	6.8
165.07010	3.9
165.09052	2.6
167.08524	6.0
169.10143	12.4
170.10893	63.9
171.08023	3.9
171.11652	26.2
172.08789	8.5
173.08286	3.5
173.09627	19.8
173.13213	5.6
175.11174	16.8
175.14774	6.2
177.09090	4.3
178.07755	2.7
179.08560	6.1
180.09399	4.5
181.08524	7.7
181.10107	13.0
183.08057	3.4
183.11633	12.4
184.12459	6.6
185.09637	8.4
185.13237	79.6
186.10352	3.9
187.11104	12.2
187.14771	3.6
188.11978	3.9
189.09056	4.1
189.12781	3.3
192.09341	2.7
193.08549	4.4
193.10129	8.4
194.10892	8.7
195.11713	10.5
197.09634	3.4
197.13219	8.3
198.10341	6.0
199.11200	8.3
199.14792	6.2
200.11932	3.1
201.09064	3.3
201.12732	6.4
203.14307	51.2
207.11710	11.7
208.12413	5.6
209.09628	5.2
209.13228	19.6
210.10251	3.6
210.13747	2.7
211.11214	3.5
211.14854	9.2
212.11948	3.1
213.00273	2.6
213.09477	3.0
213.12784	24.6
214.13338	3.8
219.10104	4.9
221.13306	6.5
222.10300	3.4
222.13974	3.5
223.11162	8.8
223.14787	21.1
224.12125	3.1
225.12706	7.4
227.10716	3.6
227.14281	24.4
229.15831	10.4
231.13799	5.8
233.13214	4.5
236.11914	7.3
237.12721	4.5
237.16351	6.7
241.15959	4.7
245.15302	11.7
250.13559	4.8
251.14268	18.1
253.12396	3.3
253.15929	2.7
255.13905	3.1
255.17299	3.9
265.15826	13.3
267.13809	5.9
269.12375	2.1
269.15326	16.2
281.15283	2.9
283.16837	14.7
287.13376	3.7
287.16302	14.7
293.15384	12.6
301.17758	13.3
303.19598	2.5
311.16406	61.5
319.19116	5.1
329.17441	100.0
347.18484	17.2
371.18539	53.2
372.18668	2.7
389.19534	12.8
477.25146	3.4
540.27972	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	540.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
51.27647	0.5
53.03943	0.4
55.05516	2.4
57.07065	1.6
68.99785	1.9
69.07073	4.1
71.43619	0.4
79.23461	0.4
83.08619	2.0
91.05469	1.1
95.04987	0.6
97.10162	2.9
103.05466	11.2
103.57208	0.4
104.05793	0.6
105.07036	1.0
107.04922	1.4
115.05432	0.9
119.04933	1.1
123.11701	0.7
131.04922	28.1
131.08568	0.5
132.05241	1.4
133.06454	2.6
138.01811	0.8
141.07011	0.7
145.06467	4.0
147.04370	3.6
147.08044	9.6
149.09573	2.9
154.43294	0.6
155.04967	0.5
155.08488	0.7
156.02844	1.0
157.07620	1.2
159.08035	8.9
161.09619	2.5
166.01376	0.8
168.02899	1.2
171.04408	1.7
173.09599	3.0
175.11179	6.9
178.01357	6.3
180.02960	0.9
185.00945	0.6
185.09506	0.6
186.10370	0.5
187.11165	8.9
189.12732	44.3
190.13123	0.8
195.02843	1.2
196.02449	1.1
201.12733	31.7
202.13077	0.6
203.14319	4.5
206.00974	0.6
212.07111	0.6
215.06944	0.5
215.14290	8.9
218.00771	0.6
220.02463	0.7
221.00775	1.7
224.01810	2.1
229.15878	12.3
241.05009	0.8
243.06508	0.6
243.17427	5.2
245.00861	1.2
246.03720	0.5
248.01860	0.6
268.00803	0.7
270.07516	0.9
271.06030	0.7
273.00217	0.7
280.05930	1.3
282.07510	4.0
284.05569	0.8
285.22110	100.0
286.22519	3.4
287.01782	1.4
306.02432	1.1
315.01297	0.8
332.00412	0.6
333.02380	2.4
334.01825	0.7
350.10477	0.6
352.08163	1.7
380.07599	4.0
384.12357	0.6
391.07965	0.7
410.08850	1.1
417.04276	0.5
418.04489	1.2
419.07690	2.5
420.07074	1.7
436.06387	2.0
437.08325	0.8
447.27521	0.7
454.07227	0.7
495.13922	0.6
522.10907	3.8
523.12109	0.7
540.12738	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	540.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03935	0.7
55.05492	1.4
57.07074	7.7
58.06576	0.7
59.04977	0.5
59.60928	0.4
67.05493	1.8
69.07077	2.2
69.39870	1.3
69.40263	0.8
70.06596	7.3
71.08619	4.2
72.90645	0.5
73.02911	5.1
79.05485	5.0
81.07044	1.8
83.08624	0.9
85.10179	1.9
88.07624	8.2
89.06044	0.9
91.05492	1.1
91.77991	0.6
93.07040	1.2
95.04955	1.5
95.08616	2.4
97.10171	0.9
102.09174	6.8
103.05474	2.4
105.07022	100.0
106.07371	1.3
107.08585	0.6
109.10136	1.0
119.08582	0.5
124.03956	3.7
125.04245	0.6
131.08557	1.5
133.08681	0.5
147.08029	0.8
178.27579	0.4
209.13332	2.5
211.09634	3.4
212.60460	0.5
237.11258	1.1
251.14243	0.7
256.26321	18.1
274.27426	1.9
283.26364	4.9
284.29437	4.1
311.29428	17.1
315.15878	1.3
406.25165	0.5
417.20676	1.1
540.31042	2.0
540.53455	52.5
541.38806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
51.77138	0.4
51.81525	0.5
53.03956	0.6
54.72058	0.4
57.07060	0.8
62.53318	0.4
67.35712	0.3
69.56033	1.8
70.06570	0.4
74.33751	0.3
77.03924	1.2
79.05486	4.7
81.07043	0.6
81.65272	0.4
87.04457	2.5
88.07626	1.0
89.06027	22.5
91.05483	3.1
93.07024	3.0
95.04975	3.3
95.27277	0.4
102.09197	0.5
103.05457	5.2
105.04506	1.5
105.07024	100.0
106.07364	1.7
107.04970	0.5
112.99958	0.6
114.03791	0.7
117.07047	0.9
117.09127	0.5
119.04916	0.8
119.08588	1.6
121.06503	17.8
122.06841	0.5
128.06224	0.5
129.06990	1.0
131.07036	1.1
131.08591	1.9
133.08598	17.1
133.23439	0.4
136.05055	0.5
139.01512	2.7
142.98921	0.4
145.06493	0.4
147.08038	10.1
148.08398	0.5
149.09616	2.0
165.09097	5.6
175.09634	0.6
177.11215	4.1
180.65134	0.4
182.83582	0.4
183.04199	0.6
207.93861	0.5
209.11632	2.4
213.15265	0.4
221.13713	0.7
223.11148	0.7
225.12721	4.9
227.12817	1.8
249.12755	0.7
251.14378	1.1
256.26352	1.7
267.77325	0.4
269.15305	2.3
271.15469	1.0
311.29407	1.1
313.17908	0.9
315.18008	26.6
316.18436	0.7
373.21533	0.8
419.24304	8.5
445.27325	0.4
523.30377	1.1
540.53522	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	540.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
51.98336	0.4
53.03935	0.7
55.01847	0.3
57.07061	0.7
68.82114	0.3
69.23370	0.3
69.89503	0.8
69.89869	0.7
70.06580	0.6
71.08634	0.4
77.03922	0.7
77.32489	0.3
79.05484	6.0
81.07040	0.6
85.56496	0.3
85.62820	0.3
87.04468	3.1
88.07591	0.9
89.06023	24.2
91.05470	3.6
93.07038	3.7
95.04959	3.7
102.09138	0.7
103.05457	4.8
105.04526	1.1
105.07018	100.0
106.07350	1.9
107.04926	0.7
107.07092	0.4
112.85269	0.4
113.00025	0.8
114.03750	0.5
117.06996	0.7
119.04991	0.7
119.08550	1.7
121.06492	20.7
128.06139	0.4
129.06987	0.9
131.07018	0.7
131.08568	2.1
133.08591	16.7
139.01540	2.3
147.08020	7.9
149.09634	1.6
158.06409	0.4
161.42267	0.4
165.09102	5.8
175.09688	0.6
177.11217	3.6
193.12315	0.4
209.11722	2.7
209.13075	0.4
209.13425	0.7
221.13890	0.6
223.11136	0.5
225.12674	3.9
227.12744	1.5
251.14389	1.0
253.14250	0.4
256.26392	0.6
269.15427	2.3
271.15405	1.1
283.26184	0.5
311.16577	0.4
311.29364	1.6
315.17981	28.4
316.18274	1.1
361.72073	0.3
373.21613	0.6
419.24228	8.5
420.24155	0.4
523.30322	0.5
540.32159	22.1
540.53412	3.3
541.32642	0.7
541.54095	0.4
558.94537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	7.1
58.71868	0.3
69.12811	1.5
83.58325	0.4
85.00811	0.4
98.97577	67.0
99.97922	0.3
116.98614	42.6
118.44656	0.4
119.50206	0.4
134.99649	16.3
140.00151	0.4
145.47755	0.4
150.47649	0.4
153.00665	1.7
172.94302	2.2
184.63786	0.4
184.65430	0.3
190.95407	3.0
197.95209	0.4
207.00961	0.3
208.96442	1.1
214.95403	2.4
224.66875	0.4
227.43323	0.4
230.98645	0.4
232.96472	8.3
240.98599	0.7
250.97603	4.7
256.96405	15.2
258.99762	7.8
260.00046	0.5
268.45490	0.3
274.97498	100.0
275.97842	1.9
276.98087	0.4
277.00827	9.8
277.09317	0.4
278.00937	0.4
282.99838	1.8
284.99875	0.4
290.95551	1.5
292.98547	61.4
293.98947	1.1
297.99155	1.3
298.97678	1.7
299.98083	0.4
301.00879	1.8
302.01056	0.9
303.00662	0.6
310.99457	0.6
314.95264	0.8
316.00308	0.6
316.98782	3.8
317.99091	0.5
332.96683	1.3
343.02188	0.6
350.97601	0.5
351.12534	0.4
356.96976	0.5
359.42786	0.4
374.97733	2.3
382.99774	0.8
398.97589	18.8
399.97794	0.7
401.00922	2.4
416.98666	47.8
417.98782	2.9
434.99841	7.8
435.99799	0.5
440.00116	1.4
444.02118	0.8
456.96677	1.6
458.99854	0.8
474.97623	0.6
498.97684	0.7
540.98840	13.9
541.99011	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	541.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14723	1.5
55.05533	1.7
56.96564	2.8
58.54497	1.4
69.14642	9.2
70.06579	1.7
84.96056	1.4
92.59686	1.3
98.97549	7.0
100.11274	2.9
114.09224	1.9
116.98642	4.2
121.02879	1.7
127.52855	1.3
128.98607	1.8
129.06055	1.4
151.03944	2.5
158.99702	2.6
163.61647	1.4
177.00749	1.8
179.03851	3.1
182.15512	2.0
219.01781	5.5
221.05003	5.1
237.02858	8.1
255.01784	1.7
323.07974	10.0
341.09210	6.4
365.09360	3.5
383.10358	2.0
455.12256	10.0
473.13593	1.9
497.14203	20.9
521.96979	1.5
540.41718	2.9
541.13281	100.0
542.13617	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	541.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49125	0.7
55.01871	0.8
58.22230	0.7
70.06596	0.9
71.41518	0.8
76.48212	0.7
79.38824	0.9
85.02903	1.2
91.05488	1.3
97.02874	1.0
109.02879	1.4
114.12946	0.8
121.02842	0.9
127.05024	0.8
129.07007	2.1
130.07385	0.9
131.08557	1.0
151.03847	0.9
157.06487	1.1
159.07990	0.9
174.06781	2.3
175.07129	1.4
185.04218	1.0
189.09085	4.8
190.09441	1.9
201.09019	1.5
202.09523	1.0
203.05264	1.7
205.04723	1.1
219.10144	16.4
219.12103	1.4
220.10486	12.7
220.91861	0.9
224.36185	0.8
235.17258	0.8
289.69327	0.8
293.09961	6.9
321.09445	0.9
349.58432	0.8
379.09918	8.3
391.08936	0.9
447.62280	0.9
455.15128	8.8
497.16290	43.4
498.16620	2.0
523.12628	1.1
529.15344	0.8
530.01111	0.8
541.15198	100.0
542.15454	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	541.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04410	0.7
55.01863	0.7
58.10104	0.6
68.99786	6.3
69.47855	3.1
91.05465	1.8
92.01346	1.1
95.01324	1.6
95.04958	2.9
98.23483	1.0
99.10153	0.6
103.05465	42.0
104.05807	1.4
105.03403	1.8
105.04522	0.8
105.07021	2.1
109.01588	0.7
110.02460	0.7
110.70954	0.6
115.05458	1.5
128.06230	0.8
129.06976	0.8
131.04926	100.0
132.05243	2.5
134.02385	0.8
138.01880	4.1
140.03423	5.0
141.07010	1.5
143.04854	0.9
143.91663	0.6
155.04912	0.7
161.01086	2.4
162.01901	1.0
166.01399	1.8
167.02168	1.5
168.02980	1.6
169.01309	1.2
169.06512	1.2
176.03427	0.7
178.01387	3.7
181.06386	0.8
183.02928	1.1
184.02452	1.5
185.00832	4.6
185.02269	0.7
190.01369	1.8
191.02208	0.7
194.04442	0.7
195.03073	0.8
197.06026	1.8
197.81343	0.7
204.02940	2.7
207.01559	0.7
208.02455	3.2
213.00314	2.8
215.99353	0.9
216.03050	0.8
218.00873	1.1
224.06947	0.8
225.05428	1.6
232.02390	1.0
233.01933	15.0
233.04138	1.1
234.00337	20.5
234.02658	4.2
237.00259	0.8
241.04820	1.3
242.08054	1.4
246.98729	2.5
250.45947	0.7
251.03006	8.2
251.06979	1.2
252.01399	7.9
252.03810	3.5
253.04938	1.0
256.26324	0.8
260.01843	2.0
262.03333	0.7
264.99841	1.9
270.07614	38.7
271.05975	4.3
271.08359	1.9
272.01892	1.6
272.09177	1.4
273.07660	0.9
280.06076	0.8
288.01318	1.2
290.02878	1.4
294.07553	1.9
325.08151	0.8
337.08170	28.3
338.08960	9.2
339.09680	2.5
351.05243	0.8
351.09692	2.4
364.08337	2.3
366.09576	0.8
376.08005	1.4
392.07291	1.0
394.09290	4.0
420.07147	2.1
455.33038	0.7
478.12592	0.9
480.14688	0.9
496.13861	3.4
506.12106	1.5
523.11847	1.6
524.13269	4.2
541.13080	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1893
Annotation	IRIGENIN, DIBENZYL ETHER
Peak:m/z	Relative Intensity
58.75754	0.2
62.96207	0.3
69.26724	1.5
70.06600	0.8
78.17529	0.2
85.02889	0.3
119.05018	0.3
121.02861	1.4
147.04385	0.4
174.15089	0.3
193.72734	0.3
199.77933	0.3
219.02838	0.7
220.03113	0.6
225.96825	0.3
270.22046	0.3
353.12094	2.4
481.16760	0.9
489.59555	0.3
497.24045	0.3
541.18903	100.0
542.19293	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	541.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93754	1.0
55.05511	2.5
57.07076	9.2
60.75503	1.0
67.05515	1.6
69.07075	3.3
70.06579	6.6
71.08639	6.2
71.43799	1.1
73.02917	1.5
79.05510	2.1
81.07064	3.0
83.04941	1.8
83.08608	1.2
85.10180	4.1
87.04460	2.0
88.07618	9.7
89.06020	4.1
91.05486	3.0
93.07040	3.1
95.04969	1.6
95.08611	3.5
97.10178	1.3
98.20641	1.4
102.09170	7.4
103.29066	1.3
105.07039	7.0
107.08572	1.2
109.10162	1.2
119.08546	1.3
121.06519	3.4
133.08607	2.1
139.01561	2.3
162.13994	1.1
165.09096	1.7
165.90182	1.0
171.98129	1.2
177.11305	1.3
178.80101	1.0
247.81639	1.2
256.26331	16.3
257.26639	3.9
283.26355	2.9
284.29538	2.9
311.29428	12.2
312.29657	6.1
331.93256	1.2
342.82901	1.2
393.27777	4.1
442.36353	1.2
453.29800	8.7
481.32837	5.2
540.53467	31.5
541.34937	100.0
541.53625	27.8
542.35175	4.3
556.21674	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	542.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	5.5
58.74900	0.5
60.85295	0.5
67.01872	1.8
68.99777	13.2
69.77088	0.8
69.77435	1.7
70.02961	1.5
70.06598	0.9
80.01357	0.7
82.02940	0.7
88.07621	0.8
91.18612	0.5
92.01382	1.3
98.02405	0.8
102.09151	0.6
103.05476	2.2
105.03364	0.9
110.02390	11.8
131.04930	2.8
132.05275	0.6
132.85431	0.5
136.03928	0.9
136.81825	0.5
138.01851	81.8
139.02142	0.7
140.03416	1.6
141.07001	1.3
149.05998	1.2
152.75754	0.6
153.01804	2.0
155.04913	0.6
156.02856	4.2
157.06482	0.8
164.03403	2.4
166.01347	100.0
167.01868	1.9
168.02917	4.3
178.01282	0.6
179.03378	1.0
184.02409	17.2
185.00798	1.1
185.05916	0.9
192.02759	0.5
197.05995	1.1
207.49298	0.5
214.08531	0.8
221.94165	0.5
225.05455	16.6
228.23203	1.8
230.08113	2.0
241.04942	11.0
242.08084	9.7
255.06470	1.1
256.06750	0.9
257.07913	1.0
258.07596	10.4
270.07581	42.7
271.08148	1.0
273.07327	1.0
274.56790	0.6
286.07068	30.0
287.07477	0.6
341.10107	1.9
398.07861	0.7
420.07202	0.6
422.08090	1.1
524.13049	1.3
542.14148	3.3
542.30603	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	542.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04409	1.0
68.99780	8.8
69.12489	7.1
74.91581	1.0
75.13755	1.2
87.43696	1.2
91.05471	5.0
93.33998	1.0
103.05457	26.0
105.04456	1.3
105.07019	3.7
112.74480	1.3
115.05438	10.7
120.83778	1.3
121.06488	3.5
122.02328	1.9
122.67437	1.1
128.06221	1.6
129.06996	6.8
131.04915	83.3
132.05263	4.9
134.02370	1.1
138.01855	5.4
139.00215	2.3
140.03473	1.2
141.06993	3.6
142.06572	6.5
145.06436	1.9
150.01828	2.2
153.06984	3.1
155.04880	7.1
155.06013	1.8
157.06497	6.9
166.01357	4.9
167.02127	9.2
168.02917	9.4
169.01369	1.7
169.06566	1.8
170.05977	6.0
178.01349	6.0
180.08214	1.2
181.06458	1.6
182.05981	1.3
184.07536	5.3
185.00760	7.3
185.03209	4.3
190.01363	5.3
192.02902	1.9
195.04617	1.4
196.07587	2.5
197.05986	2.5
198.09137	2.9
199.03912	4.3
200.67854	1.1
203.34224	1.1
204.02946	2.0
208.02335	2.1
209.05972	1.5
210.09065	1.5
212.07050	15.8
216.02831	1.6
218.00821	46.4
219.01123	1.6
222.05469	2.4
224.07083	3.8
225.05391	7.5
226.08598	7.3
230.08057	1.3
232.02335	1.9
236.07045	3.0
238.04959	4.6
241.04985	3.9
242.08157	2.4
246.00305	2.3
248.06963	1.6
250.08487	1.3
252.06613	4.3
253.04958	4.1
254.08168	8.3
256.05923	1.7
260.01910	5.1
264.06537	4.4
266.08102	2.7
270.07675	4.1
271.05942	4.7
271.08435	3.7
272.01788	1.5
272.09192	6.5
278.08124	2.0
280.06027	31.4
282.07602	7.2
288.01361	31.2
288.06216	1.6
292.05988	2.7
294.07599	1.6
296.09143	2.9
297.99631	1.4
298.07150	3.9
301.01987	1.6
306.02335	2.2
306.07455	2.3
310.06998	3.9
316.00897	17.7
318.02298	2.5
322.07095	17.0
332.05396	2.4
334.01855	3.3
338.10440	1.2
346.07098	1.4
351.10446	3.0
352.10986	1.6
358.06946	2.3
360.05063	1.7
364.08081	4.2
374.06482	2.5
376.08112	3.6
378.05643	1.6
384.12259	27.3
392.07602	30.7
402.06192	2.3
420.07108	58.6
421.07178	1.4
422.08524	5.2
426.13229	2.5
438.13351	3.4
464.11478	2.9
468.14560	8.6
478.12466	3.5
480.14145	7.0
496.13797	30.2
497.13657	1.6
506.12244	6.1
524.13367	100.0
525.13483	4.9
542.14178	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	542.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01891	0.6
54.03468	3.6
55.42231	0.6
59.06364	0.6
67.01859	1.9
68.99780	10.7
70.02934	1.6
91.05466	1.5
92.01338	1.1
95.01344	1.2
98.02419	1.0
103.05457	2.5
105.03381	1.0
105.07021	0.9
107.11905	0.6
110.02401	8.6
112.03975	2.0
115.05437	0.6
122.02344	0.7
128.77724	0.6
131.04922	4.4
138.01855	66.6
140.03424	10.8
141.06973	1.6
145.50421	0.6
146.20601	0.6
152.03421	0.6
153.01804	4.5
155.04921	0.6
156.02884	2.9
156.08044	0.6
164.03445	1.1
166.01349	70.4
167.01898	0.9
168.02916	31.3
169.01324	0.8
169.03256	0.7
169.06502	1.2
171.04390	10.3
172.04814	0.9
178.01376	1.7
179.03423	1.3
180.02928	2.7
181.03212	0.8
184.02396	13.3
184.07542	0.6
185.00769	1.5
185.03233	0.9
185.05885	0.7
191.87033	0.7
195.04445	0.9
196.07605	4.5
197.05943	1.1
212.07027	1.9
214.08658	1.0
222.05437	0.7
223.03833	3.1
225.05449	22.0
240.06546	42.0
241.04823	1.8
241.06987	1.5
242.08089	20.0
243.08481	0.6
253.05006	1.3
254.05292	1.1
255.06357	2.4
256.06827	1.5
257.07788	1.2
258.07718	0.9
268.06042	39.9
269.06393	1.1
270.07590	100.0
271.05658	1.4
271.08084	1.9
272.09149	0.7
273.07593	1.7
285.09534	1.2
286.07083	76.8
287.07294	1.6
314.02826	2.2
340.07877	0.8
398.08121	0.9
418.09140	1.7
421.07233	0.8
422.07962	1.1
443.33624	0.7
455.20187	2.1
482.12173	0.7
489.40121	0.8
506.11209	2.0
524.12830	5.9
542.14038	9.6
543.25616	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	542.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79410	1.6
68.99787	86.8
70.02950	3.9
70.06999	4.0
79.35098	1.7
83.03713	4.9
95.01334	1.7
98.02380	3.2
101.09641	1.5
103.05477	8.4
105.07020	20.5
110.02435	2.0
111.03165	11.1
126.01788	1.4
129.33801	1.6
131.04932	11.9
138.01884	20.0
139.00288	8.0
139.02628	6.7
140.03424	15.4
165.07416	1.5
166.01372	24.9
166.99911	18.1
167.02126	89.2
168.02916	76.5
169.03294	2.1
177.57443	1.8
178.01329	1.9
184.02428	6.1
185.00800	100.0
185.03185	28.5
189.29364	1.8
194.00807	13.0
212.01898	20.2
215.07086	3.5
220.02446	2.0
221.59985	1.5
225.05455	9.6
228.06400	2.3
230.00896	1.9
242.08147	9.7
243.06450	2.8
270.07608	32.7
271.05951	73.8
271.08438	58.5
272.02054	2.0
272.06561	3.5
272.09131	66.7
288.01318	5.2
297.99817	5.8
298.07071	17.9
298.98102	3.9
299.07440	2.2
316.00806	11.9
316.99124	4.4
357.03873	4.4
392.07608	3.7
402.06070	3.5
420.07220	11.1
473.66797	2.3
478.12704	5.2
506.12088	2.9
524.13263	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	542.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95331	1.1
52.48644	1.2
54.03474	6.1
67.01855	2.5
68.99776	15.0
69.08141	8.5
70.02963	1.5
70.06593	2.2
71.43400	1.2
74.72811	1.2
92.01359	1.1
92.98184	1.2
93.60996	1.1
95.01337	1.2
98.22715	3.2
100.82464	1.1
103.05457	11.2
105.03384	1.3
105.07031	3.8
110.02411	8.6
122.02322	1.2
131.04913	23.1
132.05257	1.1
136.03937	1.3
138.01851	76.4
139.02171	1.8
140.03404	1.3
141.07074	1.7
147.00787	1.7
156.02840	6.7
163.00256	1.3
164.03439	1.9
164.07050	2.7
165.01843	3.6
166.01343	90.2
167.02135	3.5
168.02905	8.7
169.01308	6.1
171.04382	2.4
173.06110	1.7
183.02956	1.8
184.02402	21.8
185.00789	7.8
185.03217	1.7
193.01358	3.0
197.00885	1.8
197.06017	1.2
200.07126	1.1
209.00793	1.7
214.99699	4.9
215.07042	1.4
218.99315	1.2
220.02333	2.1
221.00760	2.5
225.00346	3.8
225.05464	29.4
230.99161	1.4
233.00810	5.1
237.00247	2.0
241.04897	1.2
242.08113	26.6
242.99236	2.0
249.00165	4.5
253.04845	1.7
270.07593	100.0
271.05981	4.8
271.08267	4.9
272.09122	4.1
273.07623	1.7
288.99719	8.7
294.04849	2.5
295.05942	2.0
298.98282	5.3
316.00916	2.8
316.99249	10.7
319.05878	1.6
335.00467	1.4
347.05466	1.2
352.08313	1.3
353.06360	9.4
375.04987	1.8
393.06104	1.2
403.04367	2.8
417.49857	1.2
421.05576	17.4
422.06107	1.6
438.08435	2.3
461.09802	1.5
475.90967	1.3
479.11362	1.4
499.12592	4.0
507.10464	5.9
524.13483	1.3
525.11633	1.9
542.16888	1.8
542.25446	2.5
543.11023	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	542.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02694	0.8
54.03467	3.5
58.98248	0.9
67.01849	1.5
68.99780	16.0
69.00114	1.4
69.03410	1.1
70.02962	1.1
70.40449	2.0
91.05490	1.9
92.01320	1.3
96.04493	4.4
98.02425	0.9
103.05460	10.5
104.05755	0.9
105.03336	1.1
105.07019	2.4
107.04932	2.2
110.02409	7.2
112.44090	0.8
115.05458	1.9
121.06469	1.6
129.06966	1.4
131.04921	28.6
131.05907	1.7
132.05247	1.6
138.01849	83.4
139.00258	1.5
139.02208	1.0
141.06979	1.1
142.06569	1.6
145.06485	0.9
147.04424	2.1
151.54268	0.8
153.01823	37.4
155.04843	1.3
156.02846	5.5
157.06511	1.4
164.03406	1.9
166.01350	100.0
166.87552	0.9
166.99815	1.2
167.02116	11.6
168.02905	7.7
169.01341	1.1
171.02879	1.7
178.01346	2.3
179.01854	1.0
179.03389	2.9
180.02744	1.9
181.03125	0.9
183.04453	0.9
184.02403	21.3
185.00827	8.1
185.03214	4.7
190.01289	1.6
192.02777	1.0
197.05971	2.2
210.09248	1.0
212.06998	1.8
214.08669	1.8
215.06960	1.3
218.00850	8.3
219.01405	1.6
224.07193	1.1
225.05434	29.1
236.07117	1.2
237.71252	1.0
241.04945	3.3
242.08072	24.4
252.06712	1.2
253.04994	2.0
255.06477	2.4
256.06833	2.9
257.08057	41.9
258.07883	3.0
264.06769	0.9
269.04221	1.2
270.07593	92.5
271.05679	6.0
271.08514	6.7
272.06378	1.4
272.09235	2.5
273.07480	2.0
280.06027	5.6
281.06647	1.0
282.07495	2.2
283.07999	1.0
286.07092	6.4
288.01389	5.1
297.99924	1.0
316.00879	4.0
318.01828	1.3
322.06998	3.0
364.08279	1.4
374.06747	1.0
376.08163	1.2
384.12338	4.3
392.07571	4.2
398.08194	1.3
404.06943	0.9
420.06976	12.2
421.07254	3.5
422.08582	33.9
423.09146	1.2
438.07755	1.1
468.14264	1.3
496.14111	5.9
524.13251	22.1
525.13538	1.2
542.14063	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03462	3.3
62.48589	1.2
67.01884	2.9
68.99791	67.2
70.02966	2.9
74.34286	1.4
83.03727	2.6
83.24651	1.4
89.24496	1.3
90.33988	1.7
90.75919	1.2
91.05498	4.3
95.01303	1.7
97.63512	1.2
98.02456	1.8
103.05476	21.4
104.05815	6.0
105.03431	1.9
105.07027	18.4
110.02395	9.0
111.03214	3.4
113.59827	1.3
115.05431	1.2
126.01881	2.3
131.04929	58.7
132.05244	12.9
138.01865	68.1
139.00259	7.8
139.02632	1.6
140.03462	6.7
141.07043	2.5
147.00754	2.6
156.02968	3.3
163.00433	1.6
165.01875	6.0
166.01363	92.0
166.99876	11.1
167.02135	31.8
168.02924	35.7
169.01324	7.5
183.04439	2.0
184.02417	15.2
185.00815	65.1
185.03189	11.8
186.01228	2.5
187.03912	8.7
190.99687	2.1
192.02690	1.7
193.01265	2.5
194.00862	4.9
205.01346	2.1
212.01965	6.2
213.00293	4.3
214.99776	3.8
215.07147	2.1
218.99271	1.6
221.00813	1.7
225.00322	3.6
225.05461	27.7
230.99266	1.8
233.00818	4.2
237.00337	2.6
241.05057	1.8
242.08102	23.1
242.99202	2.1
243.06503	2.2
246.98851	2.2
253.04965	2.5
264.99847	2.0
270.07608	100.0
271.05994	54.2
271.08453	22.1
272.06384	7.2
272.09180	25.4
273.07593	2.6
288.01367	3.9
288.99789	7.4
295.05746	1.7
297.99921	1.8
298.07166	4.9
298.98212	8.1
310.02252	5.3
311.02701	2.9
316.00894	5.2
316.99359	9.6
319.05826	1.6
335.04834	1.6
336.41565	1.5
347.05441	1.9
393.06000	2.9
403.04483	4.5
411.07037	3.2
420.07007	4.2
421.05655	12.6
479.11542	2.5
507.10776	6.1
524.13068	2.9
528.12823	2.0
542.08282	3.9
542.14490	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	542.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09021	1.2
53.03944	6.4
55.01862	7.2
55.05521	1.4
57.03434	7.2
59.11922	1.2
61.02913	5.2
62.06077	1.7
67.05496	1.9
68.99806	2.2
69.03064	2.2
69.03424	35.0
70.06577	6.1
70.77052	1.8
71.01349	2.0
71.04989	5.6
72.08132	1.4
73.02911	11.5
79.05501	2.3
79.72774	1.2
79.75528	1.2
81.03409	24.5
81.07076	1.5
83.01342	1.3
83.04993	2.4
83.08606	2.7
85.02901	100.0
86.09737	2.3
87.00278	2.4
87.00821	45.1
87.04464	1.5
91.03935	1.7
91.05471	1.8
95.01314	12.0
95.07349	2.0
95.08610	2.0
96.08123	3.3
97.02886	33.9
99.00812	1.8
99.04459	12.7
101.02370	1.4
103.03950	2.3
105.01861	67.5
105.07023	1.5
108.08112	3.2
109.02872	33.0
109.03626	1.6
110.09674	6.0
111.08090	4.6
113.02375	4.5
115.03890	3.5
117.01851	2.3
119.08618	1.8
120.08094	5.1
121.02841	1.4
121.10152	1.5
127.03908	73.0
129.01837	3.1
135.08015	1.9
136.07573	1.9
138.05505	2.5
138.09111	6.1
139.07526	2.2
141.01801	19.4
141.09088	5.3
145.04958	29.5
146.05983	2.4
147.02887	2.4
151.07542	3.0
159.02867	18.0
166.08627	14.5
189.03883	3.2
191.10669	3.1
209.11711	9.6
213.03893	5.4
225.10103	2.0
229.15523	2.7
231.04948	29.7
237.10312	1.9
249.06061	11.2
265.09753	4.2
267.11456	1.5
269.13867	5.2
273.06116	1.8
281.09290	2.2
283.10770	2.8
285.05807	1.9
293.09283	1.9
295.11768	15.8
311.10107	2.3
313.12634	6.8
321.08789	1.5
327.09714	3.5
331.13882	2.1
339.09689	3.0
359.12283	2.8
371.11966	1.6
400.38641	1.5
446.16965	1.7
464.17880	3.2
470.01117	1.4
492.17886	7.3
512.98285	1.3
542.25214	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	542.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71564	9.4
67.05514	17.0
69.03403	11.1
71.43501	10.9
81.07034	10.2
81.15269	9.5
85.02882	13.8
87.04467	100.0
92.03995	9.6
105.06990	19.8
107.04947	12.3
136.28673	10.5
138.05464	16.0
143.08521	9.9
218.16209	10.3
264.09528	11.7
301.06522	10.4
411.74338	11.0
499.12088	15.4
510.21310	19.9
542.22101	14.7
543.10840	88.5
543.20734	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	542.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01868	3.0
55.05505	0.8
57.03440	7.2
58.81754	0.9
60.04522	1.0
61.02914	3.4
67.05502	1.9
68.99778	1.0
69.03065	1.8
69.03429	25.4
69.27919	4.0
71.04991	2.2
71.08266	1.4
71.08630	18.7
73.02901	2.2
79.05509	0.8
81.03410	12.9
81.07039	1.3
83.04993	2.4
85.02903	36.0
87.00825	16.8
87.04482	5.6
91.05479	1.1
95.04958	1.0
97.02895	25.2
98.23486	1.5
99.04453	6.9
99.08091	29.2
105.01150	1.2
105.01866	23.6
107.04971	0.8
109.02873	16.2
109.10162	1.5
111.04434	1.1
115.03928	6.5
127.03912	35.4
127.11187	31.2
129.01840	1.2
133.04967	3.5
138.05501	2.9
139.03905	1.6
145.04942	9.7
145.12228	100.0
146.12552	1.4
147.02867	1.1
150.07632	2.8
151.03870	1.1
159.02885	5.5
177.05467	1.1
206.03053	0.9
208.09822	0.8
213.03918	4.5
231.04976	13.9
249.06003	3.5
327.07089	1.6
345.08191	3.1
357.15262	1.1
361.02292	8.1
375.16193	1.0
379.03391	1.5
394.19672	0.8
541.45245	1.0
543.21844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
59.04988	1.7
60.53287	0.5
61.02909	0.6
63.12911	0.6
69.03422	1.8
69.30552	2.3
70.06573	5.7
72.08141	2.1
79.05507	0.8
80.52077	0.5
81.03419	1.3
81.07065	1.2
84.08140	0.7
85.02891	6.2
86.09695	1.8
87.04459	2.4
88.08852	0.6
91.05453	1.7
94.04172	2.8
97.02901	3.1
98.23428	1.5
103.05453	5.7
105.05491	1.9
105.07019	2.9
107.04906	1.8
109.02888	0.8
109.06520	1.5
115.05498	0.9
117.07005	0.9
119.04936	0.7
121.06491	2.3
122.03642	7.0
123.08028	0.8
127.03912	2.7
128.06273	0.9
129.06966	0.8
131.04942	8.9
133.05528	1.3
133.06480	16.4
135.08037	5.0
137.05966	100.0
138.06310	1.3
143.08514	0.8
145.04997	1.5
145.06468	4.6
147.08012	1.4
149.05977	1.7
151.07520	5.8
157.06499	1.5
159.08195	0.7
163.07529	30.6
171.07982	2.3
172.54007	0.6
174.06624	1.4
175.07460	2.0
177.09119	1.0
187.07536	0.8
188.08266	1.1
189.09059	3.9
191.10561	0.8
203.10640	3.0
219.10089	2.0
220.10506	1.5
229.15536	1.3
231.08609	1.1
245.09616	0.9
263.10638	2.1
295.13248	16.3
296.13766	0.9
324.09805	0.7
327.15884	23.9
328.16467	0.6
341.11673	0.8
345.17047	0.8
542.22137	1.0
542.30200	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	542.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03155	0.1
52.20533	0.1
53.03937	0.3
59.67398	0.1
67.54559	0.1
69.15596	0.4
69.16001	0.3
69.86242	0.1
72.85811	0.1
78.03452	0.7
80.05009	4.1
87.83462	0.1
91.05477	0.1
93.07053	0.1
95.08599	0.2
96.04486	3.1
105.06985	0.2
105.34048	0.1
119.08559	0.5
124.03941	100.0
125.03527	0.1
125.04281	1.2
131.08604	0.2
140.03404	0.2
145.10077	0.1
149.09601	0.1
155.07025	0.1
157.10103	0.1
159.11604	0.2
171.11536	0.2
173.13275	0.1
235.14711	0.1
245.82043	0.1
313.17960	0.4
349.43832	0.1
355.99631	0.1
542.27435	13.5
543.27795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
52.01889	0.1
53.03943	0.3
53.41356	0.1
53.41618	0.1
54.10155	0.1
59.60828	0.1
62.47272	0.1
67.05500	0.2
67.55570	0.1
69.07066	0.2
69.73593	0.4
71.07391	0.1
75.85931	0.1
78.03446	0.4
79.04240	0.1
79.05492	0.2
80.05010	3.9
81.07041	0.4
86.09700	0.5
93.07015	0.2
95.08569	0.2
96.04485	3.3
104.65903	0.1
105.03391	0.2
105.06992	0.2
124.03944	100.0
125.04276	1.0
137.45172	0.1
140.03407	0.2
146.98119	0.6
159.11632	0.2
214.46918	0.1
217.83223	0.1
228.23262	0.1
325.82660	0.1
337.27292	0.2
483.24847	0.7
542.27368	7.3
543.27112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70887	0.2
53.03943	0.4
58.24537	0.1
62.89434	0.2
67.05492	0.3
69.07047	0.2
69.09841	1.3
71.04974	0.2
78.03477	0.8
79.80942	0.2
80.05015	4.7
81.07037	0.2
86.63903	0.1
91.05453	0.2
93.07061	0.2
96.04493	3.0
101.06020	0.6
105.07040	0.3
106.02911	1.1
119.08533	0.2
120.08144	0.2
121.10030	0.2
124.03947	100.0
125.04297	1.3
131.08580	0.2
133.10182	0.2
143.08557	0.2
145.10100	0.4
155.07053	0.5
157.10136	0.3
158.80478	0.1
159.11679	0.6
169.10117	0.4
171.11667	0.4
182.10948	0.2
183.11736	0.3
184.12407	0.2
185.13264	0.2
187.14645	0.2
197.13252	0.6
198.27931	0.2
211.14792	0.4
220.12492	0.4
221.13264	0.2
235.14824	1.5
253.15886	0.3
271.17004	0.2
295.17029	1.1
313.17950	2.0
324.72641	0.2
331.18890	0.3
400.01276	0.2
454.22260	0.6
542.27496	7.6
543.27777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18542	1.0
55.05501	2.0
56.93325	1.1
67.05507	2.7
69.03416	2.1
69.07046	2.5
69.13735	2.2
69.14132	6.3
78.03427	1.2
79.05489	5.0
80.05005	4.6
81.03419	3.0
81.07034	5.4
83.04957	2.1
89.06036	1.9
91.05508	5.8
93.07029	8.1
95.04962	3.7
95.08612	5.6
96.04470	3.6
97.02892	3.5
99.39265	1.1
104.20119	1.4
105.07023	10.2
107.04957	1.5
107.08605	4.3
109.02879	1.5
109.06506	1.6
111.04408	1.4
117.07030	2.0
119.08582	12.5
121.06524	2.3
121.10135	4.8
123.08059	2.7
123.11720	1.6
124.03949	100.0
125.04348	1.2
125.06032	1.7
127.01571	1.6
127.03913	3.4
128.06209	1.5
129.06990	3.1
131.08566	5.6
133.10136	7.9
135.08035	3.3
135.11597	1.3
142.07811	2.7
143.08578	5.6
145.10129	11.3
147.07993	1.7
147.11710	5.3
149.09625	1.6
149.13228	1.7
153.05498	1.1
155.08514	3.4
156.09320	3.8
157.10139	10.1
158.10831	1.5
159.08038	3.3
159.11729	7.8
159.64612	1.2
161.09578	3.7
165.07170	1.5
165.09167	1.4
167.08612	2.1
168.09323	1.2
169.10115	8.3
170.10858	3.3
171.11681	9.3
172.12532	1.4
173.09613	5.2
173.13232	5.8
175.11201	2.0
175.14868	1.3
179.08565	2.2
181.08731	1.7
181.10085	5.9
182.10899	2.7
183.11665	8.7
184.12418	1.6
185.09608	2.2
185.13246	3.9
187.11183	4.2
187.14825	9.4
188.11998	2.0
189.12755	2.0
191.10675	1.3
192.09247	1.4
193.10114	9.2
194.10901	2.6
195.11670	4.3
196.12442	4.1
197.09642	1.7
197.13263	8.4
198.14026	2.6
199.14819	1.6
201.12764	4.5
201.16484	1.4
203.10655	1.7
203.14311	1.4
205.10071	2.5
206.10803	1.3
207.11700	8.8
208.12410	1.0
209.13252	3.5
211.11208	4.6
211.14803	24.7
213.12869	1.3
213.16440	1.9
215.10777	1.6
215.14346	7.7
220.12444	4.1
221.13274	5.5
223.14813	2.3
224.11964	1.4
225.12831	1.3
225.16417	3.2
227.14404	1.5
229.15860	4.1
231.10051	5.8
233.13248	1.9
234.14015	1.9
235.14758	15.4
236.15413	2.3
239.17859	2.1
249.16467	6.3
253.12241	5.6
253.15929	3.4
257.11694	1.5
266.13086	2.4
267.17511	2.5
269.15643	1.6
271.13223	2.1
271.16861	2.7
280.14551	3.5
285.14731	3.6
285.18494	3.1
287.16422	2.4
289.17862	1.7
295.16937	24.8
303.19595	2.7
313.17947	57.5
314.18253	1.5
331.18951	13.0
373.20062	77.6
374.20105	2.4
480.12164	1.2
524.28540	19.3
542.28937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3093
Annotation	Corallopyronin B
Peak:m/z	Relative Intensity
51.02375	1.0
53.03943	1.0
55.05511	4.6
56.82570	0.6
57.07071	1.1
57.41810	0.6
58.06629	0.7
59.04996	0.7
60.08155	1.7
65.03928	1.0
67.05157	1.0
67.05499	12.3
69.07064	6.8
70.06563	0.6
70.97090	0.6
71.07363	1.6
71.43925	0.8
77.03889	0.7
78.03449	10.4
79.05485	13.2
80.05005	3.1
81.03395	0.7
81.07051	19.3
83.04950	0.8
83.08643	1.8
86.09698	9.0
89.06020	3.9
91.05466	10.7
93.07037	24.7
94.07337	0.9
94.61021	0.7
95.04955	3.4
95.08596	16.6
96.04476	3.4
97.10197	0.8
103.05473	1.1
104.10733	37.7
105.04555	0.9
105.07018	17.5
106.02907	53.0
107.04956	1.5
107.08582	22.8
108.08982	0.7
109.06499	1.8
109.10148	12.6
111.04429	2.3
111.11672	1.1
115.05479	0.8
117.07027	2.2
119.08561	9.6
121.06550	0.9
121.10134	7.5
123.08053	1.1
123.11697	6.4
124.03941	76.4
124.42881	0.7
125.04262	1.3
125.05991	1.9
129.06969	1.6
130.07764	0.8
131.08542	4.9
133.08594	2.6
133.10127	7.3
135.08041	0.9
135.11685	20.6
143.08612	1.8
144.09230	0.8
144.93430	0.8
145.10110	4.8
146.98157	3.8
147.08003	1.0
147.11658	4.3
149.13254	2.5
151.07550	1.0
153.09149	0.8
154.07779	1.0
157.10168	2.9
159.08141	0.8
159.11646	3.9
161.09615	0.9
161.13252	2.3
163.14883	1.1
169.10149	1.5
171.11707	1.6
173.09634	3.1
173.13271	1.7
177.09819	0.9
178.08614	7.1
183.11681	1.2
185.13220	2.0
187.11162	4.1
191.10641	1.4
191.17981	0.8
199.14850	1.6
201.12740	0.9
203.17996	0.9
205.12277	1.8
206.08116	3.2
213.12769	0.9
219.13895	0.8
224.09148	26.4
227.14311	1.6
231.13654	1.1
241.19513	1.0
245.15370	1.1
249.12825	1.2
255.21043	0.9
283.20474	0.9
285.22116	1.6
295.18924	0.7
301.21628	3.5
327.17499	1.6
405.21857	0.7
483.24713	17.9
524.30017	100.0
525.30310	5.9
542.31824	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	542.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29939	6.2
67.05489	10.3
69.07072	7.8
69.46503	25.7
74.20466	6.1
75.38715	6.0
79.05486	12.1
81.03405	8.9
81.07044	13.3
86.14923	6.5
89.06057	31.3
89.06543	6.7
91.05495	8.0
93.07039	11.0
95.08618	17.5
98.23475	13.7
105.07025	57.6
107.08583	9.9
110.98657	6.5
116.73077	6.4
119.08586	9.1
121.06487	9.7
121.10146	11.1
124.03938	24.5
131.08537	9.2
133.08551	12.7
136.78149	6.4
145.10092	6.8
177.11156	11.7
517.20813	8.4
541.53766	8.9
542.30890	100.0
542.53021	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	543.1113
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
56.31205	0.4
68.99797	0.9
69.03427	0.8
69.82166	0.4
69.82488	1.1
71.52972	0.4
81.03415	0.5
82.83524	0.4
85.02904	0.5
121.60465	0.4
127.03931	0.5
131.04958	1.0
169.04724	0.7
169.16518	0.4
185.00822	1.5
189.98700	0.9
190.99489	0.6
227.05264	3.4
267.91791	0.4
271.03879	2.6
294.04974	6.4
295.05777	11.5
377.05679	0.5
395.05734	6.4
457.11188	4.6
466.11942	0.5
474.71780	0.5
499.12091	32.3
500.12448	1.5
543.11090	100.0
544.11340	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	543.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.5
55.01865	0.4
67.01858	0.6
67.59756	0.4
68.99783	80.9
69.03427	0.5
69.18432	2.4
70.00106	0.7
76.71794	0.3
77.03912	0.4
79.01839	0.3
79.05465	0.4
79.78913	0.3
91.05469	1.2
92.99765	0.9
97.02867	0.4
98.47847	0.4
103.05447	8.1
104.05774	0.4
105.03389	0.5
105.07018	22.2
111.00775	1.4
112.01534	0.5
115.05476	0.4
123.00802	0.5
125.02334	1.1
129.07054	0.4
131.04916	19.3
132.05280	0.8
137.02292	0.5
138.01849	1.0
139.00241	9.7
139.01970	0.4
141.07002	0.4
147.00700	2.1
151.00264	1.2
155.04915	0.4
157.01407	0.7
157.06528	0.4
163.00221	1.4
165.01846	3.7
166.01367	1.1
166.99738	14.7
167.01878	0.6
168.00502	1.6
168.02899	0.7
169.01311	12.9
169.06432	0.5
173.05939	0.6
177.01778	0.5
183.02866	1.6
183.04344	0.7
185.00795	100.0
186.01361	2.3
187.03847	0.9
190.99718	1.0
193.01300	3.0
194.99260	3.2
197.00801	1.4
202.99841	0.4
205.01286	1.2
206.99234	0.9
209.00787	1.4
211.02281	0.9
213.00273	9.2
214.99702	2.7
215.07010	2.0
218.99210	1.5
221.00816	3.0
225.00267	3.8
225.05470	2.9
229.05000	0.6
230.99197	1.0
231.06372	0.4
233.00864	2.5
233.05840	0.4
237.00264	2.6
239.01741	0.4
242.99178	1.1
243.06454	4.6
243.08690	0.5
246.98720	2.7
249.00288	1.7
253.04951	2.4
255.06516	0.5
258.09000	0.5
261.00290	1.2
264.99664	0.6
270.07596	1.2
271.05963	76.1
272.06320	2.4
273.07529	9.3
273.10245	0.6
283.05981	0.4
288.96515	0.8
288.99747	14.1
290.00095	0.4
298.98236	3.9
299.05460	5.5
307.00867	3.5
316.99277	8.4
319.05798	0.6
325.06879	0.4
335.00250	2.7
347.05380	1.6
353.06125	0.4
357.03882	0.7
375.04703	1.1
393.05963	5.4
403.04379	3.1
411.07047	5.3
421.05469	12.7
422.05746	0.9
439.06528	0.6
479.11188	2.6
497.12384	2.3
507.10867	2.9
525.11713	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1288
Annotation	Diphysin
Peak:m/z	Relative Intensity
67.12567	0.9
68.99789	94.9
74.43794	0.8
79.05476	1.1
90.44678	0.9
91.05499	1.3
91.58667	1.0
95.04995	1.3
103.05466	5.4
105.07028	24.1
108.32569	0.9
111.00808	1.9
123.00842	1.5
125.02375	1.3
131.04913	13.9
133.03654	0.9
139.00258	11.7
147.00732	1.4
151.00238	1.2
163.00272	1.4
165.01842	3.0
166.99744	24.1
168.00410	1.6
169.01295	11.7
173.06088	1.2
183.02975	1.5
185.00809	99.8
186.01460	1.6
190.99738	2.3
193.01329	1.8
194.99303	4.1
197.00725	2.0
206.99265	1.5
213.00269	9.3
214.99770	4.0
215.07060	2.6
218.99281	1.5
221.00815	2.6
225.00352	2.2
225.05469	2.4
233.00754	2.4
237.00284	2.4
243.06487	4.9
253.04955	2.2
261.00159	1.3
271.06000	100.0
272.06433	3.3
272.11530	1.0
273.07559	11.5
288.99783	8.6
298.98303	4.1
299.05484	5.9
307.00858	1.6
316.99310	7.7
335.00400	1.3
375.04916	1.3
393.05994	3.8
403.04413	3.1
411.07123	2.4
421.05548	12.7
479.11310	3.1
507.10815	2.7
525.11920	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	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65815	0.6
61.31616	0.7
62.63763	0.6
62.81174	0.6
85.97269	0.7
86.77598	0.7
87.04469	0.8
88.49830	0.6
97.68736	0.6
113.28586	0.8
306.28369	0.7
369.01849	0.7
381.07928	19.3
381.12567	1.3
543.13226	100.0
544.13574	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	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40656	0.7
103.99408	0.8
185.32227	0.8
302.49695	1.0
370.90161	0.9
372.57037	1.0
381.07956	15.1
423.58429	0.9
491.84311	0.9
505.99667	0.9
522.69250	1.1
543.13214	100.0
544.13574	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	543.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39293	0.3
51.02370	0.3
53.03920	0.9
57.03434	3.6
61.02919	1.7
68.99773	0.7
69.03398	1.2
69.07384	2.1
70.30128	0.2
73.02879	0.9
77.03905	0.7
79.05479	0.3
81.03396	1.9
83.01336	0.4
85.02901	6.8
91.05446	0.7
93.03392	0.3
95.04969	2.3
97.02888	1.5
99.04500	0.3
103.03935	1.9
103.05438	3.3
105.03383	22.8
105.04498	1.0
105.06969	0.4
107.04963	2.3
109.02861	3.3
114.05502	0.3
115.05415	0.5
119.04946	0.4
121.02869	1.4
121.06471	0.7
122.03632	0.5
123.04403	0.3
129.03365	3.7
131.04913	2.0
133.06459	1.5
134.06749	0.3
135.04369	1.1
135.07919	0.3
137.05965	5.3
138.06271	1.0
141.06987	0.4
143.04893	0.5
145.02817	0.4
145.06473	0.8
147.04376	1.4
149.05984	0.5
151.03912	0.4
153.06946	0.3
155.04892	0.5
157.06415	0.4
159.04376	1.2
161.02278	0.8
161.05945	0.5
163.03905	0.4
163.07558	1.3
165.01834	0.6
169.06424	0.5
171.04350	1.2
173.02385	0.3
173.05952	0.6
174.06744	0.3
175.03870	2.2
176.01064	0.6
177.01759	2.9
177.05446	0.5
179.03337	0.9
181.06483	0.6
183.02829	0.3
183.04347	0.6
185.05981	0.7
187.03882	1.4
189.01804	5.4
189.05406	0.7
190.02658	0.3
191.03391	1.6
193.04886	0.4
195.02881	6.6
197.05957	0.7
199.03868	1.8
199.07468	0.3
200.04654	0.3
201.01837	1.0
201.05397	1.5
203.03362	14.4
204.03889	0.5
204.09209	0.4
205.04916	1.6
207.02850	4.4
211.03992	1.4
211.07452	0.4
213.05470	0.9
215.03346	2.7
217.01643	0.3
217.04919	6.7
219.02892	1.1
219.06523	1.1
221.04401	4.9
223.03963	0.4
223.07573	0.4
225.05463	1.0
227.03377	2.7
227.06824	0.5
228.09244	0.3
229.04912	4.8
231.02890	1.5
233.04430	1.0
235.02393	0.3
235.05826	0.8
237.05478	0.5
238.06152	1.0
239.03380	1.5
239.06929	0.7
241.04919	1.0
243.02907	2.0
243.06493	1.0
245.04517	1.2
247.02283	0.5
247.05847	0.5
249.09038	0.3
250.06075	0.4
251.07004	1.6
252.07709	1.9
253.04955	2.0
255.02876	3.5
255.06557	0.7
257.04373	2.1
259.05902	0.4
260.08252	0.4
261.04050	0.5
261.09058	0.5
263.07056	2.6
264.07666	0.9
265.05069	0.8
265.08594	1.4
266.05713	1.0
267.03021	1.0
267.06461	6.5
268.07306	0.4
269.04489	0.7
271.05829	0.7
273.03778	1.6
273.09036	0.6
275.07031	1.0
275.10638	0.5
276.07785	1.6
277.05484	0.6
277.08514	3.4
278.05774	4.5
278.09039	0.5
279.06485	100.0
280.07050	5.1
281.04434	1.2
281.08087	3.9
283.05988	0.7
285.03918	0.6
285.09183	0.6
287.07291	0.7
288.07788	1.4
289.08585	2.5
290.09366	0.7
291.06485	49.9
292.07199	6.7
293.04486	1.6
293.07959	9.4
294.08539	0.4
295.05991	0.9
297.07727	0.8
299.05505	0.5
300.07748	0.5
301.08563	4.2
302.09332	1.6
303.06479	3.9
303.10144	2.6
304.07291	4.9
305.08041	48.7
306.05200	1.2
306.08652	6.7
307.05975	3.3
307.09650	3.0
309.04181	1.0
309.07520	27.5
310.08072	0.7
312.07556	0.4
313.08566	2.9
314.09262	0.6
315.06448	2.0
315.10156	1.3
316.07309	1.6
317.05161	0.2
317.08038	14.6
318.08765	2.1
319.06018	3.0
319.09570	22.3
320.06760	2.6
320.10294	1.0
321.07547	11.2
321.11133	0.8
323.05655	0.5
323.09195	1.5
325.08383	0.6
326.09412	0.4
327.05917	0.3
327.10065	1.4
327.15759	0.4
328.07312	0.6
328.16428	0.5
329.08041	7.1
329.11725	0.6
330.08804	2.7
331.06058	1.4
331.09583	18.4
332.06580	0.7
332.10162	0.9
333.07526	62.4
334.07919	2.9
335.05466	0.6
335.09058	6.5
337.07401	0.6
339.09787	0.4
341.08081	2.9
341.11777	0.5
342.08890	0.7
343.05997	0.5
343.09546	2.6
344.06696	1.3
344.10480	0.7
345.07535	33.6
345.11261	4.7
346.08035	1.7
347.09088	8.4
349.06870	0.7
349.10596	4.5
351.04828	0.4
351.08575	1.3
353.08084	0.4
354.08823	0.4
355.09634	1.8
357.07516	11.6
357.11789	0.7
358.08109	2.3
359.05328	1.0
359.09079	13.1
359.12512	0.9
361.06952	1.7
361.10428	1.5
363.08575	15.2
364.09015	0.5
367.09506	0.6
369.07483	6.1
369.11432	0.7
370.08359	1.2
371.09125	4.1
372.09860	0.4
373.06805	1.2
373.10736	7.1
375.08588	35.2
376.09030	1.2
377.10010	1.5
381.09631	0.9
383.09045	3.1
385.06897	0.5
385.10794	5.3
387.08536	23.3
388.09045	0.9
389.10114	1.7
391.07953	0.6
393.09628	25.4
394.10071	0.8
395.09387	0.5
395.14365	0.4
397.10764	2.3
399.08505	7.8
400.09567	0.5
401.10153	3.5
403.08060	0.9
403.12558	0.4
405.09637	14.0
406.10098	0.4
409.09329	0.7
411.10773	59.7
412.11337	1.6
413.10120	2.3
414.10797	0.4
415.11926	2.2
417.09637	5.4
419.11328	0.5
421.09058	0.5
423.10730	15.0
424.11130	0.7
425.10028	1.5
429.09604	11.9
430.10004	0.4
431.11545	0.6
433.12933	0.8
435.10629	0.9
439.10095	0.3
441.09644	6.9
442.10245	0.5
443.11133	1.5
447.10693	8.4
451.13736	0.7
453.09857	2.9
459.10715	7.2
460.10760	0.4
461.12042	0.6
465.11765	34.0
466.12079	1.5
471.10672	6.6
472.11136	0.4
477.11780	9.0
479.13406	0.9
483.12875	3.0
489.11783	12.8
490.12341	0.8
495.12799	28.4
496.13220	1.1
499.95120	0.4
507.12830	41.9
508.13190	1.9
513.13733	0.7
525.13873	47.9
526.13953	2.3
543.14844	30.5
544.15308	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	543.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01872	0.8
55.05511	2.1
57.03445	0.8
59.05008	0.8
65.03937	2.2
66.37270	0.6
67.05513	3.8
69.03436	6.0
69.07066	1.8
71.43413	0.6
79.05502	3.9
80.91914	0.6
81.03416	100.0
81.07056	4.2
82.03765	0.8
83.04985	3.2
89.06035	0.7
91.05472	7.9
93.07050	3.4
95.04961	3.4
95.08604	2.0
97.02886	2.9
97.06551	1.2
99.04419	0.9
101.06033	0.7
103.05467	1.0
105.07024	9.6
107.04942	0.9
107.08592	5.8
109.02879	37.5
109.06512	1.3
109.10163	1.1
111.04453	1.7
115.05466	1.6
117.07026	5.1
119.08575	6.3
121.02863	31.5
121.06503	1.5
121.10126	1.3
123.04401	0.7
123.08073	1.4
124.03985	3.1
127.01640	1.3
127.03911	29.3
128.06204	2.1
129.07018	3.6
130.07796	1.2
131.04976	0.9
131.08568	8.6
133.06488	1.9
133.10133	2.5
135.08054	6.6
137.06021	0.9
139.03896	19.2
141.06995	2.1
142.07773	2.9
143.08571	6.1
144.09372	0.9
145.06490	2.2
145.10123	6.7
146.51563	0.6
147.04482	0.6
147.08029	2.0
147.11691	0.9
148.78600	0.5
149.06015	0.8
149.09647	1.1
153.06992	1.5
155.08566	3.8
156.09334	4.7
156.65976	0.6
157.06517	0.7
157.10101	6.7
158.10921	1.0
159.08076	1.5
159.11705	5.8
161.09589	1.8
161.13287	1.6
163.07547	1.2
165.06996	1.8
165.09201	0.6
166.07829	0.9
167.08563	1.4
168.09325	1.5
169.06505	0.7
169.10088	3.7
170.10883	0.8
171.08060	1.3
171.11682	10.0
173.09662	2.1
173.13254	18.0
175.11176	1.7
175.14783	1.2
178.07744	0.9
179.08546	1.4
180.09270	1.1
181.08604	1.4
181.10146	2.3
183.11623	2.8
185.09714	1.2
185.13287	4.4
187.11226	1.6
187.14923	0.6
189.09126	0.9
189.12695	3.4
191.10738	0.9
192.09508	0.7
193.10179	1.8
195.11711	2.2
197.09639	1.7
197.13336	0.6
199.11272	2.0
201.11171	0.7
201.12686	3.2
203.14333	2.0
207.11755	1.1
209.09650	0.9
209.13280	0.8
211.11295	0.7
213.12782	2.1
215.10619	0.7
217.12320	1.6
219.11868	0.9
219.13841	2.8
220.12408	0.9
221.13168	0.7
230.10846	0.8
231.13814	1.3
235.14833	1.0
237.12756	0.8
245.13416	0.8
248.12140	0.8
248.94617	0.6
251.14386	1.0
253.15799	0.8
259.13419	0.7
263.14182	1.6
265.07047	2.5
281.15485	1.9
288.07990	0.6
297.14828	0.7
299.16428	1.5
309.14890	1.6
327.15793	3.2
345.16956	2.3
388.91837	0.7
465.18991	1.4
501.21265	0.7
525.36224	1.2
543.21851	2.9
543.36365	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	543.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05511	3.4
65.03931	1.7
67.01855	1.7
67.05495	9.6
68.99783	3.7
69.07061	1.8
69.61639	2.8
79.05481	6.1
81.03419	1.6
81.07050	9.5
84.95856	0.7
91.05476	8.9
93.07029	6.6
95.01347	1.1
95.04975	2.7
95.08602	3.1
98.22742	1.5
105.06998	3.8
107.01304	0.8
107.04939	2.3
107.08583	3.5
109.02888	1.3
109.10152	2.1
111.04441	1.3
117.07039	2.2
119.04943	8.3
119.08611	2.4
121.02856	37.7
121.06473	0.9
121.10139	1.6
123.04450	1.6
129.07007	1.5
131.08565	2.4
133.06404	1.1
133.10158	2.3
135.11676	1.7
141.01788	1.1
145.02838	6.1
145.10072	1.4
147.04424	3.1
149.02342	5.4
151.03934	3.6
155.03357	1.1
157.01279	1.5
159.04420	1.3
163.03870	5.4
163.11195	1.5
165.05414	1.1
167.03375	9.5
169.05038	2.0
169.06398	1.1
173.05989	1.0
175.03856	2.2
177.05481	4.5
184.08914	0.9
187.03906	1.2
187.07513	1.6
189.05447	1.6
197.06003	2.7
213.05478	1.1
217.05029	1.2
227.07028	2.4
229.04877	5.2
231.06464	2.9
239.06989	4.8
241.04922	5.0
243.06567	2.4
247.06097	1.2
251.07056	2.7
252.07634	1.1
253.05048	1.2
253.08598	2.4
255.06499	20.7
257.04431	3.2
257.07974	1.1
265.05316	1.0
265.08600	3.2
267.06500	57.7
268.06995	2.6
269.08051	8.8
271.05960	1.7
275.05521	1.5
275.20007	2.3
277.08575	7.8
278.08911	1.4
281.08075	5.4
283.05997	3.5
289.08624	2.8
291.10178	1.7
293.08054	7.2
293.11310	1.4
295.05963	2.4
295.09506	1.5
303.10361	1.1
305.08145	2.6
305.11667	0.9
307.09567	1.6
317.08215	1.2
359.16531	2.4
361.17923	2.6
377.17252	5.0
379.19043	2.1
387.15942	9.1
389.17459	1.8
395.18567	1.6
405.16928	22.4
405.84518	0.9
407.18655	2.2
414.23044	1.7
415.15356	2.6
423.17917	16.4
423.23300	1.4
433.16443	30.2
434.16574	1.4
451.17477	100.0
452.17932	5.7
469.18558	9.0
497.21637	1.5
507.20007	2.6
525.21088	21.9
526.21405	0.9
543.21930	3.7
556.89557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2227
Annotation	Lancifodilactone M
Peak:m/z	Relative Intensity
53.03962	0.7
55.01871	1.6
55.05505	3.5
57.03414	0.6
63.88522	0.7
65.03943	1.6
67.01875	1.7
67.05499	8.3
68.84384	0.5
68.99800	3.1
69.03447	0.8
69.07072	1.1
69.21420	1.2
69.21822	2.7
71.05026	0.6
73.49937	0.5
79.05502	6.8
81.03420	1.7
81.07056	7.2
83.05015	0.6
83.08620	1.1
84.04544	1.0
91.05478	6.6
93.07040	7.7
95.04972	2.7
95.08602	3.3
105.07027	3.6
107.01321	1.3
107.04934	1.7
107.08587	3.0
109.02885	1.2
109.06500	1.4
109.10143	1.2
111.04437	0.8
115.05479	1.0
117.03407	1.2
117.06981	1.5
118.61436	0.6
119.04939	7.9
119.08578	2.3
121.02865	34.3
121.06553	0.7
121.10138	1.3
123.04464	1.1
124.03963	0.7
127.03983	1.1
129.07031	1.5
131.04951	1.6
131.08574	1.4
133.10133	2.2
135.08038	0.6
135.11696	0.8
137.05952	1.0
141.01817	2.3
141.07007	0.7
145.02870	5.8
145.06490	1.5
145.10150	1.3
147.04399	2.7
147.11681	0.8
149.02319	5.0
149.09625	0.7
151.03906	2.9
157.01340	1.4
157.06464	0.8
157.10156	0.9
159.04446	0.6
159.08064	0.9
159.11641	0.6
161.09485	0.6
163.03888	5.6
163.11212	1.3
165.05533	1.5
165.06976	0.8
167.03392	5.8
169.04955	2.4
169.06459	1.7
171.11737	1.0
173.06042	0.8
175.03914	1.7
177.01772	0.9
177.05466	4.6
187.03868	1.0
189.05522	1.3
193.04973	0.9
197.05943	4.6
199.07463	0.8
204.96620	0.6
205.81699	0.6
213.05496	1.7
215.06969	0.8
217.04924	0.9
227.06970	3.2
229.04936	4.1
230.01518	0.6
231.06383	1.5
239.07004	4.7
241.04982	4.3
241.08479	1.3
242.05736	0.7
243.06572	2.9
247.05930	1.4
251.07047	2.2
252.07768	0.8
253.08469	1.3
255.06522	17.2
257.04453	2.9
265.04865	0.9
265.08731	3.0
267.06509	55.0
268.07117	1.8
269.08075	8.8
269.10861	0.9
271.06018	1.5
271.13388	0.8
275.05475	1.4
275.17267	0.6
275.20108	2.5
277.08606	7.5
279.06625	1.1
279.10223	2.2
281.08005	4.0
283.06094	3.1
283.09442	0.7
289.08685	2.3
291.10172	2.3
292.07458	0.7
293.08044	8.6
293.11127	1.0
294.08902	0.6
295.05966	1.8
295.09625	2.1
303.10223	1.0
305.08359	3.1
305.11389	1.2
307.06036	1.2
307.09604	1.4
309.07797	1.1
317.07932	0.8
321.07483	0.8
359.16376	2.1
361.18112	1.5
369.14822	0.7
377.17368	4.2
379.19162	2.2
387.15952	7.4
389.17404	1.4
395.18793	1.1
396.22003	0.7
397.14447	0.9
397.19760	0.7
405.16916	20.2
406.17465	0.7
407.18604	1.1
415.15201	2.3
423.17978	15.4
433.16449	26.3
434.17059	0.8
451.17505	100.0
452.17963	3.6
469.18500	7.6
481.69437	0.7
497.21878	1.6
507.20010	2.5
525.21051	20.4
526.21942	1.1
543.21887	2.2
543.28839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01860	2.9
55.05514	3.4
55.20310	0.5
57.03431	1.1
57.07078	0.7
59.04997	1.3
65.03938	2.6
67.01858	2.9
67.05501	12.7
68.99784	4.2
69.07056	2.4
70.40154	0.5
70.55293	0.8
79.01844	0.6
79.05486	10.9
81.03425	1.4
81.07057	12.0
82.70805	0.5
83.08632	1.2
84.04504	0.9
87.04476	1.7
89.06042	0.8
91.05481	9.2
93.07040	9.6
95.04957	4.4
95.08609	4.6
97.02889	1.1
97.06522	0.8
103.05470	1.2
105.03361	0.9
105.04516	0.9
105.07021	5.0
107.01290	0.9
107.04979	2.9
107.08585	4.9
109.02908	1.1
109.06499	1.8
109.10178	1.4
111.04451	1.4
115.05452	1.0
117.07015	2.8
118.75298	0.7
119.04932	9.7
119.08583	2.7
121.02862	49.5
121.06497	0.9
121.10134	1.0
123.00793	0.9
123.04416	1.1
124.03986	0.8
127.03933	1.0
128.06262	0.6
129.07002	2.1
131.04918	2.2
131.08574	2.3
133.06487	0.8
133.08621	1.2
133.10136	2.4
135.08061	0.6
135.11688	1.4
137.02361	1.3
141.01811	2.6
141.07002	1.1
143.08575	1.1
145.02840	6.5
145.10135	2.7
147.04407	4.1
147.11696	1.0
149.02336	6.8
149.09654	1.0
151.03889	5.3
151.11263	0.6
152.06143	0.6
153.05432	0.6
155.03383	0.7
155.04968	0.8
155.08533	0.8
157.01364	2.1
157.06508	1.2
159.08020	0.8
163.03891	8.5
163.11205	1.5
165.01799	0.8
165.05484	2.0
166.48734	0.8
167.03409	7.4
169.04973	2.9
169.06375	1.0
171.08028	0.6
173.05963	1.0
173.13223	0.7
175.03949	2.1
177.05496	2.0
181.05022	1.0
181.06488	1.1
183.02792	0.8
183.08064	0.9
187.03870	2.7
187.07530	1.7
189.05467	1.6
193.05014	0.9
197.05934	3.7
199.07509	0.9
201.05484	0.9
203.07043	1.2
213.05463	1.0
215.03314	0.7
215.07054	1.7
223.11090	0.9
225.05409	0.8
227.06999	4.1
229.04890	6.1
231.06581	2.3
237.09174	0.6
239.07013	6.0
241.04932	6.1
241.08678	0.8
241.12065	0.6
242.05746	1.1
243.06462	3.8
243.13586	0.6
247.05988	3.8
251.07091	2.8
252.07809	1.0
253.04988	0.9
253.08553	2.6
255.06502	24.1
256.06964	0.8
257.04440	2.3
257.08340	0.7
259.05945	0.6
259.13379	0.7
265.05005	1.5
265.08685	4.0
267.06506	66.0
268.07059	3.1
269.05121	0.8
269.08075	9.7
271.06039	2.1
275.05334	1.0
275.20068	2.5
276.07776	1.8
277.08575	10.6
278.08841	0.9
279.06567	1.7
279.10172	2.3
281.04858	0.9
281.08051	5.8
281.11246	1.0
283.06021	3.6
283.09280	1.0
285.07645	0.9
289.08594	2.8
291.06836	1.3
291.10132	2.8
292.07217	1.2
293.08109	7.1
293.21112	1.0
294.08578	0.8
295.05972	2.2
295.09708	2.5
303.10080	0.9
305.08133	3.1
307.06445	0.8
307.09467	3.2
309.07495	1.0
309.10953	0.8
317.07974	2.0
317.11401	0.8
320.47247	0.6
331.09695	0.9
359.16382	2.8
361.18259	3.0
369.14563	0.8
377.17343	5.5
379.18857	3.9
387.15863	9.9
389.17477	2.2
395.18576	2.0
396.22009	1.4
405.16940	22.3
406.17325	1.3
407.18750	3.8
414.22946	0.9
415.15338	2.0
423.17984	17.2
424.18530	0.8
433.16428	25.2
434.16711	1.5
451.17487	100.0
452.17874	5.2
469.18518	7.8
497.21634	2.1
507.19998	2.0
525.21136	19.7
543.21375	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	543.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94147	0.1
55.05489	0.3
67.05470	0.7
69.03412	0.2
69.07034	0.2
69.38742	0.8
79.05453	0.3
80.67683	0.2
81.07013	0.6
83.01090	0.2
83.04962	0.3
91.05471	0.8
93.07000	0.6
95.04943	0.4
95.08573	0.5
97.02847	0.3
97.06532	0.2
97.28690	0.2
98.23459	0.3
105.07018	1.0
107.08557	0.3
109.02589	0.3
109.06470	0.2
111.04388	0.2
111.08040	0.2
117.06963	0.3
119.08565	2.2
121.02848	0.2
121.06499	0.2
121.10110	0.2
122.28870	0.2
124.03946	0.2
127.01483	0.2
129.07010	0.3
131.08572	0.7
133.06500	0.2
133.10071	0.5
135.08070	0.2
137.09572	0.2
142.07729	0.2
143.08470	0.4
145.10052	0.6
149.09589	0.2
155.08577	0.2
156.09302	0.4
157.10088	0.8
159.08040	0.2
159.11671	0.8
161.09656	0.3
169.10094	0.8
170.10864	0.3
171.11664	0.8
173.13232	0.6
181.10069	0.3
183.11653	0.5
185.13252	0.4
187.11211	0.4
193.10080	0.3
195.11713	0.3
197.13258	0.9
201.12779	0.2
207.11664	0.2
209.13162	0.4
211.14771	0.3
211.45659	0.2
215.14191	0.3
220.12430	0.5
221.13196	0.2
223.14993	0.2
234.13896	0.2
235.14806	0.3
253.15700	0.2
255.49335	0.2
293.15070	0.5
309.39795	0.2
313.17957	0.4
321.14587	0.8
335.16199	0.9
351.59964	0.2
353.17398	0.8
367.74640	0.2
371.05069	0.2
379.15225	0.4
395.18286	3.0
429.08936	0.2
455.20367	47.9
456.20724	2.7
457.20673	0.2
483.23373	0.3
543.25586	100.0
544.25989	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	543.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95663	0.4
68.99786	15.0
69.14369	2.5
71.22662	0.3
76.17566	0.4
81.07039	0.4
91.05458	0.7
95.08577	0.5
103.05456	2.3
104.47237	0.4
105.03391	0.9
105.07011	4.0
110.02405	0.8
119.08574	1.8
121.90498	0.4
124.36479	0.4
131.04924	5.3
131.08604	0.5
132.05257	0.6
135.08092	0.4
138.01831	6.8
139.00304	1.5
139.02205	1.6
140.03442	1.1
140.77953	0.4
141.06990	0.6
147.00784	0.6
157.10106	0.6
159.11736	0.5
165.01869	0.5
166.01363	5.7
166.99754	1.5
167.01794	1.5
168.02943	2.8
169.01367	1.7
169.10153	0.8
171.04424	0.5
172.04861	0.5
173.13292	0.6
183.11694	0.8
184.02464	1.9
185.00804	16.9
185.02589	0.6
186.01253	0.7
187.07693	0.4
187.11223	0.6
192.03000	0.9
194.99330	0.4
196.07626	0.5
197.13254	0.5
201.92770	0.4
213.00307	2.1
214.99971	0.6
215.07077	0.6
225.00328	0.6
225.05482	1.6
226.05772	0.9
233.00894	0.4
237.00182	0.4
240.06425	2.1
241.06940	2.1
242.07985	1.0
243.06537	0.7
243.08699	0.5
253.04971	0.6
268.06009	1.0
269.06430	1.4
270.07639	3.1
271.05753	11.9
272.06290	0.8
272.08994	0.6
273.07620	1.2
286.07034	3.0
287.07410	2.8
288.99768	1.8
293.15417	0.5
298.98145	0.4
299.05441	0.9
316.99399	1.1
321.14523	0.8
324.08658	0.8
335.00369	0.5
335.16257	0.6
347.05417	0.5
353.17346	1.0
384.10764	1.1
393.06033	0.6
395.18359	2.8
411.07285	0.9
421.05896	1.6
455.20358	48.1
456.20566	2.0
525.13263	0.9
543.25586	100.0
544.25934	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	543.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.1
63.46981	0.6
67.05470	2.4
69.07048	0.8
69.50565	2.9
71.08633	1.0
79.05469	1.3
80.04996	3.7
80.38055	0.6
81.03394	1.0
81.07029	2.4
89.06001	2.7
91.05441	2.4
93.07017	1.4
93.10705	0.7
95.08595	1.2
96.04461	2.5
104.38337	0.7
105.07025	4.0
107.08542	1.6
109.06504	0.8
117.06997	0.9
119.08566	1.8
122.93736	0.7
124.03940	62.1
125.03421	1.1
125.04283	16.0
127.01550	7.9
129.06882	0.9
131.08525	1.3
131.40318	0.7
135.11627	0.6
137.52303	0.7
143.08571	1.0
145.10103	0.9
147.11641	1.3
151.07315	2.5
167.06773	1.1
171.11604	0.7
173.13161	1.0
195.06311	1.0
213.07301	100.0
214.07620	2.1
223.80058	0.7
275.19867	0.8
275.51361	0.7
353.17230	11.6
371.18448	1.1
394.19974	1.2
543.25787	47.5
544.25854	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	543.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85139	0.6
53.03894	0.9
55.01808	2.4
55.05447	8.6
55.05740	1.6
56.04964	3.7
56.05224	1.2
57.03382	1.1
57.07007	2.2
57.07261	0.7
58.99515	7.1
58.99835	1.5
58.99985	0.8
59.76770	0.6
65.03896	1.0
67.05430	18.7
67.05814	1.6
69.03350	2.5
69.06996	11.0
71.04949	1.4
73.02840	0.7
76.02220	16.9
76.02608	1.0
78.64678	0.7
79.05489	14.2
79.05910	0.8
80.04934	1.0
81.03380	1.3
81.07050	23.9
83.04973	6.4
83.06065	1.2
83.08533	4.6
84.04497	63.9
84.04970	3.2
85.02861	1.2
85.06477	1.0
86.99046	5.3
88.03927	1.3
89.05981	0.8
91.05473	17.3
93.07039	19.2
95.04961	7.2
95.08605	16.2
95.09177	1.0
97.06507	3.7
97.10162	3.6
102.05460	2.8
102.55718	0.6
103.05370	0.9
105.00078	7.3
105.04451	0.9
105.07018	22.7
107.04949	6.6
107.08585	14.2
109.06514	10.2
109.10146	8.9
111.04355	1.1
111.08018	0.9
114.03667	1.1
117.07023	6.2
119.08573	14.6
121.02818	1.5
121.06509	8.7
121.10140	9.0
122.02716	78.9
123.08042	4.7
123.11626	2.6
125.09554	1.6
128.06125	1.1
129.06873	2.5
130.04990	27.0
131.08557	14.9
133.06390	2.5
133.10120	16.4
135.08043	4.1
135.11655	5.9
137.09535	2.0
137.13161	0.7
138.05443	0.7
141.06915	1.0
142.03220	11.0
143.08470	3.2
144.04697	2.3
145.06421	2.7
145.10117	10.8
147.08078	3.5
147.10614	0.8
147.11673	11.7
149.09593	5.5
149.13148	2.3
151.11168	5.9
155.08450	0.9
157.10100	3.4
159.08011	1.7
159.11696	8.0
161.09595	3.3
161.13280	3.7
163.03807	2.0
163.11163	6.2
163.14755	1.0
165.12607	1.1
169.10052	2.1
170.02602	1.1
171.07620	0.8
171.11668	3.5
173.09616	3.4
173.13202	4.1
175.11078	2.5
175.14825	0.9
177.12688	2.4
183.11646	2.7
185.13162	1.2
187.05208	0.7
187.11101	2.0
188.03716	10.7
189.12692	1.3
190.05241	1.4
191.14255	2.6
197.13319	1.6
199.14825	0.7
201.12718	3.2
207.13771	5.4
211.14853	1.0
213.16357	1.0
215.14282	1.0
215.17909	1.6
217.08350	1.5
219.13937	3.5
229.19479	2.1
231.17496	1.1
233.05841	2.9
233.18893	0.9
234.04286	16.6
234.06598	1.0
239.17854	2.8
247.20537	3.3
251.06946	87.6
252.07162	1.3
257.18976	10.6
267.06589	1.1
273.18454	2.7
275.20041	100.0
276.20325	2.2
291.19562	2.2
292.22726	1.5
293.21078	73.1
294.21588	2.0
367.24582	3.5
368.22626	1.6
369.16769	1.1
376.25095	1.1
396.22159	1.1
414.22836	1.4
451.17688	1.3
525.26630	2.7
526.24207	1.0
543.27545	27.4
543.35138	4.3
544.27484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01862	5.7
55.05512	15.5
55.34582	0.9
56.05041	2.6
57.03442	2.0
57.07069	2.7
65.03946	1.6
67.01842	1.2
67.05504	28.6
68.99802	1.2
69.03451	1.5
69.07069	14.1
71.05000	3.1
74.00689	2.0
76.02229	3.8
77.03957	1.3
79.05491	26.5
81.03411	3.0
81.07058	66.5
81.15684	0.9
83.04984	4.7
83.06123	1.0
83.08160	1.7
83.08614	11.0
84.04508	23.6
85.01134	2.1
85.06535	2.5
87.04539	1.1
87.16521	0.8
88.03991	2.8
91.05479	27.2
93.07043	25.1
95.04968	13.0
95.08604	25.5
97.01124	1.2
97.06536	4.0
97.10162	2.4
99.08160	1.0
99.97646	0.9
102.01074	0.8
102.05544	1.8
105.04535	1.3
105.07028	28.6
107.04958	9.6
107.08594	18.9
109.06516	22.3
109.10152	10.0
110.06073	1.3
111.02688	1.2
111.08102	4.7
112.02237	1.0
113.04221	1.3
114.03767	2.0
115.05765	1.7
117.07018	7.2
119.04941	1.9
119.08571	22.9
121.02861	5.2
121.06509	6.6
121.10149	14.8
122.02744	6.0
123.08076	6.0
123.11702	7.3
125.04231	1.5
125.09635	1.6
129.06982	1.7
130.05057	5.5
131.08575	14.0
133.06505	1.9
133.10133	17.2
135.08047	5.2
135.11676	5.5
137.09598	5.6
137.13235	1.2
139.02158	1.3
139.11197	1.0
141.07025	1.2
142.03259	1.3
143.08571	2.1
145.02884	1.9
145.06511	1.4
145.10114	12.1
147.08035	2.5
147.11682	19.5
149.02309	6.8
149.09625	8.8
149.13232	6.4
151.05779	1.1
151.11156	3.2
155.08582	1.4
157.10162	3.8
159.11711	9.6
161.09657	2.7
161.13307	2.7
163.03923	1.7
163.11163	7.7
163.14818	2.9
165.12753	3.8
169.10136	1.5
171.11732	2.9
171.69504	1.1
173.09663	2.0
173.13239	6.4
175.11221	3.7
175.14838	2.4
177.12767	2.2
183.11671	1.4
185.03893	1.1
187.11169	1.8
187.14851	2.4
188.03831	1.9
189.12770	1.8
191.14323	2.6
193.12262	2.6
197.13203	1.9
198.05952	1.2
201.12730	1.0
205.19574	1.3
213.08188	2.6
215.17961	1.7
217.08223	1.9
219.13834	1.3
223.13277	1.9
229.05058	1.4
229.14378	1.1
229.19623	4.4
231.04343	1.6
239.18011	3.3
241.05113	1.1
247.06000	2.1
247.20555	5.6
249.05429	0.9
251.07028	5.1
255.06596	2.0
257.19043	8.9
267.06445	4.8
275.20062	100.0
276.20468	3.3
282.15137	2.3
293.21088	24.1
294.21677	1.4
307.17206	4.0
327.15033	3.4
333.18689	3.3
350.21640	5.2
351.19952	1.9
368.22733	4.7
378.20929	4.4
379.19171	3.2
387.15985	1.3
396.22006	51.8
397.21735	1.7
405.16711	1.9
407.18478	2.4
414.23071	37.5
416.22495	2.6
423.17899	3.1
433.16379	2.9
434.23495	3.1
451.17520	21.1
469.18521	1.8
479.25882	1.5
525.20850	3.9
525.26404	4.2
526.24451	3.7
543.27466	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
67.64487	1.0
68.99783	8.3
69.20725	2.8
69.21150	3.7
70.06579	4.0
76.94469	1.0
77.99841	1.1
93.67351	1.0
103.05455	16.4
103.38237	1.1
105.03369	2.2
122.02374	2.3
131.04913	35.6
132.00810	3.5
133.37357	1.2
141.01837	1.2
160.00287	45.4
166.06572	1.1
178.01312	8.3
184.63031	1.0
185.00847	5.7
186.16690	1.0
187.99857	1.5
192.02887	2.3
196.02419	2.4
198.00279	7.6
203.99246	1.2
206.00879	2.5
210.00169	1.2
220.02472	1.4
222.00323	2.2
222.05519	2.1
240.01335	2.1
243.98763	34.5
244.98915	1.2
250.05096	1.1
256.13400	1.4
261.99823	56.6
271.06006	3.7
271.35281	1.0
272.06348	3.0
273.07059	1.4
280.00888	18.9
296.05673	1.9
300.04984	4.0
306.03949	12.9
324.05301	4.9
324.08472	2.0
335.31964	1.1
348.04990	61.0
349.05560	1.7
366.06067	27.6
380.07602	100.0
381.08002	3.7
384.10706	4.0
410.16946	1.0
440.03732	7.9
442.12750	5.7
452.11331	3.2
470.12378	1.1
484.14178	2.5
513.42059	1.3
544.07874	6.6
544.13867	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	544.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
60.46522	0.6
68.99789	12.9
69.14301	0.8
70.00129	0.8
70.06593	4.6
71.43415	0.6
75.96398	0.6
91.05439	0.8
95.04959	1.2
102.62207	0.5
103.05466	25.0
104.05789	0.6
105.03403	0.7
105.07037	2.6
106.07339	1.2
107.70477	0.6
111.31873	0.5
121.06486	0.6
122.02392	1.2
131.04921	100.0
132.05257	2.6
139.00270	1.4
139.65707	0.6
140.03404	2.6
145.01334	1.0
162.01836	0.6
166.99757	0.9
168.02930	9.0
169.01300	2.3
185.00816	10.3
186.01088	3.2
190.01341	5.6
194.00839	4.2
199.03871	6.1
208.02414	6.8
212.01904	1.5
213.00259	1.4
213.05444	1.3
214.00497	0.7
218.00854	6.8
218.31165	0.6
231.06512	6.0
236.01862	1.8
237.99948	0.9
241.04944	16.1
255.12434	1.3
256.13406	1.5
259.05991	9.6
261.99957	1.2
271.05969	4.8
272.06314	5.0
272.09213	5.6
273.07562	14.0
274.07776	0.9
285.99811	2.7
288.99579	0.7
294.07590	1.9
298.07089	2.4
304.00870	8.0
308.66953	0.6
322.01782	0.7
322.03284	1.0
322.07092	12.3
338.98254	0.5
340.08279	1.4
364.08295	0.8
390.06073	15.8
408.07199	9.2
440.03406	0.8
468.14563	1.1
480.11768	0.9
494.12335	8.3
512.13428	16.2
513.13989	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	544.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05815	1.2
56.06694	1.3
58.72661	1.2
59.05013	3.2
68.99792	13.3
69.52477	2.4
69.52886	5.1
70.00116	1.7
70.06577	7.4
85.02808	1.2
91.05489	1.9
99.99454	1.2
103.05471	12.0
105.07057	2.9
110.02401	1.6
115.05466	4.8
119.41645	1.5
121.06505	1.4
126.37692	1.0
127.05474	2.5
128.06233	10.6
129.06999	9.3
131.04918	33.9
131.05904	1.9
132.05269	2.3
139.00249	2.1
139.05434	12.9
140.03438	5.6
141.06998	26.2
141.08067	2.0
143.08572	2.5
145.06494	31.1
155.04913	26.5
155.06039	3.6
156.05586	1.3
159.08092	2.0
167.04887	11.7
168.02921	30.7
168.05557	1.8
169.06465	7.1
171.08076	6.5
173.05989	2.4
178.01408	4.6
185.00786	13.2
185.06081	1.4
186.01172	5.2
187.07573	8.0
192.02852	8.0
194.00887	1.9
197.05984	12.6
199.03882	7.8
199.07533	11.8
210.04041	2.3
211.07539	2.1
213.05432	11.6
220.02408	6.1
223.03908	27.2
227.07018	6.4
229.08577	20.1
236.39693	1.2
241.04942	14.3
255.06526	100.0
256.07010	1.5
256.13480	1.8
259.06015	4.3
260.07297	1.2
270.07663	1.6
271.05994	7.5
272.06403	7.5
272.09183	37.7
273.07507	15.0
282.07568	1.4
288.06296	1.4
296.09143	4.9
316.05850	2.4
318.07547	2.7
324.08731	8.3
344.05527	1.6
346.06857	1.7
356.11322	2.6
372.05096	3.5
384.10767	20.1
440.01773	5.0
450.13428	5.0
476.11093	2.6
478.08459	1.5
484.13516	1.8
494.12393	2.4
500.93857	1.3
508.13516	2.8
526.15167	2.7
544.07971	4.3
544.15881	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	544.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85649	1.4
65.03952	2.3
69.03417	2.1
70.65340	3.4
81.03423	5.4
85.02898	2.3
91.05492	1.6
97.02879	2.7
109.02856	3.0
109.21194	1.8
111.04456	3.8
119.04951	8.3
125.06090	2.4
137.06000	21.5
147.04375	12.7
151.03908	100.0
151.04866	4.5
169.04984	11.8
179.07042	11.6
197.08156	2.2
202.55467	1.8
226.48471	1.7
295.08200	5.7
313.09109	7.6
356.13614	2.0
366.31995	1.8
370.18564	1.7
377.01151	2.0
396.70999	1.6
464.02734	1.8
499.57712	1.9
512.14026	1.9
544.17102	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	544.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99899	1.0
65.03937	1.8
67.05518	1.1
69.03453	1.4
69.47094	4.6
81.03398	4.8
85.02907	2.3
87.84425	1.0
93.03402	3.2
97.02872	2.2
98.22701	2.1
100.51019	1.0
105.24725	1.0
109.02928	2.1
111.04450	2.9
125.05988	3.1
127.03889	1.7
137.05971	3.9
141.05511	1.2
147.04384	1.5
151.03912	100.0
151.05008	7.2
152.04224	1.5
165.23950	1.1
169.04967	13.6
295.08081	7.9
313.09189	5.8
482.01096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01878	1.3
60.96645	0.7
63.58340	0.8
65.03941	1.7
67.05501	1.6
69.03421	2.0
70.06593	1.8
70.27459	0.7
71.42886	1.0
71.43330	0.8
72.08149	1.7
77.13897	0.7
81.03407	5.3
83.62894	0.7
84.08145	1.2
85.02888	2.8
86.09702	2.5
87.12266	0.8
93.03399	3.1
97.02893	2.8
108.02094	1.1
109.02874	3.3
110.03664	0.8
111.04428	2.7
117.15143	0.8
117.22472	0.8
119.04919	1.8
125.05981	3.6
127.03914	2.2
129.63017	0.8
137.05972	6.2
141.05406	2.0
147.04396	4.0
151.03905	100.0
151.04971	6.6
152.04207	1.1
167.07042	1.1
169.04967	13.8
170.79599	0.8
170.92102	0.8
185.16568	1.0
189.18309	0.8
203.80717	0.8
294.26892	0.9
295.08151	7.2
302.43811	0.9
313.09146	7.7
403.91577	0.8
466.18686	1.6
544.19629	2.5
550.39984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.0
51.26483	1.2
55.01864	1.8
57.03431	1.3
59.05005	2.2
67.05507	2.6
69.03421	5.9
78.03448	18.6
79.04251	1.4
79.05491	4.1
80.05018	2.5
81.03416	22.6
81.07054	3.9
83.01340	2.4
83.04984	2.8
85.02915	4.3
86.09718	2.2
86.41914	1.2
91.05479	10.8
93.07041	5.2
94.06571	2.1
95.04966	4.7
95.08614	3.3
96.04481	6.6
97.02882	5.7
97.06545	2.3
100.61050	1.2
103.05477	2.1
105.07015	13.4
106.02914	81.4
107.04948	2.6
107.08601	3.9
107.16555	1.4
109.02866	8.4
111.04492	2.6
115.05467	3.2
117.06998	7.6
119.04970	3.1
119.08558	10.2
121.02862	1.8
121.06496	2.2
122.02415	1.4
123.03151	1.7
124.03950	100.0
127.03940	4.7
128.06227	3.0
129.07021	7.2
131.08559	16.3
133.06487	3.2
133.10115	4.0
135.08034	3.5
137.05959	1.4
138.05496	41.7
140.03418	60.4
141.07024	4.1
142.07773	3.1
143.08589	10.0
144.09381	1.9
145.06503	2.3
145.10127	13.2
147.04469	2.1
147.08044	2.6
147.11717	1.6
153.07018	1.4
155.08542	4.0
156.09354	4.6
157.10150	10.2
158.10873	1.8
159.08058	3.2
159.11696	5.0
161.09642	2.5
161.13246	2.2
163.11276	1.3
165.07043	2.9
166.07729	1.5
167.08499	2.3
168.09338	2.5
169.10162	4.9
170.10880	1.7
171.08090	3.1
171.11635	10.2
173.09604	3.4
173.13272	25.8
175.11157	1.5
179.08551	2.2
180.09413	1.9
181.10155	4.2
183.08023	1.8
183.11681	4.9
185.13336	4.6
187.11147	2.4
189.12781	5.0
191.10677	1.7
191.14378	2.1
192.09430	1.7
193.10214	3.0
195.08191	1.4
195.11696	4.1
197.09630	2.5
197.13229	2.3
199.11214	4.0
201.12781	4.8
203.08632	2.1
207.11725	2.0
208.06061	1.4
213.12724	2.7
217.10184	1.5
217.12216	2.2
219.11783	1.4
219.13840	4.7
229.12115	1.5
231.13742	2.7
233.13240	2.0
237.12723	1.7
241.12250	2.7
248.05519	14.6
250.07079	4.0
251.14279	2.5
259.13284	3.3
261.12628	1.9
266.06598	32.9
285.20023	1.5
297.14914	2.3
327.15756	1.3
383.11084	1.6
420.18301	2.3
438.18756	2.2
448.17493	2.6
449.16550	2.8
466.18454	6.4
484.19400	8.0
500.23792	2.2
502.20313	2.9
526.20374	2.9
544.22076	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.05510	8.8
61.83069	0.7
65.03947	1.1
67.05506	4.4
69.03428	27.4
69.07052	1.2
70.70711	1.7
78.03469	1.6
79.05492	4.1
80.05020	3.1
81.03412	3.8
81.07049	4.3
83.04980	21.8
84.05339	0.9
85.02898	1.7
85.06561	0.8
91.05477	5.9
93.03397	0.9
93.07047	3.1
95.04948	5.0
95.08630	2.9
96.04500	2.5
97.06525	2.4
99.04462	1.3
103.05511	1.0
105.07030	7.6
106.02921	3.8
107.08613	2.7
109.06531	2.8
109.10201	0.9
111.04438	100.0
112.04760	0.9
112.64147	0.9
113.06010	5.2
115.05431	1.8
116.94762	0.9
117.07021	5.4
119.08586	5.0
121.06526	1.7
123.08072	1.2
124.03948	63.4
125.06013	2.3
127.07565	1.9
128.06215	2.5
129.07021	3.5
131.08582	7.2
133.06508	2.6
133.10147	3.5
135.08037	1.5
135.11630	0.9
141.07013	3.5
142.07787	2.7
143.07033	10.1
143.08546	8.9
145.06525	2.5
145.10114	10.4
147.08060	2.1
147.11694	1.2
149.09587	1.5
153.07042	1.5
154.07651	1.1
155.08577	6.5
156.09328	5.5
157.10115	7.6
159.08061	2.6
159.11697	4.4
159.64142	0.9
160.73712	0.8
161.09616	2.1
163.11182	2.0
165.07048	3.0
165.09123	2.5
166.07794	2.4
167.08549	4.3
168.09314	1.8
169.10143	9.4
171.08038	2.1
171.11671	13.4
172.12343	1.1
173.09634	3.5
173.13260	13.0
175.11203	1.1
179.08568	2.7
180.09218	1.9
181.10153	6.8
183.08148	1.1
183.11690	5.5
185.09735	1.2
185.13260	3.0
187.11226	2.0
189.12737	2.1
190.76457	0.8
191.08687	1.9
191.10678	4.3
191.14207	0.9
192.09366	2.6
193.10091	4.8
194.10785	0.9
195.11647	6.0
197.09717	2.3
197.11668	1.0
197.13263	4.3
199.11203	1.9
201.12762	2.8
203.14343	1.7
205.10152	1.7
206.10901	3.3
207.11716	3.1
209.09615	1.6
209.13319	3.0
211.11224	1.2
211.14809	2.1
213.09190	1.3
213.12737	1.4
217.10213	1.7
217.12256	3.3
219.11787	2.0
219.13788	3.7
221.13266	8.5
222.14203	1.0
223.11182	1.6
223.14771	2.8
225.12752	1.8
227.10590	1.0
232.12398	1.8
235.14879	1.5
236.06346	0.9
237.12646	2.4
237.16371	1.5
239.14313	2.8
243.13841	1.3
247.14876	2.8
249.12695	2.0
251.14307	1.8
253.15851	1.2
255.13988	1.8
259.41083	0.9
265.15851	6.4
267.13751	2.5
273.14795	1.5
275.14185	1.1
283.16885	7.0
293.15320	3.1
301.17999	2.2
311.16409	10.7
329.17438	15.0
347.18555	2.4
389.19553	5.5
421.22186	17.7
434.19821	1.2
452.20596	4.8
512.22888	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	544.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01892	1.0
55.05506	6.8
57.07061	0.8
60.26366	0.5
64.90460	0.5
65.03941	1.5
66.35100	0.5
67.05498	4.2
69.03424	33.7
69.07057	0.9
69.82327	0.7
69.82648	1.5
70.03762	0.6
71.04983	0.8
71.25990	0.6
77.03913	0.8
77.72459	0.6
78.03455	0.6
79.05487	4.7
80.05006	2.1
81.03417	4.8
81.07047	4.5
83.04973	22.6
85.02886	1.3
85.06561	0.7
91.05474	7.3
93.03432	0.7
93.07029	5.1
95.04985	3.5
95.08598	3.3
96.04512	1.6
97.06512	1.9
103.05464	0.9
105.07024	8.7
106.02904	2.9
107.04967	0.6
107.08574	4.0
109.06503	1.8
109.10136	1.0
111.04436	100.0
112.04773	1.4
113.05975	7.1
115.05466	1.9
117.07000	5.0
117.62416	0.5
119.04932	0.8
119.08569	6.4
121.06512	1.8
121.10117	0.9
123.04436	0.8
123.08067	1.4
124.03945	53.4
125.04295	1.8
125.05995	2.6
127.03911	0.7
127.07550	0.8
128.06219	3.0
129.06989	4.1
130.07788	1.3
131.04933	0.9
131.08580	8.9
133.06479	2.0
133.10112	3.0
135.08072	2.1
135.11732	1.0
137.05983	1.0
137.09518	0.6
141.06981	3.5
142.07767	2.5
143.07030	11.4
143.08556	8.5
144.09308	1.0
145.06480	1.7
145.10114	13.3
147.04402	0.6
147.07993	1.6
147.11665	1.0
149.05939	0.7
149.09616	1.5
153.06985	1.8
154.07732	1.3
155.08545	8.0
156.09354	4.9
157.06540	0.8
157.10123	9.0
158.10983	0.7
159.08066	1.4
159.11671	4.9
161.09589	1.8
163.07542	0.7
163.11128	0.8
165.06966	3.3
165.09100	2.9
166.07779	2.3
167.08594	4.1
167.10715	0.7
168.09332	1.9
169.10132	8.7
170.10979	0.6
171.08052	1.6
171.11662	13.0
173.09602	3.7
173.13251	12.8
175.11092	0.6
175.14813	1.0
179.08560	3.3
180.09348	1.8
181.10106	7.9
182.10806	1.7
183.08057	2.4
183.11684	5.7
185.09608	1.2
185.13193	3.0
187.07639	0.6
187.11168	2.2
189.09061	0.8
189.12675	1.4
191.08597	1.9
191.10646	5.1
191.14313	1.3
192.09338	1.9
193.10115	4.3
194.10899	1.7
195.07979	0.9
195.11661	7.1
197.09601	1.6
197.11650	1.1
197.13257	4.1
199.07396	0.7
199.11174	3.5
199.14813	0.9
201.12735	3.7
203.08537	1.0
203.14262	2.2
204.09332	1.3
205.10056	1.1
206.10927	3.4
207.11659	4.6
208.12180	0.7
209.09601	1.6
209.13173	3.3
211.11111	2.1
211.14813	1.5
213.12735	1.3
213.16249	0.8
215.14320	0.9
217.10242	1.0
217.12160	4.3
217.31195	0.6
218.10905	1.3
219.11647	1.9
219.13799	4.0
220.12099	0.6
221.13223	7.9
222.13698	0.7
223.11172	1.9
223.14783	2.5
225.12740	1.6
227.10655	1.1
229.12129	0.8
231.11659	1.4
231.13873	0.8
232.12520	1.4
234.13744	0.7
235.14847	1.3
237.12694	1.5
237.16373	2.0
239.14278	3.1
241.12068	0.6
241.15614	0.7
243.13768	1.7
247.14917	3.4
249.12740	1.8
251.14342	1.3
253.15845	0.7
255.80522	0.7
256.22672	0.7
263.14261	1.2
265.15894	5.3
267.13629	3.4
269.11655	0.7
273.14893	1.4
275.14249	1.0
281.15280	1.0
283.16916	6.1
285.14862	1.2
293.15302	2.5
301.17725	1.5
311.16391	12.8
312.16916	0.8
324.06522	0.6
329.17456	16.6
330.17639	1.0
347.18454	1.7
361.19931	0.9
364.97839	0.7
365.19568	0.7
389.19583	7.9
421.22171	20.0
422.22180	0.8
434.19653	1.1
452.20581	3.0
512.22681	5.6
544.27179	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	544.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
55.05486	0.4
55.36367	0.1
57.03423	0.2
61.02887	0.2
65.03924	0.5
67.05476	0.7
69.03405	0.3
69.07053	0.2
69.13262	0.7
69.13664	0.3
71.04990	0.2
73.02880	0.3
78.03443	0.2
79.05499	0.9
81.03390	0.4
81.07055	0.8
83.08596	0.3
85.02915	0.8
87.04454	0.2
89.06012	0.4
91.05467	0.8
92.04996	0.8
93.05793	0.3
93.07045	1.4
94.05998	0.3
94.06567	3.8
95.04956	0.4
95.08594	1.3
96.04482	0.8
97.02869	0.4
105.07019	1.7
106.02904	0.9
107.04931	0.2
107.08586	1.8
109.02855	0.2
109.06500	0.3
109.10166	0.7
110.06033	3.1
117.06997	0.4
119.08578	1.1
121.02847	0.3
121.04566	0.5
121.06498	0.4
121.10156	1.5
123.08073	0.3
124.03951	2.2
127.01559	1.2
127.03891	0.3
129.06975	0.3
131.08578	0.7
133.08589	0.3
133.10144	0.7
135.04414	0.3
135.08136	0.2
135.11708	0.6
137.04892	0.1
137.05952	0.2
138.05493	100.0
139.01529	0.3
139.05862	1.1
143.05869	0.3
143.08566	0.3
145.10101	0.8
147.04385	0.3
147.07961	0.2
147.11714	0.6
149.05943	0.3
149.13228	0.5
153.03137	1.6
153.05473	0.4
155.08510	0.2
157.10121	0.4
159.08113	0.2
159.11713	0.4
161.13278	0.2
163.03882	0.2
165.07159	0.3
171.11639	0.3
173.13312	0.7
177.09109	0.4
181.10211	0.3
185.13365	0.2
189.16385	0.9
191.10722	0.3
195.11699	0.3
197.05742	0.4
201.09140	0.2
203.10698	0.2
209.09785	0.2
213.09068	0.2
213.16444	0.4
219.10251	0.2
227.18088	0.5
237.11296	0.2
237.16492	0.2
255.17435	0.8
261.49051	0.2
266.06750	0.2
267.15872	0.3
273.18469	2.4
283.16830	1.4
285.04089	0.2
286.04828	0.2
301.17871	0.9
307.13251	0.2
319.19073	0.8
329.17511	0.2
347.18527	7.4
348.19092	0.5
383.11523	0.5
452.17572	0.2
476.30295	0.2
544.25598	5.5
545.20581	0.2
545.25562	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	544.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.1
65.03933	0.4
67.05489	0.3
69.03409	0.2
70.54344	0.2
79.04218	0.1
79.05484	0.2
80.70697	0.1
81.03422	0.2
81.07051	0.1
83.04997	0.2
85.02891	0.3
86.09694	0.1
87.00792	0.1
87.04456	0.2
88.02207	0.1
88.03982	0.2
92.04999	0.9
93.05776	0.3
94.06562	3.7
95.05019	0.1
95.08595	0.1
96.04490	0.4
97.02867	0.2
97.06507	0.1
105.01817	0.2
105.07024	0.1
105.71081	0.1
106.02896	0.1
107.08562	0.1
109.02808	0.1
110.06036	3.3
119.08554	0.2
121.02872	0.4
124.03957	0.2
127.03899	0.4
131.08548	0.1
138.05489	100.0
139.04915	0.1
139.05838	1.1
140.03401	0.2
143.08568	0.1
145.02856	0.2
145.10167	0.1
147.11739	0.1
149.05867	0.1
154.04997	0.2
159.11636	0.1
171.11568	0.1
173.13121	0.1
177.05461	0.1
182.15341	0.1
185.13437	0.1
193.10097	0.1
231.05029	0.1
290.81244	0.1
383.11221	0.3
424.18338	0.1
466.23508	0.1
507.28372	0.1
509.23785	0.1
526.26300	0.4
544.18701	0.1
544.25507	0.9
545.24689	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	544.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03942	0.3
55.01853	0.3
55.05497	0.6
57.03426	0.4
65.03931	0.4
65.73265	0.2
67.05504	1.1
69.03058	0.2
69.03422	0.7
69.07057	0.7
69.12064	1.3
70.06590	0.3
73.02908	0.3
78.03445	1.1
79.05515	1.0
80.05016	0.3
81.03418	1.1
81.07052	1.2
83.04970	0.3
83.08608	0.3
85.02892	1.0
85.06512	0.2
86.09718	0.3
87.04463	0.4
89.06034	1.4
91.05471	1.4
92.05003	0.8
93.05752	0.2
93.07051	1.2
94.06570	3.7
94.34345	0.2
95.01276	0.2
95.04969	0.7
95.08611	1.2
96.04488	0.8
97.02891	0.9
97.06528	0.5
97.10117	0.2
98.23384	0.3
105.07021	1.6
106.02911	3.7
107.04939	0.4
107.08597	1.4
109.02887	0.4
109.10148	0.7
110.06036	3.3
111.04453	0.2
115.07577	0.2
117.07006	0.4
119.04967	0.2
119.08586	1.0
121.02856	0.6
121.06464	0.3
121.10132	1.0
123.08071	0.4
124.03949	6.8
127.03899	0.3
128.06213	0.3
129.07013	0.4
131.08560	1.1
133.08607	0.7
133.10118	0.5
135.04413	0.2
135.08072	0.3
135.11740	0.3
138.05496	100.0
139.05850	1.3
141.06976	0.3
142.07761	0.3
143.08582	0.9
145.06473	0.2
145.10059	1.1
147.04408	0.3
147.11679	0.2
149.09526	0.3
149.13152	0.2
151.03854	0.2
153.03087	0.5
154.04974	0.3
155.08548	0.3
156.09299	0.3
157.10115	1.3
159.07991	0.4
159.11688	0.5
161.05974	0.2
161.09575	0.4
163.03873	0.2
165.07103	0.3
167.08607	0.3
169.10107	0.5
171.11684	1.0
173.09784	0.2
173.13240	1.5
175.11121	0.2
177.09050	0.2
177.11194	0.6
183.11650	0.3
185.09692	0.3
185.13257	0.2
187.11172	0.3
189.12737	0.4
189.16393	0.4
189.23221	0.2
191.10606	0.4
191.14331	0.2
195.11630	0.4
197.13176	0.3
199.11220	0.2
201.12677	0.3
207.11711	0.2
213.12758	0.3
217.12271	0.3
219.13861	0.5
227.28764	0.2
248.05524	1.2
249.33377	0.2
255.17593	0.3
257.04340	0.2
266.06641	0.7
267.15970	0.4
273.18484	1.1
279.13727	0.3
283.16980	0.7
286.04822	0.5
297.14774	0.2
301.17926	0.4
319.18918	0.4
347.18542	3.8
348.18777	0.3
383.11188	0.7
424.17990	0.2
448.17624	0.3
452.17300	0.3
466.18405	0.4
526.21722	0.3
526.32062	0.2
544.25342	5.1
545.25562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
53.31749	0.4
55.05510	2.7
59.59879	0.4
62.89541	0.4
63.47888	0.4
63.54279	0.4
65.03948	0.8
67.05496	5.5
69.03411	0.7
69.07063	2.8
69.78126	1.1
69.78510	0.9
70.06554	0.5
71.05003	2.0
77.03931	0.4
77.76094	0.4
78.03432	0.8
79.05497	5.6
80.05016	5.2
81.07054	8.0
83.04978	9.1
83.08623	0.8
85.06539	1.2
89.06027	0.7
91.05482	7.1
93.06507	0.8
93.07047	6.9
95.04956	1.5
95.08601	9.9
96.04481	3.6
97.06528	3.8
105.04481	0.4
105.07029	9.6
106.02915	2.4
107.08578	5.4
108.04465	1.6
109.06507	1.0
109.10115	2.2
111.08092	0.8
115.05469	0.6
117.07039	3.2
119.08584	8.6
121.06499	0.8
121.10132	3.6
123.08054	1.0
123.11750	0.6
124.03950	100.0
125.04298	0.6
128.06168	1.0
129.06975	2.1
130.07785	0.7
131.08562	8.0
133.10129	6.3
135.08026	0.7
135.11673	1.6
138.05495	0.6
139.11090	0.5
141.07011	1.3
142.07773	1.6
143.08585	4.7
144.09302	0.8
145.10132	7.2
147.08064	0.7
147.11665	3.3
149.09584	1.0
151.11171	0.9
155.08583	3.5
156.09332	2.4
157.10130	6.9
158.10898	1.1
159.11699	5.3
161.09575	0.7
161.13225	2.6
163.11142	1.0
165.06989	0.8
167.08592	1.4
168.09341	1.3
169.10114	3.0
170.10921	1.7
171.11690	5.9
173.09665	0.6
173.13266	3.6
175.11174	1.4
175.14824	1.8
175.60095	0.5
179.08534	0.7
180.09296	0.4
181.10121	2.3
182.10915	2.0
183.11702	3.8
184.12405	0.5
185.13237	4.4
187.11157	1.0
187.14815	3.0
189.12743	1.8
190.36270	0.5
193.10199	0.5
194.10966	0.8
195.11647	2.5
196.12444	0.8
197.13274	5.8
198.13951	0.8
199.14790	2.4
201.12816	0.7
203.14330	1.9
207.11755	0.9
208.12491	0.5
209.13307	2.7
211.14857	2.6
213.12920	0.5
213.16406	1.5
215.14307	1.2
217.15782	0.6
221.13280	0.7
222.14072	0.7
223.14784	2.1
229.15903	0.6
229.19330	0.6
233.12042	0.5
237.16423	1.4
239.17973	1.6
241.15863	0.5
253.19374	0.4
255.21205	0.5
259.16605	0.5
265.19513	1.4
273.22070	2.4
283.20541	6.0
301.21649	3.0
330.59671	0.5
341.86615	0.5
396.25330	1.9
406.23737	12.7
407.24054	0.8
424.24796	8.2
442.26187	0.7
466.26062	0.6
484.26953	8.2
544.29010	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	2.2
67.05485	0.6
69.23867	1.8
71.08627	4.2
79.05486	0.7
81.07042	0.8
85.10169	2.2
87.04462	100.0
88.04818	0.7
89.06039	1.8
91.05480	1.4
93.07031	1.6
95.04977	0.8
98.23476	0.5
103.05460	0.7
105.07024	8.3
106.07362	2.4
119.04973	0.5
119.08553	0.8
121.06508	3.9
122.06909	0.7
127.01555	1.0
128.47440	0.4
131.07034	0.7
131.08614	0.5
133.08598	0.8
135.08119	0.4
135.11736	0.6
147.08058	1.4
149.09622	0.5
150.06851	0.5
163.11137	0.4
165.09119	1.0
165.44139	0.3
209.11702	0.6
217.27199	0.4
219.12288	1.0
225.12675	0.7
226.13011	0.8
235.13115	0.4
247.20607	1.5
283.26331	0.5
291.23117	2.9
293.42047	0.4
352.68176	0.4
502.23682	0.4
543.54675	0.4
544.38367	3.6
544.46710	0.5
544.49365	0.5
545.38806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2147
Annotation	Nobilin E
Peak:m/z	Relative Intensity
55.05502	2.5
62.40815	1.2
62.63515	1.3
63.63449	1.3
67.05497	5.2
69.03419	2.9
69.07062	1.9
69.10931	8.4
79.05475	2.8
80.92809	1.3
81.03425	3.1
81.07035	3.0
83.04951	1.7
83.08631	2.0
91.05475	3.3
93.07042	4.3
95.04941	1.9
95.08601	4.5
97.10149	1.7
105.07018	4.1
107.08574	1.7
109.10142	2.0
111.04447	3.8
119.08562	2.4
121.10204	1.3
124.04000	2.0
131.08556	2.2
133.10100	1.5
145.10135	2.3
159.11679	1.3
161.13275	1.6
167.37218	1.3
173.13284	1.7
187.14861	2.4
205.16000	1.4
249.57915	1.4
261.22159	1.7
290.30029	1.5
334.72925	1.4
357.95313	1.6
425.21762	1.7
429.16968	2.1
443.22937	1.5
503.24228	1.7
527.37323	1.5
545.21405	100.0
545.38385	3.0
546.21912	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	545.2147
Annotation	Nobilin E
Peak:m/z	Relative Intensity
51.94191	2.2
55.05470	7.2
56.16637	2.2
67.05484	16.1
69.07056	4.2
71.43443	3.3
79.05447	7.2
80.04977	2.7
81.03369	2.8
81.07048	17.2
83.04913	3.5
83.08560	3.3
91.05464	12.1
93.07001	8.6
95.04898	3.6
95.08546	7.5
105.03391	3.1
105.07014	15.1
106.02874	5.0
107.08510	6.3
109.10138	3.2
109.68086	2.1
111.61331	2.0
117.06966	3.6
119.08472	9.3
121.10098	5.7
124.03146	2.5
124.03941	40.0
125.04232	5.3
127.01480	6.0
131.08516	4.9
133.10007	8.1
133.38045	2.2
135.08040	2.8
143.08466	5.0
145.10002	7.2
145.11102	2.6
147.11604	3.9
149.13164	2.7
157.10052	4.6
159.11623	4.5
171.11501	2.7
173.13086	3.9
189.16306	3.5
193.19077	2.6
209.12961	2.2
291.87051	2.4
312.07767	2.2
358.38629	2.1
456.20346	3.8
457.20975	10.8
527.36975	5.3
544.25250	5.0
545.20740	100.0
545.37592	6.9
546.20850	4.7
569.00574	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	545.2387
Annotation	Satratoxin G
Peak:m/z	Relative Intensity
51.02406	1.2
52.02879	1.2
53.03961	1.9
55.05518	3.7
57.03446	1.6
67.05519	5.8
68.99805	3.6
69.03442	4.3
69.07082	3.5
71.43006	1.4
73.02930	2.8
78.03452	3.2
79.05496	7.3
80.05030	2.6
81.03419	7.7
81.07061	6.7
82.84162	1.3
83.08646	2.3
85.02919	3.8
85.33605	1.3
87.04482	3.9
89.06033	6.7
91.05478	7.5
93.07028	6.7
95.04968	6.0
95.08634	5.6
96.04514	4.4
97.02900	12.6
97.06558	3.4
99.03336	1.3
99.04455	1.4
100.96478	1.3
103.05495	1.9
105.07037	8.9
106.02921	14.7
106.07359	1.6
107.03297	2.4
107.04995	3.5
107.08604	3.6
109.02921	5.8
109.06559	2.5
111.04530	1.4
117.07014	6.1
119.04932	9.6
119.08632	4.3
121.02861	37.5
121.10137	2.4
123.08125	1.5
124.03944	100.0
125.04288	4.0
127.01583	3.9
127.03933	4.9
128.06247	1.3
129.07021	3.7
131.04987	2.2
131.08603	3.1
133.06564	1.9
133.08664	5.0
133.10152	1.7
134.98929	1.4
135.08073	1.2
135.11725	2.3
137.02386	4.0
137.06047	1.7
138.05484	25.0
138.06442	1.8
139.05827	7.5
141.06999	1.7
143.08603	4.4
145.02905	2.3
145.06549	1.9
145.10178	5.2
146.10480	1.9
147.04393	13.4
149.02371	1.4
149.06023	2.1
151.03908	24.2
151.85432	1.4
153.03186	3.1
155.08643	3.5
157.10155	2.8
159.04434	1.6
159.11707	1.5
160.08411	1.6
161.05969	2.4
163.03857	6.1
165.05602	1.7
165.07169	1.8
167.08617	1.3
169.10129	1.9
171.11716	2.3
173.06076	1.9
173.13319	5.1
175.11282	2.1
176.34528	1.5
177.05533	1.6
183.11710	2.1
185.09700	1.3
185.13306	1.6
187.07671	1.5
193.10303	1.5
193.12321	1.4
197.05804	1.6
202.13280	1.8
213.09111	1.6
215.07112	3.2
223.07526	2.5
225.09103	1.4
227.07091	2.6
229.12271	1.7
237.09224	1.8
239.07033	24.9
240.07803	1.5
241.08545	6.8
248.05356	1.4
251.07011	22.2
251.09225	1.7
252.07785	5.1
253.08530	8.3
255.06602	2.8
257.04495	9.0
258.05283	1.6
265.08591	8.1
267.06677	13.3
267.10251	2.0
268.07529	1.6
269.08078	2.7
273.18384	2.3
277.08606	7.0
279.10315	4.1
281.08118	2.7
283.09607	1.7
286.04822	2.8
287.05478	7.3
291.10242	3.3
293.08301	2.0
293.12045	1.5
295.09769	4.2
305.08203	1.9
313.06906	3.1
314.07281	1.7
335.16415	24.0
337.10745	1.5
345.14792	1.4
348.19083	2.7
351.20071	1.4
361.18155	4.4
363.15912	46.4
364.16241	1.7
379.19162	11.6
383.11221	41.7
384.11746	1.6
389.17380	8.4
391.14999	2.2
407.18500	45.7
407.23700	2.6
408.18762	2.0
417.17099	3.9
425.19653	10.2
433.32663	1.7
435.17993	40.0
436.18652	2.0
453.19061	51.3
454.19476	3.3
471.20108	15.4
509.21844	2.5
527.22845	51.5
528.23077	2.8
529.58160	1.4
545.23865	84.8
546.24066	8.2
571.63776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2385
Annotation	Satratoxin G
Peak:m/z	Relative Intensity
50.20524	1.2
55.01862	2.2
55.05512	5.4
57.03436	1.8
65.03936	1.6
67.05503	5.9
68.99802	3.4
69.03416	2.8
69.07056	2.5
71.22377	1.4
72.28242	1.0
73.02905	2.9
73.07491	1.1
78.03409	1.5
79.05482	3.8
80.05015	1.5
81.03419	4.9
81.07046	6.0
85.02876	1.6
87.04465	3.5
89.06036	6.8
91.05476	4.7
93.07050	3.2
95.04968	4.0
95.08618	3.8
96.04503	1.9
97.02879	4.8
105.03398	2.1
105.07019	5.6
106.02911	5.3
107.03284	1.1
107.04989	2.5
107.08597	2.7
109.02929	2.0
109.10144	1.2
111.04382	1.3
117.07030	2.6
119.04955	8.4
119.08559	2.9
121.02858	47.4
121.03779	2.2
121.06480	2.0
121.10143	1.6
121.12106	1.4
121.25144	1.1
123.04454	2.0
124.03946	32.4
125.04318	1.8
127.01560	3.5
127.03920	3.6
129.07024	2.2
130.89674	1.2
131.04893	1.2
131.08568	3.8
133.02870	2.2
133.06487	1.9
133.08572	1.9
135.04427	2.0
135.08070	1.9
137.02339	1.9
138.05481	12.5
139.05910	5.7
145.02858	2.5
145.06477	2.1
145.10143	3.0
147.04410	9.1
149.05952	2.6
149.09573	1.4
151.03894	28.2
153.03110	4.5
155.08525	1.4
157.06468	1.4
157.10066	1.4
159.04489	1.5
159.11662	1.4
161.05981	2.9
163.03918	4.9
165.05533	1.4
169.10159	2.2
173.06088	1.7
173.13254	2.4
187.07550	3.3
189.05577	1.5
211.07578	1.3
215.06958	5.7
223.07500	2.0
227.07056	4.9
239.07022	31.2
240.07489	1.7
241.08678	6.9
248.05534	1.4
251.07030	31.7
252.07727	8.3
252.87624	1.2
253.08705	7.3
255.06538	3.1
257.04480	5.4
265.08612	11.1
266.09262	2.2
267.06598	14.3
267.10217	3.4
268.07288	1.7
269.08124	2.5
277.08591	8.3
278.09451	1.4
279.10184	4.6
281.08145	4.0
281.11673	1.1
283.09561	1.4
284.96744	1.1
287.05545	3.3
289.08670	1.6
291.10129	2.2
293.08078	2.8
293.11484	1.9
295.09726	3.3
297.11237	1.2
305.08084	1.6
307.09775	1.6
307.13013	1.5
311.09143	1.4
323.08932	1.3
324.09906	1.2
335.16370	31.9
345.14890	2.9
351.19458	2.6
361.17981	4.3
363.15872	60.7
364.16370	1.9
365.17950	1.5
371.16461	1.7
375.16119	2.3
379.15161	1.9
379.19095	15.8
383.11267	17.1
389.17465	9.7
391.15121	2.3
399.15918	1.7
407.18542	60.7
408.18716	2.0
417.16989	3.5
425.19537	14.7
435.18021	51.2
435.24005	2.6
436.18402	2.9
453.19061	62.7
454.19293	2.9
471.20102	17.8
509.21780	5.0
525.80798	1.5
527.22778	60.5
528.22955	4.2
545.23792	100.0
546.23926	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	545.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02374	0.2
53.03919	0.3
55.05497	0.6
57.07062	0.2
65.17918	0.2
67.05495	1.0
69.07068	0.4
72.96378	0.2
78.03448	4.3
79.04228	0.3
79.05476	0.7
80.05007	4.4
81.07052	1.2
83.08611	0.3
91.05470	1.4
93.07023	1.1
95.04957	0.2
95.08592	2.3
96.04487	4.0
98.22685	0.3
103.05482	0.2
105.05827	0.1
105.07021	2.2
106.02906	11.6
107.03166	0.2
107.08565	1.0
109.10138	0.6
111.04475	0.8
117.07027	0.5
119.08581	4.2
120.06165	0.1
121.10130	0.7
123.08047	0.2
123.91765	0.2
124.03943	100.0
125.04305	1.0
129.07060	0.4
131.08549	1.1
133.10129	4.2
135.11656	0.2
140.03468	0.1
142.07803	0.4
143.08585	0.9
144.09306	0.2
145.10123	1.8
147.11665	1.6
155.08556	0.5
156.09303	0.5
157.10129	1.1
158.10852	0.2
159.11668	2.2
161.13235	0.8
169.10103	1.1
170.10909	0.4
171.11662	1.4
173.13249	1.5
181.10124	0.2
182.10878	0.2
183.11641	1.4
185.13232	1.3
187.11211	0.4
187.14851	0.7
188.15536	0.2
189.16368	0.4
195.11723	0.6
197.13240	1.6
199.11160	0.3
199.14764	1.0
201.16380	1.0
205.12262	0.6
211.14813	0.9
213.16310	0.2
217.12254	0.3
221.13385	0.2
225.12804	0.5
229.06076	0.7
229.12204	0.5
237.16396	0.4
239.14226	0.2
239.17807	0.9
243.13797	0.3
253.19444	1.5
257.15466	0.2
271.20370	0.2
281.18985	0.9
299.20020	5.5
299.23428	0.3
369.16827	0.4
411.17743	0.2
422.23267	1.8
429.19037	0.8
545.26434	15.3
546.26819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64742	0.9
51.52064	0.9
55.01870	10.6
55.05505	16.0
56.05020	1.7
57.03430	1.8
57.07075	4.9
58.99575	2.4
59.04992	2.9
63.08352	1.0
65.03922	2.0
67.05160	1.8
67.05501	25.9
67.11225	1.0
69.03410	2.1
69.07060	13.1
69.65506	2.1
69.65859	2.4
71.04978	2.7
71.08634	1.7
73.01118	1.0
73.06575	1.1
74.00656	2.3
75.24408	1.0
76.02219	2.7
79.05481	18.8
81.03406	4.0
81.07050	39.0
83.04976	8.0
83.08614	11.2
84.04502	19.3
84.08161	1.0
85.06535	1.8
85.10183	10.0
86.99007	1.2
88.03996	2.4
89.06001	2.4
91.05472	19.2
93.07040	19.8
95.04968	5.6
95.08022	2.2
95.08600	26.7
97.06519	7.5
97.10152	4.0
98.22725	1.1
99.08073	1.4
105.07021	15.2
107.04951	4.2
107.08587	12.8
109.06535	5.5
109.10159	8.9
111.08068	19.2
113.09634	10.6
114.03729	1.3
115.05803	2.6
117.06986	2.0
119.08562	9.8
121.10147	8.8
122.02715	4.2
123.08036	3.9
123.11659	7.1
124.03970	2.7
125.09595	1.6
129.06992	1.8
130.04979	4.7
131.08575	4.9
132.99518	2.9
133.10117	7.5
135.11694	5.5
137.09601	1.9
137.13269	1.1
142.03217	1.4
143.08563	2.4
145.10085	3.2
147.11673	10.2
149.09624	2.8
149.13219	5.4
151.11147	3.5
153.12718	5.7
157.10109	2.4
158.02660	3.0
159.11714	2.0
161.13277	4.7
163.11150	2.9
163.14876	2.3
165.12741	17.6
167.10620	1.0
170.09998	1.5
171.11674	1.6
173.02638	1.8
173.13237	2.2
175.11198	1.7
175.14818	2.8
177.12727	1.2
179.14310	2.0
185.13318	1.1
187.07803	1.1
189.12682	1.3
203.14348	1.2
207.13782	1.4
209.15381	2.0
215.09764	2.9
215.53647	0.9
217.19539	1.4
221.15259	1.4
231.04341	1.2
231.21065	3.1
241.19470	1.8
249.22035	7.0
251.06993	4.7
259.20657	4.9
277.21600	100.0
278.21991	4.1
295.22672	29.4
295.25806	1.2
309.18735	3.5
334.21869	1.4
335.20309	3.4
352.22824	5.4
353.21411	4.4
363.19897	1.2
370.24423	1.2
380.22485	3.1
398.23584	34.3
399.23093	1.4
413.32141	1.0
416.19147	1.9
416.24597	29.2
418.23871	2.2
436.25024	1.7
460.97293	1.1
482.26147	1.1
506.12341	1.0
509.26349	1.5
527.27490	3.9
528.26129	2.0
545.28967	19.8
560.79187	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	545.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
52.35175	0.8
53.03936	1.4
55.01871	1.7
55.05508	9.7
56.05032	3.2
57.03410	0.9
57.07074	1.5
58.99585	2.8
65.00403	0.9
65.03925	2.1
67.05497	23.9
69.03429	1.2
69.07062	12.7
69.24505	4.1
71.04973	2.0
74.00673	1.7
76.02242	4.5
77.03927	1.2
79.05487	33.0
79.05950	1.6
80.05032	1.1
81.03426	0.8
81.07052	30.5
83.04975	1.3
83.06110	2.0
83.08618	5.5
84.04501	34.6
84.31250	0.8
85.02930	1.2
85.06578	1.6
86.99063	1.5
87.04478	1.3
88.03999	3.0
89.06046	1.0
91.05476	21.6
93.07038	50.7
94.07421	0.9
95.04962	5.3
95.08603	22.7
96.04536	1.0
97.06505	4.0
97.10177	2.9
102.05509	2.0
103.05412	1.0
105.00089	1.6
105.04486	1.5
105.07025	17.0
106.02868	0.8
107.04970	0.9
107.08585	31.8
108.08852	0.8
109.06537	1.9
109.10149	8.5
111.02662	2.1
113.04273	0.9
117.07004	6.8
119.04939	1.1
119.08566	13.3
121.02878	1.5
121.10138	18.5
122.02717	14.9
123.02693	0.8
123.08031	1.6
123.11752	2.4
124.03947	6.2
125.04258	2.3
125.07150	1.1
126.05508	1.4
129.06953	2.9
130.05003	11.2
131.08563	9.0
133.08620	1.1
133.10130	9.3
135.08104	1.3
135.11684	25.1
137.04250	1.0
137.09634	0.9
137.13182	1.0
138.05527	5.1
139.05792	2.0
142.03192	4.9
143.08543	4.5
143.88071	0.9
145.10124	8.5
147.04385	1.7
147.08061	1.3
147.11687	13.3
149.09622	1.9
149.13251	16.1
154.05038	1.1
156.06601	2.9
157.10104	2.4
159.11745	3.8
161.09641	1.3
161.13231	6.8
163.14859	3.7
164.03474	1.5
165.07338	1.0
171.07668	3.0
171.11685	5.9
173.13292	3.8
175.11243	1.2
175.14856	2.1
181.12305	1.1
183.11710	1.0
185.13278	3.1
188.03809	4.9
189.12711	1.6
195.13795	1.2
198.52895	0.9
199.07167	1.4
199.14774	1.7
203.14450	1.5
207.13831	2.7
217.08228	3.2
221.15349	2.1
223.11667	1.1
224.16429	1.5
229.19653	1.1
233.05919	1.3
234.04279	2.4
235.16911	2.8
241.19530	3.5
249.05405	2.0
251.06940	15.0
251.09319	1.3
257.04517	1.8
259.20544	7.1
275.20004	4.3
277.21609	100.0
278.21988	3.4
284.29260	0.9
287.05383	4.7
291.17694	5.3
295.22684	3.6
307.17252	1.1
309.18805	9.7
352.23181	2.1
358.44550	1.0
370.24292	2.5
380.22437	1.9
381.21002	5.0
383.11255	5.6
398.23593	16.3
399.21939	7.0
400.22882	1.0
416.24545	20.3
482.25702	1.0
509.26578	2.9
510.26102	0.9
527.21716	0.9
527.27997	8.0
528.26288	1.5
545.10541	1.0
545.29169	32.3
546.28986	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	545.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46629	0.6
60.05645	2.8
62.42181	0.5
62.79390	0.5
63.37156	0.5
65.53410	0.5
70.03851	1.8
70.06588	5.4
108.75208	0.6
116.07079	2.0
130.09740	0.6
133.17865	0.6
142.08241	0.6
155.06604	3.3
158.09195	1.0
169.09383	2.1
171.10880	6.0
172.09288	1.3
173.02966	0.8
173.07681	6.0
175.11916	7.1
176.59761	0.6
187.10439	1.5
189.11961	5.4
195.05023	1.6
196.09280	1.0
197.08832	2.6
213.06035	0.7
215.09875	6.9
216.08264	1.3
222.10840	4.1
224.12408	4.4
224.70367	0.5
233.10966	1.9
234.10844	2.3
237.06004	1.1
239.13519	0.8
240.11925	9.2
249.12115	0.8
251.13519	14.3
252.11937	2.1
255.07185	0.6
261.06107	0.7
266.14673	1.4
267.12949	2.8
268.16022	0.6
269.14569	73.2
270.12720	2.3
270.14874	2.5
276.13071	1.5
279.07068	1.4
291.07028	0.7
293.15750	2.5
294.14066	5.3
311.16736	25.2
312.14801	1.2
336.16208	1.9
339.09317	5.3
353.19003	8.9
357.10217	2.4
371.19974	100.0
372.20172	4.4
411.17929	0.7
481.73154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.3
53.03932	3.8
55.01865	6.5
55.05507	40.7
57.03431	10.5
57.07070	8.2
59.04997	2.8
60.99061	1.0
62.13039	1.1
65.03930	4.5
67.05497	84.2
69.03423	5.1
69.07062	21.7
69.42490	3.4
71.04984	7.0
71.08617	5.8
73.06500	1.0
74.88949	1.0
77.03916	2.3
79.05484	53.6
81.03410	34.6
81.07049	76.9
83.04977	7.0
83.08609	24.5
85.02872	1.4
85.06541	4.3
85.10181	2.3
87.04446	7.0
89.06026	11.4
91.05473	46.3
93.07037	50.9
94.07375	1.2
95.04958	30.6
95.08596	49.1
97.06533	7.2
97.10156	25.4
97.57796	1.3
99.08047	1.6
103.05470	1.9
105.04501	2.2
105.07021	51.9
107.04945	8.7
107.08581	34.3
109.06521	8.5
109.10146	31.7
109.37959	0.9
109.66228	1.0
111.08071	7.7
115.05458	2.5
117.06999	18.8
119.04901	1.2
119.08569	33.7
121.06481	13.5
121.10142	19.9
123.08092	5.3
123.11707	12.5
125.09624	20.9
128.06235	2.4
128.08513	1.2
129.06981	13.2
131.08554	31.4
133.06494	4.4
133.08578	8.2
133.10114	23.8
135.08032	9.2
135.11676	17.2
137.09621	4.3
137.13246	3.5
141.06972	3.5
142.07751	2.8
143.08560	12.5
145.06480	3.6
145.10106	23.4
145.11215	1.8
147.08018	7.1
147.11667	17.7
149.09576	5.7
149.13235	7.5
151.11119	1.7
153.09125	1.8
153.12738	1.8
155.08553	4.4
155.10670	1.3
157.10112	10.8
159.08089	4.2
159.11665	16.7
161.09618	3.6
161.13277	8.9
163.11182	4.8
163.14816	3.7
165.09148	2.4
165.12738	1.3
167.08543	1.2
169.10135	5.8
171.11626	7.6
173.09621	3.0
173.11818	2.0
173.13214	11.4
175.09859	1.1
175.11203	4.2
175.14827	4.8
177.11212	3.2
177.12752	2.0
177.16399	1.7
179.14270	1.2
181.10179	2.5
183.11729	4.2
185.13269	5.3
187.11205	3.2
187.13297	1.5
187.14786	6.0
189.11206	14.1
189.12726	2.1
189.16333	2.7
191.14317	3.0
193.12231	14.0
195.11743	3.0
195.13667	1.3
197.13295	4.5
199.14832	4.2
201.16374	2.6
203.14374	1.5
205.15848	1.4
207.11725	1.9
207.13704	1.9
209.11636	1.5
209.13426	1.3
211.13190	2.1
211.14973	1.9
213.16406	1.9
217.16022	1.5
219.13934	1.1
219.17487	1.5
223.14977	1.9
225.16457	1.0
227.12718	19.1
227.14636	1.2
233.15373	2.8
237.16307	1.4
241.19638	1.4
243.15858	1.4
243.21109	4.1
247.17021	2.0
247.20361	1.9
249.18584	2.2
257.18985	1.4
259.20432	1.3
261.18909	1.4
261.22110	18.4
262.22479	1.3
267.15863	30.8
267.48624	1.1
270.54498	1.1
273.18484	1.7
273.22226	1.5
275.20132	1.7
277.21719	1.3
279.23209	2.5
283.20663	1.2
283.24008	1.8
285.22003	6.5
287.20200	2.3
291.23123	3.2
295.22797	1.7
299.23633	3.8
301.21881	1.3
301.25192	26.5
303.23175	3.2
307.18811	1.5
311.20096	1.3
311.23730	1.4
313.21655	1.9
317.24786	4.5
329.21146	2.3
329.24960	1.9
335.25827	20.9
341.24689	2.3
357.28024	2.2
359.25830	2.5
393.27917	1.3
403.24011	2.9
407.33090	1.6
417.26495	1.6
417.31589	3.2
421.25934	3.6
435.27368	2.0
435.32538	13.0
453.33655	22.5
471.34579	12.7
489.35651	1.5
509.36401	4.3
527.37280	68.3
528.37585	3.7
529.37592	1.3
545.38306	100.0
546.38849	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
52.05323	0.3
53.03935	1.2
55.01856	1.2
55.05256	0.4
55.05505	5.9
55.73238	0.2
57.03434	1.7
57.07058	0.5
59.04990	1.7
60.01106	0.2
65.03946	0.6
67.05499	12.5
69.03413	0.6
69.07063	3.6
71.04996	1.5
73.02917	1.7
73.06542	1.4
77.03920	1.0
78.99516	0.6
79.05484	14.2
80.05820	0.5
81.03412	4.1
81.07048	11.9
83.01123	0.3
83.04990	1.3
83.08619	3.2
85.06541	0.6
87.04462	3.5
89.05466	0.4
89.06021	8.2
90.06354	0.4
91.05471	12.2
92.05814	0.6
93.07036	9.6
95.04964	6.6
95.08596	7.8
97.06522	1.8
97.10158	3.3
99.03255	2.1
99.08083	0.4
103.05455	6.7
103.07578	0.9
104.05798	0.4
105.04562	2.1
105.07019	100.0
106.07351	8.8
107.04949	2.0
107.08585	5.8
108.03817	0.4
109.06502	1.2
109.10139	4.6
111.04332	0.6
111.08068	0.8
112.99995	1.7
113.05937	0.4
115.05421	0.5
117.07011	3.1
117.09132	0.7
119.04930	0.9
119.08559	6.1
120.08912	0.5
121.04571	4.5
121.06492	10.6
121.10125	3.9
121.54748	0.4
122.06836	0.6
123.08045	0.5
123.11681	1.8
124.03934	1.1
125.09592	2.7
127.01556	19.9
128.01904	0.5
128.06213	0.9
129.06993	3.6
131.04930	0.3
131.07022	0.8
131.08559	8.7
132.08911	0.8
132.24089	0.3
133.06473	0.8
133.08585	3.2
133.10109	4.9
135.08081	1.3
135.11653	2.3
137.09599	0.4
137.13310	0.5
139.01544	3.5
139.11237	0.3
141.07021	0.4
143.05875	1.9
143.08501	1.6
145.06474	0.8
145.10091	3.8
147.08038	16.2
147.11662	2.7
148.08383	1.7
149.09602	4.5
149.13225	2.2
150.09952	0.8
151.11266	0.3
153.03101	18.4
154.03477	1.0
155.08589	0.7
157.10112	1.5
159.08043	0.3
159.11684	2.2
161.09689	0.4
161.13185	1.5
163.11153	0.8
165.07152	1.9
165.09123	0.6
165.57330	0.4
166.07906	0.3
169.10106	0.7
171.11693	1.1
173.09570	0.5
173.13225	1.9
175.09679	0.4
175.11214	0.6
175.14821	0.9
176.15329	0.2
177.11234	1.3
177.12689	0.5
181.10101	1.2
183.04199	1.0
183.11705	0.7
184.16945	0.8
185.13243	0.6
187.08501	0.4
187.13286	0.4
187.14812	0.6
189.11253	1.4
189.12703	0.4
191.10612	0.5
191.14262	0.3
193.10504	0.4
193.12253	1.7
195.11748	0.6
197.05716	5.5
197.13284	0.5
199.14896	0.6
205.12233	0.4
209.09639	0.4
209.13312	0.5
213.16504	0.4
223.11240	0.9
224.11575	0.3
225.12714	5.7
226.13110	1.0
227.12706	2.1
233.15471	0.4
235.20592	0.4
241.08334	0.6
247.17014	0.6
249.12735	1.1
249.14969	0.3
251.14352	0.9
252.23154	0.6
259.09113	0.3
259.20615	0.5
261.22092	1.8
266.21143	1.0
267.15912	3.3
268.56857	0.3
269.15265	0.7
271.09268	0.4
279.23322	0.4
281.72086	0.3
285.22192	0.8
293.21478	0.3
294.20605	1.9
301.21698	0.5
301.25110	2.4
303.11920	0.5
303.23169	0.4
315.69623	0.4
317.24799	0.5
327.17459	0.3
334.27386	0.5
335.25885	2.7
359.25427	0.3
362.26956	1.5
373.21875	0.6
417.31461	0.5
435.32446	1.4
453.33728	2.4
471.34753	1.5
527.37262	7.8
545.28534	4.3
545.38226	11.1
546.38470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.5
53.03935	4.0
54.46809	1.4
55.01872	8.2
55.05506	43.3
57.03431	15.7
57.07067	3.1
59.04990	2.4
60.50134	1.7
65.03938	5.6
67.05499	84.7
69.03426	4.5
69.07060	23.4
69.55844	6.8
71.04985	5.6
73.02918	1.5
77.03967	1.6
79.05487	59.5
79.05949	3.2
81.03413	31.3
81.07047	76.4
83.04984	8.1
83.08610	23.7
85.06542	5.1
87.04473	3.5
89.06015	11.5
90.06384	1.7
91.05473	48.7
92.05842	1.4
93.07037	51.3
95.04958	28.0
95.08598	48.5
97.06516	7.4
97.10152	24.9
99.08104	2.6
103.05460	5.4
105.03375	1.7
105.04536	2.2
105.07017	85.4
106.07358	9.9
107.04934	9.8
107.08587	36.7
108.08980	1.7
109.06540	7.1
109.10153	31.4
111.08098	5.2
115.05480	2.9
117.07000	21.2
119.08566	36.3
121.04546	2.0
121.06490	12.5
121.10132	25.4
123.08079	6.5
123.11707	12.5
125.09610	22.4
125.55350	1.3
127.01575	5.2
128.06270	2.2
129.07002	14.7
131.08557	36.3
133.06509	4.4
133.08592	3.7
133.10117	25.8
135.08038	8.5
135.11681	16.2
137.09621	3.9
137.13264	2.9
139.01558	1.9
141.07031	2.5
142.07765	2.0
143.08566	12.8
145.06473	1.4
145.10124	26.5
145.11256	2.5
146.98170	3.9
147.08015	10.2
147.11682	18.1
148.08389	1.7
149.09621	5.5
149.13232	8.5
151.11238	2.9
153.03134	6.4
153.09128	2.1
153.12773	2.0
155.08575	4.1
156.09300	1.8
157.10155	11.5
159.08070	2.6
159.11690	18.5
161.09654	3.1
161.13240	9.1
163.11197	3.5
163.14803	3.9
169.10161	5.9
169.51659	1.5
171.08134	1.8
171.10257	2.5
171.11642	12.3
173.09660	2.7
173.11815	2.4
173.13223	14.5
175.11218	5.0
175.14822	4.7
176.96320	1.4
177.12810	3.0
177.16298	2.1
181.10094	2.6
181.51360	1.2
183.11713	4.8
185.13248	9.4
187.11028	1.4
187.14844	5.9
189.09566	2.1
189.11192	11.7
189.12651	1.8
189.16405	2.3
191.14340	1.8
193.12277	9.3
195.11732	4.3
197.13321	5.0
199.14789	7.3
201.12822	2.1
201.16356	3.7
203.14268	1.9
203.17789	1.6
209.13341	3.1
211.14919	2.1
213.16409	2.2
221.13409	1.5
223.14935	2.1
225.16388	2.0
227.12737	16.0
233.15497	2.3
243.07414	1.4
243.21107	4.3
247.16997	3.5
259.16980	1.6
259.20685	2.3
261.22177	13.3
267.15884	23.7
273.22058	2.4
279.23221	2.1
285.22141	5.0
287.20123	3.0
299.23834	2.5
301.21918	2.8
301.25220	22.0
303.23227	3.2
305.21216	2.1
310.55478	1.5
315.23199	1.8
317.24869	4.3
329.21060	2.4
335.25836	15.8
341.24664	1.7
347.22205	4.0
359.25946	3.5
417.31537	1.9
421.26321	1.9
435.27350	2.7
435.32422	10.1
445.29504	1.6
449.29617	2.0
453.33578	14.1
471.34622	12.0
486.26862	3.0
491.35757	1.8
501.35760	1.7
509.36224	2.0
527.37292	59.1
528.37714	3.5
545.38361	100.0
546.38702	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01862	2.2
55.05505	24.6
57.03435	13.6
57.07056	5.9
59.04974	3.6
65.03930	5.5
67.05494	71.8
69.03419	2.8
69.07058	21.2
69.88468	2.1
69.88792	3.9
71.04984	4.7
71.08611	5.3
71.68417	1.5
73.49798	1.5
76.47694	1.4
77.03931	2.0
79.05482	72.1
79.05952	3.7
81.03414	14.9
81.07047	81.6
83.04974	19.6
83.08595	10.2
85.06530	4.7
87.04458	45.3
88.04783	7.8
89.06023	4.1
91.05470	75.1
91.36891	1.5
93.07034	67.2
95.04950	23.9
95.08588	39.6
97.06526	7.2
97.10155	6.2
98.23349	1.9
99.08109	2.5
103.05456	3.7
105.04505	6.4
105.07017	100.0
107.04938	14.2
107.08584	25.2
109.06506	5.8
109.10139	13.8
111.08065	4.5
112.99987	3.6
115.05445	3.9
117.07008	11.1
119.08572	32.6
121.06484	4.2
121.10134	22.4
123.08079	2.2
123.11695	4.5
127.07512	1.9
128.06229	2.0
129.06984	13.3
131.08559	26.4
133.08612	2.2
133.10110	39.5
135.07956	2.3
135.11688	14.1
137.09686	1.8
139.01543	5.7
142.07724	3.4
143.08569	6.6
145.10098	15.4
147.08026	5.7
147.11681	21.2
149.09608	4.2
149.13234	8.2
151.11131	2.1
155.08546	3.4
157.10124	22.2
159.11647	9.2
161.13249	4.1
163.11142	5.6
163.14830	2.8
167.08496	2.4
169.10143	3.4
171.11673	3.9
173.09572	3.8
173.13235	5.9
175.11201	14.3
177.12700	2.8
181.10089	2.4
183.04115	2.4
183.11688	1.9
185.13251	4.0
187.14732	4.1
193.12178	15.1
199.14847	2.6
201.16266	2.4
219.82219	1.8
227.12735	2.4
243.21083	3.9
261.22165	14.0
265.14325	6.5
267.15872	52.7
275.84976	1.5
277.59604	1.6
317.24982	2.5
335.25766	23.9
385.45370	1.7
417.31381	2.8
435.32672	3.8
453.33450	4.2
471.34286	3.2
527.37256	30.4
528.37421	2.2
545.38342	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86042	2.9
79.21447	1.0
98.23421	0.9
103.05460	1.6
111.96278	0.9
131.04919	1.4
414.05783	1.8
424.08640	1.3
432.06775	4.7
442.05228	55.5
443.05432	1.9
460.06311	19.4
513.24530	1.1
514.24829	1.8
518.11902	10.1
528.10406	1.5
545.26526	1.3
546.11542	100.0
547.12036	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	546.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.05507	0.7
67.05482	1.3
69.03425	2.5
69.07061	1.0
69.25880	0.4
69.86942	0.9
69.87267	0.8
71.04996	0.8
78.03452	1.7
79.05479	1.5
80.05008	4.3
81.03415	17.0
81.07049	0.9
83.04975	1.1
83.92038	0.4
85.02898	0.7
86.09696	0.7
87.04462	0.7
89.06042	0.6
91.05467	2.2
93.07023	1.5
95.04956	1.9
95.08619	1.1
96.04485	3.2
97.02887	0.7
97.06530	0.9
99.04437	0.6
105.07019	3.1
106.02888	3.0
107.04959	0.7
107.08567	1.3
109.02872	6.0
109.06511	0.7
109.10143	0.5
110.06134	0.4
111.04424	1.3
115.05418	0.5
117.07018	1.4
119.04906	0.5
119.08583	2.3
121.02905	3.0
121.06516	0.7
121.10148	0.4
122.03172	1.0
124.03947	100.0
125.04281	0.8
127.03899	3.5
128.06201	0.8
129.06978	1.6
131.08536	2.1
133.06488	0.6
133.10101	1.3
135.08012	0.9
138.05540	2.9
141.06969	0.6
142.07779	1.0
143.08546	2.3
145.06514	0.7
145.10117	2.5
146.74246	0.4
147.04413	0.6
147.07982	0.7
147.11690	0.4
155.08533	0.8
156.09357	0.7
157.10120	3.1
159.08046	0.9
159.11609	2.0
161.06032	0.4
161.09660	1.3
163.11177	1.1
165.06854	0.5
165.09152	0.7
166.87292	0.4
167.08612	0.4
168.00591	0.6
169.10129	1.8
171.11679	3.4
173.09576	0.7
173.13254	5.3
175.11096	1.0
179.08586	0.6
181.10114	0.6
183.11690	0.8
185.09593	0.6
185.13242	0.8
189.12730	1.7
191.14336	0.7
192.09306	0.5
195.11658	0.9
197.13278	0.6
199.11218	0.9
201.12737	1.2
207.11763	0.5
209.13185	0.5
217.12212	0.7
219.13779	0.9
224.74789	0.4
229.12085	0.5
231.13756	0.7
233.11766	0.7
250.07101	1.5
253.15965	0.5
257.04419	0.5
261.12781	0.9
263.14432	0.6
271.13254	0.6
286.04663	1.3
287.05267	2.8
288.05853	1.2
299.05502	0.8
299.16504	1.0
300.05792	2.0
309.14920	0.7
327.15826	1.0
340.09143	0.7
345.16934	0.7
366.10501	0.8
383.11322	2.8
384.11563	9.9
422.19788	0.7
450.19153	0.8
468.19998	1.2
486.21072	1.1
546.23425	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	546.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
52.04326	0.3
53.03932	0.7
55.01852	0.5
55.05492	0.6
55.66641	0.3
56.05021	0.3
57.03428	0.4
67.05491	1.3
69.03419	1.9
69.07048	0.5
70.06580	0.5
71.04985	0.7
71.42638	0.3
72.08139	0.4
78.03454	4.5
79.05490	2.0
80.05019	4.0
81.03410	2.9
81.07053	1.3
83.04974	0.7
86.06058	2.9
86.09721	1.5
87.03958	0.6
87.04462	7.0
88.06214	0.3
91.05473	2.4
93.07041	1.8
94.40224	0.4
95.04958	1.1
95.08593	1.1
96.04489	4.6
96.42176	0.3
97.02884	0.7
97.06524	0.8
99.04450	1.6
104.05349	0.5
104.07104	8.8
105.07042	2.4
105.54104	0.3
106.02913	11.9
107.04957	0.6
107.08590	1.6
109.02876	1.2
109.06507	0.7
111.04457	0.7
111.78900	0.3
117.07024	1.8
119.04935	0.7
119.08598	2.4
121.02850	0.7
121.06493	0.4
121.10156	0.8
123.08097	0.4
124.03948	100.0
125.04292	0.8
125.06003	0.4
127.03924	1.1
128.06252	0.4
129.06989	0.9
130.07809	0.6
131.08568	3.1
133.06458	0.6
133.10110	1.1
135.08063	0.6
137.05984	0.4
138.05501	3.8
139.05859	1.6
140.03426	0.3
141.06960	0.6
142.07730	0.6
143.08530	1.9
145.06497	0.5
145.10138	2.9
146.11627	0.4
147.04398	0.5
147.07970	0.8
147.11656	0.6
149.13271	1.0
155.08545	1.2
156.09341	0.5
157.10155	1.7
158.07076	0.3
158.10905	0.5
159.08022	0.4
159.11665	1.2
161.09627	0.7
161.13214	0.8
163.11119	0.4
163.14810	0.9
165.07042	0.3
167.08504	0.5
169.10127	0.6
171.11626	0.7
173.09662	1.0
173.13258	5.2
175.11220	0.5
179.08562	0.6
181.10146	0.4
183.11685	1.0
185.13261	0.5
187.11171	0.9
189.12758	0.6
191.14346	1.2
193.10165	0.4
195.11707	0.6
197.09529	0.6
197.13354	0.8
199.11270	0.5
201.12723	2.0
203.13995	0.4
207.11653	0.3
209.09550	0.4
211.11197	0.5
213.12695	0.6
217.12238	0.4
219.13890	1.1
221.13293	0.6
225.09070	0.3
225.12691	0.7
229.12433	0.4
234.07677	0.5
239.07111	0.4
250.07101	5.7
263.14322	1.0
271.13217	0.6
281.15244	0.8
286.04730	0.6
287.05246	0.8
288.92041	0.4
313.06964	2.6
327.15787	0.8
345.17010	0.4
383.11230	0.8
384.11508	3.0
394.16437	1.0
404.18533	0.9
422.19656	1.3
432.18015	0.6
450.19131	1.1
468.20178	4.0
486.21170	0.5
528.22400	0.5
546.23334	12.8
547.23956	0.8
553.94348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
51.52297	0.1
51.66979	0.1
53.03933	0.3
62.19313	0.1
67.05470	0.2
69.03410	0.1
78.03447	1.1
79.04215	0.2
79.05474	0.2
80.05013	4.7
81.03406	0.8
81.07040	0.2
83.04945	0.1
87.04437	0.2
91.05474	0.4
93.07031	0.1
96.04488	3.4
97.02911	0.2
105.07024	0.4
106.02923	1.4
107.08597	0.2
109.02884	0.3
119.08593	0.3
121.08514	0.1
121.10123	0.1
124.03946	100.0
125.04266	1.1
127.03938	0.1
131.08572	0.2
133.10129	0.2
135.08067	0.1
140.03429	0.2
142.53510	0.1
145.10103	0.2
157.10103	0.3
161.13216	0.1
171.11682	0.3
173.13248	0.4
183.11665	0.1
185.13316	0.2
201.12784	0.1
250.07179	0.2
299.16132	0.1
320.47263	0.1
327.15765	0.2
345.16910	0.2
389.91412	0.1
493.81351	0.1
528.22211	0.2
546.23407	5.3
547.23730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77658	0.9
55.01859	1.2
55.05499	2.3
55.17749	0.9
57.03456	1.0
59.04989	1.1
61.25156	0.8
67.05500	4.5
67.61373	0.9
69.03424	11.1
69.07055	1.6
69.25629	5.5
69.52502	0.9
71.04979	1.3
73.02927	1.0
78.03453	3.7
79.05484	5.2
80.05000	3.2
80.42675	1.0
81.03416	35.4
81.03897	2.0
81.07048	4.3
83.04983	2.9
85.02885	2.5
85.06510	1.1
87.04462	2.1
89.06012	1.4
91.05473	9.4
93.07035	3.2
95.04961	4.0
95.08594	3.4
96.04478	3.8
97.02891	2.8
97.06526	2.8
99.04435	6.4
105.07015	7.7
106.02910	11.2
107.04979	1.2
107.08575	5.4
109.02883	5.2
109.06468	1.3
109.10117	1.1
111.04439	2.0
115.05447	1.5
117.07009	5.9
119.04943	2.2
119.08572	8.7
121.02841	2.2
121.06498	2.4
121.10165	1.5
123.08062	1.4
124.03946	100.0
125.04306	2.1
125.06002	1.2
127.03915	14.9
128.06195	2.9
129.05466	1.5
129.06978	4.1
130.04935	1.0
131.04927	1.0
131.08568	18.1
133.06471	1.8
133.10120	3.2
135.08076	1.8
135.11708	2.2
141.07014	3.0
142.07742	2.9
143.08548	9.5
145.04999	8.3
145.06187	1.4
145.10106	13.1
147.04405	2.6
147.08041	1.6
147.11765	1.0
149.13240	1.6
151.03934	1.7
153.07037	1.6
155.08575	5.5
156.09291	2.4
157.06573	0.9
157.10107	8.1
158.10892	1.9
159.08058	2.5
159.11649	4.5
161.05977	1.1
161.09610	1.6
161.13245	2.2
163.11150	1.6
165.07004	1.5
166.07687	1.1
167.08534	3.0
168.09366	1.7
169.10107	4.1
171.11668	7.4
173.09625	3.6
173.13249	32.9
175.11029	1.4
179.08543	4.1
180.09290	1.4
181.08600	1.1
181.10086	3.8
182.11014	1.1
183.11678	5.5
185.13278	2.1
187.11151	2.1
188.32446	0.9
189.12704	6.5
191.10646	4.6
191.14272	3.2
192.09230	1.4
193.10133	3.6
195.11731	4.0
197.09615	2.2
197.13234	4.1
199.11241	1.3
201.12764	7.1
205.10219	1.1
206.10909	2.4
207.11723	2.8
209.09723	1.7
209.13229	3.5
210.78476	1.0
211.11165	1.7
213.12712	2.1
217.12300	2.0
218.11076	1.2
219.13765	13.1
220.12433	1.4
221.13208	4.2
223.11229	1.3
234.17667	1.0
235.14815	2.2
237.12823	1.1
239.14291	1.6
250.07014	2.6
251.14214	1.3
253.15970	1.4
267.13721	1.2
269.15378	1.5
273.14920	1.2
281.15344	3.2
299.16370	2.1
309.14722	1.8
317.17529	1.8
327.15918	6.0
345.16962	5.3
397.48904	1.2
405.18973	1.6
422.89807	1.0
423.20090	20.6
424.20444	1.2
436.18198	1.8
450.19000	2.6
454.19089	1.3
461.16592	2.4
468.20087	1.8
510.21506	1.6
528.22345	1.4
546.24359	4.8
547.17834	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	546.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01863	1.1
55.05500	1.3
57.03439	0.8
57.07063	0.6
59.04985	2.3
61.02902	0.6
67.05500	3.0
69.03422	8.1
69.07070	1.1
70.06586	0.7
71.04975	1.2
71.41607	0.5
72.08120	0.5
73.02907	1.6
73.06538	1.8
78.03435	2.3
79.05480	2.8
80.05011	4.1
81.03410	23.5
81.07048	4.0
83.04967	2.8
83.40786	0.7
85.02892	1.8
86.09708	0.5
87.04458	11.8
89.06010	2.7
91.05465	6.2
93.07029	2.3
95.04942	2.5
95.08595	2.1
96.04501	3.1
97.02884	1.6
97.06521	2.5
99.04422	3.6
103.05452	0.7
105.07008	6.1
106.02901	8.4
106.48569	0.6
107.04927	1.4
107.08579	3.4
109.02870	4.3
109.06505	1.6
109.10149	0.7
111.04403	1.7
113.00007	0.8
115.05436	1.0
117.07030	3.3
117.09128	1.8
119.04903	1.5
119.08556	3.9
121.02877	3.7
121.06491	1.7
121.10118	1.3
123.08024	1.1
124.03938	100.0
125.04293	0.7
125.05967	0.9
127.03899	4.1
128.06224	1.2
129.06967	2.8
131.08551	10.0
133.06471	1.3
133.08597	1.0
133.10097	1.8
135.08026	0.9
137.05891	0.9
138.05449	1.3
141.06998	1.7
142.07782	1.8
143.08516	4.8
144.09323	1.0
145.04935	2.0
145.06464	0.8
145.10092	8.1
147.04448	1.3
147.08020	1.7
147.11604	1.0
149.09622	0.7
154.07750	1.1
155.08528	3.2
156.09363	1.1
157.10092	4.4
158.10855	0.7
159.08002	1.3
159.11632	2.7
161.09641	1.0
161.13257	1.2
163.03876	0.8
163.07515	1.1
163.11113	0.7
163.14824	0.8
165.01855	0.6
165.07022	1.4
167.08485	1.7
168.09357	1.5
169.10080	3.8
171.07947	0.8
171.11656	4.1
173.09628	1.2
173.13243	19.0
177.09131	0.8
177.11133	0.7
178.07730	0.8
179.08540	1.3
180.09238	0.9
181.10085	1.9
183.08038	1.0
183.11632	3.4
185.09583	1.1
185.13165	0.9
187.11182	1.0
187.14868	0.6
189.09111	0.9
189.12735	4.4
191.10693	1.8
191.14294	2.2
192.09384	0.9
193.10114	1.0
194.10873	0.8
195.11667	2.1
197.09599	1.1
197.13309	2.0
199.11162	1.1
200.12843	1.6
201.12737	4.5
203.14098	0.7
206.10864	1.0
207.11665	2.6
213.12761	0.7
217.12238	1.0
219.13773	6.6
220.12370	0.7
221.13225	1.9
225.12740	1.0
235.14790	1.4
239.68794	0.6
242.91490	0.8
247.05960	0.7
250.07062	3.7
252.07439	0.9
253.15891	0.6
263.14429	1.3
271.13281	0.8
281.15396	2.3
286.04868	0.9
287.05249	1.1
297.14783	0.9
299.16324	1.9
309.14743	0.8
313.06876	0.6
317.17468	1.2
327.15793	2.8
336.16861	0.9
345.17026	3.5
364.16058	1.3
383.11166	2.0
384.11530	6.9
408.18719	2.2
410.19687	1.1
423.20084	12.3
436.18347	1.9
450.19150	1.6
454.19131	2.2
468.19824	1.4
470.21182	1.2
510.21225	1.6
528.22479	1.9
546.23560	8.8
549.33789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
55.05516	1.6
58.54670	1.2
61.01133	3.1
67.05499	3.3
69.03427	3.1
71.43251	1.3
72.34718	1.1
75.53939	1.1
78.03445	2.1
79.05476	3.7
80.05022	3.4
81.03413	16.6
81.07035	2.3
83.04964	2.0
87.04456	13.0
89.00600	6.5
89.06013	4.7
91.05474	4.7
93.07063	2.1
95.04964	3.7
95.08613	1.5
96.04488	4.0
99.04469	2.7
100.12042	1.3
105.00102	1.4
105.07023	5.1
105.45956	1.4
106.02894	4.7
107.04951	2.2
107.08589	3.0
109.02863	5.0
111.04386	2.4
117.07000	1.8
119.04922	2.0
119.08582	6.9
121.10156	1.9
124.03944	100.0
127.01571	1.7
127.03938	3.2
129.07025	2.6
131.08537	4.7
133.08598	3.2
133.10098	2.9
135.08012	1.8
138.05478	12.0
139.05809	4.0
143.08501	3.9
145.10139	4.8
147.04417	2.7
153.03088	3.1
155.08504	2.2
157.10117	3.3
159.11674	3.7
161.09607	1.7
161.13249	4.4
163.11183	2.6
168.09348	2.1
171.11630	3.2
173.13271	4.1
183.11708	2.9
189.12723	2.6
237.12843	2.0
250.07243	2.0
253.15944	1.6
255.13669	4.3
273.14731	11.3
347.74786	1.4
351.12616	1.6
415.15576	2.3
433.16623	4.8
451.17755	5.7
546.24249	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	546.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21376	3.0
54.31375	3.2
55.05476	4.6
58.99581	3.9
59.03403	3.4
59.04996	5.1
67.05516	7.4
69.03432	14.8
70.06593	8.5
70.80515	3.8
71.40919	3.7
72.08160	4.8
74.00672	4.3
79.05478	4.2
81.03412	13.6
81.07056	9.1
83.04982	10.7
84.04501	6.6
85.02901	5.5
86.00648	7.5
86.09704	18.6
88.02213	21.8
88.03999	7.5
91.05479	11.1
93.07040	9.5
94.06579	4.1
95.04980	7.1
95.08591	7.1
97.02876	7.2
100.02251	4.8
105.07029	13.8
107.08562	6.5
108.24888	4.2
109.02899	5.5
109.06566	3.6
111.04462	9.7
112.03963	3.6
114.03745	3.7
116.01688	14.9
117.07017	8.5
119.08590	14.4
122.02728	3.7
124.03951	10.6
128.06209	4.4
129.06982	5.3
131.08589	15.8
132.01181	10.9
133.10117	7.6
138.05510	36.5
140.00047	3.6
141.06955	3.6
142.07738	4.6
143.08586	5.5
145.10178	16.6
146.02704	3.8
147.04385	7.4
155.08534	8.5
157.10175	17.4
158.02617	4.2
159.11674	8.4
161.09727	3.6
163.11218	6.9
165.09053	4.2
169.10139	8.3
171.11667	10.2
173.13239	26.8
179.08505	3.5
181.10086	4.9
183.11702	10.5
187.11174	5.8
197.13309	5.3
201.12712	6.0
207.11765	5.5
209.13295	6.4
221.13188	4.8
273.14996	20.2
283.16870	5.2
294.15259	5.5
343.01355	10.2
361.02319	41.8
379.03381	12.4
404.19119	10.8
414.17316	11.1
432.18356	100.0
450.19418	87.8
468.20621	4.7
487.05267	13.5
492.20358	4.4
505.06778	4.9
510.21683	7.5
528.22406	4.7
546.26910	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84383	2.2
55.05503	15.0
63.86277	2.1
67.05500	18.8
69.07054	6.5
69.08767	16.6
75.18597	2.5
79.05487	13.5
81.03425	6.0
81.07050	20.0
83.04960	3.4
83.08624	5.7
91.05468	14.3
93.07023	21.5
95.04960	8.1
95.08583	18.9
97.02877	8.7
97.06532	3.3
97.10110	3.1
105.03380	8.2
105.07014	19.0
107.08595	12.1
109.06573	4.1
109.10142	8.4
117.07030	5.4
119.08575	19.8
121.06511	4.9
121.10120	7.7
123.08089	3.0
125.02396	2.6
125.09616	3.3
129.07011	5.8
131.08537	12.4
131.78049	2.2
133.10106	9.1
135.07956	3.3
135.11688	6.6
135.34026	2.4
142.07751	7.1
143.08508	11.7
145.10097	26.3
147.08046	2.6
147.11682	6.7
149.09518	2.8
149.13202	3.8
155.08502	9.3
156.09315	8.3
157.10097	20.9
158.10852	3.9
159.08058	7.2
159.11671	16.7
161.13277	6.1
163.14774	2.8
165.06976	5.3
166.07841	3.9
167.08524	6.6
168.09276	3.6
169.10085	20.7
170.10895	19.5
171.11646	16.6
173.09544	8.3
173.13213	8.3
175.07628	3.0
175.14740	3.0
179.08536	5.9
180.09329	5.7
181.10109	29.0
182.10884	5.7
183.11681	19.4
184.12436	7.1
185.09625	7.8
185.13275	16.2
187.11166	3.0
187.14792	24.9
193.10175	12.4
194.10794	7.3
195.11618	15.2
196.12459	31.8
197.09566	2.9
197.13278	17.5
199.11125	4.8
199.14856	8.7
201.09094	5.6
201.12730	2.7
207.11746	10.8
208.12451	10.9
209.09601	8.3
209.13210	8.3
211.14783	100.0
212.15416	7.7
213.12741	10.6
215.14307	6.4
221.13361	6.4
222.14055	4.0
223.11179	7.3
223.14799	34.7
225.12894	2.8
227.14371	4.7
229.08548	4.5
229.15909	7.3
233.13229	9.7
235.14607	3.1
236.12076	3.2
237.12752	4.0
237.16319	7.0
241.15964	5.7
243.21150	4.5
247.09666	9.4
247.14847	8.6
249.16357	2.8
251.10442	3.6
251.14275	68.2
255.17575	3.3
261.22159	8.4
265.15921	11.6
267.13644	4.3
269.11862	4.3
269.15356	6.7
278.13080	4.0
283.16980	9.3
285.14957	2.9
293.15359	23.2
301.17993	3.5
311.16357	25.5
329.17416	75.7
335.25946	3.0
347.18549	6.6
371.18555	7.6
389.19525	65.2
432.60156	2.4
450.46017	3.2
485.95361	2.7
527.37323	3.5
528.37268	5.7
545.38153	4.8
546.38263	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	546.27
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67614	27.1
78.73586	13.1
79.05519	15.9
91.05475	18.4
95.04952	20.8
95.08598	15.9
105.03400	100.0
105.07034	31.2
119.08600	35.9
121.10151	19.4
124.03941	17.9
131.08607	15.8
133.10104	29.9
145.10097	41.1
155.08592	18.7
157.10161	16.4
159.11736	26.1
171.11710	21.7
173.13257	15.2
183.11774	35.5
185.13257	16.0
187.14774	21.5
199.14835	16.1
223.18460	12.3
311.16357	82.2
329.17554	78.3
391.30069	14.4
466.22549	13.2
545.95679	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	546.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.9
57.03425	1.3
57.07066	1.4
61.46238	1.3
67.05497	7.5
69.03403	1.7
69.07066	3.8
69.53854	3.1
69.54257	4.9
69.99299	2.4
78.98042	1.3
79.05492	7.7
81.03406	3.5
81.07048	12.1
83.04967	1.5
84.81765	1.3
91.05466	9.0
93.07034	12.2
95.04955	6.1
95.08603	11.8
97.06470	1.7
98.23429	1.9
99.01933	1.5
99.45145	1.4
105.07012	15.3
107.04924	1.8
107.08595	10.1
109.06498	4.8
109.10206	2.6
117.07017	2.7
119.04858	1.8
119.08566	14.4
121.06499	1.5
121.10104	8.4
123.04347	1.5
123.08046	2.1
123.11687	2.2
124.03954	1.7
125.02357	3.3
129.06956	4.0
131.08571	11.0
133.10117	10.5
135.08029	4.3
135.11653	1.6
137.09651	1.6
139.26640	1.3
141.06963	2.4
142.07822	2.3
143.03374	8.0
143.08536	8.0
144.09270	2.9
145.10132	16.9
147.08052	3.7
147.11633	6.8
149.09590	5.6
149.13210	2.9
153.06935	2.1
155.08556	6.7
156.09322	7.6
157.04910	4.3
157.10146	11.4
158.10829	2.2
159.08060	3.4
159.11671	14.4
161.09566	2.4
161.13255	2.9
167.04376	1.7
167.08559	2.7
168.09239	1.7
169.04892	1.9
169.10121	7.7
170.10899	6.2
171.08029	2.1
171.11649	15.0
172.08803	3.3
172.12399	2.8
173.09595	7.4
173.13260	13.0
175.11224	2.8
175.14804	1.7
177.09099	1.6
177.12759	6.3
179.08566	3.5
180.09283	2.4
181.10118	9.6
182.10927	2.2
183.11617	7.4
185.09601	3.5
185.13226	7.6
187.11182	4.0
187.14812	12.3
188.11951	2.6
189.12749	1.9
192.09285	2.9
193.10097	5.7
194.10869	4.7
195.11687	11.5
196.12431	8.0
197.08054	2.6
197.09656	2.3
197.13243	4.7
198.13875	2.4
199.11191	1.5
199.14792	1.7
201.09093	2.8
201.12752	3.6
205.10240	1.4
206.10968	3.5
207.11734	10.7
208.12376	3.2
209.13199	4.5
210.13980	1.5
211.11266	2.0
211.14801	23.1
213.16255	2.0
214.13515	1.9
215.14319	4.1
217.10152	1.6
220.12465	2.1
221.13206	18.6
222.13979	3.1
223.11182	4.2
223.14764	4.3
225.12686	2.6
227.10522	1.7
229.15771	7.8
231.17482	2.0
232.12341	1.6
233.09457	1.8
233.13123	1.8
235.14949	1.7
236.15601	15.8
237.11226	4.6
237.16249	4.5
239.14255	2.4
241.96066	1.7
246.51549	1.7
247.09644	3.5
247.14809	4.0
249.16277	1.9
249.27342	1.5
251.10765	7.1
251.14240	3.0
254.16562	2.2
255.13773	1.5
255.17383	3.2
260.11954	2.0
265.12045	1.7
265.15787	6.6
267.13467	2.0
269.11752	2.4
273.11356	2.2
275.14349	2.0
283.16928	6.6
287.12692	1.9
287.16159	2.2
289.17700	1.5
293.15329	29.6
301.14334	4.7
301.17682	3.6
303.15970	6.7
311.16403	6.5
319.19049	6.5
329.17426	100.0
330.17896	3.2
331.84631	1.5
347.18491	31.3
389.19528	48.8
390.20071	3.1
405.30008	2.7
546.24292	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	546.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53260	0.7
56.00380	0.7
56.05035	5.4
56.49035	0.5
57.03413	0.5
58.06590	1.8
59.39565	0.4
60.45387	0.5
68.04990	0.6
69.91880	0.5
70.06586	100.0
71.06940	0.5
71.42703	0.7
71.58685	0.5
72.08147	1.9
74.06075	13.5
80.54447	0.5
82.06562	0.8
84.04493	3.9
84.08132	2.1
86.06055	0.5
86.09703	15.0
88.03988	2.0
98.09700	0.6
101.07143	6.0
102.05544	2.1
116.07091	2.1
120.06573	2.9
124.11221	0.5
125.07107	2.2
126.09106	0.6
126.47928	0.5
129.10260	1.3
130.04994	1.4
142.12274	3.3
143.11783	3.3
167.08195	0.8
169.13400	0.8
185.09219	6.1
187.14397	19.7
187.16075	1.1
195.07660	0.7
196.05966	1.2
199.10707	3.5
213.08684	4.3
215.13866	4.5
216.46931	0.5
217.11823	60.5
218.12154	1.2
223.82822	0.5
229.11887	0.7
245.07698	1.2
255.09787	1.5
297.10815	1.7
314.13412	6.7
330.16565	5.2
332.14465	14.3
419.84665	0.6
546.28113	1.6
572.63458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.6
57.45521	3.0
59.53854	3.2
61.94462	3.5
67.05492	7.1
69.03429	4.0
69.07093	6.8
70.91886	3.9
79.05482	7.3
81.07058	7.5
81.56059	2.9
83.04942	3.6
85.02888	4.0
88.03976	5.5
91.05480	9.3
93.07038	7.7
95.04964	4.0
95.08598	18.5
95.88242	3.5
102.11965	3.5
105.07023	14.1
107.04949	3.9
107.08611	9.6
108.84391	3.0
109.10163	13.6
109.46757	3.7
111.04413	3.0
117.32735	3.5
119.08579	81.1
121.02886	4.2
121.06466	3.9
121.10163	6.6
123.08038	5.1
123.11681	7.1
128.06206	5.3
129.07045	4.4
131.08525	6.0
133.10132	21.5
135.08046	6.3
137.09648	4.1
143.08537	3.9
145.10124	17.5
147.04411	3.8
147.11694	6.3
151.11165	5.6
157.10129	11.4
159.11639	16.3
161.09593	4.2
161.13251	3.7
169.10132	9.0
171.11679	7.4
173.13231	7.6
175.98323	3.5
179.10426	4.7
183.11604	15.7
185.13248	10.3
197.13231	7.1
199.14771	5.4
201.16389	10.7
211.11172	12.8
211.14821	5.3
213.09033	5.4
223.14734	4.2
225.16364	11.2
227.14204	5.2
239.17844	8.7
243.10097	4.2
249.16293	7.7
253.12137	3.3
267.17471	21.2
269.15115	3.8
275.12787	5.9
285.18445	30.3
287.05069	4.4
289.18042	4.1
295.16919	26.3
303.19504	4.6
313.17923	53.6
331.19003	100.0
332.19305	4.0
349.19995	21.2
381.07715	2.9
384.11285	6.7
502.51559	3.6
554.60175	4.0
573.75812	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	546.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05500	1.1
56.96568	0.4
57.03437	0.4
57.07079	0.4
59.04985	0.4
67.05505	3.0
69.03422	0.3
69.07056	1.6
78.03459	1.6
79.05480	2.6
80.05009	4.0
81.07056	4.7
83.04973	1.0
83.08635	0.5
89.06031	0.4
91.05473	3.0
93.07042	4.6
95.04966	0.7
95.08602	3.9
96.04488	3.4
97.06526	1.6
98.97534	0.3
99.08102	0.4
103.07555	0.5
105.07011	5.1
106.02905	4.7
107.08591	3.3
108.04471	3.0
109.06484	0.3
109.10129	2.4
111.08101	0.4
115.05408	0.5
116.06178	0.3
116.98613	0.5
117.07007	3.1
119.08578	3.2
121.06569	0.3
121.10113	2.1
123.11615	0.3
124.03944	100.0
125.04279	1.2
128.06226	0.3
129.06998	1.2
131.08569	3.8
132.41681	0.3
133.10126	2.5
135.08037	0.6
135.11681	1.1
138.05432	0.3
141.06960	0.5
142.07745	0.7
143.08562	2.1
144.09302	0.3
145.10106	4.2
147.08070	0.3
147.11700	1.2
149.09615	0.7
149.13228	1.0
155.08517	1.0
156.09312	1.6
157.10136	2.9
159.11679	3.7
161.01004	0.3
161.13252	0.9
169.10172	1.3
170.10886	0.3
171.11685	4.9
172.12260	0.3
173.13254	1.7
175.11240	0.4
175.14816	0.6
183.11667	1.1
184.12488	0.3
185.13264	2.4
186.14009	0.8
187.14813	1.7
197.13254	1.2
199.14790	1.9
209.13264	0.4
211.14825	0.8
213.16367	0.7
215.17941	0.3
225.16362	0.9
255.58981	0.3
262.96527	0.3
267.21027	1.0
285.21979	1.2
303.23087	0.5
387.79681	0.3
390.24448	0.4
398.26892	1.1
408.25281	21.5
409.25439	0.7
426.26346	9.5
427.26645	0.4
444.27280	0.4
459.16708	0.4
468.27432	0.8
486.28461	6.4
487.28772	0.5
528.29694	0.4
540.71881	0.3
546.30402	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	546.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.7
57.82402	4.1
59.19988	4.0
59.74326	4.4
61.02913	9.3
67.05496	47.9
69.07066	14.3
71.08651	8.9
71.43786	5.4
79.05491	27.0
81.07049	50.1
83.08640	10.7
85.02905	10.0
89.06022	14.2
91.03941	7.3
91.05488	21.4
93.07047	46.5
94.90439	4.6
95.08601	43.0
97.10175	6.1
105.07038	19.7
107.08567	29.2
109.10159	22.9
117.07047	8.8
119.08580	12.4
121.10135	29.6
123.11745	9.1
124.03943	73.3
124.16334	5.5
125.09666	5.4
125.35520	4.9
131.08537	16.3
133.08598	12.9
133.10147	13.2
135.07993	5.6
135.11679	23.2
137.09602	7.8
137.13260	6.6
141.01151	4.6
145.10124	8.2
147.11693	8.1
147.41855	4.7
149.13272	15.5
159.11681	15.2
161.13293	8.1
163.14809	12.3
173.13260	16.0
175.14899	4.5
187.14934	8.5
201.16237	5.0
243.21071	30.4
261.22134	100.0
261.24899	6.3
297.75439	4.1
315.60468	4.0
335.25742	16.8
353.26797	26.5
520.59180	4.8
546.24670	13.2
546.38611	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	546.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	14.9
57.02302	3.7
57.03423	5.5
61.02942	6.7
65.03931	2.9
67.05496	54.0
69.07064	10.7
71.04984	4.8
79.05486	34.0
81.03421	6.8
81.06576	4.4
81.07044	65.1
82.07409	3.7
83.08599	5.8
85.02906	5.6
91.03956	5.7
91.05466	24.4
93.07046	40.0
94.07352	3.5
95.04984	7.1
95.08596	56.6
97.02898	5.4
105.07030	17.3
106.07317	3.7
107.08585	32.5
109.10155	27.6
117.07021	11.4
119.08560	18.4
121.10126	25.7
123.11678	16.8
124.03967	7.2
127.01572	5.1
131.08556	19.3
133.10162	16.4
135.11691	29.3
137.13287	5.3
145.10100	11.6
147.11688	13.7
149.13242	14.2
151.11134	4.0
159.11674	14.6
161.13252	14.2
163.14848	12.7
173.13268	14.8
175.14877	5.4
177.16335	7.1
178.02548	3.2
187.14854	10.4
205.15858	3.7
211.14670	3.8
243.21016	28.7
261.22107	100.0
262.22552	6.1
279.23343	3.7
329.17422	4.6
335.25717	28.8
336.26123	3.5
353.26852	21.9
389.19394	5.0
528.37494	9.4
546.21680	55.5
546.38452	17.5
547.21356	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	546.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99191	1.2
55.05513	1.4
57.07074	28.9
60.16143	1.1
69.07074	2.4
69.93761	2.1
69.94131	2.0
71.08630	42.5
73.06571	2.4
85.10182	23.2
85.79501	1.1
87.04464	11.7
89.06031	100.0
91.05474	12.1
93.07048	12.3
95.04984	3.6
95.08636	1.4
103.05463	3.6
105.04527	1.7
105.07052	3.4
107.04985	3.5
107.07079	4.4
107.08627	2.9
107.37737	1.2
109.06499	1.1
117.07003	1.8
118.07786	2.1
119.04964	4.0
119.08598	5.4
120.39164	1.0
121.06501	45.5
121.10165	1.3
127.14821	2.8
130.08667	1.4
131.07040	2.9
131.08612	1.1
133.08603	68.8
135.08069	6.3
135.11697	1.7
145.10086	1.1
147.08046	10.8
149.09616	4.4
163.11162	2.9
165.09117	23.0
167.10722	2.0
175.09718	1.3
177.11241	25.6
177.12788	2.2
191.10692	4.0
209.11687	11.5
211.13316	1.5
221.13710	5.4
247.20587	17.1
253.14362	2.1
265.16528	1.5
273.22073	2.2
291.23166	33.3
292.23541	1.7
299.09021	1.2
315.17941	4.9
317.24939	1.3
335.25702	8.2
339.03870	1.2
359.20532	2.5
383.04791	1.2
403.23315	22.2
424.04022	1.5
468.50656	1.1
528.10419	2.6
529.37274	16.6
546.31775	1.3
546.39740	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	546.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
53.13350	1.2
55.01847	1.5
55.05506	7.8
57.03442	1.9
57.07069	20.0
67.05506	11.5
68.05833	1.5
69.07053	6.3
70.07384	1.2
70.93800	1.4
71.04988	1.3
71.08627	38.6
73.06526	2.5
77.44331	1.2
79.05477	8.8
80.05812	1.9
81.03415	4.3
81.07056	11.3
82.07384	1.8
83.08601	5.2
85.10175	21.5
87.04461	10.2
89.06025	100.0
90.91508	1.0
91.05476	21.5
91.68501	1.2
93.07037	21.1
94.07379	2.4
95.04967	8.8
95.08601	5.7
96.05301	2.3
96.08929	3.1
97.06534	1.4
97.10165	3.2
103.05475	4.4
105.04515	2.3
105.07030	12.8
106.07381	1.6
107.04943	4.4
107.07050	3.3
107.08599	7.3
109.10159	3.2
110.10473	1.7
117.07007	4.4
119.04944	4.9
119.08593	9.2
121.06496	50.3
121.10153	2.3
121.55282	1.1
122.10498	1.6
123.08107	1.2
123.11713	2.3
124.12101	1.4
125.09592	2.8
127.14784	2.5
129.06985	2.4
130.08627	1.2
131.07053	3.1
131.08542	4.7
132.08807	1.6
133.08597	68.4
133.10149	2.7
134.10469	2.1
135.08043	10.4
143.08574	1.6
145.10124	3.7
146.10526	1.3
147.08029	13.6
147.11678	1.7
149.09610	14.6
149.13269	1.4
157.10185	2.4
159.11687	1.4
160.11971	1.5
163.11142	3.7
165.09103	22.2
169.10062	1.4
173.09547	2.3
173.13220	1.3
177.11191	26.4
187.14934	1.3
187.35323	1.1
191.10675	2.6
193.12233	2.7
194.12537	1.7
198.85117	1.3
209.11723	14.0
211.13277	2.4
221.13892	3.6
227.12769	1.7
228.13104	1.1
233.14980	1.1
235.13293	2.0
247.20538	12.0
253.14304	2.0
267.15967	2.0
268.16235	3.8
271.15399	1.1
273.22095	3.3
291.23166	28.3
297.16943	1.7
301.25201	1.6
302.25528	2.2
315.18088	3.2
317.24817	1.5
335.25851	9.7
359.20541	2.9
403.23221	26.2
436.32718	2.0
454.33994	2.4
472.34735	2.6
528.37677	11.1
529.37408	17.2
546.38757	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04349	0.7
50.39454	0.8
51.83791	0.7
57.98661	0.7
58.07371	0.8
62.46996	0.8
65.92572	0.8
66.17037	0.9
69.03424	1.0
69.48192	3.4
77.63779	0.8
81.03437	0.9
85.02923	1.1
86.99036	1.0
91.05511	1.1
100.96942	0.8
103.05474	1.1
105.07032	1.5
105.96858	0.8
107.08565	0.8
108.02110	2.5
108.58998	0.8
114.98476	1.3
131.04929	2.4
136.01576	1.1
142.03227	3.5
145.02879	1.1
148.98270	0.9
154.02670	0.9
170.02721	1.1
170.97488	3.1
177.05556	1.0
183.88324	0.8
191.01514	1.0
198.96927	1.9
210.06804	4.4
216.98077	5.3
230.42546	0.9
231.44208	0.9
238.06230	28.9
239.06619	0.8
239.84639	0.8
255.06613	1.0
266.05710	25.7
267.05945	1.3
270.05295	0.8
283.05945	1.9
284.06717	9.8
285.07474	1.1
299.09119	100.0
300.09476	3.3
303.03143	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1445
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.88968	0.3
53.03930	0.4
55.01867	0.5
61.02928	0.3
65.79031	0.3
69.03419	1.3
69.88187	0.8
75.99164	0.3
81.03415	1.2
85.02892	2.1
87.00823	1.6
97.02875	0.7
99.04459	0.5
105.01862	0.4
105.03413	0.8
109.02855	1.0
122.24937	0.3
127.03907	1.0
136.01552	1.4
151.00203	0.5
152.01028	1.1
159.02838	0.6
179.03400	0.9
182.02158	0.8
198.01640	0.6
207.02896	0.4
238.06190	4.2
239.06837	0.5
241.04906	0.4
254.05702	1.9
255.06508	19.4
256.06982	0.9
266.05734	1.9
267.06439	4.2
269.04395	0.5
270.05188	1.1
281.04434	0.5
283.05994	20.5
284.06763	19.8
285.07053	1.0
299.09116	100.0
300.09436	3.7
456.37170	0.3
505.66769	0.3
545.95972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1442
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.04349	0.7
50.39454	0.8
51.83791	0.7
57.98661	0.7
58.07371	0.8
62.46996	0.8
65.92572	0.8
66.17037	0.9
69.03424	1.0
69.48192	3.4
77.63779	0.8
81.03437	0.9
85.02923	1.1
86.99036	1.0
91.05511	1.1
100.96942	0.8
103.05474	1.1
105.07032	1.5
105.96858	0.8
107.08565	0.8
108.02110	2.5
108.58998	0.8
114.98476	1.3
131.04929	2.4
136.01576	1.1
142.03227	3.5
145.02879	1.1
148.98270	0.9
154.02670	0.9
170.02721	1.1
170.97488	3.1
177.05556	1.0
183.88324	0.8
191.01514	1.0
198.96927	1.9
210.06804	4.4
216.98077	5.3
230.42546	0.9
231.44208	0.9
238.06230	28.9
239.06619	0.8
239.84639	0.8
255.06613	1.0
266.05710	25.7
267.05945	1.3
270.05295	0.8
283.05945	1.9
284.06717	9.8
285.07474	1.1
299.09119	100.0
300.09476	3.3
303.03143	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1448
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
60.84679	0.2
68.99779	0.4
69.03424	0.3
69.17834	1.0
69.18246	0.4
70.06560	0.2
80.06702	0.2
98.22659	0.4
103.05447	0.4
105.03334	0.3
109.08431	0.2
120.31991	0.2
121.02904	0.3
139.00226	2.2
163.03917	0.5
181.04947	0.4
200.37535	0.2
205.08591	2.4
241.04930	13.9
242.05298	0.4
269.04422	62.2
270.04788	1.7
284.06775	13.5
285.07068	0.4
299.09109	100.0
300.09430	3.1
307.47092	0.2
347.04291	0.4
479.04150	0.3
518.24310	0.2
547.14374	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	547.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52388	2.1
56.96563	8.1
57.03436	2.8
58.04201	2.7
67.05502	3.9
69.03429	7.8
69.07071	4.6
69.09691	14.0
73.02901	20.0
79.05502	4.5
81.03414	24.5
81.07093	3.3
82.03753	2.4
82.41000	2.3
84.96026	4.4
87.04457	5.5
88.10330	2.4
89.05512	4.8
89.06026	38.9
91.05473	10.5
95.08605	2.9
98.97577	34.9
99.04462	5.8
101.06024	2.8
105.07063	6.1
106.02932	3.4
107.04928	2.7
110.97579	6.1
111.04443	2.7
116.98631	6.0
117.07040	6.1
119.08568	5.0
124.03956	40.9
125.04301	7.2
127.03928	5.7
128.98611	7.1
129.07043	4.0
131.08513	5.5
132.08955	4.2
133.08604	24.3
134.99681	2.6
140.98586	3.1
143.00223	4.2
143.08583	4.1
145.05038	4.0
145.06488	2.9
145.10107	4.6
146.10445	3.6
146.99637	3.7
147.04395	4.3
149.69128	2.8
151.03999	5.0
152.98653	3.3
155.08502	4.2
157.10127	2.9
158.99641	9.5
161.01236	6.2
161.05945	3.3
169.10114	3.8
170.99744	3.4
171.11668	4.4
173.13303	8.6
174.13623	7.5
177.00740	4.8
177.11194	7.2
177.12668	2.8
189.00752	3.4
189.12744	3.5
190.13156	4.3
201.12830	5.3
219.01804	9.0
219.13887	5.7
220.14169	4.2
237.02756	15.4
306.54648	2.8
329.13293	7.6
341.12952	2.7
347.13705	18.9
424.20486	11.8
461.16977	82.3
462.17517	3.0
503.18933	15.3
547.17786	100.0
548.18378	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	547.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
52.55283	0.5
53.03940	0.7
55.01872	3.9
57.03433	2.4
57.30875	0.4
61.02917	0.7
65.03951	3.7
68.99801	0.7
69.03419	1.6
69.29685	2.3
71.01373	0.6
73.02930	1.0
75.69218	0.5
79.05485	3.3
81.03425	4.8
83.01336	0.7
85.02906	8.0
91.05476	100.0
92.05817	1.1
93.03415	0.8
95.01324	2.1
95.04982	2.3
97.02892	2.7
98.22742	0.8
103.03928	2.1
103.05476	2.9
105.03378	1.6
105.07025	84.5
106.07364	1.2
107.04971	1.3
109.02873	4.5
115.05454	9.7
117.07005	2.0
119.04913	1.2
121.02859	6.2
123.04412	2.2
127.03902	0.5
128.06238	1.0
129.07011	2.9
131.04924	2.5
133.06485	5.5
135.04379	1.0
137.02341	0.5
139.03879	3.4
141.06982	1.5
143.04921	0.8
143.08545	0.5
145.06442	1.8
147.04430	2.7
149.02316	1.3
149.05968	1.2
151.03905	6.3
153.06998	1.1
155.04871	2.0
155.05957	0.5
155.08575	0.6
157.06483	8.8
159.04396	1.9
159.08070	0.7
161.05965	2.5
163.03891	4.9
165.05534	0.9
165.06970	0.9
166.85889	0.5
167.08533	1.1
169.06430	1.4
171.04408	1.0
173.02325	0.8
173.05978	1.9
175.03891	3.9
175.07530	1.1
177.01836	1.4
177.05452	3.6
178.07776	1.5
179.03430	0.6
179.08527	1.7
181.06467	1.6
181.10078	0.7
183.07996	1.1
185.05923	1.7
187.03883	3.3
187.07526	0.6
189.05449	2.4
191.03395	1.4
191.08553	1.5
192.09227	0.7
193.04922	1.2
193.06526	1.1
193.10155	1.1
195.02908	0.8
195.08018	1.0
197.05952	1.3
199.03928	1.5
199.07472	0.8
201.05489	5.1
202.06108	0.7
202.07784	1.8
203.03380	1.2
203.06978	1.4
203.08582	1.6
204.09338	0.6
205.04959	12.2
205.06763	1.1
205.10143	1.5
207.08044	1.5
207.11600	0.7
209.05962	1.0
209.09621	2.0
211.04015	0.5
213.05478	3.4
215.03389	1.8
215.08607	1.7
216.04265	0.5
217.04913	8.2
217.10097	1.8
219.02948	0.6
219.08109	1.5
219.11511	0.5
220.08682	0.6
221.06003	0.8
221.09555	1.1
223.07614	1.0
225.05472	2.0
227.03319	0.8
227.07021	1.3
228.09331	1.0
229.04898	4.5
229.10109	1.5
230.05556	0.7
231.02921	0.8
231.06508	1.8
231.08348	0.7
231.11678	0.7
232.08853	1.3
233.04437	1.0
233.09621	1.4
235.05763	1.0
235.07784	1.0
237.05447	1.0
237.09122	1.4
239.03496	0.6
239.06931	0.9
241.04892	4.0
241.10149	1.4
242.05684	0.8
243.06317	2.6
245.04442	0.7
245.09599	1.7
246.10446	0.8
247.05971	1.8
248.08305	0.6
249.09109	1.7
251.07135	0.8
252.09302	0.8
253.04958	1.7
253.08339	0.7
254.05779	1.5
255.06519	1.9
257.04440	1.2
259.05865	4.3
260.08194	0.5
261.09116	1.7
263.07053	2.2
263.10733	1.1
265.08661	2.8
266.05618	0.6
267.06543	1.2
269.04428	1.8
269.09656	1.1
271.06009	5.4
271.09631	3.6
273.09155	1.5
274.09866	1.0
275.07275	0.9
275.10629	1.6
277.08621	3.8
279.10046	0.6
281.04489	0.9
283.06024	2.2
283.09607	5.5
285.08942	1.0
287.10474	0.8
289.08591	2.7
291.06430	1.6
291.10104	5.0
295.06039	1.3
295.09491	6.7
299.05533	1.0
299.09268	0.5
301.07159	1.8
303.10095	2.3
305.08041	1.0
307.06192	0.8
307.09622	3.2
309.07651	1.7
309.11215	1.5
311.05536	0.8
311.10513	0.9
313.07095	0.8
314.09177	0.6
315.10065	2.2
317.08093	1.3
317.11792	1.5
318.08752	0.7
318.12787	0.6
319.09634	6.1
321.07739	0.6
321.11258	1.1
323.08801	0.6
325.10895	3.8
327.10071	1.3
329.08069	0.9
329.11682	0.9
331.09595	5.1
333.11142	1.5
337.10693	31.8
338.10776	0.6
339.09998	1.1
341.11603	1.1
343.09680	4.3
345.11230	3.0
347.09161	0.8
349.10684	24.4
355.09583	1.0
357.10950	2.5
359.13000	0.6
361.10703	10.2
363.12360	3.0
365.10135	1.0
367.11801	5.4
368.11130	0.6
369.11154	3.4
373.10605	7.7
375.12253	2.5
377.10162	1.8
379.11746	16.1
380.11984	0.6
383.12656	0.8
385.10364	5.2
387.12195	3.1
389.09842	0.8
391.11734	39.4
392.11853	1.4
395.11121	0.9
397.13083	8.9
399.12451	1.1
401.13968	0.8
403.11670	32.4
404.12000	1.8
405.13165	1.3
409.12949	3.9
411.12167	0.7
413.12277	1.7
415.13928	41.0
416.13678	1.5
421.12726	4.0
427.11957	2.2
429.12970	1.3
433.12811	30.0
434.12955	1.6
439.11853	1.3
445.12845	12.8
446.13245	0.6
451.13876	19.7
452.14325	1.1
457.12756	5.2
463.13831	15.0
464.14252	0.8
469.14868	19.5
470.15094	0.7
475.13870	7.6
481.14871	24.0
482.15332	1.3
493.14807	10.6
499.15903	1.2
511.15997	10.7
529.16980	8.5
547.18182	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	547.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	8.5
61.97826	1.8
67.05495	5.8
69.03422	32.2
69.07072	1.9
74.06101	1.7
75.12917	1.7
79.05472	3.8
81.03419	5.3
81.07052	5.3
83.04977	26.9
83.43062	1.9
91.05463	8.4
93.07035	6.6
95.04951	3.8
95.08604	4.0
97.06534	2.2
105.07018	9.8
107.08590	5.1
109.06515	3.6
111.04433	100.0
113.06036	4.0
117.07002	4.0
119.08560	6.6
121.06473	2.6
124.03965	6.6
125.05984	2.7
128.06235	2.0
129.06999	4.8
131.08536	8.6
133.06502	2.4
133.07562	2.1
133.10109	2.8
141.06955	2.4
142.07742	4.4
143.07021	12.8
143.08575	8.8
145.10127	11.9
147.08093	2.9
155.08560	8.6
156.09338	4.5
157.10153	7.2
159.11722	4.1
165.06941	3.5
165.09091	2.5
167.08563	3.6
169.10114	6.2
171.11656	11.2
173.09650	2.7
173.13213	11.9
179.08580	3.0
180.09320	1.8
181.10135	7.3
183.08026	2.9
183.11659	6.1
191.10719	4.0
192.09329	2.5
193.10162	5.0
195.11757	5.9
197.13336	4.0
201.12790	2.9
203.14429	2.0
206.10928	3.1
207.11700	4.3
209.13235	3.9
211.11110	1.8
213.12720	1.8
217.12321	5.2
219.13672	3.3
221.13278	6.4
223.14885	2.3
225.12798	3.8
237.12746	2.1
237.16336	2.0
247.14981	2.2
249.12747	2.5
253.15833	2.8
258.52637	1.7
265.15866	4.3
277.82056	1.9
281.15128	2.0
283.16998	6.5
293.15445	2.0
311.16571	8.5
311.19986	1.8
329.17493	16.3
387.36923	1.9
389.19547	8.0
392.23627	1.9
421.22144	39.2
459.17911	14.5
547.22961	73.9
547.31274	3.6
548.23022	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	547.2305
Annotation	Vittarin E
Peak:m/z	Relative Intensity
55.05501	8.3
60.25473	2.6
67.05505	7.6
69.03426	38.8
69.07059	4.9
69.69759	3.1
79.05496	3.5
81.03420	5.0
81.07055	8.9
83.04969	29.4
88.55039	3.0
91.05476	12.7
93.07030	8.1
95.04963	4.3
95.08633	6.0
105.07040	14.9
106.46078	3.2
107.08566	6.9
109.06506	4.2
111.04441	100.0
113.06023	6.3
117.07037	3.7
119.08575	6.7
121.06441	4.0
123.08083	4.4
124.03940	5.3
129.06960	4.8
131.08546	11.2
133.10139	6.4
137.06013	3.2
141.07008	6.4
143.07022	11.9
143.08572	9.1
145.10120	16.8
155.08479	7.5
156.09331	5.7
157.10149	11.7
164.35040	3.3
167.08534	6.0
169.10109	3.9
171.11682	15.1
173.09625	4.2
173.13249	12.0
181.10104	8.5
183.11705	7.2
185.13391	4.3
191.10576	4.0
193.10098	5.0
195.11673	9.0
197.13261	4.3
207.11783	4.0
209.13249	5.7
221.13229	7.4
223.11160	4.2
265.15750	5.0
283.16867	6.5
293.15457	3.6
311.16132	16.7
329.17456	18.2
405.29938	5.8
406.30017	17.3
421.22046	36.4
459.17462	10.6
547.22949	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
54.82656	1.9
55.01868	18.2
55.05509	10.7
57.03430	8.3
59.05003	2.9
65.03951	3.1
67.05500	22.9
68.99792	7.6
69.03429	47.6
69.07066	11.1
71.01345	3.2
71.04987	5.9
72.14854	1.7
73.02921	5.7
73.13924	2.3
73.28229	1.9
75.06847	1.8
77.03912	2.6
79.05489	22.4
81.03413	42.8
81.07055	19.7
83.04972	22.4
83.08630	3.0
85.02902	50.3
85.06567	3.8
87.00823	19.5
87.04462	3.1
88.19450	2.2
91.05473	40.2
93.07037	39.3
95.01328	5.3
95.04965	37.4
95.08603	25.4
97.02885	12.6
97.06519	6.6
99.04453	11.7
103.03936	11.2
103.05449	3.7
105.01859	5.8
105.04520	2.9
105.07021	47.8
107.04942	29.2
107.08587	31.5
109.02853	14.7
109.05870	2.1
109.06508	13.8
109.10129	11.7
111.04442	24.8
111.08096	2.7
115.03970	4.2
115.05447	6.2
116.06231	3.1
117.07015	23.2
119.04939	7.5
119.08585	41.8
121.02840	3.4
121.06501	32.1
121.10126	20.0
123.04419	17.3
123.08087	7.1
123.11698	4.2
124.04005	2.2
125.05965	17.8
127.03909	12.8
128.06180	11.0
129.01836	5.2
129.06995	21.6
130.07817	3.4
131.03436	4.3
131.04906	7.2
131.08556	42.4
133.06488	8.1
133.10139	21.1
135.04427	7.0
135.08044	7.8
135.11696	5.4
137.05984	7.6
141.06943	15.1
142.07784	14.3
143.08560	42.2
144.09456	2.5
145.04988	2.1
145.06474	12.1
145.10120	37.4
147.02922	2.7
147.04379	4.1
147.08054	13.0
147.11707	8.2
149.05963	17.6
149.09644	4.4
151.07559	7.0
152.06206	2.9
153.07025	7.1
154.07809	2.8
155.08536	28.1
156.09343	8.2
157.06511	8.5
157.10123	55.6
158.10878	4.3
159.08043	13.6
159.11688	24.5
161.09615	11.7
161.13242	4.7
163.07478	6.0
163.11133	3.0
165.06992	10.3
165.09143	2.8
166.07819	4.8
167.07024	5.8
167.08595	12.8
168.09410	3.8
169.10115	23.1
170.10883	5.2
171.02856	6.2
171.08046	13.3
171.11667	36.9
172.12428	10.0
173.09633	14.6
173.13246	15.1
175.07487	6.6
175.11159	5.2
175.14816	6.0
177.09131	3.5
178.07776	3.2
179.08542	9.3
179.10672	5.8
180.09306	6.9
181.10088	23.7
182.10905	6.1
183.08069	6.5
183.11678	20.2
184.12421	2.3
185.09602	15.3
185.13191	15.3
186.14023	6.8
187.07600	3.1
187.11177	14.3
187.14841	5.7
189.03934	13.0
189.09099	3.7
191.08589	3.5
193.10152	8.3
194.10887	4.1
195.08025	3.2
195.11653	26.6
196.12399	3.7
197.09647	6.9
197.13263	16.7
199.11205	16.7
199.14804	5.5
201.09076	3.1
203.10692	3.5
205.10208	6.8
205.12245	5.7
206.10974	3.4
207.08054	2.2
207.11696	11.9
208.08878	4.9
208.12480	4.6
209.09645	9.4
209.13174	18.3
211.11200	7.8
211.14810	13.8
213.09087	4.8
213.12743	6.0
213.16362	13.2
215.10641	4.3
217.10205	4.4
217.12234	4.4
218.10878	2.7
219.11731	7.2
219.13739	2.3
220.12204	2.7
221.09581	3.6
221.13324	10.0
223.11185	18.3
223.14795	15.3
225.12720	3.7
225.16396	6.8
227.10655	5.8
227.14311	3.6
227.17946	4.4
229.12251	3.4
229.15805	2.8
229.19662	2.4
231.11723	5.6
231.13800	3.6
232.12317	3.0
233.09677	2.6
233.13322	4.7
234.14159	2.2
235.11316	2.7
235.14847	9.6
237.12703	6.9
237.16316	13.3
239.14308	4.8
239.18018	6.2
241.12305	6.5
241.15923	2.9
243.13849	4.1
247.14847	6.8
249.12744	4.4
249.16299	6.5
251.14366	4.0
251.18021	4.5
253.15822	5.9
253.19682	3.4
255.13786	2.7
255.17445	14.0
257.13147	2.6
257.15482	2.5
259.14828	3.2
261.12918	4.3
261.16290	4.9
263.14273	5.3
263.18030	2.3
265.15869	8.4
265.19196	2.0
267.17462	2.7
271.17093	4.2
273.18546	18.4
275.17838	2.4
279.17441	4.4
281.19104	4.3
283.16919	59.8
285.18442	6.6
289.16010	2.6
291.17386	4.6
293.18863	5.2
297.18497	39.1
299.20032	5.6
301.17917	13.4
303.17297	4.3
307.16824	4.5
309.18427	5.7
311.20013	11.7
313.17908	6.0
315.19550	2.8
317.21484	3.1
321.18384	9.7
323.20044	8.1
325.18021	7.9
327.19516	38.6
329.21466	4.9
335.20081	3.6
337.21768	2.8
339.19516	21.7
341.21069	19.0
347.20047	4.8
351.19464	3.4
353.21216	11.1
357.20584	9.4
361.21506	5.2
363.19321	3.2
365.21222	13.4
369.20557	5.5
371.22375	11.0
377.21078	7.4
379.22522	3.7
381.20206	3.5
383.22125	26.8
389.21106	33.7
395.22391	5.3
407.22147	100.0
408.22397	4.5
410.42392	2.3
425.23276	32.1
441.22488	4.0
443.24243	24.9
461.24896	3.0
469.22095	5.4
485.25092	4.1
493.22156	9.4
511.22998	21.6
529.16919	3.8
529.24237	37.8
547.25189	17.9
548.25598	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	548.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66788	0.9
62.74205	0.8
69.28855	5.7
69.53418	0.9
77.20646	0.9
78.78767	0.9
91.05511	1.3
92.05034	2.4
103.05437	6.0
104.05003	2.1
107.04999	1.2
120.04460	9.5
123.32151	0.8
131.04929	14.7
131.05888	1.1
132.04446	1.7
133.05209	2.0
134.06035	1.0
134.80006	1.0
142.03456	0.8
146.06001	1.3
153.01843	2.3
154.06573	2.6
156.04385	0.9
160.03951	2.2
161.04723	5.0
163.03899	1.8
163.85197	0.8
165.01907	2.1
168.13081	0.8
169.22620	1.3
170.06012	1.0
171.02937	1.2
174.05525	2.9
176.07079	2.8
178.01395	2.9
178.45724	0.9
179.03398	2.2
179.05779	6.1
182.06065	1.6
184.03992	0.9
186.05579	1.5
188.03439	1.4
189.04198	11.4
190.04942	1.3
202.04950	6.9
204.06621	1.4
210.05530	2.9
214.05020	2.0
216.06654	1.7
220.06047	1.4
222.05669	1.0
226.05035	2.1
228.03015	1.8
230.04424	4.9
238.04945	12.2
240.06720	1.5
242.04475	2.5
244.06113	2.3
250.05002	1.4
253.03578	4.6
254.04507	3.6
255.06566	2.6
256.02509	0.9
257.08191	2.0
266.04523	10.2
268.06064	2.1
270.03949	10.4
272.05682	3.5
278.04535	11.3
282.07526	1.0
284.05420	1.9
285.02786	3.2
294.04041	4.4
296.05582	6.0
298.03427	10.2
302.02451	1.1
312.05148	2.8
316.04675	2.2
322.03418	31.5
323.03629	1.4
340.04517	8.8
370.10593	5.2
374.10342	1.8
382.10681	5.8
391.84720	1.0
398.10126	1.3
400.11697	1.6
402.09833	7.7
416.11172	1.2
418.13062	2.6
426.09705	67.0
427.10336	3.1
444.05481	1.8
444.10965	23.8
530.16028	31.3
531.16083	1.2
548.17139	100.0
549.17462	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	548.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15627	0.7
56.81273	0.5
68.37455	0.7
68.99733	0.6
79.05392	0.6
86.09615	1.1
88.26894	0.5
88.94872	0.5
91.05391	1.0
91.15795	0.5
91.66701	0.5
92.04874	2.0
95.04893	1.1
103.05453	7.0
104.04939	2.8
104.10681	0.9
105.05653	1.3
120.04463	8.9
131.04924	14.4
132.04323	1.7
133.05209	3.2
134.05893	1.0
144.04340	1.2
146.05887	1.8
153.01790	4.3
154.06543	4.5
158.05952	0.9
160.03839	1.9
161.04712	6.2
162.05356	1.1
163.03748	1.9
165.01698	0.8
166.01231	0.6
166.06453	0.5
168.04358	0.6
170.05853	1.3
171.02805	1.2
174.05461	3.7
176.03339	0.7
176.07031	3.3
178.01208	2.3
179.03268	1.7
179.05777	5.7
182.05862	2.3
183.02750	0.9
184.07359	0.9
186.05347	1.1
188.03268	2.0
189.01610	1.0
189.04184	12.6
190.04810	1.9
196.02252	0.7
196.03842	1.4
198.05379	1.0
202.04968	7.8
204.06407	2.0
210.05405	3.4
212.03271	2.4
213.05357	0.8
214.04857	0.8
216.06445	1.1
220.05922	1.7
222.05496	0.7
226.04814	1.2
228.02765	2.0
230.04462	4.7
236.10475	0.6
238.02675	0.7
238.04942	13.9
240.06419	1.5
242.04309	2.3
244.05881	2.2
250.04904	1.4
252.06381	1.2
253.03720	5.0
254.04448	4.2
255.06607	2.8
257.08102	1.3
264.10104	0.7
266.01669	1.0
266.04413	11.6
267.04819	0.7
268.05978	1.7
270.03940	11.1
271.04471	0.8
272.05539	3.5
276.86127	0.6
278.04465	12.3
282.07404	1.3
284.05414	1.2
285.02560	3.5
292.09415	0.7
294.03851	4.3
296.05466	6.8
298.03424	10.2
312.04926	2.6
314.06488	1.0
316.04446	2.0
322.03421	33.6
340.00620	0.8
340.04468	9.7
348.12308	0.8
358.10461	1.5
370.10696	6.5
374.10132	1.8
382.10669	7.5
398.10101	1.1
400.11710	1.8
402.09686	9.2
416.11279	1.1
418.12720	1.7
426.09662	73.2
427.09943	3.6
444.10831	28.0
445.11249	1.5
488.32489	0.6
530.15967	36.7
531.16791	2.8
548.17047	100.0
549.17590	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	548.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.4
58.06598	11.6
58.35675	0.4
59.07101	0.6
59.07380	5.2
60.08167	4.6
61.92466	0.3
67.37986	0.4
69.03385	0.4
69.99966	1.1
70.06587	2.9
73.02895	0.7
75.04484	2.8
81.03419	0.4
83.06024	0.3
85.02894	1.9
87.04453	3.6
98.22816	0.6
99.84194	0.3
100.07622	1.1
103.03922	0.6
105.05486	0.8
125.72569	0.4
126.01036	0.4
131.07022	1.2
134.84747	0.3
144.10184	1.0
148.02991	0.3
151.03944	2.2
162.11194	0.4
168.10214	0.6
175.11865	1.1
223.49799	0.3
236.14906	100.0
237.15269	2.0
238.17885	0.4
243.10791	1.7
272.78741	0.4
548.16742	2.8
548.23993	9.6
549.23767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
56.05024	0.2
57.03433	4.7
58.06598	11.7
58.06865	0.6
59.07378	4.9
59.07646	0.3
60.08165	5.3
66.02475	0.2
70.06559	0.3
73.02873	0.6
75.04476	3.3
81.03367	0.2
85.02908	1.9
87.04467	3.9
93.05486	0.3
100.07573	0.3
103.03922	0.6
105.05453	0.8
111.04408	0.2
114.05424	0.2
131.07019	1.5
144.10204	0.9
151.03906	2.6
162.11232	0.3
168.10133	0.2
181.42757	0.2
202.46771	0.2
212.63182	0.2
218.13806	0.2
236.14905	100.0
237.15257	1.4
254.17473	0.3
416.22720	0.3
546.64874	0.2
548.17090	0.6
548.23450	10.5
549.23279	0.5
554.85535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71209	0.2
54.03461	0.2
55.01873	0.4
55.05499	0.5
60.04508	0.2
65.03916	0.2
67.05500	1.9
69.07066	3.3
70.06241	0.3
70.06591	3.9
71.08617	0.2
72.04514	2.4
79.05486	2.1
81.07029	0.6
83.04972	0.9
89.07162	0.3
91.05484	0.6
92.04988	0.4
94.06556	0.6
95.04949	1.2
103.05470	0.3
106.06542	1.5
107.04953	0.4
107.08589	1.3
112.07600	4.1
114.08071	0.2
115.05009	0.4
116.27297	0.2
118.06536	0.5
120.04449	0.9
122.06018	2.5
125.09634	1.6
131.04893	0.7
133.05196	0.2
134.06010	3.0
144.04414	0.2
146.06000	9.8
148.96210	0.2
149.09607	0.2
159.64174	0.2
162.05470	1.2
166.01358	0.3
169.48456	0.2
183.11299	3.3
186.22160	0.9
188.03429	0.5
190.04982	100.0
191.05331	1.8
242.80420	0.2
252.10149	0.3
255.17075	0.5
276.09949	0.2
292.09735	0.5
292.94144	0.2
293.10385	0.2
294.11218	70.6
295.11511	2.2
460.20877	0.3
530.26672	0.3
548.13324	0.3
548.27380	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	548.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03927	1.4
55.05513	5.1
57.07067	1.7
58.04185	0.6
65.03917	0.7
67.05497	9.9
69.07066	6.6
70.94596	0.6
71.04988	3.3
71.08600	0.9
73.02899	2.2
73.06539	1.4
75.53201	0.5
77.03913	0.8
79.05487	7.1
80.05508	1.1
81.03427	0.7
81.07050	13.1
82.07390	0.9
83.04928	1.1
83.08607	2.2
85.06530	1.9
87.04469	6.0
89.06023	19.9
91.04932	1.2
91.05474	14.0
93.07039	10.8
95.04948	4.7
95.08600	24.5
95.09213	1.3
97.06527	1.3
97.10146	1.5
103.05463	4.4
104.06302	0.8
105.04523	1.3
105.07022	65.1
107.04936	1.5
107.08579	12.4
109.06507	1.7
109.10126	6.5
111.04433	7.2
115.05426	1.5
117.07020	5.7
119.08570	43.3
120.08824	1.0
121.06499	10.8
121.10136	7.4
123.08009	1.0
123.11703	2.2
125.05984	1.3
128.06221	1.9
129.06976	3.6
130.07726	0.8
131.07051	1.4
131.08549	11.0
133.06480	1.2
133.08636	9.4
133.10115	57.8
134.10466	1.1
135.08011	1.0
135.11664	4.8
137.09575	0.8
139.07564	1.2
141.06964	2.6
142.07750	2.3
143.08537	7.1
144.09296	1.0
145.06470	0.8
145.10107	17.4
146.10837	0.6
147.08034	2.4
147.11676	15.3
149.09596	1.1
149.13248	0.8
151.07581	1.1
153.07069	0.5
155.08563	5.4
156.09282	3.1
157.10123	12.1
158.10878	1.9
159.08072	0.8
159.11690	18.1
160.12473	1.5
160.49538	0.7
161.09602	1.2
161.13243	6.7
163.07510	1.0
165.06964	1.3
165.09085	3.1
166.07802	1.3
167.08537	1.3
168.09290	1.3
169.10120	9.0
170.10876	3.7
171.11670	13.5
172.12447	1.2
173.09669	0.9
173.13239	14.1
175.14803	1.7
177.09018	0.8
177.11172	2.7
178.07762	0.6
179.10649	0.9
181.10124	1.3
182.10919	2.6
183.11674	12.4
184.12418	1.7
185.13219	11.8
186.14005	2.3
187.11168	3.7
187.14824	5.6
188.15515	0.9
189.16377	4.5
191.10660	2.2
193.10149	0.6
193.12204	1.3
195.11694	4.6
196.12419	1.7
196.62109	0.7
197.09581	0.9
197.13231	18.0
198.13879	0.8
199.11128	2.1
199.14781	9.9
201.12738	0.8
201.16351	9.0
203.10579	1.2
205.12207	5.1
207.11761	1.6
209.11496	0.8
209.13232	2.8
210.14023	1.3
211.11136	1.5
211.14807	7.1
213.12672	1.2
213.16364	2.3
215.10617	2.1
215.14293	0.8
217.12265	3.0
219.13863	1.3
221.13470	1.7
222.13855	0.8
223.14723	1.0
224.15616	2.5
225.12746	4.5
225.16382	2.8
227.17790	0.7
229.12253	5.6
231.13783	1.1
237.16379	2.9
238.17133	1.5
239.14259	2.5
239.17908	11.4
243.13739	5.9
253.19490	19.3
254.19913	0.8
255.21040	3.5
257.15393	4.4
263.17883	2.4
269.15414	2.0
271.17505	0.7
271.20490	4.3
281.18964	11.2
287.20142	1.2
299.20016	100.0
300.20358	2.7
317.21030	8.4
548.30841	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	548.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	35.4
62.12996	2.9
69.89935	9.9
71.08626	26.7
73.06544	5.2
83.08624	3.3
85.10174	18.5
87.04456	11.7
89.06023	100.0
105.07028	14.5
111.11711	3.7
113.13265	3.0
121.06467	3.9
133.08586	51.5
157.43353	3.7
159.40443	2.7
166.45926	3.2
177.11183	23.5
195.11957	3.0
221.13884	4.9
238.42580	3.7
257.24771	16.6
271.09375	3.2
283.17639	23.6
301.27332	3.7
451.30234	6.3
451.36276	99.6
452.36569	6.0
468.38852	10.2
517.08728	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	1.7
55.05508	1.9
57.03426	1.0
59.04999	100.0
60.03841	0.5
60.05330	1.0
61.10134	0.5
67.05495	3.3
68.34770	0.6
68.99780	1.1
69.03426	5.5
69.07067	1.8
69.81665	1.3
70.03748	0.6
71.01324	0.6
71.04987	1.5
73.02900	1.6
73.06548	2.1
79.05492	3.3
80.05846	1.0
81.03411	7.0
81.07047	3.4
82.03732	1.5
82.07386	0.7
83.04951	2.9
83.08591	0.5
84.05325	0.5
84.08111	0.9
85.02904	6.1
86.03205	1.3
86.09708	0.6
87.00822	1.2
87.04459	1.7
89.06034	5.6
91.05473	5.7
92.05811	1.7
93.07033	3.6
94.07383	1.5
95.04962	5.0
95.08588	3.6
96.05309	0.7
97.02868	1.8
97.06532	0.7
99.04448	1.3
103.03934	1.5
103.07575	77.6
104.07929	0.9
105.07021	6.0
106.07367	1.7
107.04964	3.1
107.08611	3.3
108.05256	1.2
108.08900	1.1
109.02906	1.2
109.06519	1.4
109.10159	1.0
110.10450	0.7
111.04457	3.1
112.04781	1.3
112.99967	0.6
115.03908	0.7
115.05432	1.1
117.06982	2.4
117.09136	2.5
119.04943	1.1
119.08580	5.0
120.08080	0.6
120.08903	2.6
121.02845	0.7
121.06544	3.6
121.10130	2.1
122.06849	0.9
122.10428	0.8
123.04391	1.5
123.08094	0.7
123.11636	0.6
124.03960	1.8
124.08408	0.7
125.05933	1.8
127.03891	1.9
128.06213	1.3
129.06967	2.1
130.07298	0.9
131.04916	1.1
131.08568	4.2
132.08914	0.9
133.06464	1.2
133.08615	4.3
133.10115	2.7
134.10437	0.8
135.08087	0.7
135.11705	0.9
137.05946	1.2
141.06923	0.8
142.07777	1.4
143.08600	3.5
144.08894	2.1
145.06412	1.1
145.10103	3.6
146.10410	1.8
147.04390	0.8
147.08037	3.2
147.10156	29.5
148.08301	2.4
148.12032	0.6
149.05948	1.7
151.07506	0.7
153.06995	0.9
154.43419	0.6
155.08495	2.5
156.08922	1.4
157.10117	4.8
158.10468	3.0
159.02827	0.7
159.08037	1.3
159.11641	2.3
160.08368	1.0
160.11981	1.2
161.09579	0.7
165.06981	0.9
166.07518	0.8
167.06987	1.1
167.08441	1.1
168.00540	0.7
168.08981	0.7
169.10075	2.4
170.10463	1.7
171.07956	0.8
171.11697	3.2
172.12030	2.6
173.09662	0.6
173.13092	1.2
174.10097	0.7
175.07529	5.4
176.07880	4.7
176.15137	0.7
177.09084	0.8
177.11127	0.8
179.08507	0.7
180.09189	0.7
181.10080	1.1
182.10468	1.1
183.11618	1.4
184.11971	1.0
185.09578	0.9
185.13152	1.9
186.09926	0.8
186.13802	1.4
187.14584	0.7
188.11494	1.0
189.03900	1.7
191.12744	2.0
193.10095	0.8
194.10495	1.3
195.11594	1.4
196.12067	2.3
197.13229	2.0
198.13596	1.6
199.11113	1.2
200.11488	0.8
200.15106	1.0
205.10014	0.6
206.10504	0.8
207.11684	0.6
208.12035	1.0
209.09241	0.5
209.13170	1.4
210.13470	0.8
211.14711	0.7
212.11555	0.6
212.15178	1.0
213.12766	0.8
221.09451	0.7
222.13544	1.1
223.11046	0.9
223.14618	1.0
224.11444	0.7
224.15074	1.3
225.12686	0.6
226.13033	0.9
227.17807	1.0
232.09573	1.7
232.11732	0.8
233.09914	2.4
236.15129	0.9
237.16495	1.0
238.16873	0.9
245.13126	0.8
248.15016	0.7
250.16652	0.9
252.14584	0.6
255.17175	0.9
256.17764	1.2
263.13864	0.7
264.12204	1.8
265.12646	2.9
265.15103	0.6
273.18326	1.1
274.18686	1.7
283.16904	3.7
284.17334	5.1
286.04697	9.3
297.18362	2.2
298.18848	2.9
301.07059	15.8
301.17978	1.0
302.18192	1.5
312.20422	1.4
322.18484	0.8
323.20224	0.9
324.20416	0.9
327.19321	2.1
328.19821	3.5
339.09756	1.2
339.19315	1.1
340.19666	2.1
341.20938	1.0
342.21069	1.7
354.21216	0.7
362.21591	0.8
366.21188	1.6
370.20773	0.8
372.22372	0.8
380.22824	0.8
384.22128	2.5
385.09836	1.2
389.20999	0.8
390.21292	4.8
405.05884	0.8
407.21838	1.6
408.22519	11.9
426.23587	3.9
442.22757	1.0
444.24640	3.0
494.22537	1.3
494.30280	0.8
512.23077	2.5
530.24585	4.9
531.33514	0.8
536.31464	0.6
548.25110	2.2
548.36066	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	548.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
56.03303	0.7
56.05027	1.8
58.06604	1.4
60.08159	19.1
67.05483	3.2
69.07052	1.1
69.77236	1.5
71.07372	7.1
81.07044	3.0
86.09699	53.4
87.01787	0.6
93.07076	0.8
95.08595	2.2
98.98455	4.4
104.10737	100.0
124.99995	30.7
172.48892	0.8
183.10298	0.7
184.07330	97.9
352.73685	0.9
365.30573	1.3
530.35901	5.9
548.37122	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	548.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
56.05025	0.5
57.50687	0.3
58.06586	0.6
60.07874	0.4
60.08165	6.6
62.91146	0.3
67.05499	0.5
69.41349	1.3
69.62231	0.3
71.07378	3.3
73.19599	0.3
79.05483	0.4
81.07014	0.6
81.30685	0.3
86.09703	32.9
86.71884	0.3
95.08584	0.4
98.98436	3.3
104.10754	3.3
105.72533	0.3
114.60391	0.3
124.99996	22.9
131.04962	0.3
142.99913	0.3
157.86539	0.3
168.67392	0.3
184.07335	100.0
185.07686	0.9
205.46173	0.3
333.97412	0.3
356.81259	0.3
375.88229	0.3
458.05487	0.4
483.73206	0.3
530.35669	1.1
540.12457	0.3
548.37079	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	548.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.05511	2.2
56.05026	0.9
57.05801	0.3
58.06591	1.2
60.08161	13.4
67.05495	1.0
67.19389	0.2
69.07065	0.7
69.38153	0.2
70.06585	0.9
70.40751	0.3
72.08153	23.2
84.04520	0.3
84.08141	26.1
85.06538	0.8
86.09703	31.5
87.10024	0.4
91.05481	0.5
93.07037	0.3
100.11247	3.9
102.09185	0.2
103.05475	1.3
105.06966	0.3
106.02972	0.2
109.02863	0.3
112.43978	0.2
114.12785	0.4
114.22756	0.2
120.08098	51.0
121.08442	0.7
122.07159	0.8
124.03960	0.8
130.08635	14.3
138.97006	0.3
141.13853	0.4
143.15427	0.6
144.13811	2.3
167.15442	0.5
175.14458	1.0
189.15971	6.7
194.11720	0.3
199.14355	0.4
205.17264	0.3
207.06648	0.2
219.14906	4.9
229.15520	1.3
233.16469	10.8
247.14447	0.8
261.15961	3.5
261.18198	0.3
274.21155	0.4
281.10706	0.3
288.22849	0.5
300.10876	0.5
421.27896	0.3
431.55203	0.3
548.38031	100.0
549.38281	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	549.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73783	0.2
53.03944	0.5
56.00808	0.2
61.02909	0.2
68.99800	0.5
69.03429	1.8
69.13301	0.4
69.13724	0.9
70.62743	0.2
73.02901	0.4
75.61392	0.2
81.03418	2.0
85.02908	2.1
87.00834	1.0
91.05457	1.0
97.02911	1.1
98.23447	0.4
99.00790	0.4
99.04474	0.6
102.27477	0.2
103.05473	0.3
105.01862	0.4
109.02876	1.0
112.01628	0.2
117.01818	0.2
119.04963	0.9
121.02849	0.8
123.00793	0.3
124.03962	0.9
127.03916	1.3
129.01895	0.3
131.04927	0.6
133.10181	0.2
140.01028	0.8
143.13045	0.2
145.04901	0.4
151.03899	0.5
153.01871	0.2
159.02898	0.5
168.00537	5.3
168.01909	0.4
174.20111	0.2
183.02902	5.1
186.01608	2.9
189.03998	0.2
258.05267	0.9
268.03735	0.6
269.04233	0.4
285.03955	0.2
286.04697	20.8
287.05060	0.6
299.05515	0.2
301.07053	100.0
302.07410	3.5
463.11987	0.3
549.12140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1239
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.98476	0.3
53.24602	0.3
53.71866	0.3
64.88343	0.3
67.05476	0.4
69.03394	0.8
69.25298	1.9
74.73603	0.3
81.03416	1.6
83.04951	0.3
83.71062	0.3
90.00070	0.3
91.05460	0.6
93.06989	0.4
97.02882	0.6
102.14257	0.3
105.07010	0.5
107.04872	0.3
107.08557	0.3
109.06506	0.3
111.04394	0.5
119.04948	0.7
119.08500	0.5
121.02843	1.6
124.03924	3.6
127.03896	0.4
131.04880	0.4
131.08566	0.5
137.05939	1.1
145.10175	0.4
147.04306	0.4
149.06023	0.4
155.61057	0.3
157.10089	0.5
160.05109	0.4
168.00534	6.8
186.01585	3.3
203.14304	0.6
219.11679	0.4
258.05194	1.2
273.15079	0.4
285.03952	0.5
286.04694	62.1
287.04950	1.5
301.07040	100.0
302.07404	2.7
379.89456	0.3
386.17813	0.4
416.16553	0.4
489.20416	1.2
517.18365	0.5
549.12042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75480	0.2
53.03901	0.6
55.01819	0.6
57.03399	0.2
60.51644	0.2
61.02880	0.3
65.03872	0.2
65.45613	0.2
68.99757	0.5
69.03423	1.4
70.03374	0.4
70.03706	0.2
71.04928	0.3
73.02879	0.4
78.64194	0.2
81.03412	2.0
85.02901	2.2
86.09659	0.2
87.00809	1.0
91.05427	0.2
97.02896	0.9
97.52241	0.2
99.04375	0.3
103.05453	1.2
105.01798	0.5
105.06929	0.2
108.02069	0.2
109.02192	0.2
109.02850	1.3
109.54704	0.2
109.99743	0.2
112.89552	0.2
113.44738	0.2
113.79166	0.2
119.04868	0.3
120.05659	0.5
121.02814	0.7
127.03885	1.3
131.04913	1.9
140.01024	0.3
145.02789	0.2
145.04903	0.4
147.04420	0.2
151.03893	5.8
151.04976	0.4
159.02806	0.7
160.05168	0.4
163.07466	0.8
167.07045	1.0
168.00546	1.2
169.04903	0.4
177.05472	0.3
186.01526	0.5
191.07008	0.3
195.04359	1.0
213.05386	0.2
229.04657	0.2
234.05089	0.3
240.04120	0.5
257.04449	0.2
258.05179	0.5
268.03656	0.4
285.03937	0.6
286.04684	58.6
287.05112	1.8
295.07962	0.4
300.02576	0.3
301.07037	100.0
302.07376	3.3
434.98907	0.2
574.72430	0.2
578.30780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1232
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
52.65437	0.0
53.03921	0.2
54.74775	0.0
55.01865	0.2
56.92457	0.1
57.03409	0.2
58.35305	0.0
61.02920	0.2
68.99776	0.4
69.03429	1.2
69.14622	0.3
71.01346	0.1
71.04981	0.1
73.02911	0.2
81.03417	0.8
82.69110	0.1
84.02113	0.2
85.02898	1.4
87.00819	0.5
91.05472	0.8
92.52505	0.1
97.02882	0.5
99.00819	0.3
99.04449	0.4
103.03942	0.1
105.01869	0.3
109.02872	0.8
112.01569	0.6
117.01846	0.0
118.04172	0.1
119.04924	0.5
121.02867	0.6
123.00761	0.1
125.02356	0.1
127.00289	0.4
127.03910	1.4
129.01843	0.2
135.67499	0.0
140.01025	1.4
145.04950	0.3
147.02823	0.1
147.04448	0.1
151.03915	0.1
153.01826	0.6
154.61580	0.1
154.99783	0.1
155.03221	0.1
156.34769	0.1
159.02907	0.3
168.00536	7.3
168.05679	0.1
169.01329	0.4
171.02890	0.1
183.02881	8.3
184.03291	0.1
186.01582	4.5
187.05991	0.1
188.41551	0.1
199.02380	0.2
212.04497	0.1
226.02629	0.1
231.04903	0.1
240.04219	0.1
248.54129	0.1
250.02573	0.1
255.06471	0.1
257.04459	0.2
258.05228	2.3
259.05884	0.2
268.03668	1.2
269.04385	0.5
271.05960	0.3
273.07562	0.1
283.05936	0.1
285.03897	1.3
285.07150	0.1
286.04694	24.9
287.05081	0.7
299.05521	1.3
300.06177	0.2
301.07040	100.0
302.07376	3.2
343.08139	0.6
376.20877	0.1
413.09512	0.1
463.12338	0.3
539.98499	0.1
549.12329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1238
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01837	0.4
67.05462	0.3
68.99763	0.4
69.03385	0.7
69.08291	1.8
69.08706	0.6
72.20680	0.3
73.02851	0.9
81.03372	0.8
85.02903	1.4
87.00788	0.7
89.05960	0.5
91.05427	0.4
95.08553	0.4
97.02833	0.7
99.00736	0.5
105.01820	0.7
105.06982	0.7
109.02853	0.7
109.32932	0.4
112.01485	0.4
112.86978	0.3
117.06967	0.3
119.04881	0.7
121.02859	2.1
126.10426	0.3
127.03852	1.0
133.06335	0.3
135.11681	0.4
137.05994	2.1
140.01051	0.5
159.02837	0.6
163.07480	0.5
166.78731	0.3
167.06964	0.5
168.00531	7.7
168.10629	0.3
170.16913	0.3
177.05351	0.4
186.01605	4.2
199.14798	0.3
207.35426	0.3
234.85384	0.3
255.06395	0.7
258.05185	0.6
283.20657	0.4
285.03653	0.5
286.04694	69.6
287.05142	2.1
301.07050	100.0
301.21603	1.0
302.07397	3.1
454.74918	0.3
549.19836	0.9
549.26892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01881	2.3
55.12572	0.9
55.50387	0.8
55.51744	0.9
57.03451	1.7
61.02938	1.4
61.95848	1.0
67.38327	0.9
68.99796	3.0
69.03437	5.7
69.13093	2.5
69.13524	3.8
70.06593	1.1
73.02905	1.5
79.05521	1.1
81.03416	6.8
85.02908	16.5
87.00826	7.5
97.02892	7.5
98.22765	2.1
99.04464	3.8
103.05452	7.0
105.01881	3.6
105.07069	1.8
109.02864	7.9
115.05438	0.9
127.03928	10.3
131.04924	15.3
136.01543	4.8
145.04947	3.6
145.05989	1.0
154.02609	5.9
159.02902	4.4
164.01067	3.7
182.02098	15.3
190.99777	1.5
197.04453	86.5
198.04851	1.6
200.03163	9.0
209.00703	2.1
209.04482	1.8
210.01633	1.0
239.05524	6.3
249.07639	1.3
259.53741	1.1
263.05536	2.5
286.04861	1.4
286.08011	1.0
287.05325	1.4
295.05957	1.0
301.07211	8.3
301.10681	100.0
302.10846	2.2
305.06631	3.2
313.07333	1.5
331.08066	2.7
367.11703	1.6
391.12006	1.2
409.12842	3.1
420.74142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60689	2.6
53.03957	4.2
55.05516	5.6
58.61601	2.8
61.68441	2.7
65.03923	4.5
67.05508	19.6
69.03423	4.1
69.07072	9.4
69.14668	18.9
71.04990	6.5
79.05491	16.0
81.03416	13.9
81.07050	26.3
83.04990	6.4
83.08609	3.2
85.02876	3.2
87.04446	3.7
91.05477	36.9
93.07038	32.0
94.23102	2.7
95.04993	14.0
95.08605	22.1
97.06551	5.3
99.04345	2.5
101.73640	3.0
105.07030	53.3
107.08601	27.2
109.02894	4.0
109.06525	10.7
109.10130	14.3
111.04455	19.9
113.05991	12.8
115.05489	4.2
117.07032	11.6
119.04936	4.6
119.08578	60.9
121.06502	9.0
121.10139	25.4
123.08057	10.9
123.11768	3.9
124.03951	8.3
125.05978	5.4
127.03931	13.0
128.06219	7.7
129.06999	10.0
130.07806	4.8
131.08565	27.2
131.09471	4.3
133.06483	6.9
133.07388	3.3
133.10114	30.5
134.07286	8.0
135.08041	10.4
135.11682	4.7
137.05995	4.5
139.07568	3.6
141.06958	7.8
142.07761	8.7
143.08549	17.3
145.06514	4.7
145.10110	48.2
146.07219	3.0
147.08078	9.7
147.11662	17.8
149.09627	8.8
153.07004	3.9
154.07735	3.1
155.08546	11.4
156.09354	9.9
157.10153	28.9
158.10921	9.6
159.08040	6.9
159.11684	26.4
161.09685	6.1
161.13229	4.5
163.07510	5.3
165.09096	5.0
167.08611	7.7
168.09335	5.5
168.16660	3.3
169.06477	3.1
169.10118	22.4
170.10858	6.9
171.11673	24.5
172.12396	4.6
173.09653	11.7
173.13245	16.4
175.11205	7.9
175.14816	5.8
177.09099	8.2
177.16312	4.4
179.08560	8.2
180.09303	4.1
181.10190	14.8
182.10931	8.8
183.08022	3.3
183.11673	27.0
185.06709	3.1
185.09616	4.6
185.13242	14.8
187.07396	2.9
187.11211	9.4
187.14813	31.7
188.12016	4.0
189.09242	3.2
192.09364	4.8
193.10133	12.3
194.10945	5.1
195.11693	13.3
196.12451	6.5
197.09633	5.5
197.13234	27.9
198.14050	18.0
199.14772	4.2
201.09087	4.4
201.12740	8.8
203.10718	4.3
203.14302	26.6
205.15887	6.3
206.10963	3.4
207.11821	14.6
208.12614	3.5
209.13319	16.7
210.14066	4.1
211.11198	9.3
211.14775	15.3
213.12717	3.2
213.16162	3.9
215.10612	6.7
215.14212	15.7
219.11755	7.2
220.12474	11.1
221.13255	8.1
223.11340	3.5
223.14899	9.4
225.12814	6.0
225.16414	11.8
229.12225	3.4
231.10196	5.7
234.13928	6.4
235.11205	4.5
235.14827	11.8
237.12791	4.0
239.10736	8.6
239.14207	4.7
239.17966	9.7
249.16350	21.1
251.17987	3.8
253.12312	7.2
253.15863	12.4
255.13766	5.7
257.15268	4.5
267.14377	4.3
267.17465	18.0
269.15417	3.4
271.16919	15.3
277.15811	10.1
285.18512	17.7
289.17807	3.3
295.16925	61.2
313.17978	92.2
331.18924	20.9
349.19812	4.1
373.19992	3.4
434.70932	3.0
489.24838	100.0
490.25183	8.1
495.16956	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	549.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.3
55.01868	9.5
55.05508	10.5
57.03434	9.0
57.07064	2.7
61.02924	5.0
65.03938	2.7
67.05501	14.3
68.99776	5.7
69.03426	45.2
69.07060	12.9
71.01360	1.3
71.04984	6.1
73.02918	9.8
79.05496	10.8
81.03410	47.2
81.07051	12.9
83.01349	1.1
83.04983	2.6
83.08623	3.9
85.02900	58.7
85.06550	2.7
87.00823	31.0
87.04466	2.0
91.03950	1.6
91.05477	13.5
93.07038	18.1
95.04971	6.0
95.08597	28.7
97.02888	38.6
97.06519	1.9
97.10182	3.0
99.04444	16.8
101.02348	1.1
103.05457	1.1
105.01858	15.2
105.04556	1.2
105.07018	22.8
107.04966	2.0
107.08587	24.6
109.02872	44.0
109.06538	2.0
109.10149	13.2
109.27561	0.9
111.04435	6.9
111.08083	1.6
111.11737	2.1
112.41349	0.9
113.06036	1.3
115.05457	2.2
117.01834	2.2
117.06989	6.6
119.08571	30.8
121.06510	3.6
121.10133	16.8
123.08057	2.6
123.11702	6.1
125.06026	0.9
125.09640	5.0
127.03906	60.8
128.06238	3.3
129.01837	4.5
129.06999	7.7
130.07809	1.6
131.04915	0.9
131.08562	14.3
133.06511	3.4
133.10126	24.9
133.11163	1.5
135.08087	3.1
135.11688	10.1
137.06017	2.7
141.07001	2.8
142.07800	6.6
143.08557	17.9
144.09351	3.3
145.04947	19.9
145.06503	1.8
145.10115	20.3
147.02921	3.7
147.08046	2.6
147.11688	12.1
149.09569	1.2
149.13297	4.1
151.07564	2.4
151.11052	0.9
153.06915	1.3
153.09114	1.9
154.07825	1.4
155.08574	7.5
156.09312	8.5
157.10110	35.6
158.10860	3.2
159.02885	19.5
159.08063	3.3
159.11671	29.2
159.12932	1.7
161.09567	4.5
161.13254	13.7
163.11208	2.6
163.14809	2.2
165.07024	2.3
166.07835	1.1
167.07057	6.6
167.08594	3.6
168.09352	2.2
169.10107	13.7
170.10924	5.2
171.08090	3.2
171.11679	39.0
172.12364	2.1
173.09665	3.4
173.13237	11.7
175.11191	4.5
175.14821	5.0
177.05426	1.0
177.12737	1.4
179.08566	5.6
180.09302	2.9
181.10144	6.4
182.10915	3.9
183.11644	15.4
184.12421	2.7
185.09659	4.6
185.13246	22.2
186.14056	1.3
187.06042	1.5
187.11208	5.3
187.14757	7.6
189.09035	1.4
189.12747	5.4
189.16341	10.8
191.10725	1.6
191.14264	1.1
191.17944	3.8
193.08595	1.1
193.10164	4.6
193.11995	1.1
194.10851	5.6
195.11690	13.1
196.12474	2.2
197.13228	12.3
198.10503	1.8
198.14059	1.3
199.11241	5.3
199.14796	19.9
201.12712	5.5
201.16435	3.8
203.14349	3.0
203.17986	3.6
205.12270	4.2
205.15836	2.2
206.10970	1.1
207.11737	5.7
207.13622	1.5
208.12482	3.4
209.13240	20.1
210.13947	5.0
211.11223	1.4
211.14767	8.5
212.15494	1.0
213.03938	2.2
213.12730	11.3
213.16284	10.6
215.14313	5.5
215.17896	2.8
217.12283	3.2
219.13875	2.4
221.08812	1.2
221.13257	4.0
222.13985	5.8
223.14752	12.3
224.15500	1.1
225.13025	1.5
225.16391	13.3
227.14328	16.6
227.17899	16.8
231.04942	10.5
231.13852	3.5
235.14839	5.0
236.15564	2.3
237.16354	19.5
239.17899	8.0
240.18713	1.9
241.15950	4.5
241.19485	12.0
243.21030	1.3
245.15453	4.6
250.17166	5.4
251.18037	1.0
253.19490	1.9
255.17632	6.0
255.21053	43.9
256.21500	1.3
257.19025	1.5
259.16992	1.7
265.19501	45.0
266.19855	2.8
267.21136	1.4
273.19159	1.7
273.22055	8.8
281.18967	1.9
283.20535	100.0
283.45474	1.0
284.20975	3.7
286.04730	1.3
299.20050	1.6
301.07138	3.9
301.21588	78.7
302.21844	2.7
311.20132	1.3
319.22672	3.8
343.22842	2.1
505.27386	1.1
513.25342	1.8
517.18378	2.2
531.25891	6.2
549.20294	1.3
549.26910	32.7
550.27496	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	549.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03941	0.6
55.05495	2.7
57.07067	0.6
65.03940	0.4
67.05206	0.5
67.05502	5.4
67.36685	0.4
69.03444	0.4
69.07059	2.4
69.70392	1.1
74.08848	0.4
78.03445	8.0
79.04218	0.5
79.05484	5.6
79.05898	0.7
80.05008	4.5
81.07052	8.8
83.05002	0.5
83.08609	2.5
85.06537	0.5
91.05470	4.7
93.07039	6.9
95.04967	1.2
95.08595	9.4
96.04475	4.2
97.10149	0.5
98.22764	0.4
105.04510	0.6
105.07022	7.8
106.02909	20.8
107.08588	8.1
109.06519	0.7
109.10137	4.4
110.10497	0.4
117.06999	1.7
119.06065	0.5
119.08573	8.4
121.10130	6.7
123.11687	1.5
124.03941	100.0
125.04272	1.2
127.01572	0.9
128.06287	0.5
129.06993	1.3
130.07817	0.5
131.08553	4.9
133.10121	6.1
135.08041	1.1
135.11678	3.2
138.05521	0.5
140.40472	0.4
141.06960	0.7
142.07803	0.9
143.08542	2.2
144.09341	0.6
145.10120	6.6
147.11671	4.4
149.09598	0.8
149.13255	1.8
154.07726	0.7
155.08568	2.0
156.09317	1.1
157.10120	3.5
158.10936	0.7
159.11681	7.6
161.13223	3.0
163.11148	0.8
168.09267	0.7
169.10052	2.3
170.10936	1.0
171.11626	3.4
172.12407	0.4
173.13223	3.4
174.13855	0.5
175.14766	3.0
175.16133	0.4
177.12770	0.5
177.16368	3.2
181.09996	0.6
183.11674	2.7
185.13283	2.9
187.14806	6.7
189.16383	1.1
190.08591	0.6
195.11772	0.5
196.12488	0.6
197.13258	1.9
199.14830	3.0
201.12811	0.4
201.16335	2.0
203.14291	1.3
203.17886	0.5
205.15855	9.9
205.17674	0.7
209.13141	0.5
211.14766	2.2
213.16385	1.8
215.14337	0.8
215.17963	0.7
217.16045	0.5
225.16446	1.9
227.17932	0.5
239.17857	0.6
255.21049	0.5
257.22665	1.5
267.21066	6.4
285.22122	3.8
298.17831	0.5
362.21179	0.7
380.25781	1.7
390.24213	11.0
408.25278	23.5
409.25830	0.5
426.26468	1.3
427.28262	0.7
513.27466	0.7
514.27496	0.4
531.20526	0.8
531.28430	13.1
532.29077	0.7
549.30627	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	550.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.1
61.81086	0.4
66.03447	1.1
67.01859	7.7
68.99770	3.1
71.07957	0.7
76.99892	0.4
91.05453	0.9
92.01353	0.6
97.02879	0.6
103.05452	3.8
105.03380	0.5
105.07030	3.7
109.45023	0.4
123.00813	0.6
130.26213	0.4
131.04910	8.7
137.02310	1.5
138.01825	0.6
140.03409	7.6
140.63585	0.6
141.01820	4.3
153.01817	0.9
162.01849	3.7
162.17845	0.4
165.01826	41.3
178.01308	4.5
183.02881	26.5
183.04117	0.4
183.04591	0.5
190.01331	36.0
190.04913	3.2
208.02388	100.0
209.02724	1.1
210.12224	0.6
220.73325	0.5
225.05457	0.6
227.07039	1.6
252.06461	0.6
257.07977	0.6
266.08066	0.6
269.08057	14.0
270.07782	0.6
282.07611	4.6
294.07584	27.9
336.08762	1.4
342.02441	1.4
360.03726	0.7
446.08652	9.1
446.14413	0.9
455.03159	0.5
550.14923	91.4
551.15259	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	550.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.8
57.03429	1.9
58.99575	6.8
64.09523	1.6
65.03934	3.5
67.05500	17.6
69.03414	3.4
69.07067	11.0
70.02936	7.5
70.06551	2.3
70.50179	3.1
71.04984	5.4
74.00659	3.7
76.02251	3.0
77.78529	1.9
79.05490	19.2
81.07050	36.4
83.04967	10.9
83.08600	4.6
85.06544	5.3
86.00645	15.8
86.01105	2.7
86.99051	2.6
88.02208	33.7
88.03983	98.8
91.05464	20.6
93.07029	24.8
95.04953	5.0
95.08592	23.1
97.06512	9.2
97.10174	2.6
98.06069	1.9
99.08083	11.8
105.00080	3.8
105.07024	32.2
107.04927	3.3
107.08579	20.7
109.06516	3.6
109.10136	15.8
111.08061	3.1
114.03760	3.7
115.05445	4.4
115.07525	2.4
116.01649	2.8
116.95570	1.8
117.07018	14.0
119.08559	22.3
120.08098	2.4
121.06451	3.3
121.10155	10.8
122.02732	13.0
123.08077	3.1
123.11690	5.9
127.01505	3.0
128.06200	4.8
129.07022	12.2
130.05011	2.5
130.07785	2.7
131.08553	28.7
132.01138	25.9
133.06483	5.9
133.10110	14.8
134.02721	14.4
135.02647	5.0
135.08017	4.3
135.11665	5.2
137.04138	2.4
137.09578	1.9
141.06984	5.9
142.07742	6.6
143.08528	18.6
144.09256	2.6
145.06488	3.1
145.10109	44.5
147.02661	3.4
147.04359	2.5
147.08038	4.2
147.11710	11.8
149.04190	5.0
149.05951	2.5
149.09639	3.6
149.13228	5.3
151.05748	5.0
151.07547	2.6
154.07712	2.6
155.08549	14.7
156.09322	14.6
157.10121	27.0
158.02768	1.9
159.08073	5.2
159.11674	20.9
160.04306	8.9
161.05957	3.1
161.09590	4.6
161.13248	4.9
163.05888	2.2
163.07558	4.8
163.11145	2.1
165.07051	2.2
167.08521	3.8
168.09254	2.9
169.10130	19.3
170.10843	2.4
171.07968	3.5
171.11682	36.4
171.13065	3.4
173.09575	6.0
173.13206	15.7
175.05751	2.3
175.11223	2.8
175.14841	3.3
181.03186	2.1
181.10051	4.3
182.10855	3.8
183.11711	17.3
185.09727	2.4
185.13235	12.2
187.07449	2.3
187.11182	5.6
187.14755	2.6
189.12659	2.1
193.10191	2.5
193.15881	2.1
194.10921	2.5
195.11638	7.8
197.09595	2.2
197.13278	8.4
199.11215	5.4
199.14778	7.3
201.07301	1.9
201.09123	2.9
201.12698	4.8
203.08878	2.0
207.11757	2.6
209.13243	8.5
211.14816	8.2
213.12778	3.9
215.10713	5.5
217.10268	1.7
217.12183	4.9
220.60782	1.9
221.13292	3.2
223.14847	4.8
225.16331	8.2
227.17859	4.3
241.19507	3.2
251.18045	4.9
253.19482	5.5
269.18988	8.3
271.20584	6.3
277.18127	3.7
285.18521	2.1
287.20013	5.3
289.21588	5.3
297.18497	7.0
303.04962	5.4
303.17572	8.2
305.20981	7.5
315.19534	13.0
317.21207	1.9
321.18896	6.7
331.17230	5.7
333.20520	10.3
347.16638	2.2
349.18408	5.1
362.21329	2.0
365.17624	3.5
367.19336	7.9
372.19913	4.4
372.85672	2.1
390.20956	7.4
400.19501	1.9
408.21936	30.1
410.23306	7.2
418.20587	8.6
419.18661	2.3
426.23071	19.3
427.21365	2.9
436.21448	17.6
437.20370	4.3
454.22543	100.0
455.22241	6.0
472.23587	66.4
472.30457	2.2
473.23834	3.3
490.24725	28.0
503.32913	1.9
514.24628	20.2
532.25653	36.7
533.24493	4.6
550.26776	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44838	1.4
53.22969	1.3
55.05297	1.4
55.05505	17.1
56.10325	1.7
57.02442	1.6
57.03437	1.9
59.04985	1.3
65.03925	2.5
67.05497	29.0
69.03423	4.6
69.07066	2.8
69.13280	9.8
71.04974	6.1
71.38481	1.3
75.02470	1.3
75.80611	1.6
79.05473	5.6
81.07047	21.9
83.04972	28.7
85.02872	1.6
91.05471	14.0
93.07014	14.6
95.04973	13.9
95.08595	7.8
97.02875	20.5
97.06500	4.8
98.22715	3.8
101.06017	5.3
103.05466	1.9
105.07015	13.3
107.04935	1.7
107.08575	9.0
109.06483	6.1
109.10173	4.1
111.04414	5.6
111.08034	3.2
113.05999	4.7
115.05394	2.0
117.06980	6.4
119.08568	76.3
121.06498	3.0
121.10116	3.8
123.04411	4.1
123.07977	1.6
124.03945	16.2
128.06236	3.2
129.06963	5.5
130.07773	1.8
131.08545	14.2
133.06462	1.9
133.10117	12.8
135.08037	6.3
137.05984	2.5
137.09584	4.7
139.07536	4.9
141.05446	17.0
141.06995	2.7
142.07750	6.6
143.08572	11.4
144.09419	2.0
145.10106	14.7
146.10693	1.4
147.08032	3.5
147.11702	2.7
149.09615	4.6
153.06873	1.3
154.07791	1.5
155.07014	28.2
155.08524	10.6
156.09344	7.2
157.10123	21.9
158.10889	3.1
159.08047	3.5
159.11668	23.7
161.09564	5.7
161.62936	1.4
165.07085	2.1
165.09070	2.0
166.07785	1.4
167.08586	5.2
168.09261	2.0
169.10120	17.6
170.10855	7.1
171.11664	23.2
172.45035	1.4
173.09599	4.9
173.13220	23.4
175.11157	2.3
177.09033	3.1
178.07718	1.6
179.08592	5.1
180.09381	2.2
181.08620	3.5
181.10095	5.6
182.10829	4.4
183.11639	20.1
184.12419	4.7
185.09641	7.8
185.13225	10.6
186.10446	2.4
187.11143	4.3
187.14835	2.5
192.09424	3.7
193.10060	8.8
193.11646	1.5
194.10860	6.6
195.11655	12.7
196.12428	3.2
197.09666	1.5
197.13231	33.5
198.47391	1.4
199.11095	1.9
199.14769	3.0
201.12688	11.2
203.14314	3.6
205.10141	5.6
206.10887	3.5
207.11652	12.5
208.12459	2.4
209.13190	19.2
210.14026	1.5
211.11259	3.4
211.14771	15.1
215.10634	1.8
215.14279	3.4
219.11659	5.8
219.13640	1.6
220.12450	27.7
221.13231	8.0
223.14796	8.1
225.12830	2.8
225.16359	12.3
234.13971	6.1
235.14786	44.3
236.15346	1.7
239.17920	5.4
249.16327	14.6
251.14270	2.5
253.15829	14.3
255.13791	5.0
267.17392	8.0
269.15271	3.7
271.16910	10.7
277.15738	8.2
280.14554	3.8
285.18399	3.9
295.16891	26.6
303.19388	3.0
313.17935	100.0
314.18286	3.6
331.18985	28.7
349.20065	3.8
373.19888	3.9
550.30310	17.0
551.22272	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	550.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26342	0.6
53.01794	0.7
55.05497	1.7
56.05023	2.0
58.06592	1.1
60.08157	17.9
67.05501	1.6
69.07056	1.3
71.07371	8.2
79.05477	0.9
79.29079	0.7
81.07050	1.8
83.08605	1.3
83.18800	0.7
86.09697	48.8
95.08609	1.1
98.98468	4.6
104.10734	94.7
109.27765	0.7
124.99992	31.1
131.04907	1.4
136.40475	0.6
143.01086	0.7
184.07326	100.0
190.05031	2.7
203.26514	0.7
258.10983	1.0
284.39023	0.8
294.11292	1.8
430.01865	0.7
446.02792	0.7
469.86133	0.8
493.22794	0.9
532.29333	1.2
532.37366	6.9
550.07831	1.0
550.38605	30.8
551.38867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1031
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03935	0.4
55.01863	0.4
55.76820	0.1
57.03421	0.3
61.02893	0.1
65.38446	0.1
68.99792	0.3
69.03419	1.0
69.66383	0.2
71.04976	0.2
73.02908	0.2
81.03415	1.4
83.01299	0.1
85.02898	1.9
86.30546	0.1
87.00826	0.8
87.04460	0.2
89.03915	0.2
91.03924	0.2
95.01297	0.6
97.02898	0.7
98.22719	0.1
99.04433	0.4
105.01852	0.4
105.07029	0.3
109.02873	1.0
117.03384	0.2
123.00777	3.4
127.03922	1.3
135.04396	2.9
137.02330	0.8
137.06000	0.2
141.01830	0.5
145.04935	0.3
147.04439	0.2
151.00252	0.2
155.04846	0.1
159.02881	0.5
161.02299	0.1
169.01317	2.3
173.05992	0.3
183.04446	0.1
201.05464	0.3
211.04004	0.2
229.05017	0.2
231.04993	0.2
257.04462	0.8
261.03961	0.3
285.03940	2.2
302.04144	0.2
303.04950	100.0
304.05298	2.3
446.58334	0.1
491.28604	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	551.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.2
57.03418	0.2
60.53516	0.1
64.94598	0.1
68.99783	0.3
69.03439	0.6
69.30999	0.4
69.31410	0.3
79.05470	0.5
81.03384	0.5
85.02894	0.9
87.00797	0.2
95.01324	0.2
95.04954	0.3
97.02891	0.2
99.04430	0.2
105.01861	0.1
105.04580	0.2
107.04951	4.8
107.05678	0.2
109.02869	0.4
123.00783	0.5
127.03876	0.8
135.04401	2.2
137.02313	0.7
141.01778	0.2
145.04979	0.2
147.85091	0.1
159.02885	0.2
169.01314	27.6
170.01675	0.3
213.85184	0.2
231.05003	0.2
257.04398	0.3
261.03983	0.3
285.04083	0.2
301.03549	0.1
302.04404	0.1
303.04962	100.0
304.05301	3.3
345.05664	0.2
465.10571	0.3
507.11148	0.3
551.10297	5.0
552.10803	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	551.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01854	1.5
57.03429	1.0
61.02907	1.4
63.98965	0.4
68.99790	0.7
69.03417	4.4
69.36475	2.0
71.01364	0.5
71.04974	1.0
73.02908	1.3
81.03405	4.7
84.02093	1.0
85.02901	10.7
87.00813	3.8
91.05463	1.5
95.01327	0.4
95.04989	0.5
97.02882	4.1
99.00819	0.8
99.04440	2.0
105.01860	2.9
107.04935	1.2
109.02858	5.1
112.01567	1.6
113.11768	0.3
117.01846	0.4
119.04940	3.7
121.02873	0.7
121.06544	0.4
123.04371	0.8
127.00241	1.0
127.03037	0.5
127.03907	7.4
129.01788	0.7
137.02388	0.7
140.00998	2.5
145.04947	3.1
147.03130	0.6
147.04385	13.1
151.03827	0.4
155.03432	0.9
159.02902	4.1
164.26511	0.4
168.00526	30.3
169.01167	0.8
175.62794	0.4
182.02060	0.5
183.02872	100.0
184.03232	0.9
186.01581	16.9
195.02940	0.6
201.03926	11.7
207.02846	0.7
213.03871	0.5
221.04443	1.1
225.03905	7.3
231.04961	0.6
245.04370	1.0
249.03819	2.5
261.07605	0.7
263.05365	0.5
270.05112	0.5
273.04004	1.1
273.14893	0.5
285.07516	0.9
291.04919	2.3
295.40994	0.4
303.08591	91.7
304.08960	2.9
327.08585	0.8
345.09570	1.0
369.09378	1.2
393.09476	0.5
397.97784	0.4
411.10583	2.0
413.07007	0.7
473.17786	0.6
491.19525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01854	1.5
57.03429	1.0
61.02907	1.4
63.98965	0.4
68.99790	0.7
69.03417	4.4
69.36475	2.0
71.01364	0.5
71.04974	1.0
73.02908	1.3
81.03405	4.7
84.02093	1.0
85.02901	10.7
87.00813	3.8
91.05463	1.5
95.01327	0.4
95.04989	0.5
97.02882	4.1
99.00819	0.8
99.04440	2.0
105.01860	2.9
107.04935	1.2
109.02858	5.1
112.01567	1.6
113.11768	0.3
117.01846	0.4
119.04940	3.7
121.02873	0.7
121.06544	0.4
123.04371	0.8
127.00241	1.0
127.03037	0.5
127.03907	7.4
129.01788	0.7
137.02388	0.7
140.00998	2.5
145.04947	3.1
147.03130	0.6
147.04385	13.1
151.03827	0.4
155.03432	0.9
159.02902	4.1
164.26511	0.4
168.00526	30.3
169.01167	0.8
175.62794	0.4
182.02060	0.5
183.02872	100.0
184.03232	0.9
186.01581	16.9
195.02940	0.6
201.03926	11.7
207.02846	0.7
213.03871	0.5
221.04443	1.1
225.03905	7.3
231.04961	0.6
245.04370	1.0
249.03819	2.5
261.07605	0.7
263.05365	0.5
270.05112	0.5
273.04004	1.1
273.14893	0.5
285.07516	0.9
291.04919	2.3
295.40994	0.4
303.08591	91.7
304.08960	2.9
327.08585	0.8
345.09570	1.0
369.09378	1.2
393.09476	0.5
397.97784	0.4
411.10583	2.0
413.07007	0.7
473.17786	0.6
491.19525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02419	0.3
53.04000	0.4
61.01185	0.6
61.61505	0.3
69.03473	0.5
69.73109	0.9
72.41088	0.3
79.05547	0.5
81.03082	0.3
81.03490	1.2
81.07110	0.5
89.00696	1.0
91.05536	0.7
93.07108	0.9
95.01196	0.4
95.05043	0.6
95.08679	0.4
105.07086	0.7
107.08660	0.6
109.06589	0.3
111.00640	0.3
117.07127	0.4
119.08672	1.1
121.06638	0.3
128.22818	0.3
128.58916	0.3
129.07024	0.4
131.08620	0.7
133.10194	0.5
138.01262	0.3
143.08632	0.7
143.98547	1.8
145.10219	0.7
157.10237	0.5
159.07980	0.8
159.11758	0.4
161.13359	0.8
183.11784	0.4
191.47325	0.3
209.02582	0.4
219.02393	0.3
226.02762	0.6
227.03474	10.7
227.14531	0.3
255.13866	0.6
257.06219	0.5
268.51886	0.3
269.11465	2.2
273.15118	0.4
311.16309	0.7
313.14011	2.4
383.12796	3.5
385.14471	0.6
427.15689	1.5
430.54562	0.3
455.14963	0.8
461.68896	0.3
473.16034	100.0
474.16458	3.8
491.17117	3.1
524.75214	0.3
533.18073	1.0
551.19159	11.9
552.19446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2043
Annotation	obochalcolactone
Peak:m/z	Relative Intensity
54.19579	0.6
59.04985	0.8
63.33422	0.6
67.05482	1.1
69.07038	0.8
69.76293	1.6
73.06582	1.0
75.70520	0.6
78.73272	0.6
79.05479	1.6
81.07056	0.8
87.04455	4.4
88.57823	0.7
89.06026	2.8
91.05479	0.7
93.07027	1.2
95.04964	1.5
101.35268	0.7
103.05444	0.7
105.07021	19.5
106.07316	0.8
121.06492	1.4
124.03951	1.6
127.01530	1.0
131.08546	1.5
133.08607	1.2
145.68684	0.7
147.08022	1.6
149.09535	0.7
150.55585	0.8
162.73018	0.6
197.13165	0.7
212.15245	0.6
225.12744	1.2
271.55331	0.8
313.17935	1.5
365.18323	0.7
373.15424	0.7
551.20355	100.0
552.20813	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	551.2829
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
59.68941	0.3
60.04902	0.3
61.83626	0.3
69.33212	1.2
69.33630	0.5
80.29579	0.3
89.06030	0.7
105.07036	1.0
114.36352	0.3
133.08611	0.5
133.48578	0.4
167.95316	0.4
184.50465	0.3
331.10092	0.6
389.23099	1.9
396.39658	0.4
551.28241	100.0
552.28546	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	551.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
55.01866	6.4
55.05498	12.8
57.03437	7.6
57.07064	3.0
61.02923	8.8
67.05504	19.1
68.99799	11.2
69.03430	42.6
69.07063	8.7
69.77547	8.1
71.04987	7.5
73.02908	3.8
79.05486	18.6
81.03418	36.3
81.07056	36.7
83.04986	10.4
83.08606	4.2
85.02901	61.8
85.06522	3.6
86.09695	3.0
87.00829	23.1
87.04465	6.6
91.05461	19.5
93.07046	31.8
95.04970	6.5
95.08611	39.7
97.02877	18.1
97.06525	8.4
97.10158	2.8
99.04454	10.7
99.88520	2.3
103.05502	2.4
103.96473	2.2
105.01864	19.3
105.07030	43.2
107.08591	37.2
109.02859	32.4
109.06510	2.7
109.10157	26.1
111.04459	5.6
111.08069	2.8
116.81761	2.5
117.06970	6.3
119.04948	3.3
119.08567	34.0
121.06491	3.7
121.10142	29.2
123.00790	3.0
123.08054	4.9
123.11703	12.3
125.06077	2.5
125.09675	3.6
127.03910	62.1
129.01833	7.9
129.05493	3.1
129.06982	5.4
131.08568	16.6
133.10126	35.6
135.04417	4.9
135.11702	16.8
137.06017	2.4
137.09641	2.7
137.13226	3.1
141.06964	2.5
142.07677	2.5
143.08578	11.1
144.09323	4.3
145.04944	9.3
145.10117	28.1
147.02904	6.7
147.04445	3.1
147.11694	22.1
149.13206	7.2
151.11168	3.7
155.08521	4.9
156.09326	5.2
157.10091	20.4
159.02917	8.0
159.11688	30.3
161.09651	4.2
161.13248	19.8
163.14795	5.6
167.08531	3.6
169.01321	5.2
169.10104	11.3
170.10818	2.8
171.11702	15.1
173.13237	30.7
175.14854	7.5
181.10155	3.3
182.08150	3.5
183.02885	4.4
183.11664	12.7
184.12407	2.9
185.13278	19.0
187.14793	20.9
188.15611	8.0
189.16368	9.7
195.11699	3.1
197.13275	15.0
198.10410	2.7
199.14798	17.7
201.16345	16.1
203.14215	3.7
211.14790	13.0
213.04005	3.8
213.16449	13.4
215.14351	3.4
215.17986	7.4
217.15923	3.6
219.02895	10.0
223.14896	3.2
225.16396	9.3
227.18013	6.2
229.15810	4.6
229.19437	2.5
231.05043	6.9
233.18979	3.7
240.96739	2.5
255.21149	8.0
257.22580	8.9
265.19601	3.1
267.21094	34.2
269.22693	6.8
283.20493	10.9
285.22110	72.8
301.21533	5.1
303.05002	100.0
303.08328	4.9
303.23221	26.0
304.05267	3.1
374.19650	3.2
393.24048	2.5
489.28067	2.7
498.55109	2.7
515.26355	4.6
531.36548	2.9
533.27460	28.7
551.28412	11.2
555.06812	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	551.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.05496	0.9
57.07069	1.2
67.05502	2.9
69.07063	1.5
73.02880	0.7
78.03438	2.1
79.05485	4.2
80.04995	2.9
80.46795	0.4
81.07050	6.2
83.93990	0.4
87.04462	6.4
89.06020	1.3
91.05468	3.9
93.07043	5.5
95.04970	0.9
95.08592	6.2
96.04494	3.3
100.11222	0.6
105.04574	0.6
105.07021	5.9
106.02908	5.1
107.08587	5.8
109.10166	3.5
111.11705	0.5
117.06972	0.8
119.08565	5.5
121.10149	5.4
123.11719	0.6
124.03941	100.0
125.04272	1.2
129.07008	0.7
131.08575	2.4
133.08583	1.1
133.10065	2.9
135.11679	3.4
143.08556	1.2
145.10104	2.9
147.11694	3.9
149.13329	0.5
152.73158	0.4
152.74419	0.4
157.10143	1.2
159.11682	2.0
161.13234	2.1
171.11685	0.9
173.13245	1.8
175.14848	1.5
177.11232	0.5
185.13286	0.7
187.14844	1.3
189.16357	1.6
190.08650	0.7
199.14775	1.0
201.16379	0.9
213.16405	1.5
227.17993	1.4
269.22559	3.5
312.19241	0.6
319.40347	0.5
326.20938	0.5
334.62189	0.5
392.25867	4.8
410.26685	2.6
428.28052	0.6
468.19620	0.5
515.29108	4.9
533.29932	6.2
534.29572	0.5
541.43634	0.5
551.30243	2.1
570.93951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3552
Annotation	Leu Lys Tyr Lys
Peak:m/z	Relative Intensity
51.02383	0.4
53.03949	0.7
55.05510	0.3
55.48733	0.2
57.07067	0.4
59.04992	0.4
65.03922	0.4
67.05500	1.0
68.02416	0.3
69.03424	0.3
69.07062	0.7
71.05015	0.7
71.42598	0.2
77.03912	0.6
79.05487	1.8
81.03425	0.5
81.07056	1.9
83.01095	1.4
83.08621	0.3
85.06532	0.4
87.04440	0.4
89.06023	0.5
91.05466	4.9
93.07043	3.3
95.04964	3.3
95.08604	2.3
97.06519	0.6
103.05446	0.6
105.03385	15.6
105.04520	1.0
105.07022	5.1
107.04951	0.4
107.07908	0.5
107.08583	3.7
109.06518	1.3
109.10156	1.1
111.04188	3.6
112.04971	0.5
115.05447	0.4
117.06994	1.7
117.53252	0.3
117.54092	0.3
119.08570	6.1
121.06507	0.6
121.10136	1.9
123.08070	1.1
123.11764	0.3
124.04015	0.7
125.05952	0.3
127.03671	3.3
128.06230	0.5
129.07010	0.9
131.08536	1.9
133.06496	0.4
133.10147	2.5
135.08046	1.3
135.11690	0.5
137.06013	0.6
137.09612	0.8
139.07480	0.4
141.05234	0.6
141.06967	0.6
142.06068	0.4
142.07808	0.9
143.08565	2.0
145.06485	0.5
145.10100	2.0
147.08061	0.6
147.11685	1.6
149.09616	1.0
151.07539	0.4
155.06816	1.9
155.08540	1.1
156.07594	1.3
156.09377	0.8
157.10123	1.9
158.10890	0.6
159.08054	0.4
159.11678	2.1
161.09628	0.8
161.13225	0.5
163.07549	0.9
163.11183	0.4
165.09018	0.4
167.08575	0.4
169.10124	1.5
170.10939	0.5
171.06285	2.3
171.07843	0.4
171.11679	1.4
172.12399	0.6
173.09705	0.4
173.13283	1.0
175.11235	1.0
176.11967	0.7
177.09164	0.7
177.12790	0.7
181.10100	0.7
183.10147	0.3
183.11612	1.3
185.07799	0.5
185.09598	0.3
185.13232	0.8
186.08681	1.0
186.92757	0.3
187.11104	0.3
187.14793	0.5
188.06621	0.4
189.09219	0.3
191.10773	0.3
193.10152	0.3
194.10878	0.3
195.11650	0.4
196.12296	0.3
197.09651	0.4
197.13277	1.0
198.14073	0.3
199.09387	2.9
199.10791	0.3
200.10057	0.3
201.09103	0.4
201.12764	0.3
201.16451	0.4
203.14261	0.5
206.37051	0.3
207.11755	0.7
209.13292	1.0
211.11302	0.4
211.14851	1.1
215.08955	1.5
215.10771	0.4
219.13834	0.7
225.12643	0.3
225.16415	0.5
226.48291	0.3
227.12534	0.3
235.14972	0.5
236.15495	0.3
237.16533	0.3
239.10597	0.3
241.12239	0.4
243.12120	0.5
245.35692	0.3
249.16438	0.5
253.15926	0.9
257.15424	1.0
259.11746	0.4
267.17429	0.5
269.15323	0.4
271.17075	2.4
287.14728	1.9
289.18008	0.8
295.16815	2.7
299.50150	0.3
303.14206	1.0
313.17944	3.1
331.19092	0.8
387.21768	0.7
425.21371	1.3
465.24585	3.3
551.35492	100.0
552.35870	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	552.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12216	0.3
69.08073	1.6
69.08485	0.7
71.05022	0.3
74.81058	0.3
77.32415	0.3
81.07045	0.4
91.05458	0.3
93.07043	0.4
97.02883	0.3
98.23499	0.6
100.13757	0.3
102.03208	0.5
105.07018	0.7
107.08573	0.3
109.97128	0.3
119.08604	0.9
121.10155	0.4
124.03967	1.3
131.08589	0.3
133.10147	0.3
139.00061	0.5
143.08501	0.5
145.10051	0.5
146.02112	2.8
156.09370	0.4
157.10072	0.5
159.11685	0.6
171.11655	0.6
181.10181	0.5
183.11617	0.4
185.13382	0.3
187.14738	0.4
196.12422	0.4
197.13303	0.4
209.13118	0.4
211.14853	0.9
223.14880	0.4
234.65952	0.3
251.14389	0.5
264.51169	0.4
325.17871	1.7
351.15408	0.4
369.16888	1.3
375.63983	0.3
385.19839	0.5
429.18787	7.7
429.29428	0.6
487.41287	0.4
552.21973	100.0
553.22327	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
54.96611	0.1
55.05499	0.1
57.36721	0.1
60.46436	0.1
67.05486	0.5
68.05061	0.1
68.06186	0.1
69.07047	0.1
69.97238	0.3
71.04988	0.2
78.03455	1.3
79.04220	0.2
79.05484	0.1
80.04540	0.2
80.05013	4.6
81.07053	0.4
89.57887	0.1
91.05465	0.4
93.07042	0.5
95.04977	0.3
95.08619	0.3
96.04491	3.7
97.02895	0.3
105.07005	0.6
106.02911	1.2
107.08578	0.4
109.06532	0.2
111.04428	0.2
119.08585	1.5
121.10153	0.2
124.03947	100.0
125.04281	1.0
129.89319	0.1
131.08594	0.2
133.06519	0.1
133.10098	0.6
137.05992	0.1
141.05466	0.2
141.06944	0.2
142.07770	0.3
143.08551	0.3
145.10132	0.4
147.11687	0.9
155.07027	0.4
155.08441	0.2
156.09349	0.2
157.10167	0.6
158.10913	0.3
159.11678	0.4
161.09586	0.3
161.13235	0.2
165.07056	0.1
169.10126	0.4
170.06940	0.1
170.10913	0.2
171.11700	0.5
172.12473	0.1
173.13272	0.4
175.11096	0.1
176.12007	0.4
179.08438	0.1
181.10199	0.2
183.11710	0.4
185.09610	0.2
185.13234	0.2
187.10991	0.1
187.14845	0.1
193.10162	0.2
195.11696	0.3
197.13197	0.6
201.12770	0.2
203.14310	0.3
206.11003	0.2
207.11772	0.2
208.12695	0.1
209.13290	0.3
211.14832	0.4
219.11769	0.1
220.12498	0.5
223.14807	0.3
225.16461	0.2
234.13898	0.1
235.14806	0.5
239.10541	0.2
241.12378	0.1
249.16484	0.4
251.18094	0.2
253.12270	0.2
253.15793	0.4
255.13890	0.1
258.89218	0.1
264.66812	0.1
267.17456	0.3
267.58090	0.1
271.16925	0.7
277.15845	0.1
285.18271	0.1
295.16916	1.7
298.95432	0.1
313.14377	0.1
313.17969	2.7
313.21417	0.2
331.18881	0.1
361.21497	0.1
371.81799	0.1
552.25897	13.3
553.26514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05493	1.3
65.03919	0.7
67.05496	2.7
68.04971	0.6
69.07052	1.3
69.56873	2.1
78.02215	0.6
78.03462	4.1
79.05479	2.8
80.05017	5.5
81.03399	1.2
81.07048	2.2
82.08625	0.6
91.05466	5.6
93.07032	5.9
95.04973	2.5
95.08616	3.7
96.04484	5.0
97.06505	0.6
98.22747	1.2
105.07015	9.2
106.02917	11.9
107.08581	4.7
109.02905	0.8
109.06512	2.2
109.10139	0.9
111.04431	0.7
117.07008	2.1
119.06870	0.6
119.08580	13.6
121.06470	1.5
121.10139	2.1
123.08059	1.2
124.03942	100.0
125.04267	1.6
128.06169	1.6
129.07014	1.9
130.07755	0.8
131.08597	3.3
133.06470	0.8
133.10110	6.0
135.08049	1.5
135.11641	0.8
137.02335	1.1
137.06018	0.8
141.06940	1.9
142.07753	1.9
143.08559	6.8
145.10086	5.0
147.08040	1.2
147.11670	14.1
149.06070	0.8
151.07529	1.2
153.07053	0.8
155.08536	3.8
156.09332	3.0
157.10098	8.3
158.10948	3.5
159.11650	3.6
161.09625	3.9
161.13255	3.7
163.07538	1.2
163.11258	0.9
167.07120	0.8
167.08522	1.7
168.09273	1.4
169.10132	5.2
170.10922	2.0
171.11664	4.1
172.12474	4.8
173.09473	0.7
173.13271	1.8
175.07629	0.9
175.11113	1.5
176.11916	3.9
176.15610	2.2
179.08519	0.9
180.09402	0.9
181.10121	2.1
182.10883	1.1
183.08163	0.8
183.11653	5.1
185.09590	1.0
185.13297	2.9
187.07526	0.9
187.11183	1.1
187.14784	1.3
190.13330	1.0
192.09286	1.0
193.10083	2.3
194.10922	1.5
195.11615	3.2
196.12263	1.1
197.09590	1.0
197.13275	3.3
199.14827	0.7
201.09084	0.8
203.14275	3.3
206.10867	1.0
207.11716	2.7
209.13248	4.3
211.11115	1.6
211.14801	1.9
213.08925	0.9
214.07616	0.7
215.10680	1.3
215.14334	1.2
219.11763	0.9
220.12341	1.3
220.17664	0.7
221.13240	2.9
223.14822	1.6
225.16379	2.2
234.14009	1.3
235.11127	0.8
235.14780	1.3
236.15451	1.6
239.17929	0.8
241.12202	1.6
249.16386	2.9
251.17996	1.8
253.12231	1.6
253.15886	2.0
255.13812	1.2
267.13873	1.0
267.17450	2.5
269.15335	0.9
271.16916	7.8
273.72913	0.6
277.16068	1.1
285.18481	1.2
295.16888	17.2
296.17206	0.7
313.17953	14.7
314.17941	1.1
331.18927	0.9
436.21112	2.2
552.25677	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	552.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.05510	1.1
57.07070	2.0
58.04205	1.0
67.05504	3.8
68.99810	0.6
69.03424	2.2
69.07060	2.6
70.67381	1.3
73.02907	1.7
79.05492	7.5
81.03416	1.2
81.07055	100.0
82.07382	1.0
85.02904	5.3
87.00827	16.7
87.04451	2.8
89.06026	5.5
93.07026	1.4
95.05012	0.8
95.08606	15.9
97.02890	58.9
98.03243	0.9
105.01870	8.3
107.08661	0.8
109.10155	0.5
115.03944	1.5
127.03913	0.7
133.08617	2.5
137.13251	18.9
161.79930	0.6
177.11237	1.2
201.03932	28.8
209.59500	0.6
219.05002	9.8
236.07651	1.2
345.08194	7.8
363.09265	2.2
405.18326	0.8
493.55859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05515	1.0
57.03432	0.4
57.07076	1.1
59.04995	0.2
61.02905	0.2
61.79422	0.2
65.03932	0.5
66.04740	0.2
67.05501	3.8
69.03419	2.0
69.07059	2.8
71.04981	0.2
71.08624	0.2
71.26361	0.1
71.41657	0.2
73.02917	0.7
73.52738	0.2
75.04469	0.2
79.05489	9.6
81.03426	0.9
81.07050	100.0
82.07394	1.0
83.04991	0.3
85.02898	5.1
87.00822	17.0
87.04458	2.3
89.06014	1.3
91.05462	0.3
93.07027	0.7
95.04992	0.5
95.08598	15.3
95.12519	0.2
95.13203	0.2
96.08933	0.2
97.02885	60.1
98.03220	0.7
99.04461	0.2
105.01859	9.5
105.04511	0.2
105.06990	0.2
107.04949	0.2
107.08575	0.4
109.02878	0.4
109.10125	1.2
115.03916	1.9
119.08589	0.2
121.06480	0.2
121.10107	0.2
127.03909	0.5
133.04974	0.3
133.08566	0.8
135.11697	0.3
137.13243	19.1
138.13612	0.4
139.03882	0.3
143.03363	0.5
145.04956	0.4
149.13319	0.2
151.03935	0.4
154.15881	0.5
157.04935	0.4
183.02863	0.4
184.07333	0.3
199.12466	0.2
201.03925	26.4
202.04340	0.3
219.04974	9.2
221.13850	0.2
225.04047	0.2
227.25648	0.2
236.07620	1.0
280.06876	0.2
319.10196	0.4
327.07037	0.3
345.08109	8.3
346.08475	0.3
363.09207	3.1
385.00421	0.2
431.28394	0.2
474.15884	0.2
552.21118	0.3
553.25830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22348	0.2
56.05025	0.9
57.05804	0.4
58.06589	0.3
68.05013	0.3
69.07066	9.1
69.17510	1.3
70.06591	2.5
75.05602	2.0
76.25434	0.2
81.04544	0.4
81.07063	0.3
82.05322	0.4
83.06101	4.0
86.06073	3.7
86.09705	100.0
87.10041	0.9
93.04517	2.3
95.06073	2.7
95.35294	0.2
101.07126	0.2
105.07050	0.5
106.07387	0.4
110.07162	62.6
111.05577	0.3
111.07521	0.4
112.08724	0.3
114.05524	9.2
116.69975	0.2
125.07162	0.2
125.10800	0.2
127.03908	0.2
132.06560	0.3
134.06902	0.2
138.05521	1.9
143.11794	9.3
153.06572	0.3
156.07678	68.6
157.08063	0.5
161.05960	0.6
162.06395	0.3
166.06149	1.4
171.07660	3.1
171.11348	0.2
178.13394	0.5
183.14917	0.3
191.07010	0.4
193.08664	0.2
194.21349	0.2
207.16124	0.3
223.15611	0.8
229.11845	1.4
234.12280	0.3
238.15469	0.8
246.77338	0.2
251.15047	2.5
256.16559	8.5
269.16074	17.2
284.16031	21.8
285.16403	0.6
369.25110	0.5
379.23508	0.2
382.24414	0.5
397.24435	3.3
439.26669	1.7
456.22507	0.3
506.30521	0.2
534.29846	1.2
552.31384	26.5
553.15088	0.3
553.31818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02732	2.5
52.52816	2.7
53.62523	2.2
78.03439	3.6
80.04991	3.3
85.98971	2.5
91.05452	4.6
94.64916	2.6
95.04925	3.7
105.07009	11.1
117.06976	3.4
119.08517	4.5
124.03938	100.0
131.08641	2.6
132.10201	11.7
147.08083	3.3
219.20811	2.7
228.44240	3.0
243.72455	2.8
291.64142	3.1
310.55640	2.7
313.17859	5.8
521.98401	3.5
552.32141	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21316	0.9
53.03931	1.4
55.05507	2.1
57.03433	2.4
57.07081	4.8
64.06894	0.9
65.03934	2.1
67.05497	19.6
69.03426	2.7
69.07064	1.8
69.21414	5.7
71.04967	6.8
76.10708	1.0
78.03435	1.7
79.05459	4.7
79.88344	1.0
80.05000	3.6
81.07048	12.5
83.04974	2.1
83.08614	1.3
85.02892	1.5
85.06511	1.4
91.05463	7.1
93.07038	7.8
95.04958	8.3
95.08595	3.6
96.04486	4.1
97.02877	11.2
97.06548	1.4
100.95042	1.0
105.07024	9.6
107.08598	5.2
109.06493	4.9
109.10159	1.6
111.04440	3.7
111.08072	3.3
113.05993	3.5
115.05394	1.3
117.07021	5.2
119.08567	55.2
120.08899	1.1
121.06464	1.8
121.10115	1.9
123.04427	2.4
124.03938	100.0
128.06187	1.9
129.07018	2.9
129.94049	1.1
130.07779	1.1
131.08542	9.9
133.10112	8.8
135.08054	1.9
137.05972	2.3
137.09590	1.8
139.07542	1.8
141.05460	14.1
141.06865	1.6
142.07745	3.4
143.08554	7.9
144.09323	1.5
145.06406	1.4
145.10088	7.4
147.08029	2.1
147.11685	1.5
149.09581	1.6
153.09155	1.2
155.07019	23.4
155.08501	5.1
156.09349	3.3
157.10100	13.6
158.10818	1.3
159.08025	2.1
159.11676	16.1
161.09605	3.6
162.11227	0.9
163.11121	1.5
165.09142	1.8
166.07887	1.3
167.08595	2.4
168.09357	1.4
169.10126	11.9
170.10925	5.3
171.11664	13.2
173.09605	1.8
173.13240	14.8
175.11215	2.6
177.09087	1.4
179.08478	2.5
179.53754	1.0
180.09299	2.3
181.10089	4.0
182.10912	2.6
183.11674	11.8
184.12405	2.7
185.09584	6.2
185.13205	8.1
187.11183	1.7
187.14818	1.4
193.10080	4.3
194.10942	2.7
195.11710	7.3
196.12466	2.6
197.09496	1.3
197.13237	20.6
198.13847	1.6
199.11101	1.4
199.14899	1.0
201.12682	5.9
201.56407	1.0
203.14304	2.0
205.10107	2.2
206.10869	2.9
207.11688	3.9
209.13246	9.1
211.11194	2.7
211.14772	10.9
212.06717	1.1
213.12720	1.2
219.11636	2.7
220.12425	17.2
221.13196	5.4
223.11102	1.8
223.14760	6.4
225.12689	1.5
225.16376	12.5
234.13948	2.9
235.14783	34.0
236.15425	1.9
237.12598	1.0
238.13445	1.3
239.14339	1.5
239.17978	2.1
249.16315	8.7
251.14291	1.6
253.15848	13.3
255.13805	4.3
262.13306	1.4
267.17410	6.4
271.16928	10.0
271.54883	1.0
272.24976	1.2
277.15918	6.0
280.14569	2.4
285.18542	3.3
295.16904	22.0
296.17172	1.6
303.19449	1.2
313.17923	86.0
314.18127	3.6
331.19028	11.6
545.58258	0.9
552.24426	11.5
552.31720	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	552.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.9
65.03932	1.8
67.05499	20.7
69.03426	4.0
69.07061	1.4
69.88972	1.0
69.89317	3.1
71.05003	8.9
71.43111	0.8
77.75867	0.8
79.05477	4.6
81.07054	14.7
83.04972	2.7
83.08632	1.0
84.50860	0.8
85.06533	1.0
91.05476	7.4
93.07045	8.1
95.04958	8.6
95.08595	5.9
97.02887	14.2
97.06529	3.5
103.05464	1.1
105.07015	12.0
107.08581	5.6
109.06518	3.2
109.10177	2.4
111.04461	5.9
111.08103	2.3
113.06007	3.7
115.05431	0.9
117.07024	4.2
118.07810	0.9
119.08569	32.9
121.06491	1.0
121.10144	3.7
123.04422	3.2
124.03976	1.8
125.06013	1.2
128.06224	1.3
129.07016	3.1
130.07796	1.1
131.08560	9.0
133.10136	9.6
135.08076	1.3
137.06006	1.6
137.09566	1.7
139.07559	1.8
141.05460	17.2
141.07005	1.7
142.07796	3.7
143.08568	7.1
144.09270	1.7
145.10095	10.7
147.08037	3.7
147.11685	2.0
149.09602	3.3
155.07039	15.7
155.08580	3.7
156.09323	4.6
157.10115	12.9
158.10895	2.6
159.08080	1.8
159.11679	11.1
161.09688	2.3
163.11197	1.8
163.30640	0.9
165.09149	2.1
167.08521	2.4
168.09334	1.8
169.10141	8.6
170.10925	5.4
171.11668	19.9
173.09628	3.8
173.13242	18.3
174.13757	1.0
175.11203	1.8
175.14799	1.2
177.12686	1.1
179.08524	2.1
180.09297	1.5
181.10138	4.0
182.10904	3.6
183.11661	11.1
184.12456	4.3
185.13211	9.7
186.10454	1.6
187.11205	3.4
187.14809	1.8
192.09315	1.3
193.10101	4.5
194.10878	2.7
195.10143	1.3
195.11705	3.8
196.12521	1.5
197.13232	21.2
197.14877	1.5
198.13979	1.2
199.14864	2.0
201.12691	4.4
202.13438	1.5
203.14330	3.2
205.10176	2.8
206.10951	2.2
207.11661	7.5
209.13219	9.6
210.14008	1.0
211.11203	1.7
211.14832	7.6
215.10648	1.2
215.14299	2.6
219.11803	2.1
220.12431	13.0
221.13263	6.2
223.14824	4.4
224.15518	1.2
225.16315	6.1
233.13350	1.6
234.13937	1.6
235.14809	26.5
239.10477	1.1
239.17928	2.4
249.16364	7.2
253.12300	2.0
253.15846	8.3
255.13747	1.1
261.14743	1.1
267.17499	4.0
269.15338	3.6
271.16818	2.8
277.15903	5.4
279.94955	1.0
280.14740	1.8
285.18472	3.2
287.16492	1.3
289.18079	1.4
295.16867	14.1
303.19601	3.3
313.17941	100.0
314.18283	5.4
331.19046	14.3
401.23392	1.5
552.31677	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.1
53.03939	0.3
55.05505	0.2
55.59641	0.1
65.03938	0.1
67.05496	1.3
68.05003	0.1
69.03416	0.2
69.07054	0.1
71.05019	0.5
78.03444	0.8
79.04224	0.2
79.05487	0.4
80.05010	5.0
81.07055	1.1
83.04969	0.1
91.05450	0.7
93.07033	0.8
95.04966	0.8
95.08588	0.5
96.03862	0.2
96.04482	3.9
97.02869	0.8
97.06527	0.2
105.07006	0.9
106.02907	1.0
107.04948	0.2
107.08586	0.6
109.06503	0.3
109.10117	0.1
111.04446	0.4
111.08086	0.2
113.06011	0.2
117.06995	0.4
119.08569	4.2
121.06488	0.2
121.10135	0.3
123.04412	0.2
123.08051	0.2
124.03941	100.0
125.04287	1.3
128.06175	0.2
129.07002	0.3
131.08578	0.6
133.10130	0.7
135.08015	0.1
137.02429	0.1
137.05923	0.2
137.09514	0.1
139.07553	0.2
140.03419	0.3
141.05466	1.0
141.06990	0.1
142.07745	0.3
143.08542	0.7
145.10114	0.7
147.08057	0.3
147.11667	0.9
149.09625	0.2
151.07486	0.1
155.07018	1.7
155.08560	0.6
156.09314	0.4
157.10127	1.2
157.35007	0.1
158.10872	0.4
159.08035	0.2
159.11655	1.0
161.09627	0.6
161.13258	0.3
163.11139	0.1
167.08530	0.4
168.09323	0.2
169.10123	0.9
170.10875	0.4
171.11661	1.2
172.12347	0.2
173.09624	0.2
173.13245	1.0
175.11116	0.1
176.11940	0.3
176.15607	0.2
177.09091	0.2
179.08557	0.2
180.95033	0.1
181.08701	0.1
181.10120	0.4
182.10858	0.3
183.11690	0.9
184.12436	0.3
185.09581	0.4
185.13249	0.7
187.11096	0.3
187.14694	0.1
189.09085	0.2
192.09335	0.1
193.10143	0.4
194.10628	0.2
195.11639	0.7
196.12383	0.2
197.09624	0.2
197.13252	1.7
197.14902	0.2
199.14806	0.2
201.09097	0.1
201.12720	0.4
203.14323	0.3
205.10172	0.2
207.11649	0.5
208.12480	0.1
209.13258	0.7
211.11131	0.2
211.14778	1.0
213.09222	0.1
215.10873	0.1
215.14345	0.3
217.11967	0.1
219.11707	0.3
220.12474	1.1
221.13281	0.5
223.14735	0.2
225.12808	0.1
225.16339	0.8
229.12166	0.1
234.14030	0.3
235.14789	2.3
236.15457	0.2
239.10612	0.1
239.17828	0.3
241.12099	0.1
249.16394	0.8
251.17903	0.2
253.12224	0.2
253.15854	1.0
255.13785	0.3
259.14737	0.1
267.14307	0.1
267.17233	0.5
269.15408	0.2
271.16965	1.0
277.15881	0.4
280.14496	0.1
285.18607	0.2
295.16901	2.5
303.19547	0.2
313.17947	7.3
314.18286	0.2
331.18872	0.6
340.68765	0.1
401.23395	0.2
552.25781	12.5
553.26611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.3
51.62312	0.3
52.19541	0.2
53.03932	0.6
55.05503	1.8
57.07072	0.4
59.05001	1.7
65.03887	0.3
67.05499	2.5
69.07065	1.0
69.48374	0.2
69.90630	0.2
71.04977	0.3
73.06571	0.3
74.20767	0.2
78.03442	1.1
79.05488	2.8
80.05007	4.2
81.07053	5.9
83.04981	1.2
83.08605	0.3
89.06013	1.0
91.05471	4.2
93.07034	4.7
95.04962	2.1
95.08601	4.1
96.04488	3.2
97.06512	0.8
98.22630	0.7
103.05464	0.6
103.07559	0.9
105.04526	0.4
105.07020	16.3
106.02905	0.5
106.07359	2.0
107.08582	3.9
109.06486	0.6
109.10150	1.3
111.08038	0.4
117.06987	1.2
119.06101	0.3
119.08572	5.8
121.06481	0.8
121.10104	2.2
123.08062	0.7
123.11713	0.4
124.03941	100.0
125.04328	1.2
127.01590	0.3
128.06203	0.5
129.07008	1.1
130.07770	0.5
131.08545	3.1
133.10115	3.5
135.08044	0.6
135.11667	1.1
137.09674	0.3
139.11189	0.5
141.06912	0.5
142.07814	0.6
143.08536	1.7
145.10123	4.2
147.08063	1.4
147.11670	3.6
149.09601	0.7
149.13228	0.5
155.08498	0.7
156.09343	0.3
157.10092	2.1
158.10884	0.4
159.11667	3.3
161.09599	0.4
161.13248	1.3
163.14807	0.3
169.10117	0.8
170.10837	0.3
171.11659	1.4
173.13345	1.3
175.14836	0.8
176.30652	0.3
181.10114	0.4
183.11667	0.7
185.13235	1.0
187.14819	1.6
189.16431	0.4
195.11664	0.7
197.13243	0.7
199.14772	1.2
201.16342	1.0
209.13304	0.5
211.14769	0.6
213.16403	0.8
215.14297	0.3
217.15967	0.4
223.14749	0.6
225.16257	0.3
227.18063	0.5
236.84305	0.3
239.17851	0.4
267.21045	0.3
310.33270	0.3
351.26651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1131
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
50.01581	0.7
51.02382	1.0
53.03939	1.8
66.92354	0.6
68.99796	1.7
69.08504	4.8
77.03914	1.1
77.33257	0.6
95.04964	9.2
103.05461	2.9
105.03391	47.6
105.04416	4.2
106.03716	0.9
129.03416	0.8
131.04903	5.1
139.00278	1.0
164.00941	0.7
165.01700	0.7
176.01073	1.0
204.00616	2.3
207.02605	0.7
222.01604	0.9
222.06792	1.0
232.00096	1.7
241.04947	3.0
250.06195	0.7
255.06444	0.8
259.99460	1.4
262.01071	1.7
267.06406	0.9
269.04559	1.0
270.05255	1.9
271.06027	1.2
278.00610	1.2
278.05640	3.0
283.06088	1.1
285.07455	0.8
290.00693	2.1
291.06662	0.6
293.21271	0.7
305.04102	0.7
306.05246	10.5
312.99951	0.7
318.05280	1.1
334.04691	5.0
335.05334	0.9
337.14346	1.0
344.98663	0.9
362.04102	10.2
390.03613	6.9
391.04514	2.1
392.05231	20.9
393.05881	1.0
405.01843	1.0
405.06546	1.5
407.07657	2.2
418.03165	12.8
433.05563	5.6
436.04285	2.7
449.05264	1.1
515.93628	0.7
520.08087	1.2
521.08661	1.7
535.26862	2.0
538.08948	4.5
553.11224	100.0
554.11682	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	553.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01871	2.1
57.03433	0.8
59.08870	0.3
61.02922	0.9
66.92142	0.4
68.99790	1.9
69.03422	2.7
69.06881	2.1
70.06588	0.9
71.04984	0.6
73.02900	1.2
75.62220	0.3
81.02964	0.5
81.03415	7.1
84.08139	0.4
85.02901	7.9
86.09725	0.5
87.00827	4.0
89.03898	0.5
91.96732	0.3
92.15313	0.3
97.02887	3.3
99.04462	1.6
103.03937	0.4
105.01871	1.8
107.01305	0.3
109.02872	4.5
111.00817	0.8
117.03370	0.4
118.07475	0.3
123.04430	1.0
125.02283	0.4
127.03912	8.0
129.01811	1.0
129.10226	0.4
135.04416	1.4
137.02341	100.0
137.03424	7.1
138.02670	1.2
139.03932	3.0
145.02925	0.5
145.04947	1.8
147.02960	0.4
147.04424	0.8
151.03879	2.4
159.02856	2.2
161.02420	0.8
163.03873	1.6
169.05037	0.4
175.03906	1.0
177.01848	1.1
177.05464	1.2
179.03391	10.0
193.04921	0.4
195.02882	0.8
201.01685	0.3
203.03392	4.5
221.04523	0.5
231.04884	0.5
245.04492	1.1
267.06683	0.4
268.40991	0.4
269.04376	0.8
287.05478	6.3
305.06540	24.0
306.06711	0.5
311.05511	1.3
329.06549	4.5
347.07578	0.5
353.06406	1.2
371.07547	0.9
395.07590	0.8
425.53290	0.3
499.08936	0.6
517.09857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42493	0.3
51.82435	0.4
53.03934	1.1
54.10022	0.3
55.01873	1.7
57.03450	0.7
61.02890	0.4
66.89717	0.3
68.99776	1.2
69.03419	2.8
70.06584	0.4
70.14529	0.3
71.01353	0.4
71.04999	0.6
71.43278	0.5
73.02895	1.4
81.03414	3.9
81.04892	0.3
85.02409	0.6
85.02898	9.5
86.03188	0.3
87.00826	3.1
89.03867	0.3
91.05459	0.5
95.01310	1.6
95.04947	1.3
97.02889	2.8
97.06515	0.4
99.04430	1.6
100.07611	1.3
100.77232	0.4
103.05442	0.3
105.01860	1.9
107.04977	0.5
109.02875	3.8
110.09667	0.5
112.11208	0.6
113.01659	0.4
113.02369	1.3
117.01907	0.4
117.03384	0.7
119.04957	0.5
123.00786	1.3
123.04407	1.6
127.03905	6.2
129.13866	0.9
131.04909	0.9
140.04678	0.5
140.10660	0.6
141.01822	0.8
145.02849	1.8
145.04938	2.5
147.02858	0.6
151.03874	1.0
155.07074	0.5
159.02864	3.4
163.03880	1.0
169.01311	100.0
170.01648	1.7
175.14946	0.5
177.05420	3.0
181.04904	0.8
183.06583	0.7
187.03879	0.5
207.03011	0.4
211.02281	1.9
219.06560	0.5
231.04808	0.8
241.04968	0.6
263.05457	0.7
277.03500	0.6
287.05478	3.4
305.06522	33.5
306.06964	0.5
325.23596	1.0
326.24094	0.5
347.07693	0.7
373.12625	0.6
552.32751	0.4
553.32800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56023	0.6
61.25432	0.6
61.94437	0.7
79.05505	3.4
103.05415	2.6
107.04888	2.4
121.15819	0.6
130.89140	0.7
131.04956	6.0
131.05873	1.5
132.05267	0.7
155.06053	0.8
159.05496	2.7
160.06273	1.7
167.03436	0.9
168.02869	1.3
169.07590	0.7
171.05524	1.9
173.07112	1.6
174.04143	0.7
184.06322	0.7
185.07013	1.7
187.05013	4.5
197.07074	0.9
199.05060	4.4
201.06497	2.1
203.04498	1.2
205.06100	4.9
211.04977	1.1
213.06639	3.5
214.01341	0.7
215.04570	5.1
217.06023	2.7
218.66600	0.7
223.04871	2.1
225.06572	1.7
227.04463	2.7
229.06137	1.1
231.04076	0.6
233.05595	1.7
241.05989	2.7
245.05620	0.9
251.04466	2.6
253.06027	0.8
253.08665	0.7
255.04071	1.1
257.05551	4.2
269.05475	3.2
275.06760	0.8
279.03839	2.6
281.05569	11.5
283.03635	1.0
293.04120	0.8
297.04990	4.9
299.06595	3.7
301.04419	0.9
325.04532	100.0
326.04800	2.2
343.05609	60.9
344.05981	1.2
361.06516	3.5
387.09903	1.9
401.11417	1.6
429.10809	91.5
430.11108	3.4
447.11874	59.5
448.11966	2.8
517.13806	0.7
535.15033	60.1
536.15277	2.8
553.16083	55.0
554.16785	3.3
573.12561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96613	1.1
62.87984	1.0
69.53695	5.2
70.02963	1.3
83.35741	1.4
92.17852	1.1
97.01030	1.2
103.05464	9.2
105.03403	2.5
116.06280	1.1
122.02463	1.4
131.04926	22.5
132.05270	1.4
138.01877	2.1
142.90712	1.2
149.56085	1.4
160.03944	1.9
166.01402	3.2
178.01266	2.7
181.01195	1.2
182.11378	1.1
187.05042	6.1
194.28926	1.3
201.06635	2.2
203.04509	2.9
204.24667	1.2
215.04454	1.8
225.05447	2.1
229.06044	1.4
235.08704	4.7
255.04097	1.9
263.08316	3.3
265.09784	4.6
269.05609	1.7
270.07587	1.8
272.03693	1.4
279.11307	5.0
282.07602	2.6
284.09219	2.1
297.05103	7.0
299.03119	1.8
303.07642	2.1
305.05911	1.9
305.09253	7.5
307.07382	2.0
307.10712	1.8
315.06131	2.9
317.04086	2.2
325.04584	4.9
327.02362	1.2
331.07150	3.1
331.10873	1.2
333.08835	3.9
343.05734	1.2
345.03485	4.1
359.06488	2.0
361.08347	1.8
370.74481	1.2
375.09744	14.2
377.07407	2.2
403.04327	1.4
403.09241	32.9
404.10089	1.2
421.10312	3.1
431.08810	24.8
449.09778	2.0
477.92477	1.2
507.15842	1.4
535.15057	14.5
553.16028	100.0
554.16382	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	553.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27857	3.9
98.23330	1.8
98.97588	5.6
105.95230	1.7
112.99138	2.0
124.03951	20.0
125.04324	4.8
147.11617	2.1
158.99660	2.5
161.71564	2.0
161.87177	1.8
177.13875	1.8
231.14395	1.6
293.05286	2.7
295.28476	1.7
317.17880	3.4
335.18909	2.2
372.54929	2.2
553.27667	100.0
554.28589	3.7
578.28967	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	553.2772
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
51.85998	1.1
52.33550	1.2
62.57231	1.2
69.93520	1.9
69.93851	3.0
74.84258	1.2
75.04578	1.3
89.35246	1.3
103.05444	1.7
131.04919	3.9
145.59088	1.3
318.50015	1.4
472.90051	1.4
553.27679	100.0
554.27942	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	554.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50993	0.3
53.03948	2.7
55.01860	1.9
57.03437	3.0
61.02923	3.1
62.97351	0.3
65.03942	0.5
68.99784	1.3
69.03429	17.2
69.79726	0.8
70.79794	0.3
71.01344	0.6
71.04993	2.3
73.02909	2.5
76.45644	0.3
78.03452	0.9
80.05018	0.3
81.03417	12.7
83.01339	0.4
83.04966	0.5
84.71268	0.3
85.02901	41.7
87.00829	6.2
87.04469	1.0
90.03442	2.9
90.87556	0.3
91.03926	0.6
91.05482	0.4
97.02888	12.6
98.23446	0.4
98.99988	1.5
99.04455	4.3
101.02368	0.8
103.03924	1.1
105.01864	7.5
109.02875	13.8
110.06033	0.9
115.03931	1.0
117.01843	0.5
123.04534	0.3
125.02337	0.3
126.01066	56.9
126.05511	2.8
127.01968	1.7
127.03912	22.5
128.02650	0.5
129.01837	1.7
133.04950	0.3
144.02107	100.0
145.02492	1.4
145.04941	8.0
147.02818	1.6
151.03902	2.7
153.05640	0.3
159.02884	3.4
169.01353	0.4
169.04890	0.4
177.04002	0.4
177.05435	0.7
178.05705	0.4
181.04893	0.5
186.03227	1.0
187.06032	0.9
189.03952	1.4
212.01170	0.4
213.03906	1.3
231.05020	5.0
249.06085	0.8
252.04045	0.4
270.05194	0.9
271.08139	0.5
272.11288	0.5
288.06177	0.6
300.65390	0.3
306.07388	4.5
329.00031	0.3
374.06339	1.2
392.07404	35.0
393.07681	1.1
476.02493	0.4
555.25891	1.1
557.28851	0.4
578.21655	0.3
584.94830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01875	3.0
57.03438	3.5
61.02928	2.5
68.99784	2.2
69.03064	1.2
69.03429	16.2
70.80079	1.0
71.04990	3.0
73.02917	3.3
75.82735	0.6
78.03457	1.3
80.05028	0.6
81.03420	15.1
82.01077	0.5
85.02905	39.3
87.00827	12.2
87.04485	0.7
88.67326	0.5
90.03439	0.9
95.33938	0.6
97.02898	14.3
99.00011	1.0
99.04455	6.0
103.03929	1.0
105.01872	10.4
105.63022	0.6
107.84398	0.5
109.02883	13.3
111.04478	0.7
117.01840	1.5
126.01071	29.3
126.05488	3.5
127.01876	1.7
127.03915	25.6
128.02649	0.8
129.01825	1.5
144.02113	100.0
145.02480	1.3
145.04959	10.1
147.02901	0.9
150.79565	0.5
151.03908	3.5
159.02892	5.9
168.02415	0.7
169.04962	0.6
177.05466	0.5
181.04974	1.7
185.56013	0.5
188.66682	0.8
189.03990	1.5
193.28764	0.5
211.04272	0.6
213.04030	0.8
231.04968	6.3
249.06055	0.9
288.06451	1.1
306.07367	13.1
437.63538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
59.17053	0.4
64.18739	0.4
67.01836	0.5
68.99770	1.3
69.17787	1.4
69.18219	1.6
70.02927	1.2
83.01332	1.7
85.39214	0.4
85.43414	0.4
91.05469	1.9
92.01350	0.9
92.99783	0.4
95.01328	0.8
95.04915	0.6
96.33599	0.4
98.22686	0.9
103.05464	9.4
105.07039	0.4
110.02362	2.0
113.02328	1.2
114.50195	0.4
115.05434	1.2
123.00786	0.9
124.03921	0.9
131.04924	19.4
138.01848	5.3
139.02620	0.7
140.03378	0.8
147.04378	2.1
148.00276	0.6
148.02834	0.4
150.01811	1.3
152.03423	3.3
152.90193	0.4
153.01808	1.7
154.01286	1.1
156.02866	0.6
166.01355	6.7
167.02116	0.7
168.02898	2.3
169.01317	87.4
170.01666	1.0
178.01349	20.3
179.01732	0.5
180.02931	1.4
181.01326	7.7
184.02415	1.2
185.03212	0.7
187.03880	0.6
190.01283	0.6
192.02875	0.7
195.01598	2.0
196.02423	5.1
197.00777	0.5
199.02376	5.6
199.03983	0.7
202.01389	0.9
204.02901	0.6
208.02370	3.9
212.06998	0.6
213.05409	0.5
218.00829	1.0
220.02448	1.5
225.05400	0.7
226.03448	2.0
230.00797	0.8
231.06554	1.8
236.01869	2.4
236.07021	0.5
241.04980	0.5
242.08081	0.9
243.06563	0.6
248.01851	2.0
249.99812	1.0
255.06630	0.8
257.07993	0.7
258.00339	0.8
266.03113	0.7
267.54425	0.4
268.00836	5.4
270.07626	1.4
273.07489	2.2
276.01678	0.6
278.02914	1.3
282.07584	17.3
290.02942	1.2
292.00934	0.5
304.00928	1.0
306.02481	0.8
306.07596	0.6
318.02408	0.8
322.01978	0.8
346.01944	11.8
347.02289	0.4
352.07986	1.0
354.06134	1.7
366.09729	1.3
378.05997	2.4
392.07727	2.2
408.07300	1.0
450.08176	34.5
451.08575	1.3
494.12363	1.0
499.69321	0.6
512.13629	0.7
522.11847	0.7
554.14429	100.0
555.14697	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	554.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.84414	0.5
62.20339	0.5
65.71703	0.5
68.99790	0.9
69.51999	2.9
91.05472	8.2
93.07056	1.1
95.04961	2.4
96.91159	0.6
103.05476	1.4
105.03381	2.4
105.04501	1.2
121.06501	100.0
122.06836	0.7
124.03956	5.0
126.92011	0.5
131.04951	3.2
134.02379	0.6
162.01891	1.2
163.07555	0.9
164.03452	0.7
169.01274	1.5
176.03458	1.2
190.01329	3.2
204.02916	6.9
218.00792	4.1
220.02406	1.0
232.02396	11.5
234.03976	1.6
244.02423	0.8
246.00430	1.2
260.01849	8.3
264.01401	9.5
264.06912	0.5
274.05032	1.0
278.03094	0.6
286.17291	0.6
288.01373	71.7
289.01874	1.2
292.05908	0.7
302.04663	1.3
304.06277	0.6
306.02408	29.4
313.99225	0.8
320.05487	0.9
330.04007	1.8
348.05026	1.7
358.03305	0.8
376.04517	15.4
392.07626	64.9
393.07834	2.3
394.05533	3.6
418.05557	5.9
480.10675	5.6
522.11816	12.0
554.14392	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	554.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
52.74477	0.2
53.03923	0.4
56.00906	0.2
65.54418	0.2
69.23489	1.3
77.03919	1.0
79.29606	0.2
91.05462	0.4
95.04958	3.1
102.04667	0.7
103.05459	44.6
104.05787	0.6
105.03379	0.4
105.04498	1.4
105.07094	0.3
109.30415	0.2
121.06503	2.1
122.02395	0.3
124.03942	1.6
131.04915	100.0
132.00795	0.3
132.05228	1.5
148.00290	0.3
149.31294	0.3
150.01889	0.3
162.01875	0.5
166.01262	0.4
169.01305	0.5
177.00650	0.3
178.01453	0.3
190.01294	0.9
191.02113	0.3
192.02966	0.6
202.01282	1.3
202.43201	0.3
204.02959	0.4
206.00768	0.5
208.02356	0.3
218.00839	6.7
219.01456	0.4
220.02408	0.5
229.63855	0.3
230.00824	0.7
232.02275	0.6
234.00279	0.9
236.01942	0.3
246.00330	5.5
258.00214	1.8
264.01373	0.3
276.01364	8.2
277.88199	0.3
285.99731	1.7
288.01459	2.4
290.02850	0.4
304.00790	0.8
306.02353	1.0
313.99289	1.4
318.02182	0.2
320.05426	0.4
332.00290	5.1
350.06677	1.4
362.06497	2.9
376.04333	0.6
390.06152	0.6
392.07574	3.3
418.05527	3.1
436.06638	9.1
437.06570	0.4
468.09131	0.4
480.10614	0.5
494.12051	0.4
522.11761	8.5
523.11810	0.5
554.14563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31979	1.2
55.01869	2.3
55.76468	1.2
68.99777	3.6
91.05475	3.8
93.59789	1.6
95.01319	19.6
95.04955	3.8
103.05458	43.6
104.05807	2.4
105.03410	3.7
105.07049	2.5
107.04921	2.5
110.02409	3.1
115.05467	5.7
117.53387	1.4
121.06556	3.1
124.03986	5.9
129.07008	1.8
131.04915	100.0
132.05251	2.5
133.38017	1.7
140.03444	2.8
147.04446	2.2
148.03899	2.0
152.03462	2.3
154.01361	4.2
164.03519	1.6
166.01404	3.0
168.02878	7.5
169.01270	3.8
169.06726	1.6
178.01405	5.3
180.02855	2.9
181.01299	2.1
181.06520	2.2
185.00821	2.4
190.01346	9.0
192.02911	4.1
194.00789	2.3
196.02365	3.0
197.00984	1.7
199.04027	2.8
203.99284	9.3
204.02852	2.1
208.02370	8.3
214.03384	10.1
218.00826	13.3
220.02434	4.1
222.00391	3.4
228.02827	1.9
232.02432	1.8
234.04099	2.6
236.02011	2.2
237.05426	1.8
240.01472	6.2
241.04984	2.8
244.02403	41.6
246.00426	4.2
254.02936	7.2
255.06566	6.0
264.01468	2.1
264.06714	2.5
272.01981	12.5
272.09180	2.0
278.03061	2.1
282.07645	3.4
283.06061	5.0
285.99738	3.8
288.01364	3.3
289.99359	4.4
290.03067	6.7
290.08536	1.6
302.02975	1.7
304.00937	4.5
306.02460	2.3
313.99426	6.7
322.07187	5.7
324.08850	5.3
332.00372	8.4
340.08588	1.9
346.01996	5.6
348.08630	33.3
364.03052	4.7
366.09848	2.9
376.08286	7.2
390.06140	9.8
392.07782	3.1
404.07678	9.3
406.09271	4.6
408.07153	3.4
418.05676	5.9
422.08878	1.7
436.06741	3.9
450.08585	11.4
468.09225	48.5
469.09616	1.8
508.14142	7.1
522.11951	10.5
536.13306	5.1
540.13226	1.9
554.14435	75.7
555.14795	3.4
571.01678	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	554.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.3
58.99574	0.8
59.67441	0.6
64.09870	0.6
65.03969	0.7
67.05492	1.7
69.03110	1.0
69.03430	10.0
70.02935	2.3
70.31604	0.6
70.34705	1.1
76.02245	0.8
78.63213	0.6
79.05486	2.1
81.03417	7.0
81.07056	1.8
83.04980	6.0
83.08609	0.8
84.39926	0.7
85.02885	0.7
86.00690	1.5
86.99027	0.7
88.02209	2.2
88.03991	34.0
91.05473	4.1
93.07056	1.8
95.04970	1.5
95.08624	1.1
97.02889	100.0
98.03220	1.1
105.07047	4.3
107.08599	1.9
109.02883	0.7
109.06528	1.3
109.10139	0.8
111.04437	7.6
114.03651	1.2
115.05486	0.8
117.07014	3.1
119.08559	4.3
121.02863	12.5
121.10145	1.5
123.08160	0.9
128.06277	0.8
129.07033	2.1
131.04936	0.7
131.08560	7.2
132.01164	2.6
133.06537	1.0
133.10146	2.2
135.02693	0.6
135.08084	0.6
141.07002	2.0
142.07829	1.1
143.08527	4.0
145.10123	6.2
147.04483	0.7
147.08054	1.4
147.11742	1.1
151.03897	1.2
151.05818	0.7
153.07246	1.1
155.08585	2.4
156.09357	2.9
157.10104	4.2
158.02757	1.0
158.10863	1.2
159.08057	1.4
159.11705	1.5
161.09654	1.3
161.13283	0.9
163.11200	1.3
165.07132	0.9
167.08588	1.2
168.09328	1.7
169.10092	3.1
171.11681	5.4
173.09723	1.0
173.13248	20.3
174.13614	0.8
175.05734	0.8
175.11182	0.8
175.14819	2.0
179.08609	0.9
181.10152	2.2
183.11726	4.9
185.13232	1.5
187.11169	0.8
192.09319	0.8
193.10095	1.3
195.11703	1.6
197.13239	1.9
199.11224	1.2
201.12767	2.3
202.45383	0.6
205.10326	1.3
206.10867	0.7
207.11880	3.6
209.13297	1.5
215.09018	1.0
217.04951	9.3
217.10347	1.5
219.11909	0.9
219.13870	0.8
221.13368	2.1
235.06000	4.3
235.11522	2.2
237.16443	1.1
251.14250	0.7
253.07066	2.9
255.13924	1.0
265.15967	1.6
273.14853	3.1
283.17032	2.6
293.15561	0.8
299.14661	0.8
304.13687	1.1
317.15710	1.6
322.14896	1.5
345.15106	6.1
356.65302	0.8
373.18393	0.9
382.87674	0.7
386.18146	1.0
404.18848	1.4
407.16821	1.3
414.17245	2.2
432.18359	4.9
433.18765	0.8
438.48050	0.7
440.17163	1.4
450.19608	1.1
458.18109	2.4
476.18954	4.7
492.20917	1.6
494.20200	10.4
528.69202	0.9
537.19562	5.9
554.22290	30.0
555.22614	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28831	0.1
53.03938	0.3
63.23170	0.1
69.07650	0.8
69.08051	0.4
72.03586	0.1
72.45707	0.1
78.03426	0.7
79.05469	0.2
80.05014	3.6
81.07066	0.3
81.73330	0.1
87.04447	0.4
90.86350	0.2
91.05476	0.4
93.07036	0.2
95.04958	0.9
96.04481	2.7
104.07100	0.6
104.53502	0.2
105.07005	0.4
106.02888	0.3
109.06487	0.3
117.06953	0.2
119.08551	0.4
121.06499	0.2
124.03938	100.0
125.04278	1.1
129.07045	0.2
130.07764	0.2
131.08554	0.4
142.07774	0.2
143.08495	0.2
145.10063	1.2
149.09581	0.2
153.05476	0.3
155.08559	0.2
157.10118	0.5
159.08047	0.2
159.11693	0.5
167.08586	0.2
169.10057	0.4
171.11644	0.2
173.09628	0.5
174.33841	0.1
179.08501	0.3
181.08585	0.5
181.10066	0.3
193.10127	0.6
195.11681	0.3
197.13286	0.5
206.10999	0.2
207.11737	0.4
208.12541	0.4
209.13260	1.0
223.14667	0.7
235.14857	0.2
251.14340	0.4
266.13394	0.1
266.84180	0.2
283.17093	0.2
309.52380	0.2
311.16425	1.6
329.17447	0.3
407.62350	0.1
419.96796	0.2
434.19501	0.3
473.21274	0.3
512.22681	0.8
554.22504	1.5
554.31427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
51.27096	0.2
52.56459	0.2
53.03928	0.5
53.71811	0.2
55.05504	0.4
56.96538	0.4
57.07064	0.3
58.50536	0.2
65.03920	0.2
67.05477	0.9
69.03410	0.4
69.07069	0.5
69.91205	0.8
77.47988	0.2
78.03450	2.9
79.05483	1.2
80.04544	0.3
80.05015	5.3
81.03370	0.3
81.07056	1.2
83.04960	0.5
87.04463	2.4
91.05475	2.3
93.07043	2.1
95.04951	1.5
95.08588	1.6
96.04489	3.6
97.06526	0.3
105.07018	3.4
106.02184	0.3
106.02905	6.2
107.08574	1.9
109.06514	1.4
109.10148	1.0
111.04435	0.5
115.05428	0.3
117.06991	1.3
119.04900	0.3
119.08575	3.8
121.06487	0.3
121.10143	1.6
123.08078	0.9
124.03941	100.0
125.04313	1.1
125.05949	0.3
128.06238	0.5
129.06989	0.9
131.08557	1.6
133.06522	0.4
133.10141	2.5
135.08015	0.5
135.11653	0.3
137.06021	0.2
137.09575	0.3
140.03368	0.3
141.06967	0.6
142.07802	1.2
143.08549	2.2
144.09297	0.4
145.06497	0.4
145.10121	2.3
147.08029	0.6
147.11670	3.3
149.05980	0.3
149.09608	0.7
150.10364	0.3
151.07518	0.5
154.07748	0.4
155.08539	1.3
156.09323	1.0
157.10112	3.0
158.10933	1.2
159.08061	0.6
159.11635	1.6
161.09615	2.4
161.13290	1.2
163.07509	0.6
163.11134	0.3
165.06956	0.4
165.09132	0.2
167.08592	0.6
168.09346	0.5
169.10085	2.3
170.10884	0.5
171.08080	0.3
171.11678	2.3
172.12448	0.7
173.09613	0.7
173.13229	1.1
175.07561	0.2
175.11195	1.0
176.11948	1.9
177.09111	0.4
179.08525	0.6
181.10097	0.9
182.10913	0.4
183.11653	2.1
184.12463	0.3
185.09592	0.5
185.13274	1.2
187.07520	0.5
187.11134	1.7
187.14839	0.4
189.09096	0.4
190.13571	0.2
193.08516	0.3
193.10147	0.7
194.10898	0.5
195.11630	1.0
196.12451	0.6
197.09645	0.9
197.13136	1.1
198.13884	0.3
199.11098	0.4
199.14781	0.3
201.09074	0.5
203.10597	0.4
203.14307	2.0
206.10884	0.3
207.11720	0.8
208.12462	0.3
209.09567	0.3
209.13235	1.6
210.13829	0.2
211.11198	0.6
211.14792	1.0
213.09174	0.3
213.12692	0.3
215.10738	1.0
219.11720	0.4
220.12497	0.3
221.13219	0.7
222.13850	0.3
223.14725	0.2
225.12714	0.6
225.16422	1.5
227.10651	0.6
227.14331	0.3
227.17984	0.2
229.12239	0.7
231.10170	0.4
234.13962	0.3
235.14899	0.7
236.15575	0.3
237.12715	0.3
239.14249	0.4
239.17839	0.2
241.12137	0.5
243.13789	0.2
249.16357	1.0
251.17847	0.4
253.12306	0.4
253.15854	1.3
255.13818	0.7
267.13608	0.3
267.17471	1.3
269.15283	0.5
270.15778	0.3
271.16916	4.2
285.18643	0.5
295.16925	4.4
313.17932	8.0
347.15280	0.5
365.16287	0.3
436.21164	8.3
437.21347	0.4
470.18381	0.5
512.19653	0.8
531.92096	0.2
536.26227	0.5
554.19342	0.5
554.27539	8.8
555.27460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.1
52.03148	0.1
53.03934	0.2
67.05500	0.3
69.07052	0.1
71.43497	0.1
78.03429	0.5
79.04224	0.1
79.05486	0.2
80.05008	4.1
81.07047	0.2
89.06017	0.1
91.05455	0.3
92.05777	0.1
93.07045	0.3
95.04991	0.1
95.08589	0.3
96.03866	0.2
96.04484	2.9
97.02896	0.2
97.82736	0.1
105.07027	1.0
106.02904	0.2
106.07329	0.1
107.08575	0.2
110.73381	0.1
111.23618	0.1
119.08575	0.5
120.08934	0.1
121.10127	0.1
124.03938	100.0
125.04271	0.9
131.08546	0.2
131.74461	0.1
133.10130	0.2
140.03345	0.2
141.05452	0.1
145.10088	0.2
155.07057	0.1
155.08406	0.1
155.31506	0.1
157.10126	0.2
159.11685	0.2
169.10060	0.2
170.10867	0.2
171.11617	0.2
173.13223	0.1
185.13220	0.3
195.11609	0.2
197.13219	0.2
198.13625	0.1
209.13327	0.1
220.12418	0.1
231.34030	0.1
235.14856	0.1
237.16245	0.2
297.18158	0.2
313.17932	0.2
314.18231	0.5
315.19412	1.4
450.24042	0.1
471.54074	0.1
554.27698	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	554.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.05487	0.2
67.05485	0.4
69.94931	0.6
71.04960	0.2
72.43945	0.2
78.03439	0.8
79.05483	0.2
80.05009	4.7
81.07043	0.4
91.05460	0.3
92.23564	0.2
93.07027	0.4
95.04920	0.2
95.08596	0.6
96.04485	4.0
105.07020	0.6
106.02911	1.2
107.08574	0.5
109.06523	0.3
109.10157	0.3
111.04456	1.2
117.07014	0.3
119.08566	0.7
121.10170	0.5
124.03941	100.0
125.04311	0.7
129.07069	0.2
131.08566	0.4
133.10124	0.6
139.07549	0.3
140.03430	0.3
143.08592	0.3
145.10101	1.0
147.11656	0.4
149.05925	0.2
149.09650	0.2
149.13266	0.2
156.09259	0.3
157.10135	0.5
159.11681	0.9
161.09592	0.3
161.13280	0.3
169.10146	0.2
171.11659	0.7
173.09634	0.2
173.13239	0.4
177.12814	0.2
181.10091	0.4
184.12436	0.2
185.13280	0.6
187.14825	0.6
195.11647	0.4
197.13243	0.7
199.14803	0.8
203.14174	0.2
205.15735	0.5
209.13260	0.4
211.14928	0.3
213.12691	0.2
213.16386	0.4
217.12234	0.2
219.61565	0.2
237.12794	0.3
237.16364	0.6
241.12328	0.3
251.17911	0.3
259.16696	0.2
269.15424	0.2
269.19019	0.4
273.14911	0.5
273.18433	0.3
279.17422	0.6
297.18469	3.1
315.19543	2.4
420.21783	0.4
438.22699	0.3
500.58771	0.2
554.27441	14.5
555.27612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08286	0.7
59.04995	100.0
69.03394	0.7
69.89468	1.6
69.89820	1.1
71.05001	1.2
73.02911	2.2
73.06553	3.0
78.99497	0.6
81.07097	0.7
84.04499	1.0
85.02932	0.7
87.04451	2.5
89.06023	8.4
91.05483	1.1
103.07568	64.4
104.07890	1.2
105.07033	0.7
112.99999	3.6
115.07502	0.8
117.09153	2.1
127.00894	0.4
127.01551	33.5
133.08588	4.4
139.01530	13.8
147.04413	2.5
147.10144	20.6
153.03102	40.4
167.93532	0.8
177.11247	1.1
183.04143	5.8
191.12798	1.4
197.05724	18.0
227.06717	1.6
241.08278	4.2
259.09653	0.9
271.09555	2.3
285.10934	1.7
287.05554	3.2
303.11954	1.1
315.12024	1.6
537.26672	4.9
554.23456	1.4
554.31183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.05500	1.8
63.87265	0.6
65.03934	1.2
66.82034	0.6
67.05499	12.7
69.03413	2.4
69.94185	1.7
71.04634	0.8
71.04993	8.8
79.05473	2.6
81.07052	9.7
83.04972	5.5
83.08625	0.8
85.02891	0.7
90.50620	0.7
91.05480	5.2
93.07032	5.6
95.04950	7.0
95.08589	2.4
97.02882	10.1
97.06528	1.1
105.07021	7.2
107.04948	1.2
107.08589	6.7
109.06517	4.2
109.10156	1.1
111.04440	8.8
111.08076	1.9
113.05975	0.9
115.05457	1.1
117.06963	1.8
119.08579	11.0
121.06506	2.0
121.10104	1.1
123.08064	2.0
124.03939	3.4
128.06203	1.6
129.05449	0.8
129.07008	4.5
131.08583	5.7
133.06441	1.5
133.10110	4.1
135.08049	12.9
137.05994	1.7
137.09633	0.7
139.03857	0.9
139.07538	1.5
141.05482	1.4
141.06970	1.5
142.07732	4.8
143.08572	6.7
145.06461	1.4
145.10120	5.2
147.08049	6.3
149.09610	2.4
153.06975	1.0
154.07791	1.1
155.07030	25.8
155.08511	4.2
156.09344	6.9
157.06444	0.9
157.10104	16.9
158.10875	1.3
159.08047	4.2
159.11685	5.3
161.09589	3.0
163.07483	1.0
165.07010	2.6
166.07855	1.2
167.07343	0.7
167.08580	4.6
168.09348	1.1
169.10075	7.8
170.10890	3.5
171.07941	1.0
171.11667	20.7
172.08858	0.9
172.12315	1.1
173.09567	5.6
173.13235	7.5
175.11198	2.8
177.09084	2.5
178.07736	1.0
179.08536	5.5
180.09296	3.0
181.08566	3.8
181.10112	10.6
182.10796	2.2
183.11655	8.4
184.08803	1.2
184.12389	1.4
185.09605	6.6
185.13252	8.5
186.10400	6.7
187.11119	2.8
189.09114	1.3
189.12648	1.3
191.08611	1.0
192.09328	3.0
193.10114	12.3
193.11720	1.3
194.10889	5.7
195.08031	1.3
195.10123	1.6
195.11681	11.1
196.12422	1.4
197.09627	1.3
197.13255	4.1
199.11153	8.4
199.14821	2.6
200.11952	9.0
201.09071	1.2
201.12726	25.5
201.14587	1.4
203.08534	2.0
205.10039	2.0
206.10916	2.3
207.11674	12.6
208.12450	9.8
209.09634	2.8
209.13235	16.9
210.13826	1.0
211.11154	3.0
211.14801	2.1
213.09206	0.9
213.12755	10.4
217.10181	1.5
217.12106	1.0
218.10912	3.6
219.11679	2.6
221.09654	1.4
221.13234	5.5
222.13982	2.8
223.11131	2.1
223.14793	27.6
224.15277	1.2
225.12671	2.3
225.16330	1.2
227.10686	1.3
227.14301	2.9
231.11668	0.8
232.12437	3.1
233.13248	7.6
235.11217	2.5
235.14722	1.3
236.11955	4.9
237.12784	3.3
237.16458	6.1
241.12241	1.1
241.15805	2.7
243.13800	1.5
247.14793	5.2
250.13457	2.1
251.14304	27.6
252.14832	1.7
253.12227	2.6
255.17348	1.0
260.11871	1.1
265.15817	11.2
267.13852	1.4
267.17130	0.9
269.15344	11.6
270.15530	0.8
271.13132	1.0
275.14261	2.7
278.12839	1.5
283.13504	2.0
283.16818	15.2
287.16324	2.5
293.15332	11.7
294.15521	0.9
296.14081	2.1
301.17868	3.0
311.16376	100.0
312.16599	4.6
329.17447	42.1
330.17804	2.5
347.18512	1.4
353.17413	3.0
371.18463	13.1
389.19489	2.9
399.21664	11.1
417.22540	0.9
431.20508	2.6
449.21869	0.9
466.24417	1.6
519.25806	9.5
536.28827	0.7
554.22113	1.0
554.29443	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	554.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
55.05502	3.2
67.05498	19.5
69.03419	5.3
69.07038	2.5
69.93168	5.0
69.93501	2.6
71.04977	10.2
79.05495	5.4
79.39650	2.2
81.07047	14.5
82.58765	2.1
83.04966	6.3
85.02923	3.1
87.04472	3.1
88.10589	2.4
90.13602	2.1
91.05476	8.0
93.07049	15.1
95.04977	8.2
95.08595	8.0
97.02888	15.6
104.07096	2.6
104.99318	3.7
105.07018	14.7
107.08595	10.2
109.06518	5.9
109.10130	2.5
111.04427	10.3
111.08070	3.6
113.05997	3.0
117.07017	4.7
119.08571	19.5
121.06443	5.8
121.10161	8.3
123.08059	5.6
124.03949	6.3
129.06993	2.7
131.08533	7.5
133.06496	7.1
133.10100	14.1
133.22308	2.6
135.08049	9.7
136.84703	2.2
141.05437	7.6
141.07011	2.6
142.07803	2.9
143.08522	9.8
145.10126	12.7
147.08047	9.8
147.11693	3.6
149.09610	6.0
151.07524	2.4
153.09009	2.6
155.07027	21.9
155.08424	4.4
156.09334	7.5
157.10106	18.2
159.08009	6.5
159.11719	7.6
161.09639	8.1
161.13277	5.9
163.07507	3.3
165.09091	2.9
169.10109	7.6
170.10887	4.8
171.10315	3.9
171.11687	27.9
173.09659	8.8
173.13274	7.7
175.11188	10.4
177.09100	3.3
179.08545	6.2
181.10049	13.0
182.10901	2.3
183.11652	8.3
184.12492	2.3
185.09612	7.2
185.13258	12.8
187.11192	8.1
189.09116	3.2
189.12767	26.6
190.13416	2.4
191.14276	3.9
193.10210	9.8
194.10881	5.2
195.10103	3.6
195.11688	7.7
197.13246	8.8
199.11171	10.2
199.14815	6.4
200.12016	5.1
201.12752	6.7
203.10550	3.4
203.14313	2.6
207.11737	5.0
207.13774	7.6
208.12415	7.3
209.13263	19.2
209.98657	2.3
213.12811	10.6
213.16443	3.7
217.12248	8.2
221.13274	5.4
223.11273	3.3
223.14832	24.6
225.12825	4.9
227.14240	5.1
229.12311	3.2
231.13826	4.1
237.16344	7.4
239.14334	3.9
241.15889	10.8
249.14951	3.3
250.13402	3.7
251.14345	16.6
255.13737	2.7
255.17474	4.2
259.16882	5.2
261.11359	3.7
265.15887	10.0
269.15341	15.4
273.18372	2.4
283.16849	15.4
287.16238	11.9
293.15280	7.0
296.14008	3.9
301.18002	25.9
311.16394	31.5
319.18997	4.1
329.17438	100.0
329.21384	5.2
330.17627	4.3
347.18500	49.8
348.18790	4.0
371.18634	2.3
389.19513	9.4
456.01068	2.4
473.21542	8.6
554.29443	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	554.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.7
55.05497	5.8
60.10596	1.5
65.03945	2.2
67.05503	11.7
69.03442	3.9
69.07038	1.7
69.61617	4.0
71.04982	3.7
78.96819	1.7
79.05499	8.2
79.70679	1.6
81.07047	13.0
83.04977	5.2
85.02880	1.9
91.05467	14.1
93.07047	14.0
95.04944	6.8
95.08579	6.6
97.02856	8.5
105.07027	14.6
106.06611	3.0
107.04941	4.2
107.08584	21.1
107.45938	1.5
109.06511	4.8
109.10114	1.8
110.06734	1.6
111.04456	9.8
111.05067	1.5
111.08075	2.9
115.05428	1.8
115.46513	1.5
117.06982	7.0
119.04949	2.2
119.08578	14.3
120.04453	6.2
121.06518	5.8
121.10122	4.6
123.08070	7.4
124.03947	7.0
128.06207	3.2
129.07004	7.2
131.08562	11.0
133.06494	5.7
133.10120	27.3
135.08043	24.6
137.05981	2.3
139.07570	2.3
141.05377	1.8
141.06969	3.0
142.07745	6.5
143.08545	12.9
145.06508	3.0
145.10057	9.0
147.04384	20.9
147.08015	8.3
147.11652	3.8
149.09593	12.9
155.07016	18.8
155.08524	6.8
156.09351	8.0
157.10112	23.4
158.07216	1.9
159.08064	7.5
159.11688	7.2
161.09602	10.0
162.05489	2.0
163.07462	2.3
165.07034	3.6
166.07674	2.4
167.08545	6.7
169.10117	7.6
170.10878	6.0
171.08040	2.3
171.11684	17.2
172.08806	3.0
172.12343	2.9
173.09581	10.8
173.13255	6.8
174.05406	2.4
175.11172	10.7
179.08531	7.5
180.09319	4.9
181.08656	3.6
181.10115	12.3
182.10930	2.8
183.08072	2.5
183.11682	10.1
184.08836	2.1
185.09645	13.5
185.13229	12.5
186.10339	3.3
187.11172	12.0
188.03474	3.9
189.09053	3.2
189.12752	5.7
192.09332	2.0
193.10152	14.2
194.10867	5.5
195.08325	2.9
195.10158	16.2
195.11705	9.2
197.09633	3.6
197.13252	4.1
199.11160	14.1
200.11923	7.5
201.09125	2.3
201.12694	17.8
202.04967	5.5
203.10651	3.0
206.10867	2.8
207.11674	10.2
208.12448	11.5
209.09641	3.8
209.13243	20.1
211.11139	5.5
211.14816	1.9
213.12785	11.3
217.10229	4.0
217.12244	5.9
218.04498	14.2
219.11736	2.6
219.13898	1.9
221.09654	2.1
221.13278	5.0
222.14018	3.6
223.11179	6.6
223.14787	32.4
225.12727	5.6
227.14311	5.1
230.04457	36.8
232.12537	3.9
233.13232	7.7
235.11224	3.6
236.11932	6.8
237.12698	3.8
237.16356	6.6
239.14311	2.4
241.12175	2.3
241.15915	3.3
247.14835	5.8
249.12589	1.9
251.14249	28.7
252.14830	2.7
253.12323	3.3
255.17430	3.3
265.15814	13.0
269.15350	18.3
272.05441	2.1
275.14316	3.6
283.14063	2.1
283.16870	14.9
287.16360	4.2
293.15295	12.8
301.18051	4.9
311.16373	84.8
312.16635	3.2
314.13828	6.4
324.12445	12.0
329.17453	100.0
330.17859	4.7
342.13345	21.5
347.18506	2.8
350.10312	4.6
371.18344	6.0
389.19638	6.7
399.21683	3.6
434.18054	9.3
444.17905	3.2
449.21466	4.0
462.12936	2.9
462.19040	33.5
463.19321	3.1
466.24478	8.4
554.23505	57.6
554.30249	17.0
555.23657	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	554.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33423	0.8
55.01862	1.7
55.05497	2.1
59.42482	0.7
63.16333	0.7
63.67944	0.7
65.03928	1.8
67.05499	14.8
69.03423	2.3
69.07059	1.6
71.04991	11.6
71.42635	1.1
79.05481	5.1
81.07056	13.8
82.27001	0.8
83.04957	4.4
83.08616	1.1
85.02884	0.8
85.06525	1.1
86.86350	0.7
89.06029	1.2
91.05463	8.5
93.07032	9.5
95.04961	7.8
95.08082	0.8
95.08574	4.0
97.02885	10.7
97.06500	1.8
105.07020	10.0
107.04942	1.4
107.08579	9.0
109.06516	9.3
109.10173	1.4
110.41126	0.7
111.04426	7.4
111.08092	1.3
113.06051	1.3
115.05482	1.7
117.06990	4.2
119.04926	1.0
119.08576	15.3
121.06488	4.0
121.10163	2.2
123.08086	3.1
124.03946	1.4
125.06000	1.3
128.06235	2.8
129.06975	5.5
131.08566	6.6
133.06511	2.5
133.08606	1.1
133.10124	8.2
135.04451	0.8
135.08043	27.4
137.05998	1.9
137.09650	1.3
139.07558	1.5
141.05420	1.6
141.06981	2.1
142.07797	5.6
143.08536	8.4
145.06451	2.0
145.10114	7.8
146.07263	1.2
147.08018	9.6
147.11659	1.5
149.09647	2.0
151.07581	1.4
153.07036	0.9
155.07036	25.8
155.08522	5.0
156.09317	7.7
157.06511	1.1
157.10091	19.3
158.10893	2.0
159.08049	5.3
159.11667	6.1
161.09593	7.2
163.07555	2.2
165.07005	3.3
165.09138	1.6
166.07773	1.9
167.08556	3.7
168.09361	1.8
169.10089	8.7
170.10851	5.5
171.08102	2.7
171.11664	20.4
172.08861	2.3
172.12277	1.1
173.09610	7.9
173.13258	7.0
175.11163	7.5
177.09116	2.9
178.07841	1.3
179.08536	5.6
180.09335	2.7
181.08580	3.1
181.10138	11.0
182.10823	3.1
183.08113	1.4
183.11658	9.4
184.08936	0.8
184.12408	1.1
185.09575	11.1
185.13205	11.6
186.10388	7.4
187.11153	5.8
187.14622	0.8
189.09113	1.5
189.12729	2.5
192.09375	3.0
193.10104	12.4
194.10918	6.4
195.08076	1.9
195.10025	1.5
195.11676	11.8
196.12450	1.6
197.09592	3.3
197.13254	5.0
198.10370	1.5
199.11159	13.5
199.14708	3.7
200.11922	11.2
201.12717	23.5
203.08612	1.8
203.10587	1.8
205.10214	1.9
206.10902	3.0
207.11682	11.6
208.08760	0.9
208.12407	10.3
209.09732	4.3
209.13225	20.1
210.10339	2.0
211.11163	4.8
211.14847	1.8
212.11887	1.8
213.09192	1.1
213.12737	10.8
215.14330	1.3
217.10092	2.9
217.12289	4.4
218.10907	3.5
219.11726	1.2
221.09795	1.5
221.11531	1.9
221.13486	5.1
222.10355	1.5
222.14018	2.9
223.11490	4.4
223.14783	33.2
224.11961	1.1
224.15327	1.6
225.12762	4.9
227.10698	1.6
227.14250	4.3
231.11731	1.0
232.12502	2.1
233.13203	7.4
234.13914	1.1
235.11095	3.6
235.14848	1.5
236.11873	7.4
237.12732	3.0
237.16393	6.8
239.14331	2.5
239.17867	1.1
241.15819	4.1
247.14841	4.8
249.12788	2.6
249.16168	0.9
250.11037	1.1
250.13448	5.1
251.14282	26.1
251.31648	0.9
252.14830	1.6
253.12241	2.2
253.15971	1.0
255.17484	1.3
265.15839	14.0
267.13745	2.0
267.17447	1.9
269.12335	1.3
269.15329	15.5
270.15677	1.2
271.13379	1.5
275.14227	1.8
278.13104	1.0
278.28995	0.8
283.16891	15.8
287.16473	3.6
293.15356	14.7
296.13995	2.6
301.17966	4.4
301.20837	0.8
307.51703	0.8
311.16360	100.0
312.16708	3.5
313.17883	0.9
329.17413	47.0
330.17694	1.9
331.19025	1.1
347.18506	2.8
353.17273	1.5
371.18423	7.6
389.19534	3.1
399.21603	9.7
417.22583	1.2
449.21793	0.9
498.68765	0.9
509.74368	0.9
519.25854	3.9
536.28485	1.3
554.29785	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.9
51.02370	1.5
53.03941	2.2
54.26580	0.4
54.43530	0.5
55.05506	2.1
55.05760	0.4
59.04996	2.6
65.03937	0.6
67.05508	4.7
69.07069	2.3
69.88506	1.2
69.88900	1.0
71.04994	0.7
73.02922	0.9
73.06541	1.0
77.03907	2.7
79.05489	7.4
79.19453	0.5
80.05811	0.7
81.03413	0.7
81.07053	7.0
83.08626	1.2
87.04456	1.5
89.06041	3.6
90.06370	0.5
91.05468	7.6
93.07034	5.2
95.04962	10.2
95.08597	11.1
99.07980	0.5
103.05465	5.1
103.07574	1.5
104.05754	1.1
105.03387	100.0
105.04402	5.8
105.07021	95.6
106.03720	1.4
106.07357	20.9
107.07690	1.6
107.08589	4.7
109.06547	0.8
109.10136	3.0
110.84012	0.5
111.04443	2.7
113.00000	0.9
115.05450	0.7
117.07008	2.3
119.08572	20.1
121.06506	1.5
121.10139	2.9
123.11695	0.9
127.01564	8.9
128.01924	0.7
129.06993	1.7
131.07013	0.6
131.08563	7.4
132.08878	0.7
133.08571	1.9
133.10117	28.1
134.10402	0.6
135.11668	1.3
139.01555	2.0
139.07559	0.7
141.06981	1.4
142.07800	0.7
143.08533	3.5
145.10115	6.7
147.08063	1.4
147.10101	0.5
147.10504	0.8
147.11673	6.9
148.08313	0.5
149.09669	0.8
149.13246	0.5
151.07599	0.7
153.03105	6.9
154.03415	1.3
155.03545	0.7
155.08487	2.4
156.09340	1.4
157.10141	4.3
159.11673	8.8
159.12929	0.6
160.12271	0.6
161.09676	0.6
161.13234	4.0
163.11172	0.6
165.09219	0.6
168.09326	0.9
169.10144	3.0
170.10922	1.8
171.11667	6.3
173.09628	0.7
173.13261	6.6
175.11134	0.6
179.10660	0.7
181.10086	1.3
182.10922	1.3
183.04108	0.7
183.11668	5.0
184.12502	0.7
185.09593	0.6
185.13229	5.2
187.11168	1.7
187.14781	3.2
189.16351	2.2
191.10646	1.2
195.11665	1.9
196.12473	0.6
197.05748	2.6
197.13249	7.6
199.11086	1.0
199.14815	5.0
200.93233	1.4
201.16377	3.8
205.12254	2.0
209.13266	1.0
210.13867	0.6
211.11186	0.9
211.14772	3.4
213.16345	0.6
217.12221	1.6
219.13858	0.7
221.13278	1.2
224.15517	0.7
225.12752	3.4
225.16365	1.5
226.13107	1.3
229.12213	2.5
231.13838	0.9
232.59396	0.5
233.13309	0.5
237.16400	2.0
238.17114	0.7
239.14304	0.9
239.17938	4.8
240.18367	0.7
243.13773	4.1
243.20970	1.0
251.14162	2.4
252.14706	1.8
253.15790	0.9
253.19505	8.6
255.21086	1.6
257.15353	2.0
263.17755	0.7
269.15225	0.8
271.20480	1.6
274.08612	0.5
281.19022	5.9
299.20035	46.9
300.20340	1.7
327.13098	0.6
328.17908	0.6
329.18973	0.9
330.19318	1.5
365.22964	0.8
421.23798	5.3
554.30750	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.0
57.07065	9.4
59.04996	9.7
67.05501	15.1
69.03416	16.3
69.07060	28.0
70.77061	7.2
71.04984	6.1
73.02900	9.1
73.06573	5.5
79.05467	6.4
81.03413	10.1
81.07043	31.4
83.08617	25.7
84.04502	6.2
85.02897	37.5
85.06535	4.7
87.00829	16.6
87.04467	33.4
89.06017	24.5
91.05476	12.2
93.07049	12.1
95.04948	6.3
95.08627	23.2
97.02882	8.6
97.06517	10.6
97.10165	24.6
99.08085	3.7
102.05585	4.2
105.01861	10.8
105.07013	7.8
106.06516	4.8
107.08595	8.6
109.02868	14.9
109.10137	11.6
111.11697	9.9
113.00058	5.0
119.04964	9.6
119.08597	11.7
121.02856	17.5
121.10126	10.5
123.11689	4.9
125.13263	5.2
127.01514	14.4
127.03932	20.4
130.04967	12.9
133.06511	4.6
133.08604	8.4
133.10106	11.1
135.11691	11.5
137.02289	4.7
137.13226	7.1
139.01572	4.2
139.11273	4.1
145.02817	7.2
145.04910	7.5
147.04408	7.5
147.11664	10.2
152.07077	8.6
153.01848	4.3
153.03085	8.5
153.13005	3.6
154.84358	4.7
161.13278	6.9
166.08665	5.1
217.19498	23.0
223.02400	16.4
224.02679	5.0
235.20525	33.0
239.06737	4.2
248.60704	4.3
253.21660	55.7
254.00204	4.1
261.07578	14.6
271.22675	33.1
282.04904	6.0
297.04117	5.0
297.07535	82.6
305.06284	12.5
306.10941	5.2
324.05667	7.7
345.07611	6.2
349.07202	7.3
350.07233	7.6
351.04901	12.8
352.05176	19.2
358.03748	4.9
366.13361	32.2
374.07446	7.5
391.07986	7.4
392.08282	13.0
412.13983	8.8
426.15445	55.4
462.15417	14.5
510.16653	4.7
522.18298	6.9
536.09979	5.5
554.11389	100.0
554.24750	13.6
555.10925	5.1
555.31128	5.0
580.87958	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	554.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.0
57.07065	9.4
59.04996	9.7
67.05501	15.1
69.03416	16.3
69.07060	28.0
70.77061	7.2
71.04984	6.1
73.02900	9.1
73.06573	5.5
79.05467	6.4
81.03413	10.1
81.07043	31.4
83.08617	25.7
84.04502	6.2
85.02897	37.5
85.06535	4.7
87.00829	16.6
87.04467	33.4
89.06017	24.5
91.05476	12.2
93.07049	12.1
95.04948	6.3
95.08627	23.2
97.02882	8.6
97.06517	10.6
97.10165	24.6
99.08085	3.7
102.05585	4.2
105.01861	10.8
105.07013	7.8
106.06516	4.8
107.08595	8.6
109.02868	14.9
109.10137	11.6
111.11697	9.9
113.00058	5.0
119.04964	9.6
119.08597	11.7
121.02856	17.5
121.10126	10.5
123.11689	4.9
125.13263	5.2
127.01514	14.4
127.03932	20.4
130.04967	12.9
133.06511	4.6
133.08604	8.4
133.10106	11.1
135.11691	11.5
137.02289	4.7
137.13226	7.1
139.01572	4.2
139.11273	4.1
145.02817	7.2
145.04910	7.5
147.04408	7.5
147.11664	10.2
152.07077	8.6
153.01848	4.3
153.03085	8.5
153.13005	3.6
154.84358	4.7
161.13278	6.9
166.08665	5.1
217.19498	23.0
223.02400	16.4
224.02679	5.0
235.20525	33.0
239.06737	4.2
248.60704	4.3
253.21660	55.7
254.00204	4.1
261.07578	14.6
271.22675	33.1
282.04904	6.0
297.04117	5.0
297.07535	82.6
305.06284	12.5
306.10941	5.2
324.05667	7.7
345.07611	6.2
349.07202	7.3
350.07233	7.6
351.04901	12.8
352.05176	19.2
358.03748	4.9
366.13361	32.2
374.07446	7.5
391.07986	7.4
392.08282	13.0
412.13983	8.8
426.15445	55.4
462.15417	14.5
510.16653	4.7
522.18298	6.9
536.09979	5.5
554.11389	100.0
554.24750	13.6
555.10925	5.1
555.31128	5.0
580.87958	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	554.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02371	0.4
53.03933	0.5
58.26862	0.2
61.30059	0.2
69.88916	0.6
70.48474	0.2
71.28518	0.2
77.03944	0.5
79.05497	4.2
87.04466	34.9
88.04771	0.2
91.05468	0.2
95.04968	2.4
98.23360	0.2
103.05463	4.0
103.06110	0.3
104.78790	0.2
105.07027	100.0
106.07375	1.9
106.18159	0.2
121.06515	0.3
129.07037	0.2
131.08549	0.6
185.13565	0.2
191.10634	0.4
209.13269	4.1
223.11046	0.3
225.11194	6.5
251.14381	0.6
253.15816	0.3
295.16791	0.2
301.15558	0.2
327.16556	0.7
329.17432	2.2
352.87164	0.2
355.18515	0.2
431.21976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.4
52.04316	1.2
53.03939	3.1
55.05503	8.5
65.03951	1.6
67.05502	12.5
69.07078	7.0
69.13779	6.4
70.06607	1.2
74.95308	1.3
78.03471	1.9
79.05499	13.8
80.05029	3.7
81.07051	29.3
83.04983	19.9
83.08611	1.9
91.05470	20.8
91.05997	2.0
93.07034	21.6
93.07597	1.5
95.04967	14.1
95.08605	15.3
96.04498	3.8
97.06525	1.3
103.05460	14.7
105.07025	38.0
105.07729	2.4
106.02915	5.3
107.08601	20.7
107.09280	2.1
109.06528	2.4
109.10147	8.1
111.08064	1.1
115.05465	2.9
117.07022	9.5
119.08572	23.4
121.06512	2.2
121.10168	11.6
123.11710	2.8
124.03947	100.0
128.06210	2.7
129.06993	2.9
130.07869	2.8
131.04932	36.3
131.08560	14.1
133.10115	16.3
135.08070	1.7
135.11696	4.7
143.08601	5.2
144.09326	2.4
145.10115	20.7
147.11693	13.3
149.13248	1.3
157.10146	5.0
159.11662	13.8
161.13245	5.9
169.01396	2.6
169.10109	1.5
171.11687	6.7
173.13292	4.7
175.14851	2.7
185.13333	4.5
187.14798	4.8
189.16409	2.3
197.13268	2.0
199.14847	4.7
201.16385	9.2
209.13211	1.6
211.14888	1.3
213.16409	2.7
215.18013	1.8
227.18004	2.6
276.01456	3.1
278.94675	1.5
279.20850	1.3
288.01456	2.8
345.84402	1.2
392.07602	3.8
420.64725	1.2
508.46286	1.7
554.14465	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03941	0.5
55.05506	1.5
59.43764	0.2
65.03951	0.4
67.05500	2.5
69.07063	1.4
70.06567	0.3
71.25609	0.2
78.03465	0.7
79.05493	3.4
80.05014	4.1
81.07048	5.2
83.04974	2.1
83.08607	0.5
89.06034	0.4
91.05472	4.4
93.07042	4.2
94.24925	0.2
95.04960	2.4
95.08602	3.4
96.04492	3.6
97.06544	0.5
103.05486	0.3
105.07022	9.4
106.02881	0.4
106.07370	0.3
107.08582	4.3
109.06440	0.3
109.10146	2.0
114.24737	0.3
117.07014	1.2
119.06040	0.3
119.08569	4.0
121.06530	0.4
121.10142	2.7
123.08076	0.3
123.11694	0.9
124.03943	100.0
125.04273	0.9
129.07008	1.0
130.07811	0.3
131.08565	2.0
133.08617	0.3
133.10114	5.5
135.11679	1.3
140.03400	0.3
141.06970	0.3
142.07771	0.3
143.08580	1.9
144.09341	0.5
145.10120	4.7
147.08092	0.3
147.11676	2.5
149.13242	0.6
155.08511	0.4
157.10143	1.3
159.11685	3.1
161.13257	0.9
161.73730	0.3
163.14874	0.2
169.10075	0.3
171.11661	0.8
173.13222	1.4
175.14825	0.8
183.11684	0.6
185.13228	0.7
187.14777	0.7
189.16423	0.4
197.13263	0.6
199.14809	1.0
201.16359	2.3
203.17941	0.3
209.13339	0.4
211.14828	0.5
211.20686	0.2
213.16322	0.6
223.14732	0.3
223.41907	0.2
225.16376	0.3
227.18015	0.3
253.19525	0.4
255.20935	0.3
315.23795	0.3
335.27386	0.3
359.90305	0.3
536.33563	0.3
554.20917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1285
Annotation	2,3-Dihydroochnaflavone 7-O-methyl ether
Peak:m/z	Relative Intensity
61.84268	1.5
68.99784	11.7
72.69947	2.0
87.26659	1.8
95.04958	5.9
98.93806	1.6
103.05461	46.9
103.06106	3.1
105.03381	12.5
105.04477	1.9
105.07012	3.4
115.05472	3.9
116.06245	3.1
117.10952	1.6
127.73589	2.0
131.04919	100.0
132.05255	2.9
135.42453	2.0
138.01758	1.9
139.00275	2.0
155.04858	1.9
157.06564	2.7
167.02086	2.5
168.02921	2.8
169.01312	4.2
171.04384	3.4
172.05203	3.7
180.02939	4.8
183.04407	3.8
185.00864	4.8
192.02885	5.0
194.02090	4.2
197.05905	3.6
199.02342	1.8
211.02419	3.7
218.04431	2.8
235.02274	2.3
240.04150	4.7
241.04800	3.1
250.01108	5.3
253.05089	3.0
264.04233	8.8
266.05753	8.7
267.06317	2.1
268.03845	2.0
269.04428	5.5
270.05164	29.4
270.07672	2.9
271.05954	6.9
278.05695	17.5
279.06485	4.1
285.07559	70.2
286.04626	1.7
286.07883	1.9
293.04553	2.7
294.05252	21.2
295.05920	6.5
296.03122	12.6
296.09274	2.2
306.05264	5.5
309.07614	17.4
311.05487	41.8
322.04434	12.3
323.05457	7.3
329.06467	6.9
334.04700	8.9
335.05475	3.3
337.07043	54.4
351.04855	1.9
352.05768	2.9
362.04214	4.6
363.04874	22.5
381.06107	5.3
390.03522	10.4
391.04462	3.1
405.06039	85.1
407.07431	2.5
416.07468	4.9
433.05548	72.1
434.06140	3.1
451.06595	58.5
452.07156	2.3
469.07449	7.4
491.11166	7.7
509.12180	19.5
512.13617	12.7
519.10193	3.5
520.14069	18.6
537.11749	18.0
538.15094	8.3
555.13135	2.3
555.24316	5.9
556.16187	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	555.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84268	1.5
68.99784	11.7
72.69947	2.0
87.26659	1.8
95.04958	5.9
98.93806	1.6
103.05461	46.9
103.06106	3.1
105.03381	12.5
105.04477	1.9
105.07012	3.4
115.05472	3.9
116.06245	3.1
117.10952	1.6
127.73589	2.0
131.04919	100.0
132.05255	2.9
135.42453	2.0
138.01758	1.9
139.00275	2.0
155.04858	1.9
157.06564	2.7
167.02086	2.5
168.02921	2.8
169.01312	4.2
171.04384	3.4
172.05203	3.7
180.02939	4.8
183.04407	3.8
185.00864	4.8
192.02885	5.0
194.02090	4.2
197.05905	3.6
199.02342	1.8
211.02419	3.7
218.04431	2.8
235.02274	2.3
240.04150	4.7
241.04800	3.1
250.01108	5.3
253.05089	3.0
264.04233	8.8
266.05753	8.7
267.06317	2.1
268.03845	2.0
269.04428	5.5
270.05164	29.4
270.07672	2.9
271.05954	6.9
278.05695	17.5
279.06485	4.1
285.07559	70.2
286.04626	1.7
286.07883	1.9
293.04553	2.7
294.05252	21.2
295.05920	6.5
296.03122	12.6
296.09274	2.2
306.05264	5.5
309.07614	17.4
311.05487	41.8
322.04434	12.3
323.05457	7.3
329.06467	6.9
334.04700	8.9
335.05475	3.3
337.07043	54.4
351.04855	1.9
352.05768	2.9
362.04214	4.6
363.04874	22.5
381.06107	5.3
390.03522	10.4
391.04462	3.1
405.06039	85.1
407.07431	2.5
416.07468	4.9
433.05548	72.1
434.06140	3.1
451.06595	58.5
452.07156	2.3
469.07449	7.4
491.11166	7.7
509.12180	19.5
512.13617	12.7
519.10193	3.5
520.14069	18.6
537.11749	18.0
538.15094	8.3
555.13135	2.3
555.24316	5.9
556.16187	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	555.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.4
65.65511	0.4
68.05022	1.6
68.99746	1.2
69.85539	0.7
79.01819	0.4
80.80832	0.3
84.04494	1.7
93.48978	0.3
96.04440	1.0
98.22665	0.3
103.05452	2.9
105.03259	0.3
105.07071	0.4
115.05463	2.9
117.05697	0.6
118.06451	0.6
129.07016	0.5
130.06519	11.4
131.04927	6.7
138.01820	0.5
140.03371	0.8
140.04936	0.8
142.05551	0.4
142.06511	5.0
144.04446	2.3
154.06519	1.9
155.05971	1.1
156.06749	1.7
156.08052	3.1
157.07602	18.3
158.08083	0.6
166.01369	0.5
166.06485	1.2
167.05977	0.4
167.07254	0.4
168.02861	2.3
168.04385	1.5
168.06749	0.5
168.08041	1.6
169.06343	0.5
169.07605	6.7
172.08635	0.5
178.01395	1.9
178.06454	0.5
179.06027	2.4
180.02995	0.4
181.01213	0.6
181.07588	5.7
182.06050	0.5
183.05487	0.5
184.07579	3.2
185.07016	0.8
190.01428	1.6
192.02884	2.2
192.06696	0.8
193.07603	6.0
195.05510	0.4
195.09137	5.0
196.08766	0.4
197.07043	0.4
199.02419	0.6
201.10196	1.9
203.05992	0.6
205.07593	2.1
207.05513	5.3
208.02382	2.6
209.07092	5.6
221.07082	11.7
222.05440	0.9
223.08693	3.1
225.06682	0.5
231.05522	0.6
233.07088	1.7
235.04942	3.0
237.06564	1.4
237.08881	0.6
239.04456	0.9
240.11266	2.2
244.02289	0.4
249.06612	8.3
250.05008	0.7
253.06020	1.1
257.05554	1.9
261.06509	1.4
263.04553	0.6
265.05997	0.6
270.07620	0.4
272.09076	2.4
277.06052	5.9
282.07507	0.8
283.05939	3.0
287.04486	1.8
289.06100	0.6
293.05499	1.6
294.07639	0.9
295.07022	0.6
296.09100	1.1
305.05530	33.1
306.05908	1.5
307.07138	0.5
322.07217	0.4
323.06589	56.3
324.06735	1.8
346.08112	0.7
388.09207	1.1
397.11850	1.3
409.11804	100.0
410.12180	4.4
411.13315	1.9
413.14774	1.0
416.07458	1.0
425.14001	0.5
428.16052	2.9
450.14450	0.5
492.15646	0.9
494.15393	0.4
509.18170	0.4
511.19693	0.7
512.13269	1.9
520.13800	3.1
538.15082	1.2
555.19440	0.4
556.15930	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	555.2072
Annotation	(-)-Massoniresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.61922	1.0
55.01868	2.7
56.05047	1.2
61.02918	1.4
67.05499	1.1
68.99784	1.4
69.03423	4.2
69.31905	5.6
79.05495	14.0
79.65190	1.2
80.87748	1.1
81.03384	1.2
81.07047	11.4
83.04986	2.3
85.02897	9.7
91.05491	2.0
93.07045	2.3
95.04974	4.3
95.08599	1.5
97.02880	2.7
97.06516	4.4
99.04468	1.4
100.07653	1.2
103.03926	1.0
103.05528	1.9
105.04504	1.1
105.07019	1.8
107.04950	3.2
109.02896	1.7
117.07020	1.2
119.04984	1.8
119.08601	2.0
121.02864	1.3
123.04388	2.3
125.06000	9.8
125.09637	2.0
127.03895	1.8
130.80014	1.2
131.04918	4.1
140.04710	1.5
145.05009	1.7
147.04440	2.7
149.05939	1.7
151.03867	4.1
151.07565	1.5
159.08057	3.3
169.06429	1.3
173.05974	4.4
175.03972	1.9
179.07013	5.7
179.08449	1.5
181.04910	1.8
183.06482	2.0
187.03940	2.0
187.07550	7.2
191.03389	2.5
193.04955	1.3
201.05544	2.2
204.04189	1.9
205.05006	2.3
215.07051	10.2
217.04990	2.0
219.06558	4.8
221.08011	1.7
223.07603	1.8
223.11118	3.2
227.06975	1.2
228.06502	2.0
232.07285	23.7
233.08058	18.4
237.09312	1.5
237.12654	1.3
241.04843	1.8
245.08104	4.2
251.08812	1.9
251.11073	1.9
253.12157	2.1
265.08548	1.6
265.12262	3.6
269.04453	3.5
269.11685	3.1
279.10043	1.4
281.11749	2.1
283.13257	3.2
293.11731	3.5
295.13324	2.1
297.11182	4.6
299.09259	2.4
299.12537	2.5
311.09406	1.8
311.12720	7.4
315.12265	20.9
321.11343	1.8
339.12158	5.8
357.13284	17.6
357.42770	1.2
363.78168	1.4
375.14343	100.0
376.14825	1.8
393.15350	19.5
436.06830	1.3
556.12286	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	555.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85328	1.1
69.17130	8.1
75.89571	1.4
103.05473	2.3
104.10815	1.4
110.91338	1.3
131.04918	4.7
199.02536	1.2
238.26102	1.6
288.50891	1.6
555.29285	100.0
556.29602	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	555.2931
Annotation	Acrovestone
Peak:m/z	Relative Intensity
57.03424	1.6
57.07074	5.2
58.30660	1.1
61.97526	1.2
67.05496	2.6
69.75587	2.8
71.08627	4.6
73.87189	1.3
73.91697	1.0
81.07075	2.0
83.08636	1.4
85.10167	2.7
95.08610	5.0
98.98479	18.5
103.05491	2.1
105.07077	2.9
109.02905	1.2
109.10178	1.8
124.03912	1.3
131.04938	4.3
131.07834	1.3
155.01021	20.8
169.01335	1.8
239.23743	2.8
283.06033	2.4
313.27356	11.9
317.06509	2.2
497.26376	1.6
555.29279	100.0
556.29364	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	555.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.6
56.07994	1.3
57.03432	4.7
57.07075	28.9
66.77746	1.2
67.05494	9.4
69.07071	3.5
69.88918	2.9
71.08628	24.3
81.03416	5.3
81.07048	12.2
83.08606	8.7
85.10188	9.9
93.07014	1.5
95.08603	16.9
95.10206	1.5
97.10175	4.4
98.22781	2.7
98.98463	86.5
99.04425	2.2
103.05473	1.9
109.02903	5.7
109.10164	6.7
116.99535	1.6
123.11707	2.1
131.04930	3.6
137.13312	1.4
155.01036	100.0
198.90424	1.3
221.22597	2.0
228.87102	1.6
239.23647	8.5
243.02682	1.3
313.27335	59.2
317.06256	6.2
330.91592	1.2
393.23953	5.7
401.28900	4.2
428.74246	1.5
481.95270	1.7
537.28387	2.5
577.62500	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01905	0.9
55.01865	1.3
57.07059	3.2
65.03935	2.2
68.99793	6.9
70.06581	1.8
71.08608	1.7
71.41547	0.9
71.71584	0.8
77.03895	1.7
79.05502	2.9
91.05478	11.4
92.01353	0.8
92.99758	1.4
95.04956	3.8
103.05464	34.6
104.10749	1.8
105.03408	2.3
105.04552	1.6
105.07022	2.2
107.04951	34.5
107.05685	1.8
110.02387	3.0
114.07246	7.3
115.05449	1.1
119.04942	13.6
120.14985	0.9
121.02882	1.4
122.02375	0.8
123.04407	1.9
131.04922	100.0
132.05211	2.1
133.06534	0.8
135.04407	16.4
137.02347	0.8
138.01855	5.3
140.03372	1.0
147.04401	8.3
148.00296	1.1
150.01859	2.9
152.03468	2.7
153.01823	1.9
154.01395	0.9
155.03430	1.7
155.04883	1.4
156.02919	1.3
157.06503	1.2
159.04385	1.3
161.02367	3.5
161.05980	9.1
163.03897	64.5
165.01793	1.3
166.01381	6.2
167.02132	2.0
168.02921	5.2
169.01326	3.1
171.04353	3.9
173.05977	1.7
174.01903	1.0
178.01349	36.7
180.02917	4.6
184.02452	2.3
184.05182	1.4
184.07408	2.4
185.03235	1.2
185.05981	2.0
187.03891	72.5
188.04257	1.5
192.02887	5.1
194.04480	1.2
195.08081	1.1
196.02431	5.4
199.03868	4.4
202.01387	2.8
204.02858	1.8
206.00818	5.8
208.02510	1.4
211.03969	1.6
213.05499	3.6
215.03416	1.9
215.07076	1.5
218.00830	1.4
220.02425	4.3
222.00415	4.4
223.07607	1.1
224.01881	35.4
225.05402	2.1
229.04936	12.2
230.00908	2.7
231.02963	4.4
239.03468	1.8
240.01384	1.9
240.06627	2.0
241.04933	8.6
241.08562	1.2
242.00853	1.3
242.08125	1.2
244.02396	1.6
246.00299	1.7
246.03954	2.0
248.01868	4.3
249.99741	1.5
251.06992	5.9
254.04405	3.9
255.06496	0.9
256.06070	2.7
256.26300	2.8
257.04462	12.3
257.08188	1.2
259.06067	1.3
262.03442	1.2
264.06747	1.2
268.00949	9.6
268.06055	2.7
269.04419	14.8
270.00458	2.0
270.04993	1.8
270.07678	5.5
271.08444	1.5
272.02005	3.4
272.05542	4.4
272.09210	2.7
273.07593	1.7
273.99844	6.5
274.03653	1.2
282.03943	2.6
282.07590	8.2
282.25983	22.5
283.04813	3.0
283.26367	2.6
284.05621	5.1
285.04068	0.9
288.01453	3.2
290.02805	4.7
292.00763	4.2
292.06009	1.5
296.05518	2.8
296.09021	1.0
297.99777	3.0
300.04965	6.8
301.05759	7.1
304.05911	1.0
306.02606	1.2
312.05017	1.0
314.06512	1.3
316.00815	12.4
320.05295	1.2
326.06619	5.5
332.05499	2.3
334.01913	6.9
336.05072	1.8
338.06750	1.6
342.06027	2.3
350.06589	2.0
352.08246	1.9
354.06006	4.9
360.04938	3.9
364.04532	2.0
366.06042	1.1
376.08087	1.9
378.06171	8.1
388.04587	4.5
390.05780	1.5
392.07748	1.6
394.09250	8.5
403.20978	1.0
406.05237	4.8
416.03864	10.0
420.07074	26.0
421.07349	1.6
434.04724	7.1
436.07028	1.1
438.08084	2.9
452.06165	7.2
492.10654	3.7
494.12234	1.3
510.11804	16.8
520.10223	22.6
521.10809	2.0
538.11298	77.5
539.11865	7.6
555.52612	8.1
556.12299	63.1
556.52924	2.7
557.12836	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	556.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27012	0.7
68.05034	1.1
68.46661	0.8
68.99786	2.9
77.03944	1.1
91.05479	3.3
92.99734	0.9
95.04956	2.9
96.04491	1.0
103.05460	39.7
105.03396	0.9
105.04485	1.9
105.06979	0.8
107.04948	3.3
108.12592	0.7
119.04942	2.1
122.02377	0.9
131.04918	100.0
132.05270	2.0
135.04382	1.7
138.01881	2.4
145.06461	0.8
147.04420	2.8
148.00267	1.0
150.01775	0.9
152.03378	2.3
153.01799	2.2
156.02937	0.7
161.02298	0.9
162.01877	0.8
163.03885	6.9
166.01422	4.4
167.02164	2.2
168.02846	1.3
169.01311	1.2
171.04347	1.2
172.69196	0.9
178.01331	26.9
180.02901	11.2
181.01233	1.0
183.04430	1.0
184.02519	1.4
185.03198	1.1
187.02330	1.6
187.03891	21.5
191.06982	1.5
194.04491	1.1
196.02356	2.4
198.03978	2.2
200.19997	0.9
202.01309	1.5
206.00844	9.5
207.02902	2.5
208.02367	1.9
218.00859	2.3
222.00359	1.1
224.01852	17.4
229.04956	1.3
230.00835	2.6
231.02814	2.2
234.00369	2.4
236.06900	0.9
239.06995	0.9
240.06580	2.3
243.11967	0.7
249.99861	2.4
250.05162	0.8
252.01378	1.4
254.08209	0.7
255.02887	2.6
255.06438	1.1
257.04742	0.7
257.08075	1.2
264.06577	1.0
268.00848	7.2
268.06085	4.3
269.04605	1.0
270.00278	1.4
270.07544	3.6
271.05853	1.2
271.08414	1.8
273.03900	1.5
273.99716	3.1
276.01428	2.4
282.07541	5.3
284.09155	6.9
284.12161	1.1
285.07394	1.3
285.99734	4.0
292.06201	0.9
301.99258	3.6
304.00818	3.4
306.07770	1.3
310.07092	2.0
316.00784	2.2
320.00381	1.9
334.01794	1.6
336.04858	1.3
338.06546	4.4
347.99786	1.7
354.06033	3.2
362.06528	0.9
366.05896	1.8
374.06671	0.9
378.06207	4.0
390.05893	2.9
392.03995	2.4
402.06009	1.1
406.05621	4.0
408.07184	2.3
420.07132	4.4
424.06619	2.0
426.07935	2.0
434.05032	9.5
452.06079	29.6
470.07108	3.7
492.10645	2.1
494.12372	3.5
510.11880	1.0
520.10370	4.2
538.10931	9.4
556.12170	21.9
556.29071	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	556.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02094	0.2
53.03940	1.0
55.01861	0.5
55.05491	0.4
55.31094	0.3
57.03432	0.6
57.07076	0.7
59.05006	0.7
61.02934	0.4
63.09160	0.2
68.99796	0.4
69.03419	3.9
69.56123	1.1
70.04070	100.0
71.04404	0.3
71.05017	0.2
71.08637	0.3
73.02908	0.7
77.01512	0.3
81.02952	0.4
81.03407	3.3
83.08619	0.9
85.02892	3.6
87.00825	2.2
97.02881	2.6
99.04436	0.9
105.01864	1.0
109.02866	2.5
115.05414	0.3
116.06248	0.3
117.01830	0.6
117.54078	0.3
125.01541	4.9
127.03893	3.4
139.03113	0.8
145.02814	0.5
145.04961	0.7
147.02948	0.3
151.03088	2.0
159.02869	1.3
165.04666	1.0
177.05479	0.9
215.14621	0.3
231.04869	0.3
290.14169	1.5
291.25171	0.3
306.65808	0.3
308.15192	75.2
309.15500	2.6
396.70819	0.3
556.20428	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	556.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03943	0.9
64.65899	0.2
66.62775	0.2
66.68709	0.2
67.05511	0.3
78.03450	1.5
79.04211	0.5
80.05013	5.4
89.06026	0.3
91.05486	0.7
93.07033	0.5
95.04968	1.7
95.08591	0.3
96.04491	4.7
103.05485	0.4
105.03385	10.9
105.04516	0.9
105.07012	0.9
106.02404	0.2
106.02933	2.8
107.08564	0.2
117.07038	0.5
119.08589	2.2
124.03944	100.0
124.58064	0.3
125.04282	1.6
129.07002	0.5
131.08566	0.8
132.09337	0.5
133.10135	0.3
135.08081	0.3
142.07802	0.3
143.08563	0.4
145.10126	0.3
147.11531	0.3
155.08556	0.3
157.10107	0.7
159.08075	0.6
159.11678	0.3
167.08597	0.4
169.10062	0.6
170.10857	0.4
173.09645	0.4
179.08519	0.6
180.75008	0.2
181.10129	0.6
183.11693	0.5
184.07623	0.4
188.95381	0.2
192.09216	0.3
193.10181	0.4
194.10837	0.4
201.12639	0.4
207.11598	0.4
209.13261	0.6
220.99727	0.2
221.13333	0.3
223.14717	0.4
228.06529	1.0
255.13808	0.6
265.15723	0.3
269.15396	0.8
311.16327	0.9
443.43079	0.2
556.23151	10.4
557.22504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
53.03938	0.3
67.05490	0.3
69.60883	0.4
74.49439	0.1
77.03876	0.1
78.03452	1.6
79.04220	0.1
79.05492	0.3
80.05013	5.0
81.07052	0.3
88.70303	0.1
89.06029	0.1
91.05470	0.5
93.07035	0.2
95.04976	0.7
95.08589	0.2
96.04489	3.9
96.31046	0.1
97.02870	0.1
97.04785	0.1
98.23519	0.1
105.03387	3.3
105.04523	0.2
105.07014	0.6
106.02913	3.2
106.03655	0.2
107.08615	0.2
109.10118	0.1
111.04430	0.1
117.07010	0.5
119.08562	1.9
124.03944	100.0
125.04286	1.1
128.06233	0.1
129.07030	0.1
131.08571	0.3
132.09373	0.8
133.10133	0.3
133.39520	0.1
137.05983	0.1
140.03407	0.2
142.07724	0.2
143.08560	0.2
145.10098	0.3
155.08517	0.2
156.09256	0.2
157.10178	0.5
159.08035	1.1
159.11667	0.3
165.06949	0.1
167.08577	0.2
169.10176	0.3
170.10925	0.1
171.11646	0.4
173.09625	0.4
173.13234	0.3
174.10397	0.3
179.08556	0.3
181.10152	0.4
183.11760	0.2
185.09550	0.1
185.13255	0.2
186.10355	0.1
187.11157	0.1
192.09198	0.1
193.10124	0.6
194.10861	0.3
195.11678	0.3
197.13284	0.2
201.12709	0.5
207.11665	0.7
208.12439	0.4
209.09476	0.1
209.13322	0.6
219.11726	0.2
221.13184	0.3
223.14784	0.7
228.06578	0.4
233.13361	0.2
234.14069	0.2
235.11255	0.1
235.14818	0.1
236.11879	0.1
247.14870	0.3
251.10606	0.2
251.14331	0.5
253.12132	0.2
260.12003	0.1
265.15924	0.2
267.17453	0.1
269.15335	0.6
274.65103	0.1
275.14410	0.1
283.16827	0.2
293.15366	0.8
311.16376	1.6
314.18433	0.1
455.20132	0.1
556.23242	11.9
557.22729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
59.43941	1.2
62.15318	1.1
63.62109	1.1
65.03940	2.5
69.03426	1.8
69.31387	3.7
69.31802	2.4
70.06601	9.5
72.08147	2.9
78.49869	1.2
79.05476	3.8
81.03414	1.2
81.07006	1.6
84.08127	2.0
85.02902	5.5
86.09690	2.6
91.05472	31.0
93.07034	2.0
94.04129	1.5
95.04980	2.2
96.78638	1.2
97.02869	1.3
97.06490	1.4
103.05464	42.5
105.03381	7.7
105.04501	1.6
105.07028	16.3
107.04946	3.5
109.06506	5.4
115.05439	4.6
117.07024	1.5
119.04941	41.4
119.08592	1.3
121.06486	4.0
122.03638	3.5
122.07251	1.3
123.08055	2.9
127.03919	2.9
129.06940	2.1
130.04135	2.0
131.04918	100.0
131.74104	1.1
133.02879	6.6
133.06483	16.1
136.06152	1.8
137.05969	58.6
138.06335	1.2
145.06409	1.7
146.07262	1.3
147.04404	15.4
147.08069	2.4
149.05991	4.1
151.07530	17.1
157.06464	1.3
159.08073	2.8
161.05977	53.5
162.06699	5.9
163.07530	47.7
165.05428	4.3
172.05177	1.3
175.07547	16.3
179.07036	17.8
181.08597	1.2
187.07549	10.7
189.09131	1.7
190.06285	1.4
191.08507	1.8
193.08583	5.0
205.08554	8.6
217.08577	2.6
219.08006	2.7
231.08058	1.5
235.09665	2.6
247.07541	2.1
251.10655	3.3
270.85880	1.5
279.10205	4.9
282.08868	1.4
291.10141	4.3
296.10587	1.4
309.11111	6.3
311.12814	10.8
323.12680	4.3
329.13779	2.5
341.13766	5.7
362.60379	1.1
556.20209	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	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87066	1.5
55.01862	4.0
55.22289	1.7
61.02902	2.0
66.92349	1.9
69.03419	7.8
69.25971	10.6
70.06593	5.5
71.05026	2.2
79.05466	2.6
81.03396	7.4
84.22611	1.8
85.02903	19.7
87.00818	4.3
91.05473	5.7
93.07039	4.2
95.04964	3.4
97.02888	10.3
98.23415	3.5
105.01849	5.0
107.04933	3.9
109.02850	6.9
109.06550	2.2
109.10144	1.8
115.05426	4.7
117.07004	3.2
119.04939	3.0
122.03645	5.2
125.06078	2.6
127.03889	8.1
129.06979	9.7
131.04927	5.4
137.05969	100.0
143.04903	7.8
144.05759	2.1
145.04967	5.7
145.06430	3.1
147.04453	3.3
149.05980	3.2
151.03914	11.2
151.07558	6.3
153.05482	2.9
157.06502	8.8
160.05194	14.0
161.05937	3.0
163.07489	2.2
172.05096	3.7
174.06776	5.5
175.07538	77.3
177.05547	2.9
179.07019	3.7
181.04929	3.7
181.08533	1.9
187.07523	51.1
189.09084	15.2
191.06963	2.5
199.07559	2.7
202.07779	1.8
203.08595	5.5
205.08559	16.5
207.06453	4.0
209.08058	3.1
211.07597	4.4
216.08882	2.7
217.08626	16.8
219.08023	4.7
219.10107	4.9
220.08705	2.1
227.06998	4.0
231.08005	4.1
232.08986	3.0
235.09583	14.5
238.42035	2.0
239.06975	2.5
248.08276	8.0
251.10577	3.0
261.09094	3.6
263.10675	7.9
265.08490	3.6
270.08878	6.8
271.09628	8.1
276.07718	6.3
279.07275	1.8
279.09995	10.2
283.09595	2.7
291.10086	14.8
292.10736	2.3
293.08054	2.6
296.10385	6.4
305.11844	1.8
308.10446	3.8
311.12735	20.1
313.14603	2.7
323.12769	36.0
325.20209	1.8
341.13806	54.5
359.14825	6.6
370.81232	2.1
373.02255	2.4
375.00232	3.6
377.16046	4.5
393.15048	2.0
394.15216	2.9
422.08429	2.1
452.97592	4.2
470.98593	4.1
537.99219	1.9
556.16479	1.8
557.18152	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	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
53.62856	0.3
55.01876	0.8
65.03938	2.2
67.05495	1.3
67.23314	0.3
69.03427	2.1
69.29736	1.7
71.05011	0.4
78.61615	0.3
79.05501	0.6
81.03415	4.2
81.07049	0.4
85.02901	2.6
85.06547	1.2
91.05499	0.6
93.03407	2.4
93.07050	0.5
95.04975	0.7
97.02890	1.7
99.04504	0.5
105.07011	0.4
108.02095	0.8
109.02879	1.5
110.09724	0.5
111.04428	3.2
113.05998	0.4
119.04951	0.4
121.02873	0.4
121.10120	0.6
125.05991	4.4
125.06821	0.5
127.03922	1.1
131.08571	0.8
138.09171	0.5
141.05452	1.4
147.04408	1.5
148.04765	0.5
149.05934	0.4
149.09602	0.7
151.03903	100.0
151.04947	5.3
152.04250	1.3
166.08655	0.7
169.04967	9.9
180.15991	0.3
191.10686	0.9
209.11751	1.3
227.12779	1.2
271.06161	0.9
295.08167	3.7
313.09161	11.3
375.64651	0.4
381.09665	0.4
459.25211	0.4
464.17838	0.5
492.17636	0.7
556.09961	0.7
556.23865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.6
51.02372	0.7
52.01908	0.2
53.03933	0.3
55.01860	0.3
55.05508	0.5
57.04072	0.2
65.03913	0.3
66.54480	0.2
67.05496	1.5
67.24734	0.2
69.03413	0.3
69.07056	0.6
69.35538	0.2
69.70943	0.5
75.40584	0.2
78.03004	0.5
78.03445	7.4
79.04198	0.3
79.05480	0.9
80.05009	5.0
81.03429	1.9
81.07046	1.4
81.80983	0.2
83.04958	0.4
91.05465	2.1
93.07012	1.9
95.04958	0.8
95.08584	1.8
96.04478	5.6
97.02892	0.3
97.06503	0.3
105.07017	3.3
106.02905	19.7
107.03215	0.5
107.04977	0.3
107.08569	2.4
109.02857	0.3
109.06519	0.7
109.10138	0.7
111.04446	1.4
115.05373	0.3
117.06994	1.0
119.08561	4.7
121.06511	0.6
121.10130	2.0
123.08076	0.6
124.03938	100.0
125.04269	1.4
125.05973	0.3
127.03887	1.5
128.06250	0.6
129.06996	0.9
130.07726	0.4
131.08563	2.8
133.06500	0.7
133.10114	3.7
134.07242	0.6
135.08031	0.8
135.11642	0.4
139.07603	0.3
141.06981	0.5
142.07767	1.2
143.08519	2.1
144.09360	0.4
145.06453	0.2
145.10118	5.4
147.08038	0.7
147.11681	1.9
149.09598	0.8
151.07509	0.3
153.06932	0.3
154.07724	0.3
155.08601	1.3
156.09311	1.3
157.10130	3.3
158.10909	0.8
159.08018	0.8
159.11687	3.0
161.09627	1.0
163.07587	0.4
165.06953	0.3
166.05048	0.4
166.07687	0.3
167.08562	0.6
168.09274	0.5
169.10126	2.5
170.10870	1.4
171.08017	0.4
171.11641	2.2
172.12395	1.1
173.09676	1.4
173.13229	2.9
175.07622	0.2
175.11157	0.6
175.14787	0.4
177.09145	0.3
178.07729	0.3
179.08585	0.6
180.09407	0.3
181.10094	1.0
182.10910	0.9
182.27831	0.2
183.08035	0.4
183.11671	3.8
185.09604	0.5
185.13223	1.9
187.11218	1.3
187.14799	5.1
188.11961	0.8
188.15376	0.4
189.09056	0.5
189.12703	0.3
192.09274	0.5
193.08568	0.3
193.10060	1.1
194.10872	0.4
195.11636	1.5
196.12450	0.6
197.09593	0.6
197.13237	3.1
198.13992	2.3
199.11246	0.3
199.14746	0.8
201.09103	0.4
201.12764	1.0
203.14288	3.1
205.10136	0.3
205.15834	0.8
206.10847	0.3
207.11711	1.4
208.12498	0.5
209.13275	1.4
210.13896	0.3
211.11186	0.8
211.14774	1.5
213.09158	0.4
213.12759	0.3
215.10651	0.8
215.14270	2.0
216.15108	0.9
217.12425	0.2
219.11584	0.5
220.12424	0.5
221.13237	1.1
223.14853	0.7
225.12743	0.9
225.16339	1.1
229.12257	0.3
229.15901	0.3
231.10115	0.4
234.13992	0.7
235.11203	0.6
235.14743	1.4
236.15645	0.3
237.12636	0.3
239.10638	0.5
239.14235	0.7
239.17996	0.9
249.16348	1.6
251.17964	0.3
253.12241	0.8
253.15689	1.3
255.13846	0.3
257.15320	0.8
267.14084	0.4
267.17377	2.0
267.60867	0.3
269.15448	0.4
271.16895	1.1
277.15848	0.9
285.18381	1.6
295.16873	7.5
296.17377	0.3
310.17944	0.4
313.17926	10.6
314.18243	0.3
331.19034	0.9
355.19019	0.4
373.19806	0.5
418.20102	0.8
430.50519	0.3
436.21036	0.9
478.21948	0.8
496.16736	0.4
496.23270	5.4
538.23798	0.3
556.25317	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	556.2539
Annotation	Nicotaxine
Peak:m/z	Relative Intensity
50.01265	0.4
51.02372	0.7
53.03949	0.5
55.05496	0.9
67.05484	2.0
69.03403	0.9
69.07046	1.2
69.36739	2.6
78.03448	12.3
79.05479	2.4
80.05009	4.2
81.03416	3.6
81.07030	2.6
83.04964	0.6
85.02917	0.5
85.06551	0.4
91.05482	3.1
93.07040	2.8
95.04955	1.4
95.08610	2.9
96.04484	4.0
97.02876	1.7
97.06512	0.9
105.07018	6.2
106.02905	21.3
107.04959	0.5
107.08598	2.4
109.06509	1.8
111.04411	0.7
117.07013	1.5
119.08559	7.1
121.06549	0.6
121.10119	2.1
123.08051	1.0
124.03941	82.4
125.04232	0.6
125.06001	1.2
127.03923	1.6
128.06213	1.3
129.07005	1.6
130.07791	0.8
131.08545	4.1
133.10138	4.1
135.08041	2.1
141.06931	1.0
142.07742	1.3
143.08542	3.2
144.09276	0.9
145.10101	7.9
147.08067	1.0
147.11710	3.7
149.09642	1.1
151.07626	0.5
153.06960	0.6
155.08521	1.7
156.09326	2.8
157.10115	6.5
158.10915	0.6
159.08058	2.1
159.11696	5.5
161.09618	1.3
161.13312	0.6
167.08568	0.9
168.09322	0.6
169.10094	4.2
170.09621	0.6
170.10857	3.1
171.11678	6.0
172.08800	0.7
172.12445	1.3
173.09593	4.3
173.13252	3.3
174.10376	0.7
175.11140	1.1
175.14761	0.6
177.16368	0.5
179.08508	1.6
180.09372	0.6
181.10086	2.4
182.10983	1.3
183.11682	4.5
185.09608	1.1
185.13269	3.8
186.10202	0.5
187.11203	2.2
187.14827	5.9
188.11913	0.8
189.12723	1.7
193.08597	0.5
193.10155	1.9
194.10892	1.0
195.11676	2.0
196.12482	2.3
197.09654	0.6
197.13226	3.1
198.14081	1.2
199.11295	0.6
201.12723	2.0
203.14290	1.0
207.11694	1.8
208.12503	0.8
209.13271	1.9
210.10280	0.6
210.14038	0.7
211.11299	0.7
211.14751	3.2
213.12814	0.6
213.16394	0.8
215.10764	0.8
215.14291	4.4
220.12616	0.9
221.13219	0.7
223.14793	1.2
225.12773	1.4
225.16376	2.0
229.12294	0.8
229.15868	2.0
231.10205	0.6
235.14821	2.6
236.15485	0.7
239.14397	1.0
239.17989	0.6
246.11414	0.6
249.16368	0.8
253.15909	2.0
255.13968	0.8
257.11667	0.6
267.17590	1.1
271.16895	1.3
277.15802	0.5
280.14377	0.7
285.14944	1.1
285.18320	1.0
295.16919	2.1
298.15753	0.6
313.14346	0.6
313.17935	10.1
314.18146	0.8
331.18890	0.7
338.81900	0.5
373.19971	5.1
391.44540	0.5
445.47980	0.5
496.23553	0.7
556.25354	100.0
557.25830	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	556.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01890	0.2
53.03963	0.2
55.01864	0.3
66.56722	0.1
67.05154	0.1
67.05495	0.8
67.60674	0.1
68.53009	0.2
68.99767	0.2
70.37788	0.3
78.03453	0.8
80.05013	4.1
81.07043	0.4
81.78825	0.1
90.28954	0.1
91.05470	0.6
93.07059	0.2
95.04970	0.4
96.04489	2.7
97.02891	0.4
103.05460	3.6
105.03420	0.2
105.07049	0.4
106.02886	0.4
107.08620	0.2
115.05450	1.2
117.73467	0.2
119.08579	1.4
124.03944	100.0
125.04262	1.2
129.07018	0.2
131.04915	8.6
132.05266	0.2
133.06508	0.2
133.10156	0.3
138.01843	0.4
140.03386	0.3
141.05457	0.4
142.07843	0.2
143.04919	0.3
143.08571	0.2
152.03427	0.2
155.07004	0.7
155.08401	0.2
157.10123	0.4
159.11687	0.2
161.09743	0.2
163.91457	0.1
164.03351	0.1
167.02119	0.3
167.20410	0.2
168.02924	0.6
169.01335	0.2
169.10143	0.4
171.11661	0.3
173.13211	0.4
174.01898	0.3
178.01360	0.6
180.02950	0.3
181.10097	0.2
183.11644	0.2
185.03139	0.2
185.13226	0.2
187.03909	0.4
189.05550	0.3
192.02899	1.2
193.10170	0.2
197.05997	0.2
197.13271	0.5
204.02881	0.2
207.11583	0.3
209.13239	0.3
211.14864	0.3
216.02776	0.3
218.00861	0.4
218.04485	0.5
220.02437	0.6
220.12422	0.7
221.13191	0.2
225.16376	0.2
228.02895	0.4
235.14816	1.0
241.04970	0.2
244.02399	0.2
244.61566	0.2
246.03899	0.4
248.01881	0.2
249.16432	0.3
253.15860	0.2
257.07977	0.3
270.07639	0.2
271.17090	0.2
272.09085	0.3
274.03354	0.2
278.08215	0.2
282.07571	0.5
286.03525	0.3
295.16949	0.2
296.08929	0.4
309.07452	0.2
312.01422	0.4
313.17957	1.5
322.06964	0.4
322.10654	0.2
324.08710	0.2
330.02505	0.5
332.09131	0.2
334.07288	0.2
350.10129	0.4
390.09729	0.3
406.09308	0.2
408.06897	0.3
416.07681	1.6
434.08701	0.5
496.13422	0.2
510.15482	0.2
512.13391	2.9
513.13776	0.2
514.24115	0.5
520.13965	6.4
521.13574	0.3
538.15149	2.5
539.15381	0.2
556.16040	4.7
556.24707	0.3
557.16168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19627	0.2
53.03933	0.4
55.25759	0.2
59.04979	0.3
67.05498	0.7
68.05002	0.2
68.58677	0.2
69.47220	0.9
76.03455	0.2
78.03448	0.6
79.05479	0.4
80.05013	4.5
81.07065	1.0
91.05463	0.8
93.07021	0.5
95.04967	0.5
95.08613	0.2
96.04493	4.1
97.02889	0.4
105.07014	0.7
106.02907	0.7
107.08607	0.7
109.06493	0.3
111.04511	0.2
111.08068	0.3
117.07006	0.5
119.08576	3.8
123.83193	0.2
124.03947	100.0
125.04298	1.0
128.06229	0.2
129.06972	0.2
131.08575	0.7
133.10133	0.3
141.05533	0.4
142.07787	0.5
143.08568	0.6
145.10091	0.6
155.07031	1.0
155.08405	0.4
156.09370	0.3
157.10150	1.2
159.08072	0.6
159.11627	1.2
169.10138	1.0
170.10867	1.2
171.11617	0.7
173.13255	0.6
183.11703	0.9
184.12450	0.6
185.13240	1.2
193.10188	0.2
194.10890	0.3
195.11656	0.4
197.13248	1.7
201.12813	0.4
205.10182	0.2
206.10948	0.2
207.11626	0.4
209.13284	0.7
211.14769	0.6
220.12486	0.8
223.14696	0.4
225.16359	0.5
225.33139	0.2
235.14748	1.1
249.16417	0.5
253.15860	0.6
268.25983	0.2
271.16977	0.3
295.17035	0.6
313.17929	1.4
331.18723	0.3
343.79260	0.2
381.92426	0.2
496.23251	0.6
556.25378	30.6
557.25726	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
67.05495	0.5
69.03400	0.6
74.76485	0.3
77.80884	0.2
78.03448	1.1
79.05487	0.4
80.05017	5.3
81.03403	0.7
81.07039	0.5
81.42752	0.3
83.04958	0.3
89.06007	0.7
91.05511	0.3
91.48842	0.2
93.07021	0.4
95.04953	0.4
95.08603	0.5
96.04485	4.0
98.80833	0.3
105.03390	0.4
105.07018	1.8
106.02938	0.4
111.04444	0.5
119.08564	1.1
121.10117	0.4
124.03943	100.0
125.04292	1.0
127.03889	0.5
128.06221	0.3
131.08583	0.7
133.10153	0.4
140.03439	0.3
141.05434	0.4
143.08583	0.5
145.10159	0.4
156.09317	0.4
157.10097	0.6
159.11700	0.8
169.10181	0.7
170.10907	0.5
171.11655	0.8
173.13339	0.3
181.10143	0.5
183.11646	0.5
185.13260	0.8
187.14827	1.0
194.10753	0.3
195.11717	0.4
197.13242	0.5
207.11618	0.4
209.13287	0.5
211.14784	0.4
215.14098	0.4
225.16411	0.3
235.14804	0.8
253.15962	0.4
271.17087	0.4
295.16922	0.4
313.17950	2.6
331.18948	0.4
556.25385	17.6
557.25897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.87000	0.3
67.05486	0.8
72.08193	0.3
78.03451	2.7
79.04237	0.5
79.05486	0.4
80.05019	4.7
81.07039	1.2
83.08659	0.3
89.06012	0.4
91.05477	1.2
93.07030	0.9
95.08608	1.7
96.04483	4.5
105.07021	2.3
106.02184	0.5
106.02907	8.2
107.08586	1.0
108.15918	0.3
117.07019	0.5
119.08575	3.0
121.06579	0.3
121.10106	0.9
124.03945	100.0
125.04284	1.1
131.08525	0.9
133.10144	3.0
135.11734	0.5
141.06969	0.3
143.08553	0.6
145.10129	1.6
147.11674	1.2
155.08549	0.5
156.05164	0.3
156.09320	0.4
157.10126	1.1
159.11656	1.8
161.13144	0.4
163.07365	0.3
169.10107	1.1
171.11665	1.3
172.12306	0.3
173.13277	1.4
183.11725	1.0
185.09477	0.4
185.13249	0.9
187.11183	0.4
187.14812	1.1
193.10094	0.4
195.11766	0.5
197.13332	1.5
199.14845	0.6
203.10667	0.4
205.10123	0.3
207.11771	0.4
209.13307	0.5
211.14815	1.2
215.14345	1.0
225.12868	0.3
225.16331	0.4
235.14882	0.5
237.16347	0.4
238.15367	0.3
239.17979	0.7
253.15828	0.4
253.19566	1.0
269.19107	0.3
281.19025	0.8
285.14874	0.4
285.18427	0.6
294.31656	0.4
295.16971	0.6
299.20056	4.0
313.17935	4.4
315.19373	0.4
359.77402	0.3
363.66476	0.3
422.23242	2.5
436.21198	4.7
454.22144	0.9
538.28046	2.8
556.28992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.1
52.01912	0.1
53.03934	0.3
55.05502	0.2
56.43612	0.1
59.04981	0.2
61.01138	0.5
67.05499	1.0
68.05074	0.1
69.03416	0.2
69.07047	0.2
69.18337	0.6
71.04978	0.3
73.06533	0.1
78.03453	0.9
79.04213	0.1
79.05499	0.5
80.05013	4.7
81.04106	0.1
81.07044	0.9
83.05000	0.2
89.06036	0.2
91.05478	0.7
93.07048	0.7
95.04959	0.5
95.08582	0.9
96.04488	3.8
97.02898	0.6
97.06496	0.1
105.07014	1.2
106.02909	1.2
107.08582	0.5
109.06503	0.2
109.10122	0.3
109.38656	0.1
109.42783	0.1
111.04428	0.5
111.08069	0.2
117.07007	0.2
119.08572	3.1
121.06503	0.3
121.10118	0.3
123.08040	0.1
124.03943	100.0
125.04288	1.1
127.01553	0.1
128.06195	0.2
129.07051	0.2
131.08548	0.6
133.10100	0.7
135.08044	0.3
137.06015	0.1
140.03429	0.2
141.05473	0.3
141.06987	0.1
142.07764	0.3
143.08527	0.8
144.09364	0.2
145.10118	1.6
147.08044	0.2
147.11678	0.4
153.09085	0.2
155.07016	0.8
155.08562	0.5
156.09317	0.4
157.10130	1.0
158.10880	0.1
159.08008	0.2
159.11681	1.4
161.09660	0.2
161.13261	0.3
165.07033	0.2
167.08540	0.2
169.10123	0.9
170.10880	0.3
171.11662	1.2
172.12204	0.1
173.09583	0.2
173.13261	0.7
175.11136	0.2
177.09186	0.1
179.08606	0.2
180.09280	0.2
181.10141	0.5
182.10892	0.2
183.11687	0.9
184.12418	0.3
185.09669	0.3
185.13245	0.9
187.14801	0.7
193.10132	0.3
194.10880	0.1
195.10123	0.2
195.11642	0.9
196.12469	0.3
197.09575	0.3
197.13240	1.2
199.14801	1.3
200.15421	0.2
201.09174	0.1
201.12730	0.4
203.10663	0.2
207.11717	0.3
208.12424	0.1
209.13326	0.9
211.11122	0.2
211.14777	0.7
215.10669	0.2
215.14250	0.2
220.12428	0.9
221.13258	0.3
222.13948	0.1
223.11044	0.2
223.14786	0.4
225.12927	0.2
225.16370	0.5
229.12376	0.1
234.14111	0.2
235.14784	1.4
236.15648	0.1
237.12688	0.1
237.16399	0.3
239.17894	0.2
241.12263	0.5
241.19536	0.1
249.16379	0.4
251.14395	0.3
251.17993	0.7
253.15790	0.6
253.19551	0.2
255.14032	0.2
259.16995	0.2
267.17432	0.3
269.15411	0.2
269.18967	0.2
271.17014	0.3
277.15881	0.2
279.17422	0.5
285.18619	0.2
285.98700	0.1
295.17017	0.8
297.18497	3.4
313.14282	0.2
313.17944	3.9
314.18323	0.2
315.19547	0.5
331.19046	0.5
394.91592	0.1
538.27820	0.7
556.25201	2.5
557.24347	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	556.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.0
55.05743	1.3
56.01830	1.4
57.07066	1.6
58.99586	8.4
67.05496	6.2
69.03424	30.6
69.07061	3.6
69.49557	3.2
69.49946	3.3
70.02947	1.6
74.00673	1.6
78.26957	1.4
79.05476	7.5
80.05006	1.8
81.03404	7.7
81.07047	8.8
83.04982	20.3
85.01112	1.5
86.00652	36.4
86.99059	1.8
88.02206	18.9
88.03987	22.6
88.33331	1.6
90.69700	1.5
91.05479	9.9
93.07039	11.4
95.04933	3.7
95.08598	9.8
97.01149	2.1
104.04620	1.6
105.07034	14.0
107.08587	9.3
109.06473	3.0
109.10153	4.2
111.02721	1.8
111.04435	30.6
112.02238	2.5
116.01661	3.1
117.06984	8.9
119.08562	14.2
119.09146	1.2
121.06487	1.6
121.10144	7.9
122.02711	1.7
128.06236	3.6
129.06996	6.5
130.07806	2.6
131.08563	17.5
132.01147	77.2
132.07999	1.5
133.10136	9.9
134.02728	5.4
135.08011	1.9
137.04160	1.8
141.06952	2.7
142.07794	4.8
143.08537	8.6
144.09297	1.8
145.10121	32.6
146.02682	1.6
147.10522	2.6
147.11700	6.3
153.06979	2.2
155.08534	6.6
156.09348	3.6
157.10133	12.9
158.10846	2.6
159.11679	20.8
161.09589	1.8
161.13283	2.7
162.02087	2.2
165.06946	3.0
167.08575	3.5
168.09357	2.7
169.10120	8.9
169.78185	1.5
170.10861	4.2
171.11653	9.0
172.12514	4.4
173.13271	5.1
175.14813	1.8
177.05470	1.4
178.01369	2.2
179.08492	3.6
180.09254	2.1
181.10155	8.5
182.10931	4.1
183.11658	7.4
185.13249	15.8
187.14809	100.0
189.16454	2.1
191.95665	1.4
193.10144	3.4
194.10886	3.0
195.11696	7.1
196.02573	1.7
196.12479	5.9
197.13254	8.0
199.14827	3.6
201.07379	1.7
201.12790	1.8
201.16359	1.6
203.08844	1.6
205.10176	2.7
205.15852	2.5
207.11699	4.7
208.12668	1.5
209.13173	7.9
210.14111	2.1
211.11148	2.4
211.14801	12.4
215.14357	2.4
217.10323	3.2
219.11896	8.1
220.12477	3.3
221.13342	4.5
223.11211	2.1
225.16414	2.4
229.10414	1.7
231.11865	3.1
232.12607	1.7
235.14796	9.2
237.12775	1.9
237.16335	3.9
245.13472	2.6
249.16370	2.4
251.17967	4.2
253.15839	4.0
255.17644	1.6
261.16504	2.3
269.18994	4.4
279.17413	15.6
281.18857	1.6
297.18448	41.5
306.15106	2.1
308.16763	14.4
311.14505	2.8
313.16391	3.0
313.20319	6.0
315.19586	1.4
316.00977	2.0
323.09842	1.4
329.15750	3.0
331.17163	1.6
332.16870	1.9
372.19980	1.6
389.06076	1.5
400.19385	15.8
418.20453	74.7
419.20755	5.2
436.21762	2.7
460.21509	2.9
478.22586	29.7
496.23578	12.7
518.83533	1.7
538.24707	10.1
556.26135	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	556.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01867	6.3
55.05502	1.8
57.03433	6.5
61.02927	6.6
67.05506	1.9
68.99765	1.8
69.03423	32.5
69.03802	1.6
69.07062	6.5
69.97539	2.5
71.01341	1.0
71.04987	5.0
73.02911	4.6
81.02962	1.8
81.03410	24.0
81.07066	6.6
83.08607	2.1
85.02896	100.0
87.00822	43.1
87.04452	1.1
91.03960	1.7
91.05475	1.7
93.07013	1.8
95.04931	1.3
95.08604	8.2
97.02885	47.6
97.06517	1.2
99.04453	10.4
103.03915	1.1
105.01858	71.1
105.07009	2.3
106.54529	0.8
107.25256	0.8
109.02864	31.2
115.03915	1.2
117.01806	1.6
119.08556	3.0
120.19196	0.9
121.10160	1.2
123.08125	1.0
127.03905	74.5
129.01805	2.7
133.10095	3.6
135.11694	2.4
137.13222	1.6
145.04951	36.5
145.40829	0.9
147.02939	1.6
147.04439	0.9
159.02881	10.9
161.13237	10.3
163.05977	2.8
177.03961	1.2
179.14301	14.8
189.03903	2.5
189.05612	1.0
197.15382	10.9
213.03929	7.3
215.16399	3.9
224.80028	0.9
231.04982	25.2
249.06044	10.8
253.06992	3.1
271.08118	2.6
376.83902	0.9
579.15265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.7
55.01865	4.4
55.05509	3.3
57.03432	6.3
59.43806	1.0
61.02930	6.2
68.99789	3.8
69.03426	37.0
69.07068	11.3
71.04980	3.4
73.02902	5.2
81.03414	19.5
85.02901	100.0
87.00827	47.4
87.04449	2.1
89.06045	5.7
91.03959	1.9
97.02890	39.1
98.22719	2.8
99.04448	9.0
101.02370	1.2
103.03907	1.5
105.01865	89.1
109.02876	30.5
111.11728	2.8
115.03951	1.3
117.01785	1.5
127.03910	76.4
128.49539	0.9
129.01845	3.0
133.08600	2.9
145.04951	35.0
147.02896	2.1
151.03879	1.4
159.02867	9.0
164.03130	1.0
189.03972	3.6
213.03844	5.6
231.05005	28.3
249.06032	14.3
253.07141	2.2
271.08212	1.4
291.78528	1.1
411.10822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
52.89391	0.2
53.03934	0.4
55.05498	0.5
57.07085	0.2
67.05511	1.1
69.03406	0.2
69.07053	0.4
69.22903	0.6
69.23324	0.7
70.00119	0.2
71.44957	0.2
75.16237	0.2
78.03446	4.6
78.33877	0.2
79.04217	0.4
79.05481	0.7
80.05011	5.4
81.03379	0.3
81.07042	1.3
83.08589	0.3
89.06026	0.3
91.05454	1.4
93.07027	1.1
95.04942	0.3
95.08590	2.3
96.04481	4.6
97.02875	0.4
97.66200	0.2
98.23447	0.3
105.07012	2.9
106.02905	13.8
107.08595	1.3
109.06487	0.3
109.10130	0.8
111.04442	0.8
115.05415	0.2
117.06997	0.6
119.08569	5.1
121.10133	0.9
123.08093	0.3
124.03937	100.0
125.04287	1.2
125.05946	0.2
128.06256	0.2
129.06960	0.2
130.07762	0.2
131.08546	1.5
133.10121	5.2
135.08043	0.4
141.06932	0.3
142.07755	0.4
143.08571	0.9
144.09390	0.3
145.10091	2.3
147.11670	2.1
155.08495	1.1
156.09286	0.6
157.10115	1.8
158.10826	0.4
159.08060	0.3
159.11647	2.5
161.09648	0.3
161.13206	1.0
169.10143	1.2
170.10852	0.6
171.11632	1.4
172.12303	0.3
173.09479	0.4
173.13254	1.7
173.73563	0.2
179.10753	0.4
181.10109	0.6
182.10863	0.3
183.11638	1.4
185.09631	0.3
185.13246	1.3
186.14073	0.3
187.11188	0.5
187.14787	1.7
188.15480	0.2
189.12723	0.3
189.16382	0.5
191.10594	0.3
193.10223	0.3
195.11693	0.7
196.12421	0.2
197.09654	0.4
197.13258	1.6
199.11227	0.5
199.14812	0.8
201.12708	0.2
201.16394	1.0
203.10629	0.2
205.12210	0.5
207.11632	0.3
209.13293	0.6
210.14034	0.3
211.11189	0.4
211.14803	1.7
213.16313	0.4
215.14301	1.0
217.12328	0.3
220.12480	0.3
225.12758	0.3
225.16367	0.6
229.12215	0.6
235.14833	0.5
237.16351	0.5
239.14310	0.4
239.17923	1.2
243.13771	0.7
249.16409	0.3
253.15912	0.6
253.19531	1.9
255.13768	0.3
255.21165	0.3
257.15247	0.3
267.17526	0.2
271.17047	0.2
271.20532	0.4
281.19037	1.0
285.14886	0.4
285.18396	0.5
292.16705	0.4
295.16904	0.8
299.20020	6.8
300.20282	0.3
313.17914	3.9
422.23221	4.2
423.23639	0.3
436.21152	4.7
437.21246	0.3
454.22104	0.7
538.27979	5.2
539.28259	0.4
556.29529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01898	0.2
53.03926	0.3
55.05509	0.2
61.01144	0.6
67.05496	1.1
68.05029	0.1
69.03427	0.1
69.07072	0.2
69.79689	0.5
71.04989	0.4
78.03459	0.9
79.04288	0.1
79.05474	0.3
80.05013	4.8
81.07051	1.1
83.04959	0.2
89.63896	0.1
91.05449	0.7
93.07038	0.8
93.54371	0.1
95.04941	0.3
95.08592	1.0
96.04487	3.7
97.02883	0.6
97.06502	0.1
97.88341	0.1
105.07021	1.3
106.02916	1.0
107.08559	0.6
109.06541	0.2
109.10160	0.3
111.04430	0.4
111.08154	0.1
117.07008	0.4
119.04960	0.2
119.08566	3.5
121.06462	0.2
121.10149	0.2
122.81245	0.1
124.03942	100.0
125.04280	0.9
126.21532	0.1
127.01500	0.2
128.06180	0.2
129.07060	0.2
131.08569	0.7
133.10112	0.8
135.08043	0.2
137.05984	0.2
139.07549	0.2
140.03439	0.2
141.05489	0.5
141.06938	0.1
142.07799	0.4
143.08543	0.9
144.09306	0.1
145.10114	1.6
147.11696	0.3
149.09584	0.2
155.07030	1.0
155.08525	0.5
156.09323	0.3
157.10130	1.4
158.10695	0.1
159.07939	0.1
159.11673	1.7
161.09615	0.3
161.13286	0.2
165.07007	0.1
167.08559	0.2
169.10100	1.0
170.10864	0.5
171.11671	1.6
173.09674	0.2
173.13235	0.9
179.08507	0.3
180.09389	0.3
181.10112	0.4
182.10898	0.3
183.11652	0.9
184.12440	0.3
185.09607	0.4
185.13193	0.8
187.11148	0.2
187.14778	0.9
193.10135	0.3
195.11693	0.8
196.12410	0.2
197.09639	0.2
197.11507	0.2
197.13225	1.7
198.14038	0.1
199.14821	1.4
201.09109	0.2
201.12715	0.4
203.10667	0.2
206.11003	0.2
207.11691	0.4
209.13263	0.8
211.11176	0.3
211.14839	0.8
215.10696	0.4
215.14264	0.2
217.12364	0.1
217.15918	0.1
220.12485	0.9
221.13174	0.2
223.11234	0.4
223.14755	0.5
224.43901	0.1
225.16396	0.4
234.14290	0.2
235.14799	1.7
237.12720	0.4
237.16367	0.5
239.17952	0.2
241.12213	0.5
249.16336	0.4
251.14185	0.1
251.15608	0.2
251.17911	0.9
253.15889	0.6
253.19559	0.2
255.13834	0.5
256.26694	0.2
259.16812	0.2
269.15384	0.3
269.18707	0.1
271.16980	0.4
277.15927	0.3
279.17502	0.7
285.18332	0.3
295.16843	1.1
297.18478	4.3
313.17944	4.4
314.18542	0.1
315.19431	0.7
331.19040	0.5
355.11966	0.1
392.22153	0.1
477.71854	0.1
538.28259	0.8
545.64264	0.1
556.25201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01861	2.3
55.05508	8.1
57.03426	6.9
59.86224	1.0
61.02927	5.0
67.05500	12.1
69.03420	15.6
69.07057	8.7
70.06585	1.3
71.04982	5.0
73.02926	2.9
74.45975	0.9
79.05477	5.4
81.03406	8.4
81.07052	33.4
83.04958	2.8
83.08615	7.0
85.02898	81.2
85.06541	3.9
87.00811	4.0
87.04446	2.0
89.05999	1.4
91.03931	3.0
91.05482	10.4
93.07040	10.9
95.04961	1.1
95.08602	43.9
97.02891	25.0
97.06522	7.7
97.10176	5.8
98.23477	1.4
99.04440	3.5
99.08097	6.4
101.06008	1.1
105.01847	8.8
105.07028	12.8
107.08604	5.6
109.02859	10.3
109.06532	1.8
109.10143	2.9
111.08064	1.8
113.09621	2.0
115.07558	2.1
119.08572	23.0
121.02836	1.2
121.10131	6.5
123.08048	3.2
124.03909	2.0
127.03906	25.8
128.56046	0.9
133.10115	17.3
135.11662	9.3
136.76370	1.1
137.09578	1.7
137.13229	13.2
141.09103	1.3
145.04945	31.1
147.33749	0.9
147.90744	0.9
151.03889	3.8
151.14766	1.1
159.02884	2.4
161.13246	60.1
162.13562	1.6
163.05998	11.0
177.05431	1.3
179.14294	100.0
180.14685	2.3
197.15355	75.5
215.16414	29.0
231.04999	3.3
249.06133	1.2
268.08127	1.6
344.11954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01864	5.4
55.05509	10.3
57.03429	7.8
59.04972	1.8
61.02932	8.1
67.05495	12.5
68.18334	1.1
69.03425	18.7
69.07065	12.7
71.04983	6.1
73.02901	3.6
74.06130	1.3
79.05481	8.7
81.03411	11.7
81.07050	40.7
83.04961	3.7
83.08620	11.4
85.02898	99.5
85.06532	5.0
87.00816	4.9
87.04453	1.6
89.06017	2.3
91.03931	3.8
91.05470	11.3
93.07046	13.4
95.08600	57.3
97.02888	27.9
97.06525	10.1
97.10168	5.9
99.04453	4.2
99.08080	6.7
101.02394	1.5
101.06002	2.3
105.01852	9.2
105.07017	15.7
107.08588	7.6
109.02871	12.0
109.06492	2.1
109.10131	4.7
111.08073	2.3
113.09647	2.7
115.07535	1.8
119.08583	27.6
121.10127	9.3
123.08060	4.6
124.03918	3.9
124.18584	1.2
127.03904	26.2
127.07566	1.8
133.10117	20.7
135.11713	12.1
137.09644	2.0
137.13229	14.3
145.04945	27.2
147.04373	2.1
148.04753	1.2
149.13345	1.4
151.03905	8.1
151.14841	1.6
161.13240	73.7
162.13539	2.4
163.06024	12.1
177.05466	1.9
179.14291	100.0
180.14658	2.0
185.15323	1.8
197.15356	71.7
198.15625	1.7
215.16432	26.9
231.05000	2.5
249.06157	1.3
268.08148	1.7
554.30219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58587	0.7
53.03959	1.2
55.01867	1.0
55.05505	3.7
56.28489	0.7
57.07085	1.2
59.05013	1.5
65.03928	1.2
67.05504	7.1
69.03420	2.7
69.07050	5.4
69.73061	1.1
69.73404	2.6
71.05008	1.3
79.05491	3.5
81.07054	9.0
83.04971	1.9
83.08607	2.5
85.02914	2.6
91.05462	8.3
93.07043	7.2
94.24780	0.8
95.04990	2.4
95.08601	14.7
97.02870	2.3
97.06555	1.5
98.23328	1.2
100.11186	0.7
103.05443	1.4
105.07020	11.6
105.07633	0.9
107.04942	1.3
107.08588	9.2
109.02887	1.8
109.06516	1.6
109.10146	8.1
111.04464	5.0
117.06998	3.3
119.08574	100.0
119.71188	0.7
120.08875	1.7
121.06484	2.1
121.10135	5.2
123.08073	5.1
123.11703	4.9
126.80617	0.7
127.03889	2.1
129.07008	1.3
130.07817	1.1
131.08562	4.7
133.06461	1.4
133.10123	16.8
135.08031	1.5
135.11679	2.0
137.09602	3.0
139.07574	1.6
141.07039	1.3
142.07787	1.6
143.08545	3.9
145.04887	0.9
145.10115	8.4
147.04376	2.0
147.08069	1.8
147.11702	6.1
149.06023	0.8
151.07558	2.0
151.11194	2.8
155.08588	2.2
156.09363	1.9
157.10114	6.8
158.10876	0.8
159.08047	1.1
159.11691	15.2
161.09605	2.3
161.13258	2.5
165.09013	0.8
167.10663	1.4
169.10115	5.7
171.11711	5.3
173.09663	0.8
173.13286	3.3
175.07564	1.6
175.11243	1.3
177.05496	1.2
181.10175	1.7
182.10927	1.7
183.11632	6.7
185.09592	0.9
185.13269	3.4
187.11234	2.4
187.14803	3.2
189.12747	1.2
189.16350	1.3
193.12186	1.1
197.09709	0.9
197.13240	8.1
199.11223	2.6
199.14868	1.9
201.12810	1.2
201.16408	3.3
203.10648	1.1
205.07031	3.7
205.12239	2.0
207.11781	1.0
211.11182	3.2
211.14793	1.8
213.16383	1.1
215.10742	1.2
215.17909	1.0
217.12280	3.3
219.13759	1.4
221.13254	2.1
223.14813	1.0
225.12862	1.8
225.16342	1.6
227.17953	1.3
229.12247	2.9
231.13940	1.4
235.13275	1.3
237.16405	2.9
239.14365	2.9
239.17947	3.8
243.13754	3.4
245.15474	1.6
253.19498	8.6
255.17305	0.9
257.15381	1.6
257.19031	2.0
261.14856	1.8
263.17938	3.0
271.20605	1.9
275.20041	1.7
281.19003	12.4
289.21594	1.3
299.20032	35.0
300.20282	1.2
317.21085	62.7
318.21353	1.8
341.20898	1.6
359.22144	1.4
362.81909	0.9
407.22186	7.2
425.23083	2.5
437.05490	0.8
485.25259	1.4
492.17709	0.9
554.41278	0.9
556.11139	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	556.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	1.8
66.04771	0.7
68.90440	0.8
69.56440	2.9
70.06566	1.3
70.25332	0.8
70.37069	0.8
71.08601	1.3
77.03955	0.9
79.05493	4.1
87.04435	1.0
89.06026	13.5
93.07050	1.5
95.04943	2.9
98.22712	0.9
100.03800	0.9
102.09937	1.0
103.05479	4.2
105.07021	100.0
106.07389	1.3
117.32029	0.8
121.06501	8.9
131.04895	2.2
133.08548	7.2
163.63600	0.8
165.09062	4.7
175.44633	0.8
209.13248	2.9
227.12750	28.2
228.13191	0.8
251.14209	1.1
256.26340	0.9
283.26266	2.6
300.28848	1.4
331.19034	8.1
371.22690	1.2
556.52722	3.6
579.03198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
57.07068	0.9
69.22315	3.8
70.96506	0.6
77.03932	0.9
79.05499	4.2
79.34310	0.5
83.60853	0.5
87.04462	1.4
87.76804	0.6
89.06028	10.2
91.05499	0.8
93.07014	2.1
93.20665	0.5
95.04969	2.4
103.05466	4.4
103.59818	0.6
105.07025	100.0
106.07333	1.8
121.06497	9.7
124.03917	0.8
130.11852	0.6
131.04951	1.2
132.54713	0.6
133.08591	5.4
139.07481	1.1
147.08072	0.7
165.09111	4.7
177.11133	1.1
206.70766	0.6
209.13293	3.0
219.73312	0.7
227.12756	33.5
228.12991	0.9
248.45171	0.5
251.14211	1.2
283.26230	1.8
300.28784	0.8
331.19034	7.1
371.22357	0.8
415.54675	0.6
443.44867	0.7
483.20929	0.6
556.53113	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	556.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.05507	8.0
57.07066	1.8
59.04992	0.6
60.05648	3.8
65.03938	1.6
67.05495	10.8
69.07064	7.8
69.73882	2.1
71.08617	1.0
75.16294	0.5
77.03893	0.5
78.03450	1.8
79.05482	9.1
80.05017	5.1
81.07050	22.0
83.04972	15.4
83.08616	2.6
86.11606	0.5
87.04464	0.8
89.06016	2.1
91.05470	12.8
93.07037	15.1
95.04348	0.8
95.04957	14.0
95.08591	16.0
96.04480	3.7
96.62383	0.5
97.06528	1.4
97.10149	1.1
98.23386	0.6
98.98441	1.0
103.05447	1.6
105.04505	1.3
105.07017	34.0
106.02880	2.0
106.07374	1.2
107.08582	12.7
109.06509	1.5
109.10151	8.9
117.01828	0.6
117.06998	4.4
119.06009	0.7
119.08578	17.0
121.06487	1.2
121.10128	9.5
121.45121	0.7
123.11701	2.0
124.03940	100.0
125.04279	1.6
128.06184	0.6
129.07005	1.1
130.07751	1.1
131.08562	6.6
133.08588	1.7
133.09088	0.7
133.10118	11.7
135.08081	0.7
135.11670	4.3
142.07828	0.9
143.08549	3.5
144.09291	1.1
145.10110	10.5
147.08000	0.9
147.11682	10.7
149.13284	3.5
155.00999	0.7
155.08534	0.9
156.09444	0.8
157.10104	4.5
159.11687	7.4
161.13213	3.6
163.14893	1.4
169.10086	1.2
171.11665	3.0
173.13257	2.8
175.14793	1.7
177.11244	0.7
177.16354	1.1
183.11705	1.3
185.13295	1.7
187.14816	3.9
189.16373	1.3
197.13258	1.5
199.14806	2.0
201.16383	2.1
203.17899	1.8
208.67459	0.7
211.14812	1.5
213.16360	2.7
215.18016	1.0
225.16309	0.9
227.17868	1.2
229.19473	0.7
239.17839	0.6
253.19493	0.9
263.20157	1.2
267.21176	1.2
281.22598	0.9
317.24826	0.8
337.28806	1.2
397.31052	1.2
538.35059	1.4
556.52728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
57.07072	41.9
59.05011	0.5
69.07062	3.9
69.09564	2.2
71.08627	30.2
73.02884	0.3
73.06551	8.9
79.05489	0.3
79.92442	0.3
83.08628	1.9
85.10178	18.9
87.04462	6.3
89.06025	100.0
90.06365	0.3
91.07578	0.8
91.69817	0.4
93.07008	0.3
97.10165	3.5
98.16756	0.3
99.11730	3.3
102.27595	0.3
105.07018	5.4
107.07092	1.8
111.11712	2.2
113.13279	2.0
117.09115	5.5
124.03946	0.6
125.13218	0.6
127.14794	1.0
130.08627	1.1
131.06993	1.0
133.08595	39.3
135.10149	0.5
144.56677	0.3
161.11688	1.0
169.19521	2.2
175.09618	0.3
177.11211	14.1
195.12236	0.5
213.22101	2.4
221.13799	2.8
227.12880	0.4
239.14850	0.8
257.24725	5.3
265.16330	0.4
283.17542	1.8
301.27325	3.3
327.19858	1.1
371.22748	3.8
407.33188	0.3
451.36072	0.4
458.83636	0.3
495.38614	0.7
539.41473	6.4
556.43829	0.8
556.51984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53899	0.7
55.05511	1.6
57.07076	33.3
58.75919	0.7
63.48507	0.9
69.07065	3.3
70.55729	1.1
71.08627	28.6
73.06549	7.5
73.60405	0.9
76.29726	0.9
83.08599	1.9
85.10178	17.1
87.04471	6.0
89.06026	100.0
91.07579	1.2
97.10187	4.0
99.11743	3.4
103.05475	1.6
107.07067	3.2
111.11756	2.5
113.13289	2.0
117.09127	4.9
127.14841	0.9
130.08705	1.9
131.04961	2.6
131.07045	1.4
133.08595	52.2
135.60910	0.8
142.81914	0.8
168.74074	0.8
169.19485	4.2
177.11205	22.7
213.22147	3.3
221.13878	3.6
224.63077	0.8
239.14975	0.9
257.24774	7.7
265.16504	1.2
283.17487	2.0
283.26324	2.3
299.25247	0.9
301.27420	3.6
327.20123	1.8
366.63721	0.9
371.22751	7.9
539.41608	5.8
556.44543	1.8
556.52771	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	557.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.90059	0.6
69.03419	2.3
74.90353	0.4
81.03398	0.9
85.02886	3.4
87.00802	0.8
96.51484	0.6
97.02904	5.4
98.03226	0.7
99.04437	0.8
103.05460	1.1
109.02899	0.6
112.20274	0.5
118.04168	1.7
119.04934	0.7
119.10471	0.5
127.03901	1.4
131.04945	1.9
136.01564	1.1
137.02359	1.2
143.08611	0.6
151.03885	0.9
152.01064	1.3
153.01848	1.3
154.02538	1.1
170.02208	0.6
177.05492	0.6
181.01332	0.5
182.02107	1.1
190.81538	0.6
197.04468	1.9
198.01584	0.7
211.06033	1.7
226.06288	0.9
247.98468	0.5
248.18109	0.5
253.04970	1.6
254.05756	6.0
263.12604	1.0
264.79053	0.5
265.05029	0.6
269.04401	1.2
271.06027	14.9
272.06488	1.3
281.04459	1.3
282.05243	5.8
283.06113	3.0
285.03992	0.7
286.04926	1.0
287.09213	1.8
291.12317	4.4
299.05481	14.6
300.06253	15.7
301.06445	0.6
309.13232	1.6
313.07117	0.8
315.08606	100.0
316.08884	2.3
385.69131	0.6
395.04288	22.5
396.04590	1.0
445.94989	0.5
539.83020	0.6
557.12164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03941	0.9
55.01882	0.6
57.02394	0.5
67.01833	0.5
68.99784	11.1
71.01349	0.5
77.03938	1.2
79.01837	0.5
79.05455	0.7
91.05480	2.1
92.99771	1.4
95.01348	0.6
95.04971	3.9
102.04694	0.7
103.05469	49.8
104.05807	0.7
105.03400	7.2
105.04514	1.8
105.07054	3.5
106.89498	0.6
107.04975	0.8
115.05434	1.2
117.07013	0.5
123.00791	1.2
129.03375	1.5
129.06985	0.8
131.04929	100.0
132.05284	2.5
138.01883	0.6
139.00259	11.4
141.01862	0.8
141.07018	1.0
142.53542	0.6
143.04915	0.9
147.04414	3.9
153.01840	2.2
155.04840	1.2
157.01338	1.5
163.00291	3.1
165.01834	1.1
166.01416	0.9
166.99724	1.0
169.01341	1.7
171.04453	1.0
173.05981	1.2
178.99849	0.7
181.01268	1.0
181.06313	0.6
182.99231	2.0
183.02884	0.8
183.04491	1.2
185.00803	5.3
188.04160	0.6
188.98250	0.7
190.99791	2.8
191.01227	0.5
193.01421	0.6
197.00783	2.0
197.05931	1.0
201.00244	0.7
201.05424	1.0
205.01434	0.8
206.99197	0.9
209.00783	3.2
213.00259	0.8
213.05466	0.8
215.06999	0.6
218.99205	2.9
223.03922	0.7
223.07469	0.5
225.05498	3.2
228.99506	0.6
233.00797	0.8
234.98772	1.1
237.00311	8.2
237.05431	0.6
241.04950	30.9
242.05449	0.9
243.06557	2.8
243.14520	0.6
246.98828	0.9
252.99771	1.8
253.04956	1.8
257.04437	4.8
258.04712	1.1
265.04922	3.2
267.06546	1.6
269.04437	46.3
270.04935	3.3
271.05984	7.4
272.06451	0.7
273.07568	0.7
280.99265	1.1
283.06003	1.1
285.00223	1.5
285.03833	0.8
286.04636	0.7
287.05463	2.9
289.07114	1.0
293.04416	2.2
295.06027	1.2
297.03946	1.4
301.03519	0.7
304.99414	0.7
311.05557	0.6
314.97723	1.0
321.03937	4.8
323.05508	4.2
339.05167	2.9
341.06570	15.6
357.06210	0.6
361.03613	1.1
363.04987	0.6
365.06696	0.8
367.04486	2.2
389.06949	1.2
391.04541	3.7
407.04184	1.4
409.00064	0.6
409.05283	1.2
417.02567	1.5
435.03247	3.5
453.04977	2.0
493.09036	0.7
511.03909	0.6
511.10907	1.1
515.09680	1.3
521.09290	1.4
539.02856	0.8
539.10120	3.1
557.10742	2.5
557.27832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03941	0.9
55.01882	0.6
57.02394	0.5
67.01833	0.5
68.99784	11.1
71.01349	0.5
77.03938	1.2
79.01837	0.5
79.05455	0.7
91.05480	2.1
92.99771	1.4
95.01348	0.6
95.04971	3.9
102.04694	0.7
103.05469	49.8
104.05807	0.7
105.03400	7.2
105.04514	1.8
105.07054	3.5
106.89498	0.6
107.04975	0.8
115.05434	1.2
117.07013	0.5
123.00791	1.2
129.03375	1.5
129.06985	0.8
131.04929	100.0
132.05284	2.5
138.01883	0.6
139.00259	11.4
141.01862	0.8
141.07018	1.0
142.53542	0.6
143.04915	0.9
147.04414	3.9
153.01840	2.2
155.04840	1.2
157.01338	1.5
163.00291	3.1
165.01834	1.1
166.01416	0.9
166.99724	1.0
169.01341	1.7
171.04453	1.0
173.05981	1.2
178.99849	0.7
181.01268	1.0
181.06313	0.6
182.99231	2.0
183.02884	0.8
183.04491	1.2
185.00803	5.3
188.04160	0.6
188.98250	0.7
190.99791	2.8
191.01227	0.5
193.01421	0.6
197.00783	2.0
197.05931	1.0
201.00244	0.7
201.05424	1.0
205.01434	0.8
206.99197	0.9
209.00783	3.2
213.00259	0.8
213.05466	0.8
215.06999	0.6
218.99205	2.9
223.03922	0.7
223.07469	0.5
225.05498	3.2
228.99506	0.6
233.00797	0.8
234.98772	1.1
237.00311	8.2
237.05431	0.6
241.04950	30.9
242.05449	0.9
243.06557	2.8
243.14520	0.6
246.98828	0.9
252.99771	1.8
253.04956	1.8
257.04437	4.8
258.04712	1.1
265.04922	3.2
267.06546	1.6
269.04437	46.3
270.04935	3.3
271.05984	7.4
272.06451	0.7
273.07568	0.7
280.99265	1.1
283.06003	1.1
285.00223	1.5
285.03833	0.8
286.04636	0.7
287.05463	2.9
289.07114	1.0
293.04416	2.2
295.06027	1.2
297.03946	1.4
301.03519	0.7
304.99414	0.7
311.05557	0.6
314.97723	1.0
321.03937	4.8
323.05508	4.2
339.05167	2.9
341.06570	15.6
357.06210	0.6
361.03613	1.1
363.04987	0.6
365.06696	0.8
367.04486	2.2
389.06949	1.2
391.04541	3.7
407.04184	1.4
409.00064	0.6
409.05283	1.2
417.02567	1.5
435.03247	3.5
453.04977	2.0
493.09036	0.7
511.03909	0.6
511.10907	1.1
515.09680	1.3
521.09290	1.4
539.02856	0.8
539.10120	3.1
557.10742	2.5
557.27832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1451
Annotation	Sikokianin A
Peak:m/z	Relative Intensity
50.01588	0.5
53.00299	0.5
53.03923	0.6
55.01868	1.3
57.16835	0.4
65.03941	1.3
68.99786	2.1
69.03427	6.7
69.90579	0.8
71.01353	0.7
73.25507	0.4
77.03908	0.7
79.01841	0.5
79.05487	1.1
80.90936	0.4
83.01353	0.6
85.02934	0.4
91.05476	35.8
91.60713	0.4
92.05798	0.4
95.01318	2.1
95.04968	2.4
96.36894	0.5
97.02879	2.7
98.22756	0.4
99.00851	0.4
103.05462	22.7
105.03388	7.2
105.04482	0.6
105.07020	1.1
107.01328	4.5
107.04939	1.8
109.02936	0.6
113.02351	1.5
115.05447	7.1
117.07023	1.8
121.02852	0.4
123.00775	2.8
125.02336	4.8
128.06258	0.6
129.06975	1.5
131.04922	53.0
131.08583	1.3
132.05260	1.8
133.02858	0.5
138.01891	2.3
139.00253	0.4
139.03879	0.5
141.01784	2.7
141.06982	4.0
143.04912	3.7
143.08534	2.2
145.06488	1.1
147.04391	0.8
151.00275	0.9
151.03909	0.8
153.01801	3.7
153.06982	1.8
154.07751	0.6
155.03410	0.8
155.08543	5.6
157.06476	1.0
158.07214	0.5
159.08049	1.4
161.02284	0.4
161.05898	0.5
163.03873	0.6
165.01854	0.6
165.06978	9.1
166.01323	1.9
167.02075	0.5
167.03371	0.7
167.08632	0.5
168.02922	0.7
169.01317	57.8
169.06412	2.6
170.01703	0.6
171.04399	1.6
171.07993	0.5
173.05952	2.3
178.01379	1.3
179.03407	3.6
180.02905	3.0
181.01280	0.8
181.06500	1.7
183.08052	8.0
185.00742	0.5
185.06010	0.8
187.02365	2.6
187.03923	2.2
187.07536	1.8
188.04282	0.5
193.06427	3.4
194.99336	0.4
195.02927	1.8
197.05962	3.8
199.02385	0.7
201.09108	1.0
205.01373	0.4
207.02821	0.7
211.02385	0.7
211.07520	7.2
213.05511	0.5
215.07042	2.2
219.02930	0.4
221.00812	1.8
221.05983	6.4
223.02335	0.5
225.05421	2.8
227.07002	0.5
229.08582	1.9
231.06506	0.5
239.07045	5.1
241.04916	0.7
243.06511	1.1
244.07175	0.4
245.00827	0.5
247.02414	0.4
249.05412	0.5
255.06516	1.0
256.05936	2.0
257.08069	18.3
258.08472	0.8
265.03497	0.7
267.06464	1.3
268.07257	0.4
269.04498	1.2
270.05139	0.8
270.07578	2.7
273.07556	100.0
274.07922	3.5
284.05637	0.5
284.09207	1.1
285.07553	24.3
286.07895	0.5
291.01352	1.9
312.72275	0.4
395.07751	0.7
417.04935	0.6
435.06860	1.8
521.10486	1.8
539.12262	6.1
557.12964	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
51.76416	0.5
53.00297	0.5
53.03917	0.6
55.01868	1.2
58.32722	0.5
61.94186	0.5
65.03921	1.2
68.99780	2.9
69.03428	7.4
70.55803	0.9
71.01308	0.6
72.92554	0.5
77.03915	1.1
79.05486	1.1
85.02890	0.6
91.05474	37.4
95.01317	1.3
95.04971	3.6
96.04462	1.8
97.02881	2.3
98.51181	0.5
99.00797	0.5
102.04649	0.7
103.05462	28.9
104.05744	0.6
105.03387	9.0
105.04485	1.1
105.07014	1.1
107.01317	5.1
107.04951	1.6
113.02342	1.5
115.05441	8.0
117.06984	2.0
119.04920	0.7
121.02850	1.1
123.00768	3.1
123.04370	0.8
125.02341	3.8
128.06198	1.2
129.06998	1.7
131.04915	65.0
131.08577	2.1
132.05276	0.8
139.00230	0.8
141.01804	2.6
141.06969	4.5
143.04909	3.4
143.08533	2.9
145.06462	1.5
147.04385	2.2
151.00264	1.2
152.06178	0.8
153.01802	4.0
153.07002	2.9
154.07852	0.7
155.03430	1.3
155.04837	0.7
155.08553	6.5
157.06480	1.1
159.08055	2.2
165.01811	1.0
165.06979	10.8
167.03383	1.3
167.08574	0.8
168.05696	0.7
169.01311	66.1
169.06384	2.7
170.01654	1.4
171.04373	1.6
171.08029	0.9
173.05980	3.2
179.03355	2.3
181.01309	1.1
181.06467	1.9
183.08060	7.1
184.07271	0.7
185.06027	1.0
187.02359	2.8
187.03867	1.1
187.07501	2.4
193.06392	4.3
195.02863	1.7
195.07980	0.7
197.05948	4.2
201.09068	1.5
207.02921	0.7
211.02324	0.8
211.07535	7.1
213.00330	0.7
215.07005	3.3
217.01230	0.6
221.00735	1.7
221.05946	6.6
223.02368	0.9
225.00414	0.5
225.05415	2.6
229.08580	2.0
239.07011	4.6
241.05006	1.1
243.06473	2.0
247.02448	0.5
252.99838	0.6
255.06554	1.0
257.08075	16.0
267.06558	1.8
269.04358	1.1
271.05939	1.4
273.07547	100.0
274.07858	4.3
280.99185	0.6
285.07529	24.4
286.07816	0.6
291.01288	1.4
297.03806	0.6
301.25223	0.6
330.97296	0.6
341.06180	0.7
435.06973	1.9
454.07578	0.8
539.12384	1.5
540.13055	1.0
557.12506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.3
67.05499	1.3
69.03427	2.7
69.56878	1.7
69.57273	1.5
70.06590	1.1
81.03405	5.3
85.02901	3.3
88.66692	0.9
93.03412	2.9
95.04987	1.6
97.02894	3.6
97.76258	0.8
99.04446	1.1
108.02119	0.9
109.02893	2.3
111.04461	4.1
112.05103	2.3
113.03496	12.4
115.05454	0.9
125.05991	4.3
127.03943	1.2
137.05965	11.0
138.06288	4.7
141.05501	2.2
146.01910	1.8
151.03905	100.0
151.05006	7.9
153.01839	0.9
160.05246	1.3
161.05539	1.2
169.04961	10.3
174.06735	0.9
175.07555	9.3
176.07877	3.8
187.07573	3.9
188.07877	2.5
189.09088	2.0
214.44292	0.9
215.89197	0.8
217.08473	1.8
249.08914	1.2
272.10104	1.1
291.10468	1.7
292.10501	2.1
295.08093	5.1
312.12891	1.8
313.09225	3.0
323.12869	1.6
324.13144	2.9
341.13821	1.8
342.14154	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	557.1632
Annotation	Didmolamide B
Peak:m/z	Relative Intensity
54.07860	1.6
61.05869	1.6
69.31649	3.9
69.32040	3.0
70.06593	13.4
72.08141	3.9
73.50172	1.7
75.32458	1.5
77.67435	1.6
84.08141	2.8
85.02871	2.5
86.09689	4.9
86.96397	1.6
121.02850	3.6
125.85017	1.6
129.10222	2.1
150.33185	1.6
163.03920	5.0
164.04147	2.3
182.15273	1.6
202.32401	1.9
421.02151	1.8
556.44012	5.3
557.16302	100.0
558.16565	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	557.1762
Annotation	Chaboside
Peak:m/z	Relative Intensity
68.99789	0.7
69.03404	1.4
69.08215	2.6
69.08631	1.1
81.03402	0.7
85.02884	1.7
97.02866	1.2
98.22730	1.2
98.98441	0.8
103.05439	0.7
105.04503	1.4
105.07024	0.5
105.49511	0.5
107.06100	0.5
108.12426	0.5
109.02863	0.7
119.04852	0.5
119.06041	2.5
121.02829	0.4
127.03912	0.8
131.04887	2.0
133.03947	1.0
147.04393	1.3
147.05547	1.1
175.05038	4.0
176.03435	2.2
187.03828	0.6
203.04495	17.9
204.03015	0.9
225.78725	0.5
231.03998	100.0
232.04391	2.5
241.04909	0.5
249.05051	2.2
259.03506	28.8
269.04373	0.8
271.05945	1.0
277.04568	0.5
291.06046	0.6
293.09140	0.7
303.28497	0.5
335.10251	57.9
336.10599	2.0
363.09747	26.3
364.09937	0.8
395.12363	68.9
396.12717	3.1
430.93411	0.5
557.17712	14.0
558.18005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.2
52.01902	0.2
53.00298	0.1
53.03937	0.3
54.58978	0.1
55.90577	0.1
67.05500	0.2
68.88123	0.1
78.03452	2.1
79.04218	0.3
80.05012	4.5
81.07063	0.1
87.43850	0.1
88.64677	0.1
91.05475	0.2
91.92995	0.1
93.07040	0.1
96.04488	4.1
97.02880	0.1
97.04799	0.1
105.07010	0.3
106.02912	2.7
107.08614	0.2
107.96857	0.1
115.30400	0.1
117.06968	0.1
119.05975	0.1
119.08580	1.1
120.56474	0.1
122.02361	0.1
124.03946	100.0
125.04293	4.2
132.09380	0.2
140.03421	0.2
143.08469	0.2
145.10115	0.2
149.09663	0.1
157.10107	0.3
159.08083	0.2
159.11641	0.3
170.10916	0.2
171.11729	0.2
185.13240	0.2
193.10115	0.2
195.11684	0.2
201.12534	0.3
206.10936	0.2
207.11748	0.3
208.12422	0.2
209.13322	0.2
221.13295	0.1
223.14784	0.3
229.06104	0.7
232.12349	0.1
233.13162	0.1
235.14912	0.1
251.14438	0.2
260.12091	0.1
265.15973	0.2
269.15366	0.3
293.15369	0.6
311.16492	0.6
314.18469	0.2
434.19629	2.0
475.21408	0.2
557.22778	9.7
558.23346	0.4
576.13861	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	557.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16735	0.5
56.82357	0.4
69.17966	2.9
71.54702	0.4
73.12729	0.4
79.05486	0.7
80.05014	0.5
81.03392	0.6
81.07079	0.8
85.02902	1.0
89.06037	1.0
91.05478	1.0
91.57632	0.4
93.07046	0.6
95.05000	0.7
95.08558	0.7
98.22607	0.8
105.03364	0.6
105.07026	4.8
109.02779	0.8
109.10141	0.6
118.00433	0.5
119.08602	2.6
124.03937	12.4
124.28767	0.5
125.04286	1.7
131.08562	0.6
133.08556	0.7
133.10190	0.9
143.08617	0.6
147.08049	0.8
157.10095	0.7
159.11673	0.9
167.09819	0.4
169.10127	1.0
171.11668	0.7
183.11797	0.7
187.11288	0.5
197.13249	1.3
207.11777	0.5
209.13199	0.8
221.13414	0.7
273.11740	0.5
305.69675	0.5
307.99268	0.6
313.17978	0.7
335.16248	0.7
353.17184	0.9
395.18231	1.8
455.20374	18.6
456.20660	0.9
469.21985	25.5
470.22537	0.9
543.92072	0.5
557.27197	100.0
558.27594	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	558.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09678	0.7
54.03456	4.6
67.01863	1.6
68.01383	1.0
68.99779	10.9
69.08018	4.3
69.08435	1.7
70.02935	1.8
73.40336	0.8
82.02948	1.1
82.60501	0.8
92.01362	1.1
95.01324	1.0
98.02399	1.4
98.23447	1.7
103.05481	1.8
110.02400	9.9
112.03969	3.1
117.15026	0.8
131.04932	1.7
138.01857	79.1
139.02184	1.5
140.03412	15.1
141.06966	1.5
153.01820	6.1
155.04852	1.1
156.02925	2.4
164.03456	1.9
166.01358	81.6
167.01874	1.3
168.02914	33.6
171.04387	1.0
180.02910	1.2
183.04500	1.2
184.02402	12.9
186.05482	1.1
187.03900	17.0
197.05972	1.6
200.07024	1.9
205.61005	0.8
210.05453	2.6
211.03894	2.3
212.07086	2.0
214.08636	1.6
225.03365	1.7
225.05457	22.6
226.05875	0.8
228.06532	1.9
238.04977	3.4
239.03383	6.8
242.08121	18.9
246.07707	0.8
256.06036	53.7
257.06384	2.4
270.07590	100.0
271.07996	2.5
274.06958	0.8
284.05524	48.4
285.05875	2.7
302.06573	69.1
303.06946	2.7
342.09949	0.9
494.98395	0.9
540.12354	1.6
558.13684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1396
Annotation	Dynemicin N
Peak:m/z	Relative Intensity
54.97516	1.4
67.01878	1.2
67.56367	1.1
68.99790	14.0
69.23650	5.9
70.06588	2.0
77.69436	1.3
82.02940	4.0
91.05467	8.4
92.05795	1.7
93.85414	1.1
95.01324	3.1
95.04967	2.4
96.04511	1.6
103.05466	34.1
104.05791	2.7
105.03360	2.1
105.07018	4.7
110.02410	3.5
115.05447	4.7
116.05743	1.2
117.06994	3.4
117.54019	1.3
122.02390	2.7
123.00790	3.9
124.03969	4.0
126.01836	1.7
129.06979	5.6
131.04926	100.0
132.05261	6.0
138.01877	9.8
139.00235	1.6
140.03423	1.9
141.01863	1.4
141.06949	3.7
142.06482	1.5
147.04399	3.6
149.02327	4.2
150.01828	2.6
151.00284	2.7
152.03494	2.4
154.01341	2.3
155.04887	2.8
156.02933	8.0
157.06430	2.0
157.72861	1.1
160.00276	1.7
166.01372	7.3
166.89534	1.2
166.99695	1.7
167.02148	2.2
168.02907	9.4
168.08113	1.5
169.01320	12.9
169.06474	1.8
170.01697	1.6
170.06099	2.0
171.04399	9.5
173.05946	1.4
178.01358	13.5
178.31879	1.2
185.00838	8.1
185.05890	1.9
187.03831	2.1
190.01389	2.2
192.02928	5.4
193.04913	4.2
196.02406	20.6
197.05960	2.1
199.03960	3.0
200.20131	3.5
201.00276	3.5
202.01323	1.8
208.02374	1.6
209.00906	1.4
212.01918	1.3
212.07094	5.2
213.00243	1.4
213.05435	2.1
215.06866	1.8
218.00847	12.4
220.02385	6.4
224.06923	1.8
225.05429	3.0
226.08543	2.0
231.06641	1.8
237.00240	1.9
238.05156	2.0
240.01314	4.8
241.04898	11.6
242.07971	1.8
243.06151	1.7
246.00293	6.7
252.06686	2.8
254.08148	3.1
256.06094	3.6
261.99741	2.9
264.01447	4.0
269.04425	12.3
270.07648	5.7
271.05923	4.0
272.09186	4.2
273.07599	7.7
274.07864	5.2
276.01355	7.7
280.05957	9.0
282.07556	2.8
286.07739	2.1
287.05463	2.6
288.01373	17.3
291.02625	1.8
298.07010	2.9
304.00793	2.6
306.02420	20.6
306.07413	2.0
316.01047	1.6
322.07025	6.1
324.08621	1.6
326.06546	2.8
332.00369	3.6
334.07022	3.6
348.05096	2.3
350.06570	3.9
362.02692	1.8
362.06747	2.8
380.07834	6.8
384.12424	8.5
385.09131	3.4
390.05933	1.9
392.07678	10.0
408.07114	9.3
410.03806	2.0
410.08807	33.3
418.05807	1.8
420.07172	1.7
422.08682	1.8
426.13266	2.6
428.14554	1.7
436.06885	6.3
454.01529	2.8
454.07663	34.5
454.13504	1.8
455.06952	1.4
466.12741	3.3
468.14716	2.8
484.14136	10.2
496.13794	5.7
498.11722	1.6
512.07452	1.2
512.13599	14.3
522.12012	1.8
540.12848	62.0
541.12488	2.7
558.13837	23.0
558.26636	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	558.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76706	3.7
58.96521	4.2
59.96790	4.0
65.03922	3.8
69.03422	13.4
69.35090	4.5
69.84447	13.9
70.06593	7.6
78.04684	3.6
79.05461	4.7
81.03379	4.0
85.02912	4.6
86.09711	18.6
87.73843	3.4
91.05489	11.9
93.03394	11.7
93.07054	6.2
94.86955	3.9
95.04974	5.6
97.02892	30.2
103.05472	4.2
104.33391	3.6
105.07037	5.1
106.04182	25.6
107.04901	4.0
108.60188	3.5
109.06459	4.6
111.04459	4.4
113.05965	3.7
116.36914	3.4
121.02850	6.4
121.06483	32.2
125.05973	9.3
132.01144	5.5
134.03621	4.9
137.05980	13.9
144.02066	8.9
147.04405	9.2
149.05968	43.0
153.09108	12.2
177.05469	29.9
181.08609	22.0
187.14854	10.9
191.07103	4.7
193.08673	5.2
199.17947	5.1
209.08058	100.0
271.04083	7.8
285.03943	4.5
286.04669	7.3
309.03690	31.1
310.03989	40.9
310.18161	11.8
341.14243	4.3
346.04810	5.3
380.49139	4.2
438.04730	5.3
472.09137	12.7
494.37738	4.0
514.10327	11.5
558.09302	89.5
558.22266	6.0
559.09271	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	558.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.36003	0.4
78.03435	0.6
80.05017	4.9
91.05460	1.0
93.07043	0.8
95.04973	1.9
96.04489	4.1
103.05462	2.6
105.03384	8.3
105.04483	0.5
105.07014	1.1
106.02902	1.2
106.33891	0.4
107.03616	0.5
107.08611	0.6
119.08572	1.3
123.94188	0.3
124.03943	100.0
125.04293	0.7
131.04912	5.4
135.08012	0.4
147.11665	0.6
152.89439	0.4
159.11632	0.4
166.31778	0.4
171.11595	0.5
178.01323	1.1
185.00809	0.8
200.63545	0.4
228.06522	0.5
267.64017	0.4
270.07498	0.6
282.07651	0.7
295.17038	0.8
313.17914	1.1
342.10022	1.0
540.12091	0.4
558.16083	0.6
558.24829	14.4
559.25641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.1
53.03933	0.4
61.15378	0.1
63.76323	0.1
69.07060	0.1
69.67120	0.3
77.03960	0.1
78.03452	1.4
79.04202	0.2
80.05009	4.7
81.07038	0.3
81.43375	0.1
91.05513	0.2
93.07042	0.3
95.04951	0.2
95.08591	0.3
96.04482	3.4
100.59243	0.1
105.03384	1.4
105.07011	0.4
106.02901	1.4
107.08597	0.4
109.06531	0.2
117.07037	0.1
119.08576	0.6
124.03943	100.0
125.04292	0.9
127.97298	0.1
131.08553	0.2
133.10109	0.3
140.03394	0.2
143.08569	0.2
145.10066	0.2
147.11661	0.8
151.07549	0.1
155.08487	0.2
157.10126	0.4
158.10860	0.2
159.11705	0.3
161.09637	0.3
161.13257	0.2
169.10165	0.3
171.11703	0.3
172.12439	0.3
173.13303	0.1
175.11160	0.1
176.12018	0.3
176.15610	0.2
183.11707	0.3
184.37108	0.1
185.13303	0.2
187.11311	0.1
194.10564	0.1
195.11719	0.2
203.14346	0.3
207.11716	0.2
209.13361	0.2
210.51872	0.1
225.16472	0.1
228.06587	0.3
239.10791	0.2
249.16422	0.3
251.17873	0.2
253.15971	0.2
271.16736	0.7
295.16965	1.3
313.18011	1.4
320.86307	0.1
474.47296	0.1
558.24811	8.6
559.25323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
66.46658	0.2
67.05488	0.8
69.07057	0.3
71.04965	0.2
73.02901	0.3
78.03442	0.8
79.05479	1.3
80.05018	4.8
81.03397	0.3
81.07040	0.9
83.04966	0.3
87.04456	0.6
88.07613	0.2
89.06013	0.9
91.05480	1.1
93.07034	1.4
95.04961	0.4
95.08589	0.6
96.04488	3.2
98.19547	0.2
105.07016	1.7
106.02921	1.2
107.08566	1.0
109.10113	0.3
111.04500	0.2
119.08559	1.1
121.02845	0.2
121.10122	0.7
124.03944	100.0
125.04281	1.4
127.01609	0.4
129.06969	0.2
131.08585	0.4
133.06433	0.3
133.08595	0.3
133.10124	0.8
135.11678	2.0
138.05476	0.3
140.03419	0.2
140.39688	0.2
143.08513	0.2
145.10138	0.4
147.11678	0.5
149.02342	0.8
149.09599	0.4
155.07068	0.2
157.10110	0.5
159.08112	0.2
159.11716	0.3
171.11681	0.4
172.43661	0.3
173.13177	0.3
183.11821	0.3
185.13306	0.3
193.05006	0.7
200.20100	0.8
209.13190	0.3
211.14975	0.3
221.13644	0.2
223.14799	0.3
275.20044	0.9
293.15485	0.2
335.85019	0.2
349.45807	0.2
385.09186	0.6
470.21851	0.7
514.30865	0.2
558.26923	15.9
559.25818	1.9
563.69702	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	558.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
63.93161	1.4
67.05499	4.4
71.05008	1.8
73.02912	3.3
74.35439	1.5
79.05489	6.7
80.05000	3.3
81.07052	8.5
83.04980	20.1
89.02039	1.7
89.06036	1.8
91.05475	8.6
93.07050	5.1
95.04969	2.2
95.08595	7.0
96.04488	5.9
97.06544	5.2
104.88699	1.6
105.07029	12.3
106.02938	2.9
107.04916	2.2
107.08607	5.9
109.06523	2.9
109.10172	3.0
117.07020	5.6
119.04871	1.6
119.08572	5.1
124.03948	100.0
127.01553	1.9
128.06178	1.8
129.06972	3.9
131.08519	3.4
133.06461	2.0
133.08641	4.2
133.10146	3.6
138.05513	11.6
143.08560	7.0
145.06448	2.4
145.10120	5.3
147.04480	1.6
147.11613	2.4
151.11159	2.4
153.03148	4.6
155.08531	3.7
156.09392	3.9
157.10146	7.1
159.11601	2.5
165.07013	2.7
167.08551	3.1
169.10155	5.6
171.11722	5.1
173.09665	1.9
181.10101	3.6
182.10857	1.8
183.11728	4.4
185.13234	2.4
187.11191	2.0
192.98500	1.6
195.11693	3.8
197.13245	3.3
199.11313	1.8
201.12785	2.0
225.12762	2.0
266.01950	1.7
297.18439	1.8
315.19452	2.1
343.64334	1.9
392.22269	1.7
410.23184	5.8
420.21811	3.1
438.08243	2.1
438.22729	58.7
439.22943	3.1
456.23688	3.3
498.24826	4.9
558.26202	3.7
559.27448	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	558.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
63.93161	1.4
67.05499	4.4
71.05008	1.8
73.02912	3.3
74.35439	1.5
79.05489	6.7
80.05000	3.3
81.07052	8.5
83.04980	20.1
89.02039	1.7
89.06036	1.8
91.05475	8.6
93.07050	5.1
95.04969	2.2
95.08595	7.0
96.04488	5.9
97.06544	5.2
104.88699	1.6
105.07029	12.3
106.02938	2.9
107.04916	2.2
107.08607	5.9
109.06523	2.9
109.10172	3.0
117.07020	5.6
119.04871	1.6
119.08572	5.1
124.03948	100.0
127.01553	1.9
128.06178	1.8
129.06972	3.9
131.08519	3.4
133.06461	2.0
133.08641	4.2
133.10146	3.6
138.05513	11.6
143.08560	7.0
145.06448	2.4
145.10120	5.3
147.04480	1.6
147.11613	2.4
151.11159	2.4
153.03148	4.6
155.08531	3.7
156.09392	3.9
157.10146	7.1
159.11601	2.5
165.07013	2.7
167.08551	3.1
169.10155	5.6
171.11722	5.1
173.09665	1.9
181.10101	3.6
182.10857	1.8
183.11728	4.4
185.13234	2.4
187.11191	2.0
192.98500	1.6
195.11693	3.8
197.13245	3.3
199.11313	1.8
201.12785	2.0
225.12762	2.0
266.01950	1.7
297.18439	1.8
315.19452	2.1
343.64334	1.9
392.22269	1.7
410.23184	5.8
420.21811	3.1
438.08243	2.1
438.22729	58.7
439.22943	3.1
456.23688	3.3
498.24826	4.9
558.26202	3.7
559.27448	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	558.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01872	5.5
55.05516	0.9
57.03442	4.6
59.16317	0.6
61.02930	5.5
68.99776	3.5
69.03426	36.6
69.03804	1.8
69.07063	5.5
69.34035	3.7
71.04991	3.8
73.02916	5.3
81.03413	18.2
83.01386	0.9
85.02901	100.0
87.00829	46.0
87.04456	1.2
91.03967	1.5
91.05477	0.8
97.02890	35.3
99.04457	11.1
101.02366	1.1
103.03905	1.5
105.01863	82.7
109.02875	31.7
111.04489	0.8
115.03870	1.1
117.01846	1.3
119.04948	0.8
121.02850	3.0
124.03976	2.3
125.76621	0.8
127.03909	74.6
128.04237	1.1
129.01790	3.7
138.05516	1.2
140.07054	9.5
143.32608	0.8
145.04951	29.4
147.02888	1.5
151.03928	1.2
159.02861	7.5
171.02904	0.9
173.08209	1.3
174.05553	1.0
174.09067	1.3
189.03976	2.7
213.03923	5.5
214.10860	1.0
231.04993	27.5
232.05374	0.9
249.06044	13.3
252.08281	1.7
253.07060	1.0
271.08228	1.2
300.12308	1.6
313.11835	2.5
383.11023	1.4
469.04794	1.0
494.19040	3.4
526.21857	6.7
558.09161	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	558.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
53.10231	0.8
54.04090	0.7
55.01868	4.9
57.03430	5.8
61.02920	6.2
62.87945	0.9
64.49506	0.8
68.99799	2.9
69.03424	36.6
69.07063	6.1
71.01331	0.7
71.04986	3.8
73.02911	5.1
73.44299	0.7
81.03413	19.4
81.07050	1.3
85.02898	100.0
87.00824	48.1
87.01376	1.0
87.04462	1.5
91.03957	1.4
91.41864	0.8
91.86024	0.8
95.08614	1.1
97.02888	41.7
99.04451	10.6
101.02389	1.4
103.03954	1.6
105.01860	93.5
109.02872	33.2
109.03642	1.2
111.04465	1.1
117.01849	1.7
121.02932	0.8
124.03951	2.6
126.21483	0.9
127.03908	79.9
128.00816	0.9
128.04233	0.8
129.01828	3.5
140.07056	15.7
140.08141	1.1
145.04941	31.4
146.06061	0.9
147.02898	2.6
147.04395	1.2
150.07713	0.8
151.03926	1.4
154.08725	1.1
159.02879	9.6
171.02846	1.1
173.08258	1.2
174.05511	1.5
180.50479	0.9
181.05023	1.2
189.03970	3.4
204.06615	1.5
211.05823	1.6
213.03955	5.7
231.04970	31.0
249.06062	12.7
250.08665	2.1
252.08099	2.1
253.07169	1.7
271.08148	1.2
287.05435	1.1
300.12381	1.9
313.11841	3.3
345.14282	1.8
383.11069	2.0
384.42957	0.9
494.18939	4.5
526.21661	10.9
556.33600	0.9
558.09088	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	559.0752
Annotation	8-Hydroxyluteolin 4'-methyl ether 8-glucoside-3'-sulfate
Peak:m/z	Relative Intensity
51.20569	0.3
53.72998	0.3
56.78606	0.3
61.02890	0.3
68.99737	0.4
69.03429	1.6
70.06548	0.5
70.53802	0.3
72.89960	0.3
81.03371	0.6
85.02902	3.1
97.02890	1.7
97.37975	0.3
99.04419	0.7
102.19884	0.4
107.04896	1.2
112.01525	0.7
113.03435	0.4
127.00188	0.4
127.03890	0.4
134.03572	0.4
135.04375	1.0
137.02315	0.9
140.00955	0.7
145.04846	0.6
151.03943	2.0
152.04204	0.7
167.99275	0.5
168.00529	5.8
169.01314	1.7
183.02873	13.6
186.01579	3.8
259.06180	0.6
274.04678	1.0
284.03174	0.8
285.03986	0.5
288.06177	0.7
289.07159	0.4
301.03345	0.9
302.04193	25.6
303.04758	1.9
316.05835	0.7
317.06522	100.0
318.06918	3.0
361.02258	0.6
383.00775	0.5
397.02213	55.7
398.02527	1.6
499.11264	0.7
559.07428	1.9
559.14093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84292	3.2
56.96556	7.0
68.99791	32.4
70.53495	5.9
79.33079	3.1
84.08153	6.1
85.02919	3.0
92.99627	3.1
94.96143	2.9
95.01369	4.0
98.97596	10.0
103.05477	26.7
105.07023	6.3
112.85455	3.7
116.98637	5.2
119.04941	3.6
121.06525	5.3
124.56200	2.9
131.04916	64.6
132.05276	4.6
134.99709	3.3
138.01920	3.8
139.00208	3.9
145.73817	3.4
147.04460	4.7
165.01843	4.8
165.80519	3.1
166.99814	5.0
168.02983	4.5
169.01331	9.5
171.04404	10.0
185.00800	39.3
213.00368	5.8
221.00737	4.5
232.07072	6.8
241.04893	20.0
242.98160	6.7
269.04440	29.2
271.05981	18.4
273.07428	5.1
287.05447	6.1
289.07196	3.6
291.02661	13.2
299.05338	3.2
311.02332	3.4
329.03317	11.4
336.12280	3.9
337.12540	6.0
347.04407	69.2
365.05463	20.7
383.04929	3.7
389.05780	4.2
391.35568	3.6
421.05087	4.1
431.06241	3.8
473.07358	15.2
491.09100	15.7
497.07080	6.6
515.08984	8.2
547.93726	5.4
559.08368	100.0
559.16785	5.3
560.08093	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	559.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.00293	1.2
53.03936	0.5
56.96571	0.7
64.68116	0.5
67.01857	0.7
68.99788	31.7
69.08150	1.9
69.08575	2.1
77.03903	1.0
79.05478	0.6
90.88645	0.5
91.05464	2.3
95.01334	0.7
95.04963	2.1
103.05462	35.8
104.05782	1.1
105.04546	0.7
105.06342	1.1
105.07027	13.7
106.07345	0.7
111.00779	0.8
115.05483	0.6
115.12444	0.5
123.00777	2.6
128.06204	0.7
128.84485	0.6
129.99152	0.5
130.01125	0.5
131.04924	100.0
132.05261	4.5
139.00267	6.6
141.01823	0.6
141.07030	0.9
151.00244	0.9
153.01810	0.7
155.04886	1.0
157.06508	1.0
163.00238	2.2
164.98230	1.4
165.01888	1.9
166.99725	8.9
169.01321	2.9
169.06517	0.7
173.06024	0.9
178.99734	0.7
181.01326	2.3
182.99242	5.1
183.02954	0.8
183.04431	2.8
185.00810	39.5
186.01245	1.0
190.99751	3.6
193.01344	0.6
194.99249	3.4
197.00734	0.7
197.06062	1.4
200.98660	0.6
201.00403	0.7
201.05527	0.7
209.00806	3.6
210.98750	1.8
211.03865	0.9
213.00327	6.2
215.07086	2.0
218.99268	4.1
221.00761	2.7
223.03888	0.8
225.05450	3.2
228.99748	1.3
229.04999	0.7
237.00296	5.8
241.04898	2.5
242.05394	0.7
243.06586	5.1
245.08118	1.1
246.98686	9.6
253.05037	2.3
256.01413	0.7
257.04718	0.7
264.99771	5.7
269.04404	3.3
269.07697	0.9
271.05988	34.7
272.06400	1.4
273.07550	0.8
276.99875	0.7
287.05380	1.0
288.99814	1.6
289.03992	0.8
289.07053	11.3
295.06049	1.0
297.04037	5.2
299.05432	1.9
304.99274	1.7
308.98764	0.9
314.97662	1.5
315.04947	1.9
317.03308	1.4
323.01981	0.7
323.05460	3.9
324.00479	0.5
325.07220	0.7
332.98688	3.8
335.04819	0.7
341.06577	2.4
351.00452	0.9
351.04971	4.4
353.02921	0.5
369.06265	0.7
377.03033	0.7
391.04407	1.7
393.06036	2.1
409.05484	1.1
419.03940	5.8
423.06833	0.9
437.05002	6.1
455.05600	0.8
481.09433	0.7
495.10730	0.9
523.10126	3.9
541.10846	0.8
559.10065	1.2
579.05658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03538	0.7
58.80193	0.7
63.56833	0.8
68.99787	75.2
87.19227	0.8
91.05469	2.3
93.89207	0.8
94.36044	0.8
97.02892	0.8
103.05457	8.0
105.07029	19.9
105.07730	1.3
111.00813	1.3
115.79910	0.8
119.04945	1.6
120.80875	0.7
121.02784	0.7
121.06503	9.9
123.00798	0.9
131.04926	15.0
139.00252	10.5
141.01831	1.0
147.00764	0.8
147.04378	6.2
151.03900	0.9
157.01280	0.9
165.01881	3.5
166.99759	14.5
168.00484	1.5
169.01308	16.3
183.02878	0.8
185.00806	100.0
186.01276	1.7
193.01279	2.1
194.99258	2.7
197.05922	0.8
197.66493	0.8
205.01263	0.8
209.00882	1.7
213.00281	7.1
214.99837	2.4
215.07068	1.9
218.99265	1.8
221.00771	1.2
225.00328	2.7
225.05403	1.7
230.10843	0.8
230.99260	1.1
231.06425	0.9
233.00906	2.1
237.00311	2.0
243.06567	3.0
246.98726	1.7
249.00310	1.9
253.04900	2.4
259.05936	1.0
261.00424	1.0
271.05981	66.7
272.06332	2.3
273.07635	3.3
287.05493	13.0
288.99792	7.3
289.07037	8.1
298.98184	2.1
299.05466	1.7
315.05032	2.1
316.99335	6.1
335.00519	1.2
359.04520	1.8
375.04913	1.0
391.04575	1.0
393.06046	1.1
403.04678	1.4
421.05472	9.5
437.05017	2.7
439.06567	1.8
455.11505	0.9
484.51294	0.8
486.89606	0.8
495.11032	1.4
523.09973	2.0
541.11200	1.0
588.04950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20804	1.0
55.01871	1.0
55.39658	0.8
68.99788	88.7
69.03426	1.0
71.01324	0.9
71.40579	0.8
74.67980	0.8
79.05495	1.1
79.50122	0.8
83.70318	0.9
91.05482	1.6
97.02876	1.1
103.05463	8.9
105.01915	0.9
105.07021	19.0
107.04936	1.4
111.00829	2.1
119.04914	3.1
121.02850	1.0
121.06509	13.4
123.00814	1.5
125.02339	1.4
131.04919	18.2
139.00261	9.6
147.04385	9.2
151.00233	1.2
153.50992	0.8
157.01347	1.5
157.19547	0.9
163.00308	1.4
165.01862	4.7
166.99744	13.6
167.02040	1.2
168.00519	1.2
169.01323	20.5
181.01167	1.0
183.02914	1.6
183.04469	1.0
185.00810	100.0
186.01465	1.9
190.99724	1.0
193.01326	3.3
194.04491	1.0
194.99283	2.7
197.00829	2.6
209.00771	1.9
213.00314	10.8
214.99738	3.3
215.07030	2.1
218.99205	1.4
221.00789	2.7
225.00253	4.7
225.05383	2.2
231.06532	1.1
233.00822	3.0
237.00276	2.9
241.04918	1.1
242.99312	1.2
243.06529	4.2
249.00302	2.6
250.98296	1.2
253.05006	1.8
259.05969	3.1
261.00244	1.3
264.99777	1.1
269.04517	1.3
269.07837	1.0
271.06003	71.8
272.06424	2.5
273.07526	3.8
287.05466	23.1
288.05862	1.2
288.99823	11.7
289.07056	10.8
298.98297	5.8
299.05609	4.7
302.38809	1.0
315.04919	3.2
315.08441	2.0
316.99295	11.4
335.00320	3.0
344.02277	1.0
347.04630	1.8
373.07489	2.0
403.04465	2.4
409.05063	1.3
411.07056	1.5
419.04150	1.6
421.05560	16.2
437.05096	3.5
439.06561	1.6
495.10779	3.4
499.10443	2.0
513.11743	1.5
523.10040	3.3
541.11182	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	559.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95818	1.0
55.01877	1.3
60.73882	0.9
68.99790	71.1
69.08473	6.7
82.98071	0.9
84.08151	2.7
91.05479	2.0
93.07057	1.1
95.04960	1.5
97.02892	1.8
103.05464	15.9
103.06096	1.2
105.07034	21.1
115.05450	2.3
116.51725	1.1
117.32747	0.9
118.14107	0.9
121.02882	1.1
121.06523	1.4
123.00787	2.2
131.04935	32.3
132.05284	1.9
139.00276	11.3
145.06502	1.2
147.04315	2.1
153.01973	1.0
155.04871	1.0
163.00258	2.0
165.01834	5.3
166.99747	10.6
169.01326	28.3
169.06450	1.1
171.04407	26.9
171.05829	1.9
173.06096	1.5
175.07491	1.0
182.99258	1.6
183.02934	2.0
183.04428	1.3
185.00813	100.0
186.01199	1.9
193.01326	2.1
194.99283	1.7
199.03835	2.2
205.06538	1.0
206.99321	1.1
209.00905	3.1
211.04129	1.0
213.00308	7.1
215.03375	1.6
215.07007	2.4
218.99257	1.5
221.00813	3.1
223.03931	1.4
225.00317	3.8
225.05511	2.9
229.04831	1.4
230.99255	1.7
232.06068	1.8
233.00783	1.0
237.00294	3.1
241.04987	18.1
243.06522	4.5
246.98784	1.1
249.00397	1.7
253.04956	4.4
264.99631	1.2
269.04453	26.7
270.05060	2.6
271.06006	68.9
272.06235	2.3
273.07446	1.4
277.04813	0.9
287.05518	2.2
288.99881	6.1
289.07013	6.0
291.02643	98.2
292.02905	3.4
292.06015	1.2
295.05936	1.7
297.03967	4.0
298.98273	2.2
299.05551	1.1
311.16492	1.0
315.05072	3.0
316.99374	5.2
317.04370	1.4
319.06195	1.3
323.05606	1.1
335.00357	2.5
336.12326	2.8
337.12552	4.0
369.03586	1.8
391.04419	2.7
393.06241	1.0
401.02753	2.0
403.04825	1.1
419.03979	5.2
421.05582	5.7
437.05127	2.6
439.06271	1.3
495.10739	4.2
499.44229	1.0
505.09341	1.9
515.10919	2.1
523.10498	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	559.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
59.96038	0.2
67.05482	0.4
68.99770	2.2
69.03400	0.2
69.07055	1.2
69.40965	0.6
69.41376	0.4
70.06592	1.1
72.08128	0.7
79.05466	0.9
81.16546	0.2
84.04488	0.6
84.08130	1.1
86.09719	1.1
91.05483	0.4
95.04932	0.2
97.06523	2.9
117.18617	0.2
119.04930	5.0
121.01963	0.3
121.02846	3.8
123.00787	0.7
129.10220	0.7
136.43185	0.2
138.05457	0.3
139.00253	6.2
141.01794	0.3
147.04387	0.4
157.01294	0.4
161.06009	0.2
166.99699	0.2
168.00539	1.5
169.01315	0.8
173.05800	0.2
185.00812	0.3
186.01581	0.8
201.12312	0.3
211.03940	0.3
213.05354	0.3
229.04968	0.4
239.03226	0.2
241.04884	0.8
257.04425	39.1
257.28076	0.2
258.04990	1.0
269.04501	0.9
270.05267	0.2
271.05878	0.3
283.06036	0.4
285.03912	28.8
286.04654	8.4
287.05466	23.9
288.05792	0.7
297.07648	0.3
299.05493	0.4
339.08426	0.5
369.09610	0.5
383.11218	100.0
384.11584	3.9
397.08856	0.3
559.14008	2.1
559.38159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05502	2.1
57.03437	1.9
61.02927	0.7
65.03942	0.6
67.05492	0.8
68.99790	0.5
69.03430	1.1
69.07057	1.7
70.06595	0.8
70.07388	0.4
70.17798	0.6
73.09104	0.3
79.05490	1.5
80.16419	0.4
81.03412	0.8
81.07058	0.9
83.01330	1.0
83.04977	1.0
83.08617	0.4
84.04496	0.8
85.02905	2.5
85.06528	0.5
85.90041	0.3
86.09692	1.3
87.00826	0.8
87.04456	0.9
91.05477	1.6
93.07025	0.9
95.04962	1.5
95.08598	0.8
97.02901	1.0
97.06530	1.3
99.04465	1.2
103.03928	0.5
105.01875	1.3
105.07022	1.1
107.04971	0.6
107.08576	0.6
109.02891	1.2
109.10158	0.7
111.04459	0.5
117.05499	3.3
117.07001	0.6
119.04922	3.2
119.08530	0.4
121.02856	15.4
121.03791	0.8
121.06470	0.9
121.10138	0.8
123.08047	0.4
124.03955	0.6
127.03923	2.1
133.02809	0.4
133.06490	0.9
133.10135	0.4
135.08037	0.5
137.02359	0.4
137.05984	0.6
137.09587	0.4
140.01045	0.4
140.07048	1.5
141.01891	0.5
145.02808	0.6
145.05032	0.4
145.06503	1.0
145.10083	0.4
147.04379	1.8
149.02316	3.4
151.03871	2.0
153.01799	0.9
155.04926	0.5
155.10645	0.5
159.02875	0.5
159.08049	0.5
161.02278	0.5
163.03882	0.7
167.03462	0.6
167.07005	0.8
168.00577	2.2
169.01344	0.9
171.04440	0.5
172.07893	0.4
173.05933	0.8
175.07610	0.3
177.05423	0.3
177.62563	0.3
181.01282	5.2
186.01570	1.9
187.03764	0.3
187.07516	1.4
191.03421	0.5
193.01268	0.4
194.99193	0.7
195.02794	2.1
199.02365	4.6
200.03049	0.4
201.05452	1.0
201.07526	0.7
203.03409	0.4
207.02884	1.2
207.06532	0.4
213.00241	2.0
219.06419	0.7
219.08371	0.5
221.08025	1.0
223.02289	0.4
229.04904	0.4
235.06006	0.7
239.07115	0.5
245.04460	0.4
247.05901	1.7
249.09349	0.4
251.07047	1.7
255.06384	0.3
257.04465	1.5
258.05063	0.6
263.05569	1.4
265.07086	0.6
267.06479	1.4
269.04428	0.5
269.08353	0.5
271.06036	0.7
275.20306	0.6
277.08646	0.7
279.06592	2.0
281.11627	0.8
283.06021	0.8
285.03937	2.7
286.04691	19.0
287.05460	9.9
291.06650	0.4
293.08078	0.5
293.21204	0.8
295.06125	0.9
297.07480	2.2
299.05493	29.3
300.06137	2.6
309.11118	0.7
311.05447	3.0
313.03412	6.5
313.07062	2.5
321.07635	0.4
323.05338	0.8
326.11545	0.9
327.08432	0.6
328.05655	0.4
331.04517	0.7
332.31348	0.4
333.07465	0.7
337.10461	0.4
339.08917	0.6
340.13187	0.5
341.06564	1.2
341.13809	2.6
350.07962	0.6
355.11795	1.7
365.10214	9.2
375.15875	0.5
383.11212	100.0
384.11621	4.0
387.15997	0.5
403.15347	1.3
413.12265	0.5
421.16718	0.6
431.14856	2.7
449.15884	2.3
467.16891	2.1
485.17944	0.7
497.30472	0.7
515.28156	0.7
527.21985	1.6
541.13171	0.5
541.19904	2.0
559.13910	0.5
559.21204	1.4
559.29126	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	559.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
68.99787	5.0
69.93557	2.0
95.04987	2.2
103.05450	4.4
105.03385	9.8
105.04491	1.3
105.07058	1.3
118.67667	0.6
124.03976	1.8
129.07005	0.8
131.04919	12.8
138.01852	1.0
139.00273	1.0
140.03447	0.9
147.04448	0.9
164.03465	0.8
178.01408	2.2
185.00800	5.2
192.02917	2.3
194.04504	0.9
203.07083	2.0
206.04466	1.6
213.00229	1.0
220.02292	1.6
250.03441	1.2
264.99719	0.9
271.06094	2.8
289.07050	1.4
296.09113	1.6
298.10693	1.3
324.08716	2.3
326.06668	1.0
340.08203	3.5
354.09851	1.3
384.10706	4.6
419.04013	0.8
458.18930	0.9
471.17740	7.4
523.10773	1.0
542.14160	1.8
559.23004	100.0
560.23273	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	559.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
55.05507	0.5
67.05492	0.8
69.38590	1.3
74.16927	0.2
78.03450	4.6
79.05474	0.6
80.05018	5.3
81.07045	0.7
81.32487	0.2
83.04992	0.3
91.05463	1.6
93.07053	1.2
93.78776	0.3
95.04951	0.6
95.08610	0.9
96.04484	3.7
105.07030	2.7
106.02911	10.7
107.08590	1.8
107.14173	0.3
109.06497	0.5
109.10170	0.5
111.04458	0.6
115.05444	0.3
117.07016	0.7
117.47165	0.3
119.08581	3.6
121.06473	0.3
121.10138	0.7
123.08080	0.4
124.03947	100.0
125.04302	1.2
129.07016	0.6
131.08549	1.1
133.10149	1.6
135.08096	0.4
140.03381	0.3
141.06935	0.5
142.07808	0.8
143.08553	1.5
145.10133	1.4
147.08076	0.4
147.11684	1.7
149.09673	0.4
155.08533	0.6
156.09337	0.5
157.10146	2.2
158.10831	0.4
159.11681	1.0
163.07600	0.6
167.08604	0.7
169.10147	1.7
170.10875	1.0
171.11688	1.7
173.09549	0.3
173.13150	0.5
175.07527	1.4
175.11166	0.6
178.94666	0.3
179.07072	0.4
179.08577	0.7
181.10100	0.9
182.10934	0.4
183.11696	1.6
185.09531	0.3
185.13251	2.0
187.07556	0.3
187.11157	0.6
187.14830	0.3
189.09100	0.7
193.10165	1.1
194.10979	0.4
195.11728	1.1
196.12473	0.5
197.09738	0.3
197.13266	1.4
199.14781	0.5
201.09218	0.3
201.12772	0.5
203.10651	0.3
203.14348	0.8
205.10089	0.6
207.11700	1.5
208.12442	0.3
209.13269	1.9
211.11211	0.4
211.14859	0.6
215.10606	0.4
219.11731	0.5
220.12471	0.7
221.13225	0.9
223.14757	0.7
225.09035	0.3
225.12648	0.3
225.16391	0.9
227.10675	0.4
227.14308	0.5
229.06068	0.6
229.12218	0.5
234.14003	0.6
235.11304	0.3
235.14833	1.4
236.15628	0.3
237.16521	0.3
239.10609	0.9
239.14313	0.4
239.17911	0.6
249.16364	1.2
251.17917	1.4
253.12234	0.6
253.15848	0.6
267.14484	0.2
267.17392	1.4
271.16898	0.6
277.15836	0.4
285.18497	0.5
295.16953	2.7
313.18024	2.3
379.15045	0.7
418.20273	0.4
436.21164	3.7
471.19876	1.6
550.34119	0.3
559.24438	16.1
560.24457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.244
Annotation	Scutebarbatine A
Peak:m/z	Relative Intensity
50.01598	0.1
52.01905	0.2
53.03930	0.4
55.01884	0.1
67.05518	0.1
68.99786	0.8
69.16945	0.7
70.06581	0.1
75.51244	0.1
78.03452	0.9
79.03799	0.1
79.04214	0.3
79.05481	0.2
80.05014	5.2
81.07047	0.1
83.01323	0.3
84.01676	0.1
91.05459	0.3
93.06994	0.2
95.04972	0.2
96.04489	4.0
98.23534	0.2
103.05466	0.9
105.07019	0.7
106.02907	1.1
107.08536	0.3
111.04411	0.1
119.08590	0.4
121.06441	0.1
121.10153	0.2
123.00786	0.1
124.03945	100.0
125.04300	1.1
131.04915	2.4
131.08553	0.2
133.10141	0.2
138.01823	0.6
139.00241	0.1
140.03375	0.2
142.07759	0.1
143.08574	0.2
145.10124	0.3
147.11667	0.2
155.08557	0.2
157.10112	0.4
159.11655	0.1
161.09705	0.1
161.13260	0.3
166.01375	0.8
166.99777	0.1
167.01630	0.1
168.02927	0.4
169.01242	0.2
169.10115	0.2
171.11671	0.2
173.13220	0.1
175.11287	0.2
181.01350	0.4
181.10182	0.1
182.01619	0.2
182.99300	0.2
184.02327	0.2
185.00829	0.9
187.14822	0.2
188.04243	0.1
195.11653	0.2
199.02364	0.5
200.02721	0.3
201.02736	0.3
203.14273	0.2
209.13286	0.1
213.00294	0.1
225.05453	0.3
226.05701	0.1
229.06100	0.3
237.00189	0.2
246.98726	0.2
253.15817	0.1
255.13844	0.1
256.06049	0.3
257.06412	0.3
264.99744	0.1
267.17352	0.2
270.07574	0.5
271.05493	0.5
271.08063	0.3
271.17050	0.1
284.05499	0.2
285.05402	0.1
286.07861	0.2
289.06964	0.1
291.02567	0.2
295.16925	0.5
302.06555	0.3
303.06989	0.4
313.17996	0.4
337.90298	0.1
351.00031	0.1
400.34430	0.1
436.21216	3.7
436.27460	0.2
437.05051	0.2
437.21664	0.2
559.24341	11.0
560.24512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84253	0.3
53.03934	0.5
54.34658	0.2
55.05505	0.4
59.04987	0.3
64.66587	0.3
67.05490	0.5
69.36646	1.1
69.37058	0.5
78.03441	3.5
79.05481	0.6
80.05011	4.7
81.07038	1.2
83.04945	0.3
91.05468	1.3
93.07021	1.3
95.04954	0.7
95.08599	0.9
96.04480	4.1
96.47993	0.3
97.06517	0.4
98.23457	0.7
100.03429	0.3
104.67413	0.3
105.03368	0.4
105.07006	2.7
106.02903	7.2
107.08579	0.9
109.06514	0.6
112.87979	0.3
117.06994	0.9
119.08562	2.7
121.06551	0.4
121.10114	0.5
123.08031	0.3
124.03936	100.0
125.04277	2.5
126.04385	0.3
127.01589	0.3
128.06215	0.3
129.06953	0.4
131.08545	0.7
133.10117	1.1
135.08080	0.3
137.06024	0.4
143.08578	1.0
145.10120	1.1
147.08017	0.3
147.11670	2.1
151.07520	0.5
155.08534	0.9
157.10124	1.0
159.08043	0.4
159.11635	0.7
161.09561	0.5
169.10094	1.8
170.10933	0.3
171.11627	1.1
175.11142	0.4
179.08592	0.5
181.10062	0.4
183.11653	1.4
185.13251	0.4
189.12682	0.7
193.10103	0.4
195.11621	0.6
196.12396	0.5
197.13240	0.6
203.14404	0.3
207.11601	0.6
209.13287	0.9
210.14038	0.3
211.11189	0.4
211.14748	1.3
215.10698	0.5
221.13150	0.7
225.16350	1.4
229.06114	0.9
235.14752	0.6
237.16292	0.3
249.16356	0.4
253.15843	1.0
267.17429	0.6
271.16974	1.1
295.17004	0.5
313.17999	2.5
436.20981	2.1
559.24323	45.6
560.24786	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
54.73938	0.3
54.92102	0.3
55.05500	0.6
55.63062	0.3
67.05503	2.6
69.03401	0.6
69.39101	1.1
71.04987	0.6
78.03004	0.6
78.03445	10.2
79.05472	0.5
80.05009	4.7
81.07043	2.5
83.04955	0.8
91.05451	1.1
93.07021	1.0
95.04938	0.8
95.08581	0.6
96.04488	4.7
97.02866	2.1
98.23512	0.4
105.07018	1.8
106.02906	20.5
107.08556	0.4
109.06509	0.5
111.04433	1.0
113.05977	0.6
117.07027	0.5
119.06019	0.3
119.08565	5.9
123.04368	0.3
124.03938	100.0
125.04285	0.8
129.06973	0.5
131.08543	2.0
133.10092	0.7
135.08055	0.3
141.05460	0.9
141.07002	0.3
142.07762	1.1
143.08543	1.9
145.10069	1.5
155.07043	0.9
155.08546	1.2
156.09326	1.5
157.10150	2.2
158.10857	0.7
159.11678	2.2
162.85463	0.3
167.08592	0.9
169.10103	2.6
170.10889	1.4
171.11676	3.5
173.09625	0.3
173.13213	2.6
179.08551	0.5
180.09329	0.5
181.10083	1.4
182.10904	0.8
183.11708	2.1
184.12419	1.5
185.13271	1.5
187.11130	0.5
192.09305	0.4
193.10115	1.1
195.11604	1.8
197.13208	4.7
201.12752	0.5
203.14319	0.4
205.10089	0.7
206.10893	0.4
207.11708	1.4
208.12450	0.4
209.13287	1.0
210.13908	0.4
211.14838	1.5
215.14336	0.4
219.11668	0.5
220.12453	3.2
221.13266	0.9
223.14821	0.8
225.16360	0.7
234.13931	0.7
235.14726	3.5
249.16431	1.3
253.15865	0.6
255.13867	0.6
265.12207	0.4
277.15903	0.7
280.14725	0.4
295.16870	1.1
313.17892	5.2
417.24622	0.4
436.21136	3.7
559.24310	53.0
560.24664	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40623	0.4
55.19268	0.4
61.30164	0.4
67.05450	0.7
69.24146	1.8
81.07009	0.6
83.04921	0.6
91.05448	0.6
93.06987	0.5
105.06995	0.6
106.02859	0.7
110.88251	0.5
117.06969	0.5
117.51744	0.4
119.08457	0.6
124.03922	2.3
126.78754	0.4
127.61977	0.5
135.08012	0.7
141.06989	0.4
142.37257	0.5
143.08542	0.5
148.83241	0.4
156.09271	0.5
157.10020	1.2
169.09969	0.7
171.11607	1.3
172.41603	0.4
173.13237	0.5
179.08411	0.5
181.10040	0.6
182.06897	0.5
183.11690	0.6
185.09544	1.6
185.13208	0.5
187.11067	0.5
193.10042	0.6
193.21693	0.4
209.13263	1.1
223.14766	0.8
225.08723	0.8
251.14253	0.5
333.14572	0.6
335.12479	1.3
336.13226	0.6
351.15652	1.4
376.45844	0.5
378.14386	1.5
379.15115	40.4
380.15414	1.6
387.77423	0.5
393.16620	1.3
411.17703	0.6
423.13904	0.9
438.16428	2.6
453.18774	18.2
454.19254	0.7
471.19849	84.0
472.20212	3.7
487.13882	0.5
559.25073	100.0
560.25372	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	559.2515
Annotation	Kadangustin G
Peak:m/z	Relative Intensity
67.05468	0.6
69.13569	1.9
78.03451	0.7
79.05493	0.4
80.05018	0.3
81.07056	0.4
88.07617	0.4
89.06062	0.3
90.29768	0.2
91.05473	0.4
93.07015	0.6
95.08605	0.3
96.04488	0.4
98.22706	0.7
105.07025	0.9
106.02914	2.1
107.08612	0.6
111.04450	0.5
117.07037	0.5
119.08562	0.4
121.02871	0.4
124.03946	7.2
124.04771	0.5
127.93270	0.3
131.08536	0.3
133.10196	0.4
135.08067	0.6
141.06966	0.3
143.08574	0.3
145.10173	0.4
148.98988	0.3
149.02272	0.6
150.02658	0.4
157.10121	0.5
159.11682	0.4
176.39487	0.3
193.04993	0.4
193.10188	0.4
200.20068	0.4
201.12759	0.3
207.11629	0.3
211.15001	0.4
223.14867	0.4
226.62357	0.3
239.17834	0.3
247.11014	0.4
267.17157	0.3
295.16928	0.7
379.15240	0.9
394.39093	0.3
404.09201	0.4
411.17838	1.2
455.20380	2.0
471.19861	19.8
472.20233	0.9
499.23434	0.4
559.25104	100.0
560.25439	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	559.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40623	0.4
55.19268	0.4
61.30164	0.4
67.05450	0.7
69.24146	1.8
81.07009	0.6
83.04921	0.6
91.05448	0.6
93.06987	0.5
105.06995	0.6
106.02859	0.7
110.88251	0.5
117.06969	0.5
117.51744	0.4
119.08457	0.6
124.03922	2.3
126.78754	0.4
127.61977	0.5
135.08012	0.7
141.06989	0.4
142.37257	0.5
143.08542	0.5
148.83241	0.4
156.09271	0.5
157.10020	1.2
169.09969	0.7
171.11607	1.3
172.41603	0.4
173.13237	0.5
179.08411	0.5
181.10040	0.6
182.06897	0.5
183.11690	0.6
185.09544	1.6
185.13208	0.5
187.11067	0.5
193.10042	0.6
193.21693	0.4
209.13263	1.1
223.14766	0.8
225.08723	0.8
251.14253	0.5
333.14572	0.6
335.12479	1.3
336.13226	0.6
351.15652	1.4
376.45844	0.5
378.14386	1.5
379.15115	40.4
380.15414	1.6
387.77423	0.5
393.16620	1.3
411.17703	0.6
423.13904	0.9
438.16428	2.6
453.18774	18.2
454.19254	0.7
471.19849	84.0
472.20212	3.7
487.13882	0.5
559.25073	100.0
560.25372	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	559.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.4
53.03942	5.6
55.01868	10.5
55.05507	25.9
56.05013	3.3
57.02656	3.2
57.03419	3.9
58.04201	3.8
65.03930	3.8
67.05507	47.7
69.03419	2.9
69.07063	25.5
69.61098	4.7
69.61471	5.3
71.04993	9.3
71.92371	2.7
73.02910	10.6
73.06573	2.9
79.05482	58.0
81.03426	9.2
81.07053	100.0
83.04993	11.7
83.08611	22.2
84.04502	37.5
85.01131	5.8
85.06519	4.3
87.04475	6.7
88.03996	5.2
89.06029	29.1
91.05476	41.6
93.07040	54.5
95.04967	16.9
95.08597	42.3
97.06533	7.9
99.03300	4.6
104.70998	2.6
105.04459	3.7
105.07018	37.4
107.04958	25.9
107.08578	32.4
109.06511	44.0
109.10141	17.1
111.02717	3.2
111.08091	9.1
114.03738	3.1
115.05699	2.9
117.07010	12.9
119.04932	3.9
119.08575	39.4
121.02835	4.0
121.04560	10.0
121.06504	10.8
121.10139	35.1
122.02760	6.0
123.08057	16.3
123.11692	6.5
124.08097	3.2
125.09619	3.1
127.01548	17.1
129.07008	8.4
130.05017	8.3
131.08563	25.3
133.06506	3.4
133.08618	15.8
133.10107	25.8
135.08076	7.3
135.11678	21.5
137.09625	10.2
139.11163	5.3
143.05890	5.3
143.08574	11.5
145.06465	4.8
145.10100	19.3
147.08012	13.3
147.11638	19.9
149.05971	4.7
149.09628	17.1
149.13219	4.7
153.03125	21.0
157.10146	8.7
159.11682	9.3
161.09560	14.4
161.13248	9.6
163.11150	24.6
167.08839	3.1
169.10045	3.3
171.11713	10.6
173.09587	4.1
173.13242	5.1
177.09143	5.4
177.11278	6.4
177.12694	5.8
181.12265	5.4
185.13150	3.9
187.14983	3.8
189.12695	5.4
191.10640	13.7
197.05807	4.0
213.08104	3.7
213.16333	3.8
227.17926	5.1
231.17479	3.0
232.07060	6.4
247.20522	31.3
249.18489	11.8
251.07004	8.5
255.17490	6.5
265.21536	5.5
273.18463	16.9
291.19525	48.3
299.05417	3.1
309.20590	44.2
311.16489	14.6
311.21844	4.1
343.14496	3.1
368.22433	4.5
383.11453	3.9
384.22064	4.6
394.20486	5.9
412.21487	74.8
430.22580	67.9
435.67926	3.1
439.06433	4.7
467.16888	4.4
515.27960	4.7
541.25854	5.0
542.23975	5.8
559.27002	64.3
560.27130	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
58.04213	0.9
59.05001	0.6
65.44097	0.4
67.05493	1.1
69.03447	0.5
71.05017	0.5
71.43066	0.5
73.02912	3.1
73.06546	0.7
79.05486	0.8
80.05521	1.1
81.03426	0.3
81.07063	1.4
83.08640	0.4
85.02904	0.5
87.04461	3.8
87.04874	0.4
89.06028	12.4
90.06380	0.4
91.05467	0.8
93.07047	0.8
95.04948	0.5
95.08598	0.9
97.02951	0.3
101.06004	0.6
102.06817	1.0
105.07014	0.8
107.07073	0.5
107.08589	0.7
109.10163	0.6
113.06013	0.5
117.09139	0.6
119.08634	0.5
121.02887	1.5
121.10193	0.6
122.02775	0.4
124.03953	0.5
124.08073	0.4
125.11186	0.3
127.01537	1.7
127.03886	0.4
130.08632	0.4
130.33960	0.4
131.07014	0.6
131.08630	0.4
133.08595	6.5
134.08961	0.5
137.02364	1.4
138.05536	0.8
145.08556	0.6
146.09480	0.4
147.04420	0.5
153.03070	2.8
163.11270	0.5
164.27124	0.3
165.07257	0.4
167.03255	0.5
175.09740	0.4
177.11279	2.4
185.04237	0.5
187.08623	0.4
197.05841	0.6
221.13828	0.4
225.66469	0.4
230.11378	0.4
251.07103	0.6
271.04080	0.5
283.06018	2.1
311.21985	4.9
322.04343	0.4
383.11462	0.8
403.15622	0.4
421.16373	0.7
449.15964	1.0
455.25977	0.7
467.17007	3.0
473.27145	3.9
497.27301	0.5
500.73605	0.4
515.28253	30.3
516.28363	1.2
541.19855	0.7
541.26813	0.7
559.27234	100.0
560.27655	5.2
563.45050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01897	3.8
57.03446	2.9
58.35307	1.9
62.25326	1.9
68.99782	10.3
69.30878	6.5
69.31281	7.4
70.47396	2.0
71.07240	2.3
75.22985	2.2
91.05465	6.3
92.01376	3.7
92.99738	7.2
101.02391	5.8
103.05453	34.8
104.01457	2.4
104.10732	5.9
108.85458	2.3
119.03394	5.8
120.23283	2.1
124.03944	6.9
131.04916	100.0
138.01845	6.2
138.17256	2.9
140.03368	4.3
148.00291	8.1
152.03436	2.4
166.01338	10.0
167.02148	5.2
168.02890	12.6
178.01337	95.9
179.72119	2.5
185.03224	3.5
194.00806	3.0
196.02347	3.9
196.07578	2.4
208.02409	6.2
220.02347	6.2
222.00317	5.6
230.00824	3.5
235.06393	2.7
243.06657	2.3
246.00322	2.8
248.01817	18.4
249.99832	15.7
264.06418	4.0
266.02878	20.0
268.00854	80.9
270.07492	7.6
271.08438	7.8
272.09171	6.1
278.02844	3.1
282.07593	75.6
294.07202	2.7
306.07452	3.4
308.05472	2.6
324.08655	15.0
326.06595	2.8
334.01874	7.5
334.06979	7.5
352.04291	6.0
352.08084	29.3
354.06027	38.8
354.09793	6.8
378.06036	17.9
382.09198	19.2
410.08588	23.0
414.13434	11.5
436.10117	3.8
438.08011	43.1
438.13419	15.1
440.11310	5.6
456.14337	8.2
510.11566	3.4
524.13098	5.1
542.06421	24.5
542.13599	4.2
560.08295	4.3
560.16840	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	560.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01900	2.1
53.03941	2.7
56.81673	2.1
59.05002	4.4
68.99783	24.1
77.03933	3.4
79.05507	2.2
83.01344	3.3
91.05475	5.0
95.04969	24.2
103.05462	19.7
105.03391	100.0
105.04427	10.5
115.05448	3.0
121.06490	2.7
122.02448	2.7
124.03976	4.2
129.07007	3.1
131.04912	45.4
132.05223	2.8
138.01846	4.1
140.03429	12.3
147.04353	14.7
148.00357	4.1
148.03827	2.2
152.03427	3.1
154.05006	2.9
164.03410	5.0
165.04263	2.0
166.01392	3.8
167.02132	2.5
168.02986	4.3
175.07591	3.2
176.03345	1.9
178.01343	20.4
178.04971	2.9
180.06581	2.3
182.04607	3.2
185.00746	3.1
185.06017	10.6
187.07544	4.4
192.02908	39.4
194.00844	2.4
194.04451	15.0
194.34492	1.8
196.02530	2.3
203.06992	20.1
206.04535	12.2
208.06032	3.0
209.77496	2.5
210.03914	6.0
220.02385	20.7
222.00362	8.6
226.03232	3.1
236.01852	2.7
240.01396	3.4
241.04919	5.0
250.03461	15.1
252.05003	3.5
268.00916	4.2
270.07629	2.7
282.07480	11.0
296.09116	24.2
298.10562	14.7
309.09973	2.1
310.10733	5.9
324.08582	17.2
326.06567	14.6
340.08142	40.4
352.08328	4.3
354.06003	3.3
354.09668	15.2
354.13556	3.0
356.11386	3.5
378.05627	2.6
382.09119	4.1
384.10779	55.0
396.10754	7.1
414.11801	14.1
438.07996	3.3
455.13504	2.3
474.88651	2.1
482.12305	3.2
500.13361	3.2
500.82816	2.5
510.11743	3.0
542.08624	3.1
542.14807	25.0
559.22418	2.4
560.23218	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	560.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01864	0.4
55.05517	2.2
57.07080	2.0
59.04998	0.5
65.03931	0.6
67.05492	1.1
69.03424	1.2
69.07054	0.5
69.14544	1.6
73.02906	0.8
73.06554	4.9
78.03435	0.6
79.05485	0.9
80.04998	0.8
80.11389	0.3
81.03403	1.7
81.07043	1.1
85.02908	3.3
87.00819	0.9
87.04463	0.7
89.06015	1.0
91.05457	0.8
93.07016	0.7
95.04993	0.4
95.08598	0.6
96.04545	0.5
96.37227	0.3
97.02872	1.5
99.04446	0.6
103.07609	0.3
105.01870	0.7
105.07034	1.1
106.02906	1.2
107.08615	0.4
109.02871	1.0
109.10118	0.4
111.21159	0.3
117.07033	0.5
119.08579	0.6
121.02874	2.9
121.03731	0.4
124.03953	19.1
127.03882	1.7
129.07030	0.4
131.08569	0.7
133.08574	0.7
142.44829	0.3
143.08575	0.4
145.04956	0.3
145.10117	1.0
149.02336	100.0
150.02663	1.1
155.08611	0.4
157.10098	0.3
159.02921	0.8
159.11719	0.5
167.03426	1.0
169.10072	0.3
171.11723	0.7
197.13298	0.4
205.08591	12.0
221.08163	2.0
277.14343	21.4
278.14758	0.7
295.15411	1.0
298.07971	0.3
383.57932	0.3
392.22150	0.4
394.23761	0.6
410.23508	0.4
412.24814	0.7
422.23404	0.8
440.24271	5.6
458.25290	0.8
500.26437	2.3
576.03723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05508	2.0
57.07072	2.2
59.04997	0.3
65.03939	0.6
68.99805	0.3
69.03406	1.1
69.57899	0.7
69.58275	0.4
72.27948	0.3
73.02927	0.3
73.06554	0.3
81.03445	1.2
81.03865	0.3
85.02888	2.3
87.00813	0.9
93.03391	0.4
97.02888	1.0
105.01893	0.5
108.34283	0.3
109.02884	0.9
121.02847	2.4
121.03865	0.5
124.03943	2.5
125.04232	0.6
127.03902	1.2
128.34683	0.3
145.04973	0.7
149.02330	100.0
150.01625	0.3
150.02655	1.5
159.02756	0.3
167.03394	1.2
190.04994	0.3
203.06952	0.7
205.08591	20.5
206.08951	0.3
221.08076	1.0
222.73096	0.2
222.75452	0.3
261.76230	0.3
277.14319	9.6
278.14621	0.5
288.20230	0.3
295.15283	0.5
319.19107	0.3
356.88568	0.3
377.66269	0.3
439.23245	0.3
486.86551	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	560.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
54.68246	0.2
54.77576	0.2
55.01867	0.4
55.02625	0.2
55.05514	2.3
57.03436	0.3
57.07074	2.2
58.07873	0.2
65.03931	0.8
69.03432	1.2
69.14172	1.3
73.02926	0.3
73.06553	1.2
73.59013	0.2
81.03421	1.3
85.02905	2.4
87.00816	1.2
89.06075	0.2
93.07005	0.3
97.02888	1.1
99.04470	0.4
105.01875	0.6
105.13403	0.2
109.02870	1.0
110.05981	0.2
111.04374	0.3
121.02852	2.7
121.04014	0.4
124.03934	1.3
127.03905	1.1
138.05486	1.1
139.05814	0.3
145.04982	0.4
149.02335	100.0
150.02673	1.8
156.20319	0.2
159.02858	0.3
167.03375	1.3
190.04927	0.2
203.07040	0.4
205.08594	18.9
206.09013	0.2
221.08052	1.3
231.05132	0.3
277.14331	11.3
295.15359	0.7
409.74820	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	560.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25247	0.3
67.05473	0.4
69.03401	0.6
70.06590	0.8
70.53432	0.6
72.08137	0.4
78.04698	1.7
79.05501	0.9
81.03413	0.4
81.07038	0.3
85.02895	2.0
85.84898	0.4
91.05485	0.8
97.02874	0.8
100.07626	0.7
103.05495	0.4
105.04553	0.4
105.07049	0.6
106.04165	1.6
109.02876	0.4
121.02885	0.5
121.06490	1.4
122.03628	0.5
123.04428	4.1
124.05228	1.8
127.03922	0.6
128.98544	0.5
131.04939	1.1
133.06496	0.4
137.06035	0.4
145.04909	0.4
151.03868	1.4
152.04662	1.1
153.05489	0.5
161.06009	0.4
167.07031	100.0
168.07391	2.1
176.04733	0.4
180.08685	0.7
181.06447	0.7
181.08606	1.4
191.07039	2.5
193.08527	0.6
195.08128	0.5
197.06104	0.6
197.08165	0.4
258.08990	0.4
258.48199	0.4
273.11133	0.7
295.09583	0.7
301.10611	1.9
313.10721	2.7
333.13354	5.3
339.07269	0.5
345.13324	12.9
363.14352	0.9
464.25046	0.5
501.12152	1.0
522.61810	0.4
560.31134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03935	1.4
55.01862	0.6
55.05497	1.5
67.05492	1.5
69.03419	3.4
69.07056	0.9
69.24985	0.6
71.04999	1.3
71.43364	0.6
78.03457	4.4
79.05485	1.6
80.04995	3.2
81.03413	16.9
81.07037	1.5
83.04970	1.8
89.29879	0.5
91.05466	4.4
93.07030	1.9
95.04960	1.8
95.08590	1.8
96.04489	3.2
97.02890	1.5
97.06545	0.8
99.04445	1.9
100.08997	0.5
101.05997	0.8
101.27971	0.5
105.07027	3.5
106.02909	10.4
107.04935	1.5
107.08579	2.1
109.02860	5.9
109.06521	0.9
111.04436	2.0
116.06262	0.5
117.07020	2.9
119.04951	1.7
119.08573	4.4
121.06466	1.5
121.10132	0.9
124.03946	100.0
125.04282	1.1
127.03911	4.1
128.06221	0.8
129.06976	1.5
130.07732	0.7
131.04959	0.8
131.08575	4.7
133.06525	0.7
133.10133	1.7
135.11652	0.6
138.05487	1.0
141.07002	0.9
143.08560	3.4
145.06453	1.2
145.10115	4.3
147.04359	2.8
147.08064	0.8
155.08549	1.7
156.09373	1.4
157.10106	2.9
158.10866	0.9
159.08043	0.7
159.11688	1.8
161.09570	3.1
163.11169	1.2
165.06992	0.9
166.07767	0.8
167.08476	0.8
168.09322	0.6
169.10118	1.8
169.37396	0.6
171.08011	0.5
171.11641	2.8
173.09628	1.1
173.13237	9.7
174.13509	0.5
175.11195	0.8
177.12816	0.8
179.08536	1.0
181.10081	1.3
183.11723	2.0
185.09734	0.8
187.11171	1.2
189.12706	2.5
191.14349	2.8
193.10161	0.7
195.11691	1.2
197.09595	1.0
197.13162	0.6
199.11205	1.0
201.12675	2.4
203.14145	0.5
207.11768	0.7
213.12752	1.2
217.12215	0.9
219.13837	2.8
225.09108	0.6
225.12804	0.6
232.07037	0.7
233.07474	0.8
233.13332	0.5
234.07533	0.7
235.14825	0.7
249.14792	0.6
250.07109	10.4
251.16362	1.2
251.98616	0.5
263.14246	1.2
271.06030	0.5
271.13229	0.6
281.15350	1.7
289.14127	0.5
299.16376	1.5
309.14917	0.9
327.15784	1.2
361.02267	0.5
394.16513	4.1
404.18625	0.9
412.17490	2.1
422.19772	0.6
432.17865	0.7
450.19232	1.5
454.18402	0.8
468.20544	2.8
587.34167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
57.40110	0.3
62.83208	0.2
67.05494	0.6
78.03436	1.0
79.04242	0.3
79.05481	1.2
80.05015	5.1
81.07067	0.8
83.08607	0.3
87.04431	0.3
89.06034	0.5
91.05471	2.5
93.07031	1.2
95.04982	0.7
95.08611	1.0
96.04485	4.1
98.22628	0.7
103.05446	1.1
105.04487	0.5
105.07028	12.8
105.07744	0.6
106.02918	1.7
106.07372	0.6
107.05019	0.3
107.08577	1.1
117.06985	0.4
119.04977	0.3
119.08590	1.8
121.06506	5.7
124.03947	100.0
125.04259	1.6
127.01551	2.2
129.06982	0.7
131.08566	1.2
133.06424	0.4
133.10109	0.8
135.08083	0.4
139.01567	0.5
140.03416	0.3
141.06958	0.4
143.08562	0.8
145.10124	1.0
147.08038	4.7
149.09618	1.1
153.03111	1.3
155.08627	0.4
156.09314	0.7
157.10114	2.0
159.11670	1.4
165.09117	0.5
169.10161	0.9
170.10869	0.6
171.11754	1.4
173.09630	0.4
173.13298	0.4
177.34312	0.3
179.08620	0.4
181.10056	1.3
183.11700	0.9
183.55780	0.3
184.12500	0.5
185.13268	1.3
193.10139	0.3
195.11688	1.6
197.13268	0.8
199.14821	1.3
200.15669	0.3
207.11755	0.7
209.11520	0.4
209.13326	1.8
213.14462	0.4
213.16313	2.3
215.10709	0.9
222.14015	0.5
223.11095	0.3
225.12720	2.0
225.16267	0.4
235.14865	0.6
237.16383	2.2
238.16983	0.3
241.12183	1.4
251.17912	0.8
255.13762	0.5
269.15457	0.5
279.17480	0.8
297.18509	3.3
313.17969	0.4
315.19547	8.1
335.12512	2.2
438.22949	1.8
439.18747	2.4
489.08554	0.3
543.24701	0.3
560.25751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
53.03931	1.5
55.05501	2.2
57.07071	0.6
63.90447	0.4
65.03936	0.4
67.05500	3.7
69.03416	1.1
69.07043	1.5
69.46461	2.3
71.04962	0.9
72.38644	0.5
72.71114	0.5
77.03902	0.9
78.03454	9.9
79.05482	3.4
80.05019	5.2
81.07051	4.2
83.04955	1.7
83.08627	0.6
85.06509	0.6
89.06004	0.7
91.05476	4.2
93.07034	4.2
95.04964	3.8
95.08611	2.8
96.04483	3.7
97.02886	3.8
97.06506	0.5
103.05445	1.4
104.10727	0.7
105.03388	11.7
105.04478	0.9
105.07020	19.0
106.02913	18.3
106.07368	1.0
107.04985	0.6
107.08590	4.4
109.06534	1.0
109.10145	1.2
111.04451	2.4
111.08070	0.7
113.00014	0.9
117.07008	2.0
119.07744	0.9
119.08572	14.3
121.06498	1.0
121.10120	3.4
123.08063	0.8
124.03943	100.0
125.04256	0.8
128.06190	0.9
129.06987	1.6
131.08542	3.0
133.06525	0.4
133.10120	5.4
135.08078	1.2
135.11633	1.0
139.01558	2.7
139.07544	0.6
141.05440	0.7
141.06966	0.7
142.05534	0.4
142.07785	0.8
143.08553	3.0
144.09312	0.8
145.10112	4.5
147.08043	1.9
147.10564	0.8
147.11671	9.3
149.09596	1.4
155.07014	1.2
155.08514	1.5
156.09303	2.4
157.10115	6.1
159.11678	6.5
161.09595	1.4
161.13254	2.4
165.07057	0.7
165.09027	0.5
167.08511	0.9
169.10129	2.6
170.10909	3.5
171.11693	6.6
173.09700	0.6
173.13263	4.5
175.11227	1.0
175.14815	1.2
179.08571	0.5
180.09305	1.3
181.08578	0.7
181.10019	2.4
182.10931	0.7
183.04094	0.6
183.11670	2.1
184.12384	2.2
185.09598	0.6
185.13268	5.3
186.14096	1.1
187.11150	0.7
187.14818	1.1
189.12701	1.1
193.10097	1.2
194.10892	1.2
195.10097	0.8
195.11652	5.2
197.13268	2.2
199.11195	0.4
199.14775	5.0
201.12732	0.5
203.14258	2.4
204.15063	1.3
205.15872	0.6
207.11726	1.7
208.12474	0.7
209.13258	3.2
211.14838	1.8
213.12599	0.6
213.16351	1.5
220.12433	0.9
222.14069	2.2
223.14842	1.4
227.14265	0.6
227.17871	0.6
235.14815	1.6
237.12730	0.6
237.16350	5.5
245.11758	0.7
251.17892	1.9
255.17503	1.6
269.15411	0.6
269.18823	0.6
273.18378	0.8
279.17520	1.5
297.18503	2.7
315.19519	29.4
316.19901	0.9
335.02945	0.6
416.06012	0.5
438.22836	2.2
472.01526	0.5
552.36481	0.5
560.26349	67.3
561.26764	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	560.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
51.61892	0.3
53.03939	0.5
55.05500	1.1
57.07058	0.5
65.03934	0.4
67.05504	2.0
67.64893	0.3
69.03416	0.5
69.07046	1.2
69.36374	2.0
71.04981	0.6
77.56753	0.4
78.03445	3.2
79.05497	2.1
80.05008	3.0
81.07040	2.0
83.04976	0.5
87.04451	0.8
89.05988	0.4
91.05466	2.8
93.07033	3.4
95.04956	1.6
95.08585	3.3
96.04475	3.5
97.02886	1.1
97.06522	0.7
105.03394	1.5
105.06328	0.7
105.07018	6.2
105.07710	0.5
106.02916	7.4
107.08584	2.0
109.06522	0.5
109.10155	0.7
111.04440	0.9
111.08109	0.4
115.03927	0.4
117.07012	1.0
119.08553	4.1
121.06450	0.8
121.10136	0.9
124.03941	100.0
125.04279	1.5
125.05987	0.5
128.06184	0.8
129.06961	1.3
131.08565	2.7
133.08571	0.5
133.10098	2.4
139.07596	0.4
141.07018	0.9
142.07753	1.8
143.08537	4.4
144.09323	0.4
145.10107	4.4
147.11665	0.8
154.07761	0.4
155.07208	0.6
155.08543	2.8
156.09277	2.5
157.10132	8.1
158.10893	0.5
159.11679	3.9
161.13162	0.6
165.06992	0.7
166.07770	0.8
167.08562	0.9
168.09361	0.3
169.10117	2.8
170.10898	2.6
171.08162	0.5
171.11687	7.0
173.13281	1.4
179.08537	1.4
180.09355	1.5
181.10098	5.9
182.10909	1.1
183.11720	2.1
184.12483	1.3
184.60965	0.3
185.13228	5.3
186.14018	3.1
187.14809	1.6
193.10127	2.5
194.10904	1.1
195.11673	6.8
195.13455	0.4
196.12421	0.5
197.09555	0.4
197.13246	2.6
199.11131	0.3
199.14761	4.5
207.11734	2.2
208.12444	1.7
209.13210	4.5
211.14803	0.8
213.09108	0.7
213.12769	0.4
213.16389	1.1
215.10623	0.9
220.12482	0.7
222.14095	1.2
223.11322	0.6
223.14732	0.8
227.17958	0.7
235.14842	1.2
236.15543	0.4
237.12689	0.4
237.16319	5.6
241.12212	1.0
251.18034	1.3
255.13885	0.9
255.17444	0.7
273.18536	0.6
279.17340	0.4
297.18430	2.0
315.19498	15.0
316.20163	0.5
352.19473	0.4
438.22717	56.2
439.23071	2.4
522.68427	0.4
559.47156	0.4
560.26361	16.3
560.35071	0.8
561.26941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
53.03935	0.3
55.05499	0.2
59.04998	0.1
62.71092	0.1
63.84538	0.1
65.03931	0.1
67.05506	0.5
68.04998	0.2
69.03408	0.1
69.07051	0.2
69.19540	0.3
69.19941	0.2
73.02907	0.4
77.03901	0.2
78.03442	0.9
79.04206	0.2
79.05502	0.5
80.05013	5.1
81.07042	0.5
83.04976	0.2
87.04462	0.3
89.06014	0.8
91.05463	0.6
93.07036	0.6
95.04960	0.9
95.08584	0.4
96.03864	0.2
96.04487	4.2
97.02890	0.4
97.06487	0.1
103.05446	0.2
105.03384	5.1
105.04488	0.2
105.07018	3.7
106.02895	1.1
106.03616	0.2
106.07355	0.4
107.08575	0.5
109.06550	0.2
109.10123	0.1
111.04446	0.2
111.08062	0.1
113.05977	0.1
114.03805	0.1
114.28139	0.1
116.02837	0.1
117.07008	0.3
119.08572	1.2
119.67685	0.1
121.06499	0.3
121.10131	0.5
123.11690	0.1
123.91957	0.1
124.03942	100.0
125.04282	1.5
126.04485	0.2
129.07014	0.2
131.08574	0.7
133.08577	0.4
133.10144	0.6
135.08046	0.1
139.01559	0.3
139.07521	0.1
141.05440	0.1
142.07782	0.2
143.08545	0.4
145.10130	0.5
147.08012	0.4
147.11679	1.0
149.09601	0.3
153.06946	0.1
155.07045	0.2
155.08481	0.2
156.09320	0.2
157.10141	0.7
158.10828	0.1
159.11687	1.1
161.09686	0.2
161.13211	0.6
165.06924	0.1
167.08519	0.1
169.10135	0.3
170.10876	0.3
171.11662	0.9
173.13266	0.7
174.14059	0.1
175.14848	0.2
177.11212	0.2
177.12697	0.1
181.08606	0.1
181.10136	0.4
183.11729	0.4
184.07512	0.2
184.12457	0.3
185.13249	0.9
187.14804	0.2
193.10152	0.2
195.10115	0.1
195.11638	0.8
197.13272	0.3
199.14758	0.8
203.14265	1.0
204.14995	0.1
207.11777	0.2
209.13301	0.5
211.14822	0.3
213.16325	0.3
221.13336	0.2
222.14027	0.2
223.14922	0.3
225.12650	0.2
227.10530	0.1
227.14288	0.1
227.17928	0.2
228.06563	0.6
235.14848	0.2
237.16335	0.9
241.12173	0.1
251.17876	0.2
255.13910	0.1
255.17479	0.4
269.15573	0.1
269.19037	0.3
273.18512	0.3
282.16104	0.1
297.18460	0.9
315.19528	6.3
316.19916	0.3
323.16891	0.1
385.03082	0.1
437.23264	0.4
482.48532	0.1
560.26355	23.6
561.26733	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	560.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.2
53.03934	0.5
55.05500	0.1
65.12387	0.1
67.05492	0.3
68.05009	0.1
69.11226	0.3
69.11633	0.5
77.03912	0.1
78.03446	1.4
79.04217	0.1
79.05471	0.2
80.05012	5.5
81.07059	0.1
83.00097	0.1
83.04959	0.2
86.71309	0.1
91.05476	0.3
93.07050	0.3
95.04967	0.6
95.08588	0.6
96.04484	3.5
97.67648	0.1
105.03383	7.1
105.04498	0.2
105.07014	0.4
106.02893	0.9
107.08572	0.5
109.10148	0.3
111.04447	0.7
119.08565	0.6
121.10100	0.2
124.03941	100.0
125.03526	0.1
125.04294	1.4
126.04433	0.1
129.07011	0.2
131.08549	0.3
133.10115	0.5
135.11742	0.2
139.07472	0.1
143.08516	0.3
145.10101	0.5
147.11682	0.4
157.10121	0.4
159.11700	0.8
161.09668	0.1
163.11069	0.1
170.10966	0.2
171.11717	0.5
173.13268	0.2
177.12741	0.2
181.10109	0.2
183.11652	0.3
184.07600	0.1
184.12488	0.2
185.13290	0.4
187.14841	0.4
195.11646	0.2
197.13289	0.2
199.14815	0.5
205.15889	0.2
209.13203	0.3
211.14786	0.3
215.10724	0.2
228.06512	0.6
237.16379	0.3
241.12276	0.2
251.17957	0.4
255.13821	0.2
255.17393	0.1
257.15366	0.2
269.15387	0.1
269.19052	0.2
273.14944	0.2
273.18500	0.1
279.17358	0.3
297.18463	2.3
315.19534	1.8
350.11063	0.1
364.50900	0.1
420.21667	0.1
438.22760	0.2
476.65744	0.1
494.44235	0.1
542.25024	0.1
560.26337	8.9
561.26978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.29890	0.6
55.30210	0.6
59.58752	0.5
65.03922	0.8
67.05495	0.9
67.65104	0.5
69.60249	1.7
77.03936	1.3
78.03469	0.7
79.05486	6.7
80.05020	1.7
89.06027	1.6
91.05469	14.2
93.07037	5.9
95.04968	3.6
95.08581	0.7
96.04478	1.8
103.05466	8.5
105.04519	1.7
105.07022	100.0
106.02896	0.9
106.07356	2.1
107.04955	2.9
107.08599	0.9
108.50233	0.5
113.00019	1.0
117.06986	2.6
119.04930	1.9
119.08592	6.0
121.06496	43.1
122.06789	1.0
122.09172	0.5
124.03940	42.4
125.04304	0.8
127.01556	20.4
128.06221	1.7
129.06990	3.6
129.20557	0.5
131.08556	8.8
132.05699	1.6
133.06551	0.6
133.10109	1.8
135.08099	1.3
139.01550	1.3
145.06499	0.9
145.10147	1.0
147.08038	39.8
148.08458	1.3
149.09599	7.5
153.03088	13.1
157.10172	1.3
165.06985	0.7
165.09122	3.2
166.07758	0.9
169.09984	0.7
179.08511	0.9
180.74817	0.6
181.10124	2.4
183.04156	1.3
183.11674	0.8
188.15540	0.5
193.10159	0.6
193.12213	0.6
195.11635	0.7
197.05716	5.3
197.13220	0.6
207.11668	0.7
208.08670	0.7
209.11638	5.1
211.67638	0.6
213.16335	1.1
223.11229	1.6
225.12717	19.2
237.12508	0.6
241.08490	0.9
241.12125	0.6
249.12683	1.7
251.14343	2.3
269.15491	3.4
313.17917	2.6
315.19534	2.8
335.12521	16.6
336.12997	0.6
373.21625	0.9
420.88159	0.6
438.22751	1.7
439.18777	12.9
543.24896	1.1
560.25574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03938	1.1
64.60220	0.5
67.05502	1.0
69.00779	0.5
73.02912	0.7
75.46208	0.5
77.03918	1.6
78.03439	1.6
79.05490	4.9
80.05019	5.2
81.07073	0.9
87.04463	1.0
89.06032	1.0
91.05476	12.1
93.07051	4.8
93.39552	0.5
95.04968	4.3
95.08590	1.3
96.04494	3.9
103.05443	6.2
105.03423	0.8
105.04539	1.8
105.07024	89.2
106.02907	1.8
106.07364	2.0
107.04946	2.5
107.08601	0.9
109.10167	1.0
113.00005	1.3
115.05459	0.6
116.06287	0.5
117.06995	1.4
119.04919	1.9
119.08560	6.6
121.06498	36.1
122.06835	0.8
124.03945	100.0
124.99952	0.5
125.04317	2.4
127.01565	16.7
128.06172	1.6
129.06981	3.4
131.08560	6.8
132.05727	0.8
133.10133	1.0
135.08038	0.8
139.01534	1.5
143.08586	1.2
145.06468	1.4
145.10095	1.3
147.08038	38.5
148.08418	0.6
149.09604	7.0
153.03122	12.0
155.08534	0.8
156.09270	0.6
157.10114	1.3
159.11682	1.5
163.11119	0.6
164.93739	0.5
165.07045	0.8
165.09096	3.0
166.07806	1.1
167.08513	0.5
169.10120	1.1
171.11681	1.7
174.50391	0.5
181.10071	3.0
183.04173	0.6
183.11646	0.8
184.12416	0.6
185.13235	1.4
192.61446	0.6
193.10194	0.7
193.12309	0.6
195.11697	1.5
197.05783	3.1
197.13324	0.8
199.14835	0.8
207.11600	0.8
209.11659	3.9
209.13277	1.0
213.16377	1.4
215.06828	0.6
215.10646	0.7
223.11122	2.1
223.14772	0.9
225.12730	17.6
237.16360	2.0
241.08380	0.8
241.12175	0.7
249.12726	0.9
251.14165	2.5
253.16039	0.5
269.15347	3.5
279.17426	0.5
297.18454	1.8
313.17929	2.2
315.19531	6.2
316.20016	0.6
335.12512	16.4
373.21677	1.8
403.10358	0.5
438.22610	4.6
439.18753	14.1
440.19168	0.7
502.43210	0.5
543.25372	1.4
560.26135	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	560.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.2
57.07077	2.5
59.05001	1.5
67.05492	2.9
69.03424	1.5
69.22066	7.7
73.06554	3.8
78.03448	2.8
79.05486	2.5
80.05013	2.9
81.03429	2.2
81.07061	3.3
83.05002	1.3
84.25584	1.1
85.02928	3.8
87.00853	1.5
87.04478	3.8
89.06056	2.9
90.31892	1.0
91.05482	3.6
93.07043	4.0
95.08628	1.9
96.04522	3.5
97.02924	1.9
97.06544	2.1
105.07042	5.5
106.02928	5.7
107.08588	3.4
109.10222	1.9
113.94566	1.2
117.07049	2.5
119.08538	1.6
121.02895	3.5
121.06532	2.0
124.03951	92.4
125.04272	1.2
127.03883	1.6
131.04971	1.4
131.08589	2.0
133.08621	1.5
133.10138	2.0
135.11720	1.8
143.08601	1.8
145.10149	5.0
149.02338	100.0
150.02675	1.9
156.09363	2.2
157.10133	2.5
157.14273	1.3
159.11693	2.8
169.10223	1.3
171.11687	2.0
173.13303	1.4
183.11787	1.5
205.08607	13.3
225.53314	1.5
254.50804	1.3
264.58023	1.6
277.14365	23.0
296.42908	1.3
354.27750	1.3
394.23865	1.6
412.24832	3.7
422.23096	2.2
440.24384	19.9
458.25189	2.1
470.72809	1.3
500.26590	6.8
570.04901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43869	0.6
51.64919	0.5
53.09636	0.6
55.01870	0.6
55.05495	2.3
57.07075	6.0
59.38401	0.6
67.05514	3.5
69.03416	2.2
69.07067	1.4
69.73827	1.6
78.03461	3.2
79.05483	2.9
80.05001	2.4
81.03416	1.0
81.07063	4.1
83.04965	2.1
83.08602	0.9
85.02898	1.3
85.06567	0.5
87.04454	1.1
89.06005	0.8
91.05486	3.6
91.51510	0.6
93.07039	2.1
95.04976	1.9
95.08610	2.8
96.04474	2.2
97.02859	0.8
97.06528	3.7
105.07039	4.2
106.02908	8.0
107.08597	3.2
108.04454	1.0
109.02862	0.9
109.06553	0.7
109.10130	1.6
112.24412	0.6
113.05997	0.7
115.05403	0.7
117.07017	2.7
119.08587	3.1
121.06516	0.9
121.10146	1.4
124.03950	100.0
124.28174	0.6
125.04288	0.7
127.03920	1.4
129.06989	2.1
131.08578	3.6
133.10091	2.2
135.08054	0.6
135.11719	0.9
138.05504	1.2
142.07706	1.3
143.08545	2.8
145.10123	5.9
147.11699	1.5
149.02339	31.8
155.08519	2.1
156.09271	1.0
157.10127	3.5
159.08018	0.7
159.11688	3.0
161.09637	1.0
167.08493	0.9
169.10123	2.5
171.11679	2.7
173.13313	1.5
173.56569	0.6
177.11319	0.6
183.11659	1.8
185.13298	1.7
187.11142	1.3
187.14787	3.3
195.11676	2.0
196.12411	0.9
197.13246	1.7
203.14349	0.7
205.08578	3.3
205.15923	1.2
211.14859	2.1
213.16411	1.0
215.14314	0.8
221.08063	1.1
225.16629	0.8
229.15878	1.0
236.09172	5.2
253.15878	0.7
253.19508	0.8
263.17859	0.7
267.15854	0.7
277.14276	3.2
281.19049	2.1
289.31937	0.6
299.20117	1.3
394.23639	2.4
404.22122	2.7
412.24979	1.6
422.23230	4.5
440.24301	16.6
441.24701	1.0
458.25174	1.8
500.26556	5.8
501.26770	0.9
560.28259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.9
53.03934	1.2
55.05517	1.9
57.07065	3.0
67.05508	4.8
69.07066	2.9
69.09850	5.9
71.08619	4.1
77.03925	2.8
79.05492	4.6
81.07050	8.5
82.54183	0.9
83.08629	1.6
84.36964	0.8
85.10182	3.5
87.04453	2.3
89.06025	11.9
91.05463	8.8
93.07040	7.2
95.04962	13.8
95.08604	12.0
97.06503	0.8
98.22612	1.4
99.30041	1.0
103.05473	1.6
105.03390	100.0
105.04407	5.3
105.07028	26.6
106.07370	2.7
107.08587	6.3
109.10156	5.9
111.04434	5.3
117.07004	3.3
119.08576	22.7
121.06519	6.8
121.10136	3.2
123.11736	0.9
124.03953	2.5
127.01545	1.9
128.06180	1.0
129.06987	1.8
131.08560	6.7
133.08614	8.1
133.10123	21.2
135.08081	1.6
135.11693	2.6
139.01517	1.4
142.07794	1.2
143.08542	3.3
145.10124	9.6
147.08026	2.9
147.11665	10.4
149.09659	0.9
151.07504	1.1
153.03096	2.2
155.08540	3.3
156.09280	1.0
157.10139	5.2
158.10889	1.1
159.11665	11.5
161.13229	4.3
164.39772	1.0
165.07104	1.0
165.09148	3.4
168.09390	1.0
169.10181	4.8
171.11656	5.3
173.13237	6.3
177.11201	1.8
181.10027	1.6
183.11705	6.6
184.12334	1.2
185.13258	5.9
186.14056	1.0
187.11137	1.3
187.14786	2.4
188.15569	1.3
189.09180	0.9
189.16446	2.5
191.10666	2.0
195.11653	1.5
197.13217	7.9
199.11104	1.3
199.14786	4.8
201.16353	7.6
203.10657	1.3
205.12135	1.6
209.13297	1.2
211.11299	1.1
211.14787	5.4
213.16397	2.0
215.10628	1.3
217.12320	1.7
225.12756	2.6
225.16295	1.3
229.12123	1.7
237.16353	2.0
239.14265	1.6
239.17947	5.4
243.13780	3.4
253.19508	10.4
255.21141	1.7
257.15344	2.8
261.22220	2.0
263.17886	1.1
271.20444	1.6
281.19012	7.1
299.20035	47.3
300.20264	1.5
305.24582	2.7
349.27203	1.6
368.73636	0.9
384.43628	1.1
403.23166	4.7
421.23550	1.8
483.52087	0.8
543.27301	2.3
543.38879	2.0
561.39703	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01879	2.2
55.05506	17.1
57.07079	3.8
63.88606	1.6
67.05497	30.1
69.07062	16.6
70.81055	2.3
77.03942	3.3
79.05492	76.9
81.07053	35.7
83.04980	2.2
83.08609	5.7
85.02907	2.4
87.04469	21.8
89.06052	3.9
91.05475	28.4
93.07043	83.8
95.04976	11.2
95.08608	25.1
97.10172	5.0
105.04520	6.5
105.07033	33.3
106.07343	1.9
107.08594	48.0
109.10148	15.1
117.07037	4.6
119.08584	9.9
121.10138	46.6
121.10984	3.1
123.11736	3.3
124.04007	2.0
127.03970	1.7
129.07063	3.0
131.08582	7.0
133.10114	13.3
135.11696	50.5
143.08580	2.1
145.10144	4.8
147.11758	5.7
149.09599	3.3
149.13235	22.7
159.11732	4.8
161.13374	4.4
163.14810	4.5
171.11649	2.7
173.13300	3.5
175.14857	2.0
185.13286	2.5
187.38760	1.8
187.91307	2.0
193.12190	2.8
195.13873	2.8
199.14806	2.7
213.16541	2.2
221.15366	2.9
235.16879	3.5
241.19357	4.8
259.20663	5.3
277.21625	100.0
278.22110	3.4
496.47876	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	560.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	12.9
55.01860	18.1
55.05498	17.1
57.03431	15.3
61.02923	10.9
64.37363	4.1
67.05502	56.7
69.03426	48.2
69.07072	20.6
71.04989	35.1
71.07355	6.3
71.42840	5.8
72.08865	4.3
73.02918	13.2
74.34598	3.7
75.17049	4.1
75.98856	4.2
79.05481	76.2
80.05026	4.9
81.03411	71.1
81.07050	66.7
83.04974	10.3
83.08614	13.0
85.02897	95.8
86.09698	8.7
87.00815	43.2
87.04443	8.5
89.06020	5.9
91.05479	39.4
92.47012	4.5
93.07045	92.5
95.04970	27.8
95.08593	55.7
96.04502	6.6
97.02876	46.3
97.06512	13.2
99.04452	20.9
104.10733	23.4
105.01849	40.9
105.03389	5.7
105.07022	34.3
106.02913	8.1
107.04941	7.1
107.08593	51.6
109.02857	44.8
109.10139	18.9
111.08102	7.5
117.01833	4.1
117.06985	16.2
119.08568	27.4
121.06476	5.8
121.10139	91.0
123.08041	4.5
123.11701	7.8
124.03949	57.1
124.99976	6.9
127.03903	68.6
129.07019	6.4
131.08551	18.4
133.08626	5.8
133.10091	17.6
135.11685	75.3
143.08640	7.6
145.04976	30.7
145.10115	22.3
147.11659	7.7
149.13252	27.0
155.08594	6.9
157.10104	13.5
159.02844	22.3
159.11690	7.4
163.11176	35.3
171.11662	4.9
173.13272	4.9
175.11086	5.1
177.12782	5.4
181.12236	5.4
184.07321	20.0
185.13150	4.3
193.12207	9.1
195.13716	8.7
198.20601	4.1
203.10869	4.8
206.40855	4.1
227.12793	26.6
231.05002	21.0
241.19421	6.9
259.20486	12.5
267.15857	52.5
277.21600	100.0
283.15375	33.4
295.22751	9.3
297.07614	48.7
314.11752	4.7
471.19797	5.6
472.20181	41.6
475.26950	49.8
476.27563	4.9
482.25552	5.5
489.24673	8.2
500.26697	5.1
560.25403	17.2
561.26447	8.4
585.09174	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	560.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
62.85713	0.2
67.05495	0.3
67.30573	0.2
69.03428	0.7
69.06633	1.4
70.06590	0.4
75.50761	0.2
76.29602	0.2
81.03403	0.5
81.07022	0.3
85.02892	1.1
86.09726	0.2
87.00829	0.5
87.04462	100.0
88.04789	0.8
89.06028	0.8
93.07069	0.3
97.02885	0.9
98.23440	0.5
100.11253	0.9
105.01851	0.8
110.06012	0.3
111.04406	0.3
113.05993	0.4
121.02827	0.6
121.06472	0.5
124.03899	0.4
127.03931	0.6
131.07031	2.6
133.06494	0.2
133.08591	0.7
137.12556	0.2
137.89275	0.2
140.01611	0.2
143.08502	0.2
145.06450	0.3
147.04425	0.5
153.01762	0.3
154.04997	0.3
157.10179	0.3
159.11646	0.3
168.00621	0.2
169.10197	0.3
175.09653	0.4
181.01335	0.2
181.04948	2.1
202.65428	0.2
210.14975	0.4
219.12199	2.0
221.13780	0.2
247.06015	0.7
265.07059	1.0
273.03885	0.5
273.14899	1.2
289.95721	0.2
301.03250	0.2
302.04190	1.0
303.04935	0.3
384.11633	0.5
385.12527	0.7
391.56894	0.2
399.10696	1.4
445.71747	0.2
495.60452	0.2
560.33197	1.3
560.40955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.4
57.07076	20.1
59.05001	100.0
69.07071	3.7
71.08633	34.7
79.05495	6.7
79.24123	2.3
83.29549	2.1
85.10183	15.6
87.04470	8.4
89.06035	21.4
91.05463	16.0
93.07047	9.2
94.58791	2.2
95.04977	6.5
103.05485	4.2
103.07579	77.2
105.07034	93.9
106.07370	18.6
119.04963	2.8
119.08592	4.2
121.06500	26.7
124.03941	8.2
127.01576	24.3
131.08577	5.1
133.08592	9.5
135.07994	4.2
147.08113	7.8
147.10147	24.1
149.09592	4.4
165.09134	8.9
177.11156	2.9
202.13373	2.3
209.11725	6.3
225.12718	5.8
226.13116	3.6
247.07283	13.9
247.20383	14.5
248.07680	8.6
251.14482	3.3
252.14639	3.3
273.21973	3.9
291.23096	18.7
351.13541	4.5
560.41675	18.7
561.30017	5.2
561.39539	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	561.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87160	0.7
70.28807	1.6
70.29144	0.8
75.23915	0.7
98.23466	0.8
121.86443	0.7
188.97913	5.3
206.98959	1.0
259.49771	0.7
263.03146	11.0
274.45319	0.8
291.02621	100.0
292.02966	4.4
292.05740	1.0
293.04181	29.6
299.09137	1.1
445.71317	0.8
523.08569	1.1
561.06439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92452	0.7
56.96565	10.6
63.07128	0.7
68.94510	0.7
76.16214	0.7
84.96033	5.4
98.97584	31.4
106.96169	0.6
110.97561	12.0
112.99134	2.1
116.98630	13.4
127.28033	0.6
128.98611	13.2
131.00183	1.2
134.99644	3.6
140.98590	2.8
143.00145	4.4
144.98088	1.3
146.99646	6.5
149.01215	1.3
152.11145	0.8
152.98636	0.8
158.99651	6.6
160.99142	1.9
161.01225	5.6
162.99158	1.4
163.00726	1.3
167.07066	1.4
170.99670	4.3
177.00670	7.4
179.00175	8.0
179.02409	0.8
181.01740	4.4
182.99698	1.2
189.00696	4.0
193.01721	3.7
195.01736	1.1
197.01222	13.7
199.02797	5.2
201.00716	3.1
209.01237	1.1
209.97823	0.7
210.02116	0.8
211.02759	12.1
215.02295	2.5
217.03842	0.9
219.01758	20.4
221.01183	0.9
223.02759	1.6
227.02293	4.3
228.03056	0.8
229.03845	21.5
235.02818	1.7
237.02805	30.9
239.02321	2.4
241.03783	3.2
245.03246	1.0
247.04945	4.0
253.03876	12.5
255.03737	1.7
257.03397	3.9
265.03741	1.5
267.05447	1.4
271.04895	12.5
277.03778	1.1
281.03397	1.2
283.04855	2.6
295.04849	4.5
307.04883	5.5
313.05814	1.6
325.05884	1.8
343.06628	1.0
355.06982	72.6
356.07285	1.6
373.08054	100.0
374.08524	3.7
396.09558	3.7
427.09091	1.7
441.10678	4.6
483.11911	3.7
501.12833	22.8
502.13055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
66.83951	0.3
68.99783	3.7
69.03439	0.3
69.07066	1.5
70.06587	1.5
72.08148	0.8
77.82909	0.3
79.05483	1.2
84.04537	0.4
84.08153	0.6
85.02891	0.6
85.24136	0.3
86.09683	1.5
91.05470	0.5
95.04955	0.7
95.18941	0.3
95.85599	0.3
97.06535	4.5
98.76061	0.3
105.03374	1.3
107.04972	0.7
119.04936	1.2
121.02856	0.9
121.06523	1.0
123.00775	1.0
129.10205	0.6
133.06416	0.3
135.04408	4.5
137.02327	1.8
137.03271	0.3
138.05510	2.7
139.00255	6.3
139.05829	0.7
147.04391	4.4
163.03900	0.4
166.99789	0.5
168.00554	1.3
169.01329	4.3
173.06006	0.3
175.03851	0.4
185.00813	3.0
186.01566	0.7
203.03397	0.4
227.03435	0.4
245.04393	0.4
247.05888	0.4
257.04404	2.1
258.04819	1.0
259.05011	0.9
261.11792	0.3
265.07056	4.8
273.03922	33.5
274.04434	0.5
279.06528	0.4
285.03961	2.5
286.04510	1.4
287.05197	1.7
288.05774	0.9
289.06177	0.7
291.06653	0.4
293.40228	0.3
301.03406	24.7
302.04184	9.3
303.04959	24.6
304.05295	0.7
305.08145	0.5
309.03894	0.4
309.07657	0.5
314.12305	0.3
315.04675	0.5
327.04883	0.4
355.08057	0.5
363.08594	0.5
383.11386	1.8
384.11526	2.0
385.12613	17.2
386.12738	0.4
387.08640	0.4
393.09219	0.6
399.10718	100.0
400.11081	3.1
423.09409	0.6
441.10785	0.7
525.13599	0.5
543.21948	0.5
561.18488	4.6
586.08612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.4
53.03938	0.8
67.05462	1.3
68.87524	0.4
69.03394	0.6
73.02877	0.5
78.03416	1.2
79.05453	1.2
80.05010	5.8
81.03400	0.6
81.05344	2.2
81.07047	1.9
82.05647	0.4
91.05443	1.0
93.07007	1.6
95.04967	2.0
95.08570	1.0
96.04482	4.7
96.05136	0.5
96.05241	0.4
97.04853	1.9
97.05384	0.4
98.22621	0.8
102.97649	0.5
105.03383	7.4
105.04480	0.7
105.07010	1.8
106.02914	1.0
106.03706	3.8
106.07356	0.5
107.03838	0.9
107.08562	1.2
109.02863	0.9
109.10090	0.6
111.04456	0.6
118.73578	0.4
119.08569	1.5
120.08920	0.5
124.03944	100.0
125.04298	44.9
125.83843	0.3
126.04424	18.6
127.03945	0.4
127.04730	3.1
129.13568	0.4
131.08556	0.6
133.10133	0.7
135.11729	0.4
138.05496	0.6
141.04027	0.4
142.07661	0.4
143.08575	0.4
145.10109	0.8
157.10107	0.4
158.10445	0.5
160.12120	0.5
177.12439	0.5
296.17676	0.5
297.17831	0.7
298.18155	0.4
309.73798	0.4
315.19028	0.5
335.25787	0.4
520.24426	0.4
544.17816	0.4
560.26184	1.3
561.26617	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65961	3.5
53.03980	3.2
55.05502	12.8
56.96558	26.0
67.05504	10.9
68.56946	3.8
69.03425	28.4
69.78697	6.2
79.05487	7.3
81.03413	14.3
81.07048	11.3
83.04979	20.5
89.66123	4.0
91.05483	12.4
93.07033	12.7
95.08611	13.6
98.23494	4.4
98.97594	15.9
103.05475	7.7
105.07064	17.3
107.08578	8.7
109.02914	4.0
111.04439	32.3
116.98623	20.2
117.06990	3.9
119.08578	14.3
121.10146	7.5
124.13073	3.6
131.04939	15.2
131.08577	8.3
133.10143	11.6
134.99649	8.9
135.11644	4.0
143.08536	7.4
145.01704	11.5
145.10115	14.4
147.11758	4.9
153.13503	3.9
157.10150	6.3
159.11676	7.7
163.02782	27.9
169.01755	5.7
169.10074	6.6
173.01253	3.7
175.14830	4.5
178.01379	7.1
181.03867	11.8
181.10214	6.2
185.13254	5.0
187.02902	4.7
187.14825	20.8
205.15802	8.6
267.55731	4.5
268.00912	6.1
277.11115	5.4
282.11041	3.8
289.11295	4.2
327.12546	4.8
337.27158	4.4
341.14392	4.7
353.14212	11.9
357.73541	3.6
371.15265	18.6
378.80203	3.4
387.14566	3.5
389.16360	4.8
413.16302	15.6
431.17368	10.6
441.19543	20.5
459.20752	14.4
501.21661	25.8
519.22607	40.9
543.09082	9.8
561.23553	100.0
562.23419	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	561.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.6
51.02367	0.8
53.03941	0.5
53.61922	0.4
55.05493	1.3
59.71477	0.4
67.05502	3.0
68.05039	0.5
69.04508	0.5
69.07058	1.1
69.32670	0.8
69.33079	1.4
71.04984	0.9
78.03450	11.2
79.05491	2.0
80.05011	5.1
81.07047	2.6
83.04968	1.2
91.05470	3.7
93.07042	4.5
95.04972	1.4
95.08597	3.0
96.04478	4.2
97.02866	1.6
105.07021	6.9
106.02910	22.8
107.03268	0.7
107.08587	3.7
109.06553	0.7
109.10088	0.7
111.04427	1.8
111.08093	0.7
117.07001	1.4
119.08584	10.1
121.06567	0.5
121.10125	2.7
123.11761	0.4
124.03944	100.0
125.04284	1.6
125.06007	0.4
128.06195	1.0
129.06996	1.3
131.08562	3.3
133.10129	3.4
135.08023	1.0
135.11659	0.6
139.07553	1.1
139.36957	0.5
141.05420	0.7
142.07808	1.5
143.08560	3.4
145.10146	4.1
147.11682	5.4
149.09557	0.5
155.07011	1.1
155.08589	1.5
156.09338	1.9
157.10114	6.0
159.11699	4.6
161.09599	0.8
161.12022	0.4
161.13283	1.5
165.06992	0.5
166.07806	0.6
167.08516	1.1
169.10146	2.4
170.10895	3.0
171.11688	5.7
173.13229	2.2
175.11212	0.5
175.14804	1.0
179.08604	1.2
180.09387	1.4
181.08669	0.7
181.10126	2.7
183.11691	2.0
184.12497	1.2
185.09680	0.6
185.13239	4.2
186.14055	2.0
187.11295	0.4
187.14795	1.7
189.12781	1.0
193.10121	1.6
194.10905	0.8
195.10059	0.8
195.11661	5.4
196.12509	0.6
197.13206	2.5
198.13914	0.5
199.14784	5.5
201.16473	0.7
203.14351	1.6
204.15074	1.3
205.15912	1.1
207.11696	1.6
208.12364	0.9
209.13237	2.9
211.14899	1.3
213.16406	1.2
215.10759	1.0
220.12421	0.7
221.13297	0.6
222.14151	1.2
223.14783	1.5
227.17975	0.4
229.06232	0.7
235.14851	0.9
237.16385	5.4
238.17061	0.5
241.12280	0.9
251.18051	0.9
255.13683	0.5
255.17421	0.7
297.18558	1.7
315.19510	15.6
318.34018	0.5
349.10559	0.4
438.22708	20.6
439.22842	0.7
549.41223	0.5
561.25873	63.1
562.26215	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	561.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
51.26663	0.2
52.09494	0.2
53.03931	0.3
67.05495	0.5
69.07062	0.2
69.20033	0.7
69.20444	0.3
78.03452	2.6
79.04237	0.2
79.05461	0.3
80.05006	4.8
81.07053	0.4
83.04974	0.2
83.08620	0.2
91.05481	0.6
93.07021	0.7
95.08608	1.1
96.04488	3.5
105.07000	1.0
106.02905	6.8
107.03274	0.2
107.08578	1.0
109.06516	0.2
109.10161	0.3
111.04440	1.6
111.08050	0.2
115.49454	0.2
119.08566	1.2
121.06532	0.3
121.10113	0.7
123.08042	0.3
124.03941	100.0
125.04309	1.6
131.08542	0.5
133.10115	0.6
135.11696	0.5
139.07521	0.3
142.07784	0.2
143.08551	0.7
145.10112	1.1
147.11670	0.9
149.06163	0.2
149.13272	0.2
152.42905	0.2
155.08495	0.2
156.09401	0.3
157.10110	0.7
159.11699	1.5
161.09630	0.3
161.13196	0.4
168.38560	0.2
169.10057	0.4
170.13324	0.2
171.11647	1.0
172.12384	0.3
173.09560	0.2
173.13274	0.4
175.14896	0.2
177.12698	0.2
181.10156	0.3
183.11729	0.3
185.13303	0.5
187.14862	1.1
191.10594	0.2
193.10164	0.2
195.11717	0.5
196.12379	0.2
197.13280	0.6
199.11172	0.3
199.14775	1.2
203.10704	0.5
203.14259	0.2
205.15869	0.5
209.13275	0.6
211.14862	0.5
213.09029	0.2
213.16434	0.2
215.10741	0.3
227.17920	0.4
229.06079	0.7
233.11647	0.2
237.12671	0.3
237.16347	0.6
241.12209	0.3
241.19479	0.2
251.14149	0.3
251.17976	0.7
253.19421	0.2
255.13818	0.3
255.17477	0.6
257.15305	0.3
269.18970	0.5
273.14624	0.4
273.18652	0.3
279.17538	1.0
297.18454	3.6
315.19516	2.4
413.59369	0.2
420.21661	0.8
438.22574	1.6
543.24927	0.5
561.25836	6.8
561.34570	0.4
562.26324	0.3
581.38293	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	561.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95350	0.1
52.01883	0.1
53.03938	0.2
53.16607	0.1
67.05492	0.2
74.81438	0.1
78.03448	1.0
79.04225	0.2
79.05479	0.2
80.05009	3.9
81.07047	0.1
91.05474	0.2
93.07009	0.3
95.08593	0.3
96.04489	3.0
98.29695	0.1
101.67222	0.1
105.06983	0.3
106.02901	0.6
107.08575	0.2
119.08568	0.5
124.03942	100.0
125.04291	1.3
129.63725	0.1
132.27873	0.1
133.10138	0.4
141.06824	0.1
142.07716	0.2
143.08604	0.2
145.10103	0.3
155.07013	0.2
157.10104	0.4
159.11685	0.5
169.10126	0.3
170.10855	0.2
171.11690	0.7
181.09996	0.2
185.13248	0.5
186.13982	0.2
187.14842	0.2
195.11700	0.4
199.14838	0.2
207.11635	0.2
211.14900	0.2
237.16385	0.4
297.18448	0.2
315.19513	3.5
341.47092	0.1
438.22708	4.5
439.22781	0.3
561.25934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91299	0.8
55.05524	1.0
57.04467	0.9
57.07070	4.8
59.04995	24.8
60.05327	1.9
67.05494	2.9
69.07052	1.3
69.16338	4.6
71.08621	8.9
72.08943	1.5
73.06562	1.5
74.23601	0.9
74.47385	0.8
79.05470	5.5
81.07055	3.5
85.10184	4.6
85.44507	1.0
87.04472	3.3
88.83239	0.8
89.06024	7.5
91.05481	4.2
93.07033	4.0
95.04948	2.3
95.08555	1.1
98.22759	1.7
101.23838	1.1
103.05470	3.4
103.07574	21.5
104.07934	1.9
105.04573	1.0
105.07018	57.7
106.07351	3.9
107.08585	1.5
112.99991	1.1
119.08569	1.2
121.06496	6.7
121.10222	1.2
122.06844	1.0
124.03954	2.2
125.00021	2.2
127.01589	4.7
131.08508	2.2
133.08595	2.8
135.08055	0.9
135.11681	1.1
136.83583	1.1
139.01576	3.3
145.10126	1.1
147.08061	2.2
147.10130	9.3
148.10480	2.1
149.09654	1.8
153.03110	3.1
157.10185	1.1
165.09120	2.7
176.12881	0.9
191.12781	1.4
204.24104	0.9
215.84666	1.0
225.12749	1.8
227.06857	1.1
247.20595	2.7
251.14363	1.6
291.23022	5.1
292.23499	3.2
337.15729	1.6
367.16327	1.3
413.18796	8.0
428.20947	3.2
441.20230	1.3
452.60974	1.2
456.22900	1.3
457.23410	1.3
553.87445	1.2
560.41400	1.7
561.29553	100.0
561.39557	70.0
562.29926	5.6
562.39789	2.0
575.34192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3969
Annotation	(+)-Strempeliopidine
Peak:m/z	Relative Intensity
55.05495	0.8
57.07084	0.4
59.22531	0.3
65.58506	0.4
67.05499	2.7
69.07056	0.7
71.04982	1.5
79.05482	2.7
81.07061	3.6
82.16779	0.4
83.08598	0.5
91.05478	1.4
93.07033	2.3
95.04942	0.4
95.08600	1.4
96.64124	0.4
98.22681	0.6
103.05412	0.4
103.30983	0.4
105.07016	8.2
106.07281	0.5
107.08602	0.8
109.10152	0.7
117.07045	0.6
119.08604	0.7
121.10133	1.0
123.11689	0.6
124.03964	1.2
125.01595	0.4
127.01604	0.5
131.08585	0.6
133.10178	1.1
139.01514	0.5
149.13239	0.4
183.13754	0.4
222.93552	0.3
293.21063	0.5
345.80707	0.4
561.39648	100.0
562.39960	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	562.147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23846	1.3
66.14040	1.2
67.23016	1.4
70.06583	1.8
75.71079	1.6
76.92048	1.3
88.59484	1.4
101.13532	1.4
103.05493	2.7
128.16301	1.4
131.04895	9.2
201.13266	1.4
213.05411	3.5
225.05186	32.6
242.05246	1.4
242.07841	1.3
265.04822	5.8
291.06506	2.4
292.02975	2.7
293.06805	3.8
294.07672	1.5
304.06088	2.2
320.09036	4.7
359.07739	2.0
360.08374	86.7
361.08859	3.0
364.49274	1.7
372.08420	16.9
374.09888	1.9
401.11508	1.7
415.27396	1.5
430.09338	1.9
458.08704	5.4
544.13745	11.5
562.15045	100.0
563.15326	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	562.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22589	0.8
53.85744	0.8
55.01860	3.3
56.05027	1.7
56.07437	0.7
56.98014	1.3
58.99592	1.3
59.39293	0.7
68.99792	1.2
69.03439	0.9
70.06555	0.8
77.02608	0.8
83.06108	5.9
84.04012	1.5
84.04500	19.0
84.97488	51.2
85.01136	1.2
86.99039	1.6
91.05463	1.4
97.01112	1.0
99.05535	1.5
103.05463	4.6
105.03384	1.9
105.07024	14.3
107.06017	0.8
109.07628	1.6
110.99031	4.5
112.03957	2.0
113.00583	5.3
125.00569	1.6
129.06586	8.9
130.05003	10.1
131.04929	12.2
134.98965	1.0
137.00552	0.9
137.02353	1.5
140.96388	2.2
141.00040	10.4
145.06105	1.4
147.07761	0.9
147.60069	1.0
153.00070	4.8
153.06548	1.6
154.97951	6.5
155.08171	0.9
162.98479	18.4
168.99773	0.9
169.01378	1.4
178.83311	0.9
180.99538	75.9
181.06108	1.5
182.97462	6.6
184.99036	16.5
189.00011	0.9
190.97935	5.0
192.99516	2.2
194.97345	0.9
199.00586	10.9
199.07191	2.1
200.98520	100.0
201.98819	1.8
207.01056	1.1
208.99030	31.8
221.04192	1.1
225.05482	1.1
226.06236	1.9
227.00069	17.2
236.00046	1.3
236.98531	6.4
239.05301	2.0
241.03178	7.3
243.04720	2.4
253.03146	1.4
254.01234	1.5
254.99576	3.7
259.04193	2.2
259.54926	0.9
266.01126	2.6
267.04660	4.6
269.02536	1.1
284.02206	0.9
285.05780	22.4
286.06143	1.0
287.03711	50.1
288.03931	2.1
289.05231	3.8
292.02701	1.2
294.00574	1.5
295.04172	2.9
299.03662	1.1
311.98010	1.2
312.01697	32.5
313.05267	46.6
314.05389	1.3
330.07977	3.1
341.04630	5.1
358.07590	1.6
396.08936	3.4
398.06760	2.5
416.07977	54.3
417.08212	1.6
424.08563	2.1
433.10645	26.5
449.51556	1.0
487.11676	25.2
488.12268	0.9
562.14502	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83918	0.5
62.09244	0.5
70.06587	1.2
75.34678	0.5
91.05490	2.1
93.68619	0.5
101.02363	0.7
103.05466	11.5
103.06112	0.9
105.04485	0.6
123.46294	0.4
129.06995	1.1
130.79211	0.5
131.04922	31.2
132.05243	0.9
141.07034	1.3
145.06390	0.6
160.03923	2.4
166.01353	0.6
168.02959	1.6
169.01338	1.1
173.16986	0.5
178.01384	0.7
179.03394	0.9
181.60551	0.6
184.74768	0.5
188.03438	10.8
188.05026	0.9
192.02834	1.0
199.31923	0.5
202.04991	0.9
203.02151	1.3
204.02885	2.5
204.16417	0.5
205.08638	1.1
206.04593	1.1
212.03476	1.5
213.05492	1.5
216.02907	24.3
218.16196	0.5
230.04491	0.8
231.06438	0.9
232.02452	1.0
234.04028	4.1
240.02864	3.2
244.02402	35.7
252.02917	1.5
255.06519	0.5
257.05609	0.7
263.07028	3.4
266.00897	1.7
272.09042	0.6
282.03720	0.6
284.01935	2.3
286.03558	1.2
288.01407	5.7
292.09540	0.7
298.03574	0.6
302.03012	1.2
304.06024	0.7
306.07504	0.7
308.01865	2.3
312.01422	2.6
326.02902	2.5
328.04498	1.4
344.04260	0.7
354.02426	26.5
355.02811	0.8
358.09058	1.0
372.03522	1.1
412.08115	2.9
430.09225	1.7
440.08020	0.8
442.05508	1.9
458.08755	21.0
458.14813	0.9
459.08777	0.9
503.01196	0.7
526.15350	0.8
534.15698	1.9
544.14429	1.5
562.14966	100.0
563.15204	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	562.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57468	1.4
53.08494	1.4
55.38208	1.3
58.62996	1.2
69.16991	8.3
77.03951	1.4
78.46331	1.5
87.00822	1.5
95.82908	1.5
101.02386	2.5
103.05459	19.9
115.05463	1.9
119.03456	3.0
131.04921	100.0
132.05292	2.4
140.03508	1.6
145.06479	2.1
155.05008	2.4
168.02924	12.3
178.01430	1.9
178.99579	5.9
194.00932	2.6
205.08591	14.8
208.02478	2.6
216.02936	2.4
249.05661	2.9
249.98003	1.5
252.06570	1.8
265.04721	14.7
272.09305	6.5
276.05231	3.8
280.06250	2.3
281.08047	2.2
285.26089	1.6
294.07687	10.1
298.07172	3.0
300.69418	1.5
304.06363	1.5
312.08875	1.9
320.05725	3.0
320.08929	8.0
322.07300	5.5
340.08276	4.6
340.15045	1.7
354.09729	8.4
358.09369	5.9
424.11771	1.8
426.13724	1.7
440.08176	2.3
458.03137	1.8
458.08786	7.3
458.16208	16.4
512.13776	3.5
526.14813	11.0
544.15594	10.4
562.14941	57.6
562.28741	2.8
563.15344	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	562.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01859	0.8
57.03429	0.5
60.70019	0.3
61.02928	0.3
65.03935	0.3
68.99772	0.5
69.03426	3.1
73.02918	0.5
81.03410	2.9
85.02905	8.1
87.00831	3.6
91.05470	5.2
97.02889	3.5
98.23523	0.4
99.04452	1.0
105.01855	5.6
105.03371	0.3
109.02867	2.6
115.04790	0.3
115.05450	13.8
117.07014	100.0
118.07322	1.4
127.03916	5.1
129.01857	0.3
129.39375	0.2
131.04959	0.3
137.05934	0.2
142.99080	0.3
145.04967	2.3
145.06036	0.4
151.03934	0.7
159.02888	1.1
159.08005	0.3
193.46039	0.3
231.04935	1.6
239.03487	0.3
249.06052	0.3
279.06500	1.0
280.06680	1.4
292.06924	0.7
305.07968	0.5
306.08481	0.6
307.09641	0.3
309.07755	0.4
310.07877	1.1
314.08936	0.3
334.07828	0.6
335.09155	0.3
336.09531	0.5
345.07565	0.3
363.08524	0.7
364.08847	0.9
376.08911	1.0
388.08896	0.3
393.09894	0.3
394.10040	0.9
405.09341	0.4
412.10898	0.8
424.11182	0.4
442.11957	1.3
466.06158	0.3
466.12186	1.2
484.13226	0.4
490.11691	0.4
496.12964	0.8
505.36404	0.3
508.13113	0.6
526.14185	0.9
537.84821	0.3
544.15546	0.4
562.16827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.05506	5.3
56.05040	1.6
58.99578	6.0
67.05505	13.6
69.03419	2.2
69.07063	8.7
69.18587	8.4
71.04978	2.6
74.00608	1.5
79.05488	11.0
80.05003	3.2
81.03425	1.8
81.07053	21.3
83.04974	3.6
83.08649	2.5
86.00648	28.3
87.04453	1.8
88.02220	14.9
88.03994	18.0
91.05468	10.3
93.07044	12.7
95.04979	3.2
95.08602	19.6
97.01095	1.6
97.02859	1.8
97.06507	4.8
98.23513	3.0
99.08118	2.0
99.44670	1.5
104.99126	1.6
105.07014	15.7
107.08593	16.7
109.10165	10.3
115.05450	1.6
115.07587	3.7
117.07026	6.6
118.92981	1.5
119.08593	18.8
121.10157	10.7
122.02726	2.5
123.11709	2.0
124.03960	3.0
129.07002	6.0
131.08572	19.8
132.01146	65.8
132.08090	1.5
133.10120	14.2
134.02713	5.8
135.02557	1.5
135.08076	1.6
135.11655	3.7
138.05479	1.9
142.07814	3.0
143.08566	10.2
144.09370	3.0
145.10124	19.0
147.10431	5.6
147.11690	12.5
149.04185	2.5
149.13245	3.3
151.05826	1.9
152.00584	1.5
155.08521	2.3
156.09363	5.6
157.10121	13.7
158.02705	3.0
158.10803	1.9
159.11696	14.3
160.04337	2.0
161.13235	5.7
163.14819	1.9
169.10101	5.3
170.10924	3.7
171.11681	27.8
173.13284	10.2
175.14838	2.5
182.10876	2.1
183.11674	5.0
184.04268	5.8
185.13264	17.5
186.14072	7.9
187.14835	11.5
197.13242	6.4
199.14830	10.2
201.16385	2.1
202.15932	2.9
205.15900	1.8
211.14850	5.5
213.16374	2.9
215.17923	2.4
225.16261	3.0
231.12003	1.7
239.18013	1.7
241.19514	2.8
267.21048	5.6
275.23755	2.5
285.22153	11.1
296.43097	1.8
303.23184	100.0
304.23425	3.9
317.19186	2.1
319.21381	2.2
319.25119	2.5
335.20398	2.4
406.24069	5.5
424.25134	82.5
425.25290	6.1
442.26160	2.7
484.27310	33.8
485.27466	2.1
502.28381	11.6
544.29279	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.3
57.27023	0.3
59.42520	0.3
69.03426	0.6
69.35146	1.3
73.06553	0.6
83.05003	0.3
87.04466	100.0
88.04797	1.1
89.06031	18.9
107.07081	0.5
111.98963	0.4
117.09150	0.3
124.04065	0.4
125.56268	0.3
131.07039	2.1
133.08606	12.2
140.03384	1.9
147.04387	0.5
151.03975	0.5
175.09688	0.8
177.11229	4.5
219.12289	3.3
221.13879	0.5
221.41219	0.4
258.86850	0.3
267.56686	0.4
285.40024	0.3
545.31635	0.8
562.39264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25947	2.4
55.01873	4.9
55.05507	17.8
57.03431	17.1
60.90791	2.3
67.05502	24.5
69.03429	5.9
69.07073	7.7
69.13829	16.8
71.04956	3.5
73.02922	3.4
73.06546	2.7
73.44237	2.5
79.05490	25.8
81.03412	99.1
81.03905	5.6
81.07056	29.5
83.04968	13.9
83.08624	20.5
85.02901	16.3
87.04448	4.3
88.80605	2.4
89.06015	10.4
91.05474	33.4
93.07030	19.3
95.04972	33.3
95.08610	11.3
97.06529	6.0
97.10172	4.5
103.05424	3.3
105.03259	2.4
105.07020	47.7
107.04956	11.3
107.08596	9.9
109.06509	7.0
109.10172	5.0
111.04437	5.4
111.08077	7.2
117.06985	5.5
119.08615	15.0
121.04574	3.1
121.06501	4.0
121.10117	11.1
123.08067	3.3
124.03959	21.0
125.09633	4.8
127.01562	9.7
129.06990	14.0
131.08528	14.8
133.06480	7.1
133.08580	2.9
133.10135	11.4
136.06197	3.1
139.03908	4.7
145.06433	2.7
145.10132	3.1
147.08011	6.7
147.11656	14.2
149.09605	7.3
153.03099	8.2
157.10138	13.1
175.11200	11.2
193.12213	37.4
197.05760	3.8
201.82179	2.7
211.13252	19.8
223.01151	2.8
267.15891	100.0
273.14670	3.8
285.16937	26.3
291.19565	8.2
365.04523	2.5
365.23141	10.5
367.22684	9.0
385.23627	12.0
433.25787	8.8
441.26321	6.5
459.27328	49.5
477.28424	48.0
562.20898	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	563.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
64.41328	0.5
69.03422	2.0
70.06592	3.3
73.02911	0.8
79.16266	0.6
81.03420	1.4
84.08140	0.7
85.02890	1.7
87.00848	1.0
97.02892	1.3
103.05444	1.4
108.02090	0.7
109.02892	0.9
118.04153	1.0
127.03944	1.3
131.04924	2.9
136.01535	1.5
151.03825	0.6
152.01099	1.0
153.01851	0.9
154.02620	1.1
169.07559	0.6
181.01326	0.8
188.97939	9.3
197.04446	2.0
206.99023	2.5
226.06155	0.8
253.04927	1.5
254.05745	9.5
270.05179	1.2
271.05997	8.7
281.04413	1.2
282.05228	8.7
283.05869	2.0
285.03784	0.8
286.04663	0.6
292.05975	0.9
293.04169	51.8
294.04605	2.4
299.05450	7.5
300.02847	0.9
300.06268	16.4
315.08609	100.0
316.09015	3.6
318.14029	0.5
459.08423	0.7
477.13998	0.9
545.12836	0.9
553.73694	0.6
563.14185	2.2
563.23199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97104	0.4
58.12927	0.4
69.87894	0.7
69.88271	0.7
91.39785	0.4
131.04903	0.5
136.10670	0.4
188.97940	21.6
206.98996	4.6
261.65619	0.4
293.04169	100.0
294.04501	2.4
311.05341	0.7
315.08582	2.2
319.32745	0.4
545.96112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97856	0.5
60.72496	0.5
67.67328	0.4
69.12889	2.7
69.13289	1.2
79.82916	0.5
86.19695	0.6
98.22686	0.8
103.05476	1.5
105.44009	0.4
131.04924	3.2
135.07338	0.5
138.51326	0.5
169.01323	0.7
188.97958	16.4
206.98994	4.3
263.03253	0.7
271.05951	1.2
282.05292	0.7
291.02560	2.8
292.02948	3.6
293.04187	100.0
294.04636	4.5
295.04822	1.1
299.05560	0.8
300.06235	1.0
315.08603	10.8
329.05042	3.7
425.12616	0.7
425.27246	0.5
507.08975	0.7
525.09308	0.6
563.08099	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45162	0.5
55.22760	0.6
58.37724	0.6
66.14095	0.5
67.50045	0.5
69.03426	1.1
69.63805	2.0
75.21558	0.6
81.03413	1.8
85.02914	2.3
87.00849	1.2
87.98501	0.6
103.05466	0.7
107.82382	0.6
118.04144	1.4
119.04910	0.8
121.02853	0.8
127.03935	0.9
131.04962	1.0
136.01518	0.9
145.05009	0.7
146.81375	0.6
152.01033	1.4
159.02885	0.6
163.43300	0.6
169.01332	1.7
181.04889	0.8
182.02061	0.6
188.97943	12.3
197.04422	2.0
198.01503	0.8
206.99019	2.4
226.06221	0.7
253.04929	2.1
254.05539	4.0
255.06491	0.6
271.05984	8.9
282.05182	6.9
283.06018	2.1
285.03964	0.8
291.19321	0.7
292.05746	2.5
293.04135	63.8
294.04495	3.7
299.05515	10.5
300.06268	13.1
315.08609	100.0
316.09000	3.2
483.08826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43175	0.9
56.96568	12.3
69.99378	1.9
69.99715	1.2
70.06597	1.0
72.66563	0.8
81.03403	1.1
84.96031	37.9
85.31512	0.9
98.22709	1.3
98.97583	32.5
102.97064	4.8
110.97578	1.5
112.99137	2.8
116.98611	14.6
116.99382	1.2
119.80281	0.8
124.99142	3.3
128.98621	2.5
129.72897	0.9
131.00198	3.1
134.99684	4.3
143.00159	11.8
144.98087	3.0
146.99667	1.8
147.49933	1.0
149.01259	2.2
151.03914	1.4
158.99657	8.0
161.01196	11.2
162.99173	5.0
163.00398	1.0
165.99388	1.6
170.99718	1.9
173.01169	1.4
177.00734	5.6
179.02263	1.9
184.00438	2.0
185.01277	2.6
189.00737	2.9
191.02127	1.3
195.03345	1.8
201.00769	1.4
203.02336	3.2
205.98866	5.6
206.99760	1.8
209.01265	1.8
209.03160	1.2
211.99879	4.9
213.04263	1.8
219.01790	3.0
221.01331	3.4
223.99873	11.5
225.00722	3.4
227.02257	10.9
227.04321	1.2
230.00966	1.8
234.99257	2.5
236.14886	1.5
237.02782	2.2
239.02263	17.8
239.04523	1.4
242.01001	4.1
243.01758	15.3
245.03316	5.5
246.00560	1.2
249.00584	5.0
251.99374	1.4
253.00195	2.7
257.03323	65.8
258.03629	1.1
261.02802	12.9
267.01712	22.8
270.00131	1.1
275.04382	14.7
279.04089	1.4
281.03290	31.9
285.02808	15.6
287.04443	1.0
293.03165	1.6
295.04861	0.9
299.04358	32.1
303.03851	2.0
307.04919	3.5
309.02798	9.5
311.04443	3.6
313.05780	1.0
317.05301	1.4
321.02679	1.6
325.06003	3.8
327.03848	18.1
335.04340	5.2
339.03864	8.4
341.05484	3.6
345.04205	1.0
353.05267	5.4
357.04944	1.7
369.05066	4.3
387.06018	1.2
411.05988	2.3
413.07370	3.3
429.06805	5.0
431.08521	6.2
455.08261	1.2
503.10696	100.0
504.11078	3.5
521.11774	13.4
563.12750	1.6
563.20447	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.01876	0.2
57.03443	0.2
61.02930	0.1
68.99812	0.2
69.03428	1.2
70.68455	0.1
71.04978	0.1
73.02929	0.3
81.03413	0.9
85.02901	1.2
87.00823	0.5
91.05507	0.4
97.02914	0.6
99.04441	0.2
103.01254	0.1
103.05481	0.1
105.01867	0.1
105.07027	0.2
108.02174	0.1
109.02905	1.0
118.04160	1.4
119.04950	0.5
120.05733	0.1
121.02882	0.6
124.01595	0.2
127.03913	1.5
131.04926	0.2
132.21516	0.1
136.01561	1.0
137.05957	0.2
139.00290	0.2
145.04967	0.4
151.00278	0.3
151.03947	0.2
152.01035	0.9
153.01814	0.9
154.02623	1.2
157.94330	0.1
159.02936	0.3
164.01108	0.2
165.01817	0.2
166.99773	0.2
169.01379	0.1
169.35114	0.1
170.02132	0.4
170.07376	0.1
175.51878	0.1
180.00737	0.1
181.01294	0.7
182.02110	1.1
185.00925	0.1
197.04431	2.3
197.05942	0.2
198.01587	0.8
200.03365	0.1
207.06581	0.1
208.05183	0.1
225.05389	0.2
226.06258	0.5
231.05000	0.1
236.04659	0.3
237.05415	0.2
240.04073	0.1
242.05812	0.2
253.04953	1.7
254.05739	4.5
255.06422	0.2
257.04529	0.4
264.04199	0.2
265.05115	0.2
269.04474	1.0
270.05182	0.7
271.06009	11.8
272.06458	0.2
281.04459	1.1
282.05219	5.5
283.05988	2.6
284.06696	0.3
285.03998	0.5
286.04755	0.7
293.04361	0.4
297.03989	0.2
299.05493	11.0
300.06277	15.0
301.06577	0.4
315.08609	100.0
316.08994	2.8
325.07169	0.7
329.05167	0.2
357.09778	0.2
477.13925	2.9
519.14630	0.1
545.12878	0.5
563.14209	2.0
564.14484	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78375	0.1
52.88065	0.1
53.03959	0.2
53.41825	0.1
55.01904	0.1
57.03447	0.1
69.03428	1.6
69.03735	0.1
71.05012	0.3
81.03409	1.1
85.02898	1.7
87.00832	1.3
87.04475	0.2
91.05476	0.8
95.08662	0.1
96.02150	0.1
97.02888	3.2
97.03470	0.2
99.04457	0.6
101.02449	0.1
105.01878	0.3
107.04990	0.1
108.02119	0.5
109.02911	0.3
118.04149	1.7
118.04837	0.1
119.01459	0.1
119.04961	0.5
120.05701	0.1
121.02862	0.7
124.01609	0.3
124.83527	0.1
127.03922	1.6
127.04762	0.2
131.04985	0.1
136.01561	1.1
139.00267	0.2
145.04990	0.4
147.04437	0.2
151.00322	0.2
151.03949	0.2
152.01021	1.0
153.01811	1.2
154.02596	1.0
154.03577	0.1
164.01079	0.2
165.01872	0.3
166.99742	0.2
168.00720	0.1
169.01303	1.2
169.06461	0.1
169.41823	0.1
170.02078	0.5
181.01297	0.7
182.02098	1.0
185.00888	0.1
188.97966	1.1
197.04445	1.9
197.05989	0.1
198.01582	0.7
198.06735	0.2
200.03035	0.1
206.99011	0.4
209.06592	0.1
223.52380	0.1
225.05495	0.2
226.06186	0.6
231.05089	0.3
236.04756	0.3
242.05771	0.3
252.04250	0.2
253.04977	1.9
254.05736	4.4
255.06367	0.2
257.04471	0.4
259.85852	0.1
265.04749	0.1
269.04379	1.1
270.05240	0.6
271.05994	11.9
272.06351	0.4
281.04410	0.9
282.05206	5.5
283.06009	2.7
284.06595	0.2
285.04004	0.6
286.04736	0.8
293.04187	6.2
294.04642	0.2
297.04007	0.2
299.05481	11.2
300.06265	16.9
301.06516	0.6
315.08591	100.0
316.08942	3.6
363.06259	0.1
530.96069	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39281	0.1
53.03921	0.3
55.01862	0.2
57.03424	0.2
59.15482	0.1
60.30615	0.1
61.02905	0.1
63.95087	0.1
68.99776	0.1
69.03439	1.0
73.02889	0.2
74.13194	0.1
81.03417	1.0
85.02901	1.1
87.00822	0.4
91.05474	0.4
96.02084	0.1
97.02897	0.6
98.23508	0.2
99.04422	0.3
105.01842	0.2
107.04933	0.1
108.02071	0.3
109.02858	0.8
115.03936	0.1
118.04151	1.7
119.04922	0.3
119.32366	0.1
120.05719	0.1
121.02849	0.6
124.01535	0.2
127.03912	1.2
131.04916	0.1
136.01556	1.1
138.59068	0.1
139.00243	0.2
143.41913	0.1
145.04898	0.3
151.00293	0.1
151.03845	0.1
152.01041	1.2
153.01810	0.9
154.02600	0.9
159.02916	0.2
164.00937	0.1
165.01868	0.2
166.99706	0.1
169.01326	1.0
169.06479	0.1
170.02028	0.2
180.00565	0.2
181.01299	0.7
182.02110	1.0
188.97935	0.3
197.04433	2.3
197.05968	0.2
198.01555	0.6
198.06674	0.2
200.03162	0.1
207.03040	0.1
213.03899	0.1
225.05530	0.2
226.06227	0.4
231.05017	0.1
236.04695	0.2
237.05363	0.1
242.05814	0.2
252.04166	0.2
253.04977	1.6
254.05722	4.7
255.06386	0.4
257.04379	0.4
264.04022	0.1
265.04904	0.2
269.04459	0.8
270.05148	0.7
271.05991	12.0
272.06470	0.3
281.04437	1.1
282.05212	5.5
283.05984	2.7
284.06601	0.2
285.03937	0.6
286.04663	0.6
293.04211	1.7
294.04605	0.1
297.03946	0.1
299.05487	10.8
300.06259	14.8
301.06659	0.5
315.08594	100.0
316.08929	2.7
325.07007	0.7
339.08575	0.1
357.09848	0.2
422.12238	0.1
464.01950	0.1
477.13818	2.7
478.13721	0.1
545.12463	0.4
563.13934	2.4
564.14215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01858	0.2
55.21733	0.2
56.82872	0.2
57.03434	0.2
67.05466	0.1
68.99796	0.2
69.03430	1.2
69.38329	0.7
71.04978	0.3
73.02898	0.2
78.13123	0.1
81.03409	1.4
81.07050	0.2
82.17093	0.1
85.02891	2.0
87.00825	0.7
91.03942	0.2
91.05479	0.5
95.08540	0.1
97.02878	0.7
99.04434	0.3
105.01845	0.3
108.02061	0.2
109.02889	0.7
117.01866	0.2
118.04156	1.1
119.04943	0.3
120.05698	0.2
121.02824	0.4
127.03904	1.4
131.04974	0.2
136.01549	0.9
145.04953	0.3
151.00279	0.3
151.03828	0.2
152.01059	0.9
153.01802	0.9
154.02623	0.8
159.02922	0.9
165.01732	0.2
170.02087	0.4
181.01324	0.5
182.02113	0.8
183.27713	0.1
197.04462	1.8
198.01566	0.9
216.15561	0.2
219.50023	0.1
225.05550	0.3
226.06245	0.3
237.05299	0.2
242.05600	0.3
253.04988	1.6
254.05739	3.7
255.06288	0.3
257.04337	0.4
260.47763	0.2
269.04443	0.6
270.05255	0.6
271.05984	9.9
272.06494	0.2
279.23154	0.2
281.04471	1.0
282.02179	0.3
282.05225	4.6
283.05984	2.5
285.03940	0.6
286.04623	0.5
299.05484	10.6
300.06268	14.7
301.06570	0.3
311.29422	0.2
313.98898	0.2
315.08591	100.0
316.08954	2.3
462.00766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.64601	0.1
55.01862	0.4
57.03433	0.2
61.02914	0.2
68.99798	0.3
69.03422	1.1
69.27502	0.8
71.01381	0.1
71.04972	0.1
73.02901	0.2
78.88789	0.1
81.03420	1.3
85.02905	2.1
87.00838	0.8
88.47091	0.2
91.05451	0.2
95.01328	0.3
97.02916	0.8
99.04468	0.4
104.89629	0.1
105.01860	0.4
109.02894	0.9
117.01812	0.3
118.04164	0.8
123.00804	0.3
125.78977	0.1
127.03904	1.2
131.04912	0.7
132.05681	0.3
133.06479	0.8
135.04417	0.3
140.01015	0.5
145.04909	0.4
147.04486	0.2
153.01819	0.3
154.02602	0.2
159.02908	0.4
168.00520	2.3
169.01321	52.9
170.01683	0.5
181.01308	0.2
183.02876	0.2
186.01628	1.2
188.97940	0.4
208.64371	0.2
231.05000	0.2
237.05383	0.2
253.04919	0.7
254.05815	0.6
265.05194	0.2
271.06033	1.2
281.04437	0.2
282.05206	1.7
283.05820	0.2
293.04156	2.1
299.05408	1.1
300.06277	13.4
301.06650	0.4
315.08606	100.0
316.08945	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	563.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.1
53.73257	0.1
55.01869	0.2
57.03434	0.2
61.02919	0.2
68.99772	0.2
69.03428	1.1
71.04987	0.2
73.02882	0.3
80.63999	0.1
81.03409	1.0
85.02904	1.3
87.00814	0.5
91.05460	0.3
97.02876	0.5
99.04451	0.3
105.01852	0.2
107.04953	0.1
108.02111	0.2
109.02863	1.0
117.01873	0.1
117.25627	0.1
118.04158	1.6
119.04927	0.5
121.02829	0.5
124.01549	0.2
127.03899	1.2
131.04909	0.1
136.01527	0.8
145.04933	0.3
151.00282	0.2
151.03841	0.2
152.01027	1.1
153.01826	0.8
154.02600	0.8
159.02913	0.4
164.00990	0.2
165.01819	0.2
166.99823	0.2
169.06497	0.1
170.02081	0.4
181.01262	0.7
182.02113	0.9
197.04416	2.5
197.06192	0.1
198.01669	0.6
200.03014	0.1
225.05423	0.2
226.06262	0.3
236.04680	0.3
242.05742	0.2
253.04929	1.7
254.05714	4.9
255.06303	0.3
257.04425	0.4
264.04163	0.2
265.04956	0.2
269.04385	1.0
270.05115	0.7
271.05984	11.3
272.06396	0.3
281.04419	1.0
282.05212	5.6
283.05991	2.6
284.06775	0.2
285.03955	0.5
286.04797	0.7
293.04562	0.3
299.05472	10.7
300.06259	14.4
301.06638	0.5
309.03760	0.1
310.04208	0.1
315.08582	100.0
316.08957	2.9
325.07190	0.6
329.04980	0.1
357.09558	0.2
377.10358	0.1
423.10583	0.2
477.13846	2.4
478.14719	0.2
545.12744	0.4
563.14001	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	563.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01870	0.2
55.05491	0.2
57.03402	0.2
61.02911	0.2
66.37508	0.1
67.05492	0.3
68.99812	0.3
69.03427	0.9
70.38998	0.2
73.02932	0.3
79.05479	0.4
81.03402	1.1
81.07043	0.4
83.08602	0.1
85.02907	1.1
85.15274	0.1
87.00820	0.5
87.04449	0.4
89.06015	0.6
91.05448	0.5
93.07044	0.3
95.04961	0.3
95.08603	0.5
97.02882	0.5
99.00803	0.4
99.04462	0.3
105.01846	0.2
105.07024	0.8
107.04936	0.2
107.08595	0.5
109.02864	0.6
109.10130	0.4
112.01571	0.6
117.06964	0.2
119.08573	0.3
121.02858	0.3
121.10135	0.2
124.03922	0.9
127.00282	0.3
127.03920	1.0
129.06950	0.2
131.08554	0.3
132.05690	0.4
133.06477	2.0
133.08588	0.2
133.10088	0.2
134.07259	0.2
135.04402	2.6
135.05356	0.2
135.11729	0.3
140.01028	0.9
140.03427	0.4
143.08539	0.3
145.04973	0.3
145.10091	0.3
147.11673	0.2
155.08568	0.5
159.02884	0.2
161.13176	0.2
168.00528	9.4
168.91139	0.1
169.10104	0.2
171.11707	0.2
174.06725	0.3
181.04790	0.1
183.02895	0.2
183.11679	0.2
185.32919	0.1
186.01587	7.1
195.11519	0.2
199.11400	0.1
201.05481	0.2
203.10646	0.2
205.12163	0.3
207.06653	0.2
217.12285	0.2
225.16473	0.2
229.05011	0.2
231.13805	0.2
248.06532	0.1
254.05629	0.2
257.04495	1.3
265.08905	0.1
269.08017	0.5
271.05875	0.2
272.06714	1.2
285.03931	0.9
287.05362	0.2
287.19910	0.3
299.05389	0.8
300.06259	72.6
301.06567	2.0
315.08588	100.0
316.08972	3.5
519.25232	0.3
562.39996	0.2
563.13391	0.3
563.23993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73715	0.6
61.01146	1.9
67.68182	0.6
68.99796	1.9
69.03419	2.0
72.04523	4.6
78.03790	2.6
81.03407	1.8
85.02891	2.1
85.06529	0.8
86.06052	2.0
87.00816	1.3
88.02209	3.1
97.02917	0.8
98.06046	1.0
99.05615	1.0
102.03750	4.3
107.04926	0.8
108.00333	0.6
109.02888	1.1
113.05965	0.6
114.03782	0.7
115.08685	2.4
127.03875	1.1
131.06387	2.4
132.04784	4.6
136.01537	1.1
137.05954	3.8
141.07004	1.7
142.08623	3.0
147.04384	1.4
149.07437	18.4
149.76701	0.6
151.03894	1.7
157.06485	0.8
157.10136	0.6
159.05930	1.9
168.05705	1.6
169.06444	2.2
178.04970	11.0
178.06406	1.0
179.03275	0.7
179.07048	1.0
183.04364	1.2
184.09738	1.1
186.06773	0.7
191.07712	0.6
196.05199	2.4
197.05949	11.1
207.02686	0.8
211.07497	0.8
213.05464	2.6
214.06223	6.0
215.06990	1.5
224.04646	1.1
225.05441	13.2
226.06207	1.6
228.04353	0.7
229.08527	1.2
232.06088	1.4
242.05708	12.7
243.06531	2.8
252.04085	0.9
253.04959	15.7
254.05734	4.5
255.06487	1.0
257.08060	3.8
261.12674	29.7
267.06583	0.8
270.05234	14.1
271.05969	16.9
272.06207	0.7
282.05225	1.4
283.06024	4.6
285.07556	79.3
286.04630	2.0
286.07956	2.3
299.05469	18.5
300.06238	16.2
314.10172	1.1
315.08603	100.0
316.08844	4.0
356.11142	4.9
433.14322	1.7
545.19232	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	563.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01855	1.1
57.03422	1.8
61.02919	2.1
69.03429	6.6
71.04977	0.7
72.89770	0.4
73.02917	0.8
78.04698	3.1
79.05484	6.0
79.97897	0.4
81.03415	3.1
81.07030	0.6
85.02398	0.9
85.02900	13.1
87.04458	0.6
91.03937	1.0
91.05475	3.0
93.07037	0.8
94.04159	0.5
95.04947	2.7
97.02890	6.4
99.04459	0.8
103.05454	0.9
105.04533	0.6
106.04160	1.9
107.04948	12.2
109.02865	2.3
115.05445	1.5
116.06260	0.5
117.07010	0.6
119.04858	0.8
121.06522	1.7
122.03635	0.6
123.04428	7.8
124.05196	3.6
125.05968	0.5
126.75189	0.4
127.03937	2.3
128.06209	4.8
129.06990	1.9
131.04887	1.0
131.08557	1.9
133.06516	1.0
134.03622	0.5
135.04437	0.8
137.05907	0.7
141.06998	2.8
142.07788	0.7
143.08556	2.6
144.05711	3.0
145.04964	1.5
145.06488	1.9
147.04437	0.6
149.06001	1.0
151.03917	2.1
152.04709	2.3
152.05942	0.4
153.05447	0.7
153.06966	0.9
155.05995	0.5
155.07050	2.4
156.05692	8.7
157.06485	2.7
158.07260	0.8
159.08037	4.7
161.05962	1.3
166.06209	0.8
167.07028	100.0
168.07365	1.6
169.06454	1.1
170.07248	4.5
171.08054	5.3
172.05182	0.8
173.05974	1.8
173.09682	0.5
174.06697	0.8
179.07043	3.2
181.04974	0.5
181.06361	0.7
181.07106	0.6
181.08618	7.3
184.05182	2.1
185.05911	0.9
186.06728	0.8
187.07510	7.3
188.08264	1.3
189.07007	0.5
190.06227	0.6
191.06998	0.7
191.08603	0.7
193.08603	1.8
198.06779	1.9
199.07516	7.2
199.09236	0.6
200.08194	0.8
201.05376	0.7
201.09053	0.7
202.06200	3.1
202.07816	0.8
203.06947	0.6
203.10646	2.3
204.07771	0.7
205.04721	0.8
205.06577	0.8
205.08536	4.7
207.06468	0.8
215.06960	3.1
215.08778	0.6
216.07794	2.6
217.08580	31.7
218.07193	0.8
218.09114	0.7
219.08037	2.1
219.10170	1.5
220.08859	1.2
221.06097	0.7
229.08623	2.0
229.22009	0.4
231.08171	1.4
231.10149	30.2
232.08788	0.9
233.05917	0.6
233.09581	1.6
234.06798	0.8
235.07408	1.0
236.08316	0.9
237.09029	0.6
239.06982	0.5
245.09679	0.8
246.06627	0.5
247.07458	2.8
247.09663	7.6
248.08270	3.4
249.05470	1.0
249.09053	1.3
250.09950	0.7
251.10719	0.6
253.08531	0.6
259.07504	1.0
260.08218	0.9
261.05515	0.4
261.08969	2.3
262.06296	0.8
262.09830	1.4
263.06989	1.2
263.10663	1.7
264.07748	2.2
265.08575	1.1
267.06461	0.4
269.08054	1.0
271.09705	1.3
275.07031	1.5
276.07797	1.8
277.08527	1.9
278.05948	0.6
278.09390	1.3
279.07050	0.6
279.10095	2.9
280.07388	0.5
282.08875	0.9
289.08624	1.2
290.09320	1.7
291.06976	0.6
291.10101	3.2
292.07288	1.1
293.08069	1.9
293.11401	0.7
294.08481	0.7
295.09558	0.5
296.10309	0.6
304.07257	0.8
305.08066	1.3
306.09055	0.7
307.09579	3.9
308.10330	1.6
309.11234	0.6
315.08630	1.1
318.08795	0.7
319.09818	2.0
321.07645	0.8
321.11160	2.2
322.08340	1.0
322.11893	0.7
323.09363	0.6
323.12726	2.0
325.10840	0.6
325.14291	1.0
330.10794	1.6
331.11838	2.2
336.09796	0.9
337.10794	2.4
338.07697	0.7
338.11475	0.7
339.12222	1.5
343.11710	0.8
351.12283	3.6
353.10239	2.2
353.13837	1.9
354.14432	0.5
356.12646	0.8
357.13287	1.0
363.03839	0.6
368.12784	2.5
368.16833	0.4
369.13281	0.8
370.14133	0.8
371.14792	1.6
383.14853	23.0
384.15277	0.8
385.16437	15.0
401.15988	5.8
462.33151	0.4
563.17328	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38387	0.4
67.01830	0.5
68.99792	4.4
69.50201	2.1
77.57708	0.4
91.87231	0.6
92.99746	0.7
105.03320	0.6
111.00792	6.1
119.87855	0.6
126.19357	0.5
131.04869	0.9
149.90636	0.5
178.99741	36.6
180.00058	0.7
197.00804	100.0
198.01231	0.9
241.05003	2.6
283.05991	77.9
284.06323	2.1
293.04181	0.9
294.04547	0.6
301.07028	0.9
316.08731	0.6
322.60300	0.5
383.79080	0.5
563.26764	0.9
564.11469	0.6
564.26849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01876	0.4
55.01840	0.4
67.01859	0.4
68.01369	0.4
68.99785	5.1
69.11692	1.8
69.68523	0.3
70.06573	0.4
79.05451	0.3
83.01313	0.6
86.02422	0.3
91.05468	0.6
92.99733	1.2
95.01311	0.6
103.05490	1.4
105.03336	0.3
111.00806	6.6
129.01862	0.3
131.04921	2.3
135.00743	0.5
148.00275	0.6
149.02048	0.2
150.01886	0.4
151.00273	0.3
154.01315	0.4
166.01343	0.3
178.01347	32.3
178.99741	33.8
180.00165	0.4
187.08337	0.2
197.00804	100.0
198.01115	0.9
200.66064	0.2
204.02930	0.6
208.02338	0.8
222.00298	1.2
240.01328	0.5
241.04903	3.0
241.15833	0.3
282.07602	15.0
283.05984	74.4
284.06262	1.7
293.03949	0.7
293.06854	0.5
294.07669	0.6
301.07010	0.7
326.06686	1.1
428.46692	0.3
460.06625	1.4
543.73608	0.3
564.12891	14.1
565.12622	0.7
586.43524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
55.01859	5.0
57.03433	6.2
61.02928	6.1
61.65293	1.3
62.06082	1.9
68.99780	3.7
69.03071	1.7
69.03425	31.7
69.34729	3.5
69.35133	3.0
71.01363	1.8
71.04987	4.4
73.02911	8.6
79.05486	1.6
81.03414	25.2
82.18278	1.3
83.01286	1.2
85.02901	100.0
86.03259	1.2
87.00831	45.6
87.04472	1.8
87.74382	1.2
91.59043	1.2
95.01315	11.1
97.02886	34.5
99.04442	14.9
101.02372	1.6
103.03936	1.5
105.01860	71.9
105.07011	14.1
109.02870	32.6
113.02328	1.7
117.01807	2.3
125.02400	1.6
127.03907	93.0
129.01842	3.9
141.01826	20.2
145.04945	33.0
147.02917	1.7
156.23296	1.2
159.02876	21.4
177.03845	1.5
183.03023	1.4
189.03932	5.2
213.03951	7.6
213.09058	6.0
231.04990	44.8
231.10088	3.1
246.54587	1.3
249.06030	16.9
273.06033	1.6
335.11176	3.8
340.64725	1.3
389.29974	1.4
422.40829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
51.04169	0.6
53.03937	2.8
55.01867	3.7
57.03424	1.8
61.02938	3.1
68.99789	1.3
69.03424	13.6
69.34373	0.6
70.03277	0.5
70.69411	0.9
71.04981	1.5
73.02907	2.4
73.10271	0.6
78.03460	1.2
81.03418	9.7
85.02901	35.0
86.03267	0.8
87.00834	7.4
95.04953	0.9
96.04488	100.0
97.02885	11.3
99.04441	3.6
105.01859	8.8
109.02876	12.2
117.01826	0.9
127.03911	19.6
129.01830	1.7
136.07588	3.0
145.04961	7.4
147.02916	1.9
151.03954	0.8
154.08617	46.0
159.02882	3.6
167.07077	1.7
187.68248	0.6
189.03853	0.7
205.04823	0.7
213.03972	1.3
231.04985	5.6
249.06116	0.8
261.93622	0.6
382.12799	0.8
402.13950	11.2
523.24823	0.6
564.19409	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01875	2.4
57.03434	2.2
59.04967	0.4
59.38926	0.4
61.02927	1.7
68.99786	0.9
69.03063	0.8
69.03427	9.7
70.69154	0.7
71.04985	1.3
73.02914	1.7
78.03456	0.9
80.16549	0.3
81.03414	9.3
83.01370	0.4
85.02904	28.1
85.44424	0.3
87.00831	8.5
87.04461	0.5
96.04488	100.0
97.02888	8.7
97.04838	1.2
99.04458	4.2
105.01863	9.6
109.02872	9.6
117.01854	1.0
127.03911	18.1
129.01852	1.5
136.06102	0.4
136.07571	0.8
144.80186	0.4
145.04950	9.2
147.02892	0.9
150.04826	0.4
152.61391	0.3
154.08620	59.1
155.08910	1.2
159.02856	4.8
177.03918	0.4
189.03975	0.6
213.03969	1.0
231.04993	4.6
249.06119	0.9
316.13879	1.5
331.18326	0.3
387.07828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
57.07073	4.6
61.02915	0.7
65.03942	0.8
69.03423	1.7
70.55598	0.5
71.04986	0.4
73.02927	0.4
81.03397	0.7
85.02404	0.6
85.02901	8.4
91.03947	0.6
95.01677	0.3
97.02855	1.9
109.02892	0.9
121.02872	2.1
121.03999	0.4
127.03935	1.7
145.04936	2.6
149.02335	100.0
150.02649	1.9
163.06020	1.2
167.03401	7.0
205.08598	1.3
223.09644	14.3
234.61664	0.4
279.56213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	0.6
69.26960	1.3
69.27393	1.3
70.90101	0.3
73.02908	0.6
73.06554	1.5
76.33654	0.3
87.04465	10.7
89.06026	100.0
90.06371	0.6
91.07610	0.6
97.02893	0.6
107.07054	1.6
117.09127	1.1
119.04900	0.9
126.85307	0.5
131.07030	3.0
133.08597	57.8
134.08968	0.9
134.87270	0.4
168.02940	0.8
175.09673	2.0
177.11209	20.5
203.07262	0.5
219.12215	0.7
221.13844	3.2
239.14877	0.7
239.65753	0.4
242.98125	1.0
265.16449	0.8
270.90759	0.4
271.05807	0.5
283.17526	1.3
309.19067	0.7
327.19943	0.7
353.21851	0.7
364.04327	0.9
371.23022	0.5
381.04895	0.4
459.27713	0.7
503.30075	0.6
547.33313	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	564.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
57.03435	0.6
58.70862	0.4
59.04999	5.4
63.98040	0.3
67.05495	1.8
69.03426	5.1
70.06578	0.6
71.04972	1.2
73.02539	0.6
73.02914	7.6
73.06551	4.3
83.04990	0.7
84.08149	0.4
85.02895	1.1
86.06047	0.5
86.09686	0.6
87.04461	100.0
88.04802	2.8
89.06023	32.4
90.06351	0.6
92.78554	0.3
95.04955	4.0
97.02882	0.5
97.06523	1.2
99.04432	0.9
101.06004	0.9
103.07572	0.5
107.07080	0.6
109.02820	0.3
111.04443	0.4
113.05999	21.0
115.07563	0.6
115.74423	0.3
116.95338	0.4
117.09126	3.1
119.08569	0.5
129.05502	0.5
131.07027	10.6
133.08595	18.2
139.07532	1.1
157.08600	4.8
161.11740	0.7
175.09647	5.3
177.11209	4.8
201.11192	2.7
210.14880	0.5
219.12305	3.6
221.13844	1.0
245.13824	1.2
251.37392	0.3
263.14893	0.5
283.17557	0.7
289.16376	0.7
293.93765	0.3
302.04196	1.7
309.18930	0.4
317.06442	2.6
353.21939	0.4
371.22684	0.4
383.10727	0.4
483.28094	1.0
500.30685	0.7
521.36615	0.6
564.16687	0.6
564.35339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55043	0.4
60.82368	0.4
68.99794	1.0
69.41759	2.3
70.57837	0.4
72.20458	0.4
83.97706	0.4
91.05476	2.9
94.02917	0.5
95.01327	3.9
95.04971	0.6
103.05459	8.6
105.07021	0.5
115.05447	4.5
122.02479	0.4
124.49221	0.4
131.04918	29.0
138.01845	0.5
138.94200	0.5
141.06956	0.5
142.06525	1.8
145.06514	0.5
155.04926	3.1
163.00253	0.5
165.06984	8.4
167.02133	2.5
168.02917	1.4
170.06049	2.4
172.03981	0.5
172.44972	0.4
174.01936	0.5
180.08160	0.6
181.01292	2.1
182.06088	0.6
184.07610	0.5
185.03256	0.6
188.03474	0.7
190.01358	0.9
193.06444	3.6
194.09651	0.8
196.07581	0.7
199.03937	1.1
200.03465	1.5
202.05061	0.4
204.08144	0.8
208.07590	0.7
212.07080	1.3
214.01266	0.7
216.02809	0.6
218.00821	8.2
220.02467	0.7
221.05992	4.0
222.09262	1.0
224.07054	0.6
228.02974	1.6
232.07570	0.8
236.04715	0.4
238.05023	1.6
241.04926	1.8
249.05461	3.3
250.08650	3.3
252.06546	0.9
256.02399	5.1
259.06161	0.8
262.08618	0.9
264.06601	1.0
270.00290	0.8
271.08429	0.7
272.09128	0.9
276.06522	1.1
277.04947	2.1
278.05042	0.8
278.08099	15.6
280.06027	9.2
284.01816	3.1
288.01410	0.9
290.08167	1.0
292.09790	0.5
293.04099	1.0
294.07745	0.6
298.07111	0.5
302.08359	0.4
304.06024	1.2
306.07648	3.9
312.01352	29.2
313.01627	0.9
316.00763	0.9
316.06079	2.7
318.07538	0.5
320.09171	2.1
322.07059	3.6
330.02505	3.8
330.07617	0.8
334.06970	0.9
340.00818	10.1
358.01953	2.3
358.06891	1.0
372.08923	1.2
374.06918	0.8
384.12271	6.4
388.08078	1.3
398.06537	1.1
416.07605	12.2
419.06216	0.4
426.06024	1.3
434.69043	0.4
437.06485	0.4
444.07123	22.0
445.07724	0.8
476.15204	1.9
520.14105	3.0
530.12329	1.4
548.13367	100.0
549.13770	5.8
565.11591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1882
Annotation	Kuwanol A
Peak:m/z	Relative Intensity
50.03316	0.5
62.06081	0.5
70.77099	0.6
72.40613	0.5
73.02911	1.2
73.06561	0.9
73.51131	0.5
79.05485	0.5
80.05466	0.6
81.07035	0.9
87.04462	12.4
88.04794	0.7
89.06030	3.4
90.97776	0.5
91.05476	0.8
97.02882	0.6
105.07035	6.0
106.07407	0.6
119.08504	0.7
121.02874	0.7
121.10254	0.5
124.03936	2.9
133.08603	1.8
149.02333	6.0
169.92941	0.5
177.11263	0.6
201.02168	0.6
237.82317	0.5
245.05373	0.7
245.07770	3.0
261.07401	0.6
266.52176	0.6
273.87189	0.5
275.11069	1.3
293.65887	0.6
317.13635	12.8
345.13135	4.9
359.14783	0.6
461.17816	1.6
479.12003	0.7
479.18887	14.4
521.19940	61.6
522.20337	3.1
565.19116	100.0
566.19672	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	565.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23288	0.5
55.05502	0.5
69.64090	1.1
69.64481	1.0
78.54978	0.5
82.04414	0.5
98.22656	0.8
107.23787	0.4
124.85628	0.4
125.26092	0.4
149.02301	2.5
245.07892	1.8
261.07376	0.6
275.11008	0.8
277.63550	0.5
280.03394	0.5
317.13593	10.2
339.57431	0.5
345.13065	2.8
399.03418	0.5
418.20538	0.7
447.18008	1.2
461.17661	0.8
479.18866	14.2
491.16794	2.4
503.18246	0.6
521.19928	44.8
522.20227	2.7
537.20618	0.6
565.19495	100.0
566.19568	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	565.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49646	0.5
50.49886	0.5
55.05521	0.5
69.15479	3.4
95.08605	0.6
98.22684	1.0
106.74136	0.5
119.08608	0.6
124.03947	0.6
149.02303	2.6
150.44020	0.6
159.11766	0.7
166.93936	0.5
168.73831	0.5
191.17917	0.6
196.80138	0.5
245.07857	2.4
257.07864	1.2
275.11026	2.3
299.12668	0.6
317.13605	13.1
317.21326	0.7
345.13046	4.2
359.14954	1.0
390.64136	0.6
434.61453	0.5
461.17953	1.5
479.18851	21.8
480.18951	0.7
483.28107	0.6
521.19904	59.7
522.20306	2.1
565.19012	100.0
566.19336	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	565.2051
Annotation	Kadsuphilol B
Peak:m/z	Relative Intensity
50.99639	0.3
55.01861	0.3
55.05505	0.3
59.04993	0.5
60.31412	0.2
67.05492	0.8
69.03416	0.3
71.28004	0.2
71.42348	0.3
73.02906	0.7
79.05492	0.8
81.03408	0.6
81.07039	0.9
84.27130	0.2
84.28600	0.2
85.02903	0.8
87.04459	3.7
87.04948	0.4
88.79636	0.2
89.06011	1.8
91.05462	0.4
93.07049	0.8
93.34658	0.2
95.04967	0.4
95.08602	0.8
97.02887	0.3
103.07590	0.4
105.01830	0.3
105.07028	2.0
105.66824	0.2
107.08580	0.3
109.02926	0.5
109.10135	0.3
112.11216	0.3
114.91157	0.2
115.66985	0.2
117.07029	0.3
119.08566	0.7
120.08939	0.2
121.10111	0.3
124.03939	3.3
127.01540	0.3
127.03903	0.9
129.13858	0.3
131.07047	0.3
131.08580	0.4
133.08604	1.1
133.10103	0.4
138.05469	0.3
143.08618	0.3
145.10158	0.3
149.02249	0.3
157.10088	0.2
159.11710	0.4
170.10847	0.2
171.11746	0.4
177.11275	0.4
251.03091	0.4
279.02591	0.8
280.03397	0.5
299.20047	0.3
343.10214	0.3
345.13098	0.3
365.05835	0.3
447.17712	2.8
463.17502	0.6
491.16632	2.7
493.21964	0.7
521.20959	3.1
537.21228	1.9
565.20300	100.0
566.20746	4.8
566.29211	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	565.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72160	1.6
53.03939	13.1
55.01873	10.5
55.05508	10.2
55.10389	2.0
57.03434	12.8
57.07051	1.6
61.02921	11.8
67.05502	24.4
68.99785	7.5
69.03424	77.9
69.07076	9.1
71.00072	1.6
71.01339	3.7
71.04970	9.6
71.90746	1.8
73.02917	15.8
75.69112	1.9
79.05495	11.5
81.03415	67.2
81.07039	15.0
83.01347	2.7
83.04986	5.4
83.08614	6.4
85.02899	94.3
87.00826	39.9
87.04461	30.8
91.05474	16.5
93.07045	17.2
95.04998	2.7
95.08601	58.5
95.09210	3.0
97.02888	37.6
99.04454	29.4
103.03917	4.1
105.01857	25.2
105.07028	21.0
107.08599	17.1
109.02872	61.3
109.10149	28.9
111.04424	4.1
115.03905	3.3
117.01837	4.6
117.07038	11.0
119.08567	38.4
121.06525	2.8
121.10145	11.2
123.11711	5.4
127.01559	3.0
127.03908	91.0
128.06219	2.6
129.01859	8.5
129.05492	4.7
129.07047	6.5
130.07906	2.4
131.08553	17.7
131.40411	2.0
133.06532	1.8
133.10118	32.9
135.08041	2.0
135.11690	5.4
137.09656	2.1
139.07535	2.2
141.06972	4.4
142.07777	5.7
143.08565	10.4
144.09340	4.1
145.04951	28.0
145.10124	34.7
145.11218	2.6
147.02902	6.7
147.11673	17.8
149.09619	2.7
149.13275	2.1
153.03087	2.6
155.08504	9.2
156.09367	9.1
157.10115	20.0
158.10892	4.0
159.02879	25.4
159.11670	35.0
160.12442	2.6
161.13226	13.0
165.07048	2.3
167.08626	2.7
169.10114	14.6
170.10983	4.7
171.11674	34.9
172.12486	3.5
173.09674	2.3
173.13254	23.6
175.14752	4.3
177.09103	2.9
181.10095	4.3
182.10883	2.7
183.11688	16.4
184.12524	4.3
185.09627	3.4
185.13251	11.3
186.14125	5.6
187.06007	5.8
187.11292	2.5
187.14786	29.0
189.03963	2.8
189.16367	12.8
191.10701	2.2
194.10918	2.2
195.11661	3.8
196.12482	2.8
197.09595	3.2
197.13261	11.4
199.11197	4.5
199.14850	10.1
201.12585	2.8
201.16356	38.5
202.17119	4.1
203.10553	2.0
211.11232	4.4
211.14758	9.7
213.03996	4.9
213.12698	3.7
213.16289	2.7
215.10786	3.0
217.12318	5.8
223.14734	3.8
225.12764	5.0
229.12274	6.7
231.04955	15.2
231.13730	2.1
239.14447	2.7
239.17995	4.7
243.13879	10.9
253.19444	11.4
255.21115	2.0
257.15390	3.0
262.59854	2.5
271.20551	7.4
281.19064	14.0
297.18546	2.4
299.20035	66.2
315.19507	4.0
317.21103	78.0
323.20145	3.9
341.21188	4.7
459.41943	2.1
479.26758	3.4
521.27686	9.5
547.25110	3.8
565.26379	100.0
566.26569	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	565.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09778	0.8
55.01854	0.8
55.05501	3.5
57.07042	0.9
67.05504	5.4
67.05795	1.5
68.99771	4.7
69.07066	6.2
69.45154	3.5
71.08606	1.7
79.05485	3.7
81.07040	3.9
83.04951	1.3
91.05428	2.1
93.07059	4.3
95.01316	1.0
95.04922	2.4
95.08565	3.3
103.05471	4.9
105.03356	2.9
105.07030	1.6
107.08524	1.8
109.10104	2.2
119.08541	0.8
121.10123	1.5
123.00771	6.3
133.10081	1.5
137.09528	1.1
139.00252	10.4
141.01723	0.9
144.30338	0.8
151.11136	2.2
157.01230	0.9
168.00525	1.9
169.01305	2.6
186.01591	1.8
202.61436	0.8
225.05435	2.6
227.20357	0.7
233.15569	0.8
241.04948	29.9
242.05493	1.4
253.04988	3.6
269.04428	47.5
270.05182	21.4
271.05991	100.0
272.06351	2.6
277.21579	4.1
282.28015	1.8
283.05969	1.6
293.04135	4.6
294.04810	0.8
295.22589	4.1
299.30469	0.8
310.31091	0.9
365.13354	0.8
407.14746	1.2
479.05847	1.0
544.39648	0.8
547.26813	10.1
565.11603	1.3
565.27942	30.4
566.27997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12624	1.6
56.05041	2.9
58.06628	2.0
58.99588	6.2
59.92690	1.7
61.01147	3.9
63.00029	6.5
68.05024	3.7
70.02962	4.1
70.06590	7.4
70.99570	3.9
72.08158	4.1
73.01120	2.1
73.02949	1.6
76.03996	3.5
78.99512	5.6
80.05000	4.7
82.06594	4.7
83.06094	4.5
84.04501	25.3
84.08138	17.5
85.04007	1.9
86.09715	4.2
86.99038	1.7
88.01756	2.3
88.02203	13.1
89.00613	3.9
93.01048	100.0
96.04482	8.9
98.00636	69.9
98.06051	6.6
99.01434	12.6
99.05576	6.8
100.02205	8.1
102.03807	1.6
107.06086	6.3
108.04488	5.1
109.07642	31.5
110.06062	4.2
110.07176	3.5
110.09682	4.6
111.02091	4.2
112.02220	8.8
112.11224	16.9
113.07074	2.1
113.11567	1.9
116.01679	17.0
119.04921	2.3
121.00550	2.4
121.02824	2.1
124.98288	2.6
127.01559	61.0
128.97722	2.7
129.10220	3.2
129.13875	11.7
130.03246	2.9
130.05005	5.0
134.96663	2.8
135.02058	33.0
135.05537	1.9
136.02278	2.3
136.03925	6.4
136.98250	4.0
137.03603	2.5
137.07106	2.4
140.01631	12.8
141.03078	4.8
142.03157	2.0
142.99269	55.8
143.96677	2.2
144.06538	4.0
145.06097	6.9
147.05536	2.6
150.03195	2.6
152.97697	15.0
153.06555	9.4
154.03259	3.2
154.99266	10.7
155.02759	2.4
155.08128	20.8
159.07634	3.4
161.97812	2.2
162.03232	1.8
163.03235	2.1
165.04858	2.7
166.99266	31.7
175.99294	18.6
176.04596	2.1
179.98772	2.7
181.06091	5.2
182.98766	27.9
186.99205	48.6
193.06113	7.1
194.00345	52.8
194.26230	1.7
195.00687	1.7
199.07126	6.9
202.98766	4.1
207.06523	4.9
207.99916	4.1
208.01906	65.0
209.00296	2.2
211.05453	4.9
211.07234	2.2
215.05743	2.6
219.01784	19.9
227.04956	2.0
236.01419	1.9
242.00693	1.8
251.02448	2.8
256.09351	2.3
257.07864	2.8
258.95868	13.2
260.97430	3.7
261.02975	7.8
261.06161	1.8
262.99081	5.5
265.04068	13.1
273.05356	2.1
276.96930	3.4
278.98581	16.4
290.98489	50.7
293.00089	51.1
293.03464	5.9
301.99905	2.2
311.04544	17.8
314.29089	1.9
320.01276	12.4
334.02689	48.2
334.06464	3.7
365.05563	10.4
368.01230	4.0
382.23853	1.9
387.01529	4.1
391.04770	8.0
400.03802	7.6
405.02783	4.5
419.04266	19.3
420.02737	12.7
423.03329	2.5
428.03314	3.0
437.05420	85.2
438.05493	2.1
491.06497	66.3
491.21341	2.4
492.06485	2.5
503.06467	22.2
548.08569	2.7
565.30164	6.0
566.09717	10.4
566.30475	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	566.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07114	0.5
68.99781	1.1
71.18951	0.5
71.19296	0.5
73.90292	0.6
91.05463	1.1
103.05460	5.5
105.03354	0.7
105.07050	0.8
125.57143	0.6
131.04919	20.0
146.02415	0.6
164.03476	0.9
165.01854	1.8
167.02130	0.6
168.02983	0.7
174.01962	1.0
178.01361	2.2
183.02803	0.9
185.03259	0.8
188.03496	0.8
190.99776	1.3
192.02942	1.6
202.01344	12.7
202.03082	1.0
204.03055	0.8
204.11131	0.5
209.00803	2.6
212.03511	0.7
214.01343	0.9
216.02916	9.0
218.00856	3.1
220.02501	1.7
224.01805	0.6
225.05504	1.0
228.02893	3.3
230.00879	2.0
238.63347	0.6
240.02905	1.4
242.00841	5.0
244.02417	2.8
248.01906	1.1
256.02518	2.2
260.01947	1.3
270.00327	3.1
271.08545	0.9
272.02039	0.7
282.27911	1.4
284.01852	6.6
286.03543	1.8
288.01303	3.4
289.76413	0.7
294.04556	0.6
295.05969	1.6
297.99640	0.7
301.39108	0.5
310.31009	1.5
312.01352	22.5
314.02945	4.3
330.02429	3.6
340.00864	36.1
341.01453	1.5
358.01886	9.8
374.06802	1.2
392.07382	0.7
402.06042	2.3
416.07565	1.7
444.07135	44.5
445.07455	2.4
446.70151	0.6
462.08188	9.7
506.12808	0.7
548.13391	100.0
549.13757	5.7
566.06116	1.4
566.14331	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	566.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.1
68.99815	0.5
69.90102	1.0
69.90464	1.0
71.05000	0.6
81.07053	1.2
84.44987	0.4
89.06022	0.5
91.05486	0.7
91.36465	0.5
94.13510	0.4
95.04994	0.9
97.02934	0.6
103.05476	1.2
105.03373	1.2
105.07019	3.3
119.08582	4.0
124.01483	0.5
131.04932	2.8
131.08583	0.6
141.05499	0.9
143.08522	0.5
155.07060	1.7
157.10181	1.1
168.00626	0.7
169.03806	0.5
171.11719	0.9
173.13225	1.1
178.01352	4.7
179.03404	1.1
183.11679	0.7
185.13206	0.6
190.01427	0.5
197.06044	2.0
197.13315	1.9
198.06743	1.9
200.01723	1.0
204.02872	2.9
208.02495	0.9
209.02934	0.6
211.14738	1.0
213.00375	0.6
220.12509	0.8
225.16469	0.5
226.06207	1.0
235.14888	2.2
253.15781	0.6
254.05702	3.3
254.08049	0.7
255.06580	1.0
255.09032	1.5
269.04376	0.9
270.05212	11.8
270.07983	0.6
271.05966	5.5
271.16986	1.0
280.06067	2.1
281.04242	0.6
281.06897	3.1
282.05179	14.3
283.03055	0.6
283.05951	3.4
285.07562	11.2
294.04877	1.4
295.16937	1.2
296.02762	1.1
296.05829	2.4
297.03970	14.2
297.07614	12.3
298.07443	0.9
309.06363	1.7
313.18005	5.6
315.05045	1.9
324.08823	1.5
331.19125	0.7
371.25562	0.6
419.06326	16.8
420.07254	2.3
434.04980	1.8
438.07898	1.3
447.05914	1.6
460.06384	2.6
462.08133	4.9
474.08160	3.4
506.84894	0.6
522.11462	0.6
548.13062	0.8
550.11188	2.1
551.12067	8.3
552.12891	0.6
566.14417	100.0
567.14789	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	566.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01864	6.6
57.03437	6.8
60.04739	1.0
61.02921	5.9
68.99776	3.2
69.03065	2.0
69.03426	36.8
69.03805	1.9
69.16186	1.9
69.16589	6.1
71.01359	1.3
71.04987	4.7
73.02906	7.0
80.97218	1.0
81.03413	27.8
85.02901	100.0
87.00825	47.1
91.03951	1.4
93.35274	0.9
97.02889	44.6
99.04446	15.1
103.03954	1.1
105.01864	80.6
106.02252	1.2
109.02872	36.3
111.04501	1.5
114.38927	1.1
117.01851	3.5
121.02857	2.5
121.06493	3.6
123.02905	1.3
124.11092	1.1
127.03906	90.4
129.01842	2.9
131.97176	1.0
145.04945	40.2
147.02879	2.5
151.03917	2.5
159.02882	12.9
171.02934	1.4
177.05469	2.5
187.07335	1.1
189.03941	2.9
213.03912	9.3
231.04973	34.6
249.06007	15.8
253.07018	3.5
271.08145	2.9
375.08606	1.2
426.11377	1.0
532.43689	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.208
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	3.2
69.52138	6.2
70.06576	4.6
72.08144	2.0
81.03397	4.6
84.08138	8.6
85.02893	6.4
87.00817	2.2
91.05480	15.1
97.02857	4.0
98.22739	1.5
105.01858	3.7
109.02875	3.3
111.72064	1.4
116.16005	1.4
118.26337	1.4
119.04941	23.7
127.03886	5.2
127.12260	1.9
130.08556	1.5
147.04402	23.5
157.03938	3.1
175.03909	44.4
177.05455	2.6
179.07016	2.0
207.06508	100.0
208.06900	2.2
351.10556	3.5
369.11908	8.8
566.18567	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	566.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01868	6.1
57.03424	5.1
61.02922	5.9
63.07506	1.2
68.99761	2.9
69.03421	33.0
70.06590	2.6
71.05010	3.1
73.02911	5.0
81.03410	19.7
84.04519	1.5
84.08128	2.4
85.02898	100.0
87.00820	35.5
91.03960	1.9
91.05477	1.9
93.07047	2.6
97.02882	29.7
98.06006	2.1
99.04452	12.0
101.02419	1.4
103.03915	10.2
103.05475	1.8
104.05311	1.8
105.01859	55.8
109.02863	25.8
110.03168	1.3
110.07199	2.2
115.03991	1.5
117.01834	2.1
117.07005	2.0
120.08080	1.5
121.06495	37.3
122.06778	1.3
124.03991	1.2
127.03902	68.2
129.01851	3.6
145.04955	23.8
145.06403	7.1
147.02837	1.5
155.08527	1.3
157.06508	2.0
159.02888	10.0
159.08067	2.8
163.07486	8.4
171.02846	3.0
173.06021	4.7
174.45850	1.2
183.08005	2.8
187.07539	11.4
189.03903	26.9
191.06996	1.8
201.09088	2.2
205.08569	16.4
211.07538	5.4
213.03920	3.4
229.08586	20.9
231.04996	20.8
247.09639	19.8
249.06094	8.3
315.08652	4.2
333.09488	9.9
341.23126	1.6
351.10577	2.6
369.11807	13.8
404.22952	2.7
566.18878	1.7
566.28058	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	566.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	41.2
64.40370	1.3
65.03941	1.5
67.05507	9.2
69.03419	1.3
70.06578	1.3
72.79545	1.3
79.05477	2.0
81.07052	5.5
83.04980	100.0
84.05307	1.3
91.05474	3.6
93.07041	4.9
95.04954	4.5
97.02894	5.3
105.07030	3.5
107.08588	4.2
109.06528	1.7
109.10201	1.5
111.04442	4.8
111.08084	1.9
112.58347	1.1
119.08594	8.3
121.06531	2.1
121.10207	1.3
127.01555	2.4
128.06189	1.7
129.06995	2.0
131.08595	4.2
133.10143	2.4
135.08055	11.6
139.07558	1.8
142.07800	3.3
143.08569	4.2
145.06465	1.3
145.10106	3.0
147.08043	4.2
149.09618	2.5
155.07040	14.6
155.08414	2.2
156.09372	4.5
157.10146	10.2
159.08022	1.2
159.11726	2.0
163.07500	1.3
167.08604	3.6
169.10175	3.7
170.10919	3.1
171.11652	12.1
173.09660	4.1
173.13274	4.9
175.11169	1.7
177.09122	4.1
179.08572	3.9
180.09390	2.4
181.08694	2.6
181.10170	5.8
183.11641	5.9
185.09593	5.0
185.13284	5.6
186.10440	4.0
187.11203	1.4
192.09380	1.3
193.10139	7.5
194.10973	4.4
195.11658	6.9
197.13258	1.8
199.11214	3.9
199.62958	1.3
200.11971	6.6
201.12724	21.2
203.08597	1.5
207.11740	6.6
208.12511	6.5
209.09489	1.4
209.13222	12.2
211.11203	2.3
213.12732	11.4
217.10165	2.6
218.10799	1.8
221.13280	3.2
222.13974	2.3
223.11307	1.8
223.14789	19.0
226.87851	1.3
233.13321	4.4
235.14648	1.4
236.11926	3.4
237.12820	2.0
237.16423	4.4
243.35754	1.2
247.14832	2.8
250.13657	1.7
251.14317	20.9
253.12202	2.3
265.15897	7.3
269.15372	6.0
275.14206	1.6
283.13669	1.8
283.16901	11.7
283.46567	1.4
293.15341	8.2
301.17856	2.2
311.16385	65.8
312.16901	1.9
329.17465	24.9
353.17459	1.3
371.18448	6.6
411.21622	4.4
531.25934	20.0
566.30243	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	566.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47940	8.7
51.42919	8.6
55.05517	10.1
60.57771	11.1
67.05499	17.3
70.54389	11.6
70.54715	11.2
89.06006	11.3
91.05454	20.3
93.07043	32.0
95.04910	11.6
95.08607	21.5
105.07035	31.8
107.08576	21.9
109.06553	10.1
109.10194	12.5
111.04395	10.6
111.14751	8.9
119.08599	32.6
121.06561	11.6
121.10166	22.2
123.08052	10.2
124.03942	28.1
131.08562	21.4
133.10162	28.4
143.08534	19.0
145.10100	32.8
147.11681	15.5
149.09492	11.8
155.08569	18.8
157.10126	23.0
163.07578	13.9
164.05518	10.2
169.10138	21.9
171.11693	17.6
173.13254	20.2
183.11697	10.7
185.13179	14.2
187.14842	26.1
195.11665	13.2
197.13246	11.9
198.14116	11.5
207.11639	18.5
209.13347	11.7
225.16229	10.8
239.10547	10.6
249.16376	13.9
267.17365	15.5
277.15741	10.5
295.16922	67.7
313.17966	100.0
331.18848	16.7
416.45636	10.0
489.24686	74.9
542.36798	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	566.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.3
57.93731	1.4
67.05494	9.3
69.03422	3.4
69.07050	3.7
70.04261	4.9
71.04981	2.6
78.03428	1.6
79.05484	4.1
81.03403	4.0
81.07053	9.7
83.04976	2.8
83.08616	1.8
85.06514	3.2
87.04475	1.4
91.05467	8.8
93.07024	10.8
95.04958	5.2
95.08588	12.8
97.02877	6.4
97.06514	1.7
105.07026	14.8
106.02874	3.0
107.08607	7.5
109.06492	4.5
109.10152	2.6
111.04414	2.5
113.06007	1.7
117.06961	4.3
119.08563	28.4
121.06504	1.6
121.10126	5.1
123.08024	3.2
124.03943	19.1
125.05955	2.9
127.03893	2.0
128.06200	2.4
129.06998	2.4
130.07825	1.8
131.08569	10.5
133.10110	13.2
135.08029	4.8
135.11711	1.8
141.05495	4.1
141.06873	2.6
142.07726	5.6
143.08537	9.1
145.10124	17.7
147.08023	3.7
147.11662	9.7
149.09558	1.9
154.07910	1.5
155.06996	4.9
155.08557	5.8
156.09326	7.8
157.10143	12.4
158.10896	3.2
159.08018	3.9
159.11659	13.3
161.09610	4.2
161.13226	2.7
165.06973	1.6
167.08493	2.7
168.09296	3.5
169.10107	18.5
170.10841	7.1
171.11670	15.3
172.12328	1.7
173.09558	6.7
173.13235	17.5
175.11250	3.1
177.09116	2.6
177.12616	1.5
177.16428	1.4
179.08537	2.9
180.09355	1.6
181.10098	5.5
182.10944	3.8
183.11665	13.6
185.09607	4.1
185.13200	9.4
186.13980	1.9
187.11192	4.7
187.14833	9.2
188.11934	2.6
189.12718	2.1
193.10117	4.4
194.11024	1.8
195.11700	4.5
196.12459	4.7
197.09683	1.5
197.13266	13.9
198.13950	2.3
199.11188	1.9
201.12709	6.0
201.16351	2.6
203.10670	1.9
203.14203	2.4
205.10187	2.5
206.10953	2.6
207.11589	7.2
209.13181	7.9
210.13802	1.6
211.11214	2.5
211.14783	24.1
213.12709	1.7
213.16357	2.9
215.10638	4.5
215.14305	11.7
220.12517	7.6
221.09502	1.8
221.13239	4.9
223.11150	2.2
223.14809	2.9
225.12740	2.2
225.16357	6.8
229.12152	2.1
229.15862	3.7
231.10153	4.4
234.13828	2.9
235.14815	18.7
239.10594	1.6
239.17989	2.9
249.16351	8.9
253.12311	3.3
253.15810	11.5
255.13676	3.4
257.11649	1.8
266.13074	1.8
267.17331	6.5
269.15198	2.2
271.16962	8.6
277.15768	2.5
285.14865	5.3
285.18390	4.1
295.16885	23.0
303.19449	3.6
313.17926	100.0
314.18182	2.8
330.20810	1.6
331.19037	11.7
373.20035	52.0
374.20508	2.5
517.28656	1.4
529.84821	1.4
566.29388	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	566.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	12.6
68.48272	5.7
69.03445	6.3
71.04967	4.5
74.77234	5.3
81.07047	9.8
84.02970	4.8
91.05447	7.4
93.07024	13.1
95.08611	8.9
97.02891	7.0
105.07027	18.9
119.08546	34.6
121.10165	6.3
124.03997	9.5
131.08578	12.1
133.10135	6.5
135.08102	6.4
139.07526	5.4
143.08545	11.8
145.10091	17.3
147.11646	8.8
155.06999	10.1
155.08574	8.6
157.10124	21.8
159.11693	16.2
161.09636	5.8
169.10136	12.2
171.11702	11.8
173.09630	6.3
173.13264	22.8
183.11682	8.5
187.14824	7.2
193.10065	6.8
195.11714	7.4
197.13277	14.9
201.12727	7.6
209.13223	13.1
211.14815	23.7
213.07579	5.6
215.14247	17.1
220.12489	10.6
222.14153	5.5
225.16336	11.5
235.14856	16.8
249.16301	7.3
253.15799	9.3
285.14966	5.5
285.18491	8.2
295.16992	18.9
313.17981	100.0
313.29428	5.6
331.18985	15.6
373.20096	51.5
539.03265	5.8
566.29553	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	566.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
54.94876	0.9
55.01863	1.4
55.05502	3.0
55.53832	0.7
61.01357	0.7
65.03960	1.1
67.05503	15.2
69.03419	3.4
69.07050	2.6
71.04988	7.1
72.47992	0.7
73.92287	0.7
79.05478	6.0
81.03392	4.1
81.07051	10.9
83.04974	2.5
87.04446	1.6
88.88081	0.7
89.06025	5.1
91.05476	11.2
93.07037	9.8
95.04960	7.3
95.08597	6.6
97.02888	9.7
97.06519	2.2
103.05450	2.1
105.04451	0.9
105.07021	30.0
106.07384	2.3
107.08567	5.9
109.06494	3.5
109.10168	1.5
111.04433	5.7
111.08073	2.2
113.05990	2.2
115.05447	1.5
117.07018	4.3
119.04899	2.2
119.08574	50.5
121.04544	0.8
121.06519	4.3
121.10072	4.4
123.04445	2.6
123.08035	0.9
124.48778	0.7
127.01555	1.2
127.03902	2.9
128.06180	2.1
129.07008	3.5
130.07774	1.6
131.08554	11.1
133.06497	1.6
133.08583	1.9
133.10118	11.8
134.07259	1.9
135.08038	3.6
135.11739	1.3
137.05962	1.8
139.01569	0.7
139.07524	1.8
141.05460	9.7
141.06935	2.1
142.07768	6.3
143.08548	9.6
144.09370	1.4
145.06494	1.5
145.10117	15.7
146.07243	0.8
147.08064	5.1
147.11707	4.6
148.08331	1.6
149.06042	0.8
149.09596	2.0
151.07570	1.6
153.03117	2.2
153.09016	1.2
154.07773	1.4
155.07025	16.6
155.08527	6.9
156.09317	6.1
157.10117	16.3
158.10883	2.8
159.06734	0.7
159.08037	2.2
159.11670	15.5
161.09631	3.9
161.13226	1.6
163.07710	0.8
163.11116	1.0
165.06975	1.6
165.09126	1.1
167.08514	4.0
168.09335	2.4
169.10132	14.5
170.10886	8.8
171.11685	14.3
172.12399	2.0
173.09712	3.7
173.13240	14.4
175.07500	1.0
175.11163	2.5
175.14723	1.3
177.09061	1.5
178.07797	1.0
179.08559	4.5
180.09323	1.7
181.08676	1.3
181.10046	5.9
182.10858	4.2
183.08000	0.8
183.11676	16.4
184.12444	4.4
185.09598	6.2
185.11041	0.8
185.11613	1.0
185.13214	8.5
187.11217	5.1
187.14815	13.6
188.11977	1.9
188.43497	0.8
189.12709	1.2
192.09370	2.5
193.10095	6.4
194.10905	3.2
195.11685	8.7
196.12402	3.7
197.09578	1.8
197.13252	23.0
198.14021	5.2
199.11174	1.8
199.14825	2.4
201.09163	0.8
201.12711	6.6
202.13435	1.3
203.10641	1.4
203.14281	3.9
205.10150	2.2
205.15887	1.8
206.10866	4.0
207.11665	8.9
208.12424	2.9
208.23143	0.8
209.13232	11.0
210.10352	0.9
210.13965	1.2
211.11157	3.3
211.14813	14.2
213.12906	1.0
213.16356	1.7
215.10645	2.1
215.14331	4.1
216.15036	1.1
219.11661	3.5
220.12477	16.7
221.13252	6.1
222.14038	1.4
223.11293	1.1
223.14772	5.4
225.12733	2.5
225.16365	8.6
229.15915	1.6
231.10133	1.9
233.13263	1.3
234.13945	3.8
235.11240	1.6
235.14803	28.0
236.15451	1.7
237.12642	1.6
239.10689	1.7
239.17899	4.4
247.16846	1.0
249.16327	10.2
251.14256	1.6
251.17975	2.3
253.12256	3.5
253.15855	8.7
255.13814	2.2
257.11691	0.9
257.15347	1.0
259.14731	1.1
262.13525	1.2
267.13980	1.1
267.17450	6.9
269.15347	2.1
269.18793	0.9
271.13251	1.0
271.16898	6.5
277.15814	6.1
280.14584	1.3
283.15140	0.8
285.15317	1.4
285.18497	4.6
295.16907	36.8
296.17081	1.1
308.08054	0.7
313.17953	100.0
314.18301	4.0
331.02420	0.9
331.18988	10.2
355.19095	2.6
373.20038	11.2
401.23221	2.4
489.24945	1.1
566.28992	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	566.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
53.58875	1.0
55.05509	3.1
57.07064	1.6
62.12223	0.9
62.22919	1.0
67.05511	6.0
69.03420	3.3
69.07062	3.5
69.65959	2.5
71.04991	2.0
73.02856	1.0
75.53194	1.0
79.05490	5.6
81.03412	9.4
81.07070	6.4
83.08603	1.3
84.79023	0.8
85.06564	0.9
87.04470	1.9
89.06025	1.6
91.05455	6.5
93.07039	9.0
95.04972	4.5
95.08600	9.7
97.02879	7.5
97.06514	1.8
104.07118	1.5
105.07019	13.7
107.08586	6.1
109.06528	4.4
109.10149	1.7
111.04436	2.7
111.08080	1.3
115.05449	1.5
117.06998	3.0
119.08572	20.0
121.06521	3.3
121.10152	7.4
121.10938	1.2
121.98578	0.9
123.08072	3.2
125.04533	1.0
125.06000	4.7
127.03900	5.5
128.06219	2.0
129.06984	3.1
131.08571	10.0
133.06503	1.7
133.10103	11.1
135.08015	5.6
137.09644	1.0
139.03902	1.6
141.07014	1.5
142.07729	5.1
143.08571	8.4
143.09570	1.3
144.09306	1.5
145.10115	23.7
147.08051	3.0
147.11667	9.2
149.09595	2.7
153.05508	1.1
154.07736	1.4
155.08559	7.4
156.09323	7.7
157.10115	14.2
158.10928	2.8
159.08022	5.7
159.11682	12.3
161.09599	3.9
161.13272	2.6
163.07541	1.5
165.06955	1.4
167.08545	3.3
168.09335	2.1
169.08783	1.8
169.10121	14.3
170.10898	7.5
171.08078	2.2
171.11679	15.9
172.08842	2.0
172.12454	3.5
173.09624	10.6
173.13245	10.4
174.10110	1.1
174.13812	1.0
175.07458	1.0
175.11131	4.8
175.14888	2.4
179.08607	2.7
180.09369	1.9
181.10100	6.6
182.10922	4.1
183.11649	11.9
184.12558	2.2
185.09653	3.8
185.13246	10.3
186.10396	1.9
187.11201	9.1
187.14801	33.5
188.11917	3.6
188.15352	1.5
189.09126	1.2
189.12776	4.8
191.10583	1.6
192.09335	3.6
193.10103	6.1
194.10918	3.4
195.11667	7.2
196.12543	5.5
197.09663	1.9
197.13266	11.9
198.14005	3.4
199.05994	1.4
199.11212	1.7
199.14832	2.6
201.09254	0.8
201.12769	5.4
203.10692	2.2
203.14275	3.8
205.10225	1.3
205.15926	1.7
206.10974	1.9
207.11682	9.1
208.12482	1.0
209.13152	6.3
210.13974	2.2
211.11313	5.1
211.14784	25.2
213.12752	1.6
213.16396	5.6
215.10747	2.8
215.14307	13.9
216.15068	2.6
217.15836	2.3
219.11743	2.3
220.12479	4.0
221.13229	3.9
222.14000	1.2
223.11182	2.4
223.14833	3.4
225.09160	1.0
225.12735	4.8
225.16313	7.0
229.12309	2.2
229.15874	9.0
231.10179	7.1
234.14017	4.0
235.14793	13.3
236.15567	1.1
237.12724	1.7
238.13461	1.4
239.10759	1.1
239.14264	1.5
239.17908	3.1
241.12285	1.0
243.10118	1.3
249.16420	5.6
253.12218	2.9
253.15849	7.5
255.13805	2.9
257.11697	4.3
257.15668	1.5
266.13177	1.5
267.13989	2.1
267.17459	4.6
269.15393	2.9
270.12445	1.0
270.16074	0.9
271.13293	3.4
271.16904	2.7
277.15875	2.2
280.14682	1.6
283.13263	1.3
285.14847	6.9
285.18466	5.7
295.16907	21.9
303.19547	1.7
313.17960	100.0
314.18283	3.7
325.16998	1.0
331.19061	7.6
373.20068	85.9
374.20352	2.7
566.29968	14.1
566.43512	1.3
567.30090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	33.5
62.09286	11.4
68.99792	13.7
71.43208	12.5
79.05505	19.0
83.04959	100.0
91.05471	47.4
95.04974	17.1
103.05461	37.8
105.07019	33.6
117.07010	48.7
123.42775	14.8
125.09615	21.8
128.06224	23.1
129.06999	27.9
131.04945	94.1
131.08557	35.6
143.08562	44.0
145.10130	55.0
147.04395	17.6
155.08513	13.8
157.10197	27.1
173.09627	90.0
185.13269	25.3
197.00876	30.6
213.12755	36.3
231.13741	51.5
271.05579	13.9
283.05994	22.7
284.06473	22.6
288.01309	17.4
293.04523	15.2
294.04712	18.1
306.02484	71.4
367.14005	15.0
392.07770	79.8
548.12695	38.7
549.13550	20.4
567.13483	32.7
586.47760	14.2
593.82928	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31339	1.1
51.23071	1.1
55.05499	3.6
67.01843	2.2
67.05163	1.7
67.05502	21.1
69.03427	3.0
69.07056	3.0
69.22047	5.4
69.22449	2.7
71.04987	8.5
73.02922	1.5
79.05487	6.0
81.07048	16.8
83.04966	3.9
85.06542	1.4
87.04459	2.1
89.06023	3.7
91.05460	11.0
93.07032	12.0
95.04961	10.4
95.08593	3.6
97.02890	12.8
97.06528	3.8
103.05448	4.0
105.07021	27.2
106.07348	4.9
107.08588	6.0
109.06488	3.3
109.10165	2.9
111.04409	3.8
111.08070	3.1
112.37306	1.2
113.02057	1.4
113.05995	2.3
115.05431	1.8
117.07021	5.2
119.08570	63.7
121.06490	3.7
121.10102	2.3
123.04367	2.0
125.05962	2.0
128.06230	2.2
129.06924	3.1
131.04889	4.7
131.08575	6.4
133.08618	2.3
133.10136	7.6
135.08054	2.6
137.05963	1.7
137.09679	2.0
139.07509	1.9
141.05447	12.2
141.06940	2.7
142.07744	4.8
143.08534	7.7
144.09370	1.3
145.10089	13.1
147.08046	4.9
147.11702	1.6
149.09651	1.9
153.06955	2.0
155.07021	27.4
155.08499	6.1
156.09317	4.2
157.10129	15.0
158.10846	1.4
159.08070	3.2
159.11688	14.4
161.09627	4.2
161.13266	1.4
165.09154	1.6
167.08456	3.2
169.10124	14.3
170.10942	6.7
171.11710	15.7
172.12321	1.6
173.09651	2.9
173.13266	15.0
175.11182	1.7
177.09090	1.5
178.01321	1.6
179.08560	4.3
181.10104	3.8
182.10919	1.9
183.11699	14.0
184.12502	4.1
185.09586	4.8
185.13216	8.0
186.10283	1.7
187.11108	1.8
187.14772	3.1
190.01401	8.9
191.01660	3.8
193.10100	5.4
194.10876	3.5
195.11687	7.7
196.12372	3.3
197.09700	1.9
197.13235	25.3
198.13683	1.3
199.14787	2.9
201.12741	7.5
202.13458	1.9
203.14198	3.0
205.10121	4.4
206.10939	2.3
207.11731	7.5
208.02408	26.2
209.02733	9.6
209.13240	10.9
211.11162	2.1
211.14801	12.0
215.10791	1.3
215.14278	3.0
219.11720	2.7
220.12454	21.8
221.13188	5.8
223.14801	5.8
225.16327	10.8
229.16159	1.6
233.13255	1.6
234.13962	4.4
235.14801	39.7
236.15492	1.8
239.17924	3.0
249.16350	10.6
251.14409	1.8
253.04845	1.8
253.15800	12.4
255.13786	4.7
262.13425	1.6
267.17395	5.3
270.05161	1.5
271.16870	6.2
277.15845	5.2
280.14557	2.4
282.05215	1.9
283.15369	1.8
285.18509	2.4
294.04517	2.2
294.07532	9.7
295.07986	9.8
295.16876	29.0
296.17215	1.6
297.03827	2.5
303.19696	1.7
313.17953	100.0
314.18283	4.2
331.19052	11.5
373.20139	1.5
401.23206	2.3
419.06680	1.8
548.13055	1.5
566.15009	10.4
566.33362	7.4
567.14160	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
57.07069	41.4
59.04982	3.6
65.03945	1.4
67.05507	1.9
69.07063	5.7
70.02781	1.1
71.08624	76.0
73.02908	3.9
73.06576	2.3
77.03945	1.3
79.05488	6.3
80.05807	1.5
83.08603	1.3
83.53679	1.2
85.10175	40.8
87.04457	11.2
89.06021	30.0
90.06372	1.6
91.05466	29.5
93.07029	18.2
95.04945	9.9
95.08604	2.0
103.05446	8.6
103.07587	3.6
105.04566	2.4
105.07018	100.0
106.07347	18.5
107.04951	6.4
107.08595	8.1
113.00018	6.2
113.05950	1.7
117.07015	4.6
118.07800	3.6
119.04924	6.2
119.08578	10.8
121.04593	2.7
121.06490	58.7
121.10137	3.0
123.08081	1.9
127.01551	54.3
127.14874	2.6
129.06924	1.7
131.07036	1.9
131.08571	3.6
133.08580	15.7
133.10109	2.8
134.08873	1.4
135.08026	10.5
135.11681	3.5
139.01527	21.0
145.10120	3.8
147.08022	15.6
147.10146	3.0
147.11642	2.4
149.09601	12.0
150.06714	3.1
153.03091	51.2
159.11688	1.9
162.59676	1.5
163.11186	6.2
165.09087	17.6
175.11119	1.5
177.11195	5.2
177.12698	2.7
178.11542	1.4
183.04120	9.0
191.10689	5.4
193.12221	1.8
197.05711	23.8
209.11676	19.8
211.13306	5.3
215.06813	1.9
225.12657	3.6
227.06709	3.8
241.08411	5.4
247.20557	43.4
251.14320	2.3
259.09460	3.1
271.09396	3.6
273.22046	3.3
289.25211	2.1
291.23126	36.6
317.24670	2.1
332.43283	1.4
335.25754	21.5
352.28131	1.3
423.17697	21.5
423.83542	1.5
524.96173	1.7
549.31848	27.7
550.32538	1.7
566.40643	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	567.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
51.02366	1.5
53.03946	3.0
57.12511	0.6
68.99803	1.6
69.07564	3.1
77.03918	3.7
82.83676	0.4
83.01325	0.5
95.04964	14.6
102.04625	0.6
103.05475	2.7
105.03391	100.0
105.04407	6.5
106.03728	1.3
109.47089	0.4
118.00527	0.5
125.02357	2.9
129.03346	3.0
131.04929	1.7
136.22229	0.4
139.00256	6.3
147.04417	0.9
149.02312	0.7
153.01819	18.1
163.00284	0.6
171.03009	2.4
171.04294	0.7
177.01840	0.8
190.99754	0.6
194.07338	0.5
195.02934	1.5
197.00858	1.4
199.03918	0.8
219.02872	0.5
220.05241	0.8
222.06793	0.6
223.02435	0.7
230.99187	1.0
231.99896	0.5
232.05196	1.1
236.04718	0.8
238.06258	1.4
241.04950	14.3
245.13010	0.5
249.05461	0.9
250.06244	0.6
251.07021	4.8
252.04431	0.6
253.04930	0.8
255.06517	34.6
256.06870	1.1
257.00735	0.7
260.04666	0.7
262.06317	1.3
263.06952	0.5
264.04132	2.6
265.04938	1.5
265.08771	0.5
266.05676	1.2
267.06424	0.8
269.04443	39.6
269.98035	1.0
270.05045	2.0
276.04117	1.0
278.05695	5.8
279.06522	3.0
281.04443	1.0
281.08020	1.2
282.26041	2.2
283.06076	0.8
283.26447	0.9
284.06775	21.6
285.00436	0.5
285.07452	1.6
287.98962	0.8
288.04147	4.1
290.05914	1.0
292.03683	1.2
293.04456	2.9
293.07684	0.7
294.05228	1.3
295.05960	2.2
296.06177	0.6
297.97604	0.8
298.98196	2.7
299.05396	1.0
303.01208	0.9
303.06577	1.1
305.04657	1.2
306.05228	2.5
307.05981	2.1
309.07764	1.5
312.99734	2.2
316.03735	1.6
317.04486	0.6
318.05185	1.9
319.06250	0.7
321.04150	0.7
321.07376	3.1
323.05576	0.7
331.06012	1.0
332.03033	0.9
333.03906	4.3
334.04617	1.2
335.05533	5.6
337.07132	1.0
344.03098	3.2
345.04196	0.8
346.04831	1.5
347.05722	0.6
349.03094	0.8
349.06958	4.5
357.03967	2.6
359.05182	0.8
361.03055	0.7
361.07019	1.6
362.04257	2.0
363.04919	5.4
372.02759	1.7
373.03571	0.8
374.04211	0.8
387.04987	2.9
389.02750	1.6
389.06900	0.9
391.04559	0.6
391.09665	0.5
400.02145	6.1
401.02777	1.5
405.06186	2.7
414.03781	2.6
415.04477	18.6
416.04752	1.1
417.02448	7.1
418.02966	1.3
429.05951	3.3
433.06122	0.7
436.09460	0.9
448.09567	1.3
450.07300	1.5
463.07822	0.7
464.08823	6.4
465.09625	7.9
467.10989	0.9
474.07462	1.1
475.07574	1.1
478.07037	1.8
479.11340	6.5
489.09741	1.4
493.09210	16.7
503.07724	4.0
504.08331	1.9
505.09305	0.8
507.10760	26.9
508.11035	1.4
511.10266	1.2
516.08289	1.7
517.09198	19.2
518.09442	1.9
519.07019	4.9
520.07813	1.2
521.08972	2.1
534.09198	1.9
535.10297	29.3
536.10443	4.1
537.08746	1.5
539.12518	2.0
552.10498	1.4
567.12836	37.5
568.13300	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27319	0.8
55.05502	1.9
61.95160	0.8
67.05499	1.4
69.03423	1.3
69.61352	0.8
70.06586	1.3
70.61476	1.0
79.05495	1.4
80.05019	0.9
81.03425	2.2
81.07054	2.7
83.08596	1.9
85.02941	1.4
86.53710	1.0
87.04429	1.4
91.05477	2.5
93.07040	1.4
95.04944	0.9
95.08600	1.4
100.11240	2.8
105.07012	2.4
107.08577	1.5
109.10147	1.0
119.08557	1.4
121.10083	1.1
124.03947	17.2
127.03954	0.9
133.10104	1.2
137.05981	1.9
138.05507	2.0
139.12155	0.8
145.10141	1.8
147.04480	1.2
159.11603	1.6
161.13306	1.4
169.10182	1.1
182.15419	2.3
197.04419	0.9
210.14923	2.0
220.00629	0.9
221.09369	1.0
229.12022	1.0
234.23720	0.9
408.25293	1.3
489.13397	100.0
490.13794	3.4
507.14017	3.3
549.15277	1.3
567.15094	16.5
567.22974	5.1
567.30493	10.9
568.22351	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.22
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77201	0.5
62.75412	0.5
63.91076	0.5
67.05502	0.7
69.68586	1.7
73.02911	0.7
85.10048	0.5
86.26399	0.5
87.04468	1.4
89.06021	1.3
95.08599	0.6
98.22737	0.7
115.18660	0.4
127.01510	0.6
133.08665	0.6
153.03134	0.8
177.11188	0.5
307.18759	0.7
375.17773	4.4
419.16693	0.7
429.15146	3.2
447.16241	25.6
448.16345	1.2
495.23776	0.7
567.21930	100.0
568.22333	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	567.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85596	0.5
58.69864	0.4
63.48994	0.5
67.05489	0.8
69.67845	1.7
73.02917	1.2
87.04474	1.4
89.06032	1.9
105.07020	0.6
124.03923	0.7
133.08641	1.1
153.03119	0.9
375.17816	4.7
403.17465	0.7
429.15179	3.9
447.16232	29.5
448.16742	1.4
538.83423	0.6
567.21954	100.0
568.22278	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	567.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
69.03441	0.6
73.02905	0.6
73.91553	0.7
82.47908	0.5
85.02922	0.6
87.04460	1.9
88.99129	0.5
89.06030	2.2
105.06851	0.6
118.80904	0.6
127.01636	0.7
127.03950	0.6
133.08636	0.6
179.35313	0.5
192.38402	0.5
307.18967	1.0
357.64508	0.6
373.12646	0.7
375.17715	3.9
390.33499	0.5
401.15799	0.8
403.17444	1.2
429.15311	3.3
447.16260	29.0
448.16568	0.8
520.62866	0.6
567.21930	100.0
568.22321	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	567.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01870	2.5
55.05495	1.9
67.05488	3.3
69.03429	8.1
69.75886	2.7
69.76261	3.7
70.02972	2.4
74.00676	1.9
79.05481	2.8
81.03410	9.4
81.07059	3.9
83.04978	5.3
91.05492	2.3
93.07036	4.3
95.04983	5.3
100.01633	1.6
100.02203	7.3
105.07018	5.5
107.04958	1.5
107.08592	5.1
111.04434	6.6
111.05121	1.7
112.02151	3.3
114.03731	9.2
116.01659	2.8
116.06136	1.5
116.49625	1.6
117.07013	3.9
119.08592	6.7
121.10096	1.9
123.66089	1.7
126.03773	2.4
129.07027	3.6
131.08543	4.4
132.43793	1.8
133.10130	4.1
138.03769	2.7
140.05251	5.8
142.07764	2.8
143.08533	3.9
144.09299	1.9
144.96024	1.5
145.06529	2.5
145.10104	7.1
147.08060	1.8
155.08496	2.5
157.10109	3.1
159.08081	2.0
159.11693	4.6
161.09618	2.9
163.07544	1.7
163.11159	6.7
164.04980	1.6
167.08575	1.9
169.10101	1.9
173.09535	3.8
175.11226	2.1
181.10178	2.2
183.11739	3.5
185.13353	2.0
187.11208	7.0
203.04800	3.1
206.98915	1.8
215.08788	1.8
217.06400	2.6
229.06410	2.1
230.03487	1.6
233.67030	1.9
255.13783	5.5
258.13190	4.1
258.98538	2.4
273.14804	21.4
276.99728	1.8
349.03683	2.4
351.12732	2.0
361.15710	7.1
362.63104	1.7
368.16696	2.0
377.02930	3.9
379.16922	8.9
386.17749	5.1
395.04041	2.2
433.53638	1.8
471.19452	23.5
489.20468	100.0
490.20642	3.0
495.06723	1.9
567.05408	7.4
567.21783	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	567.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.03944	12.7
53.50444	0.6
55.01868	11.3
55.05507	18.3
57.03428	9.3
57.07072	1.8
61.02925	8.3
65.03934	1.3
67.05498	11.5
68.99784	8.0
69.03423	62.8
69.07063	12.2
69.90098	2.2
71.01345	1.6
71.04990	7.7
73.02911	11.1
75.70097	0.6
77.03920	1.0
79.05479	9.4
81.03411	64.1
81.07047	15.7
82.03770	1.0
83.01341	1.6
83.04969	2.7
83.08613	6.6
85.02897	100.0
85.06507	1.1
86.03220	0.8
87.00279	1.4
87.00822	42.4
87.04459	3.3
91.03947	2.5
91.05470	14.3
93.07037	20.6
95.04961	4.1
95.08596	28.6
97.02885	46.0
97.06505	1.4
97.10159	10.9
98.22777	1.0
99.04441	23.6
101.02336	1.7
103.03935	1.6
103.05409	0.9
105.01859	27.2
105.04494	0.9
105.06346	1.5
105.07024	23.9
107.04951	1.6
107.08580	24.1
108.42505	0.7
109.02869	58.7
109.06506	1.9
109.10146	16.4
109.10888	1.2
110.03195	0.8
111.04444	5.7
111.08082	1.3
111.11751	0.9
113.05975	2.1
115.03915	3.0
115.05439	1.0
115.81899	0.7
117.01846	6.1
117.05439	0.8
117.06991	6.8
119.04996	0.8
119.06091	0.8
119.08567	31.1
121.06493	2.5
121.10133	28.1
123.04417	0.9
123.08049	1.4
123.11720	5.7
125.06040	1.3
127.03902	94.5
128.04243	1.7
128.06232	2.1
129.01808	6.2
129.05510	1.8
129.06985	5.6
130.07780	1.2
131.04932	0.8
131.08553	13.4
133.06505	1.3
133.10117	27.4
135.08017	2.3
135.11685	13.0
137.06017	1.9
137.09598	1.4
137.13251	2.0
139.07552	1.5
141.05403	0.8
141.07014	1.4
142.07761	3.1
142.73367	0.6
143.08562	10.0
144.09315	2.7
145.04941	29.8
145.10098	17.1
146.10764	0.7
147.02898	6.6
147.08022	2.3
147.11671	16.6
148.12206	1.0
149.05959	2.5
149.09579	1.3
149.13220	9.0
151.03897	0.8
151.07516	2.2
151.11160	1.3
153.06982	0.8
153.09030	1.6
155.08551	2.8
156.09357	3.8
157.06479	1.6
157.10109	14.7
158.10881	1.4
159.02876	30.3
159.04192	1.7
159.08032	1.8
159.11676	22.1
159.12959	1.5
161.09624	2.8
161.13223	11.7
163.07521	3.3
163.11159	1.1
163.14822	7.0
167.08594	0.7
169.10100	3.0
170.10886	2.2
171.02899	1.2
171.08073	1.6
171.10324	0.7
171.11674	12.3
173.09593	2.7
173.13251	11.1
175.11172	1.8
175.14810	5.6
177.03838	1.8
177.12692	2.6
177.16379	2.9
179.10690	2.4
179.14381	0.8
181.10091	1.4
183.11700	2.7
185.09613	1.7
185.13234	11.5
187.05931	1.0
187.11136	6.2
187.14760	5.3
189.03918	2.5
189.09109	1.5
189.12711	1.7
189.16385	16.5
191.10600	4.1
191.14287	1.4
191.17928	6.1
193.12234	1.2
195.11713	2.2
197.13258	2.4
198.10291	1.4
199.11165	3.3
199.14818	6.5
201.12668	3.3
201.16348	8.4
203.10617	2.2
203.14604	1.4
203.17937	19.7
205.12219	10.7
205.15825	1.2
207.17339	0.7
209.11511	0.8
209.13293	1.2
211.14778	1.6
213.03931	4.8
213.12726	5.5
213.16356	3.6
215.14233	1.3
215.17911	2.7
217.12227	4.3
217.15710	0.8
219.13762	8.9
223.13129	4.5
225.16273	0.9
227.14301	3.0
227.17909	1.2
229.12227	1.4
231.04968	17.5
231.13745	12.4
233.15359	1.2
235.13257	1.2
237.14789	2.5
239.18002	2.0
241.15846	2.1
241.19441	4.9
245.15280	4.3
249.06024	1.0
249.14821	5.1
255.21021	12.8
257.22559	4.9
259.16898	2.4
263.16400	1.0
265.19537	4.8
273.22159	6.6
283.20520	21.1
284.20865	0.9
299.20126	1.3
301.21588	63.7
302.22000	3.8
317.21060	2.9
319.22638	59.2
320.23029	1.9
343.22620	1.3
391.22394	1.1
478.47919	0.9
513.24933	1.4
531.26276	1.1
535.18860	1.2
549.26770	4.6
567.28296	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	567.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80334	0.9
60.05661	1.0
69.46251	4.8
70.06586	4.4
71.47257	1.2
72.97394	1.1
81.36444	1.2
86.92978	1.3
109.01913	1.1
116.07055	1.3
125.54011	1.4
147.43625	1.1
173.07870	1.2
175.11890	6.4
181.91743	1.2
210.05762	1.5
213.05742	2.0
219.06847	1.8
220.05385	8.8
237.08150	20.4
238.06516	5.2
240.06926	1.4
255.07961	5.2
256.06363	3.6
266.14789	1.2
269.14621	4.7
274.07346	2.8
279.11673	1.8
280.07388	1.8
280.10013	2.5
286.39664	1.1
287.08286	1.2
295.11310	1.3
297.12579	1.5
304.11060	4.3
305.09506	1.8
306.12674	4.7
307.11053	1.9
309.12610	3.6
311.16919	1.3
316.11108	2.7
322.11954	2.0
323.10394	7.5
324.13599	3.2
325.12329	1.3
327.13654	7.2
331.12720	1.4
333.13968	9.2
334.12051	10.6
335.10739	1.5
340.13477	1.5
351.10172	3.5
351.14685	33.0
352.12988	15.4
353.11435	10.5
369.15796	38.9
370.14157	7.1
371.19986	1.7
375.16095	1.4
376.14297	10.8
377.12750	3.3
387.16821	2.0
393.17957	23.2
394.10199	2.2
394.15311	41.4
395.15344	1.9
411.17975	100.0
412.18121	6.8
435.19189	2.2
483.55167	1.5
485.27048	1.2
507.24966	4.0
525.13751	1.4
525.25720	8.0
529.92090	1.4
550.25281	1.8
567.28094	50.5
567.37097	2.6
568.28101	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	567.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
66.03433	0.5
67.05509	2.8
69.07063	1.1
71.04997	0.7
75.81396	0.5
78.03442	2.3
79.05493	2.5
80.05016	3.3
81.07059	4.1
81.76344	0.4
83.04997	0.7
83.08589	1.1
85.02892	1.2
91.05471	3.1
93.07047	4.1
94.78468	0.5
95.04974	1.0
95.08609	2.2
96.04515	2.9
97.06508	1.1
105.03569	0.4
105.07046	3.4
106.02917	5.3
107.08595	2.1
108.04484	2.7
109.10183	1.0
111.04416	0.5
117.07007	1.6
119.08556	2.7
121.10136	1.9
123.11713	1.0
124.03951	100.0
125.04285	1.3
129.07036	1.1
131.08542	3.3
133.10146	2.0
135.08041	0.6
135.11659	1.0
138.05499	1.7
143.08562	1.1
145.02890	1.4
145.10095	3.4
147.11705	2.1
149.09702	0.6
149.13203	0.8
155.08566	0.6
157.10135	1.3
159.11732	2.3
161.13274	0.6
169.10146	1.0
171.11629	2.5
173.13263	1.3
175.11229	0.5
175.14851	0.7
177.05510	1.9
183.11641	1.0
185.13286	2.0
187.14886	1.5
197.13222	0.7
199.14850	1.0
201.16281	0.5
209.13271	0.5
211.14784	0.6
215.18042	0.5
251.12646	0.9
283.15164	3.4
285.22058	0.6
304.85449	0.5
307.15164	0.9
339.17764	2.6
370.87372	0.5
396.25732	0.6
408.25305	13.3
409.25882	0.7
426.26367	9.7
444.27448	0.9
549.29669	9.2
550.30060	0.5
567.31433	45.1
568.31781	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	567.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05514	1.0
58.04216	0.6
63.66284	0.4
67.05508	1.7
69.07069	1.0
71.04996	1.2
71.13958	0.4
78.03449	0.4
79.05498	2.7
80.05010	0.8
81.03424	2.4
81.07046	2.3
83.04986	0.9
83.08601	0.7
85.02911	1.8
85.06506	0.5
87.04488	1.2
89.06034	1.0
91.05457	2.2
93.07036	2.0
95.04972	1.9
95.08603	1.6
97.02890	0.5
97.06516	1.4
104.22374	0.5
105.07014	2.7
106.02908	0.7
107.04952	0.8
107.08588	1.5
109.10166	0.6
111.07996	0.5
119.08569	1.6
121.02917	0.7
121.10133	1.3
124.03951	12.6
127.01587	0.6
131.08577	1.2
134.86142	0.5
138.05489	4.1
139.01529	0.8
139.05853	0.7
140.03366	2.6
147.11694	0.9
148.41312	0.5
149.09641	1.3
157.10150	1.0
175.11154	0.7
193.12285	1.0
195.13835	0.6
201.12903	0.6
203.05389	0.5
233.11400	0.7
251.12473	2.3
259.07819	0.5
267.69440	0.6
283.15137	11.0
285.22171	1.0
307.15115	1.7
339.17743	5.0
405.22726	0.6
408.25287	1.4
426.25986	1.0
549.29761	1.4
567.31970	100.0
568.32483	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	567.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00053	0.5
52.02255	0.5
66.40802	0.5
66.87919	0.6
67.05492	1.0
69.07059	0.9
69.74822	2.3
70.98035	0.5
73.02920	0.7
74.15650	0.6
79.05492	1.6
81.07035	1.0
87.04501	0.8
89.06021	3.7
90.52548	0.6
91.05471	1.9
93.07043	1.6
95.04974	1.3
95.08594	0.9
103.05464	0.8
105.03396	3.6
105.07015	12.9
106.07357	2.1
107.08593	1.2
112.08975	0.6
119.08566	2.6
121.10130	1.0
127.01600	0.7
131.08575	1.2
133.08630	1.8
133.10062	1.2
137.99229	0.6
145.10106	1.8
147.11659	1.2
150.16309	0.7
157.10130	1.0
159.11682	0.9
169.10144	0.9
179.11624	0.6
271.16809	0.7
295.16901	0.9
313.17999	2.2
331.19046	0.8
368.13129	0.7
551.26062	1.4
567.32886	100.0
568.33057	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	567.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04521	0.3
54.41317	0.2
68.03834	0.2
69.07056	0.6
70.06586	100.0
71.06919	0.6
71.41248	0.2
71.47962	0.3
79.05453	0.3
86.09697	20.9
93.62067	0.3
97.02863	0.3
98.06029	1.7
112.11226	0.4
114.09151	0.5
116.07088	0.4
116.62808	0.2
123.09190	0.3
126.05523	0.6
137.06001	0.7
137.07021	0.3
139.08646	0.7
141.10211	16.4
152.09436	0.9
165.13855	0.7
167.07146	0.3
169.09714	14.5
183.14912	26.9
184.15265	0.4
189.12328	4.0
209.16397	0.4
211.14392	13.4
236.17590	1.2
237.15984	0.5
254.18651	0.4
264.17090	3.4
266.15039	0.4
282.18127	4.4
286.17584	47.4
287.17950	0.9
324.22714	0.6
351.23798	0.5
379.07553	0.3
379.23416	2.3
399.25986	5.1
464.32547	1.4
492.31635	2.0
496.31451	0.7
528.86554	0.2
541.07520	0.3
567.34967	10.6
568.35242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
51.36420	0.9
54.03463	1.0
62.06428	1.1
68.39574	1.0
68.99796	2.9
76.31940	0.9
84.08085	1.0
91.05472	1.6
95.04999	3.2
103.05467	27.4
105.03400	2.8
107.01385	1.3
110.02422	2.3
111.03204	2.8
117.07029	1.0
123.00871	1.3
124.01557	1.1
131.04924	78.6
132.05293	1.5
136.03951	3.6
138.01837	10.3
139.02655	1.8
140.03465	2.2
148.03934	1.1
149.02501	1.1
150.01894	2.6
151.00262	1.4
154.01370	1.2
155.04916	1.0
165.01897	2.0
165.04271	1.0
166.01360	14.8
166.99985	1.6
167.02139	29.6
168.02921	7.7
169.01344	2.0
173.06023	3.2
176.03423	3.0
178.01355	13.0
178.04950	1.6
179.03412	3.1
179.59793	0.9
180.02895	2.6
180.17383	1.4
184.02420	3.7
185.03194	10.7
188.03552	1.8
190.01384	2.4
191.02072	1.2
192.02930	7.2
193.03665	1.3
196.02458	3.2
199.04118	1.3
200.03557	1.7
202.01489	1.1
202.04918	1.2
204.02953	4.3
206.00838	1.9
218.00885	6.4
218.04425	8.0
220.02470	3.7
222.03975	1.2
223.07565	2.2
225.05524	5.2
228.02895	4.8
230.04506	1.1
232.02379	1.8
238.06186	1.1
241.04976	2.0
242.08162	3.5
244.02501	1.0
246.03973	16.5
248.01955	1.5
255.06512	7.3
256.02393	1.2
256.07034	1.6
260.01956	1.9
264.01419	2.6
268.00516	1.2
270.04306	1.8
270.07642	7.5
271.08377	12.5
272.02002	3.2
272.09274	3.9
274.03491	1.6
280.06146	1.3
282.07587	15.6
282.10513	1.3
288.01373	4.0
290.02975	1.3
296.01920	5.6
296.09375	2.2
297.99875	1.9
298.03302	1.0
306.02380	7.2
314.03006	1.8
316.00931	2.6
317.01672	1.5
322.06967	5.2
324.01450	7.8
332.09308	2.9
336.08789	1.4
342.02512	2.7
350.10214	44.1
351.10837	1.8
354.05862	1.4
376.08231	3.3
378.09781	2.4
392.07556	5.3
400.08191	5.5
410.08569	2.7
418.09454	2.4
420.06613	5.7
421.07779	6.6
428.07697	10.5
446.08694	13.1
447.07852	1.2
464.09705	15.3
465.09439	1.5
476.14871	2.1
496.13861	2.9
504.14285	2.8
518.09467	1.3
522.15662	2.6
524.13422	24.4
525.14160	9.1
526.14355	1.0
532.13983	13.1
546.99030	1.0
550.14996	28.5
551.16266	1.2
568.16010	100.0
569.16541	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	568.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48889	1.1
55.01870	3.8
61.01148	3.1
67.40034	1.2
70.15491	2.1
70.15825	2.9
72.04507	2.0
73.01133	12.8
73.02899	2.7
74.00665	2.9
74.02438	3.2
75.01453	2.3
75.02707	10.8
80.05025	1.3
81.03389	1.3
81.14580	1.2
83.06113	2.5
84.04500	30.9
90.03771	100.0
94.86842	1.4
101.00594	53.9
102.05531	2.2
108.04517	2.3
112.03946	6.1
118.03219	4.8
119.01636	15.3
128.05309	1.4
129.06580	6.2
130.04996	31.6
136.04025	2.0
150.23883	1.2
153.06612	6.5
154.04988	2.4
156.04770	10.9
176.03749	56.1
179.07579	1.1
181.06065	4.3
184.04265	1.5
187.59932	1.2
190.03722	1.8
193.06418	24.0
199.07156	3.6
201.06929	3.3
202.05295	5.7
216.77942	1.4
219.07947	1.6
229.06335	10.1
230.04800	50.3
230.07095	2.7
247.07465	21.5
259.07443	4.3
265.42038	1.3
269.25406	1.3
279.43399	1.3
299.06784	2.4
310.10190	1.8
316.09589	6.6
319.07889	3.3
322.10608	18.1
328.11435	2.1
336.10339	10.1
347.07217	11.4
357.99686	1.5
364.10010	8.2
371.69806	1.6
404.09283	1.9
422.09973	2.6
427.12775	2.3
439.13187	21.3
445.13895	2.0
461.85580	1.5
465.14771	1.5
493.14420	2.4
568.17163	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	568.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	100.0
59.04997	8.3
67.05505	3.0
78.03472	3.0
79.05489	4.1
81.07050	3.3
84.96024	6.7
87.04469	4.8
89.05997	13.0
91.05478	7.4
93.07059	4.5
95.04977	3.7
95.08578	3.3
95.25055	2.9
98.97588	26.9
103.07572	7.0
105.07014	30.5
106.02916	4.5
107.08614	6.7
116.98600	20.6
119.08554	7.5
119.33227	3.2
124.03957	5.2
131.00201	7.0
133.08604	4.3
133.10240	4.2
134.99658	14.4
137.02843	3.6
138.05487	34.3
139.05853	10.9
143.00188	7.6
145.10115	5.8
149.01247	4.1
159.03320	3.8
161.01205	16.5
169.01738	4.7
173.01251	7.7
175.02608	2.7
179.99655	4.1
183.03212	3.5
185.01282	4.6
185.13274	3.6
187.02788	5.8
187.14854	3.9
198.00725	33.8
199.02731	3.6
200.76546	2.6
209.04907	2.8
215.02191	5.2
216.01808	26.0
222.00865	4.9
259.09747	3.6
261.08163	3.3
263.09680	3.7
271.10309	3.2
275.09579	2.8
283.10080	3.6
285.11545	5.2
287.13181	4.2
289.07687	2.9
289.10944	5.1
291.12802	3.8
301.11044	5.7
303.12643	7.7
311.13235	8.2
313.14764	11.9
315.12711	4.1
321.13812	3.4
323.13187	3.5
329.14331	9.2
331.12277	4.1
331.15768	10.4
339.12637	11.3
340.12250	3.2
341.14236	15.3
357.13745	30.9
359.15366	16.1
367.12085	6.3
375.14801	20.4
377.16580	3.3
383.15259	5.6
385.13013	7.7
401.16269	6.1
403.14197	12.4
426.16467	3.1
464.17554	4.8
480.16812	18.4
482.18338	3.1
503.18796	3.0
506.18579	6.2
508.16983	5.3
522.17847	42.5
524.19495	4.2
540.19171	17.0
550.18182	3.6
567.30359	3.4
568.19141	36.2
568.28967	23.4
569.19824	5.7
586.19604	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	568.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36664	0.5
55.05502	0.6
59.04207	0.4
59.04996	0.6
67.01620	0.9
67.05511	0.5
68.15834	0.4
69.03439	0.6
70.06599	0.7
73.02911	0.7
79.05466	0.6
81.03423	2.4
81.07085	0.5
85.02913	0.7
86.09686	0.6
87.04472	1.6
89.06024	6.9
90.06380	0.6
91.05464	0.9
91.06425	0.5
95.08635	0.7
96.18582	0.4
97.02909	0.5
100.11246	0.7
105.07053	0.7
107.04941	0.8
109.02869	1.3
121.02888	1.4
122.07674	0.4
124.03961	3.0
127.01569	3.7
127.03916	1.2
133.08595	2.9
133.10164	0.5
135.08018	0.9
139.01535	0.8
142.12347	0.8
144.07722	1.2
144.61711	0.5
150.05469	0.6
151.03865	0.5
153.03084	4.6
163.03842	0.5
163.07542	1.3
164.07912	1.2
166.08968	2.2
177.11285	1.5
183.04300	0.5
188.10408	1.0
197.05801	1.6
210.11583	0.6
220.09552	0.7
221.09883	0.7
271.06009	1.0
283.17542	1.0
286.04694	0.7
289.99191	0.5
301.07123	1.3
359.65524	0.5
405.02365	1.8
462.18777	1.2
508.19427	2.8
508.26337	0.5
551.06116	0.8
568.21497	100.0
569.21759	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	568.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11983	0.7
56.05010	0.7
57.03435	0.9
61.02913	0.9
69.03425	2.8
69.08749	1.2
69.09155	4.7
70.06586	84.7
71.06917	6.6
78.04700	1.0
79.05489	2.9
81.03434	1.1
85.02892	5.0
86.09703	14.4
87.04469	0.9
87.10021	1.9
91.05481	5.0
94.37946	0.8
95.04977	2.1
97.02876	1.2
98.06055	1.7
99.44457	0.7
103.05450	1.5
105.07021	3.2
106.04189	1.2
107.04966	4.3
115.05460	1.0
117.07030	1.0
119.04958	3.0
119.08634	1.3
121.06543	0.9
123.04417	5.0
124.05234	1.7
127.03918	1.3
129.07014	3.4
131.04913	2.7
132.05688	1.5
133.06496	3.1
134.03644	1.0
137.05957	1.0
141.10194	12.5
142.10689	0.9
143.04961	0.8
145.04895	1.2
145.06433	2.1
147.08035	3.2
151.07579	4.3
152.04694	1.4
152.09489	1.0
159.08005	2.3
161.05951	9.2
162.06609	0.9
167.07024	100.0
169.09706	11.0
170.10068	2.3
173.05942	0.8
175.07535	17.3
179.07014	10.4
179.08444	1.0
180.08629	1.0
181.01738	0.8
183.14920	19.1
184.15312	4.2
187.07512	9.8
189.12364	3.0
190.07899	0.8
190.12701	0.8
191.06993	10.2
191.08488	1.3
193.08586	2.4
199.07571	2.8
203.08591	2.2
205.06737	1.1
205.08534	4.8
206.07253	1.1
211.14429	9.2
212.14745	3.8
217.08659	2.7
218.07295	1.0
221.09453	1.8
223.09738	1.2
234.06612	1.1
235.09746	1.0
236.17606	0.9
249.09163	2.6
251.07199	0.9
261.09131	0.9
264.17105	2.8
267.10080	0.8
277.08600	1.9
278.09372	0.8
281.11783	4.5
282.18079	1.7
283.18423	1.2
286.17578	29.9
287.17896	12.3
289.08469	0.9
293.11572	0.9
307.09647	1.8
309.11218	4.3
321.11133	2.3
326.11462	2.3
327.12360	0.8
341.13766	17.7
344.12616	1.8
353.13828	5.2
359.14865	6.8
371.14874	9.2
399.26028	2.0
400.26328	2.7
415.28369	1.0
493.31805	1.1
567.34912	3.0
568.35779	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.7
55.05504	2.4
62.43619	1.8
63.36101	1.6
67.05510	1.6
69.03420	4.6
70.06583	7.1
77.03938	1.8
79.05493	5.7
81.03404	7.4
85.02898	10.4
87.04457	3.3
89.06035	20.7
90.06364	3.9
91.05448	2.2
95.04956	1.6
97.02913	2.5
100.11250	4.5
104.07115	2.3
105.07037	3.5
107.04987	9.8
109.02805	1.7
110.07216	2.2
115.05437	12.4
117.06993	11.0
119.04933	2.0
119.08598	1.6
121.02850	4.0
122.03612	3.7
123.04441	2.1
127.01572	11.3
127.03924	2.8
129.07002	8.4
131.04930	3.7
131.08524	1.9
133.06390	1.7
133.08598	6.0
134.08907	2.8
137.05966	72.1
143.04913	9.3
144.05675	3.1
145.05008	2.2
145.05226	2.6
145.06468	25.1
151.03914	2.0
152.04660	2.2
153.03128	11.6
153.05597	1.8
154.03470	2.6
155.06039	4.7
156.05664	3.9
157.06494	6.7
158.07108	1.8
159.08051	4.6
160.05219	11.6
161.05992	3.4
163.07523	2.7
167.07011	38.4
172.05188	3.9
173.05966	41.7
174.06731	2.0
175.07532	100.0
176.07941	2.1
177.05443	2.1
187.07518	35.3
189.09126	5.4
190.06226	18.1
193.08681	2.9
197.05730	5.1
203.07063	6.0
205.08588	90.7
217.08589	36.8
219.10204	3.4
232.08926	2.1
235.09634	41.1
241.08508	3.2
247.09691	10.1
249.09189	3.9
261.09048	4.7
265.10678	24.3
277.08713	3.3
281.11682	2.6
285.07587	2.8
293.11734	4.2
300.09897	8.5
301.10623	5.0
301.21527	3.2
302.21921	3.9
307.09744	1.8
309.03934	3.2
309.11237	5.1
321.11118	6.7
337.03561	3.2
341.13837	8.2
353.13760	14.1
371.14890	27.4
388.18262	3.9
393.11752	2.6
405.02457	22.3
423.03479	2.2
541.20013	1.7
551.05884	11.1
567.43182	8.9
568.05670	2.2
568.24188	4.1
569.06952	2.1
580.83252	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	568.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93676	2.7
56.86702	2.7
70.06585	6.6
81.03420	5.0
81.07051	4.2
82.47041	2.6
85.02893	10.0
87.09828	2.7
89.06035	7.1
91.05490	4.8
95.04983	4.0
100.11256	3.0
103.05486	3.5
105.07030	5.7
107.04937	10.1
109.02934	3.2
115.05422	14.8
117.07011	13.8
119.04996	2.7
121.02884	9.2
122.03682	3.3
123.04459	3.7
127.01535	5.9
127.03923	3.1
129.06976	8.7
131.04965	4.2
131.08574	4.7
133.08549	3.5
137.05971	86.9
143.04915	10.4
144.05679	5.5
145.06474	25.0
153.03098	6.3
155.06018	3.8
156.05740	2.8
157.06459	8.2
159.08089	4.6
160.05202	14.8
161.05945	7.4
167.07028	50.0
173.05971	40.8
175.07529	100.0
177.05450	5.1
179.07036	3.8
187.07520	40.2
189.09052	7.0
190.06248	18.6
203.06963	3.6
205.08595	97.1
211.07639	3.1
217.08578	38.7
219.10004	4.2
235.09625	49.6
241.08511	4.3
247.09625	5.7
249.09038	3.9
261.09164	6.2
265.10681	27.3
285.07632	3.0
293.11737	3.3
300.09912	8.4
301.10666	4.8
301.21649	6.5
302.22018	4.9
309.03897	5.5
309.11160	5.3
315.39740	3.0
321.03979	3.9
321.11133	8.0
337.03183	4.4
341.13754	8.3
353.13721	18.8
371.14960	29.5
405.02347	13.0
423.70709	3.5
506.19632	3.9
551.05750	6.3
567.43121	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	568.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.4
57.96449	5.1
58.93561	4.2
67.05502	13.2
69.07062	10.8
69.50893	15.9
70.05173	4.9
76.14283	5.4
79.05497	16.5
81.07068	13.6
83.08598	8.0
89.06043	10.2
91.05470	26.2
93.07051	21.5
95.04971	21.3
95.08589	19.5
105.03387	91.2
105.04512	10.6
105.07016	40.7
107.08581	22.3
109.06489	12.7
109.10166	5.6
117.07039	8.5
119.08562	40.3
121.06496	5.9
121.10173	14.3
124.35785	4.7
129.07018	6.6
131.08546	14.7
133.10158	18.4
135.08020	6.8
137.05952	6.3
141.06960	6.2
141.54132	4.5
143.08531	16.4
145.10146	14.0
147.08096	8.3
147.11708	21.2
149.09662	8.4
155.08577	9.1
157.10168	14.5
158.10944	7.5
159.11700	16.1
161.09625	7.8
161.13139	5.2
163.07605	5.7
169.10139	14.4
172.12469	5.5
180.09389	4.4
183.08005	4.6
183.11678	14.3
185.13220	6.2
196.12480	7.0
209.13297	6.7
211.14838	8.0
221.13365	6.2
223.14848	8.7
225.16371	5.3
251.17969	9.3
253.12210	6.3
253.15788	6.7
257.15436	5.6
267.17365	7.8
271.16925	13.7
284.29449	6.2
295.16882	50.7
311.29376	8.3
313.17966	72.3
321.50870	5.3
331.19205	9.1
429.22662	7.4
435.21405	5.4
453.29672	10.7
551.26459	35.2
567.32556	6.5
568.33228	100.0
568.56189	25.8
575.88837	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	568.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01869	2.7
55.05504	3.6
56.05030	3.2
57.03430	4.5
58.06576	1.1
60.08158	1.2
61.02919	15.6
65.52150	1.2
67.05493	6.3
68.05007	1.3
69.03424	16.5
69.07063	3.4
70.06580	8.6
70.22681	2.6
71.04977	2.9
72.04556	1.8
72.08158	1.7
73.02920	8.2
79.05486	9.2
80.04999	2.6
80.81686	1.0
81.02962	1.9
81.03414	25.0
81.07050	12.2
82.06576	2.3
83.04984	6.1
83.08620	7.9
84.04486	8.3
84.08128	4.6
85.02908	17.5
85.06534	3.8
86.06061	39.8
86.09718	1.9
87.04463	26.7
91.03947	8.4
91.05490	6.9
93.07045	8.5
94.06559	1.4
95.04948	9.2
95.08578	6.6
96.04478	1.2
96.08130	2.1
96.60857	1.2
97.02895	13.0
97.06530	6.0
97.10161	2.2
98.06053	23.0
99.04424	1.5
101.02377	2.2
102.05518	1.8
104.07104	33.6
105.07014	5.5
105.25266	1.1
107.04942	2.1
107.08585	6.8
107.88433	1.1
109.06487	1.7
109.10178	1.5
110.07153	2.6
111.08051	3.0
112.07605	10.7
119.08580	5.9
120.08097	2.0
121.06413	1.7
121.10117	7.3
123.08051	1.8
124.07565	5.0
126.05502	6.3
127.03917	4.5
129.07021	2.3
131.08542	8.4
133.06430	1.1
133.10110	3.5
134.02545	1.1
135.11641	2.3
136.07574	1.5
138.09123	1.5
138.12756	3.5
139.11162	1.3
140.07114	3.1
142.08617	3.9
145.04948	2.1
147.08067	1.8
147.11638	5.3
148.07529	2.2
149.09602	27.0
149.13277	1.5
151.03902	1.6
151.11189	1.7
156.07787	1.3
157.10109	4.7
158.08121	7.3
160.05092	2.1
163.11259	1.8
165.12714	3.5
166.12227	2.5
167.10701	1.7
173.13257	1.7
175.11206	7.0
175.14853	1.7
177.12738	2.7
182.15387	2.9
184.13303	3.9
191.10675	2.5
192.07660	3.3
193.12248	31.0
195.13800	2.0
206.15538	1.6
209.11693	4.2
210.14893	9.6
211.13324	3.4
216.13850	1.1
224.16472	4.3
227.12755	8.1
234.14793	2.9
250.17909	3.2
252.15929	12.2
260.16470	4.9
267.15939	18.4
268.19073	2.7
270.17105	1.5
278.17545	9.9
285.16928	31.2
286.17249	1.4
286.19992	1.5
296.18555	3.8
302.19550	1.9
309.16995	2.0
314.19556	3.7
326.19586	4.1
344.20667	15.0
345.21252	1.2
352.21106	2.8
362.21658	24.7
370.22131	18.6
377.39935	1.3
388.23273	88.3
389.23727	2.8
506.25717	1.5
524.27185	2.0
532.27246	3.5
550.28558	100.0
551.28662	3.4
568.19202	2.1
568.25830	2.4
568.32874	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	568.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.1
57.03441	0.9
57.07042	0.7
61.02920	0.7
62.17823	0.6
67.05482	1.6
69.03412	2.2
69.07054	2.9
70.06567	1.3
79.05475	3.5
81.03403	1.0
81.07056	5.3
83.04977	1.3
83.08591	1.4
85.02898	5.2
86.09687	1.3
91.05470	7.1
93.07028	4.8
95.04949	2.0
95.08591	5.0
97.02861	2.0
97.06467	1.1
105.07019	22.3
107.08583	17.9
109.02858	1.3
109.06507	1.5
109.10120	1.1
115.05427	0.9
117.06995	2.0
119.08566	26.3
120.08103	1.4
121.10124	5.3
123.08045	1.8
127.03892	1.5
129.07001	2.6
131.08554	19.8
133.10112	44.5
134.10422	1.2
135.08067	3.4
135.11662	6.0
137.09596	1.9
138.47014	0.6
143.08533	3.5
144.09322	1.3
145.04938	1.5
145.10126	8.7
146.10849	0.7
147.11676	14.6
149.09570	0.7
149.13222	3.5
151.03918	0.7
155.08612	0.7
157.10095	1.5
158.10916	4.9
159.11694	1.3
163.14792	2.0
171.11668	1.1
173.13243	87.6
174.13576	1.7
175.14803	100.0
176.15134	2.4
191.14276	12.7
209.15324	2.3
210.13297	0.7
222.13190	1.0
250.12639	0.8
291.08948	0.8
291.15753	1.3
369.59644	0.7
380.17349	0.7
568.26569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.8
57.03450	2.2
61.02920	3.7
67.31167	2.4
69.03428	10.0
69.07056	2.2
70.06583	2.1
71.05020	2.0
77.72065	2.1
79.05487	3.7
81.03403	3.7
81.07066	5.8
83.04984	2.4
85.02905	38.9
93.07043	7.9
95.08614	5.6
97.02899	12.6
97.06528	100.0
99.04430	2.9
105.07062	2.6
107.08579	10.2
109.02896	4.8
109.06517	3.0
109.10162	4.9
111.08105	2.4
119.08595	2.5
121.06599	2.6
121.10139	7.4
124.03945	3.5
127.03915	9.0
131.04893	2.6
133.10135	4.8
137.06010	2.5
137.09543	3.1
145.04944	15.6
147.11725	2.1
149.09579	2.9
149.13258	12.0
151.11151	4.3
163.06023	6.8
163.14830	4.3
167.07225	2.6
169.12254	12.0
173.13255	4.0
191.14311	8.8
209.15408	13.9
227.16408	75.0
228.16833	2.7
325.11188	2.3
379.58173	2.1
568.96655	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	568.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01857	1.0
55.05499	1.5
57.03433	3.8
57.07070	0.8
59.04986	1.2
61.02918	3.3
67.05489	1.8
69.03427	8.6
69.07051	2.4
69.22800	2.4
70.89096	0.4
71.04995	2.6
73.02904	0.9
75.04482	0.6
79.05482	1.0
81.03423	2.9
81.07044	3.8
83.04968	2.8
83.08607	1.7
85.02898	33.1
85.06528	1.2
86.03223	0.6
87.04478	0.8
91.03942	1.3
91.05465	1.4
93.07027	2.1
95.04964	0.7
95.08601	3.2
97.02882	8.3
97.06526	1.2
97.10155	0.8
98.22758	0.8
99.04437	1.9
99.08080	0.7
103.03931	0.6
105.07016	1.6
107.04904	0.6
107.08588	13.8
109.02872	2.7
109.06511	2.0
109.10146	12.3
111.08067	1.6
119.08563	0.9
121.06482	0.6
121.10142	10.4
123.08064	1.0
123.11705	1.5
125.09638	3.8
127.03913	7.9
129.09081	0.8
131.08556	1.6
133.10120	3.4
135.08064	2.2
135.11693	3.0
137.05984	0.5
137.09612	7.6
139.07550	0.6
139.11163	1.9
145.04936	13.8
145.06621	0.6
145.10095	0.7
146.89064	0.5
147.11639	2.3
149.09583	1.4
149.13235	7.3
151.03897	1.0
151.11168	14.3
153.09087	2.4
153.12787	0.9
158.10861	0.8
163.06017	7.0
163.14801	8.7
165.12683	0.8
169.12225	3.7
173.13226	9.0
181.04826	0.7
191.14293	33.3
202.78015	0.5
209.15340	17.7
210.15677	0.6
224.89803	0.5
227.16394	100.0
228.16698	2.0
325.11179	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74820	2.4
53.96279	2.3
58.14819	2.9
67.05489	4.5
71.05015	3.0
93.07096	3.3
95.04930	2.9
97.02931	4.7
98.22733	5.9
107.08553	2.5
119.08532	5.0
135.08029	8.3
138.05496	24.7
143.08539	2.6
155.07034	9.1
157.10115	6.8
159.11705	4.2
171.11665	7.1
173.09659	3.7
173.13203	3.3
181.10068	3.9
183.11604	3.6
185.09669	3.1
185.13205	5.9
193.10103	3.1
194.10910	3.3
199.11099	3.0
200.11948	5.0
201.12735	10.5
207.11615	4.9
209.13281	7.4
213.12779	3.8
223.14850	11.5
251.14264	8.5
269.15329	5.1
277.39893	2.4
283.16861	8.4
293.15292	5.4
299.30743	2.6
311.16357	34.5
314.18228	3.8
329.17386	19.8
355.18921	2.6
369.20779	2.4
371.18277	5.3
399.21686	5.0
421.90155	2.5
480.25958	14.6
519.26001	3.5
568.19354	31.5
568.30890	100.0
569.31226	7.4
590.77942	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.0
55.01868	6.7
55.05499	2.6
56.23362	0.6
57.03432	6.0
60.04527	1.2
61.02928	5.6
67.76598	0.7
68.99764	3.9
69.03425	34.6
69.07060	1.1
71.04976	4.2
71.43385	0.6
73.02917	7.7
79.05476	1.1
80.04995	1.0
81.03413	27.3
81.07043	2.9
83.08634	1.0
84.04504	0.8
85.02899	100.0
86.03241	1.2
86.17128	0.6
87.00826	34.2
87.04471	2.3
89.06030	1.6
91.03950	2.2
91.05467	1.7
92.07621	0.6
95.08627	1.4
97.02886	29.5
97.10177	7.3
98.06067	1.0
99.04446	14.2
101.02351	0.8
103.03929	0.9
105.01862	40.5
105.07022	1.5
107.04960	1.9
108.04488	7.3
109.02873	30.7
109.10156	1.0
111.11714	0.8
114.40539	0.6
115.03952	1.5
117.01854	3.9
117.76226	0.6
119.08587	1.1
121.06522	0.9
123.11691	2.7
124.03953	0.7
126.05512	3.5
127.03907	65.0
128.04179	0.9
128.06270	0.7
129.01822	4.3
129.06946	0.8
133.06473	10.0
133.08623	0.8
138.05516	1.0
145.04948	33.2
146.04439	0.7
147.02849	4.2
147.08040	19.1
149.09604	63.8
150.09969	1.1
153.01863	0.6
157.07637	2.3
159.02873	17.5
159.08049	2.5
161.09666	4.6
163.11177	2.4
171.08037	1.0
173.09578	1.1
175.11165	12.1
177.03944	1.7
182.12090	0.6
187.11177	1.4
189.03984	3.7
189.12730	76.1
190.13058	1.8
191.10626	1.4
201.12735	5.7
203.14275	10.4
212.05621	0.9
213.03882	3.1
215.10690	1.3
222.64816	0.6
229.15849	0.7
230.06615	2.5
231.04980	22.2
243.17480	1.3
248.07628	7.1
249.05998	4.4
266.08636	4.2
273.22098	2.2
285.22110	29.5
301.21506	4.5
303.23154	3.5
313.20551	0.8
352.67813	0.8
403.94608	0.7
482.20038	0.9
568.20978	2.2
568.31183	4.3
569.29065	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	568.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
51.31127	0.2
51.34322	0.2
53.03936	0.3
55.05511	1.5
56.01368	0.9
57.07051	0.2
57.23055	0.2
58.06591	1.4
67.05506	1.6
68.05006	0.2
68.99794	0.3
69.06723	0.4
69.07062	4.6
69.17721	1.0
69.18136	0.3
70.06589	6.7
72.08149	5.8
74.02438	2.4
74.68078	0.2
76.07633	2.6
79.05499	0.2
80.04987	0.3
81.03381	0.3
81.07031	0.6
82.06548	0.3
83.04972	0.3
83.08582	0.7
84.04473	0.6
84.08134	1.9
85.02879	0.7
91.05477	0.4
93.07015	0.2
94.06544	0.5
95.04968	0.3
95.07343	1.1
95.08587	0.3
97.02902	0.2
97.08868	0.2
98.22681	0.4
100.07589	0.4
101.74055	0.2
102.05546	1.5
103.05455	0.5
105.03394	0.3
107.08562	0.2
108.08104	5.6
109.02787	0.3
109.10162	0.2
110.09672	17.5
112.11183	0.2
121.02849	0.4
122.09634	0.4
123.10437	2.9
124.11229	2.1
126.12761	0.3
131.04935	1.2
133.10074	0.4
138.01845	0.3
138.12798	0.2
147.04408	0.2
151.02779	0.3
151.03893	2.4
151.11246	0.2
152.04289	1.0
152.06947	0.2
153.01834	0.7
157.42824	0.2
166.01343	0.3
166.08592	0.2
167.02156	0.4
167.03380	0.4
169.13132	0.2
170.41951	0.2
171.06508	0.5
176.06963	0.2
180.02895	2.2
180.17453	100.0
181.17830	2.2
185.03175	0.2
196.71045	0.2
205.32220	0.2
208.16705	0.4
220.06024	3.4
222.07581	9.5
223.07784	0.2
226.18007	2.3
240.08658	0.9
241.05168	0.2
243.20668	0.7
255.06499	8.1
256.06845	7.8
256.11017	0.2
257.07181	0.4
271.08389	0.3
276.12326	0.3
284.09229	0.3
285.07407	0.9
286.07910	1.4
296.08411	0.2
297.25333	8.4
307.87909	0.2
323.67319	0.2
324.12363	1.0
326.13828	17.2
327.14200	0.6
332.90421	0.2
343.16568	0.5
377.19763	0.2
380.18539	1.4
387.19644	0.2
406.91559	0.2
411.79147	0.2
451.25916	9.8
452.26251	0.5
547.62347	0.2
568.33783	12.0
569.34009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05509	2.0
58.06596	30.6
65.03934	4.2
67.05500	0.7
69.03421	1.1
69.07070	2.1
69.13685	1.7
69.14098	0.8
70.06581	0.5
70.86137	0.3
73.02904	0.7
74.06045	0.3
79.05492	0.6
81.03397	1.1
81.07063	0.7
83.08601	1.1
84.08141	1.6
85.02905	1.8
86.81832	0.4
89.06024	0.6
91.05474	100.0
92.05799	0.9
95.08636	0.5
97.02893	1.0
98.23435	0.6
98.70422	0.4
105.07020	7.0
109.02897	1.0
109.10170	0.4
115.03897	0.4
116.07069	1.1
121.02869	0.6
127.03923	1.1
133.04984	0.5
133.06459	0.9
134.09660	0.4
135.10455	0.5
136.11182	0.4
210.22151	12.3
212.23724	7.0
218.10129	0.3
226.21687	0.5
228.23212	7.5
230.24750	3.2
270.24231	3.1
272.25793	0.4
298.00604	0.4
305.06296	0.9
319.07935	0.7
320.29547	0.8
348.28915	1.1
372.27393	0.8
390.28595	1.5
428.74619	0.4
431.17514	0.5
432.29736	0.7
449.17358	0.8
464.33545	1.4
482.34634	6.7
483.34836	0.4
524.35791	53.2
525.36237	2.8
536.20526	0.5
537.17633	0.5
551.19196	0.5
568.22333	2.4
568.34766	54.0
569.22803	1.7
569.35614	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05507	2.3
56.05011	0.4
57.03419	0.8
58.06599	27.9
61.02896	0.4
65.03941	4.6
67.05505	0.5
69.03417	1.3
69.07080	2.1
70.06599	0.4
73.02906	0.5
74.06069	0.9
79.05489	0.5
81.03407	1.2
81.07057	1.0
83.08614	0.8
84.08157	1.9
85.02914	2.3
87.04451	0.6
89.06027	0.5
91.05479	100.0
92.05813	1.0
95.04992	0.4
95.08614	0.5
97.02879	0.9
97.10183	0.5
105.07032	6.7
109.02861	0.5
109.10136	0.4
114.12817	0.4
116.07095	1.5
121.02887	0.4
124.03935	0.6
127.03933	0.9
133.06485	0.7
173.85944	0.3
210.22169	14.1
211.22514	0.3
212.23724	8.3
228.23215	7.2
230.24741	2.9
256.22766	0.5
270.24219	3.3
272.25888	0.4
278.12396	0.3
288.25385	0.6
305.06403	0.6
318.27811	0.6
320.29559	0.6
327.13608	0.4
339.13370	0.5
348.28842	1.7
367.12958	0.8
372.27509	0.9
390.28329	1.8
432.29745	0.7
449.17819	1.6
464.33789	1.7
482.34750	7.6
524.35809	46.8
525.36072	2.1
536.20465	0.8
551.19189	0.4
568.22296	2.7
568.34778	51.8
569.23511	2.8
569.35480	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51424	6.9
55.05495	17.8
57.07067	9.6
58.99366	7.1
67.05485	18.9
69.07051	21.1
79.05484	30.2
81.07058	37.1
87.96472	7.8
91.05468	49.3
93.07026	55.5
95.04952	43.2
95.08594	30.5
98.22621	15.2
105.04504	7.3
105.07030	100.0
107.08574	45.4
109.10131	21.2
117.07003	23.9
119.08580	95.9
120.09393	9.4
121.10123	29.2
123.08032	16.5
129.06998	20.2
130.07791	8.8
131.08543	48.4
133.10138	49.4
135.11703	15.2
142.07808	15.0
143.08539	54.2
144.09343	8.3
145.10110	92.5
147.11693	24.1
155.08517	20.2
156.09282	12.8
157.10132	60.9
158.10855	9.7
159.11684	48.0
167.08470	10.9
169.10126	29.0
171.11652	32.7
173.13266	21.9
175.14821	15.8
177.12730	9.4
179.08577	14.1
181.10075	12.9
182.10837	13.1
183.11678	23.7
185.13190	24.8
187.14763	15.1
195.11656	23.7
197.13216	23.8
199.14775	16.7
207.11479	10.5
209.13229	31.4
221.13293	12.0
223.14893	9.9
237.16270	8.7
323.23831	8.2
338.25900	17.4
431.76001	8.1
476.36359	16.8
568.42426	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	569.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85247	1.9
60.74416	1.8
69.15710	13.5
91.05473	7.0
92.01350	2.1
95.04968	2.4
103.05460	36.3
110.64581	1.7
131.04921	100.0
138.01840	3.1
140.59396	2.1
162.01842	2.3
174.01813	2.9
178.01341	4.7
180.02890	2.7
204.02898	6.2
230.00758	5.3
233.01929	21.6
234.00308	29.8
239.11905	1.7
248.01942	4.0
251.02875	9.0
252.01292	10.7
266.03110	3.8
268.62808	2.3
270.07510	6.0
271.08368	2.8
272.01877	8.7
273.01498	5.1
273.99988	3.0
276.01511	4.4
277.35815	2.1
282.00339	5.9
291.02621	2.5
292.00653	2.8
297.99893	14.9
300.01303	6.9
316.00854	4.2
318.02386	6.8
334.07169	4.5
337.08194	31.5
344.00101	2.6
351.09875	9.8
352.08099	3.4
358.06976	2.3
362.06195	2.7
376.08099	2.9
377.07422	9.2
386.07211	2.9
394.09271	2.7
402.05923	8.0
404.07532	12.6
422.08524	4.8
447.07492	2.3
490.12643	5.6
506.12451	9.2
508.13849	19.1
520.14197	3.7
534.11829	11.1
537.12531	2.1
551.14502	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	569.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01853	0.9
68.99788	1.1
69.92303	2.6
91.05479	7.9
91.87738	0.8
92.01352	3.3
95.04980	2.7
98.22829	1.1
103.05466	38.2
110.02399	0.9
129.07056	0.9
131.04922	100.0
132.05264	1.5
134.02344	2.0
138.01859	4.7
146.02422	1.6
150.01845	1.2
162.01886	2.2
166.01379	3.1
167.02077	2.1
167.16814	1.1
168.02850	1.0
174.01868	2.7
176.03401	1.5
178.01355	5.7
180.02916	3.0
180.17455	1.0
181.06546	1.6
184.02417	1.5
185.03210	1.3
192.02995	1.9
201.05516	1.0
202.01337	5.3
204.02965	5.9
208.02449	1.0
218.00818	1.5
220.02457	2.1
228.02969	1.9
230.00819	4.8
233.01915	30.6
234.00311	35.8
234.02608	1.8
243.01588	1.0
244.02443	1.8
247.03635	1.3
248.01991	6.6
251.02991	11.7
252.01370	10.9
256.02585	1.1
258.00446	2.0
260.06854	1.2
264.06445	2.0
266.02878	2.7
270.00336	1.7
270.07507	4.4
271.08353	3.0
272.01874	10.2
272.09238	0.9
273.01324	6.2
273.99887	2.6
276.01486	4.3
278.07864	1.7
282.00385	8.0
290.02866	1.5
291.02499	3.2
292.00806	2.9
297.99789	20.1
299.00589	2.3
300.01401	11.2
301.99338	3.5
306.07614	2.3
308.09009	0.9
312.01328	1.3
316.01004	5.5
318.02396	5.7
325.99350	2.2
334.06998	4.9
337.08176	31.6
338.08694	1.2
344.00281	3.8
351.09790	12.5
352.08273	3.3
360.08817	1.1
362.06467	4.5
374.06482	1.2
376.08258	2.6
377.07684	10.3
386.06546	4.7
394.09079	1.7
402.06244	8.4
403.06744	2.2
404.07639	16.5
416.07465	1.7
422.08435	4.7
430.05637	4.8
447.08170	1.7
465.09247	1.8
478.12210	1.1
490.12875	8.0
492.10678	2.0
506.12463	12.8
507.13086	4.1
508.13846	19.3
509.14352	1.5
520.14038	6.2
534.11749	14.2
551.14240	8.0
552.13391	1.1
570.17639	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04972	0.4
59.29277	0.4
59.43815	0.3
66.75626	0.3
67.05491	0.8
73.02906	0.8
87.04467	0.9
89.06019	0.9
93.07050	0.4
114.36348	0.3
115.64413	0.3
124.03963	0.6
132.08810	0.3
133.08611	0.7
137.29256	0.4
138.05499	2.5
158.46371	0.3
259.07925	0.5
319.07925	0.5
331.09995	0.9
407.24118	1.2
410.20029	0.4
454.70090	0.4
457.20285	2.3
471.21732	2.4
479.26196	0.9
487.21463	0.7
569.29248	100.0
570.29663	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	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88521	0.5
59.05003	0.9
64.78391	0.5
73.02921	1.0
73.23643	0.4
77.22698	0.4
87.04474	1.1
89.06018	1.1
93.81729	0.4
103.07535	0.6
121.16443	0.5
123.39128	0.5
124.03960	1.6
138.05463	3.4
155.02194	0.5
185.04301	0.5
407.24362	1.7
424.64093	0.6
457.20471	2.5
471.22058	1.9
479.26294	0.7
487.21600	1.0
569.29254	100.0
570.29608	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	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24541	0.3
67.05490	0.5
70.12633	0.7
73.02912	0.4
79.05473	0.4
81.07043	0.5
83.59470	0.3
87.04424	0.5
89.06020	1.5
93.07024	0.6
93.17764	0.3
95.08600	0.4
99.76157	0.3
101.06081	0.4
105.07012	0.8
109.10128	0.4
130.06435	0.4
133.08586	1.0
138.05492	0.8
185.04320	0.3
203.05254	0.5
256.96332	0.4
259.07846	0.9
283.15106	0.8
309.16678	0.4
331.09827	0.7
339.17682	0.7
407.23981	1.2
457.20270	2.3
471.21921	2.7
487.21445	0.7
569.29132	100.0
570.29565	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	569.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
53.16878	3.9
55.01853	6.5
55.05505	16.2
57.03426	5.3
57.07076	4.1
61.02914	4.8
67.05502	38.2
67.59247	3.9
68.33624	3.6
68.99780	6.3
69.03426	23.2
69.07046	20.1
70.06580	12.1
71.04986	5.6
79.05485	26.3
81.03419	26.3
81.07047	58.2
83.04976	7.3
83.08624	6.5
85.02901	45.1
85.06515	6.2
87.00822	18.4
89.68185	3.7
91.05466	22.2
93.07027	50.9
95.04974	7.9
95.08595	66.1
97.02879	21.9
97.06522	9.4
97.10175	4.7
99.04424	6.2
105.01851	9.9
105.07030	42.7
107.08583	41.2
109.02866	21.3
109.06503	4.0
109.10127	30.3
113.30737	3.6
117.06991	11.1
119.08564	45.4
121.02874	20.6
121.03972	4.6
121.10134	32.7
123.08085	4.4
123.10882	4.3
123.11656	23.3
125.09621	5.7
127.03897	39.6
129.06999	10.1
131.08565	29.5
133.10104	40.2
135.11697	20.4
137.09625	5.8
142.07733	6.7
143.08557	13.2
145.04967	8.6
145.10123	32.6
147.11661	30.0
149.13269	7.3
156.09334	6.7
157.04285	4.6
157.10118	22.5
159.02943	9.7
159.11621	27.4
161.13269	17.3
163.11177	5.8
163.14751	7.2
169.10129	10.8
171.11656	14.2
173.13286	26.2
175.14882	8.9
177.16368	5.1
181.10106	4.8
183.11685	15.7
185.13208	22.2
187.14806	24.8
189.12608	4.3
191.14372	7.9
197.13264	14.1
199.14871	16.1
201.16347	11.3
205.15831	5.0
211.14804	13.5
213.16368	8.8
215.18045	12.9
217.15897	12.3
225.16409	7.8
227.17886	10.9
229.15836	6.1
231.04971	11.3
231.17375	7.8
233.18941	9.8
255.21078	4.3
257.22589	8.7
267.21072	30.6
273.22046	6.7
285.22113	100.0
286.22110	4.9
303.23160	79.3
321.24228	29.2
405.02313	8.9
433.01874	6.6
569.07019	6.5
570.09570	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	570.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07341	0.4
55.01868	0.6
58.11663	0.5
65.03944	3.9
65.45164	0.4
67.01866	6.2
68.99789	3.8
69.03413	1.2
70.06587	2.9
71.33441	0.4
72.08155	0.7
74.30585	0.4
76.64597	0.4
78.51719	0.4
81.03418	1.5
81.07040	0.8
83.04962	0.6
85.02896	1.2
86.09699	1.5
91.05476	1.1
93.03423	0.5
93.07063	0.7
95.08624	0.8
97.02895	1.4
97.06522	0.9
100.07650	0.5
105.06998	0.9
107.04974	0.5
107.08554	0.6
109.02894	1.3
111.04443	4.3
114.05518	0.6
119.04947	1.0
121.02866	66.2
121.03949	5.5
122.03199	1.7
124.03947	1.3
125.02293	0.6
127.03941	1.0
127.25428	0.4
131.04916	0.6
137.05986	3.8
145.02840	2.0
147.04425	1.7
151.03821	0.6
153.01823	17.8
159.11676	0.4
167.07059	2.5
171.02872	5.6
171.04338	0.8
174.05496	0.8
175.03973	1.2
176.43907	0.5
181.08627	1.4
187.03896	1.1
198.05588	1.4
199.03943	1.3
201.04250	0.6
202.05032	3.1
203.03391	0.8
208.74001	0.5
209.88977	0.5
214.05003	3.2
215.03410	1.6
224.03447	0.7
226.04958	2.5
227.03319	2.2
229.03694	0.6
230.04539	1.5
240.03250	0.5
242.04420	3.3
243.03149	0.7
243.10928	0.6
244.06093	1.5
246.04179	0.5
252.02866	1.1
253.04881	1.1
254.04597	2.9
255.02882	3.0
256.06097	0.9
257.00742	0.6
257.03250	0.9
266.00983	0.9
270.03986	5.5
271.02243	0.8
272.05411	2.3
273.04068	0.9
280.02588	1.0
280.06082	1.1
281.04480	2.6
282.03967	2.6
283.02310	3.1
287.18546	0.7
288.05124	0.9
298.03519	8.5
298.06863	1.0
300.05020	3.5
301.03342	0.6
309.03903	1.3
310.04327	2.1
321.03897	0.6
324.05847	0.6
326.02887	2.9
337.03500	0.9
338.03882	1.7
353.02838	0.6
361.03583	0.6
361.16400	1.9
363.05048	0.5
373.07184	1.3
376.07935	0.9
382.06705	0.7
388.08209	2.3
389.08716	0.5
398.06577	1.0
403.06796	3.0
405.02451	5.0
406.02686	11.3
416.07642	3.9
417.07880	0.6
418.09210	42.7
419.07611	5.9
424.03772	0.8
434.02295	0.7
434.45297	0.5
444.07150	79.1
445.07507	3.2
450.01074	0.5
524.07031	1.6
552.06427	6.0
569.24280	0.9
570.10303	100.0
571.09229	12.0
571.20459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	4.8
70.65907	2.0
73.83092	1.3
91.05488	3.9
95.05020	1.5
96.78884	1.3
103.05467	31.6
105.03442	1.9
107.04936	1.9
110.02408	15.2
115.05463	3.0
121.06487	1.5
124.03951	3.5
129.06976	1.9
131.04926	100.0
132.05267	3.0
138.01892	2.4
143.04967	1.4
150.01851	1.7
152.03456	6.7
154.01395	5.2
157.06502	2.2
162.01868	2.0
163.03911	2.4
166.01373	5.0
167.02179	3.9
168.02921	1.9
169.01390	11.0
178.01363	29.1
183.04410	1.4
184.94518	1.3
185.05928	1.5
190.01346	1.9
192.02815	2.1
194.04562	7.0
196.02388	15.2
199.03865	2.6
202.01392	1.9
206.00848	7.9
208.02435	2.5
211.02347	3.9
211.04085	1.6
211.20468	1.4
213.00311	1.5
213.05453	2.0
218.00888	4.3
220.02380	12.4
222.00496	1.6
224.01901	1.9
225.05466	2.6
240.06544	1.9
241.04948	7.3
246.00414	2.2
248.01971	2.1
249.99733	2.6
253.04980	1.8
264.01401	2.8
264.06595	1.9
268.00891	9.3
269.55679	1.4
271.08401	2.6
272.01950	2.5
272.09000	2.0
273.99915	3.0
276.01358	2.8
282.07587	29.9
288.01300	2.9
292.00903	3.6
292.06088	2.6
298.10718	4.0
299.05301	1.9
300.01392	2.4
316.00885	18.9
324.08600	9.6
342.09827	2.0
344.00400	17.6
350.06540	4.4
354.06223	4.3
362.01422	4.4
366.09650	2.5
368.07516	2.0
376.08282	1.7
378.05789	2.6
394.09308	2.1
402.06256	2.4
404.07565	2.6
410.08737	2.3
412.11523	1.6
420.07095	20.2
422.08521	2.9
423.23233	1.6
448.06598	47.0
449.06808	2.1
450.08344	4.9
462.13162	1.8
466.07526	3.2
478.13107	2.5
498.15521	2.0
508.13812	3.2
510.12051	1.5
524.13293	14.8
526.14532	5.9
534.11890	8.3
552.12872	37.7
556.12262	1.9
570.14075	31.9
570.25342	6.8
571.13593	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	570.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03947	0.6
68.37816	0.2
68.99779	0.6
70.06599	1.2
70.14110	0.8
77.03929	0.8
81.03370	0.2
88.07621	1.0
91.05495	0.3
95.04971	3.7
102.04662	0.5
102.09142	0.7
103.05465	54.0
104.05805	0.9
105.03381	1.0
105.04520	1.4
124.31290	0.2
131.04922	100.0
131.18597	0.2
132.05246	1.8
140.73563	0.2
149.02348	0.6
149.05966	3.3
175.54286	0.3
178.01387	1.5
181.06445	0.3
193.04958	0.8
256.26300	3.0
268.00739	0.8
282.07455	0.7
297.07410	0.7
301.99142	0.6
304.00754	0.5
341.10187	3.5
354.05847	0.6
390.57861	0.3
406.05469	0.7
424.06375	0.3
440.09906	0.4
552.12573	0.5
570.13849	0.5
570.26154	0.3
570.34253	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	570.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01889	1.2
52.53645	1.1
61.86755	1.2
65.53191	1.1
68.51469	1.0
68.99781	6.6
70.06587	2.1
70.67796	1.0
71.42677	1.1
83.86806	1.0
88.07620	2.2
91.05471	2.2
92.01340	1.0
92.99791	2.1
95.04953	5.0
102.09155	2.3
103.05463	53.3
104.41892	1.0
105.03416	2.7
115.05463	1.3
131.04919	100.0
137.66504	1.1
138.01833	3.5
143.02684	0.9
148.00235	1.2
149.02219	1.4
149.05943	6.9
150.36302	1.0
166.01340	4.5
173.78255	1.2
175.99905	1.3
178.01338	33.8
184.02318	1.1
193.04970	1.6
206.00900	1.5
208.85239	1.2
220.02249	1.1
222.00351	3.2
225.05568	1.8
249.99818	4.7
256.26343	6.0
264.06564	1.3
268.00897	14.8
270.07657	5.0
282.07574	15.1
292.05722	1.5
297.07742	1.0
301.99243	16.4
314.03961	9.5
318.03839	1.9
320.00336	9.5
336.05066	1.3
341.10178	5.8
344.65363	1.2
348.04532	1.1
354.06052	9.6
406.00552	1.3
406.05606	22.1
414.13406	5.6
424.06549	7.7
438.08191	5.7
440.11349	2.7
466.07547	2.5
510.11389	2.2
529.05261	1.1
552.12537	2.3
570.13617	1.6
570.34222	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	570.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.9
55.01867	1.4
58.32432	0.6
68.99802	1.1
69.88012	2.1
75.57316	0.6
77.03913	0.8
77.88381	0.6
83.87023	0.7
84.62968	0.6
84.76322	0.6
85.02885	1.2
87.32852	0.6
91.05466	2.3
95.04968	1.6
103.05465	26.8
105.03414	1.2
115.05456	3.2
127.00578	0.7
131.04926	56.1
132.04416	1.0
132.05293	1.3
133.06491	0.8
135.32964	0.7
138.01926	0.9
143.04916	0.8
146.02365	0.9
147.04442	1.4
148.03928	0.9
160.03918	1.5
162.01895	1.4
164.03470	1.0
167.02129	0.9
171.04436	0.8
174.01866	3.2
175.03929	0.8
176.03462	1.2
178.01364	2.8
188.03413	1.9
189.05463	0.7
192.02899	6.6
194.04485	1.1
199.03908	0.9
200.03357	0.9
202.01335	2.0
202.04982	0.7
204.02985	2.0
206.04556	0.9
212.03476	1.0
216.02847	3.0
218.00912	1.6
218.04526	2.4
220.02393	3.1
228.02887	10.4
230.00798	0.8
234.03952	0.9
235.92944	0.7
239.07037	1.1
241.05011	1.1
242.00862	0.8
242.04614	0.7
244.02391	5.6
246.03972	2.8
248.01851	1.0
256.02417	2.9
272.01917	1.6
274.03497	0.9
278.08081	1.0
282.07675	2.4
284.01938	0.8
286.03485	3.5
288.01608	0.8
290.08112	1.3
302.03131	1.1
312.01389	9.5
318.07767	0.9
322.07117	1.1
322.10690	1.6
330.02414	5.5
332.05627	1.1
332.09164	4.7
334.10526	0.9
336.08658	1.3
348.03653	0.7
348.08548	1.8
350.10178	4.1
360.08505	0.8
373.05832	0.8
374.06494	2.1
376.08231	2.3
380.07455	1.0
384.75592	0.8
388.08160	2.1
390.09811	1.8
416.07666	26.6
417.07559	1.1
434.08722	9.0
478.12683	0.9
512.13672	0.9
512.37695	0.7
520.13892	100.0
521.14099	5.2
524.13708	0.9
538.15253	4.2
538.22308	0.7
552.16656	12.3
570.17645	34.2
571.17804	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	570.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38583	0.5
53.09414	0.5
55.01756	1.1
55.01988	0.8
57.48740	0.5
68.99675	0.9
69.95984	1.1
69.96352	1.0
70.57671	0.6
73.26070	0.6
78.30927	0.6
85.02715	1.7
85.03184	0.6
85.97685	0.6
91.05323	1.1
95.04834	0.8
103.05260	22.0
103.06033	3.7
104.04861	0.5
105.03241	1.2
105.04384	0.8
105.06892	0.9
107.04800	0.7
115.05228	3.8
117.57724	0.5
120.04326	1.1
121.06337	1.0
128.01289	0.6
129.03197	0.8
131.04697	51.5
132.04225	0.8
132.05116	0.8
133.06345	1.2
136.03807	1.1
143.04768	0.5
146.02179	1.4
148.03696	1.6
148.28525	0.6
155.08466	0.8
160.03807	0.8
162.01717	0.8
164.03209	1.1
165.06807	0.6
166.01202	1.3
167.01939	1.0
168.02676	1.3
169.01186	1.1
169.06253	0.6
171.04231	1.3
172.03638	1.1
173.05853	0.8
174.01855	3.1
176.03235	1.1
178.01337	3.4
179.03229	1.0
180.02725	0.7
188.03172	2.4
189.05223	0.8
192.02893	6.7
197.05862	1.0
200.03180	1.3
202.01332	3.0
204.02704	1.5
205.01138	1.1
208.02252	1.1
211.01344	0.5
215.03323	0.5
216.02884	3.7
218.00644	1.2
218.04485	3.6
220.02344	3.7
228.02878	10.6
230.00632	1.2
230.04277	0.8
236.06940	0.8
239.06897	0.9
240.02858	0.9
241.04887	1.2
242.00713	0.8
244.02426	5.0
246.04002	5.4
248.01753	1.0
250.08655	0.7
256.02164	2.5
257.07950	1.4
258.03751	1.2
267.06503	0.6
272.01666	0.9
274.03329	1.3
278.07864	0.9
282.07352	2.5
284.01541	0.8
286.00208	0.8
286.03284	4.0
288.01242	1.6
290.07968	1.6
296.08902	1.0
306.07401	0.8
309.07394	0.8
311.98050	0.6
312.01367	10.3
320.08957	0.7
322.10730	0.8
330.02426	8.3
332.05679	0.6
332.09152	5.3
336.08682	1.4
346.06934	0.7
348.03622	0.6
348.08716	1.0
350.10284	4.9
360.08667	1.8
362.10107	0.7
366.09787	0.7
372.08716	0.8
374.06302	2.3
376.08035	1.2
378.09525	0.7
388.07962	2.2
390.09396	2.4
398.06229	0.7
406.09106	0.9
416.07596	29.3
417.07834	1.2
434.08633	10.4
478.12723	2.5
501.07559	0.7
510.15042	0.7
512.13269	1.2
520.13873	100.0
521.14154	4.4
538.14813	5.0
552.16431	9.3
570.17554	64.6
571.17908	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	570.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38960	0.3
53.12482	0.4
55.01798	0.6
68.99705	0.8
69.00032	0.4
69.81729	1.0
75.35603	0.3
81.03299	0.3
85.02777	1.0
89.88258	0.3
91.05341	1.2
93.09648	0.4
95.04823	1.2
95.05353	0.3
103.05318	19.8
103.06080	1.7
104.05639	0.4
105.03243	1.2
105.04409	0.5
115.05293	3.2
117.06909	0.5
118.02767	0.5
120.04313	1.0
122.02240	0.4
124.03796	1.3
131.04912	40.1
131.05832	1.9
131.06290	1.3
132.04294	0.5
132.05130	1.0
133.06400	0.6
136.03783	0.9
140.03233	0.4
143.04767	0.7
144.04294	0.5
146.02200	1.3
148.03764	1.3
160.03751	1.4
162.01662	1.2
162.97684	0.3
164.03275	0.6
165.06879	0.5
166.01358	0.4
167.01941	0.6
168.02788	0.9
171.04265	0.9
172.03804	0.5
173.05907	0.4
174.01845	3.5
175.02434	0.4
176.03264	0.9
178.01355	2.3
179.03250	0.4
180.02760	0.9
184.03761	1.1
186.01762	0.4
188.03456	1.6
189.05327	0.9
190.01373	0.4
192.02901	6.3
193.03444	0.4
194.04402	0.6
199.03830	0.7
200.03308	1.3
202.01334	3.0
202.04816	0.4
204.02966	2.1
205.01207	0.4
208.02176	0.5
210.03831	0.3
212.03291	0.7
216.02917	4.4
217.03258	0.3
218.00708	0.7
218.04417	2.8
220.02394	2.9
222.08961	0.3
228.02892	10.0
229.03374	0.5
230.00742	0.9
230.04280	1.2
233.01776	0.5
234.00223	0.7
234.03821	0.5
236.06880	0.7
239.07007	0.8
240.02789	0.6
241.04936	0.5
242.00697	1.0
244.02356	5.1
246.03934	3.5
248.01712	1.0
250.08568	0.5
256.02420	2.1
257.08023	0.6
258.03882	0.6
260.01865	0.8
262.03317	0.7
262.08365	0.5
268.02356	0.7
272.01743	0.8
274.03192	1.0
278.07892	1.0
282.07458	1.8
284.01660	0.8
286.00156	0.5
286.03354	3.3
288.01309	0.4
290.08093	2.0
292.09506	0.5
297.99817	0.3
302.02774	0.3
306.07462	0.7
311.67862	0.4
312.01309	9.8
313.01620	0.4
318.07339	0.6
322.07190	0.7
322.10617	0.7
324.08606	0.4
330.02386	6.7
331.02731	0.4
332.09213	3.9
333.09558	0.7
336.08499	1.0
346.06805	0.7
348.04044	0.5
348.08569	0.9
350.06448	0.5
350.10202	3.0
360.08456	1.2
362.10217	0.5
370.07123	0.7
374.06622	2.4
376.07968	1.1
388.08328	2.0
390.09894	2.1
398.06363	0.6
406.09134	1.0
408.06729	0.6
416.07587	26.1
417.07819	1.3
434.03165	0.7
434.08664	9.6
435.08911	0.4
478.13025	2.2
492.14539	0.4
510.15820	0.5
512.13428	0.9
520.13849	100.0
521.14203	6.3
538.14899	3.3
552.16461	12.2
553.16931	0.9
570.17523	29.4
571.17645	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	570.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
55.97585	1.1
68.99802	2.2
89.74838	1.0
91.05511	1.6
95.04951	2.9
95.99280	1.1
103.05462	39.7
104.05789	1.4
107.04948	1.8
108.04487	3.1
110.02401	1.4
115.05474	2.0
115.21811	1.1
121.06491	2.1
131.04922	100.0
131.50963	1.2
132.05278	2.4
135.13562	1.0
136.03929	5.8
138.01917	1.2
138.44890	1.0
140.03391	2.7
144.33807	1.0
150.05539	2.0
154.04965	1.9
162.01836	2.1
164.03429	3.0
165.88181	1.1
166.01334	2.2
166.05009	1.2
167.04936	3.5
171.04292	1.3
171.07993	2.8
175.75476	1.2
178.01355	4.9
178.04973	2.6
180.02957	1.8
188.03476	1.5
192.02872	4.0
194.04503	1.7
195.07942	1.4
199.03960	2.5
202.04880	1.3
204.02895	2.7
208.02316	1.4
213.05481	2.1
218.04420	11.1
220.02396	1.8
227.07042	12.8
228.02914	2.9
230.04541	3.3
232.02419	4.6
233.23700	1.1
234.04138	1.5
236.03337	1.3
239.06992	5.5
241.04947	4.3
244.02489	1.9
246.03947	20.9
247.04221	1.0
248.01852	1.3
256.02347	2.8
264.05042	2.1
270.07587	2.2
272.05511	2.4
274.03534	3.5
282.07651	5.4
288.04840	1.3
297.09955	2.0
301.02017	1.5
308.09055	2.6
312.01361	4.2
322.10748	1.7
324.08655	1.2
330.02426	2.2
332.08969	2.5
334.10690	2.7
336.08658	10.7
338.10068	2.7
347.93344	1.1
350.10202	40.7
351.10425	1.7
354.32803	1.2
360.08725	4.4
362.10220	4.0
364.11685	1.2
376.07825	2.6
378.09708	7.1
388.08157	2.0
390.09741	4.3
404.11078	1.3
406.09360	7.1
408.10818	1.5
416.07547	5.2
420.10818	10.7
434.08740	9.9
464.14798	4.9
492.14355	4.7
496.17459	2.3
510.15503	4.9
520.14166	7.8
524.17200	1.5
538.14966	20.3
570.16028	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	570.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.4
51.02375	0.6
51.41738	0.2
51.59814	0.2
53.03938	0.3
55.01860	0.8
57.03437	1.4
61.02924	1.5
67.05498	0.3
69.03065	0.4
69.03428	6.8
69.08568	0.3
69.48213	1.0
71.04986	0.8
73.02909	0.8
78.03451	2.4
81.03415	3.2
82.52314	0.3
83.04982	0.5
85.02901	25.9
87.04480	0.6
91.03958	1.0
91.05482	0.3
95.04897	0.3
95.08590	0.3
96.04487	100.0
97.02888	7.4
97.04822	1.3
98.23450	0.6
99.04440	1.3
105.07001	0.3
107.04932	0.4
109.02877	8.4
111.04446	0.5
119.68957	0.3
123.04407	2.2
123.08014	0.3
127.03902	6.9
131.04933	0.7
131.65010	0.3
136.07581	1.2
145.04956	8.1
151.03981	0.3
151.07530	7.6
163.06018	1.0
246.11244	22.4
247.11542	0.5
270.90521	0.3
321.05832	0.3
362.06583	0.4
390.05896	0.4
393.93729	0.3
408.16492	8.8
409.16833	0.5
416.03998	0.4
552.09552	0.3
570.21948	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	570.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
75.92950	0.3
82.15055	0.4
85.02904	0.5
91.92252	0.4
93.15610	0.4
95.04974	0.6
97.02892	100.0
98.03211	0.5
103.05447	0.8
109.52211	0.3
110.15887	0.4
119.15366	0.4
121.02867	12.9
131.04909	2.3
133.02811	0.5
147.04416	1.5
151.03922	2.6
156.21924	0.4
187.03835	0.4
199.04019	0.4
206.16776	0.4
210.36887	0.4
217.04942	9.7
235.05989	7.0
239.54118	0.4
253.07094	4.3
353.03067	0.6
553.07629	0.4
571.08374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74042	0.6
62.20213	0.7
68.92287	0.7
69.03421	0.8
84.56057	0.7
97.02888	100.0
98.03228	1.3
126.01064	0.8
131.04909	1.6
132.68474	0.6
135.04454	0.9
151.02660	1.2
151.03902	22.3
151.04985	1.5
160.21078	0.7
160.28764	0.7
163.03819	1.8
181.04938	10.4
191.07030	0.7
193.60664	0.7
209.48872	0.7
216.10489	0.7
219.06522	1.5
229.07361	0.9
236.00739	0.8
247.06029	19.8
265.07062	14.2
266.07339	0.9
283.08069	3.9
354.89288	0.8
416.04095	1.0
534.08020	2.9
542.06836	0.8
552.09424	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	570.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01863	0.5
55.05509	0.6
57.03448	0.5
61.02916	0.7
62.33440	0.2
65.03938	0.4
67.05502	0.4
69.03423	3.2
69.07066	1.7
70.48855	0.4
71.04984	0.5
73.02913	1.4
78.12738	0.2
81.03416	2.9
81.07054	0.5
85.02903	11.6
86.09695	0.3
87.00829	4.8
91.03915	0.3
91.05473	0.7
92.05003	1.0
93.05772	0.3
94.06576	4.1
94.29024	0.2
95.01331	1.3
96.04481	0.6
97.02892	4.4
98.46305	0.2
99.04433	1.1
103.30786	0.2
105.01861	8.9
107.19135	0.2
109.02878	3.8
110.06041	2.5
111.11694	0.3
117.01869	0.3
121.02862	0.5
121.10134	0.2
124.03949	0.9
127.03909	8.3
129.01813	0.4
138.05496	100.0
139.05856	1.5
141.01823	2.1
145.04956	4.8
147.02847	0.3
159.02863	2.7
177.03831	0.2
177.05382	0.2
189.03917	0.4
213.03970	0.9
231.05019	4.6
249.06049	2.1
389.07193	0.3
419.07748	1.1
444.06735	0.4
445.05731	0.6
533.26721	0.2
570.23120	0.5
570.32190	0.6
571.08881	1.9
571.30237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66358	1.3
59.04997	4.5
65.03941	3.4
67.05512	2.6
68.81897	1.2
69.03414	2.9
70.06594	3.8
78.18787	1.3
79.05479	4.6
80.18943	1.3
81.03403	3.9
81.07053	3.8
82.06571	2.1
84.08153	1.5
85.02916	3.0
86.09699	3.8
87.04458	16.3
89.03883	1.9
89.06026	5.1
91.05478	4.8
93.07034	5.8
94.06560	6.9
95.04975	2.9
95.07339	4.6
95.08631	3.5
96.08111	11.1
97.02867	1.4
97.06531	1.5
105.07019	1.9
106.06522	1.4
107.08597	2.3
108.08113	9.2
110.06077	1.6
110.09678	13.3
112.99954	1.5
114.03809	1.5
116.04992	10.0
118.38554	1.6
119.08539	2.2
120.08117	13.3
121.02869	9.0
121.04005	1.2
121.06479	1.4
122.06016	7.2
124.07578	26.5
124.08434	2.2
126.67001	1.8
127.03898	4.1
133.08624	1.7
136.07567	12.1
138.05508	3.1
138.09123	16.7
139.01547	4.7
144.04439	17.6
147.04395	2.9
147.11713	1.5
148.07550	3.7
152.07002	7.1
153.01799	1.5
160.04005	1.9
161.13289	1.5
162.05460	6.9
163.03978	2.0
166.08635	24.7
172.03923	71.9
173.04379	1.6
177.10133	1.4
180.06560	1.5
182.08119	1.9
183.04153	1.6
183.11774	1.8
184.07373	2.6
190.04987	32.3
196.09796	1.5
204.06548	100.0
205.06812	2.0
212.09233	2.3
214.10722	5.1
221.07117	1.4
223.08588	1.8
224.09547	1.9
225.10353	1.3
236.09503	3.1
237.10178	4.6
241.09743	1.6
249.10231	2.3
251.08180	8.1
251.11774	2.9
252.08957	2.1
253.09735	3.3
254.10455	1.9
264.08997	6.7
265.09662	13.6
266.10498	3.0
267.11243	2.6
279.07639	13.3
279.11215	5.2
280.08459	5.1
281.09210	4.5
281.12704	2.1
282.10025	2.2
283.10547	1.6
285.22067	3.4
292.08408	5.7
293.09210	14.6
294.09915	6.0
295.10751	2.7
297.08932	2.9
297.12198	14.7
299.10202	2.9
303.23157	1.4
307.10785	4.3
309.12238	3.8
310.09482	2.8
311.10199	2.2
313.11749	1.7
320.07965	4.0
325.11768	68.0
325.15643	3.3
326.12296	2.7
327.13431	1.7
329.15134	2.2
335.10147	3.6
338.08810	11.6
341.11185	16.0
343.12878	12.5
353.11282	41.2
357.14407	9.1
369.35815	1.6
373.13873	17.2
385.13885	12.7
406.02713	1.6
462.20013	1.8
478.19916	2.1
488.18182	2.1
506.19174	41.5
507.19452	2.1
520.21307	1.8
538.21832	84.6
539.21906	5.2
552.19452	2.3
570.09528	1.8
570.20532	3.2
571.08911	2.2
571.22827	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	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02486	0.6
61.82727	0.7
69.03413	0.9
70.06585	0.7
85.02900	1.8
91.05472	1.0
115.05399	0.9
127.03904	0.7
128.06215	0.8
129.07001	6.4
131.04926	1.0
131.08554	5.5
137.05936	1.2
141.06992	5.7
145.06471	0.7
151.03972	1.0
157.06491	4.9
158.07285	1.9
159.08057	5.3
161.09608	0.7
163.07495	0.9
169.06499	1.9
170.07280	1.2
174.06770	11.5
175.07513	2.3
181.04871	1.2
186.06808	3.1
189.09091	21.3
191.10620	1.6
196.11652	0.6
201.09091	9.6
219.10149	100.0
220.10492	2.6
229.16893	0.7
263.12451	0.7
396.66193	0.7
424.20285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01866	1.1
67.85381	0.8
69.03442	2.6
69.05685	4.1
69.06094	1.9
71.04984	1.1
78.04684	0.9
79.05495	2.4
81.03411	1.0
85.02896	7.6
87.78517	0.8
89.35905	0.9
91.05481	4.6
93.07045	2.8
95.04967	3.0
97.02911	1.7
98.23424	1.7
103.05460	3.0
105.06979	4.0
107.04955	9.0
109.02948	1.1
109.06544	1.0
115.05496	0.9
117.07099	1.1
119.04950	1.5
121.06496	6.1
123.04439	2.1
127.03885	1.0
128.06229	1.4
129.07022	6.7
131.04900	4.2
131.08577	3.7
133.06482	2.0
135.08070	2.4
137.05942	6.0
140.04739	0.9
145.04965	0.7
145.06535	2.1
147.04402	1.4
148.05055	0.9
149.05991	2.6
151.03900	2.4
151.07500	6.2
152.04669	1.4
153.05443	4.1
157.06453	6.2
161.05986	10.7
161.09605	4.4
161.13269	0.8
163.07544	5.6
165.07062	0.9
165.09125	3.6
166.06335	2.3
167.07037	27.9
167.08446	1.3
168.07393	0.9
174.06775	3.5
175.07570	3.4
177.09050	4.9
179.07039	1.9
181.04993	1.4
181.06961	1.5
181.08585	30.6
182.08940	0.8
189.09087	23.9
191.07025	1.6
191.10675	0.8
193.08679	2.4
195.08066	3.7
197.09648	2.7
203.10698	1.0
207.08281	1.3
207.10083	5.8
208.08810	1.4
210.06839	0.9
211.07510	1.3
219.08101	2.5
219.10158	1.6
221.05975	2.6
223.07571	2.2
223.11253	1.2
225.09039	5.3
227.06953	1.4
227.10503	1.0
229.12164	1.4
233.09749	1.1
235.07599	1.4
236.08263	2.1
237.09016	1.0
239.07149	1.3
239.10666	1.2
240.07765	1.3
241.08492	1.2
247.07593	1.1
251.07066	2.5
251.10736	2.4
253.08539	3.7
255.06560	1.4
255.10168	1.1
257.11649	5.0
265.08688	1.7
267.09985	1.3
268.07361	1.6
270.08893	1.3
279.10208	2.3
283.09631	4.7
283.13309	2.9
285.08017	0.9
285.11191	10.6
297.11154	1.9
299.09198	1.1
300.09720	1.0
302.11435	2.3
311.12708	2.2
315.12213	6.3
317.13840	8.5
329.13834	3.0
331.15268	1.5
343.15387	13.9
361.16425	100.0
362.16904	3.8
373.16415	2.8
444.09579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.8
69.03442	2.6
79.05473	2.1
85.02881	6.3
91.05470	5.3
93.07042	2.8
95.04958	2.1
97.90285	1.5
103.05453	4.5
105.07040	2.7
107.04936	5.1
115.05406	1.9
121.06452	3.9
123.04408	2.3
124.01672	1.9
127.03945	2.4
128.06233	3.2
129.06990	12.1
131.04897	5.9
131.08589	10.0
137.05988	4.4
141.06978	6.4
145.04976	2.1
149.05943	2.2
151.03894	2.2
151.07520	4.2
157.06491	13.5
158.07233	4.2
159.08037	6.0
161.06012	9.0
161.09598	2.0
163.07503	3.4
167.07040	19.2
169.06465	4.3
174.06761	14.8
175.07542	6.8
177.09119	3.1
179.08658	2.4
180.36882	1.4
181.08600	21.3
186.06766	3.6
189.09113	41.6
191.10622	3.7
197.09511	2.1
201.09065	9.1
207.10132	4.4
214.08302	1.8
219.10147	100.0
225.08977	4.5
253.08778	2.0
257.11551	2.5
283.09576	3.0
285.11215	4.0
311.12714	2.0
315.12256	3.6
317.13864	6.4
343.15552	13.0
361.16428	52.1
519.00323	1.9
560.52875	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	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09407	0.9
57.00373	1.0
58.56461	0.9
69.03435	1.4
69.12602	4.8
69.13016	1.8
78.04713	1.3
79.05479	1.9
81.03417	2.0
85.02885	5.3
91.05500	4.7
93.07054	3.5
95.04965	1.6
97.02860	1.6
103.05469	2.8
105.07047	2.5
107.04986	5.8
109.06512	1.1
117.06992	1.4
119.04927	1.8
119.08557	1.2
121.06509	4.8
127.03920	2.3
129.07002	5.1
131.04944	3.1
131.08556	3.1
135.08067	2.4
137.05981	4.0
145.93980	0.8
149.05984	1.4
151.03908	3.7
151.07553	3.4
153.05475	3.3
157.06514	5.9
161.05977	10.2
161.09654	3.6
163.03934	1.1
163.07497	6.4
165.06911	1.3
165.09152	2.4
166.06239	2.3
167.07043	21.6
167.08405	1.8
174.06746	2.6
175.07573	3.0
177.09128	3.8
179.07079	1.0
179.47154	0.9
181.05055	1.2
181.08594	23.8
189.09109	17.9
191.06984	1.5
191.08684	1.1
193.06425	0.9
195.08047	2.2
197.09631	1.7
198.74144	0.9
207.10191	5.5
208.08989	0.9
210.06674	1.3
219.08194	1.8
221.05869	1.3
222.06726	1.0
223.07495	2.9
223.11166	1.4
225.09074	3.9
227.06972	1.2
233.09808	1.0
236.08269	1.5
241.08598	1.1
242.09268	1.0
247.07721	1.3
251.07043	1.1
251.10635	2.3
253.08591	4.0
255.06569	1.3
255.10124	2.0
257.11832	4.8
264.07690	1.2
268.07150	1.1
271.13196	1.1
279.10132	1.8
280.02335	0.9
283.09668	3.4
283.13284	3.1
285.11209	6.6
296.10507	1.3
297.11230	1.3
299.12726	1.1
302.11594	1.7
311.12674	2.1
315.12241	5.2
317.13837	7.5
329.13919	1.5
331.15366	1.7
343.15402	11.2
361.16431	100.0
362.16705	2.8
373.16431	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	570.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.05501	0.3
62.41649	0.1
67.05492	0.4
69.07037	0.2
69.85050	0.4
78.03438	0.7
79.04195	0.2
79.05471	0.4
80.05005	4.7
81.07033	0.9
83.04961	0.4
83.08585	0.1
87.04433	0.3
89.06005	0.5
91.05470	0.6
93.07023	0.4
95.04948	0.5
95.08587	0.5
96.04478	3.5
98.23412	0.2
105.07005	1.5
106.02894	0.3
107.08588	0.5
108.97083	0.1
109.06459	0.2
109.10126	0.3
117.06970	0.3
119.08567	0.8
121.10131	0.2
124.03932	100.0
125.04301	0.7
129.06972	0.2
131.08548	0.5
133.08562	0.2
133.10127	0.4
135.11613	0.2
140.03412	0.4
143.08591	0.3
145.10098	0.6
149.09628	0.1
157.10107	0.3
159.11671	0.3
169.10091	0.2
171.11629	0.3
173.13251	0.3
181.10002	0.1
183.11565	0.2
185.13254	0.3
187.14740	0.4
199.14757	0.3
211.14708	0.3
215.10814	0.1
251.17651	0.1
295.16858	0.2
313.17792	0.6
331.19092	0.2
448.46893	0.1
454.22302	0.4
462.29575	0.2
552.25183	0.1
570.26697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01907	0.1
52.09477	0.1
53.03945	0.3
53.35137	0.1
55.05499	0.1
67.05495	0.3
68.05014	0.1
69.98443	0.3
78.03458	0.8
79.04234	0.2
80.05012	4.6
81.07056	0.2
91.05439	0.2
95.08614	0.2
96.04483	4.1
97.02862	0.2
105.07019	0.3
106.02890	0.4
107.08574	0.1
109.10177	0.1
113.06086	0.1
119.08559	0.4
123.08056	0.1
124.03941	100.0
125.04270	1.2
131.08566	0.2
133.10185	0.1
140.03406	0.2
141.05440	0.3
145.10110	0.2
155.07021	0.2
157.10094	0.2
159.11661	0.2
169.10075	0.1
171.11618	0.2
173.13213	0.2
183.11714	0.2
185.13277	0.2
195.11629	0.1
197.13199	0.3
207.11736	0.1
211.14777	0.1
220.12509	0.2
225.16411	0.1
230.54184	0.1
235.14810	0.4
255.13594	0.1
295.16895	0.2
303.20120	0.1
313.17932	1.1
570.26788	0.7
576.73798	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	570.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01856	0.1
53.03934	0.3
55.05517	0.1
65.03947	0.1
67.05512	0.8
68.05007	0.1
69.07061	0.2
71.04999	0.2
78.03439	0.7
78.40531	0.1
79.04223	0.3
79.05476	0.1
80.05010	4.4
81.07043	0.6
83.85082	0.2
91.05477	0.5
93.07018	0.4
95.04961	0.3
95.08548	0.3
96.04491	3.1
97.02890	0.6
101.87690	0.1
105.07024	0.5
106.02893	0.3
107.08581	0.2
109.06525	0.2
113.05994	0.2
117.06970	0.2
119.08579	1.5
124.03942	100.0
125.04282	0.8
131.08542	0.3
133.10152	0.3
140.03404	0.2
141.05440	0.4
143.08574	0.3
145.10133	0.4
147.11627	0.3
149.09586	0.1
155.06995	0.7
156.09277	0.2
157.10117	0.6
159.11685	0.4
167.08495	0.2
169.10133	0.4
171.11676	0.4
173.09642	0.1
173.13228	0.6
182.10931	0.1
183.11693	0.4
184.12538	0.2
185.13228	0.3
193.10181	0.2
194.10861	0.1
195.11694	0.4
197.13239	0.9
201.12685	0.3
207.11710	0.2
209.13229	0.1
211.14842	0.3
220.12479	0.8
221.13203	0.2
223.14674	0.2
225.16374	0.2
235.14828	1.0
249.16402	0.3
253.15781	0.2
255.08034	0.1
267.17319	0.1
277.15680	0.2
295.16946	0.4
301.37387	0.1
313.17920	2.5
454.22122	0.3
514.24506	0.9
570.26324	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	570.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03640	0.1
51.02367	0.2
52.25537	0.1
53.03938	0.3
56.90769	0.1
57.52251	0.1
60.46060	0.2
70.38393	0.3
73.02921	0.2
78.03443	0.3
80.05011	3.8
80.92860	0.2
81.07021	0.2
87.04467	0.3
89.06033	0.5
96.04489	2.9
119.08640	0.2
119.26045	0.2
121.02842	0.1
124.03944	100.0
125.04308	0.9
133.08537	0.2
138.05501	0.4
140.03409	0.2
177.11269	0.1
237.14632	0.2
240.19167	0.2
276.90936	0.1
313.18002	0.2
341.53775	0.2
365.48419	0.2
394.14191	0.2
442.31955	0.2
570.27075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01882	0.1
53.03939	0.3
56.10273	0.1
68.05008	0.2
77.00923	0.1
78.03450	0.4
79.04202	0.2
80.05016	4.4
96.03868	0.2
96.04489	3.5
124.03947	100.0
125.04308	0.8
140.03358	0.2
196.78973	0.1
290.51712	0.1
506.83130	0.1
511.86319	0.1
570.26239	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	570.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88722	1.8
55.05489	4.5
57.07058	3.7
62.46188	2.2
67.05502	4.5
69.03419	2.3
69.07046	2.7
69.51384	1.8
70.06577	6.8
71.04963	1.9
73.53628	1.9
79.05475	10.5
80.05028	3.5
81.03413	3.6
81.07045	8.8
87.04456	6.3
88.07621	6.6
89.06032	15.6
91.05466	12.3
93.07008	9.7
95.04962	28.1
95.08575	6.6
96.04469	2.2
97.02860	3.2
97.06507	3.1
98.22637	6.3
102.09167	4.2
103.05443	4.3
105.03383	24.9
105.07018	72.9
106.07362	6.1
107.04952	2.1
107.08578	4.6
109.06503	5.2
111.08074	2.0
113.00009	9.9
114.03775	5.1
117.06985	7.0
119.08569	19.9
121.06497	9.6
124.03943	100.0
125.04224	2.5
125.05937	2.7
125.53896	1.9
127.01566	3.3
128.06212	3.8
128.89517	2.2
129.07021	4.9
130.07727	4.1
131.08565	13.8
133.08563	4.9
133.10107	5.0
135.08017	3.3
136.05077	2.9
139.01552	24.6
142.07755	2.1
143.08536	6.8
145.06602	2.5
145.10117	30.8
147.08034	10.4
149.05963	29.4
149.09599	11.6
153.05434	8.0
155.08490	7.0
156.09344	5.0
157.10106	17.2
159.08098	3.1
159.11684	13.1
165.05499	3.3
167.08508	4.6
169.10123	9.3
170.10844	4.0
171.11658	7.4
173.09622	11.2
173.13237	5.2
177.11276	2.9
179.07053	3.9
179.08537	9.5
180.07765	2.5
180.09230	4.7
181.08545	8.6
181.10094	12.1
182.10789	5.0
183.04164	4.7
183.11670	6.1
184.12439	2.3
185.09654	3.6
185.13184	3.1
187.11157	8.4
192.09393	3.6
193.04901	5.0
193.10110	15.4
194.10857	8.6
195.11668	8.0
196.12387	2.8
197.13258	9.4
207.11703	13.2
208.12527	9.8
209.09567	2.2
209.13217	25.4
211.14801	2.8
213.12747	3.4
215.10704	4.1
217.08444	2.2
219.11641	3.1
221.13188	4.8
223.11229	2.8
223.14798	28.5
225.12730	5.0
232.12564	2.4
233.13190	6.3
234.13904	2.1
235.11177	2.8
235.14807	2.3
236.12022	3.0
247.14809	5.7
251.14302	20.2
253.12227	4.7
255.10016	2.5
256.26346	19.0
265.15793	6.7
267.13550	2.7
269.15298	12.1
283.16879	5.1
291.19479	2.6
293.15347	6.1
311.16367	75.2
329.17459	25.1
341.10159	18.2
348.16776	2.2
358.17917	2.0
389.19434	2.8
433.19656	2.7
490.37790	2.1
496.26938	2.1
570.26672	6.6
570.34363	35.5
571.27954	2.8
571.35925	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	570.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01868	0.3
55.05520	0.2
57.03430	0.2
61.02926	0.3
65.00848	0.1
65.03929	0.3
67.05492	0.3
68.99773	0.3
69.03426	1.7
69.07066	1.1
71.05003	0.2
73.02908	0.5
81.03414	1.3
85.02901	5.7
85.03413	0.3
86.09730	0.2
87.00829	2.4
91.03919	0.2
91.05479	0.3
92.05000	1.0
93.05782	0.3
94.06562	3.3
95.01310	0.6
95.26218	0.1
96.04478	0.5
97.02885	2.3
98.22689	0.3
99.04462	0.7
105.01863	3.6
109.02880	1.6
109.73181	0.1
110.06037	2.6
111.11696	0.2
113.02280	0.2
121.02851	0.6
127.03909	3.9
138.05493	100.0
139.05846	1.0
141.01855	1.1
145.04951	2.1
147.02835	0.2
153.01813	0.4
154.04912	0.2
159.02867	0.9
189.03970	0.2
213.03932	0.4
231.05013	1.9
249.06013	1.1
301.03391	0.2
373.07245	0.2
389.06796	0.2
419.07608	1.0
442.23141	0.2
445.05722	0.8
450.18338	0.3
456.01990	0.2
526.36835	0.2
570.23859	0.6
571.08838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44657	0.1
51.02386	0.1
52.01907	0.1
53.03945	0.3
54.40718	0.1
55.05492	0.2
65.03944	0.1
67.05500	0.2
68.05018	0.2
69.03442	0.1
69.51605	0.3
78.03445	0.8
79.04214	0.2
79.05488	0.2
80.05015	5.2
81.07065	0.5
82.18706	0.1
83.04996	0.2
90.95796	0.1
91.05472	0.5
93.07034	0.4
95.04959	0.3
95.08600	0.3
96.04489	3.9
97.02921	0.1
99.36585	0.1
105.07027	0.7
106.02905	0.8
107.08595	0.4
108.04481	0.2
109.10166	0.2
117.06972	0.2
119.08592	0.7
121.10127	0.2
123.08057	0.1
124.03947	100.0
125.04269	0.8
129.07008	0.2
131.08575	0.3
133.10112	0.4
135.08084	0.1
135.11711	0.1
140.03378	0.2
142.07770	0.1
143.08566	0.2
145.10104	0.4
147.11694	0.3
149.09578	0.1
155.08493	0.1
156.09329	0.2
157.10133	0.6
159.11676	0.4
161.09656	0.2
167.08575	0.1
169.10126	0.3
170.10880	0.1
171.11617	0.4
173.09576	0.2
173.13200	0.2
175.11107	0.1
181.10121	0.2
183.11636	0.2
185.13245	0.3
187.11150	0.1
187.14841	0.4
193.10210	0.1
195.11635	0.1
197.13286	0.2
199.14818	0.2
207.11719	0.3
209.13310	0.2
211.11221	0.1
211.14714	0.6
213.12683	0.1
213.16364	0.1
215.14337	0.7
221.11470	0.1
221.13364	0.1
225.16403	0.2
229.16118	0.1
235.14963	0.4
249.16357	0.3
253.12210	0.3
253.15891	0.2
255.13763	0.1
257.11621	0.1
267.17596	0.2
269.15314	0.1
285.14786	0.1
285.18542	0.2
289.17850	0.2
295.16983	0.7
313.17957	2.2
331.19040	0.3
361.16553	0.2
436.21194	2.1
454.22186	0.2
570.26953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01868	2.6
55.05497	2.9
57.03434	1.5
59.54046	1.2
60.48953	1.2
61.02919	1.8
67.05492	5.9
69.03417	4.1
69.07056	3.8
69.52506	5.9
73.02895	1.8
75.93784	1.3
79.05488	9.7
81.03406	2.3
81.07052	10.5
83.08623	1.8
85.02890	17.8
85.06544	1.7
89.06039	2.7
91.05482	17.4
93.07043	18.6
95.04954	5.1
95.08597	14.2
97.02881	6.7
97.06509	2.4
98.22776	2.9
105.07010	18.9
107.04973	1.6
107.08576	25.7
109.06507	58.7
109.10138	6.8
111.04402	3.4
113.29586	1.3
117.06976	6.8
119.04911	2.8
119.08568	33.5
121.06505	2.6
121.10129	12.4
123.08048	5.9
125.05976	2.2
127.03944	3.3
128.06203	2.5
129.06998	4.2
131.08537	10.3
133.06531	2.4
133.08553	1.3
133.10117	10.2
135.08064	4.0
135.11673	2.4
137.05931	4.2
137.09576	2.2
138.05513	3.6
139.07541	1.4
141.07014	2.7
142.07767	4.9
143.08559	11.8
145.04926	1.6
145.10106	15.1
147.08029	3.2
147.11674	7.7
149.09573	8.4
151.07497	2.8
155.08527	4.7
156.09317	4.1
157.10110	12.1
158.10878	3.5
159.08070	2.9
159.11703	12.9
161.09637	6.7
161.13249	3.7
162.10391	1.8
163.07509	3.2
163.11201	4.8
165.09096	2.7
167.07094	1.3
167.08522	1.8
169.10120	8.5
170.10762	2.1
171.11649	9.0
173.09544	3.2
173.13255	4.3
175.07613	1.7
175.11180	4.1
175.14795	3.1
176.11839	3.2
177.09087	3.5
177.12691	2.7
179.08528	2.8
181.10130	3.0
183.08005	2.1
183.11627	7.5
185.09642	3.3
185.13301	4.4
187.11096	2.1
187.14807	3.2
189.09106	5.6
191.10689	2.0
193.10114	3.3
194.11017	1.8
195.11658	5.4
196.12529	2.1
197.09546	1.9
197.13263	7.3
198.14017	1.6
199.14764	2.5
201.09084	4.1
201.16409	6.5
203.10643	3.1
203.14258	2.8
207.11769	2.6
209.13242	5.8
211.11195	2.9
211.14772	6.4
213.09084	1.6
213.12723	1.7
215.10657	3.2
217.12102	1.4
220.12418	2.2
221.13211	1.8
225.12726	2.8
225.16365	3.9
229.12291	3.3
229.15738	1.4
234.13860	1.7
235.14804	2.0
237.12787	1.7
239.10634	2.2
239.17885	2.0
241.12245	5.7
243.13777	1.7
249.16341	3.4
251.17911	2.7
253.12273	2.7
253.15944	3.4
255.13799	3.5
257.15329	6.2
267.13885	1.7
267.17422	6.1
269.15158	1.7
271.16806	11.2
277.15808	4.1
285.18503	6.9
295.16876	29.8
313.17947	71.2
314.18146	2.0
331.18936	20.9
373.20044	12.4
391.21118	100.0
392.21390	3.6
425.04639	1.6
570.29523	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	570.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
55.05511	9.8
57.03425	2.8
57.07044	3.7
60.83923	3.1
65.48731	2.6
67.05493	40.5
68.99763	3.0
69.03425	9.2
69.07071	15.3
69.80424	3.2
69.80755	7.5
69.92165	2.7
71.04983	13.0
74.21071	2.7
79.05493	13.3
79.36172	2.8
81.03408	7.8
81.07050	62.7
83.08598	13.1
85.02890	21.9
85.06551	4.7
87.00821	8.1
89.06023	11.8
91.05481	12.5
92.57756	2.6
93.07032	19.4
95.08600	63.3
97.02885	8.0
97.06522	3.7
97.10176	7.3
98.23386	5.2
105.01862	4.2
105.07034	9.2
107.08600	21.6
109.02863	6.6
109.10150	36.5
111.11764	3.3
119.08586	10.4
121.02868	5.4
121.10130	24.5
123.11707	16.2
127.03914	10.7
131.08546	4.7
133.08621	7.4
133.10112	22.1
135.11664	19.4
137.09595	8.2
137.13268	4.7
141.01877	3.0
145.10141	9.7
147.11684	5.4
149.09642	3.9
149.13272	9.6
151.11180	6.1
159.11714	5.4
173.13261	4.1
189.16325	3.6
191.17929	23.5
209.18948	18.5
215.03276	2.7
215.17879	20.9
225.22108	6.2
233.19026	12.4
251.20001	32.1
269.21103	53.8
270.21069	3.0
287.22134	100.0
288.05713	3.7
305.23175	12.5
305.82196	3.3
555.07977	3.5
570.31433	4.2
571.08148	3.2
595.51648	3.7
595.76990	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
55.05508	10.6
57.03430	2.8
57.07074	3.6
65.03942	4.0
67.05499	31.7
69.03423	9.9
69.07064	11.5
71.04983	7.8
71.41343	3.1
73.02876	3.6
79.05492	12.1
80.13171	2.4
81.03392	7.9
81.07050	45.1
83.08609	9.1
85.02901	17.1
85.06541	3.8
87.00829	7.8
87.04462	4.2
89.06031	21.8
91.05479	9.9
93.07046	21.9
95.08598	64.5
95.09212	3.6
97.02903	17.3
97.10136	8.3
99.04502	2.8
105.01852	5.0
105.07024	4.8
107.08589	18.5
109.02838	8.4
109.06516	3.2
109.10157	32.3
111.11710	3.1
112.70370	2.6
117.07043	3.9
119.08615	9.4
121.02842	6.5
121.10130	18.4
123.11700	15.9
125.09634	3.2
127.03919	12.0
131.08565	8.0
133.08595	13.8
133.10126	20.7
135.11681	20.2
137.02316	2.7
137.13216	3.3
145.05003	3.6
145.10088	6.7
149.13255	6.8
151.11163	4.5
159.11629	4.0
162.31201	2.7
169.12154	2.9
173.13176	3.3
177.11287	5.7
177.12724	4.7
190.27786	2.5
191.17946	21.8
209.18942	15.0
215.17950	18.7
225.22092	6.6
233.19017	17.1
251.20078	30.5
269.21097	47.8
287.22171	100.0
288.22348	5.0
305.23196	16.4
411.06079	2.8
419.07553	3.6
571.08844	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	570.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	2.5
69.71186	0.7
69.71532	1.3
71.08651	2.8
71.96262	0.5
77.03924	0.8
79.05488	5.7
79.17642	0.4
80.03661	0.4
83.08602	0.4
85.10194	1.1
87.04458	1.0
89.06037	5.7
91.05473	0.8
95.04950	3.2
103.03951	7.9
103.05479	4.7
105.07027	100.0
106.07362	1.2
121.06495	1.2
121.10155	0.5
131.04941	2.3
131.08536	0.4
133.06519	2.3
133.08603	3.6
135.08069	1.4
139.73471	0.5
147.08098	1.3
149.06013	0.6
149.09601	3.3
161.72885	0.4
177.09106	4.4
177.11299	1.6
191.10687	0.8
195.10182	0.9
209.13252	2.0
221.13875	0.5
223.09521	0.6
241.10704	28.2
242.11043	0.5
251.14224	1.4
271.18259	0.5
329.19061	0.8
345.17001	3.1
366.65097	0.4
371.22775	0.7
401.76852	0.4
436.54337	0.4
505.70224	0.5
553.42816	0.6
569.56976	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	570.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
55.05507	1.8
57.07068	0.4
59.04982	0.9
67.05491	1.7
69.03410	1.4
69.07050	1.0
78.03438	1.0
79.05494	2.0
80.05015	4.0
81.03415	1.0
81.07056	3.8
83.04972	4.7
83.08615	0.4
85.06546	0.8
87.04502	0.4
91.05476	1.8
93.07019	2.6
95.04958	2.2
95.08595	1.2
96.04486	3.6
97.02894	2.8
97.06580	0.4
101.02364	1.7
103.43838	0.4
105.07011	3.2
107.08622	2.4
109.06532	1.3
109.10142	0.5
111.04453	2.5
111.08074	0.7
115.03876	0.6
115.05399	0.5
117.07022	1.1
119.08577	7.5
121.10129	0.7
123.08026	0.6
124.03947	100.0
125.04257	1.5
125.05953	0.7
127.07507	0.7
128.06242	0.5
129.07024	1.5
130.07727	0.5
131.08531	2.3
133.06487	0.5
133.10121	4.2
135.08072	1.1
137.05972	1.2
139.03905	0.5
139.07469	0.5
141.05438	0.8
142.07764	1.2
143.07016	2.4
143.08554	2.3
145.10138	2.5
147.11656	0.9
155.07118	2.9
155.08536	2.5
156.09346	1.7
157.10143	4.0
158.10915	0.7
159.08156	0.6
159.11708	4.2
161.08096	1.9
161.09531	1.0
165.07007	0.5
167.08592	1.4
168.09277	0.6
169.08641	1.1
169.10132	4.8
170.10904	3.3
171.06540	0.4
171.07947	0.6
171.11656	4.7
173.09517	0.9
173.13263	3.2
175.11241	0.6
179.08563	1.4
180.09303	0.5
181.10095	1.9
182.10960	1.1
183.11702	3.7
184.12547	0.7
185.09644	0.7
185.13252	3.9
186.10378	1.1
187.09619	1.5
187.11171	0.9
187.14755	0.9
191.14296	2.6
192.09303	0.5
193.10085	2.5
194.10916	1.4
195.11652	4.1
196.12473	1.3
197.09578	0.7
197.13252	8.7
199.14799	0.8
201.12723	4.8
203.14311	0.7
205.10143	1.4
207.11717	2.6
208.12389	0.6
209.13223	4.4
210.13896	1.2
211.11241	1.1
211.14790	4.7
213.16336	0.6
215.10779	0.5
215.14272	0.8
219.11661	0.9
220.08446	0.4
220.12424	3.8
221.13220	1.3
223.14859	1.9
225.12782	1.0
225.16357	2.8
229.15945	0.7
234.14073	2.0
235.14807	9.1
237.12602	0.6
237.16446	0.6
239.17967	1.1
249.16385	3.3
251.14407	0.9
253.15866	4.7
257.15338	0.7
267.17380	1.6
269.15350	1.1
271.16953	1.7
277.15894	1.6
285.18472	1.8
295.16943	4.4
299.20145	0.7
303.19611	1.3
309.18414	2.6
313.17926	8.7
327.19498	7.1
328.19739	0.5
331.19061	1.5
345.20596	14.1
346.20947	0.5
363.21667	7.1
387.21808	0.6
405.22723	0.9
570.26471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.5
53.03926	0.6
54.49617	0.4
55.14136	0.4
57.07035	0.4
59.04997	12.0
61.65118	0.4
62.84472	0.4
65.95055	0.4
69.07059	0.5
69.08920	0.9
69.09326	1.8
71.26366	0.4
77.03912	0.8
78.43398	0.4
79.05480	4.7
80.62021	0.4
81.07035	0.5
83.08691	0.4
87.04431	0.4
89.06018	2.8
91.05480	0.7
93.07040	1.7
95.04965	2.6
103.05464	3.3
103.07582	10.5
105.04527	1.5
105.07021	100.0
106.07350	1.4
119.08575	0.5
121.06484	7.1
122.70446	0.4
129.06993	0.6
131.08556	0.6
133.08591	2.1
147.10132	2.6
165.09073	3.2
177.11183	0.9
182.95615	0.4
209.11607	0.6
209.13289	1.9
210.30225	0.4
210.32187	0.4
241.14326	47.6
242.14722	1.0
251.14331	1.3
286.82285	0.4
302.54059	0.4
327.17294	1.1
329.18954	1.0
338.57315	0.5
345.20596	11.5
345.24655	0.8
371.22787	0.9
447.25208	0.7
449.26877	0.6
569.56836	1.2
570.35297	3.4
570.43127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.8
56.52332	1.5
57.07075	36.2
59.05005	11.9
67.05506	4.0
69.03424	1.7
69.07066	5.3
71.08627	26.9
71.42921	1.7
73.02918	4.0
73.06567	4.4
77.36737	1.7
79.05481	8.0
81.07061	5.8
83.08608	2.6
85.10178	16.3
87.04462	13.0
89.06026	89.8
90.06385	2.2
91.05473	7.0
93.07034	6.9
95.04987	3.6
95.08588	3.5
97.10143	2.7
103.05465	4.5
103.07580	4.5
105.07024	100.0
106.07371	10.7
107.07040	3.0
107.08617	2.3
109.10181	3.0
113.13288	3.1
117.09132	4.0
119.08562	5.8
121.06492	5.4
121.10114	3.2
127.01523	1.5
130.32521	1.5
131.07014	2.1
131.08565	3.5
133.08600	54.3
133.10104	3.0
135.11691	2.4
143.08556	1.9
145.10094	2.6
147.10199	3.9
147.11638	1.7
159.11703	3.2
175.14886	1.5
177.11238	18.9
183.21097	4.9
185.66000	1.5
187.69379	1.7
221.13844	5.2
225.12567	2.4
251.14104	3.1
255.35458	1.6
265.16422	2.6
269.15289	2.0
270.97253	1.5
271.25943	1.7
283.17532	3.3
304.81277	1.9
315.28891	3.2
329.18906	2.6
371.22675	9.3
553.42957	8.0
571.30365	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	570.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.7
57.07069	39.9
59.04999	2.2
63.81979	1.5
65.95365	1.4
67.05502	4.6
69.07044	9.2
69.44474	6.8
71.08626	40.7
73.02901	3.3
73.06546	4.7
79.05486	7.3
79.64493	1.4
81.07042	3.7
83.08617	2.6
85.10166	20.6
87.04456	11.1
89.06025	100.0
91.05482	5.7
93.07068	7.2
95.04958	4.9
95.08576	2.0
97.10160	2.4
98.23401	3.0
99.11733	6.0
103.05463	4.3
105.03400	3.3
105.07021	73.7
106.07339	3.2
107.08634	1.7
111.11697	3.0
112.99987	1.6
113.13299	4.0
117.09133	5.1
119.08562	4.0
121.04583	1.7
121.06500	6.9
124.03975	6.9
125.13305	1.7
127.01569	5.1
127.14854	2.5
130.08630	2.1
131.07056	2.7
131.08583	5.4
133.08592	60.3
133.10083	2.9
147.08076	2.0
153.03094	4.1
157.10101	1.8
161.11795	1.5
165.07117	2.3
165.09076	2.5
169.10208	1.6
177.11206	24.8
221.13797	4.7
225.12721	3.4
264.06329	1.7
264.15784	1.4
264.23367	1.7
271.26553	1.9
275.41611	1.6
283.17590	3.4
297.18356	1.6
315.19553	13.9
315.28812	2.8
371.22684	7.0
446.84152	1.8
515.22394	1.7
553.42908	6.5
570.25201	3.6
570.42963	2.9
571.29865	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	571.087
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
52.39125	0.2
55.01857	0.4
65.03933	3.5
67.01863	3.1
67.15415	0.2
68.99784	3.2
69.03415	1.0
69.77647	0.6
70.06587	1.0
72.08133	0.3
79.01830	0.3
79.05508	0.2
81.03400	0.5
85.02903	0.6
86.09682	0.4
87.04440	0.4
91.05473	1.3
93.03391	0.3
96.41447	0.2
96.73811	0.2
97.02884	0.6
100.11279	0.2
107.05005	0.2
107.58621	0.2
111.00787	0.7
111.04436	2.8
114.71946	0.2
115.05451	0.3
119.04940	1.7
121.02859	51.8
121.03948	5.2
122.03205	0.6
125.02328	0.5
127.03912	0.6
135.04463	0.2
137.02390	0.3
137.05998	0.4
145.02861	1.6
147.04393	2.8
153.01814	20.3
157.09999	0.2
159.04478	0.3
159.07953	0.3
159.11685	0.2
161.06038	0.2
163.03923	1.3
168.00481	1.0
169.06430	0.2
171.02887	3.5
171.04417	0.8
172.72618	0.2
173.06010	0.3
175.03871	0.4
186.01628	1.0
187.03943	0.6
190.44006	0.2
199.03891	1.1
203.03401	0.6
209.02380	0.3
211.03938	0.4
215.03352	1.3
217.04868	0.4
225.05489	0.3
227.03357	2.6
229.04988	0.7
237.05365	0.4
239.03337	0.3
243.03043	0.3
245.04486	1.0
249.11194	2.1
250.11525	0.5
253.01288	0.5
253.04922	1.1
255.02859	2.6
257.04459	1.9
258.05286	0.6
263.03506	0.3
267.02789	0.2
267.06876	0.3
269.04425	0.4
271.02441	0.6
271.05923	0.3
273.03949	0.7
277.04993	0.5
281.01160	0.4
281.04498	1.6
283.02414	1.8
284.02884	0.3
285.03912	0.4
286.04666	5.0
287.05347	2.1
293.04623	0.2
295.02530	0.4
295.05939	0.3
297.03824	1.9
298.04568	0.3
299.02158	0.3
299.05557	0.7
301.03363	4.0
305.01254	0.3
305.04419	1.2
307.06003	0.7
309.00220	0.6
309.03812	0.5
311.05533	0.7
313.03500	0.4
313.08075	0.2
321.03854	0.4
323.05573	0.8
325.03430	0.7
327.01395	1.8
327.04752	0.4
333.04034	0.8
334.04843	0.3
335.05426	1.4
337.03418	1.5
343.11853	0.4
345.07834	0.3
351.04984	0.8
361.03513	1.6
363.04813	1.3
373.07004	0.7
377.06628	0.6
378.52792	0.2
379.04507	0.6
387.04865	0.4
389.02753	2.0
391.04395	0.6
399.05133	0.3
405.05951	0.3
407.03851	1.2
409.05490	1.0
419.07571	15.3
420.07986	0.7
421.05838	0.5
425.05206	0.3
426.49832	0.2
433.05652	0.3
435.03430	3.9
445.05511	4.6
450.70554	0.3
451.07196	0.5
453.04221	0.4
469.04587	0.3
479.07788	0.3
479.17084	0.3
481.09158	0.3
497.09070	0.4
501.20117	0.3
525.08154	0.3
529.08423	0.2
553.07983	0.3
570.31763	11.0
571.08655	100.0
571.32031	4.2
572.08960	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	571.0868
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
50.01577	0.4
51.02382	1.0
53.03942	1.6
55.01887	0.6
57.02268	0.3
68.99784	3.3
69.03417	0.6
71.01344	0.8
76.87756	0.3
77.03934	1.8
77.04309	0.3
83.40384	0.3
85.02914	1.6
86.58657	0.4
91.05485	1.0
92.05871	0.3
92.26582	0.3
95.01328	1.8
95.04961	7.4
103.05451	1.0
105.03385	36.7
105.04417	3.0
105.07032	0.9
105.12834	0.3
109.02894	0.4
113.02362	1.0
113.74113	0.3
115.05408	0.5
123.00809	2.7
127.03918	0.4
129.03331	0.6
131.04941	0.9
132.09088	0.4
139.00269	0.9
141.01822	1.0
143.04985	0.4
147.04424	0.8
151.03894	5.5
151.05016	0.5
153.01837	0.9
157.81868	0.3
168.00591	0.9
169.01308	30.1
171.04463	0.6
177.05412	0.4
184.07370	0.7
187.02385	0.8
187.03925	0.6
199.03929	1.4
211.04034	0.4
215.03363	0.7
225.01857	0.4
227.03410	1.9
239.03357	0.5
241.04956	1.9
245.04475	0.7
253.05014	0.7
255.02829	1.6
256.03683	0.4
257.04501	0.5
269.04575	0.7
270.05206	5.9
271.02777	0.5
271.05930	5.8
273.03952	0.6
283.02466	2.0
283.09668	0.9
285.00363	0.8
285.03809	0.6
299.01852	0.4
301.03339	2.5
302.04077	0.6
313.03345	0.5
313.08838	0.6
321.03897	0.8
349.03409	0.8
351.04929	0.5
353.02826	0.5
358.08188	0.5
361.03238	0.5
361.07190	0.5
377.02811	1.7
379.04410	0.8
387.08667	0.5
388.05597	0.4
403.08102	12.1
405.02301	1.0
405.06699	0.5
407.04071	0.4
423.03647	0.6
429.06003	1.3
433.01984	0.9
451.02817	1.9
451.08310	0.5
479.07834	0.7
507.06870	2.0
535.06909	0.6
553.07465	1.8
571.08667	100.0
572.08868	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	571.0871
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
53.29123	0.2
53.74433	0.2
54.50312	0.2
60.62989	0.3
65.03942	3.1
67.01520	0.4
67.01864	6.9
68.99790	4.3
69.03412	0.8
69.23263	0.4
69.23673	0.9
81.03408	0.8
83.01348	0.3
84.03770	0.2
93.03397	0.3
97.02904	1.2
98.23532	0.5
101.78258	0.2
111.00803	0.8
111.04421	2.6
112.45336	0.2
119.04942	0.7
119.52677	0.2
121.02866	49.6
121.03934	4.0
122.03200	0.6
125.02330	0.8
127.03899	0.4
129.01929	0.3
145.02824	0.8
147.04430	0.8
153.01820	24.5
154.02139	0.4
159.04475	0.3
163.03894	0.8
171.02888	5.2
171.04440	1.0
175.03816	0.4
175.31824	0.2
177.05504	0.3
187.03857	0.5
189.05389	0.4
199.03867	1.9
203.03383	1.0
203.93437	0.2
209.02364	0.6
215.03409	3.0
217.04890	0.4
227.03392	4.7
229.04858	0.5
245.04395	1.5
253.04970	0.6
255.02884	5.7
257.04395	0.8
257.67691	0.3
271.02420	1.5
271.05054	0.3
273.03894	4.5
277.05096	0.3
281.04395	0.6
283.02362	3.5
286.04770	0.4
295.02853	0.3
295.06384	0.3
297.03952	0.7
299.01868	0.5
299.05365	0.3
301.03406	8.9
302.03604	0.3
305.04388	0.5
323.05264	0.4
327.01340	1.6
333.03784	0.3
334.35040	0.3
335.05649	0.4
345.07523	0.5
361.03357	0.7
363.04910	0.6
373.07013	0.9
377.06329	0.5
389.02798	0.4
391.08310	0.7
401.06393	0.6
402.07391	0.3
404.05624	0.4
407.03870	1.1
409.05414	0.3
418.06689	0.4
419.07599	62.3
420.07956	2.8
435.03415	0.5
441.06030	0.3
445.05527	7.0
446.05820	0.3
498.02850	0.3
571.08685	100.0
572.00555	0.4
572.09027	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	571.0872
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
55.01873	0.3
65.03935	2.8
65.44810	0.3
67.01865	5.6
67.75896	0.3
68.99786	4.4
69.03416	0.9
69.87637	0.3
70.43811	0.3
70.93259	0.5
81.03403	0.9
83.01319	0.4
85.02880	0.4
87.04453	0.7
89.06018	0.7
91.05484	0.4
93.13865	0.3
95.04967	0.3
97.02882	1.0
111.00814	0.9
111.04443	2.6
113.54051	0.3
119.04970	0.8
121.02862	45.4
121.03947	3.7
122.03178	0.5
125.02374	0.8
127.03896	0.5
129.01839	0.4
131.04942	0.3
133.08554	0.3
143.04890	0.3
145.02850	0.6
145.84616	0.3
147.04431	0.3
153.01817	20.6
154.02180	0.3
163.03941	0.6
171.02881	6.0
171.04413	1.2
187.03918	0.8
199.03915	2.0
201.05569	0.3
203.03439	1.1
205.04913	0.3
209.02348	0.3
215.03375	2.4
217.04918	0.4
227.03354	3.3
229.04892	0.7
243.02966	0.3
245.04494	1.2
253.05022	0.9
255.02872	5.4
256.03311	0.3
257.04410	1.2
271.02390	1.3
273.03958	3.4
281.01080	0.3
281.04407	0.7
283.02383	3.2
297.04001	0.7
299.02032	0.7
299.05490	0.6
301.03418	7.8
327.01367	1.4
335.05447	0.4
363.05081	0.6
373.07114	0.9
377.06445	0.5
379.04568	0.4
389.02795	0.7
401.06870	0.5
404.05154	0.5
407.03842	1.2
417.06094	0.4
419.07581	64.3
420.07758	2.5
435.03421	0.5
441.06012	0.3
445.05554	6.3
446.06354	0.3
453.16193	0.3
479.16669	0.4
553.08307	0.4
571.08667	100.0
572.08911	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	571.0865
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
55.01865	0.5
55.83060	0.2
65.03936	3.6
67.01527	0.2
67.01861	3.5
67.05497	0.2
68.99788	4.0
69.03439	0.9
69.95716	0.6
70.06581	0.4
81.03414	0.7
83.01324	0.5
84.08143	0.2
85.02896	0.3
86.09695	0.2
89.03943	0.2
91.05466	1.2
93.03361	0.2
95.04978	0.3
97.02885	0.7
111.00791	0.9
111.04445	2.8
111.18191	0.2
115.05481	0.4
119.04929	2.1
121.02858	52.6
121.03930	3.9
122.03201	0.5
125.02348	0.5
127.03943	0.3
128.06168	0.2
129.07004	0.5
131.08560	0.5
137.05971	0.4
140.00919	0.2
145.02859	1.3
145.06480	0.2
147.04398	2.5
151.03888	0.5
153.01814	20.6
154.02182	0.4
155.04900	0.3
159.08058	0.3
160.05347	0.2
161.05917	0.2
161.41795	0.2
163.03911	1.4
168.00534	1.1
169.01283	0.2
170.07227	0.2
171.02895	4.4
171.04404	1.2
175.03848	0.4
186.01593	0.8
187.03885	0.5
187.07542	0.4
189.05457	0.3
197.06032	0.4
199.03918	1.2
201.05457	0.3
203.03384	0.8
207.02847	0.2
209.02391	0.3
211.03990	0.2
213.00174	0.2
215.03395	1.4
217.04916	0.3
223.32973	0.2
225.05411	0.5
225.27863	0.2
227.03389	2.1
229.04932	1.0
237.05406	0.2
239.03311	0.4
243.02846	0.3
245.04503	1.1
249.11183	4.1
250.11647	0.9
253.01343	0.4
253.04935	1.3
255.02885	3.0
257.04446	2.1
258.05261	0.5
265.05145	0.3
269.04416	0.5
271.02338	0.8
273.03967	1.1
277.04962	0.6
281.01202	0.4
281.04483	1.6
283.02472	1.6
285.03995	0.5
286.04663	5.8
287.05295	2.1
295.06073	0.4
297.03900	2.2
298.04608	0.4
299.02054	0.4
299.05536	0.7
301.03394	3.6
303.01526	0.3
305.04419	1.1
307.05945	0.5
309.00375	0.7
309.03857	0.3
311.05530	0.8
313.03391	0.4
317.04474	0.4
321.03925	0.4
323.05597	1.0
325.03409	0.7
327.01395	2.1
327.05066	0.6
331.06329	0.3
333.03888	0.9
334.04883	0.2
335.05493	1.1
337.03372	0.9
345.03809	0.5
345.07614	0.4
351.05005	0.9
353.02814	0.4
361.03421	1.3
363.04892	1.0
373.07135	0.7
377.06479	1.0
379.04480	0.6
389.02692	1.7
391.04483	0.5
399.04831	0.4
401.06458	0.5
407.03958	1.4
408.04626	0.3
409.05176	1.0
419.07584	16.2
420.08020	0.6
421.05682	0.3
427.04285	0.5
435.03400	3.5
445.05502	4.7
451.06674	0.8
452.06339	0.7
453.04532	0.5
479.07986	0.2
497.08731	0.3
525.08142	0.5
553.07782	0.3
553.22302	0.4
570.31665	3.8
571.08655	100.0
572.08954	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	571.0872
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
60.16900	0.3
65.03942	3.5
67.01862	4.4
68.99786	4.0
69.03420	0.9
69.29292	1.8
75.48710	0.3
76.65626	0.3
77.98557	0.3
81.03413	0.6
83.01331	0.6
85.02894	0.5
88.04286	0.3
91.05476	0.5
93.03418	0.4
93.07014	0.3
95.08583	0.9
97.02873	1.1
98.23529	0.6
104.10750	0.4
105.07024	0.4
111.00792	0.8
111.04432	3.8
119.04932	1.5
121.02863	51.2
121.03932	4.3
122.03210	0.7
125.02319	0.6
127.03902	0.6
131.04958	0.4
141.01849	0.3
145.02846	1.4
147.04428	1.0
153.01820	20.8
154.02184	0.3
158.75502	0.3
163.03958	0.5
168.00539	1.1
171.02890	3.8
171.04416	0.9
178.46352	0.3
186.01576	0.4
187.03926	0.4
199.03914	1.1
201.05396	0.4
203.03490	0.9
215.03371	1.4
217.05005	0.4
225.05446	0.4
227.03387	2.6
229.04970	0.6
245.04446	1.4
253.05061	1.3
255.02895	3.1
257.04367	1.6
258.05252	0.4
259.02252	0.4
269.04504	0.5
271.02295	0.8
271.05930	0.4
273.03888	1.5
277.04770	0.4
281.01358	0.4
281.04312	1.5
283.02399	1.3
285.03943	0.6
286.04715	3.8
287.05264	2.1
295.02539	0.5
297.03986	1.2
299.01895	0.4
299.05353	0.8
300.29382	0.3
301.03403	4.0
305.04523	1.1
307.05890	0.6
309.00397	0.5
313.03537	0.7
323.05505	1.0
327.01364	1.7
333.03989	0.9
335.05493	1.1
337.03619	0.6
345.07474	0.6
351.04938	0.7
361.03467	1.7
363.05066	1.0
373.07043	0.9
377.06500	0.6
389.03055	1.3
391.04416	0.6
395.05310	0.6
401.06509	0.6
407.03973	1.3
409.05472	0.7
419.07574	21.6
420.07993	1.3
435.03464	3.3
445.05475	4.9
451.06897	0.7
479.16763	0.5
571.08673	100.0
572.08942	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	571.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43028	0.4
67.05508	0.8
69.88806	1.0
71.04996	0.5
75.55515	0.3
79.05487	0.5
81.07082	0.8
89.06033	1.5
91.05489	0.7
93.07053	0.8
95.04969	0.7
95.08594	0.5
97.02915	0.5
98.23385	0.7
103.05486	0.4
105.07022	5.8
119.08560	2.0
121.06548	1.0
127.01546	0.4
131.08592	1.0
133.08621	0.6
133.10146	0.4
139.01570	0.6
143.08559	0.4
145.10179	0.5
147.08075	0.8
149.05981	0.7
156.09378	0.4
157.10149	0.7
157.43047	0.3
159.11777	0.4
169.10208	0.8
171.11687	0.8
173.13275	0.4
181.09956	0.4
183.04066	0.4
183.11691	0.5
195.11710	0.4
196.81151	0.4
197.13289	1.0
209.13301	0.6
220.12392	0.4
235.14914	0.5
293.15057	0.4
313.18082	0.5
321.14612	0.7
335.16229	1.0
353.17429	0.6
395.18320	2.2
423.21442	0.7
455.20593	1.3
483.23511	45.9
484.24033	2.3
511.23148	0.5
571.28821	100.0
572.29205	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	571.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42040	3.8
53.03936	5.8
53.96949	3.0
55.01861	6.0
55.05502	12.5
57.03434	6.5
61.02919	4.0
65.03943	3.9
67.01878	4.1
67.05504	27.2
68.99786	7.3
69.03082	4.0
69.03411	21.9
69.07062	14.6
69.39745	8.9
69.40136	6.5
70.06593	6.2
71.04982	7.6
72.59369	3.5
73.02903	6.8
78.53220	3.5
79.05470	19.5
81.03420	18.7
81.07054	43.0
83.04965	7.3
83.08626	5.1
83.37765	3.0
85.02905	45.6
85.06517	5.6
86.09713	3.3
87.00823	20.3
87.04445	4.3
91.05482	21.2
92.83974	3.4
93.07033	30.5
95.04960	6.7
95.08023	5.1
95.08605	62.8
97.02882	17.9
97.06528	14.2
99.04444	9.9
100.93204	3.2
105.01861	17.4
105.07025	26.0
105.66559	3.3
106.06536	6.6
107.08576	33.1
109.02885	14.6
109.10160	40.3
111.04452	4.5
111.08066	7.2
112.55300	3.3
112.58914	3.1
115.07583	5.6
117.07011	4.6
119.04871	3.7
119.08572	32.3
121.02848	43.8
121.10135	28.8
123.11722	16.4
124.07562	3.5
125.09618	6.4
127.03912	36.7
130.05009	21.0
131.08569	14.2
133.10112	25.5
135.04405	8.2
135.07999	4.3
135.11678	19.6
137.02322	5.1
137.05997	4.5
137.09592	20.1
138.05508	12.5
139.01465	3.4
143.08521	7.8
145.04941	9.2
145.10086	19.8
147.04413	3.9
147.11650	18.7
149.13261	23.0
151.11200	8.3
152.07062	5.2
153.01820	13.7
157.10106	9.5
159.02855	6.3
159.11658	21.9
161.02280	7.1
161.13237	20.0
163.03935	6.3
163.14812	9.9
165.12773	5.5
166.08621	7.5
169.42911	3.5
171.02879	4.2
171.11684	8.9
173.13258	13.7
175.14844	13.4
177.16437	5.8
179.14206	5.1
185.13211	10.4
187.14783	18.8
189.16402	11.3
191.14384	4.0
193.15875	10.2
199.14856	7.0
201.16406	10.4
203.17929	3.9
205.15860	10.0
213.03931	4.1
213.16479	5.7
217.19492	5.7
219.17415	4.0
227.17882	6.3
231.05089	5.4
243.21065	12.3
247.20535	3.5
253.04985	4.5
255.06305	6.3
266.89316	8.6
269.08063	5.0
269.22614	20.6
271.04214	4.6
275.23703	13.3
276.24078	3.9
277.07101	21.2
285.03912	4.6
287.05551	4.6
287.23682	83.6
293.24670	15.4
305.24731	87.2
313.07047	100.0
314.07391	4.6
322.10818	9.1
323.25763	43.6
347.12402	11.5
350.10120	6.3
361.06979	6.7
366.99103	3.3
382.12811	46.3
410.12155	6.7
410.94305	4.1
419.07547	22.7
428.13293	11.8
442.15012	96.7
443.15524	5.1
478.15018	21.1
479.16580	10.6
499.26099	4.0
514.94745	7.1
526.16846	7.5
553.20282	5.2
571.00647	6.0
571.08673	51.1
571.22778	24.4
572.09094	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	572.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03923	0.9
57.07067	1.5
64.05021	0.7
68.99786	1.6
69.43819	1.7
69.44227	2.4
70.06579	3.4
75.46539	0.7
78.92594	0.7
88.07645	4.4
91.05478	2.5
92.01395	1.0
95.04970	2.6
102.09155	4.2
103.05460	39.1
105.03376	5.0
105.04474	1.0
107.04946	0.8
115.05448	1.4
131.04919	100.0
132.05293	1.2
138.01860	1.6
146.02386	0.8
149.02344	2.2
149.05978	11.9
150.06305	3.5
152.03403	1.7
155.04942	0.8
156.02913	3.8
162.41614	0.7
166.01320	2.1
167.02115	0.8
168.02888	1.1
169.06462	0.9
174.01897	2.1
178.01352	21.2
180.02869	2.5
181.06465	0.8
190.01364	1.3
192.02986	1.7
193.04997	1.4
202.01323	13.9
203.02129	1.4
204.02953	3.6
206.00789	5.0
208.02412	2.2
211.99854	1.3
218.00793	1.5
220.02399	2.7
224.07106	1.0
225.05562	1.2
230.00838	11.1
232.02377	3.6
232.07497	0.9
234.00343	5.8
236.01971	0.9
236.07005	1.1
239.99214	1.2
242.00890	1.3
246.00290	1.3
248.01898	9.5
252.01376	2.4
256.26349	5.7
257.26672	5.7
258.00305	16.0
259.01038	1.8
260.01932	2.2
262.03204	5.0
264.06677	1.3
266.02954	4.5
268.00876	2.2
270.07574	2.4
271.08386	1.4
272.06625	0.9
276.01385	7.8
276.06277	0.8
280.04703	3.3
282.07623	14.5
284.09174	1.1
285.99780	1.4
286.04791	1.0
288.06543	2.2
292.00861	1.9
294.07489	0.9
297.07590	1.7
298.07834	2.3
302.02969	1.6
304.00656	1.8
306.02371	1.1
306.07678	1.5
310.06958	1.9
313.99228	1.5
316.05859	4.1
322.06924	1.9
330.04022	1.3
332.00320	3.5
332.05606	1.2
334.07166	4.8
336.08636	2.2
338.06546	1.1
341.10266	6.5
342.10477	7.2
343.10828	1.4
344.05408	3.5
346.02255	1.0
346.07022	2.0
350.06699	1.3
352.08099	10.8
362.06641	11.1
364.08051	2.6
366.09607	4.1
372.04895	8.1
374.06445	1.0
378.09592	1.8
380.07773	1.6
382.02924	0.9
384.10785	1.9
390.05978	6.7
392.07458	3.0
394.09244	1.1
396.68030	0.8
400.04477	9.2
404.07764	0.9
408.06927	3.0
412.10391	2.4
418.05542	7.3
422.08652	5.9
423.09592	1.1
424.10294	5.3
432.07025	2.3
434.10062	1.2
436.06863	1.9
440.09772	2.5
448.10751	1.3
450.08136	4.7
454.12744	10.1
466.12631	1.5
468.09085	1.0
476.11194	3.1
477.12015	1.1
494.12381	8.2
504.10754	24.1
505.11151	1.2
508.13870	1.8
512.13269	0.9
522.11749	12.0
526.14783	1.8
536.13446	6.5
554.14594	8.0
555.14783	1.1
571.34503	16.1
572.14880	0.9
572.34924	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	572.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55938	1.0
52.01897	2.9
55.01875	1.4
56.44903	1.1
58.45808	1.2
68.99786	7.6
69.32203	6.1
70.17857	1.0
71.40426	1.0
80.34068	1.0
83.03724	1.2
91.05466	2.6
92.01344	5.5
92.99757	6.6
97.02222	1.2
98.23467	2.4
101.02393	1.3
103.05457	31.2
105.03397	2.0
105.07027	2.3
111.03180	3.9
115.05439	6.0
117.07020	1.5
122.02377	1.3
125.71165	1.2
126.01879	1.2
129.06981	2.6
131.04913	74.5
132.00787	1.2
132.05240	1.9
133.06471	1.7
138.01872	5.8
141.06999	1.3
143.04890	1.4
145.06514	2.5
148.00284	8.2
149.01033	5.6
157.01326	10.6
157.06476	3.1
160.00270	2.5
166.01360	9.4
167.02129	21.3
168.02873	1.7
169.01341	2.0
171.02879	14.5
171.04402	5.5
175.99805	1.2
177.00500	2.0
178.01312	6.1
184.02397	2.1
185.03175	14.7
185.05896	1.4
187.07516	2.7
189.05469	3.1
192.02908	2.7
195.01591	3.1
202.01366	5.1
204.02853	2.9
205.08545	2.8
213.05399	5.4
215.01859	2.6
220.02361	1.4
222.00291	6.7
225.05481	2.4
230.00771	1.5
231.98717	2.3
240.01360	1.4
242.08157	1.6
248.01846	7.5
249.99789	13.6
259.06064	4.5
264.06522	1.5
266.02954	2.8
268.00851	96.3
269.01407	1.3
270.07675	4.0
271.08362	18.7
271.11108	1.7
273.07391	1.5
273.99887	1.3
280.06039	2.2
281.06827	7.7
282.07584	3.9
287.05457	4.2
292.00800	3.5
301.07037	100.0
302.07397	3.4
304.00809	1.2
306.02481	5.0
306.07678	2.5
322.07458	1.5
336.04993	2.5
340.08023	2.4
352.08145	3.9
353.09409	1.4
354.06027	96.5
355.06519	7.1
362.06339	1.4
366.09714	13.1
368.07678	14.5
369.08267	5.6
390.05774	2.9
392.07614	14.9
408.07208	1.4
494.12173	5.2
522.11572	4.8
554.14093	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	572.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01902	5.3
53.00305	1.3
54.90295	1.0
55.01867	2.0
57.29806	0.9
65.45433	1.1
68.99787	8.8
69.50321	5.0
70.02965	1.8
83.03714	2.3
85.35346	1.2
91.05482	3.4
92.01370	6.6
92.99753	6.4
95.04968	1.7
103.05467	34.5
104.01360	1.2
105.03403	2.3
105.07031	1.5
110.02456	1.7
111.03175	4.6
115.05441	7.8
117.07032	1.9
120.00815	2.6
126.01857	1.4
129.07014	3.2
131.04926	80.6
131.08568	1.5
132.05234	2.4
133.06505	1.8
138.01855	5.7
139.02634	2.7
141.07016	2.0
143.04898	2.2
145.06456	2.6
148.00299	12.5
149.01099	7.2
154.01418	1.6
157.01332	9.8
157.06468	3.3
159.04462	1.7
159.08066	1.0
160.00336	2.5
163.60558	1.0
166.01372	12.1
167.02130	26.7
168.02882	1.7
169.01384	2.1
171.02895	18.9
171.04443	5.9
173.06001	2.3
175.99809	1.3
177.00612	2.3
178.01337	7.7
184.02405	1.9
185.03200	15.7
185.05966	2.4
187.07646	2.6
189.05461	2.2
190.01320	1.5
192.02998	3.0
195.01614	5.3
196.02396	1.5
199.03897	1.2
202.01375	3.5
204.02928	3.8
205.08595	4.0
213.05525	4.0
215.01901	4.1
218.00929	1.1
220.02390	1.3
222.00404	5.6
225.05536	2.6
231.98897	3.2
236.01936	1.2
240.01344	3.1
241.04951	2.0
242.08136	1.7
248.01820	6.2
249.99850	15.6
258.00327	1.9
259.06021	4.7
262.03537	1.6
264.06567	2.0
266.03033	4.7
268.00876	99.0
269.01303	2.4
270.07657	3.4
271.08401	20.5
272.08875	1.9
273.07391	1.0
273.99979	1.3
276.01694	1.1
278.08115	1.2
280.06113	1.8
281.06793	9.1
282.07635	3.3
287.05515	5.8
288.01398	2.5
292.00937	5.0
301.07071	100.0
302.07623	3.5
306.02484	3.7
306.07581	2.8
334.07095	1.1
336.04996	2.9
337.05429	1.4
340.08185	3.0
350.06461	1.6
352.08023	4.8
354.06058	89.1
355.06659	8.6
362.06549	1.2
366.09778	10.1
368.07617	12.2
369.08380	4.0
371.18231	3.1
372.18692	1.6
390.05911	3.5
392.07669	15.9
393.08395	1.1
408.07263	1.2
441.72894	1.1
465.34015	1.0
494.12463	5.6
522.11670	3.9
531.22351	1.0
554.14264	9.7
555.13049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01904	5.2
53.00306	2.7
54.03472	1.3
55.01867	2.4
58.75505	1.1
68.10216	1.1
68.99778	9.4
70.02957	2.0
77.03941	1.5
77.41014	1.1
83.03731	1.5
91.05479	4.8
92.01341	7.8
92.99770	6.3
95.04964	1.9
103.05466	44.2
104.01359	1.2
104.05802	2.5
105.03384	4.5
105.07032	1.3
111.03182	3.5
115.05437	8.6
117.07009	2.7
120.00815	2.5
129.07021	3.5
131.04916	84.5
132.00926	1.2
132.05264	4.9
133.06490	2.2
137.02390	1.3
138.01889	4.4
141.07014	2.6
143.04880	2.1
145.06517	2.0
148.00278	11.3
149.01077	7.0
154.01315	1.2
155.06004	1.2
157.01331	10.7
157.06496	3.7
159.04462	1.6
160.00304	3.9
164.03407	1.5
166.01373	9.7
167.02141	30.1
168.02936	2.7
169.01326	3.2
171.02887	14.3
171.04424	6.1
173.05962	1.1
174.01778	1.2
175.99792	3.1
177.00595	3.0
178.01395	10.3
180.02849	1.9
185.00784	1.3
185.03180	14.4
185.05983	2.6
187.07532	1.5
189.05493	1.4
192.02940	2.7
195.01595	2.8
196.02432	1.4
199.03943	1.5
202.01363	5.6
204.02895	2.6
205.08627	3.8
210.87625	1.0
213.05505	4.7
215.01797	5.3
216.02866	1.3
218.00868	2.2
220.02399	2.6
222.00337	4.6
225.05525	2.5
230.00835	1.7
231.06400	1.4
231.98836	3.3
236.54926	1.1
240.01384	2.7
241.04956	1.9
241.08513	1.5
242.08121	1.4
244.02394	1.5
248.01944	5.0
249.99802	13.9
258.00208	1.5
259.06009	6.2
262.03445	2.5
266.02945	3.6
268.00851	100.0
269.01401	1.3
269.04456	1.7
270.07559	5.5
271.08359	20.0
272.09030	1.4
276.01236	1.7
278.08038	1.5
280.06100	1.9
281.06830	7.4
282.07660	5.0
287.05557	5.2
288.01157	1.1
292.00830	5.0
301.07034	95.6
302.07397	3.3
304.00717	1.5
306.02362	4.9
306.07623	3.1
324.08832	1.5
326.06607	1.1
334.07037	1.5
336.05069	3.5
340.08179	2.7
352.08206	4.4
354.06039	89.4
355.06723	8.4
362.06390	1.4
366.09647	13.2
368.07614	13.5
369.08328	4.9
376.08395	2.2
390.05920	4.4
392.07660	13.6
417.07755	1.3
424.10333	1.8
436.09402	1.3
494.12326	4.9
521.14294	1.8
522.14502	15.7
537.13092	1.3
554.14215	9.6
555.14191	1.4
572.11890	3.1
572.18732	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	572.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41972	1.6
53.78648	1.5
55.57337	1.6
55.88148	1.5
56.05025	7.1
58.78181	1.8
62.32187	1.6
63.23880	2.1
63.66338	1.6
63.84968	1.6
68.99784	5.3
70.06591	49.6
71.15753	2.4
81.03412	1.9
84.04454	2.0
90.49907	1.5
91.05486	7.4
93.03411	2.0
95.04978	5.8
101.49217	1.7
103.05461	25.6
104.05781	2.4
105.03407	5.1
105.07014	3.2
109.02895	2.3
110.06040	9.8
115.05473	2.4
119.04963	2.3
123.04461	4.2
124.05199	2.7
125.04794	2.5
125.75271	1.6
131.04929	78.0
132.05312	5.1
135.04378	4.0
137.02362	2.8
147.04379	4.0
151.03900	2.5
161.34749	1.8
163.03897	5.2
167.03423	2.8
168.02913	3.7
169.01297	2.7
173.06026	3.2
175.03920	2.0
179.03432	6.2
180.04158	28.7
180.06578	1.9
181.01324	4.0
181.03693	8.3
187.03973	4.2
189.01794	1.7
189.05486	1.9
191.03442	4.9
192.04147	2.8
192.06665	2.5
193.01286	3.3
193.05074	2.2
194.04555	2.1
195.02881	20.7
196.02457	5.5
199.02289	1.9
201.01872	2.2
203.03435	4.9
205.05038	2.3
207.02878	23.3
208.03722	22.8
208.06084	18.1
209.01160	2.7
209.03091	26.6
209.06787	26.1
210.07426	2.4
215.03410	4.2
216.06569	3.0
217.04984	4.2
218.04520	4.4
219.02919	3.5
219.05119	3.1
220.03752	2.1
221.04451	3.3
224.05534	2.5
225.03888	2.5
226.04726	25.3
231.02870	2.8
233.04530	4.5
234.07626	2.7
235.06035	2.2
236.05545	16.7
237.04004	3.5
237.06273	34.0
243.02896	2.7
250.07211	2.5
256.05969	2.5
257.04465	9.8
259.02609	1.8
260.05557	4.9
261.03915	4.7
269.08130	6.0
270.08856	4.0
271.06064	2.9
274.07162	2.2
278.06790	3.1
283.02396	2.3
285.10181	2.3
287.01901	2.2
296.13037	2.2
302.06750	2.4
303.05170	2.6
311.09171	12.6
312.09869	36.2
313.09567	14.8
319.09619	4.1
322.10767	4.5
324.12430	2.4
338.13791	5.6
340.11780	52.8
341.12552	55.8
342.13144	2.8
378.13037	2.6
382.12982	2.9
389.06488	31.2
389.10870	2.6
406.12869	6.7
415.07846	2.1
424.14026	14.7
432.11209	3.8
450.11597	10.2
467.11218	3.3
468.12909	2.8
510.19394	3.8
519.14392	2.0
528.19739	2.3
536.17181	5.2
554.09802	2.4
554.18079	44.0
555.18597	2.9
572.19147	100.0
573.10925	2.5
573.20013	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	572.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41972	1.6
53.78648	1.5
55.57337	1.6
55.88148	1.5
56.05025	7.1
58.78181	1.8
62.32187	1.6
63.23880	2.1
63.66338	1.6
63.84968	1.6
68.99784	5.3
70.06591	49.6
71.15753	2.4
81.03412	1.9
84.04454	2.0
90.49907	1.5
91.05486	7.4
93.03411	2.0
95.04978	5.8
101.49217	1.7
103.05461	25.6
104.05781	2.4
105.03407	5.1
105.07014	3.2
109.02895	2.3
110.06040	9.8
115.05473	2.4
119.04963	2.3
123.04461	4.2
124.05199	2.7
125.04794	2.5
125.75271	1.6
131.04929	78.0
132.05312	5.1
135.04378	4.0
137.02362	2.8
147.04379	4.0
151.03900	2.5
161.34749	1.8
163.03897	5.2
167.03423	2.8
168.02913	3.7
169.01297	2.7
173.06026	3.2
175.03920	2.0
179.03432	6.2
180.04158	28.7
180.06578	1.9
181.01324	4.0
181.03693	8.3
187.03973	4.2
189.01794	1.7
189.05486	1.9
191.03442	4.9
192.04147	2.8
192.06665	2.5
193.01286	3.3
193.05074	2.2
194.04555	2.1
195.02881	20.7
196.02457	5.5
199.02289	1.9
201.01872	2.2
203.03435	4.9
205.05038	2.3
207.02878	23.3
208.03722	22.8
208.06084	18.1
209.01160	2.7
209.03091	26.6
209.06787	26.1
210.07426	2.4
215.03410	4.2
216.06569	3.0
217.04984	4.2
218.04520	4.4
219.02919	3.5
219.05119	3.1
220.03752	2.1
221.04451	3.3
224.05534	2.5
225.03888	2.5
226.04726	25.3
231.02870	2.8
233.04530	4.5
234.07626	2.7
235.06035	2.2
236.05545	16.7
237.04004	3.5
237.06273	34.0
243.02896	2.7
250.07211	2.5
256.05969	2.5
257.04465	9.8
259.02609	1.8
260.05557	4.9
261.03915	4.7
269.08130	6.0
270.08856	4.0
271.06064	2.9
274.07162	2.2
278.06790	3.1
283.02396	2.3
285.10181	2.3
287.01901	2.2
296.13037	2.2
302.06750	2.4
303.05170	2.6
311.09171	12.6
312.09869	36.2
313.09567	14.8
319.09619	4.1
322.10767	4.5
324.12430	2.4
338.13791	5.6
340.11780	52.8
341.12552	55.8
342.13144	2.8
378.13037	2.6
382.12982	2.9
389.06488	31.2
389.10870	2.6
406.12869	6.7
415.07846	2.1
424.14026	14.7
432.11209	3.8
450.11597	10.2
467.11218	3.3
468.12909	2.8
510.19394	3.8
519.14392	2.0
528.19739	2.3
536.17181	5.2
554.09802	2.4
554.18079	44.0
555.18597	2.9
572.19147	100.0
573.10925	2.5
573.20013	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	572.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	4.2
56.27203	1.7
68.99798	4.3
70.06590	41.8
71.43094	2.5
79.05471	2.5
84.08145	2.4
91.05490	7.7
95.04972	4.5
103.05471	25.8
105.03381	6.2
105.07017	2.4
107.04966	6.5
109.02844	3.8
110.06072	7.0
115.05456	5.9
119.04951	3.1
121.06531	2.3
123.04409	3.7
124.05207	3.0
125.04701	2.0
126.01072	6.6
131.04929	71.5
131.84399	2.0
133.06485	2.0
134.03661	3.6
135.04463	4.0
155.04906	2.6
156.08086	2.2
157.06606	1.9
163.03888	10.2
168.02994	4.3
169.01361	6.9
175.03899	3.4
179.03424	8.4
180.04207	20.9
181.01416	2.7
181.03702	7.1
187.03917	13.9
190.05083	2.5
191.03432	5.1
192.04205	4.0
193.01347	2.3
193.05063	2.1
195.02899	16.4
196.02403	2.2
203.03416	3.3
205.04939	1.9
207.02887	30.9
207.06558	1.7
208.03726	19.4
208.06099	14.5
209.03177	29.7
209.06798	24.8
210.07391	2.2
212.07141	8.4
215.03433	4.0
217.04929	3.7
218.00978	3.6
218.04472	3.7
219.02867	3.9
220.03767	2.4
221.04565	2.2
224.05392	1.9
226.04677	21.6
231.02945	8.2
232.05783	2.3
233.04419	4.4
234.07722	2.0
236.05510	16.6
237.04033	3.3
237.06296	32.5
240.01416	3.9
242.71178	1.8
243.02809	2.5
255.02937	4.6
256.06107	9.0
257.04382	9.6
260.05600	4.7
261.03979	3.4
269.07959	2.8
270.08713	2.0
273.03891	3.0
280.05945	9.0
296.12711	2.3
307.09726	2.5
311.09152	9.8
312.09897	36.2
313.09503	14.3
319.09467	4.7
320.07443	2.3
322.10831	3.3
332.00482	4.0
338.13885	5.1
340.11774	47.9
341.12537	46.9
341.16434	3.3
348.04587	2.4
364.11664	2.7
366.06073	2.9
378.13348	3.0
389.06287	14.4
398.10312	5.5
406.12891	4.6
424.13751	11.7
450.05042	2.1
450.11954	8.1
468.05515	4.4
485.12039	2.7
510.19547	3.4
536.16840	4.3
554.18079	41.1
572.11072	23.9
572.19189	100.0
573.11444	3.1
573.19739	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	572.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	4.2
56.27203	1.7
68.99798	4.3
70.06590	41.8
71.43094	2.5
79.05471	2.5
84.08145	2.4
91.05490	7.7
95.04972	4.5
103.05471	25.8
105.03381	6.2
105.07017	2.4
107.04966	6.5
109.02844	3.8
110.06072	7.0
115.05456	5.9
119.04951	3.1
121.06531	2.3
123.04409	3.7
124.05207	3.0
125.04701	2.0
126.01072	6.6
131.04929	71.5
131.84399	2.0
133.06485	2.0
134.03661	3.6
135.04463	4.0
155.04906	2.6
156.08086	2.2
157.06606	1.9
163.03888	10.2
168.02994	4.3
169.01361	6.9
175.03899	3.4
179.03424	8.4
180.04207	20.9
181.01416	2.7
181.03702	7.1
187.03917	13.9
190.05083	2.5
191.03432	5.1
192.04205	4.0
193.01347	2.3
193.05063	2.1
195.02899	16.4
196.02403	2.2
203.03416	3.3
205.04939	1.9
207.02887	30.9
207.06558	1.7
208.03726	19.4
208.06099	14.5
209.03177	29.7
209.06798	24.8
210.07391	2.2
212.07141	8.4
215.03433	4.0
217.04929	3.7
218.00978	3.6
218.04472	3.7
219.02867	3.9
220.03767	2.4
221.04565	2.2
224.05392	1.9
226.04677	21.6
231.02945	8.2
232.05783	2.3
233.04419	4.4
234.07722	2.0
236.05510	16.6
237.04033	3.3
237.06296	32.5
240.01416	3.9
242.71178	1.8
243.02809	2.5
255.02937	4.6
256.06107	9.0
257.04382	9.6
260.05600	4.7
261.03979	3.4
269.07959	2.8
270.08713	2.0
273.03891	3.0
280.05945	9.0
296.12711	2.3
307.09726	2.5
311.09152	9.8
312.09897	36.2
313.09503	14.3
319.09467	4.7
320.07443	2.3
322.10831	3.3
332.00482	4.0
338.13885	5.1
340.11774	47.9
341.12537	46.9
341.16434	3.3
348.04587	2.4
364.11664	2.7
366.06073	2.9
378.13348	3.0
389.06287	14.4
398.10312	5.5
406.12891	4.6
424.13751	11.7
450.05042	2.1
450.11954	8.1
468.05515	4.4
485.12039	2.7
510.19547	3.4
536.16840	4.3
554.18079	41.1
572.11072	23.9
572.19189	100.0
573.11444	3.1
573.19739	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	572.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01867	0.5
55.81727	0.3
57.03429	1.1
57.07062	0.4
57.93437	0.3
61.02910	0.4
65.03929	0.5
68.99798	0.3
69.03429	4.9
69.07059	0.8
70.04073	65.9
70.67560	0.3
70.67885	0.3
71.04986	0.5
71.10922	0.3
72.45116	0.3
73.02911	0.6
73.06539	0.4
81.03420	4.2
85.02898	6.1
87.00811	2.3
87.01967	0.3
91.05459	0.3
91.82182	0.3
92.05004	1.9
94.06561	4.9
95.05004	0.4
96.04462	0.4
97.02890	2.3
99.04444	1.0
103.05489	0.5
105.01857	1.0
105.03381	1.5
109.02886	2.7
110.06031	2.7
115.05524	0.6
116.06189	0.5
117.01844	0.4
125.01539	11.2
127.03909	4.8
128.06209	0.5
129.01833	0.5
138.05492	100.0
139.03096	1.6
139.05882	0.6
142.07747	0.8
144.09309	0.7
145.04936	1.4
151.03081	5.5
159.02864	1.0
163.03107	1.4
165.04668	2.4
177.04637	1.2
179.06175	2.0
207.09312	0.7
219.09332	0.6
231.05008	0.5
242.08188	0.3
276.12543	1.1
288.12653	0.5
306.13666	7.4
307.14258	0.3
324.14697	41.3
325.14975	1.3
449.28680	0.3
486.19672	1.2
554.18738	1.0
572.19696	3.6
572.26123	20.7
573.26605	0.7
596.11475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85973	0.2
51.47189	0.2
53.03927	0.4
55.05507	0.2
61.57961	0.2
63.25579	0.2
69.07033	0.2
75.52789	0.2
78.03439	0.7
79.05468	0.2
79.92272	0.2
80.05008	4.6
81.07038	0.3
89.06021	0.3
89.66158	0.2
91.05457	0.2
93.07048	0.4
93.46452	0.2
94.06573	0.5
94.74253	0.2
95.08592	0.4
96.04482	3.6
105.07021	0.5
106.02919	1.0
107.08580	0.2
109.06540	0.2
116.79163	0.2
119.08565	0.9
121.10101	0.4
123.08041	0.2
124.03937	100.0
124.24001	0.2
125.04243	1.2
131.08574	0.3
133.10112	0.7
138.05484	7.0
145.10129	0.6
147.11707	0.2
149.09544	0.3
157.10077	0.3
159.11690	0.6
161.09511	0.2
161.13257	0.2
170.10928	0.3
171.11684	0.3
173.13266	0.6
183.11653	0.3
185.13210	0.2
187.14777	1.8
189.12706	0.3
197.13208	0.4
198.13933	0.2
199.11031	0.2
199.14777	0.3
203.14343	0.5
205.15865	0.3
210.98083	0.2
215.14340	0.2
216.15125	0.3
217.15862	0.4
222.88455	0.2
247.14536	0.2
265.15829	0.3
283.16876	0.3
287.16458	0.2
301.18033	0.4
311.16376	1.6
329.17453	2.8
368.00476	0.2
423.74722	0.2
452.20581	0.5
494.21497	0.2
512.22595	1.3
572.24988	5.4
573.25641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01905	0.1
53.03934	0.3
61.59801	0.1
64.81409	0.1
67.05496	0.1
69.90320	0.2
69.90646	0.2
75.51220	0.1
77.35311	0.1
78.03439	0.6
79.04231	0.1
80.05010	3.8
81.07070	0.1
87.04444	0.1
91.05482	0.1
93.07029	0.2
94.06576	0.2
96.04482	3.0
105.07002	0.2
119.08615	0.1
124.03940	100.0
125.04272	1.3
131.07162	0.1
138.05487	3.6
143.08536	0.2
155.06943	0.2
157.10170	0.1
167.08516	0.2
171.11739	0.2
173.09619	0.2
179.02080	0.1
179.08484	0.1
181.10086	0.2
183.11652	0.2
187.11182	0.1
189.12762	0.1
193.10118	0.2
194.10901	0.2
213.12704	0.2
223.14786	0.2
251.14320	0.2
253.94411	0.1
265.15836	0.2
269.15500	0.1
311.16443	0.6
329.17606	0.5
572.26190	0.3
573.25653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
67.05504	0.3
68.05026	0.1
68.16143	0.1
69.68707	0.3
74.33739	0.1
78.03454	0.8
78.42926	0.1
79.04224	0.2
80.05016	3.8
81.07043	0.2
83.04986	0.1
85.77332	0.1
87.04459	0.1
91.05512	0.1
93.07021	0.2
95.90297	0.1
96.04494	2.5
97.02890	0.3
98.23389	0.1
105.07011	0.2
106.02911	0.8
107.08556	0.2
109.06506	0.1
109.10130	0.1
111.04459	0.2
117.07082	0.1
119.08571	0.4
121.10127	0.1
124.03947	100.0
125.03505	0.1
125.04285	1.2
129.07063	0.1
131.08591	0.2
135.08070	0.5
138.05499	1.5
140.03377	0.1
141.05475	0.1
141.15901	0.1
147.07996	0.1
155.07045	0.3
156.09358	0.2
157.10126	0.3
167.08516	0.1
169.10136	0.2
170.10876	0.1
171.11728	0.4
173.13193	0.2
175.11261	0.2
181.10127	0.1
183.11647	0.1
185.13245	0.2
187.11139	0.1
189.12881	0.1
193.10117	0.2
194.10831	0.1
195.11679	0.2
200.11920	0.1
201.12718	0.5
207.11723	0.1
208.12521	0.2
209.11485	0.1
209.13268	0.4
213.12781	0.2
221.13333	0.1
223.14822	0.6
231.20378	0.1
241.15897	0.1
241.34720	0.1
247.80283	0.1
251.14293	0.6
265.15857	0.1
269.15448	0.3
283.16953	0.3
287.16422	0.1
293.15482	0.1
301.17920	0.1
311.16479	1.1
329.17432	0.7
347.18399	0.1
371.18463	0.3
408.32227	0.1
470.21609	0.2
530.23737	0.2
554.23712	0.5
572.25104	0.2
573.25470	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	572.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.4
51.02369	0.6
53.03943	0.6
55.05507	1.1
57.07058	0.7
59.04996	0.4
67.05507	2.0
69.03412	0.7
69.07058	0.9
78.03452	8.3
79.05475	1.7
80.05012	5.1
81.03407	0.6
81.07066	2.7
83.04974	0.5
83.08613	0.4
89.06020	0.5
91.05460	2.4
93.07041	3.1
94.06592	0.4
94.70123	0.3
95.04951	1.6
95.08595	3.1
96.03881	0.4
96.04489	6.9
97.02892	0.9
97.06532	0.6
98.08041	0.3
105.03349	0.6
105.07021	3.9
106.02910	25.4
107.04959	0.9
107.08596	2.5
108.04482	0.4
109.06502	1.0
109.10136	1.1
111.04397	0.6
117.07023	1.3
119.08568	6.0
121.06506	0.8
121.10143	2.3
123.08079	1.1
124.03944	100.0
125.02327	0.5
125.04300	1.5
127.01508	0.4
127.03901	0.8
128.06212	0.6
129.07027	0.8
130.07759	0.5
131.08559	3.0
133.06528	0.7
133.08614	0.5
133.10118	5.1
135.08029	2.1
135.11668	0.8
137.09633	0.5
138.05496	14.9
139.03854	0.8
142.07764	1.1
143.03439	0.4
143.08591	1.8
145.10114	6.8
147.08052	1.0
147.11699	1.8
149.09583	1.3
149.13268	0.4
153.12723	0.5
155.08568	1.3
156.09361	1.5
157.10121	3.4
158.10858	0.7
159.08023	0.7
159.11684	4.9
161.09628	1.4
161.13220	0.8
163.07649	0.6
163.11150	0.6
166.04970	0.4
167.08583	0.4
168.09222	0.5
169.10094	1.6
170.10901	1.4
171.08092	0.7
171.11665	2.8
172.12372	0.7
173.09677	1.6
173.13242	2.8
174.14027	0.7
175.11176	0.8
175.14819	1.4
177.16432	0.4
179.08508	0.7
181.10101	0.9
183.11694	2.7
185.09615	0.5
185.13275	1.9
185.15205	0.4
187.11165	1.3
187.14812	8.6
188.15469	1.0
189.12738	0.8
195.11664	1.4
197.13249	1.5
198.13982	2.0
199.11145	0.9
199.14795	2.0
201.08997	0.5
201.12738	0.8
201.16449	0.5
203.14342	2.0
205.15790	0.8
207.11676	0.6
209.13263	1.2
211.14767	1.0
213.16412	0.6
215.10432	0.5
215.14359	0.6
216.15108	2.0
217.15826	0.9
222.14151	0.4
223.11340	0.6
223.14862	1.3
227.14236	0.5
237.16447	1.1
239.17972	0.5
241.15891	1.0
247.09592	0.6
255.17441	1.0
265.15912	1.6
267.17422	0.5
269.15305	0.5
281.14227	0.6
283.14056	0.4
283.16913	2.5
287.16461	2.2
293.15164	0.4
301.14838	0.4
301.17935	1.6
310.17984	0.7
311.16342	6.8
329.17435	8.2
347.18546	0.7
371.18152	0.5
434.19547	2.7
452.20609	1.5
494.21609	1.5
512.22675	3.3
552.05396	0.4
554.23535	1.7
572.25513	4.0
573.26184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80712	0.1
53.03934	0.1
53.39881	0.1
56.53910	0.1
65.03939	0.4
65.04220	0.1
66.21220	0.1
66.22557	0.1
67.05481	0.2
69.86475	0.1
69.86795	0.2
78.03432	0.2
79.04221	0.1
81.07024	0.1
88.35857	0.1
92.04996	1.4
93.05775	0.3
93.07051	0.1
93.81117	0.1
94.06562	4.6
95.04976	0.2
96.04488	0.8
105.03382	1.7
105.04472	0.1
105.07057	0.1
106.92487	0.1
110.06038	3.3
138.05492	100.0
139.05832	1.0
145.34106	0.1
154.05019	0.2
156.76402	0.1
196.23875	0.1
198.09114	0.2
208.29601	0.1
242.08128	0.7
270.28403	0.1
572.26385	24.4
573.26611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06288	1.1
53.03942	2.5
55.05515	1.9
57.60406	1.1
62.86044	1.0
67.05499	4.3
67.99142	1.2
69.03416	3.9
69.07055	3.3
69.10625	2.9
69.11031	4.5
72.97732	1.2
75.07056	1.3
77.03924	1.5
79.05486	3.7
81.03415	9.3
81.07059	5.7
83.04992	1.7
83.08640	1.3
89.94621	1.1
90.72990	1.1
91.05484	7.6
93.07027	9.6
95.04951	11.9
95.08602	9.0
97.02882	7.7
97.06530	2.1
98.23434	2.4
103.05454	1.3
105.03383	50.4
105.04432	5.7
105.07021	12.7
106.07312	1.1
107.08582	6.5
109.02798	1.3
109.06518	3.6
109.10168	2.1
111.04441	2.3
115.05412	1.2
117.07032	4.0
119.08578	17.2
120.76337	1.1
121.05642	1.2
121.06513	3.6
121.10136	3.5
123.08046	2.8
125.05926	2.2
127.03893	5.5
129.06978	2.0
130.07776	1.3
131.08524	9.5
133.10110	9.9
135.08064	5.5
135.11652	1.1
141.07013	2.0
142.07735	2.7
143.08487	5.9
145.06433	1.4
145.10103	19.4
147.08076	3.2
147.11668	8.9
151.07524	1.4
153.06947	1.3
155.08578	4.8
156.09312	5.5
157.10121	13.4
158.10863	1.5
159.08070	4.6
159.11661	11.7
160.08864	1.3
161.09612	2.6
161.13222	1.6
165.07051	1.5
167.08583	2.6
168.09404	1.7
169.10150	9.5
170.10890	8.2
171.08043	1.3
171.11658	13.1
172.08835	1.8
172.12434	2.4
173.09579	9.9
173.13251	8.4
175.11185	4.2
175.14838	1.8
176.64293	1.2
179.08543	2.6
181.10132	5.7
182.10889	2.6
183.11652	12.1
184.12469	1.9
185.09613	4.1
185.13229	13.2
186.10439	2.6
187.11174	8.8
187.14789	23.1
188.11990	3.7
189.12817	3.8
192.09346	1.6
193.08652	1.3
193.10095	6.3
194.10913	2.7
195.11679	5.3
196.12434	4.5
197.09674	2.1
197.13216	9.8
198.13924	2.3
199.05971	1.4
199.11212	2.1
199.14819	2.2
201.12717	6.9
201.16490	1.3
203.10605	2.5
203.14223	1.9
207.11650	7.4
209.09773	1.3
209.13292	4.0
210.13962	1.8
211.11220	4.5
211.14784	21.5
213.16379	3.9
215.10779	1.7
215.14270	13.6
216.14961	1.3
220.12538	3.9
221.13260	5.0
223.14806	2.7
224.12120	1.5
225.12848	3.6
225.16364	5.5
227.14293	1.4
229.12280	1.8
229.15825	10.0
231.10153	7.1
234.13985	2.3
235.14845	8.9
239.14435	1.9
239.17987	3.0
249.16350	5.5
253.12270	4.2
253.15907	4.1
255.13705	1.8
257.11731	3.9
267.17310	5.2
269.15344	1.7
271.13309	2.2
271.16858	3.0
277.15857	1.6
280.14462	2.0
285.14868	7.1
285.18488	4.6
295.16895	19.1
313.17944	84.8
314.18326	2.1
331.18918	3.8
373.20041	100.0
374.20349	2.7
572.28394	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	572.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01860	1.3
55.05516	3.7
57.07075	0.7
60.57177	0.6
61.51333	0.7
65.03933	2.5
65.96526	0.5
67.05502	25.4
67.05865	1.4
69.03410	4.1
69.07056	2.2
69.59421	3.0
70.06563	0.6
70.21003	0.7
71.04990	7.2
77.03941	1.6
78.47711	0.7
79.05493	7.9
81.07053	15.8
83.04960	4.1
83.08594	0.8
85.02893	1.5
85.06542	1.5
91.05476	12.7
93.07039	11.7
95.04964	16.7
95.08611	7.3
96.65775	0.8
97.02885	17.6
97.06529	3.2
97.10139	0.7
103.05434	1.0
105.03387	34.9
105.04423	3.4
105.07018	12.6
105.07721	0.7
107.08598	6.8
109.06506	5.4
109.10138	2.8
111.04433	6.1
111.08057	3.8
113.06017	4.8
115.05465	1.7
117.07011	5.2
119.04931	1.6
119.08574	64.1
121.06484	2.2
121.10107	3.0
123.04428	6.1
123.08093	2.8
124.03915	0.9
125.06004	1.0
127.07570	1.0
128.06213	2.0
129.05528	0.9
129.06993	3.0
130.07738	1.4
131.08557	10.2
133.06483	1.0
133.10107	9.4
135.08063	4.8
135.11656	1.2
137.05959	2.3
137.09601	2.8
139.07536	2.8
141.05444	17.1
141.06979	1.9
142.07782	4.6
143.08554	10.9
144.09349	1.7
145.10115	13.3
147.08049	2.9
147.11682	3.3
149.02353	0.8
149.05951	2.0
149.09593	3.8
150.06287	0.8
151.07521	0.9
153.07040	1.3
153.09100	1.5
154.07735	0.9
155.07022	27.8
155.08527	7.5
156.09329	5.9
157.10112	19.4
158.10924	3.2
159.08043	2.8
159.11678	18.1
159.12955	1.2
159.17514	0.7
161.09592	4.0
161.13159	0.9
163.07498	0.8
163.11137	1.1
165.06911	1.5
165.09120	1.6
167.08554	4.3
168.09399	2.0
169.10103	19.2
169.11467	1.3
170.10905	8.1
171.11679	19.2
172.12361	1.3
173.09688	3.4
173.13249	19.7
174.13913	0.7
175.11154	3.3
175.14828	0.8
177.09070	2.0
177.12727	1.3
178.07794	1.1
179.08498	3.5
180.09335	2.6
181.08568	1.9
181.10117	5.1
182.10905	4.4
183.11655	13.6
184.12456	5.1
185.09663	6.0
185.13240	10.9
186.10333	2.1
187.11198	2.9
187.14812	1.8
189.09114	1.2
191.08635	0.9
192.09337	3.2
193.10107	8.9
194.10959	4.0
195.10106	1.2
195.11674	9.6
196.12428	4.1
197.09555	1.4
197.13242	30.5
198.13928	1.7
199.11198	1.4
199.14830	2.2
201.12743	11.6
202.13402	1.5
203.10648	1.5
203.14334	2.9
205.10138	3.1
206.10881	3.8
207.11664	10.0
208.12444	2.7
209.09593	1.1
209.13240	13.5
210.13998	1.8
211.11302	5.0
211.14798	14.9
213.11087	1.2
213.12827	0.9
215.10730	1.4
215.14313	3.1
219.11758	4.6
219.13539	0.9
220.12450	22.6
221.13263	7.7
222.13924	1.0
223.11295	1.3
223.14792	6.9
225.12924	3.5
225.16330	12.7
227.14218	1.0
234.13971	6.0
235.14789	40.4
236.15417	1.6
237.12697	2.3
238.13461	1.4
239.10614	1.1
239.17909	3.3
247.10933	0.8
249.16351	12.4
251.14267	1.3
251.17963	1.0
253.12379	1.4
253.15848	15.2
255.14130	4.9
257.26697	1.5
259.14633	0.8
262.13477	2.1
267.17429	7.4
269.15399	2.3
271.16882	9.8
277.15781	6.7
280.14474	3.5
285.18546	3.5
295.16891	26.6
296.17316	1.0
303.19574	2.6
313.17953	100.0
314.18228	2.8
331.19019	20.6
341.10315	1.1
342.10406	0.8
343.10681	1.0
349.20102	2.3
373.20062	2.4
391.21161	1.4
450.24890	1.0
572.28143	15.4
572.34924	1.6
573.23816	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	572.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01852	4.3
55.05500	6.5
57.03428	3.6
57.07068	5.7
59.75834	2.0
61.02900	5.5
67.01855	2.3
67.05502	19.5
68.99770	5.3
69.03432	10.7
69.07064	10.3
69.52158	7.8
70.06584	17.5
71.04992	17.3
72.08131	5.3
79.05489	19.7
81.03418	4.3
81.07048	28.7
83.04961	4.2
83.08593	5.5
84.08149	4.2
85.02896	50.5
85.06547	4.2
86.09698	15.5
86.90919	2.9
87.04456	3.5
91.05474	9.6
93.07033	33.4
95.04969	3.4
95.08598	17.7
97.02887	17.7
97.06527	8.7
105.06975	2.4
107.08582	20.1
109.10149	7.0
111.04433	5.0
111.08071	2.0
117.06992	4.8
119.04951	6.5
119.08539	2.5
121.02861	41.3
121.03863	3.4
121.04006	4.6
121.06480	4.1
121.10094	3.8
122.03208	12.0
123.11675	3.1
125.05981	8.5
127.03922	8.1
127.07569	3.6
129.07011	3.5
129.10242	2.1
131.08533	5.1
133.10129	8.6
135.08008	4.6
135.11679	83.1
139.07545	6.5
145.04921	10.8
147.04405	9.4
149.11151	2.7
149.13167	11.7
151.03902	2.8
153.01813	18.5
153.12746	21.2
154.02251	3.1
159.11662	12.3
163.06003	3.6
169.15781	4.5
171.13744	2.9
177.12724	23.2
189.09045	2.7
195.13780	47.5
201.14835	3.3
207.04607	2.2
213.14824	43.4
219.10193	10.4
231.15892	66.9
245.11221	3.0
287.05276	5.4
337.03467	2.8
343.01035	3.0
361.02228	12.4
379.03473	4.2
419.07202	3.4
420.08002	9.5
446.05954	3.5
546.16614	2.4
551.25690	2.6
572.09003	100.0
573.08350	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	572.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01869	13.8
55.05497	4.8
57.03433	31.8
59.04996	4.5
61.02925	11.4
67.05499	5.8
69.03427	58.5
69.07066	26.9
69.40197	6.8
71.01337	5.5
71.04978	2.2
72.08141	1.9
73.02915	82.4
79.05482	1.9
81.03405	9.4
81.07058	2.0
85.02899	93.3
86.09692	3.0
87.04459	8.2
91.03944	3.0
95.04945	3.0
97.02885	100.0
99.04439	6.0
103.03944	3.9
105.01839	3.6
105.07002	2.5
107.04930	2.7
109.02871	9.1
111.04424	2.9
111.11713	13.7
115.03921	55.8
119.04932	2.2
121.02847	4.1
127.03908	30.9
133.04953	69.5
138.05482	10.2
143.03357	3.3
145.04951	39.0
147.04407	4.0
157.04956	6.8
159.02971	1.7
163.05994	19.7
165.05351	1.7
169.04941	6.2
175.06020	2.1
177.12747	2.2
181.04886	2.5
182.25566	1.5
193.04893	1.9
199.06017	2.9
211.05997	19.2
217.07132	2.7
223.06079	7.8
229.07083	14.9
241.07190	8.5
243.15839	3.3
247.08112	14.1
259.08075	19.1
265.09149	16.6
270.34225	1.6
277.09164	4.4
295.10242	13.3
297.04361	1.5
297.07471	7.1
332.08792	2.3
374.13739	2.1
391.99500	1.7
432.13559	2.2
450.15302	5.6
464.16742	6.7
510.17499	4.1
572.28406	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	572.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.7
55.05504	5.3
57.03176	2.5
57.03435	24.1
59.04995	3.0
61.02932	14.3
63.79203	1.6
67.05490	3.6
69.03069	3.1
69.03426	48.2
69.07066	28.2
69.85170	2.5
69.85547	2.8
71.01350	8.5
71.04971	2.0
73.02916	83.3
74.03231	2.4
78.32658	1.7
79.05475	1.9
81.03407	9.1
81.07014	1.8
83.04971	2.2
85.02902	79.6
87.04446	5.6
91.03944	1.5
91.05459	2.6
95.04958	1.7
97.02889	100.0
98.22747	2.6
99.04446	5.1
102.05556	1.4
103.03951	4.7
105.07045	2.0
107.08614	1.7
109.02859	6.3
111.04436	4.0
111.11718	11.8
113.02219	1.6
115.03115	3.1
115.03926	53.5
119.08501	1.7
121.02836	1.8
121.10131	1.5
123.04366	1.9
127.03924	33.9
133.04962	71.2
135.04355	2.3
137.05933	1.7
138.05487	4.7
139.03911	3.5
143.03430	2.5
145.04951	32.2
147.04417	7.4
147.44287	1.5
153.01836	4.2
155.07051	1.7
157.04947	5.8
158.23692	1.5
163.03914	2.1
163.06017	17.8
169.04933	4.5
175.06021	1.7
193.04955	3.8
198.20598	1.4
199.05954	3.7
211.05989	18.5
217.07021	3.5
223.05997	7.0
225.14751	1.9
228.05597	1.7
229.07050	15.0
241.07124	9.2
243.15948	4.0
247.08122	12.7
259.08148	19.4
265.09201	17.1
273.65027	1.9
277.09207	2.7
295.10226	17.2
297.03885	2.4
300.05103	2.8
316.01929	1.4
361.40094	1.6
446.08481	2.5
452.06082	6.7
572.11005	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	573.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.3
67.01846	0.3
68.99784	0.7
69.03412	0.2
69.37811	0.7
81.03400	0.2
86.09710	0.1
91.05492	0.3
95.04915	0.2
95.08575	0.2
97.02871	0.2
105.06987	0.2
111.04391	0.4
119.04924	0.5
121.02865	8.3
121.03899	0.7
133.10056	0.2
135.04454	0.1
140.39507	0.1
145.02820	0.4
147.04407	1.5
153.01831	5.5
153.03076	0.3
154.02185	0.2
163.03912	0.6
171.02940	0.3
171.04396	0.2
173.05977	0.4
175.03827	0.3
183.04417	0.4
185.02370	0.3
187.03847	0.2
189.01807	0.4
191.03333	0.2
199.03915	0.2
201.02000	0.1
201.05440	0.4
201.54279	0.2
203.03404	1.1
207.02866	0.6
211.03931	0.6
213.01793	1.5
227.03404	0.9
229.04955	0.8
231.02887	3.3
239.03329	0.8
241.01305	0.9
243.02864	0.4
245.04427	0.1
253.05008	0.2
255.00583	0.1
255.02831	0.8
257.00821	0.6
257.04413	1.2
259.02383	5.2
267.02847	0.3
273.03937	2.2
283.02377	0.2
285.03928	2.8
286.04416	0.2
287.01852	18.8
288.02292	0.4
297.07605	0.4
331.06186	0.2
345.07138	0.2
349.06818	0.3
359.05603	0.7
360.06088	0.2
373.07050	0.4
376.05777	0.2
377.06464	0.6
379.96506	0.1
395.07516	0.5
396.98376	0.2
403.08051	0.5
404.05188	0.2
405.06027	100.0
406.06351	4.4
411.28888	0.2
421.09131	3.1
422.09546	0.2
447.07089	0.5
453.04883	0.3
573.10217	11.8
574.10675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03889	0.5
67.01820	0.2
67.05444	0.3
68.99720	0.8
69.03423	0.9
69.03680	0.2
69.77386	0.5
69.77764	0.4
73.02847	0.2
77.67114	0.2
79.05444	0.4
81.03344	0.6
81.07014	0.4
81.07457	0.2
83.04890	0.3
84.04422	0.7
85.02814	0.2
87.04388	0.7
89.05940	0.7
91.05404	0.9
93.06980	0.3
93.65298	0.2
95.04900	0.4
95.08549	0.2
96.04420	0.5
97.02816	0.3
99.05458	0.2
105.06950	0.6
107.04883	0.2
108.04381	0.3
109.06464	0.3
110.05955	0.6
111.04420	0.5
112.02174	0.3
113.05946	0.2
117.06952	0.3
119.04934	1.2
119.08497	0.5
121.02858	7.8
121.03797	0.5
127.01482	0.3
131.08505	0.2
133.08519	0.4
133.10103	0.3
135.04382	0.3
135.08060	0.2
136.03883	0.3
136.06096	0.2
138.05486	2.9
139.01437	0.2
139.05743	0.9
140.01611	0.5
141.06921	0.2
142.03136	0.4
142.04895	0.6
143.08528	0.5
145.02808	0.5
145.06450	0.3
145.10095	0.5
147.04419	2.4
147.11650	0.2
153.00652	0.2
153.01822	4.4
154.03143	0.7
157.10042	0.6
159.07994	0.2
159.11661	0.3
161.05864	0.3
163.03804	0.7
169.01283	0.3
169.10025	0.2
171.11591	0.3
173.05835	0.2
173.09515	0.3
175.03816	0.9
177.05481	0.2
179.08469	0.3
181.10054	0.3
183.04451	0.3
183.11531	0.3
185.02292	0.2
187.11102	0.5
189.01729	0.3
189.05263	0.3
193.05940	0.2
193.10054	0.3
199.11102	0.2
201.12756	0.2
203.03354	1.2
207.02760	0.4
207.06476	0.9
208.06801	0.4
209.13147	0.3
211.03850	0.5
211.07088	0.5
211.11115	0.2
213.01807	1.4
227.03293	0.5
229.04893	0.8
231.02870	3.0
239.03268	0.8
241.01236	0.8
249.12485	0.2
255.02884	0.5
255.13771	0.4
257.00723	0.6
257.04037	0.9
259.02386	4.7
267.02924	0.3
273.03824	1.7
273.14978	1.1
285.03842	2.7
286.01160	0.3
287.01849	18.3
288.02182	0.5
293.15292	0.2
303.06686	0.2
331.05954	0.3
349.06976	0.4
359.05402	0.7
361.12619	0.5
373.07007	0.3
377.06473	0.8
403.08221	0.4
405.06021	100.0
406.06372	5.0
421.09070	2.8
447.07144	0.5
452.18723	0.5
470.20129	1.2
498.19211	0.3
555.22418	0.3
572.31647	0.4
573.10266	8.6
573.24640	0.8
574.10602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19628	3.1
70.06587	35.2
72.08160	9.0
84.04491	3.3
84.08144	21.3
86.09713	5.2
129.10263	10.6
169.01231	3.5
173.19559	3.1
201.12447	3.0
221.02126	18.6
305.44678	2.9
383.07324	4.7
384.07788	5.0
409.09366	5.7
411.09387	3.0
413.08548	7.4
427.10284	3.7
443.09470	5.6
472.12137	32.9
529.14032	14.6
573.14362	100.0
573.32489	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	573.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01862	2.9
55.05499	3.0
57.03426	1.0
58.99572	2.1
60.04522	1.0
61.01136	1.2
65.03947	2.2
67.05502	6.1
68.05021	3.2
68.99804	1.1
69.03424	14.6
69.07064	0.9
70.04074	2.4
71.01374	1.1
71.04979	1.1
73.01128	2.2
74.00652	1.4
76.04006	1.1
79.05505	5.1
80.05004	4.6
81.03417	11.9
81.07059	5.8
82.06572	5.0
83.04990	4.3
84.04019	1.2
84.04504	18.5
85.01111	1.4
85.02914	1.6
86.00611	1.4
86.06049	1.0
87.02673	1.7
88.02199	2.3
88.03968	2.2
91.05484	9.4
93.07033	5.3
95.04974	6.3
95.08589	2.7
96.04472	10.5
97.02866	0.9
97.06497	1.1
98.00652	1.6
98.06043	1.4
99.02660	1.2
100.02209	1.7
100.11254	1.3
101.00605	1.8
103.05474	1.5
105.07019	8.3
107.04945	3.9
107.08577	4.0
108.04472	8.4
109.06522	4.1
110.06044	12.1
111.04429	3.6
112.02197	9.7
112.07630	1.2
113.00570	2.9
113.06001	5.8
114.03738	2.3
114.05503	4.2
115.02139	2.9
115.05441	2.7
116.01667	2.7
117.07009	5.2
119.04957	4.3
119.08585	9.6
121.02853	14.0
121.03997	1.5
121.06486	4.5
121.10112	2.1
122.06020	1.0
123.04417	1.0
123.08041	1.8
124.03945	1.8
126.01154	1.6
126.03725	1.5
126.05532	2.1
127.03916	1.0
128.01717	0.8
128.06218	2.6
129.07021	5.2
130.04993	1.5
130.07791	1.2
131.04912	2.5
131.08551	6.9
133.06494	3.9
133.10135	4.8
135.04492	1.2
135.08022	2.4
135.11691	1.0
136.03932	11.1
137.06020	2.0
137.07091	2.6
138.05461	4.3
140.01648	12.3
141.06999	3.1
142.03241	12.8
142.04968	10.4
142.07759	5.1
143.08557	9.1
144.04768	1.0
145.06488	6.4
145.10121	11.4
147.04405	8.1
147.08025	3.8
147.11687	2.3
148.07571	1.2
149.09554	1.1
150.05478	1.0
153.01845	7.3
153.06920	1.7
154.03200	19.3
154.07745	1.6
155.08504	6.2
156.04730	1.4
156.09348	3.5
157.06503	1.1
157.10136	10.9
158.07300	1.5
159.08025	6.8
159.11644	7.1
161.04184	1.1
161.05923	1.0
161.09612	4.5
163.11148	3.8
165.06992	4.3
166.03195	1.1
166.07762	2.1
167.08536	4.1
168.02950	0.9
168.09291	3.4
169.10103	7.1
170.02713	2.8
171.02727	1.1
171.08063	2.8
171.11720	4.3
172.08832	1.3
173.09613	10.1
173.13322	1.6
174.02228	2.5
174.10416	1.1
175.03932	1.3
175.11122	2.4
178.03073	0.9
179.08543	3.7
180.09238	1.8
181.06517	1.8
181.10092	5.5
182.02661	3.5
182.10971	1.1
183.05885	1.9
183.07889	2.5
183.11670	9.4
184.04286	1.2
185.09581	3.1
185.13321	2.4
187.11185	11.8
189.01923	1.0
189.03659	1.3
191.08492	1.9
192.09294	2.3
193.06046	4.4
193.10112	3.3
194.10829	2.4
195.08116	1.4
195.11647	4.7
196.08760	1.6
197.09595	2.5
197.13283	2.3
198.05856	3.7
199.11134	2.7
200.03789	1.8
201.12740	4.3
203.08582	1.4
203.14384	4.1
207.06425	1.5
207.11728	4.3
209.05676	1.1
209.09720	1.7
209.13251	3.8
211.07140	12.2
211.11174	6.8
213.01881	2.2
213.08891	2.0
213.12743	1.5
215.03111	1.2
215.08775	1.2
218.08101	1.1
218.11032	1.1
219.11702	2.0
221.13356	1.2
223.11270	1.6
224.07462	1.5
225.12672	2.4
227.14391	2.4
229.06607	2.2
229.12321	2.2
231.02905	3.2
231.08257	1.2
231.11720	1.7
233.13225	1.9
234.10643	1.1
235.11134	2.2
237.12743	3.5
239.04984	1.0
241.01404	1.0
241.12369	0.9
243.04251	1.3
245.09830	0.9
249.12746	3.1
251.14201	1.1
253.15884	0.9
255.13808	8.4
257.00549	1.0
257.06082	11.1
259.02426	5.4
261.12717	0.9
265.15875	1.6
273.03992	2.0
273.14835	27.8
274.15134	1.0
275.14154	2.4
285.03650	2.2
287.01794	19.5
293.15353	3.8
301.08594	1.3
303.13477	1.2
311.16522	4.3
325.12372	1.1
329.17496	1.4
341.15451	1.1
342.15347	1.0
351.14157	2.5
360.16312	1.8
361.14255	3.1
369.15240	5.2
387.16183	3.3
388.15594	1.1
395.07877	1.1
404.07721	5.2
405.05969	100.0
406.06198	6.5
407.37796	0.9
408.16415	1.5
421.09280	3.4
434.17889	6.9
435.16666	1.0
447.07938	1.2
452.18820	16.2
453.17792	1.2
470.19968	32.6
471.20068	2.7
480.18271	1.6
498.19229	5.7
529.25745	1.3
537.20465	1.3
555.21350	3.7
573.10736	10.3
573.21967	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	573.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
58.88288	0.1
65.03922	0.5
66.17547	0.1
67.05464	0.1
70.96530	0.1
72.00191	0.1
77.16460	0.1
78.03454	0.2
79.04160	0.1
81.07032	0.1
84.14083	0.1
89.06018	0.1
92.04988	1.4
92.46510	0.1
93.05762	0.4
94.06554	4.4
95.06854	0.1
96.04490	0.6
106.02897	0.3
110.06028	3.0
124.03931	0.3
138.05484	100.0
139.05815	1.2
142.66606	0.1
154.04939	0.1
243.07625	0.2
310.21002	0.1
327.04022	0.1
525.87982	0.1
573.25885	11.2
574.26276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.0
53.03931	0.1
65.03930	0.5
66.03449	0.1
67.05495	0.3
69.03419	0.1
69.07081	0.0
69.20664	0.1
69.21071	0.2
73.10688	0.0
76.02225	0.1
78.03453	0.5
79.03817	0.0
79.04228	0.1
79.05495	0.1
81.03424	0.1
84.04475	0.0
85.02851	0.1
91.05457	0.1
91.83008	0.0
92.04439	0.1
92.04996	1.2
93.05751	0.4
93.07012	0.1
94.06559	5.1
95.08572	0.0
96.04493	0.9
98.22657	0.1
100.53911	0.0
105.02014	0.0
105.07036	0.1
106.02251	0.1
106.02902	0.7
108.04519	0.1
109.06478	0.0
110.06031	4.3
119.04935	0.1
119.08559	0.1
121.02848	0.1
124.03930	0.1
133.10132	0.1
136.03949	0.1
138.05486	100.0
138.28984	0.1
139.05836	1.2
142.07819	0.1
143.08522	0.1
145.10101	0.1
147.04391	0.2
153.01810	0.1
154.03526	0.0
154.04886	0.2
157.10173	0.1
159.11694	0.1
170.10896	0.1
198.13951	0.0
199.08667	0.1
207.11713	0.0
243.07642	0.5
273.14856	0.1
287.02148	0.1
297.14914	0.0
325.14307	0.1
361.12964	0.0
389.44495	0.0
405.05927	0.2
470.19528	0.1
562.62482	0.0
573.25885	18.3
574.26093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.1
60.05630	1.2
65.03968	0.7
67.05483	1.0
78.03445	0.8
79.05487	1.3
80.05023	4.0
80.05408	0.7
81.07042	1.5
91.71600	0.7
93.06988	0.7
94.68346	0.9
95.08610	0.8
96.04493	2.6
101.51855	0.7
101.81581	0.9
103.23872	0.8
105.03397	0.7
110.05997	1.1
119.08621	1.0
124.03944	100.0
125.04301	1.9
128.39076	0.8
137.05957	1.1
138.05493	16.1
139.05840	2.0
145.10165	0.8
189.10532	0.8
196.56587	0.8
198.70784	0.7
231.49968	0.8
313.17950	1.9
340.35410	0.7
416.53677	1.1
436.78625	0.7
573.26135	3.0
573.48785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3034
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.60408	2.0
55.05513	3.5
57.03435	4.1
57.07079	22.4
67.05503	8.8
69.07081	5.5
69.10364	13.7
70.06604	2.6
71.08634	16.5
78.85923	1.9
81.03424	4.7
81.07053	7.5
83.08616	6.6
85.10171	13.7
88.07618	3.0
89.06039	3.1
92.99784	2.1
95.08612	11.5
97.10191	3.3
98.23640	1.9
98.98462	27.0
102.09119	2.0
102.61809	2.6
107.81599	2.2
109.02891	2.8
109.10130	5.4
110.32340	2.1
111.11737	1.7
119.28297	1.8
131.04929	5.4
138.05431	1.8
155.01050	27.2
156.72401	2.7
216.08342	1.9
239.23769	3.2
243.17650	2.3
256.26385	31.8
256.52338	1.9
284.29187	2.2
309.58469	2.2
313.27368	100.0
317.06104	4.0
340.34277	1.9
393.23978	5.2
411.02179	2.4
488.39050	2.2
537.28510	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	574.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	2.0
60.25373	1.3
64.42113	1.2
65.03915	1.4
68.99788	65.5
70.02962	2.9
70.06579	4.2
72.08159	4.2
79.07758	1.2
83.03702	2.2
84.04496	2.7
84.08176	1.3
85.02901	3.0
85.44456	1.2
86.09695	5.1
87.48553	1.1
91.05486	7.7
91.05981	1.5
92.99773	1.6
93.07021	2.0
95.01295	2.3
98.22701	2.9
102.05517	1.7
107.04914	1.7
109.02910	1.2
111.03174	8.6
112.03897	2.0
119.04932	15.8
120.05286	2.4
121.06497	39.7
127.03899	2.0
138.01854	12.0
139.00256	9.5
139.02623	3.2
140.03421	19.5
145.30319	1.2
147.04407	49.3
148.04745	11.1
156.02875	2.1
157.01328	1.7
158.37129	1.2
163.00235	2.1
165.01788	3.0
166.01335	22.6
166.99927	9.9
167.02139	44.0
167.07034	1.8
168.02917	100.0
169.01332	1.8
178.01323	3.4
184.02396	6.0
185.00813	71.5
185.03198	22.5
192.02962	2.1
193.03711	1.9
194.00830	9.7
194.99234	1.9
212.01909	17.8
213.00301	6.7
213.02151	2.0
213.05482	1.9
214.00642	2.5
220.02350	3.7
221.00812	2.1
231.06535	4.3
237.00349	1.8
241.04939	4.7
246.98734	3.5
247.99117	3.1
248.01587	2.1
258.07574	6.1
259.06015	6.5
264.83417	1.4
264.99866	2.5
272.02020	1.6
286.07108	18.3
287.05438	73.7
287.08005	26.7
288.01410	3.9
288.05896	2.8
288.08636	44.9
289.07056	1.5
297.99707	3.8
298.98227	4.7
314.06604	13.4
316.01016	8.7
316.04364	1.9
316.99319	4.1
334.01807	1.8
352.03012	2.1
361.02304	1.7
362.02512	1.7
368.04819	1.4
380.03629	1.8
390.06259	1.7
398.36224	1.5
408.06693	1.9
418.05585	4.5
436.06543	10.0
454.07016	2.0
510.11212	2.0
528.12988	1.6
538.11255	2.2
574.09296	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	574.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65540	0.9
54.03463	1.6
55.01870	1.5
55.55635	1.1
65.03896	1.2
68.99786	64.5
69.03423	2.4
69.07066	4.4
69.23019	7.0
70.02936	3.1
70.06588	5.7
72.08150	2.5
78.26105	1.1
80.01350	1.5
81.03394	2.0
83.03699	2.1
85.02895	4.7
86.09708	6.3
87.00788	1.2
91.05469	4.3
92.56393	1.0
93.07025	2.5
94.32578	1.1
95.01350	3.1
95.04953	1.6
97.02877	3.7
98.02416	1.4
102.05582	1.1
103.05420	1.4
105.01867	1.6
107.04959	2.6
109.02853	1.9
110.02410	3.4
111.00800	2.2
111.03181	6.5
111.11697	2.4
112.03979	2.3
115.03893	1.2
119.04935	8.6
121.02957	1.1
121.06499	37.2
123.00802	1.1
126.01849	2.1
127.01482	1.2
127.03899	2.8
129.10233	1.9
129.12833	1.3
138.01845	13.3
139.00275	11.8
139.02626	2.6
140.03418	21.3
147.04405	30.8
148.04761	3.1
151.03871	9.7
157.01346	1.4
164.03500	1.4
165.01804	2.6
166.01349	19.5
166.99948	8.0
167.02130	48.2
168.02917	100.0
169.01306	4.7
178.01346	2.4
181.04936	9.8
182.00780	1.6
184.02451	6.4
185.00803	71.6
185.03188	25.9
194.00842	7.9
206.00873	2.3
212.01888	23.5
213.00311	1.5
220.02362	3.2
230.00795	2.1
231.06595	2.1
232.02301	1.5
241.04932	6.8
248.01830	2.2
258.07480	6.4
259.06030	6.5
285.36966	1.2
286.07089	17.3
287.05429	69.4
287.07974	29.8
288.01437	3.6
288.05917	2.2
288.08612	36.6
297.99905	5.2
298.98071	6.6
314.06552	16.0
316.00812	7.7
316.99216	3.8
334.01685	2.1
352.02924	2.3
390.06015	2.0
392.75925	1.3
408.06894	1.6
414.89526	1.2
418.05673	1.5
436.06570	11.6
454.07452	4.7
510.11783	3.1
526.74280	1.4
538.10602	2.3
556.12195	1.7
575.16956	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	574.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03458	2.2
57.03426	2.0
65.03943	1.6
66.71281	1.3
68.99786	73.6
69.03419	3.4
69.07053	8.2
69.14622	1.6
70.02930	4.1
70.06580	5.9
72.08148	1.8
72.18822	1.3
73.02895	1.5
81.03413	1.3
83.03694	2.1
84.08124	1.8
85.02892	6.1
86.09715	7.7
87.00818	2.9
91.05473	5.1
93.07011	2.1
95.01321	2.2
95.04999	1.7
97.02872	4.1
98.02381	2.2
105.01871	2.5
107.04916	2.7
109.02885	2.1
110.02362	2.7
110.14528	1.4
111.03194	7.8
111.11695	3.2
112.03918	2.1
115.03896	1.4
119.04937	11.2
121.06503	35.7
127.03909	3.4
129.12727	4.6
138.01834	13.5
139.00281	9.6
139.02631	2.8
140.03429	19.7
140.54359	1.5
147.04387	31.4
147.13824	2.1
148.04703	2.0
151.03902	17.3
165.01741	1.8
166.01347	19.7
166.99783	6.5
167.02130	43.0
168.02913	100.0
169.01324	2.7
173.05928	1.4
178.01292	2.4
181.04913	9.5
184.02415	4.8
185.00801	66.9
185.03189	24.3
185.05777	1.7
192.02855	1.5
194.00841	7.2
196.02426	1.8
201.59041	1.5
206.00699	1.5
206.04616	1.5
209.05981	1.5
212.01874	23.8
220.02400	3.1
229.34726	1.8
231.06500	2.4
241.05055	3.3
258.07605	6.3
259.06018	5.0
262.10986	1.4
286.07059	18.8
287.05423	57.4
287.07974	25.0
288.01563	3.1
288.05453	3.1
288.08633	42.7
297.99756	5.3
298.98093	3.6
313.60587	1.5
314.06573	13.2
316.00851	10.6
316.99084	4.2
352.02850	2.2
371.75043	1.4
408.06909	2.2
436.06461	7.9
454.07864	3.7
510.11426	3.0
538.11340	1.9
575.16461	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	574.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
57.07065	0.5
67.05514	0.6
68.99789	0.9
69.06535	0.5
69.13609	2.9
85.02881	0.9
87.80508	0.6
91.05467	9.0
93.07045	2.0
95.04961	3.3
103.05460	4.0
105.03397	1.3
105.04507	0.9
106.14686	0.6
110.02396	4.3
113.02380	4.5
119.39643	0.6
121.06493	100.0
122.06831	1.2
125.30627	0.6
126.01096	0.8
131.04913	13.3
152.03404	2.3
163.07556	0.8
167.02090	0.6
168.02873	0.9
178.01357	6.0
180.02866	1.6
192.02931	0.9
196.02480	2.8
199.03883	0.8
203.46933	0.5
215.58411	0.5
220.02368	6.8
230.00815	1.4
238.03329	1.2
240.06679	0.6
241.04913	2.2
248.01877	2.9
258.00455	1.9
262.03555	1.0
263.87854	0.6
276.01416	2.4
282.07581	7.7
284.09201	0.8
308.03937	6.1
324.08649	4.8
334.07162	1.6
342.09644	3.0
352.08197	2.8
362.06644	3.0
366.09592	0.9
380.07489	5.4
394.09116	1.9
398.08603	0.7
412.10223	19.4
413.10577	1.1
438.07834	2.6
440.54233	0.5
454.13162	0.6
500.12845	0.8
556.15918	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	574.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05646	1.0
65.03918	0.8
68.99789	1.6
70.13074	0.9
70.13383	1.1
74.26644	0.6
79.05496	1.3
91.05473	6.0
103.05470	4.3
105.04482	0.6
105.07020	1.6
107.04941	0.8
115.05460	2.8
117.05750	0.8
120.08026	0.7
130.06537	8.0
131.04938	7.5
132.05261	0.7
132.08089	1.3
140.04990	0.8
140.67857	0.7
142.06508	4.4
143.03487	0.7
144.04427	2.7
148.00439	0.6
154.06529	1.8
155.06053	1.4
157.05257	1.2
157.07587	1.6
166.01308	1.4
168.04356	1.4
169.07594	1.8
178.01343	10.6
179.06017	2.6
181.07588	4.3
192.03279	0.9
192.06836	0.8
193.07602	7.6
205.07480	0.9
205.09160	0.8
207.05484	4.4
208.02438	1.6
209.07085	4.9
220.06477	0.7
220.11192	7.5
221.07088	10.2
221.86295	0.6
222.05432	0.9
233.07143	1.9
235.05020	2.3
237.06573	1.2
243.09167	0.9
249.06540	8.8
253.06126	1.8
257.05603	1.8
259.12332	5.1
261.06723	1.5
266.03064	1.0
268.00754	1.5
270.07672	0.8
277.06039	5.5
282.07632	4.5
287.04532	1.8
289.06030	1.6
293.05624	3.1
294.07983	0.7
295.07068	1.1
305.05502	18.5
307.06989	0.9
323.06595	74.7
324.07019	1.9
352.08249	1.2
367.10684	1.3
372.11813	0.9
397.11618	0.9
409.11801	100.0
410.12216	4.6
411.13498	1.7
420.97427	0.7
438.08054	1.0
568.63092	0.7
574.19043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01868	4.9
57.03424	2.6
61.02921	2.7
68.99791	9.1
69.03419	13.1
69.89008	2.1
69.89338	1.1
70.06554	1.5
71.04980	3.4
73.02898	2.6
79.05481	1.1
79.57964	0.8
81.03410	15.0
85.02404	1.7
85.02904	28.4
85.03416	1.8
87.00825	11.9
90.79205	1.0
94.94293	1.1
95.04993	1.4
97.02887	13.3
99.04446	16.7
100.23933	0.9
103.05417	2.4
105.01862	7.5
105.06992	1.4
109.01185	1.0
109.02865	12.4
109.06498	1.2
117.01862	1.7
121.06452	1.2
127.03906	19.6
128.06235	2.1
129.01846	1.9
129.07002	1.4
131.04933	4.0
131.08640	0.8
133.06456	1.2
138.01871	3.8
138.13092	0.9
140.03464	1.1
143.08543	2.8
145.04959	6.8
145.06505	1.5
147.02921	0.8
147.04367	1.6
151.03902	3.4
157.06485	1.4
159.02826	6.3
159.08008	1.0
160.08794	0.8
161.06006	2.2
166.01389	4.5
167.02182	1.3
167.07104	1.2
168.02899	10.8
171.06775	1.0
171.07983	4.9
174.06741	2.3
175.07536	2.3
178.02623	1.1
181.06500	1.8
183.06506	3.2
185.00769	7.6
185.05956	0.9
187.03914	4.1
189.03979	1.0
189.05481	5.4
189.09105	3.0
193.05003	1.7
196.03635	6.0
197.08040	2.7
199.07530	8.7
202.06241	1.2
203.07108	2.8
203.10638	4.1
205.08472	1.7
206.05630	1.3
207.06367	2.0
208.07286	1.0
211.05994	57.2
216.07806	1.0
217.08623	8.5
221.08069	5.4
222.08849	2.1
225.05304	1.1
227.06961	5.2
231.04988	2.7
231.10141	11.4
233.08090	3.6
234.08849	1.8
235.09639	10.5
245.08125	1.3
248.10449	2.1
249.11229	3.2
256.06104	2.2
256.20895	1.1
257.04327	1.3
259.09686	8.3
263.12766	27.3
270.07706	6.1
271.05927	3.9
273.11203	1.9
277.10687	2.7
284.05423	3.7
285.03735	1.9
285.06323	10.4
286.07037	1.1
291.12247	100.0
292.12540	4.1
302.06500	2.3
303.07346	1.9
304.08038	4.1
309.13284	86.9
310.13565	2.6
357.03671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
57.61522	0.7
60.45043	0.8
65.03925	2.4
67.05495	2.0
69.03427	2.8
69.07051	1.1
70.10364	2.3
81.03408	7.2
84.94049	0.9
85.02907	3.8
93.03381	2.2
93.06335	1.0
96.09136	0.9
97.02895	2.8
98.23530	1.2
108.02098	1.6
108.62906	0.9
109.02878	2.5
110.03631	1.2
111.04443	3.1
125.05995	4.3
127.03913	2.5
127.61282	1.0
129.12711	1.4
141.05455	1.5
145.05055	1.2
151.03899	100.0
151.04979	6.6
152.04236	1.3
153.05426	1.0
167.07039	7.8
169.04950	11.6
177.05534	1.9
181.04933	18.8
199.04251	0.9
199.06003	2.2
230.07735	0.9
295.08121	7.0
313.09122	9.6
475.45316	1.1
573.73584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01849	0.5
60.53653	0.5
65.03954	2.6
67.05500	1.2
69.03415	1.7
69.07063	1.0
69.72220	1.5
70.06581	0.6
73.55887	0.5
81.03421	5.8
85.02930	3.1
85.83720	0.5
93.03405	2.5
95.04973	1.3
96.65253	0.5
97.02881	2.5
98.22796	0.9
105.01873	0.6
105.07066	0.7
108.02082	1.8
109.02887	2.3
110.03670	0.9
111.04439	3.6
121.04034	0.6
123.04346	0.8
125.05984	3.3
127.03901	2.0
129.12758	1.1
131.04939	0.7
137.05949	0.6
141.05522	1.3
145.04999	0.7
147.04414	0.9
151.03905	100.0
151.04984	7.0
152.04225	1.1
153.05484	0.6
167.07018	8.2
169.04961	12.0
171.06494	0.6
177.05460	1.5
181.04951	10.7
199.06000	1.0
209.08209	1.0
211.09683	0.7
231.05089	0.8
249.22192	0.5
250.60425	0.5
295.08099	5.8
313.09189	8.9
362.11288	0.8
388.63049	0.6
474.47473	0.6
533.96655	0.6
575.18085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
67.05495	0.4
69.28491	1.3
78.03436	1.2
79.05473	0.5
80.05013	5.3
81.07051	0.5
87.04455	0.4
89.05995	0.3
91.05476	0.7
93.07023	0.6
94.06566	0.4
95.04953	1.4
95.08558	0.2
96.04485	4.7
97.02823	0.2
98.22683	0.4
105.03381	10.5
105.04523	0.7
105.07009	0.5
106.02897	2.3
110.06071	0.3
110.81242	0.2
119.08578	0.7
121.10096	0.2
123.08044	0.4
124.03936	100.0
125.04274	1.0
127.01511	0.3
131.08571	0.5
133.10156	0.2
138.04384	0.3
138.05481	6.1
139.05836	1.5
140.03377	0.4
143.08511	0.4
145.10124	0.5
149.06015	0.6
149.09595	0.3
157.10091	0.5
159.11705	0.4
181.10092	0.3
183.11710	0.3
184.07631	0.3
208.93541	0.2
209.13303	0.2
223.14911	0.4
228.06612	0.5
269.15201	0.4
283.17252	0.3
311.16260	0.4
331.29819	0.2
334.99481	0.2
341.10101	0.5
382.80432	0.2
452.20755	0.4
487.17432	1.1
574.24243	21.2
575.22754	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	574.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03936	0.9
55.01870	0.1
55.05513	0.3
67.05493	0.7
69.03424	2.2
69.07058	0.3
69.22894	0.3
69.23280	0.3
73.78577	0.1
78.03447	1.4
79.04237	0.1
79.05476	0.7
80.05013	5.1
81.03412	16.4
81.07057	1.4
82.03757	0.1
83.04991	0.3
86.38866	0.1
87.04471	0.1
91.05473	1.1
93.07053	1.2
94.06589	0.2
95.01343	0.1
95.04971	0.5
95.08601	1.8
96.04487	4.0
97.02871	0.7
98.22636	0.2
99.04450	0.1
105.07023	2.1
106.02930	0.7
107.08585	1.2
109.02870	7.5
109.06522	0.3
109.10121	0.6
111.04439	0.3
111.08025	0.2
115.05453	0.1
116.79384	0.1
117.07009	0.7
119.04881	0.1
119.08565	3.4
121.06495	0.3
121.10141	0.8
123.08107	0.2
124.03942	100.0
124.64204	0.1
125.04287	0.9
127.03896	3.8
128.06194	0.4
129.07002	0.6
131.07755	0.2
131.08575	1.4
133.06552	0.1
133.10115	1.8
135.08015	0.4
135.11676	0.2
137.62003	0.1
138.05482	2.7
139.05820	0.8
140.03397	0.2
141.06973	0.4
142.07759	0.8
143.08568	1.5
145.06494	0.2
145.10098	1.9
147.08017	0.5
147.11673	1.4
149.09578	0.2
155.08582	0.5
156.09317	0.5
157.10109	3.4
158.10814	0.2
159.11674	1.7
161.09610	0.4
161.13235	0.4
165.07164	0.2
167.08530	0.2
168.09323	0.2
169.10191	0.7
170.10939	0.5
171.11664	1.2
173.09566	0.2
173.13260	1.4
175.11195	0.7
175.14851	1.7
177.16333	0.2
179.08496	0.2
181.10179	0.2
182.10899	0.1
183.11649	0.5
184.12544	0.3
185.13251	1.7
187.11156	0.3
187.14807	2.8
189.12727	0.2
189.16350	1.1
192.09265	0.1
193.10181	0.3
194.10982	0.1
195.11687	0.3
196.12416	0.1
197.13277	0.5
199.11115	0.2
199.14786	4.2
200.15169	0.1
201.12730	0.5
203.14293	4.6
205.15791	0.9
207.11647	0.2
208.12361	0.1
209.13242	0.2
211.11200	0.2
211.14717	0.2
213.12514	0.2
215.14352	0.2
217.15854	2.8
223.14789	0.4
225.12746	0.2
227.14293	0.7
237.12732	0.2
238.07019	0.5
239.17839	0.2
245.15359	0.4
249.16440	0.4
250.07053	0.4
252.08655	0.1
253.15878	0.2
265.15775	0.2
267.17413	0.4
271.13245	0.3
277.15915	0.3
295.16922	0.8
313.17899	0.6
331.19235	0.2
398.38788	0.2
436.21280	0.4
454.22223	0.4
574.26141	1.0
575.25146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03934	1.4
55.05497	0.8
65.03938	1.0
67.05516	2.6
69.03415	1.2
69.10104	3.1
71.04976	1.8
73.02905	0.6
78.03453	7.8
79.04188	0.5
79.05499	2.8
80.05020	3.6
81.03413	5.4
81.07059	2.6
83.04964	0.9
84.52351	0.4
87.04463	7.7
89.06021	1.4
91.05476	3.1
92.04981	1.3
93.07038	2.4
94.06571	4.8
95.04981	1.2
95.06904	0.8
95.08607	2.8
96.04476	4.2
96.96064	0.5
97.02844	0.5
97.06509	0.5
99.04435	2.4
105.07026	3.4
106.02912	17.9
107.04880	0.6
107.08575	1.9
108.04477	0.6
109.02859	1.1
109.10197	0.7
110.06046	3.7
111.04440	1.7
111.06407	0.6
117.07011	1.2
119.08576	3.7
121.02920	0.6
121.10141	1.8
123.08025	0.5
124.03949	87.1
125.04282	1.3
125.75437	0.5
127.03922	0.9
128.06224	0.7
129.07004	1.1
131.08551	3.5
133.08563	0.5
133.10126	2.7
135.07993	0.5
138.05496	100.0
139.05850	24.4
140.03410	0.9
140.06090	0.5
142.07739	0.8
143.08583	1.9
145.10132	5.1
147.04434	1.2
147.11702	1.3
149.02354	2.2
149.68016	0.5
155.08537	2.0
156.09352	0.9
157.10133	2.8
159.11673	3.0
161.13243	0.6
163.11290	0.5
165.07062	0.9
167.08575	0.6
169.10133	3.1
170.10864	0.6
171.11691	1.8
173.09720	0.8
173.13312	0.9
175.14796	0.6
178.07712	0.6
181.04762	0.5
181.10173	1.5
182.10916	0.7
183.11707	2.2
185.09618	0.8
185.13223	1.2
187.14780	4.5
193.10173	1.3
195.11665	1.1
196.12460	0.5
197.13278	2.1
199.14873	0.9
201.16411	0.8
203.14238	0.7
205.10173	1.1
205.15868	2.5
207.11771	1.0
209.13274	0.9
211.11252	0.7
211.14801	2.2
213.12744	1.0
215.14302	0.9
219.11806	1.2
221.13367	0.7
223.14836	0.9
225.12813	0.6
229.15942	0.8
232.95410	0.7
233.13286	0.6
234.07617	0.8
235.14980	0.6
237.67719	0.5
239.18080	0.6
249.16385	1.4
250.07132	5.7
253.15849	0.5
255.13725	0.5
267.17404	2.4
277.15930	1.6
282.52936	0.5
295.16788	3.0
297.77774	0.6
309.63071	0.5
313.18094	0.8
418.20233	1.4
436.21240	2.2
454.22168	1.7
574.26343	16.2
575.26746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90675	0.6
53.03940	2.0
55.01867	5.7
55.05488	0.8
57.03435	13.8
58.38478	0.5
59.05003	0.7
60.04507	0.5
61.02924	12.8
63.03891	0.6
68.99785	1.5
69.03429	30.3
69.07056	0.9
70.06593	4.7
71.01349	2.8
71.05002	3.4
71.42409	0.7
72.08149	2.7
73.02915	36.1
79.05476	0.9
81.03407	6.8
83.04996	0.6
83.08600	1.1
84.04494	1.9
84.08127	1.7
85.02903	100.0
86.09712	4.1
87.04472	4.8
89.06037	1.1
91.03950	5.1
93.72057	0.6
95.04913	0.7
97.02888	55.9
97.06531	1.3
99.04434	4.1
103.03919	3.0
109.02876	9.5
111.04433	0.8
115.03924	20.3
121.06513	0.8
123.00836	0.7
127.03910	32.0
128.04243	0.6
129.10265	0.7
133.04961	33.5
135.04436	2.4
137.02321	1.4
139.00233	3.2
139.03828	0.7
139.07571	1.3
144.06572	1.8
145.04958	54.2
146.05263	0.9
147.04457	0.8
151.03932	1.5
161.09273	1.6
163.03925	1.3
163.06021	23.6
169.04907	0.7
193.04987	1.7
197.11765	0.8
199.06012	1.3
201.12375	2.3
215.12753	1.0
217.07118	2.6
223.06009	4.5
233.13997	1.1
241.07077	6.7
245.13812	0.8
251.77461	0.6
253.46455	0.7
259.08167	13.2
260.12579	0.7
263.14981	1.9
273.03918	16.6
277.09128	3.0
279.62021	0.7
289.09085	0.7
295.10205	11.4
298.13971	1.5
301.03409	10.0
302.04141	2.9
303.04974	8.2
306.39694	0.7
325.11395	5.2
346.78510	0.6
351.13806	0.7
370.10022	1.0
376.65836	0.8
395.52777	0.6
399.10715	36.8
566.63330	0.7
574.23914	0.7
602.83545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30605	0.6
65.31716	0.7
68.99783	85.4
69.90500	1.6
81.03424	0.7
85.02860	0.7
91.05448	1.6
95.01303	1.0
100.11253	1.0
103.05463	6.2
105.07021	21.3
105.32528	0.7
109.27282	0.8
111.00745	1.8
115.05437	1.0
121.30489	0.8
123.00736	1.2
125.02358	1.1
125.94335	0.7
131.04926	10.9
138.79675	0.9
139.00247	10.0
141.01843	0.9
148.83076	0.7
157.01265	1.4
161.02383	0.8
161.05962	1.3
163.00270	1.3
165.01810	5.2
166.99748	14.0
169.01311	32.0
171.04417	1.3
182.15630	0.8
183.02875	1.5
185.00798	100.0
186.01152	1.7
187.03880	32.5
188.04323	1.4
190.99789	1.4
193.01375	1.7
194.99223	1.2
202.99686	1.2
206.99242	0.7
209.00783	1.8
213.00279	2.9
215.03467	1.5
215.07019	2.0
218.99188	1.5
221.00891	2.0
225.00346	1.4
225.05460	2.0
230.99330	1.1
231.02856	1.7
233.00713	0.9
237.00255	2.5
239.03503	0.8
243.06479	4.0
246.98772	0.9
249.00154	1.4
253.04967	2.2
257.04459	11.6
269.04404	2.5
269.08133	0.9
271.05981	81.4
272.06296	2.8
273.07562	1.2
285.03879	15.7
285.06769	1.4
286.04572	2.3
288.99716	3.2
297.04071	0.9
300.99881	0.9
303.05066	1.2
305.06631	5.3
307.01880	0.8
313.03421	5.0
316.99277	3.7
323.05499	1.7
325.03354	1.3
331.04535	2.6
333.03940	2.2
335.00266	1.1
341.06369	0.9
361.03497	1.5
389.02386	0.8
407.03952	1.3
417.02191	2.5
421.05328	2.7
427.11371	1.2
435.03467	4.4
483.10535	1.1
493.08829	1.2
511.10126	3.5
521.08447	2.8
539.09589	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	575.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89663	1.8
69.78575	5.2
69.78916	3.7
70.06588	3.7
72.08147	2.7
84.08147	15.8
86.09705	8.0
105.49342	1.8
116.12222	1.8
129.10220	15.0
173.12907	3.3
185.41608	1.9
203.77631	1.9
208.05283	1.9
242.18697	3.2
279.47104	2.3
281.02734	4.0
281.05637	48.7
299.06689	100.0
377.19324	2.1
434.81873	2.0
575.33496	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	575.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43779	1.1
51.50902	1.0
53.03935	4.1
55.01869	12.8
55.05507	1.7
57.03429	2.4
59.81138	1.0
61.02923	2.2
65.03934	6.1
67.05495	1.8
68.99788	3.3
69.03421	13.9
71.04974	2.2
73.02905	3.6
79.05468	3.0
81.03412	17.3
81.07031	2.6
82.84327	1.0
83.04991	1.3
83.29926	1.0
84.04493	1.8
85.02898	25.1
87.00813	11.3
87.04459	1.5
91.03960	1.1
91.05465	3.3
93.03416	5.5
93.07070	2.0
94.04179	1.8
95.04955	1.3
95.08596	1.5
97.02889	12.1
99.04433	5.6
100.11259	1.5
103.05466	1.3
105.01866	7.5
105.07001	1.5
107.08593	1.7
109.02875	9.5
109.06525	1.5
111.04434	8.6
115.03937	1.5
115.05420	7.1
116.06136	1.0
117.01835	1.9
117.06998	2.0
119.04998	1.1
121.06482	1.3
122.03659	5.4
123.11670	1.4
125.06002	6.6
127.03911	20.2
127.04849	1.2
129.01814	1.9
129.06995	1.2
130.05020	3.4
131.04930	1.7
133.06525	1.2
137.05962	46.6
143.04919	8.3
144.05690	1.3
145.04967	4.2
145.10049	1.3
146.03545	1.3
147.04408	2.2
147.07707	1.7
147.11688	1.5
149.05960	1.9
150.06763	1.4
151.03906	4.0
151.07500	1.1
153.05429	8.1
159.02885	7.4
160.05194	6.1
161.05978	2.9
165.06946	1.7
169.01262	1.0
171.04402	5.1
175.07549	9.2
177.05450	7.3
177.06790	1.1
178.07802	2.1
179.08508	2.6
181.06494	1.2
185.05960	1.1
189.06982	3.1
195.08051	1.6
199.07506	2.0
199.11247	1.4
202.93690	1.2
203.07039	10.0
203.14639	1.0
205.06589	2.1
206.07275	3.8
207.08075	3.6
211.07552	1.3
212.04726	1.2
217.06522	6.4
218.07245	1.6
223.07581	3.1
227.07054	1.8
231.04883	1.7
234.06725	12.7
235.07362	5.1
245.05962	3.9
247.07523	1.5
249.09056	14.4
251.07042	4.2
262.06165	7.2
263.06943	3.3
265.08578	4.2
266.09509	1.5
267.10147	8.2
269.08118	1.4
276.96185	1.1
277.08578	30.6
278.09122	2.1
279.06555	2.8
282.49741	1.1
293.08072	1.4
294.08798	11.6
295.09641	4.4
301.21533	2.3
305.08206	1.1
307.09702	2.2
309.11185	36.0
321.11130	3.7
327.12238	100.0
328.12527	3.3
333.11185	3.7
339.12366	1.7
351.12399	1.2
375.12149	1.6
393.13217	1.4
399.11972	1.6
479.25430	1.3
575.26373	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	575.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	4.0
58.36275	0.9
67.41737	0.8
68.99788	6.5
69.73793	2.0
69.74158	2.0
70.06597	2.1
86.99036	1.0
91.05476	2.6
95.04932	1.7
95.08612	0.9
103.05472	8.8
105.03401	1.7
105.07047	3.4
107.04942	1.0
111.86442	0.9
114.98540	1.7
121.02879	2.2
131.04927	19.5
132.05252	1.7
133.02908	1.2
142.98021	1.1
147.04465	1.0
150.41685	1.0
151.00145	1.0
163.45856	1.1
166.01410	2.1
169.01309	5.9
170.06084	1.2
170.97482	4.9
171.40027	1.1
180.02858	1.4
182.05933	2.4
184.02452	1.3
184.04025	2.2
185.00806	4.9
186.01910	1.1
186.05428	1.1
196.03937	1.7
198.05676	2.4
198.96948	1.8
200.98517	2.5
210.05586	3.6
212.03476	3.9
216.98035	11.1
224.03433	2.3
226.05002	5.3
230.04549	1.2
232.02483	1.5
237.00368	2.8
238.04985	7.6
240.02994	3.5
241.05884	1.1
250.04848	1.2
252.02971	1.9
254.04465	16.0
260.01834	1.2
264.02963	1.2
266.04480	8.4
268.02405	1.9
271.06110	3.6
272.05307	1.1
273.07620	7.8
273.99899	1.3
277.08710	2.6
280.02560	1.4
282.03940	10.0
284.01968	2.1
284.05524	1.9
286.03491	1.1
290.08023	1.6
292.00772	1.4
293.05594	1.1
294.03900	6.8
296.01944	1.2
298.00076	1.1
298.03571	1.4
303.03268	3.8
307.01254	3.5
309.99893	9.7
310.03522	26.2
310.06870	1.7
311.06677	2.2
312.01599	1.3
312.05179	2.0
314.02832	1.2
316.00876	2.7
321.05154	1.3
322.03448	14.9
324.01184	1.2
328.00873	3.5
328.04642	5.2
338.02914	18.3
338.06686	1.5
339.02594	1.6
339.06165	9.4
340.04568	3.7
342.02390	1.1
348.04599	1.1
349.04550	3.8
350.02945	49.5
351.03372	1.2
354.02396	1.0
356.04138	3.0
367.05627	14.4
368.03946	6.6
396.08774	1.0
402.06223	2.0
412.08450	1.2
414.09775	6.1
416.07977	1.2
424.08160	3.4
426.09805	9.1
442.09210	24.6
442.14944	1.8
443.08908	1.1
446.08667	2.6
453.10855	5.6
454.09229	20.7
455.09509	1.6
460.10107	2.3
471.04828	2.2
471.11865	51.6
472.10822	4.6
489.12930	9.6
530.15747	2.9
546.15375	16.9
557.17102	19.8
558.15479	6.7
575.18109	100.0
576.18604	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.4
65.72271	0.7
68.99796	2.6
70.06604	1.0
79.05477	1.0
80.75806	0.7
88.74763	0.6
91.05478	2.5
91.84452	0.7
95.05012	1.7
103.05463	10.1
105.03390	1.7
110.06020	0.8
115.05518	0.8
120.04327	0.7
121.02901	2.2
123.71683	0.7
131.04916	16.9
132.05276	1.6
133.02867	1.3
138.01849	0.8
147.04402	2.0
149.02373	1.3
154.06538	1.0
155.04976	0.9
166.01335	1.4
170.05988	1.7
175.18846	0.7
180.02908	1.0
182.06039	2.0
184.03995	2.0
186.05525	1.2
193.04993	1.6
196.03960	1.5
198.05580	2.5
200.03477	1.1
210.05537	3.5
212.03473	2.8
214.04929	1.4
216.98026	0.9
218.00977	0.8
222.05629	0.9
222.60109	0.7
224.03476	2.2
226.05006	5.5
230.00995	1.0
232.02386	1.0
236.03723	0.9
237.00327	1.2
238.04910	7.7
240.02985	1.1
242.04471	1.0
252.02914	1.8
254.04465	13.5
258.04147	1.3
262.08731	0.9
264.02905	2.0
266.04504	6.7
268.02539	1.3
270.04041	0.8
271.06345	1.2
272.02115	1.1
272.05518	1.0
273.99811	1.0
277.08698	1.9
278.04547	0.9
282.03940	10.7
283.04077	1.0
283.07193	0.9
284.01938	2.3
284.05399	1.1
286.03625	1.0
288.01602	0.7
290.08215	2.7
291.02676	1.4
292.01007	3.0
294.03949	7.3
296.01877	1.0
298.00137	1.1
298.03387	1.7
307.01678	2.1
307.11765	0.7
309.99872	10.2
310.03510	24.7
310.06854	1.3
311.03622	0.9
311.06757	1.8
312.01453	2.1
312.05084	2.5
316.00964	2.2
322.03381	15.0
323.07065	0.9
324.01431	1.3
328.00900	3.6
328.04611	6.3
338.02899	19.3
338.06644	1.4
339.02603	1.6
339.06134	8.0
340.04617	4.8
349.04553	2.7
350.02930	47.3
351.03372	1.5
356.04044	3.6
367.05591	14.6
368.03961	4.8
372.08713	1.3
386.05103	1.3
386.09741	2.0
396.08746	0.7
402.06293	1.2
414.09674	4.7
416.07718	0.8
424.08270	3.0
426.09692	11.1
442.09201	25.3
443.09070	0.9
446.08939	2.3
453.10883	6.0
454.09100	15.3
455.09982	0.8
460.10089	1.7
471.11856	47.6
472.10574	4.2
476.48929	0.9
489.12924	14.9
490.13516	1.1
505.87326	0.8
528.14154	1.4
530.15948	2.5
540.14532	0.8
546.15485	18.4
547.15906	1.2
557.17139	16.9
558.15839	6.7
575.18115	100.0
576.18939	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	575.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
68.99786	1.3
69.03436	0.5
69.11150	1.2
69.11555	0.6
71.04999	0.3
72.23415	0.3
76.98824	0.3
81.07022	0.4
85.02878	0.5
95.05025	0.4
97.02956	0.3
98.23409	0.7
103.05463	1.8
103.33098	0.3
104.33720	0.3
105.01852	0.3
105.03349	0.4
105.07008	0.6
109.02863	0.3
127.03937	0.4
131.04915	5.6
145.28165	0.3
147.04437	0.7
153.06824	0.3
165.01857	0.3
169.01334	0.7
171.04433	0.4
171.11653	0.3
173.09526	0.3
178.83301	0.3
185.00833	1.2
185.05954	0.4
187.03860	0.5
187.07471	0.3
197.09601	0.6
199.07556	0.5
199.11237	0.4
203.06985	0.4
213.09135	0.4
215.07014	0.6
217.15894	0.3
223.11133	0.6
225.09061	1.5
226.09692	0.4
227.06985	0.5
227.10516	0.4
229.08617	0.5
231.10139	0.6
237.00288	0.9
237.09099	0.6
239.06963	0.3
239.10718	0.6
239.14268	0.6
241.05069	0.5
241.08530	1.0
243.10138	2.6
245.08131	0.6
251.10619	1.5
253.12071	0.5
253.15973	0.6
255.10172	1.0
257.04449	0.5
257.08011	0.9
259.09653	1.0
263.14291	1.0
265.08679	0.7
265.11972	0.3
266.09683	0.3
266.12775	0.6
267.10156	0.4
267.13718	1.5
269.04568	0.3
269.07947	1.4
269.11749	0.7
270.08759	1.5
271.05978	0.8
271.09491	0.7
276.11496	0.7
279.10129	2.1
281.12146	0.4
281.15302	2.4
283.09647	5.4
283.12775	0.5
284.10312	2.1
284.13690	0.6
285.03793	0.6
285.11133	0.9
285.14581	0.4
291.02609	0.8
291.13794	1.1
294.12384	1.8
297.11188	6.2
298.11951	1.7
299.12701	0.7
299.16238	0.6
307.02271	0.8
309.14801	4.4
311.12646	0.6
312.13513	27.7
313.13870	0.9
327.15863	100.0
328.16205	4.1
336.08612	1.5
395.65396	0.3
435.03278	0.4
489.11102	0.3
575.21112	3.4
576.12708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01865	1.9
55.05515	9.6
59.36575	1.2
65.03944	1.5
67.05502	8.4
69.03426	38.6
69.03799	1.9
69.07067	2.4
77.01517	1.2
79.05512	6.3
81.03415	17.0
81.07047	8.4
83.04974	27.6
84.82272	1.3
85.06540	1.3
87.04478	1.4
91.05474	14.6
93.07042	9.5
93.46878	1.3
95.04973	7.1
95.08585	7.5
97.06570	1.9
99.04443	1.3
103.05472	1.5
105.07026	14.6
107.04900	1.4
107.08604	6.7
109.06522	5.0
109.10188	2.1
109.82271	1.2
111.04433	69.5
115.05463	1.6
116.06221	1.4
117.07019	14.6
119.08574	11.8
121.06467	2.7
121.10159	2.8
123.08016	1.5
126.01096	3.4
128.06233	2.5
129.06192	1.2
129.06979	7.7
130.07784	3.2
131.08557	33.1
133.06506	2.8
133.10144	6.4
135.08040	4.1
141.07004	4.3
142.07790	5.5
143.08545	13.1
144.05727	1.4
144.09375	2.5
145.06497	2.7
145.10112	21.1
147.08070	4.5
147.11688	1.9
149.09615	1.9
153.06917	2.9
155.08537	7.9
156.09348	5.4
157.10121	15.5
158.10915	3.7
159.08073	3.4
159.11687	10.0
161.09598	3.5
161.13237	1.7
163.11174	1.6
163.14883	1.9
165.09135	2.7
166.07825	2.0
167.08585	4.0
168.09352	4.5
169.10132	8.1
171.07935	1.4
171.11638	11.6
173.09598	3.2
173.13243	55.9
174.13632	2.1
175.11194	4.1
175.14798	1.7
179.08528	2.5
181.10126	5.1
182.10837	1.4
183.08098	1.7
183.11681	10.4
185.09595	2.5
185.13234	4.8
187.11229	1.4
189.12723	9.5
191.10547	6.2
191.14334	3.2
192.09273	1.6
193.10146	2.9
195.08115	1.5
195.11653	5.9
196.12439	1.5
197.09531	2.1
197.13278	3.8
199.11246	3.4
201.12698	15.9
203.14372	3.0
207.11661	2.4
209.13301	3.0
211.11287	2.4
213.12901	1.8
217.10144	2.0
217.12282	1.8
219.13780	21.6
221.13234	4.5
223.11246	1.9
225.12756	1.9
229.12337	1.6
232.12395	1.7
235.14775	1.9
237.12692	2.3
241.12109	1.6
243.13782	1.7
247.13022	2.1
247.15169	2.0
265.15872	4.6
283.16962	4.2
293.15262	2.8
311.16370	8.6
329.17389	6.3
336.42404	1.4
347.18539	5.2
385.26855	1.5
389.19553	100.0
390.19965	4.9
427.20834	2.4
487.22876	4.3
575.09436	1.7
575.28180	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01179	0.8
67.05497	1.0
69.89178	1.0
69.89521	1.6
78.03464	1.3
80.05047	0.9
85.45071	0.8
95.08598	1.1
106.02940	2.3
117.20356	0.9
124.03957	4.5
125.04192	0.9
126.70234	0.8
138.05495	21.8
139.05847	5.0
140.06131	0.8
219.06442	1.2
246.78035	0.8
327.15836	1.8
471.17886	1.3
575.22424	100.0
576.22729	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	575.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61397	0.6
65.03947	0.8
67.05504	1.5
67.12646	0.6
69.08657	1.5
69.09058	3.3
78.03447	6.1
79.05473	0.8
80.05022	4.1
81.07045	1.2
91.05470	1.2
93.07061	2.0
95.04884	0.8
95.08613	1.1
96.04478	3.8
98.23515	1.4
103.06364	0.8
105.07032	2.1
106.02921	18.0
107.08537	0.9
109.10169	0.9
115.05506	0.8
119.08610	2.9
121.10124	0.7
124.03944	75.0
125.04300	1.5
126.41886	0.7
127.01656	0.7
131.08586	0.9
133.10107	1.0
138.05519	3.1
143.08495	0.9
144.09387	0.9
145.10100	3.8
157.10083	1.2
159.11696	2.4
169.10075	0.8
187.14812	4.6
203.14313	1.0
204.05701	0.9
329.17477	1.1
452.20557	4.1
487.17297	43.3
488.17599	1.9
575.22595	100.0
576.23175	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	575.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61397	0.6
65.03947	0.8
67.05504	1.5
67.12646	0.6
69.08657	1.5
69.09058	3.3
78.03447	6.1
79.05473	0.8
80.05022	4.1
81.07045	1.2
91.05470	1.2
93.07061	2.0
95.04884	0.8
95.08613	1.1
96.04478	3.8
98.23515	1.4
103.06364	0.8
105.07032	2.1
106.02921	18.0
107.08537	0.9
109.10169	0.9
115.05506	0.8
119.08610	2.9
121.10124	0.7
124.03944	75.0
125.04300	1.5
126.41886	0.7
127.01656	0.7
131.08586	0.9
133.10107	1.0
138.05519	3.1
143.08495	0.9
144.09387	0.9
145.10100	3.8
157.10083	1.2
159.11696	2.4
169.10075	0.8
187.14812	4.6
203.14313	1.0
204.05701	0.9
329.17477	1.1
452.20557	4.1
487.17297	43.3
488.17599	1.9
575.22595	100.0
576.23175	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	575.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.1
50.06998	0.1
51.02372	0.4
53.03931	0.3
55.05504	0.2
55.44059	0.1
59.04992	0.1
65.03897	0.2
66.00604	0.1
67.05493	0.2
68.05020	0.1
68.46787	0.1
69.03395	0.1
69.08787	1.0
78.03448	5.5
79.04212	0.2
79.05483	0.5
80.05011	5.6
81.03423	0.2
81.07050	0.5
87.04501	0.2
89.06030	0.2
91.05467	1.0
93.07046	0.7
95.04961	0.3
95.08589	0.3
96.04482	5.4
103.05432	0.1
105.07001	1.1
106.02906	18.6
107.03268	0.3
107.08556	0.9
109.06482	0.2
117.07021	0.5
119.04902	0.1
119.06054	0.2
119.08576	1.5
121.02869	0.5
121.06496	0.2
124.03942	100.0
125.04290	1.3
127.03892	0.2
128.06226	0.2
129.06967	0.4
131.08551	0.9
133.06514	0.3
133.10117	0.5
135.08034	0.3
138.05475	2.6
139.05841	0.4
141.06996	0.2
142.07806	0.3
143.08586	0.7
145.10094	1.3
147.08014	0.2
155.08534	0.5
156.09311	0.3
157.10156	0.7
159.08058	0.6
159.11667	0.5
161.09641	0.3
163.07545	0.2
165.06999	0.4
167.08583	0.3
169.10101	0.6
170.10872	0.3
171.11656	0.5
173.13231	0.3
179.08542	0.6
180.09294	0.2
181.10072	0.8
183.11714	0.6
185.09578	0.2
185.13318	0.3
192.09311	0.3
193.10138	0.7
194.10814	0.3
195.11676	0.6
197.13181	0.2
201.12721	0.3
203.08591	0.2
206.10944	0.2
207.11685	0.7
208.12422	0.3
209.09616	0.3
209.13235	0.6
210.13995	0.2
213.09045	0.3
219.11678	0.5
219.13657	0.1
220.12378	0.3
221.13260	0.4
223.11070	0.3
223.14804	0.6
227.10570	0.2
229.06068	1.0
232.12329	0.3
233.13293	0.2
234.14108	0.3
235.14874	0.3
237.09407	0.3
237.16359	0.2
247.14824	0.3
249.16455	0.2
251.10609	0.3
251.14380	0.4
253.09824	0.2
260.11786	0.2
265.15942	0.4
269.15350	1.1
275.14294	0.2
278.13071	0.3
281.15381	0.3
283.17068	0.2
293.15314	2.4
295.11026	0.2
311.16428	1.8
368.25912	0.2
416.18405	0.9
426.24673	0.2
434.19574	2.6
452.20724	0.5
455.22348	0.3
478.92563	0.2
487.20007	0.2
539.21649	0.3
557.22528	0.4
566.70947	0.2
575.23853	6.2
576.23956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2387
Annotation	7-O-Nicotinoylscutebarbatine H
Peak:m/z	Relative Intensity
52.01909	0.1
53.03938	0.3
56.54935	0.1
57.07062	0.2
59.23477	0.1
64.72310	0.1
67.05508	0.2
67.75559	0.1
73.02917	0.3
77.73606	0.1
78.03452	1.2
79.04237	0.1
80.05014	5.0
81.07063	0.2
87.04469	0.2
89.06028	0.6
90.54570	0.1
91.05455	0.2
95.08599	0.1
96.04489	3.5
97.02873	0.1
105.07026	0.3
106.02271	0.2
106.02914	2.0
113.58118	0.1
119.08621	0.2
124.03946	100.0
125.04277	0.9
131.08607	0.1
133.08571	0.3
138.05492	1.7
139.05832	0.2
140.03461	0.2
142.07822	0.2
143.08559	0.1
145.10052	0.1
156.09338	0.2
157.10155	0.3
159.11656	0.3
169.10130	0.2
170.10902	0.2
171.11632	0.4
173.09558	0.3
177.11081	0.2
181.10175	0.3
183.11755	0.3
184.12468	0.2
185.09598	0.1
185.13206	0.3
187.11171	0.2
195.11739	0.2
199.11128	0.1
207.11774	0.2
209.13260	0.3
211.14758	0.2
213.12704	0.6
215.14308	0.2
223.14851	0.3
233.13278	0.2
237.16487	0.2
251.14151	0.2
265.16061	0.2
267.13712	0.2
283.16763	0.2
290.15375	0.4
293.15259	0.2
311.16360	1.9
311.19574	0.2
329.17355	0.2
434.19632	3.1
452.20651	2.9
575.23792	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	575.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05517	0.3
56.61683	0.2
57.07052	0.3
59.05017	0.2
65.03946	0.4
67.05505	0.6
69.07072	0.4
73.02910	0.5
73.06539	0.2
78.03448	2.5
79.05484	0.6
80.05015	4.6
80.05473	0.4
81.03461	0.3
81.07046	0.5
85.02859	0.2
87.04468	0.9
89.06033	1.5
91.05488	0.8
93.07034	0.5
94.06565	0.8
94.98348	0.2
95.05006	0.5
95.08624	0.6
96.03872	0.3
96.04488	4.4
102.06753	0.2
103.05446	0.2
105.03398	0.5
105.07030	2.7
106.02914	5.9
107.08597	0.3
107.58020	0.2
109.06499	0.4
110.06037	0.9
117.07024	0.2
119.08591	0.7
121.02859	0.4
124.03946	100.0
125.04284	3.2
126.04442	0.7
127.01523	0.2
129.06999	0.3
131.08620	0.5
132.55162	0.2
133.06557	0.2
133.08589	0.6
133.10196	0.3
138.05495	20.1
139.05856	4.1
140.03345	0.2
140.05971	0.8
142.50299	0.2
143.08524	0.3
145.10168	0.2
155.09798	0.2
157.10094	0.7
159.11687	0.4
167.08618	0.2
169.10127	0.5
171.11716	0.3
177.11215	0.5
181.10144	0.4
193.10214	0.2
195.11678	0.3
197.13203	0.3
199.14629	0.2
201.02161	0.2
209.13203	0.4
221.13622	0.3
223.14795	0.7
251.14217	0.4
256.99814	0.2
269.15283	1.0
283.16888	0.2
294.05109	0.3
311.16217	0.4
335.08789	0.3
434.19354	0.3
452.20499	1.5
575.23816	14.1
576.23889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.9
51.02379	0.9
53.03943	2.3
53.18641	0.2
55.01863	0.4
55.05508	1.7
57.07066	0.7
65.03946	0.4
67.05502	2.0
69.03412	0.7
69.07063	2.1
77.03915	2.6
79.05493	3.0
81.03416	2.3
81.07056	4.4
83.04974	0.5
83.08611	0.7
87.04450	2.7
89.06030	0.6
91.05465	3.6
93.07034	5.9
95.04962	16.7
95.08598	3.8
97.02882	1.6
97.06517	0.6
99.04436	0.4
101.02383	0.3
103.05478	0.3
105.03386	100.0
105.04407	7.6
105.07008	5.9
106.03711	0.9
107.04965	0.2
107.08582	5.7
109.02851	0.5
109.06516	1.2
109.10136	1.2
111.04490	0.4
115.05401	0.4
117.07001	1.2
118.06577	0.3
119.08561	4.6
121.06503	1.5
121.10136	2.9
123.04411	0.5
123.08090	0.8
123.11713	0.7
124.03957	0.6
125.05955	0.3
127.03890	1.4
128.06203	0.9
129.06996	1.5
130.07803	0.5
131.08557	3.1
133.06496	0.4
133.08600	0.4
133.10121	3.5
135.08031	2.3
135.11702	0.8
137.05986	0.3
137.09584	0.3
139.01570	0.3
139.07587	0.3
141.06969	1.1
142.07753	1.7
143.08543	3.8
144.09311	0.6
145.06482	0.3
145.10123	5.0
147.08052	1.0
147.11690	2.2
149.09650	1.3
149.13243	10.7
153.06950	0.5
153.09064	0.2
154.07715	0.5
155.08536	3.3
156.09343	2.3
157.10112	5.3
158.10875	0.5
159.08034	1.7
159.11684	3.7
161.09682	1.3
161.13260	1.0
163.11221	0.4
165.07002	0.7
165.09103	0.3
166.07780	0.3
167.07263	0.3
167.08537	1.1
168.09341	0.8
169.10121	4.7
170.10872	0.8
171.08113	0.3
171.11674	4.1
172.08842	0.4
172.12405	0.6
173.09581	2.4
173.13251	2.3
175.11183	0.9
175.14833	0.7
176.88493	0.2
177.09097	0.5
177.12703	2.4
178.07782	0.2
179.08604	1.1
180.09332	0.4
181.08598	0.9
181.10124	2.2
182.10887	1.2
183.08064	0.4
183.11676	4.4
184.12543	0.3
185.09625	1.0
185.13251	2.4
187.11182	2.4
187.14815	4.9
188.11942	0.3
189.12685	1.0
191.08530	0.3
191.10683	0.4
191.14320	0.3
192.09351	0.9
193.08524	0.4
193.10121	2.8
194.10892	0.6
195.11694	1.9
196.12442	1.7
197.09605	0.7
197.13245	3.0
198.14041	0.6
199.11174	0.7
199.14803	1.4
200.11928	0.3
201.09103	0.8
201.11139	0.2
201.12650	1.2
201.16351	1.0
203.10629	0.6
203.14310	0.4
204.09404	0.2
205.10162	0.8
205.15883	4.4
206.10864	0.5
207.11758	2.4
207.13742	0.3
208.12302	0.4
209.13307	2.0
210.10477	0.2
210.14034	0.7
211.11250	1.0
211.14795	8.4
212.15070	0.2
213.12723	0.6
213.16319	2.0
214.13629	0.2
215.10732	2.0
215.14275	3.1
216.14999	0.3
217.15880	0.6
219.11781	0.6
220.12509	1.6
221.13373	1.4
223.11287	0.4
223.14775	1.1
224.11978	0.3
225.12782	0.8
225.16389	3.2
227.10709	0.5
227.14287	0.8
229.12146	1.0
229.15683	1.3
231.10147	0.7
231.17358	0.6
233.13306	0.3
234.14018	0.3
235.14813	4.6
236.15472	0.8
237.16306	0.4
239.10638	0.5
239.14359	0.3
239.17946	1.0
241.12161	0.3
241.16011	0.2
243.10036	0.3
243.13858	0.4
243.17465	0.8
249.16353	2.2
251.14163	0.4
253.12260	1.2
253.15843	2.2
255.13812	0.6
257.11639	0.7
257.15350	0.3
262.13519	0.3
263.12823	0.8
265.15701	0.2
266.13019	0.6
267.13950	0.6
267.17450	2.3
269.15356	0.7
269.19006	0.3
271.13730	0.4
271.16919	3.4
273.16415	0.4
277.15891	0.8
280.14572	0.6
285.15033	0.6
285.18448	3.9
287.16397	0.5
289.17899	1.2
291.17337	1.2
295.16879	7.4
303.19504	5.8
309.18506	0.4
313.17947	17.4
314.18198	0.5
331.19019	8.8
332.19666	0.3
337.17569	0.5
354.63269	0.3
435.21658	3.8
455.32721	0.3
518.10919	0.2
575.27747	0.3
575.40723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03939	0.6
55.05498	0.9
59.04988	0.8
67.05503	0.7
71.11235	0.5
73.02909	1.1
77.03925	0.8
79.05483	5.8
81.07043	0.8
83.04962	1.8
84.43152	0.4
87.04446	2.1
89.06024	4.2
91.05475	2.3
92.62326	0.4
93.07047	1.5
95.04959	4.0
95.08605	0.8
99.03265	0.7
103.05460	5.2
103.19221	0.5
104.05740	0.7
105.03412	2.5
105.04515	1.5
105.07018	100.0
106.07355	9.3
107.08590	1.1
109.10152	0.5
112.99960	1.2
114.03724	0.5
117.06976	0.7
119.08576	1.9
121.04557	1.6
121.06490	1.8
121.10115	0.9
127.01550	9.2
129.06979	0.8
131.08589	3.2
133.08595	1.9
133.10132	1.5
139.01540	2.7
142.07756	0.5
145.10117	1.3
147.08020	1.9
147.11690	1.7
149.09619	1.0
153.03090	10.0
154.03456	0.6
157.10112	0.8
159.11700	1.0
170.10799	0.5
171.11748	0.8
173.09612	0.5
177.11209	0.7
183.04120	0.9
185.13223	0.9
195.11656	0.8
197.05753	2.6
209.13275	0.7
223.11148	0.8
225.12785	1.9
237.16330	0.6
251.14224	3.3
252.14703	0.7
253.15979	1.0
269.15323	0.9
271.09509	0.9
285.99625	0.6
297.18396	1.0
313.17786	0.5
314.18536	0.7
315.19495	8.5
329.18979	2.2
353.18979	0.6
373.21698	0.5
393.27448	6.2
393.32050	0.6
453.29684	17.8
454.30206	0.9
515.31262	2.3
517.66534	0.5
575.33380	72.3
576.33533	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	576.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
69.86614	0.6
78.03461	0.9
79.04225	0.2
80.05014	4.5
96.04494	2.6
105.03405	0.4
106.02904	0.2
119.08578	0.5
124.03947	100.0
125.04271	0.8
127.92532	0.2
131.08560	0.2
171.11778	0.3
283.11270	0.2
313.17914	0.4
454.22531	0.2
576.25897	11.9
577.26086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60762	0.1
52.01893	0.2
53.03939	0.2
58.22184	0.1
68.05003	0.1
69.76606	0.5
70.72468	0.1
71.75636	0.1
76.62444	0.1
78.03446	1.0
79.04202	0.2
80.04543	0.3
80.05009	4.6
89.54232	0.1
96.04487	2.9
98.23499	0.2
105.03400	0.5
111.75957	0.2
124.03940	100.0
125.04295	0.9
140.03375	0.3
141.83881	0.1
202.52708	0.1
225.60037	0.1
434.77011	0.2
455.20639	0.3
576.16711	0.3
576.25854	5.1
577.25079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
52.34462	0.2
53.03942	0.4
55.05515	0.4
57.22379	0.2
67.05489	0.7
69.03421	0.4
69.07075	0.3
69.19016	1.4
78.03452	2.7
79.05495	0.6
80.05015	4.4
81.03426	0.3
81.07047	0.8
83.04964	0.3
88.20376	0.2
91.05477	0.8
93.07030	1.3
95.04963	0.7
95.08595	1.1
96.04494	3.3
97.02885	0.7
105.03391	1.3
105.07014	1.6
106.02908	4.9
107.08598	1.0
108.04458	0.6
109.10143	0.3
111.04454	0.3
117.06942	0.4
119.08572	2.5
121.06502	0.3
121.10134	0.8
124.03946	100.0
125.04278	0.9
125.05970	0.3
126.47665	0.2
128.06218	0.5
129.07027	0.5
131.08546	1.2
133.10123	1.1
135.08049	0.9
141.07031	0.5
142.07773	0.6
143.08572	0.9
145.10123	1.7
147.08054	0.5
147.11679	1.0
149.09575	0.3
155.08508	0.6
156.09352	1.1
157.10132	2.0
158.10860	0.4
159.08060	0.5
159.11665	1.8
161.09576	0.8
161.13190	0.2
162.38477	0.3
165.07034	0.3
167.08580	0.3
169.10143	2.1
170.10867	0.9
171.11694	2.0
172.08846	0.3
172.12396	0.3
173.09569	1.2
173.13208	1.2
175.11177	0.4
175.14706	0.4
176.47522	0.2
179.08571	0.3
181.10123	1.2
182.10915	0.4
183.08052	0.3
183.11671	2.2
185.09569	0.3
185.13225	1.0
187.11208	1.1
187.14813	1.7
188.12009	0.3
189.12695	0.4
192.09296	0.4
193.10117	1.4
195.11684	0.8
196.12476	0.8
197.09581	0.3
197.13232	1.2
198.14017	0.5
199.14732	0.5
201.12735	0.8
203.10606	0.7
203.14301	0.3
205.10181	0.3
206.10915	0.4
206.78514	0.2
207.11740	1.9
209.13307	0.6
210.10323	0.3
210.13976	0.2
211.11130	0.5
211.14789	3.5
212.12027	0.3
212.15181	0.3
213.16406	0.4
215.14275	2.2
216.14769	0.2
217.15781	0.3
219.11676	0.3
220.12473	1.1
221.13268	1.0
223.14752	0.3
225.12732	0.4
225.16377	0.9
229.12280	0.4
229.15846	0.4
231.10143	1.0
234.14120	0.6
235.14755	2.7
236.15524	0.3
249.16460	1.0
253.12219	1.1
253.15857	0.8
255.13927	0.3
257.11761	0.5
266.12869	0.5
267.13940	0.4
267.17444	0.8
269.19180	0.3
271.16943	0.5
277.15906	0.3
280.14627	0.6
285.14883	0.8
285.18457	1.1
287.16547	0.3
292.16910	0.5
295.16888	3.6
313.17947	9.8
331.19022	1.1
339.09607	0.2
397.61166	0.3
436.21155	8.4
437.21310	0.5
454.22247	1.5
576.25897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.3
52.27932	0.2
53.03939	0.5
55.05495	0.3
57.07050	0.3
60.43208	0.2
67.05490	0.7
68.05025	0.2
69.07066	0.3
74.62398	0.2
77.03881	0.2
78.03458	1.6
79.05475	0.7
80.05011	5.5
81.03418	0.4
81.07024	0.7
91.05481	0.6
93.07031	0.6
93.73205	0.2
95.04954	0.8
95.08594	0.6
96.04488	4.5
97.61132	0.2
105.03387	3.2
105.04488	0.2
105.07018	1.5
106.02911	3.1
107.08581	0.7
109.06488	0.3
116.29348	0.2
117.07011	0.4
119.08559	1.5
121.06491	0.2
121.10132	0.4
124.03943	100.0
125.04283	0.7
129.06969	0.3
131.08545	0.6
133.10100	0.7
135.08101	0.3
137.06021	0.2
140.03410	0.4
142.07730	0.3
143.08583	0.5
145.10126	1.8
147.11708	0.6
155.08508	0.3
156.09300	0.5
157.10135	1.0
158.10838	0.4
159.11647	1.6
161.13272	0.3
169.10117	0.6
170.10835	0.4
171.11650	0.6
172.12483	0.8
173.13213	0.8
181.10051	0.3
182.10869	0.4
183.11703	0.7
184.12479	0.3
184.61607	0.2
185.13286	0.4
187.14803	5.0
193.10258	0.3
197.13290	0.5
197.66396	0.2
205.15894	0.3
207.11778	0.4
208.12450	0.3
209.13315	0.5
211.11134	0.2
211.14662	0.4
220.12474	0.4
223.14761	0.3
225.16455	0.4
228.06517	0.3
235.14722	0.5
283.13861	0.3
295.16876	0.6
297.98743	0.2
313.17944	1.2
331.19034	2.2
436.21378	0.7
454.22220	1.5
576.25854	24.4
577.25922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05500	0.3
57.39165	0.2
67.05502	0.7
68.05011	0.2
69.03403	0.2
69.07047	0.2
77.03909	0.4
78.03452	1.1
79.04227	0.2
79.05479	0.6
80.05017	4.0
81.07063	0.4
83.04965	0.2
88.05336	0.2
91.05479	0.6
92.50990	0.2
93.07047	0.7
95.04965	1.3
95.08606	0.5
96.04494	3.2
98.22720	0.7
105.03389	9.1
105.04519	0.6
105.07037	0.7
106.02907	0.7
107.08624	0.2
109.06509	0.7
113.05948	0.2
119.08578	0.7
124.03949	100.0
124.23980	0.2
125.04282	1.0
129.07008	0.2
131.08545	0.5
133.10152	0.4
141.07042	0.4
142.07800	0.2
143.08565	0.7
145.10146	0.4
153.06934	0.2
155.07077	0.4
155.08537	0.7
156.09351	0.6
157.10129	1.2
159.11685	0.8
165.06953	0.3
167.08571	0.5
169.10092	1.5
170.10886	0.5
171.11635	1.0
173.13258	0.6
178.07849	0.2
179.08510	0.6
181.10074	0.6
182.10857	0.5
183.11710	1.1
184.12445	2.1
185.13202	1.0
192.09334	0.5
193.10109	1.7
195.11705	0.5
197.13254	2.2
198.25728	0.2
201.12646	0.4
205.10106	0.4
206.10924	0.5
207.11676	1.4
209.13304	0.5
211.11079	0.3
211.14795	0.5
219.11613	0.3
220.12512	1.4
221.13251	0.6
223.14836	0.4
225.16385	0.4
225.21350	0.2
228.03949	0.2
233.13258	0.3
234.14000	0.2
235.14828	3.8
238.71994	0.2
249.16438	0.7
253.15935	0.4
271.16882	0.3
277.15900	0.6
285.18539	0.2
295.16919	1.3
313.17957	8.0
331.19049	0.5
356.22125	0.2
383.49664	0.2
435.21716	0.9
576.25616	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	576.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01906	0.3
53.03943	0.3
54.59249	0.2
67.05480	0.5
70.93105	0.3
77.03911	0.3
78.03449	1.4
80.05013	5.2
81.07044	0.4
93.07043	0.5
95.04954	1.1
96.04496	3.1
97.06525	0.3
105.03390	7.9
105.04495	0.6
105.07014	0.7
106.02904	1.4
106.03588	0.3
107.08597	0.4
119.08576	1.3
121.06471	0.3
121.10078	0.4
124.03947	100.0
125.04267	1.2
127.16859	0.2
131.08591	0.6
133.10127	0.3
135.08008	0.3
143.08643	0.4
145.10120	0.5
155.07036	0.3
155.08510	0.2
156.09239	0.4
157.10120	1.0
159.11662	1.6
160.52309	0.2
167.08566	0.3
169.10135	0.6
171.11612	1.3
173.13242	0.6
175.11192	0.2
179.08594	0.3
181.08278	0.2
183.11676	0.7
184.07570	0.3
185.13280	0.4
193.10115	0.3
195.11696	0.3
201.12740	0.8
209.13255	0.7
210.14059	0.3
211.14803	0.9
219.13818	0.6
223.14839	0.4
225.16385	0.9
228.06587	1.0
235.14798	0.7
249.16371	0.4
253.15938	0.8
267.17496	0.3
271.16852	0.9
285.18521	0.4
287.16199	0.5
289.18027	0.3
295.16913	0.6
303.19397	0.3
313.17899	1.8
331.19009	1.8
345.17386	0.2
388.21695	0.2
391.11905	0.2
454.22247	0.3
573.56128	0.3
576.25891	27.9
577.26123	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	576.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
53.03938	1.6
55.01872	1.0
55.05502	1.8
59.28337	0.4
61.31206	0.4
65.03921	0.5
65.71310	0.5
67.05504	5.0
69.03419	1.7
69.07060	2.2
71.04984	1.6
77.03925	1.8
79.04719	0.6
79.05491	6.4
81.03431	0.6
81.07058	3.3
83.04983	2.1
85.32068	0.5
87.04473	0.8
89.06025	2.5
91.05475	4.4
93.07043	5.4
95.04962	8.2
95.08605	3.4
97.02901	4.6
97.06536	1.1
98.23550	0.9
103.04825	0.5
103.05422	2.6
105.02673	1.2
105.03394	29.8
105.04437	2.6
105.07026	46.1
106.07359	11.5
107.07767	0.7
107.08579	3.7
109.06519	1.1
109.10146	1.2
111.04428	2.4
113.00027	0.6
113.06031	1.0
115.05413	0.6
117.07037	1.6
119.08571	15.8
121.06500	1.4
121.10165	3.0
123.08014	0.6
123.11691	0.9
127.01570	5.1
129.07008	1.6
131.08562	3.7
133.08615	0.6
133.10150	4.6
135.08038	1.1
135.11638	0.9
137.09671	0.7
139.01573	2.2
139.07558	0.7
141.05496	1.5
141.07007	0.7
142.07797	1.0
143.08554	3.3
145.02573	0.6
145.10115	5.4
147.08035	1.2
147.11676	14.4
149.09669	1.0
151.07428	0.6
153.03094	3.5
154.03447	0.9
155.07132	1.3
155.08441	1.0
156.09323	2.2
157.10129	6.7
158.10928	0.8
159.11684	7.1
161.09641	1.4
161.13255	3.4
165.06976	0.6
167.08577	0.9
169.10146	2.5
170.10902	4.3
171.11681	9.3
172.12384	0.6
173.09686	1.0
173.13229	5.3
175.07652	0.5
175.11212	1.7
175.14824	1.5
179.08565	1.0
180.09254	1.1
181.10149	2.5
183.11768	2.8
184.12450	1.8
185.13232	9.1
186.13979	2.1
187.14851	1.5
189.12750	1.7
193.10135	1.1
194.10892	0.7
195.10095	0.7
195.11665	6.0
196.12349	0.6
197.05724	0.9
197.13191	3.1
199.11101	0.8
199.14807	7.3
201.16331	1.4
201.18147	0.5
203.14305	4.9
204.15045	2.8
205.12218	0.6
205.15894	1.5
207.10008	0.6
207.11742	1.8
208.12454	1.6
209.13278	4.2
211.14830	1.9
213.12837	0.7
213.16399	1.8
217.12093	0.5
217.15875	0.8
221.13318	0.7
222.14047	2.1
223.11211	0.8
223.14787	2.4
223.61241	0.6
225.12659	0.7
226.13182	0.5
227.10709	1.0
227.18005	1.4
235.14804	1.7
237.12671	1.2
237.16391	8.2
241.12193	1.1
241.19499	0.5
251.14336	1.2
251.17880	1.8
252.14621	0.9
255.13678	0.7
255.17404	2.2
259.13333	0.8
269.18872	0.9
273.18372	0.6
279.17389	1.6
287.19931	0.6
297.18484	6.6
315.19531	100.0
316.19873	3.3
329.18820	0.7
394.27982	1.0
453.29507	1.2
454.29971	4.1
521.40479	0.6
575.33203	0.9
576.33917	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.05490	1.9
61.88737	0.4
67.05499	4.9
67.15946	0.4
68.89978	0.5
69.03435	0.5
69.07073	2.8
69.19522	0.6
69.39928	1.1
69.40331	1.6
71.04979	0.7
77.03917	0.7
79.05482	4.0
81.07037	4.5
83.04971	1.2
83.08599	0.7
87.04482	0.5
89.06001	0.8
89.26759	0.5
91.05490	4.2
93.07036	8.2
95.04952	7.0
95.08598	6.0
97.02888	1.7
97.06522	1.7
103.05472	0.8
105.03384	27.4
105.04520	1.9
105.07018	16.8
106.03679	0.6
106.07388	1.3
107.08584	4.2
109.10134	1.3
111.04445	1.1
111.08067	1.2
112.99972	0.7
115.05372	0.5
117.06974	2.5
119.08575	11.0
121.06473	1.1
121.10148	1.5
125.05999	0.8
127.01569	2.5
127.74017	0.5
129.07011	0.9
129.09079	1.6
131.08549	4.4
133.10124	9.4
135.08035	1.6
135.11595	0.7
139.01488	1.1
139.07474	1.4
141.06963	0.9
142.07735	2.4
143.08554	4.3
144.09279	1.4
145.10100	10.9
147.11665	1.2
153.07028	0.8
153.09009	0.9
155.07030	4.0
155.08539	2.4
156.09323	3.2
157.10095	9.8
158.10860	0.6
159.11681	9.8
161.09532	0.9
161.13235	1.4
163.11206	1.0
165.06958	1.5
166.07797	1.1
167.07159	0.6
167.08554	1.5
168.09331	0.7
169.10086	3.5
170.10899	6.5
171.11671	14.5
173.13274	2.9
177.09090	0.6
179.08574	1.6
180.09348	1.8
181.10075	4.7
182.10834	1.8
183.11641	3.9
184.12413	1.3
185.13232	12.0
186.14049	3.7
187.14813	2.3
193.10138	2.2
194.10849	1.0
195.10118	1.1
195.11676	10.3
196.12314	1.0
197.13242	6.5
198.14037	0.7
199.11087	0.6
199.14798	8.7
200.15578	0.6
207.11714	2.7
208.12416	1.9
209.13281	5.0
211.14824	1.5
213.09021	0.6
213.16365	3.3
220.12434	1.6
221.13333	0.7
222.13936	2.5
223.11244	0.6
223.14841	1.4
225.12740	0.7
227.10535	0.6
235.14842	2.7
237.12654	0.9
237.16347	12.9
241.12218	1.6
247.07240	1.6
249.16260	0.6
251.14276	0.5
251.17856	2.0
255.13820	1.5
255.17467	2.1
259.13486	0.7
273.18277	0.9
279.17456	2.2
284.95889	0.5
285.18405	0.9
297.18423	9.6
300.90253	0.6
315.19501	100.0
316.19769	3.1
351.13489	1.3
437.23123	1.4
502.39389	0.7
552.39862	0.6
576.28979	5.0
577.27148	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	576.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18579	1.8
53.03943	1.8
55.01852	1.4
55.05493	3.3
57.07074	2.5
66.70042	1.2
67.05493	4.4
69.07047	4.1
69.39713	8.0
74.43318	1.5
79.05474	5.7
81.07039	5.1
83.08600	1.5
91.05489	5.8
93.07044	9.3
95.04980	7.5
95.08609	12.8
97.02918	2.6
97.06520	2.2
98.23496	1.7
105.03387	44.6
105.04499	3.1
105.07024	31.1
106.07362	3.1
107.08585	10.0
111.08083	2.6
117.06993	1.6
119.08572	12.4
121.06481	1.7
121.10131	3.6
124.03931	4.3
128.06224	1.9
129.07016	3.4
131.08539	6.0
133.10115	12.1
137.63657	1.3
139.01549	2.4
139.07529	1.6
141.06902	3.0
142.07744	4.3
143.08580	6.8
144.09297	2.6
145.10112	9.6
147.11671	2.6
154.90778	1.4
155.08565	5.3
156.09332	7.6
157.10120	23.1
159.11702	13.5
161.09622	2.2
161.13225	1.8
165.06931	2.0
167.08505	3.6
168.09380	2.5
169.10097	10.6
170.10889	8.5
171.11682	20.7
173.09680	1.6
173.13263	5.5
179.08488	2.6
180.09312	2.4
181.08629	3.1
181.10080	14.1
182.10844	4.7
183.11671	12.4
184.12434	4.2
185.13261	13.7
186.14081	1.5
187.14876	3.4
191.10641	2.2
193.10103	6.1
194.10884	4.1
195.10033	1.5
195.11700	21.5
196.12494	1.7
197.13263	6.9
198.14009	3.7
199.14833	18.4
201.09149	1.7
207.11748	7.9
208.12473	5.2
209.13235	16.6
211.14818	3.6
213.16376	30.3
214.16861	1.5
215.10625	9.4
217.15785	1.9
220.12416	2.0
221.13191	1.5
222.13992	4.7
223.14804	6.4
225.12740	2.2
227.10632	2.7
233.11635	1.5
235.14815	5.1
237.12659	1.9
237.16374	23.1
241.12209	13.3
251.18015	7.4
255.13727	6.1
255.17384	2.6
259.13303	3.1
269.15271	3.0
273.18460	2.6
279.17380	6.2
293.71899	1.7
297.18472	33.4
315.19513	100.0
437.23065	5.8
577.36639	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	576.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62084	3.0
53.03942	5.3
55.05513	15.1
57.07053	4.0
59.04979	7.6
61.02945	4.5
65.03908	5.1
67.05500	61.5
69.07068	13.0
71.04990	8.5
73.02911	7.3
77.03902	3.6
79.05045	5.8
79.05490	88.2
79.05952	5.8
81.03394	4.9
81.07055	59.3
83.04981	4.8
83.08620	7.6
85.02896	7.5
85.06541	3.7
87.04465	13.1
89.06039	21.6
89.73969	2.6
91.05473	86.4
93.07040	100.0
95.04990	13.5
95.08596	56.6
96.11573	3.0
97.06534	8.3
97.10183	3.8
101.35323	2.8
103.07567	3.2
103.89730	3.1
105.04496	4.5
105.07021	88.8
107.08586	48.7
109.06518	8.3
109.10155	23.8
111.08057	3.5
117.07018	18.4
119.08574	64.7
121.02868	5.0
121.06487	5.3
121.10132	40.6
123.08058	3.3
123.11683	9.0
124.03951	28.3
125.05991	8.5
127.03907	5.0
129.05513	3.7
129.06976	4.7
131.08553	21.5
133.08586	9.1
133.10124	47.2
135.11679	52.5
137.13237	4.1
138.05499	99.9
139.05852	36.8
139.07553	5.9
140.06042	12.0
141.07010	5.4
143.08565	4.8
145.04924	3.8
145.10155	21.8
147.11693	37.1
149.02379	5.5
149.09636	3.4
149.13255	24.7
155.08562	3.5
157.10141	6.8
159.11710	17.5
161.13274	23.3
163.11168	3.2
166.03123	3.0
169.10118	5.5
171.11739	8.2
173.13243	16.1
175.14812	7.9
177.11288	6.1
183.11642	7.8
185.13319	3.0
187.11220	4.0
189.16295	3.8
193.12286	5.5
201.12761	5.9
211.14716	3.2
213.16347	3.8
215.17923	25.6
221.13988	3.1
229.19397	6.6
231.21069	17.8
239.18031	8.8
249.22054	7.6
257.19012	8.1
275.20050	36.8
293.21149	31.5
452.17773	5.7
466.19247	5.0
558.23724	4.7
576.27057	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	576.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62084	3.0
53.03942	5.3
55.05513	15.1
57.07053	4.0
59.04979	7.6
61.02945	4.5
65.03908	5.1
67.05500	61.5
69.07068	13.0
71.04990	8.5
73.02911	7.3
77.03902	3.6
79.05045	5.8
79.05490	88.2
79.05952	5.8
81.03394	4.9
81.07055	59.3
83.04981	4.8
83.08620	7.6
85.02896	7.5
85.06541	3.7
87.04465	13.1
89.06039	21.6
89.73969	2.6
91.05473	86.4
93.07040	100.0
95.04990	13.5
95.08596	56.6
96.11573	3.0
97.06534	8.3
97.10183	3.8
101.35323	2.8
103.07567	3.2
103.89730	3.1
105.04496	4.5
105.07021	88.8
107.08586	48.7
109.06518	8.3
109.10155	23.8
111.08057	3.5
117.07018	18.4
119.08574	64.7
121.02868	5.0
121.06487	5.3
121.10132	40.6
123.08058	3.3
123.11683	9.0
124.03951	28.3
125.05991	8.5
127.03907	5.0
129.05513	3.7
129.06976	4.7
131.08553	21.5
133.08586	9.1
133.10124	47.2
135.11679	52.5
137.13237	4.1
138.05499	99.9
139.05852	36.8
139.07553	5.9
140.06042	12.0
141.07010	5.4
143.08565	4.8
145.04924	3.8
145.10155	21.8
147.11693	37.1
149.02379	5.5
149.09636	3.4
149.13255	24.7
155.08562	3.5
157.10141	6.8
159.11710	17.5
161.13274	23.3
163.11168	3.2
166.03123	3.0
169.10118	5.5
171.11739	8.2
173.13243	16.1
175.14812	7.9
177.11288	6.1
183.11642	7.8
185.13319	3.0
187.11220	4.0
189.16295	3.8
193.12286	5.5
201.12761	5.9
211.14716	3.2
213.16347	3.8
215.17923	25.6
221.13988	3.1
229.19397	6.6
231.21069	17.8
239.18031	8.8
249.22054	7.6
257.19012	8.1
275.20050	36.8
293.21149	31.5
452.17773	5.7
466.19247	5.0
558.23724	4.7
576.27057	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	576.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90353	0.3
54.82502	0.4
56.05028	0.8
58.06594	0.7
60.08162	6.3
60.26136	0.3
62.84257	0.4
67.05497	0.5
69.92641	1.0
70.06598	0.9
71.07375	3.1
72.08162	0.8
76.11980	0.3
81.07057	0.5
84.08160	0.3
85.11245	0.3
86.09704	31.8
89.06000	0.3
95.08634	0.5
98.98456	2.7
104.10738	3.4
105.07024	1.1
109.06493	0.6
122.14922	0.4
124.37735	0.4
125.00003	20.6
145.02936	0.4
148.57254	0.4
165.12756	0.5
165.74422	0.4
180.17467	1.0
184.07333	100.0
185.07751	0.7
193.48212	0.4
218.04492	0.8
244.60420	0.3
247.87064	0.4
322.10550	0.7
388.40717	0.4
408.99823	0.4
450.58371	0.4
455.35715	0.4
459.42822	1.2
558.35309	0.9
576.26611	0.8
576.36151	1.4
576.50623	0.8
594.64264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05518	3.6
57.07070	73.9
60.08157	2.6
67.05497	4.9
67.42423	1.4
69.07059	4.0
69.82339	3.8
70.06586	8.3
71.08616	2.2
72.08160	9.7
73.06551	1.7
75.71857	1.5
76.07613	1.8
79.05475	2.6
81.07048	3.4
86.09713	7.1
87.04456	14.9
89.06025	100.0
91.05472	8.9
93.07041	9.1
95.04951	5.6
95.08586	4.1
96.27464	1.4
103.05463	4.5
104.10733	35.3
105.07020	4.2
107.07069	3.6
107.08551	3.5
108.08085	1.5
109.06512	1.9
110.09671	5.5
113.13360	1.8
113.17910	1.6
117.07000	2.0
118.07784	4.9
119.04935	5.5
119.08547	6.4
121.06496	39.8
121.10158	1.6
130.08623	1.7
131.04927	1.6
131.07045	7.9
133.07582	3.2
133.08597	62.8
133.10112	2.6
135.08011	4.0
135.11676	1.5
146.02109	2.3
146.98175	5.9
147.08034	13.1
149.09630	5.7
150.06746	4.6
163.11234	1.9
165.09114	20.1
167.10645	1.7
175.09673	3.6
177.11215	26.7
177.12691	2.0
180.17458	16.8
191.10713	3.6
209.11737	7.2
211.13315	1.9
211.30586	1.5
221.13837	7.0
233.18948	25.1
235.13318	5.3
253.14185	2.1
255.15929	2.7
259.20566	4.7
277.21628	35.2
279.16446	1.4
312.26483	1.4
313.27502	3.5
315.18054	1.6
321.24203	9.7
334.30997	5.6
351.33597	1.7
403.23193	2.1
447.25931	16.0
453.30045	3.4
459.24777	13.1
459.43015	40.0
518.32104	17.6
559.38336	20.7
576.33081	2.8
576.40875	4.5
576.50464	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	576.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25970	4.8
55.05508	6.7
57.03429	15.8
57.07073	26.5
67.05495	18.0
69.07028	5.9
69.13603	12.0
69.14012	18.6
69.44736	5.5
71.08617	24.8
77.66154	5.3
79.05482	5.5
81.03404	72.4
81.07046	18.7
83.08595	16.2
85.10160	12.8
87.04448	5.4
89.06021	6.4
91.05453	12.9
93.07050	6.1
95.04945	17.2
95.08595	12.1
98.23430	11.8
105.07015	25.4
109.10175	9.2
111.08054	5.6
119.08565	7.0
121.10132	6.6
124.03895	6.8
125.09570	8.1
131.08534	7.7
147.11694	7.5
157.10139	5.4
175.11281	7.9
183.25890	5.6
192.51079	4.9
193.12212	28.0
220.21144	5.3
267.15872	100.0
313.27274	91.2
371.38766	6.4
505.38614	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83073	24.4
56.40387	24.6
57.07075	38.8
59.70583	20.4
59.98903	23.2
67.05502	42.6
69.07068	43.3
69.31647	98.8
71.08617	25.5
74.15482	21.7
81.03415	100.0
81.07066	51.2
83.08601	32.1
85.10152	31.4
95.04984	46.1
95.08594	39.9
101.13893	22.1
105.07013	45.7
107.04952	26.1
115.91474	23.2
146.39191	23.9
167.69972	24.0
193.12282	38.1
220.74562	22.3
267.15829	97.6
274.65503	23.1
313.27414	93.1
505.38858	28.7
540.27905	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.51
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.0
56.05027	2.1
57.07068	1.5
58.06598	2.3
63.00319	1.3
67.05505	11.5
69.07065	8.3
69.76983	4.1
70.06590	24.5
72.08153	27.1
74.02437	3.7
76.07623	4.7
79.05476	2.1
81.07037	9.4
83.08617	2.4
84.08132	1.8
90.97746	1.3
93.07059	1.6
93.74976	1.1
95.08604	4.3
98.22725	1.3
102.05538	1.9
102.14294	1.1
103.05470	2.4
107.08588	2.3
108.08101	3.0
109.10146	2.8
110.09690	12.3
114.60374	1.3
119.08596	1.2
121.10106	1.8
124.11197	1.6
126.12801	3.8
131.04840	1.3
133.10152	1.4
180.17459	47.5
197.20186	2.1
226.18059	4.0
235.18585	1.2
334.31012	13.2
351.33728	4.9
414.05594	2.7
459.43082	100.0
460.43274	3.1
465.65182	1.3
499.77872	1.2
550.40460	1.7
576.04773	1.4
576.12103	7.6
576.50879	40.4
577.12708	2.6
577.51123	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	577.074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	0.7
56.96569	5.3
69.03403	1.6
79.81783	0.7
81.03378	1.4
84.96010	1.1
85.02893	1.7
92.72906	0.7
97.02859	3.2
103.05453	1.0
109.00124	0.7
109.02845	0.9
110.73653	0.7
119.04919	1.1
121.06493	0.8
127.03923	1.2
131.04901	2.5
134.07214	1.3
152.01004	2.1
153.01762	1.7
161.01756	0.7
165.01845	4.6
183.02933	1.9
183.16577	0.8
194.96034	0.8
198.01564	3.0
208.48911	0.8
212.96985	1.8
221.01158	1.4
231.00139	0.8
239.02191	2.0
253.01805	1.0
254.05602	0.8
255.02989	0.9
263.03131	9.3
265.04727	2.2
268.07349	2.0
270.05103	2.3
271.02789	3.5
271.05490	0.9
281.01111	3.6
283.06256	0.8
284.77402	0.9
285.07605	6.9
289.03665	1.2
291.02621	90.3
292.03040	2.9
293.04120	2.2
297.07230	1.0
299.02261	4.3
299.05487	13.0
307.02292	5.7
309.00745	3.4
309.03714	30.9
313.07098	10.7
314.07864	9.2
317.03253	1.4
327.01740	20.9
327.05545	1.3
328.01746	0.8
329.10168	100.0
330.10519	3.1
337.87823	0.9
344.02115	1.2
345.02795	98.2
346.03159	3.4
363.03848	16.4
368.04379	1.7
407.01324	0.9
508.21130	0.8
521.05426	3.1
539.06458	4.0
549.04889	8.7
549.59180	0.9
550.06226	0.9
567.05896	3.7
577.04388	34.0
578.04791	2.2
595.05267	10.3
602.09521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01849	0.6
67.05502	0.8
67.81671	0.5
69.03418	2.1
71.42790	0.6
73.02889	0.6
81.03406	2.1
85.02901	3.8
86.25043	0.5
87.00858	0.6
91.05477	1.9
93.07023	2.2
95.04926	0.6
95.08605	1.8
97.02885	2.1
99.04438	0.6
101.02370	1.6
103.05472	0.6
105.07024	0.9
107.08562	3.3
109.02888	1.0
109.06522	0.7
109.10146	1.8
114.57960	0.5
118.04152	1.6
119.04926	0.8
119.08585	1.8
123.04364	0.6
127.03910	2.0
128.06143	0.6
128.24174	0.5
131.04895	1.1
131.08575	0.6
133.10135	2.3
136.01572	0.7
141.70546	0.5
143.08682	0.6
145.04976	1.2
147.04372	1.2
149.05933	2.3
152.01021	0.7
153.01822	1.3
154.07756	0.5
154.40688	0.5
161.05948	0.6
161.09608	1.6
163.07524	3.3
169.01350	0.9
171.07968	0.8
173.05875	0.5
175.03862	0.7
175.07535	2.7
177.05547	3.0
177.09097	7.7
182.02095	0.7
185.06017	0.5
189.05415	0.9
189.09102	1.6
191.07024	1.2
195.08052	0.9
197.04459	1.8
198.01611	0.7
201.09059	1.4
203.07013	13.9
203.10774	0.6
205.08533	0.9
209.09621	1.1
213.09142	2.4
215.10667	3.1
216.11420	0.7
217.08565	10.5
219.10136	0.6
223.11128	1.0
225.05600	0.7
227.10646	6.3
228.11401	0.9
229.08574	2.0
229.12288	0.8
230.09096	0.8
241.08633	0.7
241.12195	1.9
243.10101	0.8
245.06485	0.8
251.10703	1.7
251.14168	0.7
253.04919	1.6
253.12213	1.0
254.05701	4.2
255.10187	1.4
267.13702	0.7
268.14517	0.9
269.04416	0.9
269.11703	4.7
269.15323	7.1
270.05142	0.6
271.05960	11.3
281.04456	1.1
281.11588	0.9
282.05200	3.9
282.12570	0.6
283.06036	2.4
283.16901	3.7
286.04642	0.6
291.02554	0.7
293.15375	1.8
296.14081	1.0
299.05557	8.3
299.08920	1.0
300.06256	13.3
307.02078	2.0
311.16373	46.8
312.16644	0.8
315.08594	100.0
316.08884	2.8
329.17499	3.0
414.17499	0.8
415.17612	1.7
451.01196	0.6
471.16293	0.6
577.26172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
56.04981	0.3
60.45847	0.3
61.01122	0.4
62.49142	0.2
67.05470	0.4
68.99778	2.1
69.03387	0.4
69.07040	1.1
70.06236	0.3
70.06585	2.9
72.08118	0.9
72.79163	0.2
79.05475	0.5
82.06551	0.4
83.45932	0.3
84.04465	0.3
84.08126	1.6
85.02873	0.5
86.09674	1.0
87.04459	0.4
87.77571	0.2
91.05440	0.7
93.07005	0.5
97.06533	2.9
101.55711	0.3
104.07097	0.4
107.04990	0.3
118.06863	1.6
119.04931	4.3
120.08065	0.4
121.02869	2.8
121.06454	0.3
123.00756	0.5
123.04433	0.3
129.10236	1.8
131.01384	0.3
137.02307	0.3
139.00246	5.1
141.01770	0.3
147.04398	1.5
163.03885	1.0
168.00522	1.1
169.01347	1.2
173.05940	0.4
181.01314	0.4
186.01573	0.6
205.09602	0.3
207.06485	0.3
221.04419	0.7
229.04944	0.4
239.05435	0.5
241.04932	0.9
244.13190	0.3
247.06070	0.6
257.04431	37.0
258.04816	1.2
265.07040	1.9
269.04388	0.9
270.05130	0.3
273.03998	0.6
274.15723	0.6
285.03912	26.9
286.04672	8.6
287.05472	21.5
288.05753	0.4
299.05542	0.3
323.09412	0.3
339.08820	0.5
369.09637	0.9
373.22476	0.4
383.11227	100.0
384.11530	3.4
397.09338	0.5
401.12302	17.9
415.10541	0.3
454.62726	0.3
509.91199	0.3
559.14484	4.5
577.15442	1.1
577.24493	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	577.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
64.19505	0.3
69.03418	0.7
69.76430	1.2
75.75528	0.4
81.03412	1.1
82.40178	0.3
85.02896	1.3
87.00819	0.7
91.05472	0.8
97.02864	0.7
109.02875	0.7
119.04918	1.5
121.06506	0.5
127.03893	0.5
131.04955	0.5
134.07236	0.8
135.04434	0.6
136.01498	0.4
137.02325	0.8
152.01044	1.6
153.01817	1.1
156.54808	0.3
165.01831	4.1
180.00554	0.6
181.01341	0.8
183.02863	2.6
198.01595	3.2
239.06668	0.5
254.05708	0.9
255.06342	0.3
268.07327	1.2
270.05179	1.4
282.05188	0.4
283.06006	1.4
285.07498	6.8
286.05142	0.4
291.02606	0.7
296.06891	0.5
297.04279	0.5
297.07504	1.4
299.05475	13.3
313.07031	9.3
314.04340	0.6
314.07813	9.1
329.10159	100.0
330.10376	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	577.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62492	0.3
59.97332	0.2
69.45042	0.9
73.02899	0.3
81.03414	0.4
85.02892	0.4
87.04469	2.4
88.04794	0.4
89.06039	0.4
108.02090	3.7
108.02769	0.4
124.03956	0.6
132.05710	3.3
133.06487	5.3
135.04401	2.3
136.01535	2.3
138.05493	0.4
154.02635	2.4
169.06483	0.6
170.02025	0.3
175.73859	0.3
183.08020	0.3
184.08754	0.4
197.05974	0.5
212.08372	0.3
225.05409	0.3
240.07800	2.5
267.06418	0.2
268.07288	32.0
269.07535	1.1
271.06104	0.8
284.06744	0.8
285.07587	0.8
296.06775	25.9
297.07202	1.0
299.05508	0.6
313.07047	1.6
314.07828	11.1
315.08282	0.3
327.61145	0.2
329.10159	100.0
330.10516	4.1
578.23962	0.3
589.39270	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	577.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	1.0
65.67452	0.5
68.01384	1.2
68.99781	2.9
69.49524	0.4
69.94554	0.5
69.94886	1.3
70.06571	2.0
70.24814	0.5
79.05471	1.2
80.01373	0.8
81.67538	0.6
91.05463	2.3
92.99750	0.6
94.02877	0.5
95.04960	1.5
96.04436	0.6
98.02422	0.5
103.05468	15.9
105.03378	0.9
105.04513	0.6
105.59028	0.5
107.04945	1.4
108.04460	0.6
110.02397	2.0
118.02836	0.5
120.04431	1.0
121.06492	1.6
122.02396	4.4
131.04926	35.1
132.05266	1.0
133.03960	0.6
134.02342	1.1
134.04755	1.2
136.00304	2.2
136.03931	2.5
138.01862	12.4
140.03435	3.0
146.02322	0.5
147.01892	3.2
148.03874	0.8
150.01868	6.2
152.03445	0.9
154.01329	5.0
155.04918	0.6
156.02899	1.3
162.01886	0.6
162.04277	2.4
164.03419	20.9
166.01364	12.8
167.02156	0.9
168.02919	5.7
176.03441	1.6
178.01349	60.3
179.01707	1.0
181.06482	0.7
182.04491	1.1
184.02432	3.6
185.03186	1.0
187.06880	0.5
189.02939	13.8
190.03702	1.1
190.04994	4.0
192.02905	39.3
196.00584	0.9
196.02400	17.8
202.05135	0.8
203.04544	1.2
204.02904	7.3
205.03682	1.2
207.03993	12.7
208.07593	0.7
210.03964	10.3
212.07205	0.6
217.02454	0.7
218.03229	1.8
220.02458	3.1
220.04292	0.5
222.03992	2.3
225.05444	6.2
226.08665	0.9
230.04565	1.0
231.03989	1.1
235.03542	1.5
236.04295	7.8
240.06531	1.8
242.08102	1.9
245.05569	3.9
247.08591	0.6
250.08751	0.8
254.08150	1.5
266.07983	0.8
268.09604	1.4
270.07553	5.9
272.09171	0.7
278.07999	0.5
280.09918	0.5
282.07602	65.6
283.07983	1.8
293.09103	1.2
296.09161	100.0
297.09518	3.0
303.07544	1.4
306.07629	0.7
308.09332	2.7
308.12531	0.7
321.08740	2.7
322.09409	1.6
324.04889	1.5
352.04401	1.2
376.11929	0.6
456.10922	1.9
560.16913	2.2
577.15924	69.1
578.16302	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	577.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48034	0.9
60.80936	1.0
67.05509	1.1
68.99799	2.1
70.06590	46.0
91.05466	1.9
95.04967	5.4
103.05465	32.9
105.03442	1.3
105.04525	1.5
115.05443	1.0
118.66827	1.1
131.04921	74.2
132.05309	2.1
138.01927	1.4
166.01378	2.0
172.05734	1.2
172.07404	1.1
186.05544	2.7
192.03154	1.2
200.07056	2.2
200.10703	1.8
202.04997	1.6
204.06573	1.4
212.07167	1.2
214.05086	3.3
216.06601	1.4
222.05687	1.4
225.04181	1.6
226.04999	1.4
228.06548	3.2
230.04469	1.8
232.06091	2.0
238.04936	1.4
240.06522	6.8
242.04456	6.0
244.02435	2.4
250.05141	3.1
252.06526	2.2
253.03654	2.3
254.04396	3.5
256.02356	2.0
256.06125	3.9
258.03824	1.2
260.05685	3.1
268.02899	1.7
268.06073	11.0
270.04044	5.3
270.07654	1.6
272.01862	2.2
278.04596	3.2
280.05923	2.0
281.03238	3.4
282.04126	2.1
284.02029	1.4
284.05630	1.7
285.99890	5.9
286.03119	1.8
286.07407	1.1
288.05081	1.7
290.02945	1.2
294.03952	2.4
296.02179	2.1
296.05432	13.9
296.08453	1.5
298.03470	15.9
298.06735	1.7
300.01727	1.1
300.05115	1.4
306.04080	5.1
308.05545	2.9
309.02609	14.5
309.05597	1.4
310.03220	2.6
312.01407	3.1
312.05154	4.3
314.06616	2.0
316.04593	4.3
323.06775	1.7
324.01370	4.0
324.04977	43.2
325.05450	2.2
326.03006	9.8
326.06744	5.4
334.03558	3.5
336.04620	1.4
342.06104	13.9
344.07632	1.2
351.06119	3.9
352.04431	44.9
370.05582	5.9
390.09705	1.6
400.12289	1.9
402.09790	3.6
404.07639	2.6
408.07236	2.1
410.10406	2.0
412.11899	3.5
414.09616	2.0
428.11722	5.5
429.14572	2.2
430.08981	8.9
430.13126	9.9
434.08841	1.3
438.09927	1.3
443.09671	1.4
444.10834	1.5
446.08682	1.5
447.15585	1.7
448.10321	1.7
455.12363	2.5
456.10739	63.3
457.11234	3.9
473.13464	27.2
474.11908	22.9
475.12161	1.5
508.13925	4.9
518.15955	1.3
520.13977	1.5
532.13135	4.8
534.15546	11.6
542.08710	1.2
542.16052	3.1
547.15662	1.4
548.16901	1.7
559.18719	9.8
560.10419	3.2
560.17072	71.1
561.17432	5.8
577.19672	100.0
578.20630	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	577.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
66.32024	0.9
67.05499	1.6
69.03432	3.0
69.07042	1.2
79.05501	2.3
79.42538	0.9
81.03426	2.2
81.07029	1.0
85.02893	4.1
87.00797	1.1
91.05490	2.8
93.07045	4.5
95.04940	1.0
95.08604	3.8
97.02903	2.1
99.04474	1.3
103.05472	1.3
105.07029	1.8
107.08591	6.0
109.02845	1.1
109.10166	3.3
115.05408	1.2
117.07006	1.2
119.04964	1.1
119.08574	3.4
120.47758	1.1
127.03931	3.2
131.04924	2.6
133.10126	4.3
143.08559	1.6
145.05019	1.5
147.04445	0.9
149.05963	4.6
161.06067	1.1
161.09599	2.5
163.07541	9.4
169.01309	1.7
175.07527	5.3
177.05486	7.2
177.09091	14.3
181.10150	1.0
183.07986	0.9
187.07536	1.6
189.05440	1.7
189.09178	2.7
191.07042	3.7
194.10889	1.1
194.77751	1.0
195.08110	1.3
195.11734	1.3
197.09660	1.6
201.09140	2.9
203.07008	27.1
203.10596	1.6
205.08504	1.6
207.91769	1.1
209.09630	2.9
211.11142	1.5
213.09105	4.1
215.10643	6.5
216.11507	1.1
217.08556	21.1
217.10432	1.5
223.11157	4.0
225.09196	1.1
226.09906	1.0
227.10658	13.1
228.11267	1.6
229.08632	3.5
231.10065	1.1
235.11252	1.1
241.08551	1.7
241.12219	3.4
243.10091	1.9
251.10657	4.9
251.14311	1.0
252.11281	1.1
254.05806	2.7
254.09447	1.1
255.10229	3.3
268.14529	1.3
269.11765	9.4
269.15350	14.9
271.05942	5.8
278.12949	1.9
282.05206	3.2
282.12524	1.1
283.16876	8.2
291.02661	2.9
293.15353	4.9
296.13959	1.5
299.05560	7.0
299.08911	1.7
300.06235	8.5
307.02112	5.6
309.03574	1.3
311.16382	100.0
312.16699	3.3
315.08591	58.4
316.08966	2.3
329.10120	5.5
329.17456	7.9
356.33786	1.0
415.08408	1.5
415.17749	2.3
432.63303	1.1
441.03235	1.1
577.23053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.1
53.03947	0.3
54.25251	0.1
65.03942	0.2
67.05518	0.1
69.53141	0.4
77.90115	0.1
78.03452	0.8
79.04203	0.2
79.05474	0.1
80.05009	4.5
81.07049	0.2
91.05468	0.3
93.07044	0.2
95.08555	0.1
96.04483	4.1
97.02861	0.1
98.23447	0.2
103.05468	0.6
105.07006	0.3
106.02908	1.1
107.04948	0.2
107.08564	0.2
119.08591	0.3
121.10112	0.2
124.03944	100.0
125.04282	1.3
131.04912	1.4
131.08508	0.2
133.10141	0.2
135.08008	0.1
140.03412	0.2
141.06967	0.2
145.10104	0.3
147.11685	0.3
149.02318	0.2
156.09343	0.2
157.10133	0.4
159.07979	0.1
159.11687	0.3
167.03407	0.2
168.02895	0.2
169.10098	0.3
171.11679	0.5
173.09612	0.2
173.13307	0.2
177.01843	0.3
181.10139	0.2
183.11659	0.2
185.13245	0.2
187.14809	0.2
191.03391	0.1
193.10089	0.2
194.04428	0.2
195.02902	0.3
195.11687	0.2
196.12436	0.1
197.13269	0.2
198.14027	0.1
201.12694	0.2
202.08618	0.3
203.03328	0.3
206.04485	0.2
207.11719	0.2
208.12086	0.1
211.11104	0.1
211.14851	0.9
213.16260	0.1
215.14304	0.6
216.15067	0.1
225.16260	0.2
228.06491	0.2
230.08211	0.1
231.10124	0.1
235.14871	0.5
236.15276	0.1
245.29956	0.1
249.16434	0.3
253.12132	0.3
253.15819	0.3
256.06165	0.2
267.17416	0.2
271.05957	0.1
271.16977	0.1
281.07996	0.1
285.14981	0.2
285.18430	0.3
292.16861	0.2
295.16913	1.2
298.10876	0.2
307.09610	0.3
313.04611	0.2
313.17944	2.9
324.04953	0.1
331.19022	0.4
342.06223	0.2
366.27878	0.1
370.05582	0.9
436.21182	3.2
437.21436	0.3
454.22189	2.2
464.13434	0.2
469.57275	0.1
473.09830	0.2
474.11761	1.3
577.16022	1.0
577.25299	1.8
578.17413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.1
53.03945	0.4
54.70813	0.1
71.38245	0.2
78.03441	1.0
80.05014	4.3
80.32504	0.1
81.05345	0.2
86.41006	0.1
91.05498	0.1
96.04488	3.0
106.02910	0.2
119.08594	0.8
124.03951	100.0
125.04287	1.3
140.03459	0.1
155.06975	0.2
157.10019	0.2
169.10101	0.1
171.11615	0.2
173.13245	0.3
194.47818	0.1
197.13307	0.3
220.07326	0.2
227.16496	0.2
236.15257	0.2
258.24075	0.2
313.17963	1.4
454.22241	8.1
455.22403	0.6
577.25525	3.0
578.25610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82159	0.4
51.02366	0.8
53.03936	0.8
55.01858	0.5
55.05498	0.7
56.12141	0.4
59.04977	0.8
61.99088	0.4
67.05512	2.5
69.03431	0.9
69.61956	1.2
71.04990	0.6
73.02913	0.5
78.03452	8.5
79.05479	1.6
80.05009	4.6
81.07045	2.6
83.04969	1.0
87.04461	2.5
88.04791	0.5
89.06029	1.2
91.05486	2.3
93.07039	2.0
95.04955	1.3
95.08573	0.9
96.04488	4.9
97.02885	1.0
97.06530	0.9
98.22699	0.8
105.07027	2.9
106.02908	17.4
107.08590	1.4
109.06509	3.4
111.04430	0.7
111.08119	0.5
116.06228	0.4
117.06993	1.0
119.08571	3.1
121.10152	1.1
124.03945	100.0
125.04292	1.4
127.01572	0.8
128.06230	0.9
129.07007	1.1
130.07797	0.5
131.08569	2.4
133.08559	0.6
133.10106	1.8
136.47781	0.4
138.05438	0.5
139.07524	0.4
141.06963	0.8
142.07785	1.0
143.08551	3.3
145.10123	2.4
149.09648	0.5
152.06223	0.5
153.03105	0.5
153.07018	0.6
155.08525	2.4
156.09332	1.8
157.10146	3.3
158.10902	0.6
159.07999	0.5
159.11699	3.0
161.09564	0.5
165.07034	0.6
167.08580	1.5
168.09340	0.9
169.10139	4.8
170.10921	1.7
171.11668	2.9
173.09605	0.7
173.13272	1.8
175.11186	0.5
178.07788	0.7
179.08516	1.2
181.10132	1.6
182.10925	1.5
183.11659	2.9
184.12453	3.6
184.97075	0.4
185.09518	0.4
185.13301	2.8
187.11157	0.8
192.09331	1.7
193.10062	3.0
194.10921	0.8
195.11661	1.3
196.12492	1.1
197.09605	0.5
197.13252	6.1
197.14888	0.6
201.12680	1.0
205.10109	1.2
206.10944	1.3
207.11612	3.3
208.12387	1.0
209.13229	1.4
211.11177	0.6
211.14844	1.9
215.14311	0.7
219.11667	0.7
220.12482	3.3
221.13211	1.8
221.73381	0.4
223.14882	0.6
225.16415	0.8
235.14824	5.4
249.16408	1.2
253.16003	0.9
255.14149	0.5
271.17139	0.5
277.15869	0.7
280.14667	0.6
289.18033	0.6
295.16992	1.1
313.17953	6.3
331.19000	0.9
436.21185	11.5
437.21844	0.9
444.68353	0.5
454.22217	25.1
455.22433	1.6
559.23907	0.9
577.25409	45.8
578.25891	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.1
51.02370	2.3
51.40174	0.5
53.03949	1.4
55.01863	0.6
55.05516	1.3
59.64441	0.5
59.87596	0.5
67.05500	4.0
69.03414	1.4
69.07052	1.1
69.41408	1.4
69.41817	1.4
78.03452	26.9
79.03796	0.7
79.05499	2.9
80.05020	5.9
80.05463	1.0
81.03390	0.8
81.07048	3.4
83.04976	1.2
87.04453	1.1
89.06035	1.7
91.05474	4.1
93.07033	3.9
95.04961	1.9
95.08604	3.0
96.04494	8.9
97.02903	1.8
97.06561	0.7
99.44368	0.5
105.07015	6.7
106.02914	58.9
107.03230	1.0
107.04922	0.8
107.08598	4.6
107.35050	0.6
109.06503	1.9
111.04446	0.9
111.08110	1.0
117.07002	1.8
119.08575	7.5
121.03858	0.5
121.06528	0.8
121.10136	3.3
123.08047	0.9
124.03949	96.8
125.04312	4.5
126.04401	1.0
127.01666	0.7
128.06221	0.7
129.07007	2.1
131.08560	4.7
133.06413	0.6
133.10136	4.3
135.08044	1.9
135.11649	1.3
137.09634	1.0
138.05482	2.1
141.06934	0.8
142.07787	1.3
143.08551	3.0
144.09320	0.9
145.10144	5.8
147.08029	1.2
147.11699	1.9
149.09599	2.4
155.07343	0.6
155.08574	2.2
156.09320	2.7
157.10124	6.7
158.10898	1.1
159.08043	1.4
159.11676	7.7
161.09619	1.5
161.13248	0.6
167.08580	1.8
169.10146	4.7
170.10887	3.0
171.11653	5.8
172.12386	1.0
172.16916	0.6
173.09692	1.2
173.13234	5.8
175.11209	2.0
175.14856	0.7
179.08522	0.7
181.10110	2.5
182.10892	1.9
183.11691	3.5
184.12512	1.0
185.13249	3.2
187.11226	1.6
187.14845	2.2
192.09366	0.9
193.10110	1.6
194.10938	1.2
195.11676	2.7
196.12422	1.9
197.13254	4.3
199.14699	0.7
201.12741	2.2
202.13515	0.6
203.10620	0.7
205.10060	0.9
207.11703	2.3
208.12454	1.0
209.13283	4.4
210.13976	2.0
211.11131	1.0
211.14792	4.4
215.10797	0.6
215.14381	0.9
220.12480	2.4
221.13293	1.5
223.14868	1.5
225.16376	2.6
229.06056	1.0
235.14798	2.6
239.18150	0.6
249.16513	1.5
251.14319	0.6
253.15909	1.8
267.17490	1.1
269.15524	1.2
270.68970	0.6
271.16934	1.7
282.47577	0.6
287.16452	2.5
289.17993	1.5
295.17026	1.8
313.17889	3.1
331.19086	1.4
454.22250	2.5
577.25409	100.0
578.25836	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	577.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
57.30626	0.6
67.05491	1.5
67.97569	0.5
71.92058	0.7
78.03463	0.9
79.05473	1.3
79.63679	0.5
80.05001	4.3
81.05359	1.0
81.07034	2.1
89.06024	1.2
91.05479	1.0
93.07040	1.8
95.04916	0.7
95.08580	1.0
96.04482	3.8
98.98486	0.9
105.03390	5.3
105.07047	3.3
106.02930	0.9
106.03693	1.5
107.08577	1.8
111.04427	1.9
117.06997	0.7
119.08580	2.0
121.10141	0.6
124.03940	100.0
125.04292	18.7
131.08546	1.1
133.10159	0.6
139.03839	1.3
143.08577	1.1
145.10097	1.2
157.10117	1.6
159.11731	0.7
161.23854	0.6
169.10109	0.8
171.11644	1.2
173.13145	0.6
185.13254	0.7
187.14738	0.7
191.06848	1.9
193.04898	0.6
197.13312	1.0
211.14989	0.9
235.14719	0.8
236.15152	0.7
251.08931	1.5
261.21939	0.7
281.15222	0.6
286.19000	0.7
294.15860	1.1
295.16998	0.8
296.17599	0.9
313.17950	1.6
314.18359	1.2
401.19287	11.9
461.21405	37.5
462.21664	2.1
577.26093	88.9
578.25232	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	578.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02312	0.9
53.03876	3.5
53.04142	1.6
55.01823	1.0
57.23233	0.6
62.12680	0.8
64.84296	0.7
65.03854	10.2
65.04222	1.7
68.99707	3.4
69.48463	3.4
77.03876	1.0
78.20745	0.7
79.05401	4.9
81.03315	6.0
83.04920	0.9
91.05473	5.8
93.03299	3.1
95.04857	2.2
98.23446	1.3
99.54480	0.7
103.05464	23.2
105.03293	2.0
105.04449	1.2
105.06922	0.8
107.01191	0.7
107.04951	7.4
109.02779	2.3
110.05928	2.3
110.74612	0.8
110.97958	0.8
111.04352	0.9
117.06904	1.1
119.04839	3.1
121.02868	15.1
121.03683	1.0
124.03841	2.8
125.59881	0.7
129.03342	1.4
130.06551	1.0
130.32565	0.8
131.04922	66.3
132.08084	4.2
133.02803	0.9
134.09509	2.6
135.04285	2.6
136.03842	1.8
137.02206	1.2
145.02725	1.3
146.05942	1.0
147.04428	5.5
148.03767	2.2
149.02324	9.5
151.03815	0.8
154.04951	1.0
156.08000	1.0
158.05890	1.2
159.04364	1.3
160.07547	4.0
162.05380	1.5
163.03790	2.9
164.03323	1.8
165.01730	3.1
165.04044	1.1
166.04861	1.1
167.03391	17.6
168.02907	8.8
168.08011	1.4
172.07486	2.4
173.02214	2.0
173.05888	1.3
174.09023	3.2
175.03912	6.9
176.03296	0.9
176.06947	1.5
177.01822	24.0
177.05295	1.5
178.04965	5.4
178.08542	1.7
180.02875	1.6
184.07578	4.5
186.05481	6.1
188.06979	2.4
189.01859	6.2
190.04820	1.0
191.03378	8.6
192.02725	1.3
192.06429	1.2
193.04909	3.7
194.04480	15.3
195.02879	27.6
196.07391	1.3
198.05261	0.9
200.06935	2.0
201.01816	4.1
202.02582	1.1
202.04831	1.1
202.06796	1.2
202.08617	23.6
203.03389	19.4
204.06429	2.7
205.04932	6.2
206.04489	17.2
207.04985	1.3
212.06963	1.1
214.05124	1.2
216.06490	2.2
218.08095	0.9
220.06128	1.5
221.04308	2.7
224.07056	1.6
226.04837	1.1
226.08466	0.9
228.06554	14.7
229.07114	1.5
230.08119	8.7
232.05951	1.6
240.06473	1.5
242.08005	2.1
244.05930	1.8
246.07535	1.3
252.06416	2.1
253.08580	1.1
254.04279	1.1
256.06036	12.9
258.07535	3.8
268.05893	1.8
270.07547	5.6
270.10202	0.7
272.05600	2.6
272.09082	5.6
274.06985	2.5
279.10065	1.6
280.05951	4.2
280.09467	1.9
281.05542	0.7
281.08118	7.8
282.07440	1.3
284.05551	5.9
295.09320	0.8
296.05389	2.4
298.07034	2.4
298.10654	11.6
300.05048	1.8
300.08365	1.5
302.06482	2.8
306.03894	1.1
307.09622	24.1
308.05420	2.6
308.09497	1.5
310.10699	2.6
314.06516	3.5
324.04968	4.1
326.06583	6.4
342.06094	8.9
344.07529	1.1
345.02759	0.8
346.05493	3.2
352.04532	6.6
360.07086	6.2
360.11526	1.4
370.05554	66.4
371.05750	2.4
384.12296	1.0
388.06870	1.8
388.11636	1.1
402.13422	1.5
412.11792	1.3
430.12863	4.2
432.10806	1.1
446.12451	6.1
448.13980	3.6
450.11621	3.4
456.10858	7.2
464.13437	18.4
474.11847	100.0
475.12128	5.0
492.12833	1.9
534.19037	1.1
550.18616	1.7
558.33496	0.8
560.17365	4.0
578.18054	44.8
579.18457	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	578.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02311	0.8
53.03839	2.4
55.01785	0.7
61.36861	0.6
65.03821	7.8
65.04205	2.1
65.61106	0.6
68.99680	3.1
79.05370	3.7
81.03284	3.9
81.06924	0.7
91.05344	5.0
93.03270	2.6
95.04852	1.8
102.23021	0.7
103.05315	15.7
103.06074	1.7
104.05598	0.9
105.03296	0.9
105.04429	0.8
105.06920	1.3
107.04802	6.5
109.02730	1.8
110.05869	2.0
111.04330	0.8
117.06874	0.8
119.04774	2.8
121.02702	12.9
121.03682	1.4
124.03819	1.0
129.03297	1.2
131.04932	49.3
131.05841	2.8
132.05151	0.9
132.08069	3.9
134.05809	1.0
134.09460	2.2
135.04262	1.9
136.03763	2.0
137.02191	1.4
141.04008	0.6
146.05888	0.8
147.04358	3.0
148.03848	1.4
149.02335	8.4
158.05887	1.2
160.07591	4.3
160.66167	0.7
160.67711	0.7
161.05775	0.8
162.05345	1.0
163.03749	1.3
163.65567	0.7
164.03290	1.2
165.01682	1.8
165.04037	0.7
165.05339	1.0
166.04843	0.7
167.03392	14.1
168.02925	6.5
170.04408	0.8
172.07407	2.7
173.02229	1.0
173.05879	0.9
174.08960	2.5
175.03915	6.2
176.03291	1.0
176.06963	1.2
177.01826	18.4
177.05260	1.2
178.05008	4.4
178.08571	1.1
180.02771	0.8
184.07605	3.3
186.05528	8.3
186.08998	0.7
187.03642	0.8
188.06862	2.0
189.01814	5.2
190.08553	0.9
191.03409	7.8
192.06493	1.2
193.05078	3.6
194.04489	11.4
195.02895	25.2
196.02357	0.8
196.07529	0.7
200.07132	3.3
201.01837	3.5
201.07695	1.3
202.02382	1.9
202.05244	0.8
202.08635	22.0
202.99431	1.3
203.03384	16.2
204.06435	1.1
205.04965	5.9
206.04466	14.9
207.04782	1.0
212.06958	0.8
214.04907	1.1
214.08516	1.4
216.06416	1.5
218.04344	1.7
218.08025	1.2
220.02213	0.8
220.05971	1.3
221.04289	2.3
224.07047	1.3
226.04881	0.9
228.06537	13.4
229.04811	0.8
229.06970	1.5
230.08139	5.5
232.05922	2.1
238.04961	1.0
240.06471	1.1
242.07962	2.1
244.05865	1.3
246.07472	1.7
252.06468	2.5
253.08342	0.8
254.04419	0.9
254.08017	0.8
256.06039	15.2
257.06577	0.9
258.07468	2.0
268.06003	1.6
270.07642	4.3
272.05399	2.3
272.09006	3.8
274.07159	3.3
279.02374	1.0
279.10068	1.1
280.05951	3.2
280.09299	1.2
281.08105	5.3
282.03909	1.4
282.07471	1.1
284.05374	6.2
284.08575	1.2
291.02618	0.9
293.03946	0.9
296.05396	1.9
298.07010	2.7
298.10587	8.3
300.04950	2.1
300.08380	1.1
302.06393	2.2
306.04007	0.7
306.26910	0.6
307.05997	1.4
307.09607	17.6
308.05719	2.8
308.09409	0.7
309.03549	1.0
309.11166	1.2
310.10678	1.2
314.06470	2.0
324.04959	3.4
326.06604	4.6
328.04446	1.0
339.57327	0.7
342.06107	5.5
344.07217	1.0
345.02805	0.8
346.05954	0.8
352.04456	6.4
360.07065	3.0
360.11877	1.2
370.05573	71.9
371.05853	3.0
388.06586	1.6
388.11444	1.5
402.13336	1.1
406.12970	0.8
412.11780	1.2
428.11258	1.7
430.12964	2.6
442.05252	1.2
446.12415	3.6
448.13892	2.3
450.11960	2.0
456.10980	4.7
464.13538	10.8
474.11856	100.0
475.12106	5.9
534.19128	1.0
550.18823	0.9
560.09387	1.9
560.17346	2.9
561.17267	1.2
578.18182	35.9
579.18494	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	578.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01870	1.1
55.05511	5.0
57.03433	2.1
61.02924	1.4
61.04243	0.5
63.64422	0.5
65.03936	0.7
67.05508	2.2
69.03427	5.9
71.04976	0.9
73.02932	0.7
75.41618	0.7
81.03399	3.1
83.04977	39.5
84.04491	1.4
85.02898	100.0
86.03246	0.9
87.00821	6.6
87.04465	0.9
91.05491	1.3
97.02883	11.5
98.22695	1.4
99.04453	2.0
103.05427	0.7
105.01865	11.9
109.02871	5.8
111.03663	1.3
111.04433	24.8
112.04740	0.6
117.52378	0.5
119.04964	0.9
123.07977	0.6
127.03905	19.1
129.05467	13.2
130.05003	1.1
131.04924	0.6
133.10074	0.8
137.05957	0.6
145.04974	4.6
151.03906	1.6
151.07515	4.7
155.03262	0.5
159.02907	1.6
163.07507	0.7
169.01350	0.6
171.06508	89.3
172.06854	0.9
175.34637	0.6
213.03951	1.3
231.05119	4.5
231.08620	14.2
249.06026	1.4
253.11363	0.7
253.57190	0.6
255.01831	0.7
265.07016	0.8
271.05878	1.4
273.07468	1.1
279.06479	1.6
285.02124	1.8
303.03152	1.1
309.07523	1.4
321.07547	1.3
331.08145	0.6
363.08517	1.1
393.09540	0.8
433.85904	0.7
441.11703	1.1
449.10223	0.9
458.08618	0.7
525.12909	0.8
578.28601	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	1.1
61.04042	6.0
65.92169	0.9
69.08761	5.8
73.02924	1.2
73.04037	31.5
78.41304	0.9
81.07050	2.2
87.04478	1.3
89.06026	3.0
98.22664	1.7
103.05492	1.3
117.34401	1.1
120.98666	1.0
124.03967	1.7
125.01521	5.3
127.01566	1.4
129.07019	1.4
130.07777	2.6
133.08578	1.6
139.01538	1.5
139.03075	1.3
151.03101	3.3
153.03102	2.3
165.04659	21.7
177.08998	1.1
182.07355	2.2
199.22327	1.0
225.07973	5.0
232.95317	1.3
281.14130	100.0
282.14389	2.3
330.17532	1.1
447.57953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31680	0.9
59.05000	100.0
69.03429	1.3
69.51011	1.0
69.51348	3.6
70.06600	0.9
70.54419	0.9
71.40152	0.9
73.02924	2.5
73.06549	3.9
75.00317	0.9
79.52070	1.0
82.06573	1.2
85.09187	0.9
86.09703	1.6
87.04466	14.4
89.06028	84.7
90.06413	1.2
91.05498	1.5
98.22743	1.5
99.44466	0.8
103.07576	80.2
105.06950	0.9
107.07060	1.9
108.71930	0.9
110.06018	1.6
115.80923	0.8
117.09138	3.2
119.04945	1.3
120.08113	1.3
121.02895	1.2
127.02995	0.8
127.03922	1.1
131.07037	4.1
133.08600	50.4
147.04416	2.4
147.10159	35.0
167.07069	3.4
175.03955	1.1
175.09637	2.3
177.11212	17.0
191.12808	1.9
207.06618	1.5
219.43288	0.9
221.13876	2.7
331.08026	1.7
561.34613	3.4
578.21417	1.2
578.37964	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	578.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
55.05513	12.1
57.03442	8.2
59.05024	3.1
67.05505	43.7
67.05831	5.9
69.07072	15.7
69.27849	13.6
69.28248	5.7
76.39661	3.3
79.05488	30.2
81.07052	38.0
83.04967	4.0
83.08619	9.3
87.04504	3.2
89.06029	7.4
91.05481	17.9
93.07032	35.0
95.04956	6.3
95.08598	41.3
97.06535	4.4
102.31463	3.4
105.07019	33.2
107.04952	6.1
107.08583	23.9
109.10161	4.9
117.07002	5.5
119.08569	13.6
121.06484	4.8
121.10136	13.3
129.50690	3.4
131.08557	6.7
135.11707	24.1
136.28574	3.0
145.10097	16.8
147.11600	3.5
163.11147	23.7
181.12250	5.7
227.12775	59.9
244.41298	3.2
247.91335	4.0
261.22125	4.7
274.78955	3.6
283.15408	37.1
307.43454	3.5
335.25739	100.0
336.26279	5.3
388.10226	3.6
528.37476	7.1
543.36749	47.1
579.38617	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.9
57.03426	9.9
59.04978	3.1
67.05492	39.5
69.07048	11.7
69.35229	16.7
71.04976	3.5
76.96910	3.3
79.05486	42.4
81.07046	47.7
83.04917	3.5
83.08595	11.9
87.04459	7.6
89.06020	5.3
91.05453	18.9
93.07039	59.8
95.04940	10.1
95.08595	49.4
97.02891	4.7
98.22683	5.9
99.04436	4.4
103.05425	3.7
105.07011	53.1
107.04937	7.6
107.08566	31.1
109.10130	13.5
113.76278	2.9
117.07003	9.7
119.08574	14.8
121.06489	7.1
121.10137	23.0
123.11684	5.4
130.07826	3.6
131.08534	4.8
132.79491	3.0
133.10117	5.2
135.11682	50.8
145.10088	32.3
163.11156	71.3
163.12460	6.7
181.12193	12.2
183.11499	2.9
227.10637	5.8
227.12766	96.7
260.81799	3.2
261.22174	7.1
283.15381	73.2
335.25754	100.0
543.36713	53.6
544.36591	5.4
579.38434	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	579.1346
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03954	0.2
68.99761	0.3
69.03424	0.9
73.02897	0.2
77.52638	0.2
80.99574	0.2
81.03415	0.8
85.02896	1.0
87.00845	0.4
87.73372	0.2
91.05525	0.3
97.02892	0.5
99.04427	0.3
103.05443	1.0
107.04982	0.3
109.02848	0.4
127.03918	0.8
131.04922	2.3
134.03624	0.5
135.04480	0.3
136.01585	0.2
137.02336	0.5
139.00360	0.2
152.01050	0.4
153.01849	0.6
154.02621	0.4
159.02927	0.2
165.01897	0.4
170.02032	0.3
181.01273	0.6
182.02107	0.4
185.00737	0.3
186.06889	0.2
188.97977	0.6
197.04428	1.7
198.01607	0.3
204.02928	0.7
229.30023	0.3
242.05731	0.7
255.06581	0.4
258.05228	0.2
269.04434	0.3
270.05231	17.1
271.05707	0.9
273.03995	0.6
279.06531	0.3
285.04105	0.3
286.04776	0.7
287.05490	4.7
291.06390	0.3
293.04190	1.4
294.04828	0.2
298.04724	17.8
299.05322	1.6
301.03403	0.7
308.09229	0.5
309.03879	1.7
315.04965	5.0
316.05756	9.5
321.07333	0.3
331.08109	100.0
332.08414	3.8
363.08298	0.3
441.11612	0.3
464.21240	0.3
493.13434	2.2
561.12280	0.4
579.13434	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	579.1343
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
51.19415	0.2
53.03924	0.4
55.01854	0.4
57.03417	0.4
58.35267	0.2
65.03921	0.7
65.99730	0.2
68.99786	0.3
69.03423	1.6
69.87286	0.5
71.04977	0.3
71.78372	0.2
77.75874	0.2
81.03419	1.9
85.02906	2.4
87.00815	0.6
95.04965	0.4
97.02881	0.8
98.23462	0.3
99.04449	0.2
105.01867	0.4
105.02721	0.2
105.03368	1.4
107.04951	0.9
108.02101	0.5
109.02865	1.1
111.04436	0.6
121.02856	18.3
121.03937	0.7
123.04410	0.4
124.01548	0.4
127.03937	1.6
129.03368	0.3
134.03635	1.2
135.04405	0.9
136.01546	0.8
137.02307	0.6
145.04993	0.5
147.04480	0.4
149.51715	0.3
151.03896	4.5
151.05013	0.5
152.01103	0.6
153.01802	1.2
154.02582	1.0
159.02864	0.5
161.02319	0.4
163.03979	0.3
165.01846	0.3
167.06976	1.8
170.02026	0.3
171.75682	0.3
173.02243	0.3
173.05963	0.3
175.84096	0.3
178.02553	0.6
181.01320	0.9
181.04921	0.6
182.02084	1.2
185.06143	0.2
189.01805	0.4
191.03305	0.8
195.02757	0.3
197.04430	5.7
198.01657	0.3
200.03091	0.3
207.02861	0.3
213.05481	0.3
214.06163	0.3
219.03026	0.3
241.04832	0.4
242.05708	0.8
251.07043	0.4
252.04245	0.4
252.07744	0.3
253.05045	0.3
263.07059	0.3
265.08594	0.8
267.06500	2.4
268.07297	0.3
269.04456	2.2
270.05219	10.6
271.05795	0.5
273.03900	0.5
275.07172	0.4
278.05801	2.1
279.06461	3.3
280.07071	0.4
281.07971	0.5
283.08075	1.0
285.03851	1.1
286.04605	0.4
287.05466	6.9
291.06448	2.2
292.07266	0.8
293.04785	0.3
293.07916	1.6
297.03906	1.1
297.07553	2.5
298.04688	6.6
299.05261	1.5
303.06522	1.3
305.08069	1.2
307.09479	0.6
309.07553	3.5
315.04953	5.9
316.05728	9.8
321.07550	9.4
321.11298	0.6
331.08078	100.0
332.08423	3.3
333.07669	1.4
335.09070	0.7
339.08585	2.1
345.07465	0.5
351.08551	0.8
360.88248	0.3
363.08557	2.3
373.10611	0.3
375.08411	1.2
381.09500	0.6
387.08136	0.4
387.14456	0.3
388.75430	0.3
393.09583	1.5
399.10614	0.8
405.09573	0.4
411.10513	0.8
423.10684	1.0
424.53363	0.3
441.11819	1.8
459.10727	2.6
488.48053	0.3
525.14368	0.4
543.14551	0.4
579.20746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1342
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
54.17111	0.1
55.01851	0.2
55.84452	0.1
56.04532	0.1
57.03418	0.2
67.05470	0.4
69.03432	0.7
69.07063	0.1
70.06561	0.2
71.01341	0.2
71.04920	0.2
71.43274	0.1
74.00655	0.1
75.80546	0.1
79.05468	0.3
81.03380	0.6
81.07027	0.3
83.04942	0.3
84.04493	1.3
85.02861	0.5
87.00819	0.2
88.02186	0.5
88.02706	0.1
88.03986	0.7
91.05457	0.5
93.07005	0.4
94.06594	0.2
95.04940	0.3
95.08574	0.2
97.02848	0.5
105.01840	0.1
105.07031	0.3
107.04911	0.2
107.08583	0.2
110.06013	0.2
111.04442	0.2
114.80788	0.1
115.02142	0.2
115.05415	0.2
116.01642	0.2
117.06982	0.3
118.04113	0.5
119.04150	0.2
119.04928	2.4
119.08553	0.6
121.02862	1.5
125.07124	0.2
127.03905	0.4
129.06953	0.4
130.04924	0.5
131.04909	0.2
131.08502	0.5
133.06430	0.2
133.10071	0.2
134.02646	0.2
135.08046	0.2
141.06938	0.3
142.07738	0.3
143.08528	0.5
145.06474	0.3
145.10077	0.5
146.37317	0.2
147.04362	0.4
147.07990	0.2
151.03914	0.2
154.04953	0.3
154.99745	0.9
155.06085	0.2
155.08510	0.2
156.09328	0.3
157.10100	0.8
158.02621	0.2
158.07230	0.2
159.07970	0.3
159.11697	0.3
161.05969	0.3
161.09520	0.2
163.03912	0.2
163.07596	0.3
167.06987	0.7
167.08360	0.2
169.10098	0.3
171.02870	0.1
171.07674	0.8
171.11678	0.8
173.05884	0.2
173.09578	0.2
175.07578	0.1
179.08479	0.2
180.00542	0.3
181.04956	0.6
181.10072	0.2
182.99232	2.5
183.00819	0.2
183.11697	0.2
185.05849	0.2
185.09595	0.4
185.13234	0.2
186.06770	0.2
187.11171	0.5
189.09076	0.6
191.06902	0.2
192.06487	0.2
192.09268	0.2
193.10133	0.2
197.06114	0.2
197.09531	0.2
198.01535	0.9
199.05717	0.2
199.11209	0.2
201.00270	2.9
201.09212	0.2
203.10634	1.9
205.08549	0.3
213.03647	0.7
213.05649	0.7
214.06224	2.4
215.10597	1.0
217.08231	1.0
221.11594	1.3
229.12282	0.3
237.12724	0.2
241.04924	0.2
242.05688	0.6
255.13779	0.3
267.13892	0.1
269.04495	0.3
270.05191	1.2
273.03903	3.9
273.14822	0.6
285.15268	0.1
285.18475	0.6
286.04810	0.2
295.16837	0.2
298.04694	14.1
299.05020	0.3
301.03391	53.3
302.03726	1.4
313.17966	0.9
316.05746	16.9
317.06152	0.4
329.17554	0.2
331.08078	100.0
331.18658	2.6
332.08405	3.3
386.17862	0.2
414.17386	0.3
432.18390	1.3
450.19525	0.5
504.79648	0.2
525.20917	0.2
543.21582	0.6
561.22650	2.9
579.22559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.3
56.05002	0.3
62.61195	0.2
64.34405	0.2
65.03915	0.2
67.05484	0.5
69.03385	0.9
69.85929	0.5
69.86277	0.4
74.00631	0.3
79.05454	0.4
81.03386	0.7
81.07005	0.3
83.04932	0.2
84.04506	1.5
85.02864	0.7
88.02157	0.6
88.03957	0.8
91.05438	0.8
93.06995	0.4
95.08562	0.3
97.02896	0.4
98.23319	0.3
105.06989	0.7
109.02850	0.3
116.01621	0.3
117.06965	0.4
118.04115	0.5
119.04935	2.0
119.08562	0.3
121.02861	1.6
123.31525	0.2
123.62335	0.2
127.02178	0.2
127.03883	0.3
129.06929	0.3
130.04935	0.8
131.08594	0.5
133.10106	0.4
137.05971	0.6
141.06915	0.3
141.89021	0.2
142.07730	0.3
143.08507	0.5
145.06482	0.4
145.10089	0.6
153.06917	0.3
154.04950	0.4
154.99713	1.4
155.08479	0.3
157.10092	0.8
159.08018	0.3
159.11655	0.3
161.05890	0.3
163.07542	0.4
167.07034	0.3
169.10057	0.2
171.07690	0.9
171.11612	0.3
173.09573	0.4
177.09029	0.3
181.05013	0.4
182.99240	2.8
183.11667	0.4
185.09573	0.5
186.01578	0.3
187.11099	0.3
189.09154	0.5
198.01601	1.0
201.00308	2.9
203.10638	1.7
205.08595	0.4
213.03873	0.7
213.05550	0.5
214.06253	2.6
215.10716	0.8
217.08162	1.0
221.11697	1.1
229.12129	0.3
230.11159	0.2
241.04869	0.4
242.05757	0.5
243.18414	0.3
270.05124	1.8
273.03928	4.8
273.14996	0.7
285.18491	0.7
286.04602	0.3
298.04724	14.9
299.05157	0.6
301.03418	58.2
302.03790	1.1
313.06760	0.3
313.17932	0.7
316.05768	18.2
317.06158	0.5
331.08112	100.0
332.08481	2.9
347.69336	0.2
367.28430	0.2
414.17493	0.5
432.18442	1.0
441.56137	0.3
450.19699	0.6
543.21722	0.7
561.22668	2.9
579.21436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74108	1.2
57.03421	4.1
61.02924	2.6
68.99801	1.9
69.03421	2.4
69.28403	7.9
70.06576	5.0
72.08146	3.2
73.43054	1.3
81.03420	3.3
84.04490	2.0
84.08121	2.3
85.02916	7.5
86.09689	4.0
87.04456	2.9
87.17196	1.4
88.03987	1.7
89.06042	1.7
91.05462	1.8
95.04946	4.4
96.65984	1.3
97.02857	3.3
97.06525	1.9
103.03916	3.6
103.05452	1.9
103.63143	1.5
105.03380	26.1
105.07020	2.6
107.04948	2.0
109.02871	3.2
113.05998	1.7
117.07082	1.5
119.08555	1.9
120.08080	3.0
120.31400	1.6
121.02834	3.9
129.03354	3.5
129.10216	1.9
130.04985	1.9
135.04443	2.1
139.07489	1.3
147.04396	3.6
161.02277	1.8
163.03987	2.4
167.06987	11.3
171.04324	1.7
173.02307	1.6
173.05959	3.4
175.03931	1.8
177.01845	1.7
179.03448	2.5
181.04947	5.0
183.04439	1.4
189.01805	8.2
191.03406	4.2
195.02913	7.3
201.01793	1.8
201.05374	1.9
203.03362	9.0
205.04956	2.4
207.02887	5.2
215.03455	2.6
217.04924	4.1
219.02873	2.7
221.04344	2.8
229.04868	4.5
239.03459	2.2
243.02895	2.2
251.06917	2.6
252.07704	7.0
255.02856	3.0
257.04395	3.3
263.06967	4.1
264.07718	2.5
265.08548	5.6
267.06476	6.2
268.07800	1.7
273.03912	5.2
275.07043	2.6
277.08493	4.4
278.05740	23.4
279.06497	82.2
279.09595	3.3
280.07141	9.4
281.08066	8.4
285.03894	1.7
289.08450	3.3
291.06482	56.7
291.09799	2.7
292.07266	16.7
293.07996	16.6
297.07465	5.1
301.03256	2.7
301.08496	2.2
302.09525	2.0
303.06186	9.2
303.09824	3.0
304.07269	6.6
305.08035	34.8
306.08820	12.7
307.06085	2.3
307.09515	4.8
309.07532	100.0
310.07751	2.1
313.08289	1.8
317.08011	9.8
319.06061	3.1
319.09592	14.2
320.06689	2.8
320.10068	1.8
321.07507	62.3
321.11224	3.1
323.09158	2.7
329.08014	4.1
330.08853	1.6
331.09549	14.9
333.07529	33.1
334.08038	3.0
335.05426	1.8
335.09109	22.3
337.06924	1.7
339.08664	24.5
341.08105	3.4
345.07529	18.2
345.11215	3.4
346.08142	2.6
347.09045	6.2
349.07199	1.6
349.10809	11.4
351.08566	5.8
357.07434	6.7
358.08224	1.6
359.09091	11.8
361.07135	1.9
363.08578	57.1
369.07861	3.1
371.09039	2.2
373.10785	4.2
375.04538	1.4
375.08585	31.7
376.09067	1.8
377.10092	1.7
381.09787	1.9
385.12097	4.5
387.08582	23.3
387.13519	2.6
393.09641	47.5
394.10074	1.9
397.10410	2.3
399.11105	9.8
401.10107	2.9
405.09653	24.9
411.10721	43.0
417.11115	6.2
417.16226	2.4
423.10699	26.7
429.10181	5.5
432.18002	2.6
441.11786	78.3
442.12357	3.1
447.10718	7.0
459.12897	16.4
465.11804	27.5
471.10657	3.0
477.11850	2.9
483.12717	14.4
489.11835	6.9
495.12793	18.5
496.13434	1.8
507.12921	21.8
513.13812	6.4
525.13855	26.2
543.14697	14.5
543.21881	2.1
561.15448	4.1
561.22559	3.8
579.21082	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	579.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04102	1.9
57.03432	3.0
58.57123	2.0
64.71160	2.2
69.68060	7.4
78.24194	2.2
85.02895	7.7
95.04919	2.3
103.05492	3.1
105.03394	24.8
109.02914	2.0
159.04469	2.2
189.01840	8.6
191.03421	5.0
195.02873	4.8
203.01735	2.3
203.03409	9.3
207.02910	6.6
215.03444	2.5
217.04900	4.0
229.05093	2.7
251.06960	3.2
252.07799	5.7
255.02748	2.8
255.06415	4.5
263.06979	5.3
265.08542	5.6
266.05710	2.1
267.03098	2.0
267.06491	7.9
275.07236	3.4
276.07620	2.3
277.08572	4.3
278.05792	27.5
279.06509	87.3
280.07233	9.4
281.08081	11.1
289.08478	3.2
291.06500	56.4
292.07227	21.1
293.07898	12.5
297.07657	5.7
303.06625	11.5
304.07159	4.2
305.04800	3.6
305.08005	30.1
306.08832	14.0
307.05948	4.4
307.09482	3.7
309.07550	100.0
310.08005	2.5
313.08569	2.6
317.08099	8.1
318.08804	3.4
319.09579	19.5
320.06488	2.8
321.07538	68.5
321.11288	4.1
329.08057	3.3
331.09570	18.4
333.07520	34.7
335.09003	21.2
339.08643	17.7
341.07932	4.2
345.07526	20.9
345.11258	4.6
347.09122	7.4
349.10663	9.8
351.08521	5.4
357.07462	7.2
358.08649	3.1
359.05249	2.7
359.09222	12.3
363.08609	64.8
369.07620	5.5
371.09143	2.3
373.10785	5.1
375.08591	30.1
375.56631	2.3
385.10724	2.8
387.08517	29.5
393.09668	46.8
393.14523	1.8
399.08896	4.0
401.10019	3.5
405.09637	28.9
411.10727	41.8
417.09668	5.2
423.10742	29.3
429.10190	7.4
441.11810	74.6
447.10593	8.2
453.09415	2.8
459.12909	10.5
465.11801	30.4
471.10489	6.2
477.11996	3.2
483.12549	9.2
489.11502	4.6
495.12869	19.2
507.12863	22.2
513.13708	5.8
525.13947	22.2
543.14905	11.2
561.15784	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	579.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03428	0.8
61.02916	0.8
62.63560	0.5
68.99786	0.9
69.03416	1.8
69.04764	1.8
69.05177	2.8
70.06589	0.8
78.02919	0.5
81.03407	2.2
82.90025	0.5
85.02894	6.3
90.19063	0.6
95.04924	0.7
97.02876	2.7
100.73328	0.6
103.03931	1.0
103.05413	0.8
105.03385	5.4
109.02851	1.6
127.03917	1.6
129.03326	2.0
131.04874	0.9
137.72874	0.6
141.01782	1.4
147.04362	1.7
149.02350	1.9
163.03879	1.2
165.01823	7.5
165.28386	0.6
167.03360	3.3
167.06966	0.9
175.11800	1.4
177.01837	1.2
181.04877	1.0
183.02818	3.1
189.01724	1.4
191.03423	1.2
195.02866	1.8
197.99440	0.6
203.03345	1.4
207.06438	0.8
213.05449	0.9
223.07449	1.4
226.06058	0.7
243.02858	0.8
251.07034	10.4
254.05685	2.8
255.06451	6.4
263.07080	2.1
265.08612	10.0
267.06506	100.0
268.07220	10.2
269.07999	1.0
277.08646	0.8
278.05701	2.1
279.06525	18.4
279.10052	2.2
280.07034	1.9
281.04663	0.9
281.08066	2.4
289.08499	2.5
291.06506	7.3
292.07269	2.7
293.04559	2.4
293.08026	25.5
294.08469	1.0
295.06213	0.8
297.07550	75.8
298.07983	2.9
303.06723	0.6
304.07233	0.7
305.08185	4.0
306.08743	1.2
307.06058	0.7
307.09579	13.7
309.07492	8.1
310.07489	0.6
317.07947	3.8
319.05981	0.9
319.09537	1.6
321.07541	42.3
322.07724	1.4
331.08395	1.4
333.07516	12.4
334.07996	0.9
335.09171	3.7
335.15314	0.7
339.08868	0.8
345.07544	12.7
347.08792	0.7
351.08612	28.0
352.08963	1.2
357.08173	0.7
363.08594	22.9
364.08948	0.7
375.08557	1.6
381.05905	0.5
381.09647	19.2
387.08466	2.2
393.09595	2.7
399.10730	25.4
400.10977	0.9
405.09467	1.8
411.10599	2.5
417.11890	6.2
423.10577	2.2
429.09814	0.8
441.11612	4.8
459.12607	1.1
465.11807	1.9
483.12610	1.5
495.12875	2.1
507.12878	2.1
513.13647	0.9
525.13440	2.0
543.14612	1.1
543.22980	0.7
561.15790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
57.03431	3.0
61.02946	2.6
68.99793	5.8
69.03436	1.7
70.68401	2.9
77.03927	2.4
81.03426	4.7
85.02899	11.7
86.87502	1.5
93.03416	1.9
95.04971	9.4
97.02883	3.7
98.22772	1.9
103.03972	1.7
103.05466	3.8
105.03390	58.2
105.04499	3.7
105.07029	1.7
107.04956	5.7
109.02895	6.1
112.33910	1.5
118.78226	1.6
121.02869	5.0
121.06519	2.5
123.04401	2.8
129.03366	3.7
129.06953	1.7
129.09567	1.6
131.04900	1.9
133.06523	2.5
134.54897	2.0
135.04419	4.1
139.03873	2.9
145.06502	2.8
147.04404	10.0
149.02304	2.2
151.03860	4.0
159.04373	4.0
161.06017	2.3
163.03857	3.9
165.01851	3.4
171.04497	2.1
173.02335	2.4
173.05981	2.8
175.03946	4.5
177.01872	8.2
177.05515	4.8
179.03387	5.6
181.04918	2.3
187.03926	5.7
189.01770	8.3
189.05461	2.6
191.03340	10.0
195.02879	12.5
201.01770	2.5
201.05505	5.6
203.03421	8.2
205.05013	7.5
207.02878	11.0
213.05472	4.4
215.03433	5.1
217.04930	9.5
219.02930	7.9
225.03783	2.1
227.03351	2.2
229.04945	11.0
231.02879	9.4
231.06361	2.5
233.04468	3.6
241.04915	2.8
243.02878	8.5
243.06549	3.0
245.04492	3.2
247.06091	3.9
249.03938	3.9
251.07048	5.3
252.07858	7.3
255.02782	3.6
257.04471	3.0
259.06235	2.9
261.03983	9.9
263.06964	6.0
264.07745	1.8
265.08511	5.4
267.06580	7.8
268.07138	2.4
271.06039	3.1
273.03928	6.7
277.08612	5.2
278.05692	26.1
279.06500	89.1
280.07281	10.5
281.08069	8.9
285.04001	11.4
291.06570	54.7
292.07193	21.2
293.04865	2.9
293.08047	14.6
297.04312	1.9
297.07581	7.4
301.08295	2.3
303.06354	10.2
304.07263	4.2
305.08072	32.8
306.08810	10.8
307.06079	3.5
307.09702	5.5
309.07535	100.0
310.07971	3.3
315.05026	2.7
317.08035	9.9
319.09576	13.0
320.06619	2.0
321.07593	64.3
321.11343	4.0
322.07892	2.7
323.05600	1.8
323.09180	2.2
327.04971	8.3
329.07956	2.9
331.09659	11.7
333.07562	36.6
335.09103	24.0
339.08627	28.1
341.08096	2.5
345.07553	21.4
347.09164	6.3
349.10791	9.7
351.08688	8.0
357.07526	7.8
358.08255	2.7
359.09061	11.8
361.06900	2.4
363.08597	62.5
364.08859	2.0
371.09012	2.4
373.10861	4.1
375.08572	37.6
387.08649	23.4
393.09674	48.1
394.10098	1.9
399.09067	2.5
401.10147	2.8
405.09595	26.1
411.10718	38.8
417.09497	9.3
423.10693	31.6
429.09805	9.7
441.11755	87.7
442.11829	2.1
447.10587	9.2
459.12869	17.3
465.11816	36.4
471.10764	3.6
477.11685	8.7
483.12650	10.4
489.11685	10.7
495.12762	24.0
507.12851	26.0
513.13940	5.0
525.13849	26.9
543.14923	15.3
561.16028	4.1
579.16797	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	579.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01855	0.6
55.05482	0.4
55.10416	0.3
57.03431	0.3
65.03920	1.3
67.05479	0.8
69.03432	1.7
70.06566	1.4
70.70571	0.4
70.70914	0.6
72.08138	1.7
72.32046	0.3
73.23550	0.3
78.04711	2.0
79.05475	1.0
81.03396	0.6
81.07048	0.5
82.04184	0.7
84.04485	0.6
84.08157	0.8
85.02892	2.6
86.09685	1.2
91.05455	1.2
95.04945	1.3
95.24806	0.3
97.02878	1.1
97.06525	0.8
103.05448	0.5
106.04160	1.2
107.04939	1.1
110.07161	0.6
115.05448	2.9
117.07007	5.6
119.08580	0.5
120.08092	1.0
121.02844	0.4
122.03643	0.4
123.04427	5.8
124.05206	1.9
127.05399	0.6
129.06908	0.4
129.10265	0.9
134.03622	0.6
135.04443	0.5
137.05922	0.6
138.03059	0.5
139.00262	0.6
143.04933	0.4
145.06476	9.9
147.04373	0.6
147.08025	0.5
151.03879	1.5
152.04686	1.4
153.05432	1.0
155.06012	4.4
167.07028	100.0
168.07391	1.8
171.06528	1.5
173.05968	18.8
175.07484	0.4
181.04944	21.9
201.05534	0.6
205.08583	3.9
233.08028	6.2
235.09619	4.3
273.03943	4.4
273.14874	0.4
285.03900	0.4
287.05142	0.5
301.03427	3.5
302.04156	0.8
303.04962	2.3
384.03583	0.4
384.11661	0.8
385.11942	1.4
387.14346	17.4
388.14801	0.6
399.10727	9.9
400.10748	0.5
417.15826	10.9
417.23666	0.5
428.80215	0.4
432.18173	0.6
498.57776	0.4
541.95355	0.4
561.22852	0.8
579.20673	43.3
580.21039	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	579.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01863	2.3
55.05503	3.2
56.05030	4.7
57.03430	1.4
58.99577	1.8
60.04514	1.2
61.01136	1.5
62.32463	0.5
65.03934	1.1
65.53598	0.5
67.05499	6.6
68.05022	2.1
69.03422	11.1
69.07055	1.1
70.02944	2.3
71.01354	0.8
71.04984	0.8
71.43396	0.5
72.12908	0.5
73.01122	0.9
74.00667	3.9
76.02225	0.5
79.05494	4.8
80.05001	3.6
81.03417	8.6
81.07051	4.4
81.94529	0.5
82.06587	3.0
83.04972	5.0
83.06103	1.5
84.04497	39.0
85.01114	1.6
85.02897	2.1
86.00645	1.3
86.06046	1.8
86.99044	0.8
87.02679	1.1
88.02209	16.1
88.03983	27.9
89.00624	2.6
91.05470	7.3
93.07035	5.3
93.78424	0.5
94.06561	1.7
95.04964	4.5
95.08591	2.7
96.04465	1.5
97.01104	0.7
97.02882	0.8
97.06518	1.3
98.06049	1.1
98.22595	0.9
99.04463	0.9
100.02187	3.7
101.00603	1.9
102.05540	1.3
103.03878	0.7
103.05460	1.1
105.00085	0.8
105.07021	10.2
106.06566	1.6
107.04949	2.7
107.08592	5.5
108.04430	2.7
108.08112	1.8
109.02866	0.9
109.06502	3.2
109.10126	0.9
110.06003	2.8
111.02644	0.5
111.04426	1.2
112.02179	4.7
112.03960	0.7
112.07574	2.8
113.00600	1.2
113.05998	2.6
114.03744	3.4
114.05562	0.8
115.02139	5.1
115.05456	1.6
116.01672	10.9
116.03433	1.8
116.06284	0.5
117.00083	2.1
117.07006	5.8
119.04942	1.0
119.08555	10.5
120.08109	1.4
121.06475	3.4
121.10146	2.4
122.02699	0.6
123.04436	0.8
123.08035	1.3
125.07102	6.0
126.03735	1.8
126.05496	2.9
127.02103	1.1
128.06227	3.1
128.07085	0.9
129.07048	5.1
130.03264	1.7
130.04990	18.7
130.07764	1.3
131.04936	1.9
131.08560	7.6
132.01172	2.2
132.04726	0.7
132.08087	0.6
133.06490	3.7
133.07368	0.5
133.10123	7.3
134.02708	2.1
134.06018	1.3
135.08075	2.0
136.07558	0.9
137.05977	1.1
138.03763	1.2
140.01662	1.1
140.05249	1.3
141.03676	0.9
141.06967	3.3
142.03253	2.0
142.07774	4.5
143.01628	0.9
143.08554	8.6
144.09354	1.7
145.06470	4.2
145.10110	11.4
146.02686	3.3
146.07245	0.7
147.08049	5.6
147.11678	1.8
147.55313	0.6
148.07556	0.8
149.09613	1.2
150.03690	0.7
153.06932	2.0
154.03224	1.6
154.04971	6.4
154.07748	1.3
155.08540	6.8
156.04694	0.6
156.06535	3.8
156.09305	2.5
157.06508	1.1
157.10112	11.4
158.02704	4.6
158.07335	1.4
159.08064	4.3
159.11662	7.4
160.04285	4.4
160.08794	0.8
161.02663	0.8
161.09613	5.2
161.13260	1.5
162.02187	4.5
163.02129	0.9
163.11154	3.5
164.07111	0.9
165.06996	3.2
166.07809	1.3
167.08508	4.3
168.09198	3.2
169.06313	0.6
169.10123	6.9
170.07321	0.8
171.07640	20.8
171.11646	5.2
172.04337	1.8
172.06052	1.4
172.08838	0.9
173.04379	0.5
173.09601	8.3
173.13232	2.6
175.05811	0.7
175.07614	0.8
175.11113	2.7
177.09181	0.7
178.07787	1.2
179.08521	4.7
180.06555	1.3
180.09372	2.3
181.06549	0.7
181.10127	7.0
182.10936	1.7
183.08105	1.8
183.11690	9.2
184.04251	1.1
185.09598	3.5
185.13264	1.8
186.02216	1.9
186.05853	1.9
187.04210	1.8
187.05759	1.0
187.07445	0.9
187.11160	9.3
188.03767	1.8
188.12068	0.8
189.02225	0.6
189.07307	0.7
189.12755	0.9
191.05418	0.7
191.08632	1.0
192.04922	1.0
192.06512	3.7
192.09331	2.9
193.10118	5.1
194.08124	1.4
194.10936	2.4
195.07997	1.1
195.11742	4.0
196.04272	0.7
196.08777	1.0
196.12558	0.8
197.09612	2.2
197.13289	2.8
199.07294	1.2
199.11140	3.0
199.14830	1.0
200.03854	1.1
200.05568	3.1
201.12779	2.9
203.08717	1.2
203.10701	0.6
203.14366	0.9
205.10245	1.7
206.08121	1.8
206.10905	0.8
207.08171	0.6
207.11700	3.9
208.12560	0.6
209.09634	1.6
209.13252	4.9
210.10498	0.7
211.11160	5.0
213.07288	1.0
213.12759	1.7
215.08795	1.0
215.10706	0.7
217.08189	26.3
217.09856	1.3
219.08218	0.6
219.11700	1.5
220.09647	1.5
221.09570	1.1
221.13242	1.8
223.11221	1.4
223.14859	1.1
224.09187	0.8
225.12790	3.3
227.14256	2.5
229.12190	2.6
231.04454	1.4
231.08315	0.8
231.11732	1.3
233.09828	1.1
233.13281	1.1
234.10353	0.6
235.11203	1.2
235.14842	0.8
236.14363	1.1
237.12732	3.7
239.14427	0.6
243.13872	0.8
245.15462	0.8
249.12674	1.3
251.14348	0.8
254.15411	1.2
255.13797	8.1
257.09927	0.6
265.15857	0.7
269.15326	0.9
272.16467	0.7
273.14844	21.1
274.15665	0.7
275.14203	0.8
283.17007	0.7
291.06418	1.0
293.15399	2.2
304.13715	0.9
310.18021	0.7
311.16412	1.4
313.17850	0.6
316.08621	1.0
325.12540	1.0
343.13385	1.3
344.16754	0.6
346.14758	1.5
348.16254	0.9
361.14676	1.0
366.17105	1.7
368.16751	2.1
384.17535	0.9
386.17761	3.4
396.16373	2.2
399.16028	0.9
404.18903	1.3
414.17337	9.8
427.15283	2.7
432.18378	43.1
433.18335	1.9
450.19516	13.5
464.17502	0.8
471.23178	1.3
479.19797	1.1
497.21301	1.9
499.22580	1.8
507.19812	0.8
515.22363	3.0
516.20612	0.7
517.23486	5.3
525.20453	7.5
526.20947	0.7
543.21558	32.8
544.21509	2.0
561.22614	100.0
562.22809	6.4
579.23828	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	579.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63993	0.6
53.03950	2.3
55.01868	2.9
55.05513	2.7
56.05037	4.8
57.03458	0.9
58.53605	0.7
58.99581	2.4
60.04534	1.4
61.00332	0.7
61.01146	2.3
64.69682	0.7
65.03934	1.0
67.05503	8.6
68.05035	2.8
69.03428	13.1
69.07060	1.2
69.42421	3.2
70.02948	2.4
71.04982	1.2
73.01145	0.8
74.00666	5.0
79.05486	7.3
80.05028	3.3
81.03419	9.0
81.07054	4.5
82.06601	3.4
83.04982	6.3
83.06076	1.0
84.04501	41.1
85.01128	1.7
85.02917	3.7
86.00665	1.7
86.06063	1.9
86.99041	0.7
87.00864	0.7
87.02691	2.5
87.04483	2.1
88.02217	16.3
88.02724	1.3
88.03989	26.1
89.00622	3.3
89.06049	1.1
91.05476	8.8
93.07031	6.5
94.06571	1.9
95.04966	7.5
95.08620	4.4
96.04491	1.2
97.01109	1.6
97.02863	1.7
97.06541	1.5
98.00603	0.8
98.06065	1.7
98.22705	1.3
98.99069	0.9
99.04434	1.4
100.02199	4.2
101.00607	2.1
102.05548	1.6
103.05466	1.9
103.84256	0.7
104.98588	0.6
105.00113	0.7
105.07023	11.5
106.06543	1.4
107.04951	2.6
107.06104	0.8
107.08588	7.5
108.04472	2.7
108.08139	1.6
109.02869	1.8
109.06513	3.6
110.06049	3.6
111.04450	2.8
111.08092	0.7
112.02171	5.2
112.07619	2.3
113.00612	1.6
113.06019	3.1
114.03747	3.9
114.05506	1.6
115.02143	7.1
115.05473	2.7
116.01663	11.4
116.03483	2.6
116.06255	0.8
117.00096	2.3
117.07020	6.6
118.06552	0.7
119.04959	1.4
119.08571	13.3
120.01103	0.8
120.08122	1.0
120.08940	0.8
121.06506	2.7
121.10106	4.6
122.05986	0.8
123.04435	0.8
123.08105	1.5
125.06233	1.0
125.07130	8.1
126.03743	1.8
126.05529	2.8
127.02179	1.1
127.03928	1.7
128.06218	2.8
128.07082	1.1
129.07021	6.8
130.03279	1.6
130.04993	21.8
130.07797	2.1
131.04941	1.5
131.08571	7.8
132.01173	2.7
133.06500	3.3
133.10129	6.7
134.02730	3.1
134.06018	1.2
135.08044	2.4
135.11728	1.6
136.03947	1.2
136.06137	0.8
136.07588	1.1
137.05920	1.0
138.03716	1.1
140.01686	1.6
140.05270	1.4
141.03699	1.7
141.06946	3.2
142.03215	1.5
142.05070	0.7
142.07776	6.7
143.08562	10.9
144.09337	2.1
145.06494	5.4
145.10120	13.1
146.02711	3.5
147.08054	5.7
147.11632	1.1
148.07564	1.4
149.09630	1.5
151.07561	1.1
153.05528	1.3
153.06924	2.8
154.03247	2.3
154.04997	6.4
154.07794	1.5
155.08549	7.4
156.06572	3.6
156.09360	3.0
157.06538	1.5
157.10118	15.3
158.02696	5.4
158.07326	2.1
159.08072	7.4
159.11682	8.7
160.04263	4.1
160.08835	0.9
161.02734	1.1
161.09642	7.0
161.13316	1.5
162.02208	5.6
163.07541	7.5
163.11188	4.0
164.07106	1.1
165.07063	2.8
166.07791	2.3
167.08522	5.5
168.09297	4.5
169.06302	1.3
169.10117	9.1
170.10889	1.0
171.07655	24.5
171.11684	5.0
172.04288	1.9
172.06023	1.3
172.08871	0.9
173.09612	9.4
173.13303	2.2
174.10367	1.2
175.07520	1.7
175.11208	3.1
177.09119	1.7
179.08508	4.5
180.06580	2.2
180.09285	1.7
181.06537	1.5
181.08679	1.1
181.10092	8.2
182.10855	1.2
183.08112	1.6
183.11676	10.4
185.09584	4.6
185.13289	2.7
186.02115	1.7
186.05870	2.6
187.04254	2.3
187.11163	11.1
188.03777	1.3
188.11859	1.0
189.02266	0.8
189.07268	0.8
189.09019	0.8
189.12723	1.7
192.06606	3.7
192.09358	1.7
193.10138	4.5
194.08159	1.6
194.10953	2.6
195.08031	1.3
195.11630	4.0
196.08881	0.8
197.09602	2.5
197.13326	3.0
199.05594	1.0
199.07248	1.3
199.11159	3.7
199.14854	1.1
200.03827	1.7
200.05600	2.6
201.12813	2.8
203.10707	2.3
204.09265	1.2
205.10211	1.3
206.08119	2.1
206.10991	1.4
207.11691	4.5
209.09544	1.9
209.13179	5.2
210.10478	1.0
211.11177	5.9
211.14861	0.9
213.04021	1.0
213.12785	2.1
215.08815	1.6
215.10715	0.9
217.06105	1.3
217.08202	26.8
217.09889	1.3
219.11777	1.8
220.09744	1.4
221.06160	0.9
221.11731	2.3
222.07576	1.1
223.11224	1.5
225.12759	3.5
227.14348	2.8
229.12265	2.6
231.04538	1.7
233.09798	1.5
235.11136	1.0
236.14365	1.2
237.12784	5.2
244.06448	0.8
247.11273	0.9
249.12727	1.7
251.14380	1.6
253.15805	0.9
254.15524	1.4
255.13748	8.1
265.15906	1.0
271.13345	0.8
271.16943	0.8
273.14835	24.4
275.14249	1.6
278.22095	1.0
281.09879	0.7
285.18469	1.3
285.31946	0.8
290.07056	0.7
291.06421	1.1
293.15442	2.1
295.17068	0.9
303.19754	0.7
304.13675	1.2
311.16516	1.0
313.17783	0.7
316.08652	1.0
322.14600	1.2
331.19089	2.7
340.11139	0.7
342.15027	1.0
343.13782	2.0
346.14862	1.0
348.16092	1.6
362.17770	0.8
366.17023	1.9
368.16656	2.0
383.16705	1.0
384.17981	0.9
386.17923	5.3
387.16562	0.9
396.16559	2.0
399.15686	1.2
414.17261	10.3
415.15912	0.9
427.15399	3.6
432.18384	48.0
433.18701	1.4
450.19470	13.0
451.19962	1.0
471.22894	1.3
481.21436	1.1
489.69873	0.8
497.21286	2.0
499.22830	2.0
507.19595	2.2
515.22150	3.3
517.23596	6.5
525.20422	6.4
539.60999	0.9
543.21545	35.3
544.22156	0.9
561.22614	100.0
562.22687	7.5
579.23779	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	580.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35096	0.9
53.98222	0.8
57.43368	0.9
63.39445	0.9
65.82673	1.0
68.99786	11.3
69.03416	1.1
70.18720	0.9
81.03416	1.6
81.07066	1.0
85.02928	1.6
87.00829	1.1
91.05494	1.2
92.04995	1.8
97.02946	1.0
98.23512	1.8
103.05462	8.6
105.07053	2.2
106.48492	0.9
111.00833	2.6
111.22421	0.9
120.04472	1.8
121.05231	2.4
131.04927	14.2
132.05252	1.2
139.00240	1.7
145.04950	1.2
148.03969	2.1
151.03893	1.2
153.01816	1.6
162.01889	1.1
164.03429	1.3
165.01764	1.5
166.99731	1.3
169.01367	1.5
176.03427	9.4
180.02856	1.2
181.08784	0.9
185.00803	10.9
188.98001	1.5
194.04477	6.9
197.04390	1.0
198.04875	1.0
203.31628	1.1
204.02916	25.9
204.04715	1.5
205.03677	4.8
214.06053	1.1
219.08105	1.1
221.00815	5.1
223.04663	1.0
245.53993	0.8
260.52258	1.0
266.08194	3.4
270.05225	13.1
271.05609	22.2
273.07458	1.3
280.09689	1.9
281.00931	1.2
286.03952	1.0
287.05435	3.7
288.05887	5.5
292.05881	2.1
293.04202	5.2
294.04514	2.0
298.04730	13.4
299.01788	2.9
299.04999	18.1
300.05685	2.0
308.09195	14.2
309.03690	1.9
309.09940	3.9
310.04095	1.2
311.05267	2.2
315.05045	4.2
316.05627	10.7
317.06171	8.5
325.07108	1.8
331.08121	57.1
332.08447	100.0
333.08649	2.6
354.02435	3.3
403.08051	3.3
440.07596	1.0
441.06180	1.7
458.08908	2.0
459.06897	1.9
476.09576	1.4
494.13748	3.1
534.51337	1.1
545.11871	1.9
562.14099	1.7
580.13977	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	580.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
69.03418	2.0
69.71716	1.7
69.72035	3.6
79.05498	2.4
85.02892	8.3
91.05482	2.6
94.04195	2.0
95.04927	1.3
97.02900	3.1
103.05469	3.2
105.07014	16.8
106.04023	1.3
107.04987	1.5
109.06523	2.8
115.05444	4.7
122.03639	3.8
127.03887	2.5
131.04921	5.2
133.06479	13.5
137.05962	52.7
138.00800	1.2
141.06966	2.2
143.06021	2.1
145.04984	1.5
146.03638	5.3
147.04315	1.3
157.06430	2.0
161.05963	100.0
162.06433	2.6
167.06911	1.3
175.07506	2.1
178.07742	1.7
179.58992	1.2
184.05141	3.2
187.07542	3.2
191.08572	3.0
192.09291	1.4
199.07507	17.0
202.07796	6.7
203.08519	18.6
204.09222	1.6
205.06523	2.5
207.08116	3.5
209.09566	2.1
215.08662	2.0
219.08009	6.9
220.08774	9.2
221.06030	1.5
222.06726	1.6
225.09346	1.7
230.07326	2.0
231.08018	35.7
232.08768	8.6
233.06088	2.0
234.06834	3.4
235.07501	2.7
235.11273	1.9
236.08406	2.2
237.09041	2.9
247.07529	8.3
248.08304	19.7
249.09091	4.2
251.06909	1.9
258.06738	3.4
259.07529	31.6
260.08292	25.5
261.09073	2.9
262.09830	2.2
263.10629	17.0
264.07828	1.8
265.08582	5.9
275.06992	3.1
276.07794	15.9
277.08539	3.9
279.10159	4.0
281.11664	2.8
291.10107	94.9
292.10718	7.2
293.08029	2.7
299.04953	2.2
301.03412	4.4
301.68756	1.5
302.03769	6.1
308.10400	4.0
309.11160	56.6
310.11606	2.1
311.12750	1.9
316.05804	2.0
317.06097	4.3
323.12732	83.7
324.13095	2.1
331.08011	11.0
332.08423	19.9
341.13800	63.9
342.14050	2.6
354.47284	1.6
578.96735	1.5
580.23792	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	580.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.4
57.07066	5.5
67.05505	10.6
69.07053	3.2
71.04992	2.8
78.03451	24.3
79.05495	7.2
80.05013	7.2
81.07060	13.0
83.08610	1.9
85.06542	6.6
91.05474	10.5
93.07030	9.0
94.07309	1.5
95.08607	20.9
96.04486	9.4
99.04451	2.2
105.07019	20.6
105.07661	2.2
106.02914	64.2
107.08595	9.0
109.06476	1.2
109.10155	4.9
111.04450	6.0
113.92499	1.3
117.07013	2.2
118.07827	1.3
119.06030	1.5
119.08578	29.1
121.10155	6.6
123.11720	1.5
124.03950	100.0
125.04218	1.4
128.06128	1.5
129.07010	4.0
131.08578	8.4
133.10123	33.1
134.52448	1.4
135.11708	2.0
141.05464	43.1
141.07062	2.0
141.74889	1.3
142.07770	1.9
143.08540	5.0
145.10110	12.2
147.11678	12.1
155.08556	3.3
156.09381	2.9
157.10141	9.1
159.11690	11.1
161.13258	5.0
164.62067	1.3
169.10144	8.4
170.10912	2.0
171.11717	7.5
173.13225	9.0
179.10669	1.6
181.10098	2.0
182.10828	1.9
183.11700	7.7
185.13251	7.5
187.14824	4.5
189.16356	2.7
195.11708	3.5
196.12506	1.4
197.13234	10.3
199.11169	1.6
199.14886	6.5
201.16360	5.2
205.12181	2.8
209.13148	1.6
211.14813	4.9
213.16222	1.2
215.10609	1.7
217.12204	2.4
225.16353	2.7
229.12236	1.8
237.16313	2.8
239.17906	8.9
243.13742	3.2
253.19502	12.7
257.15344	1.8
259.66046	1.3
261.22244	1.8
262.22424	3.6
271.20493	2.1
281.19040	4.2
284.93259	1.5
299.20001	34.9
354.27237	1.3
422.23151	7.0
580.28876	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	580.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09214	5.9
53.03936	15.9
55.01860	13.6
55.05505	27.6
57.03436	45.4
60.04514	30.3
61.02927	12.7
67.05500	95.5
68.94030	6.4
69.03416	30.8
69.07057	72.3
69.46749	28.1
70.51323	5.8
71.05000	37.1
73.02898	18.4
79.05480	80.8
81.03429	44.0
81.07052	92.8
81.75240	6.0
83.04964	28.6
83.08606	16.2
85.02905	39.6
85.06524	9.1
86.99931	6.2
87.00827	13.8
87.04449	23.8
89.06030	16.3
91.05470	66.0
93.07025	78.0
95.04961	36.3
95.08593	42.8
97.02888	28.3
97.06515	100.0
97.10116	7.2
98.22657	11.1
98.81387	6.0
99.04435	10.5
99.08059	13.2
104.05340	6.8
105.01852	12.2
105.07018	55.8
107.04947	20.1
107.08578	50.2
109.02865	16.5
109.06503	25.6
109.10143	18.2
113.05984	7.2
115.07565	52.6
117.07010	37.1
119.08582	35.0
120.04486	7.2
120.08086	7.2
121.02821	10.6
121.06505	15.7
121.10111	22.2
127.03879	32.0
127.07520	6.4
129.06999	16.0
131.04993	7.8
131.07050	7.2
131.08539	41.0
132.10019	6.4
133.05112	6.0
133.06435	10.6
133.08638	8.1
133.10088	39.8
135.08041	23.9
135.11678	19.3
137.09581	8.6
141.06998	8.5
143.08562	18.5
145.04910	13.2
145.10118	27.1
147.08070	10.8
147.11632	15.4
147.78819	6.2
149.09605	13.2
149.13272	19.8
155.08594	8.7
157.06410	7.5
157.10091	15.3
159.11679	22.6
161.09647	11.0
171.11736	7.0
173.13257	8.2
175.11180	9.9
177.12697	14.2
185.02774	6.6
195.13760	7.1
201.07732	9.1
203.10526	6.9
217.15840	25.8
233.15376	19.0
245.19044	13.6
269.17407	58.2
273.18439	56.8
275.04773	6.7
286.46625	6.3
291.19516	28.1
297.16852	8.0
325.19943	11.5
332.27835	15.2
335.00049	5.8
347.22098	20.2
360.87592	7.1
365.23184	41.3
383.24225	19.7
418.12283	8.8
508.55396	8.2
536.32947	8.7
580.15564	8.3
580.24689	12.3
580.33435	26.2
581.19336	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	580.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31366	6.3
68.02142	7.5
69.00005	6.5
69.52364	34.7
77.81574	7.3
89.06039	15.7
105.07030	100.0
106.07394	9.6
115.05446	6.8
119.08604	8.8
127.01560	24.2
133.24615	6.4
147.08067	14.8
150.30359	6.7
153.03128	28.4
165.07320	6.9
170.10985	6.9
180.61935	7.7
197.05809	9.2
225.12593	8.7
273.64658	7.6
313.17923	15.6
378.38110	10.6
548.24139	8.3
580.34753	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.7
60.92016	0.7
61.85416	0.7
69.57778	3.1
89.11485	0.7
95.04942	1.0
103.05463	9.1
107.87745	0.8
113.86545	0.8
131.04912	25.2
132.05142	1.0
188.97937	16.8
206.98984	5.9
219.10144	0.8
224.96967	1.1
242.98099	2.1
265.04565	0.8
293.04178	100.0
294.04587	2.6
311.05231	66.7
312.05566	1.9
312.83679	0.7
329.03287	2.9
345.02682	1.4
347.04358	10.1
352.08194	1.0
353.41217	0.7
365.05353	2.5
459.07758	1.0
477.08682	1.6
495.02176	1.7
581.07654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1447
Annotation	Taiwanhomoflavone A
Peak:m/z	Relative Intensity
53.00314	3.6
60.04253	0.7
68.99781	2.0
69.77110	1.6
75.00744	0.7
77.03930	1.6
91.05488	1.6
94.08375	0.6
95.04950	1.7
98.23415	0.9
103.05470	25.3
105.03394	3.6
105.07013	1.1
111.04443	0.7
115.05462	1.7
117.07018	1.1
119.01300	2.5
131.04926	70.0
132.05247	1.3
133.02852	12.1
141.06975	0.9
145.02867	1.4
145.06485	3.0
147.00758	0.8
155.04897	2.1
155.06084	0.7
157.06566	0.7
159.04393	1.4
165.01901	2.2
166.99782	2.7
171.00742	1.5
171.04439	0.7
171.08052	1.1
173.02342	1.0
177.01857	0.7
179.03432	1.6
181.06456	0.6
183.04398	1.9
185.00839	1.9
189.01802	1.2
191.03427	1.0
193.01349	2.6
195.02872	1.2
196.64116	0.6
197.06004	0.6
199.03972	3.4
201.01833	1.6
202.99794	0.8
203.03439	3.7
205.01303	5.9
205.04762	0.8
205.06569	1.2
207.02895	2.0
209.00830	2.5
211.04008	0.7
215.06895	0.7
215.08769	1.1
217.01283	1.8
217.04807	1.0
219.02966	1.0
223.02373	48.9
224.02661	1.3
225.05643	0.7
227.03369	8.7
229.06584	1.2
231.02853	11.8
231.08002	0.7
232.03459	0.9
235.02414	2.9
237.05305	0.8
241.01399	1.2
241.05081	0.8
242.99144	0.9
243.02881	1.6
245.00821	2.1
245.06104	1.2
246.01517	1.0
255.02898	1.7
257.00760	8.4
257.06012	0.9
259.02402	11.9
261.03745	3.4
269.00870	0.9
271.02423	2.7
271.07724	2.9
273.05579	0.9
275.06821	0.7
283.02332	2.0
285.00403	2.1
287.01843	3.2
287.06897	1.0
293.04242	2.7
293.07724	0.6
299.01837	23.1
299.07025	1.4
301.03503	2.2
303.01324	7.7
311.02029	1.3
311.05423	1.9
312.99658	0.8
327.01352	19.8
328.01825	0.9
329.02914	1.3
330.05054	1.0
333.07523	1.5
343.06152	1.7
345.02451	5.3
345.07483	2.1
355.00876	1.5
361.07047	2.1
363.03592	1.1
371.05380	2.5
373.01898	1.9
375.08673	5.9
377.10117	1.4
385.06793	0.8
387.08691	3.7
389.06537	5.8
403.08136	1.6
405.09644	2.6
431.07611	100.0
432.08081	4.0
449.08664	13.2
459.07034	18.4
477.08139	2.0
503.11328	1.9
564.12476	1.4
581.10529	1.1
581.19684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.00298	2.9
53.03941	0.9
60.61561	0.6
68.99787	1.8
69.22690	3.3
69.23098	1.2
75.02358	0.7
77.03917	1.7
91.05502	1.7
95.04951	2.6
103.04770	1.2
103.05461	24.5
105.03384	2.4
105.04456	1.0
105.07053	1.0
115.05462	2.2
117.06981	0.7
119.01296	2.2
121.06536	0.9
131.04919	65.9
133.02852	12.2
141.06984	0.8
142.83028	0.7
143.01265	0.8
145.02875	0.9
145.06464	2.0
147.00793	0.8
147.04439	0.8
155.04921	2.3
155.50797	0.8
159.04411	1.6
165.01851	2.7
166.99777	2.8
171.00749	1.7
171.08028	0.9
173.02290	1.3
173.06010	1.0
179.03407	1.5
183.04427	1.4
185.00816	2.1
189.01788	1.3
191.03326	1.1
193.01277	3.6
199.03888	4.0
201.01820	1.8
203.03334	4.7
203.08707	0.7
205.01326	5.5
205.06516	1.1
207.02913	2.6
209.00819	1.9
213.01758	1.0
215.03482	1.2
215.08549	1.3
217.01332	1.4
223.02356	50.9
224.02602	1.2
225.05486	1.3
227.03345	9.0
231.02840	12.0
233.04388	1.8
235.02428	2.6
238.99741	1.0
240.30069	0.9
241.01270	1.3
243.02893	1.7
244.00015	0.9
245.00775	2.3
249.03833	1.1
255.02895	1.8
257.00793	10.2
259.02383	11.0
261.03784	3.8
269.00903	1.0
271.02377	2.9
271.07571	2.9
275.07098	0.8
283.02307	1.1
285.00385	1.9
287.01932	1.9
293.04135	1.7
299.01843	23.5
299.06998	1.4
300.02246	0.9
301.03455	2.6
303.01343	7.8
311.01767	0.9
311.05124	1.6
315.06494	1.4
327.01309	19.5
329.03748	1.4
333.07471	0.9
343.05991	2.0
343.61514	0.8
344.06546	0.8
345.02402	5.4
345.07785	1.6
355.00931	1.2
361.07205	2.3
371.05392	1.8
372.06226	0.7
373.01889	1.1
375.08649	6.2
377.10431	0.9
387.08401	4.1
389.06540	6.7
391.08365	0.8
399.04880	1.3
403.08011	2.6
405.09753	2.4
413.06393	1.1
431.07602	100.0
432.07935	4.9
449.02875	1.2
449.08716	14.6
459.07086	18.7
460.06985	1.2
477.08151	2.2
503.11166	2.0
564.12732	2.2
605.06226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.2
55.23655	0.9
58.04202	1.4
59.04992	1.0
64.12722	1.2
67.05492	1.8
73.02910	2.7
79.05478	2.4
80.05500	1.2
81.03412	2.4
81.07051	2.4
83.04968	1.6
87.04466	2.7
89.06028	14.4
91.05467	2.3
93.07034	1.8
95.04942	1.0
96.01357	1.0
98.23465	3.1
105.07018	5.4
107.04963	1.1
119.08553	1.2
121.10083	1.3
124.03951	2.4
125.04430	1.0
129.94090	1.0
133.08626	6.9
153.02971	1.6
177.11264	2.3
247.02849	1.2
253.07553	1.0
265.03845	1.2
267.15900	1.9
297.06482	2.7
385.23630	1.3
428.41129	1.1
459.27454	3.2
460.28006	1.4
460.40298	1.1
478.28879	1.6
495.15744	8.9
537.17291	56.7
537.24951	2.0
538.17175	2.8
581.16211	100.0
582.16656	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	581.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.3
58.60543	0.9
60.42092	0.7
67.05492	1.6
68.58893	0.9
69.52465	3.8
71.05032	1.0
73.02902	2.0
73.06540	1.3
79.05515	1.0
81.48161	0.8
86.61369	0.8
87.04442	1.4
89.06028	4.0
90.27583	0.8
97.08688	0.9
105.07032	2.3
117.07241	0.8
124.03960	1.5
127.01571	1.8
133.08618	3.3
136.09859	0.8
143.05835	0.9
153.03139	2.9
168.81464	0.9
177.11330	1.0
253.07584	2.9
270.76129	0.9
271.08493	1.0
279.05447	0.9
279.22607	0.8
289.05212	0.9
297.06488	2.9
315.19150	1.0
333.10855	1.2
408.77704	0.8
469.49905	0.8
495.15671	6.5
537.17303	41.8
538.17487	2.2
581.16437	100.0
582.16425	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	581.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	1.3
55.69040	1.2
57.10438	1.3
63.46967	1.4
63.65780	1.2
69.07072	1.6
71.02074	1.3
87.04448	2.6
89.06019	2.0
91.05473	1.7
91.30292	1.6
102.03210	1.7
102.47059	1.3
105.07036	2.1
111.11098	1.4
121.10165	1.7
124.03948	1.6
124.31957	1.3
127.01555	1.5
142.12947	1.4
145.10161	1.7
146.02148	4.1
163.84813	1.3
169.30724	1.3
174.11388	1.4
256.44415	1.4
271.06021	2.7
442.04706	1.4
458.19489	5.6
581.22479	100.0
581.37482	4.6
582.22528	6.9
599.23029	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	581.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58332	1.0
55.05515	5.7
59.03338	1.1
67.05499	11.8
68.99802	3.3
69.07070	3.3
70.69260	1.7
70.91805	0.9
71.08617	1.4
71.60654	0.9
79.05483	3.0
80.79340	1.0
81.07053	5.0
83.08603	1.3
91.05485	2.5
93.07044	3.6
95.04973	3.1
95.08597	5.7
97.10138	2.4
99.08043	1.6
103.05447	5.0
105.03338	5.5
105.07052	2.4
107.08585	1.4
109.10130	2.8
118.44335	1.2
121.10127	1.1
131.04918	3.2
139.00266	11.2
139.11205	3.2
147.04411	1.4
151.11192	3.4
157.01395	1.3
169.01320	2.3
213.05505	1.9
225.05540	3.3
241.04919	36.3
241.07263	2.2
242.05460	1.6
253.04970	2.8
255.06427	6.5
267.06479	12.7
267.31851	1.2
269.04428	30.1
269.07355	1.8
270.05209	17.3
271.05984	84.0
272.06253	1.2
275.58926	1.1
279.06454	1.4
281.04492	4.2
281.08163	1.7
283.05978	4.0
291.06253	1.1
295.05984	4.3
295.09232	1.3
309.07657	2.1
321.07535	1.2
337.14301	1.3
365.13916	9.4
379.15381	1.2
393.16919	1.3
433.53610	1.3
517.25732	1.5
535.26892	4.6
545.25366	4.4
563.26306	69.0
564.26843	2.7
581.27386	100.0
582.27777	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	581.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22625	0.6
53.03955	0.9
55.01868	1.0
55.05511	5.5
59.05003	0.9
65.03376	0.7
67.05503	12.1
68.99799	0.9
69.03423	0.7
69.07076	3.5
69.88858	0.6
69.92809	2.0
71.04987	1.0
72.27889	0.7
79.05502	2.4
81.06647	0.8
81.07043	4.2
81.56965	0.6
83.01347	2.6
83.04948	1.0
83.08631	1.5
91.05489	3.1
93.07064	2.5
95.04976	3.6
95.08610	4.1
97.10172	1.1
103.05486	1.6
105.03392	25.1
105.04481	1.3
105.07026	1.5
107.08576	1.0
107.25581	0.6
109.10165	5.8
119.08629	1.8
121.10171	1.1
131.04939	2.0
137.09648	0.8
138.01846	1.1
145.10172	0.8
147.04413	1.0
153.01878	1.8
155.01100	1.1
165.01857	1.1
166.01385	2.2
173.11816	0.7
181.01280	9.3
181.02707	0.8
183.02899	2.1
192.00439	0.7
193.01399	1.2
195.02904	2.4
199.02376	9.1
199.32950	0.7
203.03441	1.0
207.02940	1.1
217.08665	2.7
235.09674	1.5
241.05061	1.0
253.05046	1.0
255.06639	2.1
263.09244	4.1
267.06519	17.3
267.09229	1.2
270.05243	1.7
270.07727	0.8
271.05975	20.2
283.05994	75.7
284.06546	1.8
291.06329	0.7
292.05862	1.6
293.04282	0.8
294.05185	9.0
295.06021	8.0
297.04074	1.3
297.07520	16.8
307.06058	2.0
308.06787	1.4
309.07529	6.7
311.05826	1.0
311.09045	4.1
319.13306	1.0
321.07666	3.0
323.09122	2.2
323.12909	1.1
325.10730	0.7
335.09064	1.1
337.10608	0.9
337.14438	0.9
347.12708	3.7
353.13879	0.9
363.12299	0.8
365.13803	19.8
374.13937	3.7
377.13824	3.0
379.15408	3.1
381.17065	5.7
393.17105	2.3
407.14835	1.1
409.17841	0.8
545.25531	3.5
563.26361	55.5
564.13055	2.0
564.26776	2.9
581.27429	100.0
582.17450	0.8
582.27637	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	581.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.2
56.33658	1.1
57.03411	1.4
60.19500	1.1
67.05498	9.7
68.99809	1.6
69.07076	3.8
70.04548	1.1
71.08626	3.2
79.05497	3.0
81.03421	2.2
81.07061	3.2
83.04991	2.7
83.08611	1.3
88.74373	1.2
91.05481	3.3
93.07008	3.3
95.04960	6.8
95.08611	5.4
97.10146	1.5
99.08082	1.3
103.05480	3.9
105.03378	5.0
105.07073	1.9
107.08590	1.9
107.81760	1.2
109.10105	5.7
117.07036	1.3
119.08599	2.3
123.00764	5.5
125.09614	1.4
131.04944	6.4
133.10184	1.2
139.00269	4.3
139.11166	7.9
141.09030	1.4
151.11169	16.0
169.01396	1.6
173.11754	2.4
177.12837	2.4
223.07417	1.1
225.05482	2.3
239.07030	2.6
241.04921	20.8
244.96878	1.3
249.05453	1.2
251.07074	1.4
253.04990	3.2
267.06442	6.2
269.04431	45.9
269.07318	2.3
270.05164	10.3
271.05984	100.0
272.06320	2.3
275.20169	1.4
293.04236	1.4
293.21109	15.9
303.06268	1.9
317.08105	1.4
323.16541	2.9
387.15863	1.5
391.15125	1.5
400.53113	1.4
409.16238	1.4
499.24680	1.6
545.25006	3.0
563.26471	11.5
581.27405	36.3
582.27191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	23.9
57.07069	16.1
66.38178	5.7
67.05495	38.9
69.07053	24.1
70.69273	11.5
71.06458	5.4
71.08620	8.4
79.05488	32.9
80.11777	6.6
81.07044	83.1
83.04961	23.2
83.08614	5.3
91.05473	39.7
93.07038	67.8
94.07447	5.7
95.04971	38.9
95.08594	66.5
97.10143	9.5
105.07016	87.6
107.08594	59.6
109.06503	6.4
109.10128	37.8
117.06985	16.9
117.57123	5.5
119.08560	55.6
121.10136	28.3
123.11694	16.0
129.07001	7.5
131.08542	44.6
133.10117	100.0
135.11673	21.4
138.19391	6.6
143.08543	16.6
145.10110	53.0
147.11703	35.4
149.13216	9.5
156.09415	5.6
157.10106	20.6
159.11690	48.2
161.13225	23.5
169.10078	9.2
171.11655	15.6
173.13205	25.1
175.14818	8.6
183.11629	6.6
185.13196	12.7
187.14775	13.7
189.16399	10.7
195.11728	7.7
197.13226	8.8
199.14729	11.3
201.16393	34.1
203.17978	8.6
210.50095	6.1
211.14670	8.4
213.16367	10.9
215.18030	6.9
225.16315	9.1
285.13107	6.1
335.27307	10.7
353.28284	22.8
403.70197	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	582.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35477	0.9
66.02491	1.1
67.05501	1.4
69.58770	3.6
69.59113	1.8
78.41897	0.9
80.26335	1.1
95.08566	1.4
103.05473	4.5
124.01338	8.7
124.41144	1.0
131.04907	7.8
151.00017	1.3
160.00084	3.1
178.01186	3.0
187.99571	3.2
206.00525	1.6
225.05363	1.4
264.06241	5.7
271.06036	1.7
281.70740	1.1
283.05890	1.7
292.05780	100.0
293.06534	6.0
304.05887	5.4
312.05896	2.1
332.05368	4.5
374.06226	1.6
376.04346	2.3
434.08279	1.4
435.10828	1.8
460.06232	1.6
463.10248	2.4
478.12051	2.0
564.12518	5.3
564.26239	1.8
581.26941	1.5
582.14453	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	582.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15664	0.7
55.01863	3.9
56.05017	1.3
57.98792	2.1
65.95525	0.8
67.04256	0.7
68.05050	0.8
70.06578	3.3
71.58463	0.7
72.08151	0.9
73.01138	18.5
73.02901	2.9
74.00655	3.0
74.02435	3.4
75.01440	1.7
75.02704	8.2
80.05022	1.2
81.03399	1.0
83.06097	2.6
84.04501	24.2
84.08118	1.0
85.02878	1.7
86.09684	1.3
90.03773	72.8
91.02198	0.9
101.00597	100.0
107.06065	1.9
107.08633	0.9
108.04491	1.5
109.24103	0.8
110.07146	0.9
111.05567	0.9
112.03942	5.1
114.03749	1.8
116.07108	1.5
118.03233	1.8
119.01630	9.0
119.82969	0.7
120.08139	1.1
127.03906	1.0
128.05312	2.6
129.06609	3.0
130.04991	24.2
134.05830	0.9
136.03900	1.3
142.03273	1.1
143.08139	5.6
144.06554	11.8
148.04303	2.3
151.03917	17.2
151.05048	1.9
153.06586	2.4
155.06364	1.9
156.04778	9.1
161.09253	1.1
167.08134	1.5
168.06476	0.8
176.03755	54.0
180.04752	0.9
181.06181	1.3
190.03621	1.2
193.06416	19.5
195.07639	1.9
196.05978	0.9
201.06935	2.8
202.05290	2.9
207.06244	1.1
213.08653	4.3
215.08551	2.5
216.06812	1.7
219.02872	1.1
229.06447	3.5
230.04843	1.0
233.09415	1.8
243.07954	4.6
244.06378	87.4
245.06699	1.2
247.07562	4.9
259.07498	3.5
261.09027	18.7
312.09982	1.3
313.08987	4.5
330.11154	4.8
333.09354	1.1
336.12250	22.2
350.11963	12.6
351.12500	0.8
360.10617	1.1
361.08899	2.0
378.11462	12.3
416.12650	1.8
436.12076	2.4
440.53464	0.8
444.12463	1.7
453.14679	23.0
459.15479	2.7
507.15924	4.5
516.28516	0.9
545.62421	0.9
564.18024	1.8
582.18689	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	582.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46941	0.6
53.03942	0.8
55.01865	2.4
57.82855	0.7
65.03946	3.6
65.78362	0.7
67.05478	1.1
75.04480	4.4
77.03924	1.7
78.04706	4.4
79.05499	1.5
81.03395	0.9
82.47767	0.7
85.02882	3.9
89.03904	1.3
89.06017	1.3
91.05471	14.8
93.03401	14.4
93.07040	7.3
95.04968	7.0
97.06530	2.8
103.05463	7.8
103.81264	0.7
105.03357	0.6
105.04493	2.0
105.07008	1.6
106.04171	33.3
107.04930	2.3
109.06480	1.0
110.07288	0.8
111.04435	1.1
117.03329	0.9
119.04931	1.4
121.06503	33.4
123.04411	1.3
123.08059	1.1
125.05994	10.1
127.16163	0.7
131.04922	2.2
132.53041	0.7
133.06424	1.3
134.03629	6.7
135.07985	0.9
137.05962	4.8
137.06866	0.7
138.06735	1.3
139.07542	2.7
145.02782	1.3
148.05179	2.5
149.05974	50.5
150.06334	0.9
151.07542	3.3
152.41895	0.7
153.05443	1.6
153.09100	14.1
161.05936	1.0
162.01334	1.6
163.07565	3.0
166.06189	1.8
167.06985	1.2
177.05469	26.2
177.06990	1.6
181.06975	1.2
181.08580	23.3
182.08992	1.0
186.98817	0.7
188.55765	0.7
191.06956	3.6
207.08900	0.9
209.08076	100.0
210.08519	2.3
223.04243	5.8
251.09160	5.5
366.40530	0.8
369.13135	1.9
375.48080	0.8
401.15942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28410	0.3
51.02350	0.6
51.97767	0.2
58.67059	0.3
67.05506	0.6
69.03429	0.3
71.04981	0.7
74.03162	0.3
78.03008	0.3
78.03455	5.0
79.04218	0.3
79.05482	0.9
80.05006	4.4
81.07047	1.0
91.05470	1.4
93.07039	1.8
95.04955	0.3
95.08591	1.0
96.04479	4.8
105.06997	1.8
106.02908	13.9
107.08608	1.5
109.06504	0.6
109.10152	0.7
117.07021	0.7
119.08554	2.2
121.06497	0.7
121.10133	1.3
123.08039	0.4
124.03943	100.0
125.02374	0.4
125.04265	0.7
129.07007	0.6
131.08571	0.9
132.75481	0.3
133.06512	0.3
133.10129	1.1
135.08047	1.2
137.09508	0.3
142.07767	0.8
143.03323	0.3
143.08542	1.8
145.10071	1.6
147.08035	0.9
147.11691	0.5
149.09569	0.4
153.07042	0.3
155.08575	0.5
156.09312	0.8
157.10115	2.0
159.08095	0.5
159.11703	1.4
161.09608	0.6
161.13278	0.5
163.07567	0.3
169.10126	0.5
170.10881	0.5
171.11656	1.8
172.12416	0.5
173.09599	0.3
173.13269	0.9
175.11156	0.8
175.14851	0.3
176.32648	0.3
181.10130	0.6
182.10812	0.4
183.11671	2.0
185.13229	0.9
187.11166	0.6
187.14752	1.6
188.15649	0.5
189.09111	0.4
189.12756	0.8
192.09253	0.4
193.10178	0.4
195.11658	0.7
197.13274	0.9
198.13965	2.5
199.14842	0.5
201.12630	0.4
203.14330	0.6
207.11737	0.3
209.08058	0.9
216.15137	0.6
223.11166	0.5
234.13979	0.3
237.16415	0.6
244.13306	1.7
249.16267	0.5
265.15793	1.0
269.11694	0.4
283.16840	0.7
293.15369	0.4
301.17960	1.2
311.16483	3.1
329.17422	4.8
434.19315	0.8
452.20602	5.2
512.22791	24.6
513.23108	1.3
516.47034	0.4
522.24902	2.1
540.26404	0.4
582.27313	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	582.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05507	13.4
57.03431	3.6
57.07065	2.8
59.04980	2.4
61.02920	4.5
61.65744	1.6
63.64698	1.5
67.05505	7.9
69.03426	10.3
69.07066	5.0
70.06590	4.9
70.89417	1.5
71.04996	2.3
71.40599	1.5
73.02905	3.8
79.05483	5.8
79.36854	1.5
81.03416	4.8
81.07050	15.4
83.04973	13.9
83.08615	11.4
84.04539	1.6
84.08142	5.0
85.02899	38.5
85.06535	6.2
86.09711	3.7
87.04476	2.7
91.03952	1.6
91.05476	7.1
93.07055	10.0
95.01327	11.4
95.04976	13.3
95.08598	6.9
97.02888	10.6
97.06527	10.8
99.00787	1.6
99.04464	2.2
99.08043	2.0
105.07011	17.3
107.08585	20.5
109.02857	2.9
109.06506	23.0
109.10141	30.6
110.07162	2.7
111.04384	2.2
111.08046	4.4
113.02387	2.5
115.07594	2.4
117.07068	1.7
119.08574	10.2
120.08082	2.9
121.10130	15.4
123.08063	2.7
123.11682	7.6
125.05972	2.2
125.09627	3.5
127.03911	10.7
131.08551	11.8
133.10124	47.2
135.08034	6.0
135.11678	5.5
136.06194	2.9
136.07594	2.8
141.01808	28.1
143.08568	2.1
145.04962	15.0
145.10112	6.2
147.11719	11.8
149.09621	1.6
149.13243	7.2
151.03894	35.0
151.11160	17.6
153.09087	11.1
158.10898	5.6
159.02902	4.7
161.13139	1.9
163.06001	5.2
163.14784	4.8
165.12732	3.8
167.14313	20.4
169.04938	3.2
171.55852	1.6
173.13239	33.9
173.14720	1.8
175.14836	12.8
185.65958	1.5
191.14293	27.3
209.15353	100.0
227.12776	3.1
227.16386	14.6
295.08118	2.1
308.02466	1.6
313.09296	3.3
391.47391	1.7
576.30225	2.2
582.19360	2.3
582.27753	2.9
605.63916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	1.4
51.02371	2.6
53.03933	0.7
53.41278	0.4
55.01845	0.4
55.05515	3.8
57.07067	0.6
65.03925	1.5
65.20387	0.4
67.05170	0.4
67.05503	6.6
69.07064	3.5
69.42819	0.9
69.43211	0.9
71.04971	1.0
73.06552	0.7
78.03451	30.2
79.05491	4.5
80.05020	4.7
81.06563	0.6
81.07053	9.9
83.04968	0.6
83.08616	1.5
85.06537	0.4
91.05475	9.6
93.07048	7.5
95.04966	1.6
95.08601	17.3
96.04493	10.0
97.06535	0.7
98.23476	0.7
103.05448	0.8
105.04484	0.5
105.07024	18.1
106.02911	86.1
107.03254	1.2
107.04964	0.6
107.08591	7.9
109.06526	1.1
109.10151	3.6
111.04445	4.3
115.05432	0.7
115.07560	7.3
117.07017	4.1
117.98084	0.4
119.06086	1.1
119.08574	33.5
121.06490	0.7
121.10138	5.8
123.08055	0.8
123.11731	0.9
124.03945	100.0
125.04314	1.0
125.05969	0.5
128.06229	1.2
129.07001	3.1
130.07796	1.1
131.08569	7.2
132.09395	0.5
133.10123	31.7
134.10497	0.6
135.08032	0.5
135.11665	2.3
141.06952	2.0
142.07803	2.1
143.07106	1.1
143.08563	5.7
144.09393	2.0
145.06471	0.5
145.10115	11.8
145.11221	0.7
146.10881	0.8
147.08113	0.6
147.11679	12.4
149.13332	0.6
153.09059	0.7
154.07736	0.7
155.08563	4.0
156.09341	3.2
157.10106	7.8
158.10905	1.3
159.11684	13.7
160.12468	1.3
161.09572	0.6
161.13260	5.1
163.07613	0.5
165.07016	0.8
165.09132	1.2
167.08597	0.8
168.09332	1.3
169.10109	5.3
170.10904	1.9
171.11685	8.3
172.12300	0.8
173.09647	1.3
173.13258	8.3
174.13789	0.4
175.14812	0.8
177.09190	0.6
179.08731	0.6
179.10632	1.2
181.10201	1.8
182.10922	1.7
183.11682	7.7
184.12508	0.8
185.13251	8.0
186.14047	1.2
187.11150	1.9
187.14827	3.8
188.15543	0.8
189.09157	0.6
189.16364	3.6
191.10675	1.5
193.12086	0.5
195.11702	3.2
196.12401	0.9
197.09593	0.6
197.13251	10.7
198.13843	0.7
199.11206	1.7
199.14799	5.6
200.15428	0.6
201.09085	0.6
201.12642	0.5
201.16354	6.7
202.17064	0.5
203.10735	1.1
205.12250	2.4
209.13344	1.2
210.14059	0.9
211.11217	1.6
211.14827	5.0
213.12845	1.3
213.16418	1.1
215.10747	0.9
217.12218	2.2
219.11621	0.6
219.13739	0.5
221.13281	0.9
223.14874	0.8
224.15633	1.4
225.12778	3.0
225.16467	1.6
229.12227	2.5
231.13849	1.0
237.16324	2.5
238.17177	0.6
239.14316	1.5
239.17912	6.2
243.13837	4.0
253.15903	0.6
253.16475	0.6
253.19531	8.8
255.21181	1.1
257.15436	2.1
263.17972	1.3
271.20798	1.2
281.18991	5.7
284.18033	0.4
299.20026	34.5
300.20441	1.1
422.23199	13.9
433.49185	0.5
440.24405	0.6
540.29926	1.1
582.30627	17.1
583.31122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87438	1.7
51.23427	2.0
55.01880	1.8
58.33086	1.8
64.95825	1.9
67.05499	14.6
69.03418	2.2
69.96783	5.7
70.14747	1.5
71.04986	11.6
79.05486	2.9
81.07046	7.9
83.04982	4.7
84.54435	1.8
91.05473	3.7
93.07040	7.5
95.04977	4.9
97.02902	5.5
105.07018	5.4
107.08577	5.4
109.06501	5.0
110.97839	1.8
111.04427	7.3
111.08068	2.9
117.07039	2.2
119.08601	9.3
123.08073	2.5
129.06992	5.3
131.08580	5.3
133.10118	4.2
135.08000	10.0
139.07564	2.3
142.07793	5.1
143.08540	6.5
145.06465	2.0
145.10130	4.6
147.08064	8.8
155.07030	32.0
155.08397	3.3
156.09389	5.4
157.10120	16.6
159.08061	4.4
159.11713	6.8
161.09615	3.8
167.08578	5.2
169.10143	10.3
170.10841	3.4
171.11664	24.9
172.12347	2.2
173.09636	5.8
173.13261	4.8
177.09052	2.5
179.08575	6.1
181.08659	3.7
181.10023	10.6
182.10815	2.6
183.11633	9.1
185.09599	7.9
185.13277	7.1
186.10382	6.3
187.11214	2.2
192.09328	2.5
193.10146	9.4
194.10936	5.4
195.10100	2.8
195.11690	7.6
197.13246	4.7
199.11209	9.5
199.14735	2.7
200.11937	8.8
201.12718	27.3
205.10088	2.7
206.11012	3.1
207.11725	8.3
208.12477	7.2
209.13222	17.9
209.54730	2.3
209.84006	1.9
210.10396	2.7
211.11182	2.7
213.12782	10.9
217.10197	2.2
217.12167	2.3
218.10936	4.0
219.11592	2.4
220.49020	1.8
221.13292	4.5
222.14073	4.5
223.11354	3.1
223.14778	26.0
225.12729	2.7
227.14127	2.1
232.12584	2.5
232.33820	1.9
233.13219	10.8
236.11932	4.3
237.12747	4.0
237.16353	3.5
247.14801	3.1
250.13542	2.9
251.14290	27.6
265.15842	13.0
267.13525	1.9
269.15240	10.9
275.14365	4.3
278.13095	2.2
283.16937	11.9
287.16617	2.1
289.03848	2.0
293.15341	15.4
301.17957	3.4
311.16376	100.0
312.16507	2.4
329.17392	36.1
339.19098	2.0
371.18396	4.9
381.20667	3.1
384.61368	2.2
399.21744	27.3
459.23355	2.5
472.15326	1.9
547.28772	7.1
582.32745	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	582.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
55.05513	1.8
59.49413	1.4
62.37262	1.3
64.64754	1.4
67.05501	18.0
69.03423	3.9
69.07045	1.9
70.57665	1.3
71.04994	13.8
73.38701	1.2
79.05483	4.9
81.07047	13.8
83.04976	3.6
87.36008	1.2
89.53060	1.3
91.05465	8.9
93.07044	8.3
94.22672	1.3
95.04980	9.2
95.08595	3.1
97.02900	9.3
97.06531	1.8
105.07017	11.6
107.04990	2.0
107.08566	7.4
109.06501	12.2
111.04442	7.2
111.08056	2.7
111.31063	1.4
113.06054	1.6
115.05427	1.8
117.07000	5.9
119.04925	1.6
119.08580	18.4
121.06506	5.7
121.10132	3.4
123.08069	2.7
128.06226	2.2
129.06978	7.2
131.08528	8.1
133.06451	2.3
133.10136	10.6
135.08066	27.4
137.05994	3.0
137.09641	1.5
139.07527	2.1
141.05505	1.5
141.06995	3.7
142.07722	7.9
143.08586	10.0
145.06476	3.4
145.10075	8.2
147.08029	11.6
147.11688	1.6
149.05885	1.4
149.09616	1.7
151.07565	1.6
155.07025	29.5
155.08528	4.7
155.18904	1.5
156.09332	5.9
157.06425	1.8
157.10149	17.8
159.08075	7.5
159.11690	5.5
161.09589	10.6
165.06946	3.4
167.08600	4.7
168.09366	2.8
169.10123	10.0
170.10864	4.3
171.08058	3.7
171.11684	22.7
172.08777	1.6
172.12428	2.4
173.09610	9.8
173.13312	8.1
175.11192	12.6
176.11548	1.4
179.08562	6.1
180.09319	2.7
181.08614	3.6
181.10127	11.6
182.10884	2.7
183.11670	8.7
185.09599	11.4
185.13202	10.5
186.10345	5.9
187.11183	5.2
189.12720	2.6
192.09320	2.5
193.10135	12.0
194.10840	6.6
195.07961	1.6
195.10153	2.2
195.11697	12.6
197.13219	5.7
198.10400	2.4
199.11198	17.1
199.14893	2.5
200.11922	12.6
201.12738	27.7
203.10591	4.4
206.10840	3.1
207.11661	12.9
208.12448	8.2
209.09619	3.7
209.13249	21.6
210.10452	2.2
211.11197	5.7
211.14719	3.2
213.12747	11.5
213.38086	1.3
217.10268	1.8
217.12259	3.8
218.10869	3.7
219.11813	1.8
220.12367	3.5
221.11511	2.7
221.13298	4.3
222.10490	1.5
222.13939	2.5
223.11201	5.3
223.14809	32.9
225.12740	5.1
227.10597	2.8
227.14284	3.9
232.12440	2.0
233.13316	7.6
235.11183	3.3
236.11876	7.8
237.12694	4.1
237.16399	8.2
239.14275	3.6
241.15868	4.9
247.14926	4.1
249.12619	1.9
250.13542	3.9
251.14294	27.8
252.14714	1.4
253.12238	3.2
265.15942	12.6
267.13644	2.8
269.15338	18.7
275.14307	2.4
283.16895	15.4
287.16425	3.7
293.15396	15.3
296.14008	3.0
301.17984	4.5
311.16385	100.0
312.16650	3.5
313.18005	4.6
329.17456	52.8
330.17722	2.4
331.19046	2.1
347.18643	4.7
371.18484	4.6
381.20557	2.2
399.21613	11.0
417.22647	3.7
464.35068	1.4
582.30243	2.3
583.23590	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	583.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.7
50.78028	0.8
51.02365	1.7
53.03947	4.4
58.23100	0.6
61.73484	0.7
68.99786	7.1
70.06593	11.3
77.03942	3.8
81.03426	0.8
83.01342	1.9
84.08154	2.5
85.02884	1.4
91.05500	1.2
92.99753	0.8
95.01315	1.3
95.04964	20.3
95.89385	0.7
102.04682	1.9
103.05480	13.7
104.47867	0.7
105.03395	100.0
105.04418	8.7
106.02908	1.0
106.03741	1.4
109.02805	0.8
112.08748	3.4
115.05457	3.1
116.06245	1.0
121.02881	0.8
123.00868	0.8
125.02371	1.4
128.06279	0.8
129.03366	15.6
131.04929	31.6
132.05237	2.2
137.02338	1.7
139.00301	1.7
143.04955	0.8
145.01373	1.4
147.04402	1.9
149.02342	1.1
150.54340	0.6
151.00356	0.7
152.06261	0.8
153.01820	6.8
156.06799	0.7
157.06512	1.3
157.07579	5.9
161.05972	6.2
165.01801	1.8
167.03502	0.7
168.02951	2.4
168.05798	1.1
169.01355	1.0
171.02989	1.0
171.04445	1.8
172.05115	1.0
178.01212	1.0
180.00548	1.2
180.05727	1.5
180.17467	1.0
181.01337	1.4
181.06583	1.2
185.05919	0.9
187.00250	1.3
189.01901	2.0
190.99754	1.2
191.03439	0.7
192.05692	0.9
193.01378	1.2
196.05228	0.8
197.00848	1.1
197.05957	0.9
199.03900	1.9
201.01874	0.7
201.05521	1.4
202.08679	1.3
204.00577	0.8
205.01250	0.9
207.02907	0.8
208.05194	1.7
209.00865	1.0
209.06038	1.2
210.06831	1.2
213.05429	1.0
214.99692	1.0
217.04904	2.0
220.02382	0.9
220.05246	2.4
221.06070	1.6
222.01532	1.3
222.06805	1.7
223.02330	0.9
223.07607	0.8
224.04779	1.4
225.05646	1.1
228.07341	0.7
229.01308	1.0
230.00760	1.3
230.08090	1.9
231.06453	1.6
231.08545	1.3
233.00903	1.2
234.06799	1.0
236.04652	2.0
237.05490	3.4
238.06230	3.7
241.01288	1.3
241.04941	3.8
243.06503	1.1
245.00722	0.9
246.07542	1.0
247.05997	2.0
248.04620	1.4
249.05496	1.6
250.06252	2.1
251.07068	1.6
252.04271	3.3
253.05151	3.3
254.05786	1.8
255.06494	12.3
257.00620	0.8
257.04510	4.3
261.00403	1.2
261.05322	1.2
262.06351	2.7
263.01855	0.8
264.04169	3.0
265.05020	9.8
266.05728	2.2
267.06540	2.1
268.15674	1.3
269.00851	2.0
269.04520	6.4
269.07211	0.9
270.05228	5.2
271.05963	3.8
272.09171	1.6
273.00388	1.7
274.07013	2.0
275.05173	5.3
276.04175	3.1
277.04944	0.8
278.05719	6.6
279.06427	4.1
280.03598	1.1
281.04449	4.1
281.26471	1.2
282.05121	5.1
283.06055	2.6
284.06552	0.9
285.07568	8.7
286.07870	1.1
288.04138	2.6
289.04974	3.2
290.05679	2.3
291.06604	2.7
292.03702	1.3
293.04431	4.5
293.07629	1.2
294.05197	4.3
294.80460	0.8
295.02725	1.3
295.05997	12.4
296.03271	1.1
297.04034	1.6
297.07538	3.1
299.05539	2.2
300.99747	1.6
301.04950	1.0
303.06519	1.5
304.03699	2.4
305.04681	3.5
306.05170	5.9
307.06000	3.3
308.03189	1.7
309.07593	4.2
310.04510	1.3
313.07043	1.7
316.03592	1.2
317.04559	3.9
317.07953	0.9
318.05161	3.3
319.05988	2.6
320.06729	1.5
321.03918	2.8
321.07422	1.6
322.04590	0.9
323.05356	3.9
325.07132	1.1
330.05170	1.0
331.06049	3.3
332.03348	3.5
333.03973	5.5
333.07367	1.1
334.04633	4.0
335.05515	3.2
337.03375	1.0
337.07187	1.1
342.06125	6.4
343.06390	3.4
344.02554	1.8
345.03922	1.5
346.04660	2.0
347.05466	6.9
348.06290	2.1
349.07092	2.5
350.04288	0.9
351.05090	3.3
351.08929	1.2
353.06693	1.5
359.05038	3.0
360.02557	1.7
361.03445	4.6
361.07169	2.3
362.04102	3.7
363.04910	4.0
363.09738	1.9
365.06519	1.7
367.08380	1.1
372.02612	3.2
373.03070	1.6
373.07294	1.7
374.08859	2.1
375.00275	1.3
375.04916	3.9
375.09210	2.6
376.05676	3.5
377.06638	4.0
379.09402	1.2
380.10400	0.9
381.06042	1.9
387.05023	10.5
388.01935	3.3
389.02759	1.5
390.03757	1.3
390.08566	0.9
391.08331	3.9
393.05609	1.1
393.10159	1.2
401.06479	1.3
403.04391	4.1
405.06061	9.7
406.08313	2.1
407.09146	1.9
408.09894	2.5
409.10214	0.9
416.01636	6.9
417.02213	1.6
418.08417	1.0
419.07840	5.4
420.09744	0.9
421.05728	2.0
422.07864	1.0
428.16037	1.9
431.03995	31.5
432.04446	1.3
434.08011	1.1
435.08279	4.0
436.09174	3.7
437.09204	2.0
444.07230	1.3
446.12518	2.5
447.07687	1.7
447.12741	2.9
448.09256	3.5
449.04907	1.8
449.10291	3.3
451.12561	1.3
461.04410	4.2
461.10138	1.9
462.07068	1.7
463.07864	13.3
464.08881	17.1
465.09647	5.2
466.06384	0.8
474.06583	1.7
475.07971	2.5
477.09970	2.1
478.10645	2.3
478.16266	0.9
479.11133	13.2
480.08594	2.4
481.08755	3.4
489.09579	3.1
490.06537	1.4
491.07510	6.3
492.08350	6.3
493.13226	3.5
495.10724	2.1
497.07101	1.9
505.09238	6.7
507.10825	25.0
508.11063	2.2
518.06604	2.2
519.07574	2.9
521.12726	4.8
523.10297	9.5
533.08673	25.6
533.16699	1.3
534.08984	3.7
535.10022	1.5
537.11908	18.1
539.13440	39.0
540.13727	2.1
547.09930	1.0
551.09821	16.9
551.17926	1.3
552.10046	1.3
565.11389	14.5
566.12671	1.3
583.12274	66.2
584.12231	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	583.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94942	0.2
53.03941	0.4
55.19578	0.2
65.03943	1.4
68.01089	0.2
68.99802	0.3
69.03421	0.9
76.95444	0.3
81.03411	2.6
85.02900	1.1
91.05468	3.1
93.03391	0.3
95.04951	1.7
97.02885	1.7
99.04449	0.4
101.77991	0.2
103.05458	0.3
103.11812	0.2
105.07021	2.1
109.02892	1.2
111.04430	1.3
112.01550	0.5
115.05444	0.2
117.06993	0.2
119.04967	0.3
121.02856	39.7
121.03890	1.7
122.03146	0.3
127.00277	0.5
127.03903	0.7
127.42774	0.2
139.03888	4.2
140.00998	1.0
145.04999	0.5
150.30360	0.3
151.03891	0.8
153.01822	0.3
163.03874	0.4
168.00529	6.9
169.01167	0.3
175.04085	0.2
175.11952	0.3
183.02882	6.6
186.01591	3.2
205.05029	0.3
217.04953	0.4
258.05185	2.0
265.04404	0.5
265.07007	3.9
265.09573	0.3
268.03616	1.0
269.04446	0.5
271.05936	0.4
277.08569	0.3
283.08096	0.5
285.03842	1.0
286.04681	21.5
287.05124	0.9
295.09598	0.3
301.07031	100.0
302.07346	3.2
313.10648	0.4
337.10608	0.6
347.17670	0.3
349.10678	0.7
367.11722	0.6
379.11676	0.6
391.11615	0.4
403.11874	0.5
415.13531	0.8
433.12955	0.5
463.13297	0.6
481.14981	0.2
531.70105	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	583.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
53.83065	0.1
55.01869	0.1
65.03941	0.3
65.29605	0.1
67.05518	0.2
68.99803	0.2
69.03429	0.1
77.03919	0.1
81.03398	0.5
81.04317	0.1
81.37087	0.1
85.02897	0.2
90.81069	0.1
93.03413	0.2
95.01330	0.5
95.04970	0.2
97.02900	0.2
103.05463	1.7
105.03387	0.8
108.02076	0.2
109.02877	0.3
111.04449	0.3
121.02897	0.2
123.00784	5.9
125.06024	0.2
129.03343	0.1
131.04898	0.1
141.01799	0.6
141.05481	0.2
141.06963	0.2
144.45862	0.1
151.00301	0.2
151.03902	10.5
151.04980	0.7
152.04211	0.2
169.01300	1.7
169.03699	0.1
169.05042	0.6
197.05992	0.3
207.02885	0.2
207.04558	0.1
215.06863	0.1
223.88857	0.1
225.05441	1.1
229.04921	0.3
253.04953	2.8
254.05347	0.2
270.05273	0.1
271.05984	100.0
272.06335	3.3
272.08585	0.0
276.48987	0.1
295.08069	1.1
311.08987	0.1
313.09070	0.3
426.81985	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	583.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94942	0.2
53.03941	0.4
55.19578	0.2
65.03943	1.4
68.01089	0.2
68.99802	0.3
69.03421	0.9
76.95444	0.3
81.03411	2.6
85.02900	1.1
91.05468	3.1
93.03391	0.3
95.04951	1.7
97.02885	1.7
99.04449	0.4
101.77991	0.2
103.05458	0.3
103.11812	0.2
105.07021	2.1
109.02892	1.2
111.04430	1.3
112.01550	0.5
115.05444	0.2
117.06993	0.2
119.04967	0.3
121.02856	39.7
121.03890	1.7
122.03146	0.3
127.00277	0.5
127.03903	0.7
127.42774	0.2
139.03888	4.2
140.00998	1.0
145.04999	0.5
150.30360	0.3
151.03891	0.8
153.01822	0.3
163.03874	0.4
168.00529	6.9
169.01167	0.3
175.04085	0.2
175.11952	0.3
183.02882	6.6
186.01591	3.2
205.05029	0.3
217.04953	0.4
258.05185	2.0
265.04404	0.5
265.07007	3.9
265.09573	0.3
268.03616	1.0
269.04446	0.5
271.05936	0.4
277.08569	0.3
283.08096	0.5
285.03842	1.0
286.04681	21.5
287.05124	0.9
295.09598	0.3
301.07031	100.0
302.07346	3.2
313.10648	0.4
337.10608	0.6
347.17670	0.3
349.10678	0.7
367.11722	0.6
379.11676	0.6
391.11615	0.4
403.11874	0.5
415.13531	0.8
433.12955	0.5
463.13297	0.6
481.14981	0.2
531.70105	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	583.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05473	0.1
57.03445	0.2
59.04980	0.1
65.03937	1.6
67.01875	0.5
67.05496	1.0
68.76342	0.2
68.99800	0.3
69.03423	1.5
69.07089	0.2
69.69039	0.4
69.69366	0.2
73.02907	0.2
73.65427	0.1
76.97913	0.2
77.03926	0.2
79.05511	0.3
81.03413	2.6
81.07080	0.3
85.02907	1.2
87.00819	0.3
87.04486	0.2
91.05484	1.4
93.03390	0.9
93.07057	0.3
95.04954	1.0
95.08613	0.4
97.02884	2.2
98.22754	0.3
99.04447	0.3
105.01864	0.2
105.04565	0.2
105.07033	1.0
107.08587	0.3
108.02071	1.0
109.02882	1.4
109.10168	0.5
111.04440	1.8
119.04945	2.1
119.08562	0.3
121.02851	0.9
121.10155	0.2
123.04530	0.2
125.05987	1.5
127.03925	0.7
129.01814	0.3
133.10097	0.2
135.08063	0.4
135.11681	0.2
136.01599	0.2
137.05998	0.6
141.05455	0.9
145.02843	0.5
145.04970	0.2
145.06494	0.2
145.10071	0.3
149.09573	0.3
151.03902	44.9
151.05008	4.6
152.04256	0.7
153.01813	4.8
153.03065	0.2
159.11621	0.2
163.03935	0.7
163.11186	0.2
169.04970	3.7
171.02907	0.5
187.03882	0.3
205.15805	0.2
225.05400	0.3
229.04956	0.4
233.32266	0.2
243.06447	0.4
271.05978	100.0
272.06326	3.4
273.89264	0.2
295.08109	2.7
299.19989	0.3
313.09271	1.0
317.21207	1.0
335.22055	0.5
337.10532	0.3
379.11954	0.3
391.11581	0.3
403.11496	0.2
407.11157	0.2
462.64767	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	583.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03408	0.7
53.00313	0.8
59.45981	0.7
68.99779	3.5
70.06573	1.0
70.13866	0.8
71.01359	1.3
79.92123	0.7
87.72511	0.7
90.28443	0.9
91.05454	4.2
95.01325	7.0
95.04954	1.3
103.05463	22.5
105.03407	1.2
105.07008	1.3
106.22394	0.8
107.04945	3.6
111.00800	1.8
112.34003	0.9
115.05449	17.8
117.07014	0.9
119.04925	1.3
128.06195	2.2
129.06992	4.9
131.04921	100.0
132.05246	1.8
135.04335	1.0
138.01859	1.8
139.00293	4.8
141.06952	1.0
142.06502	9.8
152.06221	1.7
153.06963	1.4
155.04863	3.5
155.06021	1.3
156.08072	3.3
157.01355	1.1
163.03905	4.5
164.03369	1.0
165.06996	1.7
167.08548	1.9
168.02901	2.3
168.08115	0.8
170.06018	6.7
177.07071	0.9
178.07761	0.9
181.06546	1.1
183.02734	1.0
184.07571	2.9
186.09105	3.6
190.01216	1.2
192.02869	5.8
195.08102	1.8
196.07474	1.3
198.09131	3.4
199.03893	8.2
208.02502	1.1
210.09306	1.5
212.07047	64.1
213.05486	1.6
213.07355	1.4
218.00838	7.3
220.02414	0.9
223.07506	1.2
224.07022	1.7
226.08687	1.8
230.04544	1.1
230.08078	4.6
238.04935	6.7
241.04947	8.6
249.05470	1.0
251.07036	1.6
252.06522	3.4
254.08057	6.2
256.02292	1.2
258.03970	2.0
259.06058	2.1
278.08224	1.9
280.06033	49.8
281.06409	1.8
286.03436	3.7
288.01163	0.9
292.00922	2.7
296.09149	5.4
298.07013	6.6
306.02319	2.0
312.01358	4.5
314.02856	4.4
322.03497	0.8
322.07047	25.4
330.02042	0.8
342.11160	1.7
384.12265	65.3
385.12534	3.3
390.09674	1.2
392.07748	3.9
399.53366	0.9
400.15598	2.3
400.89325	0.8
416.07559	3.7
418.09079	3.3
426.13333	86.6
427.13583	3.4
434.08710	4.3
462.02966	0.8
462.08267	6.9
494.15704	1.8
505.35355	1.0
520.13947	10.0
522.15875	1.9
538.15131	8.5
548.13251	1.3
566.14398	69.8
567.15015	4.3
583.18085	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	583.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01863	3.6
57.03433	1.5
62.01833	0.9
64.22099	0.9
65.03936	3.2
69.38306	3.2
69.38715	1.6
70.06590	1.1
79.05483	3.3
81.03423	4.0
85.02907	9.8
91.05478	100.0
95.01339	1.8
95.04967	2.3
97.02892	3.6
103.03946	1.7
103.05447	3.5
105.03386	1.7
105.07025	91.6
106.07355	1.5
109.02879	3.8
115.05454	11.7
117.07008	3.6
119.04942	1.6
121.02861	4.6
121.06503	1.1
123.04449	2.7
125.02384	1.0
127.03910	1.0
128.06155	0.9
129.07001	2.5
131.04904	2.0
133.06479	7.0
135.04420	1.4
139.03917	2.3
141.07028	1.8
145.02850	1.0
145.06480	1.8
147.04425	3.2
149.02388	1.3
151.03891	7.4
153.06886	0.8
155.04884	1.1
157.06493	8.7
159.04402	2.1
161.05945	1.8
163.03911	9.4
165.05585	1.2
165.07076	1.5
167.08575	1.8
169.06383	1.2
171.04372	0.9
173.02324	2.1
173.05975	0.9
175.03893	3.1
175.11848	1.6
177.01817	1.1
177.05504	3.8
178.07722	1.7
179.08568	1.7
181.04936	6.0
181.06540	2.1
185.05827	1.4
187.03879	3.3
189.05522	3.6
191.03394	1.4
191.08582	2.1
193.04959	2.8
193.06546	1.2
193.10251	1.0
195.08182	1.1
199.03879	1.2
200.04727	1.0
201.05466	2.9
202.07837	1.3
203.06949	1.1
203.08632	2.0
204.09413	1.0
205.04964	9.4
205.10057	1.3
207.08060	1.4
209.09570	1.4
211.07658	1.4
213.05544	2.0
215.03491	1.3
217.04895	9.8
217.10097	1.2
218.07341	1.1
221.09500	1.6
227.03525	1.0
227.07056	1.0
229.04936	5.0
229.10135	1.6
233.04315	1.1
233.09590	1.9
235.05809	1.7
237.05417	0.9
239.06932	1.4
241.04964	2.5
243.06538	1.5
245.09608	1.6
247.06053	3.3
249.09102	4.5
255.06392	1.3
257.04510	1.1
259.06036	3.8
261.09052	1.9
263.06973	2.2
263.10800	1.2
265.08606	3.4
271.05927	5.4
271.09647	3.0
275.10669	2.0
277.08597	5.3
283.06015	2.5
283.09671	7.8
285.09109	1.6
289.08536	2.7
291.06876	2.1
291.10147	3.5
295.09573	7.5
301.07336	1.0
301.10767	3.0
303.10095	3.0
307.09610	5.0
311.09079	1.6
313.07321	1.7
313.10730	11.2
315.10162	2.7
315.42584	1.0
317.08179	1.3
319.09604	5.6
321.11310	2.4
325.10699	13.3
327.10269	2.1
331.09534	5.9
333.11191	1.6
337.10675	21.0
343.09656	3.2
344.10403	1.2
345.11160	2.0
349.10687	19.6
355.09570	1.5
357.11200	2.2
361.10651	8.6
363.12195	1.6
365.10178	1.4
367.11734	22.6
369.11328	2.1
373.10568	7.6
375.12314	1.3
377.10138	1.4
379.11731	25.4
385.10580	1.6
387.11795	1.3
391.11722	25.7
392.11935	1.0
397.13037	8.9
403.11707	18.7
409.12875	10.6
415.13950	25.1
421.12930	1.3
427.13940	7.4
433.12796	16.5
445.13043	8.8
451.13751	9.7
457.12857	4.0
463.13858	11.0
469.14801	5.9
475.13904	4.9
481.14886	15.6
493.14578	6.0
511.15820	6.8
529.17010	4.5
547.17889	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	583.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.4
55.01869	3.1
57.03423	1.4
61.02925	1.6
65.03949	3.1
68.99809	1.4
69.03426	3.5
69.80741	3.3
79.05489	1.8
80.34151	1.0
81.03426	2.1
83.04967	1.1
85.02897	14.5
91.05476	77.3
97.02296	1.2
97.02894	3.9
101.86558	1.1
103.05475	2.0
105.07027	100.0
106.07372	1.4
109.02872	5.7
110.27128	1.1
115.05452	9.6
119.04917	1.1
121.02901	1.8
123.04436	2.6
127.03954	3.4
129.07002	3.0
131.04956	1.3
133.06456	10.2
135.22821	1.2
139.03894	13.1
141.07010	1.2
147.04372	2.0
149.02431	1.3
151.03917	11.0
155.04851	1.4
157.06476	11.3
163.03926	2.9
165.05507	1.3
167.08560	1.8
169.05040	1.6
175.03984	1.5
179.91762	1.2
181.04930	1.3
193.05028	3.7
205.04915	7.3
209.09683	2.2
217.04993	2.3
217.15454	1.0
223.07684	1.5
223.67517	1.2
235.05971	2.4
237.09090	2.1
251.10843	1.3
253.08528	6.2
259.09674	10.5
265.08621	3.7
271.09644	18.3
277.08545	2.1
279.10291	1.6
283.09613	22.6
295.09805	1.8
301.03629	1.2
301.07291	1.4
301.10678	33.2
303.10239	2.1
307.09659	2.7
310.86288	1.0
313.10559	1.2
319.09634	6.0
325.10678	38.4
325.14578	2.0
326.10876	1.5
331.09665	3.6
337.10669	25.2
349.10672	13.9
355.11755	3.5
367.11771	16.7
379.11588	3.1
385.12833	11.5
391.11862	2.6
397.12469	1.8
403.14099	12.5
409.12845	1.5
415.13867	2.4
421.14948	2.4
427.13620	1.3
433.12582	1.7
481.15057	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	583.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80334	0.2
55.68621	0.2
60.05645	0.3
68.05033	0.7
70.06591	100.0
71.06924	1.2
72.08140	0.3
85.07689	0.6
91.05492	0.5
95.06100	0.5
97.07652	0.3
103.05476	1.9
105.07035	0.4
112.08727	28.1
113.09082	0.4
115.05415	0.2
117.05771	0.5
124.08755	0.4
126.10265	0.7
127.50267	0.2
130.06528	12.3
131.04924	5.2
132.05266	0.9
140.04947	0.6
145.56641	0.3
151.09798	2.6
156.06831	3.2
157.07610	60.9
158.08112	1.2
158.91576	0.3
168.02922	0.8
178.01279	0.5
180.17467	0.3
182.07100	0.3
184.08675	1.1
192.08084	0.3
193.07620	0.4
195.08806	2.1
199.09799	4.5
208.02402	0.9
209.10706	0.6
221.07066	0.4
223.02390	0.6
224.02693	0.5
225.03003	0.3
226.13344	1.4
227.03444	0.2
251.12827	1.6
268.15546	12.3
269.16122	0.3
270.07620	0.3
271.05975	0.5
272.09079	0.6
280.06009	0.2
282.07675	0.8
289.05936	0.8
294.07477	0.3
300.02054	0.4
305.05402	0.6
307.07172	0.4
312.14542	4.5
328.01938	0.2
382.17029	0.3
383.17142	0.7
397.11783	1.1
411.13379	1.4
428.16052	21.9
429.16580	1.4
432.07913	0.8
433.08408	1.3
438.14569	0.5
457.23514	0.3
480.09256	0.6
511.26749	0.3
522.22095	0.3
583.13489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
53.05558	0.8
55.01874	3.8
55.05507	5.1
57.03443	2.1
57.07082	1.5
57.14144	1.1
61.02917	1.3
62.86948	0.9
63.54887	1.0
67.05507	9.6
68.99788	1.1
69.03423	15.5
69.07068	4.6
69.17256	6.3
70.06584	1.6
71.04995	3.1
73.02921	2.6
79.05482	4.9
81.03416	12.8
81.07049	8.4
83.04983	3.2
83.08618	4.4
85.02905	23.9
86.09702	0.9
87.00823	11.7
87.04471	18.6
88.04799	3.6
89.06065	0.9
91.03983	1.4
91.05464	5.9
93.07035	11.7
95.04974	2.7
95.08601	17.5
95.09220	1.2
97.02899	10.2
97.06516	1.8
97.68372	0.9
98.23563	1.9
99.04465	5.0
100.11282	1.7
105.01877	5.8
105.07022	7.8
107.08607	11.9
109.02875	13.5
109.06572	1.8
109.10141	12.7
111.04459	9.2
111.08111	1.8
117.01855	2.2
117.06998	2.2
119.08569	27.4
120.08971	2.0
121.02953	1.0
121.06519	3.6
121.10136	8.3
123.08077	3.6
123.11703	8.7
127.01566	2.2
127.03910	20.9
127.04753	1.8
129.01892	0.9
129.07002	2.3
131.07050	1.1
131.08563	4.2
133.06519	1.4
133.10129	11.3
135.08051	5.3
135.11670	3.0
137.05959	1.9
137.09641	7.1
139.07539	3.6
141.07053	1.5
143.08572	3.9
144.09264	1.1
145.04970	5.8
145.10106	8.3
147.02927	1.2
147.04449	1.1
147.08043	2.7
147.11632	5.3
149.09634	3.3
149.13260	6.8
151.07465	1.3
151.11182	4.9
153.03098	2.2
153.09158	1.2
155.08580	2.1
157.10104	7.3
159.02910	5.9
159.08040	1.3
159.11687	9.7
161.09659	3.0
161.13255	6.1
163.11223	4.1
163.14891	1.5
165.09131	1.4
167.07224	1.3
169.10162	4.0
171.11681	4.7
173.09674	3.0
173.13243	5.8
175.11221	1.8
175.14815	2.6
177.12740	7.3
179.14365	2.1
183.11629	5.5
185.13240	5.5
187.11249	2.9
187.14787	4.6
189.12733	2.5
193.08374	1.1
197.05780	1.3
197.13255	6.4
197.35880	1.0
199.11259	1.3
199.14667	2.3
201.12714	2.4
201.16342	2.9
203.14380	3.1
205.12140	1.8
205.15764	2.3
207.17397	1.5
211.14827	3.2
215.14371	2.1
217.12210	2.0
221.15388	1.5
225.16367	1.4
229.12297	3.0
229.15904	1.7
229.19472	1.1
231.05029	2.6
235.13142	2.1
239.14404	1.4
239.17984	3.3
243.13895	3.0
243.21024	1.8
247.13356	2.7
253.19481	5.4
257.15408	1.3
257.18985	2.6
259.20853	1.0
271.20605	8.4
281.19028	5.4
289.21637	6.1
299.20071	26.3
300.20471	4.9
317.21085	67.1
318.21603	2.4
335.22150	100.0
336.22543	3.3
565.26331	2.0
566.25989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01865	2.8
55.05497	5.2
55.89120	1.1
57.03422	2.2
59.04986	1.2
61.02913	3.0
65.04337	0.9
65.62152	1.2
67.05504	10.3
68.99776	2.3
69.03427	14.1
69.07079	6.3
70.06588	1.5
71.04977	3.1
71.08594	1.3
73.02899	3.2
79.05476	4.6
81.03413	14.6
81.07046	10.9
83.04969	2.6
83.08601	3.3
85.02903	28.3
85.06556	1.1
87.00827	10.0
87.03970	1.8
87.04468	22.5
88.04775	2.5
89.06011	1.2
91.05478	4.4
93.07037	10.4
95.04945	4.0
95.08608	19.5
97.02876	13.0
97.06511	2.3
99.04472	6.4
105.01851	6.8
105.07024	9.7
107.08601	11.1
109.02878	13.2
109.06496	2.2
109.10165	11.8
111.04425	9.3
111.08037	2.4
116.61506	1.2
117.01833	1.7
119.08575	26.1
120.08885	2.7
121.02837	1.5
121.06504	3.5
121.10145	9.6
123.08068	3.1
123.11720	7.4
127.01552	2.5
127.03903	20.8
128.06238	1.2
129.01836	1.4
129.07036	1.6
131.08563	5.1
133.10130	9.1
135.07993	6.3
135.11684	3.6
137.05977	2.7
137.09622	9.3
139.01537	1.6
139.07524	4.0
141.06924	1.4
143.08560	2.8
145.04953	6.6
145.06419	1.3
145.10114	8.4
147.07999	2.1
147.11719	6.4
149.09608	2.9
149.13277	9.2
151.04008	1.4
151.11172	4.3
153.03110	3.3
155.08510	1.7
156.09196	1.1
157.10124	7.0
159.02838	8.1
159.08028	1.7
159.11719	10.0
161.09630	2.7
161.13274	6.5
163.11140	4.0
163.14705	1.9
165.09103	1.5
165.12874	1.5
167.06979	2.0
169.10103	3.4
170.10852	1.8
171.11743	7.6
173.09601	2.6
173.13199	6.5
175.11176	1.8
175.14882	1.7
177.12737	7.3
179.14235	2.5
183.11639	5.8
185.09732	1.4
185.13225	3.3
187.07469	1.9
187.11197	3.7
187.14803	4.7
189.12756	2.3
191.14349	1.5
193.08534	2.2
197.13205	5.0
199.14793	2.3
201.12737	3.1
201.16335	3.2
203.14267	1.5
205.15892	3.1
207.17430	2.5
209.98756	1.3
211.14804	2.8
215.14294	2.0
217.12317	1.7
219.13808	1.8
221.15407	2.1
225.12796	1.3
229.12178	2.7
229.15819	1.4
229.19475	2.0
231.04958	4.9
231.13762	1.4
235.13254	2.1
239.17931	3.6
243.13658	2.8
243.21091	1.3
247.13214	1.7
253.19612	7.2
257.15164	1.5
257.19128	3.1
261.14844	1.8
271.17728	1.6
271.20505	8.1
275.19904	1.6
281.18951	6.4
289.21606	7.0
299.20044	24.8
300.20349	4.9
317.21106	71.5
318.21313	3.0
335.22141	100.0
336.22461	2.9
565.25800	1.9
583.26685	1.4
597.69250	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	583.29
Annotation	Aralionine A
Peak:m/z	Relative Intensity
54.55502	3.2
54.83005	3.1
55.05503	7.6
57.07071	6.7
60.05621	4.0
61.98113	3.4
65.03935	3.9
65.48587	3.3
67.05496	25.0
68.13901	4.0
68.99789	8.1
69.07064	12.7
69.45551	5.7
69.45943	9.7
70.06586	4.9
71.04998	4.6
79.05470	9.2
81.03429	3.9
81.07053	9.8
83.01321	17.4
89.46433	3.5
91.05486	10.5
93.07029	9.5
95.04981	5.9
95.08607	15.3
97.02837	3.3
103.05471	17.7
105.03382	4.7
105.07008	6.4
109.02788	4.4
109.10164	15.3
119.08595	7.1
121.10101	4.6
131.03375	4.3
131.04904	58.4
137.09601	6.5
153.01749	5.9
155.03447	3.7
155.10747	4.0
165.01872	6.4
169.01335	15.1
173.11768	4.2
175.03821	4.2
179.03439	6.4
181.01305	90.6
183.02881	8.7
195.02852	17.7
199.02351	100.0
203.03426	3.8
207.02956	10.3
210.84618	4.1
213.00233	4.2
219.02948	7.8
235.02426	12.9
237.03937	10.1
263.09134	84.2
263.11807	6.1
264.15771	3.5
273.07611	8.8
275.09003	7.3
275.20230	5.9
277.10571	4.1
279.12201	4.6
281.10196	10.1
285.07578	26.0
288.01193	3.1
293.21164	6.2
301.57974	3.8
341.01282	4.9
367.15408	73.0
379.15491	9.1
383.18546	4.4
409.16479	4.3
425.19116	5.8
443.20480	16.3
461.21671	29.4
547.27057	21.5
565.13092	11.9
565.27899	67.9
583.28046	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2901
Annotation	Taxuspinanane H
Peak:m/z	Relative Intensity
53.00620	1.6
55.01867	2.9
55.05507	14.0
57.03434	1.5
57.07062	1.5
59.05001	2.0
65.03938	1.5
67.05501	35.8
68.99781	6.3
69.03427	2.2
69.07070	12.6
69.50084	4.9
71.04984	1.9
71.08623	6.8
79.05473	9.0
81.03417	3.8
81.07061	11.5
83.04974	5.1
83.08604	5.8
85.02869	1.5
88.67258	1.4
91.05476	8.4
93.07041	9.1
95.04974	8.8
95.08592	11.2
96.37959	1.3
97.06514	1.4
97.10166	4.3
99.08089	3.2
99.36677	1.3
103.05460	24.6
105.03379	1.6
105.07024	5.1
107.04889	1.4
107.08588	5.0
109.06546	1.6
109.10161	16.6
117.06982	2.0
119.08572	3.8
121.10155	3.4
123.00792	3.1
123.08051	1.6
125.09576	1.9
131.04922	100.0
131.08562	1.8
132.05251	2.4
133.10132	2.6
137.09575	3.3
139.00241	1.8
139.11172	5.9
149.09619	1.6
151.00247	2.7
151.11180	17.0
155.10681	1.9
163.11269	2.7
165.12677	2.2
168.99881	2.6
169.01318	41.3
173.11739	4.7
173.13094	1.3
177.12704	2.9
185.00835	6.0
187.02443	3.8
190.43823	1.4
193.01340	2.3
199.02379	2.8
203.03354	1.5
211.02296	2.1
223.02371	5.5
247.20543	2.4
263.09113	5.6
271.05991	4.4
273.07574	26.5
275.20056	6.5
293.21085	24.9
367.15314	5.5
443.20523	6.1
461.21661	36.0
462.21985	2.2
479.22659	3.4
523.27228	1.4
547.26984	6.8
565.27948	47.5
566.28125	2.7
583.29193	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.05509	16.3
57.07078	12.7
59.05009	5.5
65.03922	3.5
67.05505	23.6
69.03438	3.7
69.07074	13.9
70.00072	8.3
71.08640	3.5
77.03919	3.8
79.05482	21.6
81.07060	25.7
83.04958	7.5
83.08648	6.1
85.06545	3.1
87.04449	3.8
89.06040	12.0
91.05480	45.7
93.07041	44.6
95.04961	15.7
95.08617	28.2
97.06522	5.6
103.05433	8.0
104.87865	3.4
105.04504	4.4
105.07032	100.0
106.07340	3.4
106.36181	3.1
107.08601	41.2
109.06532	8.7
109.10172	13.1
115.05461	5.7
116.06245	4.9
117.07043	17.2
119.08585	67.9
119.98161	3.2
121.06503	4.8
121.10135	32.8
123.08075	11.3
123.11700	7.9
128.06219	12.1
129.07002	19.2
130.07793	6.0
131.08565	31.8
133.08620	5.3
133.10123	34.9
135.08080	7.4
135.11729	12.2
137.09657	9.4
141.06999	11.4
142.07761	25.4
143.08548	34.0
144.09338	8.9
145.10130	46.0
147.08066	13.2
147.11731	13.6
149.09618	4.9
151.07542	7.6
155.08574	17.5
156.09366	13.5
157.10103	42.8
158.10860	5.4
159.08090	5.0
159.11690	19.6
161.09647	3.6
161.13257	4.8
163.11127	3.8
165.07115	4.4
165.09068	16.4
166.07802	4.5
167.08575	12.7
167.10706	8.4
168.09326	8.8
169.10091	19.8
170.10867	10.8
171.11688	27.4
173.13205	17.7
175.14862	4.8
178.07896	4.0
179.08582	13.7
180.09383	9.6
181.10068	16.1
182.10960	6.2
183.11719	19.0
184.12430	5.3
185.13194	15.6
187.14862	3.9
191.14330	6.8
192.09363	4.3
193.10156	12.6
194.10884	14.7
195.11684	22.7
196.12383	6.0
197.13306	14.6
199.14830	17.3
203.14352	5.4
205.10103	5.1
206.10902	6.5
207.11734	18.5
208.12471	7.5
209.13287	22.3
210.14032	4.0
211.14862	8.1
213.16577	3.4
217.15878	6.3
219.11687	7.9
221.13309	10.1
221.15408	28.9
223.14822	10.1
225.16360	5.1
230.10754	5.2
232.12512	4.4
233.13280	7.3
233.15363	5.5
234.13908	7.6
235.14777	7.7
237.16608	5.5
244.12433	4.3
245.13188	7.8
246.14101	4.0
247.14804	5.8
249.16542	7.9
251.17940	4.4
257.13184	4.4
257.19113	5.0
258.14111	4.4
259.14841	4.3
261.16394	6.6
263.17957	7.2
265.19516	6.7
269.13217	3.9
275.17905	6.3
283.15042	3.6
283.20587	11.2
289.19513	5.4
319.20490	4.3
331.24313	4.6
349.25339	5.4
375.26797	4.2
491.34763	3.9
565.40118	10.0
583.41388	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
51.13066	0.9
53.03936	1.3
55.01857	1.0
55.05510	9.7
55.14207	0.9
57.07067	7.0
59.04993	3.4
63.52426	0.9
65.03930	3.1
67.05496	13.3
69.03418	5.1
69.07065	12.0
69.86958	2.8
71.04984	1.0
71.08606	0.9
73.06566	1.0
77.03927	1.8
79.05485	20.1
81.07047	17.5
83.04970	3.8
83.08605	6.2
85.06550	2.8
87.04452	2.6
89.06025	4.0
91.05469	29.7
93.07035	33.9
95.04966	9.9
95.07998	1.9
95.08592	19.0
97.06527	4.1
103.05453	5.8
104.27228	0.8
105.04515	2.8
105.07018	100.0
106.07349	3.8
107.07843	1.3
107.08584	25.9
108.99586	0.9
109.06522	5.9
109.10144	12.2
111.08074	1.8
111.11689	1.3
115.05470	3.7
116.06227	1.4
117.07006	10.4
119.06056	1.0
119.08566	47.1
121.06498	3.8
121.10133	32.5
123.08067	7.0
123.11697	3.2
125.06004	1.2
125.09582	2.3
127.01566	3.6
128.06206	8.0
129.06995	10.5
130.07773	5.1
131.08557	21.0
132.58640	0.9
133.06512	1.8
133.08606	2.1
133.10107	23.4
135.08058	5.1
135.11687	7.3
137.09607	3.8
139.01552	1.0
139.11177	1.8
141.06946	5.9
142.07764	12.7
143.08548	22.1
143.09618	1.4
144.09361	4.1
145.06470	1.1
145.10110	27.4
145.11218	1.8
146.10687	0.9
147.08025	6.4
147.11673	8.9
149.09592	6.7
149.13301	2.4
151.07559	3.4
151.11150	1.8
153.03110	4.0
153.07001	2.8
154.07788	3.8
155.08556	9.0
156.09340	12.3
157.10109	30.2
158.10915	4.9
159.08041	2.8
159.11667	16.2
159.12926	1.0
161.09631	3.6
161.13287	3.5
163.11128	4.1
165.06996	4.6
165.09116	7.0
166.07755	2.5
167.08574	6.4
167.10657	25.6
167.11996	1.7
168.09334	4.4
169.10107	16.1
170.10899	5.5
171.11674	16.2
172.12473	1.3
173.09615	2.0
173.13245	12.9
175.11201	2.3
175.14786	6.5
178.07849	1.2
179.08536	8.3
180.09309	3.5
181.10101	9.1
181.12267	2.8
182.10857	6.0
182.68718	1.0
183.11659	14.8
184.12498	3.6
185.09601	1.1
185.13211	8.9
187.11145	1.1
187.14841	3.8
189.12798	2.6
191.14252	5.9
192.09349	3.1
193.10124	8.2
194.10849	6.3
195.11665	11.1
196.12447	2.8
197.13223	10.3
198.14000	1.2
199.14821	6.4
201.12714	1.8
201.16438	3.2
203.14268	4.1
205.10194	2.8
206.10948	3.4
207.11685	10.5
207.13672	1.5
208.12424	4.2
209.09734	0.9
209.13274	13.5
209.15216	1.5
210.14032	3.0
211.14798	5.3
213.12753	1.2
213.16362	1.8
215.14357	2.0
217.10118	2.1
217.15849	4.6
218.10933	1.2
219.11632	4.3
219.13638	1.0
219.17506	1.3
220.12509	2.8
221.13258	7.6
221.15401	16.9
222.13922	2.1
223.11415	1.4
223.14824	6.3
224.15630	1.6
225.12764	3.0
225.16423	3.7
227.14314	1.7
229.10184	0.9
229.15860	1.4
230.10841	1.9
231.11690	3.8
231.17415	1.1
232.12485	3.1
233.13252	5.2
233.15425	7.3
234.13945	1.7
235.14775	6.2
235.16837	0.9
236.15474	1.5
237.16385	3.4
239.17937	2.5
243.11842	1.5
244.12538	1.7
245.13257	4.2
246.14101	2.9
247.14828	3.7
247.17082	1.3
249.16415	5.7
250.16756	0.9
251.14290	2.9
251.18030	2.4
255.17470	2.1
257.13382	1.8
257.19040	3.6
258.13928	1.8
259.14862	3.2
260.15573	3.2
261.13870	0.8
261.16226	4.9
262.17130	1.0
263.18015	2.6
265.19559	2.9
267.17554	0.9
269.19022	2.3
271.14661	1.2
273.16287	2.3
275.17969	3.5
277.19400	1.9
279.20944	1.2
281.13379	0.9
281.19104	1.8
283.20563	7.5
285.18701	1.6
287.17542	1.9
287.20502	1.3
289.19492	2.7
291.17590	1.0
293.18982	1.4
295.14545	0.9
295.20557	1.9
301.19400	1.7
303.21042	1.3
307.20511	1.4
309.16614	1.1
311.20123	1.1
315.21390	1.5
329.19012	2.1
331.20560	1.2
331.24265	3.5
343.24326	1.6
347.23560	1.1
349.25403	3.1
357.25830	1.3
361.25296	1.5
365.24661	1.1
375.26758	2.1
403.30191	1.2
479.38629	1.0
491.35126	2.7
503.35510	1.5
547.39771	1.7
565.40137	8.1
583.41400	34.7
584.41962	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.5
53.03938	1.3
54.22420	1.0
55.05510	9.4
57.07067	5.4
57.10649	1.0
59.04988	3.0
65.03921	3.9
67.05506	9.6
69.03407	2.8
69.07064	7.9
77.03922	1.4
79.05501	16.3
81.07056	12.2
83.04964	3.5
83.08608	3.3
84.14039	1.1
85.06550	2.1
87.04456	1.5
89.06018	4.9
91.05469	23.5
93.07038	25.3
95.04945	8.1
95.08594	13.6
97.06517	3.0
103.05453	4.7
105.04536	2.5
105.07022	100.0
106.07353	4.0
107.08589	17.5
109.06506	3.8
109.10172	6.7
115.05450	2.0
116.06203	1.2
117.07007	10.0
119.06033	1.3
119.08565	33.3
121.06516	6.4
121.10136	16.7
123.08071	6.8
123.11723	2.8
125.06039	1.3
125.09570	1.2
127.01544	3.4
128.06244	7.1
129.06978	8.8
130.07774	3.3
131.08554	16.9
133.08565	3.1
133.10121	17.5
135.08028	4.0
135.11668	4.5
137.09630	2.1
141.06961	3.5
142.07791	12.1
143.08559	17.1
144.09328	2.2
145.10124	19.4
147.08014	7.1
147.11694	5.7
149.09589	3.7
151.07544	5.3
153.03105	2.6
153.06915	2.1
155.06143	1.3
155.08539	8.0
156.09346	8.6
157.10115	23.5
158.10869	4.1
159.08075	1.5
159.11685	10.9
161.09627	1.4
161.13268	2.4
163.11180	3.0
165.06979	5.1
165.09108	11.0
166.07733	2.0
167.08633	5.1
167.10739	5.8
168.09325	4.8
169.10100	13.2
170.10866	4.1
171.11693	12.5
173.09532	2.1
173.13251	8.8
175.11131	2.0
175.14824	3.2
179.08559	7.6
180.09366	4.2
181.10098	8.8
181.12183	2.6
182.10898	3.7
183.11655	12.5
184.12389	2.2
185.13246	7.0
187.11209	1.6
187.14780	2.4
189.12740	2.0
191.08650	1.5
191.14282	4.5
192.09326	2.7
193.10120	9.1
194.10858	5.9
195.11682	10.0
196.12477	2.2
196.35573	1.2
197.09610	1.1
197.13235	8.0
199.14815	7.6
201.12706	1.7
203.14264	4.0
205.10114	2.3
206.10834	4.1
207.11694	6.7
207.13715	2.1
208.12399	4.0
209.13228	14.4
210.13934	1.3
211.14816	3.3
213.12688	2.5
213.16362	1.3
217.10095	1.7
217.15846	5.1
219.11670	3.9
220.12405	2.3
221.13239	7.4
221.15353	17.3
222.13934	2.5
223.14789	6.8
225.12703	1.6
225.16315	1.5
227.14311	1.6
231.11661	4.4
232.12384	1.3
233.13219	5.0
233.15369	2.3
234.13969	2.3
235.14793	6.1
236.15526	1.3
237.16420	4.4
239.14307	1.4
239.17964	1.6
241.19458	1.1
243.11703	2.7
245.13155	4.0
246.14069	2.2
247.14790	4.0
249.16368	4.4
251.14273	2.2
251.17905	1.8
257.19077	3.1
259.14725	3.1
260.15622	3.0
261.16327	4.0
262.17062	1.3
263.17841	2.1
265.19519	2.9
269.18799	1.6
271.15323	8.7
271.20395	1.9
272.15433	1.4
273.16168	2.8
275.17908	5.5
277.19427	2.9
283.20514	8.2
287.20184	1.5
299.17892	1.5
301.19308	1.4
331.24222	3.2
335.23676	1.4
349.25153	3.4
375.21680	2.2
375.26672	2.2
403.29626	2.0
436.31039	1.1
491.35214	1.4
565.40533	5.7
583.41351	27.2
584.41522	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.6
53.03939	3.0
55.05502	13.7
57.07070	9.7
59.05005	5.6
65.03939	3.3
67.05497	19.6
69.03423	4.8
69.07059	16.0
69.34327	8.0
79.05484	22.6
81.07053	27.5
83.04520	1.3
83.04974	9.5
83.08610	8.8
85.06545	5.5
87.04459	2.6
89.06052	2.1
90.56748	1.5
91.05470	43.2
93.07037	45.1
95.04944	16.8
95.08591	29.0
95.09135	2.4
96.28011	1.6
97.06501	3.9
98.22704	2.8
103.05470	3.7
105.04549	2.4
105.07021	100.0
106.07311	2.0
107.08585	44.4
109.06507	8.4
109.10145	19.7
111.08111	3.3
115.05453	6.2
116.06216	3.0
117.07000	14.4
117.13922	1.8
119.08567	78.9
121.06493	3.8
121.10138	40.3
123.08062	10.2
123.11719	4.7
125.05988	4.2
125.09622	2.1
127.01673	1.8
128.06209	10.8
129.06987	16.5
130.07774	6.7
131.08549	27.1
132.09344	1.7
133.06548	2.8
133.07593	2.1
133.10112	32.2
133.11035	2.7
135.08026	8.6
135.11679	14.3
137.09618	8.2
141.06973	8.0
142.07762	21.8
143.08559	40.3
144.09314	6.6
144.58594	1.7
145.10106	48.0
147.08044	15.2
147.11678	11.8
149.09601	7.8
149.13242	4.5
151.07518	11.5
151.11197	2.1
153.03133	2.2
153.06995	6.2
154.07698	3.1
155.08533	16.0
156.09340	18.1
157.10117	48.4
158.10869	9.0
158.23373	1.9
159.08081	5.3
159.11684	22.3
161.09625	4.1
161.13231	7.6
163.11159	6.8
165.07048	7.5
165.09106	21.7
166.07758	3.2
167.08501	10.4
167.10663	14.2
168.09317	9.9
169.10114	30.5
170.10866	8.4
171.11674	32.6
172.12158	1.7
173.09619	3.9
173.13255	23.4
175.11217	3.1
175.14815	8.2
177.12820	2.6
178.07756	1.9
179.08539	16.3
180.09311	6.2
181.10110	17.3
181.12207	5.7
182.10811	7.3
183.11665	25.5
184.12488	7.2
185.13234	16.0
187.11194	2.2
187.14821	3.3
189.12744	4.8
191.08598	2.7
191.14302	7.6
192.09308	4.9
193.10156	14.4
193.11833	1.9
194.10881	12.5
195.11697	21.3
196.12483	5.5
197.13220	20.3
199.11075	2.1
199.14816	15.2
201.12720	3.0
203.14296	11.7
204.09377	2.1
205.10161	4.6
206.10878	9.6
206.88269	1.8
207.11710	21.6
207.13808	5.9
208.12518	8.1
209.13264	28.3
209.15233	2.9
210.14035	5.5
211.11118	2.2
211.14806	10.2
213.12573	1.7
213.16386	3.8
217.10176	2.7
217.15836	10.4
218.10840	4.8
219.11642	8.0
220.12505	4.9
221.13245	17.2
221.15381	39.0
222.13933	3.9
223.14793	17.0
225.12727	2.1
225.16354	7.6
227.14278	2.1
229.10175	3.6
229.12225	2.0
231.11710	7.9
232.12570	4.3
233.13254	11.7
233.15326	3.3
234.13965	3.3
235.14783	13.1
236.15501	4.9
237.12798	2.2
237.16393	7.8
239.17982	3.9
244.12378	2.5
245.13310	11.3
246.14063	6.6
247.14774	10.7
247.16997	2.5
248.15446	1.8
249.16299	10.3
251.14360	3.6
251.17995	6.9
253.19585	2.0
255.17461	2.2
257.13358	2.1
257.19009	5.7
259.14648	7.7
260.15594	5.2
261.16376	8.8
263.17987	7.7
265.19479	7.3
269.18970	4.3
271.14648	2.8
273.16324	4.7
274.17053	3.3
274.80609	1.6
275.17859	12.0
276.18588	2.5
277.19449	3.2
281.18988	3.2
283.20508	16.9
285.16125	2.3
287.20496	2.5
289.19373	3.6
290.20218	2.4
291.20792	1.8
295.20624	2.0
297.22162	3.2
299.17700	2.0
300.20844	2.2
303.21082	2.6
307.20596	2.2
311.17953	1.8
315.20905	2.2
319.20547	1.9
327.20853	2.2
331.24274	6.2
347.23828	1.8
349.25177	5.2
361.25345	3.2
375.26764	4.7
403.30234	4.2
491.34927	5.6
503.35245	2.4
547.39417	2.7
565.40491	10.8
583.41425	51.4
584.41663	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45680	0.7
53.03954	0.8
55.05506	5.4
56.84217	0.8
57.07070	8.1
58.70557	0.8
58.70858	0.9
59.05000	3.5
65.03954	1.2
67.05505	10.0
69.03414	4.0
69.07058	5.0
70.55150	0.9
70.55491	1.4
71.05025	0.9
71.08633	2.3
73.02901	0.9
73.06559	2.0
77.03928	1.3
79.05495	13.3
80.77285	0.7
81.03413	1.6
81.07056	15.1
82.74308	0.7
83.04978	1.6
83.08596	4.3
85.06547	3.5
85.10189	1.1
86.13430	0.8
87.04453	2.8
89.06030	9.4
91.05478	17.3
93.07043	28.4
95.04958	7.7
95.08604	24.8
97.06541	2.0
98.82188	0.8
103.05477	3.3
105.04523	2.3
105.07026	88.5
106.07378	3.8
107.08585	15.3
108.99592	1.5
109.06513	5.3
109.10146	5.9
111.08118	0.9
115.05453	1.5
116.06254	0.8
117.07027	4.5
117.09132	0.9
119.08572	25.4
121.06495	4.3
121.10141	20.5
123.08054	13.8
123.11726	3.7
127.01543	1.8
128.06248	3.4
129.06976	4.2
130.07764	1.4
131.08566	13.5
133.06558	1.7
133.07759	1.0
133.08611	5.9
133.10133	13.7
135.08031	6.5
135.11711	2.7
137.09608	8.5
139.07533	1.0
139.11185	1.2
141.07019	2.2
142.07768	6.6
143.08566	13.6
144.09366	2.9
145.10118	16.8
145.11203	1.0
147.08041	15.0
147.11682	4.4
149.09628	3.7
149.13263	1.1
151.07539	22.5
151.08730	1.4
153.03154	2.8
153.07048	1.5
154.07809	1.5
155.08536	4.9
156.09352	8.9
157.10118	23.7
158.10893	1.6
159.08080	1.4
159.11664	12.1
159.12732	0.9
161.09627	3.4
161.13271	5.4
163.11243	3.7
165.07008	2.2
165.09108	34.1
167.08565	2.3
168.09325	2.7
169.10101	10.7
170.10950	3.8
171.11681	13.1
172.12352	1.0
173.13249	6.9
175.09814	0.8
175.11256	2.1
175.14836	1.9
177.09190	1.4
177.11328	2.2
179.08549	4.2
179.14406	0.9
180.09280	1.3
181.10167	6.2
181.12181	2.1
182.10968	4.3
183.11716	11.1
184.12405	1.5
185.09714	1.1
185.13245	11.7
187.11227	1.5
187.14830	4.2
189.12709	6.0
191.10933	0.9
191.14369	2.5
192.09442	1.9
192.11362	0.8
193.10147	6.0
194.10939	3.6
195.11708	8.8
196.12505	3.1
197.13254	12.3
199.14801	4.9
203.14293	16.6
203.16020	1.3
204.09473	0.7
205.10155	1.5
206.11008	1.9
207.11732	6.9
207.13861	7.5
208.12514	3.4
209.13232	13.4
210.13983	1.7
211.11205	1.2
211.14764	4.9
213.16425	3.1
216.15181	0.9
217.15797	1.2
218.10730	0.8
219.11754	2.2
219.17537	1.7
220.12602	3.1
221.13304	6.3
221.15326	53.8
223.14812	6.2
224.15565	1.9
225.12769	2.1
225.16420	1.9
227.18097	0.9
231.11740	2.0
231.17430	1.9
233.13229	3.3
233.15428	1.4
234.13960	1.8
235.14809	4.9
237.16339	5.2
238.16992	0.9
239.17975	1.8
241.07512	1.8
241.19392	0.9
245.13339	2.0
247.14876	3.8
247.17024	2.0
248.15442	1.0
249.16460	3.0
251.14331	2.6
251.18019	2.3
253.19565	2.1
255.17561	1.4
257.13263	1.6
257.19110	4.0
259.14856	2.8
260.15695	1.4
261.16455	2.3
262.17130	1.5
263.18054	2.8
264.18518	1.0
265.19489	2.4
269.19116	1.6
271.14816	1.3
271.20679	2.1
273.16290	2.0
275.17987	3.1
277.19659	2.7
279.21146	2.6
281.19128	1.9
282.19519	1.0
283.20459	4.8
286.19525	1.3
287.17447	1.0
287.20276	2.5
291.21121	1.6
295.20602	3.8
297.22083	5.6
301.19156	1.3
303.21472	0.9
315.21008	1.1
331.24222	0.9
335.23865	0.9
347.23929	0.8
349.25290	2.0
357.25766	2.3
365.24677	2.0
375.26715	7.0
385.28806	2.3
403.29965	12.1
499.12445	0.9
503.34979	4.4
509.34338	2.5
547.39417	3.4
565.40356	32.9
566.40558	2.7
583.41473	100.0
584.41797	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.8
57.07067	7.0
59.04985	3.6
63.22290	1.5
65.03925	1.9
67.05503	13.5
69.03428	6.6
69.07060	8.1
69.10131	3.4
69.10535	8.2
74.05516	1.5
74.54095	1.5
79.05492	21.0
81.07053	23.6
83.04965	2.5
83.08616	5.1
83.11049	1.4
85.06580	3.9
87.04492	1.7
89.06036	4.8
91.05469	19.4
93.06460	2.4
93.07040	34.8
95.04966	10.6
95.08596	27.1
97.06569	2.2
103.05456	4.7
105.04534	2.6
105.07021	100.0
106.07352	5.5
107.08589	19.2
107.81752	1.6
109.06516	5.4
109.10168	13.1
115.05538	2.9
117.07028	7.3
119.08578	42.4
121.06509	6.1
121.10139	28.6
123.08056	21.9
123.11710	4.1
124.72402	1.5
128.06229	4.1
128.57677	1.5
129.06970	8.6
130.07788	3.0
131.08572	18.7
131.38123	1.8
133.06500	3.2
133.10133	21.1
135.08063	10.0
135.11714	5.8
137.09589	8.6
141.06995	3.1
142.07793	9.8
143.08546	16.5
144.09340	3.6
145.10129	24.9
145.65384	1.8
147.08043	23.8
147.11687	6.0
149.09601	5.0
151.07516	26.3
153.03088	2.3
153.06938	2.1
154.07857	2.1
155.08530	9.8
156.09361	9.2
157.10123	31.3
158.10797	3.6
159.08049	3.9
159.11674	15.0
161.09660	4.8
161.13298	7.0
163.11195	4.9
165.07004	3.1
165.09105	40.0
166.09447	2.0
167.08546	4.8
168.09317	3.7
169.10136	10.7
170.10890	4.7
171.11711	15.7
172.12447	2.0
173.09575	3.9
173.13245	9.9
175.11250	3.8
175.14845	5.6
179.08516	6.2
180.09299	2.3
181.10146	7.4
181.12184	1.9
182.10895	5.6
183.11694	14.2
184.12494	3.2
185.13226	16.0
187.14845	2.9
189.12758	6.7
191.14336	2.8
192.09302	2.9
193.10208	9.1
194.10947	4.7
195.11693	15.6
196.12396	4.2
197.13239	15.3
199.14810	7.1
201.12788	2.1
203.14296	17.4
205.10153	1.9
206.10962	4.7
207.11728	9.9
207.13852	8.7
208.12466	5.1
209.13243	15.7
210.14005	2.6
211.11215	1.9
211.14783	7.4
213.16438	1.8
215.14262	2.8
217.10205	1.7
217.15965	3.2
219.11711	5.1
220.12531	3.9
221.13284	8.7
221.15324	60.7
223.14743	7.7
225.12802	2.8
225.16466	3.2
229.16055	2.2
231.11769	2.4
231.17447	3.9
233.13274	6.2
233.15398	2.1
234.14178	1.9
235.14833	6.6
236.15524	2.5
237.16321	3.8
239.14378	2.1
239.18002	3.0
245.13327	2.6
247.14897	4.4
248.15674	1.9
249.16414	4.9
251.14276	3.4
251.18040	3.7
253.16200	1.8
253.19316	1.9
257.19034	4.3
258.14368	1.6
260.15631	1.8
261.16461	2.4
263.17966	3.1
265.19263	2.2
269.19040	3.4
271.14798	2.3
271.20660	3.3
273.16275	3.8
275.17929	2.8
277.19543	4.0
279.20813	2.5
281.19150	2.1
283.20615	6.4
287.20218	3.3
289.19421	2.0
295.20615	4.8
297.22083	5.9
315.21130	1.8
329.18979	2.2
349.25250	1.9
357.25607	3.8
365.24771	4.1
375.26892	6.7
385.29193	2.5
403.29947	11.0
404.30029	1.8
503.35040	3.7
509.34116	3.7
547.39886	3.7
565.40308	32.1
566.40466	2.5
583.41388	99.9
584.42010	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	584.152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94339	2.7
67.60205	2.3
70.06593	2.7
70.40064	5.5
78.29330	2.3
91.83252	2.3
103.05447	19.4
107.04990	2.9
108.92345	2.1
131.04913	42.8
135.94249	2.6
139.03676	5.6
144.87939	2.6
163.03871	3.2
204.37782	2.6
227.06773	63.4
245.07866	40.2
251.06914	3.1
293.06589	14.2
294.07318	8.6
313.06946	18.0
318.07339	17.0
336.08426	67.6
362.06311	24.8
376.07870	4.3
380.07385	100.0
381.07443	3.8
404.07272	4.4
416.07297	3.0
466.13132	2.5
480.14215	11.3
508.13412	4.8
520.13519	13.7
552.12482	24.7
584.15009	44.7
584.29340	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	584.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
68.99788	4.8
69.03417	1.1
70.06583	0.7
72.48868	0.6
76.93695	0.6
81.03410	2.7
82.06716	0.6
84.04487	0.9
91.05476	1.3
95.01304	4.1
95.04971	2.3
96.04484	1.6
103.05463	26.8
105.03358	1.2
105.04563	0.8
105.07037	2.3
107.05011	0.9
107.55479	0.6
108.04424	1.0
109.02862	1.6
110.02396	19.4
113.02300	0.6
115.05457	1.2
121.02863	1.4
124.03935	1.5
125.70209	0.7
127.61714	0.6
130.64401	0.7
131.04921	100.0
132.05261	2.7
134.79805	0.6
137.02333	9.8
139.00371	0.7
140.03427	1.1
152.03410	6.3
155.03410	9.4
155.04738	1.1
162.01854	1.6
164.63866	0.6
165.01805	8.8
166.04974	0.9
167.02205	1.0
168.02924	8.1
169.01349	1.0
176.03412	1.2
178.01349	11.0
180.02809	0.8
183.02892	9.4
185.03276	0.7
194.04477	9.8
195.08076	1.5
196.02391	7.3
199.03889	4.9
204.03085	0.8
205.06595	0.7
213.05388	1.4
215.07048	5.4
220.02390	18.6
222.03990	1.6
223.07469	2.0
231.06535	0.9
238.03436	2.7
240.06483	0.8
241.05002	8.2
241.08578	7.7
243.06512	1.6
244.02434	0.9
246.04057	0.7
251.07013	10.3
259.06116	2.7
262.03497	1.8
264.06534	1.0
269.08102	12.0
270.08044	0.8
271.08514	1.1
272.02011	0.8
272.09164	10.6
282.07599	16.0
286.03528	0.9
290.02979	1.1
295.05939	2.2
298.10718	8.3
300.01413	1.0
313.06995	0.9
314.02808	1.7
324.08640	29.4
325.09198	1.5
348.08606	1.0
366.09586	1.5
376.08069	3.5
390.09763	0.9
392.07660	2.1
394.09305	1.5
400.07797	0.9
402.06198	0.8
404.07578	2.1
410.08539	2.0
418.09216	7.8
420.07031	2.4
422.08640	1.0
436.10367	3.9
438.08206	2.1
454.11566	1.6
462.08002	4.0
504.14157	1.7
506.12460	1.0
522.15430	7.8
540.16370	1.7
548.13367	1.2
566.14404	2.0
584.15601	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	584.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03453	2.4
60.83915	0.7
68.99765	3.7
70.02946	2.9
70.06571	0.8
70.16202	1.3
70.16516	1.2
83.03735	3.5
91.05477	1.8
95.04960	1.0
98.02380	1.3
103.04770	0.9
103.05457	16.5
105.07032	1.3
110.02386	2.2
111.03183	11.3
126.01872	1.8
131.04918	41.1
132.05220	1.2
135.04227	0.7
138.00830	1.5
138.01854	23.9
139.02594	5.0
140.03416	3.2
150.01901	1.0
152.03426	0.8
154.01331	1.2
156.02866	1.8
163.00264	0.7
164.49370	0.7
165.01860	0.8
166.01353	33.6
166.99785	4.1
167.02129	100.0
168.02911	19.8
169.01314	3.2
169.03366	0.7
173.05968	2.4
176.03421	1.7
178.01364	2.3
179.02013	1.2
179.03453	2.1
180.02924	1.5
184.02388	7.3
185.03181	41.1
188.03394	0.8
190.99770	3.0
192.02928	3.0
193.03595	0.7
197.05992	1.2
202.01361	1.7
204.02879	1.4
207.01611	0.8
209.00801	3.7
211.02374	2.7
213.05577	0.8
214.08618	0.8
216.02898	0.9
218.04349	0.7
220.02470	1.0
225.05446	11.8
225.07628	0.7
227.01781	1.2
228.06567	1.3
229.07347	2.0
242.08107	8.7
244.02457	1.2
246.04060	0.9
255.06512	3.3
264.01526	1.0
269.12875	0.8
270.07590	39.9
271.08374	69.2
272.01987	1.4
272.09122	18.2
272.12079	1.2
273.09439	0.8
282.07767	1.4
288.01263	1.9
290.02789	1.1
295.06006	2.9
296.01962	1.1
305.05768	0.8
306.02533	1.8
312.01410	1.6
313.07104	5.7
314.03009	2.0
315.08554	3.2
317.01648	1.6
340.00931	1.9
358.01547	1.3
379.11462	0.8
388.08362	0.9
392.07623	2.3
403.07214	0.7
410.04626	1.0
412.10303	1.2
416.07730	1.6
418.09299	2.4
420.07166	1.6
421.07660	3.5
436.09952	1.0
438.08411	1.7
444.07135	2.2
454.11130	0.9
462.08176	2.1
470.35809	0.7
480.09274	5.2
510.12137	1.0
520.14282	0.8
522.15521	2.3
524.13440	7.1
525.14050	5.4
548.13556	4.1
552.13293	1.2
566.14563	2.2
584.15503	75.6
585.15662	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	584.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
58.75453	1.0
67.05504	2.0
68.99796	4.6
69.28472	1.2
69.59729	3.9
72.08176	1.6
80.62859	1.2
91.05479	3.1
92.14548	1.2
95.04961	4.2
103.05470	44.4
104.05800	1.5
105.03405	1.5
110.02395	2.7
115.05460	2.7
117.06992	2.6
122.02399	1.2
124.03951	2.8
131.04926	100.0
132.05261	2.0
137.02260	2.4
138.01866	5.0
140.03423	3.5
141.07001	1.9
143.04982	1.6
147.00743	4.0
152.03424	1.4
155.08557	1.2
157.06572	1.3
159.19846	1.1
164.03416	3.0
165.04198	4.1
165.06992	1.7
166.01375	6.4
167.02136	6.2
167.08569	3.2
168.02962	8.6
169.01334	3.5
176.03394	1.3
177.07042	1.5
178.01289	5.9
178.07674	1.9
180.02910	5.7
181.06570	1.5
184.02449	2.1
185.03180	4.9
192.02934	2.8
193.03673	4.1
194.04486	12.1
195.08083	5.7
196.16931	1.6
204.02943	4.5
205.06502	2.8
206.04465	1.6
208.02409	4.6
211.04922	2.6
223.07506	6.5
225.05515	3.5
231.06516	1.5
232.02448	1.6
241.08534	2.0
242.08086	3.2
250.03421	2.1
251.07022	29.7
252.07420	1.5
255.06450	1.2
260.01859	2.6
270.07632	13.2
271.08362	7.9
272.09076	8.6
282.07648	6.3
284.09259	3.3
285.07550	1.6
296.09491	1.6
297.09921	4.6
298.10803	7.4
314.02835	1.5
327.22229	1.4
336.08707	2.7
350.10303	1.6
352.08392	1.7
354.09610	5.1
362.06726	1.3
364.07944	3.4
394.08896	1.8
404.07870	1.5
418.09152	2.7
466.70520	1.3
504.13837	3.2
548.13416	3.4
552.08844	2.0
566.14709	7.2
584.14026	3.8
584.28314	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	584.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73227	0.6
55.49041	0.6
68.99786	0.9
69.18903	3.1
72.40675	0.6
82.69528	0.5
84.54500	0.5
91.05474	1.2
95.04954	0.7
100.68966	0.7
102.59928	0.7
103.05460	14.6
103.06116	1.2
105.03407	0.7
107.04958	1.1
120.04468	1.0
124.03952	1.6
125.09637	0.7
131.04915	35.9
132.04399	0.7
132.05289	1.3
135.04350	0.7
137.69444	0.7
146.02327	1.0
148.03902	1.2
154.36063	0.7
156.04407	0.8
158.86006	0.7
160.03957	0.9
162.01851	0.8
163.03818	1.5
166.01382	1.1
174.01881	3.0
176.03462	0.9
178.01334	1.3
183.02855	0.8
188.03452	1.8
192.02864	5.2
200.03584	0.9
202.01390	2.0
204.02873	1.4
206.06400	0.6
215.00249	0.7
216.02911	3.8
220.02432	2.1
227.06793	5.5
228.02878	12.0
230.04474	0.8
232.02518	0.8
236.07178	0.7
244.02390	5.7
245.07925	2.3
246.04070	2.1
256.02429	2.6
260.05524	0.8
262.03564	1.0
278.08057	0.9
282.07596	0.9
286.03345	3.8
290.08121	1.8
292.00784	1.0
294.07422	1.3
299.89896	0.6
306.07547	0.9
312.01331	9.8
313.06808	2.2
330.02420	7.0
332.09134	4.0
336.08282	3.3
346.06985	0.9
348.08643	1.3
360.08704	1.1
362.06073	0.9
364.11761	1.3
372.08902	0.9
374.06564	2.1
380.07336	6.2
388.07922	1.6
390.09634	0.9
392.07639	1.1
416.07593	21.9
417.08084	1.0
434.08710	11.3
464.09756	1.5
466.12756	1.2
478.12860	1.3
520.13867	100.0
521.14240	5.7
552.16528	15.0
584.17603	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	584.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12933	0.4
56.94284	0.4
68.99673	0.6
69.18163	1.4
69.18571	1.5
75.04329	0.5
91.05334	0.9
95.04781	1.4
98.22603	0.8
103.05255	14.0
103.06022	2.5
105.03234	0.8
105.04362	0.5
107.04809	1.1
115.05307	0.6
120.04270	0.8
124.11072	0.5
125.09494	0.6
129.03198	0.6
131.04692	29.7
131.05771	3.3
132.05144	0.8
135.04269	0.7
146.02119	1.4
146.45882	0.6
148.03773	0.9
150.05296	0.8
160.03697	1.3
162.01645	0.5
163.03685	1.2
164.03246	0.6
165.06941	0.7
167.01958	0.6
172.03694	1.1
174.01863	3.1
176.03291	0.8
178.01208	1.0
184.03688	1.3
186.05327	0.5
188.03174	1.7
192.02910	5.9
200.03181	1.3
201.04100	0.6
202.01402	2.1
204.02812	1.0
216.02893	3.8
218.04245	0.6
220.02478	2.3
220.53636	0.4
228.02930	10.2
229.03372	0.8
236.06897	0.8
240.02567	0.7
242.00726	0.9
244.02434	5.4
246.03754	1.5
248.01857	1.0
250.08290	0.6
256.02493	2.3
260.05246	1.7
262.03104	0.6
264.06326	0.6
270.07214	0.5
272.01764	0.6
274.03210	0.9
284.01779	1.0
286.00186	0.7
286.03384	4.2
288.01236	0.6
290.07880	1.7
292.00714	0.7
312.01355	7.1
329.98813	0.7
330.02441	8.9
332.09116	4.4
333.09937	0.5
346.06744	0.6
348.08459	1.4
360.08469	1.8
364.11874	2.2
372.08218	0.6
374.06592	2.8
375.06747	0.5
388.08054	1.5
390.09616	1.3
392.07614	1.1
408.07101	0.6
416.07632	24.9
417.07809	1.1
434.08649	12.2
448.10184	0.5
478.12686	2.0
520.13898	100.0
521.14355	5.3
552.16547	15.1
584.19177	23.3
584.32965	0.6
585.19373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99790	0.8
70.06597	0.4
77.03884	0.5
80.05015	0.5
83.01350	0.7
89.78806	0.4
91.05506	0.6
95.04998	1.2
98.22710	0.8
103.05467	14.4
105.03404	0.9
105.07050	0.3
115.05451	0.9
120.04472	1.0
122.06066	0.4
124.03942	6.0
129.03368	0.4
131.04921	32.0
132.04390	0.6
132.05307	0.6
136.03937	0.6
138.01869	1.6
140.03429	0.5
144.04535	0.5
146.02365	1.3
148.03943	0.9
153.06989	0.4
160.04015	1.0
162.01855	0.5
164.03423	0.6
166.01404	1.4
167.02113	2.5
168.02950	1.1
171.04463	0.5
172.03964	0.6
173.05934	0.5
174.01910	2.7
176.03467	0.9
178.01379	1.2
180.02971	0.5
181.01357	0.5
184.02419	0.7
184.03903	0.9
185.03233	1.7
188.03386	1.9
192.02911	5.7
194.04544	0.7
199.02393	0.7
199.04048	0.5
200.03479	1.4
201.04199	0.4
202.01369	2.7
204.03006	1.6
208.02417	1.0
212.03488	0.6
214.01440	0.6
216.02875	3.8
218.00911	0.5
218.04526	0.8
220.02441	2.2
220.05869	0.5
223.03941	0.5
225.05447	0.7
227.01950	0.7
228.02902	11.4
229.03682	0.4
234.03931	0.5
236.07065	0.5
240.03009	0.6
240.81226	0.4
242.00858	0.9
244.02400	5.8
246.04010	1.6
248.01836	0.8
250.08682	0.5
256.02426	2.5
258.03979	0.6
260.01920	0.6
260.05515	0.5
262.03653	0.5
270.07642	1.7
271.08377	2.9
272.01794	0.7
272.09262	1.1
278.08188	0.5
284.01913	0.7
286.03519	3.2
288.01437	0.7
290.08157	1.6
312.01370	7.5
313.06915	0.6
313.46866	0.4
318.02509	1.0
330.02420	7.7
332.09152	4.4
336.03458	0.5
348.08755	1.2
360.08597	1.1
364.11902	1.0
372.08820	0.7
374.06604	1.5
388.08057	1.8
390.09793	1.2
392.07669	0.6
409.34384	0.4
416.07632	23.2
417.07941	1.1
422.08868	2.2
434.08682	12.5
448.10049	0.5
450.13345	0.5
454.11356	3.0
478.12946	1.8
494.12640	0.5
520.13898	100.0
521.14026	4.7
552.16534	15.2
553.16589	0.9
584.19824	6.2
584.28619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
54.71476	0.3
65.03924	0.4
67.05511	0.6
69.03419	0.9
69.09143	2.7
77.75113	0.4
85.02927	0.5
89.06048	0.5
97.02885	100.0
98.03215	1.0
114.10339	0.4
121.02879	0.8
129.74976	0.4
132.50967	0.4
135.04416	0.7
137.05963	0.7
151.03902	24.4
151.04999	2.0
152.04225	0.6
163.03925	2.1
177.05450	0.5
181.04951	8.2
191.06866	0.7
199.12740	0.4
203.07022	0.4
216.68381	0.4
219.06541	1.2
247.06004	19.0
248.06412	0.7
265.07043	17.3
283.08020	4.0
313.88336	0.4
445.13199	0.6
567.58032	0.4
584.18695	1.6
584.27118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2757
Annotation	N1,N5,N10-Tricoumaroyl spermidine
Peak:m/z	Relative Intensity
53.09482	0.2
58.06590	0.4
65.03944	2.2
66.04254	0.3
67.05470	0.4
72.08154	5.6
73.02901	0.4
81.03451	0.3
81.07043	0.6
84.08116	0.8
84.77101	0.3
87.04484	0.6
87.57743	0.3
89.06022	0.5
89.49920	0.3
91.05477	8.9
91.18209	0.3
93.03370	0.3
93.07022	0.3
93.17860	0.3
98.23512	0.6
108.02106	0.3
110.03648	1.1
111.04470	0.7
112.04729	0.4
112.11237	2.6
119.04943	21.1
121.02885	0.5
124.03940	0.6
125.05988	1.3
126.06322	0.3
127.03826	0.4
129.13885	1.9
133.06453	0.4
133.08612	0.4
137.05994	0.4
138.05472	0.6
146.16472	0.7
147.04404	100.0
148.04773	1.5
151.03888	1.7
152.04271	0.5
153.05455	3.2
154.05788	0.7
155.11787	1.0
162.47470	0.3
172.14505	0.4
175.07602	0.4
203.11806	3.2
204.10201	43.4
205.10526	0.9
206.06815	0.3
217.13351	1.5
218.11752	5.1
219.12003	0.4
221.12794	0.8
247.09622	0.4
253.08456	0.4
254.09003	0.4
255.09483	0.3
274.19070	0.6
275.17542	8.8
292.20181	7.2
292.23264	0.5
309.30719	0.3
318.18158	1.0
325.10834	1.1
326.11081	1.1
339.12219	0.4
340.12482	0.9
357.13391	0.9
358.13699	1.6
359.14899	0.4
420.22803	20.5
421.21527	1.6
438.23874	52.2
439.24277	2.8
579.61328	0.4
584.27325	1.4
585.29370	1.7
589.04517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2853
Annotation	Dihydroergotamine
Peak:m/z	Relative Intensity
52.01906	0.1
53.03935	0.4
55.05524	0.1
63.74919	0.1
67.05495	0.7
68.05004	0.2
69.07066	0.1
70.18038	0.3
71.04974	0.2
78.03445	1.2
79.04240	0.2
79.05474	0.3
79.11348	0.1
80.05011	5.3
81.07058	0.8
83.04963	0.2
91.05471	0.9
93.07037	0.5
95.04959	0.3
95.08595	0.2
96.04485	3.6
97.02887	0.6
105.07024	0.5
106.02901	0.8
107.08596	0.4
109.06511	0.3
109.10138	0.2
111.04453	0.3
111.08042	0.2
117.07027	0.4
119.08572	3.8
124.03944	100.0
125.04302	1.4
128.06229	0.2
129.07033	0.2
131.08568	0.6
133.10112	0.4
135.08092	0.4
139.07503	0.2
139.75510	0.1
140.03424	0.1
141.05455	0.2
142.07771	0.2
143.08531	0.5
145.10121	0.4
147.08041	0.1
149.09593	0.2
153.08980	0.1
155.07037	1.2
155.08501	0.3
156.07430	0.1
156.09346	0.3
157.10124	1.0
157.64915	0.1
159.08034	0.4
159.11639	1.1
161.09601	0.2
167.08615	0.1
169.10114	1.0
170.10924	0.4
171.11670	0.9
173.13306	0.6
175.11337	0.2
176.21919	0.1
179.08627	0.1
181.10092	0.3
182.10724	0.2
183.11639	0.7
184.12466	0.8
185.13182	0.8
192.09381	0.2
193.10146	0.4
195.11705	0.3
196.12404	0.2
197.13254	1.6
199.14810	0.2
201.12715	0.5
206.10933	0.2
207.11673	0.6
209.13231	0.6
211.14842	0.6
211.18025	0.1
219.11816	0.2
220.12506	1.0
221.13313	0.3
223.14861	0.3
225.16345	0.5
234.14069	0.2
235.14771	1.1
249.16414	0.5
253.15823	0.4
271.16772	0.2
277.15829	0.2
295.17035	0.6
312.16849	0.1
313.17950	1.3
331.18408	0.1
393.09949	0.1
395.60876	0.1
401.22079	0.1
496.23523	0.8
584.28479	27.8
585.28821	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	584.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.05524	0.3
65.24729	0.2
67.05493	0.9
68.99769	0.3
71.04983	0.3
74.95831	0.2
78.03462	0.2
79.05500	0.3
80.05013	4.9
81.07045	0.7
91.05474	0.5
95.04969	0.5
96.04488	3.1
97.02903	0.7
102.15039	0.2
103.05470	2.3
104.05753	0.2
105.07000	0.3
109.04562	0.3
115.05429	0.3
119.08591	1.4
124.03947	100.0
125.04304	1.4
125.09650	0.3
131.04916	4.9
133.10179	0.2
140.03403	0.5
141.05507	0.7
145.10081	0.4
155.07019	0.9
155.08458	0.3
156.09383	0.2
157.10091	0.5
159.11629	0.3
166.01317	0.2
167.02078	0.3
168.02988	0.3
169.10204	0.4
171.11653	0.4
173.13205	0.4
178.01309	0.4
179.08623	0.3
183.11639	0.4
185.03119	0.2
185.13225	0.3
193.10126	0.3
194.04475	0.4
195.11691	0.4
197.13254	1.0
198.55576	0.2
204.02890	0.2
220.12451	0.8
235.14844	0.8
249.16237	0.3
251.07118	0.6
270.07556	0.7
271.05579	0.2
271.08347	0.4
282.07666	0.3
295.16867	0.5
298.10742	0.3
313.17984	2.9
387.06021	0.2
397.63992	0.2
454.22333	0.6
478.11197	1.1
514.24371	1.1
566.14258	0.5
584.14801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2854
Annotation	Dihydroergotamine
Peak:m/z	Relative Intensity
50.01582	1.1
51.02371	1.6
52.64821	0.4
53.03929	0.6
55.05494	1.1
67.05499	7.0
69.03422	1.4
69.07055	1.1
70.31851	0.8
71.04998	2.0
78.03448	22.8
79.05492	2.4
80.05023	2.9
81.07055	4.8
83.04964	1.2
91.05471	3.8
93.07028	3.8
95.04964	3.0
95.08601	2.0
96.04475	5.5
97.02883	4.7
97.06503	0.7
105.07027	4.2
106.02906	49.0
107.03214	0.5
107.08580	2.2
109.06536	1.5
109.10127	1.1
111.04446	2.3
113.05998	0.7
116.06207	0.6
117.07004	1.9
119.06036	0.7
119.08571	13.6
121.06465	0.7
121.10145	2.2
123.04454	0.6
123.08084	0.7
124.03941	66.1
128.06195	0.6
129.06976	0.8
130.07765	1.0
131.08565	3.2
133.06499	0.5
133.10121	4.3
135.08069	0.9
137.05988	0.6
137.09569	1.0
139.07510	0.9
141.05487	2.3
141.06947	1.1
142.07767	2.2
143.08551	3.2
144.09250	0.5
145.10136	4.4
145.32805	0.5
147.08064	0.7
147.11658	1.1
149.09608	1.0
153.06964	0.6
154.07802	0.5
155.07034	4.0
155.08553	2.0
156.09297	2.1
157.10112	5.0
158.10864	1.3
159.08052	1.2
159.11671	3.9
161.09570	1.7
161.13298	0.7
167.08563	0.8
168.09357	1.1
169.10120	6.1
170.10904	2.7
171.11646	5.4
173.09657	1.5
173.13225	5.8
179.08510	0.9
180.09267	0.5
181.10120	1.8
182.10880	1.7
183.11671	4.1
184.12418	2.8
185.13255	3.0
187.11163	1.4
187.14867	0.9
192.09398	0.5
193.10080	2.3
194.10965	0.9
195.11676	3.6
196.12521	1.1
197.13232	9.6
199.14856	0.5
200.71249	0.5
201.12737	2.2
205.10121	0.9
206.10950	1.2
207.11723	2.8
208.12538	0.6
209.13246	2.8
210.13947	0.4
211.11263	0.8
211.14827	3.0
213.12689	0.5
215.14307	1.4
219.11777	0.7
220.12460	6.0
221.13194	2.7
223.14816	1.1
225.16362	2.0
234.13992	1.4
235.14819	9.1
236.15517	0.5
239.17741	0.5
249.16425	1.7
251.14474	0.5
252.14966	0.4
253.15813	2.4
255.13774	0.8
267.17560	0.9
271.16934	0.7
277.15869	1.1
280.14587	1.0
285.18497	0.8
295.16949	1.8
313.17944	12.3
313.21439	0.9
314.18362	0.5
318.13412	1.7
331.18994	1.3
385.50024	0.4
436.20853	1.0
454.22144	1.4
496.23071	3.2
542.27563	0.4
584.28479	100.0
585.28821	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	584.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	6.4
59.11014	0.8
69.07268	5.9
71.04992	1.0
73.02909	2.8
73.06553	2.7
81.52424	0.7
86.09720	1.1
87.04453	12.6
89.06023	100.0
91.05499	0.8
94.07732	0.8
103.07568	6.3
107.07078	1.3
110.22662	0.7
113.00014	5.0
117.09113	1.2
120.08108	3.4
121.02876	2.1
127.00591	1.4
127.01557	44.2
131.07028	4.0
133.08591	53.7
136.07567	7.4
137.05954	1.4
139.01541	18.1
147.10173	3.8
153.03098	51.5
163.07509	1.5
175.09665	2.3
177.11221	17.5
183.04135	6.8
197.05733	24.8
207.06612	0.9
215.06863	0.9
221.13806	2.9
227.06808	3.0
241.08348	5.7
259.09460	2.1
265.16565	0.8
271.09421	3.7
283.14438	1.8
285.11060	2.1
300.09528	0.8
301.21408	1.2
303.12103	2.3
311.13837	1.2
315.11969	1.8
347.14536	1.3
372.10574	0.8
382.17499	2.2
391.17203	0.9
567.27734	8.1
585.06836	1.2
592.08875	0.9
604.76642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.6
55.05501	3.0
67.05499	6.5
67.41115	2.0
69.07069	2.2
79.05488	6.9
81.03391	4.9
81.07043	6.9
83.01077	1.9
83.04956	3.5
91.05482	7.5
93.07034	11.7
95.04951	6.5
95.08598	6.8
97.02869	2.6
98.22660	7.9
105.07014	13.2
107.08591	8.4
109.06501	3.5
111.04436	10.0
117.06961	2.5
119.08556	20.3
121.06491	2.3
121.10130	9.3
127.03889	6.8
127.35804	2.1
128.06241	2.2
129.06975	3.6
131.08565	10.4
133.06491	3.8
133.10089	15.7
134.07254	7.2
137.05956	3.5
142.07712	5.0
143.08560	10.4
144.74368	2.0
145.10144	15.2
147.08029	2.3
147.11694	8.0
149.09602	2.5
151.07533	3.2
155.08540	5.7
156.09326	7.6
157.10106	17.4
158.10832	5.0
159.08022	3.5
159.11760	11.9
159.21729	2.1
161.09618	3.4
165.06949	2.7
167.08517	2.7
168.09415	2.6
169.10162	13.5
170.10889	8.2
171.11655	9.8
172.12555	2.5
173.09628	5.2
173.13248	8.6
179.08588	3.7
181.10086	8.9
182.10838	4.1
183.11661	23.9
185.09586	4.1
185.13232	6.1
187.11186	7.2
187.14737	12.1
188.11981	2.4
192.09328	5.3
193.10094	6.0
194.11003	2.8
195.11676	9.7
196.12558	3.9
197.13223	14.7
198.14017	19.1
199.14801	5.2
201.09000	4.1
201.12778	5.5
203.14346	8.4
206.10928	3.1
207.11685	9.4
208.12477	2.6
209.13225	8.6
211.11243	5.0
211.14877	8.2
213.16315	3.4
215.10654	3.6
215.14352	4.6
216.15094	3.3
219.11775	3.4
220.12445	5.5
221.13258	6.9
223.14705	5.5
225.12726	3.7
225.16356	4.8
229.87991	2.2
231.10216	2.7
234.13991	6.5
235.11162	4.0
235.14748	6.7
238.13564	2.5
239.10641	3.5
239.14267	2.6
239.17929	3.5
241.12286	2.7
249.16350	15.6
251.17888	3.9
253.12177	6.5
253.15903	6.6
267.17435	10.1
269.15390	2.6
269.18896	3.2
271.16922	6.7
277.15802	8.9
285.18472	8.8
295.16891	68.1
296.17282	3.4
313.17963	100.0
331.19080	12.3
355.18948	12.9
465.29388	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	584.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96433	1.2
53.03930	1.2
55.01875	1.7
55.05512	10.6
57.03440	5.6
58.06601	4.4
59.05001	3.3
65.03952	2.0
67.05507	38.0
69.07072	2.7
69.50276	3.8
70.06593	18.6
71.04997	1.5
72.08159	40.9
74.02452	2.9
76.07641	12.2
78.28882	0.8
79.05497	34.9
79.05954	2.0
81.07066	12.7
81.99305	0.9
82.06596	1.7
83.04985	23.3
84.08144	1.2
90.16946	1.1
91.05482	5.3
93.07075	0.9
95.04986	3.8
95.08607	1.9
100.07625	1.1
102.05564	2.8
105.07044	2.9
107.08596	31.5
108.08134	1.3
109.06532	1.1
109.10179	1.4
110.09649	5.0
121.02793	1.0
124.11236	100.0
125.09634	73.9
126.09992	1.4
131.04953	3.3
142.12288	1.0
151.03909	1.4
152.10738	3.8
163.50087	0.9
168.02957	1.0
170.11763	9.3
170.12798	0.8
177.36375	1.0
178.15952	2.0
180.02856	5.8
180.17468	7.4
185.03264	1.2
196.16972	95.9
197.17383	1.4
220.06079	7.5
222.07646	24.0
240.08746	2.6
241.31436	0.9
242.17633	2.7
256.03531	1.1
259.20114	6.4
284.09357	1.3
313.24838	19.0
313.28189	1.1
324.12280	1.9
326.13870	39.5
334.08295	1.6
343.16589	11.1
395.19736	1.8
467.25421	27.2
522.45520	0.9
548.14911	2.7
584.33344	50.1
585.33844	2.4
609.49512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03952	0.6
54.68555	0.3
55.36164	0.3
57.07063	1.4
59.05000	1.4
65.40511	0.3
67.05495	0.5
68.03917	0.3
73.02917	11.2
77.03935	0.5
79.05492	6.6
81.07059	0.5
87.04457	0.9
89.06034	2.9
91.05474	1.6
93.07018	1.0
95.04964	2.5
95.08574	0.5
100.10262	0.3
103.05469	4.2
105.04520	1.2
105.07025	100.0
106.07361	3.4
107.08699	0.3
111.03721	0.3
117.05504	1.3
117.07018	0.3
119.08581	1.4
121.06506	2.0
127.01550	0.4
131.08565	1.2
133.08588	1.2
133.10120	0.6
147.08043	1.3
157.10098	0.6
165.09117	0.9
177.11147	0.5
209.13237	1.9
223.11093	0.5
225.12650	0.3
227.12756	2.2
251.14342	1.2
253.15891	0.3
255.12273	7.2
264.61694	0.3
311.29276	0.5
327.17383	0.5
359.14661	0.4
359.18466	1.7
382.25562	0.3
507.55225	0.3
555.72314	0.4
584.33466	0.8
584.41656	0.5
584.55847	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	584.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.4
51.02371	0.4
53.03937	0.6
56.00362	0.3
59.04999	0.3
67.52823	0.3
69.49699	1.2
69.50087	0.6
73.06534	0.5
77.03940	0.9
79.05494	5.5
87.04465	4.0
89.06025	32.8
90.06360	0.4
91.05477	4.7
93.07049	2.9
95.04959	3.4
103.05457	5.2
103.67586	0.3
105.04583	1.6
105.07023	100.0
106.07364	1.6
107.04929	0.5
107.07042	0.5
113.00012	0.8
114.03837	0.8
117.07012	0.7
119.04941	1.4
119.08575	2.5
121.06496	20.3
124.03963	0.6
124.32457	0.3
129.06995	1.2
130.08699	0.6
131.07022	1.1
131.08556	3.0
133.08598	21.0
135.08047	0.5
136.05078	0.3
139.01552	2.2
145.06494	0.7
147.08038	13.9
149.09596	3.0
158.06372	0.5
163.07578	0.5
165.09106	5.5
168.75758	0.3
175.09639	0.8
177.11198	7.5
193.12215	0.4
202.09035	0.4
209.11673	2.1
221.13815	1.0
222.10326	0.4
223.11142	0.8
225.12715	7.0
249.12689	0.8
251.14244	1.6
256.26413	0.6
259.15225	0.4
269.15402	4.4
270.15674	0.4
271.15289	2.2
313.17929	0.9
313.82202	0.4
315.18085	1.3
359.20602	16.5
360.20764	0.6
373.21674	1.8
389.34348	0.3
419.24295	0.5
463.26862	9.6
484.23715	0.6
567.32904	1.2
584.21283	0.5
584.28870	1.2
584.40747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03952	0.5
56.81616	0.3
66.60171	0.3
66.90215	0.3
67.05518	0.3
69.27399	1.6
73.06558	0.6
77.03922	1.0
79.05485	5.8
81.07027	0.4
87.04460	4.8
88.07607	0.3
89.06024	32.0
91.05471	5.7
93.07044	3.4
95.04963	3.8
95.08575	0.4
98.27392	0.3
103.05465	6.6
105.04618	1.5
105.07021	100.0
106.02941	0.4
106.07354	1.6
107.04975	0.9
107.07079	1.0
107.08580	0.4
112.99990	0.5
114.03835	0.5
117.07007	1.0
117.09146	0.3
119.04939	1.2
119.08566	2.5
119.56376	0.3
121.06497	20.8
122.06849	0.4
124.03933	2.2
128.06198	0.6
129.07018	1.6
130.08575	0.4
131.07024	1.0
131.08543	3.1
132.05739	0.6
133.08595	19.5
135.08130	0.6
139.01524	2.1
145.06485	0.6
145.10075	0.4
147.08041	16.5
148.08336	0.3
149.09595	2.8
159.11688	0.4
163.07518	0.3
165.07019	0.4
165.09099	5.7
166.07767	0.4
167.10829	0.4
173.09578	0.5
175.09653	0.5
177.11209	8.4
179.08539	0.4
181.10063	0.7
183.04158	0.4
189.12769	0.4
191.10672	0.7
194.17036	0.4
201.12526	0.4
205.51230	0.3
207.11705	0.3
209.11697	1.8
209.13416	0.6
211.14914	0.3
213.14813	0.3
221.13870	1.0
223.11151	1.4
225.12729	7.4
227.12738	0.4
239.14877	0.6
249.12773	0.9
251.14287	1.2
256.26413	0.7
269.15353	4.1
271.15347	2.0
295.16940	0.3
313.17883	2.1
315.18033	1.4
359.20624	14.8
360.21039	0.7
373.21729	1.9
390.47855	0.4
463.26877	8.9
567.32983	1.5
584.28455	2.2
584.36230	0.6
584.55945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33949	3.2
57.07076	30.0
69.07053	5.8
69.23138	19.2
71.08617	23.1
72.70854	2.7
73.06557	6.9
83.07186	3.0
83.08611	7.4
85.10178	13.1
87.04461	6.5
89.06023	100.0
97.10144	4.2
97.47723	3.0
98.23460	4.3
107.50760	3.3
111.11720	5.5
114.48647	2.8
117.09156	4.6
133.08592	61.8
138.79724	2.9
153.10298	2.9
153.85484	2.6
177.11197	24.0
221.13733	5.1
285.27893	8.8
329.30121	3.3
338.89499	2.9
371.22751	13.5
478.67209	3.4
567.44788	6.3
584.47260	3.8
584.56030	6.9
608.74951	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	585.1215
Annotation	Vitexin 2''-O-gallate
Peak:m/z	Relative Intensity
50.68483	0.6
58.06539	0.5
67.05477	0.9
69.03378	0.9
70.06540	1.1
72.08097	0.9
79.05434	1.2
81.03382	0.5
81.97139	0.5
83.04945	0.6
85.02872	0.9
92.07011	0.5
98.15772	0.5
98.23520	1.0
103.05441	1.4
107.08530	1.4
109.02811	0.6
124.11192	1.0
125.09573	1.2
127.03833	1.0
131.04939	2.8
153.35902	0.5
167.03117	0.7
168.02841	0.9
184.68498	0.5
185.04208	0.6
185.36348	0.6
196.16914	1.7
227.05177	3.0
229.29343	0.6
271.04166	6.9
293.04297	0.8
306.05002	5.6
307.02167	3.5
307.05350	0.9
315.08301	0.6
321.03629	1.8
322.04413	8.5
337.06818	52.0
338.07089	1.4
373.07602	2.0
484.09625	0.7
499.12091	39.8
500.12344	1.3
526.10864	4.4
541.13153	72.8
542.13489	2.9
567.11017	7.0
567.19165	0.7
570.09900	1.3
584.33636	1.0
585.12115	100.0
586.12622	4.3
592.07611	0.7
595.72748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.5
59.28336	0.5
61.27104	0.6
69.03397	1.4
70.55448	0.7
70.98090	0.5
72.08116	0.5
79.05453	1.1
81.03354	0.8
85.02902	2.5
91.05422	1.0
95.04938	0.8
95.08526	0.5
97.02874	0.8
103.05427	1.4
105.01817	1.6
105.03350	0.8
105.06975	1.0
107.08556	0.6
109.02802	0.9
115.24669	0.7
125.09575	1.2
127.03831	1.5
130.67151	0.5
131.04924	4.1
141.41206	0.5
145.04845	0.6
146.98715	0.5
151.03871	1.0
153.01723	0.6
163.03946	0.5
168.02884	0.9
169.01245	0.8
181.01297	1.0
183.02850	0.9
184.07326	0.7
185.04214	1.1
196.16902	0.9
199.02327	0.8
211.01999	0.7
227.05243	4.0
248.16103	0.6
271.04034	7.6
277.04773	0.9
283.05984	2.7
293.04156	0.7
305.04156	0.6
306.04956	7.4
307.02078	4.8
307.05566	1.3
315.04807	1.5
315.08264	0.7
321.03680	2.7
322.04398	10.2
337.06766	53.7
338.07095	2.5
357.04343	0.7
358.04886	0.7
373.07556	1.6
389.06326	0.9
391.08667	1.1
403.08002	1.1
429.05942	0.7
451.08850	0.6
484.10178	0.8
499.12027	45.1
500.12509	2.7
511.08371	0.6
523.11719	1.3
526.10693	4.3
541.13129	79.3
542.13422	4.9
567.10986	7.2
568.11450	0.7
570.09827	1.4
585.12036	100.0
586.12201	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	585.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83833	1.2
55.05507	2.3
58.99559	1.2
60.54043	1.1
65.03956	1.3
66.10692	1.0
67.05469	1.6
69.03439	6.8
70.02933	2.0
71.34768	1.0
72.72148	0.9
74.00658	1.0
76.04002	1.6
79.05481	2.0
81.03417	8.5
81.05797	1.2
81.07016	1.3
83.04971	4.1
85.02922	1.6
86.00630	1.3
87.56174	1.1
88.02198	3.6
91.05457	4.9
91.22443	1.1
93.07034	3.1
95.04948	3.0
95.08588	1.9
100.02192	4.8
100.02768	1.1
102.03731	1.4
105.03406	2.2
105.07021	3.6
107.08565	2.8
109.06490	1.2
109.10104	1.2
111.04435	5.2
112.02193	3.0
113.05956	1.2
114.03748	9.9
116.01665	3.9
117.07031	2.2
119.04944	1.2
119.08560	6.4
121.02856	1.7
121.10138	2.0
126.03755	2.0
129.07033	1.4
131.08534	4.1
133.06438	1.7
133.10118	2.2
135.08044	1.1
137.05887	1.4
138.03735	1.4
140.05287	3.2
141.07016	1.8
142.07813	1.9
143.08533	4.0
145.06229	3.3
145.10181	6.2
147.07986	1.3
150.03743	1.4
155.08565	2.6
157.10106	5.4
159.07986	2.5
159.11676	2.6
161.09625	2.9
162.02211	1.3
163.11154	6.2
167.08513	1.5
168.09369	1.5
169.10080	3.5
171.11624	2.0
173.09625	2.5
173.13248	5.2
177.03334	1.4
178.10214	1.0
179.08607	1.4
181.04922	3.3
181.10091	2.9
183.08023	1.0
183.11650	3.6
185.13298	2.3
187.11147	3.5
189.03352	1.2
193.10150	1.3
194.10921	1.3
198.29276	1.1
200.14371	1.5
201.12741	1.9
203.04825	3.2
211.11174	1.8
215.08879	1.5
217.06441	4.6
229.08472	1.4
244.59035	1.0
250.29201	1.0
255.13777	3.6
257.04568	1.4
258.13107	1.6
260.14832	1.7
273.11630	1.6
273.14792	18.9
310.17722	1.3
361.15662	5.4
368.16666	2.6
379.16840	6.5
386.17758	2.9
419.07584	1.5
423.10806	3.4
453.18820	1.0
461.21140	1.7
471.19449	21.8
472.19571	1.7
489.20511	100.0
490.20627	2.5
507.21811	2.2
549.22137	1.7
585.18939	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	585.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
54.72475	0.6
55.01867	0.9
55.05508	1.9
55.27509	0.8
57.03444	1.1
58.81340	0.7
63.02038	0.7
67.05496	3.3
69.03423	5.1
69.07083	0.8
69.10173	5.3
69.98822	0.6
70.06597	5.5
72.08168	0.9
73.02908	1.1
79.05489	2.5
81.03411	2.8
81.07052	3.3
82.06592	1.0
83.04995	0.7
83.06087	1.0
83.08617	1.4
84.04498	17.1
84.05004	0.9
84.08130	4.0
85.02908	10.8
86.06072	2.1
86.09698	3.6
87.04441	0.7
91.05465	6.9
93.07049	4.0
94.06557	0.8
95.01302	1.0
95.04955	1.0
95.08608	2.6
97.02892	3.6
99.04444	1.1
101.07119	3.5
102.05539	2.4
102.09212	1.6
105.07008	10.8
107.08584	7.3
108.08112	1.8
109.02879	2.2
109.10202	1.2
111.61662	0.7
112.05039	0.8
114.05536	0.8
115.05486	1.1
116.06251	1.4
117.07008	4.7
119.08571	12.3
120.08140	1.5
121.08888	1.0
121.10161	5.1
122.09671	2.5
127.03910	2.2
129.06984	4.8
129.10228	0.7
130.04994	20.0
130.06491	0.8
130.07777	1.9
131.08559	29.6
132.08075	1.5
132.08925	1.2
133.10106	7.3
134.09625	3.8
135.08044	4.8
135.10410	2.0
136.11227	2.0
137.09590	1.0
142.07788	1.0
143.08559	8.2
144.08144	1.4
144.09317	2.8
145.08972	1.6
145.10110	14.5
146.09666	4.1
147.10501	1.3
147.11693	4.9
148.11206	9.5
149.13217	4.6
156.09377	0.9
157.10091	1.4
158.09662	3.1
158.10878	17.1
159.10422	1.6
160.07625	0.7
160.11200	4.5
161.12019	1.4
170.09625	1.0
171.11734	2.0
172.11244	1.6
173.13249	55.5
174.09169	2.5
174.12712	14.2
176.10713	1.7
182.08089	0.9
184.11200	1.0
186.12782	2.2
188.10674	4.5
188.14427	2.0
189.15150	2.9
190.15907	13.7
196.11205	1.1
198.12668	1.1
200.10841	2.0
200.14046	0.9
202.12268	22.3
204.13852	2.4
206.11835	1.1
208.16989	2.9
211.54608	0.8
214.12259	12.3
216.17659	0.8
220.09709	3.3
228.13622	0.9
228.17497	1.2
229.13780	0.8
232.09798	1.0
232.13341	1.3
234.11314	3.7
242.11740	2.2
244.16759	1.1
246.11264	3.4
247.12083	0.8
248.12805	23.5
256.16928	2.5
260.12833	14.2
273.19647	1.5
274.18018	1.1
284.16501	1.6
302.17468	14.8
319.02765	1.3
319.20129	26.5
337.21201	24.0
342.22079	1.0
470.84833	0.8
499.26382	14.1
500.27100	1.1
541.27533	44.5
542.27802	2.8
567.17340	0.8
567.25378	3.2
567.33325	0.8
578.95752	0.8
585.26483	100.0
586.26819	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	585.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16292	1.2
70.16616	1.1
76.79700	0.7
89.26819	0.9
91.05473	1.7
95.05003	1.1
96.04463	1.6
103.05475	6.7
104.05804	1.9
105.03403	1.4
105.07050	1.2
112.03931	0.9
115.05457	2.1
120.08102	1.2
129.07036	0.8
131.02809	0.8
131.04915	18.0
132.05257	3.8
136.07484	1.0
149.02304	1.1
167.02209	1.0
169.01392	1.2
170.09692	1.0
183.09151	2.0
194.09686	1.1
195.09094	1.6
196.09840	0.9
197.10750	3.1
199.08548	0.9
199.12282	0.8
209.10756	7.8
210.09525	1.1
210.11375	4.9
211.08612	1.3
211.12238	4.1
212.09433	1.6
212.13043	2.2
213.10130	1.6
223.12233	1.5
225.10315	5.2
225.13742	1.5
226.10887	1.6
227.11801	4.9
237.10239	4.9
238.08801	0.8
238.11044	3.0
239.11670	4.9
240.12483	5.1
241.13368	2.0
243.11263	1.1
251.11809	1.9
252.12624	1.1
253.13358	2.8
255.11436	1.2
255.14874	0.9
256.11938	1.8
257.12967	1.1
269.12811	4.4
271.10919	1.9
271.14441	6.7
272.02066	0.9
272.11575	1.2
280.06079	0.9
281.12833	2.7
282.07767	1.0
283.11166	1.0
283.14362	0.9
284.11508	1.5
285.12384	3.0
286.13052	4.5
287.13687	2.4
296.09293	1.2
297.12308	40.6
298.12775	3.2
299.13885	38.8
300.14276	1.9
301.12299	1.0
301.15396	1.9
302.12912	1.5
315.08633	2.8
315.13666	1.7
316.14487	5.1
317.15308	1.3
328.14478	2.9
329.15372	1.8
330.15964	4.6
331.16663	4.2
332.17590	1.1
341.06647	1.5
344.17572	11.6
345.18466	1.1
346.19110	3.0
360.20831	4.1
367.08069	1.6
384.12344	2.3
390.18204	2.8
403.18729	1.0
404.19626	4.9
423.18021	1.3
435.07562	1.9
437.19302	1.2
449.20020	0.9
452.14957	1.0
452.21024	1.1
462.20248	17.7
463.06726	1.5
463.20932	11.9
464.10077	2.0
464.21829	1.4
467.24081	1.3
497.21783	1.1
512.23865	1.3
525.25378	1.0
526.25055	1.5
553.16675	1.3
567.17419	2.3
567.25580	1.6
568.16095	9.5
570.24744	1.7
585.19012	3.6
585.26984	100.0
586.27911	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	585.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38626	0.3
55.03200	0.3
69.03415	0.6
69.15355	0.3
69.32370	1.3
79.05499	0.3
81.03416	0.3
81.07040	0.3
85.02897	0.6
87.04488	0.5
89.06071	0.3
91.05513	0.4
97.02886	0.5
121.02856	0.4
127.01593	0.4
127.03914	0.6
133.54243	0.3
138.05441	0.5
147.04391	1.6
148.04771	0.5
163.07541	1.9
164.07918	1.3
165.08025	0.4
174.26050	0.3
181.08597	1.5
182.08983	0.7
183.02837	0.3
185.04189	0.6
189.09077	0.5
203.05286	1.3
204.10287	0.3
205.10588	0.5
207.10078	0.5
208.10495	0.7
216.41595	0.3
221.11595	0.4
259.07797	1.5
295.15015	0.5
299.20074	0.7
300.20432	0.5
301.20657	0.7
317.21146	0.5
318.21600	0.5
319.21878	0.5
331.10031	1.0
349.19833	0.7
393.09946	0.3
423.23669	2.3
438.23755	0.7
439.24222	1.1
457.20532	2.6
457.63107	0.3
471.22052	2.0
499.25256	0.7
585.28741	100.0
586.29187	4.7
607.50916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35814	0.3
53.27029	0.3
55.05502	0.7
59.04981	1.0
61.32864	0.4
67.05498	0.8
69.03403	1.1
69.07063	1.3
70.06583	0.6
71.76144	0.4
73.02906	0.6
79.05474	1.0
81.03424	1.2
81.07049	1.3
85.02896	2.9
87.00825	0.9
87.04446	0.8
89.06023	1.4
91.05486	1.1
93.07052	1.5
95.04973	0.7
95.08604	1.7
96.58961	0.4
97.02891	1.5
99.04446	0.8
103.03901	0.6
105.01872	0.4
105.07021	0.9
107.08588	1.1
109.02890	1.3
109.10153	1.1
111.04436	0.4
111.11713	1.0
117.01826	0.4
117.07008	0.5
119.04962	0.8
119.08553	0.6
121.02885	1.2
121.10157	1.4
125.35215	0.4
127.01569	2.3
127.03941	1.5
131.08603	0.6
133.08594	1.2
133.10126	0.9
135.11694	0.6
136.05083	0.4
138.05460	1.8
139.01498	2.1
143.08580	0.8
144.95210	0.4
145.05013	0.6
145.10146	1.0
147.04413	1.9
147.11731	0.6
153.03134	1.1
159.11694	0.5
161.05984	0.6
163.14821	0.8
165.07106	0.5
168.00514	0.9
173.06090	0.4
183.02861	3.2
183.06305	0.3
185.04218	0.7
186.01636	0.6
187.14844	0.4
201.03749	0.5
205.10524	0.4
223.13353	0.4
255.21255	0.7
259.07834	0.4
271.06134	0.5
272.06442	0.6
273.06555	0.4
273.21942	0.4
283.20609	0.5
301.21600	2.9
319.22662	5.4
331.09872	0.9
337.23920	1.4
342.97141	0.4
352.50333	0.4
405.02368	1.0
423.23648	1.7
439.24414	0.7
457.20313	3.4
471.21796	2.5
488.91031	0.4
497.23218	0.6
567.05035	0.5
585.28778	100.0
586.28998	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
52.01889	0.8
53.03939	1.2
54.99728	0.7
55.01871	0.7
65.03941	1.6
68.99788	1.3
70.51181	0.9
70.51530	0.7
77.03885	0.9
91.05470	20.6
92.01346	2.0
95.04987	5.0
98.22793	0.6
101.32032	0.6
102.04646	1.1
103.05457	78.0
104.01339	0.6
104.05777	1.2
105.03381	0.8
105.04501	2.8
119.04898	0.8
121.02879	2.3
131.04924	12.5
132.05237	0.7
138.01813	0.8
144.42188	0.7
144.53535	0.6
147.04391	100.0
147.50003	0.7
148.00246	2.1
148.04723	2.1
155.04881	1.6
159.04306	0.7
160.00273	0.9
166.01337	1.7
167.02110	1.1
168.02930	0.6
168.44928	0.6
171.04362	3.0
172.00307	1.1
173.01099	1.3
173.06021	1.9
175.03888	2.5
178.01317	3.4
190.01328	0.8
192.02852	1.4
194.00761	0.9
194.11214	0.7
199.03871	3.1
199.99799	1.4
202.01280	6.8
206.06050	0.9
213.05313	0.7
216.02908	1.5
218.00841	5.2
219.01544	1.1
220.02388	1.0
222.00343	1.8
227.03308	1.4
230.00778	6.0
231.98689	1.0
236.07042	0.9
240.01379	1.1
246.00443	1.0
248.01747	4.6
249.99774	3.1
255.98849	1.6
258.00311	2.0
261.02582	1.4
262.03418	2.0
264.06470	1.4
266.02948	1.9
268.00858	20.5
268.03787	1.0
270.07587	2.0
273.99814	10.2
275.00363	1.0
276.01263	3.0
282.07608	2.6
288.01239	5.1
289.02103	1.9
292.00848	29.6
293.00897	0.7
304.05960	1.4
305.06299	0.6
306.02368	21.1
306.07504	1.1
307.03036	0.7
318.03809	0.8
320.05524	1.0
324.04642	0.8
326.06424	0.8
330.04007	0.8
332.05429	4.3
333.06119	0.6
334.03406	1.6
334.07108	2.4
336.05112	1.5
338.06723	0.8
340.08139	2.0
348.05127	0.9
350.06534	1.1
352.04306	0.6
352.08194	2.3
354.06061	8.4
358.03348	2.2
360.04926	2.0
362.02731	2.7
362.06537	2.2
364.07916	0.8
366.09729	5.8
376.04257	1.8
377.05362	0.8
378.06018	9.8
379.06641	1.5
380.07779	1.4
386.02838	2.2
388.04529	1.1
392.07587	48.8
393.08289	6.7
394.09335	3.6
404.03833	1.4
413.14862	0.7
414.02393	4.5
432.03412	1.2
436.11603	2.7
438.09711	1.3
464.05759	1.8
464.11429	1.9
466.09079	4.9
480.10553	1.7
481.17999	0.8
482.18335	1.4
492.11017	3.5
494.12051	4.3
498.11481	1.8
508.10214	4.0
510.11716	2.1
512.13434	1.6
522.11877	3.9
536.09686	8.3
540.12701	2.9
550.11224	6.1
554.10461	2.2
568.12335	29.4
569.12250	2.1
586.12701	7.3
587.12146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01902	1.0
53.03938	1.4
65.03928	1.6
68.99786	2.0
70.03005	0.6
77.03905	1.0
85.64911	0.7
86.43158	0.7
91.05476	21.6
91.06048	1.3
92.01340	2.3
92.86800	0.6
92.99761	1.8
95.04959	5.5
102.04684	0.9
103.05462	83.9
104.01340	1.3
104.05777	1.3
105.03382	4.6
105.04513	2.6
119.04947	1.3
120.00716	0.7
121.02863	2.5
121.06441	0.8
131.04913	11.4
132.00749	0.6
135.03728	0.6
138.01860	0.7
145.02795	0.9
145.06506	1.3
146.02296	0.8
147.04398	100.0
148.00302	3.1
148.04797	1.3
149.02296	3.3
149.05966	12.5
155.04926	1.6
157.02811	0.7
159.04378	1.4
160.00284	2.0
166.01337	1.7
171.04399	2.7
172.00250	1.4
173.01045	1.8
173.05995	1.6
175.03911	4.9
178.01332	4.4
187.03938	0.9
190.01413	1.1
192.03014	0.6
193.04924	2.9
199.03990	3.5
199.99805	1.3
201.05479	1.0
202.01328	8.7
206.06027	1.0
218.00842	5.1
219.01628	0.9
222.00352	1.9
222.05458	0.9
227.03387	1.4
230.00792	6.0
234.05757	0.7
236.07108	0.9
246.00336	0.9
247.01144	1.0
248.01857	4.3
248.07051	0.8
249.99826	4.1
250.05130	0.7
255.98814	1.8
258.00357	2.6
261.02716	0.9
262.03229	1.2
264.06540	0.9
266.02936	1.6
268.00864	25.8
270.07452	1.0
273.99814	11.4
274.04926	0.7
276.01419	2.2
276.06445	0.9
282.07510	2.1
288.01355	6.0
289.02133	2.5
292.00848	27.0
293.01456	0.9
297.07465	3.8
304.00803	0.7
304.05780	1.1
306.02368	21.3
306.07803	1.5
307.02844	1.1
324.04953	1.2
326.06537	1.2
332.05521	3.8
334.03314	2.2
334.07062	3.0
336.05011	1.3
340.08206	2.2
341.10168	22.8
348.04794	1.2
350.06549	1.5
352.08115	3.0
354.06030	10.8
358.03360	2.1
360.05023	2.6
362.02838	3.0
362.06808	2.4
366.09711	5.7
370.03613	0.7
376.04636	2.0
378.06097	8.5
379.06631	1.3
380.07654	0.8
386.02881	2.3
387.03613	0.9
388.04263	1.2
392.07617	46.9
393.08258	6.1
394.09134	2.6
404.03802	0.9
410.09555	1.0
412.08148	1.0
414.02353	5.4
436.11646	1.6
438.09595	1.4
450.04675	0.7
464.05630	1.3
464.11285	2.3
466.09305	5.2
480.10779	1.5
481.17792	0.8
482.18558	1.8
492.10593	2.5
494.12442	3.8
498.11786	2.0
506.11621	0.9
508.10233	4.1
510.11533	0.9
512.13239	1.9
522.11810	2.9
536.09778	9.0
540.12598	3.1
550.11078	5.9
554.10840	2.4
568.12323	31.0
569.12573	1.5
586.12933	5.3
586.33563	2.9
611.60547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
51.02377	0.9
51.21367	0.1
53.03939	0.6
55.01862	0.6
57.03427	0.8
61.02924	0.5
65.03944	0.2
65.73476	0.1
68.99785	0.5
69.03426	4.0
69.70316	0.2
69.70704	0.3
71.01322	0.1
71.04977	0.4
72.53946	0.1
73.02924	0.6
76.53909	0.1
78.03445	2.6
81.03412	3.1
83.01328	0.1
85.02898	6.4
87.00344	0.2
87.00825	2.2
87.04456	0.1
91.03941	0.2
91.05474	0.2
93.07031	0.1
95.04932	0.1
96.04486	100.0
97.02881	1.8
97.04813	1.0
99.04449	1.2
101.37705	0.1
102.34259	0.1
103.03954	0.2
105.01865	1.4
107.04945	0.1
109.02875	3.3
115.03925	0.1
117.01833	0.2
117.07024	0.3
119.04929	0.2
127.03908	5.0
129.01831	0.6
135.08046	0.2
136.07559	1.2
145.04968	1.2
145.06490	0.2
147.02852	0.3
149.06032	0.4
159.02884	1.3
171.02829	0.1
173.05959	1.0
187.06032	0.4
189.03885	0.2
201.05441	1.2
212.05142	0.1
213.03935	0.2
228.58006	0.1
231.05067	0.7
243.10223	0.3
338.13763	2.1
338.17807	0.2
481.81961	0.1
500.18979	0.3
542.20239	0.3
586.19135	3.2
586.28186	0.2
587.19531	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	586.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.2
53.03939	0.3
57.07069	0.2
69.03432	0.3
69.23778	0.6
69.24200	0.3
70.06587	0.2
71.74052	0.2
76.01878	0.3
77.03938	0.4
79.05510	0.1
81.03409	0.3
83.63171	0.2
84.04510	0.2
85.02895	0.3
88.07625	0.4
91.05475	0.8
94.02919	0.5
95.04961	0.8
96.04478	0.7
97.02889	0.4
98.22738	0.4
102.09193	0.2
103.05453	0.6
105.03387	0.2
105.04507	0.5
105.07014	1.1
107.04939	0.3
109.02877	0.2
111.03148	0.2
112.03955	100.0
113.04294	1.2
115.05451	0.4
119.04939	2.9
124.07560	0.1
127.03928	0.4
128.06197	0.6
129.06989	3.0
131.04919	1.5
132.05273	0.3
133.06459	1.1
134.07245	3.8
138.01868	0.2
141.06995	0.4
149.02332	0.6
152.07059	2.9
153.94948	0.2
155.06032	0.2
157.06473	0.6
166.01291	0.2
167.02071	0.5
168.02625	0.2
170.07307	0.2
178.01422	0.2
185.03276	0.3
185.05968	6.0
186.03590	0.2
186.06537	0.2
193.04964	0.8
199.07591	0.8
227.10649	3.3
228.23242	0.6
270.07663	0.2
271.08197	0.6
272.08630	0.6
273.09119	0.4
274.09286	0.5
300.14218	0.2
338.13824	15.7
339.14270	0.8
340.15347	0.2
359.07581	0.2
360.09213	4.4
385.09143	0.6
463.20410	0.1
500.19043	0.4
519.94958	0.2
542.19598	0.5
553.26593	0.2
586.18481	4.9
586.29199	1.8
587.19287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02380	0.5
53.03943	1.7
55.01871	1.2
57.03434	1.1
61.02932	0.8
65.03945	0.2
66.50036	0.1
68.99792	1.3
69.03427	6.3
71.01372	0.2
71.04977	0.6
71.41839	0.2
73.02921	1.3
77.03953	0.2
78.03448	2.2
81.03414	6.6
83.01343	0.2
85.02902	8.6
87.00831	3.6
89.92425	0.2
91.03977	0.3
91.05495	0.8
93.07034	0.3
95.04967	0.7
96.04489	100.0
97.02892	2.9
97.04803	0.9
99.04460	2.1
103.03939	0.8
103.05460	2.3
105.01863	1.9
105.04468	0.2
105.07017	0.3
107.04951	0.9
109.02878	6.2
115.03945	0.2
115.05457	0.8
117.01860	0.5
117.07047	0.8
121.02899	0.4
121.06485	0.4
122.07253	0.3
127.03914	6.6
128.06267	0.4
129.00319	0.2
129.01828	0.8
129.07001	0.6
131.04924	6.5
132.05280	0.2
133.02702	0.2
133.06432	0.2
135.04378	0.2
136.07573	10.5
138.01855	0.3
141.07007	0.4
145.04953	1.7
145.06477	0.7
147.02893	0.5
147.04453	0.3
149.05959	1.6
150.06729	1.3
155.04932	0.2
155.06046	0.3
159.02907	2.1
164.39442	0.2
166.01402	0.3
167.02161	0.4
168.02936	0.7
169.06482	0.2
170.06041	0.2
173.05974	1.8
179.08557	0.2
182.06017	0.2
185.03145	0.3
185.06013	0.4
187.06030	0.8
187.07582	0.5
189.04044	0.2
190.01572	0.2
192.02815	0.3
196.07726	0.2
199.03993	0.2
200.93941	0.2
201.05466	3.0
208.02536	0.3
212.07028	1.1
213.03825	0.2
215.10725	0.8
218.00897	0.5
225.09059	0.3
231.04961	1.0
241.05037	0.3
243.10158	3.1
251.07172	0.2
253.08643	0.3
272.09149	0.5
280.06021	1.5
296.09250	0.4
297.07715	0.3
308.08862	0.2
322.07083	0.7
332.09427	0.2
338.13840	15.6
339.14166	0.6
374.10687	0.2
384.12259	1.1
418.09171	0.3
420.10922	0.4
426.13168	0.4
446.08728	0.3
480.14297	0.2
500.19281	0.4
506.15933	0.3
522.15204	0.2
524.17297	0.9
532.13300	0.3
542.19080	0.8
550.15033	0.9
568.16052	1.2
586.17834	8.4
587.18158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.4
51.02376	0.7
52.68884	0.3
53.03939	1.0
55.01868	1.1
57.03431	0.9
61.02919	0.5
62.96316	0.3
65.03912	0.4
66.96944	0.3
68.99781	1.3
69.03426	7.6
69.10185	2.1
71.05007	0.4
73.02908	1.0
77.89037	0.3
78.03457	2.3
79.05487	0.4
81.03417	6.1
83.01339	0.3
85.02901	10.7
87.00828	2.7
87.04424	0.3
91.03938	0.3
91.05475	1.4
93.07022	0.3
95.01354	0.3
95.04951	1.2
96.04490	100.0
97.02883	3.4
97.04819	1.0
99.04456	2.1
103.03944	0.7
103.05460	3.2
105.01872	1.8
105.03389	0.4
105.07042	0.5
107.04971	0.7
109.02879	7.1
111.04470	0.6
115.05457	1.5
117.01878	0.4
117.07033	1.3
121.02885	0.4
121.06501	0.4
127.03920	9.7
128.06209	0.8
129.01860	1.0
129.06996	0.7
131.04921	13.0
132.05272	0.4
133.06538	0.3
135.08026	0.5
136.07568	18.9
137.07896	0.4
138.01845	0.7
141.06963	0.6
142.06540	0.4
143.04935	0.4
145.03999	0.4
145.04933	1.6
145.06459	0.5
147.02902	0.6
147.04427	0.6
149.05971	0.9
150.06758	0.8
155.04932	0.3
155.06111	0.4
156.08057	0.3
157.06444	0.4
159.02908	1.7
165.07016	0.3
166.01370	1.2
167.02087	0.5
168.02972	1.7
169.01421	0.4
173.05981	3.1
178.01311	0.3
184.02403	0.4
184.07526	0.4
185.06007	0.3
187.06021	0.8
190.49989	0.3
192.02866	0.9
196.07626	0.4
199.03865	0.6
201.05438	3.7
207.08069	0.3
208.02553	0.5
212.07010	2.6
215.10632	0.4
218.00858	0.9
224.07066	0.4
230.08072	0.4
231.05005	1.2
241.04951	0.8
243.10187	1.9
252.06587	0.4
253.08688	0.7
254.08159	0.3
266.08139	0.4
270.04105	0.4
270.07632	0.9
271.05887	0.4
272.09244	1.1
273.07635	0.5
280.06003	2.4
296.09268	1.0
297.07703	0.6
298.03748	0.3
308.09161	0.6
312.05634	0.3
322.07050	1.4
338.13870	14.8
339.14297	0.4
376.08368	0.6
384.12317	2.6
395.12006	0.4
418.09314	0.7
426.13358	1.3
446.08911	0.9
500.19098	1.0
506.16034	0.6
524.17206	2.0
536.13513	0.4
542.19818	1.8
550.15033	1.6
568.16711	2.5
586.17822	18.9
587.17889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.8
53.18671	0.7
55.01856	2.2
65.03928	3.4
69.03410	0.9
71.43569	0.9
74.36748	0.8
75.04466	4.1
77.03922	1.4
77.18469	0.8
78.04709	3.2
79.05486	3.1
83.04961	0.9
85.02895	4.9
89.03924	0.9
89.06046	0.8
91.05473	13.9
93.03410	11.0
93.07020	3.9
95.04964	5.8
97.02881	9.9
97.06514	2.9
103.05457	7.1
105.04508	1.4
105.07019	6.4
106.04172	26.6
107.04990	1.1
111.04443	0.8
115.05464	1.2
117.03368	1.0
118.04161	1.3
119.04958	1.9
120.84263	0.7
121.06502	29.6
122.03607	1.0
123.04430	1.4
123.08029	0.9
125.05970	8.3
127.03937	0.8
131.04915	3.2
131.05914	0.6
133.02823	4.3
133.06487	6.1
134.03639	4.5
135.08073	0.8
137.02379	1.3
137.05962	7.6
139.07518	2.6
143.06030	0.9
147.04405	3.2
148.05188	2.7
149.05971	46.2
151.03868	1.8
151.07538	2.1
152.08284	1.0
153.05481	1.9
153.09113	11.3
161.05971	15.6
163.07515	3.8
165.05467	1.8
166.06219	1.1
167.06985	2.1
172.97070	0.9
177.05469	24.5
181.06978	1.2
181.08592	20.3
191.07018	13.3
193.08580	12.4
194.99359	0.7
209.08075	100.0
210.08473	1.8
217.08504	1.0
233.04471	1.7
246.76671	0.7
247.09706	0.9
250.83820	0.9
305.33069	0.8
339.12518	0.8
341.13635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34008	0.9
53.03942	1.3
55.01869	1.7
55.52926	1.0
65.03928	3.7
67.05483	1.1
69.03430	1.7
69.26947	4.4
70.06584	6.8
72.08132	1.5
75.04471	4.7
78.04690	2.8
79.05479	2.7
81.03407	1.0
81.07040	2.8
84.04453	1.0
84.08125	1.1
85.02918	4.4
86.09695	3.1
86.14627	0.9
89.06015	1.7
90.04279	0.9
91.05464	13.1
93.03392	10.5
93.07049	4.6
95.04948	5.6
97.02882	1.6
97.06535	2.5
103.05445	6.6
105.03371	0.9
105.04533	1.5
105.07037	6.2
106.04160	27.0
107.04972	2.0
108.05749	1.0
109.06496	0.9
110.07156	1.0
118.04131	1.0
119.04944	2.8
121.02822	1.0
121.05601	1.6
121.06489	29.7
123.04424	1.1
123.11617	0.9
125.05981	9.6
127.03819	0.8
131.04907	2.7
133.02834	5.4
133.06453	6.8
134.03659	4.4
137.05969	6.3
138.06757	0.9
139.07530	3.1
145.02824	1.0
147.04398	2.7
148.05186	1.7
149.05965	44.5
150.06313	1.1
151.07507	2.1
153.05443	1.5
153.09070	11.5
161.05956	8.2
163.07538	3.5
165.05469	1.8
167.07018	1.5
177.05450	22.2
179.07074	1.6
181.08583	23.1
191.07001	13.0
193.08601	6.2
209.08066	100.0
210.08440	2.0
341.13983	1.2
385.33170	1.0
504.40024	0.9
586.19513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
52.82766	1.6
55.01857	4.1
69.03431	3.5
70.06593	6.6
71.42960	2.4
72.08148	2.4
75.04473	1.8
75.21628	1.8
75.99776	1.4
79.05500	3.6
81.03398	1.8
84.08138	2.4
85.02901	9.2
86.09696	4.1
91.05479	21.5
93.03407	5.7
93.07066	2.6
95.04972	5.4
95.08575	2.2
97.02891	2.4
97.06522	2.7
103.05463	43.2
105.03398	2.6
105.07024	14.2
106.04163	12.9
107.04956	5.4
109.02848	1.7
109.06528	3.2
115.05482	3.8
117.07026	1.6
119.04953	19.6
121.06509	18.1
123.04436	3.0
123.08092	3.2
125.05990	3.9
127.03919	2.7
131.04924	100.0
133.06506	8.3
134.03662	2.0
135.04376	2.4
137.05960	10.4
143.06032	2.0
145.05000	2.3
145.06464	2.2
147.04411	6.4
147.08043	3.2
148.05180	2.2
149.05971	26.5
151.07523	9.1
153.05434	1.9
153.09070	6.4
159.08018	6.2
160.05106	2.6
161.05974	43.6
162.06696	3.5
163.07535	62.9
167.07040	32.8
167.08348	3.0
172.05101	2.0
173.05952	3.3
175.07567	9.6
177.05492	16.6
179.06969	8.7
181.08606	12.3
187.07538	17.5
190.06316	3.1
191.07034	11.3
192.07793	3.2
193.08557	2.5
205.08589	24.0
205.10419	2.1
209.08081	67.7
217.08560	8.9
224.64630	1.4
230.98193	1.6
235.09674	9.1
309.11276	1.8
313.55746	1.5
341.13812	4.2
343.15582	1.6
353.13715	4.7
359.14810	2.1
371.14865	5.0
389.15356	2.0
416.74817	1.7
465.15698	1.5
466.77017	1.4
497.74731	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31375	1.5
53.90856	1.4
57.35875	1.6
59.83123	1.4
62.15908	1.6
69.03428	3.3
69.47323	7.5
77.09837	1.5
79.05492	4.3
81.03411	2.8
85.02913	12.4
89.33392	1.4
91.05502	6.6
92.76640	1.9
95.04980	2.5
97.02905	3.5
103.05502	3.4
105.06987	2.2
107.04942	8.6
109.02934	1.5
115.05444	3.2
117.07032	4.7
119.04964	3.0
122.03628	7.4
124.05212	2.0
127.03890	2.5
128.06206	2.2
129.07007	3.3
131.04936	5.0
131.08560	4.8
137.05974	100.0
141.06941	2.2
144.05653	2.6
145.06476	6.5
149.05989	4.0
151.03882	2.8
151.07526	8.7
156.05714	8.0
157.06502	3.7
159.08060	6.7
160.05246	2.2
161.05977	4.1
163.07535	3.8
167.07036	22.9
167.08333	2.4
169.06546	2.2
170.07271	2.0
173.05983	9.9
174.06758	2.3
175.07574	14.0
177.05516	2.9
179.06993	2.7
181.08604	2.2
183.06560	1.5
184.05054	2.1
187.07526	15.5
188.08134	2.0
189.09167	3.8
190.06274	3.4
193.08592	5.4
199.07446	1.7
202.06262	3.6
205.08583	16.5
209.08025	3.1
215.07030	1.7
215.62776	1.7
217.08609	36.1
219.08133	3.5
219.10237	3.4
221.09636	2.8
231.08226	2.0
231.10225	9.2
233.09689	2.3
234.06866	2.0
235.07486	2.8
235.09671	4.3
241.08598	2.9
247.09729	10.7
248.08342	1.7
249.09091	7.3
251.07024	2.0
261.09167	5.4
263.07059	3.4
263.10693	2.9
265.10800	2.9
277.08578	5.4
278.09409	4.5
285.07666	6.1
289.08670	2.0
291.10172	4.8
293.08588	2.4
293.11667	3.9
294.08743	2.1
295.09851	1.8
300.09869	5.4
301.10641	2.9
306.08752	2.9
307.09677	2.1
308.07092	2.1
309.11276	5.0
313.10782	2.5
321.11160	5.1
323.09149	3.7
323.12796	3.2
326.11603	4.2
338.11411	3.0
341.13620	8.8
353.13849	28.2
355.15472	26.5
371.14905	31.8
382.26382	1.9
524.78094	2.0
550.38995	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	586.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	9.1
69.18412	16.5
69.18818	28.7
81.07050	12.1
89.06022	19.7
90.38642	6.4
91.05456	9.1
103.05449	7.8
105.03387	11.7
105.06996	41.3
109.10149	8.1
119.08566	13.3
124.03939	31.1
129.48837	7.1
133.08690	8.3
145.37129	7.6
149.02460	10.3
149.05968	34.4
156.88510	7.3
297.07397	15.1
341.10089	58.1
393.46115	7.5
443.45712	8.6
548.89630	7.8
586.29926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01867	5.6
55.05515	6.3
57.07079	3.5
65.03951	3.1
66.54679	2.6
67.05502	28.4
69.03439	6.5
69.07061	9.5
69.55915	10.1
71.04987	8.0
77.03912	6.0
79.05490	22.3
81.07043	27.3
83.04968	7.9
83.08593	4.9
85.02898	43.1
85.06521	6.2
87.04456	6.6
89.06065	6.8
91.05479	32.0
93.07032	21.5
95.04955	24.6
95.08608	33.2
97.02876	10.7
97.06493	6.2
103.05432	3.2
105.03390	66.7
105.04476	5.4
105.07017	64.5
106.07338	3.3
107.04942	2.6
107.08582	41.3
109.06501	13.6
109.10138	21.3
111.04433	9.1
111.08091	4.1
116.74654	2.9
117.07005	11.9
118.20199	2.4
119.06116	2.4
119.08569	65.3
121.06453	12.3
121.10123	21.2
123.08068	9.6
123.11707	6.4
125.06020	3.9
127.07549	7.1
128.06180	6.0
129.06984	9.8
130.07782	3.6
131.08572	26.6
132.97379	2.6
133.06477	7.9
133.08595	4.4
133.10117	35.1
135.08031	40.5
135.11673	4.3
136.06171	6.7
137.09601	7.0
139.01477	2.8
139.07532	4.8
141.05453	10.0
141.06934	7.1
142.07794	8.0
143.08556	26.3
144.09348	5.0
145.06421	3.4
145.10112	39.4
147.08054	10.8
147.11688	10.5
149.09576	17.7
150.09924	2.5
151.07532	4.0
153.07010	3.3
154.07785	2.9
155.07043	11.0
155.08562	18.9
156.09348	11.2
157.10104	36.9
158.10822	4.6
159.08049	7.6
159.11670	46.1
161.09619	14.8
161.11325	2.4
161.13211	12.8
163.07555	8.1
163.11165	6.3
164.11751	2.4
165.09116	8.1
167.08600	3.8
167.10657	4.3
168.09329	3.7
169.10101	32.2
170.10919	10.2
171.11699	35.2
173.09637	10.0
173.13249	31.7
174.14116	4.4
175.11194	11.4
175.14821	7.7
177.09053	13.2
177.12735	8.1
179.08569	6.2
181.10118	8.7
182.10902	4.8
183.11671	29.2
184.12328	3.7
185.09607	5.2
185.13229	29.7
187.11174	15.3
187.14787	19.8
188.11865	2.9
189.09058	4.2
189.12794	4.7
191.10582	6.1
192.09322	2.5
193.10104	8.1
193.11853	3.1
193.82988	2.6
194.10938	4.6
195.08443	2.6
195.10143	9.8
195.11720	14.1
196.12509	4.8
197.09575	7.6
197.13277	16.3
199.11179	4.7
199.14854	6.2
201.12738	11.0
201.16425	8.2
202.13577	3.2
203.10753	3.3
203.14308	8.0
205.10129	4.3
205.12134	4.2
207.11697	6.6
209.13243	19.7
210.13954	4.7
211.11162	7.6
211.14824	25.5
213.08997	4.1
213.12755	4.5
215.10689	10.0
215.14299	2.8
217.12209	6.2
219.10017	5.9
219.11882	5.3
219.13824	5.1
220.12482	12.5
221.13298	5.9
221.15399	7.5
223.14822	8.7
225.12880	3.5
225.16319	23.6
227.14310	5.6
229.12244	6.1
229.15828	10.5
234.14136	3.2
235.14781	22.1
237.12941	2.9
238.13615	2.9
239.10596	3.5
239.17989	5.0
243.13728	3.1
243.17456	5.2
245.15292	3.1
247.16933	28.8
249.16336	8.2
253.15834	19.3
255.13785	6.7
257.18887	4.9
267.17453	12.4
269.18903	3.8
271.16873	30.7
273.14847	8.6
277.15942	5.7
285.18442	32.1
289.18124	16.3
295.16940	28.0
303.19608	32.0
313.17969	92.0
331.19012	100.0
332.19284	3.1
349.20056	4.5
453.22610	9.5
586.29767	19.8
587.22095	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	586.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.05502	4.4
57.71447	0.8
59.04991	1.8
60.04512	1.0
60.90557	0.8
62.06084	100.0
65.03926	1.0
66.98289	0.8
67.05499	12.6
69.03423	4.6
69.07067	3.2
71.04986	3.6
73.02927	1.6
79.05483	12.8
81.03423	2.8
81.07043	10.1
83.08595	1.5
85.02912	4.6
87.00832	2.2
87.04478	2.9
89.06041	3.2
91.05479	10.5
93.07046	13.8
95.04926	1.5
95.08588	8.5
97.02872	1.1
97.06500	1.9
98.06051	1.9
99.04407	1.5
100.31255	0.8
103.05436	0.9
103.07549	1.3
105.01868	1.5
105.07021	11.2
107.08585	7.6
109.02871	3.0
109.06530	1.6
109.10133	3.9
111.08080	1.0
117.07007	1.9
119.08577	7.8
121.02872	0.9
121.04620	1.0
121.10130	8.7
123.11693	1.5
124.03943	21.1
127.01534	1.1
127.03918	2.9
129.06992	1.2
131.08556	3.6
132.46281	0.9
133.10115	7.8
135.08095	1.0
135.11678	5.7
138.05492	1.2
139.16702	0.9
143.08586	1.9
145.04988	1.1
145.10123	3.4
147.11673	4.3
149.09613	1.3
149.13258	2.4
153.03111	2.2
157.10150	1.7
159.11693	2.6
161.13219	4.4
163.14795	1.4
166.47678	0.8
171.11685	2.3
172.13332	1.0
172.26122	0.8
173.13263	1.8
175.14816	2.3
185.13174	1.4
189.52875	0.9
223.26802	0.9
241.19579	1.1
259.20505	4.1
268.22552	4.3
302.24643	1.9
303.23126	2.8
308.25729	4.3
320.25793	22.4
338.22781	1.9
338.26855	37.6
339.27557	1.0
343.99191	1.1
359.70743	0.9
368.08804	0.7
495.17307	1.2
568.21533	1.1
586.27313	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	586.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
57.07076	37.0
63.51035	1.2
65.40139	1.1
69.07070	2.6
69.80486	1.2
71.08627	20.8
73.06551	8.2
78.87330	1.1
83.08627	2.1
85.10175	20.6
87.04469	11.3
88.62299	1.3
89.06030	100.0
94.61852	1.1
97.10158	3.6
99.11720	3.4
105.07021	5.3
107.07053	1.9
117.09158	7.3
131.04993	1.9
131.07091	1.6
133.08600	52.6
142.80133	1.3
144.04269	1.2
155.17952	3.4
161.11758	1.8
177.11240	16.9
179.28105	1.3
199.20534	3.8
221.13866	3.1
243.23233	6.8
283.17438	1.3
287.25772	3.7
315.02277	2.5
341.10236	1.8
415.25388	3.2
541.83038	1.4
544.57031	1.4
569.42316	4.5
586.43848	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	587.07
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
58.02298	0.2
62.32763	0.2
69.03436	0.2
69.07872	1.2
69.08281	0.4
69.65357	0.2
70.06573	0.3
71.01359	0.3
73.02905	0.6
79.05502	0.2
85.02891	1.4
101.02377	0.4
104.27657	0.2
107.04949	0.6
108.02071	0.3
113.02354	0.4
127.03919	0.3
131.04916	0.4
134.03651	1.2
135.04405	0.5
136.01546	0.5
137.02295	0.8
137.06134	0.3
141.01819	0.3
147.04440	0.2
151.03922	0.2
152.01048	0.6
153.01820	0.9
154.02608	0.6
161.02356	0.5
163.03967	0.3
165.01877	0.3
170.02150	0.5
173.02338	0.2
178.02609	0.7
181.01328	0.9
182.02084	1.4
197.04448	6.0
198.01591	0.6
200.03178	0.2
202.02802	0.3
214.06149	0.3
218.13506	0.2
242.05710	0.6
252.04140	0.4
253.04848	0.2
269.04398	2.0
270.05209	10.2
271.05713	0.5
273.04010	0.6
285.03815	1.0
286.04630	0.5
287.05438	5.8
297.03943	2.1
298.01331	0.3
298.04715	6.2
299.05472	1.5
301.03455	0.3
309.03925	1.6
311.05521	0.3
315.04956	6.0
316.05762	10.6
323.05493	0.3
325.03354	0.9
326.04193	0.9
331.08090	100.0
332.08481	3.2
341.06528	2.6
343.08237	0.3
355.08151	0.8
406.05017	0.3
411.03601	0.4
489.10193	0.6
507.11218	4.9
587.06946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0815
Annotation	Bartramiaflavone
Peak:m/z	Relative Intensity
53.00289	0.2
55.01873	0.9
57.03424	0.3
65.03933	2.5
67.01855	0.3
68.99423	0.2
68.99786	2.7
69.03423	0.2
70.06589	0.5
71.01352	1.3
72.08121	0.4
73.02900	0.3
76.58191	0.2
78.22313	0.2
78.75710	0.2
79.01871	0.2
81.03412	0.3
81.07021	0.2
84.08148	0.2
85.02903	1.0
86.09697	0.4
88.79291	0.2
89.03895	0.3
91.05497	0.6
92.99801	0.3
95.01321	2.2
95.04964	0.3
95.08620	0.3
97.02892	0.2
97.06526	0.2
99.00813	0.4
103.05453	0.2
105.06951	0.2
107.08598	0.3
111.04437	2.4
113.02383	1.4
115.05428	0.2
117.03426	0.3
119.04941	0.6
119.08624	0.3
120.08867	0.2
121.02858	46.7
121.03937	3.5
122.03196	0.7
123.00783	3.8
133.06520	0.2
137.05971	0.6
141.01822	2.3
145.01378	0.2
145.02798	1.0
145.10065	0.2
146.10555	0.2
147.04390	0.9
149.05980	0.8
151.00266	0.8
153.01811	0.5
159.04425	0.3
161.05971	0.3
163.03941	0.8
169.01312	22.1
170.01643	0.4
171.04338	0.9
173.06026	0.2
174.03127	0.2
175.03914	0.5
175.07535	0.3
177.05469	0.3
187.02382	7.6
187.03877	0.9
189.05437	0.3
191.06895	0.2
199.03900	1.6
201.01955	0.2
203.03387	1.4
204.05804	0.2
209.02342	0.3
211.03908	0.4
213.05406	0.4
215.03371	2.6
216.03996	0.3
217.05058	0.3
219.08096	0.3
221.06091	0.3
225.05281	0.2
227.03343	3.9
228.04074	0.2
229.05005	0.5
231.02878	0.3
236.08400	0.3
239.03389	0.4
243.02937	0.3
245.04369	1.1
247.07539	0.9
248.08423	0.2
249.05507	0.5
253.02658	0.2
253.04926	1.1
255.02850	4.4
255.05519	0.2
256.03577	0.3
257.04446	0.7
259.02414	0.3
264.07733	1.1
271.02377	1.4
273.03885	3.8
274.04422	0.3
277.05154	0.3
279.02774	0.2
279.10178	1.6
281.04379	0.9
283.02347	2.8
284.03058	0.3
285.03964	0.4
286.01318	0.2
286.04752	0.5
289.08481	0.2
293.04437	0.3
299.01898	0.8
299.05118	0.3
300.02536	0.4
301.03400	7.0
301.21753	0.3
302.04105	0.2
302.21994	0.7
303.01398	0.7
307.09613	1.2
309.03909	0.6
310.11856	0.3
311.05145	0.2
313.03458	0.3
321.04022	0.9
323.05536	0.2
327.01392	1.3
337.03403	0.4
339.05115	0.4
339.12402	0.5
345.07828	0.3
351.04984	0.7
353.03003	0.2
367.04608	0.2
373.07123	0.8
374.08078	0.3
377.02692	0.5
377.06790	0.4
379.04367	0.7
383.11163	0.2
389.06616	0.4
391.08243	0.4
395.03983	0.3
401.06525	0.5
402.07285	0.5
403.08261	0.9
405.01996	2.4
405.07037	0.3
417.05966	0.3
418.06808	1.8
419.07571	51.4
420.07999	2.6
421.05768	0.6
423.03415	1.1
425.05014	0.5
429.06247	0.3
435.06793	0.2
441.05960	0.4
445.05475	6.5
446.05838	0.4
451.03226	0.7
523.06561	0.4
524.41864	0.2
551.06000	0.8
569.07233	0.5
587.08130	100.0
588.08490	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	587.0817
Annotation	Bartramiaflavone
Peak:m/z	Relative Intensity
52.15725	0.3
53.03949	0.5
55.01859	1.0
67.01857	6.3
67.05499	0.3
68.99776	4.1
69.03428	0.9
69.07059	0.3
70.06595	1.2
70.48212	0.6
79.01861	0.3
81.03400	3.7
81.07038	0.3
83.01339	0.5
85.02873	0.4
86.09710	0.9
91.05495	0.3
93.07010	0.3
95.08612	0.3
97.02888	0.8
101.85554	0.3
105.07022	0.5
107.01323	0.7
108.11882	0.3
109.02877	1.1
109.10126	0.3
111.00784	1.1
111.04436	0.3
121.02859	3.0
121.10104	0.3
125.02338	0.7
127.03904	2.8
129.01854	0.3
131.08531	0.3
133.10109	0.3
135.04443	0.5
137.02344	43.5
137.03455	6.9
138.02686	0.6
147.04399	0.6
153.01807	22.5
154.02126	0.3
157.10065	0.3
161.02397	0.7
163.03918	0.4
169.01346	0.8
171.02902	6.3
171.04425	1.5
172.25320	0.3
177.05379	0.3
183.93993	0.3
187.03931	0.7
199.03824	2.4
203.03384	1.4
209.02336	0.4
215.03368	3.0
224.21420	0.3
227.03310	4.2
229.04996	0.7
239.03398	0.3
243.02887	0.4
245.04434	1.6
253.04996	1.0
255.02829	5.8
257.04459	0.9
271.02350	1.6
271.05353	0.4
273.03931	4.7
281.04391	1.6
283.02396	2.8
285.22137	0.6
286.04648	0.3
295.05978	0.3
297.03839	0.7
299.01923	0.6
299.05511	0.8
301.03375	8.3
302.03986	0.4
303.23187	0.5
305.04602	0.5
309.03909	0.3
323.02020	0.4
323.05453	0.4
327.01413	1.4
335.05530	0.4
361.03278	0.5
363.05081	0.5
378.27893	0.4
379.04266	0.6
379.08505	0.4
389.06659	1.0
393.06161	0.6
405.06293	0.5
407.03717	0.8
407.08154	0.6
409.06262	0.4
417.06342	0.6
418.06747	0.4
419.07605	0.4
420.04755	0.3
433.05505	0.4
435.07083	66.2
436.07397	3.5
461.04984	7.3
461.10004	0.2
462.05524	0.3
495.06958	0.3
569.06757	0.4
587.08099	100.0
588.08490	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	587.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81060	0.9
53.91509	0.9
55.56302	0.7
68.05821	0.8
68.99770	1.0
69.03402	1.1
78.21375	0.9
81.03402	1.7
85.02876	3.1
91.05462	1.4
91.89481	0.8
96.04494	22.9
97.04789	3.1
103.05447	3.0
105.03365	3.8
127.03884	1.4
131.04893	7.0
132.05194	1.5
133.82578	0.8
153.22940	1.0
156.68968	0.9
169.01280	3.2
178.01306	2.4
181.01320	1.0
188.04321	0.9
207.09456	0.8
208.11229	1.1
212.07022	1.2
243.13480	0.9
244.10333	1.0
256.06046	0.9
270.05273	8.9
271.05597	1.3
277.04742	12.4
285.07553	11.6
286.07675	1.6
289.00964	2.7
296.05469	1.8
297.05746	2.5
304.03290	1.6
317.04178	2.4
347.01865	1.2
413.05893	2.7
441.05960	1.8
448.49371	1.0
457.06357	1.3
467.03528	1.1
482.07266	1.6
485.05710	3.0
497.05930	3.2
500.08588	2.0
501.05392	2.4
511.07700	1.3
513.05762	4.4
515.10712	1.2
524.08075	1.6
525.05487	3.6
527.06848	1.1
528.07776	3.4
529.05151	19.7
530.05243	1.4
541.04926	3.7
543.10535	10.6
544.07538	8.6
555.06793	6.7
556.07642	19.5
557.07465	4.2
559.09973	100.0
560.10431	5.5
572.06445	2.5
586.13141	1.2
587.09052	60.0
588.09314	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	587.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49292	0.2
64.45698	0.2
67.95074	0.2
68.99784	0.6
69.83019	0.7
77.03920	0.4
81.03426	0.2
81.07017	0.3
85.02901	0.3
91.05471	0.2
95.04975	1.8
96.04485	0.4
98.23397	0.4
103.05474	2.5
105.03387	7.6
105.04491	0.6
105.07026	0.5
112.01572	0.3
131.04910	6.1
147.04410	1.0
163.03941	0.3
168.00520	1.8
169.01254	0.3
173.05966	0.2
175.03870	0.4
181.01352	0.3
182.89885	0.2
183.02890	4.9
183.04395	0.4
185.00833	0.3
186.01602	1.5
187.03940	0.6
189.01834	0.5
199.02235	0.3
203.03377	1.3
205.01387	0.3
211.03886	0.3
213.01816	1.3
213.05330	0.3
215.03413	0.4
227.03392	0.5
229.05028	0.6
231.02884	2.5
233.00760	0.3
239.03413	0.7
241.01363	1.4
241.04958	0.3
243.02876	0.5
255.02852	0.4
257.00815	0.5
257.04422	1.0
259.02341	3.4
269.00644	0.2
270.05533	0.3
271.05859	0.4
273.03955	1.2
285.03912	2.7
285.22537	0.4
287.01852	12.5
315.06039	0.5
333.07349	0.5
343.01218	0.2
343.05969	0.9
357.07565	0.5
360.06604	0.3
361.01962	0.3
361.06772	0.4
366.69711	0.3
369.07199	0.3
371.05530	0.5
388.05524	0.4
389.06509	100.0
390.06879	5.3
405.09683	5.9
431.07794	0.4
433.05469	0.5
451.06616	0.5
537.11609	0.6
587.11615	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	587.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21507	0.3
53.03930	0.4
55.01864	0.4
57.05462	0.3
59.70507	0.3
63.12442	0.3
68.99790	2.1
69.03434	0.3
70.04828	1.0
70.06554	0.4
81.03454	0.4
83.01303	0.5
91.05484	0.9
95.04953	1.8
103.05463	4.0
105.03384	7.9
105.04512	0.9
105.07040	0.4
105.67574	0.3
107.08578	0.4
107.48717	0.3
109.02884	0.4
112.01496	0.4
122.45640	0.3
126.68624	0.4
131.04926	7.6
132.05255	0.9
135.04335	0.5
140.00981	0.3
147.04419	1.3
149.02368	0.4
162.71651	0.3
163.03900	0.4
166.01338	0.4
167.02077	0.8
167.03372	0.4
168.00548	2.5
169.01382	1.8
180.02913	1.0
181.01437	0.5
183.02888	6.4
183.04385	0.7
185.00772	1.3
186.01593	1.5
187.03780	0.8
195.02872	1.1
195.04582	0.3
199.02359	0.9
203.03410	1.5
207.02885	0.4
211.02344	0.6
211.04033	0.7
213.01811	1.8
215.03337	0.6
217.01318	0.5
221.00859	0.5
227.03419	0.8
229.04982	0.9
231.02824	2.6
239.03325	0.8
241.01347	1.3
241.05176	0.4
255.02832	0.4
257.00815	0.5
257.04437	1.8
259.02408	3.9
267.03027	0.5
269.01773	0.4
269.04355	1.6
270.04913	0.4
271.05981	1.3
272.08963	0.6
273.03949	2.1
273.07574	1.1
275.01910	0.4
283.05902	0.4
284.09052	0.5
285.03928	2.9
285.09494	0.3
287.01834	11.6
287.06726	0.4
288.01813	0.6
297.04001	0.7
315.01425	0.5
315.06155	0.4
316.11786	1.2
317.02686	0.4
317.12045	0.7
329.07996	0.4
333.07507	0.7
343.00848	1.4
343.05899	0.8
357.07523	0.7
389.06503	100.0
390.06842	5.7
403.08423	0.5
405.09698	6.4
406.09906	0.6
431.07504	0.9
447.07169	2.8
465.08432	1.0
483.05179	0.5
523.09912	0.4
534.08887	0.5
551.13019	1.3
552.08868	0.7
587.11798	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	587.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42694	0.5
53.03936	0.6
55.01863	1.0
57.03434	1.0
60.18876	0.4
61.02914	0.7
67.05499	0.4
68.99780	0.5
69.03422	4.0
72.71571	0.4
73.02905	1.5
73.54987	0.5
77.93659	0.4
81.03411	4.2
85.02897	8.6
86.68275	0.4
87.00845	2.2
91.05453	0.5
95.04978	0.5
97.02869	3.1
99.04433	1.8
105.01855	3.0
109.02872	3.7
113.12444	0.4
115.03925	0.4
115.05405	0.5
119.04948	0.6
121.02820	1.0
127.03904	7.6
129.01810	0.9
131.04904	0.5
137.05954	3.6
141.06996	1.4
142.07309	0.6
145.04916	2.5
145.12230	1.2
147.02882	0.7
147.04399	0.9
153.01855	0.6
155.04933	1.2
159.02852	3.0
161.05981	0.8
172.05147	1.0
181.04895	0.6
183.04439	0.6
187.07555	1.8
189.06932	3.3
190.07750	2.5
191.08517	1.1
201.06990	1.6
202.07791	1.0
202.80360	0.5
203.08565	1.0
205.06461	1.1
206.07259	0.9
207.08121	2.4
215.06883	0.7
215.08688	0.5
217.06503	3.2
218.07260	11.1
219.08003	2.9
220.08495	0.5
221.09662	0.7
223.07651	0.6
229.06445	9.6
230.07214	2.8
231.04977	1.3
231.08052	2.0
232.08655	0.5
233.06029	0.9
233.09610	2.4
234.06738	5.7
235.07507	7.8
236.08138	0.7
243.08072	0.8
245.06030	2.8
246.06729	17.2
247.07550	6.7
248.08231	1.1
249.09116	6.8
250.09814	2.2
251.07001	2.6
257.05911	6.1
258.06729	4.3
259.07471	3.4
260.08322	1.1
261.09088	31.6
262.06259	4.0
262.09738	1.8
263.07016	7.5
264.07550	0.7
265.08600	2.7
266.09360	0.5
272.08209	0.7
273.05508	1.5
273.09003	1.4
274.06210	10.9
275.06961	6.4
276.07736	1.2
277.08572	17.9
278.09332	10.7
279.06458	2.2
279.10065	1.2
288.07852	1.2
289.08548	32.1
290.09317	11.2
291.06485	5.3
291.10107	1.9
292.07257	0.9
293.08371	0.6
293.11661	2.9
294.08829	7.8
303.10138	0.6
305.08041	1.5
306.08826	17.7
307.09555	3.0
308.10223	0.7
309.11182	29.3
311.12817	0.5
321.11179	100.0
322.11520	2.5
333.11142	0.7
339.12271	4.0
351.12161	0.9
398.80801	0.5
405.06158	0.8
413.75519	0.5
491.20804	1.0
513.17999	0.8
587.08008	1.2
587.20447	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	587.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15300	0.2
61.52105	0.2
67.05493	0.5
69.53548	1.2
69.62458	0.3
78.03463	0.6
79.04234	0.3
80.05022	2.7
81.07056	0.4
91.05478	0.5
96.04501	2.1
97.02881	0.3
105.06985	0.4
119.08547	1.6
124.03944	100.0
125.04288	1.0
127.01582	0.4
155.07027	0.4
157.10085	0.4
159.11728	0.4
171.11690	0.4
173.13271	0.6
185.13251	0.3
197.13260	0.7
201.70149	0.2
209.13319	0.3
211.14816	0.3
220.12454	0.6
224.84778	0.2
234.20633	0.2
235.14798	0.9
249.16295	0.4
267.16592	0.3
277.15839	0.3
295.16888	0.6
313.17963	2.7
514.24207	1.0
529.66113	0.2
556.25244	2.4
587.24701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00983	1.3
55.01884	1.5
61.83066	1.4
65.57985	1.3
67.01865	4.7
67.05534	2.1
68.99799	3.4
69.03427	1.7
69.26843	3.6
69.27220	2.8
76.86592	1.2
79.05479	2.7
80.42744	1.5
81.03400	7.4
81.07064	4.8
85.02901	3.5
86.09696	1.9
91.05469	2.1
93.07038	5.4
95.04941	1.4
95.08601	4.5
97.02870	1.6
103.89466	1.4
105.07057	4.1
107.08609	1.7
107.88602	1.4
109.02897	2.3
109.06380	1.3
109.10184	1.9
119.08584	4.4
121.02859	9.8
121.10158	3.2
124.73873	1.3
127.03900	3.2
131.08572	1.7
133.10147	3.5
135.11703	2.2
137.02357	35.3
137.03467	5.6
145.10141	2.9
147.11659	2.3
153.01831	20.8
157.10176	2.6
159.11697	4.1
161.13234	1.6
169.01334	2.4
171.02850	3.7
171.11635	2.3
173.13383	1.9
185.13295	1.9
197.13226	2.3
211.14897	1.9
215.03426	4.1
227.03381	4.7
249.57271	1.4
255.02960	5.1
267.21100	3.9
271.44730	1.5
273.03860	3.7
283.02515	2.1
285.22025	9.2
301.03482	5.9
303.23166	7.1
321.24429	3.0
327.01535	1.6
333.52954	1.4
335.05502	1.7
336.14764	1.6
419.07303	1.7
435.07111	53.3
436.07581	3.6
461.04929	5.2
587.08124	100.0
588.08221	11.2
614.68958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56453	0.3
61.18115	0.3
61.20354	0.4
65.03947	0.7
67.05487	0.5
69.03432	1.4
69.84096	0.3
71.40811	0.4
78.03458	0.6
81.03431	0.5
81.07092	0.4
85.02912	3.8
87.04478	0.4
90.03448	0.7
95.04972	0.8
97.02893	100.0
97.67771	0.4
98.03221	0.9
99.00017	0.4
103.05488	0.5
107.04906	0.4
108.02097	1.2
109.02878	0.9
111.04456	0.7
115.37476	0.3
126.01069	16.3
126.05538	1.6
127.01875	0.8
127.03937	0.6
131.04980	0.6
133.56464	0.3
135.04372	0.6
137.05974	1.1
141.05473	1.0
144.02113	48.8
149.94101	0.3
151.03912	38.3
151.05023	3.7
163.03937	1.9
181.04959	8.4
186.03172	0.4
191.07137	0.9
203.03462	0.4
219.06505	2.4
247.06015	18.2
256.54282	0.4
265.07080	10.2
272.24582	0.3
283.08099	1.6
288.06210	0.5
306.07379	13.1
511.19345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01900	2.0
53.03944	1.6
53.18790	1.5
68.99793	4.0
71.43938	1.8
77.03896	1.6
81.33871	1.5
87.20613	1.3
91.05459	8.3
92.01350	1.9
95.04967	7.9
103.05458	32.6
105.02682	2.9
105.03386	47.3
105.04508	2.9
105.07042	2.5
115.05412	9.0
119.04955	4.5
121.06469	3.6
122.02401	2.4
128.06172	3.1
129.07011	7.1
131.04915	71.6
132.05299	1.9
136.03891	1.9
138.01868	6.7
139.05417	3.7
141.06982	18.6
145.06407	2.1
147.04395	18.2
148.00287	5.3
150.01851	2.6
155.04837	4.1
157.06491	12.1
159.07982	1.7
166.01329	9.5
167.02211	1.3
167.04912	3.2
168.02885	2.3
169.06514	9.5
170.07289	4.4
171.04411	2.2
173.05959	2.2
175.02670	3.2
176.03455	2.0
178.01360	19.7
183.04367	1.7
184.02403	1.8
184.07426	4.0
184.31720	1.6
185.03267	1.6
185.05981	5.2
188.03403	2.0
190.01398	2.7
191.02104	2.0
192.02914	5.5
195.04367	10.3
196.07465	2.2
197.05968	22.3
200.03300	2.2
202.01338	3.5
204.02878	2.5
205.04945	2.1
208.02365	4.1
211.09570	1.6
212.07437	1.8
215.07010	44.4
216.08099	1.6
217.03555	1.6
217.08763	2.0
218.00909	2.8
220.02440	5.3
222.00352	2.4
223.03906	14.7
224.06949	2.4
225.05466	3.4
228.02977	5.9
229.03702	1.9
230.00809	1.9
232.02466	2.4
236.01981	2.0
236.07164	2.7
237.02785	1.8
239.03461	3.2
241.04988	3.3
242.08157	4.9
244.02379	3.0
246.00342	12.9
246.04074	3.0
248.07037	1.8
249.99794	7.7
250.05011	2.1
255.01559	2.0
256.02350	16.5
260.01889	3.5
260.07095	1.9
264.06845	2.8
268.00858	38.3
270.07651	4.5
272.01953	4.6
273.02667	7.1
274.03406	26.0
276.06470	2.4
278.08090	2.8
282.07593	12.1
288.06680	2.2
292.05954	3.2
298.06973	2.8
300.01437	9.2
301.01987	2.3
301.99390	1.9
304.00726	2.4
304.06073	5.5
306.07562	5.5
314.02960	4.5
316.06015	8.0
318.02466	3.5
318.07498	1.6
324.08569	3.2
332.05380	6.8
334.07196	10.3
338.06442	2.0
342.02454	3.7
344.05396	8.1
350.06531	6.9
354.06091	20.1
360.03937	15.3
360.08765	9.5
361.09357	2.3
362.06561	13.2
377.08923	14.2
378.05203	2.8
378.09586	8.5
388.04431	13.9
390.06033	2.5
406.05823	3.6
406.11020	1.6
410.13834	2.8
418.09106	2.3
422.08701	3.2
434.05023	2.5
436.11661	2.4
438.13297	5.7
446.08597	5.9
448.11911	3.5
464.09933	19.6
466.12845	100.0
467.13223	4.9
482.11459	1.8
492.10757	48.1
493.11044	3.3
494.12271	3.5
510.11935	3.4
520.10870	2.3
538.11548	7.7
556.12500	5.1
570.14374	2.1
588.14722	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	588.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72375	1.1
52.01900	2.4
54.82278	1.0
61.20198	1.1
61.80835	1.2
64.99051	1.1
68.99781	12.1
69.41310	2.1
69.41722	4.1
70.06576	1.3
70.73000	1.1
77.61969	1.0
83.96040	1.0
91.05481	4.3
92.99769	3.3
93.19408	1.1
95.04962	1.5
96.71584	1.0
102.78992	1.1
103.05466	40.9
104.01382	1.5
105.04477	1.1
106.79745	1.1
107.04958	1.7
107.52418	1.2
111.05109	1.3
112.39787	1.1
115.00551	1.2
115.05425	2.1
118.29431	1.2
129.06941	1.4
131.04924	100.0
132.05254	2.6
133.18712	1.2
138.01865	4.3
140.03352	1.1
148.00317	4.9
152.03427	1.5
154.01364	3.6
156.02911	1.5
166.01360	6.2
167.02066	1.3
168.02942	1.9
171.04309	1.2
176.03424	1.9
178.01352	55.2
185.03212	2.0
204.02927	1.3
206.00839	1.2
212.07037	1.6
219.26903	1.1
222.00244	5.5
222.05478	1.3
224.07227	1.2
240.01392	3.3
246.00255	1.7
249.99792	7.7
264.01480	1.9
266.02890	2.3
268.00864	24.2
268.03476	2.2
270.07599	3.7
271.08389	3.0
272.09073	1.5
276.01544	1.5
282.02618	2.4
282.07605	35.3
301.99268	24.4
302.02670	1.7
308.05368	1.7
320.00293	10.7
326.06613	2.7
329.00208	1.6
334.07358	1.2
336.01251	1.6
336.04968	2.4
350.06555	1.5
352.08035	4.6
354.02350	1.5
354.06091	14.9
368.07806	3.2
380.07611	3.5
397.99738	1.7
406.00433	2.1
406.05566	31.0
410.09201	1.7
414.13248	5.6
422.08881	1.9
424.06454	4.1
438.08218	19.1
438.13809	2.4
440.11523	2.2
464.09790	2.1
466.07458	4.3
466.13120	2.7
484.13699	10.5
502.05792	1.5
552.12708	3.2
570.13837	1.4
588.16974	1.8
589.16180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
51.11766	0.3
53.03938	1.7
55.01869	0.5
55.05507	1.0
57.03443	0.4
67.05492	1.0
69.03420	2.0
69.07086	0.4
70.26922	0.8
71.05005	0.4
72.46577	0.3
75.64416	0.3
78.03453	1.7
79.05471	0.8
80.05012	5.0
81.03415	14.0
81.07046	1.1
83.04959	1.2
85.02883	0.4
87.04459	0.9
89.06025	0.7
91.05490	2.1
93.07042	1.5
95.04961	0.9
95.08601	1.4
96.04069	0.3
96.04507	4.0
97.02884	1.2
97.96104	0.3
99.04424	1.0
105.07036	3.5
106.02906	4.1
107.04937	0.4
107.08619	1.3
109.02873	6.9
109.03550	0.6
109.06508	0.4
109.10178	0.8
111.04445	0.8
115.05524	0.4
115.08529	0.4
115.58101	0.4
117.06992	2.3
119.04922	0.5
119.08572	2.9
121.10151	0.9
123.08058	0.4
124.03947	100.0
125.04295	1.3
125.05943	0.5
127.03938	3.9
128.06154	0.8
129.06995	1.3
131.04996	0.5
131.08551	3.1
133.06491	0.5
133.10106	0.9
135.08038	0.8
137.05899	0.5
138.05522	1.5
141.06976	0.8
142.07765	0.9
143.08534	2.2
145.06464	0.6
145.10138	3.6
147.04402	0.7
147.08041	0.5
147.11725	0.5
153.03076	0.5
155.08556	1.0
156.09360	1.3
157.06435	0.4
157.10114	3.0
158.10800	0.4
159.11620	2.1
161.09587	1.0
161.13257	0.8
163.11119	0.4
167.08569	0.6
168.09265	0.5
169.10150	0.9
171.08075	0.6
171.11667	2.7
173.09653	1.1
173.13248	7.8
175.14793	0.7
179.08623	0.6
181.10114	0.8
183.11633	1.1
185.09714	0.4
185.13258	1.0
187.11200	1.0
189.12730	2.4
191.10640	0.4
192.09264	0.4
193.10011	0.7
195.11687	0.9
195.99243	0.4
197.09660	0.6
197.13258	0.4
199.11137	0.6
201.12743	1.7
203.14345	0.4
203.47716	0.4
205.10072	0.5
213.12714	0.4
217.12256	1.5
219.13774	1.9
221.13368	0.4
223.14488	0.4
225.12712	0.6
231.13844	0.9
235.11105	0.5
235.14848	0.5
250.07149	3.0
250.09494	0.6
253.15868	0.7
263.14224	0.6
271.13324	0.6
273.67447	0.4
281.15280	1.1
287.05447	0.6
299.16492	1.3
309.14801	0.7
327.15787	1.3
345.16809	0.6
353.46121	0.4
450.19226	0.4
468.20337	1.3
479.16644	0.9
486.21191	0.7
528.22070	0.4
588.24463	1.3
589.34351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
54.27070	0.3
55.05494	0.9
59.04993	0.7
66.81609	0.4
67.05492	1.4
69.03407	0.5
69.07065	0.5
71.04976	0.3
75.34541	0.3
78.03446	1.1
79.05479	1.0
80.05004	4.8
81.03403	1.1
81.07048	2.5
83.04967	3.0
83.08586	0.5
85.06486	0.5
87.04449	0.4
89.05991	0.4
90.53905	0.3
91.05457	1.8
93.07030	2.1
95.04971	1.8
95.08609	1.1
96.04488	4.1
97.02860	1.7
100.18629	0.3
101.02354	0.6
105.03362	0.8
105.07017	2.9
106.02883	0.7
107.08612	1.6
109.06512	1.4
109.10135	0.5
111.04414	1.4
115.03915	0.3
117.06966	0.8
119.08588	4.5
121.06483	0.4
121.10106	0.9
121.94118	0.3
123.08033	0.3
124.03940	100.0
125.04282	1.1
125.05960	0.4
128.06151	0.4
129.05496	0.4
129.06996	0.7
130.07780	0.4
131.08562	1.5
133.06519	0.4
133.10124	2.1
135.08035	1.3
137.05992	0.4
138.05499	0.9
141.05441	0.8
141.06960	0.4
142.07808	0.7
143.07021	1.4
143.08574	1.6
145.10124	1.9
147.08040	0.7
147.11668	0.5
149.09590	0.4
155.07004	1.4
155.08553	1.3
156.09300	1.3
157.10110	2.9
158.10857	0.4
159.08003	0.5
159.11668	2.0
161.08080	0.9
161.09651	0.8
165.07001	0.5
167.07121	0.3
167.08560	0.9
168.09410	0.4
169.08745	0.5
169.10121	3.0
170.10855	1.9
171.11644	2.5
173.09631	0.7
173.13316	2.1
175.11121	0.4
177.12752	0.4
179.08516	0.9
181.10085	1.4
182.10922	0.7
183.11722	2.8
184.07355	0.7
184.12479	0.5
185.09496	0.4
185.13184	2.3
186.10370	0.5
187.09686	0.4
187.14853	0.7
191.14264	0.5
192.09225	0.5
192.11310	0.3
193.10124	1.7
194.10875	0.7
195.11664	2.3
196.12404	0.7
197.09732	0.4
197.13245	5.8
199.11089	0.7
201.12730	4.9
205.10181	0.8
206.10945	0.6
207.11726	1.8
208.12399	0.6
209.13226	2.8
211.11186	0.6
211.14796	3.5
213.12724	0.5
213.16307	0.4
214.17986	0.5
215.14339	0.5
219.11664	0.6
220.12469	2.5
221.13258	0.8
223.14824	1.5
225.12863	0.7
225.16365	2.0
234.13972	1.0
235.14801	5.5
236.15280	0.3
237.12733	0.4
239.17947	0.7
243.13812	0.3
249.16360	2.7
251.14264	0.8
253.15852	3.3
258.94595	0.4
262.13510	0.3
267.17419	1.7
269.15414	0.6
271.16919	0.9
277.15784	1.0
285.18515	0.9
295.16959	3.4
299.20099	0.7
309.18326	1.5
313.18002	3.2
327.19543	3.2
331.19012	0.7
345.20535	6.5
363.21747	1.5
450.22650	0.7
468.23914	0.7
528.26398	0.7
552.26868	0.4
588.27307	0.5
619.42328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78336	1.6
53.03961	1.4
54.97672	1.2
55.05494	3.7
60.49594	1.4
60.57217	1.2
65.03935	4.1
67.05504	17.9
69.03415	4.1
69.07071	3.2
69.25674	2.4
69.26081	5.4
71.04972	4.8
73.02903	3.1
79.05499	8.9
81.07040	14.5
83.04968	3.5
83.08651	1.5
87.04463	4.8
89.06035	9.6
91.05473	12.1
93.07052	10.3
93.48042	1.3
95.04954	8.1
95.08611	10.4
97.02895	11.3
97.06528	2.5
97.10122	1.4
98.04694	1.4
103.05463	2.9
105.07025	41.4
106.07314	1.9
107.08564	11.3
109.06524	5.0
109.10163	9.1
111.04443	6.3
111.08094	2.6
113.05984	2.4
117.07053	6.7
119.04955	1.6
119.08570	40.5
121.02871	28.2
121.06494	4.8
121.10140	5.9
122.50466	1.4
123.04423	2.7
123.08060	3.7
128.06253	2.3
129.07008	4.1
131.08571	12.3
133.06464	2.1
133.08583	5.5
133.10123	11.2
135.08061	9.8
135.11655	2.7
137.05988	3.4
137.09616	8.2
139.03906	5.8
139.07515	4.2
141.05473	7.2
141.06955	2.1
142.07829	3.3
143.08557	11.5
144.09369	1.8
145.10124	13.5
145.69440	1.2
147.08066	5.5
147.11705	1.7
149.09608	6.3
151.07556	2.0
152.16260	1.3
153.09068	2.1
154.07831	1.9
155.07022	17.5
155.08522	5.5
156.09348	4.2
157.10129	12.5
159.08054	2.0
159.11649	12.5
161.09596	4.7
163.07521	1.8
163.11160	2.2
165.09114	2.4
167.08553	3.0
169.10103	13.9
170.10886	4.9
171.11722	13.7
173.09592	4.7
173.13208	10.7
174.14032	1.9
175.11143	3.4
177.09105	2.6
177.12761	3.0
179.08548	1.7
179.10765	1.9
181.08574	7.2
181.10104	3.4
182.10831	1.5
183.10243	2.5
183.11668	11.2
184.12370	3.2
185.09601	4.4
185.13226	9.2
187.11153	4.5
187.14844	2.0
189.09100	2.1
191.10677	2.1
193.10136	5.6
194.10957	1.8
195.10133	2.0
195.11707	7.5
196.12402	3.5
197.09648	2.6
197.13239	22.3
198.13824	2.1
199.14867	3.6
201.12770	9.3
203.14282	5.0
205.10048	2.5
206.10887	1.9
207.11713	5.8
209.13216	7.1
211.11215	5.0
211.14789	9.8
215.14262	3.2
219.11752	3.1
219.13783	1.7
220.12469	14.9
221.13306	5.4
223.14691	2.3
225.12766	5.1
225.16336	9.6
231.17371	1.7
234.13979	3.1
235.14812	26.2
237.12723	1.5
239.17889	2.9
249.16426	8.0
251.14325	1.5
253.15877	10.6
255.13992	2.0
267.17474	7.1
271.16959	6.4
277.15747	3.0
285.18460	3.2
295.16898	21.3
303.19534	2.6
313.17953	100.0
314.18259	2.6
325.66318	1.5
331.19019	69.8
332.19391	2.1
349.19962	11.2
373.20090	14.1
391.20959	5.9
430.02759	1.6
513.57556	1.6
588.20685	2.1
588.27570	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	588.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.3
55.60077	1.2
57.02117	1.5
57.07074	16.7
59.05016	1.8
65.78209	1.6
67.05499	10.0
67.68556	1.6
69.03412	1.7
69.07056	6.3
69.26450	8.8
71.08621	20.6
73.02904	1.9
73.06544	4.7
77.03897	1.7
78.03451	6.5
79.05499	10.0
80.05010	3.4
81.07053	20.9
83.08626	2.6
87.04432	7.1
89.06028	56.9
91.05492	10.1
92.28763	1.3
92.82632	1.3
93.07040	12.4
95.04936	4.1
95.08060	2.3
95.08593	13.3
96.04503	3.2
97.06523	2.0
105.03386	10.8
105.04504	1.7
105.07011	17.7
106.02914	17.8
107.08589	11.9
108.04456	6.1
109.10136	5.0
113.13274	2.6
117.07022	8.2
117.09093	3.8
119.08588	17.0
121.10116	6.0
124.03947	100.0
125.04282	2.7
127.01563	3.2
128.06259	1.4
129.06985	5.5
131.07021	2.1
131.08565	13.1
133.08600	24.8
133.10089	10.1
135.11670	2.5
139.29326	1.6
142.07765	3.8
143.08560	8.2
145.10147	11.7
147.08052	2.5
147.11694	6.6
149.13298	2.1
155.07101	1.9
155.08557	6.0
156.09290	4.6
157.10147	10.8
157.15854	4.2
159.11671	11.3
161.09604	1.9
161.13210	2.6
169.10109	4.4
170.10852	4.1
171.11690	14.7
173.13268	5.5
175.11067	2.9
175.14864	4.8
177.11212	10.7
183.11662	5.7
184.07355	1.7
184.12369	2.3
185.13263	15.6
186.13953	2.2
187.14813	5.4
189.12668	1.7
197.13229	5.7
199.14824	8.6
201.18474	5.5
203.14325	2.5
209.13281	2.6
211.14754	4.2
213.16275	3.2
218.78020	1.5
221.13828	2.7
223.14815	2.1
225.16399	3.1
245.21133	5.8
251.14226	1.6
267.21063	4.6
285.22363	1.5
329.17502	2.3
358.19907	1.9
390.24176	4.9
408.25290	2.8
440.27786	4.7
450.26364	58.3
451.26468	3.5
468.27432	30.0
528.29523	13.6
571.40521	1.7
588.30725	6.1
589.25842	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	588.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59021	2.7
55.05510	4.9
57.07075	98.7
59.04988	6.0
67.05511	8.8
69.03423	4.0
69.07049	3.4
71.04990	3.7
73.02904	3.0
79.05505	11.6
81.07053	39.5
85.02901	6.8
85.06541	76.3
86.06887	2.7
87.00845	4.7
91.05486	16.9
93.07042	35.9
95.04963	3.5
95.08613	15.6
97.02885	5.5
97.06518	3.7
103.05428	3.8
103.58020	2.8
105.01871	6.0
105.07014	24.8
107.08592	55.5
109.02872	3.2
109.06557	3.1
109.10140	18.9
117.07024	8.6
119.08578	71.0
121.10127	6.2
123.11775	2.8
124.03934	18.8
127.03915	4.7
127.11227	4.1
131.08557	24.1
132.09363	2.8
133.10146	11.5
135.11691	36.4
138.05507	10.8
142.07765	2.9
143.08580	6.8
145.10121	34.9
147.04448	3.4
147.11653	8.6
151.11172	6.1
157.10150	9.6
159.11678	19.7
161.13301	7.2
171.11711	5.4
172.12492	4.5
185.13260	4.5
187.14816	100.0
188.15125	4.1
189.16534	6.3
201.16380	3.8
207.17360	3.2
213.16391	7.7
219.17471	12.1
231.04922	3.6
237.18472	37.7
269.22821	5.7
287.23508	14.4
347.97665	2.5
392.21613	2.9
451.83405	2.9
468.28940	3.4
588.11053	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58993	5.7
55.05495	16.4
58.04208	11.1
58.92192	5.4
59.04987	16.9
64.75790	5.7
67.05484	21.8
69.07063	22.2
71.04979	26.7
73.02918	40.9
73.06548	15.7
76.00795	6.3
79.05487	23.4
80.05518	9.6
80.67376	4.9
81.07050	98.9
83.08624	10.0
85.02889	10.3
87.04463	89.5
89.06029	74.2
91.05470	30.5
93.07050	52.7
95.04977	11.2
95.08611	43.2
95.39185	6.0
97.02902	8.3
97.10155	7.1
103.05425	6.7
103.07568	7.7
105.01877	8.7
105.07030	100.0
107.08595	61.7
109.10165	35.6
117.09173	7.2
119.08570	67.4
121.02903	6.7
121.04565	10.3
121.10141	27.3
123.11633	9.2
124.03949	33.4
124.08015	7.9
125.09605	9.9
127.01570	28.2
127.03898	13.0
127.11196	27.2
128.76227	5.7
129.07040	5.4
131.08566	18.8
133.08586	40.3
133.10086	30.0
135.11688	35.9
138.05461	20.3
139.01541	10.2
139.11084	6.0
142.01247	5.8
143.08597	8.8
143.10683	21.2
144.14507	6.5
145.04994	6.4
145.10069	37.6
147.11668	78.2
149.13181	8.3
153.03058	39.3
153.12737	21.7
157.10109	17.2
159.11703	32.1
161.13261	11.9
163.14816	6.4
171.11655	6.3
173.13263	12.5
175.14821	10.3
176.86766	6.5
177.11243	17.0
185.13280	11.8
187.14804	11.3
189.16322	11.8
192.85275	5.8
197.05711	8.4
201.16380	28.9
213.16428	7.0
221.13922	9.6
262.88419	5.6
269.22647	8.2
287.23749	15.9
479.16730	7.8
497.17816	7.5
589.24469	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	588.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.4
57.03440	2.9
57.07073	100.0
59.05004	5.9
59.20503	2.0
67.05492	7.7
69.03439	2.4
69.07057	4.6
69.12488	14.0
71.04977	4.7
73.02910	2.5
79.05109	2.0
79.05479	12.3
79.62453	2.1
81.03416	4.2
81.07056	42.5
85.02892	7.8
85.06535	83.3
87.00819	2.2
87.04449	2.8
89.06020	4.4
91.05461	13.6
93.07033	30.0
95.08600	16.5
97.02872	4.4
97.21842	2.0
99.04496	2.5
102.04371	2.2
103.07570	4.1
105.01871	5.4
105.07017	29.8
107.08591	56.9
109.02915	2.1
109.10131	15.7
111.23454	2.5
113.93901	2.0
117.07020	8.2
119.08578	68.4
121.10143	5.2
123.11696	3.6
124.03957	14.9
127.03925	6.8
129.07019	3.1
130.07793	2.9
131.08580	24.8
133.10118	9.4
135.11684	34.8
137.09622	4.5
138.05464	7.3
143.08546	6.8
145.04906	2.7
145.10114	37.9
147.04451	2.9
147.11711	9.3
151.11159	2.7
157.10121	12.3
158.10945	2.6
159.11702	21.4
161.13246	8.8
167.14337	2.5
171.11697	5.8
172.12476	3.1
175.14894	2.2
185.13332	5.6
187.14803	98.8
189.16393	8.2
201.16428	3.3
207.17380	4.0
213.16388	6.6
219.17455	8.1
237.18456	30.1
269.22705	6.4
287.05356	2.9
287.23596	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	589.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15664	0.5
65.44366	0.5
68.99783	1.0
69.59097	1.5
87.96008	0.4
95.05025	0.4
103.05442	2.3
105.03387	1.8
105.07010	0.6
121.06563	0.4
131.04933	5.0
144.21097	0.5
147.04362	1.0
169.01355	0.5
177.05548	0.7
241.04980	1.5
263.03116	3.2
264.03583	0.5
269.04413	0.9
291.02615	30.9
292.02930	1.1
293.04294	3.4
296.17050	0.5
299.10754	0.5
303.04993	0.6
303.90292	0.4
321.03671	100.0
322.04068	2.8
382.68604	0.5
502.44946	0.6
589.09485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17813	0.2
63.67389	0.2
69.62577	1.0
89.25729	0.2
89.61720	0.2
103.05454	1.3
105.03401	0.3
105.49696	0.3
131.04918	3.6
181.01205	0.4
187.03952	0.4
196.95319	0.3
238.45128	0.2
249.00111	0.3
263.03220	0.3
285.07355	0.3
291.02621	14.9
292.03128	0.4
293.08270	0.4
321.03674	100.0
322.04019	2.5
353.06363	1.2
441.11850	0.3
589.13043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78250	1.4
53.03944	1.5
69.03423	7.9
69.64692	4.9
69.65059	2.6
81.03423	7.9
85.02903	23.4
87.00825	3.9
89.03914	2.5
91.05469	4.3
94.04179	3.0
97.02881	6.7
97.31103	1.4
99.04461	4.1
103.05460	2.6
105.01859	4.7
105.07030	3.9
109.02874	8.5
109.06524	1.7
115.03877	1.6
115.05462	3.3
117.03362	3.0
119.04922	2.0
119.08599	2.0
121.06531	3.8
122.03658	5.0
123.04445	2.5
127.03915	13.5
129.06970	2.0
131.04906	5.5
133.06516	3.2
134.56560	1.5
135.04407	6.0
137.05968	100.0
138.06311	1.9
145.02837	3.1
145.04936	5.3
145.06509	1.6
147.02832	1.8
147.04433	4.6
147.08038	2.7
149.05969	7.9
151.03867	6.7
152.04529	1.4
159.02899	3.8
159.08051	1.6
161.05977	17.6
163.03900	33.8
163.07590	1.9
165.05504	11.4
167.07033	4.4
175.04068	1.8
175.05974	1.7
175.07529	33.8
177.05470	2.1
179.07101	1.7
187.07500	9.8
189.05478	1.5
189.09035	1.9
190.07739	2.9
191.08498	7.0
199.07541	7.5
202.07805	2.8
203.06923	2.1
203.08592	4.5
217.08597	2.4
219.08005	8.4
231.08070	5.9
236.08452	1.7
245.08141	3.9
247.07515	4.7
247.09711	4.7
248.08264	5.2
251.10745	13.0
259.07507	4.1
261.08929	1.5
263.10919	3.1
264.08069	1.9
265.10690	4.8
276.07840	2.0
277.08707	1.7
279.10147	11.5
291.10162	14.5
292.10538	1.6
293.08054	2.2
308.10324	2.9
311.12744	37.7
321.10944	1.5
323.12744	27.9
335.12741	2.2
347.13339	1.8
353.13617	1.7
589.18420	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	589.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38847	1.4
55.01862	2.2
55.05492	3.9
57.03396	1.2
65.03932	4.3
66.90183	1.1
67.05502	3.5
68.99780	4.6
69.07054	1.7
70.06572	1.3
71.41629	1.3
79.05477	3.6
81.07085	2.7
91.05479	5.4
93.07051	2.7
95.04925	3.0
95.08615	3.2
97.02891	2.0
105.03396	1.4
105.07024	2.7
107.04952	1.6
109.10172	1.3
111.04456	3.5
117.06988	1.9
119.04914	7.6
121.02856	98.0
121.03913	4.2
127.03922	1.5
129.07048	1.3
131.04906	2.1
133.02843	2.1
133.06445	1.6
135.04448	3.2
137.05956	2.9
138.05525	3.9
145.02812	5.1
145.06567	1.9
147.04413	3.3
149.02347	3.0
149.06003	2.2
151.03899	18.5
153.01678	1.1
159.04448	1.5
161.05992	2.0
163.03882	9.9
165.01793	1.9
165.05504	2.9
167.03317	2.0
171.04358	1.4
179.03473	1.6
183.08244	1.4
189.05518	1.5
195.02905	7.5
213.05447	3.3
215.07071	2.2
218.21065	1.3
223.07458	3.3
227.06976	2.3
237.09048	2.8
238.06174	2.5
239.07013	49.8
240.07718	2.1
241.08463	1.8
250.06117	1.5
251.07022	29.0
252.07829	8.4
253.08539	6.4
255.06508	4.6
257.04385	1.7
265.05035	3.3
265.08624	11.0
266.09390	2.7
267.06500	22.5
267.09903	2.3
268.07202	2.4
269.08090	6.4
271.02493	1.7
271.09540	1.8
276.07581	1.6
277.08569	10.4
279.06628	2.9
279.10165	4.1
281.08127	5.7
283.05963	10.1
287.01993	2.0
289.08456	2.2
291.06778	1.9
291.10153	5.3
293.08148	4.4
293.11517	2.0
295.06009	8.8
295.09378	2.8
296.06451	1.7
297.07574	2.8
299.05576	1.6
305.08084	4.3
307.09515	2.5
309.07501	3.3
311.05493	2.1
311.09308	1.6
313.07040	6.5
313.15094	1.4
321.07581	3.2
323.08972	1.4
327.08920	1.6
335.16473	13.2
337.17825	1.8
339.08731	2.0
345.14847	4.1
351.19562	1.7
361.14078	1.9
361.18100	2.8
363.15863	23.5
363.19928	2.0
365.17584	5.7
373.14343	2.4
377.17557	3.0
379.14801	7.6
379.19186	5.5
381.17206	2.1
387.51996	1.4
389.13217	1.7
389.17468	5.0
391.15414	4.9
393.17035	3.7
405.05957	7.8
405.17001	12.0
407.14771	13.9
407.18713	11.0
409.16278	1.3
415.15506	2.5
417.17197	3.7
419.14893	1.5
423.18100	6.8
425.15469	2.1
433.16409	17.1
434.16754	1.6
435.07047	1.4
435.18051	15.9
437.15872	1.3
451.17493	19.4
453.19186	14.4
461.16064	11.6
469.18643	4.6
471.20010	8.0
479.16968	33.6
480.17374	2.4
482.62717	1.3
497.18039	67.0
498.18600	2.9
509.21948	4.6
515.19086	10.5
526.59735	1.6
527.22723	39.8
528.22693	1.8
534.91498	1.3
545.23132	1.3
553.20825	7.4
571.08350	2.5
571.21722	35.7
572.22180	1.7
588.40424	5.9
589.09656	7.1
589.22711	100.0
590.23242	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	589.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01877	0.8
55.05510	2.9
57.03452	0.7
59.84662	0.7
64.62646	0.7
64.69392	0.7
65.03933	2.3
67.05501	3.3
67.42153	0.8
68.99796	2.9
69.07064	1.4
70.93155	1.1
79.05489	2.4
81.07039	1.8
85.44493	0.6
86.09702	0.8
87.04458	1.2
89.06047	1.3
91.05477	2.8
93.07034	1.5
94.06564	1.4
95.04965	2.3
95.08604	1.5
97.10177	1.1
103.05432	0.8
105.03384	0.9
105.07079	1.9
109.10152	0.7
110.06026	1.3
111.04474	1.7
117.07058	1.1
119.04937	4.5
121.02862	59.1
121.03950	2.0
123.04419	1.5
131.04948	1.4
133.02844	1.7
133.06493	0.8
135.04408	1.2
137.02321	0.9
138.05493	35.8
139.05873	1.3
145.02864	3.0
145.06474	1.0
147.04428	2.1
149.02321	1.2
149.06032	1.0
151.03899	9.8
153.01848	1.9
157.06548	1.0
161.06061	1.1
163.03891	7.4
165.01851	0.9
165.05501	1.1
165.71541	0.7
167.03386	1.0
173.05936	1.0
175.03952	0.9
177.05452	1.1
179.03447	1.0
187.03905	1.7
195.02910	3.3
196.78032	0.8
197.97861	0.9
203.03366	1.6
213.05408	1.4
223.07529	1.9
227.07065	1.6
229.05028	1.1
235.16508	0.7
238.06230	1.5
239.07010	28.8
240.07671	2.2
241.08591	1.3
243.02591	1.2
243.06552	0.9
251.07025	14.4
252.07831	3.5
253.08536	3.8
255.06502	3.8
259.02383	1.8
259.06183	0.8
263.07275	0.9
265.05029	1.8
265.08633	6.5
266.05579	0.9
266.09457	1.5
267.06516	12.2
267.09845	1.1
268.07330	1.3
269.08023	5.2
270.05365	1.0
272.71967	0.7
273.03647	0.9
277.08597	3.9
279.06580	1.6
279.10202	2.1
281.08127	3.1
283.05984	5.5
285.03928	1.2
287.01917	3.1
287.05325	1.6
289.03619	1.2
289.08627	1.4
291.10135	2.0
292.07297	1.8
293.08005	3.0
295.06100	5.5
295.09619	1.9
296.06607	1.1
297.07550	1.6
301.03430	1.1
303.10016	0.9
305.08127	2.6
309.07648	2.5
311.05600	2.4
311.09045	1.0
313.06989	4.3
319.10086	0.9
321.07550	1.8
323.09225	1.8
335.16400	10.1
337.18103	1.1
345.15082	1.5
351.19556	1.1
361.14035	1.1
361.17957	1.3
363.15958	12.0
365.17441	3.1
375.16150	1.0
377.17441	2.1
379.15100	5.1
379.19318	3.4
387.15735	1.0
389.17639	2.0
391.15530	3.2
393.17099	1.6
405.06082	12.4
405.17090	7.3
407.07211	1.3
407.13870	7.1
407.18655	7.2
409.16412	1.0
417.17044	2.9
421.05243	3.9
423.18063	3.4
425.15250	1.3
433.16434	8.4
435.18304	6.9
437.08670	1.7
451.17572	11.6
452.17648	0.9
453.19308	4.0
461.15851	6.8
469.18594	2.2
471.20111	2.8
479.16977	19.6
497.18036	39.4
498.18524	2.4
509.21500	1.8
527.22766	10.8
553.20605	3.5
571.08557	2.9
571.21729	18.1
572.22339	1.1
588.40881	0.9
589.09656	8.8
589.22748	100.0
590.09503	1.2
590.22821	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	589.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01877	0.8
55.05510	2.9
57.03452	0.7
59.84662	0.7
64.62646	0.7
64.69392	0.7
65.03933	2.3
67.05501	3.3
67.42153	0.8
68.99796	2.9
69.07064	1.4
70.93155	1.1
79.05489	2.4
81.07039	1.8
85.44493	0.6
86.09702	0.8
87.04458	1.2
89.06047	1.3
91.05477	2.8
93.07034	1.5
94.06564	1.4
95.04965	2.3
95.08604	1.5
97.10177	1.1
103.05432	0.8
105.03384	0.9
105.07079	1.9
109.10152	0.7
110.06026	1.3
111.04474	1.7
117.07058	1.1
119.04937	4.5
121.02862	59.1
121.03950	2.0
123.04419	1.5
131.04948	1.4
133.02844	1.7
133.06493	0.8
135.04408	1.2
137.02321	0.9
138.05493	35.8
139.05873	1.3
145.02864	3.0
145.06474	1.0
147.04428	2.1
149.02321	1.2
149.06032	1.0
151.03899	9.8
153.01848	1.9
157.06548	1.0
161.06061	1.1
163.03891	7.4
165.01851	0.9
165.05501	1.1
165.71541	0.7
167.03386	1.0
173.05936	1.0
175.03952	0.9
177.05452	1.1
179.03447	1.0
187.03905	1.7
195.02910	3.3
196.78032	0.8
197.97861	0.9
203.03366	1.6
213.05408	1.4
223.07529	1.9
227.07065	1.6
229.05028	1.1
235.16508	0.7
238.06230	1.5
239.07010	28.8
240.07671	2.2
241.08591	1.3
243.02591	1.2
243.06552	0.9
251.07025	14.4
252.07831	3.5
253.08536	3.8
255.06502	3.8
259.02383	1.8
259.06183	0.8
263.07275	0.9
265.05029	1.8
265.08633	6.5
266.05579	0.9
266.09457	1.5
267.06516	12.2
267.09845	1.1
268.07330	1.3
269.08023	5.2
270.05365	1.0
272.71967	0.7
273.03647	0.9
277.08597	3.9
279.06580	1.6
279.10202	2.1
281.08127	3.1
283.05984	5.5
285.03928	1.2
287.01917	3.1
287.05325	1.6
289.03619	1.2
289.08627	1.4
291.10135	2.0
292.07297	1.8
293.08005	3.0
295.06100	5.5
295.09619	1.9
296.06607	1.1
297.07550	1.6
301.03430	1.1
303.10016	0.9
305.08127	2.6
309.07648	2.5
311.05600	2.4
311.09045	1.0
313.06989	4.3
319.10086	0.9
321.07550	1.8
323.09225	1.8
335.16400	10.1
337.18103	1.1
345.15082	1.5
351.19556	1.1
361.14035	1.1
361.17957	1.3
363.15958	12.0
365.17441	3.1
375.16150	1.0
377.17441	2.1
379.15100	5.1
379.19318	3.4
387.15735	1.0
389.17639	2.0
391.15530	3.2
393.17099	1.6
405.06082	12.4
405.17090	7.3
407.07211	1.3
407.13870	7.1
407.18655	7.2
409.16412	1.0
417.17044	2.9
421.05243	3.9
423.18063	3.4
425.15250	1.3
433.16434	8.4
435.18304	6.9
437.08670	1.7
451.17572	11.6
452.17648	0.9
453.19308	4.0
461.15851	6.8
469.18594	2.2
471.20111	2.8
479.16977	19.6
497.18036	39.4
498.18524	2.4
509.21500	1.8
527.22766	10.8
553.20605	3.5
571.08557	2.9
571.21729	18.1
572.22339	1.1
588.40881	0.9
589.09656	8.8
589.22748	100.0
590.09503	1.2
590.22821	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	589.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12985	0.8
69.09193	5.6
84.40305	0.9
89.06023	1.8
93.07053	1.0
105.07047	1.6
106.13551	0.8
107.08553	1.0
119.08565	1.5
120.87698	0.8
124.03965	2.5
127.01561	0.9
131.08553	1.1
145.10109	1.2
157.10161	0.9
199.05759	100.0
200.06183	1.0
272.25900	0.9
280.14401	2.7
281.15048	1.8
353.17203	33.8
354.17834	1.6
371.18146	2.7
413.19308	91.1
414.19626	3.2
431.20456	1.7
454.22195	2.3
589.26172	75.3
590.26501	3.2
610.83368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33824	8.1
55.63181	8.0
67.53945	7.2
68.99773	47.0
69.03425	10.2
70.06577	8.2
71.43110	8.7
81.03411	9.9
83.46584	7.4
97.02958	7.4
103.05470	19.8
105.07005	13.1
127.03902	14.5
131.04916	21.2
144.88716	9.4
151.03900	17.2
161.06218	7.4
168.02924	33.2
181.99023	7.3
198.58066	8.6
201.00305	100.0
215.31511	7.9
238.66656	8.6
287.05606	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76308	0.5
65.60764	0.5
68.99806	1.2
79.05470	1.0
91.05489	1.0
93.42811	0.6
95.04967	1.5
97.62031	0.6
99.91842	0.5
103.05458	4.7
105.03369	0.8
107.04984	0.9
128.10742	0.7
131.04927	10.9
135.04439	0.9
142.53653	0.6
144.04431	0.6
147.04430	0.9
152.03482	1.3
163.03958	2.2
165.01883	1.9
168.02985	1.1
174.05649	0.6
177.05557	1.7
178.01352	0.8
179.03384	0.6
180.02908	6.5
183.02945	1.3
187.03961	1.5
189.01921	2.4
191.03391	8.1
192.02892	0.8
199.16161	0.6
202.05008	1.1
203.03485	2.2
205.04953	12.6
207.02879	3.3
215.03395	3.9
217.05064	1.9
218.04613	0.7
223.06085	1.1
230.04578	2.9
233.04594	2.3
244.06221	1.6
248.05492	5.4
256.06052	0.6
268.06259	1.2
270.07675	0.6
272.05762	1.1
278.05652	1.9
290.06662	0.6
292.05972	1.6
293.07056	0.9
298.07086	0.6
307.09967	0.8
312.05127	1.1
319.05984	0.9
319.09653	1.0
321.03778	0.6
336.01340	1.3
337.01941	1.0
338.06580	3.9
340.04596	0.8
376.12268	0.7
382.05499	7.8
383.06403	0.6
390.09866	1.0
400.06671	3.8
440.07880	0.9
441.08292	1.2
442.12823	5.6
458.08432	0.6
468.06973	0.8
484.10208	0.8
486.11862	26.6
487.12418	1.3
504.12851	24.3
505.13370	1.5
529.11279	0.9
530.11951	2.9
545.14301	4.3
546.12177	1.1
547.12488	8.9
572.12976	3.0
573.12836	1.8
590.18201	100.0
591.18591	7.3
601.88696	0.6
605.11511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05513	0.5
60.80036	0.3
65.02675	1.2
67.05508	0.9
69.03433	1.5
69.07075	0.4
69.36131	0.3
69.88474	0.9
69.88824	0.7
71.04977	0.4
79.05482	0.7
81.03414	17.4
81.07053	1.3
83.05005	0.4
83.08625	0.4
85.02866	0.4
89.06025	0.5
90.79865	0.4
91.05466	2.0
93.07012	1.2
94.02921	0.4
94.06579	0.5
95.03712	1.3
95.04940	0.5
95.08594	1.2
96.04472	0.8
97.02914	0.9
105.02132	1.9
105.07006	1.8
106.02861	0.4
107.08598	1.2
109.02883	6.1
111.09959	0.4
112.03959	0.4
115.71641	0.4
117.05521	0.4
117.07040	1.0
119.07870	0.4
119.08578	2.6
121.06498	0.4
121.10152	0.7
121.60631	0.4
122.02374	2.5
123.03191	3.1
124.03953	2.4
127.03927	3.5
129.07056	0.6
131.08577	1.6
133.06378	0.4
133.10136	1.6
138.05495	7.9
140.03418	100.0
141.03734	1.2
142.07759	1.0
143.08560	1.4
145.02835	0.5
145.10158	2.3
147.11685	1.1
155.08577	0.7
156.09387	0.5
157.10107	2.9
159.11693	2.2
161.13326	0.5
163.03836	0.6
169.10112	0.7
170.10982	0.4
171.11656	1.3
173.13295	0.6
175.14804	1.3
177.05533	1.0
183.11674	0.6
185.13228	1.8
187.14841	3.7
189.16393	0.8
193.10193	0.6
195.11732	0.5
197.13173	0.7
199.14836	3.0
203.14279	3.0
205.15842	0.9
217.15892	2.0
227.14336	1.0
242.79085	0.4
245.15285	0.5
247.51465	0.4
249.16278	0.5
254.06583	1.6
256.36310	0.4
266.06482	1.8
267.17532	0.4
268.08017	0.4
295.16714	0.8
313.17813	1.1
343.15646	0.7
452.20551	1.4
470.21521	2.1
514.26288	0.4
572.21454	0.9
591.24310	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.05515	1.6
58.99571	5.0
67.05495	3.6
68.99799	1.9
69.03422	11.1
69.07061	2.9
69.76731	5.7
76.73450	1.4
79.05476	5.9
80.05013	1.4
81.03413	100.0
81.07045	7.4
83.04975	2.6
85.02895	5.4
86.00648	31.6
86.42577	1.4
88.02222	11.8
88.03987	17.2
91.05481	7.9
93.07025	5.9
95.04971	4.3
95.08596	8.7
97.02876	3.3
98.23344	3.0
105.07018	13.6
105.92838	1.5
106.06644	1.9
106.50547	1.5
107.08574	6.1
109.02875	34.6
109.06488	2.7
109.10137	3.6
115.05438	3.1
116.01729	2.5
117.06997	4.7
119.08585	17.1
121.06530	2.1
121.10136	5.4
127.03918	19.3
128.06213	3.5
129.06989	4.2
130.05011	1.9
131.08574	14.9
132.01149	59.6
133.06511	1.7
133.10130	5.6
134.02705	5.1
137.05968	14.8
138.06320	5.5
140.59587	1.5
141.06993	2.2
142.07780	7.1
143.08562	13.6
145.04955	5.4
145.10117	29.9
147.04388	2.4
147.08002	1.7
147.10425	2.7
147.11688	5.9
155.08589	4.3
156.09361	6.1
157.10109	22.1
158.02722	2.5
158.10846	2.4
159.02971	2.1
159.11679	16.0
160.04330	1.8
161.13246	6.2
162.06549	1.6
165.07098	1.9
167.08546	3.4
169.10101	4.9
170.08026	1.7
170.10847	7.2
171.11691	8.4
172.12508	3.2
173.13283	4.9
175.07532	2.8
175.14841	4.0
179.08540	2.2
181.10059	2.7
182.10979	2.2
183.11673	5.6
184.12555	2.7
185.13231	46.5
187.14806	87.5
188.15109	1.8
189.09106	1.8
195.11761	2.1
196.12375	2.4
197.13257	4.3
199.14809	12.0
201.16470	2.1
203.08769	1.9
203.10774	1.6
203.14319	4.1
204.09648	1.8
207.11749	1.9
209.13298	4.0
211.14828	2.2
215.14317	2.2
217.10437	4.1
218.11189	2.7
219.11996	7.9
221.13495	2.8
227.14317	3.2
231.11981	2.2
235.11156	2.2
235.14696	2.2
253.15747	2.6
295.16891	3.4
306.15237	23.1
308.16708	20.4
312.13086	3.1
313.17877	4.5
320.16705	2.4
324.12833	1.8
324.16418	1.6
331.18976	18.7
345.15067	1.8
347.20795	2.0
348.16180	1.8
366.17126	2.0
368.18906	1.8
384.18414	1.8
386.71933	1.7
416.18826	1.9
434.19769	4.0
435.18652	2.9
452.20963	53.0
494.22009	4.7
512.23108	20.7
530.24048	7.0
572.24799	6.0
589.41333	2.1
590.09210	3.4
590.18964	4.9
590.27124	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	590.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.3
53.03924	0.3
59.67459	0.3
66.74574	0.3
67.05484	0.3
71.43462	0.3
78.03417	0.4
82.17490	0.3
89.06019	0.3
91.05471	0.6
92.04973	0.8
94.06561	4.4
94.07099	0.5
96.04453	0.7
102.90076	0.2
105.07032	0.4
110.06030	3.2
113.19434	0.3
119.04897	1.2
119.08572	0.3
124.03961	1.4
126.91755	0.3
128.93999	0.2
138.05487	100.0
139.05791	1.3
147.04404	5.0
148.82532	0.3
154.04942	0.4
193.89886	0.3
240.09860	0.3
480.17087	0.3
525.47931	0.3
590.27484	12.0
591.27692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.1
59.04984	0.2
62.06098	0.5
65.03931	0.5
66.55440	0.1
67.05498	0.5
69.63120	0.2
69.63496	0.2
74.27533	0.1
78.03458	0.2
81.07073	0.1
87.04446	0.1
89.06013	0.3
92.04993	0.9
93.05782	0.2
93.06994	0.1
94.06562	4.0
94.07162	0.2
95.04918	0.1
95.08583	0.1
96.04490	0.7
98.23582	0.1
105.03357	0.2
110.06039	3.0
124.03949	0.8
138.05492	100.0
139.05074	0.1
139.05853	1.0
154.04921	0.1
258.26193	0.1
341.29160	0.1
449.67767	0.1
468.23868	0.4
590.27441	10.8
591.27588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39140	0.9
52.92877	0.9
55.05501	3.3
57.07057	3.4
59.04993	3.1
65.03938	1.7
66.79136	0.9
67.05492	5.9
69.03439	1.1
69.07061	6.9
71.04996	5.9
71.43116	0.8
73.02919	1.4
73.06548	1.3
78.96519	0.9
79.05487	5.6
80.01591	0.9
80.04989	0.9
81.07054	20.8
83.08616	1.8
85.02888	1.9
85.06541	1.1
87.00813	1.3
87.04456	2.7
89.06024	3.5
91.05465	4.1
91.21969	1.0
93.07037	15.4
94.06567	4.1
94.09333	0.9
95.04977	2.4
95.08597	12.1
97.02887	1.0
97.10170	2.1
99.08081	0.9
103.03962	1.5
103.07539	1.5
105.01857	2.1
105.07034	7.4
107.08590	15.0
109.02905	1.3
109.10159	20.3
110.06029	3.4
119.08584	6.8
121.10148	13.9
123.11700	4.0
124.03922	2.3
127.01540	1.0
127.03896	2.2
127.11189	11.7
131.08537	2.1
133.08549	1.5
133.10120	5.6
135.11685	6.0
137.13271	1.6
138.05495	100.0
139.05864	1.2
139.11127	1.0
143.10680	2.6
145.04929	1.6
145.10109	2.2
147.11662	5.0
149.13252	13.4
153.12721	2.7
157.10153	1.4
159.11690	2.8
161.13293	4.8
163.14799	3.0
173.13249	2.2
175.14853	2.2
187.14742	4.7
189.16364	2.0
191.17911	2.1
201.16356	2.6
203.17905	8.9
207.17166	1.0
215.17978	2.0
271.24155	5.5
289.25177	4.1
325.14032	1.2
343.15231	1.3
590.27301	6.2
591.27094	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	590.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.6
58.06369	0.2
58.06620	0.4
59.07411	0.2
60.08162	6.2
68.86711	0.1
70.57055	0.2
70.57400	0.4
71.07371	3.3
71.08640	0.2
81.07068	0.2
85.32446	0.2
86.09702	29.7
87.10037	0.2
89.06040	0.3
93.07018	0.2
98.98455	3.1
104.10739	3.1
123.08057	0.2
124.99997	21.7
143.01068	0.3
146.09944	0.2
172.21843	0.2
179.14357	0.3
184.07329	100.0
185.07632	1.1
193.43814	0.2
258.11044	0.3
408.45776	0.2
433.35992	0.2
572.37146	1.0
590.38214	2.1
591.38550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21931	0.1
65.03925	0.3
67.05494	0.2
69.17612	0.7
73.02906	0.1
78.03458	0.1
81.37333	0.1
87.04495	0.3
89.06018	0.7
92.04999	1.2
93.05760	0.3
94.06564	3.9
96.04503	0.7
110.06033	2.8
111.06403	0.1
111.97090	0.1
117.05510	0.2
124.03945	0.1
133.08594	0.3
138.05492	100.0
139.05080	0.1
139.05858	1.2
150.12859	0.1
154.05008	0.2
177.11232	0.2
215.42056	0.1
228.64207	0.1
271.08310	0.1
293.30347	0.1
591.26953	7.1
592.27277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78608	0.1
53.03950	0.2
65.03938	0.3
67.05495	0.3
69.07040	0.2
79.37647	0.1
86.09702	0.1
91.05455	0.3
92.05001	1.1
93.05760	0.2
94.06564	4.5
95.04957	0.2
96.04487	0.8
97.02895	0.3
105.07021	0.2
110.06037	3.3
112.90695	0.1
119.04895	0.2
121.02868	1.1
121.06587	0.2
124.03922	0.5
129.28050	0.1
138.05490	100.0
139.05856	1.1
147.04366	0.3
148.35347	0.1
167.07060	0.2
181.01337	0.2
199.02324	0.2
203.03369	0.2
224.95345	0.1
249.32227	0.1
252.32069	0.1
286.04782	0.8
287.05432	2.1
288.05820	0.1
299.05411	0.9
307.02094	2.2
308.02304	0.1
313.07010	0.3
327.08496	0.1
339.08557	0.6
365.10114	0.2
383.11212	1.8
415.13831	2.9
479.62469	0.2
591.27148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.1
53.24558	0.1
57.22648	0.1
57.38493	0.1
59.04746	0.1
59.05000	1.8
65.03922	0.4
67.05489	0.2
69.46014	0.3
69.46420	0.3
73.02908	0.3
73.06544	0.2
78.03442	0.2
79.04214	0.1
87.04456	0.4
89.06030	1.0
92.04998	1.2
93.05769	0.3
94.05996	0.3
94.06562	4.2
96.04503	0.6
103.07564	1.3
110.06028	3.3
110.06586	0.1
117.09109	0.1
119.08573	0.2
123.11746	0.1
124.03941	0.3
133.08574	0.4
136.03850	0.1
137.25154	0.1
138.05490	100.0
139.05832	1.4
147.04372	0.1
147.10155	0.4
154.04935	0.2
234.70741	0.1
335.36069	0.1
497.43906	0.1
591.26947	23.7
592.27173	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	591.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49989	0.1
55.62274	0.1
65.02123	0.1
65.03931	0.3
67.05499	0.3
67.81330	0.1
69.99667	0.3
78.03440	0.1
87.04443	0.2
87.46912	0.1
89.06001	0.3
90.00871	0.1
92.04990	1.0
93.05769	0.4
94.06569	3.7
96.04484	0.6
98.23405	0.2
110.05340	0.2
110.06039	2.8
121.02866	0.2
121.10207	0.1
133.08557	0.1
138.05496	100.0
139.05824	1.0
144.53151	0.1
153.99440	0.1
253.05559	0.1
343.15536	0.1
468.24350	0.2
543.29529	0.1
591.26947	13.8
592.27295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.1
58.99582	10.8
60.04524	3.0
67.05505	17.6
68.99796	4.8
69.03421	4.1
69.07045	12.0
69.07674	13.8
70.02953	22.3
70.06605	12.6
71.04984	5.4
72.08152	5.2
74.00684	3.4
74.02404	3.4
76.02230	23.0
76.04002	14.7
79.05486	17.5
81.07053	28.5
81.07509	3.7
83.04995	9.5
83.08604	2.5
84.04523	4.0
85.06533	6.2
86.00635	5.7
86.09714	5.7
88.02213	22.0
91.05494	22.1
93.07039	20.2
95.04971	4.0
95.08603	24.4
97.06526	10.0
99.05593	3.8
99.08084	5.3
100.02230	5.4
105.07036	27.0
107.08601	19.5
109.10172	11.1
111.08104	4.0
114.28244	2.3
116.01662	18.7
116.03457	4.4
117.07016	6.0
119.04942	11.2
119.08566	28.0
121.06520	12.2
121.10159	11.0
123.11709	4.3
126.03721	5.1
128.06264	4.4
129.06978	5.6
131.08565	22.9
133.09004	2.9
133.10144	14.8
134.09645	2.9
135.08058	6.8
135.11685	9.1
142.07790	4.8
143.02721	9.7
143.08571	19.2
144.01132	5.4
145.06078	91.9
145.10088	28.8
147.04395	37.1
147.11697	14.8
149.09628	3.9
149.13261	9.8
155.08650	3.8
156.09392	5.9
157.10110	21.0
159.08072	2.7
159.11719	15.6
161.06000	4.1
161.09709	2.5
161.13284	6.1
162.02182	21.0
163.07576	4.4
165.09190	3.0
169.10097	4.8
171.11685	19.4
173.13278	22.8
175.14841	4.5
177.03285	7.1
179.04855	24.9
181.04939	4.3
183.11688	8.9
184.12273	2.8
185.00816	4.1
185.13281	15.7
187.14807	7.2
188.14322	3.4
189.03319	8.7
191.04814	4.1
191.14308	3.4
195.11685	3.9
197.13295	8.6
199.11182	5.1
199.14833	11.5
201.09109	3.5
201.16394	3.2
211.14864	6.0
213.16382	3.2
215.10707	3.7
217.12276	10.7
225.16393	3.1
229.12263	4.8
229.15875	2.8
253.19521	7.3
255.21060	6.9
271.20563	15.4
273.22131	7.4
287.05365	3.2
289.21561	16.1
291.23151	3.7
295.11002	3.0
299.20029	17.1
301.26187	2.7
303.17261	3.0
305.57379	2.8
306.24280	4.9
307.22617	16.0
317.21100	13.9
331.07526	2.6
335.21915	3.9
343.04828	3.4
346.22211	3.9
364.23044	5.1
374.21515	19.4
392.22482	24.5
410.23615	8.9
416.13483	3.9
420.21921	13.1
438.22824	10.8
449.24744	3.0
450.23157	3.4
467.25876	52.8
469.27216	25.7
477.24033	10.2
495.25067	23.3
496.24469	4.1
513.26331	100.0
514.26569	3.6
531.27338	22.1
573.28204	21.8
591.29163	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03936	1.1
55.05499	3.2
60.08364	0.7
65.03928	0.7
67.05496	7.4
69.03439	0.8
69.07069	3.7
77.03931	0.8
78.03445	8.2
79.05487	7.0
80.05016	5.4
80.05444	0.9
81.07051	11.6
83.08601	1.2
85.06490	0.6
89.06016	2.2
90.57903	0.8
91.05463	7.8
93.06522	0.9
93.07047	9.0
95.04968	5.0
95.08596	9.6
96.04480	5.2
97.02886	0.7
97.06520	1.2
97.10202	0.6
105.02683	1.0
105.03385	17.6
105.04502	1.8
105.07030	11.6
106.02907	23.6
107.08580	10.0
108.04450	0.8
109.06519	2.2
109.10136	5.2
111.04420	0.6
115.05437	0.7
117.07011	2.5
119.08577	13.7
121.06488	1.2
121.10117	7.5
123.08032	1.2
123.11706	1.8
124.03941	100.0
125.04318	0.7
129.06989	2.4
130.07782	1.2
131.08548	6.7
133.08591	1.0
133.10120	8.5
135.08093	1.0
135.11646	3.7
135.23012	0.7
135.25349	0.6
137.09587	1.7
138.05530	1.5
141.06993	1.1
142.07771	1.9
143.08546	4.7
144.09369	1.1
145.10118	9.7
147.08025	0.8
147.11642	6.0
149.09599	1.2
149.13235	1.7
155.07297	0.7
155.08537	2.9
156.09360	1.9
157.10103	7.6
158.10893	1.1
159.08005	0.8
159.11679	10.4
161.13225	3.5
163.11159	1.4
167.08508	0.8
168.09334	1.0
169.10146	5.0
170.10851	2.9
171.11690	7.4
173.09767	0.7
173.13223	7.2
174.62874	0.7
175.11194	1.0
175.14793	3.0
177.12651	0.9
177.16368	1.5
181.10168	1.2
182.10852	1.6
183.11652	5.0
185.13245	6.6
187.14780	8.4
189.16327	0.8
195.11691	1.5
196.12419	0.9
197.13243	4.4
199.14838	3.0
201.12796	1.4
201.16394	2.6
203.14313	1.5
205.15852	8.7
209.13220	2.0
210.14088	1.0
211.11234	1.0
211.14804	4.5
213.16385	1.5
215.14281	1.7
215.17789	0.9
219.13814	1.1
221.13402	1.0
223.14876	1.2
225.16345	5.5
235.14755	2.0
239.17911	1.3
241.19666	0.8
249.16454	1.2
253.15901	2.2
255.21104	1.2
257.22641	1.5
261.69592	0.6
267.17853	1.2
267.21024	9.6
271.16913	2.2
285.18903	0.9
285.21933	3.3
287.16406	2.6
289.17911	1.0
295.16879	2.4
313.17981	6.1
331.18991	11.1
380.25723	2.6
390.24213	9.9
408.25278	17.1
468.27365	1.9
501.26794	0.7
513.27466	1.9
531.28400	4.5
551.06238	0.7
580.38416	0.8
591.30444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48599	2.5
53.58916	2.6
55.51790	2.7
68.99776	13.0
69.41653	15.6
79.05477	5.1
87.87947	3.0
101.02395	3.3
103.05470	35.5
107.04955	8.2
115.03929	23.5
131.04924	100.0
138.01848	9.7
143.03406	21.7
148.00270	6.1
150.01930	2.9
166.01393	14.3
167.02177	5.5
178.01357	69.6
184.02441	3.6
184.07367	3.4
192.02873	3.8
220.02406	12.5
221.00740	3.4
222.00354	8.3
225.05508	4.7
228.02911	14.7
230.01042	3.7
240.01324	4.9
246.00319	5.0
246.04045	3.9
248.01993	15.3
249.99844	7.9
264.06577	3.6
266.02887	16.0
268.00851	47.0
270.07547	19.0
282.07629	62.1
310.07190	3.6
324.08765	15.9
325.07187	4.0
326.06494	3.5
334.07462	5.8
340.00955	3.7
352.08154	38.7
354.06006	22.4
378.05951	9.4
382.09167	12.8
410.08856	21.4
412.10202	4.7
414.13257	10.7
424.10403	4.5
438.08011	28.0
438.13400	26.6
440.11411	8.8
444.07312	4.7
456.14767	14.2
510.11832	6.1
524.13043	6.2
542.14563	7.8
576.12866	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	592.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01897	0.1
53.03938	0.2
64.27851	0.1
64.40560	0.1
68.05009	0.2
70.71224	0.1
70.71565	0.1
78.03457	0.8
79.04224	0.2
80.05011	4.4
87.82334	0.1
89.06008	0.1
95.08559	0.1
96.04489	3.4
100.55370	0.1
102.95387	0.1
105.03364	0.2
105.07000	0.2
106.02919	0.1
117.07029	0.1
124.03947	100.0
125.04272	1.2
127.72520	0.1
140.03471	0.2
145.10129	0.2
167.34804	0.1
169.30508	0.1
244.39111	0.1
550.92133	0.1
592.25372	2.6
592.34564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
67.05512	0.9
69.07057	0.6
69.36385	2.1
74.30662	0.4
78.03454	2.3
80.05009	3.9
81.07045	0.9
89.82700	0.4
91.05494	0.9
93.07011	1.3
95.04965	1.2
95.08602	1.5
96.04498	3.1
105.03381	0.9
105.07025	1.8
106.02923	3.5
107.04933	0.6
107.08585	1.0
108.04446	0.7
109.06510	1.0
109.10149	0.4
111.04447	0.6
115.05302	0.4
117.06998	0.7
119.08555	2.3
121.10146	0.8
124.03943	100.0
125.04283	1.1
125.05977	0.6
129.07022	0.4
131.08548	1.6
133.10133	1.4
135.08031	0.7
141.07024	0.5
142.07748	0.9
143.03375	0.5
143.08578	1.4
145.10126	2.4
147.11670	1.1
149.09631	1.3
155.08525	0.9
156.09326	1.6
157.04874	0.7
157.10115	1.3
159.07993	0.6
159.11650	2.3
161.09636	0.5
165.06981	0.5
167.08627	0.9
169.10120	1.5
170.10901	0.9
171.11635	2.2
172.08820	0.5
173.09647	1.1
173.13271	1.5
179.08504	0.9
180.09306	0.7
181.10106	1.0
183.11700	1.2
185.09688	0.6
187.14824	1.5
189.12660	0.4
191.08699	0.5
193.10089	1.1
194.10844	0.5
195.11667	1.2
196.12479	0.6
197.13260	1.0
198.13910	0.5
199.11212	0.5
201.09087	0.5
201.12611	0.5
205.10178	0.5
205.15836	0.5
206.10873	0.6
207.11714	1.4
208.12453	0.7
209.09615	0.6
209.13272	0.9
211.11285	0.6
211.14740	3.5
215.14319	1.2
221.13231	3.6
222.13861	0.6
223.11157	0.7
223.14745	0.7
235.14861	0.7
236.15540	2.9
237.11186	2.4
237.16249	0.9
247.09567	0.6
251.10649	0.9
251.14218	0.5
265.15851	0.7
269.11798	0.5
275.14392	0.6
283.16858	0.6
292.16965	0.8
293.15326	4.7
301.14502	1.0
311.16513	1.0
319.19098	0.5
329.17453	12.8
330.17542	0.4
347.18530	1.6
376.44345	0.4
452.20685	6.1
453.86044	0.5
470.21542	1.5
471.62708	0.4
520.36798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.8
51.02375	1.1
53.03949	3.1
55.01864	0.9
55.05500	1.6
57.03424	0.6
65.03940	1.2
67.05510	5.2
68.87366	0.5
69.03416	1.8
69.07066	1.7
69.59496	1.8
71.04984	1.3
77.03925	2.8
78.03451	2.4
79.05480	5.1
80.05025	1.1
81.03419	0.8
81.07056	7.8
82.07381	0.7
83.04986	2.1
83.08617	1.1
85.06506	0.7
87.04471	0.6
89.61880	0.4
91.05480	4.4
92.05866	0.6
93.07048	6.0
95.04962	19.0
95.08597	4.7
96.04486	1.4
97.02898	2.3
97.06501	1.2
103.05460	0.6
105.03391	100.0
105.04416	8.1
105.07024	9.3
106.02931	6.0
106.03649	0.7
106.07379	0.7
107.03261	1.0
107.04926	0.6
107.08572	6.3
109.06522	4.0
109.10152	2.0
111.03766	0.6
111.04443	2.3
111.08096	2.4
115.05477	0.8
117.07007	2.2
119.04955	0.7
119.08583	15.4
120.08880	0.9
121.06490	1.2
121.10134	5.7
123.08018	0.9
124.03947	24.7
125.04276	4.6
128.06169	1.5
129.06990	2.4
131.08563	6.0
133.06476	1.0
133.10112	8.2
133.61018	0.5
135.08078	1.8
135.11694	1.7
137.09579	0.7
138.34219	0.5
139.07504	0.6
141.05409	0.8
141.06996	1.6
141.22075	0.5
142.07793	2.5
143.08568	6.9
144.09334	2.0
145.10123	10.6
146.10559	0.7
147.08025	1.4
147.11697	3.1
148.12054	0.6
149.09637	1.8
149.13333	0.5
151.07507	1.1
153.07022	0.6
155.07207	4.0
155.08403	4.3
156.09343	3.9
157.10121	12.4
158.10905	2.8
159.08084	1.7
159.11679	16.2
160.12134	1.0
161.09637	3.0
161.13232	1.9
163.07584	0.7
163.11134	2.5
167.08554	2.0
168.09346	1.1
169.10117	9.2
170.10913	3.8
171.08092	0.6
171.11685	11.5
172.12445	1.6
173.09633	2.2
173.13249	9.9
174.13760	1.0
175.11189	3.0
175.14870	1.8
176.15260	0.6
177.09140	1.0
177.12733	1.2
179.08577	2.6
180.09264	1.0
181.08691	0.8
181.10139	3.1
182.10901	1.1
183.11690	7.2
184.12350	1.9
185.09671	1.7
185.13237	6.2
186.10414	1.2
187.11168	2.4
187.14825	3.9
189.09067	0.6
189.12744	0.7
192.09349	1.6
193.10130	3.3
194.10907	2.3
195.11702	4.5
196.12440	3.2
197.09669	1.3
197.13245	5.6
198.13864	1.1
199.11227	1.3
199.14857	2.1
201.09064	0.7
201.12726	4.9
201.16217	0.7
202.13428	1.5
203.10641	1.5
203.14336	3.5
205.10139	1.3
205.12119	0.9
205.15910	1.2
206.10928	1.0
206.16174	1.0
207.11647	3.0
208.12439	1.2
209.13255	7.5
210.13982	2.1
211.11192	1.8
211.14816	10.7
212.15210	0.9
213.12759	0.9
215.10748	1.0
215.14336	2.4
217.15872	0.7
219.11678	1.2
219.13805	3.3
220.12427	4.3
221.11514	1.2
221.13310	1.5
223.14885	3.6
225.12749	1.4
225.16365	8.8
227.14371	1.2
229.12444	0.6
229.15903	1.1
234.14056	1.6
235.14783	9.4
236.15472	0.9
237.12685	0.9
239.10651	0.6
239.17851	1.2
243.17526	1.0
249.16422	4.1
251.14362	1.4
251.17960	0.8
253.12112	0.6
253.15871	8.9
257.11722	0.8
267.17416	5.9
267.20840	0.7
268.21350	1.3
269.15359	3.2
269.19113	0.6
271.16888	8.0
277.15802	2.3
285.18454	3.1
285.21481	0.5
286.04861	0.7
287.16418	12.2
287.19662	0.7
289.17947	5.9
295.16943	12.1
301.07211	0.9
303.19550	1.7
313.17960	27.6
314.18332	1.4
331.19019	49.5
332.19305	1.6
390.24307	1.4
391.24445	2.4
399.82300	0.5
408.25351	1.2
409.25693	3.4
435.21564	1.0
453.22925	0.9
469.27759	0.9
532.28784	1.3
575.26587	0.7
592.29291	3.6
593.32294	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99844	0.8
51.02376	1.3
53.03941	2.0
55.01855	1.8
55.05504	2.4
57.03436	1.4
57.07080	1.4
59.04977	0.8
65.03935	2.0
67.05502	25.7
69.03420	4.9
69.07085	1.6
69.76077	2.0
71.04985	6.8
72.25894	0.8
77.03923	1.6
79.05482	5.6
81.07053	17.5
81.63549	1.0
83.04983	2.8
85.06549	1.7
91.05456	8.2
93.07040	13.7
95.04967	21.4
95.08598	5.0
97.02889	19.3
97.03492	1.5
97.06517	1.9
98.23383	1.1
105.03389	57.7
105.04530	3.3
105.07020	9.1
107.04996	1.0
107.08585	4.9
109.06522	5.3
109.10195	1.2
111.04427	8.0
111.08102	1.5
113.05964	4.0
115.05388	1.0
117.07030	2.7
119.08566	22.7
121.06532	2.2
121.10146	8.3
123.04443	2.4
123.08073	1.0
124.03922	2.2
128.06194	1.7
129.05531	0.9
129.06993	3.4
131.08563	10.8
133.06494	1.3
133.08562	0.9
133.10120	7.9
135.08095	1.2
137.05984	2.3
137.09637	1.6
139.07515	1.2
141.05461	17.0
141.07018	1.8
142.07758	4.5
143.08560	8.4
144.09332	1.4
145.10114	9.0
147.08057	3.2
147.11722	1.9
149.09604	2.7
153.06985	1.3
154.18123	0.7
155.07039	17.5
155.08521	5.4
156.09311	6.0
157.10110	16.1
158.10909	3.7
159.08113	2.0
159.11707	11.0
161.09645	2.7
163.11160	1.1
165.07077	1.6
167.07314	1.0
167.08482	4.6
168.09352	1.5
169.10115	11.5
170.10835	4.6
171.08234	0.8
171.11681	24.2
172.08759	0.9
172.12206	1.1
173.09613	3.0
173.13246	21.4
175.11221	1.0
177.09091	1.0
179.08614	2.7
180.09309	2.7
181.10156	3.3
182.10905	3.0
183.10112	1.5
183.11658	11.9
184.12439	3.7
185.09674	1.2
185.13248	11.0
187.11137	5.0
187.14720	1.7
192.09361	2.2
193.08580	1.5
193.10141	5.6
194.10936	4.5
195.11707	6.3
196.12479	2.2
197.09538	1.3
197.13251	22.1
199.11066	1.2
199.14833	2.6
201.12712	5.9
202.13464	1.2
203.10596	0.9
203.14323	2.0
205.10126	3.0
206.10803	2.2
207.11687	7.5
208.12372	1.8
209.09773	1.0
209.13239	10.7
210.14046	1.0
211.11220	2.0
211.14841	6.1
213.12831	1.0
215.14310	2.5
219.11697	3.0
220.12447	16.4
221.13232	4.9
223.11131	1.0
223.14865	3.3
225.12773	1.3
225.16302	5.8
233.13243	1.8
234.14104	2.4
235.11244	1.2
235.14812	28.6
236.15340	1.2
237.12787	1.7
238.13663	1.0
239.18027	1.8
247.11137	0.9
249.16283	5.8
251.14323	3.5
253.12302	1.1
253.15897	4.9
255.13815	1.8
259.14859	1.1
262.13461	1.4
267.17358	2.3
269.15332	3.8
271.16943	2.4
277.15720	5.1
280.14728	1.6
285.18518	3.0
295.16901	16.6
303.19540	3.7
313.17960	100.0
314.18253	4.9
331.18985	14.8
340.41351	0.8
435.22000	1.4
445.75140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94125	1.8
53.03945	3.9
54.98595	2.0
67.05494	3.9
69.07064	3.9
69.26598	10.3
77.03928	3.3
79.05487	5.7
81.03419	5.3
81.07050	8.6
89.06020	5.2
91.05486	5.2
93.07031	17.6
95.04984	13.4
95.08604	8.3
98.22707	3.5
105.03391	100.0
105.04519	7.9
105.07020	10.3
107.08594	11.7
109.06528	2.8
117.07051	2.7
119.08549	6.1
121.06486	3.0
121.10156	6.0
127.03918	4.9
131.08582	7.2
133.10121	3.5
135.08046	4.6
139.07585	2.2
142.07837	2.2
143.08534	5.9
145.10085	9.4
147.08043	2.3
147.11752	3.1
149.09621	2.2
149.13248	31.6
155.08588	5.9
156.09406	3.0
156.96364	2.3
157.10088	13.1
159.08081	3.3
159.11636	8.8
161.09579	3.6
169.10172	10.0
171.11679	8.6
173.09625	6.0
173.13287	7.1
175.11189	2.7
179.08569	2.5
181.10068	4.1
182.10854	2.0
183.11713	8.8
185.13232	3.9
187.11182	5.4
187.14780	10.0
189.12794	2.6
193.10097	5.1
194.11052	2.3
195.11719	2.0
196.12378	2.7
197.13193	6.5
199.14803	3.5
201.09094	2.5
201.12781	2.6
201.16563	3.0
205.15883	8.4
207.11723	6.8
209.13216	4.4
211.14807	20.6
213.12770	2.2
213.16391	5.3
215.14377	5.9
220.12511	4.5
221.13232	3.3
225.12582	2.1
225.16383	6.7
229.12274	2.4
235.14685	11.2
236.15482	3.7
239.17920	3.2
249.16422	4.2
253.12225	3.3
253.15915	5.1
263.12759	2.4
267.17422	3.1
271.16879	6.6
280.14798	2.3
285.18417	9.7
291.17462	2.4
295.16879	21.8
298.15982	2.0
303.19501	10.7
313.17941	43.1
314.18365	2.8
331.18982	25.2
435.21664	17.2
522.57050	1.9
529.05023	2.2
535.90479	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.3
53.03941	3.0
55.05510	2.6
62.81544	1.2
67.05505	3.9
69.03418	1.7
69.88925	3.0
69.89252	1.6
77.03915	3.6
79.05486	5.9
81.03462	1.8
81.07058	5.7
83.05006	2.0
86.81863	1.4
91.05488	5.6
93.07046	9.3
95.04967	15.1
95.08601	6.9
97.02883	4.6
105.03392	100.0
105.04408	6.1
105.07043	9.6
107.08613	7.8
109.06520	2.5
109.10175	1.6
111.04423	1.8
117.07013	3.4
119.08576	13.1
121.06498	1.8
121.10176	6.3
128.06204	1.7
128.87160	1.3
129.06973	2.4
131.08557	5.8
133.06537	1.5
133.10143	9.0
133.11087	1.8
135.08061	4.4
142.07800	1.7
143.08533	8.0
144.09364	2.2
145.10118	15.0
147.08055	2.1
147.11688	5.2
149.13275	4.2
155.08551	5.9
156.09312	6.4
157.10129	11.4
159.08069	4.2
159.11705	7.9
161.09641	4.0
165.07019	2.0
167.08575	3.5
168.09375	1.9
169.10143	14.9
170.10883	4.1
171.11714	10.9
173.09680	6.8
173.13278	6.6
175.11241	3.0
175.14909	1.8
177.12852	2.3
179.08461	3.3
181.08609	2.6
181.10139	10.5
182.10852	2.8
183.11729	8.4
185.09656	3.2
185.13263	4.9
187.11230	4.7
187.14796	10.6
189.12773	1.7
192.09338	5.5
193.10120	14.4
194.10892	2.4
195.11690	6.2
196.12463	11.1
197.13313	8.3
198.14061	3.2
199.11177	1.7
201.12756	2.5
203.10631	2.8
205.10126	3.9
205.15825	2.7
206.10941	1.7
207.11694	16.2
208.12289	2.5
209.13239	6.0
210.13889	1.7
211.11182	5.7
211.14806	36.3
213.16374	2.4
215.10803	1.8
215.14273	7.5
218.53661	1.5
219.11714	3.1
220.12480	7.5
221.13283	7.4
222.14043	2.0
223.14786	3.4
225.12717	3.4
225.16396	4.0
227.14351	1.7
231.10165	4.1
231.17574	1.5
233.13290	1.8
234.14032	4.4
235.14816	19.7
236.15489	3.6
237.16469	1.6
239.10690	1.9
239.14394	2.0
249.16341	8.1
253.12234	9.9
253.15955	4.2
257.11621	2.7
266.13052	2.9
267.13718	2.4
267.17471	3.9
270.89807	1.8
271.13104	2.2
271.16864	3.5
277.15921	2.4
280.14655	3.2
285.14832	3.6
285.18497	4.3
287.16397	3.2
291.17462	4.6
295.16895	39.8
296.17120	1.3
303.19577	4.7
313.17972	61.2
331.18991	17.2
416.90085	1.3
432.79837	1.4
435.21649	53.5
436.22070	2.5
564.30920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.6
51.02374	1.4
53.03939	2.3
55.01868	1.0
55.05505	2.2
57.07061	0.5
65.03919	0.8
67.05495	6.4
69.03415	1.4
69.07063	2.4
69.31461	0.7
69.31870	1.9
70.22259	0.4
71.04988	1.5
73.11932	0.4
77.03924	2.6
79.05495	3.6
81.03407	0.6
81.07054	5.3
83.04963	1.4
83.08620	0.6
85.02887	0.5
87.04446	0.5
89.06017	0.5
91.05463	5.3
93.07037	5.5
94.67278	0.4
95.04957	15.1
95.08596	5.6
97.02874	5.2
97.06521	1.0
102.14341	0.4
105.03383	100.0
105.04516	6.0
105.07021	8.7
106.03699	1.2
107.08588	4.3
109.06515	1.9
109.10140	1.3
111.04434	3.9
111.08073	1.3
113.05998	0.6
117.06967	2.6
119.04897	0.4
119.08556	10.4
121.06487	1.5
121.10142	5.2
123.04446	0.8
123.08041	1.0
128.06212	0.9
129.06966	2.1
131.08556	6.2
133.06479	1.2
133.10120	5.6
135.08043	1.7
137.09567	1.1
139.07539	1.1
141.05423	1.9
141.06982	1.8
142.07744	1.3
143.08548	5.4
144.09296	0.8
145.10114	7.4
147.08064	2.4
147.11662	1.7
149.09595	2.8
154.07736	0.9
155.07030	6.0
155.08534	5.0
156.09308	2.3
157.10100	6.8
158.10854	0.8
159.08058	1.5
159.11682	6.1
159.12959	0.7
161.09592	2.2
161.13222	1.2
163.07504	0.8
163.11147	1.1
165.06940	0.8
165.09079	0.6
167.07147	0.7
167.08566	1.5
168.09331	1.6
169.10104	6.6
170.10866	1.6
171.08009	0.7
171.11668	4.9
172.12318	0.5
173.09654	2.6
173.13232	9.6
174.10345	0.5
175.11107	2.0
175.14792	1.1
177.09027	0.4
177.12730	0.7
178.07664	0.6
179.08467	2.0
180.09370	0.4
181.08791	0.5
181.10052	2.4
182.10892	1.8
183.10101	0.4
183.11649	8.2
184.07324	0.8
184.12390	1.3
185.09654	1.2
185.13197	3.9
186.10443	0.4
187.11154	2.7
187.14781	2.1
189.12770	0.6
191.10663	0.5
192.09352	1.3
193.10077	2.5
194.10873	0.9
195.11676	2.5
196.12474	1.5
197.09546	1.3
197.13232	8.5
198.13701	0.5
199.11087	0.6
199.14833	2.2
201.09128	0.9
201.12708	3.6
201.16374	1.0
202.13498	1.1
203.10602	1.1
203.14290	4.1
205.10202	0.8
206.10878	1.0
207.11630	2.9
208.12477	0.7
209.09843	0.5
209.13379	2.6
210.14024	0.7
211.11205	2.2
211.14807	3.7
213.12770	1.0
213.16426	0.6
215.10641	1.2
215.14314	2.9
217.12413	0.4
219.11818	0.9
219.13777	0.7
220.12488	2.7
221.13293	1.0
223.05484	0.5
223.14822	0.9
225.12781	1.2
225.16365	5.3
227.14371	0.5
229.12187	1.0
229.15855	0.6
233.13278	0.5
234.14024	0.9
235.14784	6.0
237.12849	0.7
239.14249	0.8
239.17928	1.5
243.13750	0.9
243.17531	0.8
247.13393	0.5
249.16353	2.1
251.14209	0.5
251.17857	0.5
253.12219	0.9
253.15875	3.9
257.15424	0.6
261.14868	3.9
261.18610	0.5
267.17365	3.2
271.13559	0.6
271.16901	2.1
277.15823	1.4
283.16788	0.5
285.18445	5.8
295.16891	7.8
296.17151	0.5
303.19501	6.7
313.17935	47.0
314.18158	2.1
316.20953	0.5
331.18991	24.3
332.19308	0.8
404.70401	0.4
435.21585	4.5
453.22748	2.2
557.24585	0.5
575.26141	0.9
591.81604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.8
57.07070	5.4
58.40380	3.7
61.02915	6.3
67.05503	37.5
69.03439	8.9
69.07060	16.4
69.18990	16.3
69.19389	9.4
71.04984	8.8
73.02950	4.3
79.05494	34.0
81.03423	12.2
81.07055	76.3
83.04971	24.2
83.08594	8.7
85.02907	15.1
85.06538	13.7
91.05480	30.5
93.07029	38.5
95.04964	7.9
95.08612	55.4
97.02891	10.2
97.06525	12.2
97.10133	6.7
99.08085	4.5
105.07023	76.8
107.08585	42.3
109.06530	4.7
109.10173	31.0
109.89323	4.7
111.08084	4.0
117.07025	18.7
117.16275	4.3
118.03437	3.8
119.04897	3.9
119.08572	51.8
121.06504	12.7
121.10171	25.7
123.11710	15.6
125.09654	5.7
128.06248	4.5
129.07022	14.8
131.08563	53.3
133.10107	34.9
135.08078	12.8
135.11690	22.3
137.09601	7.6
139.11197	4.6
142.07745	6.3
142.30948	4.1
143.08554	30.3
143.10619	4.1
145.10114	86.8
147.04396	6.0
147.11673	38.8
149.09616	13.8
149.13249	18.1
151.07552	7.3
155.08527	11.6
156.09334	9.5
157.10117	33.5
159.11705	38.6
161.09538	6.1
161.13284	20.4
163.07599	4.6
163.11166	23.1
163.14806	8.6
165.12758	9.8
169.10069	20.4
171.11665	42.7
173.09564	7.6
173.13281	30.5
175.14815	10.7
182.10927	5.3
183.11699	14.4
185.13258	32.6
187.14821	15.5
189.12779	13.4
191.10686	9.3
193.15770	4.4
193.47760	4.7
197.13205	13.2
199.11090	5.5
199.14851	23.9
201.12822	4.4
201.16408	8.2
203.14384	6.9
205.12276	8.5
211.14862	12.0
213.16397	7.5
215.17969	4.6
217.12271	12.3
219.13776	8.8
225.16420	8.4
227.17931	15.5
231.13829	5.8
241.19522	4.9
243.20955	7.0
247.17006	5.5
253.19473	21.2
255.21136	24.6
257.15665	5.1
259.20590	5.6
261.22202	8.7
271.20557	49.8
271.36151	4.3
273.22125	8.7
287.20102	12.3
289.21606	100.0
291.23175	6.8
299.20004	45.2
307.22672	38.5
317.21082	96.8
335.22137	48.9
353.23300	15.9
357.42700	5.0
407.58963	4.1
413.25140	8.0
437.55231	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	592.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	44.8
64.43660	5.0
67.05520	5.1
69.07058	8.0
69.34125	27.6
71.08630	26.9
73.06545	12.4
74.58531	5.3
79.05505	7.6
81.07050	10.8
85.10164	19.2
87.04465	18.3
89.06031	100.0
89.91239	5.9
91.05506	6.0
93.07057	7.8
98.14952	5.0
105.07028	51.2
119.08506	7.2
131.08618	6.2
133.08583	45.4
177.11230	16.6
208.05054	5.9
257.24768	7.4
274.57733	5.6
327.20151	13.0
350.78970	6.1
389.59793	6.2
462.09189	5.6
495.38647	47.9
512.41553	7.6
549.14478	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	593.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
53.43108	0.2
55.01868	0.3
68.99795	0.2
69.03431	1.0
69.60352	0.7
71.05012	0.2
81.03436	0.8
85.02908	0.8
87.00833	0.2
93.03426	0.2
97.02873	0.5
99.04463	0.2
103.03945	0.2
109.02916	0.5
111.38661	0.2
119.05033	0.2
127.03918	0.8
129.06996	0.3
132.05704	1.3
133.06476	2.3
134.07268	0.4
135.04404	2.0
135.81036	0.2
138.05527	0.5
140.03517	0.2
141.06978	1.1
152.01077	0.3
153.07001	0.4
154.99774	0.8
159.08070	0.2
161.05983	0.9
163.07523	0.3
165.32368	0.2
169.06474	4.4
170.02155	0.4
171.08060	0.5
177.05505	0.6
180.00546	0.3
181.06537	0.5
182.15071	0.2
182.99266	1.3
183.08066	0.3
184.08844	2.7
185.05968	0.8
187.06137	0.2
197.05966	4.3
197.07785	0.3
198.01576	0.9
198.37553	0.2
199.07532	0.5
200.08308	0.6
201.00317	1.5
201.05444	0.2
204.44643	0.2
209.21539	0.2
211.07509	1.0
212.08315	2.3
213.03906	0.6
213.05618	0.4
216.02591	0.2
220.09724	0.3
225.05452	1.5
227.07025	2.6
228.04169	0.7
228.07790	3.3
229.04968	0.4
239.07091	0.6
240.07796	9.1
245.08035	1.5
255.06543	0.6
256.07224	1.0
263.09128	1.6
282.05209	0.2
283.06061	0.6
284.06805	2.8
287.05515	1.9
299.05493	0.4
300.06116	0.9
301.07104	0.4
311.05347	0.4
312.06265	24.7
313.06735	0.9
315.04965	16.9
316.05353	0.5
329.06436	0.6
330.07315	19.3
331.07672	0.6
339.13586	0.2
343.08313	0.4
345.09671	100.0
346.09998	4.0
367.13046	0.2
387.10541	0.3
393.32373	0.2
507.14392	0.3
549.15601	0.8
593.14740	6.1
594.14600	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	593.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01873	0.3
68.99790	0.2
69.03421	1.1
69.17990	0.2
69.26603	0.4
69.26987	0.6
78.42490	0.2
79.47009	0.2
81.03407	0.6
84.23319	0.2
85.02905	1.0
85.80845	0.2
87.00805	0.4
90.41183	0.2
97.02856	0.4
99.04456	0.3
109.02871	0.5
124.01607	0.2
124.03961	0.2
127.03915	0.8
128.23024	0.2
132.05719	1.2
133.06496	1.9
134.07277	0.3
135.04410	1.5
138.05435	0.4
141.06975	0.7
152.01022	0.4
153.06969	0.4
154.99742	0.7
161.05995	0.7
163.07567	0.3
168.05602	0.2
169.06490	3.9
172.08791	0.2
177.05438	0.5
181.06458	0.5
182.07251	0.2
182.99214	1.2
183.08084	0.3
184.08806	2.3
185.05952	0.5
197.05974	3.3
198.01614	0.9
199.07454	0.4
200.08311	0.4
201.00218	1.1
203.07004	0.3
203.45467	0.2
211.07567	0.8
212.08267	2.0
213.03905	0.5
213.05624	0.3
217.08768	0.2
225.05423	1.4
227.06987	2.2
228.04153	0.5
228.07796	2.3
229.05008	0.5
239.06924	0.7
240.07788	8.7
241.04971	0.3
241.08034	0.3
245.08142	1.4
255.06584	0.5
256.07281	0.8
261.07434	0.2
263.09198	1.5
282.05264	0.2
283.05988	0.5
284.06784	1.9
285.07700	0.2
287.05463	1.4
300.06155	0.9
301.06961	0.4
311.05380	0.3
312.06259	25.2
313.06735	1.0
315.04959	14.9
316.05173	0.4
329.06467	0.8
330.07309	18.2
331.07608	0.9
343.08142	0.9
345.09662	100.0
346.10016	4.0
387.10855	0.4
507.15430	0.3
549.15808	0.8
593.14886	5.9
594.14893	0.4
599.97327	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	593.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.7
69.07069	0.5
69.36744	1.0
69.37130	0.9
81.03429	0.8
81.07050	0.6
85.02927	0.6
87.00849	0.5
91.05469	0.8
95.04955	0.6
97.02888	0.8
97.06506	0.8
108.02098	2.5
109.02885	0.5
119.04945	0.7
127.03860	0.5
129.10229	0.4
136.01556	1.0
138.05467	0.8
147.04378	1.2
148.05186	5.5
149.05975	2.4
151.03902	2.3
154.02617	1.7
169.01340	0.9
175.03896	1.1
185.05988	0.7
188.97983	0.7
202.11189	0.5
206.99078	0.5
207.06529	0.7
219.02872	2.6
241.04962	1.3
256.07220	1.5
259.06213	0.5
269.04407	4.1
279.02597	1.6
284.06778	22.4
285.07126	0.6
287.05392	1.8
289.07193	0.4
297.04053	2.2
301.07376	0.6
302.07874	0.8
302.50974	0.5
307.02109	33.6
308.02322	1.3
309.03506	2.1
312.06274	19.7
313.06711	0.9
315.04977	1.8
329.06564	1.8
330.07330	14.6
331.07599	0.4
345.09677	100.0
346.09961	3.7
373.46857	0.4
417.14612	0.8
593.22662	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	593.156
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99790	10.9
69.07782	22.3
69.08189	5.6
70.56823	3.4
86.09687	5.4
87.90771	3.6
100.50914	3.4
103.05461	17.5
104.10736	28.9
109.85336	3.8
110.02411	8.9
115.25023	3.4
125.13782	4.0
129.36053	3.6
131.04948	33.3
132.05263	6.0
138.01852	57.3
147.00774	4.1
156.02977	5.4
165.01834	17.2
166.01326	58.9
168.02937	5.6
170.04486	3.5
178.01341	10.9
183.02878	10.5
184.02400	14.0
202.01331	16.4
216.02872	5.0
221.00816	53.2
225.05489	21.3
228.03067	4.1
230.00798	19.3
233.01991	8.6
234.00409	7.0
242.08188	20.8
244.02492	3.6
248.01846	9.3
251.03065	4.0
261.11902	3.7
270.07599	99.0
282.07822	4.1
283.07874	5.6
304.05786	4.9
307.05786	4.5
312.01370	9.4
324.08670	51.5
325.06952	56.1
330.30127	4.9
337.08182	13.5
340.00870	68.9
358.02032	17.2
368.00320	11.9
408.22385	3.6
411.09335	4.4
444.07349	38.0
458.04785	3.9
472.06140	9.9
548.13055	10.9
565.34381	4.3
576.12860	100.0
593.20685	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	593.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.7
56.05020	0.6
57.88030	0.6
67.05466	0.6
67.44145	0.5
68.99786	0.6
69.35260	3.2
70.06590	8.6
77.03907	1.3
91.05451	1.1
95.04962	5.4
98.22792	1.3
103.05467	46.3
104.05769	0.6
105.04510	1.0
110.06017	1.3
121.02820	1.4
122.08285	0.5
127.03937	0.7
131.04924	100.0
132.05249	1.9
138.01895	0.9
138.05453	1.1
147.04453	1.0
152.03471	0.8
173.06081	0.8
178.01344	2.7
180.02910	0.8
184.02451	0.7
192.06644	0.7
196.02383	1.1
200.10701	3.8
204.02948	0.9
206.04445	1.1
215.71667	0.8
218.04535	0.9
220.02571	0.7
220.05968	0.7
224.01898	2.6
230.04535	0.8
240.06668	0.8
241.05000	0.7
244.06154	0.8
246.04050	1.0
256.06369	0.7
268.06036	1.1
270.07645	0.7
282.04095	1.0
282.07574	1.8
286.03595	0.9
300.05042	1.1
310.03745	0.9
312.05112	1.0
314.99615	1.6
324.12216	0.8
340.04694	1.0
342.06030	1.2
342.98947	1.0
345.17001	1.6
349.04623	1.2
356.03613	0.8
367.05789	1.4
368.04031	0.8
378.06125	0.7
420.07101	1.9
435.15475	1.1
442.09149	1.1
445.13998	2.0
453.10809	2.6
456.00177	0.6
461.13467	2.2
463.15018	8.9
471.12347	3.2
472.10040	0.7
489.13608	9.2
520.14081	2.5
524.13593	1.2
528.14886	1.0
546.15381	1.0
547.18225	0.7
557.17322	3.0
565.20074	1.4
575.18085	5.9
576.16455	1.4
593.19208	28.8
593.28387	0.9
594.20093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2148
Annotation	Renieramycin I
Peak:m/z	Relative Intensity
67.05512	0.9
68.81522	0.4
69.08767	0.6
69.09175	2.4
72.22025	0.4
73.25756	0.4
80.94868	1.2
86.78071	0.4
93.07054	0.5
98.23438	0.8
105.03363	0.5
105.07064	0.8
107.08611	0.5
109.10157	0.5
119.08568	0.4
121.54259	0.4
124.03955	2.2
199.50093	0.4
217.67284	0.4
280.75998	0.4
298.04733	1.1
301.07166	0.5
313.07169	1.6
419.15082	0.5
421.21799	0.4
471.17731	13.9
593.21436	100.0
593.32294	5.1
594.21545	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	593.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01892	0.1
53.03926	0.3
55.05495	0.1
67.05499	0.2
69.07062	0.2
69.76176	0.4
78.03440	1.2
79.04258	0.2
79.05475	0.5
80.04539	0.2
80.05007	4.4
81.03421	0.2
81.07047	0.2
83.04952	0.1
87.04446	0.1
89.06024	0.3
91.05466	0.4
93.07042	0.4
95.04956	0.5
95.08599	0.4
96.04483	4.2
97.02873	0.2
105.07017	1.1
106.02892	1.7
107.08559	0.4
109.06516	0.3
109.10079	0.1
115.05436	0.2
117.07032	0.2
119.08563	1.1
121.06489	0.2
124.03936	100.0
125.04266	1.3
127.01545	0.2
128.06236	0.1
129.07028	0.1
131.08539	0.5
133.06412	0.1
133.10110	0.5
137.05928	0.2
140.03372	0.2
141.06981	0.2
143.08560	0.3
145.10101	0.9
147.08023	0.2
147.11644	0.3
149.09587	0.2
153.03099	0.3
155.08519	0.5
156.09340	0.4
157.10089	1.0
159.11655	0.6
161.09645	0.2
165.07019	0.2
167.08505	0.3
169.10138	0.9
170.10881	0.6
171.08029	0.1
171.11673	1.3
172.12312	0.2
173.09598	0.4
173.13211	0.5
175.26187	0.1
179.08441	0.2
180.09361	0.1
181.10056	1.1
182.10823	0.3
183.08054	0.2
183.11652	0.8
184.12541	0.2
185.09660	0.3
185.13237	0.6
187.11183	0.3
187.14778	1.0
189.12741	0.2
193.10190	0.3
194.10851	0.2
195.11539	0.6
196.12430	0.8
197.05655	0.2
197.13266	0.7
199.11269	0.2
199.14844	0.7
201.09038	0.2
201.12741	0.2
201.16322	0.2
203.14282	0.2
207.11710	0.5
208.12442	0.5
209.09608	0.4
209.13254	0.5
211.14781	6.7
212.15440	0.6
213.09219	0.2
213.12624	0.3
213.16298	0.2
215.14337	0.4
221.13274	0.3
222.13989	0.1
223.11232	0.3
223.14803	1.2
227.10675	0.2
227.14296	0.5
229.15918	0.7
233.13188	0.6
234.13867	0.2
237.16362	0.3
241.12108	0.2
241.15848	0.4
247.09583	0.3
247.14743	0.3
251.14273	2.9
255.17290	0.2
265.15881	0.6
267.17374	0.2
267.59369	0.2
269.15320	0.6
283.16901	0.6
285.14944	0.2
287.16467	0.2
292.16919	0.3
293.15277	1.1
301.17795	0.4
311.16367	1.4
329.17410	3.1
330.17685	0.2
347.18732	0.3
411.38419	0.2
434.19482	0.2
452.20670	2.1
470.21793	1.1
499.64273	0.2
584.85034	0.2
593.25366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67946	0.1
51.02363	0.1
52.01896	0.1
52.03141	0.1
53.03941	0.2
55.05497	0.1
62.73648	0.1
67.05491	0.1
68.05012	0.2
69.03429	0.1
69.07051	0.1
69.83447	0.1
69.83827	0.1
78.03443	1.0
79.04234	0.2
79.05479	0.1
80.05010	4.8
81.07042	0.1
91.05483	0.2
93.07031	0.3
93.58057	0.1
95.04974	0.1
95.08594	0.3
96.04485	3.6
98.23468	0.1
105.07023	0.4
106.02891	0.7
107.08591	0.2
108.04478	0.1
109.06516	0.1
111.04433	0.1
117.06938	0.1
119.08521	0.4
121.10146	0.2
123.08083	0.1
124.03941	100.0
125.04273	0.9
129.07025	0.1
131.08566	0.3
133.10136	0.2
135.08049	0.2
135.11740	0.1
139.07535	0.1
140.03427	0.2
141.07022	0.1
142.07784	0.1
143.03423	0.1
143.08566	0.2
145.10127	0.3
147.08047	0.1
147.11676	0.1
149.09610	0.2
149.13231	0.1
151.97324	0.1
155.08507	0.1
156.09354	0.2
157.04980	0.2
157.10120	0.3
159.11678	0.5
161.09642	0.1
165.07057	0.1
167.08571	0.1
169.10101	0.2
170.10886	0.1
171.11650	0.6
173.09642	0.2
173.13203	0.3
175.11266	0.1
177.12833	0.1
181.10092	0.3
183.11700	0.2
185.13251	0.2
187.14827	0.3
188.11958	0.1
189.12737	0.1
193.10191	0.2
195.11714	0.3
196.12421	0.1
197.08116	0.1
197.13219	0.2
199.14783	0.1
201.09116	0.1
203.14169	0.1
205.15878	0.1
206.10883	0.1
207.11627	0.2
208.12416	0.1
209.09669	0.1
209.13293	0.1
211.14807	0.4
213.16333	0.1
215.14340	0.1
217.15906	0.1
221.13293	0.3
223.11067	0.1
223.14696	0.2
225.16522	0.1
227.10680	0.1
235.14920	0.1
236.15587	0.7
237.11098	0.7
237.16370	0.2
239.14146	0.1
241.12212	0.1
241.15889	0.1
242.77591	0.1
247.09630	0.2
247.14804	0.1
251.10617	0.3
251.14272	0.1
254.16623	0.1
255.10023	0.1
255.17455	0.1
265.15833	0.2
269.11792	0.2
269.15378	0.1
271.13263	0.2
275.14258	0.1
283.16925	0.3
287.16345	0.2
289.17950	0.1
292.16943	0.2
293.15295	0.9
301.14365	0.2
301.17816	0.1
311.16348	0.3
319.18924	0.3
329.17435	4.4
330.17923	0.2
347.18460	0.7
403.03445	0.1
447.36505	0.1
452.20645	2.4
453.21045	0.1
470.21732	1.9
479.42700	0.1
593.25220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.0
51.02368	2.0
53.03952	0.6
55.01876	0.6
55.05507	1.1
66.13850	0.5
67.05499	2.7
69.03420	0.9
69.07044	0.7
69.79411	1.8
71.04974	0.5
74.88326	0.4
77.61075	0.5
78.03450	27.9
78.89899	0.6
79.05486	1.5
80.05013	4.4
81.03427	0.7
81.07043	2.2
83.04948	0.7
85.02891	0.8
87.04456	1.1
88.95300	0.5
89.06021	0.6
91.05476	3.0
93.07034	2.3
95.04965	1.3
95.08588	1.6
95.29077	0.5
96.04488	8.7
97.02897	1.4
97.06538	0.9
98.22818	0.8
100.27862	0.5
105.07027	3.3
106.02914	69.9
107.03291	0.8
107.08574	2.3
109.06528	1.6
109.10199	0.9
111.04435	1.4
111.08107	1.0
115.05474	0.5
117.07001	0.9
119.08559	3.4
121.06502	1.1
121.10130	1.1
123.08037	1.5
124.03948	100.0
125.04250	0.8
127.03915	0.8
128.06224	1.0
129.06998	1.2
131.08577	2.4
132.33623	0.5
133.06480	0.7
133.10117	1.9
135.08055	4.0
138.05522	4.6
139.05815	2.0
140.05957	0.6
141.06985	0.6
142.07784	1.3
143.08568	3.0
145.06563	0.6
145.10120	2.3
147.08060	1.6
147.11646	0.6
149.09639	0.9
155.07109	0.8
155.08571	1.6
156.09355	2.1
157.10132	3.5
159.08075	1.3
159.11684	1.8
161.09642	1.3
165.06920	0.6
166.07880	0.6
167.08562	1.0
169.10158	2.1
170.10909	1.1
171.08116	0.9
171.11659	2.9
173.09650	1.7
173.13246	1.7
175.11209	2.2
179.08530	1.2
180.09256	0.6
181.08635	1.0
181.10114	2.9
183.11700	1.7
185.09621	2.1
185.13255	1.9
186.10391	1.5
187.11186	1.5
189.12727	0.7
192.09305	0.7
193.10159	2.0
193.87038	0.5
194.10889	2.0
195.11681	2.6
196.12671	0.5
197.09601	0.7
197.13234	0.7
199.11208	2.2
199.14766	0.9
200.11923	1.7
201.12700	2.6
203.10533	0.6
207.11726	2.2
208.12483	1.3
209.09705	1.2
209.13235	3.6
211.11226	1.1
211.14659	0.7
213.12830	2.6
217.10184	0.6
217.12207	0.9
218.10950	0.5
221.13272	0.9
223.11238	1.6
223.14806	3.9
225.12746	1.2
227.14229	0.7
229.06120	1.9
233.13332	1.1
235.11273	1.0
236.12149	0.7
237.12764	0.6
237.16286	0.8
241.15915	0.7
247.00726	0.6
251.14345	3.4
265.15833	1.2
269.15466	1.5
283.16898	0.8
287.16638	0.8
290.15454	0.6
292.54767	0.5
293.15472	1.1
301.17874	0.6
307.02148	1.1
311.16394	5.0
329.17554	3.4
331.07968	0.6
345.09695	0.9
358.76367	0.5
434.19543	2.8
452.20544	6.3
575.23883	69.7
576.24127	4.1
593.09894	1.0
593.24908	22.8
594.24896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
52.88470	0.5
55.05507	0.6
60.02082	0.5
61.73844	0.5
67.05486	1.1
69.03420	1.1
69.07043	0.9
71.04982	0.5
71.42920	0.5
73.02914	0.7
78.03448	11.7
79.05496	1.5
80.05023	4.5
81.03395	0.6
81.07063	1.0
83.04978	1.2
85.02887	1.0
89.06021	1.6
91.05464	1.4
91.55552	0.4
93.07056	1.1
95.08592	0.6
96.04489	6.7
97.02882	1.0
97.06509	0.6
98.08217	0.4
105.01865	0.6
105.07028	2.1
106.02911	37.6
107.04979	0.5
107.08617	3.1
108.03624	0.4
109.06517	0.9
110.37711	0.4
115.91263	0.5
117.06993	0.8
119.08566	2.9
121.10144	0.7
123.08007	0.6
124.03947	100.0
125.04315	1.2
127.01557	1.6
129.06992	0.8
130.13329	0.5
131.08559	0.8
133.06497	1.0
133.08591	0.8
133.10147	1.5
135.08075	1.6
138.05486	4.1
139.05823	1.4
142.07796	1.3
143.08563	0.7
145.10095	1.1
149.09622	0.8
153.03073	0.9
155.07104	0.5
155.08476	0.6
156.09341	1.2
157.10083	2.8
159.11676	1.4
160.30104	0.5
169.10103	1.2
170.10880	1.0
171.11632	3.4
173.09615	0.8
173.13257	1.1
179.08545	1.1
181.10165	1.2
183.11548	1.0
185.13283	1.6
187.11055	0.5
193.10138	1.2
195.11618	0.7
197.13287	1.2
199.11278	0.8
199.14919	0.5
200.12027	0.5
201.12790	0.9
206.10806	0.6
207.11734	1.0
208.12469	1.0
209.13254	1.8
223.14775	3.6
247.06120	0.7
251.14305	1.6
260.36981	0.6
265.15912	0.9
269.15335	1.0
283.16885	0.8
289.05203	2.3
293.15164	0.9
311.16385	1.6
318.13382	2.1
327.22916	0.5
364.19006	0.6
409.75159	0.5
434.19714	2.5
452.11627	0.7
452.20703	1.4
465.08987	0.5
470.21713	54.6
471.22043	2.3
507.28427	0.6
549.30334	0.6
575.28131	1.4
593.23590	3.2
593.28418	3.5
601.09399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23139	4.1
69.23552	2.4
184.08521	1.0
185.82309	1.3
244.17986	1.1
263.10593	1.2
403.19138	2.0
405.21072	1.3
417.20648	3.0
431.18399	5.0
432.18997	1.4
433.24063	5.0
445.19785	7.7
446.20938	2.1
447.21597	2.1
459.21521	2.1
460.22455	5.8
461.23163	8.6
473.23587	1.3
474.24448	1.3
487.25168	1.3
505.22568	4.2
533.25476	30.1
534.26050	3.5
571.83868	1.3
593.27563	100.0
594.27911	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	593.276
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.30715	0.6
69.42114	3.6
84.53159	0.7
87.04450	0.9
93.07041	0.9
99.71461	0.7
105.07038	2.1
116.62596	0.7
123.91521	0.8
233.10707	0.8
242.09218	0.7
389.17487	1.8
402.18497	1.1
403.19223	3.2
404.20193	1.2
405.20782	2.7
416.20349	1.1
417.16309	1.4
417.21683	3.9
418.21640	2.0
419.22305	4.8
431.18073	8.5
432.19131	2.0
433.24228	7.3
434.24564	1.6
445.19992	10.2
446.20801	6.2
447.21579	5.8
459.21832	3.0
460.22510	10.4
461.23346	8.9
462.24100	1.2
473.23349	1.7
474.24240	1.1
477.22552	1.1
491.24084	1.1
492.25677	1.0
505.22052	6.6
518.22937	1.4
519.23621	1.3
533.25458	25.3
534.25873	1.7
536.55103	0.7
593.27539	100.0
594.27765	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	593.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
57.07067	4.2
57.07849	0.9
70.36254	0.9
81.07076	1.6
85.06543	0.9
87.04482	1.7
89.05988	1.1
89.23636	0.7
91.05492	1.6
93.07054	1.9
105.07044	1.5
107.08640	1.9
109.10149	1.0
119.08625	1.3
124.03960	4.6
131.08521	1.2
138.05505	1.3
138.10468	0.8
145.10185	1.2
146.02150	1.3
203.05318	2.7
227.05214	1.4
245.06406	5.4
259.16708	1.5
287.03677	4.1
289.05280	56.7
290.05588	0.9
327.22919	31.0
328.23239	0.9
329.24402	3.9
345.24219	2.4
349.32135	0.8
471.19901	29.0
472.77563	0.9
507.29474	1.9
515.26904	0.9
530.42877	0.9
549.30359	27.9
575.28137	1.3
593.29297	100.0
594.30316	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	593.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82944	0.5
57.71700	0.5
59.04978	0.7
61.60162	0.5
67.05457	1.3
69.03383	0.6
69.07021	1.3
71.04966	0.8
73.02871	0.9
73.85378	0.5
79.05421	1.9
80.04987	0.8
80.05433	0.6
81.03373	1.5
81.07044	2.6
85.02833	1.7
85.33457	0.5
87.04412	1.0
89.05968	1.6
91.05422	1.6
93.06992	1.8
95.08546	1.1
96.04478	0.9
97.02818	1.0
97.06470	1.4
101.62190	0.5
102.65408	0.6
103.61681	0.5
105.06956	1.8
106.02841	2.2
107.08510	1.7
109.10120	0.9
116.10652	0.8
119.08531	0.8
121.02831	0.8
123.08033	0.6
124.03947	15.5
127.03894	0.7
131.08481	0.9
133.06514	0.6
133.08549	1.0
135.11674	1.0
138.05484	4.3
139.05762	1.3
147.04378	0.7
153.03052	0.6
157.10011	0.8
179.03287	2.2
185.04198	0.6
197.09639	0.6
202.33168	0.5
203.05241	3.1
203.10544	0.7
227.05246	1.3
229.03059	0.6
243.04732	0.7
245.06346	6.5
246.20787	0.6
247.05804	1.1
265.07104	1.3
270.27942	1.0
271.04239	0.9
277.17743	0.8
287.03564	3.1
289.05264	100.0
290.05588	1.7
327.16257	0.8
327.22931	12.7
329.24121	0.7
345.16937	11.8
345.23993	2.4
470.21906	3.2
507.29227	1.6
531.29291	0.7
548.26630	0.6
549.30280	16.9
550.30389	0.9
575.28552	2.9
593.29333	84.1
594.29828	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	594.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82460	2.8
53.03945	10.6
53.08378	2.6
55.01869	13.3
55.05513	3.2
57.03432	6.6
57.07076	33.8
61.02930	8.3
67.05505	3.4
68.99784	4.3
69.03423	48.4
71.04987	6.1
71.08630	35.5
71.42638	2.5
73.02913	9.5
78.04687	2.6
79.05495	4.1
81.03417	39.5
81.07059	5.4
85.02901	100.0
85.03414	5.3
85.10178	20.8
87.00826	39.2
87.04475	5.4
89.06014	4.6
91.05511	6.4
93.07050	3.7
95.04952	4.2
97.02883	39.1
99.04440	13.8
103.05471	8.3
103.24107	3.3
104.06245	18.9
105.01869	37.2
105.07027	7.6
106.02950	4.1
107.04951	8.1
108.04474	5.0
109.02873	63.3
113.13303	3.9
117.07039	10.1
118.07787	5.3
121.02888	4.6
124.03940	43.1
125.04313	10.7
126.05570	4.1
127.01603	3.8
127.03912	71.6
129.01845	4.1
131.08582	9.4
135.02620	5.2
138.05527	4.2
145.04971	22.2
145.10126	8.6
151.02159	5.7
159.02913	10.9
159.11687	5.8
167.01585	5.6
171.01096	73.9
173.13222	4.7
185.02654	88.6
185.04207	5.8
195.04744	3.7
199.04219	40.8
209.06465	4.5
213.04045	5.2
213.05844	21.2
225.34747	2.8
227.07312	19.8
231.05002	25.5
231.06900	3.7
241.08969	26.1
249.06027	5.5
255.10449	36.8
269.12079	13.4
311.16736	54.9
329.17834	6.9
354.96664	3.0
397.40649	3.3
508.18011	17.4
519.13452	18.2
550.19098	14.2
594.17743	30.7
594.26019	3.4
594.30768	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	594.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.6
50.03035	0.4
51.02375	1.3
54.35080	0.5
55.05503	1.3
65.03921	0.6
67.05497	1.6
68.78699	0.5
69.07104	0.6
73.06553	1.3
73.96582	0.5
78.03448	8.1
79.05482	2.0
80.05016	5.9
80.80461	0.5
81.07050	1.4
83.04965	0.8
83.83882	0.5
84.82417	0.6
85.06551	0.7
87.04481	1.3
89.06028	1.4
91.05476	4.2
93.07033	1.8
95.04958	1.6
95.08583	1.0
96.04488	6.8
97.16846	0.5
97.65284	0.5
100.01256	0.6
105.03400	0.7
105.06431	0.7
105.07036	5.8
106.02908	20.8
107.08585	1.5
109.06502	1.2
111.04414	1.3
115.07568	28.1
117.07019	6.8
119.04901	1.1
119.08572	30.5
120.08891	1.0
121.06515	1.1
121.10118	0.6
124.03944	100.0
125.04274	5.3
125.05932	0.6
128.06226	1.0
129.07014	2.0
129.25526	0.6
131.08560	3.1
132.09344	7.5
133.06480	0.7
133.08603	0.7
133.10129	1.9
135.08073	1.0
140.03450	0.5
141.05487	0.7
141.06938	0.8
142.07736	1.5
143.07033	2.3
143.08556	4.6
145.10143	1.8
147.08047	0.8
147.11673	0.9
149.09610	0.7
155.08539	1.9
156.09332	2.9
157.10146	4.4
158.00044	1.0
158.10934	1.1
159.08040	10.0
159.11668	2.7
163.07582	0.8
165.07060	1.3
166.07835	0.9
166.48854	0.6
167.08508	0.9
169.10129	2.5
170.10904	1.8
171.11708	2.6
173.09627	4.6
173.13254	1.2
174.10454	2.7
175.11134	0.8
178.07892	0.7
179.08516	3.3
180.09366	1.4
181.08655	0.9
181.10063	3.3
182.10944	0.9
183.11702	2.3
185.13316	0.9
186.10353	1.7
187.11143	1.1
191.08528	1.4
192.07860	0.7
192.09390	1.9
193.10120	5.0
194.10907	1.5
195.11665	3.3
197.09700	0.6
197.13243	1.6
201.12691	4.0
205.10106	1.7
206.10953	1.7
207.11674	5.7
208.12436	3.0
209.09639	1.0
209.13257	3.3
211.11177	0.7
213.09019	0.6
217.10117	1.3
219.11635	3.1
220.12450	1.6
221.09578	0.9
221.13223	2.7
223.11188	1.0
223.14815	4.6
225.12717	0.8
232.12318	0.8
233.13147	1.5
234.13998	2.3
235.11143	1.0
235.14771	1.8
236.12115	1.2
237.16367	1.1
247.14810	3.1
248.15578	0.8
249.16396	1.6
251.10652	1.2
251.14308	3.5
253.12260	1.8
260.12015	1.6
263.10699	1.0
265.15915	2.6
269.15402	4.1
275.14462	0.7
278.12918	1.2
283.17041	1.2
293.15353	6.6
311.16385	12.9
319.58856	0.6
343.00940	0.7
434.19772	4.0
435.19812	0.6
452.20514	0.8
534.24738	0.8
576.26056	3.7
594.19403	2.0
594.27655	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	594.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12516	0.5
55.98541	0.6
56.05047	0.7
57.07069	1.6
57.61861	0.5
57.78992	0.6
58.06604	1.1
60.08161	7.6
70.06592	2.0
71.07365	3.3
72.08158	0.9
86.09190	1.1
86.09695	14.7
88.07635	3.7
90.45727	0.6
100.07603	0.7
102.09155	1.2
102.92586	0.8
104.10738	100.0
105.07015	4.0
105.11068	1.0
118.92052	0.8
136.93092	2.7
154.94156	4.2
162.94676	2.0
172.95232	4.6
180.95718	8.0
190.96234	1.5
195.96875	0.8
198.96786	26.8
203.10658	0.5
206.04335	0.6
210.96771	2.2
216.97841	15.1
219.17393	0.6
221.98369	1.5
228.97919	3.1
231.70480	0.6
239.99493	0.7
242.24959	0.9
248.00999	0.5
254.99438	1.0
256.26340	4.8
259.16956	2.2
282.04251	0.7
313.20465	2.0
326.13889	0.8
331.21753	0.8
343.61880	0.7
419.18701	1.2
431.18884	0.6
437.20096	1.1
449.19931	3.3
475.21222	2.7
478.26013	5.3
534.28784	7.0
576.46265	5.3
594.30859	9.6
594.46918	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	594.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61420	0.9
54.18367	0.8
55.05503	2.6
57.03443	1.0
59.04985	2.5
62.51772	0.8
65.03940	2.2
67.05502	18.3
69.03428	3.9
69.07059	2.8
69.27604	5.2
71.04996	6.2
79.05488	4.6
79.92312	0.9
81.07048	15.6
83.04977	3.4
85.06528	1.4
87.04454	2.4
88.07687	1.0
89.06025	3.6
91.05465	10.6
93.07054	8.7
95.04961	10.7
95.08616	7.1
97.02887	12.3
97.06521	3.4
103.05426	1.9
103.07616	0.9
104.10744	2.4
105.07025	22.0
106.07359	1.1
107.08584	6.8
109.06511	4.1
109.10127	2.9
111.04436	6.0
111.08064	2.5
113.05973	4.6
115.05436	1.1
117.07050	5.1
119.04918	1.1
119.08575	53.8
121.06491	3.8
121.10136	3.3
122.17759	0.9
123.04468	1.7
123.08077	1.5
128.06190	1.9
129.07004	3.2
130.07808	2.1
131.08578	9.5
133.08554	1.0
133.10135	9.2
135.08029	2.8
137.05951	2.5
137.09586	1.8
139.07539	1.6
141.05452	15.8
141.07071	2.9
142.07768	6.1
143.08554	8.0
144.09277	2.1
145.10118	13.7
147.08034	3.2
147.11687	2.6
149.09604	3.0
154.07747	1.6
155.05836	1.6
155.07022	23.3
155.08511	5.7
156.09285	4.9
157.10118	16.3
158.10883	1.6
159.08020	2.4
159.11678	16.5
161.09572	3.6
161.13300	2.0
161.61754	1.0
163.11198	2.7
165.09215	1.2
166.07713	1.4
167.08530	3.5
168.09326	1.3
169.10132	12.7
170.10866	6.7
171.11682	17.0
172.12146	1.2
173.09627	3.9
173.13237	15.3
175.11169	3.6
175.14844	1.0
177.12735	1.1
179.08554	3.1
180.09361	1.4
181.10141	5.1
182.10954	2.8
183.11690	12.1
184.12480	4.6
185.09656	6.0
185.13249	9.2
186.10371	1.8
187.11143	2.7
187.14774	2.4
192.09340	2.5
193.10135	4.2
194.10901	3.0
195.10091	1.4
195.11679	10.4
196.12439	4.0
197.09685	1.7
197.13246	23.5
197.15106	1.2
198.13768	1.0
199.11186	1.1
199.14743	1.8
201.12727	11.7
202.13533	1.8
203.14304	3.3
205.08469	1.7
205.10136	2.6
206.10974	2.7
207.11725	8.1
208.12375	1.6
209.13217	10.0
210.14056	2.3
211.11186	3.1
211.14835	13.2
215.10678	1.6
215.14264	2.2
219.11710	2.0
220.12476	18.6
221.13260	6.9
223.14879	5.4
225.12827	2.2
225.16367	11.9
233.13301	1.4
234.14063	3.8
235.14803	35.6
236.15236	1.5
237.12720	1.9
239.17931	3.5
249.16383	10.3
251.14253	1.9
253.12138	1.2
253.13097	1.2
253.15871	15.8
255.14006	4.3
256.26297	1.6
262.13550	1.9
265.12390	1.2
267.17395	4.8
269.15424	1.2
271.16873	7.5
277.15906	5.5
280.14603	3.0
283.16977	1.0
285.18509	3.3
295.16891	24.3
300.28998	1.5
303.19565	1.6
313.17960	100.0
314.18271	2.8
331.19049	11.1
331.50311	1.1
373.19946	1.9
401.23309	2.0
435.84677	0.9
471.38965	1.1
544.06067	1.0
576.45966	2.2
594.32758	21.8
594.42621	1.3
594.46918	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	594.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.3
59.04982	5.3
60.28365	2.1
65.03932	3.5
67.05499	20.1
69.03435	4.0
71.05003	9.8
71.43311	2.2
76.02287	2.0
76.63573	1.8
79.05498	7.5
81.07040	15.0
83.04964	4.1
87.04451	3.6
88.07608	4.0
89.06020	4.0
91.05470	10.5
93.07048	11.8
94.07434	2.0
95.04948	11.9
95.08621	5.3
97.02883	12.9
97.06528	3.0
103.07590	3.7
105.04506	2.0
105.07017	40.9
106.07370	3.5
107.08596	4.9
109.06515	3.5
109.10169	2.7
111.04431	6.2
117.07043	6.7
119.08575	61.0
121.06517	4.3
121.10145	4.2
129.07036	2.9
131.08536	11.5
133.08592	2.8
133.10123	8.1
135.08093	3.8
137.06007	4.2
139.07530	4.0
141.05457	16.9
142.07797	6.6
143.08531	12.3
145.10129	12.6
147.08038	6.9
147.11691	4.6
149.09593	3.7
155.07034	26.7
155.08525	6.4
156.09360	6.4
157.10141	17.7
158.72862	2.2
159.11716	18.7
161.09636	6.4
165.06949	3.1
167.08615	4.1
169.10071	15.1
170.10941	4.7
171.11668	16.8
173.09659	3.4
173.13243	18.0
175.11171	2.5
179.08556	4.5
181.08684	2.6
181.10098	5.1
182.10904	4.6
183.11635	19.5
184.12512	4.7
185.09686	5.6
185.13242	9.9
187.11197	3.1
193.10147	5.4
194.10869	4.0
195.10165	2.2
195.11656	10.2
196.12378	4.0
197.13235	25.7
199.11125	2.2
201.12711	12.1
205.10194	3.9
206.10800	2.3
207.11693	7.9
208.12469	2.8
209.13231	11.7
211.11247	3.2
211.14787	13.2
215.14284	2.7
219.11856	2.4
220.12393	21.1
221.13345	3.6
223.14915	6.5
225.12788	3.5
225.16412	7.6
234.14043	3.1
235.14799	33.4
239.18028	3.0
249.16357	8.1
251.14362	2.6
253.15887	13.9
255.13808	4.3
267.17325	4.5
271.16827	10.6
277.15884	5.9
285.18417	4.0
295.16833	25.0
313.17950	100.0
314.18393	3.7
331.19058	11.2
576.46161	5.5
587.48444	2.4
594.32367	19.6
594.46991	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	595.1655
Annotation	Pelargonin
Peak:m/z	Relative Intensity
59.43547	0.3
61.02908	0.6
63.92136	0.3
65.03908	0.4
67.01837	0.5
68.99796	0.4
69.03106	0.3
69.03422	1.7
70.06595	0.4
70.93248	0.4
72.08141	0.4
72.57533	0.2
73.31704	0.3
81.03402	0.5
84.08129	0.5
85.02404	0.4
85.02901	5.4
87.04474	1.7
91.05498	0.7
93.57218	0.2
97.02894	1.5
107.04945	0.4
109.02882	0.4
119.04937	2.4
120.08063	0.3
121.02834	0.6
127.03905	1.1
139.01552	0.6
145.02827	0.6
145.04948	0.8
147.04414	0.4
153.01816	5.0
167.06879	0.3
171.02962	0.4
181.04950	0.8
243.06580	0.3
271.05988	100.0
272.06290	2.6
283.05908	0.5
287.05347	0.3
313.06949	0.5
330.53549	0.3
370.49570	0.3
417.49780	0.3
417.74844	0.3
488.67535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01867	0.4
57.03423	0.6
58.52849	0.1
58.65685	0.1
61.02923	0.9
65.03951	0.2
66.17707	0.2
67.01860	0.3
68.99797	0.2
69.03423	2.2
70.06555	0.2
71.04982	0.2
72.08156	0.3
73.02917	0.4
81.03415	0.8
84.04449	0.2
85.02898	9.1
86.09703	0.2
87.04440	0.2
91.03962	0.4
91.05450	0.4
95.04980	0.2
97.02269	0.2
97.02885	2.5
99.04456	0.6
109.02868	0.8
119.04930	1.7
120.08095	0.3
121.02846	1.2
126.89553	0.1
127.03899	1.8
130.84048	0.1
145.02818	0.4
145.03827	0.3
145.04921	2.8
147.04385	0.3
153.01811	3.7
163.03905	0.5
163.05969	0.3
167.07089	0.2
168.43550	0.2
171.02872	0.5
225.05392	0.3
229.04930	0.3
243.06499	0.3
271.05978	100.0
272.06290	2.7
283.05914	0.3
287.05432	0.7
294.04855	0.2
307.05789	0.2
313.06964	0.7
314.39618	0.2
337.06985	0.7
355.08249	0.2
367.08023	0.3
379.07910	0.3
415.10226	0.2
433.11438	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	595.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.0
58.79054	2.1
61.02924	2.0
65.03947	2.2
69.03423	2.5
70.85163	3.9
73.02903	2.1
81.03452	3.9
85.02909	6.8
87.79592	1.5
93.03436	2.4
97.02880	3.3
103.03974	2.6
105.03387	5.0
107.04958	3.5
109.02883	5.0
111.04456	2.6
119.04964	11.2
121.02867	60.0
121.03752	3.0
122.83344	1.7
133.06516	1.9
140.51833	2.2
145.02876	5.1
146.06033	1.8
147.04376	4.0
151.03922	3.6
161.02312	2.6
163.03911	8.7
176.00935	1.8
177.01926	2.6
177.05611	2.2
179.03352	5.4
181.04962	2.6
187.03896	2.8
188.59895	1.9
189.01817	9.8
191.03436	8.4
195.02924	8.1
201.01837	2.4
201.05440	3.0
203.03426	13.8
205.04800	4.2
207.02879	9.4
215.03406	3.0
217.04988	8.2
219.02907	8.2
221.04500	4.3
225.03870	2.9
225.21968	1.8
227.03372	3.3
229.05023	7.8
231.02863	5.6
233.04495	3.7
243.02959	5.1
247.05963	2.2
251.06906	2.7
255.02988	3.7
255.06657	2.9
257.04330	2.4
259.05997	3.5
261.04044	3.3
263.07037	1.8
267.06537	4.0
268.07269	4.3
270.05219	4.5
271.06213	3.5
273.03949	2.7
279.06619	5.3
281.08182	6.4
283.05960	18.9
284.06567	3.8
285.03967	5.6
293.08176	5.8
294.05231	22.3
295.06015	87.5
296.06534	11.8
297.07501	10.5
307.05991	53.6
308.06747	20.9
309.07541	17.0
313.06979	26.9
319.06009	8.1
320.06830	3.4
321.07562	30.5
322.08398	10.5
323.05743	3.0
323.09265	5.8
325.07053	100.0
333.07635	9.5
335.09134	16.8
336.06100	3.4
337.07062	64.4
337.10373	2.3
347.09045	14.2
349.07040	30.7
350.07657	3.7
351.08633	25.1
355.08197	18.5
357.07712	2.8
361.07022	15.9
363.08408	8.2
365.10220	12.1
367.08099	9.5
373.07059	7.5
374.07834	2.6
375.08829	10.0
379.08115	59.6
385.06665	4.6
387.08673	2.9
391.08151	32.9
393.09613	2.8
397.09323	2.5
401.10223	3.2
403.08014	23.2
409.09161	45.4
415.09882	8.5
417.09967	4.2
421.09201	32.1
427.10294	39.1
433.10583	6.4
439.10318	29.3
441.10010	3.3
445.09985	8.1
457.11331	88.3
458.11829	2.7
463.10236	4.8
469.08179	2.4
475.12253	18.5
481.11322	31.8
487.10233	2.4
493.10873	4.2
499.12234	18.0
505.11145	6.6
511.12396	21.1
523.12482	23.6
529.13220	5.6
541.13330	28.0
559.14636	22.8
577.15057	9.3
595.16388	2.8
605.69952	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	595.1655
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
51.17372	1.6
53.27211	1.5
57.03428	3.9
61.02923	2.7
65.03924	1.6
70.38491	3.1
78.48685	1.6
81.46623	1.5
85.02890	5.1
85.58062	1.5
89.96801	1.5
103.03945	2.2
107.04893	2.7
109.02891	1.9
116.73223	1.7
119.04913	9.0
121.02851	34.4
131.04955	2.0
145.02864	4.3
147.04370	2.2
161.02319	2.1
163.03848	3.1
176.00929	1.9
177.01772	3.9
177.05423	2.0
179.03421	3.7
187.03728	2.2
189.01817	10.7
190.02638	1.9
191.03419	4.7
195.02914	6.3
201.05444	3.4
203.03383	13.7
207.02901	5.7
217.04918	5.8
219.02849	6.9
221.04387	3.6
227.03508	2.1
229.04903	4.1
233.04494	3.2
239.03416	2.3
243.67488	1.6
255.02834	4.5
267.06424	2.0
268.07108	3.1
279.06409	5.9
280.07245	3.0
281.04861	1.6
281.07977	7.6
283.06024	7.4
284.06793	2.8
285.03897	3.1
291.06631	2.3
293.08044	4.3
294.05249	23.3
294.08450	3.1
295.02631	4.3
295.05972	85.0
296.06616	9.8
297.07578	8.3
298.08322	2.4
307.05963	54.4
308.06711	20.7
309.04340	2.0
309.07556	11.7
313.07086	5.3
318.08844	2.7
319.05911	6.6
319.09500	2.1
320.06726	4.4
321.07547	30.4
322.08319	14.4
323.05576	1.9
323.09100	4.1
325.07034	100.0
326.07190	2.2
329.07822	2.1
333.07501	9.0
335.09052	17.3
336.06012	3.6
337.07028	62.8
338.07401	2.1
339.08679	2.5
345.07532	4.0
347.09067	11.6
349.02835	2.0
349.07031	32.5
351.08649	22.2
355.08105	16.7
357.07452	2.5
361.06955	18.6
361.10892	2.5
363.08597	7.0
365.06259	2.1
365.10229	14.5
367.07959	4.7
373.07022	6.7
375.08597	12.8
375.34424	1.7
379.08084	53.5
380.08429	2.2
385.07092	4.8
387.08609	3.7
389.10217	3.7
391.03278	2.7
391.08112	31.1
393.09845	2.4
397.69916	1.8
401.10092	3.3
403.08029	22.8
409.09167	39.4
415.07858	3.2
417.09546	2.0
421.09164	25.5
427.10208	42.8
433.08994	2.6
439.10245	28.7
445.10486	4.1
457.11310	84.6
458.11453	4.1
463.10141	6.0
475.12378	17.1
481.11194	27.0
487.09927	2.9
493.11160	4.8
499.12228	17.0
505.11227	7.1
511.12411	20.6
523.12152	21.0
529.13446	8.4
541.13379	25.0
559.14398	19.9
577.15308	10.0
595.16461	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	595.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.9
58.81654	1.9
61.02936	2.3
65.03933	2.7
67.05505	4.0
69.03432	3.7
71.05000	2.9
71.43503	2.1
71.53265	1.9
80.44282	1.7
81.03414	4.1
85.02896	9.3
91.10136	2.0
93.03365	1.7
96.17226	1.9
98.09682	6.9
100.07610	3.4
100.11251	2.9
103.03945	3.2
109.02876	4.1
111.04420	3.5
112.62191	1.9
119.04933	9.7
121.02055	3.5
121.02857	37.3
127.03919	2.8
128.07111	3.6
143.04829	2.2
145.02843	6.6
147.04497	3.7
151.03912	14.5
163.03885	3.7
169.04915	2.5
175.03886	4.9
177.01888	2.9
177.05441	3.5
177.49532	1.7
179.03381	3.4
182.15355	6.0
188.04280	2.0
189.01836	7.2
191.03352	4.3
195.02931	6.2
203.03360	10.9
207.02890	7.8
207.06573	2.7
210.14908	7.6
217.04922	4.1
219.02899	7.9
221.04482	2.2
229.04897	5.4
241.04883	1.9
251.07025	3.2
255.02750	2.8
265.11038	2.8
267.06528	4.0
268.07214	5.9
271.05768	2.7
279.06473	7.3
281.08005	4.2
283.06012	8.5
283.12198	4.1
285.04019	3.7
290.05295	2.1
293.08084	3.5
294.05246	20.8
295.02615	4.4
295.05984	91.0
296.06708	9.7
297.07544	9.0
305.08075	3.3
307.05997	51.6
308.06699	18.6
309.04138	3.0
309.07520	16.8
313.06827	4.9
319.05869	5.3
320.06656	4.9
321.07581	28.9
322.08255	12.4
323.05566	3.0
323.09079	5.5
325.07050	100.0
333.07562	10.6
335.05624	3.5
335.09103	18.9
337.07019	63.3
339.04935	2.5
339.08768	3.3
345.07532	5.2
347.09058	11.4
349.07010	38.3
350.07950	3.1
351.04608	2.4
351.08618	32.4
354.23792	6.9
355.08078	24.0
357.07474	3.8
361.06973	17.6
361.10745	3.5
363.08630	10.8
365.10229	13.7
367.08118	7.0
373.07031	6.3
374.07968	3.4
375.08572	14.4
379.08069	59.1
385.06979	5.3
387.08649	3.5
389.10315	5.6
391.08075	35.0
401.10266	3.3
403.08188	27.3
409.09161	48.8
415.08200	2.7
417.09528	4.0
421.09283	25.3
427.10327	39.5
431.11322	3.3
433.09320	5.5
439.10181	31.2
445.10083	6.5
457.11313	86.3
463.09888	6.1
475.12329	17.8
481.11349	31.0
487.10275	4.5
493.11185	4.5
499.12579	14.8
505.11139	9.8
511.12378	23.6
523.12256	24.0
524.12726	2.6
529.13300	8.1
541.13434	33.2
559.14362	21.7
577.15094	6.9
580.85956	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	595.166
Annotation	Rhamnocitrin 3-lathyroside
Peak:m/z	Relative Intensity
53.03929	0.2
55.01849	0.1
57.03398	0.3
61.02892	0.2
62.48736	0.1
65.03900	0.1
67.00444	0.1
67.05471	0.2
68.99772	0.3
69.03424	1.8
71.47714	0.1
73.02884	0.3
76.96842	0.1
81.03384	0.3
85.02904	1.5
86.17973	0.1
87.04442	0.2
87.99612	0.1
91.05479	2.6
97.02903	0.8
99.04419	0.2
103.05435	0.2
106.04166	0.2
107.04925	0.3
109.02831	0.2
112.01555	0.3
119.04935	3.6
121.02830	0.5
121.06477	0.2
127.00297	0.1
127.03908	0.7
131.04950	0.2
134.03630	0.2
135.04378	0.2
140.01027	0.5
145.04872	0.4
147.04398	2.9
149.05934	0.3
151.03842	0.2
153.01772	0.1
157.03966	0.5
163.03876	0.3
167.07030	0.2
168.00534	4.7
169.01245	0.1
175.03882	5.0
177.05440	0.3
179.07018	0.5
181.08551	0.4
183.02878	6.5
186.01591	2.8
191.03310	0.5
191.07010	0.4
205.04936	0.5
207.06506	9.6
209.08099	0.9
223.05983	1.7
225.07574	0.1
258.05267	1.2
268.03604	0.7
269.04352	0.3
283.05911	0.3
285.03897	0.8
286.04691	21.5
287.05084	0.8
296.02866	0.2
299.05524	0.2
301.07040	100.0
302.07367	3.2
311.05594	0.4
313.07074	0.2
325.07037	0.3
337.07086	0.2
351.10571	0.2
361.31012	0.1
367.10233	0.4
369.11801	1.3
379.08154	0.2
433.11264	6.7
434.11368	0.2
463.12335	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	595.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54636	0.6
55.01854	1.0
55.13076	0.5
56.79970	0.5
68.99780	5.4
69.15149	3.4
79.05478	1.2
81.07020	0.5
91.05473	2.1
92.99809	0.6
94.02935	1.3
95.01324	0.6
103.05464	18.6
105.03393	0.9
117.07043	0.9
122.02368	2.3
131.04921	81.6
132.05275	1.4
138.01849	2.4
140.03433	1.7
141.06979	0.8
143.04964	0.6
150.01880	1.6
153.01831	1.4
155.04909	0.7
155.23979	0.5
162.01859	1.2
164.03445	1.2
165.01944	0.8
166.01314	3.3
169.01323	3.0
177.01810	1.7
178.01363	10.4
178.99750	6.5
179.03325	1.2
180.02936	1.2
188.03374	1.2
190.01343	6.5
192.02861	3.9
193.01320	10.7
196.02411	2.3
197.00836	9.5
199.03842	5.4
202.99582	0.8
204.02951	2.3
205.01326	11.5
205.04961	1.1
206.04515	1.4
208.02400	5.0
211.02214	0.7
213.05472	2.8
216.02908	1.1
218.00830	26.1
219.01166	0.7
223.02383	0.5
225.05470	1.4
229.56261	0.6
230.00827	2.5
231.06490	1.2
232.02374	2.0
234.03981	2.5
235.03442	0.9
236.01924	2.4
237.05341	0.6
241.04956	5.1
244.02435	2.2
256.02408	2.4
258.00363	2.3
258.03897	1.5
260.01898	11.4
270.07645	2.2
272.01898	7.3
274.03616	1.2
276.01401	2.5
278.02942	1.1
280.06009	0.8
282.07578	8.2
283.05908	3.1
284.01978	2.1
285.99704	3.9
294.07703	1.0
296.09158	1.7
297.07544	27.4
300.01373	9.7
302.03030	0.8
304.00891	3.2
309.07428	3.9
322.07104	11.1
322.10812	0.7
326.13873	2.2
328.00858	61.3
329.01218	2.0
335.25833	1.8
338.10147	4.4
339.09702	7.3
339.13254	0.6
346.01935	10.7
360.08725	2.2
362.10303	1.4
364.07837	2.8
382.09146	1.8
388.03436	1.0
388.08136	8.0
390.06161	4.2
390.88657	0.6
404.07651	2.6
408.07224	0.7
414.06088	1.1
430.09201	1.4
432.07117	54.9
433.07483	2.5
450.08344	2.1
474.08231	5.7
492.09216	0.6
494.12399	1.3
536.13373	100.0
537.13733	6.0
560.13452	5.6
578.14417	48.9
579.14740	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	595.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65333	0.4
54.03468	1.3
56.05018	1.4
58.07559	0.4
67.01860	0.8
67.05499	1.4
68.01391	0.4
68.99780	3.9
69.55080	1.8
70.02932	0.7
70.06587	4.0
72.48176	0.4
75.64714	0.4
79.05483	0.5
91.05468	1.3
93.03392	1.2
93.07063	0.6
94.06574	1.6
95.04994	2.0
96.04527	0.7
98.02405	0.5
98.23479	0.6
103.05449	3.8
105.03381	1.8
107.04910	0.6
108.04471	1.2
109.06510	0.5
110.02393	3.3
110.06025	1.9
119.04990	0.6
119.33905	0.4
121.02990	0.5
122.06023	3.1
124.00272	0.6
124.03945	0.9
131.04924	11.7
132.04425	0.6
133.02718	0.4
134.06007	0.7
135.04395	0.6
135.09149	1.2
136.03925	0.6
137.05957	1.0
138.01852	31.4
140.03380	0.6
141.06894	0.6
145.02878	1.1
147.04414	0.9
149.02271	0.7
149.05986	1.0
150.05493	3.3
151.08688	0.7
152.03456	0.9
153.01799	0.5
156.02888	2.0
162.05505	1.8
163.03864	1.6
164.03450	3.5
165.01833	1.9
166.01353	41.6
167.02118	2.4
168.02942	2.0
172.03963	0.6
177.05449	3.5
178.04973	4.3
179.03380	2.4
179.08203	3.7
180.02892	4.2
181.04962	0.7
183.02977	0.6
184.02380	8.0
185.03181	1.0
187.03914	1.4
188.03471	0.7
190.04958	4.0
191.03191	0.4
192.02910	0.9
193.04980	1.5
197.05927	1.1
198.03981	1.2
200.03429	1.2
200.07175	0.5
204.02943	0.5
204.06525	3.7
205.04945	53.2
206.04454	25.2
207.05104	1.6
207.07571	2.0
208.05998	1.2
214.08588	0.9
217.06123	0.8
218.04457	9.5
219.04980	0.5
222.07622	6.4
223.05942	4.0
224.05534	1.4
225.05432	17.4
225.08739	0.9
226.05823	0.5
235.07118	21.4
236.05515	3.8
236.07527	0.6
242.08105	7.9
253.04781	0.6
267.10065	1.5
268.09830	0.8
270.07593	30.1
271.08136	1.5
277.08481	0.5
283.09677	0.7
284.09140	1.6
293.12796	1.4
297.11221	1.3
308.12729	1.1
309.11145	12.4
310.10706	8.4
311.11356	1.9
322.10648	6.4
323.11340	0.8
326.13837	100.0
327.04779	0.6
327.14230	3.2
339.13391	36.1
340.14114	4.0
352.04395	0.9
358.84790	0.4
455.09393	0.5
456.10153	0.7
463.26959	0.4
477.37207	0.4
491.14090	0.5
577.19434	2.2
578.18292	0.6
595.11517	0.6
595.20679	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	595.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	1.2
56.05026	2.0
67.01836	0.9
67.05500	0.8
68.99780	4.9
69.47518	3.8
70.06587	3.7
91.05486	1.3
94.06560	1.4
95.04958	1.7
103.05460	2.2
105.03400	1.6
108.04444	1.4
109.50663	0.8
110.02380	3.8
110.06036	2.2
114.05475	0.7
116.24434	0.8
121.02933	0.9
122.05990	2.0
131.04926	9.3
134.05988	1.5
135.09177	1.4
137.06007	1.4
138.01854	32.5
141.06929	0.9
149.02321	3.0
149.06007	1.5
150.05492	3.4
152.03387	1.0
156.02905	2.2
162.05476	1.7
163.03870	2.3
164.03394	2.6
165.01802	1.9
166.01346	39.3
167.02063	2.7
168.02861	1.8
177.05426	4.2
178.05022	3.3
179.03391	1.4
179.08160	3.6
180.02925	4.6
184.02422	8.3
185.03217	1.3
187.03934	0.9
190.04944	3.9
192.02826	1.0
193.04965	3.8
198.04063	1.2
200.03339	2.0
204.06525	2.2
205.04947	55.1
206.04453	26.3
207.05298	1.9
207.07617	2.2
208.05800	0.8
214.08469	1.0
218.04475	9.7
219.05214	1.1
220.05934	1.3
222.07620	6.7
223.06064	2.4
224.05499	1.2
225.05441	17.7
225.08746	0.8
235.07117	21.4
236.05524	2.7
242.08109	9.5
267.10059	2.1
270.07587	30.4
271.08267	1.9
284.08978	1.2
293.12717	1.1
297.10956	1.1
307.84601	0.8
308.13098	1.0
309.11154	11.4
310.07153	1.1
310.10684	11.4
311.11340	1.7
322.10718	5.4
326.13831	100.0
327.14255	4.6
339.13361	38.6
340.13983	5.3
577.18793	2.8
595.20966	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	595.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
57.03413	1.6
60.46076	1.6
67.05482	2.2
67.07749	1.4
69.03419	7.0
69.75175	3.3
69.75538	3.0
73.02918	3.1
79.05497	1.9
81.03404	4.3
81.07043	2.8
85.02903	6.6
87.00826	2.9
87.04482	1.6
87.05650	1.7
89.06031	3.2
91.05484	4.2
93.07043	4.3
95.05002	1.6
95.08614	10.7
97.02864	2.9
98.23402	2.5
99.04414	1.4
103.80851	1.4
105.01836	1.6
105.07023	2.6
109.02910	1.7
120.30785	1.5
121.10179	1.8
124.03943	5.6
124.58894	1.8
125.04224	2.2
127.03899	4.4
130.66211	1.3
131.04933	1.7
131.08557	2.0
133.08661	2.0
133.10112	2.8
145.19846	1.7
149.05974	2.3
151.03926	1.8
155.08609	2.5
159.08023	1.7
161.05991	1.9
161.09612	5.6
163.07518	5.8
165.05505	2.1
173.05998	3.0
175.07599	1.5
177.05455	2.2
177.09027	1.9
177.11246	2.6
187.07545	3.0
189.05429	2.4
189.09102	2.3
191.06990	2.8
201.05438	5.9
201.09120	6.0
203.07033	6.3
205.08589	25.3
209.09752	1.9
209.13249	1.7
213.09041	1.8
217.08546	9.8
223.09650	5.1
227.10657	7.0
228.11473	1.7
229.08582	33.0
235.09511	2.7
237.12773	1.9
240.11508	1.5
241.12233	2.2
247.09608	13.1
255.10143	2.6
260.11798	1.6
265.12326	2.1
265.15860	2.6
269.11737	3.9
269.15289	4.1
275.14178	2.8
278.12979	3.2
281.11691	1.7
283.13223	4.4
283.16928	16.0
293.15396	6.0
296.13968	3.5
299.83096	1.6
301.14304	6.9
301.17963	23.1
302.18277	1.7
311.16324	19.4
329.17450	25.2
347.18527	100.0
348.19135	1.6
454.49008	1.4
461.86569	1.5
471.62622	1.5
556.98944	1.9
563.03052	1.6
595.21368	3.6
595.30762	2.3
596.23773	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	595.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.05503	4.3
58.06594	1.6
58.43928	0.9
61.02899	1.1
61.75345	1.0
67.05504	11.2
69.03430	3.2
69.07094	1.3
71.08621	1.4
71.43062	1.0
73.02944	1.5
79.05499	2.5
81.03419	3.1
81.07045	3.9
83.08603	1.6
85.02898	5.7
85.06538	1.9
87.00802	1.7
87.04446	1.1
89.06033	1.7
91.05470	2.7
93.07039	3.5
95.08600	74.8
97.02907	2.8
100.11306	1.7
105.01852	2.3
105.07023	2.3
107.04961	1.2
107.08588	3.6
109.02874	3.9
109.06512	1.3
109.10135	1.8
111.08089	1.4
115.05428	1.2
117.07048	1.2
119.08592	4.6
121.02885	2.0
124.03919	2.6
127.03928	2.9
131.08597	1.5
133.06454	1.2
133.10103	2.1
135.04439	1.1
135.08064	1.3
137.05948	1.0
141.06984	1.0
143.08641	1.2
145.05052	1.0
145.06467	1.9
147.04395	2.1
149.05951	1.6
153.02989	1.4
153.07028	1.0
155.08539	1.6
157.10115	1.1
161.05922	1.5
163.03960	1.1
163.07536	29.9
165.07127	1.3
167.08571	1.8
170.15369	1.4
171.07999	1.5
173.05911	1.6
175.07579	3.8
176.04753	1.1
177.05467	3.3
177.09097	2.5
178.05437	1.0
181.06425	1.1
181.08646	2.3
182.15474	1.2
183.08069	1.8
185.09491	1.2
187.07549	2.2
189.05452	4.2
189.09122	3.6
191.07019	5.2
193.10155	1.1
195.08072	2.5
197.09578	1.1
199.07501	3.0
201.09096	5.1
203.07039	13.5
203.10704	1.1
205.08565	16.7
209.09680	2.4
211.07562	4.1
211.10974	1.2
213.09111	15.9
215.06961	1.6
215.10677	2.4
217.08592	12.3
221.13263	1.5
223.09631	3.5
225.09044	2.2
225.12572	1.1
226.09927	1.3
227.10631	5.4
228.11424	1.9
229.08592	27.0
229.12041	1.3
229.84023	0.9
231.10147	3.6
233.07846	1.1
235.09460	5.7
237.09070	1.4
238.09845	1.2
239.10667	2.8
240.11540	1.4
241.12173	2.2
242.09248	1.1
243.10204	2.1
247.09503	2.1
251.10619	2.1
251.14372	1.2
252.11440	2.3
253.12213	3.5
254.13011	1.7
255.10185	4.6
255.13815	10.8
260.11813	1.4
263.14664	1.2
265.12256	1.4
265.15878	1.3
267.13782	4.2
269.11798	2.6
269.15326	20.8
271.13348	7.1
271.16348	1.4
281.15396	7.0
283.13516	2.4
283.16898	8.7
287.16409	12.1
293.15268	5.6
299.16422	36.3
301.18030	3.5
311.16373	27.9
317.17474	8.8
329.17450	48.2
330.17667	2.1
347.18512	100.0
348.18936	2.2
373.32108	1.1
594.45398	1.5
595.20752	1.7
595.28827	1.7
595.46216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.5
52.35605	0.4
52.83919	0.5
53.76873	0.4
54.22408	0.4
55.01848	0.9
57.03396	1.6
63.17724	0.4
67.05476	1.0
68.99756	1.6
75.72595	0.4
79.05464	1.7
81.07018	0.5
82.06537	0.7
83.01327	0.5
91.05466	3.6
92.99720	0.5
95.01288	0.5
95.04962	2.4
97.06489	1.4
103.04981	0.4
103.05466	4.4
105.03362	1.1
106.02888	1.4
107.04938	3.3
109.06475	1.1
119.04929	4.3
121.02862	0.7
123.04391	1.8
125.05965	1.6
129.06979	0.6
131.04919	9.9
135.04364	1.1
137.05975	3.6
138.01845	1.4
140.03415	0.6
147.04395	4.3
151.00273	0.5
152.03380	0.6
165.01802	1.0
165.05426	1.1
166.01321	1.4
168.02913	2.5
169.01299	5.3
169.04919	0.6
175.03899	6.8
175.35768	0.4
178.01349	1.2
178.02650	0.6
179.03391	1.6
180.02921	2.2
181.01314	1.2
183.02878	1.2
184.02505	0.5
190.01343	1.2
193.01308	0.5
193.04939	9.6
195.02859	2.3
199.02338	1.5
202.01324	1.0
203.03423	3.5
205.04915	1.1
211.02357	0.8
211.05936	0.5
213.05434	0.7
220.02357	1.3
220.06075	3.9
221.04437	100.0
222.04773	2.4
230.00816	3.1
239.05411	4.3
243.08246	0.5
270.07538	1.0
272.09097	1.4
273.99658	0.6
283.09534	3.8
284.09073	1.1
289.08542	0.9
299.05447	1.2
307.46564	0.5
312.46747	0.5
324.12262	4.6
325.10635	20.0
326.14047	0.7
327.14163	1.0
340.00864	4.7
340.13544	0.5
358.02051	0.6
421.05493	0.5
444.07129	6.8
462.08365	1.0
466.15030	0.9
564.12787	4.9
579.25208	0.6
582.13995	1.5
596.19135	43.0
597.19324	3.0
597.26788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27646	0.5
52.44321	0.5
57.03405	1.6
67.05473	1.3
68.99753	2.0
71.43889	0.5
75.60292	0.5
78.97667	0.6
79.05494	2.5
81.03371	0.6
81.07030	0.9
82.06557	0.8
83.01335	0.7
88.27299	0.5
91.05476	4.4
95.04911	1.8
97.06473	1.0
102.33481	0.5
103.05466	3.5
105.03339	1.6
105.04515	0.7
105.49348	0.5
107.04981	2.7
109.06500	0.6
118.58948	0.5
119.04919	4.6
122.48423	0.6
123.04392	1.7
125.05948	1.1
131.04901	5.8
135.04375	1.1
137.06000	3.5
138.01833	1.0
140.03474	0.7
147.04393	4.6
149.56549	0.6
152.03365	0.6
153.05408	0.6
159.04256	0.5
165.01828	1.2
165.05495	0.9
166.01294	0.8
167.01996	0.7
168.02925	2.7
169.01277	1.5
175.03893	7.6
178.01334	1.1
179.03354	1.8
180.02913	2.8
180.80898	0.5
181.01286	1.1
183.02919	1.7
184.02344	1.0
190.05257	0.6
193.01236	0.7
193.04955	9.5
195.02846	2.9
197.04671	0.5
199.02330	1.2
203.03409	3.5
203.75523	0.6
205.04863	0.8
211.02364	0.9
218.04556	0.6
220.06024	3.6
221.04427	100.0
222.04839	3.2
239.05481	4.3
243.08208	0.7
270.07373	0.6
271.07745	0.6
272.09180	1.8
282.22150	0.6
283.09579	2.8
284.09216	0.9
289.08603	1.2
307.09708	0.9
324.12231	5.3
325.10632	20.2
326.10760	0.9
326.14072	1.1
327.14316	0.9
336.26178	1.5
392.05936	0.6
455.97095	0.6
466.14944	0.9
596.19135	50.3
597.19415	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	596.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04519	0.7
63.03180	0.3
69.03442	0.6
70.06582	0.7
80.22481	0.3
81.07056	0.3
85.02916	0.4
86.09721	0.5
91.05482	0.3
97.02887	100.0
97.84657	0.3
98.03224	1.1
99.04477	0.3
111.04536	0.3
121.02859	11.3
130.63385	0.3
133.02792	0.4
138.05399	0.3
147.04398	1.4
151.03915	1.9
184.60008	0.3
217.04950	8.9
235.06046	4.0
253.07066	3.3
271.18845	0.3
330.12161	0.3
344.14005	0.4
372.13138	0.4
414.14218	0.3
432.15555	0.5
467.23935	0.4
492.17862	0.4
502.15698	0.4
520.16913	0.6
536.16431	0.4
564.15985	0.8
578.31213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.05507	14.5
56.96561	47.8
57.07063	2.1
57.64611	1.8
65.03955	2.9
67.05502	13.9
69.03423	50.7
69.07056	3.6
78.03455	8.0
79.05492	8.3
80.04995	4.9
81.03416	16.7
81.07049	14.4
83.04978	41.0
84.96043	7.6
91.05473	15.0
93.07050	12.4
95.04991	5.4
95.08599	13.5
96.04454	4.1
98.97578	38.9
103.05459	2.0
105.07014	23.7
106.02312	2.5
106.02900	14.1
107.08604	9.3
109.10109	3.9
110.97581	2.5
111.04441	49.3
111.05174	3.5
115.05413	2.8
116.98622	24.6
117.07014	5.7
119.08568	25.8
121.06471	3.4
121.10151	6.9
122.04306	1.9
124.03943	100.0
127.00708	3.0
128.06216	4.9
128.98558	2.3
129.07008	6.1
131.08559	18.2
133.10123	15.8
134.99680	8.1
135.11728	2.3
137.25182	1.8
139.00705	2.5
141.06992	2.7
142.07756	3.7
143.00232	2.4
143.08591	9.5
144.09303	2.2
145.10107	28.5
147.07993	3.6
147.11684	7.8
149.09550	2.0
149.13257	2.8
152.91766	1.8
155.00096	2.3
155.05872	1.9
155.08524	5.3
156.09352	5.4
157.01761	6.8
157.10139	12.3
159.08092	2.6
159.11676	15.6
161.01352	2.1
161.09676	2.8
161.13249	5.4
161.98613	2.0
163.11121	2.1
165.06956	2.1
167.08609	3.0
169.01744	5.8
169.10138	9.4
170.10858	2.6
171.11720	6.6
173.01241	3.0
173.13292	3.5
175.02863	2.6
175.14807	3.6
177.16440	2.6
179.08594	2.6
179.99715	6.9
181.10147	4.0
182.10869	2.4
183.11774	5.4
185.13304	5.9
187.02829	4.5
187.11223	3.2
187.14815	24.6
193.10069	2.6
195.11707	4.2
196.02776	4.2
196.12343	2.2
197.13264	3.0
198.00713	32.4
199.14799	3.5
201.12802	2.8
205.15889	7.8
207.11646	3.5
211.14815	4.7
215.14351	3.9
215.79140	2.1
216.01825	17.3
219.11880	2.2
222.00726	20.9
240.01874	3.2
241.85608	2.0
247.10020	3.7
259.10135	4.6
271.10010	2.3
273.11652	2.6
277.11081	3.9
279.12827	2.7
287.13107	4.2
291.12585	2.4
297.18503	4.0
309.11591	3.0
314.83142	2.1
328.19034	5.6
341.14130	4.0
353.14108	9.5
359.15283	4.3
371.15259	21.7
389.16333	5.0
394.17264	2.2
413.16534	21.9
431.17432	12.9
438.22659	3.2
448.17841	4.3
464.17099	2.6
473.18668	3.8
476.17368	25.5
494.18613	15.7
517.20209	3.2
536.19684	24.2
554.20496	37.2
570.25848	2.4
596.21747	87.8
597.22003	4.7
614.22955	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	596.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.9
55.05495	4.3
57.03433	15.7
58.85070	1.8
61.02920	8.2
69.03429	20.3
69.09839	1.7
70.68974	4.0
71.01353	3.2
71.04986	42.8
73.02915	46.4
75.04479	8.3
81.03413	3.6
83.04981	22.0
85.02898	100.0
87.04453	7.0
95.04988	2.6
97.02883	27.3
99.04444	2.5
101.05989	1.9
103.03934	4.7
109.02853	3.1
111.04449	20.3
113.02366	2.1
115.03913	31.3
121.02851	8.0
121.06509	9.7
127.03896	8.1
129.05475	43.8
133.04959	11.3
139.03880	6.4
145.02875	2.7
145.04929	5.8
145.06520	3.4
147.06511	34.7
151.03889	4.0
152.05663	23.9
153.04033	2.2
157.04976	2.1
163.07483	3.7
169.05009	3.0
171.06639	1.9
175.07544	2.0
183.06389	1.8
187.03970	1.6
187.07574	6.1
193.72488	1.9
195.06601	2.1
205.08549	6.1
217.08672	1.8
225.07555	12.4
235.09576	2.8
237.07559	2.4
243.08647	15.2
261.09607	5.6
267.12308	2.3
279.10721	14.1
281.07996	2.3
294.05484	2.1
295.05887	11.7
296.06241	14.7
307.06070	4.6
308.06393	11.9
309.07343	2.2
309.11743	5.5
310.07874	2.1
314.07544	2.5
321.07669	1.9
322.07925	4.9
323.08844	2.1
325.06958	7.4
326.07376	17.2
335.48419	1.8
336.09579	2.4
337.07053	6.1
338.07355	13.1
348.09607	3.2
349.07266	3.4
350.07263	5.8
351.08350	2.7
352.08994	4.2
356.08273	4.0
362.07315	4.2
364.08841	1.9
376.08997	2.5
379.08035	3.9
380.08392	11.5
386.07227	1.8
392.08450	6.2
404.08350	6.1
409.09232	3.0
410.09378	7.1
422.09540	5.3
427.10205	3.2
428.10733	9.2
440.10464	7.4
457.11151	2.9
458.11789	17.8
476.12424	5.0
482.11447	5.8
500.12573	5.9
506.11322	2.1
512.12671	4.5
524.12543	7.2
542.13544	7.3
560.14966	4.1
578.16150	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	596.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01870	2.0
55.05518	1.0
59.99093	1.2
68.73923	1.0
68.99799	1.6
69.03413	3.1
69.77605	3.4
70.06586	1.8
71.04980	1.2
72.08125	1.0
81.03411	4.7
81.07053	1.6
81.16302	1.0
85.02890	8.8
87.00848	2.3
88.02245	1.3
91.05486	1.1
93.07043	1.4
95.08597	3.0
97.02884	4.0
99.04456	2.0
103.05462	8.9
105.01851	2.9
105.07072	1.6
107.08580	6.3
108.81366	1.0
109.02879	4.5
109.06516	1.3
116.05278	2.2
123.04390	1.2
127.03886	5.6
131.04909	21.9
131.08626	0.9
132.05296	3.3
133.10109	4.8
137.05977	1.7
145.04939	3.0
147.87282	1.1
148.02501	1.9
149.05966	8.5
157.06523	1.4
159.02856	1.0
161.05952	1.5
163.07593	5.0
165.09108	72.6
166.09534	1.4
168.02892	1.2
179.10648	3.2
183.07986	1.2
187.07535	2.0
191.10664	14.1
194.04556	1.6
195.02847	1.2
197.09633	1.4
197.13255	1.7
203.10730	1.4
205.12254	11.5
207.02823	2.4
211.11177	2.7
215.10689	1.7
219.07794	1.4
225.12663	5.5
227.10461	1.3
229.12259	3.8
237.05203	4.1
243.13811	8.2
263.06961	1.4
267.17398	8.7
280.05948	1.4
283.05945	2.0
285.18488	46.4
286.18661	1.5
291.02621	5.5
292.02917	1.9
293.04135	2.1
295.16959	1.1
313.17892	10.0
314.99390	1.4
327.04819	17.2
328.04941	2.7
329.06042	1.3
331.19003	100.0
332.19318	4.1
342.99054	2.2
348.17465	2.1
360.99808	1.2
370.05579	2.2
384.12631	1.5
474.11514	1.2
491.97147	2.7
492.13058	1.4
508.15894	1.0
529.18073	1.2
552.28436	2.9
556.54407	1.2
596.03418	3.2
596.19672	2.0
596.27386	6.8
597.18469	3.0
622.54474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
53.03933	0.8
55.05503	2.2
66.36280	0.5
67.05496	2.4
69.07070	1.3
69.57879	2.3
73.06547	2.0
77.35533	0.5
78.03458	9.0
79.05486	3.2
80.04698	0.5
80.05021	5.8
81.07053	3.1
85.06539	0.6
91.05487	7.6
93.07053	5.4
95.04973	3.2
95.08602	3.6
96.04485	5.0
103.05472	1.7
105.04528	0.9
105.07027	9.6
106.02914	25.4
107.04949	1.2
107.08582	5.9
109.06508	2.5
109.10123	0.9
115.05411	1.6
115.07568	27.3
117.07023	3.2
117.96590	0.7
119.04958	1.5
119.06104	0.9
119.08572	14.0
120.34062	0.6
121.06522	0.8
121.10134	2.9
123.08047	1.7
123.23571	0.6
124.03949	100.0
125.04311	0.7
128.06227	2.2
129.07008	2.8
130.07785	0.8
131.04919	2.8
131.08548	4.5
133.06500	0.9
133.10114	6.3
135.08037	1.9
135.11685	0.7
136.69231	0.6
137.02332	1.3
137.05914	1.1
138.01804	0.9
141.06998	2.0
142.07782	2.9
143.07065	4.5
143.08534	6.7
144.09215	0.7
145.06502	0.7
145.10123	6.7
147.08035	2.3
147.11673	15.1
149.09616	1.7
151.07515	1.5
153.07019	0.6
154.07758	1.5
155.08531	3.2
156.09319	2.1
157.10127	9.7
158.10867	3.9
159.08098	0.9
159.11703	3.5
161.09627	7.6
161.13185	3.0
165.01845	0.6
165.06975	1.2
166.01323	0.7
167.08571	2.1
168.09219	0.9
169.10091	5.2
170.10909	1.9
171.11670	5.1
172.12459	4.3
173.09602	0.9
173.13309	1.5
175.07556	1.1
175.11191	1.5
176.11981	4.4
176.15630	2.0
179.08562	2.1
180.09267	1.1
181.10043	3.3
182.10924	2.3
183.07944	0.7
183.11690	4.7
185.13239	2.4
187.07527	1.2
187.11201	2.4
189.09111	1.2
192.09367	1.1
193.08595	0.8
193.10081	2.8
194.10916	1.3
195.11673	3.5
196.12479	1.6
197.09688	1.8
197.13286	2.9
199.11122	0.6
201.09138	1.3
203.14253	4.8
205.04948	1.0
206.10815	1.0
207.11710	3.5
209.09659	0.7
209.13249	4.0
210.10179	0.7
210.13928	0.8
211.11160	1.4
211.14825	2.2
213.09128	1.2
215.10677	1.6
219.11728	0.8
220.12526	0.6
221.04430	5.5
221.13280	3.2
222.14070	0.9
223.11366	0.8
223.14723	1.4
225.16356	3.5
227.10583	1.1
229.12257	1.0
234.13921	1.4
235.14824	2.1
236.15558	1.7
237.12711	0.7
239.10654	1.2
239.14258	1.0
239.17805	0.7
241.12183	1.3
244.13257	1.0
249.16452	2.5
251.17978	1.8
253.12363	1.6
253.15918	2.4
255.13809	1.0
267.14044	0.7
267.17334	3.0
268.13358	2.7
269.15353	1.8
270.07346	0.6
271.16910	8.1
277.15866	0.8
285.18408	1.4
295.16916	18.2
309.83737	0.6
313.17941	14.0
325.10822	0.8
326.13956	1.3
327.13983	1.5
341.17270	0.6
410.36829	0.7
418.19971	1.6
436.21027	7.6
436.25717	0.7
454.22620	1.0
526.10986	0.7
537.13434	0.9
554.27838	1.3
578.27295	7.2
579.14856	0.9
579.27423	1.0
596.19019	2.1
596.28351	15.9
597.28192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.2
51.02369	2.1
53.03936	0.9
55.05504	3.6
57.98324	0.8
61.19288	0.7
65.03928	1.8
67.05502	5.4
69.07062	3.2
69.83543	2.1
71.04974	1.3
78.03445	21.2
79.05484	10.0
80.05017	1.7
81.03431	1.5
81.07056	7.4
83.04974	1.8
83.08592	1.1
91.05467	14.9
93.07035	12.1
95.04958	6.1
95.08596	9.7
96.04502	4.6
96.79597	0.8
103.05470	1.8
105.03391	1.6
105.04469	1.0
105.07025	20.6
106.02909	100.0
107.08593	12.0
109.06527	5.1
109.10145	3.1
111.04424	1.5
115.05453	1.3
115.07562	1.7
117.07007	4.7
119.04958	1.2
119.08571	29.1
121.06503	1.9
121.10140	7.2
123.08054	2.9
123.11665	0.8
124.03942	70.6
125.05992	1.0
128.06203	3.8
129.06992	4.2
130.07802	1.1
131.08569	7.4
133.06467	1.9
133.10115	11.8
135.08032	2.4
135.11653	2.9
137.02290	4.2
137.05963	1.9
137.09587	1.7
141.05849	0.7
141.06973	3.2
142.07777	5.5
143.08569	14.2
144.09360	2.3
145.06490	1.0
145.10129	11.9
147.08035	3.7
147.11676	32.6
148.12271	0.9
149.09618	1.0
149.13217	1.3
151.07524	2.3
153.06987	2.0
154.07727	1.4
155.08557	7.3
156.09334	4.4
157.10117	19.9
158.10889	12.9
159.08052	1.8
159.11690	9.2
161.09618	10.6
161.13235	6.7
162.10318	1.5
163.07498	2.3
163.11177	5.8
165.06984	2.7
167.07188	1.2
167.08499	4.4
168.09335	3.1
169.10124	9.3
169.24132	0.9
170.10840	4.6
171.08081	1.6
171.11667	8.8
172.12448	11.5
173.09637	1.6
173.13261	3.2
175.07497	1.3
175.11140	4.2
175.14790	1.0
175.40372	0.8
176.11963	8.6
176.15581	3.7
177.09032	1.5
178.08636	19.0
179.08521	4.9
180.09344	1.9
181.10092	5.3
182.10904	2.3
183.08035	1.5
183.11699	9.4
184.12444	1.4
185.09605	2.2
185.13235	6.6
187.07532	1.8
187.11166	3.0
187.14796	1.8
189.09041	2.2
192.09325	3.1
193.10118	6.2
194.10912	2.6
195.11647	9.8
196.12488	2.5
197.09654	1.9
197.13155	5.7
198.14001	1.3
199.07446	1.1
199.14752	1.0
201.09050	2.6
201.12698	1.3
203.10652	1.2
203.14278	9.1
205.10368	1.0
205.12225	3.2
206.08112	6.0
206.10922	1.3
207.11659	8.0
208.12436	1.7
209.13232	7.4
210.10300	1.4
210.13980	2.1
211.11177	2.2
211.14832	4.4
213.09172	1.9
215.10704	2.7
215.14304	1.3
219.11739	2.2
220.12390	3.1
221.13205	6.1
222.14095	1.2
223.11139	1.7
223.14769	3.1
224.09158	45.6
225.09396	1.0
225.12790	1.6
225.16403	4.2
227.10651	2.0
229.12292	1.6
234.13980	2.4
235.11023	1.1
235.14706	4.5
236.15582	3.1
237.12791	1.4
237.16299	1.0
239.10583	2.1
241.12202	3.4
249.12521	1.0
249.16344	5.8
251.17928	2.9
253.12178	3.4
253.15883	4.5
255.13873	1.6
261.22141	2.2
267.17340	2.7
269.15338	3.0
270.27826	1.1
271.16898	15.0
277.15854	2.4
285.18277	1.1
295.16910	34.7
295.20200	1.8
296.17160	1.4
313.17950	32.3
314.18307	1.1
536.26355	5.2
578.27563	11.5
596.28741	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	596.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.9
53.34085	2.5
54.44194	2.8
55.01856	3.4
55.05508	18.4
57.03424	5.9
57.07069	4.1
59.48700	2.7
65.03937	4.2
67.05498	81.3
69.07059	12.5
71.04990	4.3
73.02912	3.0
76.92326	2.9
79.05489	51.9
81.07048	98.0
83.04985	3.2
83.08625	6.3
85.02928	4.7
90.94598	3.1
91.05464	28.5
93.07035	59.0
95.04967	6.7
95.08596	71.4
95.09214	3.6
97.06478	3.3
97.10168	4.9
99.04415	3.9
105.07007	25.1
107.08588	38.4
109.02904	6.3
109.06516	3.2
109.10141	33.0
111.08112	3.8
111.75021	2.6
112.22091	2.5
117.07022	9.8
119.08567	19.0
121.10143	37.7
123.11685	17.0
124.03957	12.1
127.03894	4.2
131.08530	18.2
133.10118	14.6
135.11671	35.5
137.13263	9.9
145.10101	19.6
147.11676	12.2
149.02330	7.6
149.13232	20.3
150.02731	3.1
153.12830	2.8
159.11632	16.2
161.13264	9.6
163.14839	23.5
173.13260	17.2
175.14723	4.8
177.16434	7.6
187.14842	11.6
191.00114	4.5
201.16364	4.5
233.22626	5.1
243.21040	35.8
261.22122	100.0
279.23187	3.5
294.71417	2.8
301.20010	4.7
335.25870	26.9
353.26868	33.7
432.32742	3.0
537.30005	5.8
538.30823	8.4
561.27167	9.4
579.13855	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	597.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
72.93781	2.0
77.03949	0.8
84.97343	0.5
89.56333	0.6
90.94815	2.6
91.05464	0.8
95.04947	3.0
103.05466	35.8
104.05816	2.2
105.03365	1.1
105.04521	1.0
105.07050	0.6
107.69338	0.6
109.09944	0.5
121.02884	1.2
126.48369	0.7
130.09807	0.8
131.04926	100.0
132.05231	5.0
132.95834	1.1
140.03398	0.8
147.04385	0.7
150.96860	0.7
151.03917	1.9
160.49738	0.6
167.02121	0.8
168.02898	1.9
168.95825	0.6
182.93790	2.1
184.95352	1.4
188.97931	1.7
194.04500	1.4
194.17493	0.6
194.19339	0.6
195.03000	0.6
200.94751	2.1
202.96359	0.6
212.94833	1.8
218.95924	0.6
219.08035	1.6
219.31891	0.7
222.93282	1.0
223.02452	0.8
224.99873	0.8
228.94357	1.1
230.04626	0.7
230.95920	3.7
231.96571	0.7
237.05217	14.4
240.94281	20.3
242.95897	1.2
249.44818	0.6
257.94458	3.5
258.95340	14.6
260.96719	0.7
263.07089	0.8
265.04706	2.8
271.05972	0.9
283.05777	2.0
285.07629	3.9
291.02631	2.6
293.04156	12.3
296.98285	3.1
297.98941	1.8
298.99670	0.9
307.45215	0.7
309.04059	3.2
311.05280	2.7
314.99408	2.7
315.08633	2.0
315.99997	1.3
326.99808	1.8
327.04752	62.1
327.96671	0.8
328.05112	1.5
333.00330	0.7
342.98865	4.2
343.99509	3.4
344.03140	0.7
345.00381	6.4
355.95917	3.1
356.96414	4.4
358.98264	1.8
359.99380	5.3
360.92664	2.2
360.99643	6.1
362.00208	1.4
363.01578	5.3
371.05521	1.3
378.93564	0.7
388.92258	2.5
389.93069	1.9
406.93433	4.2
431.07407	1.0
464.98761	1.5
465.12473	0.8
467.00223	1.0
475.11365	3.2
491.97705	1.9
492.98212	13.7
493.12448	8.0
493.99081	3.0
510.99542	11.3
511.99496	1.1
528.45319	0.6
569.05072	0.9
580.12286	2.1
596.18390	0.6
597.04333	27.9
597.18036	5.1
598.05530	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	597.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85911	2.2
81.03410	2.9
83.30124	1.2
91.05482	1.7
103.05460	3.5
117.87613	1.2
119.04871	1.3
121.02869	21.8
121.03852	1.9
131.04884	7.4
139.03894	2.7
144.98978	1.5
151.03899	6.2
152.01003	1.5
155.40868	1.2
167.03427	4.3
188.97978	3.5
203.27408	1.4
206.98915	1.4
219.07994	1.6
237.05199	18.5
237.07346	1.6
254.05721	2.9
263.03339	1.7
263.07025	1.2
265.04712	2.7
265.07196	2.0
271.06018	10.3
281.04437	1.8
282.05212	4.4
283.05786	5.6
285.07547	15.9
291.02621	31.5
292.02982	1.7
293.04202	19.4
299.05511	8.8
300.06302	14.3
309.03818	5.4
311.05280	3.8
315.08606	79.8
316.09015	1.4
327.04739	100.0
328.05032	3.6
329.06348	13.0
340.01062	1.7
369.05530	1.4
463.26196	1.4
580.81030	1.3
597.02844	4.1
597.20251	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	597.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70636	0.6
67.05487	0.9
70.06578	1.2
70.53863	1.1
91.05476	0.9
103.05466	9.7
105.04478	0.6
105.07026	0.9
105.16018	0.7
111.05553	1.3
115.05420	0.8
131.04924	27.7
132.05254	1.4
144.98990	1.0
167.03355	0.8
180.17484	0.9
185.00777	0.8
188.97943	2.2
206.98930	0.7
225.00093	0.7
237.05209	18.9
240.94293	3.2
250.60036	0.6
258.95377	1.9
263.03162	0.9
265.04758	3.2
271.05957	1.5
283.05838	3.5
285.07773	0.8
291.02615	16.6
291.05710	1.4
292.02853	1.3
292.52631	0.9
293.04178	15.5
309.03754	3.6
309.07339	0.8
311.05289	2.2
327.04736	100.0
328.05106	3.7
329.06268	8.6
363.01309	0.9
368.07526	1.2
406.93658	1.3
475.07239	0.8
492.98560	1.5
510.99350	1.9
516.93439	0.9
597.04663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.1
52.03165	0.1
53.03943	0.3
55.01865	0.5
55.97440	0.1
57.03426	0.2
61.76942	0.1
65.03936	1.9
67.05502	1.0
68.99809	0.1
69.03427	0.8
73.02886	0.1
77.03931	0.3
79.84997	0.1
81.03412	3.1
85.02895	0.9
91.05431	0.1
93.03394	1.1
95.04959	0.8
97.02885	0.9
99.03851	0.1
99.04412	0.4
103.05471	0.2
105.03422	0.3
105.04517	0.3
108.02094	1.5
108.02779	0.2
109.02877	1.5
110.03655	0.3
111.04437	2.0
121.03973	0.2
123.04413	0.4
125.05978	1.5
127.03877	0.6
131.04922	0.3
136.01552	0.2
137.05952	0.2
141.05466	1.7
144.05728	0.2
145.04922	0.2
151.03900	61.9
151.04984	5.7
152.04231	0.8
155.04848	0.1
163.07539	0.2
164.67102	0.1
165.09013	0.1
166.45062	0.1
168.00533	0.4
168.05710	0.4
169.01341	0.2
169.04948	3.6
171.04417	0.2
173.05914	0.1
179.04890	0.7
183.02843	0.1
185.05927	0.1
186.01564	0.3
197.06081	0.2
199.03955	0.1
218.05678	0.2
224.04720	0.2
241.04903	0.3
242.05800	0.7
252.04202	0.2
269.04309	0.6
270.05203	41.4
271.05524	1.1
283.06006	0.2
284.03278	0.5
284.06000	0.1
285.07541	100.0
286.04810	0.2
286.07901	2.8
295.08102	4.4
296.08524	0.1
303.04953	0.5
303.19434	0.2
313.09253	1.0
331.18863	0.2
398.04163	0.1
436.66876	0.1
611.08752	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	597.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01867	0.2
63.32127	0.2
64.70313	0.2
65.03924	1.3
67.01850	0.3
67.05505	0.7
69.03429	0.5
69.50448	0.2
69.53202	0.6
81.03416	2.1
85.02893	0.5
91.05480	1.9
93.03393	1.1
95.04960	0.4
97.02888	0.7
99.04431	0.2
103.05401	0.2
105.04500	0.2
108.02099	0.8
109.02886	0.8
111.04445	1.2
119.04931	1.0
121.02871	0.3
124.01569	0.6
125.06004	1.0
127.03912	0.5
131.04942	0.7
136.01537	0.2
141.05457	0.8
145.02895	0.2
151.03903	35.6
151.04999	3.1
152.04173	0.3
167.03391	23.6
168.03758	0.4
169.04955	3.1
188.97885	0.2
190.86229	0.2
198.52907	0.2
237.05199	1.5
242.05742	3.5
243.06337	0.3
263.03055	0.2
265.04868	0.3
267.06412	0.2
270.05240	1.4
285.07553	100.0
286.07916	3.0
291.02628	1.7
292.30908	0.2
293.04062	1.7
295.08136	2.4
309.03653	0.3
313.09158	0.6
327.04736	7.6
328.05182	0.4
329.06335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53017	4.1
55.01859	5.2
55.05510	4.5
57.03440	7.1
67.05483	5.4
68.83898	3.9
68.99775	11.0
69.03432	5.7
69.87900	4.3
70.06583	10.8
71.43101	5.4
81.03410	6.0
83.04996	5.2
84.04490	19.8
84.08112	4.7
85.02901	20.0
88.02219	8.4
88.03975	8.1
90.30028	4.4
91.05445	5.6
93.03378	6.5
95.04967	10.6
97.02895	8.8
105.03397	100.0
105.04467	5.8
105.06989	6.4
106.41941	4.3
107.04943	11.8
109.02907	7.8
119.08589	4.4
121.02857	11.0
123.04412	5.3
129.06967	9.1
130.04938	4.7
131.04933	7.8
131.08548	7.2
133.06413	4.9
135.04405	10.0
145.06544	6.0
147.04398	26.7
147.07983	4.8
149.02299	6.6
151.03941	5.6
161.06067	7.7
163.03850	14.5
163.11142	5.8
165.01883	11.1
168.06641	6.3
171.07701	8.8
173.06039	5.5
173.09651	6.6
175.00249	5.4
175.03860	11.3
177.01819	8.7
177.05479	10.7
179.03429	5.4
187.03905	13.1
189.05426	7.4
191.03401	13.7
192.06621	6.8
193.04968	5.6
195.02850	11.3
201.01740	5.9
201.05394	7.9
203.03395	7.8
205.04964	12.5
207.02876	16.1
213.05569	6.8
217.04965	18.6
217.08253	9.6
219.02882	18.8
225.03902	10.8
229.04811	11.8
231.02850	20.4
233.04436	9.9
235.05913	8.0
237.03885	5.4
243.02890	16.0
247.06091	11.5
249.03949	6.6
255.03154	6.4
259.06143	5.5
261.03851	36.1
267.06757	5.4
271.06030	13.1
273.03928	16.0
279.06540	21.3
285.03931	25.0
291.06424	15.5
295.29956	4.5
297.03998	7.5
303.05014	13.3
309.07690	24.8
317.08267	4.6
321.07758	26.1
325.07086	7.7
327.04953	14.9
333.07449	12.6
339.07901	21.6
345.06027	10.9
351.08432	8.2
363.08362	31.9
375.08398	17.6
381.09341	5.9
387.08383	10.6
393.09415	25.6
405.08838	16.6
411.10449	13.9
417.09412	10.9
423.10129	22.7
429.10416	11.3
432.17953	13.5
441.11508	44.9
447.11014	8.6
450.19617	7.8
459.11899	12.3
461.63260	5.2
465.11633	19.2
477.11758	6.8
495.12662	13.5
507.12592	9.1
525.13611	13.0
543.21594	15.2
561.15112	7.3
561.22742	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1815
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.91189	6.9
51.02352	7.0
55.01896	10.0
55.11866	7.1
56.23357	7.3
70.06595	22.3
71.18498	8.2
71.42591	6.2
81.03422	11.6
85.02907	33.6
91.05473	7.9
93.03412	14.0
95.04979	9.8
97.02885	13.6
103.05549	6.0
107.04337	7.1
107.04975	29.6
109.02903	16.5
111.04480	8.2
115.14565	6.2
119.04927	8.2
121.02883	28.7
121.06521	8.7
123.04443	24.4
131.04898	10.6
131.66183	6.8
135.04445	28.6
139.03870	8.3
147.04427	31.5
149.02371	8.8
149.05983	10.3
151.03862	9.3
153.01926	7.7
159.04440	12.4
161.05957	12.3
165.01851	10.4
167.07071	9.1
173.05951	9.0
177.05525	15.3
181.05008	11.7
182.66008	6.8
189.01859	22.0
191.03407	22.2
195.02904	32.3
198.57043	8.3
201.05453	22.6
203.03441	18.1
207.02853	44.3
215.03450	16.1
219.02888	96.5
221.04385	11.0
223.02464	21.6
225.03983	23.6
229.04971	20.9
231.02794	44.7
233.04478	22.0
233.08038	14.5
237.03922	32.3
243.02905	33.6
245.04639	11.4
249.04065	24.3
257.04514	23.9
259.02344	10.5
261.03882	100.0
270.77740	7.9
271.06036	23.6
272.06201	9.9
273.03854	37.4
273.06503	8.9
285.03812	49.7
291.04904	34.9
297.04065	16.6
297.07544	11.6
299.05533	13.4
303.04984	26.4
309.07709	13.3
315.04910	12.8
321.06143	28.8
327.04990	53.2
327.08630	26.8
339.07672	31.1
345.06094	12.5
351.08618	22.4
363.07260	37.7
381.09854	42.0
393.09207	22.2
405.08640	37.3
411.11243	12.0
417.10040	9.7
423.10223	24.8
429.11456	26.8
441.11096	27.7
447.10834	27.1
459.11981	20.4
465.11984	11.1
483.13077	12.7
495.12686	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	597.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
69.35141	0.6
69.74718	1.4
81.03384	2.7
81.03794	0.6
82.62786	0.7
90.33492	0.6
90.69809	0.8
103.05446	4.4
105.03383	1.3
110.48022	0.7
111.42327	0.6
120.04538	0.6
121.02827	0.7
131.04935	8.9
135.10890	0.6
140.03421	0.9
148.03883	1.1
149.02345	3.9
165.06970	3.9
167.03394	4.8
168.02928	6.9
176.03426	5.0
176.08264	0.6
177.01825	1.8
178.07719	1.3
179.08566	2.2
182.79158	0.7
189.06972	6.7
190.07771	11.9
191.08546	41.8
192.08884	1.2
194.04471	2.6
195.02876	6.0
197.64868	0.6
201.06946	4.4
202.07741	4.6
204.02834	0.9
205.06398	1.1
205.69629	0.6
207.08076	5.5
212.03308	0.7
216.02998	0.8
217.06415	1.3
218.07269	15.3
219.08037	100.0
220.08391	3.1
223.07632	0.9
229.07608	9.2
235.07523	9.6
237.09106	8.0
247.08536	1.8
253.08594	4.1
262.08832	0.7
263.07019	84.6
264.07379	3.3
271.42856	0.7
272.09113	4.5
280.09683	5.2
281.08026	1.8
291.06500	87.4
292.06741	2.4
298.03394	1.3
298.10788	1.0
308.01859	1.6
308.09155	38.7
309.09509	0.9
326.02930	1.5
326.10110	1.3
402.09073	0.7
412.08047	2.6
430.09348	1.6
476.09753	2.0
516.14142	2.3
526.08392	0.7
544.13812	1.9
562.15076	3.4
579.17975	0.7
580.16089	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	597.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
52.12727	0.5
53.03946	3.5
55.01855	0.8
57.35007	0.4
61.00865	0.4
63.45158	0.5
65.03929	1.7
68.99789	0.7
69.52655	2.2
75.23569	0.5
80.04996	1.0
81.02960	0.7
81.03419	8.7
91.05464	1.5
92.04946	0.5
93.03389	0.7
94.02920	2.1
95.04940	1.2
96.04491	0.5
98.22807	0.6
103.05460	22.5
105.03363	1.1
105.07043	0.6
108.04475	1.6
109.02872	1.0
110.02380	2.7
118.02883	1.0
120.04451	1.0
121.02888	2.4
122.02420	1.0
124.03832	0.5
131.04919	80.7
132.05270	1.3
136.03947	1.4
138.01921	0.6
140.03415	6.4
148.03905	1.1
149.02335	10.5
151.03886	0.6
152.03442	0.5
153.01807	1.0
155.04884	0.7
160.03928	0.9
164.03383	2.1
165.06978	3.4
166.05019	0.5
167.02043	1.1
167.03387	11.7
168.02907	30.9
169.03299	0.8
173.05975	2.0
176.03407	5.4
177.01817	14.7
178.01337	4.0
178.04985	0.8
178.07777	1.1
179.08540	1.0
180.02892	0.7
182.98270	0.5
188.03401	2.0
189.06961	4.7
190.01291	0.9
190.05003	0.6
190.07750	8.6
191.08537	29.6
192.02852	0.6
192.08867	0.6
194.00809	0.5
194.04466	3.8
195.02872	15.1
196.02464	0.9
199.03935	0.6
201.06961	4.0
202.04918	0.6
202.07730	3.7
204.02930	3.4
205.01306	11.1
206.04471	2.2
207.07951	4.3
211.07553	0.6
214.01334	3.3
215.07027	12.9
216.02905	1.7
217.06570	1.7
218.04900	0.6
218.07245	11.3
219.08032	79.9
220.02292	1.0
220.06107	0.9
220.08372	2.2
221.05983	0.8
222.03938	4.9
223.02296	3.2
229.07610	7.6
230.04544	0.8
232.02400	3.8
232.45625	0.5
233.08118	1.7
234.03999	3.9
235.07503	7.3
236.88998	0.5
237.09134	5.8
241.04916	1.1
244.02380	1.0
245.06073	0.7
247.08696	1.2
248.05367	0.6
252.02953	0.7
253.08569	7.8
258.03845	1.5
260.01862	1.1
262.03574	0.7
263.07016	69.2
264.07404	2.4
272.09149	23.4
276.05121	0.8
280.09647	5.9
281.08051	5.2
282.04602	0.8
282.07562	4.7
284.01904	1.6
286.03409	1.0
291.06491	100.0
292.06949	2.7
298.03448	2.7
298.06839	0.5
298.10794	1.0
299.05478	1.1
302.02921	1.8
308.01816	1.5
308.09149	44.8
309.07446	18.0
312.01553	1.0
316.04578	1.0
318.07443	0.7
320.04117	0.8
326.02884	3.1
326.10165	8.4
336.08701	1.9
344.03961	3.2
354.02374	0.8
362.10110	1.0
364.08206	2.2
388.08127	1.1
390.09946	0.8
392.07642	0.6
402.09726	1.5
406.09280	0.7
407.12524	1.2
412.08118	2.1
420.10663	1.0
430.09195	4.4
431.12042	0.8
433.10294	1.3
434.08261	0.5
448.10355	3.4
457.10229	1.5
458.08621	4.5
475.11203	5.0
476.09695	1.4
516.14276	2.0
534.15619	1.5
538.15460	0.6
544.13605	2.1
552.16644	3.5
561.16626	3.3
562.15027	6.2
579.17291	2.2
580.15991	6.2
581.16223	0.8
597.17999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
68.99793	2.7
69.03426	1.9
78.03423	1.0
79.01858	2.0
79.38338	1.0
80.05022	1.4
81.03420	3.8
83.01340	2.3
88.17633	0.8
91.05471	5.9
95.01345	1.9
95.04983	1.8
97.02874	6.8
100.03989	3.1
103.05465	23.6
104.06777	0.8
105.03407	1.7
105.04495	0.8
105.07063	1.3
106.02949	1.3
107.01328	3.6
108.04478	7.7
109.02864	6.1
110.02416	0.9
111.00794	2.1
115.05446	19.2
117.07019	1.7
122.02393	0.9
124.03951	7.8
125.02353	13.3
128.03448	1.7
128.06219	7.7
129.07001	15.5
131.04922	79.9
132.05260	1.7
136.03934	21.8
137.02321	1.0
138.01877	1.5
139.00293	0.9
140.03453	1.7
141.07028	1.0
142.06519	10.3
145.06490	1.8
153.01817	6.1
154.06543	1.0
155.04901	2.7
155.06094	3.0
156.02876	0.9
156.08127	1.5
158.09645	2.4
164.03450	1.2
165.06952	1.6
166.01384	1.3
167.02147	2.8
167.03392	0.9
168.02922	6.7
169.03661	0.8
170.04646	1.6
170.06009	8.9
178.01343	1.3
180.45639	0.8
181.01344	1.6
182.05933	1.1
184.07607	2.9
186.09175	3.2
190.01416	3.4
190.04907	0.9
191.02051	1.0
191.08679	0.9
192.02905	41.2
196.07622	2.0
198.09149	2.5
199.03937	3.6
208.02374	4.6
210.03976	1.6
210.09203	1.1
212.07045	29.3
212.09099	1.5
218.00826	13.7
218.04465	1.4
222.08897	1.0
224.07043	3.3
230.08208	2.0
232.06102	1.9
232.11159	0.9
235.07503	0.9
238.04996	5.4
241.04956	7.5
252.06612	3.2
253.07039	0.9
254.08090	4.7
256.06079	1.7
258.04013	1.0
263.07077	1.8
270.04031	1.4
271.08334	1.6
272.06345	1.1
272.09052	4.4
278.08191	2.5
280.06039	52.4
281.06528	0.9
282.04175	1.7
282.07596	1.1
291.06326	1.4
294.07651	1.2
296.09158	34.6
298.03564	2.4
298.07178	3.4
300.05081	2.3
308.09573	2.4
322.07074	20.8
328.04761	1.4
336.12332	1.6
337.12772	1.4
364.11966	1.0
371.05069	0.9
384.12302	67.2
385.12543	2.1
386.10373	1.6
400.15500	16.2
402.09738	2.9
404.11111	1.4
418.85330	1.0
426.13342	16.2
427.13766	1.8
429.10684	1.1
430.09204	3.4
431.12531	6.9
432.11157	1.9
452.15063	1.3
457.10416	2.1
475.11819	4.3
476.09842	6.5
493.12335	20.0
493.19037	1.6
534.15460	1.2
535.18555	1.5
549.87805	1.0
552.16876	0.9
579.17780	6.5
580.15948	13.8
581.15625	1.3
597.18652	100.0
598.18939	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	597.187
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77361	2.2
68.99785	3.7
70.06578	4.4
77.03912	3.6
91.05484	6.6
95.04986	4.2
99.08289	1.8
103.04774	2.5
103.05466	46.5
105.03426	2.4
105.07005	3.2
108.04459	2.6
115.05443	4.6
120.04434	3.1
121.02820	2.8
121.06549	2.2
129.07033	2.5
131.04922	100.0
132.05251	5.5
133.06503	5.6
136.03943	4.6
140.03322	2.0
147.04417	6.5
148.03925	4.8
150.05540	4.6
150.81651	2.1
161.06064	2.1
164.03532	2.4
165.85316	2.0
166.01302	2.3
167.02115	9.0
167.03401	2.6
168.02901	14.7
169.01366	2.9
171.04280	2.6
173.06029	5.2
178.01379	16.7
178.04977	2.4
180.02876	2.5
183.02957	3.0
185.03185	6.8
188.03465	4.1
189.05528	2.5
201.05406	2.7
204.02856	3.4
206.04521	5.5
216.02901	4.0
218.04456	7.6
224.03426	2.2
228.03050	2.4
230.04456	6.1
232.06075	2.8
234.03908	2.6
237.05205	3.6
242.04439	5.4
244.02480	8.5
246.03969	23.6
249.05537	2.4
253.08575	2.4
258.03952	23.5
260.05618	5.6
263.07083	2.2
268.02502	2.6
270.04099	3.4
270.07645	3.1
271.08414	9.4
272.09177	13.8
274.03427	2.9
276.05225	2.3
277.05020	3.2
280.06107	3.1
282.07605	13.5
286.03387	3.9
288.04947	3.6
291.02640	5.2
293.04080	4.9
298.03632	3.1
309.07547	5.9
310.10864	2.6
326.03070	3.5
327.04764	19.2
348.08594	7.1
350.10175	34.8
352.11859	3.2
362.10168	54.4
363.10519	3.2
364.11801	10.7
374.10153	2.6
384.12280	4.5
388.08151	2.6
390.09552	3.4
392.11057	3.7
393.11066	4.9
395.12192	4.9
402.09671	3.5
407.12350	29.2
412.08279	5.2
420.10745	3.8
430.09171	8.6
435.11880	4.3
446.08612	2.6
447.12274	2.3
448.10208	10.7
464.09604	6.9
516.14661	11.7
534.15643	20.0
548.13269	3.4
552.16443	60.8
553.16821	4.5
561.16132	2.3
562.14844	9.8
566.14227	9.1
579.17566	24.5
580.16376	12.0
597.18866	33.8
598.17548	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	597.2455
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
50.93365	0.4
55.05503	0.7
67.05501	1.1
79.05473	2.1
81.07057	1.2
87.04456	3.4
88.07274	0.4
89.06037	1.4
91.05481	1.8
93.07047	1.6
95.04962	1.6
95.08592	1.1
103.05502	0.9
105.03395	1.5
105.04507	0.5
105.07020	17.8
106.07350	1.1
107.08614	1.2
119.08582	2.9
121.04598	0.6
121.06535	0.7
121.10175	0.6
123.11736	0.4
127.01586	1.0
131.08574	1.2
133.08556	0.5
133.10133	0.9
139.01518	0.5
143.08595	0.6
145.10068	1.0
147.08052	1.6
147.10204	0.4
147.11569	0.6
153.03104	1.3
157.10156	0.9
159.11737	0.9
169.10184	0.8
171.11853	0.5
183.11702	0.7
191.24530	0.4
197.13298	1.1
199.15086	0.5
209.13275	0.5
225.12776	0.9
229.40849	0.6
273.11212	0.5
309.18362	1.8
353.17126	5.4
457.19427	0.5
464.39951	0.5
475.20865	39.8
476.21207	2.1
525.56152	0.5
597.24518	100.0
598.24878	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2457
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
51.36866	0.3
57.07067	0.5
67.05514	0.8
69.67924	1.1
79.05479	0.9
81.07040	0.5
83.04985	0.3
89.06042	0.6
91.05480	0.7
93.07043	0.8
95.04970	0.5
95.08611	0.5
97.10201	0.3
103.40642	0.3
104.28636	0.3
105.03397	1.7
105.07038	2.9
107.08599	0.5
117.06972	0.3
119.08611	0.7
121.10176	0.5
124.03963	3.3
133.08566	0.6
133.10159	0.6
143.08636	0.4
145.10126	0.6
147.08145	0.3
147.11702	0.4
157.10197	0.4
171.11768	0.3
178.99606	0.3
353.17197	0.6
475.20856	3.9
597.24500	100.0
598.24835	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	597.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99117	1.0
53.03942	3.0
55.01880	1.5
55.05500	12.9
57.03427	1.3
67.05518	1.3
69.03420	12.0
69.07069	4.0
70.54754	2.5
73.02901	2.0
79.05514	1.5
79.88869	1.0
81.03403	8.6
81.75172	1.2
82.12923	1.1
83.08622	13.9
85.02908	8.1
85.71862	1.2
85.77922	1.2
87.00817	3.8
91.05449	5.9
93.07023	4.8
95.04948	2.5
95.08583	2.8
97.02879	5.9
97.10174	2.4
99.04453	2.8
100.62099	1.2
103.05477	2.6
105.01838	1.3
105.04550	1.7
105.07050	3.0
109.02872	5.1
109.10144	2.3
117.06969	1.5
119.04922	4.0
120.05289	1.2
121.06482	3.5
121.10132	6.8
127.03892	6.6
128.06227	2.6
129.07021	1.8
133.06494	1.4
137.05988	1.2
139.07507	2.0
141.06987	1.2
143.08563	6.4
145.02788	1.2
145.04961	3.0
145.06477	3.2
145.10129	1.9
147.04396	16.1
148.04726	5.9
149.05940	1.8
151.03912	2.2
154.07703	2.2
155.08537	3.4
157.06456	1.3
157.10201	1.8
159.02872	1.8
159.08028	2.0
161.05940	6.2
163.03894	2.3
163.07507	6.9
163.11131	1.3
165.05540	2.7
165.06882	1.8
169.10156	4.0
171.08055	4.3
171.11714	1.6
173.05911	2.1
173.09570	2.3
174.06737	3.5
175.07497	7.5
177.05458	21.1
177.09131	4.0
178.05664	1.6
179.08475	1.6
182.07133	1.3
183.08029	2.9
185.09608	4.3
187.07578	3.2
188.08321	1.4
189.05452	11.2
189.07059	1.7
189.09067	9.2
191.06993	2.4
193.08510	1.5
195.06500	2.8
197.09657	7.2
199.07574	2.3
199.11180	1.6
201.09067	8.3
203.06998	15.0
203.10646	10.7
205.08546	2.0
207.11690	1.3
211.07492	2.9
212.08186	1.4
213.09009	7.3
215.07198	1.4
215.10645	15.1
217.08582	84.4
217.12050	3.5
218.08983	2.1
219.10086	1.7
225.09122	1.2
227.10706	1.7
228.07814	3.8
229.08569	29.8
229.12221	4.7
230.09441	1.4
231.10143	17.2
232.82014	1.3
232.84340	1.3
235.09547	8.4
243.10146	22.7
243.13792	2.9
245.11681	13.2
253.12149	3.5
255.13753	2.6
257.11679	4.5
269.15402	2.1
271.13281	5.4
271.16901	8.0
285.14954	2.8
295.16919	7.6
298.15668	1.5
313.17953	100.0
314.18228	3.5
331.19016	42.1
332.19363	2.1
349.20108	14.2
471.69348	1.3
579.23962	2.8
597.24921	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	597.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99117	1.0
53.03942	3.0
55.01880	1.5
55.05500	12.9
57.03427	1.3
67.05518	1.3
69.03420	12.0
69.07069	4.0
70.54754	2.5
73.02901	2.0
79.05514	1.5
79.88869	1.0
81.03403	8.6
81.75172	1.2
82.12923	1.1
83.08622	13.9
85.02908	8.1
85.71862	1.2
85.77922	1.2
87.00817	3.8
91.05449	5.9
93.07023	4.8
95.04948	2.5
95.08583	2.8
97.02879	5.9
97.10174	2.4
99.04453	2.8
100.62099	1.2
103.05477	2.6
105.01838	1.3
105.04550	1.7
105.07050	3.0
109.02872	5.1
109.10144	2.3
117.06969	1.5
119.04922	4.0
120.05289	1.2
121.06482	3.5
121.10132	6.8
127.03892	6.6
128.06227	2.6
129.07021	1.8
133.06494	1.4
137.05988	1.2
139.07507	2.0
141.06987	1.2
143.08563	6.4
145.02788	1.2
145.04961	3.0
145.06477	3.2
145.10129	1.9
147.04396	16.1
148.04726	5.9
149.05940	1.8
151.03912	2.2
154.07703	2.2
155.08537	3.4
157.06456	1.3
157.10201	1.8
159.02872	1.8
159.08028	2.0
161.05940	6.2
163.03894	2.3
163.07507	6.9
163.11131	1.3
165.05540	2.7
165.06882	1.8
169.10156	4.0
171.08055	4.3
171.11714	1.6
173.05911	2.1
173.09570	2.3
174.06737	3.5
175.07497	7.5
177.05458	21.1
177.09131	4.0
178.05664	1.6
179.08475	1.6
182.07133	1.3
183.08029	2.9
185.09608	4.3
187.07578	3.2
188.08321	1.4
189.05452	11.2
189.07059	1.7
189.09067	9.2
191.06993	2.4
193.08510	1.5
195.06500	2.8
197.09657	7.2
199.07574	2.3
199.11180	1.6
201.09067	8.3
203.06998	15.0
203.10646	10.7
205.08546	2.0
207.11690	1.3
211.07492	2.9
212.08186	1.4
213.09009	7.3
215.07198	1.4
215.10645	15.1
217.08582	84.4
217.12050	3.5
218.08983	2.1
219.10086	1.7
225.09122	1.2
227.10706	1.7
228.07814	3.8
229.08569	29.8
229.12221	4.7
230.09441	1.4
231.10143	17.2
232.82014	1.3
232.84340	1.3
235.09547	8.4
243.10146	22.7
243.13792	2.9
245.11681	13.2
253.12149	3.5
255.13753	2.6
257.11679	4.5
269.15402	2.1
271.13281	5.4
271.16901	8.0
285.14954	2.8
295.16919	7.6
298.15668	1.5
313.17953	100.0
314.18228	3.5
331.19016	42.1
332.19363	2.1
349.20108	14.2
471.69348	1.3
579.23962	2.8
597.24921	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	597.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99117	1.0
53.03942	3.0
55.01880	1.5
55.05500	12.9
57.03427	1.3
67.05518	1.3
69.03420	12.0
69.07069	4.0
70.54754	2.5
73.02901	2.0
79.05514	1.5
79.88869	1.0
81.03403	8.6
81.75172	1.2
82.12923	1.1
83.08622	13.9
85.02908	8.1
85.71862	1.2
85.77922	1.2
87.00817	3.8
91.05449	5.9
93.07023	4.8
95.04948	2.5
95.08583	2.8
97.02879	5.9
97.10174	2.4
99.04453	2.8
100.62099	1.2
103.05477	2.6
105.01838	1.3
105.04550	1.7
105.07050	3.0
109.02872	5.1
109.10144	2.3
117.06969	1.5
119.04922	4.0
120.05289	1.2
121.06482	3.5
121.10132	6.8
127.03892	6.6
128.06227	2.6
129.07021	1.8
133.06494	1.4
137.05988	1.2
139.07507	2.0
141.06987	1.2
143.08563	6.4
145.02788	1.2
145.04961	3.0
145.06477	3.2
145.10129	1.9
147.04396	16.1
148.04726	5.9
149.05940	1.8
151.03912	2.2
154.07703	2.2
155.08537	3.4
157.06456	1.3
157.10201	1.8
159.02872	1.8
159.08028	2.0
161.05940	6.2
163.03894	2.3
163.07507	6.9
163.11131	1.3
165.05540	2.7
165.06882	1.8
169.10156	4.0
171.08055	4.3
171.11714	1.6
173.05911	2.1
173.09570	2.3
174.06737	3.5
175.07497	7.5
177.05458	21.1
177.09131	4.0
178.05664	1.6
179.08475	1.6
182.07133	1.3
183.08029	2.9
185.09608	4.3
187.07578	3.2
188.08321	1.4
189.05452	11.2
189.07059	1.7
189.09067	9.2
191.06993	2.4
193.08510	1.5
195.06500	2.8
197.09657	7.2
199.07574	2.3
199.11180	1.6
201.09067	8.3
203.06998	15.0
203.10646	10.7
205.08546	2.0
207.11690	1.3
211.07492	2.9
212.08186	1.4
213.09009	7.3
215.07198	1.4
215.10645	15.1
217.08582	84.4
217.12050	3.5
218.08983	2.1
219.10086	1.7
225.09122	1.2
227.10706	1.7
228.07814	3.8
229.08569	29.8
229.12221	4.7
230.09441	1.4
231.10143	17.2
232.82014	1.3
232.84340	1.3
235.09547	8.4
243.10146	22.7
243.13792	2.9
245.11681	13.2
253.12149	3.5
255.13753	2.6
257.11679	4.5
269.15402	2.1
271.13281	5.4
271.16901	8.0
285.14954	2.8
295.16919	7.6
298.15668	1.5
313.17953	100.0
314.18228	3.5
331.19016	42.1
332.19363	2.1
349.20108	14.2
471.69348	1.3
579.23962	2.8
597.24921	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	597.3032
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.05513	13.1
57.03434	8.0
57.07083	1.9
67.02648	1.2
67.05499	33.3
69.07059	14.9
69.95721	3.9
71.04971	1.5
71.08582	1.3
75.87668	1.4
79.05476	9.2
81.03397	7.6
81.07047	27.7
83.08608	9.7
86.44897	1.3
91.05479	6.7
93.07047	10.5
95.08594	25.8
97.10159	3.6
98.22749	2.7
98.98457	25.9
99.04475	1.4
99.08102	1.3
105.07033	4.2
107.08603	4.7
109.02885	8.6
109.10162	6.4
111.08085	1.3
115.03699	1.4
119.08565	3.5
121.10137	4.4
122.85236	1.3
123.11695	4.8
133.10117	3.5
135.11684	2.4
136.15617	1.4
137.13228	2.0
139.70209	1.4
147.11659	3.3
149.13245	1.5
152.18045	1.3
155.01033	3.5
161.13321	2.1
163.06010	1.5
175.14912	2.3
179.54636	1.6
261.03659	7.8
263.23703	3.1
291.23514	1.6
327.13583	1.7
335.07230	4.1
337.27316	100.0
338.27863	1.7
473.19821	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	598.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03926	1.6
61.61912	0.8
65.03943	1.8
67.05511	0.8
68.99778	1.3
69.18178	6.4
76.30684	0.9
77.03914	1.2
81.03400	3.9
85.02900	1.5
91.05456	2.9
95.01318	1.2
95.04958	1.6
103.05460	19.0
105.03390	21.5
105.07045	1.0
112.03920	1.2
121.02909	4.3
131.04922	61.7
132.05254	2.7
138.01860	1.5
139.00223	2.6
140.03412	9.7
143.73450	0.9
149.02327	20.4
149.03426	1.7
153.01808	1.1
160.03937	1.0
164.03421	2.0
165.07016	1.5
166.01329	1.1
167.02158	1.7
167.03395	26.7
168.02910	54.9
176.17809	1.0
177.01807	29.0
178.01309	3.7
178.07784	1.1
179.03387	2.1
179.08542	3.3
181.10071	1.1
188.03435	1.1
189.07018	2.1
190.07748	1.8
191.08522	5.6
192.02928	3.0
195.02879	100.0
196.03236	1.4
205.01343	3.7
206.04498	3.6
207.08038	5.5
215.07027	3.7
216.02969	1.0
217.06503	2.4
218.07249	1.5
219.08051	11.0
220.02406	1.7
220.08165	1.0
223.02361	7.2
230.04675	1.4
232.02351	1.8
234.03909	3.4
235.07486	14.4
239.07056	1.0
250.06161	3.1
253.06059	2.0
253.08606	31.2
258.04074	1.4
263.07010	49.3
264.07315	2.7
271.08426	1.1
272.09155	88.0
273.09531	2.2
278.02695	1.0
281.08075	24.8
282.07516	4.4
284.01917	1.9
291.06436	4.3
292.06577	1.4
298.03488	1.1
298.07016	1.3
299.09271	2.1
308.02008	1.1
308.09024	1.4
309.07541	94.0
310.07852	3.3
310.11115	1.4
322.62796	1.0
326.02969	2.6
327.08633	5.1
328.14664	1.0
354.09586	3.7
356.11340	2.0
362.09982	1.0
388.08032	4.4
410.08682	1.2
412.08261	1.2
430.09177	2.4
434.08762	1.6
448.09961	1.5
476.09717	9.4
494.10852	2.1
516.14233	1.7
538.15057	1.4
562.15222	2.5
580.15735	3.1
598.17126	2.6
629.66675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.7
58.06581	4.1
65.03939	11.1
67.05513	20.5
68.99775	22.8
69.20776	22.3
70.06596	9.0
72.08154	15.0
75.01918	3.5
79.05485	10.0
81.03415	10.7
81.07058	15.9
83.04987	9.5
84.65005	5.1
86.06091	4.9
91.05486	13.3
95.04971	11.7
103.05466	48.3
105.07035	7.0
107.08616	11.8
109.02877	5.0
110.06049	25.2
111.00787	4.4
111.58875	3.7
113.09655	5.4
121.02880	31.9
124.11260	19.0
125.09648	26.3
130.05046	6.4
131.04924	100.0
138.05482	11.9
147.00766	4.2
149.02376	19.7
151.03944	9.0
153.63275	3.7
156.13820	12.0
161.02330	7.8
165.01775	4.8
167.03404	21.0
169.01311	26.3
177.01816	61.9
178.04967	7.9
178.92120	3.9
179.03421	21.1
179.06908	3.6
180.02936	29.0
180.17615	5.2
185.00851	26.1
185.02252	5.1
189.01830	11.0
194.04492	12.1
195.02942	34.0
196.16968	29.4
197.02524	8.0
197.04341	6.0
205.01355	59.9
206.04504	31.2
213.01950	4.7
221.00845	36.3
222.04010	7.5
222.07541	7.5
223.02359	33.2
225.01765	9.8
229.01054	4.3
231.02983	8.2
235.80106	4.1
243.02875	9.7
245.00699	4.5
250.65672	4.3
253.01302	39.9
255.02837	5.4
257.00824	4.7
269.04205	5.0
271.02325	9.0
271.06049	9.3
273.07562	18.3
281.00854	20.7
281.08038	8.0
282.08862	4.1
283.09662	31.5
284.09204	28.5
285.00223	6.8
287.05588	6.8
298.10757	23.3
299.01868	87.8
308.09232	10.5
309.00201	9.2
309.07544	99.3
310.07608	5.5
310.11002	35.9
312.99811	11.1
325.07074	24.8
326.03006	7.6
326.10370	7.4
326.13907	15.3
327.01483	8.8
327.22861	7.7
329.06345	6.2
329.14862	7.5
336.99857	4.4
354.02594	15.9
385.07010	13.7
401.10059	5.4
403.08069	68.9
413.06454	36.1
417.06421	6.6
430.09390	5.2
431.07690	14.1
441.06110	71.0
442.06372	6.4
453.23813	12.0
457.09039	10.5
458.08548	29.3
459.07272	37.7
521.11993	4.7
545.12317	76.2
546.12994	4.8
562.14532	18.2
563.12830	6.7
598.31384	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.0
55.05515	3.8
57.48480	3.1
60.98972	3.0
65.03945	12.1
67.05507	11.2
68.99783	24.4
69.12599	18.4
70.02975	5.8
70.06594	8.2
72.08167	14.1
75.38726	3.7
79.05497	11.9
81.03423	5.2
81.07050	6.8
81.32210	3.3
82.06599	4.1
83.04987	10.5
84.04500	7.0
85.02884	8.0
86.06087	3.7
91.05485	15.2
95.04971	10.1
103.05474	37.0
104.05851	4.1
105.07056	12.0
107.08609	10.8
109.02863	4.4
110.06033	22.2
118.98838	3.3
119.42582	3.7
121.02877	26.8
124.11217	19.8
125.09631	22.8
128.81653	3.1
130.05026	15.2
131.04918	81.4
132.05269	10.7
133.02859	4.4
137.02338	4.5
138.05507	4.4
147.04413	4.1
149.02361	15.3
150.05547	4.5
151.03925	34.9
152.04262	7.3
158.50917	3.5
161.02306	8.7
163.03891	6.2
165.01846	9.2
167.03371	29.3
169.01324	6.5
171.05792	3.9
177.01816	65.0
177.03198	5.9
179.07063	4.7
180.02954	5.2
180.17488	6.0
185.00806	20.6
189.01807	8.3
190.08008	4.0
195.02875	46.8
196.03406	4.4
196.16965	25.7
205.01328	63.8
206.04466	28.5
207.03030	4.7
209.00851	4.1
222.07622	7.9
223.02365	34.3
224.41586	3.3
231.02786	5.8
237.05331	3.3
258.03983	3.7
270.05084	8.2
271.02487	3.7
271.05801	16.9
285.07513	22.2
286.07886	26.2
287.05560	4.0
292.02823	5.5
292.67923	3.6
293.04236	7.0
299.01947	9.5
309.07550	100.0
310.07892	8.7
310.10788	28.7
312.99835	4.9
326.02536	4.4
326.13910	11.5
327.04813	14.1
327.22897	7.8
328.05066	16.0
329.06335	19.6
329.14737	3.9
354.02496	10.1
389.06238	8.2
390.06396	7.7
403.08133	9.2
441.06097	8.4
458.08569	16.9
459.07062	11.4
467.25708	6.6
493.12616	5.4
494.13083	22.1
545.12256	9.1
562.14856	7.2
598.18329	6.6
598.31036	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	598.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30705	2.2
55.01854	3.0
58.06858	2.6
68.99786	4.1
69.73961	9.0
69.74300	2.1
70.06574	3.5
71.79911	2.8
72.08167	4.7
79.05488	3.2
81.03410	3.1
82.73249	2.5
85.02892	6.4
91.05459	14.1
95.04940	5.3
97.02905	2.5
98.22837	4.2
100.07655	2.9
103.05467	33.5
104.05788	3.3
105.03390	5.7
105.07008	3.2
109.02857	7.3
119.04947	18.0
124.11262	4.6
125.09646	4.6
131.04915	85.0
132.05275	6.9
136.03960	6.3
136.22333	2.4
138.01848	5.8
140.03450	7.4
141.49031	2.3
147.04399	64.1
150.05402	2.9
155.04947	3.7
162.05356	2.8
165.01872	3.4
165.09077	3.1
166.01363	8.7
166.99747	3.7
167.02162	9.3
168.02898	44.1
169.01308	7.7
171.04439	6.6
176.03499	3.9
178.01367	27.0
178.05006	5.1
179.03461	3.8
183.02928	3.7
185.00821	4.0
185.03221	5.7
188.03471	4.0
190.01381	3.3
192.02887	8.7
196.02406	5.4
196.17035	5.0
197.05977	2.8
199.02293	3.0
204.02960	6.1
218.00842	7.2
218.04488	16.1
220.02412	3.3
222.04103	2.7
223.02394	7.3
225.05502	3.5
228.02852	10.1
232.02463	4.0
240.06622	4.0
241.04913	6.7
246.03966	31.6
253.05031	3.1
256.02399	4.5
268.02359	3.5
269.06793	3.3
270.03867	2.6
270.07709	5.3
271.05750	3.8
271.08310	4.1
272.01837	3.5
272.09103	15.8
280.06027	8.8
282.07596	28.3
285.07446	5.2
293.04044	3.6
294.04123	3.6
296.01901	7.3
298.03580	3.0
298.07104	3.1
306.02368	4.8
309.07584	6.5
318.07669	2.8
322.07022	6.1
324.01389	18.2
327.04684	10.3
328.05078	8.2
329.06131	3.1
342.02472	12.0
350.10196	100.0
350.14496	5.5
351.10516	4.2
354.01657	3.0
362.10272	3.1
363.10526	4.4
366.09753	7.7
376.08173	5.5
378.09598	2.8
388.08212	3.4
400.08206	6.2
416.07434	3.7
420.10492	5.4
426.05972	5.2
428.07626	20.0
444.06625	4.5
446.08691	31.8
462.07803	6.9
464.09775	52.9
477.07974	3.9
478.11267	35.2
492.14096	3.4
494.10519	4.5
520.13910	9.1
530.12708	3.4
548.13409	21.0
553.16479	5.1
563.15039	3.0
566.14374	86.6
567.14490	3.2
580.17731	3.6
581.16315	4.4
589.49420	3.1
598.17133	58.8
598.31244	3.2
599.17419	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	598.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83262	1.2
56.53142	1.3
60.04517	2.0
66.40224	1.2
69.87175	5.2
72.54720	1.4
74.85135	1.2
79.67743	1.4
80.53110	1.2
81.07049	2.7
91.05466	1.6
93.07049	2.8
102.90098	1.4
104.53910	1.4
105.07039	2.2
107.04953	1.4
119.08571	3.5
121.06462	1.3
124.69395	1.3
144.16052	1.5
146.02162	5.1
211.69536	1.6
214.10342	1.2
353.17313	5.6
468.61603	1.7
475.20789	2.7
476.20453	29.3
477.20926	2.0
588.18750	1.5
598.24115	100.0
599.24908	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	598.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31165	0.3
55.05505	0.4
67.05504	0.6
71.43986	0.4
78.03426	0.4
79.05451	0.4
81.03398	0.4
81.07070	0.8
91.05471	0.8
93.07047	1.1
95.04984	0.7
95.08611	0.7
102.03184	0.7
105.03402	1.7
105.04484	0.3
105.07034	1.5
106.02879	0.5
109.06519	0.3
109.10205	0.5
119.08600	1.2
121.10159	0.7
124.03942	3.6
131.08606	0.9
133.10101	0.6
143.08568	0.6
145.10115	1.3
146.02095	3.3
147.11732	0.4
157.10101	0.7
159.11743	0.5
164.69922	0.3
171.11772	0.6
178.01425	0.4
181.10265	0.5
187.14813	0.5
199.14844	0.4
230.28073	0.4
279.45746	0.3
295.85300	0.3
309.18262	0.6
353.17206	1.1
357.11304	0.4
392.10925	0.4
443.37006	0.4
475.20837	6.3
476.20871	0.7
537.18652	0.5
580.27472	0.6
598.24036	100.0
599.24414	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	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
60.30165	0.8
61.02905	1.0
62.69493	0.7
69.03419	1.6
69.39579	0.7
69.83700	1.9
69.84060	1.4
70.02602	0.8
70.47434	0.8
71.04974	0.8
73.02902	0.8
79.05502	3.1
81.03418	12.7
85.02902	10.7
91.05487	2.1
95.04977	2.5
96.04510	2.1
97.02907	2.8
98.22752	1.6
103.05461	1.3
105.07021	2.0
107.04945	7.3
109.02888	1.2
115.05471	5.7
117.07014	12.3
121.02874	3.5
123.04430	2.7
124.05254	2.2
127.03977	1.3
129.07010	2.9
131.04967	1.7
131.08583	2.6
133.06467	1.5
141.06998	1.5
143.04959	1.1
144.05714	2.2
145.04933	1.7
145.06490	33.5
147.08025	1.5
151.03899	1.9
152.04733	1.7
153.05484	1.2
154.08655	1.5
155.06023	6.6
155.07066	0.9
156.05653	7.1
157.06474	1.6
159.08075	6.5
161.06023	3.3
167.07042	48.1
172.05177	1.1
173.05988	57.7
174.06401	1.5
175.03818	1.5
175.07529	1.4
180.08681	3.5
181.04987	1.0
184.05226	1.9
186.06718	0.9
187.07565	6.4
190.06256	32.3
191.06931	2.6
193.08582	2.1
202.06241	3.6
203.07088	7.3
205.08604	100.0
206.08914	1.9
207.06477	1.0
217.08600	41.7
218.09143	0.8
219.08134	1.9
219.10185	4.3
223.07753	1.0
223.09671	3.5
231.10094	0.9
235.09654	24.8
235.90559	0.9
247.07602	1.6
247.09685	6.2
248.08395	1.3
263.10696	1.9
265.10727	26.7
269.08099	1.2
271.09604	1.2
276.07938	1.0
277.08429	1.4
279.10095	1.1
291.10138	1.6
315.08572	4.2
319.09708	1.3
323.12949	1.7
330.10883	5.3
331.11752	2.9
339.12433	1.7
351.12195	5.5
371.14853	3.8
374.58109	0.8
383.14987	8.9
401.15915	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	598.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	3.6
57.03446	3.4
60.04510	6.7
61.02909	3.7
69.03421	7.3
69.07065	3.3
69.29285	2.7
69.58361	14.4
70.06583	9.2
72.87215	3.0
79.05469	5.3
81.03416	14.2
81.07045	6.0
85.02903	11.3
86.09718	3.1
91.05474	7.0
96.09111	2.8
98.23479	6.9
105.07076	4.5
107.04945	5.1
107.08534	3.0
107.28873	3.5
115.05445	7.7
117.07037	10.5
119.04945	4.5
120.59399	3.3
123.04420	3.5
124.05157	3.1
127.03900	4.9
129.07059	3.8
131.08556	4.5
135.20461	3.2
137.05998	10.1
141.06915	4.9
145.06494	30.8
147.04399	4.6
155.05966	4.1
156.05669	6.3
159.07996	5.2
161.05986	6.7
161.73444	3.7
167.07030	50.4
173.05952	48.6
187.07549	6.8
190.06230	35.1
203.06987	3.9
205.08574	100.0
217.08559	38.8
219.10344	3.5
223.09747	3.9
231.40540	4.1
233.11812	10.4
235.09602	27.1
247.09543	8.4
265.10751	28.4
302.60046	3.5
315.08655	4.7
330.11176	5.6
383.14645	9.6
386.66763	3.3
401.15894	13.2
536.20410	3.6
598.24316	16.6
598.33655	6.7
599.30341	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	598.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39716	2.2
52.79602	2.2
53.03935	4.7
55.05497	16.0
57.07064	2.9
58.38085	2.4
67.05490	20.7
68.12675	2.4
69.03417	100.0
69.03798	4.9
69.07055	8.3
69.19984	11.0
71.39614	2.2
77.23048	2.6
78.03433	3.3
79.05469	12.8
80.04978	3.6
81.03409	30.7
81.07040	13.0
83.04969	45.0
89.06050	2.8
91.05463	27.2
93.07030	14.4
95.04959	14.4
95.05504	2.8
95.08587	20.2
97.06522	5.0
97.43764	2.2
103.05371	3.3
105.07019	32.7
106.02930	11.7
107.04945	2.6
107.08584	19.1
109.06497	8.0
109.10136	6.3
111.04425	82.1
113.05995	10.8
115.05428	2.7
117.06984	21.5
119.08574	29.7
121.06459	4.9
121.10150	8.4
123.08086	7.4
124.03936	61.8
125.09657	3.0
127.01501	3.7
128.06233	8.4
129.06992	16.8
130.07744	4.5
131.04887	11.3
131.08548	49.1
133.06465	4.4
133.10094	14.2
135.08054	7.3
135.11656	3.5
141.06944	7.2
142.07759	6.5
143.08531	22.1
144.09402	2.5
145.06470	7.3
145.10104	40.0
147.08031	7.4
147.11674	7.3
149.09621	3.6
149.13193	3.0
149.57994	2.4
154.07707	4.1
155.08507	12.3
156.09322	12.3
157.06471	2.6
157.10109	28.7
158.10922	4.1
159.08038	13.1
159.11633	17.4
161.09619	5.6
161.13263	5.3
163.11125	3.5
163.14816	4.4
165.07010	4.3
166.07748	3.7
167.08525	6.5
168.09311	9.2
169.06519	2.3
169.10106	11.2
171.08057	7.0
171.11671	19.2
173.09633	7.2
173.13235	74.3
175.11154	5.6
177.12720	4.6
179.08487	5.6
180.09360	2.7
181.10083	11.8
182.10870	3.5
183.08055	4.8
183.11650	20.5
185.09630	8.3
185.13240	10.3
188.90884	2.7
189.09070	4.5
189.12698	19.5
191.10629	7.6
191.14268	70.6
192.06607	4.2
193.10110	9.6
195.11662	7.5
196.08894	3.0
197.09535	4.2
197.13199	4.4
199.11081	6.9
201.12732	36.6
203.14290	18.1
206.10854	3.7
207.11629	5.4
209.09685	4.8
209.13083	3.6
210.07581	53.3
210.09515	3.6
211.11188	7.7
211.14717	3.1
213.12680	4.4
217.12263	3.0
219.13768	40.2
221.09630	3.2
221.13246	5.7
223.11134	5.9
229.12155	6.0
237.12558	3.0
237.16380	5.9
239.14365	3.2
241.12286	2.9
247.13124	4.9
253.15810	2.7
265.15878	9.0
267.13708	3.2
275.14182	2.9
283.13638	4.0
283.16769	17.7
293.15256	10.2
301.17902	3.7
311.16324	25.8
329.17310	24.7
347.18643	5.2
389.19452	13.7
414.59909	2.6
414.93976	2.8
478.22095	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	598.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01864	3.0
55.05523	1.6
57.03445	1.9
67.05496	2.5
69.03422	12.1
69.82877	4.1
71.04959	1.1
73.02917	2.7
80.29592	1.1
81.03410	7.9
81.07040	4.2
85.02904	23.5
87.00807	12.0
91.05504	1.4
93.07053	1.8
95.08595	7.7
97.02898	12.4
99.04465	3.9
99.75292	1.3
105.01854	11.9
105.07056	1.6
109.02877	7.2
109.10167	2.2
112.84769	1.2
113.09671	1.7
127.03908	13.5
129.07082	1.5
130.58910	1.4
131.08594	1.3
135.04448	1.6
138.05505	27.2
145.04959	5.9
145.06529	2.1
149.05981	1.5
150.01096	1.3
151.07541	8.1
151.58763	1.2
153.05396	2.6
159.02856	4.4
159.08090	1.8
163.07547	42.0
165.09218	1.8
175.07594	2.4
177.09106	17.7
179.10739	1.3
181.08644	10.7
189.09108	9.9
191.10635	1.9
195.11783	1.2
201.09161	2.2
203.10690	10.3
205.08699	2.6
207.10129	5.6
213.09123	2.4
215.10646	3.3
217.12125	2.9
219.10229	1.6
221.11685	9.3
227.10626	2.3
231.05046	3.9
235.13206	1.9
271.16888	5.1
287.16492	2.4
289.18073	2.0
297.18451	18.6
315.19550	100.0
316.19934	1.8
333.20639	12.5
457.26227	1.5
566.20636	3.0
598.25116	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	598.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.0
57.03429	4.0
60.04538	6.7
67.05503	20.5
69.03408	8.4
69.07056	7.3
69.23316	28.3
71.05002	6.3
79.05481	14.7
81.07054	20.3
83.04981	12.6
83.08613	5.5
85.02912	9.0
86.09685	5.3
87.46613	4.4
88.17863	4.9
91.05484	30.9
93.07027	37.0
95.04975	10.3
95.08617	27.3
97.02942	6.3
105.01880	10.7
105.07021	29.9
107.04965	6.8
107.08603	32.6
109.02893	7.8
109.10140	10.0
111.04440	43.7
111.08114	5.2
115.05428	6.4
117.07004	16.7
119.04948	6.2
119.08578	61.3
121.06517	27.3
121.10077	8.5
127.03928	10.0
129.07018	12.2
130.07820	5.9
131.08563	19.3
133.10130	14.4
135.08067	11.5
139.07564	23.6
141.07019	6.1
142.07767	9.3
143.08580	13.7
144.09314	12.1
145.10130	68.1
147.04402	13.2
147.08020	6.3
147.11656	7.3
149.78822	4.9
151.03891	5.6
155.08577	9.6
156.09367	4.8
157.10159	36.6
159.11678	100.0
162.37274	4.8
163.11078	6.0
167.08534	8.8
169.10106	15.4
171.11700	18.1
173.09496	7.8
173.13287	9.8
175.11108	4.8
181.10088	15.2
182.10909	7.4
183.11754	13.8
185.13239	15.8
187.14825	13.8
190.06097	5.3
191.10695	6.1
195.11740	18.9
197.13257	11.0
199.14841	11.4
203.10666	8.7
205.08633	8.5
208.12628	4.8
209.13222	14.7
213.12787	7.3
215.10641	6.9
222.13936	8.0
223.14876	7.9
229.12312	7.3
231.05080	6.0
235.14804	9.0
237.16309	13.5
241.12250	11.1
251.17862	10.9
254.50983	4.9
255.13676	6.9
269.18912	8.7
279.17447	12.3
287.20126	7.9
297.18515	51.1
315.19571	44.4
333.20123	6.5
339.19431	6.1
405.20624	30.5
473.41965	4.9
490.40411	5.7
521.36072	5.0
527.22705	11.0
559.18793	4.9
598.34064	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	598.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58394	2.3
51.02368	2.7
54.70441	2.0
55.01865	4.5
55.05503	10.4
57.03433	6.8
57.07067	3.4
58.78176	2.3
59.04996	6.8
61.55318	2.2
62.47262	2.6
65.03944	3.6
67.05501	20.7
69.03416	3.8
69.07066	6.4
70.68163	4.1
75.77717	2.2
78.03445	18.8
79.05497	15.1
81.03412	3.7
81.07057	16.9
83.04984	13.0
83.08620	4.5
87.04465	2.8
89.06026	7.3
91.05486	17.8
93.07031	22.4
95.04948	8.1
95.08613	16.8
96.04465	5.2
97.02879	3.8
97.06559	2.7
98.98486	3.9
103.05460	4.9
105.04478	2.6
105.07024	46.8
106.02911	88.5
107.04963	4.4
107.08575	17.9
109.06507	11.6
109.10149	9.0
111.04440	19.3
115.07561	6.4
117.06995	7.7
119.04902	3.0
119.08578	28.4
121.06544	5.9
121.10142	12.1
123.08047	6.6
123.11687	4.6
124.03945	100.0
125.05978	3.0
127.07607	2.6
128.06213	3.5
129.06995	3.8
131.08565	13.9
133.10115	22.8
135.08046	9.2
135.11687	4.6
137.05960	2.6
137.09656	3.0
139.07498	3.9
142.07784	5.2
142.84531	2.3
143.07059	2.2
143.08589	14.0
144.09395	3.0
145.10110	24.7
147.08076	6.1
147.11702	10.7
149.09612	6.3
149.13277	2.7
155.07283	2.4
155.08556	7.0
156.09308	5.8
157.10110	22.0
158.10820	3.9
159.08055	3.9
159.11667	25.5
161.05852	2.6
161.08055	5.5
161.09557	3.7
161.13237	6.1
163.11211	5.7
165.06908	3.0
165.09126	4.3
167.08583	5.0
169.08778	2.3
169.10106	10.4
170.10901	8.6
171.08165	2.8
171.11681	13.3
173.09610	6.9
173.13257	9.6
175.11221	3.7
177.12717	6.6
178.08730	11.4
179.08536	5.1
180.09300	4.5
181.10097	9.9
182.10789	3.9
183.11693	10.2
184.12373	4.4
185.09608	3.3
185.13202	15.6
187.09669	3.0
187.14810	10.8
188.85750	2.5
189.12779	2.8
193.10120	6.3
194.10904	5.5
195.11646	13.9
196.12424	5.4
197.13245	16.8
199.11150	5.5
199.14789	10.8
201.12718	8.0
203.14233	4.7
205.15909	3.6
206.08138	6.7
207.11720	7.3
209.13237	13.2
210.13898	4.8
211.14885	8.9
213.09157	3.3
213.12772	3.5
213.16371	3.5
215.10596	4.5
215.14252	2.9
220.12436	6.1
221.13356	3.5
221.15404	7.1
223.11084	2.8
223.14796	4.3
224.09138	22.2
225.16411	4.2
227.17995	2.9
233.15425	3.2
234.14053	3.8
235.14941	12.5
237.12746	3.9
237.16389	4.3
241.12262	3.3
249.16273	4.4
251.17966	9.2
253.16032	4.3
255.17485	5.2
269.15494	5.7
279.17410	6.9
285.18433	3.5
295.16882	6.1
297.18433	23.4
301.20099	4.8
302.20117	11.9
303.19742	2.8
309.18460	3.8
313.18069	9.7
315.19418	17.0
324.61636	3.1
327.19565	12.9
332.77579	3.3
338.27655	7.9
345.20615	16.0
363.21552	4.1
415.24557	3.3
515.02850	2.6
538.28192	7.6
580.28760	8.0
598.30811	87.7
599.30109	7.9
599.40045	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.4
53.03928	1.0
55.01867	0.7
55.05504	1.9
65.03928	0.9
65.80446	0.5
67.05502	5.0
67.27427	0.5
69.03404	0.7
69.07054	2.3
71.40393	0.5
71.42142	0.5
73.06534	1.0
73.07905	0.5
73.78765	0.5
78.03450	9.3
79.05495	3.9
80.05022	5.1
81.07057	2.9
83.04960	1.8
91.05468	4.7
92.03410	0.5
93.07045	5.3
95.04952	1.4
95.08604	6.8
96.04493	5.9
97.02888	0.7
103.05441	0.6
105.07024	7.7
106.02911	23.4
107.08585	8.2
109.06548	2.8
109.10172	2.5
111.04439	9.9
111.08121	0.8
112.59470	0.5
115.05443	1.0
115.06745	1.1
115.07562	22.1
117.06981	1.5
119.08576	9.4
121.06512	2.7
121.10156	5.2
123.08069	1.2
124.03945	100.0
125.04270	0.7
125.09620	0.7
128.06209	0.9
129.07013	2.2
131.04880	1.2
131.08577	4.2
133.10107	5.3
135.08069	1.3
135.11702	1.9
137.09560	0.7
137.24240	0.5
139.07550	1.0
141.06996	1.0
142.07777	2.4
143.07016	2.0
143.08545	3.8
144.09383	0.7
145.10117	8.6
147.08041	1.2
147.11690	5.1
149.09602	1.3
149.13249	1.0
150.48221	0.5
151.07570	0.9
155.08566	2.2
156.09326	2.4
157.10098	7.6
158.10921	1.2
159.08038	0.6
159.11696	7.9
161.09604	1.9
161.13274	1.7
163.07594	0.7
163.11124	1.3
165.07056	0.9
165.09085	0.8
167.08583	0.7
167.68936	0.5
169.10092	2.8
170.10873	2.0
171.11674	6.3
172.12389	1.0
173.09608	1.3
173.13228	2.6
175.11160	0.9
175.14861	1.0
177.12714	2.1
179.08551	1.0
180.09349	0.5
181.10095	1.5
182.10835	1.0
183.11665	2.5
184.12407	1.1
185.09595	0.9
185.13242	4.4
187.11205	2.0
187.14819	3.6
189.09100	0.7
191.10645	0.7
193.10156	1.5
194.10864	0.9
195.11737	3.8
196.12463	0.7
196.16953	1.0
197.09608	1.0
197.13263	3.8
199.11198	0.8
199.14816	6.4
200.15572	1.3
201.12640	0.8
201.16336	0.7
203.10648	1.5
203.14281	1.2
205.15904	2.1
207.11671	1.1
208.12497	0.8
209.13239	3.0
211.14815	2.1
213.12773	1.4
213.16412	2.3
215.10670	1.7
217.12315	0.5
221.13336	0.8
222.14044	0.8
223.11053	0.8
223.14789	1.6
225.16370	0.9
227.17815	0.7
235.14867	1.1
237.12750	1.3
237.16400	2.4
239.14308	0.9
241.12215	1.7
241.19511	0.7
251.14140	0.9
251.17970	3.1
253.19560	0.7
255.13783	1.5
255.17377	1.7
257.15274	1.3
259.16861	1.0
268.13235	2.0
268.54254	0.6
269.19012	2.2
273.14868	2.3
273.18381	0.7
279.17554	2.6
287.20047	0.8
297.18469	16.0
298.18915	0.6
311.24823	0.5
315.19504	12.6
326.13708	0.6
420.21591	3.6
438.22833	3.8
538.28210	1.0
555.97968	0.7
556.29077	1.2
580.28979	9.6
598.30194	13.8
599.30902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
55.05285	0.7
55.05506	6.5
57.03437	4.2
59.04989	1.7
60.08138	0.8
65.03937	1.0
66.93963	0.7
67.05502	23.8
67.05862	1.6
69.03426	0.7
69.07050	1.4
70.02958	0.7
70.06594	12.4
71.42705	0.7
72.04516	4.9
72.08154	36.7
79.05058	1.5
79.05492	23.2
81.03405	1.2
81.07052	11.1
82.06551	2.6
83.04528	1.1
83.04977	15.1
84.08147	0.8
86.09692	2.2
90.05544	6.4
91.05479	5.7
92.05791	0.7
95.04942	3.2
95.08543	0.9
97.10164	0.8
98.02414	1.7
98.09646	0.8
103.05455	0.9
105.07010	3.2
107.04948	1.2
107.08588	19.8
110.09666	2.6
115.75980	0.8
116.03444	0.8
117.03423	1.0
119.04915	0.8
122.09687	0.8
124.07575	2.7
124.11227	81.1
124.99955	2.0
125.09629	53.1
131.04858	0.9
136.11194	1.0
145.02832	2.6
146.03195	0.7
151.03918	15.2
151.05064	0.8
152.07018	0.8
166.08669	5.4
167.02132	2.1
168.02925	1.0
169.01326	5.2
177.05460	4.6
178.05788	2.1
178.15903	1.3
180.02934	4.6
184.07326	10.6
184.09731	7.6
184.97360	0.8
196.16965	100.0
197.17239	2.2
204.06714	0.9
208.41257	0.8
208.43297	0.8
209.08116	1.2
220.06029	7.6
222.07617	23.7
240.08696	2.0
248.94974	0.7
256.15448	2.0
273.17978	5.0
287.05475	28.7
295.08243	1.5
313.18045	0.8
324.12350	1.7
326.13852	46.5
327.14325	1.4
327.22757	25.6
343.16635	7.6
350.27771	0.7
395.19809	1.0
467.25381	16.6
468.24896	1.1
482.21890	1.5
598.31134	33.6
599.31580	1.9
620.72797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	100.0
59.91854	0.4
65.03934	0.4
67.05493	0.7
69.03429	0.5
71.05008	0.8
71.42854	0.5
73.02905	3.1
73.06555	3.5
78.99503	0.9
81.03405	1.0
85.02892	0.4
86.49009	0.4
87.04456	3.2
89.06026	8.7
91.05450	0.5
93.07029	0.4
97.02860	1.2
103.07575	67.4
104.07912	0.6
111.04463	0.5
113.00024	4.7
115.07573	1.1
117.09120	2.9
121.02876	0.6
124.03966	0.5
127.01557	39.0
133.08592	5.0
137.06047	0.6
139.01543	15.3
147.04356	0.5
147.10153	23.3
151.03896	6.8
151.05013	0.8
153.03104	45.2
160.60043	0.5
165.05426	0.4
169.04916	1.1
177.05434	1.2
177.11183	1.3
183.04167	5.0
191.12737	1.2
197.05731	20.8
224.79308	0.4
227.06767	2.6
241.08290	4.6
259.09451	0.7
271.09451	2.4
285.10852	1.8
287.05478	17.6
295.08136	0.6
303.12006	0.9
315.11902	1.9
315.15298	0.6
323.22180	0.5
329.13721	0.5
331.15274	0.6
331.18951	1.0
332.19659	1.0
347.14197	0.9
349.19949	1.0
350.20361	2.7
359.14417	0.5
391.16971	1.0
412.95425	0.5
491.23563	0.4
554.16907	2.2
555.16699	0.5
562.23602	0.5
562.64764	0.5
581.29352	3.7
598.15930	5.9
598.24377	1.1
599.15094	0.7
599.25049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99756	1.9
55.05506	3.5
55.53352	1.8
67.05490	9.2
69.07042	2.4
70.70924	3.3
71.04992	2.5
79.05489	4.0
81.03416	6.3
81.07053	7.0
83.04967	4.5
91.05469	13.9
93.07017	15.5
95.04959	5.1
95.08581	8.8
97.06506	2.3
105.07019	20.0
107.08549	10.4
109.02913	1.8
109.06509	4.8
109.10123	3.9
111.04420	11.7
115.05424	2.7
117.07029	4.4
119.08570	22.3
121.06503	3.1
121.10149	10.2
123.08077	2.5
125.05982	2.1
127.03886	9.1
128.06175	2.3
128.97395	2.0
129.06990	5.4
130.07797	2.5
131.08568	12.4
133.06461	5.4
133.10135	11.7
134.07271	4.2
135.08080	2.1
141.06999	2.6
142.07773	5.1
143.08543	14.8
144.09358	2.4
145.08646	3.1
145.10103	26.7
147.08066	4.4
147.11642	8.4
148.08801	1.6
149.09653	2.6
155.08537	10.3
156.09268	9.2
157.10100	15.2
159.08032	4.4
159.11694	17.8
161.09589	5.6
163.07553	1.5
165.07002	2.9
167.08553	6.0
168.09309	3.6
169.10129	17.5
170.10919	8.1
171.08096	2.2
171.11673	16.1
172.12398	3.4
173.09637	4.0
173.13245	11.4
175.11160	2.4
179.08533	5.7
180.09293	2.5
181.10092	8.6
182.10922	4.2
183.11687	26.6
185.09566	2.7
185.13263	9.3
187.11218	3.5
187.14803	14.6
188.11935	3.2
189.09071	2.7
192.09352	4.9
193.10065	9.9
194.10902	2.6
195.11641	11.2
196.08821	1.8
196.12457	3.9
197.09564	4.0
197.13237	20.4
198.14020	20.0
199.11188	2.3
199.14752	4.9
201.09073	3.4
201.12743	4.6
203.14322	10.5
205.10214	4.4
205.32004	2.0
206.10986	4.6
207.11676	14.2
208.12448	3.8
209.13234	7.8
210.10275	1.8
210.14096	2.0
211.11206	3.9
211.14772	8.2
213.09082	2.3
213.12723	2.0
213.16324	3.6
215.10715	3.4
215.14302	5.9
216.15100	4.1
219.11708	3.5
220.12460	6.0
221.13246	7.7
223.11296	2.0
223.14764	8.0
225.12810	3.6
225.16318	6.9
231.09998	2.7
234.14020	7.3
235.11128	4.5
235.14780	11.4
237.12814	2.2
239.10542	3.3
239.14291	4.6
239.17957	5.0
241.12260	2.0
241.83900	1.8
249.16380	19.4
251.10451	1.9
251.17917	4.5
253.12267	7.4
253.15820	5.4
255.13821	2.9
256.24985	1.8
262.13275	2.0
265.12308	2.1
267.13983	2.5
267.17444	11.0
271.16965	5.5
277.15887	11.0
283.17032	3.2
285.18539	7.0
295.16901	86.6
313.17957	100.0
314.17944	2.9
331.19003	22.4
352.15060	1.7
355.19012	18.4
373.19946	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	598.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
57.07090	1.0
60.04527	1.0
67.05505	4.6
69.03416	1.9
69.07072	2.5
71.04981	6.5
77.03945	1.0
79.05508	5.2
81.03405	6.0
81.07044	6.6
83.04978	1.9
85.06516	1.3
91.05462	6.3
93.07052	8.2
95.05004	2.2
95.08608	6.2
97.02898	6.4
97.06536	1.7
98.22633	2.2
99.04462	1.0
105.07039	10.0
105.11213	1.0
105.69828	0.8
107.05002	0.9
107.08571	5.6
109.06531	2.5
109.10152	1.2
111.04457	1.9
113.06008	1.4
115.05415	1.3
117.07041	2.4
119.08565	13.7
121.06493	1.7
121.10162	6.2
123.08083	2.1
124.03963	1.8
125.05959	1.0
127.03920	3.5
127.07593	1.2
128.06284	1.3
129.07004	3.1
131.07059	9.7
131.08540	6.8
133.06494	1.3
133.10129	7.6
135.08022	4.6
135.11693	1.6
142.07785	2.9
143.08543	6.2
144.09302	1.1
145.08601	17.8
145.10121	12.6
147.04440	1.6
147.08018	2.3
147.11673	6.3
149.09702	1.6
149.13223	1.6
155.08525	5.4
156.09357	4.4
157.10130	12.0
159.08136	2.4
159.11702	7.8
161.09608	2.8
161.13275	1.1
165.09131	1.1
167.08572	2.8
168.09349	1.8
169.10118	9.4
170.10905	5.9
171.11697	11.1
172.12480	1.8
173.09637	8.9
173.13222	5.6
174.10422	1.2
175.11191	3.8
175.14906	1.2
178.07719	1.0
179.08557	2.0
181.10103	6.4
182.10823	2.4
183.08195	1.1
183.11710	11.6
184.12553	1.4
185.09668	2.8
185.13211	7.5
186.10341	1.2
186.14037	1.0
187.11232	5.8
187.14813	12.6
188.11986	1.7
189.09164	1.0
189.12752	1.5
191.09163	5.7
192.09349	2.9
193.10161	9.5
194.10881	3.0
195.11606	6.8
196.12485	6.4
197.09589	2.3
197.13263	7.2
198.14075	2.4
199.06017	1.8
199.11275	1.4
201.09032	1.1
201.12811	2.7
201.16447	1.6
203.10715	2.1
205.10234	2.3
205.16019	1.1
206.10960	2.2
207.11684	13.6
208.12170	1.0
209.13297	4.1
211.11206	3.9
211.14813	24.6
212.15292	1.2
213.16354	2.1
215.10603	1.3
215.14325	7.8
216.15157	1.4
219.11720	2.2
220.12439	5.9
221.13370	7.6
223.11200	1.5
223.14775	2.5
225.12912	2.2
225.16350	4.3
227.14326	1.3
229.12219	1.6
229.15878	3.8
231.10150	4.5
233.13217	1.1
234.14023	3.1
235.14812	14.1
236.15495	2.8
237.12595	1.3
239.10640	1.2
239.14233	1.3
239.17908	1.8
249.16307	7.5
252.15353	1.0
253.12224	5.8
253.15863	3.4
255.14075	1.5
257.11746	3.3
257.15240	1.4
266.12939	1.8
267.13867	2.1
267.17410	2.7
271.13306	2.1
271.16925	2.2
277.15756	2.5
280.14673	2.3
285.14920	5.0
285.18463	4.5
287.16473	1.9
288.20441	1.2
295.16916	28.9
303.19608	2.1
313.17963	63.2
314.18329	2.3
331.19043	13.3
353.16965	1.2
373.20084	100.0
374.20416	4.4
466.49463	0.9
475.20837	2.9
476.20584	2.7
598.24078	11.8
598.32770	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	598.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
53.03950	0.4
58.60909	0.3
69.86508	0.5
75.67414	0.2
77.03951	0.6
77.46944	0.2
79.05489	4.2
86.60670	0.2
87.04465	69.4
88.04788	0.6
91.05497	0.3
95.04966	2.3
101.59884	0.2
103.05463	3.6
105.07024	100.0
106.07354	1.4
109.94896	0.3
121.06508	0.5
121.18499	0.2
129.03795	0.3
131.08569	0.5
147.08069	0.3
191.10655	0.4
209.13239	4.0
221.09401	0.2
222.79028	0.3
223.11008	0.4
251.14352	1.4
269.13800	6.8
269.16577	0.5
327.17551	1.3
329.18893	0.6
337.27365	0.4
361.74438	0.3
373.20068	2.8
403.29340	0.2
406.91946	0.2
445.04181	0.3
475.24344	0.9
598.34430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16047	0.5
51.67904	0.5
53.00039	0.6
54.42008	0.5
59.04982	0.6
64.92406	0.5
65.03934	6.3
67.05469	0.6
68.46736	0.5
68.99788	2.3
69.03406	0.8
69.55284	2.3
70.06561	0.5
73.02918	0.6
74.81545	0.5
81.03392	0.9
81.07040	0.7
83.01305	0.9
85.02914	0.8
87.04440	1.5
88.79671	0.6
89.06012	1.8
91.05451	1.8
91.58634	0.5
93.07033	0.5
97.02849	0.9
98.23418	1.2
105.01820	0.6
107.08637	0.5
109.02881	0.7
111.04441	5.7
118.04142	1.1
119.04934	8.2
121.02861	100.0
121.03904	4.9
121.10112	0.8
122.03214	1.3
125.02345	3.7
127.01589	0.6
128.17284	0.5
131.04884	0.8
133.08604	1.3
138.05482	1.7
139.00250	7.0
139.01266	0.8
145.02841	4.0
147.04413	1.8
149.02386	1.0
153.01823	17.4
153.03000	0.9
157.01401	0.8
159.04375	0.7
163.03899	0.7
167.03433	0.9
171.02875	5.0
183.02863	1.0
185.00961	0.7
187.03920	0.8
191.03517	0.7
195.02971	1.1
197.00806	0.6
207.02873	0.8
209.00801	0.7
226.06331	0.8
229.01372	0.6
229.05063	1.0
230.99188	0.6
238.06270	1.1
243.06502	1.0
248.04730	0.9
252.04248	1.2
254.05785	1.0
257.04443	18.2
258.98810	0.7
261.00333	1.9
266.05649	1.1
267.06619	2.5
268.03568	0.9
269.98087	1.1
270.05154	0.9
271.06000	34.0
272.06503	1.4
276.04297	1.0
278.05795	1.3
280.03552	2.6
282.05231	1.8
283.05936	0.9
285.03903	48.5
286.01407	1.0
286.04486	4.2
287.05563	1.1
287.19901	0.7
287.99170	1.3
289.05252	1.2
293.04407	0.8
294.05157	6.0
295.05994	2.6
297.03964	0.8
297.97336	1.3
298.98169	1.8
299.05576	1.2
300.06268	33.7
301.07016	3.7
303.01489	2.0
304.03748	3.2
306.05460	0.9
308.03247	1.0
309.03958	2.7
310.04764	2.2
311.05576	1.8
312.99786	4.5
314.97638	1.1
315.08484	0.6
320.03339	0.7
321.04016	1.5
322.04736	1.8
323.05463	2.3
324.06268	0.7
325.07071	2.2
332.03146	1.6
333.03986	1.1
334.04755	1.3
335.05557	0.8
337.03455	1.1
337.07147	2.5
338.04089	0.9
339.05020	0.7
347.05460	0.7
348.02432	0.8
349.03546	3.4
350.04337	1.9
351.04892	3.5
351.21509	1.5
353.06604	2.1
360.02759	1.6
362.04330	2.0
364.02216	0.9
365.06674	3.6
373.03412	1.5
375.04996	0.9
376.05716	0.8
377.02640	0.9
377.06659	1.9
378.03748	1.9
379.04413	6.5
388.02225	1.6
391.04187	0.9
393.06094	1.1
403.04703	1.8
404.05167	2.8
405.06299	1.7
406.03299	0.7
416.01630	5.2
417.02356	1.6
419.07596	5.0
421.05591	7.7
426.07419	0.8
430.03134	3.5
431.03943	18.8
432.04614	7.5
433.01660	6.8
434.02737	0.8
438.07904	0.7
439.07687	0.9
440.08740	0.7
445.05673	5.0
447.07089	36.3
448.07562	1.9
449.05264	1.9
469.09189	2.8
476.18488	1.1
479.07599	1.0
480.08185	1.1
482.06601	0.7
483.11017	1.0
496.07816	4.7
497.08740	5.1
499.10367	1.6
510.06024	2.0
511.10327	5.4
521.08960	1.0
524.07831	1.3
525.08093	14.2
526.08673	0.6
535.06860	3.0
536.07404	1.2
537.08044	0.9
539.09747	28.5
540.10236	1.6
543.09479	1.1
548.07208	1.0
549.08160	17.7
550.08417	1.2
551.06049	4.6
552.06866	2.2
553.07648	0.9
555.27850	7.3
566.08606	1.9
567.09198	40.8
568.09906	4.7
569.07092	1.8
571.10828	0.8
584.09760	2.1
599.11896	42.9
599.26807	15.1
600.12244	2.4
600.27277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56168	1.2
55.01858	1.5
68.99785	4.8
69.50031	3.3
69.50443	2.8
77.81353	1.2
79.05511	1.3
91.05481	1.6
95.01336	1.2
95.04950	3.8
97.11095	1.2
97.27281	1.3
98.23421	1.3
101.47549	1.1
103.05460	24.8
104.05775	6.1
105.03411	3.6
105.07018	11.4
110.33720	1.3
115.05463	3.1
118.04125	1.3
119.04940	1.4
119.08567	1.2
131.04918	51.0
131.05902	2.7
132.05246	13.7
133.05605	2.2
133.06456	9.0
138.44510	1.3
139.00226	6.7
141.28181	1.2
147.04424	1.9
151.03871	1.3
161.05966	13.5
162.99986	1.7
167.02226	1.8
168.02931	2.8
168.05667	1.4
169.01329	2.6
177.05383	1.9
178.01286	2.2
179.01842	1.2
179.05054	1.8
179.06950	1.8
181.06419	1.4
188.97978	11.2
191.07007	2.2
192.07831	4.4
193.08655	7.8
206.98987	6.5
207.06516	4.3
213.95470	1.4
217.05014	1.4
225.00038	3.6
231.03836	1.3
240.94249	5.6
241.04918	26.4
241.94609	2.0
242.05934	1.5
246.03967	1.9
247.04707	1.4
253.91446	1.8
257.94510	7.1
258.27612	1.5
258.95081	4.4
259.95752	3.1
267.06311	1.7
269.04437	43.4
270.05182	45.4
271.05887	10.0
286.03467	2.5
287.05606	2.0
293.04172	83.5
294.04572	3.7
311.05219	26.3
327.04749	3.0
328.05173	2.3
329.06284	100.0
330.06775	1.9
335.08694	1.7
362.94016	2.8
367.09875	1.8
389.92978	6.2
390.93353	7.5
401.08224	1.3
429.09256	1.6
461.12216	13.4
463.08102	1.5
493.09375	2.4
493.98950	3.1
494.99326	10.5
511.10672	16.6
513.00092	3.4
553.63800	1.4
567.14655	2.1
582.17328	1.5
599.05511	27.3
599.18378	19.9
601.11823	1.6
601.22394	1.4
603.14038	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01866	0.2
55.05507	0.4
60.37548	0.2
65.03942	0.6
67.01864	0.3
67.05504	0.4
68.99795	0.6
69.03426	0.8
70.06617	0.2
78.55267	0.2
79.05492	0.4
81.03415	2.0
85.02907	0.6
91.05483	0.2
93.03410	0.4
95.04964	0.6
96.04492	0.4
97.02885	0.9
97.04786	0.2
99.04476	0.3
103.05486	0.3
107.04955	3.1
108.02114	0.5
109.02856	0.8
111.00780	0.3
111.04441	0.7
121.02870	0.4
123.04484	0.2
125.05987	0.5
125.32732	0.2
127.03917	0.8
131.04936	0.8
135.04422	1.2
137.02351	5.6
137.03418	0.4
141.05495	0.4
151.03908	25.0
151.04977	1.6
152.04247	0.5
153.01823	26.9
154.02155	0.4
154.08627	0.2
155.03410	0.3
161.02371	0.3
168.00560	1.4
169.01247	0.3
169.04948	1.5
171.02946	0.9
171.04219	0.2
177.05530	0.5
179.03343	0.4
183.02890	1.4
186.01556	0.5
189.05513	0.2
203.03423	0.2
203.06978	0.2
207.02933	0.2
217.08574	0.7
218.08952	0.5
219.06558	0.2
229.08571	0.4
230.08919	0.3
241.04988	0.5
243.10159	0.2
244.10440	0.2
245.04398	0.5
258.05316	0.3
269.04510	0.2
281.06580	0.5
286.04715	3.3
287.05484	100.0
288.05783	2.6
295.08066	2.3
301.07062	16.7
302.07343	0.4
313.09262	0.9
313.17929	0.5
314.18246	0.9
315.18570	0.5
317.06421	0.3
329.10074	0.2
331.18762	0.3
332.19159	0.3
424.13815	0.3
437.16479	0.2
599.13330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1397
Annotation	Pterogynoside
Peak:m/z	Relative Intensity
51.81825	0.2
52.09625	0.1
53.03941	0.2
55.01877	0.3
56.53444	0.1
63.47795	0.1
63.94457	0.1
65.03928	1.7
67.05506	0.6
68.99805	0.2
69.03426	0.5
69.96503	0.4
75.51544	0.2
80.02615	0.2
81.03413	2.9
82.24873	0.1
85.02905	0.9
91.05473	6.3
93.03395	0.7
95.04951	0.6
97.02888	0.5
99.04481	0.3
105.04515	0.2
108.02087	0.9
109.02884	1.1
111.04436	1.2
113.02364	0.3
118.47681	0.1
119.04933	2.7
121.02875	1.0
121.03615	0.1
121.04017	0.1
123.00764	0.4
123.04429	0.3
125.05998	0.9
127.03894	0.3
136.01547	0.2
141.05453	1.4
151.03899	55.7
151.04980	4.3
152.04236	1.0
169.01314	29.9
169.04956	2.5
170.01633	0.4
217.04869	0.2
241.04875	0.3
245.04425	0.4
259.06168	0.4
268.41754	0.1
269.04355	0.2
287.05472	100.0
288.05817	2.9
295.08099	4.5
313.09100	1.3
449.10849	0.2
599.14124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
57.03436	0.2
65.03941	1.3
67.01856	0.5
67.05518	1.0
67.05829	0.2
68.99802	0.5
69.03426	0.7
70.06606	0.2
73.02919	0.2
79.05486	0.3
81.03418	2.6
81.07053	0.2
83.50272	0.2
84.08167	0.2
85.02894	1.0
87.06316	0.2
89.06000	0.2
91.05470	0.4
93.03377	0.9
93.07037	0.3
95.04964	0.7
95.16788	0.2
97.02887	1.0
99.04456	0.5
108.02087	1.0
109.02896	0.9
110.03632	0.2
111.04444	1.9
117.03397	0.2
121.02814	0.2
125.05991	1.6
127.01665	0.2
127.03916	0.8
135.04404	1.6
136.01527	0.2
137.02357	0.6
141.05484	0.9
145.05003	0.2
147.04361	0.3
151.03900	42.4
151.04990	3.5
152.04256	0.5
153.01817	4.6
153.03052	0.3
161.02328	0.5
163.07585	0.2
167.07054	0.3
169.04945	4.3
171.02931	0.4
213.05510	0.3
228.99377	0.2
241.04948	0.7
243.17020	0.2
269.04309	0.4
287.05472	100.0
288.05795	2.9
295.08127	3.3
297.18564	0.2
313.09283	0.9
315.19427	0.4
326.45700	0.2
329.06519	0.3
333.20590	0.2
423.09995	0.3
599.26013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90628	0.2
63.24440	0.2
65.03934	0.6
67.05495	0.3
69.03419	0.3
69.16492	0.7
69.16914	0.7
70.06569	0.2
72.68152	0.2
79.95558	0.2
81.03406	0.7
91.05480	0.4
95.01331	0.6
95.04951	0.3
97.02922	0.2
108.02119	0.2
109.02866	0.3
111.04428	0.3
119.04932	3.3
121.02852	0.9
123.00792	4.5
125.06003	0.3
132.11292	0.2
141.01817	0.6
141.05453	0.4
151.03903	13.3
151.04987	0.9
153.01843	0.8
164.48012	0.2
169.01337	2.3
169.04950	0.7
181.04941	0.3
197.12329	0.2
223.03813	0.2
232.95702	0.2
241.04903	1.0
245.04422	0.5
247.01408	0.2
269.04395	2.7
286.04672	0.3
287.05484	100.0
288.05792	3.1
295.08066	1.1
313.09360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1398
Annotation	Pterogynoside
Peak:m/z	Relative Intensity
50.90628	0.2
63.24440	0.2
65.03934	0.6
67.05495	0.3
69.03419	0.3
69.16492	0.7
69.16914	0.7
70.06569	0.2
72.68152	0.2
79.95558	0.2
81.03406	0.7
91.05480	0.4
95.01331	0.6
95.04951	0.3
97.02922	0.2
108.02119	0.2
109.02866	0.3
111.04428	0.3
119.04932	3.3
121.02852	0.9
123.00792	4.5
125.06003	0.3
132.11292	0.2
141.01817	0.6
141.05453	0.4
151.03903	13.3
151.04987	0.9
153.01843	0.8
164.48012	0.2
169.01337	2.3
169.04950	0.7
181.04941	0.3
197.12329	0.2
223.03813	0.2
232.95702	0.2
241.04903	1.0
245.04422	0.5
247.01408	0.2
269.04395	2.7
286.04672	0.3
287.05484	100.0
288.05792	3.1
295.08066	1.1
313.09360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77261	0.3
52.73424	0.4
65.03940	0.5
67.01859	0.7
67.05490	1.0
68.99775	0.4
69.03423	0.9
79.05461	0.6
81.03415	1.8
81.07057	0.9
85.02895	1.2
85.48660	0.3
87.04477	2.6
89.06012	0.9
91.05470	0.9
93.07017	1.0
95.04946	0.8
95.08632	0.4
97.02887	0.6
98.22670	0.6
105.07005	1.2
107.08575	1.0
109.02873	0.4
109.10192	0.5
109.29774	0.4
114.68460	0.4
119.04969	0.7
119.08564	1.1
121.02856	7.5
121.03759	0.5
127.03886	0.9
131.08528	0.9
133.08580	0.8
133.10114	0.5
135.04428	2.2
135.92236	0.5
137.02287	0.8
139.03867	0.5
145.10095	0.9
147.04352	0.6
148.78864	0.4
151.03896	13.0
151.05002	0.8
153.01811	6.2
157.10178	0.6
159.11688	0.8
161.02307	0.5
161.13206	0.5
167.07030	0.5
171.02826	0.6
171.11678	0.5
189.01820	0.4
201.16351	0.4
235.18156	0.4
241.04974	0.5
265.07013	0.5
269.04370	0.5
287.05463	100.0
288.05817	3.3
295.08060	1.3
307.25198	0.4
309.12164	0.7
311.10141	0.5
313.08942	0.6
337.11938	1.9
351.12234	0.5
351.21158	0.4
419.16428	0.5
436.18872	0.5
458.16724	0.5
476.17944	1.7
477.19382	0.4
478.19699	0.5
555.27545	1.6
598.36029	0.4
599.25769	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	599.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	3.9
68.99789	2.9
77.03915	1.5
79.05510	2.0
91.05491	2.3
91.96967	1.3
95.01319	1.6
95.04959	1.9
97.02883	1.9
98.23450	3.0
103.05463	25.7
104.05752	2.1
105.03388	2.3
105.07016	2.8
109.02894	1.6
115.05483	1.6
121.02885	2.0
123.00791	3.4
125.09585	1.5
131.04926	71.4
132.05234	4.5
147.04471	2.0
151.03918	1.4
163.00235	2.4
165.01816	1.5
166.01346	1.7
168.02953	2.3
169.01337	11.7
171.04376	1.5
175.00310	2.9
177.01796	4.1
178.01369	1.8
181.01297	9.5
185.00803	2.1
189.01738	3.2
190.99763	2.3
193.01315	3.4
193.06400	1.7
195.02829	1.6
205.06407	1.6
207.02908	2.8
209.00845	4.3
209.05923	2.1
214.41551	1.2
217.01265	5.4
218.99249	1.7
221.00693	2.5
229.01318	1.6
235.03993	2.3
235.93236	1.5
237.00360	2.0
244.98303	2.5
245.00807	35.6
246.98703	3.3
249.00305	24.0
261.00293	1.5
263.01868	4.5
267.06348	4.4
271.05872	1.7
273.00290	3.4
273.07578	13.2
277.05121	1.7
277.19833	1.3
278.05743	6.9
285.00003	1.5
287.98981	2.4
288.99762	2.8
295.05954	3.4
306.05109	12.1
307.05936	17.9
312.99692	3.6
313.06992	5.7
314.97610	7.3
315.00876	1.5
315.98584	2.0
316.99158	3.5
321.03833	12.8
327.08533	1.7
328.12451	1.5
329.06622	1.5
331.00519	1.7
332.98743	5.6
333.03854	5.8
334.04617	5.9
335.05460	4.0
340.99316	14.7
350.10428	2.4
351.10431	3.3
359.00424	14.4
359.04858	2.5
373.01855	1.3
375.04999	5.5
377.01492	12.5
384.12341	1.5
391.03339	1.6
403.04422	24.9
421.05359	9.0
445.05539	100.0
446.05823	4.0
447.08728	1.5
463.06638	15.5
465.10114	2.0
477.07983	5.5
481.07593	3.7
495.09277	9.0
507.10336	2.8
513.10156	3.1
525.12061	2.3
549.12079	7.3
554.17175	2.3
563.17767	2.2
567.13721	8.0
581.14783	1.8
599.09601	1.4
599.19226	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	599.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11329	0.5
55.01873	1.4
57.03416	0.8
69.03424	1.3
79.05503	1.5
85.02890	3.6
87.38600	0.7
91.05478	1.1
95.04957	2.5
97.02892	1.4
105.04489	0.9
107.04951	100.0
108.05305	1.3
109.02881	0.7
118.90475	0.6
119.04925	1.0
121.02855	2.0
127.03905	0.7
129.06981	1.0
131.04924	1.7
131.08598	1.0
135.04428	1.0
139.03781	0.7
147.04407	2.0
149.06012	1.0
151.03897	1.1
157.06573	0.6
159.04391	0.6
159.08084	1.7
161.05902	0.9
161.68857	0.6
163.03894	2.0
171.04376	0.8
171.07663	1.0
175.03920	3.6
176.69800	0.6
177.05516	1.9
181.04991	1.6
185.06088	0.9
187.03938	2.6
187.07582	1.3
189.05421	2.2
191.03304	1.2
193.04919	3.4
197.20720	0.7
201.05428	1.4
203.07051	0.7
205.05032	4.9
207.06493	1.5
213.05417	1.4
217.04982	5.3
219.06551	1.9
221.04500	1.7
223.05914	2.2
227.07162	1.0
229.04947	2.0
231.06503	2.3
235.05998	3.0
241.05014	1.0
243.06604	1.7
247.05923	5.2
249.11208	10.5
253.04985	1.0
255.06406	1.1
259.06021	7.1
267.06485	0.9
269.07904	0.6
271.05975	3.2
273.07544	0.9
277.07037	2.0
283.05954	2.1
285.07562	1.2
287.09061	0.8
289.07031	2.5
297.07523	1.5
299.05820	0.9
299.09015	1.2
301.07050	3.9
311.09229	1.0
313.06995	2.0
317.10281	0.9
323.09091	0.8
325.07013	2.2
329.10159	3.7
337.07150	0.9
341.10306	3.9
343.08020	0.8
351.60724	0.6
353.10138	6.2
355.07980	0.9
361.09027	0.7
365.10098	5.4
377.10071	2.0
383.11273	6.1
389.10068	1.1
393.09677	0.9
395.11377	8.5
407.11322	9.2
413.12018	2.3
419.11172	5.5
425.12274	3.4
431.13449	9.2
434.18134	0.8
443.13034	2.4
449.12274	6.0
461.12372	3.8
467.13379	3.8
473.12592	1.0
479.13394	3.4
485.14212	2.1
491.13147	2.1
497.14389	6.0
509.14111	2.1
527.14978	1.1
545.16095	1.1
563.22668	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	599.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.0
56.03418	1.4
58.39073	1.3
65.03944	1.9
67.05511	1.3
67.59894	1.6
68.99787	3.2
77.03920	2.1
79.05493	1.5
81.03407	1.6
84.04489	2.5
91.05460	6.3
95.04961	4.0
102.04718	1.5
103.05459	31.7
105.03381	9.8
107.04956	2.5
109.02862	4.2
110.02383	6.1
110.05997	2.3
112.03958	1.5
115.05418	5.3
117.07001	1.8
121.02835	2.0
129.07008	3.6
131.04919	100.0
132.05286	2.9
133.02831	18.2
134.06012	3.5
135.04395	3.5
136.03905	2.6
137.02312	10.7
138.01860	4.8
138.05467	1.5
140.03424	5.4
150.05516	1.9
151.03894	7.1
153.01781	1.8
157.06436	1.8
159.04326	2.0
160.03883	2.5
161.02336	11.3
162.05496	3.3
164.03438	3.6
165.06969	3.5
166.01370	4.9
167.02171	7.6
167.08542	2.7
168.02907	22.8
173.05981	1.8
176.03401	1.9
178.01344	14.6
178.05020	5.3
178.07852	1.9
179.01913	2.8
179.03386	29.4
179.08414	1.8
180.02921	2.2
181.06482	3.9
185.03140	4.0
185.05951	2.7
188.03380	3.4
189.01817	43.1
190.05099	2.3
190.07635	1.9
191.08586	7.0
192.02905	2.5
192.08803	3.5
194.04465	2.5
195.07964	2.0
196.02467	2.3
199.03842	2.3
202.07555	1.9
206.04478	10.6
207.02882	8.1
208.02373	1.6
209.09544	1.8
212.07231	3.1
214.04927	2.1
214.22289	1.5
218.04417	3.8
219.07967	10.8
220.02383	5.7
220.08411	8.9
221.08658	3.4
221.41255	1.5
223.07463	10.2
224.05557	4.3
225.05525	3.0
227.07027	2.7
237.09097	13.2
238.08528	6.9
239.10655	2.6
240.10201	4.7
241.04953	4.8
242.08052	1.5
244.02371	4.0
246.03900	2.4
247.07506	2.6
250.08655	2.3
251.06952	7.7
258.03940	3.9
263.07077	4.5
264.07321	6.6
264.10159	4.7
265.08597	22.4
267.10178	3.6
268.09760	2.1
270.07529	4.5
271.08307	4.7
272.06256	1.8
272.09167	16.4
280.06018	4.6
282.04312	2.4
282.07550	16.1
282.11169	5.4
282.26114	1.9
286.03433	4.7
290.02917	1.7
291.06519	6.3
292.06757	4.7
292.09674	26.4
293.08051	68.2
294.08151	2.7
296.09149	2.4
300.05051	3.8
308.09335	2.9
309.09521	4.1
310.03317	2.9
310.10699	44.0
311.08914	7.0
324.08951	2.2
328.04465	3.2
328.11765	5.5
348.08682	3.6
350.10226	2.3
355.05530	2.6
362.10495	2.8
372.08292	1.9
376.11951	2.4
384.12296	6.1
390.09650	4.8
393.10568	2.3
394.08902	2.1
400.07895	2.0
404.11157	5.5
407.12192	2.1
414.09732	1.8
426.13968	1.7
431.12210	4.1
432.10687	6.1
442.08829	2.0
449.13293	2.1
459.11835	9.2
460.10361	3.8
477.12927	15.9
480.14249	3.2
494.15710	6.7
536.17047	16.0
546.15063	5.0
555.16718	1.7
563.18323	11.5
564.16547	8.2
581.18964	9.1
582.17578	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21542	1.0
55.05503	2.7
57.07074	1.4
59.04992	1.4
65.03945	1.2
67.05503	4.2
69.03429	3.4
69.07056	2.9
69.61617	4.1
72.44410	1.0
79.05485	5.0
81.07030	5.9
83.04983	3.8
83.08615	1.3
85.06530	1.9
87.04478	1.6
91.05476	6.6
93.07042	8.8
95.04964	3.5
95.08620	4.2
97.06522	2.7
103.05418	1.4
105.07038	13.4
107.08569	8.4
109.06511	2.9
109.10142	2.2
117.07024	2.3
119.08576	10.8
121.06519	3.0
121.10146	10.4
123.08080	3.3
125.09683	1.6
128.06261	2.0
129.07021	3.6
131.08571	6.5
133.10172	7.0
133.11012	1.0
135.08026	2.9
135.11688	1.5
137.09656	3.7
142.07794	4.0
143.08563	7.4
144.09358	2.0
145.10139	8.1
147.08076	3.8
147.11649	1.7
149.09627	4.8
151.07550	3.9
155.08583	4.4
156.09373	3.4
157.10143	8.7
159.08046	3.0
159.11731	5.0
161.09656	3.0
161.13290	1.5
163.11156	2.3
165.06990	1.5
165.09122	7.0
167.08618	1.6
167.10683	4.4
168.09235	1.4
169.10150	4.8
171.11713	5.8
173.09567	2.4
173.13298	3.2
179.08661	1.2
181.10190	2.2
181.12314	1.8
182.10956	2.2
183.11763	3.2
185.09529	1.4
185.13297	2.3
187.11157	1.6
187.14827	1.6
189.12761	2.0
193.10095	2.7
194.11070	1.2
195.11726	3.4
197.13271	3.8
199.14897	1.7
201.12782	1.1
203.14363	2.6
207.11781	2.7
207.13834	2.7
209.13274	4.1
209.15306	1.4
211.14848	1.6
215.14337	1.7
221.13268	2.4
221.15417	11.9
223.14828	2.5
233.13255	1.8
233.15286	7.8
235.14865	1.8
245.13213	1.8
281.19095	2.2
299.20236	1.7
311.19922	1.2
441.29858	1.3
493.33557	1.4
507.34644	19.7
581.39252	1.6
599.21533	100.0
599.40839	22.4
600.21863	7.6
608.39014	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	599.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.6
69.10174	11.6
79.05514	2.3
81.03425	2.6
81.07059	3.0
82.09161	1.9
87.04459	3.2
89.06018	3.5
91.05469	4.8
93.46154	2.0
95.08598	2.1
105.07036	6.2
107.08578	1.9
119.08627	2.0
121.02881	1.9
121.10143	1.8
131.08589	2.4
133.08606	3.3
147.04370	2.1
201.58275	1.5
220.99344	1.9
267.15921	2.0
283.15195	15.3
288.31757	1.9
299.05405	2.1
339.17798	9.8
599.33960	100.0
600.34216	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	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05506	4.9
57.07071	6.3
59.05003	2.4
67.05496	9.1
69.03415	6.0
69.07061	3.2
69.13177	1.2
69.13552	7.0
78.03458	2.1
79.05486	9.3
81.07047	11.1
83.04972	3.2
85.06538	2.4
87.04474	1.3
89.05981	1.6
91.05474	13.8
93.07030	17.3
93.84584	1.0
95.04957	6.3
95.08598	12.7
97.06531	3.1
102.33105	1.0
103.05467	1.4
105.03405	1.1
105.04462	1.9
105.07022	24.6
105.64069	1.0
106.02922	4.1
106.07388	1.5
107.03300	1.1
107.04956	1.4
107.08595	10.1
109.06497	5.6
109.10135	6.3
109.39510	1.1
111.04456	2.5
111.08109	1.8
113.70775	0.9
115.07562	3.4
117.06993	5.6
118.45488	0.9
119.08567	23.9
121.06510	3.8
121.10145	13.4
123.08071	10.6
123.11749	1.6
124.03947	19.9
124.04774	1.9
125.04276	4.1
125.05997	2.3
128.06236	2.2
129.06995	3.6
130.07776	2.3
131.08566	10.3
133.06546	2.7
133.10106	10.9
135.08049	8.2
135.11699	4.0
137.09604	10.9
139.07535	1.7
141.07024	1.7
142.07761	5.1
143.08568	9.6
144.09322	1.5
145.10100	15.6
146.02113	1.2
147.04378	1.7
147.08047	18.6
147.11690	4.5
149.09634	3.2
151.07552	9.4
155.08600	4.1
156.09302	5.3
157.10115	14.0
159.08060	2.7
159.11674	9.4
160.12215	0.9
161.09598	6.2
161.13277	5.3
163.11211	7.0
165.09103	39.8
167.08601	3.2
168.09349	2.3
169.10120	6.2
170.10898	2.8
171.11665	8.5
173.09647	3.8
173.13179	5.5
175.11189	2.7
175.14803	3.2
177.09087	2.3
179.08606	1.7
180.09331	2.0
181.10139	2.9
181.12201	5.3
182.10869	2.4
183.11653	9.9
185.09668	1.5
185.13232	7.1
187.11198	2.7
187.14867	2.4
189.12787	3.3
191.10667	2.9
193.10161	2.3
193.12218	1.0
195.11676	4.5
195.13487	1.1
196.12366	1.6
197.13203	5.6
199.11079	1.6
201.12724	1.6
203.14287	14.2
204.08879	1.0
206.10585	1.1
207.11694	2.9
207.13824	4.3
209.13226	4.0
211.11249	1.7
211.14853	4.4
213.12703	2.8
221.13373	2.8
221.15344	82.7
222.15755	1.6
223.11252	1.1
223.14856	2.8
225.12755	2.0
225.16463	1.6
227.14256	2.2
229.12306	2.2
229.15875	1.5
231.11803	1.5
231.13821	1.2
233.13216	1.8
233.15424	2.2
237.16487	1.0
245.13364	1.3
247.14584	2.0
247.16881	14.6
255.13704	1.4
257.15701	1.2
269.19196	1.1
281.19138	1.7
286.19211	1.5
287.05786	1.1
287.20190	6.4
298.18854	2.4
299.20010	4.1
301.21722	1.6
309.18460	1.2
311.20044	1.1
313.21619	1.9
316.19815	1.5
327.23151	1.4
365.24677	3.5
391.26184	6.9
413.26868	1.7
419.29608	1.5
427.28534	4.3
439.23062	1.6
476.20569	1.0
477.20905	1.9
507.34842	5.9
519.34839	2.4
581.29132	2.7
581.40051	2.2
599.11633	13.8
599.24316	100.0
599.40228	41.0
600.11884	2.9
600.24652	8.2
600.41107	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	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99891	1.0
53.03941	2.2
55.01857	2.8
55.05511	11.4
57.07073	8.3
59.04986	5.5
59.44692	1.4
63.10842	1.2
65.03931	3.1
66.46900	1.0
67.05499	17.8
69.03419	14.7
69.07071	8.9
69.70827	2.7
69.71180	2.3
71.04973	1.6
77.65987	1.0
79.05488	19.5
80.05005	3.8
80.57751	1.0
81.03439	1.9
81.07050	24.2
83.04977	11.4
83.08617	7.2
85.06541	6.9
87.04480	2.1
89.06025	1.3
90.21072	1.0
91.05011	0.8
91.05476	34.6
93.07039	35.2
93.07609	2.5
95.04963	18.9
95.08600	19.2
96.04458	2.5
97.06535	7.0
103.05483	3.8
105.04557	3.2
105.07027	49.5
105.07738	2.7
106.02968	1.7
107.04942	1.8
107.08586	39.8
109.06512	14.5
109.10143	12.9
111.08052	3.2
113.09620	1.8
115.05459	4.3
116.06192	2.5
117.07023	13.7
119.04918	1.6
119.06086	1.5
119.08575	43.9
121.06515	11.9
121.10137	37.0
121.10981	2.1
123.08077	14.6
123.11678	4.8
124.03943	87.5
125.05981	3.2
125.09624	9.4
127.01553	2.9
128.06201	6.3
129.06998	13.4
130.07796	4.2
131.08559	26.0
131.09457	2.0
133.06512	5.9
133.10117	27.6
135.08040	17.2
135.11688	9.0
137.05994	2.1
137.09601	11.9
139.07533	2.3
139.11278	2.3
141.06935	6.0
142.07756	13.8
143.08553	28.4
144.09357	9.5
145.06494	2.3
145.10112	35.8
147.04416	3.3
147.08054	18.2
147.11699	11.4
149.09599	19.5
151.07503	16.7
151.11147	2.3
153.07005	3.8
153.09157	1.4
154.07744	2.4
155.08574	11.1
155.10600	1.5
156.09334	14.0
157.10123	35.8
157.11400	2.4
158.10892	4.0
159.08025	13.0
159.11682	20.3
160.08954	1.3
161.09596	10.0
161.13304	5.3
163.11171	11.3
165.07024	4.3
165.09093	27.0
166.07878	1.7
167.08553	7.2
167.10655	20.9
167.11977	1.6
168.09325	6.4
169.10118	22.5
170.10930	7.3
171.08066	2.1
171.11688	22.5
172.08810	1.9
172.12418	2.4
173.09573	5.7
173.13274	12.3
175.11235	8.4
175.14857	3.0
177.09067	2.9
177.12720	3.2
179.08601	7.0
179.10248	1.2
180.09358	3.0
181.10129	11.8
181.12155	8.6
182.10965	6.6
183.08058	2.1
183.11661	21.1
184.12442	3.2
185.09602	5.7
185.13226	9.9
187.11201	7.4
187.14796	5.0
189.12733	11.4
191.10706	3.1
191.14319	3.4
192.09332	2.8
193.10149	9.0
193.12082	2.7
194.10924	6.6
195.11714	13.1
195.13646	2.4
196.12456	5.6
197.09593	2.5
197.13213	16.1
198.10378	1.7
198.14061	1.6
199.11081	6.0
199.14851	5.4
201.12717	3.6
201.16273	1.3
203.14316	11.2
205.10211	3.0
206.10909	5.0
207.11710	12.8
207.13840	13.1
208.12453	3.4
208.14349	1.6
209.09645	2.0
209.13271	13.8
209.15375	4.7
210.14032	2.8
211.11235	4.6
211.14836	7.6
213.12794	5.2
213.16432	2.5
215.14359	5.0
217.12376	1.4
217.15846	1.9
218.11037	1.6
219.11752	3.8
219.13797	1.8
220.12486	2.8
221.13271	8.9
221.15315	47.4
222.14018	2.0
223.14850	8.9
225.12781	5.5
225.16261	5.9
227.14346	3.0
229.12189	2.5
229.15820	1.5
231.11690	4.0
232.12529	3.8
233.13237	3.7
233.15332	36.6
234.13835	1.4
235.14946	6.6
235.16956	1.5
237.12770	1.8
237.14679	3.5
237.16731	2.9
239.14320	1.6
241.15904	2.7
244.12463	1.8
245.13205	3.3
247.14825	4.0
247.16945	2.9
248.15446	2.0
249.16406	4.5
251.14246	1.4
251.17995	3.1
253.15958	1.6
255.17499	2.3
257.13141	2.2
259.14835	3.3
260.15646	1.4
261.16434	3.8
263.18024	3.9
269.19040	2.7
271.14624	1.7
272.15457	1.8
273.16171	2.2
273.18768	1.8
274.19357	1.9
275.17929	2.9
281.18982	10.8
286.19461	4.0
287.20203	4.0
289.19315	1.9
295.20535	2.8
299.20016	4.0
307.20599	1.8
312.20898	2.1
317.18857	1.6
329.22556	1.4
347.23685	1.9
349.21497	2.1
351.23120	1.8
364.24011	3.9
365.24911	2.6
369.25455	1.2
373.25089	3.9
377.24701	2.9
391.26486	4.8
436.45465	1.3
441.29996	4.2
471.32925	1.8
489.33640	5.0
493.33234	2.7
507.34689	77.6
508.35117	2.9
563.38885	2.1
566.54517	1.6
581.39893	5.5
599.24438	6.8
599.40900	100.0
600.18256	1.2
600.27698	5.0
600.41254	2.5
626.84613	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	600.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52887	2.5
65.03930	4.9
65.21749	2.4
67.05461	2.5
79.05473	3.7
81.07052	5.3
91.05476	5.5
93.03368	5.2
95.04964	3.9
95.08643	4.7
97.02889	3.6
103.05467	45.3
105.07008	5.1
113.72112	2.1
118.71629	2.8
121.02854	24.2
131.04921	100.0
132.05234	2.6
138.01863	4.6
140.03354	2.6
152.03424	5.8
157.01392	2.9
165.04236	3.1
166.01434	4.8
167.02130	6.7
168.02927	14.2
173.06232	2.7
176.03368	3.4
178.01367	5.9
179.03406	7.4
194.00815	6.5
194.04486	15.3
198.03998	6.9
203.14397	2.5
207.07996	3.0
208.02315	3.8
211.82870	2.7
221.15326	6.5
232.02318	2.8
246.03989	4.5
251.06927	5.7
270.07706	2.4
271.08368	3.0
272.09137	7.0
282.07547	5.8
297.10141	2.7
298.07138	5.9
298.10620	6.5
298.63205	2.6
311.09183	4.9
314.02942	3.0
329.10165	4.0
364.02206	3.1
394.09088	17.8
412.10138	3.6
436.10150	14.2
449.07092	2.8
468.08362	4.1
478.11292	17.2
496.12958	11.5
522.15210	5.9
540.16370	10.2
550.14789	16.9
564.16449	5.7
582.17548	15.6
599.40613	3.4
600.19080	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	600.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15074	1.1
55.67515	1.2
56.21534	1.4
59.35815	1.2
65.03939	1.8
67.05473	1.4
68.99784	1.5
69.03403	2.8
70.06595	6.5
71.42361	1.6
72.03359	1.4
74.69294	1.3
79.05506	3.2
81.03404	2.2
81.07022	1.5
85.02901	3.8
91.05449	2.3
93.03342	1.5
95.04980	2.0
96.04506	2.0
97.02884	100.0
97.06522	1.7
98.03209	1.6
103.05466	5.4
105.07046	1.8
107.04932	3.6
109.02903	1.9
111.04443	1.5
111.91024	1.2
112.04000	2.0
119.05024	1.2
121.06513	2.3
123.04430	2.1
125.05978	2.2
131.04900	13.5
132.05247	2.1
133.06496	1.7
143.08595	1.5
146.91090	1.1
151.03883	13.1
152.04222	3.5
153.01790	5.9
154.02206	1.6
161.06067	2.3
165.05495	1.7
169.01302	1.4
180.04172	1.5
181.03606	1.2
181.04947	34.2
193.04927	1.6
195.02861	3.1
207.02887	2.1
208.06055	2.2
209.03134	2.4
209.06819	1.8
211.05998	41.2
221.08055	3.7
231.67181	1.3
233.08095	3.0
236.05594	2.4
237.06221	2.2
240.94368	1.7
249.07578	4.9
270.08759	1.4
277.07050	19.0
282.88208	1.3
287.05475	20.4
288.05786	20.0
295.08130	5.7
299.20026	3.3
301.07159	2.4
302.07419	3.5
312.09796	3.6
313.09299	4.8
340.11765	3.0
341.12512	4.6
366.13300	2.2
424.13788	5.1
556.19812	1.9
600.06042	4.3
600.18097	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	600.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01876	0.4
55.30312	0.2
65.03938	1.9
66.04259	0.2
67.05499	0.9
69.03419	1.6
69.34577	1.2
71.04987	0.3
77.67804	0.2
81.03413	4.9
85.02902	1.9
91.05454	0.5
93.03403	2.7
95.04969	0.6
97.02884	2.0
99.04461	0.5
103.05443	0.5
105.04508	0.3
107.04923	0.4
108.02051	1.1
109.02870	2.1
111.04441	2.9
123.04426	0.3
125.05988	3.5
127.03902	1.0
131.04950	2.1
132.14590	0.2
136.01616	0.3
141.05460	1.3
145.04929	0.6
151.03900	100.0
151.04959	6.3
152.04236	2.0
169.04959	15.3
184.08708	0.2
196.16902	0.2
241.08548	0.6
249.98384	0.2
295.08102	7.2
296.08444	0.3
313.09161	13.7
314.09491	0.5
461.62082	0.2
540.31763	0.2
623.36151	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	600.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53141	0.5
65.83233	0.5
67.05532	0.7
69.03420	0.9
69.48899	2.0
70.06590	1.3
79.05495	0.9
80.36437	0.5
80.61409	0.5
85.12280	0.5
86.09724	1.0
87.04465	1.4
91.05471	0.8
97.02887	100.0
98.03233	1.2
98.22708	1.0
107.04969	1.3
108.02126	0.6
111.04449	0.7
121.39865	0.5
131.08554	0.9
135.04433	0.6
137.05959	0.7
151.03900	27.6
151.04979	1.8
153.03134	0.5
159.08060	1.3
159.80977	0.5
161.06007	0.9
163.03905	2.3
167.07021	5.1
181.04948	8.4
187.07498	1.9
191.07033	1.0
204.07864	1.6
219.06541	1.8
219.10184	1.9
231.10071	1.3
241.06952	0.6
247.05995	20.5
249.11214	2.2
265.07053	19.0
283.08087	4.8
338.38446	0.6
353.13901	1.0
385.16483	1.6
473.74136	0.6
484.06543	0.6
599.42590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54348	0.4
59.08736	0.5
69.03424	0.9
69.05099	1.7
69.05527	1.7
69.06054	0.5
74.13073	0.5
78.04691	0.5
85.02888	2.2
91.05457	1.6
97.02890	0.9
98.06026	0.5
98.23425	1.0
99.92711	0.4
105.07032	0.7
107.04964	2.8
107.05577	0.5
108.05248	0.9
115.05438	1.0
117.07008	0.8
120.55463	0.5
128.06242	1.7
129.06998	4.7
131.04974	0.6
131.08557	6.6
133.06464	1.1
133.10078	0.7
137.05930	0.5
141.06961	1.6
143.08530	0.9
144.05650	2.9
145.06461	1.6
146.07280	0.9
147.04375	1.0
153.06938	0.6
157.06483	2.5
158.07220	0.6
159.08051	11.0
161.05908	0.8
161.09601	2.9
162.07562	0.8
167.07014	2.5
169.07619	1.0
170.07275	2.3
171.08012	1.6
172.05124	1.3
173.06070	0.8
174.06769	0.6
175.03923	0.7
175.07524	1.3
177.05499	0.7
180.08627	0.9
187.07553	7.6
188.08107	0.6
189.05513	1.2
189.09103	3.8
190.06212	0.7
191.67241	0.5
198.06654	0.7
199.07408	0.7
203.06929	1.0
204.07838	5.1
205.08536	1.1
207.06450	1.1
216.07845	1.1
218.09323	0.7
219.10187	1.6
221.11688	1.3
231.10089	2.8
249.11203	100.0
250.11523	2.7
267.12247	1.2
302.88486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97289	0.3
58.10194	0.4
61.69985	0.3
63.14294	0.3
66.91845	0.3
69.03417	0.9
70.06577	1.3
70.56557	0.3
70.79435	0.4
72.08119	0.4
81.03394	1.1
84.08086	0.4
85.02890	1.5
86.09687	0.6
89.24021	0.3
91.05469	1.2
95.04924	0.4
97.02885	1.0
100.07611	0.4
100.11240	0.6
103.05451	0.5
105.07035	0.5
107.04956	0.6
109.45469	0.3
115.05464	0.7
117.07001	0.4
121.02831	0.4
121.06472	0.6
122.05949	0.3
128.06219	1.2
129.07004	4.4
131.04886	1.1
131.08574	4.5
133.06458	0.6
133.10107	0.4
136.05232	0.5
136.06190	6.1
137.02338	1.0
141.06964	1.4
142.07806	0.5
143.08543	1.2
144.05690	1.8
145.04971	0.6
145.06450	1.8
146.07231	0.9
147.04382	0.5
153.06979	0.8
156.05682	0.5
157.06448	2.1
158.07332	0.4
159.08051	9.5
161.05959	0.7
161.09610	2.8
163.03795	0.4
163.07588	0.8
167.07027	1.7
169.06348	0.5
169.07600	1.0
170.07254	1.3
171.08060	1.9
172.05197	1.0
173.05959	1.2
174.06775	0.6
175.07509	1.0
178.06221	0.4
180.08685	0.5
187.07545	8.0
188.08182	0.4
189.09137	3.6
190.06209	0.5
191.07013	0.4
199.07507	0.8
203.07027	1.3
204.07802	4.4
205.08565	1.0
206.09357	0.8
216.07782	1.6
217.08513	0.7
219.10167	2.1
221.08072	0.8
221.11728	1.3
223.05991	1.3
231.10124	2.7
234.08864	0.4
237.11221	0.9
249.11205	100.0
250.11581	3.2
267.12186	1.3
439.09985	0.5
533.34747	0.4
599.43671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54348	0.4
59.08736	0.5
69.03424	0.9
69.05099	1.7
69.05527	1.7
69.06054	0.5
74.13073	0.5
78.04691	0.5
85.02888	2.2
91.05457	1.6
97.02890	0.9
98.06026	0.5
98.23425	1.0
99.92711	0.4
105.07032	0.7
107.04964	2.8
107.05577	0.5
108.05248	0.9
115.05438	1.0
117.07008	0.8
120.55463	0.5
128.06242	1.7
129.06998	4.7
131.04974	0.6
131.08557	6.6
133.06464	1.1
133.10078	0.7
137.05930	0.5
141.06961	1.6
143.08530	0.9
144.05650	2.9
145.06461	1.6
146.07280	0.9
147.04375	1.0
153.06938	0.6
157.06483	2.5
158.07220	0.6
159.08051	11.0
161.05908	0.8
161.09601	2.9
162.07562	0.8
167.07014	2.5
169.07619	1.0
170.07275	2.3
171.08012	1.6
172.05124	1.3
173.06070	0.8
174.06769	0.6
175.03923	0.7
175.07524	1.3
177.05499	0.7
180.08627	0.9
187.07553	7.6
188.08107	0.6
189.05513	1.2
189.09103	3.8
190.06212	0.7
191.67241	0.5
198.06654	0.7
199.07408	0.7
203.06929	1.0
204.07838	5.1
205.08536	1.1
207.06450	1.1
216.07845	1.1
218.09323	0.7
219.10187	1.6
221.11688	1.3
231.10089	2.8
249.11203	100.0
250.11523	2.7
267.12247	1.2
302.88486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01561	0.1
53.03933	0.3
63.62782	0.2
67.05492	0.3
69.03400	0.3
69.07076	0.2
69.93244	0.3
78.03438	1.0
79.05480	0.5
80.04546	0.2
80.05015	4.4
81.07042	0.4
83.04975	0.2
91.05472	0.6
93.07029	0.6
95.04965	0.2
95.08595	0.4
96.04491	3.6
98.23438	0.2
105.07017	1.1
106.02917	0.7
107.08581	0.8
109.06517	0.3
109.10083	0.2
110.93748	0.1
119.08564	0.9
121.06497	0.2
121.10172	0.7
123.08068	0.4
124.03945	100.0
125.04314	0.8
128.06264	0.1
129.07054	0.3
131.08557	0.4
133.10173	0.9
135.08032	0.5
135.11731	0.2
140.03392	0.2
142.07759	0.4
143.08537	0.5
145.10124	0.9
145.86452	0.1
147.08035	0.2
147.11711	0.4
149.09604	0.3
151.07512	0.2
156.09213	0.2
157.10143	0.7
158.10802	0.2
159.08051	0.3
159.11705	0.7
161.09613	0.5
161.13167	0.2
165.09108	0.5
167.10751	0.2
169.10114	0.4
170.10750	0.2
171.11740	0.6
172.12508	0.2
173.09698	0.2
173.13264	0.6
174.14055	0.2
175.11230	0.3
175.14813	0.2
177.12839	0.2
183.11667	0.5
183.52762	0.2
185.13260	0.5
187.14810	1.6
187.47430	0.2
188.15565	0.3
189.12698	0.2
193.10146	0.2
194.10962	0.2
195.11641	0.3
197.13312	0.3
198.14072	0.3
199.11264	0.2
199.14786	0.4
201.12825	0.3
203.14313	0.6
205.15872	0.2
209.13214	0.2
215.14214	0.2
216.15018	0.4
217.15782	0.2
219.11853	0.2
221.13382	0.2
221.15408	0.7
222.15906	0.2
233.15398	0.4
234.15758	0.3
237.16516	0.2
241.15904	0.2
255.17178	0.2
265.15958	0.3
281.19128	0.2
283.16901	0.4
287.16452	0.3
301.18076	0.3
311.16373	1.1
329.17480	3.0
338.58020	0.2
347.18668	0.2
364.02277	0.1
452.20694	0.7
470.21579	0.2
507.34711	0.5
508.34781	0.7
512.22858	1.3
522.24744	0.2
540.25903	0.2
599.40649	0.5
600.27899	5.9
600.41077	0.7
601.27954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55333	0.2
51.48827	0.2
52.67498	0.2
63.55365	0.2
67.05497	0.5
69.81703	0.8
71.04988	0.3
78.03452	1.0
80.05012	3.6
81.07058	0.5
91.05446	0.2
93.07068	0.2
93.10772	0.2
95.08598	0.2
96.04488	2.8
97.02899	0.3
105.07028	0.3
106.02891	1.1
107.08556	0.3
119.08601	0.3
123.65323	0.2
124.03940	100.0
125.04269	1.0
135.08006	0.7
137.05949	0.8
140.03450	0.2
143.08559	0.3
145.10075	0.2
155.07098	0.2
157.10074	0.5
169.10121	0.4
171.11661	0.6
173.13293	0.2
185.13239	0.3
195.11630	0.3
199.02461	0.2
201.12723	0.7
209.13307	0.4
213.12671	0.4
223.14778	0.6
251.14307	0.3
251.28210	0.2
263.09125	0.3
265.16046	0.2
269.15326	0.2
288.05698	0.2
293.15433	0.2
311.16269	1.1
329.17477	0.8
347.18481	0.4
470.21606	0.4
512.22540	0.2
522.52710	0.2
530.23895	0.5
582.27295	0.3
600.25635	0.5
600.40271	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	600.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.7
51.02374	2.7
53.90323	0.6
55.01851	0.9
55.05502	1.2
57.07092	0.7
60.77302	0.6
67.05506	3.8
69.03424	2.0
69.07075	1.8
69.18342	3.4
71.04996	2.0
73.02939	0.7
74.11009	0.5
76.87354	0.5
78.03454	26.3
79.05499	1.9
80.05025	2.4
81.07043	4.0
83.04975	1.7
83.08618	0.6
84.97556	0.5
87.04466	8.0
89.06048	2.5
91.05473	4.2
93.07059	4.7
95.04978	1.7
95.08614	1.9
96.04485	8.4
97.02924	1.4
97.06506	1.3
97.85481	0.6
105.07040	6.5
106.02913	61.8
106.07383	0.8
107.08590	3.3
109.06522	2.0
109.10143	1.1
111.04453	1.7
117.07051	2.2
119.04926	0.6
119.08590	7.3
120.08975	0.6
121.06497	1.9
121.10160	3.6
123.08086	1.0
124.03949	65.3
125.04322	0.7
127.01603	0.9
128.06265	0.9
129.07042	1.7
131.08572	3.3
133.06490	1.3
133.08632	1.3
133.10129	3.5
135.08084	2.5
141.06935	0.8
142.07777	1.9
143.08559	4.5
144.09329	0.6
145.10103	4.0
147.08047	2.8
147.11699	1.9
149.09648	2.4
151.02591	0.5
151.07617	0.7
155.07188	0.8
155.08600	2.0
156.09297	3.1
157.10135	5.2
159.08093	1.7
159.11699	2.5
161.09644	2.0
161.13326	0.8
163.11217	0.6
165.06989	0.7
165.09108	1.0
167.08559	1.1
167.10733	1.8
169.10149	1.9
170.10934	2.4
171.11693	9.6
173.09656	1.8
173.13272	1.7
174.10402	0.9
175.11256	2.8
179.08578	1.5
181.10085	2.9
183.11728	2.8
184.12509	0.7
185.09680	1.2
185.13254	3.2
187.11220	1.9
189.12834	1.3
192.09389	0.7
193.10170	2.9
194.10884	1.7
195.11708	2.1
197.13289	1.8
199.11250	1.8
199.14815	1.6
200.12041	1.3
201.12755	0.8
206.11052	0.8
207.11780	1.7
208.12563	1.6
209.13167	4.4
211.11169	0.8
211.14789	1.0
213.12810	1.9
213.16429	1.2
217.12224	0.9
221.13348	1.2
222.13992	0.8
223.11269	1.1
223.14798	4.9
225.12831	0.7
227.10660	0.7
227.14304	1.3
233.15393	1.1
237.12619	0.6
237.16345	1.0
239.14680	0.9
241.15865	1.1
251.14383	1.9
265.16006	1.3
269.15427	1.8
283.17081	1.1
287.16513	1.2
293.15448	0.7
301.17999	0.8
303.16101	0.8
311.16431	1.4
329.17572	2.7
421.09491	0.7
433.86050	0.7
452.20810	1.5
470.21918	2.4
512.22723	2.9
540.25751	1.7
558.27234	1.1
559.24750	0.9
599.40668	1.0
600.28027	100.0
601.28485	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	600.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.7
57.03417	0.7
57.07063	0.9
59.04994	1.4
65.03938	1.1
67.05501	5.6
69.03436	2.3
69.07063	5.3
69.91146	2.1
74.23914	0.7
79.05478	5.0
81.03418	1.7
81.07052	9.1
82.88235	0.7
83.04971	2.1
83.08605	2.1
84.86660	0.6
85.02892	2.6
91.05482	9.9
93.07040	6.6
95.04964	2.9
95.08021	1.1
95.08602	14.3
97.02897	2.8
97.06513	1.4
97.10110	1.1
98.23383	1.1
105.01863	1.3
105.07020	10.4
107.08583	7.6
109.02882	0.8
109.06516	1.0
109.10168	8.5
111.04427	5.0
115.05441	0.7
117.07023	4.6
119.08575	100.0
120.08941	1.5
121.06499	1.9
121.10158	5.6
123.08082	3.1
123.11729	5.7
125.06005	1.0
125.09628	1.4
127.03927	1.3
128.06131	0.6
129.06976	1.6
130.07823	0.8
131.08595	5.0
133.10127	18.7
134.05815	0.8
135.08086	1.3
135.11646	1.7
137.05989	1.2
137.09589	3.4
140.92996	0.9
141.06999	1.0
142.07739	2.2
143.08543	3.4
144.09396	0.9
145.04924	1.5
145.10109	9.4
147.08035	2.3
147.11700	6.1
149.05995	1.0
149.09630	2.0
151.03848	0.8
151.07513	1.9
151.11166	2.9
155.08600	2.4
156.09340	2.3
157.10104	9.4
159.08008	0.9
159.11687	18.2
161.04483	0.8
161.09595	1.5
161.13258	2.8
163.07567	1.3
165.09132	1.6
165.66559	0.7
167.08603	1.3
167.10733	1.6
168.09332	0.8
169.10103	5.8
170.10817	0.8
171.11681	6.5
173.09616	2.2
173.13281	3.7
173.80257	0.7
175.11198	1.4
175.14835	1.2
177.09131	1.0
179.08568	0.9
179.10710	1.3
181.10118	2.8
182.10959	1.2
183.11691	7.1
185.09587	1.0
185.13152	4.2
187.07516	0.8
187.11198	2.4
187.14812	3.2
189.16399	2.0
191.10683	1.9
193.12170	1.0
195.11732	1.7
197.13228	7.6
199.11264	1.1
199.14807	3.7
201.12711	1.2
201.16396	3.0
203.10629	1.2
205.12268	2.0
207.11830	1.3
209.13293	0.8
211.11220	2.6
211.14821	3.1
213.16388	1.2
215.10677	2.2
215.14255	1.4
217.12239	3.3
219.13828	1.1
221.13234	1.8
222.13860	0.9
224.15504	0.7
225.12741	1.6
225.16353	1.5
229.12292	3.8
229.19490	1.1
231.05048	1.0
231.13828	2.2
233.15309	0.9
237.16360	2.3
239.14302	2.8
239.17918	5.6
243.13803	2.4
245.15259	0.9
253.19475	6.7
255.21194	1.0
257.15402	2.1
257.19031	2.5
259.16833	0.9
261.14807	1.7
263.18015	4.1
264.80948	0.9
271.20633	1.9
275.20096	1.4
281.18961	10.3
287.05533	1.2
288.05814	0.8
297.18472	1.2
299.20035	31.3
300.20309	1.3
317.21100	56.0
318.21448	2.9
335.22052	0.9
359.22153	1.2
383.22092	0.9
407.22107	3.6
529.23975	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28982	10.5
50.29583	9.4
55.01874	11.2
67.05502	17.5
69.03424	28.1
69.07082	12.8
69.78024	40.7
69.80938	10.3
73.02922	13.7
76.02230	10.3
81.03418	34.8
81.07056	16.7
85.02906	54.5
85.98367	12.4
87.00807	14.2
89.06033	31.8
91.05477	26.7
91.23489	11.1
93.07046	29.8
95.04990	19.1
95.08609	29.3
97.02895	44.4
99.04462	14.7
105.01858	16.6
105.07044	36.7
107.08591	32.3
109.02862	19.2
111.04470	15.7
117.07030	21.4
119.08609	100.0
121.02882	20.2
121.10149	12.5
127.03918	32.7
131.08641	14.7
133.08626	23.4
133.10155	31.0
136.02740	11.5
136.66702	13.1
137.06038	19.7
145.05042	14.5
145.10143	29.0
146.67336	13.1
147.04417	13.3
147.11685	18.3
151.03813	12.7
155.08578	30.9
156.09193	10.5
157.10118	21.8
159.08124	15.2
159.11673	35.0
161.09688	10.9
169.10129	17.0
177.09290	12.5
197.13225	15.3
205.12241	13.7
211.14629	12.7
219.19876	11.1
244.05417	11.2
253.19743	13.1
283.16858	20.5
299.20047	42.8
317.21207	64.2
327.19370	18.4
341.21078	19.4
389.21127	13.2
407.22205	68.6
425.23245	15.7
529.24255	41.0
600.25800	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.8
55.01872	5.0
55.05505	9.4
57.03444	5.1
61.02920	4.3
65.03927	5.1
67.05485	10.8
68.99783	6.7
69.03430	25.2
69.07067	29.3
71.04984	6.5
71.43208	2.1
72.08153	4.1
73.02906	5.8
74.28196	2.1
79.05499	8.0
81.03415	31.8
81.07053	13.6
83.08617	6.0
85.02904	54.0
87.00820	16.3
87.04443	2.4
89.06039	4.9
91.05466	18.0
93.07047	18.2
95.04966	4.5
95.08607	42.4
97.02889	26.3
99.04450	12.5
105.01856	21.6
105.07037	20.7
105.36749	2.2
107.08587	32.3
109.02876	29.6
109.10151	23.4
111.04456	7.6
111.11713	27.4
112.11277	2.3
117.01812	2.8
117.07040	2.8
119.04948	13.5
119.08568	36.8
121.02874	25.0
121.06552	2.6
121.10142	31.9
123.04370	2.6
123.11689	4.2
127.01595	2.8
127.03907	64.5
127.04858	3.1
129.01802	3.4
129.06984	4.1
131.08566	5.3
133.10117	28.4
135.04420	2.7
135.11691	23.4
142.07755	4.7
143.08577	5.2
145.04977	16.2
145.10124	10.4
147.04393	50.4
147.11688	18.0
149.09576	3.7
149.13223	11.2
151.03914	47.2
151.05009	4.1
152.04224	16.1
153.03146	4.0
156.09314	2.8
157.10139	8.5
159.02890	15.6
159.11717	6.5
161.09569	3.1
161.13242	12.6
163.03938	8.6
163.14873	3.4
169.01265	10.7
169.10153	6.2
171.11703	5.1
173.13211	2.9
175.14836	3.0
177.16248	2.6
178.95305	2.6
179.10648	3.0
183.02896	8.4
183.11731	6.9
185.13280	3.3
187.14857	7.0
189.16360	31.3
191.17937	86.9
197.13229	6.7
199.14900	3.0
201.16409	4.5
203.17944	46.6
204.10185	17.0
207.17467	5.5
211.11295	2.4
211.14908	3.2
213.03804	5.2
218.11865	3.9
220.09691	4.2
221.11630	4.4
229.12389	2.4
231.04953	15.1
239.18031	6.0
242.59952	2.2
243.13879	2.9
253.19531	6.9
257.15466	3.7
271.20435	5.3
273.03912	3.0
281.18988	4.7
283.02304	3.0
287.02399	2.6
287.05469	92.9
288.05829	100.0
289.06094	2.7
292.20227	5.1
295.08237	2.1
296.08569	2.5
299.20026	28.3
317.21082	99.7
318.21439	3.8
335.22131	37.9
363.46155	2.2
392.04868	2.8
401.06601	6.0
405.06287	11.7
419.07364	3.1
420.23001	3.2
438.23865	27.0
445.05890	2.6
454.23328	6.7
468.97510	2.2
508.14993	3.9
556.27832	6.0
565.26520	37.3
600.12317	2.9
600.27332	15.1
601.09351	14.0
601.18701	8.1
601.27887	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	600.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96383	1.2
53.03949	6.1
55.01865	2.4
55.05510	5.2
55.17682	1.5
55.17981	1.5
57.03443	3.0
61.02909	1.9
67.05495	11.5
68.99783	4.2
69.03425	16.9
69.07059	6.9
70.06600	1.4
71.04985	2.2
71.43233	1.7
73.02920	1.7
79.05498	7.4
81.03418	19.5
81.07052	15.2
83.04986	3.9
83.08622	3.7
84.04483	1.4
84.08142	1.9
85.02900	36.0
87.00829	18.0
87.04503	1.8
91.05460	12.6
93.07037	15.4
95.04971	2.8
95.08607	23.5
97.02886	51.3
97.03479	3.0
97.06516	6.9
99.04453	6.0
104.07083	2.0
105.01864	16.4
105.07027	23.3
106.02951	1.8
107.08594	14.1
109.02872	30.3
109.06531	3.1
109.10131	12.6
111.04437	8.1
111.08059	2.9
117.06992	3.4
119.01968	1.4
119.04961	1.6
119.08573	87.0
121.02832	2.6
121.06516	2.4
121.10115	8.6
123.04377	1.2
123.08076	2.9
123.11692	11.8
124.03969	4.5
124.58823	1.3
125.05975	1.5
126.01067	24.9
127.03906	52.6
128.06218	1.7
129.01855	2.8
129.07018	1.8
131.08580	9.0
133.10118	26.8
135.08092	1.6
135.11662	2.9
137.05963	2.9
137.09618	6.1
141.07019	2.8
142.07745	3.6
143.08554	6.6
145.04953	4.2
145.10117	16.9
147.08055	2.1
147.11659	11.3
149.09676	2.4
151.03844	1.4
151.07585	2.8
151.11174	3.4
153.74814	1.5
154.17372	1.2
155.08553	4.9
156.09364	2.2
157.10136	12.0
158.10858	1.4
159.02917	2.2
159.11682	20.0
161.09590	1.8
161.13226	4.2
163.07515	2.2
163.14848	1.5
165.09148	3.4
167.06996	3.9
167.08377	1.7
167.10678	2.6
168.09186	1.4
169.10114	9.5
171.11647	7.0
173.09639	1.8
173.13268	9.5
174.49248	1.4
175.11218	2.5
177.09113	3.7
179.10593	1.8
181.10104	1.6
183.11627	10.9
185.13261	6.3
187.06007	2.2
187.11189	4.2
187.14859	4.9
189.03937	2.1
189.09120	2.1
189.16402	5.2
191.10687	1.8
195.11696	2.1
197.09721	1.4
197.13252	11.5
199.11229	3.3
199.14842	6.4
199.70007	1.7
201.12711	2.9
201.16400	5.5
203.10667	3.0
203.14275	1.9
205.12151	2.3
207.11778	1.8
211.11226	2.6
211.14891	4.6
213.03906	23.1
213.16405	5.4
215.10667	3.1
217.12238	4.9
219.13742	1.8
220.06047	4.7
221.13217	3.2
225.12706	3.6
227.14340	2.3
227.18056	1.6
229.12228	6.7
231.05005	9.8
231.13730	1.8
237.16371	3.0
239.14314	3.8
239.17935	7.9
243.13870	2.5
245.15361	2.1
253.19460	15.2
257.15414	3.0
257.18973	2.9
263.17969	3.6
275.20065	1.9
281.18988	16.5
289.21561	2.3
297.18494	2.2
299.20041	57.2
300.20367	3.4
317.21085	100.0
318.21375	4.4
335.04572	13.4
335.22098	7.7
359.22516	1.9
407.22125	6.6
425.23236	3.1
516.49353	1.4
529.24268	4.6
547.25330	9.2
565.26691	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	600.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96383	1.2
53.03949	6.1
55.01865	2.4
55.05510	5.2
55.17682	1.5
55.17981	1.5
57.03443	3.0
61.02909	1.9
67.05495	11.5
68.99783	4.2
69.03425	16.9
69.07059	6.9
70.06600	1.4
71.04985	2.2
71.43233	1.7
73.02920	1.7
79.05498	7.4
81.03418	19.5
81.07052	15.2
83.04986	3.9
83.08622	3.7
84.04483	1.4
84.08142	1.9
85.02900	36.0
87.00829	18.0
87.04503	1.8
91.05460	12.6
93.07037	15.4
95.04971	2.8
95.08607	23.5
97.02886	51.3
97.03479	3.0
97.06516	6.9
99.04453	6.0
104.07083	2.0
105.01864	16.4
105.07027	23.3
106.02951	1.8
107.08594	14.1
109.02872	30.3
109.06531	3.1
109.10131	12.6
111.04437	8.1
111.08059	2.9
117.06992	3.4
119.01968	1.4
119.04961	1.6
119.08573	87.0
121.02832	2.6
121.06516	2.4
121.10115	8.6
123.04377	1.2
123.08076	2.9
123.11692	11.8
124.03969	4.5
124.58823	1.3
125.05975	1.5
126.01067	24.9
127.03906	52.6
128.06218	1.7
129.01855	2.8
129.07018	1.8
131.08580	9.0
133.10118	26.8
135.08092	1.6
135.11662	2.9
137.05963	2.9
137.09618	6.1
141.07019	2.8
142.07745	3.6
143.08554	6.6
145.04953	4.2
145.10117	16.9
147.08055	2.1
147.11659	11.3
149.09676	2.4
151.03844	1.4
151.07585	2.8
151.11174	3.4
153.74814	1.5
154.17372	1.2
155.08553	4.9
156.09364	2.2
157.10136	12.0
158.10858	1.4
159.02917	2.2
159.11682	20.0
161.09590	1.8
161.13226	4.2
163.07515	2.2
163.14848	1.5
165.09148	3.4
167.06996	3.9
167.08377	1.7
167.10678	2.6
168.09186	1.4
169.10114	9.5
171.11647	7.0
173.09639	1.8
173.13268	9.5
174.49248	1.4
175.11218	2.5
177.09113	3.7
179.10593	1.8
181.10104	1.6
183.11627	10.9
185.13261	6.3
187.06007	2.2
187.11189	4.2
187.14859	4.9
189.03937	2.1
189.09120	2.1
189.16402	5.2
191.10687	1.8
195.11696	2.1
197.09721	1.4
197.13252	11.5
199.11229	3.3
199.14842	6.4
199.70007	1.7
201.12711	2.9
201.16400	5.5
203.10667	3.0
203.14275	1.9
205.12151	2.3
207.11778	1.8
211.11226	2.6
211.14891	4.6
213.03906	23.1
213.16405	5.4
215.10667	3.1
217.12238	4.9
219.13742	1.8
220.06047	4.7
221.13217	3.2
225.12706	3.6
227.14340	2.3
227.18056	1.6
229.12228	6.7
231.05005	9.8
231.13730	1.8
237.16371	3.0
239.14314	3.8
239.17935	7.9
243.13870	2.5
245.15361	2.1
253.19460	15.2
257.15414	3.0
257.18973	2.9
263.17969	3.6
275.20065	1.9
281.18988	16.5
289.21561	2.3
297.18494	2.2
299.20041	57.2
300.20367	3.4
317.21085	100.0
318.21375	4.4
335.04572	13.4
335.22098	7.7
359.22516	1.9
407.22125	6.6
425.23236	3.1
516.49353	1.4
529.24268	4.6
547.25330	9.2
565.26691	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	600.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20850	0.9
50.38912	0.8
51.02374	1.5
53.03936	1.9
55.01866	1.3
55.05499	2.7
56.14847	0.8
57.03410	0.8
57.07067	3.2
59.05005	1.1
65.03923	1.8
67.05161	1.5
67.05500	20.9
69.03437	3.8
69.07067	3.9
69.96661	1.7
69.97005	1.2
71.04987	9.9
71.08624	1.7
77.03918	1.9
79.05477	5.6
81.03392	1.3
81.07056	19.3
83.04980	4.0
83.08629	1.0
85.02924	1.3
85.06529	1.0
86.06068	1.6
87.04459	4.8
89.06035	4.5
89.16203	0.8
91.05470	11.4
93.07043	10.9
94.32243	0.7
95.04961	14.2
95.08598	5.0
97.02892	13.8
97.06525	3.7
97.10111	0.8
98.23400	1.0
103.05467	1.4
104.07102	4.0
105.03391	26.9
105.04503	1.6
105.07021	18.9
107.04950	0.8
107.08574	5.7
109.06509	3.7
109.10149	3.3
111.04436	5.3
111.08086	3.5
113.05993	4.3
115.05466	1.2
117.07005	5.7
119.04967	2.2
119.08578	65.9
121.06522	3.2
121.10135	3.8
123.04422	4.8
123.08056	1.5
128.06181	1.1
129.06946	4.2
130.07776	1.2
131.08554	10.2
133.06519	1.6
133.08617	3.3
133.10112	10.3
135.08076	4.2
137.05991	2.4
137.09631	2.2
139.07541	1.4
141.05470	17.3
141.07025	2.0
142.07780	6.1
143.08553	9.7
144.09357	1.0
145.10115	12.7
147.08051	2.8
147.11671	3.5
149.09654	2.7
151.07535	1.0
155.07030	27.8
155.08522	5.6
156.09399	5.5
157.10123	17.1
158.10873	2.4
159.08049	3.3
159.11681	17.6
161.09596	4.1
163.07509	1.0
163.11169	1.1
165.07028	1.2
165.09111	1.3
166.07819	0.9
167.08539	3.9
167.10681	2.0
168.09366	2.2
169.10109	17.3
170.10870	5.1
171.11678	17.7
171.13039	1.4
173.09636	2.5
173.13254	17.7
175.11172	3.6
177.09100	2.2
177.12665	1.0
179.08519	4.4
179.10744	1.0
180.09323	3.0
181.08597	2.1
181.10103	4.4
182.10880	4.5
183.11688	13.0
184.12471	4.3
185.09633	6.5
185.13266	10.4
186.10335	1.3
187.11185	2.4
187.14767	2.4
192.09387	1.6
193.10068	5.7
193.44061	0.9
194.10902	3.2
195.10149	1.1
195.11681	9.3
196.12457	4.1
197.09615	1.8
197.13254	27.9
198.13747	0.8
199.11198	1.0
199.14757	1.9
201.12735	9.9
202.13409	1.1
203.10760	1.3
203.14326	2.6
205.10178	4.0
205.11844	0.9
206.10947	2.3
207.11707	8.9
208.12471	2.7
209.13235	12.8
210.13956	1.9
211.11241	2.4
211.14786	14.2
212.15320	1.1
215.14326	3.7
216.14594	0.9
219.11804	3.9
220.12473	24.6
221.13370	6.7
221.15350	1.4
223.11172	2.0
223.14734	8.0
225.12730	2.8
225.16345	10.5
233.13321	1.7
234.13966	5.0
235.14799	41.9
236.15414	2.3
237.12724	2.0
238.13336	1.0
239.14252	1.2
239.17917	2.8
249.16402	11.1
251.14436	1.7
253.12074	1.2
253.13097	1.0
253.15848	15.1
254.16255	1.0
255.13792	6.0
257.11713	1.1
259.14856	1.0
262.13428	1.7
265.12210	1.1
267.17450	7.3
269.15286	1.8
271.16943	8.0
277.15826	5.4
280.14624	3.4
283.15424	1.3
285.18466	3.3
295.16891	24.8
303.19507	1.7
313.17960	100.0
314.18195	4.0
331.19016	12.8
401.22879	1.1
519.23474	1.0
553.40161	1.0
600.31268	3.1
600.40588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01855	1.8
55.05507	15.4
56.82649	0.9
57.07065	2.4
60.80368	0.8
61.02929	1.5
67.71238	1.0
68.99780	1.0
69.03422	6.7
69.07063	22.3
69.55566	2.9
71.04978	1.2
71.08611	2.4
73.02901	5.1
79.05488	1.2
81.03394	5.4
81.07050	2.2
83.08607	12.9
85.02898	12.4
85.10153	2.6
87.00803	6.3
87.04455	3.7
89.06022	64.2
95.08603	2.4
97.02882	3.2
97.10165	16.1
99.04450	1.8
103.03938	1.1
105.01847	3.8
105.06969	0.9
107.07059	4.6
107.08613	1.0
109.02878	4.4
109.10124	2.3
111.11710	7.7
111.56946	0.9
117.61242	0.8
119.08531	1.3
119.64807	0.9
121.02850	1.1
121.10103	1.0
122.46221	0.8
125.13269	1.4
126.16931	0.8
127.01544	1.8
127.03896	6.8
133.08589	16.4
145.04945	2.3
147.11685	1.1
151.09636	38.3
153.03120	2.5
159.02879	2.3
159.11630	1.0
177.11241	2.0
185.19014	1.5
185.78275	1.0
191.17984	4.5
221.67975	1.0
231.05060	0.9
273.24234	2.4
299.19952	1.0
317.21030	2.0
317.26801	5.1
335.27866	100.0
336.28152	2.5
601.30072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03944	0.7
55.05507	0.5
57.07073	0.7
59.04995	0.4
59.32542	0.4
67.05487	1.0
69.03403	0.4
70.40878	0.7
70.41231	0.4
77.03927	0.4
79.05491	5.1
81.07051	1.6
83.04961	0.5
83.08639	0.4
87.04454	1.0
89.06024	12.9
91.05470	2.8
93.07043	4.8
95.04961	4.0
95.08596	1.3
103.05462	4.3
105.04535	1.2
105.07022	100.0
106.07291	1.6
107.08580	2.3
109.06515	0.9
109.10149	0.9
117.07004	0.6
119.08549	3.3
121.06496	11.7
121.10109	1.7
123.08057	0.7
128.06236	0.3
129.06944	0.8
131.08575	1.9
133.06496	0.4
133.08592	5.5
133.10132	1.6
135.08032	1.3
137.09610	0.6
139.07553	0.5
142.07756	0.7
143.08553	2.5
145.06415	0.4
145.10115	2.6
147.08000	2.4
147.11700	0.8
149.09622	1.0
151.07587	0.4
156.09348	0.5
157.10127	2.6
159.07956	0.5
159.11670	1.5
161.09665	1.0
161.13222	0.4
163.11160	0.7
165.09108	6.0
167.10645	0.6
169.10176	1.0
171.11658	1.6
172.12332	0.4
173.09607	0.6
173.13206	0.7
175.11150	1.0
177.11279	2.3
179.08656	0.4
181.10118	0.8
182.10924	0.5
183.10207	0.6
183.11703	1.2
185.13231	1.1
189.12743	0.5
190.13338	0.4
193.10106	0.5
193.12177	0.6
194.10886	0.5
195.11743	1.1
197.13216	1.1
199.14886	0.4
203.14343	1.2
207.11685	0.6
207.13753	0.5
208.14467	0.4
209.11725	0.5
209.13261	3.4
211.11220	0.4
211.14839	0.5
215.14232	0.4
221.13419	0.6
221.15340	3.5
222.13965	0.4
225.12750	0.9
225.16380	0.4
233.13274	0.4
233.15305	0.5
237.12704	0.6
237.14859	1.3
248.13919	0.7
249.12523	0.3
249.16435	0.5
251.14241	1.9
253.15828	0.5
255.17465	0.9
261.16306	0.5
269.15286	0.7
271.15372	31.3
272.15649	1.2
272.60849	0.4
274.19482	0.4
275.68097	0.3
286.19492	0.6
294.19815	0.5
297.19012	0.4
299.20053	0.8
303.19528	1.9
313.21664	0.5
325.21750	0.4
329.18881	0.5
335.19751	0.3
337.96255	0.4
352.23929	4.0
365.24698	0.7
375.21606	16.1
376.21997	0.8
479.27850	1.2
520.35248	1.5
566.24921	0.4
600.41827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
69.53600	1.1
69.53985	0.9
77.03942	0.6
79.05487	4.8
87.04469	1.5
89.06023	12.1
91.05490	1.3
93.07027	2.6
93.14243	0.5
95.04954	3.6
98.23416	0.7
103.05466	4.1
105.04517	1.2
105.07018	100.0
106.07355	1.5
119.04899	0.5
121.06495	10.4
131.08549	0.7
133.08597	4.9
147.08035	1.3
165.09088	4.9
174.41293	0.5
177.11243	1.4
183.10159	0.7
195.53981	0.4
209.11574	0.7
209.13269	1.6
225.12772	0.9
251.14259	1.3
269.15277	0.7
271.15366	30.4
272.15750	1.1
329.19263	0.5
330.03629	0.5
375.21634	19.4
376.22165	0.8
415.25067	0.7
468.27420	0.5
479.28015	2.0
493.39886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	11.1
69.18869	66.0
79.05515	13.0
79.83045	9.7
81.07041	10.9
89.06041	30.1
91.05519	20.4
93.07066	13.0
95.08604	12.2
97.06559	12.2
105.07018	100.0
107.08535	14.9
119.08545	18.9
121.10134	16.2
123.08059	10.7
131.08582	12.6
133.08603	19.3
143.08575	16.4
145.10123	14.2
157.10068	17.9
163.11143	11.4
181.12265	18.1
203.14215	11.7
209.13210	10.5
221.15372	44.5
245.13289	11.7
253.46405	10.1
253.48935	11.4
259.17175	10.9
287.52185	10.3
329.75787	11.3
343.30429	10.3
352.23981	27.8
440.29236	18.9
471.91916	12.5
600.40857	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10128	0.8
50.75981	0.7
53.03944	1.1
55.05511	2.7
57.07062	2.8
59.05005	1.1
61.79053	0.7
67.05499	5.4
69.03421	3.2
69.07053	3.1
69.24176	4.0
72.69112	0.8
77.03915	1.4
77.12360	0.7
78.04691	0.7
79.05492	10.9
81.07059	7.3
83.04974	3.5
83.08611	1.8
85.06555	1.2
87.04467	1.1
89.06026	10.9
91.05471	11.8
91.85376	0.7
93.07039	16.0
95.04960	6.7
95.08602	7.7
97.06522	2.3
102.58566	0.7
103.05473	3.9
105.04504	2.7
105.07024	100.0
106.07310	1.2
107.04929	0.9
107.08594	10.4
109.06518	4.8
109.10139	3.5
111.08108	2.1
115.05424	1.9
117.07004	5.1
119.08571	13.9
120.09390	1.0
121.06499	14.1
121.10141	9.3
122.07212	0.8
122.58291	0.8
123.08044	5.7
123.11691	1.4
125.05982	1.2
125.09599	0.9
128.06215	2.5
129.07025	4.7
130.07794	2.1
131.08559	8.9
132.09326	1.3
133.06477	2.2
133.08601	6.2
133.10110	9.2
135.08064	4.8
135.11676	2.3
137.06012	0.8
137.09636	3.4
139.07544	1.5
139.11174	1.0
141.06958	2.3
142.07773	6.6
143.08563	9.9
144.09338	2.8
145.06511	1.2
145.10129	13.7
147.08051	8.1
147.11673	2.6
149.09586	4.1
150.10071	0.8
151.07480	4.0
155.08540	3.8
156.09315	5.3
157.10129	16.2
158.10893	2.6
159.08038	3.2
159.11685	7.1
161.09645	4.7
161.13235	1.9
162.10297	0.8
163.11189	4.1
163.86613	0.8
165.06992	1.7
165.09117	13.0
167.08553	0.9
167.10699	2.5
168.09286	1.0
169.10120	5.1
170.10919	2.6
171.11664	7.4
172.12366	1.2
173.09618	3.4
173.13219	4.5
175.11168	4.7
177.11246	2.0
177.12735	0.8
179.08615	2.2
179.10672	1.1
180.09367	1.3
180.11478	1.1
181.10159	2.9
181.12209	2.9
182.10844	1.1
183.11681	4.9
184.12352	1.3
185.09642	1.1
185.13274	5.2
187.11188	1.6
187.14775	1.5
189.12735	2.9
190.13518	2.9
191.10654	1.0
192.09282	1.5
193.10139	3.2
193.12314	1.4
194.10887	1.1
195.11696	4.5
196.12387	1.7
197.09557	1.1
197.11676	1.2
197.13278	4.8
198.13937	1.0
199.11198	1.4
199.14832	1.6
201.12717	2.4
203.14325	6.5
206.10915	1.5
207.11676	3.4
207.13831	3.7
208.14618	2.0
209.11555	1.4
209.13300	6.2
209.15218	1.6
210.10353	1.0
210.13895	1.3
211.14793	2.0
213.12738	2.9
213.16231	0.8
215.14267	1.8
217.12363	1.1
218.16632	1.1
219.11732	1.3
219.13669	1.9
221.13274	2.4
221.15334	23.0
223.11201	1.1
223.14757	3.0
225.12764	2.0
225.16342	1.9
227.14398	1.2
233.13251	1.6
233.15373	3.3
234.16051	4.2
235.14882	2.4
235.17072	1.2
237.12718	1.5
237.14664	8.5
239.14426	1.5
243.13788	0.8
246.13951	1.1
247.14764	1.7
247.17007	2.2
248.14160	2.9
249.16365	1.9
250.15657	1.1
251.14285	2.2
253.15886	2.2
255.17371	6.5
259.14539	1.0
259.17023	1.7
261.16391	2.0
265.19443	0.8
269.15491	1.5
271.15302	29.1
272.15692	1.2
274.19116	4.0
279.17523	1.8
281.18915	1.3
285.18607	1.7
286.19510	4.0
287.20129	3.8
294.19800	1.8
295.20483	1.4
297.18686	1.1
299.20071	3.1
303.19531	15.8
307.20663	0.8
312.20688	1.1
313.21637	4.6
325.21497	5.0
337.21613	2.3
352.23950	27.4
353.24625	1.3
364.02182	1.2
365.24622	5.1
375.21655	15.2
377.24774	1.9
383.25836	1.9
386.34464	0.8
401.26892	1.0
420.30173	1.2
459.17218	0.8
462.81665	0.9
468.09424	0.8
479.27936	1.0
502.34219	3.5
503.05814	0.8
503.35132	2.6
505.32855	1.0
507.34589	3.5
520.35468	12.0
553.01831	0.8
583.42065	1.2
600.41492	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.8
57.07066	19.7
59.04998	4.6
67.05493	11.7
69.03408	5.9
69.07053	5.9
69.17872	3.5
69.18272	9.4
70.52332	1.7
71.08631	11.8
71.93681	1.9
73.06531	3.9
79.05479	13.7
81.07037	9.8
83.04969	6.0
83.08594	4.1
85.10175	8.4
87.04465	7.3
89.06018	48.6
91.05461	15.0
93.07024	23.0
95.04945	10.5
95.07554	1.7
95.08593	11.8
97.06518	3.7
97.10146	2.1
105.07018	100.0
106.07315	3.3
107.08587	17.6
109.06534	7.0
109.10161	5.4
115.05444	4.1
117.07007	8.4
117.09138	4.1
119.04900	2.1
119.08566	26.3
121.06520	8.3
121.10119	18.2
123.08060	10.5
125.06009	1.8
125.09630	3.3
128.06227	6.0
129.06989	9.9
131.08578	16.9
133.06493	3.3
133.08583	26.5
133.10098	13.3
135.08075	8.5
135.11691	4.7
137.09595	6.6
139.01613	3.1
141.06995	5.3
142.07753	10.8
143.08545	16.9
144.09329	5.3
145.10136	21.6
146.10591	1.9
147.08049	14.3
147.11720	5.2
148.17546	1.9
149.09631	8.9
151.07520	6.6
153.03137	3.0
155.08563	6.0
156.09334	7.5
157.10120	23.5
158.10815	3.5
159.08075	5.5
159.11682	13.6
161.09639	6.8
161.13237	2.0
163.11188	7.1
165.06984	4.2
165.09087	16.5
167.08612	4.8
167.10681	8.4
168.09387	2.1
169.10144	7.7
170.10857	5.6
171.11688	13.0
172.12524	3.6
173.09634	7.0
173.13194	4.0
175.11186	8.4
177.11166	13.5
179.10786	2.7
181.10086	3.6
181.12196	3.6
182.10910	3.2
183.11676	10.3
185.09584	2.3
185.13242	6.3
189.12733	5.8
190.13536	4.1
193.10106	3.4
193.12215	4.4
194.10884	3.5
195.11664	8.4
197.13268	5.7
199.14757	2.8
201.12784	3.2
203.14325	7.3
206.10817	2.4
207.11775	2.6
207.13773	4.6
208.12465	3.5
208.14505	3.2
209.13275	8.0
209.15300	2.2
211.11174	2.9
211.14832	3.0
213.12828	3.5
215.14172	3.8
219.11676	3.4
219.13863	3.6
220.12524	2.4
221.13303	5.4
221.15346	30.9
222.15857	2.7
223.14845	4.5
225.12721	5.5
225.16382	5.4
233.13287	3.0
233.15353	7.8
234.16029	4.7
237.12727	3.0
237.14699	12.3
247.17033	3.4
248.14064	3.4
249.16359	3.4
251.14302	4.1
253.15817	3.5
255.17349	6.9
257.24725	3.0
259.14816	2.6
261.16370	3.4
263.18005	3.2
265.16309	2.1
274.19263	4.5
281.18866	2.2
285.18503	3.1
286.19012	4.7
287.20035	3.6
293.18814	2.4
294.19574	2.5
299.19962	5.0
303.19522	17.7
313.21652	3.3
325.21667	3.5
337.21506	4.1
352.23920	39.5
359.23721	2.1
365.24814	7.8
375.22098	2.1
377.24658	3.3
391.26450	2.1
502.34152	4.8
503.34924	4.5
507.34528	2.3
508.34610	5.3
520.35510	15.9
582.40076	2.6
583.43683	3.8
600.41071	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
53.52640	2.4
54.67793	2.3
55.01864	3.0
55.05507	18.3
57.07050	5.6
59.04996	4.4
65.03946	3.0
66.22257	1.9
67.05505	31.5
69.03436	11.0
69.07061	18.0
69.87408	2.5
69.87754	6.8
71.04978	5.5
77.03937	2.5
79.05489	34.6
79.85343	2.0
80.07116	1.8
81.07053	37.3
83.04981	15.4
83.08619	12.2
83.25216	1.9
85.06532	9.1
87.04454	4.0
89.06027	6.9
91.05474	45.4
91.05992	4.1
93.07037	63.2
95.04955	22.3
95.08610	30.5
97.06520	15.9
105.04510	6.5
105.07023	100.0
107.04935	3.4
107.08586	64.0
109.06509	20.1
109.10160	28.8
111.08068	9.7
113.09578	3.0
115.05447	7.8
116.06258	2.5
117.06999	19.9
119.04919	2.4
119.08571	76.8
120.09341	2.9
121.06509	11.8
121.10143	42.7
123.08066	27.6
123.11704	6.3
125.09624	11.1
128.06227	12.8
129.07005	24.9
130.07774	8.5
130.22713	2.6
131.08549	46.0
131.09467	3.8
132.09370	3.3
133.06485	7.6
133.08598	5.2
133.10120	49.5
134.10873	2.5
135.08041	15.9
135.11665	10.4
137.09575	10.6
139.11151	6.3
141.06949	13.1
142.07774	30.7
143.08551	56.3
144.09357	12.2
145.06451	7.6
145.10126	70.8
147.08031	19.2
147.11681	18.5
149.09596	13.2
149.13269	2.3
151.07512	9.1
153.06978	4.9
153.09077	2.4
154.07745	4.9
155.08521	23.0
155.10651	11.1
156.09331	23.8
157.10110	70.2
158.10878	10.7
159.08073	17.4
159.11678	50.3
160.08829	5.0
161.09612	19.2
161.13240	9.5
163.11137	8.2
165.07014	9.0
165.09106	8.6
166.07788	5.0
167.08543	15.2
167.10667	15.1
168.09364	7.9
169.10124	36.7
170.10835	13.3
171.08014	2.8
171.11690	44.3
172.08852	3.8
172.12422	4.2
173.09601	14.2
173.13214	23.0
174.14040	4.0
175.11154	19.6
175.14815	7.3
179.08542	13.4
180.09349	8.1
181.10098	21.4
181.12201	4.1
182.10880	12.2
183.11690	30.8
184.12463	4.9
185.09534	3.7
185.13216	28.7
186.14041	2.7
187.11133	8.1
187.14813	9.1
188.11871	2.9
189.12688	9.8
190.13539	3.6
191.14265	5.5
192.09381	5.8
193.10124	15.0
193.12119	3.5
194.10925	12.4
195.11676	32.9
196.12430	6.9
197.09508	3.8
197.13258	35.7
199.11140	8.2
199.14821	14.2
200.15704	2.4
201.12766	6.5
201.16370	4.3
203.08438	3.2
203.14377	11.0
205.10074	7.2
205.12250	2.6
206.10875	6.7
207.11664	19.4
207.13788	5.8
208.12471	11.0
208.14311	2.9
209.13251	31.0
210.13908	5.3
211.11168	7.0
211.14780	22.4
212.15669	3.2
213.12732	14.1
213.16237	3.5
215.14284	10.2
217.10005	5.8
217.15897	3.6
218.10744	3.7
218.16595	2.7
219.11630	7.6
219.13666	4.1
220.12497	5.7
221.13205	14.2
221.15367	16.9
222.13982	6.0
223.10957	2.6
223.14851	19.5
225.12769	7.3
225.16330	6.2
226.75584	2.4
227.14267	7.1
229.15897	3.2
231.11575	5.4
232.12531	3.7
233.13194	9.0
233.15366	25.1
234.16188	4.1
235.14874	12.5
236.15579	3.3
237.12772	4.3
237.16428	12.5
239.18037	4.2
241.15686	3.9
243.11665	3.5
245.13234	4.8
246.13976	2.9
247.14838	7.5
249.16391	9.4
251.14197	4.4
251.18033	5.2
253.15849	5.0
255.17410	31.5
257.18930	2.8
258.13858	2.7
259.14716	5.7
260.15668	2.6
261.16357	9.0
263.17944	7.7
265.15805	3.0
265.19467	4.4
267.17450	4.0
269.18936	6.1
270.19696	4.8
275.17886	5.1
277.19443	2.8
279.17465	4.3
281.19000	8.6
285.18546	4.6
287.20181	4.9
289.19559	3.4
294.19565	4.1
295.20544	4.0
299.20331	3.4
307.20471	3.1
313.21484	4.7
315.21075	2.7
321.21957	2.9
329.22620	2.4
335.23584	3.1
347.23743	4.0
349.25027	2.8
352.24026	4.4
364.02197	2.5
365.24612	6.1
383.25656	6.7
600.41217	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68945	9.6
54.61168	10.2
59.05001	11.8
59.20700	9.9
67.05486	14.6
69.10706	41.0
69.11108	23.1
71.94603	10.0
79.05494	12.6
81.07065	13.6
87.04469	13.8
89.06014	28.1
91.05460	23.5
93.07044	11.7
94.76424	8.9
95.08606	12.3
102.64929	10.5
105.07014	100.0
109.06562	11.5
119.08587	26.3
133.08589	18.9
133.10062	11.9
143.08513	16.9
144.09384	9.5
145.10107	18.2
147.08022	23.9
151.07527	11.8
157.10110	24.1
159.11652	10.3
165.09117	29.3
171.11673	10.8
175.11072	11.2
175.43274	9.6
181.12099	14.8
185.13373	10.7
203.14322	12.0
221.15288	77.4
222.15668	12.8
234.16154	15.8
274.19254	16.7
308.99130	10.2
329.19312	10.3
352.23965	18.2
440.29288	27.2
520.35461	18.7
565.40613	9.9
600.41260	17.3
600.55420	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77587	1.4
53.03931	1.9
55.01865	1.8
55.05506	8.4
57.07074	42.4
59.05001	4.2
65.03946	1.4
67.05502	10.6
69.03420	6.2
69.07061	9.9
69.11305	8.5
71.08631	30.5
72.84412	1.2
73.06548	8.0
73.65080	1.2
78.35785	1.6
79.05496	12.4
80.05849	1.5
81.03434	3.2
81.07062	16.9
83.04973	6.3
83.08620	6.9
84.02321	1.4
85.06524	1.7
85.10184	15.4
87.04463	34.3
88.04829	7.5
89.06029	100.0
91.05480	19.5
93.07040	21.7
95.04971	13.0
95.08604	14.0
95.93494	1.3
97.06525	4.7
97.10162	5.0
99.07962	1.3
99.11714	2.4
103.05463	3.5
105.07025	83.7
106.07352	20.6
107.07036	3.7
107.08602	17.1
108.05701	1.3
109.06484	8.2
109.10126	6.9
111.08098	2.9
111.11722	2.4
113.13277	1.7
115.05412	2.7
117.07005	7.6
117.09136	5.4
119.08582	28.1
120.08862	1.5
120.71607	1.6
121.06515	7.0
121.10146	15.7
123.08065	11.2
124.62812	1.4
125.09631	2.5
128.06247	5.4
129.07018	8.8
130.07784	3.5
131.07019	2.5
131.08557	15.2
133.06491	3.8
133.08603	51.3
133.10089	16.4
135.08028	8.7
135.11703	4.1
137.09624	5.2
139.07536	1.4
139.11217	1.3
141.07014	2.9
142.07770	10.4
143.08551	20.9
144.09335	6.3
145.06485	3.4
145.10120	20.2
146.10918	1.3
147.08057	12.7
147.11684	5.3
148.08746	1.8
149.09621	6.3
150.10484	1.3
151.07541	5.1
154.07703	2.6
155.08571	7.2
156.09340	7.7
157.10126	26.2
158.10876	3.0
159.08075	6.5
159.11681	15.6
160.08835	2.2
161.09601	7.6
161.11784	1.3
161.13289	3.6
163.11200	4.9
165.06984	3.7
165.09074	16.0
167.08601	2.9
167.10728	4.2
168.09372	1.4
169.10143	9.7
169.19576	3.8
170.10890	3.5
171.11713	13.2
172.12395	3.0
173.09647	5.4
173.13251	5.1
174.10374	2.1
175.09756	2.3
175.11121	8.4
175.14882	1.9
176.11847	1.6
177.11224	20.2
177.12669	1.8
179.08530	4.2
180.09258	2.0
181.10147	4.2
181.12209	2.2
182.10945	2.0
183.11652	11.7
184.12411	2.1
185.09633	3.0
185.13252	8.8
186.13989	2.4
187.11192	3.6
187.14886	2.6
189.12781	4.4
190.13538	3.1
191.10594	2.3
193.10155	5.0
193.12231	3.8
194.10909	3.2
195.11699	8.2
196.12550	2.6
197.09584	1.9
197.13271	6.2
198.14105	1.5
199.11171	4.2
199.14813	2.3
201.12744	3.8
203.14285	8.3
206.10837	3.4
207.11656	6.3
207.13789	5.5
208.12407	2.2
208.14430	2.4
209.09444	1.9
209.13272	7.5
209.15192	2.5
210.13754	2.1
211.11191	2.8
211.14871	3.1
212.12003	2.1
213.12682	2.6
213.22241	2.4
215.14276	2.7
218.10930	1.6
219.11656	1.6
219.13737	1.7
221.13400	4.3
221.15379	26.0
222.15814	1.8
223.11223	2.3
223.14819	3.8
225.16353	2.5
231.11641	1.7
233.13292	2.5
233.15265	9.5
234.13905	2.0
234.16080	3.2
235.14868	2.6
237.14670	8.9
247.14803	1.8
247.16963	2.9
248.14024	2.9
249.16508	2.3
253.15771	2.6
255.17445	9.7
257.24832	10.0
261.16422	1.9
269.18991	2.4
270.14066	1.3
271.17044	3.1
273.18585	2.8
274.19266	2.4
279.17383	2.1
281.18970	2.2
286.19321	3.1
287.20190	3.0
294.19595	1.8
295.20486	1.9
299.20151	2.5
301.27228	2.5
303.19522	13.4
307.20410	1.9
312.20804	2.0
313.21600	4.5
325.21606	3.9
329.18448	1.8
337.21729	2.9
337.27634	2.4
352.23993	26.2
365.24704	5.8
371.22449	1.7
377.24966	1.7
414.27438	1.4
415.25278	3.1
477.80280	1.7
502.34207	4.5
503.35422	1.8
505.33011	2.9
507.34589	2.2
510.93069	1.5
520.35327	16.1
544.19495	2.1
583.43555	5.4
600.41351	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
57.03430	0.6
57.07069	40.2
59.04988	1.2
65.00977	0.3
65.03938	0.4
67.05507	2.3
69.03416	0.6
69.07062	5.1
71.04983	0.5
71.08623	29.6
72.08972	0.4
73.02916	0.8
73.06547	9.2
76.64530	0.3
79.05480	3.0
81.03418	1.6
81.07055	3.4
83.04968	1.1
83.08604	2.6
85.10172	17.7
87.04455	7.6
89.06019	100.0
91.05468	2.9
91.07581	1.2
93.06477	0.5
93.07034	3.1
95.04970	2.0
95.08600	2.7
97.06485	0.4
97.10162	3.3
99.11716	3.4
103.05439	0.5
105.04507	0.3
105.07017	16.4
106.07363	1.2
107.04965	0.3
107.07033	1.9
107.08543	2.0
109.06496	0.9
109.10144	1.1
111.08069	0.5
111.11707	2.3
113.05978	0.3
113.13255	1.2
115.05453	0.4
117.06997	1.5
117.09123	6.0
119.08573	3.4
119.28576	0.3
120.09383	0.3
121.06483	1.0
121.10141	2.4
122.67864	0.3
123.08057	1.3
125.09622	0.4
125.13285	0.4
127.01575	0.8
127.14827	0.8
128.06177	0.7
129.07001	0.9
130.08629	1.3
131.07004	1.5
131.08543	2.1
133.08588	44.8
133.10182	1.5
134.08958	0.6
135.08029	0.9
135.10158	0.8
135.11696	0.6
137.09625	0.8
138.08356	0.3
141.06999	0.5
142.07753	1.4
143.08534	1.9
144.09283	0.6
145.10109	3.2
146.10680	0.3
147.08028	1.3
147.11693	0.8
149.09641	0.8
151.07549	0.7
151.14792	0.3
153.03087	1.0
155.08560	1.2
157.10120	2.7
159.07979	0.5
159.11671	1.1
161.09604	1.0
161.11687	1.2
161.13068	0.3
163.11188	0.5
165.07010	0.6
165.09087	1.5
167.08511	0.5
167.10704	0.4
168.09303	0.4
169.10095	1.3
169.19513	2.7
170.10835	0.4
171.11650	1.1
173.09598	0.5
175.09656	0.8
175.11160	0.9
175.14827	0.5
177.11191	16.5
178.11424	0.4
181.10095	0.9
182.10846	0.4
183.11575	0.8
185.13184	0.9
187.11134	0.5
192.09361	0.4
193.10292	0.5
193.12141	0.6
194.10893	0.6
195.11710	1.3
196.12361	0.4
197.13206	0.7
199.11118	0.5
199.14767	0.4
201.12654	0.5
203.14354	0.6
207.11647	0.9
207.13617	0.5
209.13229	1.1
211.14824	0.5
213.22101	2.5
219.12016	0.5
221.13583	2.9
221.15666	2.0
223.14975	0.4
225.12769	0.6
231.11655	0.4
233.13237	0.4
233.15388	0.6
237.14613	0.4
239.14865	1.2
241.16010	0.4
251.14427	0.4
255.17422	0.5
257.24716	6.5
265.16324	0.7
267.15747	1.6
274.19293	0.6
283.17413	1.6
299.19852	0.7
301.27335	4.0
303.19443	1.0
309.18777	0.5
313.21585	0.4
327.20151	0.7
337.27206	1.3
352.23892	1.9
365.24463	0.5
415.25244	3.2
451.35828	0.6
520.35461	0.8
529.38788	0.9
539.41730	0.5
547.39441	0.5
583.44141	4.3
600.47247	0.8
627.37939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31644	1.2
53.40103	1.0
55.05501	2.4
57.07069	36.1
67.83567	0.9
69.07067	3.1
69.53683	1.0
71.08624	24.5
71.45070	1.0
73.06541	7.1
78.59048	1.0
83.08632	2.3
85.10172	16.9
87.04456	6.4
89.06023	100.0
90.02025	1.0
91.60704	0.9
97.10162	3.8
99.11737	3.6
101.57555	0.9
107.07076	2.9
111.11718	3.1
112.24868	1.0
115.69366	1.0
117.09088	7.9
130.08633	1.5
133.07582	2.4
133.08592	47.3
135.10185	1.4
169.19521	3.5
177.11212	20.0
213.22121	2.3
221.13815	3.1
239.14919	1.4
257.24710	4.8
263.30527	1.0
283.17349	1.4
301.27374	3.4
310.85422	1.2
327.19968	1.8
415.25525	5.1
583.44031	4.3
600.46167	1.4
601.27368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79315	1.9
56.96567	3.5
62.69434	1.9
67.05506	2.5
68.99791	3.2
81.03416	2.4
81.69134	1.9
98.97586	5.3
103.05466	15.7
131.04910	41.4
132.05225	3.2
134.99648	2.5
147.04417	2.3
151.03842	4.7
165.01767	2.2
165.09151	2.3
193.87051	2.1
212.00117	2.1
269.04611	2.2
270.28735	2.8
272.94070	1.9
273.07553	4.2
310.01367	2.4
327.01627	4.0
337.00171	2.9
342.00354	2.4
345.02753	14.5
353.03384	9.3
355.01154	5.9
356.01993	4.8
360.01923	2.3
369.99814	7.8
371.04309	11.6
373.02319	35.5
374.02917	12.6
388.00784	4.9
389.05426	100.0
390.05978	3.8
391.03342	7.4
392.04129	4.5
407.06528	27.7
412.06720	5.3
413.05344	3.7
431.06360	7.0
466.56674	2.6
497.06970	3.9
506.79431	2.2
515.08649	22.6
525.10425	2.1
533.09052	3.3
539.08459	18.1
557.11115	9.6
565.12860	4.0
569.09045	4.0
601.09222	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	601.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
56.02637	0.6
65.03938	1.6
68.99787	1.3
69.03427	1.2
69.10426	1.7
69.10830	1.6
86.36894	0.4
87.04475	3.9
88.19897	0.5
89.06040	0.9
90.13707	0.5
90.66174	0.5
99.00861	0.6
99.04420	0.6
100.01596	1.6
109.02865	0.7
111.04458	1.7
112.01577	1.6
119.04939	1.1
119.08615	0.7
121.02866	33.0
121.03954	2.9
122.03180	0.6
123.00758	0.9
126.48315	0.5
127.00261	0.8
129.56676	0.4
139.01578	1.7
140.01031	1.8
147.04474	2.0
148.05194	0.7
155.03419	1.5
160.05130	0.6
163.03938	0.9
168.00526	5.6
169.01297	4.1
174.03165	1.2
175.03963	1.1
176.04686	1.7
180.07631	0.6
183.02888	11.7
183.04381	0.9
184.03232	0.6
186.01588	8.4
187.03894	1.0
188.04753	2.1
199.03943	1.2
200.04721	0.6
201.03932	7.1
203.03360	1.1
215.03406	1.6
216.04100	2.8
226.02872	0.5
227.03351	2.4
244.03773	1.7
245.04395	0.8
253.05161	0.6
255.02844	3.3
271.02457	1.0
272.03229	1.3
273.03946	2.0
283.02338	2.4
298.73495	0.5
299.01801	0.7
299.05276	0.6
300.02750	6.7
301.03296	4.4
318.03714	1.2
327.01489	1.0
339.95773	0.6
345.07724	0.6
373.06900	0.9
389.06436	0.6
401.06482	1.7
405.06036	0.8
418.06812	36.8
419.07584	45.6
420.07852	2.4
445.05594	4.5
450.01996	0.6
557.29895	0.5
586.07214	1.1
600.27557	0.6
601.09729	100.0
601.27618	2.3
602.10034	6.3
607.99353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04050	0.9
51.02386	1.5
51.98495	0.8
53.03947	0.9
53.56717	0.8
55.01874	3.6
55.05519	0.9
55.22523	0.8
64.65550	1.0
67.05481	1.0
68.99791	43.4
69.00166	2.2
69.03439	0.9
69.56306	4.6
71.01000	0.9
71.01365	1.3
72.23651	1.0
77.03925	1.7
79.05482	7.9
79.05807	0.7
89.03953	1.1
91.05486	5.6
93.07011	1.0
95.04990	4.3
96.04494	15.5
97.02912	1.3
98.23454	1.9
98.60179	0.9
102.04658	1.0
103.05468	44.7
104.05749	1.3
105.03406	2.0
105.04529	1.5
105.07028	67.2
107.04938	5.9
109.02909	1.1
115.05453	11.7
118.04164	4.1
118.97131	0.9
123.00803	1.3
128.06248	0.9
129.07016	1.5
131.04926	98.9
132.05673	3.6
133.06491	48.4
134.06859	2.0
138.01884	3.3
139.00237	6.4
141.07014	1.1
143.05019	1.6
143.06047	3.6
147.04417	1.6
149.05946	2.0
150.05554	1.4
157.01334	3.1
157.06511	2.1
160.05235	1.8
161.05974	100.0
162.06398	1.9
163.07584	0.9
165.01834	1.5
166.01344	6.2
166.99741	6.2
167.01915	2.2
167.07011	1.1
168.00603	1.4
168.02940	1.0
169.01335	2.0
169.06435	1.2
173.06039	2.3
177.05492	2.9
178.01402	1.6
181.06479	1.4
182.51297	1.0
183.04367	1.6
184.02463	1.0
185.00806	66.2
185.06035	2.3
186.01575	1.8
187.03973	1.0
191.03487	1.1
191.07019	4.1
192.02972	2.9
192.07840	7.1
193.08601	95.9
197.04483	5.1
197.06055	1.8
209.00868	1.2
215.07060	2.7
225.05540	3.5
226.05724	1.1
241.04921	1.5
243.06491	2.3
253.04993	2.7
258.03903	5.1
260.05499	4.9
270.07535	8.3
271.05914	49.2
272.06583	2.4
295.06000	1.2
296.09262	2.4
304.04535	1.4
354.13968	1.2
362.10220	7.7
364.11731	2.6
370.30615	1.0
385.53928	0.9
390.09677	1.3
407.12286	4.9
408.10791	18.8
431.11545	3.5
433.05832	2.0
443.20926	2.1
446.58386	1.0
447.06122	1.3
453.12979	7.8
457.83401	1.2
463.14911	3.5
497.08258	1.6
537.11755	2.7
547.10083	2.5
547.27026	1.7
565.27533	2.0
601.14642	3.6
602.29260	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04872	0.4
55.05495	0.4
65.03922	0.6
69.03392	0.8
81.03407	0.4
81.07045	0.6
85.02909	0.8
91.05508	0.8
93.07036	0.7
97.02865	0.7
107.08628	0.4
109.02866	0.5
112.51688	0.5
119.04920	1.2
119.08569	0.4
121.02853	6.2
127.03922	0.8
147.04402	2.8
150.11519	0.4
153.01846	1.4
169.01114	0.4
183.02902	0.6
195.09972	0.5
203.05177	0.7
205.12154	0.5
243.04634	2.8
245.06310	3.8
271.06216	1.9
285.03949	1.9
286.04639	1.0
287.03708	4.6
289.05276	5.3
300.06323	0.7
301.07065	1.2
301.21735	1.2
302.07852	0.6
303.01437	0.7
310.04269	0.5
311.05469	0.7
317.20923	0.9
319.22797	0.5
321.03830	0.4
335.21912	1.2
337.23395	7.1
350.04309	0.5
353.06558	0.6
353.22928	5.1
404.07806	0.7
417.02420	0.6
419.11572	1.2
421.05243	2.4
422.05453	0.5
439.19342	1.3
446.17090	0.5
447.17688	0.6
478.19571	0.7
481.07785	1.9
515.28345	2.9
539.28284	0.7
541.11273	1.8
557.29303	27.1
558.29547	1.0
569.10419	0.9
569.23633	0.5
570.10535	0.5
583.26941	3.3
601.12665	3.4
601.28217	100.0
602.28571	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	601.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.7
67.80322	0.2
78.03455	0.5
80.05009	2.5
81.07034	0.3
81.42654	0.3
93.07014	0.3
96.04488	2.5
97.02909	0.3
98.22665	1.0
105.07018	0.4
111.04454	0.3
119.08573	1.0
124.03944	100.0
125.03527	0.4
125.04304	4.4
143.08530	0.4
145.10130	0.3
155.07021	0.6
157.10126	0.3
159.11703	0.4
169.10124	0.4
171.11694	0.4
173.13257	0.3
197.13272	0.7
207.11664	0.4
207.70316	0.3
225.16200	0.2
235.14758	0.7
249.16272	0.3
257.47119	0.3
295.16812	0.3
313.17789	1.6
314.34198	0.3
514.24005	1.6
556.25446	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
53.03954	2.0
53.58353	0.7
55.05511	7.3
57.07075	5.3
59.04992	2.9
62.92603	0.7
63.86080	0.7
65.03931	2.4
67.05500	11.4
68.05804	0.8
68.67982	0.8
69.03422	5.8
69.07069	7.6
71.04987	2.0
71.08617	1.9
71.42702	0.7
73.02909	1.8
73.06559	1.1
77.03921	1.8
79.05481	18.4
80.05833	0.9
80.75483	0.7
81.07050	15.4
83.04978	7.3
83.08606	7.0
85.06554	1.8
87.04473	4.5
89.06028	15.6
90.06335	1.6
91.05476	23.2
93.07043	29.4
95.04964	11.9
95.08607	16.3
96.08949	1.1
97.06528	4.5
99.03210	1.1
103.05466	4.5
105.04509	2.6
105.07025	100.0
106.07346	8.5
107.04893	0.9
107.08587	26.6
108.08871	1.2
109.06524	6.0
109.10148	12.8
111.08086	2.1
111.11717	1.7
113.09631	1.8
115.05447	2.5
116.06255	1.7
117.07012	8.5
117.09120	2.0
119.04931	0.9
119.06030	0.8
119.08574	34.5
120.08915	0.8
121.06491	6.2
121.10143	26.8
122.10468	1.5
123.08067	5.3
123.11692	3.4
125.05962	1.3
125.09618	5.8
127.01553	5.4
128.06224	4.3
129.07018	5.9
130.07756	2.9
131.08568	18.9
133.06494	1.7
133.08595	8.1
133.10124	21.1
134.10460	1.2
135.08064	5.0
135.11658	7.1
136.12070	0.8
137.09607	4.3
139.11171	2.6
141.06978	3.2
142.07791	8.9
143.05873	1.1
143.08566	14.2
144.09406	3.9
145.06488	1.3
145.10120	25.9
146.10435	1.7
147.08043	5.1
147.11667	8.1
148.12267	0.9
149.09634	7.1
149.13245	1.0
151.07495	1.7
151.11179	1.0
153.03113	7.1
153.06981	1.4
155.05946	1.1
155.08559	7.0
155.10658	1.7
156.09355	6.6
157.10121	19.9
158.10799	3.4
159.08051	5.7
159.11681	16.7
160.12016	1.5
161.09587	5.4
161.13251	2.9
162.09886	0.9
163.11186	3.0
165.07054	3.2
165.09097	3.5
166.07675	0.9
167.08569	2.5
167.10664	20.0
167.14326	0.9
168.09296	1.8
169.10097	11.5
170.10870	2.4
171.11670	12.6
172.08791	0.8
172.12285	1.6
173.09604	2.6
173.13278	7.7
175.11172	3.8
175.14772	5.1
177.11215	2.6
178.11606	1.0
179.08582	4.3
180.09297	1.9
181.10112	7.0
181.12212	2.3
182.10846	4.4
182.12305	0.9
183.11667	9.2
184.12392	1.7
185.09608	1.6
185.13252	6.4
187.11145	2.4
187.14754	3.7
189.12639	1.6
191.14374	2.0
192.09250	1.3
193.08528	0.8
193.10051	4.6
193.11823	0.8
194.10837	3.7
195.11699	8.9
196.12427	3.8
197.05676	1.3
197.09621	1.2
197.13222	8.7
198.13721	1.5
199.11130	2.4
199.14781	5.0
201.12813	2.2
201.16354	1.5
203.14296	2.1
204.09300	0.9
205.10007	0.9
206.10857	1.9
207.11716	6.3
207.13493	1.3
208.12389	3.0
209.13280	8.6
209.15181	1.4
210.13890	2.6
211.14822	5.3
212.15120	0.9
213.12746	2.2
213.16322	1.9
215.14304	2.3
217.10124	1.1
217.15828	1.3
219.11748	1.2
219.13785	1.0
220.12424	1.9
221.13228	4.7
221.15378	5.2
222.13797	1.6
223.11281	0.9
223.14813	6.6
224.15233	1.1
225.12694	3.0
225.16351	2.8
226.13089	0.9
227.14391	0.9
231.11580	1.8
232.12413	1.3
233.13203	1.9
233.15335	11.3
234.13847	1.2
234.15973	1.2
235.14801	2.8
236.15334	1.3
237.16339	3.0
239.14330	1.1
239.17879	2.1
241.15802	1.1
244.12300	0.8
245.13200	2.3
246.14011	1.4
247.14755	3.2
249.16351	3.6
250.16904	0.9
251.14291	2.9
251.17943	1.6
252.14761	1.3
253.19397	0.9
255.17381	1.7
257.19061	1.5
259.14761	1.5
261.16339	2.9
263.17923	2.2
267.17743	0.9
269.18903	3.3
272.15616	0.9
273.18588	0.9
275.17816	1.9
275.20496	1.0
277.19464	1.3
281.19098	1.0
287.20282	1.2
289.19437	1.0
291.20798	0.9
295.20569	1.7
297.22205	1.5
299.20163	1.1
349.24686	0.8
405.90930	0.8
565.40454	2.2
583.41406	1.4
600.82544	2.5
601.42151	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01869	2.3
55.05507	14.7
57.07074	11.0
59.04996	4.7
59.87148	2.0
65.03922	4.8
67.02922	2.0
67.05502	25.2
69.03413	7.6
69.07059	18.1
70.71436	3.2
71.04972	3.8
71.08618	3.8
77.03931	3.9
77.69248	1.6
79.05481	26.2
79.64191	1.7
80.05807	2.0
81.07044	33.8
83.04965	12.4
83.08605	10.9
85.06516	6.0
85.10158	3.3
89.06023	13.7
91.05468	41.0
92.05804	2.7
93.07034	50.2
94.07346	3.3
95.04957	19.6
95.08591	24.6
95.09149	2.9
97.06529	10.1
97.10172	2.8
103.05451	3.9
105.04590	1.8
105.07021	100.0
106.07352	6.2
107.08580	49.0
108.08904	3.8
109.06536	11.8
109.07180	2.4
109.10149	24.2
110.10489	1.8
111.08081	4.7
113.09637	4.6
115.05464	4.0
116.06258	2.0
117.07018	13.7
119.08568	61.7
120.08857	3.2
121.06498	11.0
121.10130	56.4
122.10475	3.2
123.08074	9.5
123.11679	6.9
125.09596	9.7
128.06244	9.0
129.06987	10.4
130.07852	4.3
131.07019	2.3
131.08554	27.6
132.08885	2.6
133.08566	5.2
133.10115	36.3
134.10460	3.7
135.08040	12.7
135.11682	14.3
137.09607	5.8
139.01498	2.3
139.11218	4.5
141.06985	6.3
142.07777	15.5
143.08553	27.9
144.09351	8.6
145.06467	3.7
145.10107	48.3
146.07245	2.1
146.10489	5.6
147.08028	8.4
147.11682	18.8
148.12042	1.9
149.09583	15.6
149.13257	3.8
151.07504	2.5
151.11223	2.5
154.07770	4.2
155.08572	11.8
155.10645	3.5
156.09363	11.2
157.10132	41.1
158.10768	6.5
159.08031	12.9
159.11691	30.2
160.08664	2.0
160.12070	4.9
161.09627	11.5
161.13254	5.4
163.11176	5.7
165.06956	3.3
165.09097	6.2
166.07776	1.8
167.08545	9.5
167.10658	45.7
168.09337	2.5
168.11018	2.2
169.10126	19.2
170.10738	5.3
171.11705	29.5
172.12218	4.9
172.65852	2.0
173.09595	6.2
173.13234	22.4
174.13643	3.0
175.11192	6.5
175.14772	9.1
179.08582	7.3
180.09351	4.5
181.10094	14.1
181.12161	4.9
182.10812	5.9
183.08014	2.1
183.11646	17.8
184.12164	2.7
185.09590	2.8
185.13181	13.4
186.13777	3.2
187.11116	2.4
187.14772	8.9
189.12766	7.3
191.14247	4.7
192.09360	2.1
193.10123	11.4
194.10745	4.4
195.11652	13.8
196.12315	6.4
197.13217	20.1
198.13773	4.9
199.11168	5.2
199.14777	8.5
201.12750	3.9
201.16252	3.3
203.14218	5.1
205.10136	2.4
206.10808	3.6
207.11777	11.3
207.13536	2.1
208.12317	6.3
209.13287	18.0
209.15163	3.3
210.13799	6.1
211.11189	3.5
211.14760	13.8
212.15216	3.2
213.12607	5.4
213.16412	4.2
215.14098	4.7
217.10123	2.2
217.15904	3.5
219.11713	3.7
220.12372	3.7
221.13179	6.8
221.15320	10.5
222.13805	4.1
222.15784	2.0
223.11185	2.2
223.14743	11.7
224.15379	3.1
225.12625	3.6
225.16356	5.8
227.14342	5.7
231.11696	3.4
232.12532	3.8
233.13274	4.1
233.15343	15.7
234.15947	4.5
235.14784	8.0
236.15669	2.4
237.16338	6.6
239.17989	3.2
241.15781	3.2
245.13214	3.2
246.13879	3.3
247.14764	5.3
248.15208	2.8
249.16307	5.4
251.17903	4.6
255.17471	6.2
256.17874	3.9
257.19211	2.9
261.16388	2.8
263.17883	4.6
265.19482	4.7
269.18973	5.6
273.18579	2.5
275.17688	3.9
283.20554	3.9
285.18604	3.3
287.20187	2.5
289.19254	2.9
297.21985	2.8
299.20026	4.3
343.24368	2.4
349.25208	2.2
401.42801	2.2
491.35306	2.7
509.35126	2.2
565.40143	3.7
583.41003	3.1
601.41693	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95891	3.2
55.05526	5.8
57.07069	8.5
57.44989	3.3
59.04985	4.6
67.05502	14.4
69.03418	5.7
69.07055	6.9
79.05495	10.3
81.07072	19.2
89.06040	8.0
91.05476	19.6
93.07035	37.6
95.04989	10.0
95.08611	17.2
104.81335	3.6
105.07024	41.4
107.04927	3.6
107.08587	17.4
109.06528	10.3
109.10164	8.5
109.41918	3.9
117.07018	12.1
119.08572	44.6
121.06461	5.3
121.10140	20.9
123.08057	15.2
125.06047	5.0
129.07045	6.7
131.08574	25.7
133.08522	3.7
133.10100	22.6
133.85509	4.2
135.08018	11.9
135.11746	4.8
137.09628	10.2
142.07747	8.5
143.08554	13.0
145.10123	30.8
145.43452	3.3
147.08015	25.6
147.11652	6.7
149.09634	4.9
151.07556	11.4
155.08516	8.5
156.09308	6.5
157.10153	19.2
159.11731	19.2
161.13245	8.0
163.11194	12.9
165.09117	49.1
169.10060	7.7
171.11682	14.1
173.09592	4.1
173.13196	7.9
175.11163	4.9
181.10077	4.1
181.12268	10.4
183.11668	9.6
185.13246	6.9
187.14824	7.4
189.12772	5.6
195.11754	5.7
196.12328	4.1
197.13263	10.4
203.14291	17.2
207.11728	4.8
207.13849	5.8
209.13228	11.8
211.14772	7.0
213.16389	4.5
221.13278	9.1
221.15367	100.0
222.15683	10.2
223.14912	5.9
247.17030	7.2
248.17317	4.4
267.69812	3.8
287.19977	6.5
299.20068	4.7
301.21884	5.6
364.56519	4.5
367.26340	5.7
393.27597	4.9
491.35159	11.0
521.36017	7.9
583.41168	9.0
601.42200	42.9
601.52728	4.9
601.54352	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05515	5.5
57.07074	7.0
59.05004	2.6
61.28439	1.0
65.03944	2.5
66.42140	1.0
67.05499	10.3
69.03426	6.9
69.07066	5.9
77.03956	0.9
79.05495	11.1
80.90359	0.9
81.03382	1.2
81.07049	20.3
83.04996	3.8
83.08622	2.8
85.06563	3.5
91.05473	19.6
93.07034	37.0
94.07342	1.0
95.04958	8.5
95.08600	19.2
97.06548	2.6
98.24430	1.0
103.05451	1.3
105.04562	1.0
105.07024	35.2
107.08582	19.1
109.06493	7.4
109.10146	8.8
109.13848	1.0
111.08089	3.0
115.05446	1.5
116.06217	1.3
117.07012	9.8
119.08577	42.1
120.08910	1.5
121.06499	5.8
121.10131	23.5
121.10980	1.4
122.07303	1.2
123.04260	0.9
123.08058	13.1
123.11722	2.6
125.06007	4.4
128.06238	3.3
129.07010	6.9
130.07802	3.3
131.08565	15.7
133.06519	3.1
133.10118	20.9
135.08035	10.0
135.11673	6.2
137.09602	13.7
139.07510	1.2
139.26471	0.9
141.07004	2.6
142.07785	7.0
143.08559	14.4
144.09341	4.6
145.06520	1.5
145.10109	28.1
145.11220	1.7
146.10724	0.9
147.08028	24.1
147.09146	1.4
147.11662	7.4
149.09641	5.1
149.13260	1.0
151.07541	14.4
153.07130	1.2
155.08540	5.9
156.09363	5.3
157.10121	16.6
158.10602	1.2
159.08063	3.3
159.11670	17.4
161.09633	5.4
161.13258	5.8
163.11192	9.2
163.14772	1.1
165.07031	2.2
165.09102	45.9
166.09499	1.6
167.08600	3.6
168.09381	1.6
169.10130	9.9
170.10922	3.3
171.11670	13.6
172.12321	1.8
173.09708	2.7
173.13223	7.3
174.10271	0.9
175.11238	3.9
175.14818	6.3
177.09105	1.9
179.08545	2.5
179.10663	1.8
180.09373	2.0
181.10193	4.2
181.12152	9.4
182.10889	2.7
183.11707	7.9
185.09680	2.8
185.13217	7.5
187.11258	1.1
187.14798	5.7
189.12712	6.1
191.10741	2.2
191.14243	2.0
192.11417	1.1
193.10236	2.9
193.12157	1.6
194.10930	2.6
195.11720	6.8
195.13469	1.2
196.12468	2.1
197.13213	6.7
199.11150	1.4
199.14807	2.3
201.12738	1.7
201.16467	1.1
203.14278	17.1
203.15947	1.1
207.11708	3.4
207.13866	7.5
208.12544	1.3
209.13300	7.2
209.15213	1.9
210.10460	1.2
211.14816	5.3
213.12709	1.1
213.16414	2.1
219.11786	1.8
221.13327	4.8
221.15338	100.0
222.13847	1.4
222.15707	5.4
223.14838	2.7
225.12947	1.1
225.16447	2.3
229.16034	1.0
233.13237	2.6
233.15401	1.5
234.14174	1.3
234.16154	1.3
235.14841	2.5
235.16893	1.3
237.16389	2.2
245.13309	1.3
247.17038	3.7
249.16429	2.0
251.14311	1.4
261.16412	1.3
263.17889	1.3
265.19534	1.2
283.20563	1.5
285.18768	1.6
286.19354	1.9
287.20151	5.1
289.19394	1.2
297.22150	1.8
299.20169	2.7
300.20865	3.7
301.21652	3.8
311.20096	1.1
312.20959	1.6
313.21582	2.2
319.20773	1.1
325.21628	1.4
326.22110	1.1
327.22870	1.1
341.24451	1.7
352.24042	2.5
353.24634	2.3
365.24844	1.6
367.26282	8.6
375.27020	1.8
377.24826	1.5
378.25577	1.5
393.27811	3.1
399.29333	1.1
403.29999	1.7
421.30298	1.1
441.29892	2.3
455.31848	1.2
464.32999	1.2
491.35211	11.7
492.34860	1.2
509.35986	4.6
521.35931	5.5
565.40063	1.3
583.41388	12.4
601.42493	31.6
602.42920	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	602.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
52.01910	1.8
53.00329	1.0
65.03946	2.8
65.76517	0.9
68.99811	3.0
71.19751	1.2
77.03950	1.0
79.05494	5.1
91.05473	28.1
92.01388	4.1
92.99774	3.1
95.04983	4.8
103.05470	5.8
104.01414	1.9
105.03443	1.0
105.04532	2.8
107.04947	72.6
108.29002	0.9
119.04929	28.9
121.06529	1.4
122.02376	1.2
127.73336	0.8
129.60660	0.9
131.04915	13.4
131.05737	1.0
132.00810	1.4
135.04404	36.3
136.04700	0.9
137.02368	3.6
138.01863	1.0
147.04411	5.0
148.00313	3.3
160.00346	2.7
161.02324	1.0
163.03893	100.0
164.04276	1.1
166.01392	2.2
171.04443	3.2
172.00307	2.4
173.01138	4.0
175.04056	2.0
178.01355	8.5
178.02559	0.8
180.02975	1.1
187.03906	4.5
189.05463	2.2
190.01385	2.1
191.03392	5.9
192.02940	1.5
199.99858	2.6
200.03510	1.4
200.13525	0.9
201.05568	1.1
202.01334	15.0
204.02888	1.9
205.05013	1.1
208.02612	1.0
215.03374	6.4
216.03046	1.5
217.05130	1.4
218.00850	10.2
219.01514	1.6
220.02408	1.7
222.00410	3.7
222.05557	1.2
224.06921	0.9
225.47694	1.0
226.04878	1.5
227.99280	1.4
230.00795	8.3
234.05698	1.0
236.01860	1.6
236.07137	1.4
238.05057	1.0
240.01443	1.7
241.05086	1.0
243.02919	1.8
246.00397	1.8
247.01161	1.9
248.01927	6.4
249.99847	4.8
250.05106	1.1
251.04195	1.2
254.04645	1.1
255.98880	1.9
256.02463	0.9
258.00372	4.2
258.19025	1.0
260.01950	1.2
261.02713	1.6
262.03503	3.4
264.06607	2.2
266.02921	2.1
268.00870	29.6
270.07657	2.2
273.99817	16.8
276.01477	4.0
278.04547	1.9
282.03827	1.0
282.07672	3.3
288.01376	12.8
289.02094	4.6
292.00861	44.4
293.01117	1.7
304.05951	1.1
306.02396	33.8
306.07806	2.3
307.03000	2.5
320.05484	1.1
322.03503	3.7
323.04184	1.2
326.06671	2.2
334.07034	1.9
340.08365	1.8
346.03461	1.4
348.05017	3.7
350.02875	3.3
352.08157	4.3
354.06064	12.6
362.06506	2.2
364.04437	1.3
366.09723	12.4
374.02942	2.3
376.04453	3.1
378.01706	6.3
378.06622	7.5
379.06912	1.6
380.07745	1.7
386.02951	1.9
390.06168	1.7
392.07660	68.4
393.08209	9.8
394.09387	2.2
402.02414	2.6
403.03427	1.1
404.03854	1.8
408.07062	1.7
420.03586	1.6
430.01828	6.4
438.04642	1.3
440.10532	1.0
452.11203	2.7
454.09268	3.7
466.04517	2.0
480.11057	4.2
482.08456	11.0
496.10034	1.8
507.09317	1.4
508.10455	4.5
510.11743	3.6
514.11084	3.6
524.09900	6.3
526.11322	2.2
528.13098	2.5
538.11505	5.9
540.12653	1.0
552.09308	12.1
556.12335	4.5
566.10767	11.5
570.10406	3.1
584.11865	32.8
585.11951	1.9
602.13385	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	602.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
52.01887	1.4
53.00307	1.2
65.03928	1.8
68.99782	1.9
69.06223	5.9
69.15525	0.7
77.03944	0.9
79.05485	3.2
82.81168	0.9
91.05473	20.6
92.01358	1.8
92.99761	1.8
95.04954	3.4
103.05470	3.2
104.01380	1.4
105.04532	2.4
107.04947	55.1
119.04940	24.4
131.04910	12.0
135.04408	31.7
137.02354	3.4
137.61078	0.7
138.01849	0.8
147.04376	7.1
148.00278	3.9
160.00307	1.9
161.02374	1.9
161.05969	0.9
163.03891	100.0
164.04272	1.4
166.01399	2.3
171.04416	3.0
172.00314	1.5
173.01099	2.8
173.02396	1.4
175.03902	1.8
175.99841	1.5
178.01329	6.0
185.03139	1.1
187.03888	2.5
189.02892	1.0
189.05441	3.2
190.01309	1.3
191.03345	6.2
192.02927	1.8
198.05719	0.9
199.03885	1.2
199.99763	2.5
200.03441	1.1
202.01300	9.2
204.02931	1.7
205.05008	2.3
215.03386	6.6
216.02931	1.7
217.02475	2.5
218.00838	6.3
219.01451	1.1
222.00258	4.0
222.05524	0.9
227.99303	1.1
230.00827	7.1
231.98714	0.9
236.07089	1.0
237.34795	0.8
243.02769	1.7
247.01074	1.3
248.01839	5.3
249.99893	7.5
254.04544	1.1
255.98833	2.4
258.00424	3.8
260.01703	1.1
261.02658	1.8
262.03445	3.2
264.06750	1.7
266.03033	2.8
268.00848	28.2
269.01102	0.9
270.07672	2.1
273.99796	17.9
275.00510	1.3
276.01389	3.0
278.04391	1.4
282.07596	3.6
285.99887	1.0
288.01331	11.5
289.02060	4.6
292.00842	29.2
292.05872	1.6
293.01288	0.9
306.02386	27.6
306.07840	1.5
307.03305	0.9
320.05457	0.9
322.03290	2.2
326.06573	1.9
333.06207	1.1
334.07086	2.3
336.04996	1.5
340.08209	3.1
348.05081	3.7
350.02945	3.3
350.06598	0.8
352.08173	3.5
354.06042	14.2
362.02603	1.1
362.06689	1.7
363.37076	0.9
366.09689	8.2
374.02878	1.7
376.04459	2.4
378.01724	4.5
378.06305	9.1
379.06656	2.3
380.07489	1.3
386.02914	1.4
390.05972	1.9
392.07654	69.5
393.08209	9.1
394.09366	2.3
402.02121	2.2
403.02750	1.1
404.03937	2.3
420.03531	1.6
430.01752	4.6
448.02661	1.1
452.11411	4.4
454.08987	2.8
472.10043	1.0
480.05023	2.1
480.10764	3.0
482.08588	13.4
483.08493	1.2
496.10156	2.2
498.09482	3.5
500.09979	1.0
507.09122	1.3
508.09964	3.0
510.12286	3.9
514.11212	3.4
524.09570	7.9
525.10034	1.0
526.11292	2.8
528.12732	2.1
534.08508	0.9
538.11157	4.9
540.12543	1.0
542.10614	1.0
552.09167	12.5
556.12433	3.9
566.10785	12.5
570.10284	3.1
584.11871	37.8
585.11633	2.1
602.15430	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	602.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63046	0.7
63.03754	0.8
68.99792	1.0
80.21210	0.9
81.04533	1.8
86.13107	0.7
92.43659	0.7
93.04520	8.2
95.02456	0.9
103.05470	4.7
105.04528	3.5
109.04017	3.5
113.03463	1.4
118.04064	0.9
121.04001	1.7
121.06505	1.5
131.04918	14.4
133.04068	0.8
153.01886	2.0
159.04330	1.9
161.03471	1.4
162.13765	0.8
177.03026	2.8
178.01335	9.8
179.03494	2.2
187.03680	0.9
189.02940	33.5
190.01358	1.9
201.03043	3.1
204.03014	1.0
206.00821	1.1
208.02434	3.3
214.02502	3.8
215.03252	1.9
217.02434	57.7
218.00870	1.9
220.02499	1.6
225.05530	1.6
229.02423	5.8
235.03526	1.7
240.04243	1.1
242.01848	5.4
242.05716	1.3
243.02855	3.5
251.08165	1.1
255.06628	1.8
256.03537	2.5
257.08185	3.5
260.02054	1.4
261.03882	2.7
268.00931	1.8
268.03589	2.0
270.04926	3.7
282.05060	1.6
282.07712	5.1
285.99969	1.6
298.04602	1.0
322.07248	1.5
326.04196	3.1
338.04160	2.9
354.06161	1.0
366.03830	3.0
368.06119	0.9
372.09927	1.3
374.11325	1.9
377.00443	1.3
394.02963	11.0
400.09216	2.1
402.11118	0.9
428.08957	1.7
430.10229	3.6
442.10489	1.9
456.08115	1.0
470.09967	2.5
498.09290	61.3
499.09619	4.1
507.67728	1.0
516.10370	3.2
562.08069	1.1
598.09497	1.0
602.15552	100.0
603.16077	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	602.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.5
51.02378	0.6
53.03940	0.4
55.01866	0.3
57.03413	0.3
57.07064	0.2
68.99783	0.8
69.03423	2.7
70.06583	0.5
71.01353	0.2
71.04977	0.5
71.26361	0.1
72.82529	0.1
73.02893	0.1
78.03443	2.4
79.05479	0.2
81.03401	2.4
81.03837	0.2
83.04960	0.2
85.02898	2.9
85.57504	0.1
87.00818	1.5
87.04453	0.3
88.07633	0.4
91.05487	0.5
93.07056	0.3
95.04954	0.3
96.04483	100.0
97.02882	4.6
97.04805	0.8
99.04443	1.3
101.02367	0.3
102.09197	0.2
103.05461	1.2
105.01871	0.8
105.03403	0.2
105.07040	0.3
107.04955	0.6
109.02865	1.7
115.03940	0.1
115.05471	0.3
119.04917	1.1
120.40157	0.1
121.06493	0.8
124.01492	0.1
125.02341	0.8
127.03027	0.2
127.03909	2.9
128.03415	0.2
131.04913	2.8
132.05280	0.3
133.06503	0.3
135.08047	0.4
136.07538	1.6
145.04948	1.0
145.06534	0.1
147.04381	2.5
149.02325	0.7
149.05972	1.5
153.54761	0.1
155.04861	0.1
160.01865	0.1
161.05971	0.2
163.03909	0.4
171.02966	0.2
171.04434	0.2
173.05942	0.3
177.05450	0.1
178.01282	0.2
187.03899	0.3
189.05421	0.3
193.04974	0.6
199.04018	0.1
200.04707	0.2
200.20045	0.9
205.09450	0.2
217.04924	1.1
219.06294	0.1
231.04979	1.1
237.07486	0.2
241.04912	0.1
257.07938	0.3
259.09641	1.9
269.07907	0.1
270.05121	0.3
271.05765	0.1
278.15930	0.2
285.07602	0.3
306.02234	0.2
306.53146	0.1
341.06406	0.2
354.13345	3.0
364.04068	0.1
385.08972	0.2
392.07550	0.3
429.11652	0.4
498.09692	0.2
510.04306	0.1
566.10461	0.2
584.11578	0.2
602.18219	3.6
602.29114	1.4
603.18109	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	602.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.3
50.02732	0.1
50.37449	0.1
50.81609	0.2
51.02376	0.9
53.03951	0.8
55.01857	1.0
55.05491	0.2
56.21360	0.1
57.03420	0.5
59.04994	0.2
61.02914	0.6
65.03925	0.2
67.05483	0.6
68.99790	0.8
69.03064	0.3
69.03424	4.6
71.01356	0.2
71.04985	0.4
71.43674	0.2
73.02907	0.8
78.03446	2.2
79.05492	0.3
81.03413	4.3
81.03891	0.2
81.07048	0.5
83.04967	0.4
84.04499	0.2
85.02896	6.6
87.00822	2.6
89.06033	0.3
91.03976	0.2
91.05473	0.5
93.07040	0.6
95.04952	0.4
95.08602	0.4
96.04483	100.0
97.02878	2.5
97.04773	0.7
99.04447	1.6
103.03937	0.4
105.01852	1.9
105.06985	0.2
107.04939	0.3
107.08605	0.2
109.02870	4.5
110.34535	0.1
114.03721	0.2
115.03917	0.2
117.01835	0.4
119.04953	0.5
121.02837	0.2
121.06544	0.3
121.10114	0.2
124.03947	1.2
125.02344	0.9
127.03902	6.2
128.61566	0.2
129.01863	0.7
130.04938	0.1
131.99626	0.1
136.07571	2.1
145.04947	2.1
147.02870	0.4
147.04399	1.3
149.05986	1.4
158.85774	0.2
159.02885	2.3
168.02895	0.3
177.04002	0.2
187.06029	0.5
189.05516	0.4
213.03885	0.3
217.05000	0.5
224.11055	0.6
231.04929	1.4
235.08015	0.2
238.33737	0.2
242.12160	1.2
259.09662	1.9
344.14108	0.3
350.88531	0.2
352.23016	0.4
354.13318	4.1
354.17538	0.3
455.25711	3.3
488.28491	0.2
516.18372	0.3
602.18579	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	602.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
52.51925	0.2
53.03949	0.6
55.01860	0.5
57.03426	0.6
57.73171	0.2
61.02921	0.6
68.99785	0.5
69.03426	3.7
69.37372	0.8
70.95708	0.1
71.04972	0.4
73.02913	0.4
75.22647	0.2
78.03451	2.5
81.03412	2.8
83.01366	0.2
83.04953	0.2
85.02900	6.1
87.00813	2.1
89.63339	0.1
90.54211	0.1
91.05482	0.3
93.07042	0.4
96.04486	100.0
97.02876	1.5
97.04799	1.5
99.04454	1.2
100.78285	0.2
103.03944	0.3
105.01884	1.0
107.04914	0.2
109.02173	0.3
109.02875	3.3
109.03555	0.3
117.01909	0.3
119.04920	0.3
121.06501	0.3
121.54356	0.2
125.02347	0.5
127.03915	4.4
129.01852	0.5
131.04939	0.2
135.08067	0.2
136.07561	1.5
140.05814	0.2
145.04979	1.2
147.02876	0.4
147.04382	1.0
149.05930	1.2
159.02895	1.2
189.04015	0.2
213.03922	0.2
217.04819	0.9
231.04935	1.0
259.09601	0.8
352.22549	0.2
354.13318	2.8
355.14178	0.2
558.19415	0.4
602.18622	5.1
603.18762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.2
55.01876	0.1
64.99059	0.1
65.03924	0.5
69.03422	0.3
69.34848	0.2
69.35235	0.5
70.75483	0.1
73.80522	0.1
75.86732	0.1
76.01881	0.2
79.05495	0.1
81.03412	1.2
85.02913	0.5
91.05470	0.4
94.02905	0.6
95.04923	0.2
98.22714	0.3
103.05434	0.3
103.55937	0.2
105.07012	0.4
107.04936	2.5
109.02876	4.1
109.42504	0.1
110.02378	0.2
111.04416	0.2
112.03959	100.0
113.04303	0.7
114.62241	0.1
115.05459	0.3
117.07024	1.5
119.04951	1.1
121.03986	0.2
121.06482	0.5
127.03900	0.4
128.06227	0.5
129.06992	0.2
131.04912	0.5
133.06461	0.4
134.07259	1.0
135.08035	1.8
145.06465	1.0
152.07059	3.1
155.06036	0.3
157.06512	0.4
173.05980	3.7
201.05446	4.6
202.05826	0.1
206.25684	0.1
215.06876	0.1
235.03166	0.1
243.10117	3.0
264.19940	0.1
274.09201	0.5
316.10260	0.3
324.08545	0.2
336.38712	0.1
354.13330	16.5
355.13757	0.5
360.09204	5.3
361.09534	0.2
428.69656	0.2
516.18793	0.4
558.19598	0.7
602.18579	5.4
603.19073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.3
53.03938	0.9
55.01859	0.9
57.03423	0.9
61.02917	0.6
65.36238	0.2
66.10978	0.2
68.99790	0.5
69.03064	0.4
69.03426	5.8
71.04988	0.4
73.02906	0.6
76.01864	0.3
80.98452	0.2
81.02958	0.4
81.03414	5.9
85.02900	7.8
87.00831	2.9
91.03954	0.4
91.05494	0.3
94.02936	0.7
95.04994	0.2
96.04487	4.1
97.02899	2.2
99.04446	1.9
103.03923	0.4
103.05457	0.5
105.01852	1.7
107.04967	0.7
109.02876	6.3
112.03961	100.0
113.04316	0.4
115.03968	0.3
115.05431	0.2
117.01858	0.4
117.07030	0.2
119.04948	0.8
121.06439	0.2
124.07600	0.3
127.03913	7.3
129.01849	0.6
131.04936	1.3
134.07263	0.9
135.08063	0.7
141.22221	0.2
145.04948	1.7
145.06499	0.3
147.02856	0.3
149.06027	0.2
152.07062	4.2
159.02884	2.3
173.06032	0.2
177.04057	0.2
187.03896	0.6
187.06018	0.5
201.05379	2.0
213.03708	0.2
231.05064	1.0
243.10194	1.6
354.13333	24.0
355.13742	0.9
359.71457	0.2
416.07739	0.5
552.12726	0.9
558.19592	0.3
602.18524	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	602.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.2
53.03932	0.5
53.49870	0.1
55.01854	0.5
57.03424	0.3
58.30192	0.1
61.02912	0.5
63.46257	0.1
68.99784	0.5
69.03422	3.1
70.06586	0.2
71.04967	0.4
73.02905	0.5
73.29869	0.1
76.01868	0.4
81.02966	0.1
81.03405	3.2
81.07029	0.1
84.04495	0.3
85.02897	4.9
87.00828	1.6
87.04486	0.2
91.05479	0.4
94.02910	0.6
95.04974	0.2
96.04486	1.6
97.02887	1.6
99.04424	0.9
103.03922	0.4
103.05443	0.8
105.01865	0.9
105.04520	0.2
105.07027	0.3
107.04924	0.3
109.02872	2.8
109.03625	0.1
110.02471	0.2
111.03175	0.2
112.03954	100.0
113.04285	0.8
115.05396	0.1
117.01807	0.2
117.07013	0.5
119.04913	0.2
120.37315	0.1
121.06503	1.1
127.03902	4.1
129.01810	0.5
131.04927	1.6
131.23824	0.2
132.05269	0.2
135.08081	0.3
145.04958	1.0
145.06473	0.3
147.02885	0.2
147.04453	0.2
149.06042	0.1
152.07048	3.0
159.02867	1.0
173.05984	0.7
178.01358	0.2
187.03908	0.2
187.06020	0.6
201.05463	0.8
220.02452	0.3
231.05048	0.5
241.05003	0.2
243.10095	0.3
282.07678	0.3
285.07813	0.1
354.13345	5.1
355.13815	0.2
416.07562	0.4
516.18732	0.2
552.13037	0.3
558.19415	0.6
602.18585	5.5
603.19299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.4
51.02376	0.7
53.03956	0.5
55.01867	0.4
57.03434	0.5
57.07078	0.2
58.06606	0.2
65.68529	0.2
68.99781	1.0
69.03430	3.7
69.10251	0.5
69.10667	0.8
70.06602	1.1
70.66222	0.2
71.01341	0.2
71.04990	0.3
73.02911	0.2
78.03461	2.6
79.05502	0.2
81.03417	3.7
83.01351	0.2
85.02908	4.3
87.00835	2.4
87.04469	0.2
88.07631	1.5
91.05474	0.6
93.07043	0.4
95.04955	0.5
96.04492	100.0
97.02893	5.6
97.04833	0.8
99.04472	1.3
101.02388	0.3
102.09217	0.8
103.05470	2.3
104.05831	0.7
105.01859	1.5
105.03397	0.3
105.07050	0.6
107.04953	0.5
109.02879	2.8
111.00828	0.2
115.05466	0.3
119.04950	0.7
121.06524	0.2
122.02733	0.2
125.02376	0.7
127.03915	3.7
129.01839	0.2
129.07028	0.2
131.04933	4.7
132.05254	1.0
133.06503	0.4
134.07297	0.2
135.08089	0.3
136.07568	1.7
145.04961	1.6
147.04367	1.5
149.02341	2.0
149.03439	0.3
149.05977	1.6
155.34111	0.2
159.02887	0.4
161.06000	0.5
185.00815	0.7
187.06102	0.3
189.05574	0.3
193.04976	2.5
193.08606	0.3
196.46004	0.2
200.20103	3.5
217.02792	0.2
217.05023	0.6
231.05014	1.2
237.07561	0.8
259.09665	2.5
261.05878	0.2
269.08090	0.2
271.06107	0.6
272.06384	0.4
297.03937	0.2
341.06558	0.8
354.13370	6.7
355.13770	0.4
359.07349	0.2
385.09283	1.4
408.11688	0.3
409.11203	0.4
429.11832	1.4
498.09012	0.4
499.06226	0.2
528.13110	0.2
538.12048	0.3
602.18268	2.8
602.29376	5.6
603.12256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.5
69.03416	0.6
69.57153	0.8
69.57541	1.1
70.06573	0.9
72.08135	0.9
78.04706	1.9
79.05487	2.5
84.04490	0.9
84.08147	0.6
85.02894	1.8
86.09705	3.6
86.10757	0.4
91.05474	1.6
95.04960	1.2
97.02872	0.5
103.05460	3.4
105.07034	4.0
106.04101	0.5
107.04955	6.8
115.05447	1.6
117.07047	0.8
119.04945	0.9
121.06531	1.2
123.04435	5.1
124.05243	2.4
124.05981	0.4
125.13045	0.5
127.03910	0.8
129.06972	0.8
131.04919	6.8
131.08539	0.9
133.06508	5.5
134.03667	0.8
135.04329	0.5
135.08099	1.2
137.05948	2.6
141.06963	0.5
143.08513	0.6
144.05724	1.4
145.06482	2.5
147.04424	1.9
147.08095	0.7
151.03889	1.0
151.07530	3.9
152.04671	1.7
153.05505	0.6
155.08488	0.5
157.06462	0.6
158.07265	0.9
159.08064	1.1
161.05977	5.4
163.07527	11.6
167.07036	100.0
168.07355	2.0
173.05954	1.2
173.09569	1.2
175.07576	1.7
177.09152	3.0
179.07011	3.9
180.08739	0.7
181.08595	5.1
187.07562	3.3
189.09131	0.6
192.07845	0.7
193.08600	15.9
201.09109	1.6
203.08614	0.6
205.08522	1.2
207.10100	0.8
217.08746	0.6
219.10191	2.2
233.11699	3.6
237.11253	3.5
251.12753	2.0
263.10828	1.2
291.10318	0.9
295.13162	0.9
321.32236	0.5
323.12790	2.5
355.15390	13.5
387.18063	11.0
405.19086	23.8
406.19226	1.1
489.20123	0.6
544.37537	0.5
623.79449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78176	1.9
51.07283	1.6
51.34105	1.7
51.59211	1.5
55.05510	7.4
57.03429	14.4
59.04996	6.6
61.02929	8.1
62.36824	1.8
67.01624	1.6
67.05514	4.4
69.03425	52.8
69.07066	36.7
70.92020	2.9
73.02915	5.1
79.05514	2.1
81.03408	6.5
81.07044	4.0
83.08601	2.0
85.02901	100.0
85.78374	1.6
87.04462	36.5
89.06024	20.7
91.03977	4.1
91.05497	2.0
93.07027	3.1
95.08598	3.8
97.02257	3.1
97.02892	59.6
99.04470	5.7
104.31470	1.5
105.07063	4.3
107.08618	3.0
109.02856	7.0
109.10144	5.1
111.11707	17.8
115.03922	65.8
117.09105	2.0
119.08557	8.3
121.02893	2.5
127.03922	19.1
131.06995	2.4
133.03947	3.5
133.04962	67.6
133.08606	7.0
133.10147	5.5
138.05568	1.8
138.82643	1.6
145.04956	41.5
147.11711	1.7
150.07573	3.9
155.08562	1.7
159.11740	5.1
163.06013	27.7
164.94334	2.0
166.08943	2.1
169.10120	14.2
177.11211	2.4
184.54898	1.8
188.10353	4.9
197.13060	1.8
226.02835	1.7
239.17935	7.4
241.07143	2.6
243.15903	3.3
259.08157	7.2
277.09262	2.3
295.10294	5.2
301.21576	2.9
316.56479	1.8
319.22583	9.4
325.11298	4.0
414.84985	1.7
602.41571	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	602.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01867	4.8
55.05502	2.7
57.03436	10.8
57.07062	0.6
59.04993	1.3
61.02925	9.3
67.05507	1.3
69.03428	26.1
69.07063	10.7
69.30044	4.0
71.01344	2.0
71.04986	2.3
73.02912	27.8
81.03417	6.8
83.04972	0.8
85.02901	100.0
86.03186	0.8
87.04459	3.8
89.06647	0.7
91.03963	3.6
95.05021	0.8
97.02890	46.9
99.04452	4.2
100.83376	0.7
103.03941	3.0
107.08556	0.8
109.02857	8.1
110.54654	0.7
111.11713	4.9
115.03924	14.8
119.25866	0.7
127.03908	29.4
133.04959	26.9
145.04951	47.3
151.03899	1.0
163.03961	1.4
163.06013	27.7
169.04996	0.8
181.04965	1.2
190.44487	0.9
193.04910	1.5
199.06020	1.7
217.07101	2.0
223.06000	5.5
225.14844	0.8
241.07095	6.0
243.16087	1.0
259.08145	10.7
277.09149	3.3
289.09210	1.3
295.10226	7.8
325.11285	5.0
627.94928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
54.67207	0.9
55.01865	6.3
55.05509	4.6
57.03432	13.4
59.04997	2.1
61.02919	10.5
63.74440	0.8
65.83651	0.8
67.05488	2.4
69.03426	31.3
69.07062	22.5
70.06590	1.4
70.23539	1.9
71.01347	3.0
71.04972	1.5
73.02914	29.1
81.03415	6.6
81.07063	1.3
83.01292	0.9
83.04990	1.2
83.13059	0.8
84.05118	0.9
85.02899	100.0
86.03265	1.0
87.04465	3.2
91.03949	4.1
91.05465	1.1
93.07024	1.6
95.04979	1.5
97.02888	54.5
99.04458	5.1
103.03938	3.6
106.11180	0.8
107.08543	0.8
109.02856	8.2
109.10148	1.3
111.11715	11.3
113.09578	0.9
115.03918	22.7
121.06490	1.1
123.04378	1.1
127.03903	32.4
131.04955	1.1
133.04948	31.1
145.04945	45.6
151.03854	1.1
163.06003	21.1
169.01334	1.1
169.04953	1.0
181.04958	1.4
182.48918	0.9
193.05072	0.9
195.13898	0.9
199.06042	2.0
219.39803	0.9
223.05898	5.5
241.07048	9.1
243.15790	1.6
259.08109	11.9
270.05106	1.8
271.05988	1.3
277.09140	2.5
285.07617	4.0
295.10220	7.3
308.79071	0.9
309.07382	1.4
325.11444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01864	7.0
55.05510	3.6
57.03438	14.0
59.04980	1.4
61.02925	10.0
67.05499	1.9
67.88814	1.1
69.03062	2.4
69.03426	31.8
69.06705	2.0
69.07065	25.3
69.80876	4.3
70.06586	2.8
71.01346	4.1
73.02916	32.8
81.03419	6.7
81.07054	1.7
85.02902	100.0
86.03226	1.9
87.04456	2.3
91.03944	4.0
95.08620	1.2
97.02888	50.9
98.23443	1.2
99.04446	3.3
100.64796	1.1
103.03934	3.7
103.05439	1.2
109.02896	7.7
111.04462	2.0
111.11723	14.2
113.47449	1.2
115.03930	22.4
121.10096	1.2
127.03904	28.9
131.04945	2.7
131.94734	1.4
133.04964	37.4
133.79626	1.3
139.03860	1.6
145.04950	49.3
147.04414	1.5
151.03802	2.0
163.06010	27.9
163.08052	1.6
169.01334	2.1
180.31349	1.1
217.06993	2.2
219.07587	1.2
222.88994	1.5
223.05984	6.2
225.14842	1.2
241.07091	8.7
243.15874	3.0
259.08145	14.6
270.05115	2.4
273.07608	2.2
277.09180	2.8
285.07529	2.3
295.10248	8.1
325.11090	2.9
431.94122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86155	1.1
53.03957	1.4
53.81003	1.0
55.01880	2.7
55.05510	2.7
57.03432	1.6
65.03942	1.3
67.05500	2.6
68.99789	1.3
69.03432	5.3
69.07063	1.9
69.08350	7.6
73.02909	2.0
79.05486	2.6
80.50649	1.0
81.03416	5.0
81.07066	3.4
83.04977	1.5
83.08627	1.1
85.02895	12.1
87.00836	6.0
89.06038	1.8
91.05497	1.6
93.07052	4.9
95.08599	4.7
96.04497	3.5
96.27085	1.0
97.02883	6.2
98.23508	2.7
99.04456	2.6
105.01873	4.8
105.07023	3.9
107.08610	4.9
109.02875	7.6
109.10157	2.9
111.04459	4.0
113.61475	1.1
113.88107	1.1
117.06977	1.2
119.04960	1.8
119.08603	6.8
121.02868	8.3
121.06577	1.0
121.10149	4.1
122.03219	2.0
127.03908	9.8
131.08533	2.0
133.10158	3.5
135.11694	2.2
145.04948	3.4
145.10138	3.1
147.04427	4.0
147.11685	2.2
148.04733	2.0
149.13286	3.0
157.10167	3.2
159.02916	3.2
159.11710	4.6
163.14793	1.9
169.10138	4.2
170.11179	1.3
171.11755	1.7
173.13283	2.1
183.02876	4.2
185.13306	1.4
187.14870	1.3
189.60268	1.1
191.10690	1.4
191.18042	1.9
197.13290	3.4
199.14830	1.3
205.12206	1.9
210.06709	1.3
217.12323	1.1
219.13853	1.8
231.05038	1.9
231.13786	3.2
232.01869	2.1
239.17932	2.2
243.04922	1.5
245.06404	2.9
245.15388	2.1
255.21153	3.4
259.16919	2.4
273.22141	2.6
283.20642	4.8
287.03821	3.4
288.04147	2.6
289.05402	3.3
290.05734	2.8
301.07025	1.2
301.21613	41.1
318.21375	1.4
319.22742	3.4
337.23495	2.3
338.23904	4.5
353.23236	2.0
354.23285	3.2
394.06024	1.3
404.07758	7.4
422.05881	1.6
423.06906	1.1
482.08041	1.6
487.79636	1.3
516.28845	2.3
541.15155	1.2
542.12030	2.7
558.29590	23.9
570.11115	2.0
584.26807	2.1
601.28113	1.9
602.13312	4.0
602.28577	100.0
603.29736	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	602.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.0
55.01873	11.8
55.05507	10.6
57.03426	5.4
57.07068	2.4
59.73869	1.3
59.95438	1.3
61.02921	3.9
63.78409	1.3
67.05503	10.6
68.99787	4.5
69.03429	37.0
69.07069	18.2
71.04982	5.3
73.02917	8.1
79.05501	8.5
80.84219	1.6
81.02956	2.9
81.03420	38.2
81.07052	15.5
83.04974	3.8
83.08623	4.0
85.00246	1.5
85.02903	79.4
87.00832	32.6
91.03963	1.8
91.05481	8.2
91.05976	1.7
93.07053	20.3
95.04955	3.3
95.08603	30.5
97.02895	34.3
97.06541	2.0
97.10163	2.5
99.04448	17.3
105.01858	24.3
105.07024	17.3
107.08585	21.6
109.02876	42.7
109.10157	17.1
111.04446	13.8
111.08047	1.9
111.11713	9.1
117.01865	4.7
117.07045	3.3
119.08574	25.6
121.02879	1.9
121.06481	1.7
121.10140	21.7
123.08035	2.8
123.11707	8.6
127.03915	65.8
129.01857	5.0
129.06999	3.2
131.08575	9.1
133.10121	15.8
135.08109	2.0
135.11711	12.4
137.09590	3.7
140.07141	1.7
142.07745	1.6
143.08549	6.5
144.09364	1.8
145.04945	28.9
145.10109	13.5
147.02858	3.3
147.11690	8.7
148.07547	2.8
149.05977	1.6
149.07896	1.8
149.13248	10.8
153.09094	2.6
155.08521	1.7
156.09383	3.5
157.10132	10.6
158.10892	1.7
159.02870	17.2
159.11655	16.4
161.09589	1.8
161.13235	9.2
163.03966	1.4
163.07602	2.1
163.11127	2.9
163.14830	12.3
169.10106	3.4
171.10297	2.4
171.11664	11.4
173.13269	6.7
175.14810	2.9
177.16348	2.8
181.12361	1.8
183.11720	3.6
185.13278	11.0
187.11076	3.2
187.14853	5.5
189.03874	2.0
189.12752	2.1
189.16371	5.2
191.10614	3.6
191.17926	11.8
193.12221	2.5
195.11646	2.1
199.11227	2.9
199.14830	6.1
201.12825	2.5
201.16397	4.7
203.10616	2.1
203.18005	6.4
205.12267	6.8
209.13258	3.4
213.03976	2.8
213.12750	3.1
213.16434	3.9
215.17892	2.4
217.12251	4.4
219.13850	3.6
227.14275	3.3
227.17824	1.8
231.04991	18.0
231.13756	7.1
238.10757	2.5
239.11603	2.1
239.18010	2.9
241.19485	5.3
245.15387	5.5
249.06039	1.7
255.21066	18.9
257.22617	2.3
259.16803	3.0
263.16446	2.5
265.19550	7.8
266.13504	2.0
273.22220	8.5
279.11224	6.0
280.11536	7.1
283.20554	32.7
291.23129	2.6
297.12335	5.0
298.12769	4.1
301.21606	100.0
302.21902	3.0
309.12268	2.3
310.12723	3.0
317.21027	1.9
319.22668	89.5
320.22998	3.0
337.11697	3.8
337.23669	10.6
338.12189	9.9
339.13376	8.7
340.13745	7.6
404.07642	10.0
460.18704	2.1
461.18961	5.5
479.20016	4.7
481.20602	1.8
549.26770	12.5
567.27850	11.8
602.26965	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	602.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
56.05019	0.6
56.05974	0.6
56.62374	0.7
58.06592	1.6
60.08163	7.1
62.12312	0.6
67.05494	2.2
69.07066	1.4
69.87346	0.5
70.93443	1.0
71.07372	4.8
72.43911	0.6
73.36126	0.6
77.13000	0.6
79.05487	0.9
81.07046	2.2
84.66282	0.7
86.09705	22.4
91.05527	0.9
93.07005	0.8
94.69450	0.6
95.08607	1.4
98.98456	0.7
102.09155	1.2
103.05497	0.6
104.10740	100.0
109.10139	0.8
125.00005	2.8
125.06709	0.6
131.04941	1.8
156.97517	2.2
163.01489	0.7
164.97981	0.9
169.04401	0.6
174.98553	2.2
181.65036	0.7
182.99052	10.9
189.02992	0.6
194.98990	0.8
198.98634	0.7
201.00104	14.3
208.93112	0.9
209.00595	1.0
210.94672	1.1
213.00125	1.4
217.02480	0.9
221.00575	1.0
225.00073	2.3
228.32997	0.7
239.01701	6.3
240.09985	3.7
243.01030	4.1
265.89252	0.5
266.06387	2.2
268.00473	1.0
281.02725	0.7
283.99600	0.8
284.07455	4.6
303.21600	1.5
321.22928	3.8
324.10309	0.8
339.23984	1.4
457.22061	2.2
483.23724	1.5
486.28320	2.8
490.79196	0.7
498.08969	1.3
502.32950	1.1
542.31274	4.0
584.31958	1.3
602.15436	2.8
602.32990	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	603.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08702	0.2
63.19910	0.2
65.03938	0.5
68.99793	0.4
69.03413	0.3
71.41499	0.2
73.50712	0.2
85.02884	0.2
91.05489	0.3
95.08600	0.2
96.53037	0.2
97.02909	0.2
105.07033	0.2
111.04430	0.5
112.01583	0.2
115.05438	0.2
119.04922	0.3
119.08591	0.3
121.02863	6.9
121.03957	0.5
124.03960	0.4
127.40166	0.2
131.08562	0.2
132.01237	0.2
140.01062	0.3
145.02815	0.4
147.04413	0.7
163.03928	0.7
168.00545	1.8
171.04449	0.2
173.05901	0.2
175.03886	0.3
183.02884	4.5
183.04286	0.2
185.02321	0.2
186.01541	1.4
187.14798	0.3
189.01801	0.4
193.27748	0.2
201.05553	0.3
203.03409	1.0
207.02824	0.4
211.03876	0.3
213.01877	1.4
215.03517	0.3
227.03387	0.6
229.04959	0.5
231.02884	3.0
239.03378	0.8
241.01309	1.0
243.03003	0.4
253.05162	0.2
255.02985	0.7
257.00867	0.8
257.04404	1.2
259.02374	5.4
273.03918	2.0
275.06866	0.2
285.00894	0.3
285.03857	2.6
287.01846	17.9
288.02277	0.4
291.12109	0.3
331.06067	0.3
349.07056	0.3
353.08542	0.3
359.05490	0.4
360.05698	0.2
373.07031	0.4
375.08334	0.2
377.06537	0.8
387.04877	0.2
395.07678	0.2
396.35522	0.2
403.07925	0.4
405.06024	100.0
406.06345	4.4
421.09106	5.2
427.26556	0.3
447.06931	0.8
448.07208	0.2
603.11029	5.8
603.20441	2.5
603.36896	1.8
604.11456	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	603.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03896	0.4
68.99746	0.2
69.95868	0.3
69.96234	0.4
93.54295	0.2
98.23428	0.2
111.04379	0.3
112.01498	0.2
114.90021	0.2
119.04886	0.2
121.02863	8.8
121.03850	0.6
122.03168	0.1
135.04309	0.2
140.00998	0.3
145.02786	0.3
147.04305	0.6
150.19728	0.2
163.03818	0.5
168.00574	2.2
168.67821	0.2
169.01233	0.2
175.03824	0.2
183.02896	4.7
183.04379	0.2
185.02260	0.2
186.01587	1.7
187.03818	0.4
189.01814	0.4
191.03287	0.2
199.03784	0.2
201.05476	0.2
203.03365	1.1
207.02884	0.2
211.03824	0.5
213.01805	1.5
227.03462	1.0
229.04872	0.5
231.02885	3.0
239.03316	0.6
241.01263	1.1
243.02812	0.5
255.02885	1.3
257.00708	0.4
257.04483	1.0
259.02368	4.8
267.02798	0.4
273.03928	2.1
283.02161	0.3
285.03882	3.1
287.01849	19.4
288.02139	0.4
331.06024	0.4
337.34109	0.2
347.05981	0.2
349.06815	0.4
359.05624	0.4
373.07117	0.6
377.06454	0.7
395.07373	0.4
403.08005	0.5
405.06030	100.0
406.06415	3.5
421.09183	5.1
447.07031	0.9
603.11328	9.0
603.19916	0.5
604.11652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.3
68.99757	0.3
69.03385	0.2
86.70178	0.1
91.05444	0.2
98.23414	0.3
111.04421	0.3
112.01556	0.2
114.26311	0.1
119.04898	0.2
121.02862	8.0
121.03862	0.5
127.00298	0.1
130.89606	0.1
131.53302	0.1
135.04347	0.1
137.02370	0.1
140.01013	0.2
145.02826	0.3
147.04356	0.7
155.04767	0.1
157.02840	0.1
159.16020	0.1
161.02306	0.1
163.03883	0.5
167.99266	0.2
168.00539	1.9
171.04329	0.2
175.03992	0.3
183.02887	4.8
183.04341	0.3
185.02284	0.2
186.01559	1.5
189.01749	0.5
191.03369	0.2
199.03830	0.2
201.02080	0.2
201.03860	0.2
201.05478	0.4
202.87077	0.1
203.03372	1.1
207.02881	0.3
211.03882	0.4
213.01822	1.6
215.03418	0.3
227.03404	0.6
229.04919	0.6
231.00552	0.1
231.02866	2.9
232.02934	0.1
239.03355	0.5
241.01346	1.2
243.02826	0.6
255.02878	0.7
257.00800	0.8
257.04416	1.0
259.02368	5.0
267.03006	0.2
273.03946	1.7
285.00546	0.2
285.03915	3.1
286.03888	0.4
287.01846	18.3
288.02206	0.5
331.06027	0.3
345.07443	0.2
349.07013	0.4
359.05551	0.4
373.07028	0.2
377.06528	0.6
387.05261	0.2
395.07446	0.3
399.48795	0.1
403.08505	0.3
404.04996	0.2
405.06018	100.0
406.06198	3.1
421.09186	6.3
421.15125	0.2
422.09634	0.3
447.07037	0.6
559.31226	0.2
602.27393	0.1
603.11298	4.8
603.30908	0.6
604.12268	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	603.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03869	0.4
68.99721	0.4
69.17355	0.8
87.98519	0.1
91.05384	0.2
100.01498	0.2
108.32569	0.1
111.04349	0.4
112.01490	0.4
114.96287	0.1
115.66316	0.1
119.04850	0.2
119.08498	0.2
121.02859	8.1
121.03812	0.7
127.03841	0.2
140.00983	0.4
145.02750	0.3
147.04298	0.7
147.05321	0.2
163.03847	0.5
167.99286	0.2
168.00536	2.1
173.05771	0.2
175.03807	0.3
183.02870	4.8
185.02335	0.2
186.01581	1.8
187.03801	0.3
189.01726	0.5
190.02145	0.1
191.03302	0.2
199.03906	0.2
201.05399	0.4
203.03394	1.2
207.02866	0.2
211.03877	0.7
213.01799	1.2
215.03198	0.3
217.04843	0.2
227.03412	1.0
229.04970	0.9
231.02884	2.1
239.03371	0.8
241.01263	0.9
243.02849	0.4
253.04919	0.2
255.02850	0.8
257.00729	0.7
257.04431	1.2
259.02368	4.5
267.02628	0.2
273.03903	2.5
283.02182	0.2
285.00632	0.2
285.03885	3.5
286.04407	0.2
287.01846	17.6
288.02130	0.5
305.02942	0.2
331.06082	0.3
345.07501	0.4
349.06992	0.4
359.05466	0.3
360.05954	0.2
373.07065	0.5
377.06433	0.5
395.07693	0.3
403.08069	0.5
404.05103	0.3
405.06009	100.0
406.06345	4.2
421.09146	7.3
422.09460	0.3
427.26733	0.5
447.07050	0.8
474.59958	0.2
505.07968	0.2
511.35455	0.2
602.27875	0.1
602.42755	1.0
603.11285	6.9
603.20288	0.3
603.42566	0.4
604.11395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38388	0.3
58.46983	0.3
59.79573	0.3
64.11480	0.4
69.19096	1.8
85.02899	0.6
97.95773	0.3
105.93372	0.3
112.89766	0.3
121.02883	0.5
129.77315	0.4
155.38634	0.3
185.04234	1.6
199.46559	0.4
254.42819	0.4
269.08203	0.4
293.72363	0.5
304.33478	0.4
309.09589	0.5
339.10489	0.6
380.56262	0.3
399.10880	0.4
405.06079	0.9
425.12051	1.0
440.14609	1.3
441.15292	3.6
566.42542	0.5
594.60736	0.4
603.20453	100.0
604.20782	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	603.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90558	0.4
52.92833	0.4
63.11879	0.4
67.05500	0.9
69.07079	0.4
79.05491	0.7
81.03437	0.8
81.07062	0.7
87.04453	0.7
89.06033	1.4
91.05520	0.8
93.07021	0.4
95.08575	0.7
105.07021	2.8
107.08572	0.6
119.08613	1.3
119.79430	0.4
121.10171	0.7
122.23508	0.4
124.03944	1.1
143.08591	0.6
144.81412	0.5
145.10138	1.0
145.52277	0.4
151.07327	1.3
157.10085	0.5
159.11821	0.5
165.07059	0.5
167.06754	0.6
169.10132	0.8
171.11684	0.7
195.06294	0.6
197.09995	0.5
208.45906	0.5
213.07326	20.8
214.07539	0.7
215.14406	0.4
221.13629	0.5
235.14937	0.7
264.49631	0.5
326.42963	0.4
353.16946	0.7
382.27792	0.6
413.19324	10.4
421.79504	0.5
505.68732	0.5
537.82410	0.5
590.49884	0.5
603.27704	100.0
604.27997	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	603.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31410	0.5
63.97023	0.5
67.05493	1.6
70.04189	1.4
73.02903	0.6
80.05008	2.8
81.07055	0.7
85.02888	0.5
87.04473	0.7
89.06014	1.5
91.05467	0.8
95.04922	0.7
95.08645	0.5
96.04492	8.0
97.04828	0.8
98.23392	0.6
105.07021	0.5
106.02921	1.0
106.06544	1.6
111.04409	0.5
119.08563	0.6
121.06505	1.3
124.03944	100.0
125.04323	0.9
127.01560	0.5
133.08580	1.0
153.03078	1.0
156.09375	0.6
201.12811	1.1
212.68552	0.5
223.14725	0.5
226.04059	0.6
230.90709	0.6
250.46446	0.5
251.14339	0.6
283.16858	0.6
311.16412	1.3
321.44888	0.5
329.17325	1.2
405.06149	1.2
455.25668	0.5
456.25735	1.3
530.23541	0.7
554.23877	2.7
572.24359	0.8
603.24493	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	604.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03464	2.6
66.38024	1.0
68.99809	1.7
71.41991	1.2
79.05473	5.7
91.05487	5.2
93.04530	2.2
94.02930	3.7
94.69636	1.1
95.04972	1.3
95.39734	1.0
96.16944	1.2
103.05460	19.9
105.03410	1.4
105.04528	1.6
105.07062	1.2
106.02888	2.0
107.04958	6.1
115.05464	5.1
121.06486	4.3
122.02380	10.5
131.04918	28.8
134.02399	1.6
138.01889	1.1
143.04887	2.9
147.04433	7.3
150.01828	10.2
152.04530	1.4
160.05072	1.2
162.01872	5.1
163.00305	2.8
163.05072	2.1
165.06993	1.8
166.01331	1.4
167.02142	3.0
174.01901	2.2
178.01369	4.6
180.02876	2.0
190.01334	32.0
192.02913	5.3
205.04950	10.3
208.02441	7.5
216.02957	2.0
218.00833	33.1
219.04030	12.1
220.02405	9.6
222.00348	1.5
229.02414	4.0
236.01881	44.4
238.08589	3.2
246.00333	45.1
247.00629	1.6
252.06517	1.3
264.01358	27.0
264.03931	2.2
266.08093	9.7
268.00848	6.8
270.07773	1.2
271.08432	1.9
274.00018	1.7
278.03006	12.5
280.05963	17.8
281.06210	1.2
282.07715	3.1
288.01636	1.2
288.05383	1.2
292.00916	1.4
294.07507	7.7
296.04047	2.5
306.02344	1.6
322.07074	4.0
333.08783	2.4
350.06537	35.4
351.06766	1.7
354.06033	5.9
355.06699	1.5
368.07651	29.6
368.11966	2.4
369.08249	1.7
380.07813	2.3
382.09180	100.0
383.09512	4.1
392.07626	1.6
394.05383	1.6
412.87823	1.5
468.07077	1.5
474.68286	1.4
554.10699	2.4
568.11981	3.9
570.95654	1.4
572.12714	6.0
586.14178	2.1
604.16821	17.0
605.16833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01917	4.4
58.68664	3.2
64.47120	2.9
66.03455	3.2
68.99821	3.5
72.06156	2.9
79.05491	5.9
91.05508	4.7
92.01373	6.5
92.99771	5.1
93.04538	13.4
94.02921	4.0
95.04993	3.4
95.06174	3.3
100.25733	2.7
103.05460	39.2
105.03427	6.3
105.07036	6.3
107.04974	6.5
115.05486	3.9
122.02393	7.4
131.04916	100.0
132.05292	5.9
138.01921	3.8
140.03468	5.2
148.00305	10.7
149.01079	38.7
149.02252	4.4
150.01785	6.8
162.01927	4.8
163.05130	3.8
166.01385	9.0
167.02185	9.2
168.02934	8.3
177.00620	9.9
178.01303	24.7
180.02951	3.0
185.03151	6.8
190.01347	21.4
191.04469	16.6
192.02971	3.8
195.01611	26.8
204.02866	16.2
206.00839	4.9
208.02423	10.8
218.00868	15.6
219.04028	19.5
220.02446	7.4
222.00336	4.9
229.02473	8.5
234.00398	8.9
236.01900	25.6
246.00345	14.0
249.99844	9.1
253.07370	3.6
263.05933	4.0
264.01443	14.5
266.08160	5.5
268.00833	81.7
271.08420	5.1
272.09210	8.4
276.01233	4.7
276.95865	3.5
278.02783	6.5
280.06030	23.1
281.06812	53.7
282.07422	10.0
294.07697	7.2
296.04346	3.8
310.07544	3.1
320.00421	3.2
320.05746	4.2
322.06967	4.9
337.05588	3.5
340.08130	8.3
348.05145	3.5
350.06534	10.9
353.08954	3.6
354.06024	72.5
354.09964	5.9
355.06815	40.8
368.07739	11.4
369.08337	30.1
380.07642	35.1
382.09174	63.9
382.13718	5.7
408.06802	3.7
410.08774	5.4
438.09082	4.1
442.12842	5.2
500.10623	4.4
512.13348	12.9
536.09296	4.3
586.14313	3.8
604.16980	35.8
605.18121	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	604.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26004	0.5
69.07256	2.7
69.07677	1.1
98.23565	1.0
103.05481	1.1
131.04918	2.4
133.06238	0.5
178.01355	0.9
203.36368	0.5
209.56281	0.6
218.00899	0.7
219.04001	1.6
269.33685	0.6
291.06180	0.9
304.05740	2.6
317.06442	1.0
318.07425	2.3
350.06970	0.7
381.17465	0.6
382.09402	0.6
424.07990	1.3
450.05997	1.8
466.09265	1.5
468.06851	15.2
486.07904	2.1
554.12103	2.0
572.13104	58.3
573.13348	3.9
604.15729	100.0
605.16132	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	604.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68817	0.5
70.68288	1.2
77.40355	0.5
77.80624	0.5
80.59551	0.6
103.05492	1.0
117.52759	0.6
129.28329	0.5
131.04898	1.1
160.97275	0.6
219.04144	0.9
273.98407	0.6
277.04962	0.7
304.05814	1.8
317.06638	0.9
318.07391	2.1
364.01077	0.7
372.08618	0.9
382.09616	0.8
440.07867	0.7
442.09137	0.9
450.05991	1.6
466.09079	1.2
468.06897	12.8
469.07495	0.7
485.73911	0.7
486.07901	3.4
488.69324	0.7
554.12030	2.4
572.13123	51.7
573.13641	2.7
604.15741	100.0
605.16071	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	604.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34995	0.1
53.03931	0.2
56.00978	0.1
63.02367	0.2
66.03444	0.1
68.04993	0.3
68.99751	0.7
69.03406	0.1
69.07043	0.4
71.43084	0.1
74.69940	0.1
77.03877	0.1
78.03425	0.2
79.05449	0.2
80.05005	0.3
81.04543	1.0
85.02897	0.1
86.88856	0.1
90.03406	0.2
91.05457	0.5
92.04977	0.1
93.04514	11.6
95.06077	7.0
96.04449	0.2
97.02862	0.1
103.05452	2.3
104.03690	0.5
105.03387	0.2
105.04491	0.7
105.06976	0.1
106.02929	0.2
106.05280	0.3
107.04951	0.2
107.06054	1.2
109.03971	0.8
110.02396	0.2
111.05554	0.2
113.03449	0.4
115.91476	0.1
116.80138	0.1
117.04469	0.2
118.02863	0.4
118.05295	0.2
119.06046	0.7
121.03973	3.3
122.02385	0.1
123.05527	1.1
124.03957	0.1
131.04913	4.6
132.03168	1.1
132.05281	0.1
133.03970	0.9
134.02391	0.8
134.04684	0.1
134.07115	0.1
135.04501	0.2
135.05527	2.4
138.01855	0.3
139.05003	6.0
140.03409	0.5
143.14290	0.5
145.03935	0.6
146.02336	1.0
146.04716	0.6
147.05475	0.5
148.03929	0.2
149.03450	0.3
150.01863	0.5
150.04233	0.8
151.07536	0.1
152.03470	0.2
154.01324	0.2
159.01917	0.2
161.03448	0.2
162.06595	0.3
163.05003	18.1
164.03400	0.2
164.05345	0.3
166.01357	0.6
167.02119	1.4
168.02898	2.5
173.03453	1.8
174.01862	3.8
174.04199	3.4
175.05048	1.2
176.03389	0.4
177.02911	1.0
178.01328	10.2
179.01526	0.1
180.02879	0.1
180.07964	0.1
183.01917	0.2
185.03123	0.6
187.05045	0.1
189.02914	4.2
190.03589	0.3
190.06264	0.1
191.04491	19.3
192.02902	0.9
192.04799	0.3
196.02409	0.7
197.08128	0.2
201.02933	1.2
202.01372	1.2
202.03712	5.3
203.04497	2.2
204.02849	0.2
208.18605	0.1
209.05447	0.1
215.04483	3.2
216.04329	0.1
217.02422	3.4
218.03481	0.1
218.05638	0.6
219.03973	100.0
220.02382	7.4
220.04332	1.4
221.02815	0.2
225.05397	0.3
228.03047	0.1
228.05331	0.2
229.02406	35.0
230.03156	3.5
230.05434	0.2
231.03969	6.2
235.08647	0.1
236.06844	0.4
237.05034	0.6
240.06607	0.2
241.02260	0.2
242.08182	0.1
243.04018	1.2
245.07161	0.2
247.03464	13.3
248.04109	0.5
249.05135	0.3
249.10175	0.1
254.05643	0.1
255.03931	0.2
256.02402	0.4
258.05142	0.1
260.06412	0.1
263.08145	0.2
264.06512	0.2
270.07776	0.1
271.08380	0.5
272.06644	0.1
272.09229	0.8
277.09665	0.1
281.09189	1.1
282.07578	5.2
284.06714	0.1
286.04565	0.2
291.07620	1.7
292.08359	0.3
293.09213	0.3
305.09195	0.3
306.09885	1.0
310.04401	0.3
323.02875	0.3
323.10214	8.6
324.01324	0.5
324.10776	0.2
328.05579	0.5
333.08640	18.3
334.09399	9.9
335.10159	2.5
341.03873	0.2
351.02533	0.2
352.00775	0.4
369.03586	0.2
379.01913	1.4
388.12866	0.1
396.04465	0.2
397.02957	0.2
410.19897	0.1
414.10800	0.2
428.07739	0.2
432.11856	0.8
434.20102	0.1
456.07220	0.5
473.09775	0.3
482.10028	0.1
483.08197	1.1
500.10803	8.2
501.10718	0.3
518.12030	0.3
532.13745	0.2
604.17023	79.6
605.17340	3.7
609.08661	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	604.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.2
57.03436	4.8
58.06599	13.1
58.06862	0.7
59.07379	3.8
60.08167	5.0
69.03381	0.3
69.47139	0.5
69.47526	0.6
70.06542	0.5
72.08135	0.4
73.02874	0.6
75.04478	3.6
81.07011	0.3
84.08112	0.5
85.02887	1.7
86.09651	0.6
87.04465	4.2
91.05487	1.0
93.05472	0.2
94.06528	0.5
97.02874	0.2
103.03915	0.5
105.05462	0.9
117.05527	0.2
119.04921	1.1
129.10199	0.2
130.08563	0.3
131.07047	1.3
137.05934	0.2
144.10175	1.2
147.04424	1.4
159.06476	0.3
162.11296	0.3
163.03827	0.2
167.07007	0.3
169.22336	0.2
175.03889	1.5
200.05826	0.2
207.06496	0.6
209.08107	0.2
236.14914	100.0
237.15266	1.9
245.23541	0.2
277.08249	0.2
289.08466	0.4
398.20172	2.5
399.20157	0.2
412.17746	0.4
424.17603	0.7
604.25848	14.8
605.26434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01870	5.2
57.03433	11.0
59.05003	1.1
61.02922	11.1
67.05500	1.1
68.32147	0.6
69.03427	28.0
69.03806	1.5
71.01337	2.1
71.04985	2.2
73.02911	28.7
81.03416	6.1
84.92561	0.6
85.02898	100.0
87.04459	4.4
91.03958	4.2
97.02885	49.3
98.22588	1.4
99.04403	4.1
103.03951	3.3
106.51493	0.7
107.08619	0.8
109.02870	8.9
115.03922	19.4
115.04707	1.2
119.04980	0.8
119.08549	0.8
119.13168	0.6
121.10237	0.8
123.04425	0.8
127.01563	4.3
127.03904	29.3
133.03949	1.5
133.04956	28.2
137.02310	0.7
137.06035	1.1
138.05434	1.5
139.01572	1.6
145.04947	49.7
145.10051	0.7
153.03096	6.6
157.04944	0.8
159.11653	1.2
163.06007	29.9
182.05003	1.0
193.04884	1.6
197.05757	2.2
211.06125	1.0
217.07153	1.9
219.02911	0.7
223.05980	3.9
241.06967	6.4
259.08099	11.6
277.09219	3.6
278.67386	0.7
289.09250	1.1
295.10242	6.8
302.31293	0.8
325.11337	5.1
357.09622	0.7
401.12198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08649	4.5
55.05493	5.9
57.00817	4.4
59.45463	3.8
59.47541	4.6
67.05494	13.0
69.03419	6.4
69.07056	9.6
70.06599	7.5
72.08133	6.6
79.05496	6.1
81.03378	8.5
81.07038	23.4
83.04985	7.9
85.02905	15.5
86.09700	4.5
87.00824	6.9
91.05485	13.6
93.07044	19.3
93.81455	4.5
95.08596	29.3
97.02905	7.1
97.06493	6.3
105.01865	11.8
105.07013	21.7
107.08598	20.6
108.16107	4.6
108.92228	4.5
109.02864	6.8
109.10149	15.9
115.05466	5.7
119.08585	31.6
121.10128	16.6
123.11753	7.5
127.03911	10.4
131.08542	11.6
133.10136	16.0
135.11679	8.4
143.08493	6.0
145.10118	20.3
147.11658	9.2
149.13249	6.7
157.10101	12.1
159.11661	33.5
161.13289	10.2
169.10190	7.6
171.11710	13.0
173.13213	9.5
183.11705	9.4
185.13255	10.6
187.14810	11.8
197.13144	14.5
199.14842	10.6
201.16507	4.9
211.14783	8.8
227.18018	4.8
231.05055	5.6
241.19460	7.5
267.21130	17.0
270.68912	4.8
285.22125	44.7
303.23148	100.0
304.23642	7.7
321.24225	15.2
323.87244	4.5
405.05975	5.4
421.05835	8.3
435.53461	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	604.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.8
56.05561	4.4
56.24071	5.0
67.05498	12.6
69.03416	11.0
69.07053	9.4
69.36356	13.5
69.36745	6.6
70.06586	5.7
73.55438	4.4
79.05486	8.7
81.07055	15.1
81.37302	4.3
83.04995	5.8
85.02887	12.2
86.09690	5.5
87.00833	9.5
91.05480	13.6
93.07038	20.0
95.08603	24.8
97.02900	8.0
97.06532	8.8
99.57000	4.4
105.01883	11.0
105.07031	18.6
107.08594	18.3
109.02931	6.0
109.10148	14.8
119.08566	26.5
121.02801	4.1
121.10168	12.4
123.11697	5.1
127.03922	6.3
131.08562	12.8
132.59174	4.7
133.10129	17.4
135.11696	7.6
137.02303	4.8
143.08566	9.0
145.04985	5.2
145.10104	19.5
147.11714	13.8
149.69406	4.7
151.03937	7.7
157.10158	11.1
159.11685	30.9
161.13246	8.7
169.10135	8.8
171.11630	10.6
173.13260	12.7
185.13260	7.9
197.13231	8.2
199.14780	8.5
200.79668	4.8
211.14967	6.2
213.16315	7.8
224.25156	4.5
225.16402	8.1
242.09074	4.6
257.18973	5.5
267.21045	19.2
285.22134	38.8
303.23193	100.0
303.79797	4.8
321.24225	13.3
383.80847	4.7
405.06042	5.4
475.12292	5.2
570.02380	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	604.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21683	0.1
57.03467	0.2
59.04988	0.6
69.03451	0.2
70.06577	0.2
71.42740	0.2
73.02901	0.3
73.06542	0.2
79.05458	0.2
81.07045	0.2
85.02895	0.3
87.04460	100.0
88.04786	0.8
89.06024	1.3
91.05493	0.2
97.02885	0.3
105.06999	0.2
106.02910	0.7
117.09127	0.5
119.08562	0.3
121.02880	0.2
121.06454	0.2
124.03954	0.8
127.03899	0.2
131.07025	2.5
133.04929	0.2
133.08611	0.7
147.04428	0.2
171.11781	0.2
175.09721	0.4
175.75432	0.2
177.11171	0.2
177.56213	0.2
193.10617	0.2
219.12231	2.2
219.14151	0.2
263.14929	0.3
266.06839	0.2
270.71075	0.2
360.62451	0.2
405.05865	0.4
406.06412	0.8
555.85394	0.2
604.08838	0.4
604.26349	0.2
604.35529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.0
70.06566	2.0
71.43338	2.6
81.03414	2.5
85.02915	5.7
91.05517	2.4
91.81540	1.6
93.03432	3.0
95.04929	1.7
97.02884	2.2
103.05468	9.0
105.55014	1.7
107.04958	2.6
109.02826	4.5
128.06177	5.1
129.06982	7.3
131.04936	30.1
133.02853	1.9
134.03618	1.9
141.07014	1.7
146.72386	1.7
151.03900	3.8
155.04913	3.9
161.02306	2.2
162.03006	2.2
163.03975	1.8
165.01875	1.9
173.02419	2.4
175.26959	1.9
176.01089	8.2
177.01820	5.2
179.03391	2.5
181.05009	2.4
187.03761	3.0
189.01871	12.3
190.02557	4.9
191.03432	7.0
194.02043	2.4
195.02945	9.5
201.01807	2.2
201.05434	3.4
203.03406	9.3
207.02867	9.6
217.04945	3.5
219.02956	7.7
219.06577	2.8
221.04361	4.1
229.04936	3.9
255.03014	3.0
257.04391	3.2
277.08560	2.3
278.09280	2.6
285.04001	2.2
286.06317	2.9
287.05548	6.9
289.08569	2.1
291.10062	6.2
293.08063	5.5
303.06622	2.8
303.09839	3.3
304.07382	11.7
305.08063	80.5
306.08749	10.0
307.09561	10.1
317.08105	51.9
318.08801	9.9
319.06241	2.8
319.09607	15.3
323.09094	5.5
328.10696	2.1
329.07953	5.9
330.08817	3.2
331.09543	28.1
332.06699	2.7
332.10437	8.1
333.07333	4.0
333.11163	4.5
335.09119	100.0
336.09613	2.4
343.09601	9.8
345.11237	15.7
347.09113	66.6
348.09445	2.1
349.10681	3.3
353.99387	2.2
355.09784	2.6
357.11011	12.1
359.09146	34.4
361.10739	26.0
365.10269	22.4
368.31595	2.1
371.09000	21.0
371.12909	1.7
373.10751	7.0
375.12369	11.9
377.10092	3.3
383.09094	4.3
385.10779	11.7
389.10187	59.9
390.10620	4.4
395.09094	2.7
397.10590	2.1
399.12640	2.7
401.10184	27.5
403.11914	3.0
413.10159	24.6
419.11255	44.7
425.10287	3.8
427.11633	2.6
431.11298	23.7
437.12399	40.9
443.11432	3.8
449.12317	35.1
450.12753	2.1
455.12183	6.0
467.13361	79.5
468.13632	3.2
473.12234	5.9
485.14255	14.2
491.13251	26.2
503.13297	3.2
509.14365	14.1
515.13391	6.3
521.14362	16.9
533.14484	27.9
539.15540	6.1
551.15460	24.2
552.15796	2.2
569.16461	18.7
575.31372	2.3
587.16992	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	605.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87281	0.9
68.05021	1.4
68.99802	2.0
69.32391	6.2
70.06591	11.7
88.78732	1.0
91.05434	1.1
94.02927	1.9
103.05463	3.5
105.07054	2.3
110.06057	1.4
120.04474	3.9
131.04916	9.9
138.01871	5.9
147.05505	4.0
147.06596	1.2
161.07106	2.5
162.05554	2.4
166.01361	7.9
174.05568	2.6
175.06372	1.9
177.12723	1.3
178.01430	1.5
178.99771	2.6
184.02423	1.7
188.03407	6.6
189.06668	4.3
190.05064	1.9
191.03336	2.5
197.00861	2.7
202.05006	2.7
203.05782	10.7
204.03027	3.7
204.06332	1.3
207.07614	1.2
215.86026	1.1
216.02980	4.4
217.04102	1.3
217.06171	5.0
218.00841	10.7
218.04521	3.0
219.04192	2.0
220.06029	11.8
221.05487	6.7
222.04103	1.1
225.05495	2.1
227.08284	1.1
230.00868	3.7
230.04477	20.3
230.06729	1.3
231.05231	37.3
232.05901	6.5
241.06125	1.7
243.07707	1.2
244.02538	1.5
245.05579	31.2
248.05521	7.6
249.06238	6.3
263.06638	25.9
264.06805	1.2
269.05542	2.8
270.07684	4.2
272.01962	6.3
281.05667	1.4
285.99869	2.6
292.09616	1.4
293.10675	1.2
295.03378	1.9
300.01349	5.8
304.00906	1.8
308.08917	1.8
322.07037	2.2
323.06693	3.6
324.12283	5.4
326.02945	1.5
328.00864	53.5
329.01123	1.4
334.10751	26.9
334.14554	2.1
335.11481	61.5
336.12064	10.2
337.04681	2.1
346.01996	9.4
349.11774	20.6
351.06223	3.0
368.04083	3.9
379.05719	12.6
390.06158	3.9
397.06262	1.2
432.07126	61.6
433.07455	2.6
465.11365	1.3
472.10193	10.3
483.11856	28.1
484.12143	2.6
501.12918	3.0
536.13354	59.3
537.13574	3.6
576.16534	16.0
578.43311	1.4
587.18005	26.3
588.18671	2.5
605.19147	100.0
606.19208	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	605.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	1.3
68.28223	1.1
69.97621	3.1
81.07057	1.4
85.78974	1.0
86.90866	1.1
89.06031	1.5
90.16664	1.1
95.04938	1.0
100.96094	1.1
101.25881	0.9
105.07042	1.6
115.07620	1.7
119.08559	1.9
121.02874	1.5
124.03945	10.9
145.10139	1.3
147.04424	1.5
148.07619	1.1
187.80110	1.1
211.83749	1.3
245.06166	1.4
268.70313	1.1
285.07669	2.0
289.02478	1.2
289.05325	4.6
301.07245	1.4
303.04944	1.3
313.91141	1.1
339.13318	1.5
339.19348	3.1
357.20255	2.2
367.12793	2.4
393.09457	2.2
407.27020	1.1
408.11740	19.9
409.12469	1.5
501.24402	4.7
519.25348	4.1
543.25458	14.2
561.26471	3.1
562.21301	1.8
587.24646	100.0
588.24835	4.6
593.16241	1.1
605.18982	34.0
605.25848	43.4
606.20160	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	605.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55028	0.9
55.05528	1.0
55.39409	1.0
57.07084	1.2
58.04188	1.0
61.51171	0.9
62.06105	1.0
73.02927	4.7
86.77045	1.1
87.04484	5.2
89.06022	7.3
97.02880	9.2
98.03240	1.2
102.06826	1.5
105.07020	1.7
108.19939	1.0
121.02879	1.7
124.03940	1.5
124.08085	1.2
127.01561	2.5
133.08577	5.1
138.05493	6.9
143.05840	1.5
150.05508	2.3
153.03133	4.5
187.08484	1.1
197.05688	1.3
273.21780	1.3
351.05597	1.0
357.26001	11.1
380.29532	1.0
385.25604	3.3
399.27094	2.6
429.29642	9.3
475.84283	1.1
501.30362	5.1
519.31372	24.8
521.94830	1.3
561.32452	94.2
562.33032	3.9
569.28943	5.4
605.31488	100.0
606.31702	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	605.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	10.2
55.33771	9.9
64.64328	7.4
66.80029	7.4
67.05502	11.2
67.97517	8.5
69.03415	9.1
69.07061	9.4
69.11832	28.8
69.12252	35.1
70.06574	10.7
79.05473	13.9
81.07047	26.6
85.02904	21.1
91.05482	15.7
91.93386	9.5
93.07021	14.0
95.08607	32.1
95.18019	8.9
105.07038	21.8
105.69314	8.2
107.08565	25.0
119.08562	21.0
121.10132	15.8
126.97674	8.2
128.85347	7.8
131.08514	12.3
133.10115	23.2
137.02330	33.3
142.09225	8.9
145.10135	31.9
147.04413	13.9
147.11670	18.1
159.11722	21.7
169.01363	15.2
171.11758	11.0
173.13246	27.4
185.13338	11.1
187.14789	18.4
215.14371	10.7
267.21124	28.0
285.22098	71.8
303.23135	62.6
321.24194	19.9
383.30661	10.4
421.05338	12.0
437.07523	26.6
605.08185	100.0
605.22858	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03172	2.4
56.47112	2.8
68.99794	16.3
69.82673	9.3
76.54106	2.6
83.81472	2.3
91.05476	4.8
92.01371	3.3
98.22689	4.5
101.02353	8.0
103.05470	31.8
115.03916	32.5
115.05447	4.4
119.03419	6.6
120.00875	3.0
121.06518	10.9
131.04919	100.0
134.02425	2.9
138.01878	6.7
143.03398	25.9
147.68362	2.7
148.00288	6.2
150.01904	3.0
153.89178	2.8
160.00298	2.6
166.01343	7.8
167.02069	4.5
168.02866	4.9
178.01346	90.3
185.11299	3.2
185.15074	2.6
190.01416	3.6
192.03008	2.8
196.02336	4.7
204.02837	2.9
208.02330	3.4
218.00876	4.8
220.02371	10.9
220.05980	4.4
222.00334	7.8
225.05527	3.7
228.02882	16.5
230.00873	6.1
240.01387	7.4
242.08211	3.3
246.04013	7.0
246.06570	2.8
248.01849	20.3
249.99828	6.4
264.01471	3.3
266.02933	27.8
268.00845	53.1
270.07605	22.7
271.08319	6.4
278.02817	3.3
282.07568	73.1
283.07816	4.1
292.00937	4.4
310.07080	4.7
318.03763	3.3
324.08612	20.7
324.12189	4.5
325.12512	4.3
326.06686	5.5
332.09149	6.4
334.01938	6.2
334.07166	5.4
336.04919	6.2
352.08173	47.3
354.06024	36.1
354.09845	5.2
378.06113	13.5
382.09204	18.0
410.08569	25.4
414.13480	13.5
424.10223	9.5
432.03992	3.2
438.08066	37.0
438.13376	27.1
440.11130	6.1
452.09619	8.4
456.14529	19.7
464.11505	2.9
510.11475	8.3
524.13214	10.9
542.14227	4.2
564.09589	3.3
605.26971	7.2
606.18439	6.1
606.27533	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03949	7.9
55.01870	10.1
57.03434	6.5
60.30000	0.9
61.02924	5.9
68.99782	4.0
69.03065	1.6
69.03427	27.4
69.03800	1.6
69.29604	1.1
69.55197	2.7
71.01361	1.9
71.04998	5.4
73.02911	15.5
81.03416	32.7
83.01351	1.2
85.02901	100.0
87.00828	40.3
87.04456	4.3
89.06022	2.4
91.03940	2.7
91.05468	1.3
95.01321	13.2
97.02892	41.4
99.00824	1.9
99.04457	16.4
101.02419	1.1
103.03936	3.2
105.01864	47.0
108.04504	1.3
109.02874	38.2
113.02348	2.1
115.03961	1.4
117.01842	4.4
121.02863	2.2
127.03913	79.7
128.04242	1.7
129.01842	5.4
133.08636	1.9
137.05959	6.4
138.05496	4.0
141.01817	21.1
145.04958	45.3
147.02885	6.1
148.05208	2.2
159.02879	38.0
161.06026	1.5
161.09627	1.5
175.07510	1.4
177.03949	4.0
177.08994	1.3
187.07556	1.1
189.03954	2.2
189.09090	11.1
201.09181	1.9
207.10126	2.3
213.04004	7.2
231.04994	28.7
231.10004	4.7
249.06001	7.3
255.10208	2.7
273.11212	6.8
389.07187	1.5
450.51160	1.0
509.14056	1.1
607.25653	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	606.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.8
54.41854	3.7
55.05499	4.6
62.72368	3.3
67.05494	6.5
69.07069	6.3
79.05482	9.5
81.07051	9.0
89.06026	6.5
91.05487	6.5
92.21898	3.4
92.37257	3.3
93.07019	11.8
95.04955	16.1
95.08598	11.7
98.22673	5.6
105.03387	100.0
105.04479	6.7
105.07013	23.5
107.08588	13.3
113.05302	3.6
117.06994	3.8
119.08543	10.2
121.06441	3.7
127.03986	4.4
131.08559	7.5
133.08588	4.9
133.10115	9.3
135.08040	8.8
137.05908	4.2
143.08572	8.7
145.10098	8.6
147.11702	5.2
149.09689	3.2
149.13254	30.3
155.08542	7.1
156.09338	5.7
157.10089	9.4
159.11722	7.1
169.10127	7.9
171.11653	7.2
173.09546	6.0
183.11694	8.0
185.09598	3.8
185.13313	5.8
187.11244	6.0
187.14772	9.3
193.10107	4.4
195.11714	3.7
197.13292	5.9
201.16272	4.3
205.15872	9.7
209.13300	4.9
211.11104	4.5
211.14789	15.5
215.10730	5.8
215.14336	8.6
221.13440	3.5
225.16290	5.2
229.12395	4.4
235.14825	7.0
249.16266	4.5
253.12180	4.9
271.17084	8.7
285.18399	9.5
295.16977	21.6
303.19482	24.1
313.17938	60.3
331.18976	47.7
435.21667	45.1
453.22876	5.0
606.31036	16.8
606.39911	4.2
611.73694	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	606.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.0
55.01860	2.3
55.05505	5.5
57.07053	2.0
58.56964	1.4
65.03940	2.5
67.05498	8.4
67.46272	1.3
69.07054	4.4
69.80909	5.7
71.04984	3.4
73.06548	5.0
77.03911	1.6
79.05493	12.4
81.03412	3.5
81.07061	10.3
83.08611	1.9
87.04462	6.6
89.06016	4.6
91.05475	26.6
93.07042	23.3
95.04967	8.4
95.08612	15.1
97.06538	3.5
105.07027	48.6
107.04886	1.7
107.08569	19.9
109.06499	7.5
109.10143	6.8
111.04448	4.2
111.08042	1.9
115.05454	2.4
115.07558	61.9
116.04955	1.4
116.61057	1.7
117.06985	8.1
119.04947	3.8
119.08571	45.9
121.06469	4.8
121.10149	9.4
123.08083	4.3
128.06197	7.0
129.07010	5.9
130.07758	2.0
131.08562	17.4
133.06490	4.1
133.10118	17.6
135.08070	4.5
135.11662	4.3
137.02289	4.4
137.06004	3.4
137.09636	2.9
141.06975	5.9
142.07793	7.8
143.07043	10.5
143.08542	20.4
144.09331	2.6
145.06480	3.6
145.10120	18.9
147.08018	6.2
147.11668	49.9
149.09604	3.5
151.07513	7.8
154.07753	2.0
155.08517	11.5
156.09315	6.0
157.10109	32.2
158.10918	11.9
159.08072	4.7
159.11682	14.5
161.09634	11.4
161.13275	13.4
163.07520	3.3
163.11122	6.1
165.06969	4.0
165.09103	2.5
167.08577	5.4
168.09341	3.6
169.10106	14.7
170.10899	4.7
171.11707	16.2
172.12448	15.0
173.09668	3.2
173.13210	8.3
175.07570	3.6
175.11121	5.1
176.11926	9.7
176.15608	6.8
177.09050	2.6
178.07701	1.8
179.08549	7.1
180.09322	3.5
181.10043	8.0
182.10905	4.0
183.08038	2.3
183.11673	12.5
185.09579	2.7
185.13249	10.7
187.07512	4.8
187.11127	4.6
187.14807	5.4
189.09087	4.1
192.09305	2.9
193.10104	9.6
194.10861	4.0
195.11668	13.0
196.12474	6.4
197.09567	3.1
197.13220	9.9
198.14059	3.0
199.14842	2.7
201.09079	5.3
203.10713	2.9
203.14265	13.1
205.10184	2.3
206.11104	2.5
207.11700	12.1
208.12401	2.9
209.09496	2.3
209.13226	13.9
210.14012	3.4
211.11205	5.2
211.14838	7.5
213.09152	3.6
213.12663	2.4
215.10712	5.6
215.14206	2.1
219.10065	2.2
220.12393	4.0
221.13162	8.8
222.13914	4.0
223.11188	2.2
223.14783	6.0
225.12785	2.4
225.16440	8.0
229.12204	2.6
234.14020	5.4
235.14804	8.3
236.15517	7.0
239.10635	8.1
239.18028	2.3
241.12206	4.5
243.10124	2.9
249.16431	10.6
251.17908	7.3
253.12241	8.6
253.15855	5.0
255.13811	3.8
262.13391	2.6
265.12054	2.3
267.14163	2.4
267.17358	7.2
269.15234	1.9
269.19016	2.0
271.16925	24.6
277.15881	4.3
285.18396	2.1
295.16907	100.0
296.17236	4.7
313.17953	71.3
314.18143	2.9
331.18912	1.7
391.94827	1.8
410.97336	1.7
429.22577	6.0
529.27692	2.5
607.43414	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	606.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14438	1.5
73.02901	0.4
73.06551	0.7
73.77177	0.3
78.53452	0.4
81.03424	0.3
81.07119	0.3
85.02893	0.7
87.04465	100.0
88.04806	0.8
89.06028	20.6
91.05446	0.3
93.07013	0.3
97.02895	0.3
109.02843	0.3
109.28463	0.3
117.09163	0.6
131.07036	2.8
133.07584	0.6
133.08604	12.6
135.92995	0.3
137.05998	1.9
175.07492	0.8
175.09692	1.0
177.11195	4.1
219.12215	3.3
221.13905	0.6
263.14923	0.4
263.25684	0.3
307.86484	0.3
340.12787	0.3
415.34085	0.4
589.33923	0.7
606.25568	0.4
606.36243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27010	0.4
56.96428	1.2
56.96722	0.8
60.95270	0.3
61.56369	0.3
68.99650	0.5
72.66401	0.3
87.39970	0.4
91.05289	1.0
95.04835	0.6
103.05256	5.7
103.05998	0.8
105.03235	0.7
115.05261	1.3
128.04936	0.4
131.04706	17.6
131.05795	1.8
136.07350	1.0
138.01692	0.6
139.97658	0.3
142.06339	0.4
157.98677	0.5
166.01192	0.8
167.01947	1.2
167.97189	0.8
168.02695	1.1
178.01140	0.8
182.05821	0.5
185.98138	1.1
190.01271	0.4
192.02678	1.5
192.04369	0.4
199.03766	0.7
200.03313	0.4
203.04321	0.3
208.02267	0.8
212.06854	1.1
213.97620	1.1
216.02873	0.5
218.00609	0.9
224.01453	0.5
224.06886	0.4
230.04381	0.4
230.07753	0.4
234.03813	0.4
238.04929	0.6
241.04759	0.7
241.97176	1.0
242.02304	1.0
242.04488	0.5
243.03368	0.4
245.05418	0.4
247.02649	0.4
252.00740	0.5
254.08064	0.5
256.00256	1.1
256.05966	0.9
258.03796	1.7
260.03528	2.2
263.06741	0.4
270.01816	1.1
270.04572	0.8
270.07611	0.6
271.08322	0.8
272.09085	0.8
274.01462	1.8
278.04434	0.5
280.05997	2.9
283.99875	0.8
285.07556	1.7
287.02267	0.9
288.02899	1.6
289.04379	0.6
291.02454	1.2
296.09048	1.3
298.03317	1.6
302.00888	1.9
306.03958	0.4
307.99698	8.5
311.99390	4.2
315.01953	0.6
316.02670	1.9
322.06927	1.3
323.02118	5.2
326.00824	8.9
327.96603	0.6
330.00439	4.2
336.01184	0.6
336.08612	0.7
339.98877	33.4
340.99173	1.0
341.03241	15.2
341.98346	1.1
342.03821	0.6
342.98709	1.7
344.02005	75.6
345.02594	3.6
349.02460	0.7
353.04248	0.6
354.02533	0.9
355.96146	2.7
356.96841	0.6
357.00671	0.5
357.99930	45.4
359.04346	100.0
359.99429	1.6
360.04706	2.5
361.00128	0.8
361.04663	0.5
362.03058	26.4
362.09558	1.9
363.03314	1.0
364.04916	2.1
366.23282	0.4
367.03690	3.1
367.99863	1.0
372.03375	0.6
374.10419	0.7
376.00735	0.6
377.05408	24.1
378.05792	0.9
379.06155	0.4
380.97223	0.4
381.01840	1.2
382.06003	5.9
383.06180	0.5
384.12411	3.8
392.07660	0.5
402.09796	2.0
407.12488	0.5
420.07358	0.8
426.13623	0.5
430.09207	2.1
441.10147	0.5
442.09012	0.4
457.10507	0.8
458.08679	3.3
476.09726	2.4
485.09586	1.7
486.08121	3.4
496.02261	0.4
503.10757	3.1
516.15039	0.5
521.12195	1.2
534.15637	0.5
536.02039	0.8
544.14233	1.5
561.16736	0.5
562.14905	3.7
564.01495	2.6
564.18396	0.5
575.08429	0.5
589.16052	4.6
590.14362	10.1
592.07294	1.4
606.19513	0.4
607.09576	31.0
607.17981	8.9
608.09955	1.5
608.18579	0.7
610.08014	1.0
620.96100	0.4
625.10168	8.0
626.10974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.171
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	3.1
70.06584	5.4
79.05495	0.8
85.02893	14.3
90.03452	0.8
91.05481	2.2
94.02917	1.3
95.01343	1.0
95.04967	3.0
103.05462	42.5
104.05824	1.1
105.03407	2.6
105.04503	1.1
107.04940	1.0
115.05447	3.3
117.07029	0.9
119.04990	0.8
122.02390	2.2
129.07004	2.0
131.04919	100.0
132.05286	2.4
133.66699	0.8
136.03961	1.1
136.07590	2.9
138.01862	2.9
140.40033	1.1
141.07036	1.1
142.17105	0.8
146.02327	6.9
147.05492	0.8
148.00310	1.0
149.03459	1.6
150.01840	1.7
157.03905	1.1
157.06464	6.4
161.03409	1.0
162.01868	1.1
162.05463	1.5
164.03351	0.9
165.01852	1.4
166.01387	3.2
167.02193	1.5
168.02931	3.4
173.03459	1.6
176.03580	1.0
177.05421	1.2
178.01355	6.0
178.05145	0.8
179.03389	1.2
183.03012	0.8
184.02432	1.3
185.03261	1.9
187.05153	1.1
188.03426	3.5
190.01266	3.7
190.04985	1.4
192.02835	1.8
199.03868	1.8
200.03416	1.1
201.02968	2.1
202.01344	1.1
203.03131	1.0
203.04738	1.5
204.02957	3.2
204.06601	3.5
205.04938	14.6
207.34027	0.9
208.02406	4.0
212.07056	1.2
218.00836	4.8
219.03964	1.0
223.06026	1.9
224.07114	1.4
225.05406	1.3
228.03070	2.0
229.02472	2.4
229.06050	1.7
230.04573	0.9
231.03949	5.4
231.07426	0.9
232.02513	6.2
232.05998	27.5
236.01909	0.8
236.07135	1.6
239.04633	1.2
242.08217	1.6
243.03954	1.3
244.02541	1.7
247.03427	2.6
250.07161	2.8
253.02634	1.0
255.04070	2.3
257.01971	2.6
264.06506	1.2
266.08160	1.0
267.04031	3.4
268.02185	1.1
270.07666	1.1
271.03528	2.9
272.09277	1.3
275.02969	9.7
280.06058	5.3
281.02057	1.1
282.00342	2.5
282.07462	3.6
283.03430	1.3
283.08472	0.8
288.01379	1.1
290.08017	0.9
294.07693	2.6
295.03467	5.2
296.01910	2.5
296.09244	1.7
297.01465	1.4
298.03442	2.1
299.03030	0.9
301.10049	0.9
303.07590	0.9
307.10037	1.3
308.09058	1.5
309.11160	1.2
311.03088	2.4
313.04657	1.2
315.02408	1.0
321.01483	1.6
322.07065	6.6
323.03000	10.2
324.01389	2.6
325.01047	3.8
336.08691	1.6
336.12268	13.6
339.02457	4.4
340.00888	1.5
341.03995	1.9
343.02036	2.3
353.03720	0.9
355.05701	2.5
361.02667	0.9
361.08194	2.7
362.10535	0.9
367.01947	5.4
371.10397	1.1
372.08755	1.3
375.09729	3.2
384.12439	3.4
385.02869	1.1
399.09772	2.0
400.08267	4.3
427.09082	8.2
428.07571	4.7
429.08170	1.2
440.07449	1.0
442.09061	1.8
443.08694	2.4
445.10330	1.0
453.07269	1.9
458.08746	2.3
459.11725	7.0
461.10431	0.9
471.08185	36.9
472.08499	1.2
485.09225	1.3
486.11697	2.4
489.08847	1.8
503.10419	1.8
504.14310	3.5
520.13660	2.1
521.11835	4.0
524.14435	0.9
531.15607	3.2
531.78479	0.8
532.13934	2.3
533.13666	1.1
546.14661	1.3
547.14893	1.5
557.13861	2.1
562.14868	2.3
575.14459	60.0
576.14618	2.8
589.16101	3.4
590.15051	6.8
607.18658	66.8
608.15887	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70353	0.4
52.99941	0.5
58.17099	0.5
67.05468	0.9
68.04975	0.5
68.99753	1.5
69.21539	2.3
70.06589	10.9
82.06528	0.5
91.05479	2.4
95.01277	0.5
95.04975	2.3
95.05440	0.5
98.23454	0.7
99.60396	0.4
103.04861	0.6
103.05469	7.8
105.03338	0.6
107.04964	0.4
108.04447	0.6
115.05402	1.8
121.02851	0.5
122.05965	0.7
131.04922	19.9
132.05254	0.6
134.05978	0.5
136.07584	6.4
137.05923	1.3
138.01837	0.9
139.00232	0.5
142.06467	0.8
147.04358	0.8
148.03935	1.0
149.02353	0.8
149.05956	1.1
150.01845	0.5
153.01767	0.7
161.02278	0.7
162.05467	3.3
163.03859	1.2
165.01817	1.8
166.01361	1.4
167.02092	1.4
167.03310	0.5
168.02916	4.7
169.01248	0.5
170.05954	1.0
175.03891	0.8
176.07082	0.7
177.01750	0.9
177.05470	3.6
178.01393	3.5
179.03407	2.0
180.02979	1.0
182.36975	0.4
183.02837	0.9
187.03897	0.7
189.01842	0.6
190.04977	1.3
191.03395	0.5
192.02943	0.8
193.05017	2.1
196.02406	1.0
202.01395	0.5
202.04948	0.6
203.03305	2.6
204.02878	1.8
204.06537	5.9
205.04947	26.8
207.02826	0.8
212.07028	0.7
214.04961	1.2
215.03319	0.9
216.02699	0.6
216.06549	0.4
218.00739	0.9
218.04520	1.6
219.07613	0.9
220.02275	0.6
222.07574	1.4
223.05960	2.6
225.05603	0.8
229.06055	2.2
230.04509	2.9
231.07886	0.5
232.06036	63.5
233.06406	0.7
234.00270	0.4
234.03998	0.6
234.09174	0.5
238.04994	1.0
240.02954	0.6
241.04800	0.5
242.04863	0.5
247.07176	1.2
250.07065	5.8
256.06079	0.6
257.08130	0.6
258.03989	6.1
259.41885	0.4
267.10236	0.6
268.02441	0.6
269.08127	0.5
270.00122	0.5
270.07626	0.8
271.08231	0.9
272.09103	1.6
280.06033	5.5
282.07465	2.0
286.03354	0.8
288.01352	1.4
289.08279	0.9
290.08029	0.8
293.07928	1.0
294.11182	0.9
298.03680	0.6
306.02545	0.6
307.09641	1.9
308.09354	0.6
308.12860	0.5
309.11249	1.9
310.03516	0.7
316.01038	0.5
321.03476	0.5
322.07242	0.6
336.01422	1.7
336.12271	25.2
337.12955	0.7
353.04147	0.6
354.02393	1.7
362.10187	5.6
372.03513	1.1
372.08279	0.8
381.07321	0.6
382.05621	1.8
384.12347	5.4
392.07761	0.8
405.35333	0.4
407.12378	0.7
414.09338	0.7
420.07108	1.0
430.09286	0.6
440.07657	1.6
442.09103	0.9
443.09171	0.8
457.10303	0.9
458.08655	9.0
458.14804	0.6
459.08774	0.8
468.07245	0.7
476.09698	5.9
484.10791	0.7
485.09039	0.5
485.13531	1.7
486.12234	4.4
503.09656	2.1
503.15448	1.0
521.12201	2.6
524.13232	3.3
544.13940	2.8
546.15295	0.8
561.16437	2.4
562.14966	4.7
589.16028	9.2
590.15338	4.8
607.20807	100.0
608.21265	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	607.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63519	0.7
55.05486	0.9
69.88730	2.0
73.33414	0.6
79.65092	0.5
81.07020	0.7
87.04461	11.5
89.06026	2.6
94.06554	1.2
105.07010	0.9
110.06066	0.6
110.29544	0.7
117.03347	0.9
121.06469	0.6
124.03935	2.2
127.01533	2.1
131.07010	0.9
133.08589	0.6
138.05487	15.2
139.01558	1.3
145.02823	1.4
147.04343	1.5
153.03113	2.7
163.90244	0.6
165.07103	0.8
170.15337	0.7
177.05460	4.3
207.06494	0.7
395.10974	2.1
410.13260	9.8
457.61383	0.8
563.27740	1.8
607.21228	100.0
608.21570	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	607.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07041	0.4
59.04952	0.9
67.05452	0.5
70.77583	0.8
79.05442	1.2
87.04469	3.6
89.05981	1.5
90.26769	0.4
91.05432	1.0
95.04936	0.5
103.05437	0.8
103.07497	0.8
104.27731	0.4
105.07021	16.2
106.07302	1.7
110.28989	0.4
119.08520	0.5
121.06428	1.2
127.01546	0.5
131.08533	0.5
133.08505	0.6
147.07944	0.5
147.10153	0.5
153.03044	0.9
164.36974	0.5
209.10677	0.4
221.10677	0.6
257.79730	0.4
374.15308	0.7
375.15894	1.2
387.16016	1.0
388.16898	1.2
389.17575	4.3
390.18250	1.8
391.19186	1.0
401.17743	1.2
402.18460	1.6
403.19299	6.8
404.19919	3.5
405.20856	3.4
406.21307	0.8
408.46387	0.5
413.17987	0.5
415.18814	0.8
416.16281	1.5
417.16049	5.6
417.20953	3.6
418.17487	1.6
418.21619	1.6
419.22308	9.0
420.23090	0.7
429.16742	0.5
430.17593	1.7
431.18265	11.1
432.18915	3.8
433.20090	4.0
443.18219	0.6
444.19995	0.7
445.20255	8.8
446.20932	8.6
447.21719	13.4
448.22104	0.7
459.17697	2.0
459.22067	2.1
460.18829	1.6
461.19620	1.6
462.24530	0.7
463.24518	1.5
473.18607	2.0
474.20349	11.6
475.21118	13.9
476.21686	1.0
477.22928	0.7
478.23541	0.8
487.21368	2.8
488.22287	1.0
490.23544	1.3
491.20627	1.7
491.24713	1.2
501.22897	2.6
504.21536	0.5
517.22943	0.5
518.22949	0.6
519.23944	14.4
520.24567	0.8
529.22382	0.8
532.20074	0.5
547.23346	70.6
548.23669	3.9
561.24927	1.9
579.26215	4.6
589.24573	1.5
599.13959	0.5
606.42926	0.6
607.25403	100.0
608.25714	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	607.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73856	2.0
87.04465	3.2
89.06030	1.4
105.07021	7.4
106.07383	0.9
115.42518	0.4
156.68939	0.4
209.10779	0.5
237.10527	0.4
362.16376	0.6
374.15009	0.8
375.15851	0.6
376.17291	0.5
387.16116	1.3
388.16895	1.1
389.17520	2.7
390.18414	1.8
391.19113	1.4
392.20145	0.5
401.17941	0.7
402.18466	1.9
403.19415	6.3
404.20081	3.1
405.20755	4.2
416.16254	1.6
416.20773	0.7
417.16190	6.0
417.21262	2.4
418.17844	1.8
418.22479	1.0
419.17953	0.7
419.22476	7.9
420.22955	1.3
430.17950	1.5
431.18216	9.1
431.23685	0.9
432.19284	5.0
433.19974	4.9
444.19415	0.8
445.20035	7.5
446.20993	12.7
447.21698	12.6
448.22504	1.5
459.17038	0.7
459.21973	2.0
460.17902	0.8
460.23306	0.7
461.19522	3.4
462.24289	1.3
463.20407	0.6
473.19339	1.4
474.20444	8.7
475.20969	8.1
476.22122	0.9
477.23254	0.8
478.23584	1.5
487.21411	2.6
490.23669	0.6
491.20853	3.7
501.22751	1.2
502.23090	0.7
504.21500	0.7
505.22244	1.3
506.22821	1.1
519.24030	24.6
520.24524	1.3
547.23315	18.5
548.23846	1.7
561.24939	0.8
579.26086	7.6
580.26630	0.9
589.24084	0.7
607.25421	100.0
608.25635	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55353	0.4
62.26219	0.3
66.90659	0.3
70.06577	0.7
70.55965	0.8
75.88984	0.4
77.23677	0.4
78.25017	0.4
92.21191	0.4
107.04933	0.4
119.04903	0.4
121.02837	2.3
137.05927	0.4
138.05501	0.4
147.04391	0.4
148.17928	0.5
158.10164	0.4
201.03711	1.0
238.71323	0.4
245.06281	0.5
257.75162	0.4
275.07263	1.9
303.05286	0.4
318.17709	0.4
333.07883	6.7
355.11533	1.5
363.08963	7.2
364.24094	0.4
408.14313	0.4
445.20322	0.6
475.21637	1.1
495.13171	22.3
496.13498	1.4
497.14627	0.8
527.23242	0.5
555.82959	0.4
607.25684	100.0
608.26099	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	607.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
63.82729	0.1
65.03929	0.5
67.05482	0.2
69.69212	0.3
70.83648	0.1
74.59796	0.1
77.03026	0.1
78.03429	0.2
84.08130	0.1
92.04990	1.1
93.05761	0.3
94.06560	4.0
95.60430	0.1
96.04484	0.7
108.22598	0.1
110.06032	3.0
138.05486	100.0
139.05830	1.4
151.03909	0.2
154.04935	0.2
161.05836	0.1
174.83313	0.1
182.20686	0.1
287.37399	0.1
435.47684	0.1
449.22894	0.1
601.31580	0.1
607.26477	5.0
608.26624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.37426	0.1
58.24284	0.1
60.90592	0.1
63.52352	0.1
65.03934	0.5
67.05489	0.3
69.03404	0.2
70.99219	0.2
73.02909	0.3
78.03409	0.2
79.04218	0.2
81.03439	0.2
81.07025	0.3
85.02898	0.1
85.78376	0.1
87.04468	0.8
87.23849	0.1
89.06033	0.7
92.04999	1.3
93.05761	0.4
93.07082	0.1
94.05986	0.3
94.06564	3.8
95.08591	0.2
96.04483	0.6
97.02901	0.4
109.02868	0.2
110.06029	3.2
112.63788	0.1
119.08585	0.2
127.03912	0.3
131.08646	0.1
133.08574	0.3
138.05487	100.0
139.05814	1.3
154.04955	0.2
161.13315	0.2
194.01624	0.1
283.24252	0.1
340.66928	0.1
607.26666	2.4
608.26282	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	607.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29921	0.3
55.94357	0.3
56.93668	0.3
59.04993	0.5
69.15190	1.2
69.15615	1.2
86.16381	0.3
89.06026	0.5
94.06566	0.7
98.91438	0.4
103.03985	0.5
110.06027	0.5
123.69864	0.4
124.03983	0.5
138.05498	22.1
143.16202	0.4
145.02867	1.6
151.22342	0.4
153.03166	0.7
177.05531	2.3
183.11739	0.3
185.04172	0.7
220.96675	0.3
227.05235	0.7
232.61636	0.5
245.06305	3.8
271.04388	1.7
289.05417	2.6
294.76093	0.4
341.20886	1.2
359.21548	1.0
363.80246	0.5
521.27173	2.2
545.27203	1.1
563.28204	8.4
564.28662	0.5
589.26184	5.4
607.27197	100.0
608.27643	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	607.2724
Annotation	CHEBI:66777
Peak:m/z	Relative Intensity
52.45427	0.7
70.06556	0.8
87.04473	1.0
91.05483	1.2
105.07026	1.1
110.06056	1.3
124.03983	3.6
132.58331	0.9
138.05470	10.3
148.07475	2.1
185.04366	1.1
187.14755	1.2
227.05310	1.2
245.06363	3.2
266.10092	1.3
267.11035	1.0
279.10944	1.1
280.11633	1.2
289.05392	3.0
290.10477	1.0
291.11548	1.0
307.01971	1.2
313.90933	1.0
339.13507	2.4
340.13876	2.4
341.14011	2.4
341.21051	3.9
344.03821	1.0
345.04446	1.4
355.13049	1.2
356.13431	1.2
359.21939	2.0
367.13037	1.2
368.13211	2.9
435.59604	1.0
521.27271	4.6
531.19751	1.3
545.27179	5.3
550.72046	1.0
563.21924	1.5
563.28601	17.8
589.26123	20.0
607.27423	100.0
608.27661	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	607.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04786	1.4
51.04548	1.5
55.01881	2.2
55.05506	6.7
56.05020	3.0
58.99583	5.8
67.05501	12.5
68.05015	1.5
69.03422	2.6
69.07054	8.0
70.02946	19.7
70.06583	4.8
71.04997	2.9
71.43041	1.6
71.73725	1.4
72.08167	1.5
74.00661	3.7
74.02430	2.3
76.02222	12.5
76.03999	12.2
79.05493	10.2
81.07043	18.4
83.04989	5.7
84.04507	3.6
84.08149	3.8
85.04020	3.4
85.06535	3.4
85.57307	1.4
86.00652	4.6
86.09740	1.8
86.22283	1.5
86.99033	2.7
88.02216	20.3
88.03997	3.1
91.05476	10.1
93.07037	10.8
95.04952	2.5
95.08607	14.3
97.06522	7.4
99.05588	5.3
99.08099	6.4
105.07027	23.8
107.04893	1.8
107.08591	11.5
109.10143	8.8
111.70578	1.6
112.02189	3.2
114.03745	11.9
115.05434	2.6
116.01682	12.2
116.03425	2.9
117.07035	9.7
119.04955	2.6
119.08597	16.8
120.08107	2.3
121.02955	1.6
121.06508	2.1
121.10126	4.4
123.11730	4.6
127.03944	1.5
127.05063	2.5
128.06219	3.5
129.07025	9.2
129.10188	1.8
130.05003	5.1
130.07724	1.3
131.08569	20.0
133.06485	3.3
133.10141	8.1
134.09607	1.4
135.04367	1.6
135.08098	3.1
135.11699	2.7
138.03743	1.9
139.11076	1.3
140.05283	2.7
141.06947	4.9
142.07747	4.4
143.02734	4.6
143.08559	12.8
144.01158	3.5
145.06073	100.0
145.10098	31.3
147.02570	2.7
147.04448	4.4
147.08025	3.0
147.11674	7.3
151.03911	2.6
155.08574	9.3
156.09357	10.0
157.10132	12.1
158.09662	2.8
159.07994	2.8
159.11684	16.8
161.06029	2.2
161.13193	2.2
162.02208	10.2
163.07549	2.6
167.08537	3.5
168.09355	2.8
169.10118	14.3
170.10834	1.7
171.11681	24.0
173.09595	3.7
173.13277	6.4
174.02151	3.3
175.14932	2.0
177.03233	8.0
179.04854	18.8
179.08687	2.0
181.10074	5.2
183.11670	11.3
185.13272	7.0
187.07237	3.2
187.11157	2.7
187.14861	1.9
189.03322	7.2
191.04819	1.9
195.11670	4.4
197.13307	9.9
199.11198	2.9
199.14819	2.3
201.07285	1.8
201.12773	2.5
203.08862	2.1
209.13258	5.1
211.11052	1.7
211.14854	4.4
213.12714	2.6
215.05038	2.1
215.10693	3.3
216.11418	1.6
217.06432	12.0
217.12213	2.8
223.14781	2.6
225.16339	3.2
227.14435	1.6
227.17909	2.4
229.12091	1.9
251.17941	4.5
253.19589	4.6
269.19003	6.3
271.20642	3.6
287.20068	5.5
289.21552	4.1
297.18411	3.8
305.21082	7.6
315.19409	8.7
319.17157	2.1
333.12524	1.8
333.20621	7.2
347.16980	1.8
351.21509	2.7
362.21515	4.3
365.17792	2.8
372.20160	3.4
376.39581	1.6
390.20853	9.5
407.61298	1.5
408.21982	10.8
418.20395	2.9
426.22903	4.1
436.21802	1.9
447.23181	3.6
448.21271	1.9
465.24258	16.5
467.25745	5.2
475.23035	2.4
483.25400	10.2
485.26563	4.4
493.23376	8.2
494.21707	4.2
496.23560	2.8
511.17209	3.3
511.24716	68.0
512.24182	3.5
529.25623	28.6
547.26758	10.6
571.26776	22.0
572.25757	2.3
589.27863	27.5
607.28601	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	607.2909
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.44092	0.2
54.37929	0.2
54.38837	0.2
61.82912	0.2
66.41937	0.2
68.05676	0.2
68.13805	0.2
69.25497	1.1
142.01701	0.2
180.54300	0.2
196.67982	0.2
206.27182	0.2
209.10809	0.4
221.10573	0.2
324.14780	0.3
364.22562	0.2
375.16092	0.4
387.16174	0.4
388.16708	0.3
389.17740	1.0
390.18292	0.3
401.17844	0.5
402.18600	1.3
403.19205	3.0
404.20114	1.5
405.20792	1.5
406.21423	0.4
415.19290	0.8
416.20395	1.1
417.16949	0.8
417.21301	3.9
418.17264	0.2
418.21619	2.1
419.22403	3.7
429.21402	0.4
430.16965	1.2
430.22766	0.4
431.18109	7.8
431.23697	0.4
432.18570	2.1
433.24188	6.9
434.24643	1.1
443.18591	0.5
444.19464	0.9
445.19748	8.8
446.20645	4.9
447.21646	4.1
449.23276	0.4
458.21136	0.3
459.21390	3.8
460.22430	9.4
461.23273	9.2
462.23669	0.7
473.23618	2.7
474.24564	1.1
477.22855	0.7
487.25409	1.1
488.25647	0.6
489.22672	0.3
491.24368	0.9
492.25159	0.8
505.21500	2.6
506.26840	0.5
515.24384	0.5
519.24280	1.4
532.24445	0.4
533.25616	0.5
547.26990	21.2
548.27448	1.8
575.26099	0.7
578.25330	0.3
579.30127	0.3
592.26910	0.3
607.29065	100.0
608.29407	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	607.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44108	0.3
69.12717	0.5
69.13023	2.1
80.49257	0.3
98.23406	0.7
109.76907	0.3
172.24838	0.3
388.16644	0.6
389.17609	0.5
401.18079	0.5
402.18427	1.1
403.19189	3.2
404.19849	0.9
405.20813	1.1
406.21317	0.3
416.15622	0.4
416.20465	0.7
417.16727	0.9
417.21234	3.4
418.21997	1.6
419.22305	2.6
430.18033	1.1
431.18094	7.3
431.23648	0.5
432.18655	2.0
433.23917	9.8
434.24823	1.7
444.18723	0.6
445.19775	8.3
446.20526	4.0
447.21628	4.4
459.21298	4.6
460.22455	16.1
461.23276	19.3
462.23672	1.2
473.23474	3.9
474.24124	1.5
477.22723	0.9
487.24948	2.5
488.25491	0.8
491.24915	0.6
492.25299	0.9
505.21594	3.2
506.26981	0.7
515.24280	0.7
517.22339	0.4
518.22455	0.6
519.24658	2.2
519.27203	2.5
532.24780	1.3
533.25739	0.5
547.26996	54.9
548.27240	3.7
575.26318	1.4
575.78058	0.3
578.25061	0.6
579.29431	1.1
607.29071	100.0
608.29333	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	607.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36074	0.3
53.03943	0.8
53.55421	0.3
55.05502	0.6
67.05496	1.0
69.03393	0.4
69.07059	0.9
71.20840	0.3
78.03443	2.0
79.05482	0.9
80.05016	3.5
81.03400	1.2
81.07049	1.4
91.05464	2.0
93.07048	2.1
95.05006	0.8
95.08596	1.4
95.87336	0.3
96.04481	3.1
97.02882	1.1
105.03391	2.8
105.04508	0.7
105.07021	2.7
106.02920	5.8
107.08580	1.6
108.04468	0.8
109.10155	0.7
117.06968	0.7
119.08574	2.7
121.06529	0.8
121.10117	1.1
124.03947	100.0
125.04269	1.6
125.05932	0.5
127.03864	0.4
128.06227	0.4
129.07030	0.5
131.08525	1.4
133.10126	1.9
135.08070	0.6
142.07736	0.5
143.08531	1.1
145.10126	2.0
147.08130	0.6
147.11664	1.8
151.07375	0.4
155.08554	1.3
156.09332	1.8
157.10133	2.9
159.07967	0.9
159.11685	2.2
161.09605	1.3
162.59314	0.4
167.08542	0.6
169.10114	2.0
170.10930	1.1
171.11665	2.4
172.12483	0.4
173.09628	1.4
173.13246	1.0
175.11151	0.9
175.14848	0.6
179.08554	0.8
181.10097	0.9
182.10918	0.8
183.11685	2.6
185.09549	0.8
185.13255	2.7
187.11172	0.7
187.14819	1.5
188.11974	0.5
189.12750	0.6
192.09270	0.6
193.10147	2.1
194.10922	0.6
195.11676	1.2
196.12379	0.8
197.09631	0.4
197.13240	2.1
198.14034	0.4
201.12799	0.6
203.10699	0.6
203.14261	2.0
205.10170	0.5
206.10951	0.5
207.11679	2.8
208.12514	0.4
209.09698	0.5
209.13264	0.9
211.11223	1.1
211.14789	5.5
213.16348	0.8
215.10799	0.5
215.14331	2.6
217.15776	0.4
219.11696	0.5
220.12463	0.8
221.13411	0.8
223.14767	0.7
225.12746	0.6
225.16336	1.0
229.15805	0.4
231.10152	1.1
234.14044	0.7
235.14801	3.0
236.15608	0.7
249.16365	1.8
253.12222	1.6
253.15857	1.0
255.13806	0.7
257.11731	0.8
267.17413	1.1
269.15451	0.4
270.75974	0.4
271.13239	0.4
275.37201	0.4
277.15839	0.9
280.14716	0.5
285.14917	0.6
285.18365	0.8
289.18036	0.5
292.17038	0.5
293.15359	0.4
295.16907	5.7
304.36963	0.4
309.00064	0.4
313.17972	13.9
329.17520	1.1
331.19073	1.6
347.18311	0.3
368.24677	0.4
436.21194	33.0
437.21542	1.8
454.22214	7.2
530.89001	0.4
576.25879	0.4
607.34338	0.5
607.43005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02366	0.4
53.03945	0.5
55.01879	0.3
55.05498	1.1
57.85487	0.3
67.05502	1.3
68.94689	0.3
69.07063	1.2
69.63019	0.8
69.63424	0.5
73.04758	0.3
78.03446	4.2
79.04207	0.3
79.05494	1.8
80.05016	3.4
81.03404	0.3
81.06634	0.4
81.07037	1.9
83.04974	2.0
83.08615	0.5
91.05482	2.2
93.07054	2.4
95.04966	0.5
95.08594	1.9
96.04498	3.5
97.06527	1.8
105.07024	2.1
105.84042	0.3
106.02912	10.3
107.08585	1.7
108.04473	1.0
109.10188	0.4
115.05364	0.4
117.06977	1.4
119.08583	2.4
121.10132	1.7
123.11671	0.3
124.03947	100.0
125.04270	0.9
128.06186	0.4
129.07008	0.8
130.07755	0.5
131.08568	2.3
133.10104	1.5
135.11676	0.4
143.08571	1.9
145.10136	1.9
147.11693	0.8
149.09630	0.3
149.13214	0.5
155.08557	0.8
156.09338	0.8
157.10143	1.8
159.11719	1.5
161.09694	0.3
161.13307	0.5
163.11125	0.3
169.10112	0.8
171.11644	3.4
173.13274	1.1
175.14935	0.5
181.10097	0.7
183.11707	1.0
185.13242	1.3
186.14000	0.5
187.14755	1.2
195.11668	0.9
197.13228	1.0
199.14850	0.9
201.56641	0.3
209.13266	0.8
211.14786	0.4
213.16345	1.5
223.14793	0.8
231.17363	0.3
237.16391	0.8
239.17973	0.9
241.15878	0.4
255.21065	0.5
265.19492	1.1
273.22147	0.6
283.20624	2.3
301.21634	0.8
378.24344	0.4
388.22583	0.6
396.25330	0.5
406.23767	11.8
407.24078	0.4
424.24802	8.3
425.25259	0.4
442.26212	0.4
524.86365	0.3
529.26532	0.4
547.28070	5.7
548.28168	0.4
607.29865	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	608.174
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06564	3.6
71.41755	1.2
81.33718	1.1
85.40662	0.8
89.66464	1.0
103.05472	5.6
112.03962	1.1
115.05444	1.3
131.04919	13.7
132.05211	3.0
133.01318	7.3
134.02122	11.9
136.07536	1.4
138.01859	0.9
162.05458	1.0
165.01765	1.3
166.01239	1.2
168.02852	2.5
174.05206	1.3
177.05383	1.2
178.01396	1.1
203.03377	1.2
204.06482	1.5
205.04958	4.9
206.05214	1.9
227.05374	0.9
232.06042	9.1
233.06305	5.6
234.03909	1.1
242.04814	0.9
268.02213	1.2
271.08206	1.0
280.05865	1.2
288.38861	0.9
296.07251	2.6
336.12048	3.6
337.12463	4.2
338.02740	1.2
338.08459	4.4
360.08469	1.2
360.12100	11.1
361.12250	1.0
382.07083	3.8
384.12097	1.2
385.12616	1.5
442.09006	2.1
486.07211	1.0
504.08899	3.8
520.10541	1.0
522.17340	7.0
546.14050	1.3
562.14532	1.7
563.14624	1.3
564.18353	46.6
565.18610	3.7
590.15479	2.0
591.14032	1.7
608.17010	100.0
609.17566	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	608.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28199	1.0
55.89647	0.9
56.46864	0.8
67.05482	1.0
67.71187	0.9
68.71681	1.0
68.99791	3.2
69.65269	1.8
69.65650	2.1
91.05482	3.6
91.85148	1.0
92.01397	1.1
93.03393	1.3
95.04961	7.8
98.23454	1.1
103.05470	6.0
105.03369	1.1
105.07032	1.7
109.06538	2.5
110.02406	1.1
114.12551	1.0
121.02889	1.4
121.06508	2.4
131.04927	11.7
135.04437	1.9
137.05984	2.1
138.01910	2.4
140.03471	1.0
149.02350	1.5
149.05974	3.1
159.04485	1.1
163.00272	3.0
163.03905	2.3
164.03310	1.0
165.01895	3.4
167.02148	4.3
167.03403	2.2
168.02887	5.5
177.05455	10.0
178.01370	2.9
179.03503	2.4
180.02890	8.7
181.04974	1.9
183.02869	1.4
185.03246	3.5
187.03934	3.4
189.01868	2.6
190.99800	4.4
197.75192	1.0
205.04956	100.0
205.33426	1.1
206.04688	3.2
207.02881	1.7
209.00821	9.5
215.03433	3.3
217.05162	1.1
220.06081	2.7
223.05939	6.5
233.01973	8.3
233.04489	13.1
233.06541	1.4
234.00352	10.5
246.00671	1.1
251.02997	5.9
251.05557	7.0
252.01486	3.1
267.10342	3.0
271.08524	2.9
272.09265	1.0
284.09305	3.4
293.08212	2.1
295.06088	4.1
309.11160	7.5
319.09689	1.4
324.12323	2.3
331.29346	1.1
337.07529	14.3
337.11307	4.5
394.13159	1.3
486.11847	5.1
504.12778	1.7
580.19806	2.6
590.18066	50.0
591.18262	1.9
608.19098	70.4
609.19525	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	608.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03918	0.4
55.05508	0.7
57.03427	0.5
61.02913	0.5
61.76215	0.2
67.05491	0.3
68.99775	0.3
69.03423	3.4
70.74622	0.4
71.01351	0.2
71.04993	0.3
73.02917	0.4
78.03455	2.6
80.05008	0.5
80.66889	0.2
81.03406	1.5
83.01366	0.2
83.04985	1.6
85.02894	1.7
87.00816	0.7
89.06027	0.2
96.04495	1.1
97.02887	100.0
98.03217	0.5
99.04453	0.4
103.03954	0.4
104.54459	0.2
105.01859	0.6
105.07025	0.8
106.02911	10.6
108.87698	0.2
109.02861	1.3
111.04405	1.2
118.96374	0.2
124.03944	17.4
127.03902	1.8
129.01849	0.3
129.05476	1.3
131.04909	0.2
132.29980	0.2
138.05449	0.3
163.03828	0.2
196.06082	1.0
213.03789	0.2
215.05556	0.4
216.80429	0.2
220.06032	15.1
221.06398	0.3
231.05008	0.4
238.07094	7.4
254.06567	3.9
256.08267	0.5
280.08194	0.9
289.05353	0.2
322.09122	0.4
346.09192	0.4
364.09982	0.2
382.11389	0.5
400.12265	1.7
410.13080	0.2
424.12363	0.4
442.13443	1.2
468.11456	2.3
486.12381	11.7
487.12518	0.5
514.28491	0.3
558.48450	0.2
608.21387	4.9
609.21637	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	608.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23212	0.4
51.77003	0.4
54.27448	0.4
59.04997	0.6
69.03407	0.5
70.02486	1.1
70.02853	0.5
72.02105	0.4
73.02901	0.5
73.06553	2.0
87.04465	12.2
89.06026	100.0
90.06359	1.3
91.07568	0.9
107.07060	1.6
117.09125	1.3
119.73515	0.4
130.08626	0.4
131.07021	4.1
133.08595	58.6
134.08928	0.7
135.10135	1.0
175.09656	2.7
177.11208	20.4
179.12772	0.7
189.06927	0.4
189.38724	0.5
195.12283	0.4
215.62445	0.4
219.10251	0.7
219.12228	0.5
221.13841	4.0
265.16537	0.8
283.17310	0.9
287.05515	0.7
294.57867	0.3
309.19009	0.7
353.21259	0.4
441.26212	0.5
497.38477	0.4
591.35797	2.5
608.38214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.5
59.05006	4.3
67.05491	1.3
69.03423	5.2
70.06610	0.5
71.04976	1.3
73.02916	6.8
73.06549	3.5
80.27799	0.5
81.03391	0.6
85.02898	1.6
87.04462	100.0
88.04789	5.1
89.04907	2.5
89.06025	33.3
90.06350	1.3
95.04969	3.7
97.02881	3.7
97.06509	1.6
99.04416	0.7
101.06012	0.6
107.07091	0.6
109.02870	0.8
113.06002	21.2
115.03920	0.6
117.09142	3.0
121.02850	1.1
127.03872	0.7
131.07039	9.3
133.08600	18.0
134.08908	1.1
136.29622	0.5
137.02315	1.2
137.05962	5.1
138.05461	1.1
139.07541	1.5
157.08601	3.8
160.05197	0.6
161.11722	0.9
175.07527	1.2
175.09663	4.4
177.11185	5.3
178.11549	0.9
188.07840	0.9
201.11229	1.8
219.12277	2.7
221.13843	1.0
245.13966	1.1
302.09204	0.5
527.30554	1.3
608.26971	0.7
608.37994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1451
Annotation	Luteolin 7-glucuronide-4'-rhamnoside
Peak:m/z	Relative Intensity
61.02914	0.2
69.03416	0.7
70.58554	0.3
73.02918	0.4
75.94961	0.2
77.08056	0.2
81.03410	0.4
82.23765	0.2
85.02910	2.2
90.34798	0.2
95.01320	0.4
97.02885	0.6
103.05456	1.1
105.03375	0.4
113.02367	0.3
123.00775	2.5
127.03898	0.4
141.01794	0.4
141.06947	0.2
151.03905	0.2
151.19894	0.2
167.07007	0.3
167.82896	0.2
169.01295	0.8
225.05469	0.7
253.04922	1.8
270.05182	0.2
271.05984	100.0
272.06342	2.2
287.05408	0.2
301.06940	0.5
343.02554	0.2
353.06277	0.2
361.16516	0.5
447.09167	6.6
448.09561	0.2
546.64740	0.2
547.78107	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	609.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16740	0.4
66.81905	0.4
67.01842	0.5
69.03432	0.6
70.06587	0.7
71.42606	0.4
76.04261	0.4
77.36606	0.4
78.45142	0.4
84.04498	0.7
84.08160	0.4
85.02892	1.8
97.02854	0.4
110.07195	0.6
110.68634	0.4
119.04932	1.5
121.02874	0.7
124.47787	0.4
145.02763	0.6
148.96983	0.4
153.01802	3.4
163.03844	0.8
168.02873	0.8
171.02942	0.5
204.18085	0.4
268.00607	0.4
271.05994	100.0
272.06281	2.6
272.08743	0.4
273.92407	0.4
447.09204	28.6
448.09201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1815
Annotation	Biochanin A 7-O-gentiobioside
Peak:m/z	Relative Intensity
51.73941	0.1
52.82693	0.1
55.01852	0.2
61.02916	0.2
69.03426	0.5
71.43068	0.1
81.03408	0.2
85.02899	1.7
90.58630	0.1
97.02890	0.5
103.05511	0.2
105.03394	0.4
121.21240	0.2
123.00790	0.3
127.03941	0.4
131.04947	0.2
141.01733	0.2
145.04924	0.3
151.03925	1.6
153.01912	0.3
168.05724	0.3
171.02921	0.2
179.04953	0.3
219.10280	0.4
241.05042	0.3
242.05786	0.6
254.05783	0.2
257.08032	0.4
269.04333	0.3
270.05225	46.8
271.05936	6.3
284.03091	0.3
285.07565	100.0
286.07928	3.1
321.07538	0.3
327.08731	0.2
447.13269	1.2
572.90179	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	609.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03481	2.8
55.57710	0.4
58.58500	0.5
65.03928	0.7
67.01852	1.4
68.99780	6.5
69.81761	0.9
69.82150	1.0
70.02943	1.0
77.75075	0.6
80.04994	0.6
91.05449	0.5
92.01347	0.9
92.04977	0.8
95.04928	0.6
96.04494	0.8
98.02406	0.7
98.23399	0.6
103.05479	3.5
104.09848	0.4
104.10696	0.5
105.03409	0.9
107.01340	0.5
108.04459	1.7
109.02884	1.0
110.02402	5.8
120.04445	1.7
121.02849	0.6
121.26102	0.4
124.03934	1.5
131.04918	6.6
136.03929	1.6
137.02351	0.6
138.01854	53.6
138.35188	0.4
139.02193	0.6
140.03413	1.4
141.06947	1.3
144.70720	0.4
144.99042	0.4
148.03917	5.5
149.02321	2.5
150.05481	1.7
153.01807	0.8
156.02895	3.2
163.03938	0.6
164.03435	1.9
166.01352	66.1
167.02180	2.5
168.02904	3.9
169.06477	0.8
176.03418	6.9
177.01860	1.2
177.04230	2.5
178.01347	0.5
178.04987	5.6
180.02742	0.8
184.02412	17.3
185.03177	1.6
189.01849	0.9
190.01326	10.2
190.02914	0.7
191.01938	0.3
191.03401	6.2
192.02737	0.9
193.06038	0.8
194.04472	3.0
195.02736	0.5
197.05971	1.5
204.02917	26.9
205.03557	1.5
206.04498	0.7
208.02379	1.4
214.08649	1.4
218.04517	0.5
219.02881	2.2
221.05618	1.3
222.03969	22.3
223.04407	0.6
224.07089	0.6
225.05458	24.8
226.05730	0.7
232.02415	14.3
233.03004	0.6
235.07559	0.4
236.05556	0.9
242.08121	20.8
243.08464	0.6
249.05069	23.8
250.03349	2.6
257.08096	0.7
263.06976	1.3
266.08005	0.7
267.06155	4.1
270.07593	100.0
271.08054	3.8
272.09134	0.6
291.06662	0.5
294.07669	0.8
295.09546	1.6
308.09167	8.7
309.09747	0.5
323.09003	1.1
336.08630	9.5
340.11789	2.8
340.15305	0.5
353.11295	31.9
354.11761	1.3
355.06839	0.9
371.12344	4.9
506.12686	1.1
564.15747	0.7
578.17828	1.2
592.15601	3.8
609.18085	1.8
610.20886	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	609.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01855	1.5
57.03431	1.3
61.02907	0.7
67.05522	0.6
68.99783	0.7
69.03424	5.1
70.71257	0.6
71.04984	1.0
73.02915	1.0
79.05487	0.5
81.03419	4.6
85.02905	9.9
87.00833	3.8
91.05464	1.8
97.02880	5.1
99.04446	1.7
103.05476	0.6
105.01878	3.3
107.04943	1.1
109.02869	3.1
115.03918	1.5
115.05459	1.5
121.02887	0.5
125.02311	0.5
127.03899	4.9
128.06201	1.7
129.07008	6.4
131.04916	1.9
131.08560	6.4
137.05981	4.9
141.06973	4.5
143.08577	1.3
144.05695	1.0
145.04939	2.2
145.06453	1.5
147.04390	0.7
148.05211	0.5
149.05981	0.6
151.03891	1.0
151.07533	2.0
157.06477	6.3
158.07259	3.2
159.02888	1.8
159.04329	0.8
159.08054	6.9
160.05208	1.1
161.04488	1.4
161.05818	0.8
161.09625	1.0
162.06795	0.6
163.07504	1.0
167.07076	0.7
168.05713	0.5
169.06450	2.6
170.07263	1.6
171.08043	1.9
173.05931	0.9
174.06755	14.1
174.08272	0.8
175.07581	5.2
176.13614	0.4
177.09106	0.8
181.04900	2.8
186.06743	3.1
187.07507	1.4
188.08315	0.8
189.09099	27.4
191.10616	2.3
195.07895	0.4
196.73515	0.4
201.03932	1.0
201.09103	10.4
201.26257	0.5
203.10648	8.4
207.10167	0.6
209.07986	0.7
219.10150	100.0
220.10602	2.7
220.12396	0.4
221.11676	0.5
231.04915	0.6
231.07863	0.5
237.11179	0.5
247.04504	0.8
271.05997	6.5
279.10013	0.7
282.82178	0.5
287.05481	0.4
289.05182	1.3
301.07077	0.5
325.14215	0.8
331.15439	0.7
341.14050	0.6
415.14078	1.0
609.28607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01857	2.5
55.05511	4.1
55.78987	0.7
57.03439	13.6
59.04995	1.2
61.02932	3.4
65.03988	0.7
67.05513	0.9
69.03430	29.7
70.47884	1.6
71.01367	3.8
71.04993	34.2
73.02541	1.3
73.02918	16.4
75.04482	8.6
79.05486	1.0
81.03407	6.1
83.04984	17.0
85.02904	100.0
85.71498	0.7
86.03235	1.2
87.04476	2.7
87.85912	0.7
91.05468	10.7
92.16077	0.7
93.07038	2.5
93.92133	0.7
95.04958	4.4
97.02895	28.4
97.88718	0.6
98.03202	0.8
99.04444	2.9
101.06034	1.0
103.03949	2.0
103.05468	1.1
105.07013	2.5
107.04942	1.3
109.02856	2.0
111.04434	14.0
113.02382	1.8
113.06013	1.7
115.03934	21.4
117.07024	1.5
119.04945	10.4
121.06500	4.3
123.04431	1.4
127.03909	7.1
129.05475	35.3
131.04950	2.2
133.04973	5.9
133.06485	3.2
135.04384	2.3
136.05188	1.9
137.05998	3.1
139.03882	4.9
141.06966	1.1
145.04991	4.2
145.06570	0.8
147.04524	0.9
147.06528	24.7
149.06001	2.4
150.06735	2.1
151.07539	72.2
152.07858	1.7
153.05490	1.8
157.05127	1.1
157.06493	2.6
160.05193	1.2
161.05991	1.9
163.06094	2.2
163.07568	6.4
165.07639	1.9
165.09135	9.9
168.07793	1.5
169.04947	2.3
169.08597	16.3
171.05182	0.7
171.06544	3.2
173.06027	1.1
175.07529	3.3
177.05473	1.0
179.07025	6.3
181.08598	12.6
185.06078	0.9
187.07593	1.1
189.09137	3.0
193.08594	15.8
195.06523	1.2
199.06018	1.0
203.07056	1.4
204.07727	0.9
205.08636	3.1
207.06596	1.4
213.07420	0.9
217.08627	2.8
221.08015	1.1
223.06126	1.3
225.07611	9.5
229.08665	0.9
231.10316	1.3
235.09616	5.1
237.07748	0.9
243.08635	7.0
247.09674	3.0
253.98398	0.9
255.08681	2.4
259.09988	4.4
261.11389	8.3
265.10712	5.5
273.09680	2.6
277.10684	10.3
279.10370	8.7
287.05618	1.1
295.11859	6.3
309.11795	5.7
385.79697	0.7
463.13297	0.9
609.18121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05497	2.5
57.07061	1.8
59.22333	1.4
67.05487	4.6
71.08620	1.9
79.05483	6.1
81.07053	2.4
87.04462	5.8
89.06004	8.4
91.05427	2.1
93.07017	3.2
95.04959	1.8
95.08588	2.5
103.05454	2.3
105.07021	35.1
106.07378	3.1
107.08554	1.6
109.10155	1.8
112.00011	1.4
115.06237	1.3
117.01844	4.9
117.06969	1.8
119.08604	2.9
121.10145	2.8
125.35432	1.3
129.00824	1.3
131.08524	2.2
133.08598	3.8
133.10091	1.9
135.11676	2.4
145.10138	1.6
159.11821	1.4
161.13300	1.5
169.10184	1.4
183.11819	1.6
275.20139	2.3
355.07101	1.7
371.46436	1.7
392.20004	1.6
405.20715	3.6
406.21704	1.6
407.22189	2.0
414.18500	1.3
415.19370	1.6
421.23746	2.1
433.19815	1.7
447.17868	1.9
457.23654	2.0
459.21884	1.8
460.22437	1.4
461.19833	5.3
461.31271	1.3
462.20538	2.0
475.20862	6.2
476.21951	5.8
477.23044	4.4
485.23294	5.7
486.20416	2.5
489.22778	4.1
499.21262	3.4
500.21960	2.4
503.24295	8.5
511.34158	2.6
515.24280	4.7
521.25525	1.7
531.23749	6.0
549.25232	2.0
550.25403	3.8
559.23462	5.1
591.26099	16.3
609.26978	100.0
609.44348	5.6
610.27008	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.66113	1.9
59.11156	1.7
61.91795	1.9
71.43339	2.0
76.95212	1.9
81.07105	2.2
85.39368	1.9
99.60098	2.0
164.44626	2.1
191.19241	1.8
315.93472	1.9
392.19653	2.5
405.20807	2.5
407.22424	3.5
421.23679	5.2
429.21066	3.5
461.19910	6.7
462.20605	2.8
472.22955	3.1
475.21344	8.9
476.22208	7.1
477.22614	4.2
485.23315	8.2
489.23044	5.3
503.24274	4.8
515.24298	7.8
521.25116	4.3
531.23975	16.2
549.24622	3.2
559.23322	8.5
591.26007	31.0
609.26996	100.0
610.26886	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	609.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61774	0.3
53.03922	0.6
54.83678	0.3
55.01853	0.3
55.05500	0.4
67.05486	0.6
68.18236	0.3
69.03426	0.4
69.07055	0.6
76.93360	0.3
78.03450	1.9
79.04223	0.5
79.05478	0.7
80.05010	6.1
81.03408	13.3
81.07043	0.9
82.38940	0.3
83.04955	0.6
84.43604	0.3
91.05473	0.8
93.07023	1.3
95.04937	0.8
95.08607	1.4
96.04491	3.9
97.02895	1.6
97.06532	0.6
101.02393	0.5
105.07004	2.0
106.02898	1.5
107.04966	0.3
107.08598	1.5
109.06544	0.4
109.10171	0.4
115.03940	0.4
117.06994	0.7
119.08569	3.1
121.10119	0.9
123.08026	0.4
124.03940	100.0
125.04278	1.3
125.05990	0.3
129.05469	0.6
129.07002	0.8
131.08559	1.4
133.10104	1.5
135.08063	0.6
141.05453	8.4
141.06998	0.4
142.07770	1.1
143.08539	1.4
145.10112	2.9
147.08060	0.5
147.11670	0.5
154.07848	0.4
155.07066	0.6
155.08545	1.5
156.09308	1.4
157.10097	3.2
159.07994	0.7
159.11691	1.8
161.09653	0.5
168.09319	0.4
169.10091	2.1
170.10872	1.6
171.11690	2.8
173.09653	0.7
173.13220	2.2
177.09152	0.4
179.08597	0.4
181.08623	0.5
181.10121	1.3
182.10838	0.5
183.11728	2.4
184.12451	1.0
185.09653	0.7
185.13254	3.1
187.11263	0.6
187.14821	3.1
189.09140	0.4
192.09236	0.5
193.10149	1.2
195.11696	1.1
196.12416	1.5
197.09578	0.7
197.13280	2.6
198.13972	0.7
199.14807	1.7
201.12721	0.4
201.16370	0.9
205.10129	0.6
207.11707	1.8
209.13297	2.0
210.14027	0.8
211.11183	1.1
211.14774	5.1
213.16364	6.8
214.16818	0.4
215.10634	0.4
215.14348	0.5
219.11691	0.8
220.12434	1.3
221.13257	1.4
223.11157	0.5
223.14781	1.8
225.12822	1.0
225.16328	2.4
227.14404	0.4
229.15892	1.2
234.13982	1.1
235.14778	4.3
236.15120	0.4
237.16196	0.6
239.18010	0.5
243.17500	0.6
245.11798	0.6
249.16351	5.0
253.12180	0.6
253.15811	3.9
255.13791	0.5
267.14053	0.5
267.17441	2.7
271.13220	0.3
271.16907	1.2
277.15805	0.9
285.18451	1.2
289.18283	0.3
295.16922	3.0
297.18515	0.6
299.20068	1.1
309.18481	3.0
313.18005	1.4
327.19482	4.4
345.20547	5.7
363.21823	0.4
436.21356	0.5
486.24854	0.7
617.86066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00037	1.2
67.05495	1.2
69.60330	1.0
69.60670	3.8
73.04736	1.1
79.05476	1.1
81.07069	1.6
83.04996	1.1
91.05810	3.0
93.07046	1.0
100.11259	2.4
124.03963	2.9
133.10141	1.2
138.05489	1.3
140.03500	1.1
145.10165	1.2
147.04443	2.1
182.15607	1.0
203.05292	1.6
205.06639	0.9
210.14975	1.0
226.16478	1.0
239.09570	1.4
245.06398	3.2
253.55984	1.0
258.67230	1.0
260.13995	1.0
275.16422	1.1
285.00983	1.2
285.04065	0.8
287.03732	0.9
289.05270	24.8
299.05963	1.1
327.01828	1.2
343.22388	19.3
345.02969	6.6
345.23947	1.1
355.07016	3.2
360.01636	1.9
361.02252	1.2
361.23605	2.7
375.03952	1.6
378.02667	1.6
505.27899	1.3
523.28693	4.9
547.19836	1.5
547.28668	2.6
565.20630	3.2
565.29688	23.9
566.30859	1.3
572.88812	1.0
573.26593	1.1
591.27728	9.7
609.07556	4.3
609.20551	4.1
609.28717	100.0
610.29547	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	609.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.05502	1.0
56.80853	0.3
67.05495	2.6
69.07064	0.8
74.09715	0.3
78.03455	2.6
79.05498	2.2
80.05022	3.4
81.07057	3.6
83.04984	0.7
83.08608	0.5
91.05431	1.9
93.07040	3.0
93.58932	0.3
95.04962	0.4
95.08596	2.7
96.04488	3.6
97.06512	0.8
97.10172	0.4
105.07041	3.3
106.02914	5.8
107.08588	3.1
108.04468	2.4
109.10152	1.6
111.08097	0.4
115.05442	0.3
117.07007	1.7
119.08580	2.8
121.10143	1.2
123.11710	0.7
124.03946	100.0
125.04280	1.0
126.05570	0.3
129.06990	0.7
131.08554	2.9
133.10120	2.1
135.11696	0.8
138.05580	0.3
141.06923	0.3
143.08545	1.3
144.09286	0.4
145.10120	2.3
147.08051	0.3
147.11690	1.1
149.09573	0.5
149.13246	1.0
155.08534	0.7
156.09346	1.0
157.10117	2.1
159.11719	3.0
161.13252	0.9
163.11153	0.3
167.05576	0.4
168.09422	0.4
169.10127	1.1
170.10876	0.4
171.11667	3.5
173.13251	1.5
175.14732	0.5
181.10173	0.4
182.10922	0.4
183.11697	0.9
185.13281	1.4
186.14008	0.4
187.14816	1.3
197.13263	1.3
199.14810	1.3
201.16389	0.4
211.14799	0.9
213.16393	0.6
215.17984	0.3
229.15778	0.3
239.18056	0.5
248.12775	0.4
267.21078	1.3
285.22183	0.9
303.23087	0.3
335.03287	0.3
342.20178	0.4
355.07053	0.6
398.26758	0.9
408.25302	15.3
409.25696	0.8
426.26337	10.5
427.26813	0.6
531.28833	0.8
549.29529	6.1
550.29541	0.5
609.31903	3.4
610.94568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
51.02380	0.6
53.03941	1.8
55.01861	1.5
55.05507	13.4
57.03436	4.4
57.07069	1.8
59.05014	1.1
65.03932	1.3
67.05499	25.8
69.07060	11.1
71.04988	1.3
73.02931	0.9
73.06555	0.6
77.03914	0.9
79.05486	20.0
81.07050	23.3
83.04988	0.8
83.08615	5.8
85.06559	1.7
87.04465	5.1
89.06023	6.3
90.06369	0.6
91.05462	15.8
92.05846	0.5
93.07034	18.0
95.04968	3.8
95.08594	19.2
96.05278	0.5
97.06542	2.0
97.10152	2.9
103.05426	2.4
105.04567	0.9
105.07021	49.3
106.07346	4.4
107.08585	11.3
107.41725	0.6
109.06558	1.1
109.10140	8.3
111.08097	0.7
115.05454	2.0
117.07003	10.3
119.08567	13.8
121.06586	0.9
121.10139	6.8
123.08067	0.7
123.11698	2.9
124.23103	0.5
125.09631	1.7
127.01588	1.5
127.41486	0.5
128.06224	3.0
129.06990	10.7
130.07806	0.7
131.08549	15.0
133.08633	3.1
133.10118	9.6
133.11018	0.8
134.08934	0.7
135.11673	4.5
137.09660	0.9
137.13266	1.3
139.01523	0.6
139.11351	0.6
141.06963	5.4
142.07765	3.2
143.08549	12.8
143.09621	0.9
144.09340	1.0
145.10100	14.0
145.11206	0.8
147.08066	1.4
147.11676	5.2
149.13272	2.1
151.14883	0.5
153.03131	1.1
153.07022	1.0
154.07796	1.9
155.08528	12.0
156.09311	2.0
157.10106	12.6
159.11678	9.3
161.13158	3.2
163.14835	1.3
165.07085	2.0
166.07706	0.6
167.08546	5.6
168.09341	1.5
169.10118	14.0
170.10953	0.7
171.11662	11.7
173.13245	5.9
175.14885	1.9
177.11183	1.1
177.16417	0.6
178.07849	0.6
179.08594	2.3
180.09348	1.2
181.10091	8.4
182.10939	1.4
183.11662	13.7
184.12457	0.6
185.13242	8.6
187.14838	3.6
189.16399	1.3
191.08472	0.5
193.10007	2.8
194.10941	0.6
195.11670	8.4
196.12515	1.0
197.13226	10.5
198.13667	0.6
199.14809	6.1
201.16389	2.7
203.17966	0.8
205.10196	1.1
206.10825	0.5
207.11586	3.1
209.13261	7.0
210.13680	0.6
211.14793	7.5
213.16380	4.3
215.18158	0.9
219.11751	0.7
221.13252	2.9
223.14789	5.3
225.12767	1.2
225.16386	5.0
226.17139	0.5
227.18130	2.5
229.19545	1.1
233.13319	1.0
235.14735	2.7
237.16336	3.7
239.17953	2.3
241.19554	1.9
247.14758	1.2
249.16481	2.3
251.14435	0.9
251.18037	2.6
253.19633	1.5
255.21335	0.8
257.19135	0.7
261.16342	0.7
263.18008	1.3
265.19608	1.4
267.21298	0.8
279.21130	1.0
283.20712	0.6
285.01019	0.6
291.20932	0.7
293.18991	0.7
297.22156	0.8
307.23837	0.7
309.22305	1.0
311.23636	1.1
313.21631	0.8
316.11130	0.6
321.22186	1.1
323.23630	1.4
325.21799	0.7
329.19165	0.7
335.23352	0.6
337.25320	1.3
339.27020	1.0
349.25375	1.0
351.22873	0.7
351.26837	2.2
353.24762	0.8
355.26382	0.8
363.26727	0.8
365.28488	1.7
377.28534	1.2
379.25818	0.7
379.30283	0.7
381.27844	0.8
383.29367	0.8
391.30121	0.7
409.31256	1.0
419.22159	0.8
435.33102	0.6
447.32541	1.7
461.34421	0.7
499.39410	1.8
501.35818	0.8
515.37946	0.8
517.40387	13.4
518.40765	1.2
521.24261	1.7
535.41626	6.0
539.37274	2.1
549.24207	0.9
553.40094	0.7
573.42731	1.4
581.26074	0.9
591.43939	13.9
609.26196	12.9
609.45099	100.0
610.26782	0.9
610.45441	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	609.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	27.0
57.07073	9.1
58.12960	3.8
58.44604	3.9
60.71294	4.2
65.03930	6.3
66.00231	3.7
67.05508	46.8
69.07064	22.1
69.72836	8.1
71.08615	6.6
79.05486	37.3
81.07056	86.1
83.04984	20.5
83.08629	5.8
91.05465	54.5
93.07047	51.8
95.04982	27.1
95.08607	62.8
97.06536	4.8
105.07028	100.0
107.08591	68.0
109.06483	4.6
109.10165	28.5
117.06988	21.6
119.08575	59.8
121.10158	24.1
123.11671	8.7
129.06998	12.1
130.07777	4.8
131.08557	36.8
133.10139	70.3
135.11671	17.1
142.07817	8.1
143.08533	14.4
145.10123	52.0
147.11653	30.4
149.13255	9.8
155.08475	7.0
157.10141	21.2
159.11717	34.2
161.13278	14.9
169.10057	8.0
171.11678	16.5
173.13258	17.2
175.14798	8.1
183.11667	6.1
184.12314	4.3
185.13274	12.2
187.14781	14.8
189.16414	5.3
193.51234	4.2
194.33252	4.7
197.13179	5.7
199.14799	12.1
201.16397	21.0
211.14844	6.2
213.16344	6.8
225.16267	4.9
305.60712	4.5
335.27386	9.7
353.28391	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	610.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
53.34033	1.7
55.05510	11.9
57.17753	2.5
64.50096	1.9
67.05497	11.1
68.19464	1.8
69.03419	41.7
69.07043	1.9
71.34808	2.6
73.04745	7.0
74.05040	1.9
74.35921	2.0
79.05489	8.2
81.03416	22.0
81.07054	5.7
83.04972	38.0
85.85436	1.8
91.05426	9.5
91.05817	10.4
93.07024	10.8
95.04943	9.2
95.08601	6.9
97.06542	2.3
103.05444	1.7
104.90514	1.7
105.07021	18.4
107.04958	2.3
107.08575	8.1
109.02876	2.9
109.06510	5.5
111.04432	66.3
117.06999	15.0
119.08592	13.6
123.08047	1.9
124.03938	5.3
128.06236	4.6
129.07016	8.2
131.08553	31.3
133.06435	3.3
133.10123	6.2
135.08041	4.0
141.07030	3.6
142.07816	2.2
143.08548	13.9
144.09344	1.9
145.06461	2.7
145.10127	23.7
147.08026	2.9
147.11638	2.8
149.13280	1.9
155.08514	11.1
156.09317	5.9
157.10114	14.1
158.10883	4.0
159.08081	3.9
159.11668	12.5
161.09692	3.0
161.13217	1.9
163.11121	2.9
167.05569	7.1
167.08540	6.2
168.09326	5.3
169.10132	7.6
171.11649	12.3
173.09618	4.9
173.13243	58.3
174.13562	2.0
175.11229	3.0
179.08540	3.2
181.10056	5.1
183.07979	1.9
183.11639	12.8
185.09601	3.6
185.13202	4.3
189.12711	6.4
191.10609	4.1
191.14206	4.8
193.10085	4.9
195.11632	7.4
197.13258	4.7
199.11192	3.8
201.12686	13.2
207.11688	3.0
209.13327	2.3
219.11813	3.1
219.13733	16.0
221.13228	3.6
229.12148	2.4
232.12421	3.1
239.09412	4.7
239.14212	3.0
247.13132	4.2
265.15811	5.4
268.97675	2.5
285.00989	7.2
299.06152	4.3
311.16299	5.5
329.17480	8.5
347.18512	5.3
355.06973	15.3
389.19537	100.0
390.19806	3.8
418.99075	2.2
487.22620	4.5
550.31268	3.0
610.25421	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	610.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31737	0.6
53.03942	1.3
55.01873	3.5
57.03181	0.6
57.03437	7.9
59.04984	0.8
61.02925	8.1
68.08951	0.5
69.03426	16.8
69.33327	0.9
69.33710	1.2
71.01330	1.6
71.04983	1.3
73.02914	27.3
73.04767	0.8
78.03461	0.9
81.03414	4.5
85.02901	52.4
87.04470	2.2
91.03951	1.9
91.05797	2.9
96.04488	100.0
97.02889	25.4
97.04839	0.8
99.04449	2.3
101.05994	0.7
103.03928	0.9
109.02871	5.4
115.03923	9.2
127.03909	15.5
133.04955	9.5
136.07567	2.0
137.02354	0.8
145.04950	22.1
152.80286	0.6
154.08623	72.5
155.08968	1.4
163.05986	6.6
167.05611	0.9
203.03513	0.7
221.10193	2.4
223.06032	1.8
239.09569	1.2
241.07127	1.9
259.08209	2.1
268.97934	0.7
271.05917	0.7
277.08987	0.8
285.01056	1.2
286.12842	1.5
299.06183	1.4
303.05115	0.9
311.05591	1.4
316.13885	7.3
323.05527	1.0
341.02100	0.6
341.06595	2.2
353.06638	1.5
355.07022	2.6
365.06406	0.8
371.07498	0.8
395.07495	1.3
407.07846	0.7
425.08566	1.1
443.09415	1.2
448.18152	5.3
473.10773	1.5
478.18707	3.4
491.12378	0.6
497.10831	0.8
610.23285	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	610.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
56.58509	0.4
57.03426	2.6
60.04513	0.4
67.05529	0.6
69.03428	2.4
70.06583	1.0
70.55484	0.8
71.04989	15.2
73.04746	1.1
75.04472	0.5
77.03895	0.5
81.03409	1.1
83.04977	2.0
85.02904	17.8
85.03414	1.0
87.04471	0.8
91.05791	1.8
94.10895	0.4
95.04948	0.9
97.02900	4.8
99.04424	0.9
103.05463	16.4
105.27888	0.5
111.04433	1.7
117.98104	0.4
124.56428	0.4
125.09570	0.4
127.03906	0.6
129.05479	5.7
131.04922	100.0
132.05240	1.1
137.05992	0.7
145.05017	0.9
146.08124	0.5
147.06541	2.4
149.05984	4.5
151.03879	1.5
151.07317	0.5
163.63116	0.4
164.09218	1.2
165.05542	0.5
167.05560	0.7
203.46758	0.5
233.08047	0.7
239.09311	0.8
268.98090	0.5
271.05948	1.0
272.06415	0.6
275.09155	1.4
277.10706	0.6
285.01123	0.7
293.10178	18.4
294.10437	0.4
299.05820	1.0
309.72784	0.5
315.08633	1.9
316.08975	2.3
326.14578	0.7
329.10080	0.6
340.11725	0.8
342.13379	0.6
343.15448	0.8
344.15735	1.4
355.06982	1.3
362.16745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
57.03431	1.3
64.82897	0.8
69.03417	1.8
69.24918	2.7
70.97292	0.7
71.04642	0.9
71.04993	12.3
73.04752	2.3
78.04694	0.6
81.03394	1.0
85.02900	13.6
87.04460	1.3
89.03919	2.3
89.06027	1.0
91.05820	4.4
97.02886	3.9
107.04924	1.1
109.85413	0.6
117.03371	3.1
121.04603	1.1
124.03988	0.8
127.01584	1.7
129.05444	4.6
133.08630	0.9
135.04448	6.7
137.05980	0.8
145.02864	9.0
147.06561	1.2
153.03108	2.1
163.03893	100.0
164.04236	1.0
177.05417	1.1
181.04968	2.2
196.03775	0.8
222.08174	0.8
239.09491	2.5
268.97946	1.2
285.00922	2.1
291.08508	0.9
299.06265	1.3
305.58365	0.9
307.08011	1.0
325.09131	16.6
355.07095	3.7
418.99521	1.0
471.14709	1.0
567.32135	0.9
592.27802	2.1
610.29626	3.9
611.22406	1.1
611.30377	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	610.3006
Annotation	Ergocristine
Peak:m/z	Relative Intensity
51.40770	0.1
52.77738	0.1
53.03926	0.1
57.73706	0.1
65.03938	0.5
67.01853	0.1
67.05502	0.2
68.99801	0.1
69.03413	0.2
69.12238	0.6
70.54398	0.1
73.04736	0.4
78.03452	0.1
79.05466	0.2
81.03380	0.2
81.07057	0.1
81.82664	0.1
85.02910	0.1
87.04436	0.1
89.06017	0.4
91.05841	0.8
92.04990	0.9
93.05768	0.3
94.06559	4.5
94.07161	0.3
95.04956	0.1
96.04479	0.7
97.02897	0.1
98.23440	0.2
103.03958	0.2
105.07018	0.2
109.02856	0.2
110.06033	3.9
119.04975	0.2
119.08546	0.2
119.40842	0.1
121.02861	0.8
124.03919	0.4
127.03893	0.2
133.08569	0.2
137.06067	0.1
138.05487	100.0
139.05830	1.2
145.02821	0.2
147.04382	0.1
149.02370	0.2
154.04901	0.2
163.03882	0.1
167.03473	0.3
167.05530	0.2
175.11249	0.1
239.09518	0.4
247.06015	0.4
255.06493	0.9
266.99683	0.1
267.06540	1.1
268.97913	0.3
281.04568	0.1
283.06421	0.2
283.09637	0.9
285.00980	0.3
295.06015	2.1
299.06119	0.3
299.09207	0.4
303.02090	0.1
305.08002	0.2
307.05869	0.1
326.14273	0.1
355.07056	0.7
355.11038	0.2
362.17300	0.2
373.07611	0.1
385.10806	0.1
403.11578	0.2
521.16144	0.2
529.12769	0.3
537.14716	0.2
539.17200	0.2
547.13684	0.1
566.37823	0.1
567.31067	0.1
575.13342	0.4
593.14435	0.8
610.30042	29.7
611.15277	0.3
611.19928	0.1
611.30273	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.05502	2.8
57.06812	2.6
57.07074	30.9
59.04993	5.6
67.05495	4.5
68.81446	1.3
69.07068	5.9
69.85811	1.7
69.86141	3.4
71.08627	51.5
73.02895	2.5
73.04753	5.7
73.06548	2.5
76.53543	1.5
77.03910	1.7
78.99490	1.7
79.05489	11.2
81.07051	5.3
83.08607	4.1
85.10181	28.2
87.04465	18.2
89.06026	26.0
89.89853	1.4
90.04670	1.9
90.06381	1.4
91.05390	20.7
93.07038	12.6
95.04970	8.3
95.08601	4.7
103.05469	9.0
103.07580	2.5
105.04517	2.9
105.07023	100.0
106.07357	17.5
106.51382	1.4
107.04961	3.6
107.08566	8.1
113.00013	6.6
115.05461	2.1
117.06989	3.8
118.07784	2.5
119.04926	5.5
119.08599	9.4
121.04559	1.8
121.06493	32.8
121.10132	3.7
127.01563	45.9
129.07016	1.7
131.07036	5.0
131.08568	5.0
133.08603	18.0
133.10129	2.4
135.08070	3.8
135.11681	2.1
136.35185	1.5
139.01534	18.6
145.10170	3.9
147.08000	13.0
149.09619	6.0
153.03107	54.7
159.11646	2.0
163.11183	3.7
165.09134	12.7
167.05580	5.0
167.10675	3.2
173.09604	2.4
173.13324	1.7
175.11038	2.2
177.11214	4.1
177.12692	2.0
183.04166	6.7
191.10614	2.7
197.05713	18.9
198.65987	1.8
209.11742	4.5
221.58992	1.8
227.06721	3.3
235.13231	2.3
239.09398	5.1
241.08369	6.3
247.20596	20.7
253.14175	2.5
255.15926	2.8
266.99875	2.3
271.09348	2.8
273.22189	3.4
285.00906	4.6
285.10898	2.0
289.25357	2.5
291.23151	46.8
299.06161	4.6
335.25754	4.1
355.06848	11.6
378.35516	1.8
459.05716	2.0
467.20209	10.6
470.45200	2.1
593.34460	17.9
610.45337	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	611.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01855	0.8
57.03427	0.4
60.53272	0.6
65.03931	4.1
67.01860	6.6
67.05505	0.7
68.99772	2.5
69.03436	0.8
71.42336	0.5
73.04750	0.7
76.38820	0.4
79.05474	0.8
80.95565	0.5
81.03415	1.6
81.07059	0.9
83.04939	0.4
83.08642	0.7
85.32069	0.4
87.04458	1.4
89.06034	1.2
91.05413	1.5
91.05839	1.4
93.07008	0.8
95.04981	1.3
95.08598	3.3
97.06536	0.8
100.11257	1.2
103.03951	4.2
103.05434	0.7
105.07008	1.0
107.04935	0.9
107.08578	0.5
109.02844	0.6
109.06515	0.6
111.04454	1.3
113.57431	0.4
115.05433	0.5
119.04153	0.8
119.04934	7.6
121.02853	36.4
121.03918	1.9
123.08035	0.9
124.03951	2.2
127.01569	0.6
127.03825	0.7
129.76549	0.5
131.04924	1.1
133.08580	0.5
137.02319	1.3
141.01840	0.6
141.09055	0.6
145.02826	7.1
145.06558	0.7
147.04387	1.1
148.97208	0.5
149.02330	11.8
153.03104	0.7
155.03406	0.5
156.13863	0.7
157.06416	0.5
159.04402	0.5
161.05936	0.6
163.03876	4.8
165.01825	1.2
165.05518	1.1
165.06880	0.6
167.03381	17.4
167.05482	0.7
171.04294	0.5
173.05974	1.1
177.01825	2.2
177.05473	1.3
181.01317	1.3
181.06499	0.9
183.04398	0.5
184.16899	0.8
187.03896	2.7
187.07532	0.8
189.01770	0.6
191.03255	0.6
195.02881	1.3
197.05847	1.4
201.05495	0.9
203.06953	1.0
205.04846	0.7
210.14850	0.8
211.03938	1.2
213.01875	1.1
213.05440	1.1
215.06966	0.7
217.05035	1.0
219.06406	0.6
221.08087	0.5
227.07091	0.6
229.04980	2.6
231.02773	1.1
237.05444	1.1
239.06894	1.3
239.09262	1.1
240.07787	0.7
241.04982	1.7
241.08250	0.6
247.05981	25.3
248.06293	1.0
251.07037	0.9
254.05682	2.8
255.06490	52.0
256.06815	1.7
257.04501	2.1
265.04810	1.5
265.07272	0.6
265.08658	0.4
267.06497	46.0
267.09625	1.5
268.07098	3.1
269.04465	0.5
271.05893	0.7
273.07492	0.6
276.07849	1.0
277.08566	4.4
279.06290	1.2
281.04932	2.4
281.08072	2.3
283.06049	7.1
283.09576	38.5
284.06726	1.6
284.09811	0.9
285.14542	0.6
291.06421	1.6
291.10303	0.6
292.07199	0.7
293.04645	1.2
293.08032	4.8
295.05984	100.0
296.06281	3.3
297.07446	0.7
299.06030	1.0
299.09082	23.2
300.09506	1.0
301.06888	0.6
303.06522	0.5
304.07297	1.0
305.08090	3.4
307.05920	2.1
307.09601	1.5
309.03873	0.7
311.05600	2.0
311.09140	5.1
312.08170	0.5
315.06500	0.7
315.10129	0.7
317.08112	0.9
319.09659	1.2
321.07587	0.6
323.09146	0.6
325.11343	0.5
327.09979	1.1
329.07990	0.9
331.05963	2.5
332.06583	0.7
333.07568	0.6
335.05545	0.6
335.09164	2.4
337.10757	2.2
339.10242	0.7
341.08047	0.7
344.06622	0.9
345.07553	1.1
345.11447	0.6
345.16949	4.3
349.07150	3.0
351.08475	1.1
355.06070	1.1
355.11505	2.2
356.06979	1.1
357.11240	1.2
359.05392	1.3
359.12848	0.6
360.06119	1.3
363.17975	2.1
365.08038	0.7
373.07083	0.7
383.04974	1.2
383.09219	1.3
385.10864	1.1
401.10086	1.3
403.11569	2.0
409.10883	0.6
411.08600	2.5
413.10568	0.8
427.11725	0.9
429.09671	2.1
431.11462	1.7
437.10309	1.0
439.07990	1.4
455.11191	1.8
457.09192	2.3
473.11401	2.1
475.10446	1.2
486.10834	1.3
490.19620	0.6
491.10828	1.3
495.10983	0.6
501.08575	1.2
501.13141	1.9
511.11575	1.2
513.13666	0.9
514.10376	1.4
515.10901	1.2
516.11725	0.6
518.09344	1.2
519.14423	1.4
521.15808	0.8
529.12830	7.1
529.21301	0.7
531.14423	2.9
537.15454	5.9
539.16992	1.6
546.08911	0.7
547.14178	5.3
549.30341	0.6
557.12250	4.5
565.14911	6.1
565.77551	0.5
567.31183	0.6
575.13312	23.7
576.13293	1.9
583.16357	4.1
593.14362	45.7
593.28009	3.0
594.14716	3.9
610.48639	0.8
611.14972	4.5
611.30414	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	611.1606
Annotation	Cyanin
Peak:m/z	Relative Intensity
55.01872	0.4
57.03416	0.4
61.02913	0.5
67.01860	0.6
68.99787	0.5
69.03426	1.5
69.32730	1.2
70.06575	0.8
76.02219	0.4
78.65855	0.2
81.03407	0.9
84.04493	0.3
84.08119	0.4
85.02896	5.8
86.09713	0.5
86.25945	0.2
88.41455	0.2
89.03879	0.3
91.03918	0.3
91.05784	0.7
97.02869	1.5
98.23449	0.5
99.04407	0.4
106.20008	0.2
109.02895	0.4
127.03915	1.1
135.04398	1.7
137.02373	0.4
145.04935	0.8
153.01816	5.2
161.02290	0.4
163.05960	0.3
171.02925	0.6
179.03334	0.3
179.04807	0.3
185.34854	0.2
227.09654	0.2
241.04959	0.5
269.04416	0.4
287.05472	100.0
288.05768	2.6
303.04739	0.2
323.13489	0.3
329.06357	0.5
356.06912	0.5
383.28189	0.2
435.22119	0.4
571.07074	0.2
611.26196	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47363	0.3
54.17429	0.3
55.76070	0.3
57.03428	0.5
61.02916	0.9
69.03426	1.9
69.21155	0.7
69.21563	0.9
69.95918	0.3
70.06586	0.8
73.02925	0.5
73.04760	0.6
81.03407	0.6
85.02905	7.8
86.09711	0.3
91.03925	0.5
91.05789	0.7
91.36882	0.3
95.01320	0.4
97.02882	3.3
98.22691	0.6
109.02877	0.6
119.04948	2.9
121.02872	0.6
123.00790	2.4
127.03912	1.4
138.05510	0.6
145.04956	1.6
145.10080	0.3
151.03888	1.3
152.04201	0.4
163.06007	0.5
167.05708	0.4
169.01291	2.0
182.08112	0.8
213.05455	0.6
217.08434	0.4
217.27872	0.3
226.37819	0.3
241.04837	0.7
245.04381	0.3
269.04382	1.9
287.05481	100.0
288.05774	3.1
288.43369	0.3
303.05185	0.6
345.17059	0.4
356.07092	0.5
361.02209	0.8
374.20016	0.4
449.04294	0.3
449.10458	0.6
456.50003	0.3
611.08740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03933	0.3
55.01856	0.3
57.03424	0.3
59.85323	0.2
61.02909	0.6
67.05502	0.2
67.19792	0.1
67.69709	0.1
68.99783	0.3
69.01939	0.2
69.03425	1.5
70.06590	1.2
71.04974	0.3
73.02912	0.2
73.04749	0.3
81.03400	0.8
81.07079	0.2
85.02899	6.5
87.00866	0.4
91.03941	0.3
91.05416	0.4
91.05880	0.3
95.01301	0.4
97.02895	1.8
99.04464	0.3
107.04969	0.2
109.02884	0.7
119.04936	2.7
121.02828	1.0
123.00781	3.6
127.03923	1.7
131.04904	0.3
133.06470	0.2
137.05980	1.3
141.01805	0.5
145.02841	0.3
145.04929	1.2
147.04420	0.6
151.00298	0.2
157.06467	0.2
163.03944	0.2
163.07541	0.4
169.01323	1.9
173.06030	0.2
183.14877	0.2
195.04431	0.2
217.08482	0.2
241.04974	0.9
245.04442	0.5
269.04431	2.5
286.04510	0.2
287.05475	100.0
288.05814	3.4
299.06186	0.2
309.08582	0.2
315.15988	0.3
327.15973	0.5
344.18375	0.2
345.17056	0.4
355.06873	0.4
356.07089	0.4
363.17905	0.9
383.19363	0.2
465.70212	0.2
531.15979	0.2
611.25714	0.2
632.86743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Cyanin
Peak:m/z	Relative Intensity
65.25401	0.1
68.99773	0.2
70.21797	0.3
70.22123	0.1
73.04742	0.4
73.57373	0.1
88.59570	0.1
91.05762	0.6
111.00819	0.2
115.05412	0.2
135.52644	0.1
136.81674	0.1
137.02336	1.3
143.04990	0.2
149.02354	0.2
155.52980	0.1
157.06439	0.4
165.01765	0.2
167.05525	0.2
171.04402	0.2
179.87743	0.1
185.05943	0.5
189.05501	0.4
206.66460	0.2
213.05386	1.4
216.04120	0.2
231.06464	0.5
241.05013	0.7
242.05658	0.2
259.05997	0.2
268.51749	0.2
269.04385	0.4
287.05469	100.0
288.05765	2.5
355.06796	0.2
356.07111	0.4
449.10760	11.0
450.11014	0.4
611.16071	1.0
615.78632	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	611.1607
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
53.03952	1.9
57.03428	2.3
60.09679	1.7
60.18114	1.8
61.02916	2.7
69.03408	2.4
70.99397	2.7
73.02897	4.3
73.04780	2.3
80.93526	2.3
81.03414	3.9
85.02892	15.5
93.03398	2.5
96.04478	14.8
97.02914	8.6
97.04803	3.9
107.04967	2.2
109.02869	4.0
127.03905	4.1
131.08910	1.8
135.04420	7.9
137.02339	33.3
145.04918	3.9
147.04399	2.2
154.08643	7.3
155.08905	2.0
159.04402	2.3
161.02313	4.7
163.03963	2.1
171.04411	2.8
177.01860	4.9
177.05518	2.0
179.03412	5.4
187.03964	2.6
189.01874	9.4
190.02507	1.8
191.03398	6.3
195.02901	8.4
201.01704	2.8
202.16194	2.0
203.03366	12.3
205.05040	3.4
207.02898	8.9
213.05481	2.4
215.03435	3.9
217.04994	5.1
219.02921	8.7
229.04918	4.1
233.04419	3.6
239.07060	2.2
255.02992	2.5
257.04535	3.0
279.06433	2.4
283.06012	3.4
284.06775	5.1
285.03995	4.4
287.05579	2.6
295.06018	7.9
297.07639	6.5
299.05573	8.5
300.06473	3.1
309.07330	4.4
310.04694	22.5
310.08023	3.3
311.05484	85.2
312.06140	7.8
313.07056	11.2
320.06616	2.7
321.07535	4.0
323.05453	57.9
323.09293	3.7
324.06152	18.5
325.07059	16.6
329.06512	6.3
335.05444	7.3
335.09122	2.6
336.06186	3.3
337.07025	30.7
338.07806	10.8
339.04898	3.3
339.08670	4.4
341.06531	100.0
342.06464	4.3
349.07056	12.4
350.07480	2.4
351.05063	2.5
351.08707	15.2
352.05582	1.9
353.06528	56.4
353.10803	2.9
354.06635	2.6
356.07156	3.4
361.07086	2.1
363.08627	11.8
365.06561	31.6
365.10928	2.7
367.08084	25.4
369.05762	2.3
371.07556	24.5
377.06400	19.0
377.10260	2.6
379.08014	5.2
381.09695	13.4
383.07709	4.4
389.06482	5.5
391.08197	12.8
395.07617	58.2
396.07269	3.2
401.06317	2.4
403.07983	2.8
405.09869	2.3
407.07574	31.0
409.09152	2.2
419.07611	19.9
425.08646	45.3
431.08554	3.3
437.08658	21.6
443.09744	46.2
444.10229	2.5
449.08792	4.6
455.09659	31.8
461.09439	6.0
473.10809	97.1
479.09573	5.8
491.11981	17.7
497.10696	33.6
497.17853	2.1
498.11203	2.8
503.09796	3.3
509.10623	3.2
515.11713	20.3
521.10675	7.6
527.11859	27.1
539.11841	28.7
545.12793	9.8
557.12823	30.4
558.13318	2.0
575.13892	26.3
593.15302	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	611.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22655	0.6
55.01873	0.7
65.03917	1.4
68.53446	0.5
68.99778	1.5
69.03413	1.2
69.07705	1.9
69.08124	2.2
70.06590	3.7
73.04757	1.8
74.06961	0.5
81.03395	3.6
83.01307	0.8
85.02877	1.4
91.05829	1.4
93.03399	0.7
95.01299	1.0
95.04955	1.9
96.07603	0.6
97.02910	0.9
103.05463	6.6
105.03389	1.0
108.02074	1.2
109.02866	1.3
110.06019	1.1
111.04421	1.3
119.04971	0.6
125.05975	1.6
128.20874	0.5
131.04912	17.9
138.01837	1.3
139.00212	1.0
140.03391	0.7
141.05417	1.3
147.04405	0.7
151.00351	1.0
151.03897	44.6
151.04994	4.0
152.04277	0.8
153.06915	0.6
166.01328	1.7
167.02156	1.4
168.02937	0.9
169.01346	1.0
169.04982	3.7
173.90462	0.6
178.01334	1.3
181.01312	1.2
185.03104	1.0
192.02881	1.2
198.01613	0.8
199.02335	1.5
199.03958	0.9
205.04913	0.9
207.02858	1.6
208.02399	0.6
208.05879	0.6
212.01616	0.6
212.07072	0.7
218.00711	1.0
221.04362	0.9
224.01903	0.6
236.05310	0.8
238.06242	2.2
239.09473	0.8
241.04895	4.7
246.04045	0.6
249.05235	0.6
254.05878	0.7
255.06503	15.7
256.02426	1.0
266.05753	1.6
267.06546	3.1
268.01086	0.7
269.04477	3.9
270.05069	1.3
270.07648	1.4
271.05862	0.9
272.01813	1.2
273.99753	0.9
280.06091	1.2
282.07642	0.9
283.05972	16.1
284.06769	18.3
285.07550	3.0
286.00745	0.7
288.01416	0.8
295.07919	2.8
297.99750	1.1
298.06946	0.7
299.09116	100.0
300.06311	1.0
300.09464	2.3
307.02039	0.8
313.09103	1.0
316.00842	2.4
326.13812	0.8
334.01941	1.6
340.00974	0.8
340.11850	1.6
342.13312	2.4
344.00296	0.7
355.07053	1.5
356.06955	1.2
368.00183	0.7
376.08170	1.0
384.12198	1.7
392.07529	0.6
402.06091	0.7
413.76260	0.6
420.07031	2.8
444.06900	1.1
449.12268	4.6
472.06403	1.2
489.09027	1.4
490.07758	1.8
496.13550	1.3
506.12247	2.1
507.14557	3.1
524.13477	6.1
525.13794	0.6
548.12695	0.9
562.12701	0.6
576.12463	3.0
593.16077	2.1
594.14258	2.1
611.15967	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	611.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03457	3.6
54.54617	1.6
55.01868	2.3
56.05024	5.2
57.54277	1.4
65.03950	3.4
66.74743	1.4
67.05501	6.2
68.99756	8.0
69.03444	2.8
69.23486	9.2
70.02934	3.5
70.06587	76.1
73.04736	2.0
79.05487	3.9
80.01377	3.6
81.03424	2.0
82.02969	1.6
83.04968	2.6
89.71545	1.5
91.05487	7.5
93.03435	4.0
94.06564	2.4
95.04951	13.2
96.08122	2.4
98.23526	2.9
100.07584	1.7
103.05450	32.8
105.03397	6.6
105.07042	3.8
106.06586	1.8
107.04924	4.1
109.02888	4.8
110.02409	2.2
110.06025	29.6
111.03210	3.6
112.07631	2.7
118.79815	1.6
119.04949	2.1
121.02849	2.5
122.06015	3.8
123.04425	7.7
131.04916	82.2
132.05188	1.8
133.02856	2.5
135.04453	3.0
136.97893	1.7
137.02367	2.2
138.01828	12.0
138.05487	3.0
139.02597	2.9
146.06056	1.9
147.04370	3.2
148.07512	1.8
150.01923	1.7
150.05533	2.4
151.03894	6.2
157.35548	1.7
161.02339	4.1
162.05420	3.1
163.03900	9.6
164.07039	2.8
165.01845	3.2
166.01335	15.7
167.02127	43.2
168.02896	20.0
168.06555	4.0
169.01340	4.4
175.03912	7.2
178.01389	3.7
179.03366	14.1
180.02866	1.9
180.04248	6.7
180.06573	4.0
181.01393	2.8
181.04990	2.8
182.00833	1.9
183.02945	2.6
184.02406	3.6
185.03146	16.8
187.03873	2.8
189.01810	2.2
190.01303	2.7
190.04944	8.7
191.03372	16.7
192.06537	12.9
193.04999	4.8
194.00832	40.6
194.04482	1.8
195.02881	4.4
203.03412	6.5
205.04895	1.7
206.00871	4.1
207.02866	82.3
208.03787	3.7
208.05998	19.3
209.02946	3.1
209.04674	3.1
209.06766	3.3
210.07628	6.6
212.01883	66.7
218.04439	12.0
219.02878	6.4
220.06027	12.1
221.04437	49.5
221.06541	3.2
225.03973	5.6
226.04796	6.0
228.06673	3.3
236.05495	42.5
237.03944	10.2
237.06253	5.1
238.07178	2.4
242.08124	2.0
243.07645	2.8
246.00478	2.8
254.06705	3.3
256.05963	3.2
265.08652	2.0
270.07626	9.6
271.06046	4.4
271.08496	19.6
272.01895	4.4
272.06152	3.3
272.09018	12.7
278.11792	7.4
281.08075	1.8
282.04086	2.3
288.01352	2.5
294.11267	5.3
295.09622	9.6
296.12747	20.3
297.99899	2.1
298.07053	47.1
298.10403	3.6
299.06720	11.0
311.06238	2.9
311.09238	27.9
312.01389	5.6
312.09467	3.4
312.12549	4.2
313.08713	2.0
314.13773	8.9
316.00958	2.1
322.10776	14.1
324.12131	7.9
325.10727	5.3
338.02921	5.0
339.05951	9.5
340.05389	8.1
340.11758	100.0
341.07620	9.9
341.12491	8.8
342.13330	65.0
350.03006	3.6
351.01431	2.9
355.07010	1.9
356.07504	2.3
363.18170	2.1
367.05548	23.1
368.04019	2.6
403.12848	5.6
420.07028	12.7
443.12491	2.6
445.13779	7.1
454.08878	2.0
460.10187	4.0
461.13672	2.2
471.11890	15.8
472.10300	4.0
489.12921	29.6
524.13464	13.6
564.16534	4.4
565.19269	7.8
575.18304	14.2
576.16101	2.1
593.19110	53.9
594.19281	2.9
611.20050	55.7
612.20270	2.7
623.97186	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	611.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03457	3.6
54.54617	1.6
55.01868	2.3
56.05024	5.2
57.54277	1.4
65.03950	3.4
66.74743	1.4
67.05501	6.2
68.99756	8.0
69.03444	2.8
69.23486	9.2
70.02934	3.5
70.06587	76.1
73.04736	2.0
79.05487	3.9
80.01377	3.6
81.03424	2.0
82.02969	1.6
83.04968	2.6
89.71545	1.5
91.05487	7.5
93.03435	4.0
94.06564	2.4
95.04951	13.2
96.08122	2.4
98.23526	2.9
100.07584	1.7
103.05450	32.8
105.03397	6.6
105.07042	3.8
106.06586	1.8
107.04924	4.1
109.02888	4.8
110.02409	2.2
110.06025	29.6
111.03210	3.6
112.07631	2.7
118.79815	1.6
119.04949	2.1
121.02849	2.5
122.06015	3.8
123.04425	7.7
131.04916	82.2
132.05188	1.8
133.02856	2.5
135.04453	3.0
136.97893	1.7
137.02367	2.2
138.01828	12.0
138.05487	3.0
139.02597	2.9
146.06056	1.9
147.04370	3.2
148.07512	1.8
150.01923	1.7
150.05533	2.4
151.03894	6.2
157.35548	1.7
161.02339	4.1
162.05420	3.1
163.03900	9.6
164.07039	2.8
165.01845	3.2
166.01335	15.7
167.02127	43.2
168.02896	20.0
168.06555	4.0
169.01340	4.4
175.03912	7.2
178.01389	3.7
179.03366	14.1
180.02866	1.9
180.04248	6.7
180.06573	4.0
181.01393	2.8
181.04990	2.8
182.00833	1.9
183.02945	2.6
184.02406	3.6
185.03146	16.8
187.03873	2.8
189.01810	2.2
190.01303	2.7
190.04944	8.7
191.03372	16.7
192.06537	12.9
193.04999	4.8
194.00832	40.6
194.04482	1.8
195.02881	4.4
203.03412	6.5
205.04895	1.7
206.00871	4.1
207.02866	82.3
208.03787	3.7
208.05998	19.3
209.02946	3.1
209.04674	3.1
209.06766	3.3
210.07628	6.6
212.01883	66.7
218.04439	12.0
219.02878	6.4
220.06027	12.1
221.04437	49.5
221.06541	3.2
225.03973	5.6
226.04796	6.0
228.06673	3.3
236.05495	42.5
237.03944	10.2
237.06253	5.1
238.07178	2.4
242.08124	2.0
243.07645	2.8
246.00478	2.8
254.06705	3.3
256.05963	3.2
265.08652	2.0
270.07626	9.6
271.06046	4.4
271.08496	19.6
272.01895	4.4
272.06152	3.3
272.09018	12.7
278.11792	7.4
281.08075	1.8
282.04086	2.3
288.01352	2.5
294.11267	5.3
295.09622	9.6
296.12747	20.3
297.99899	2.1
298.07053	47.1
298.10403	3.6
299.06720	11.0
311.06238	2.9
311.09238	27.9
312.01389	5.6
312.09467	3.4
312.12549	4.2
313.08713	2.0
314.13773	8.9
316.00958	2.1
322.10776	14.1
324.12131	7.9
325.10727	5.3
338.02921	5.0
339.05951	9.5
340.05389	8.1
340.11758	100.0
341.07620	9.9
341.12491	8.8
342.13330	65.0
350.03006	3.6
351.01431	2.9
355.07010	1.9
356.07504	2.3
363.18170	2.1
367.05548	23.1
368.04019	2.6
403.12848	5.6
420.07028	12.7
443.12491	2.6
445.13779	7.1
454.08878	2.0
460.10187	4.0
461.13672	2.2
471.11890	15.8
472.10300	4.0
489.12921	29.6
524.13464	13.6
564.16534	4.4
565.19269	7.8
575.18304	14.2
576.16101	2.1
593.19110	53.9
594.19281	2.9
611.20050	55.7
612.20270	2.7
623.97186	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	611.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	2.0
54.60205	1.2
55.01862	2.6
56.05029	7.3
65.03928	1.7
67.05511	4.2
68.05033	1.5
68.99778	9.1
69.03388	1.5
70.02946	1.7
70.06587	77.6
71.03282	1.3
71.42894	1.6
77.03930	1.3
78.75662	1.2
79.05489	4.3
80.01387	2.7
81.03423	1.7
82.06594	1.8
83.03711	1.4
83.04951	1.9
91.05447	8.3
93.03375	3.1
94.06544	1.7
95.01334	1.9
95.04957	11.7
96.08138	3.3
98.02435	1.8
98.18631	1.1
99.00763	1.4
103.05460	33.3
103.06103	2.2
105.03381	4.5
105.04513	2.0
105.07060	3.7
106.06567	1.7
107.04949	4.5
109.02886	2.7
110.02414	4.0
110.06033	31.1
111.03169	3.7
111.04492	1.6
112.07592	2.3
118.06559	1.4
118.73637	1.2
119.04911	1.4
121.02836	3.2
122.06023	3.6
123.00867	1.5
123.04456	9.4
131.04916	98.3
133.02872	2.4
135.04381	3.6
138.01843	12.7
138.05515	3.6
139.02687	3.0
139.03790	1.2
140.03432	3.5
145.02820	2.1
146.06006	2.0
147.04457	2.2
150.01942	1.3
150.05510	2.2
151.03920	5.8
152.04668	1.2
152.07068	1.5
155.04880	2.1
157.06470	1.6
161.02307	3.3
162.05507	3.2
163.03882	11.4
164.07063	2.4
165.01845	6.0
166.01337	17.1
167.02121	35.2
168.02908	19.8
168.06561	4.2
169.01265	6.9
169.06750	1.3
171.04431	2.0
172.03894	1.4
174.05550	2.2
175.03914	5.0
176.03470	2.0
178.01360	3.6
179.03398	14.6
180.04178	7.1
180.06531	6.1
181.01318	2.8
181.03671	1.8
183.04454	3.5
184.02460	3.7
185.00838	5.8
185.03226	12.2
190.01367	2.0
190.04953	8.5
191.03378	20.5
192.06583	17.6
193.04973	7.1
194.00832	46.4
194.02596	2.4
194.99274	4.5
195.01254	1.3
195.02829	7.2
196.02470	2.1
199.02299	3.3
199.03972	1.8
201.01875	3.3
203.03395	4.2
203.08475	1.8
206.00755	2.3
206.04770	1.5
207.02867	84.7
208.03970	3.3
208.06009	19.0
209.02919	2.6
209.04539	5.0
209.06705	3.1
210.07599	9.8
212.01884	78.1
213.00325	11.6
213.05545	1.7
217.05008	1.9
218.04483	14.6
219.02904	9.8
220.06026	14.8
221.04422	43.7
221.06482	2.2
225.02113	1.5
225.03615	6.1
225.05740	2.9
226.04779	5.4
228.06554	1.5
236.05519	46.9
237.03983	11.8
237.06313	4.4
238.07106	3.2
239.05531	2.9
242.08205	1.7
243.07657	2.3
244.06018	2.0
246.00385	1.9
248.01918	1.9
249.09216	1.6
254.04410	1.5
254.06715	3.4
256.06097	4.2
264.01541	1.7
265.08676	2.5
268.02731	1.8
269.08163	2.5
270.04736	1.4
270.07599	7.9
271.06122	3.9
271.08606	15.7
272.01974	3.8
272.06186	2.4
272.09171	10.9
273.07401	1.5
276.10281	3.0
278.11673	7.2
279.10132	1.9
284.02139	1.5
289.08527	2.0
292.00922	2.1
294.11319	6.0
295.09650	10.8
296.12811	23.1
298.07074	52.5
299.06519	13.7
304.09720	3.6
307.09680	1.6
310.03418	2.6
311.09155	30.3
312.01495	8.7
312.04761	2.7
312.09512	2.6
312.12439	5.4
312.99911	1.5
314.13776	12.8
316.00894	6.0
322.03531	1.6
322.10672	14.8
324.05008	1.7
324.12262	11.3
325.10794	5.7
328.04498	1.7
330.02487	2.0
335.94205	1.9
338.02924	5.3
339.02176	2.0
339.05936	9.3
340.04697	9.5
340.11768	100.0
341.03571	2.4
341.07736	9.1
341.12616	8.1
342.13327	65.4
345.17041	1.9
350.02960	2.7
350.06705	1.7
351.01285	3.3
356.03937	2.6
367.05612	23.4
368.03946	8.2
369.02713	2.1
385.06903	3.4
403.12750	6.9
416.07590	1.7
420.07062	9.6
425.10986	1.7
442.09122	1.5
443.12503	3.7
444.10947	1.8
445.14038	9.0
446.12192	2.2
460.10440	3.6
461.13565	2.7
471.12027	17.8
472.10376	6.6
479.14670	1.5
489.12881	32.6
490.11954	3.7
524.13281	11.3
547.18976	1.7
564.16644	4.0
565.19946	8.9
575.17950	16.5
576.16907	6.4
593.19098	52.4
594.17828	8.1
611.20184	58.5
612.18665	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	611.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93526	0.6
55.05494	1.2
55.66531	0.6
57.07061	0.6
64.01348	0.6
67.05520	1.3
68.74467	0.7
71.08603	0.6
73.04758	1.5
79.05489	1.7
81.07057	1.2
90.90770	0.8
91.05784	2.4
93.07059	2.5
105.07018	4.5
115.07565	0.9
119.08588	1.1
139.03694	1.8
143.08543	0.8
145.10115	0.9
157.10199	1.6
159.11772	0.8
161.13199	0.8
169.10199	1.0
171.11732	0.8
175.11162	0.6
183.06277	9.0
183.11679	1.2
195.07669	0.7
195.11732	1.0
197.13295	1.0
221.13310	0.9
236.00560	0.7
299.06168	0.8
335.16141	52.1
336.16183	1.4
353.17270	4.6
355.06921	1.2
356.07089	2.4
376.18777	3.3
451.20676	3.3
495.23541	43.0
496.23944	2.4
536.26587	1.4
611.28137	100.0
612.28632	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	611.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39326	0.3
52.71936	0.3
55.05513	0.5
56.60520	0.4
60.88394	0.5
67.05510	0.6
69.07066	0.5
73.02899	0.4
73.04757	0.7
79.05476	1.9
81.07059	0.7
87.04457	1.2
89.06019	2.9
91.05839	1.2
92.05792	0.4
93.07056	0.8
95.04969	1.0
95.08583	0.6
103.05458	1.0
105.03397	1.0
105.07018	14.5
106.03771	0.5
106.07357	2.5
107.08572	0.5
119.08607	1.3
121.06493	0.8
124.04002	0.5
127.01571	0.7
129.07066	0.5
131.08569	0.8
133.08623	0.8
139.01624	0.9
147.08073	0.8
147.11774	0.5
153.03125	0.9
159.11716	0.4
183.11729	0.5
335.16302	0.6
355.06873	0.7
356.07260	0.7
375.92865	0.5
495.23709	0.6
611.35480	100.0
612.35815	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	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01852	0.9
55.05506	10.9
57.03426	3.6
57.07071	1.7
62.12382	0.8
65.03922	1.0
67.05499	23.9
68.83588	0.8
69.07059	9.3
69.85957	1.4
71.04957	1.0
71.08618	1.0
77.84026	0.8
79.05484	18.7
81.07051	28.7
83.04980	0.9
83.08606	5.5
85.06525	1.1
89.02172	0.7
89.06020	1.0
91.05460	16.3
93.07035	19.9
95.04967	3.1
95.08593	20.6
97.10165	2.5
98.23386	1.0
99.08051	1.6
103.05517	1.2
105.07017	23.8
107.08577	11.7
107.09260	1.2
109.06509	1.4
109.10161	8.4
109.49683	0.9
115.05464	1.2
116.06112	0.9
117.06998	8.7
119.08564	16.5
121.10133	10.6
121.37823	0.8
123.08054	1.0
123.11686	3.5
125.09618	1.2
128.06236	1.7
129.06992	4.7
131.08557	14.7
133.10110	13.9
135.11678	9.3
137.13251	1.2
142.07764	1.1
143.08556	7.3
145.10094	12.1
147.11659	11.4
149.13255	5.1
155.08580	3.4
157.10094	6.5
159.11684	12.3
161.13245	8.4
163.14790	1.8
167.08516	1.1
169.10123	4.3
171.11652	7.3
172.12486	0.9
173.13258	7.6
175.14821	4.8
177.16447	1.5
181.10204	1.8
183.11684	3.9
185.13234	7.0
187.14792	4.2
189.16310	2.0
197.13182	3.8
199.13318	0.8
199.14833	4.5
201.16434	2.6
205.15987	1.0
209.13286	1.7
211.14865	2.5
213.16457	3.4
215.18015	2.9
225.16397	1.6
227.18053	1.3
231.17545	1.2
231.20959	1.0
231.39310	0.9
239.17986	2.7
241.19620	7.2
243.21141	2.3
249.18555	0.9
257.19095	2.9
259.20514	16.5
261.22131	3.9
275.20267	1.3
285.22177	1.9
313.25302	1.5
315.23233	2.3
317.24643	1.0
325.25586	1.6
333.24161	11.6
335.25809	19.3
337.27518	2.0
339.26883	1.1
353.28247	1.6
356.06952	1.3
357.27722	1.0
367.30093	1.8
381.31805	1.1
411.32913	0.9
416.93179	0.8
449.34045	0.9
501.35190	1.4
503.36972	1.1
519.42041	6.2
537.43152	4.5
541.39087	2.1
559.29437	1.0
589.81689	0.8
593.45740	9.4
611.46631	100.0
612.47015	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.5
58.99614	4.2
67.05499	20.6
67.33945	4.4
69.07053	13.1
69.18449	24.3
79.05487	13.9
81.07065	24.8
83.08591	7.3
88.83745	4.6
89.32034	3.9
91.05434	10.0
91.19772	4.5
93.07048	17.9
95.04936	5.8
95.08624	17.6
97.10182	6.7
105.07014	31.1
107.08621	14.1
109.10153	10.5
117.07018	7.2
119.08578	15.3
121.10139	5.2
129.06999	7.8
131.08588	15.6
133.10208	4.8
142.07654	4.9
143.08569	14.6
145.10146	12.0
157.10144	9.6
159.11668	7.5
161.13300	6.4
171.11681	9.9
173.13222	7.6
175.14812	5.6
177.85274	4.7
304.30414	4.6
309.06189	5.4
330.40344	4.7
372.04288	4.9
490.64923	4.7
513.35632	7.3
519.42169	10.9
537.43054	6.3
593.45612	7.8
611.46808	100.0
638.10065	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	612.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59930	3.2
52.16042	3.1
56.05032	12.0
65.03954	4.1
67.05485	6.2
68.99796	14.7
69.92313	12.3
70.06592	78.2
73.78802	2.9
79.05481	6.8
91.05489	11.2
93.03398	6.8
95.04961	13.8
96.08102	5.0
98.86045	3.2
103.05482	39.3
105.03354	5.6
105.04522	3.8
105.07027	4.4
107.04962	7.6
110.06062	26.1
119.71449	3.1
121.02852	5.2
123.04395	8.5
131.03964	6.5
131.04927	100.0
151.00285	4.3
151.03876	4.7
162.05397	4.4
163.03915	9.1
165.01820	5.2
166.99846	4.6
168.06567	9.1
169.01320	22.7
175.04022	4.5
179.03410	16.4
180.04251	6.7
180.06555	4.8
181.01201	4.2
183.04434	9.3
185.00844	10.0
189.01865	5.2
190.05032	12.0
191.03423	18.6
192.06573	19.8
193.04951	6.4
194.97574	5.8
194.99240	49.5
195.02875	4.6
201.01898	4.9
207.02890	70.7
208.03506	5.4
208.06067	15.1
210.07578	10.1
213.00293	81.2
213.02245	5.4
217.04945	6.2
218.04555	16.7
219.02898	11.1
221.04480	24.8
225.03915	4.5
226.04898	4.6
228.06580	4.7
230.54544	3.6
236.05522	41.5
237.03972	6.3
245.04492	4.1
246.98761	5.6
249.00163	3.8
253.05180	4.5
257.04617	3.7
271.06024	13.5
273.07547	7.9
276.10236	4.7
278.11835	7.0
288.99774	4.6
294.11273	5.7
296.12799	28.7
299.05475	54.2
300.05118	18.1
305.07932	7.1
311.09134	25.6
312.09628	5.9
312.99698	9.9
314.13870	14.5
316.99313	5.5
322.10794	23.2
339.01242	12.4
340.04565	6.6
340.11746	60.9
341.02765	7.2
341.12476	6.8
342.06235	6.6
342.13333	40.0
351.01328	4.5
368.03885	18.2
369.02444	11.9
404.11441	5.2
417.06183	6.9
421.05441	11.3
443.07559	4.1
446.12433	5.9
472.10416	22.1
490.11310	29.3
525.12018	8.9
547.12933	6.9
566.18207	6.9
576.16602	18.0
577.15692	4.4
589.47998	3.6
594.17535	54.2
612.18610	92.3
613.19000	5.9
617.53412	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	612.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	1.4
55.01862	1.9
56.05027	12.6
65.03931	4.3
67.01867	1.3
67.05498	5.7
68.05038	2.0
68.99781	15.1
70.02543	3.1
70.06586	75.5
79.05498	5.4
81.03402	2.9
82.06573	2.3
83.01340	3.2
83.04974	1.5
90.47462	1.1
91.05472	11.1
92.40898	1.3
93.03404	5.3
94.06581	4.1
95.04957	13.5
96.08124	4.5
99.00809	1.3
103.05463	34.6
104.52825	1.2
105.03381	7.6
105.04520	1.4
105.07031	7.0
107.04944	3.6
108.99237	3.0
109.02872	3.4
110.06033	21.9
111.04446	1.9
112.07605	2.8
115.05461	2.6
119.04958	1.9
121.02845	3.9
121.06446	1.5
122.06044	3.8
123.00800	3.8
123.04435	9.1
129.07024	1.9
131.04916	93.8
132.05278	2.2
133.02881	3.0
134.05980	1.5
135.04428	1.5
136.07512	1.8
137.02310	2.1
138.05493	2.6
139.00262	2.5
141.01831	1.6
143.04955	1.3
145.02841	1.6
146.06032	1.3
147.04416	1.8
148.07558	1.8
150.05548	2.9
151.00284	2.3
151.03911	4.2
154.09769	1.1
157.06403	1.5
161.02356	3.8
162.03186	1.5
162.05493	4.3
163.03867	9.4
164.07112	3.2
165.01845	4.2
165.05623	1.5
166.99797	4.4
168.06628	5.2
169.01312	17.1
171.04343	1.8
172.03967	1.9
173.02391	2.7
173.05968	1.3
174.05522	2.0
175.03925	4.9
176.07082	1.5
177.05415	1.3
179.03377	14.4
180.04124	6.9
180.06602	5.2
181.01329	4.6
181.05006	8.3
183.02980	2.6
183.04477	3.8
185.00818	11.5
185.06056	1.9
189.01912	2.1
190.04985	9.9
191.03371	15.2
191.04916	1.5
192.06543	18.5
193.01347	1.9
193.04970	5.2
194.99226	36.3
195.02840	6.0
199.02255	1.8
199.03955	1.8
200.03401	1.5
201.01860	4.2
203.03444	3.1
205.04967	1.5
207.02870	66.9
208.03690	4.3
208.06090	17.2
209.02887	1.7
209.04637	2.9
209.06743	2.1
210.07597	8.7
211.04062	2.7
211.06049	1.4
213.00282	85.2
213.05611	2.4
216.06648	1.4
217.04979	6.6
218.04460	12.9
219.02846	10.1
220.06113	1.5
221.00977	1.9
221.04427	18.1
225.00383	1.9
225.03719	6.1
226.04756	5.5
227.03392	3.3
228.08870	1.5
229.05016	2.0
236.05519	35.3
237.03983	8.3
237.06279	3.5
245.04547	2.6
246.98798	1.9
248.10666	2.3
249.00319	1.6
253.05032	5.1
254.06705	3.9
255.02847	3.0
256.06091	1.5
257.00873	1.3
257.04529	4.6
261.00415	2.1
269.04456	1.3
269.08020	2.4
271.05975	69.2
272.05527	1.9
273.07486	7.0
276.10184	1.6
278.11865	6.1
279.10156	2.7
283.02432	2.8
285.07602	1.5
288.99808	3.4
289.03339	2.7
293.08017	3.4
294.11264	4.2
295.09546	3.0
296.12762	22.7
299.05463	45.4
300.05099	11.6
301.03366	1.4
304.09787	1.7
305.08130	4.8
311.09064	23.3
312.05240	1.9
312.09790	7.1
312.12820	2.6
312.99756	10.1
313.03021	2.2
314.13809	17.3
316.99310	4.6
322.10767	15.1
323.01892	2.6
325.10846	3.5
329.02942	1.6
339.01361	9.5
340.05310	7.0
340.11743	55.7
341.02844	8.8
341.12088	6.9
342.06534	8.5
342.13315	33.0
351.01257	6.2
357.02441	4.8
359.04135	1.5
368.03912	20.2
369.02316	9.4
386.05157	3.4
404.11365	4.7
417.05978	6.1
421.05423	8.5
443.07559	6.3
444.11008	2.6
445.09848	1.8
446.12280	7.2
455.07718	2.4
461.08783	4.4
462.11813	2.2
472.10284	17.3
473.08447	6.5
479.09854	1.5
490.11261	22.8
521.12274	3.6
525.11627	6.5
547.13800	3.0
550.18872	1.5
559.13824	1.8
566.18097	5.7
576.16522	20.7
577.15210	2.5
594.17584	46.4
595.17700	2.2
612.18604	100.0
613.18970	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	612.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00391	0.9
64.15872	1.0
65.03930	1.2
67.05502	1.9
70.06605	1.2
71.43141	1.3
73.04758	1.8
78.66772	0.9
79.05488	3.0
81.03439	0.9
81.07059	1.4
83.33514	0.8
85.02889	2.3
87.07522	1.1
89.03922	1.5
91.05849	2.3
93.07038	2.4
94.06575	8.0
95.04967	1.3
95.08604	1.6
96.08118	2.0
98.05987	1.3
98.92290	1.2
103.05461	1.8
103.78030	0.9
106.06570	1.2
108.04475	12.9
108.08111	7.4
116.04977	8.4
118.06499	1.3
120.04468	3.7
120.08102	11.7
121.02837	1.4
122.06025	19.6
124.07578	10.1
134.06087	1.2
136.07564	14.5
144.04434	11.8
146.05978	13.2
148.07552	27.2
150.05537	1.8
152.07068	2.7
158.05984	2.2
160.03937	2.7
162.05539	2.5
164.07079	1.4
166.08572	2.0
168.06573	10.9
170.06097	1.1
172.03911	36.3
173.04674	1.3
174.05495	8.5
182.09634	1.2
186.05493	4.4
190.04971	47.7
191.05537	2.3
191.07236	1.3
192.06558	1.6
196.07510	1.1
198.11568	1.2
204.06544	32.6
206.08012	8.0
206.09839	1.6
207.09146	3.1
208.09900	4.0
211.12305	2.5
221.10765	3.3
222.11456	5.7
223.08652	1.2
223.12332	8.5
225.10165	2.6
226.11192	1.3
232.06116	2.1
232.92526	1.2
233.10823	1.8
234.09184	2.2
235.08658	1.3
236.09409	12.9
238.10959	1.3
241.09668	1.2
249.10251	3.1
250.11006	9.9
251.11728	16.4
252.08638	6.7
262.08453	1.3
263.08093	2.9
264.08932	8.0
265.09772	1.5
278.10477	9.3
279.11255	41.1
280.11655	1.7
281.12921	1.4
287.10150	2.3
295.10522	2.6
297.12244	7.2
299.06085	1.4
299.10266	4.2
303.05084	4.5
306.10007	1.3
307.10730	58.7
308.11111	2.2
311.13489	1.2
311.16562	1.1
313.11722	3.4
323.10275	8.3
324.11090	1.3
325.11792	21.0
329.11176	3.6
339.13333	4.2
341.11301	9.1
343.12592	2.9
355.06979	1.4
357.06882	1.9
359.12396	2.4
367.12839	5.2
373.13821	4.2
383.12299	4.0
384.13654	1.0
386.52478	1.0
393.10709	2.7
411.11816	100.0
412.11938	4.9
429.12909	12.5
443.14191	1.5
448.18539	3.3
476.18115	25.1
493.16687	1.4
494.19241	8.6
508.20859	1.5
518.18762	1.2
526.22266	1.1
536.20203	2.8
538.17841	1.7
550.21661	3.2
562.18030	4.2
580.19202	56.9
581.19513	4.3
594.20422	3.3
598.20239	2.2
611.31793	3.1
612.23669	1.9
612.32526	7.9
613.22729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.8
69.03440	3.2
73.02911	35.4
73.04765	2.2
79.05493	6.9
81.03424	3.1
83.31789	1.6
85.02901	4.5
87.00813	2.1
87.04485	1.9
89.03902	3.4
91.05433	2.2
93.07039	5.0
94.06586	11.8
95.04972	2.3
97.02901	3.2
103.05448	2.1
105.54877	2.1
108.04475	5.1
108.08089	8.4
116.04977	13.9
119.08608	4.7
120.04519	4.2
120.08102	20.4
122.06025	24.1
122.09659	3.0
123.19955	2.0
124.07604	13.8
127.01526	5.5
127.03947	2.6
132.04367	2.4
134.05978	2.8
136.07585	25.3
138.09138	3.0
144.04420	16.4
146.05998	17.2
148.07562	58.1
152.07135	4.2
153.03101	7.0
160.03967	4.0
162.05510	3.6
164.07076	2.4
165.09102	2.3
166.08688	5.6
166.34488	1.6
168.06612	6.5
172.03928	48.1
172.05325	3.8
173.04704	2.2
174.05476	8.5
176.06996	2.4
182.08029	2.4
186.05486	7.7
190.04974	64.9
191.07135	3.7
193.04916	4.3
197.05669	4.9
204.06541	43.7
206.08047	3.4
206.09778	3.1
207.09096	5.4
208.09874	6.4
211.12343	2.3
221.10674	4.3
222.11540	8.2
223.12311	11.3
225.10243	4.4
226.10925	2.5
227.11787	6.1
234.09044	3.3
235.08675	2.3
236.09415	13.9
238.11038	2.6
239.11708	3.5
249.10297	2.8
250.11028	15.4
251.11781	20.4
252.08714	24.8
252.11279	2.9
253.09535	4.3
255.11238	4.2
263.08047	3.0
264.08878	10.6
267.11179	3.9
269.15262	4.5
278.10596	9.5
279.08194	2.8
279.11252	50.8
280.11426	2.7
281.09171	7.7
283.10544	2.2
283.17010	2.0
287.10254	6.1
293.15405	2.0
295.10712	6.0
297.12210	6.3
299.10120	9.8
303.05035	5.0
307.10754	54.8
311.10425	2.6
311.16354	3.7
313.11810	5.8
315.93817	2.1
323.10217	13.5
324.10907	2.0
325.11798	21.4
329.11328	12.3
329.17538	13.1
339.13229	7.3
341.11313	15.0
367.12717	3.6
373.14151	2.5
383.12289	3.5
393.10800	2.3
411.11819	87.5
412.12253	3.8
429.12973	9.0
448.18738	8.4
458.16888	2.7
476.18149	100.0
477.18564	3.9
489.18008	2.2
494.19266	13.3
536.20190	4.1
538.17993	5.6
550.21613	6.4
562.17920	9.5
568.21887	2.3
580.19220	61.8
581.18988	2.6
594.20459	4.2
612.20313	5.6
612.33984	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	612.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18489	1.1
53.03960	1.3
55.01879	3.6
55.05517	2.9
57.03439	14.1
61.02924	5.8
63.77382	1.1
69.03430	28.9
70.08986	2.7
70.09319	1.9
71.01359	4.4
71.04991	39.8
73.02916	46.5
75.04473	7.0
80.14014	1.3
81.03424	2.6
83.04983	22.2
85.02904	100.0
87.04478	3.4
91.05476	2.9
94.40660	1.2
95.04969	2.0
97.02892	25.6
98.23356	1.7
99.04436	1.8
103.03953	4.4
105.07050	2.2
107.04979	1.2
109.02878	1.8
111.04436	16.5
115.03928	26.8
119.04911	1.7
127.03909	5.8
129.05479	37.3
133.04958	13.0
137.05978	19.2
139.03920	6.6
145.04964	3.0
146.20892	1.3
147.06525	29.2
151.03868	1.6
151.07558	3.9
151.10350	1.4
153.05527	1.4
155.07040	3.8
157.04903	1.5
161.05957	1.6
163.06064	2.6
165.05501	3.5
165.07596	3.7
167.07094	1.7
169.05005	4.6
171.06529	2.9
175.07578	1.6
179.05637	1.6
179.06992	8.8
187.06032	1.7
191.07088	1.7
195.06517	2.8
197.08167	2.8
203.07069	2.0
221.08109	3.3
225.07550	14.8
233.08162	2.2
239.15915	1.4
243.08698	12.1
247.09682	5.3
251.09248	3.4
255.08704	1.8
259.08179	1.5
261.09698	6.5
263.09131	2.9
265.10590	2.6
273.09744	3.4
279.10751	15.5
281.09955	1.7
307.84930	1.2
309.11829	4.8
317.12445	2.0
319.19171	1.2
335.27881	1.2
448.57584	1.2
548.87158	1.4
556.52448	1.6
616.78815	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	612.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01877	2.4
55.05512	3.1
57.03434	3.0
61.02919	3.4
64.13287	1.0
67.05501	3.0
68.99785	4.3
69.03423	22.3
69.07066	2.3
69.12702	6.5
70.06548	1.1
71.05009	2.3
73.02914	3.8
73.04754	1.7
74.18166	1.0
78.32395	1.0
79.05481	5.1
81.03413	17.6
81.07054	3.8
83.05006	1.4
83.47616	1.1
84.85418	1.1
85.02901	45.6
87.00824	17.5
88.57388	1.1
90.96938	1.2
91.05492	6.3
93.07037	3.6
95.04958	1.9
95.08608	2.6
97.02885	14.9
99.04439	5.9
105.01854	15.3
105.07034	7.4
105.07691	1.7
107.08580	3.0
109.02878	19.2
109.06530	1.5
109.10171	1.3
117.01831	1.5
117.07008	2.3
119.04919	1.9
119.08568	36.9
121.06521	3.1
121.10143	15.6
123.04371	1.1
123.08084	1.9
127.03905	26.9
128.06165	1.3
129.01805	1.2
129.06989	1.4
131.04956	1.2
131.08588	3.2
133.06487	1.8
133.10124	1.5
135.11661	1.1
137.05980	4.5
141.06946	1.5
142.07732	1.5
143.08575	1.4
145.04906	5.5
145.06499	2.6
147.04382	2.2
147.08041	3.4
151.07669	1.1
153.20526	1.0
155.08601	1.4
157.06374	1.1
157.10078	2.4
158.07242	1.3
159.02856	5.3
159.08070	3.8
161.06012	2.7
161.09598	2.8
163.07529	2.9
165.01886	3.0
165.05479	1.2
165.09097	33.0
169.10083	1.6
171.08066	3.8
173.06012	1.5
173.09583	1.7
173.98039	1.2
174.06731	1.4
175.03922	16.4
175.07541	1.8
175.11203	1.8
177.09090	16.9
179.07028	1.3
179.08534	1.4
180.09384	1.5
181.10118	1.5
183.02899	1.7
183.07938	1.9
185.09608	2.8
185.13406	1.2
186.06757	1.4
187.07550	3.3
187.11150	2.2
189.03954	1.4
189.05559	1.6
191.07010	32.5
191.08679	1.9
191.10696	2.4
193.04953	45.3
193.10065	1.7
193.12245	1.4
195.08072	1.3
197.09599	3.9
199.07484	7.3
199.11208	4.4
201.05475	1.4
201.09093	7.1
203.07004	2.7
203.10686	1.4
209.07973	1.6
209.09709	2.6
210.10367	1.4
211.11314	2.2
211.13316	3.3
212.11787	1.5
213.03972	2.7
213.09015	5.9
213.12715	1.2
215.07010	5.3
215.10657	7.8
217.08604	4.3
223.11275	5.0
223.96581	1.2
225.09132	2.9
225.76208	1.2
227.07080	2.9
227.10596	7.2
227.14250	1.4
228.07832	1.7
228.11418	3.0
229.08568	2.5
229.12230	4.5
231.04924	8.4
231.10069	1.9
233.08025	2.3
235.11404	1.7
236.11916	4.0
237.12701	1.2
239.10667	1.8
240.11270	1.8
241.08548	4.3
241.12190	9.7
241.15855	2.6
243.10214	8.1
250.13507	1.6
251.10634	1.4
251.14247	5.9
253.12155	3.3
254.13008	2.1
255.09999	1.5
255.13783	2.9
255.17461	4.6
259.09534	5.6
265.15872	2.6
267.13751	2.5
268.14517	3.1
269.11963	4.1
269.15323	62.0
270.15646	2.1
273.11258	1.3
278.12817	1.4
280.34448	1.1
283.13715	1.2
283.16888	27.6
285.14862	2.0
287.13107	1.9
287.16428	7.2
293.15329	6.3
296.13950	1.5
301.14621	2.1
301.17960	4.9
311.16388	45.8
329.17432	100.0
330.17780	3.2
347.18369	4.2
355.07013	1.3
357.06729	1.6
493.17212	1.9
568.22443	3.3
577.22668	6.4
612.21191	3.9
613.22461	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	612.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.2
69.03416	2.2
70.53934	1.4
71.86471	0.6
73.04742	1.3
74.36426	0.6
79.57256	0.6
81.03422	3.8
85.02901	2.2
89.03865	0.6
91.05453	13.1
97.02937	0.7
109.02876	1.4
118.04173	0.7
119.04939	22.0
127.03912	0.9
133.66603	0.6
139.85136	0.7
145.02821	1.0
147.04401	21.1
153.01772	0.8
157.03989	3.0
163.03865	0.8
167.07028	2.4
175.03897	43.3
176.04419	0.7
179.06953	1.6
181.04938	3.3
184.20366	0.8
192.04204	0.9
207.06514	100.0
208.06836	2.9
271.06018	13.6
287.05661	0.7
294.56000	0.7
311.16208	1.2
329.17456	2.1
351.10492	5.3
357.06882	0.9
369.11783	14.0
436.13260	1.1
580.18420	1.1
612.23706	0.8
613.22461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43413	0.1
53.03940	0.4
62.06413	0.1
67.05499	0.7
68.05019	0.1
69.35428	0.3
69.35835	0.5
70.06567	0.2
71.04957	0.2
73.04741	0.3
78.03458	0.5
79.05480	0.3
80.05016	4.2
81.07045	0.6
83.04977	0.2
88.07609	0.1
91.05388	0.3
91.05872	0.2
93.07027	0.5
95.04967	0.3
96.04485	3.9
96.05087	0.3
97.02866	0.3
105.07015	0.6
106.02910	0.4
107.08591	0.2
111.04446	0.2
111.08071	0.1
113.06104	0.1
119.08586	1.1
121.10175	0.3
124.03947	100.0
125.04295	1.2
131.08549	0.3
133.10124	0.2
140.22202	0.1
141.05486	0.3
143.08511	0.2
145.10129	0.4
155.07039	0.5
157.10117	0.4
159.11668	0.4
166.20560	0.2
169.10100	0.2
170.10767	0.1
171.11720	0.3
173.13287	0.4
183.11688	0.3
185.13261	0.1
191.07016	0.5
195.11740	0.2
197.13255	0.6
209.13245	0.2
211.14764	0.3
220.12479	0.3
221.13280	0.2
221.68633	0.1
223.14546	0.2
225.16316	0.2
235.14825	0.9
239.09383	0.1
246.22662	0.1
249.16396	0.2
253.15771	0.2
256.26306	0.3
288.77423	0.1
295.16843	0.3
299.05960	0.2
313.17975	1.6
351.51529	0.2
356.06940	0.1
357.06671	0.3
383.11230	0.2
385.59167	0.2
392.50186	0.1
529.32648	0.2
570.26776	0.3
612.34930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03941	0.5
55.05507	0.7
67.05505	1.0
69.07068	0.5
70.56255	0.6
71.04999	0.3
73.04728	0.3
78.03452	4.0
79.05482	1.1
80.05017	4.8
81.03413	1.0
81.07077	1.3
81.07460	0.2
89.06033	0.6
91.05420	0.7
91.05889	0.5
93.07055	1.2
95.04963	0.7
95.08601	1.0
96.04489	4.3
96.66702	0.3
97.06502	0.2
105.07019	3.0
106.02914	8.6
107.08604	1.3
107.84465	0.3
109.10107	0.5
111.04439	0.6
117.07011	0.6
117.41946	0.3
119.08574	2.4
120.00701	0.2
121.06557	0.3
121.10165	1.0
123.08115	0.3
124.03948	100.0
125.04326	1.3
127.01626	0.3
127.03879	0.7
128.06248	0.4
129.07004	0.6
131.08562	1.2
133.06509	0.4
133.10118	1.6
135.08022	0.4
140.03415	0.4
142.07732	0.5
143.08606	0.7
145.10136	2.4
147.08083	0.6
147.11723	1.3
149.46693	0.3
151.97902	0.3
152.19987	0.3
155.08527	0.5
156.09354	0.6
157.10112	1.5
158.10901	0.4
159.11705	1.4
161.09587	0.3
161.13242	0.5
163.07631	0.3
165.06931	0.3
169.10150	0.8
169.71300	0.3
170.10898	0.3
171.11668	1.1
172.12389	0.6
173.09592	0.4
173.13364	1.3
175.11267	0.4
181.10060	0.3
183.11685	0.9
185.09613	0.3
185.13220	0.5
187.11230	0.6
187.14827	2.5
188.11949	0.3
195.11723	0.6
197.09460	0.4
197.13266	1.0
198.14053	0.6
199.14790	0.4
201.12814	0.4
203.14290	1.1
207.11644	0.4
209.13206	0.7
211.14827	0.5
215.14296	0.9
225.12695	0.3
225.16325	0.4
234.14015	0.4
235.14793	0.3
239.17776	0.3
239.72682	0.3
249.16403	0.5
251.18008	0.3
267.17447	0.8
271.17010	0.7
277.15802	0.6
285.18460	0.8
295.16959	2.3
312.31699	0.3
313.18042	3.4
357.06628	0.3
436.20566	0.3
529.32404	0.6
552.25903	3.7
589.33893	0.3
612.27899	10.9
613.28436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03946	0.6
55.05517	0.7
57.03421	0.6
63.16486	0.4
67.05500	2.0
69.03429	0.5
69.07063	1.3
71.04983	0.6
73.02927	0.7
75.23594	0.3
78.03452	4.8
79.05489	2.7
80.05022	4.9
81.03421	2.0
81.07061	3.0
83.04967	0.5
83.08613	0.6
85.02892	0.5
87.04460	0.9
89.06025	2.4
91.05396	2.5
93.07051	3.0
95.04955	1.7
95.08596	2.4
96.04492	4.5
97.02890	0.7
97.06528	1.0
103.05492	0.9
105.07038	7.8
106.02917	12.2
106.07360	0.5
107.08591	2.5
109.06546	1.2
109.10178	0.7
111.04446	0.8
115.05428	0.8
117.06983	0.9
119.08578	4.6
121.06495	1.0
121.10146	2.1
123.08108	0.6
124.03950	100.0
125.01524	0.4
125.04272	1.3
127.01564	0.5
127.03926	1.1
128.06241	0.8
129.06995	1.2
130.07727	0.4
131.08572	2.6
132.10187	0.6
133.06525	0.4
133.08559	1.1
133.10153	3.1
134.07268	0.4
135.08063	0.9
139.01535	0.5
142.07773	0.4
143.08556	2.2
145.10126	4.2
147.08058	1.0
147.11678	1.4
149.09579	0.7
149.13248	0.7
155.08585	1.2
156.09346	1.1
157.10072	2.6
159.11716	2.2
161.09592	1.1
161.13260	0.6
163.11211	0.4
167.08609	0.6
168.09311	0.6
169.10115	1.7
170.10915	0.8
170.43184	0.4
171.11719	1.7
172.12453	0.6
173.09608	1.2
173.13280	1.4
175.11160	0.7
175.14865	0.7
179.08626	0.5
181.10072	1.2
182.10799	0.7
183.11693	2.5
185.09644	1.0
185.11728	0.4
185.13268	1.6
187.11226	1.1
187.14799	3.6
189.12672	0.5
189.16447	0.6
193.10172	1.0
195.11716	1.3
196.12436	0.5
197.13223	2.2
198.13983	1.2
199.14789	0.7
201.08946	0.5
203.10660	0.5
203.14313	1.5
205.15816	0.5
206.10860	0.4
207.11717	0.9
209.13203	1.1
211.11316	0.6
211.14827	1.2
215.10686	0.6
215.14265	2.1
216.14928	0.5
219.11856	0.5
220.12358	0.5
221.13417	0.4
223.14803	0.6
225.12766	0.7
225.16336	1.3
231.10147	0.8
235.14825	1.0
239.17894	0.4
241.11934	0.5
249.16344	1.3
253.12202	0.6
253.15906	0.9
267.17468	1.1
271.17035	0.9
277.15848	0.8
285.18414	0.8
295.16956	5.7
313.17984	8.1
331.18939	0.5
355.07150	0.6
357.06735	1.1
392.69006	0.4
407.54276	0.4
436.21271	2.6
454.22314	0.6
496.23318	0.6
552.25854	1.7
612.27960	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	612.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
53.99966	0.9
56.05035	4.4
58.06607	6.5
59.07783	0.8
65.03946	2.1
65.21694	0.9
67.05502	2.5
68.99794	4.8
69.03410	1.2
69.70060	1.9
70.06592	21.7
72.04510	5.1
72.08157	3.6
73.04774	0.9
79.05499	1.7
80.05005	2.1
81.03442	1.5
82.06591	1.0
83.01334	1.0
83.04996	0.9
84.08141	15.4
85.02886	1.0
86.09709	3.7
91.05489	3.4
93.03407	2.0
94.06568	3.0
95.04974	4.4
96.08110	6.0
98.09711	1.5
98.23522	1.1
100.07614	62.4
103.05460	12.7
105.03374	1.1
105.07066	1.9
107.04947	1.4
107.08584	1.2
108.08218	0.8
109.02874	2.0
110.06039	8.1
110.09685	11.0
111.04488	1.1
112.11242	60.3
115.05451	0.9
119.04943	1.5
120.04466	3.5
120.08117	1.0
121.02847	0.9
122.06023	7.6
122.09663	1.0
123.04439	2.7
124.07619	4.8
124.11221	1.5
127.03942	0.8
127.08686	1.2
127.12353	2.6
129.13875	100.0
130.14288	1.9
131.04922	31.6
131.15430	1.3
132.05319	1.1
134.09634	1.5
137.02434	1.0
138.09172	1.3
139.08658	7.0
140.09494	2.4
140.10722	5.8
142.12265	4.3
148.11252	1.1
150.12779	1.3
151.00308	1.3
151.03917	11.1
151.05045	1.6
152.10632	4.3
153.13828	1.1
154.12222	1.4
155.11833	2.3
161.02460	1.1
162.09084	1.0
163.03928	2.3
164.10747	1.4
165.01817	2.0
165.10291	1.6
166.99809	1.4
168.00563	2.2
168.06555	1.6
169.01326	6.2
169.13329	2.0
171.14915	10.7
175.03851	2.2
176.10730	1.2
177.10258	4.4
179.03395	5.7
179.11784	5.1
180.04181	2.4
180.06541	1.2
180.10143	4.6
181.01308	1.6
181.13330	1.6
182.11867	1.6
182.14186	1.1
183.02902	2.5
183.04410	1.7
185.00870	3.2
186.01613	1.0
190.04994	2.3
191.03340	4.4
192.06548	5.6
193.05003	2.0
194.15459	1.1
194.99252	8.2
195.02855	2.4
197.12892	1.0
199.02277	1.3
207.02884	23.9
208.03644	1.6
208.06087	5.2
208.18085	55.4
209.04582	1.4
209.18466	1.5
210.07652	2.8
211.04001	1.2
213.00282	25.4
216.06534	1.0
217.05000	2.4
218.04514	3.1
219.02885	2.3
221.04413	10.0
221.16504	3.0
225.03822	1.5
225.05853	0.9
226.04733	2.4
232.18069	1.1
233.16571	2.1
236.05519	11.2
237.03909	2.1
237.16019	1.3
244.06038	1.3
250.19151	50.2
251.19849	11.5
252.20673	13.0
257.04504	1.2
271.05933	4.1
273.07581	1.8
278.11826	1.5
284.09045	0.9
286.04553	4.8
288.99869	1.2
291.23233	0.9
294.11331	1.0
296.12711	6.6
299.05447	11.0
300.05206	1.8
301.03671	1.3
301.07083	19.6
308.23306	11.6
309.24097	4.1
311.09164	7.4
312.09586	1.5
312.99841	2.6
314.13910	3.5
316.99283	2.1
322.10767	3.8
323.09259	1.0
329.17416	1.2
339.01413	1.7
340.04666	2.4
340.11804	15.5
341.02863	2.1
341.12302	3.8
342.06146	2.6
342.13351	13.8
343.13962	1.3
351.01184	1.2
357.02371	1.3
368.03882	5.0
369.02478	1.8
375.17725	1.0
386.04993	1.1
417.06137	1.5
418.23251	1.0
443.07867	1.6
446.12122	2.1
472.10233	4.6
473.09171	1.6
490.11200	5.9
525.11725	1.4
563.86450	0.9
566.17993	1.8
576.16357	5.2
577.16101	1.7
594.17474	11.9
595.16602	1.3
595.24707	1.2
612.18744	22.9
612.29211	2.7
613.18921	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	612.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.05501	3.4
55.77648	2.2
62.04599	2.1
65.43899	2.0
66.30898	2.1
67.05506	8.4
69.07052	2.8
73.06533	4.3
78.83144	1.9
79.05483	7.2
81.07049	6.4
83.08608	3.2
87.04451	2.7
89.06039	7.0
91.05492	8.8
93.07039	13.2
95.04972	12.5
95.08591	11.6
98.23512	4.0
103.05439	2.9
105.03379	100.0
105.07024	38.0
106.07284	2.6
107.08580	12.3
109.06513	2.6
109.10094	2.9
115.07561	52.7
119.08556	18.6
121.06490	2.7
121.10132	4.3
128.06245	2.5
129.07007	2.9
131.08543	7.7
133.08574	5.9
133.10112	8.2
135.08038	4.6
141.06967	3.4
142.07808	4.6
143.06998	19.1
143.08510	8.6
145.10126	7.9
147.11688	19.4
149.09555	3.2
155.08510	5.2
156.09331	3.0
157.10132	12.6
158.10909	6.3
159.11678	6.5
161.09627	3.9
161.13287	4.3
167.08597	3.0
169.10115	8.4
171.11684	7.9
172.12447	6.7
173.13234	4.2
174.82857	2.2
175.11098	4.0
176.11885	5.2
177.11230	2.3
181.10147	2.5
183.11711	7.0
185.09459	2.6
185.13289	5.8
187.11092	2.5
189.09152	2.5
195.11575	3.9
197.09610	3.1
197.13200	4.7
197.96271	2.3
203.14297	7.5
207.11722	4.5
209.13258	7.0
215.10690	2.7
220.12663	2.5
221.13170	3.9
225.16345	5.6
229.31232	2.3
235.14778	3.5
239.10811	2.4
249.16403	6.2
251.17926	2.7
253.12199	3.2
253.15741	4.6
260.13419	2.9
267.13754	7.6
267.17542	4.0
271.16989	13.6
295.16895	47.4
313.17896	37.0
417.20816	3.2
435.21518	4.7
595.29449	2.9
611.35968	2.9
612.27240	2.9
612.35864	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	612.3165
Annotation	Dihydroergocristine
Peak:m/z	Relative Intensity
53.03933	0.2
55.05499	0.1
56.96551	0.2
67.05492	0.7
69.03405	0.2
69.07047	0.3
69.22881	0.4
69.23280	0.2
71.04975	0.4
78.03442	0.9
79.04220	0.1
79.05482	0.2
80.05008	5.4
81.07051	0.7
83.04965	0.2
89.05995	0.3
91.05412	0.7
91.17314	0.1
93.07016	0.5
95.04945	0.3
95.08580	0.3
96.04485	3.8
97.02869	0.4
97.06503	0.2
98.97573	0.6
105.07020	0.7
106.02899	0.7
107.08559	0.3
109.06485	0.1
109.10117	0.1
111.04451	0.2
111.08083	0.2
116.98591	0.3
117.06996	0.4
119.08563	3.3
121.06509	0.1
121.10137	0.2
121.84795	0.1
124.03938	100.0
125.04272	1.2
128.06142	0.1
129.07085	0.1
131.08546	0.5
133.08615	0.2
133.10129	0.3
135.07997	0.1
137.05928	0.1
140.03348	0.2
142.07774	0.2
143.08534	0.4
145.10075	0.4
155.07027	1.0
155.08405	0.2
156.09334	0.2
157.10112	0.8
159.08026	0.2
159.11679	1.2
167.08545	0.2
169.10138	0.7
170.10939	0.6
171.11688	0.8
173.09685	0.1
173.13266	0.4
177.00531	0.1
179.08537	0.2
181.10089	0.2
182.10876	0.2
183.11681	0.5
184.12425	0.6
185.13222	0.5
193.10135	0.4
194.10883	0.2
195.11636	0.3
197.13208	1.4
199.14806	0.1
201.12761	0.4
205.10088	0.2
206.10774	0.1
207.11676	0.3
209.13272	0.4
211.14824	0.5
220.12477	0.9
221.13268	0.2
223.14841	0.1
225.16513	0.3
234.14104	0.2
235.14787	1.3
249.16458	0.3
253.15912	0.3
267.17468	0.1
271.16943	0.3
277.15790	0.1
280.14587	0.2
293.05380	0.1
295.16974	0.5
313.17944	1.2
315.34592	0.1
317.17941	0.2
355.06918	0.1
486.58090	0.1
511.30719	0.2
524.26190	0.6
529.31860	0.4
542.27490	0.5
571.32996	0.2
589.34131	0.6
612.31573	27.2
613.31842	1.4
621.62549	0.1
643.26202	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	612.3165
Annotation	Dihydroergocristine
Peak:m/z	Relative Intensity
50.73462	0.1
53.03948	0.1
65.03934	0.5
67.05486	0.3
69.03427	0.2
69.54871	0.5
73.02928	0.1
78.03445	0.2
87.04440	0.1
89.06025	0.3
89.56891	0.1
91.05405	0.2
92.05000	1.5
93.05779	0.3
93.07068	0.1
94.06559	4.6
96.04499	0.9
105.07019	0.2
110.06026	3.3
110.06731	0.2
119.04939	0.2
121.02885	0.4
121.06469	0.1
133.68175	0.1
138.05490	100.0
139.05815	1.3
147.04424	0.7
154.04958	0.2
174.67989	0.1
182.09328	0.1
188.62827	0.1
233.49214	0.1
247.06142	0.2
254.81442	0.1
255.06581	0.2
257.06250	0.1
267.06570	0.2
283.06119	0.1
295.06018	0.7
339.87994	0.1
356.07867	0.1
422.56021	0.2
612.31604	25.8
613.31757	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.05503	13.2
56.68859	1.3
57.03429	1.4
65.03918	1.5
67.05499	22.6
69.07052	7.7
77.03905	1.4
77.66317	1.1
79.05042	1.7
79.05486	24.8
81.03425	8.8
81.07051	40.7
83.04973	3.5
83.08610	3.5
87.04472	3.3
89.05997	3.3
89.12294	1.2
91.05463	21.7
92.05795	1.4
93.07037	29.7
95.04965	9.7
95.08595	29.5
103.05469	2.4
105.03387	6.7
105.04521	2.1
105.07021	100.0
106.07350	5.1
107.04987	2.1
107.08579	30.8
109.10140	13.1
113.00011	2.7
115.05458	1.5
117.07019	9.3
119.08566	38.2
121.10149	16.4
123.04358	1.4
123.08067	1.6
123.11665	3.2
128.06195	3.7
129.06999	4.4
130.07764	1.6
131.08551	22.2
133.08611	1.9
133.10118	32.3
135.08086	2.2
135.11678	7.3
139.01543	7.6
141.06996	1.5
142.07658	2.7
143.08583	8.2
144.09338	3.2
145.10115	26.6
147.10532	2.7
147.11665	26.7
149.13263	5.3
155.08546	4.7
156.09219	1.5
157.10123	11.8
158.10910	2.4
159.11678	22.4
161.13290	8.5
163.14795	2.3
165.12801	1.5
169.10126	5.6
171.11670	9.5
173.13258	12.2
175.14796	6.7
181.10172	1.8
183.04105	1.8
183.11655	5.7
185.13243	7.1
187.14806	8.3
189.16307	2.1
193.12260	2.2
195.11697	2.2
197.13284	5.1
199.14745	6.6
201.16411	12.0
209.13249	2.8
211.14832	3.8
213.16389	6.6
215.17857	2.4
223.14838	2.3
225.16324	3.0
227.17912	4.4
229.19409	1.5
237.07208	1.5
237.16315	3.0
239.17987	2.8
241.19514	3.0
243.21086	1.5
243.99910	1.7
251.14230	1.6
251.18021	1.7
253.19565	1.7
255.21068	3.3
261.22070	2.5
265.19626	2.7
267.15955	11.2
267.21100	3.0
269.22592	1.8
279.21057	3.7
293.22733	2.1
335.26050	8.4
353.28174	2.9
527.36969	3.6
612.28003	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	612.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
53.46389	2.6
55.05502	8.2
56.73797	2.1
57.03432	5.6
66.09809	2.2
67.05499	19.5
69.07056	7.8
69.27217	13.8
79.05482	21.1
81.03416	15.1
81.07056	26.0
83.08611	5.5
87.04440	8.3
89.06020	5.4
91.05445	15.7
93.07033	15.2
95.04952	10.2
95.08607	18.6
103.05451	4.8
105.07027	100.0
106.07352	6.8
107.08573	16.2
109.10137	8.6
113.00007	4.4
117.06992	3.6
118.91833	2.2
119.08589	15.0
121.10131	8.9
123.08150	2.3
123.11699	2.8
125.55989	2.4
129.07005	3.2
131.08553	9.6
133.10097	13.7
135.11667	6.6
139.01495	12.0
143.08578	4.0
145.10069	8.4
147.11650	9.9
155.08543	2.5
157.10068	5.9
159.11697	5.4
161.13258	2.4
171.11711	3.3
173.13278	3.7
183.04265	2.3
185.13322	3.1
193.12202	3.5
197.00951	2.3
199.14740	2.7
211.14891	3.7
267.15942	14.5
335.25793	10.0
493.67899	2.4
527.37292	6.6
612.27643	3.0
612.47260	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	613.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01833	0.5
63.47315	0.4
65.03930	0.6
66.16988	0.4
68.99778	1.6
69.03423	0.9
69.07072	0.4
70.06580	2.7
71.04981	0.5
79.05495	0.5
81.03412	3.0
83.02272	0.6
84.08111	0.6
85.02899	1.3
91.05469	1.1
92.05744	0.5
93.03432	0.6
95.05019	0.5
95.08635	0.4
97.02882	1.3
103.05478	2.2
105.01825	0.6
105.07018	0.8
107.08569	0.5
109.02860	1.5
110.06035	0.5
111.04413	1.5
118.04139	1.5
119.04936	0.6
121.02821	0.6
127.03894	1.3
131.04924	4.6
132.05266	0.6
136.01556	0.7
137.02339	24.6
137.03419	1.7
145.04951	0.6
147.04353	0.7
151.00227	0.5
151.03879	1.6
152.01025	0.7
153.01801	0.8
154.02617	1.2
155.03369	2.8
168.02931	0.8
169.01231	0.7
170.02124	0.5
181.01280	0.7
182.02026	1.1
185.00795	1.0
193.81573	0.5
194.99239	0.7
197.04478	1.1
199.02426	0.6
207.02881	1.8
208.03218	0.6
208.06108	0.6
213.00282	2.5
214.00687	0.5
221.04355	0.8
233.08058	0.7
234.76453	0.5
236.05383	1.0
237.05629	0.8
239.25307	0.4
253.04893	1.7
254.05785	3.6
269.04388	0.8
271.05969	11.1
281.06805	2.0
282.05176	4.2
283.06067	1.3
285.04050	0.5
286.04556	0.8
297.13101	0.5
299.05405	10.1
300.06229	13.5
301.07007	2.3
315.08594	100.0
316.08932	3.6
327.04489	0.7
340.11615	0.7
341.11972	0.8
342.13138	1.1
343.13748	0.6
347.18469	1.8
386.05090	0.5
436.30148	0.5
491.11316	0.7
577.16608	0.7
578.14874	0.5
595.17529	1.2
613.18475	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01873	0.4
57.46552	0.3
61.01155	0.4
64.40094	0.2
65.03938	1.9
67.05477	1.4
68.99783	0.7
69.03416	0.7
69.27694	1.5
71.42902	0.3
72.04517	0.5
78.03786	0.6
81.03422	3.2
85.02910	0.9
91.05492	0.8
93.03415	0.8
95.04966	0.6
97.02893	1.0
98.23476	0.6
102.03753	1.1
103.05486	0.9
105.04545	0.4
108.02095	1.5
109.02887	1.7
111.04422	1.9
111.55828	0.3
112.01598	0.7
115.05426	0.3
119.04949	0.7
121.02841	0.6
121.03950	0.2
125.05981	1.2
127.03908	0.6
131.04929	3.1
131.06372	0.6
132.04764	0.5
136.01636	0.4
140.01056	0.7
141.05478	1.3
149.07431	5.6
151.03906	65.2
151.04984	4.9
152.04251	0.7
168.00554	6.4
169.01309	0.3
169.04947	3.8
173.05971	3.7
181.05000	0.3
183.02878	7.9
186.01599	3.7
213.96010	0.3
258.05225	1.7
261.12820	1.3
268.03571	1.1
269.04370	0.4
285.04047	1.3
285.06842	0.3
286.04706	22.7
287.04932	0.6
295.08075	5.0
301.07053	100.0
302.07431	3.1
313.09189	1.1
321.12558	2.9
322.08823	0.3
330.98788	0.3
358.98508	0.5
359.98157	0.3
433.17877	0.6
437.12241	0.4
502.90079	0.4
508.97919	0.4
613.04205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.1
52.03174	0.1
52.62391	0.1
53.00314	0.1
53.03940	0.4
55.01870	0.4
57.03427	0.1
65.03937	2.1
67.05502	1.1
68.99794	0.4
69.03429	0.8
69.29622	0.5
71.04987	0.2
77.03952	0.2
80.02640	0.1
81.03414	3.7
84.02109	0.4
85.02902	0.9
91.05489	1.0
93.03403	1.3
95.01304	0.1
95.04966	0.9
97.02892	0.8
99.00820	0.3
99.04462	0.3
99.88816	0.1
105.04497	0.2
108.02092	1.7
109.02880	1.3
110.03633	0.3
111.04436	1.7
112.01575	0.6
119.04945	0.5
121.02881	0.4
121.03984	0.3
123.04457	0.3
125.05987	1.5
127.00292	0.3
127.03923	0.4
136.01575	0.4
140.01039	1.2
141.05470	1.7
151.03902	64.2
151.04987	5.6
152.04228	1.0
152.05330	0.1
153.01782	0.3
154.99841	0.1
165.87985	0.1
168.00533	7.4
169.01277	0.4
169.04950	3.8
183.02879	7.5
184.03343	0.1
186.01584	3.5
212.04787	0.1
258.05209	2.0
259.05933	0.1
264.16479	0.1
268.03619	1.2
269.04303	0.6
271.05872	0.1
285.03925	1.4
286.04691	23.3
287.05157	0.7
295.08096	4.1
299.05588	0.2
301.07037	100.0
302.07394	3.2
313.09119	0.7
599.05420	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	613.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75689	0.2
52.33167	0.2
53.03959	0.5
55.01880	0.3
61.58876	0.2
64.87151	0.2
65.03944	1.6
66.96458	0.2
67.05502	0.8
68.99802	0.4
69.03432	0.9
70.07079	0.3
70.07410	0.4
71.26319	0.2
80.02646	0.3
81.03418	2.9
84.02133	0.2
85.02907	0.7
86.03114	0.2
91.05489	0.9
93.03403	0.9
95.04951	0.9
95.76091	0.2
97.02893	0.8
99.04489	0.4
108.02094	1.8
109.02862	0.9
110.73957	0.2
111.04449	2.0
112.01591	0.4
118.12158	0.2
119.04959	0.5
121.02888	0.6
121.04016	0.3
125.05991	1.4
127.00277	0.3
127.03952	0.3
131.04913	0.3
136.01575	0.4
140.01031	1.1
141.05428	1.3
151.03909	59.4
151.05002	5.6
152.04282	0.7
153.01808	0.4
165.74985	0.2
168.00543	7.4
169.01256	0.4
169.04956	3.4
169.06270	0.3
183.02881	7.4
186.01608	3.3
258.05249	2.0
268.03680	0.9
269.04364	0.4
285.03906	1.1
286.04709	25.2
287.05118	0.7
292.25122	0.3
295.08115	4.1
301.07053	100.0
302.07397	3.4
313.09094	0.9
468.38229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92482	0.2
53.03934	0.4
53.98409	0.2
61.10732	0.3
65.03936	2.5
67.01859	0.7
67.05491	1.0
68.99781	0.5
69.03423	1.0
69.37398	1.1
79.05542	0.2
81.03411	2.6
82.04185	0.7
85.02902	2.4
91.05475	0.5
93.03406	0.7
95.04954	1.1
97.02917	0.5
97.06496	0.9
98.23420	0.4
99.04462	0.2
108.02091	0.4
109.02871	0.8
110.03662	1.2
111.04440	0.3
119.04949	1.9
121.02857	0.7
123.04404	0.6
125.05980	0.7
131.04903	0.3
137.05984	0.2
138.03136	0.6
140.04671	2.4
142.02599	0.4
145.02838	0.7
147.04411	0.5
151.03865	0.3
153.01823	4.1
153.05482	1.6
155.07037	1.0
163.03903	0.6
171.06532	2.5
181.04948	48.0
182.01329	0.2
182.05290	1.1
191.07034	0.3
199.05989	2.2
271.05991	100.0
272.06339	2.7
284.24768	0.2
325.09143	2.8
329.23160	0.2
343.10257	0.9
352.90115	0.3
449.18216	0.3
493.16830	0.6
510.24820	0.3
613.21991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
58.04191	0.8
59.73386	0.6
61.56038	0.7
65.03937	4.4
66.78056	0.6
67.01856	1.7
67.05494	0.8
68.99791	3.9
69.03412	1.7
69.07054	1.3
70.70411	1.4
73.02895	2.7
78.34589	0.6
78.41442	0.6
78.95435	0.6
79.05492	1.6
81.07047	1.3
87.04453	2.9
89.06026	8.4
89.49165	0.6
91.05474	15.1
93.07049	1.0
95.01306	0.7
95.04949	0.9
97.06570	0.7
99.04429	0.7
107.04923	1.6
109.02940	0.7
109.06537	1.4
111.04428	1.0
115.05412	0.7
119.04941	28.1
120.05269	1.1
121.02861	36.2
121.06509	1.5
123.00851	1.0
126.38204	0.7
128.06166	0.8
131.04945	1.0
133.08577	4.7
137.02304	3.3
137.05919	1.3
138.05502	3.2
139.05838	1.8
141.01781	1.9
145.02827	4.0
147.04402	64.8
149.02312	9.7
151.03831	1.6
151.07571	0.7
157.01385	0.8
161.06038	0.8
163.03903	4.1
165.01852	4.1
165.05550	3.1
165.06750	0.8
167.03401	11.8
167.11818	0.7
169.06506	0.8
171.04369	0.8
173.06033	1.2
177.01842	1.5
177.05324	0.7
177.11241	1.9
181.01292	1.1
181.04956	1.1
183.06538	7.4
185.06030	0.8
187.03900	2.0
187.07513	1.0
189.05424	1.9
191.03352	1.2
193.04973	1.2
201.05536	0.8
203.06970	1.2
205.05000	0.8
211.05945	1.8
213.05473	1.7
215.03406	0.8
215.06859	1.0
217.01341	1.1
227.07079	0.8
229.05046	1.8
231.06491	2.0
237.05444	0.9
237.07614	1.6
239.06996	1.9
241.04921	3.6
242.05745	0.8
243.06506	2.1
247.05977	5.9
255.06506	12.7
256.06744	0.7
257.04410	2.0
265.04956	4.1
267.06516	41.5
268.07190	8.8
269.04395	2.3
269.07901	2.2
271.06064	1.6
275.05505	1.0
279.06467	3.6
281.04752	1.4
281.08087	7.2
283.06021	13.5
283.09586	1.9
285.07761	0.6
285.11172	3.0
289.08603	1.2
291.06589	4.1
292.07001	1.1
294.87167	0.7
295.05994	100.0
296.06580	9.7
297.07437	8.0
299.09109	0.7
301.07092	1.9
301.10446	1.3
304.07355	1.3
305.07993	1.5
307.06097	10.1
307.09567	1.7
308.06653	1.1
309.07571	4.3
309.10977	1.3
311.05411	1.5
313.07010	1.1
317.08258	1.1
319.09634	3.6
331.06009	1.5
331.09677	0.9
333.07458	2.2
333.11264	2.4
335.05536	5.7
335.09079	1.5
337.10721	2.6
339.12280	3.1
344.06851	1.0
345.11212	0.9
349.06750	0.8
349.10709	1.0
357.11212	1.5
361.10757	2.6
363.08655	1.5
367.10379	0.9
373.11047	1.0
377.10446	1.0
379.11197	0.9
383.09030	2.0
385.10510	1.1
387.08789	1.4
389.10278	1.3
401.10187	2.0
403.11789	2.6
405.09808	0.9
411.08307	1.2
419.11093	3.0
421.12772	7.3
429.09616	3.9
431.11301	1.9
439.13638	0.8
447.10703	8.8
449.12155	2.5
457.09103	3.3
465.11856	2.9
467.13397	1.9
475.10104	8.2
476.10706	1.0
493.11246	11.1
494.11279	0.8
531.13977	1.1
539.16608	2.0
549.15179	3.0
567.16528	17.1
577.14673	7.3
585.17572	6.4
595.15887	18.4
595.30469	1.0
596.15918	1.0
612.30487	1.2
613.16931	14.1
613.31683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25847	0.8
58.04187	1.3
62.02135	0.9
65.03934	3.7
67.01850	2.0
67.05504	1.0
68.99796	2.7
69.03439	1.3
69.77516	3.6
70.79094	0.8
71.04994	1.3
73.02908	2.8
73.06555	1.1
78.08808	0.8
79.05488	1.3
80.05511	2.1
81.03388	1.2
83.28089	0.9
87.04478	3.6
89.06030	10.6
91.05465	15.6
92.79569	0.8
93.03399	1.1
95.04948	1.4
97.02937	1.1
101.06052	1.3
101.13778	1.0
102.06767	1.1
105.07063	1.0
107.05003	1.5
108.07142	0.8
111.04436	1.1
119.04059	1.8
119.04930	33.5
121.02853	35.7
121.03760	2.0
121.06557	0.9
125.51746	0.8
131.04932	1.0
133.08568	5.1
137.02341	2.9
137.05962	1.9
138.05513	2.0
139.05855	1.0
141.01826	1.5
145.02844	4.4
145.06432	0.9
147.04398	64.1
147.72458	0.9
148.04779	1.1
149.02338	9.9
149.06009	1.0
151.03915	2.4
163.03903	3.3
165.01839	2.9
165.05498	3.3
167.03386	11.1
173.05945	1.6
177.01820	2.0
177.11230	2.4
181.01347	1.7
181.04930	2.0
183.06523	6.8
187.03932	2.7
189.01868	1.1
189.05489	1.9
193.05060	1.7
197.04497	1.4
201.05484	1.1
203.06982	1.8
211.05965	2.2
213.05499	1.3
217.01350	1.1
221.13821	1.0
227.06938	1.4
229.04941	1.8
237.07550	1.1
239.07062	2.1
241.04892	4.9
243.06526	1.7
246.07060	1.0
247.05901	5.9
253.50697	0.9
255.06506	13.8
257.04440	1.9
265.05069	4.7
267.06509	43.4
268.07181	7.2
269.04437	3.3
269.07916	3.5
271.06030	2.5
279.06418	4.3
281.04340	2.5
281.08084	5.9
283.05988	18.1
283.09143	1.4
285.11160	4.0
289.08655	1.2
291.06549	3.5
292.07104	1.2
293.07953	1.9
295.05994	100.0
296.06528	10.8
297.07510	8.3
301.06964	1.5
305.08041	2.2
307.06042	11.3
307.09396	1.8
309.07474	3.2
309.10953	1.9
317.08047	1.2
319.09595	2.9
331.05765	1.2
331.09464	1.1
333.07440	2.7
333.11325	2.8
335.05447	4.2
335.08865	1.7
337.10638	1.5
339.12210	2.0
349.07001	1.4
351.12131	1.7
359.09235	1.4
361.10721	2.5
373.10873	1.3
385.10825	1.4
389.10266	1.4
393.00424	0.9
401.10287	2.0
403.11682	2.2
405.09784	1.1
407.10898	1.7
419.11209	4.1
421.12747	8.5
429.09457	4.6
431.11331	1.7
447.10645	9.8
449.12317	1.9
457.09033	2.5
465.11740	2.1
467.13654	2.1
475.10202	9.4
493.11142	12.4
523.17389	1.7
549.15204	4.1
552.29199	0.9
567.16418	18.2
577.15082	6.5
585.17651	6.8
595.07275	1.5
595.15948	21.9
613.16803	12.9
613.31848	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.5
65.03941	2.9
67.05504	1.4
68.99786	7.5
70.50176	2.7
81.03380	2.1
85.02890	7.3
89.21742	1.4
91.41957	1.3
93.03432	2.7
95.04964	2.0
97.02864	3.4
107.04949	3.0
109.02885	2.1
111.04471	5.7
114.10303	1.8
119.04910	2.8
121.02863	100.0
121.03793	3.2
123.04362	2.0
124.76505	1.3
129.33510	1.5
133.06493	1.3
135.04446	3.4
139.03871	2.5
147.04399	4.2
151.03885	2.4
153.01918	1.6
159.04373	2.3
161.05931	3.5
163.03891	21.8
165.01871	2.9
173.02272	1.6
173.05984	2.0
175.03926	2.3
177.01808	4.8
177.05508	3.4
181.04973	3.9
185.05891	1.6
187.03951	3.3
189.01772	4.1
189.05499	2.7
189.49741	1.5
191.03334	3.8
193.05019	1.7
195.02870	4.9
197.05981	1.9
197.73518	1.4
201.05484	3.5
203.03436	3.7
205.04982	8.1
207.02898	7.9
213.05339	1.9
214.43822	1.5
215.03394	2.0
215.96936	1.5
217.04839	8.4
219.02792	11.0
221.04367	1.8
223.06029	2.0
225.03819	1.9
229.04993	5.4
231.02910	9.7
237.03876	2.9
243.02890	4.7
247.05989	4.8
249.03894	2.1
255.03128	1.9
257.04477	2.1
259.06033	6.7
261.03870	13.1
265.07050	2.3
271.06046	6.4
273.03845	6.4
277.07077	2.0
283.05887	2.7
285.03815	8.2
291.04999	4.7
294.05225	1.5
295.06076	8.5
297.03790	2.0
301.06979	3.5
303.04904	5.6
307.06058	3.9
313.06873	2.2
315.04926	1.7
319.08276	1.7
321.06131	3.0
325.07150	6.7
327.04770	7.2
331.08194	1.4
337.06915	7.0
339.07391	9.8
339.10596	1.6
345.06012	4.0
349.07028	3.2
355.08154	4.9
361.06717	2.8
363.07065	7.0
379.08157	7.3
387.07184	2.7
391.08051	4.7
393.08029	5.4
397.09113	2.1
405.08167	4.0
409.09021	7.3
421.09198	5.8
423.09174	5.8
427.10208	4.9
433.08899	2.8
439.10226	3.9
441.10370	7.4
445.11121	4.0
457.11346	14.7
463.10437	2.1
475.11588	5.3
475.56879	1.5
481.11078	4.8
493.11206	3.6
499.12595	1.6
511.12186	7.9
523.12024	2.4
541.13629	2.3
559.14355	3.2
613.29596	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	613.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
65.03930	2.1
66.21383	1.3
68.99770	1.3
69.30454	5.3
70.06567	2.4
71.27729	0.8
72.73968	0.9
81.03416	10.9
91.05472	4.7
92.82290	0.9
93.03410	1.5
94.02938	2.7
95.04989	2.6
100.24109	1.0
100.24787	0.9
103.05460	26.3
103.06108	1.8
105.03408	2.5
108.04479	1.5
109.02892	1.2
110.02393	3.1
115.05461	1.4
118.02927	1.7
119.04967	5.0
121.02879	3.4
122.02441	1.4
124.03908	1.1
131.04921	82.8
132.05295	2.4
136.03923	2.3
140.03419	11.7
147.04408	21.7
147.05441	0.8
148.03896	1.2
148.54225	1.0
149.02333	12.9
164.03360	2.4
165.07001	3.1
167.03384	12.5
168.02916	48.6
173.05977	2.2
175.03931	1.0
176.03453	5.5
177.01808	17.6
178.01364	3.4
178.04944	1.4
178.07848	1.1
179.08604	1.8
188.03450	1.4
189.06992	4.0
190.01338	2.3
190.07748	8.4
191.08548	34.8
192.02943	1.4
192.06511	1.2
192.08878	1.4
194.04539	3.6
195.02885	16.7
196.99680	0.9
201.07002	4.2
201.08881	1.2
202.07797	3.5
204.02927	3.8
205.01353	12.9
206.04529	3.6
207.08025	5.4
214.01340	2.4
215.07004	15.1
216.02969	1.3
217.06480	1.5
218.07266	13.1
219.08034	82.1
220.02524	1.3
220.06117	1.1
220.08311	2.4
222.04022	5.3
223.02388	4.1
229.07600	9.5
232.02469	6.2
233.08127	2.2
234.03944	4.9
235.07549	8.9
237.09062	5.4
244.02412	1.4
247.87714	1.1
253.08621	7.3
256.19220	1.0
258.04041	3.0
260.01901	1.4
263.07025	72.9
264.07355	2.8
276.04990	1.1
280.09756	6.6
281.08173	5.0
284.01852	1.4
288.01566	1.4
288.08640	20.3
291.06494	100.0
292.06845	2.7
293.04211	3.0
296.98367	1.7
298.03476	1.5
298.07059	1.7
298.10608	1.1
301.07034	1.1
302.02856	3.7
308.01843	2.4
308.09161	48.2
309.04077	1.5
309.07468	22.2
312.01416	1.9
314.99368	2.4
316.04706	1.2
326.02869	2.8
326.10205	8.2
327.04684	4.8
342.98868	3.2
343.04388	1.1
343.13699	1.5
344.04028	4.2
354.02502	2.8
361.00140	1.9
412.08002	2.5
423.11935	1.0
430.09393	1.4
446.08765	1.8
449.10141	1.1
453.19717	1.0
458.08487	1.6
464.09537	2.9
474.08182	2.9
490.96832	1.3
491.10971	3.1
492.09454	1.3
509.11716	1.8
532.13501	2.2
537.18988	1.1
550.15314	1.6
554.14282	1.7
560.13068	4.0
568.15814	4.2
570.15674	1.1
577.16083	2.8
578.14545	7.0
595.03949	1.4
595.17059	3.8
596.15503	8.2
613.18274	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	613.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.01874	1.3
57.01834	0.9
60.85441	0.9
65.03930	2.3
66.78521	0.8
68.99789	2.2
69.25037	4.8
70.06593	1.8
79.05505	1.0
81.03419	9.2
82.27281	0.9
84.08178	0.9
91.05457	11.2
94.02939	1.1
98.22713	1.6
103.05455	12.6
105.03391	2.2
107.04936	1.9
109.02879	1.1
110.02411	7.5
119.04931	23.9
120.04524	0.9
121.02869	3.2
121.06515	1.8
123.04479	1.5
124.03931	1.3
131.04921	40.1
132.05249	1.1
136.03963	2.0
137.06004	1.0
138.01881	1.3
139.05014	0.9
140.03435	8.2
147.04398	100.0
148.03876	1.4
149.02350	6.2
151.03934	1.6
164.03403	1.7
165.07036	1.7
167.02135	1.3
167.03397	9.5
168.02904	33.1
168.06592	1.2
171.04430	1.7
176.03400	5.4
177.01805	11.0
178.01353	5.7
178.05042	1.9
178.07816	1.2
178.28917	1.0
179.08495	2.2
185.05759	1.3
188.03470	2.4
189.05464	3.7
189.07056	2.8
190.04999	1.1
191.08585	3.2
192.02892	2.1
194.04529	9.9
195.02878	16.2
196.02451	1.1
199.04045	1.6
201.06764	1.1
204.02992	3.6
205.01262	7.1
205.06502	2.7
206.04521	1.9
207.02840	2.3
207.08040	9.6
212.82010	0.9
214.01250	1.8
215.07034	2.7
216.03030	1.1
217.06482	1.6
218.07350	2.6
219.04105	0.9
219.08075	8.8
220.02440	2.4
222.03934	5.2
223.02390	4.6
223.07489	2.5
231.06465	2.2
232.02472	2.3
233.05981	1.6
234.03987	5.1
234.06592	1.9
235.07509	14.5
237.05205	1.4
239.07175	1.3
244.02429	1.1
251.06999	5.7
253.08562	1.5
258.03976	2.7
261.05396	5.4
263.07056	9.2
269.08112	3.7
272.09143	26.2
278.08185	1.5
279.06500	44.1
280.06781	1.3
280.09634	1.1
282.07562	5.8
284.01816	1.7
288.08633	2.1
291.06482	13.6
296.09146	2.3
297.07501	5.9
298.03607	1.3
298.07111	1.6
302.03003	1.6
307.05984	25.6
308.09265	6.9
309.07608	3.1
310.10727	2.9
314.10193	1.2
322.69272	1.0
324.08618	52.4
325.06906	14.7
326.02921	2.9
327.04587	1.5
336.08484	1.5
342.09760	4.7
344.03961	1.7
362.10114	2.3
364.08322	1.1
372.03537	1.0
381.10818	1.5
388.07785	1.5
391.09180	1.3
407.12546	6.0
409.10315	4.5
420.10721	1.4
430.09128	3.8
431.12567	2.1
432.10767	1.4
433.10165	4.2
448.09991	1.9
458.08633	4.1
475.11453	3.5
476.09613	4.8
532.13916	1.9
550.14539	1.1
560.13391	1.7
577.16010	2.8
578.14520	5.5
595.16919	4.0
596.15454	5.1
613.18506	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	613.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67849	1.2
55.05505	1.3
67.05512	0.9
68.99788	4.5
69.77844	3.6
70.06570	2.8
77.03948	1.0
79.18222	1.0
81.03416	2.8
81.07098	1.0
91.05437	8.2
95.04943	2.4
97.02902	1.4
98.06045	1.5
103.05464	31.5
105.03378	2.0
105.07001	1.3
106.02869	1.0
107.04923	1.2
109.02853	2.4
115.05448	17.4
117.07020	1.3
117.65812	1.1
124.03961	3.9
125.02367	4.2
128.06215	2.0
129.07005	4.4
131.04918	100.0
132.05263	1.6
138.01894	1.6
141.06979	2.0
142.06540	8.1
145.06441	2.0
151.03865	1.4
152.03421	1.3
153.06966	2.0
154.06543	1.2
155.04871	2.5
156.08160	1.6
164.03426	1.3
166.01369	1.4
168.02937	3.1
168.08028	1.5
170.05968	6.2
178.01340	1.4
178.07713	1.7
179.08560	2.9
182.06004	1.0
184.02396	1.3
184.07561	1.7
185.03220	1.5
186.09177	2.1
188.03467	1.3
192.02867	9.2
196.07594	2.2
198.09099	3.1
199.03955	6.6
202.01241	2.1
203.04547	1.8
204.03023	1.3
206.86311	1.2
207.08069	2.0
208.07552	1.1
210.05511	1.4
212.07050	22.2
213.05507	1.2
218.00827	5.0
219.08173	1.0
221.05605	4.7
224.07083	3.8
225.05386	2.0
226.05269	1.2
228.02817	1.4
230.08191	1.9
235.07518	4.7
236.07158	1.4
238.04892	7.2
241.04872	7.0
242.04544	3.7
250.08932	1.1
252.06534	4.0
254.08119	3.8
256.02374	2.3
256.06058	9.4
257.05923	1.3
258.03946	2.2
259.05807	1.1
262.08679	1.6
264.10016	1.7
268.02344	1.3
270.04007	4.5
272.08951	2.0
274.03433	1.1
274.08649	1.8
276.10190	1.1
280.06039	42.5
281.06479	1.5
282.07645	1.6
285.05014	4.7
286.03412	1.4
292.06134	1.4
292.09525	2.6
294.07678	1.7
296.01801	1.9
296.09137	11.4
298.03436	12.7
298.07071	4.2
298.10480	1.1
308.09018	1.7
313.04276	5.0
314.03006	1.6
315.04959	1.8
316.04565	2.0
316.09735	1.4
318.07733	1.8
322.07086	9.1
324.01227	2.1
327.04950	1.9
336.08691	6.9
340.08157	1.2
340.11749	1.8
341.12051	1.7
343.05695	1.3
360.08585	3.8
362.10303	1.3
364.08032	1.8
366.06168	2.4
369.03406	1.2
384.12280	61.2
385.12314	1.7
389.11456	2.4
400.07944	1.4
400.15399	3.4
402.09671	16.9
408.12094	1.4
417.10791	3.1
426.13333	24.6
427.13297	1.1
428.07498	5.7
430.09180	3.9
444.14362	2.5
447.11816	2.6
448.10629	2.5
452.11340	3.3
473.09720	15.3
474.08621	1.5
491.10739	7.0
492.08975	1.5
496.13745	4.2
506.15970	32.6
525.19800	2.5
532.13727	6.4
533.16986	1.2
534.15454	42.5
535.15387	3.8
550.14655	3.8
551.18170	9.2
552.16510	4.7
560.12994	1.7
563.18372	1.6
569.19318	10.1
577.15985	81.9
578.15387	9.7
581.19226	2.6
595.17017	10.9
595.25092	1.8
596.14746	6.3
613.18036	17.7
613.26471	2.3
614.18109	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	1.0
59.04992	0.6
66.03627	0.5
67.05489	1.1
71.08627	0.8
79.05476	0.5
81.07050	1.3
83.08657	0.5
87.04465	1.7
89.06025	3.5
91.05474	1.0
93.07042	1.4
93.36819	0.5
95.04959	0.7
95.08565	0.7
97.53484	0.5
98.23431	1.2
105.07014	6.1
107.08556	0.8
109.10162	0.5
119.08578	1.0
121.06530	1.0
121.10103	0.6
125.87823	0.4
131.08554	0.8
133.08607	1.7
133.10104	1.0
165.09224	0.5
174.78459	0.5
175.14629	0.5
177.11285	0.5
178.23122	0.4
194.64784	0.4
221.13739	0.6
251.44843	0.5
259.30374	0.5
269.79187	0.5
367.97867	0.5
491.18292	9.9
613.21912	100.0
614.22186	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	613.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01868	2.8
55.05510	13.9
56.05022	0.9
57.03424	1.5
61.02934	0.8
65.03935	1.3
65.17683	0.7
67.05504	2.6
68.99797	2.5
69.03429	9.1
69.07069	4.9
69.27101	4.2
70.06591	5.6
71.04988	1.2
71.06927	0.9
72.08138	0.8
73.02917	1.8
79.05501	1.3
81.03419	6.6
83.01334	1.0
83.04980	2.0
83.08617	10.2
84.08154	1.6
85.02899	8.8
87.00806	2.0
87.82955	0.8
91.05455	2.4
93.07049	1.5
95.04977	1.9
95.08599	3.2
97.02896	4.3
97.10179	3.2
99.04454	2.4
100.07615	2.8
103.05466	2.8
105.01895	1.4
105.07039	1.4
107.04950	1.0
109.02877	7.1
109.10189	2.1
110.06074	1.2
112.11248	2.8
115.05453	1.2
121.02856	1.0
121.06561	0.9
121.10165	4.3
123.04436	2.9
127.03901	7.9
129.13864	3.5
131.04912	8.1
132.05263	1.6
135.04404	3.0
143.08578	1.0
145.04924	2.1
145.06560	1.2
147.04404	1.1
149.05960	1.4
150.64668	0.7
151.03903	14.7
151.05054	1.6
159.02910	1.3
159.04343	0.9
159.08096	2.2
161.05998	1.4
163.03946	2.0
163.07498	1.0
165.01825	1.1
165.05440	1.1
168.00540	2.6
169.01361	1.6
169.04947	1.5
169.06374	1.0
171.08043	2.7
173.06007	2.3
173.09660	1.4
175.03967	1.4
175.07545	1.3
175.11159	0.7
177.04123	0.7
177.05470	4.0
177.06799	0.7
179.03397	1.8
179.07034	2.5
183.02849	2.2
185.00902	0.9
185.09631	1.7
187.06032	1.1
187.07535	4.3
189.05516	1.9
189.09125	1.3
191.03366	3.1
191.07059	1.2
193.04974	12.3
193.08614	1.3
194.99265	2.9
195.02943	0.8
199.07568	2.5
201.05627	1.3
201.09111	3.6
203.07079	1.8
205.04933	13.6
205.08505	1.9
206.05682	1.3
207.02924	5.2
208.03389	1.5
208.18024	1.5
213.00307	4.4
213.09128	8.0
214.00633	1.3
215.07031	5.5
215.10692	1.2
217.05005	3.1
217.08527	6.1
218.04399	1.0
219.06496	6.6
219.10159	2.3
221.04462	1.7
223.11211	0.9
225.09186	1.4
227.07071	1.8
227.10690	1.8
229.08601	3.2
230.09299	1.1
231.06526	2.1
231.10126	6.2
232.07393	2.2
233.08073	57.1
234.08481	1.3
236.05522	2.6
237.05959	1.4
241.08586	1.6
241.12300	1.2
243.10149	1.9
244.10980	1.0
245.08096	26.8
245.11909	2.4
246.08717	4.2
247.09648	15.8
250.19101	1.5
251.10672	1.3
251.19514	1.1
252.20685	0.9
255.10260	2.0
255.42828	0.9
258.08878	1.2
259.09677	12.6
259.12741	1.1
259.13336	1.0
261.11234	12.7
267.10086	0.8
268.10907	2.5
269.11716	2.4
271.06039	2.7
271.09628	2.7
273.08167	1.1
273.11111	3.7
281.11847	1.2
283.16779	1.0
286.04724	7.3
286.11700	1.8
287.05478	0.9
287.12854	3.9
287.16400	3.9
293.15262	2.1
296.13763	2.6
299.05505	1.6
300.05804	1.8
301.07071	24.6
301.14322	3.1
302.07404	1.2
311.09497	1.2
311.16510	3.8
312.09509	2.3
314.14883	1.3
322.10965	1.1
329.17447	100.0
330.17828	3.3
340.11929	1.9
341.12033	3.7
342.13208	2.3
343.13773	1.7
347.18549	31.4
365.19470	2.2
369.03528	1.1
473.10623	1.2
476.11511	0.9
491.11383	1.7
509.23889	1.6
551.24860	24.8
577.16577	1.7
578.15234	0.9
595.23999	63.1
596.23828	2.2
613.17175	3.6
613.24646	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	613.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	1.5
72.08155	0.4
74.95743	0.3
79.05485	0.3
81.03405	0.4
81.07026	0.4
85.02927	0.9
86.09718	0.7
87.00854	0.4
91.05816	0.6
94.33882	0.3
97.12860	0.3
121.02835	0.6
127.03931	0.7
157.04364	0.5
160.21449	0.3
171.95415	0.4
259.40317	0.3
263.09119	0.4
267.70160	0.4
316.14337	0.3
316.97223	1.2
318.96909	1.2
401.12708	0.6
513.13373	0.4
513.21362	0.4
613.33997	100.0
614.34363	5.8
637.64343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.482
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	4.2
54.16442	1.9
55.05509	36.7
57.03436	7.7
57.07071	5.9
64.46894	2.2
65.03947	7.0
65.48520	1.9
65.69943	2.0
67.05499	96.0
69.07063	32.0
69.18526	14.2
70.57957	1.7
71.04978	2.7
71.08631	4.1
79.05482	60.6
81.07051	100.0
83.04974	2.4
83.08611	15.5
83.09012	1.9
85.06502	2.2
88.31841	2.2
91.05466	53.8
93.07037	69.0
93.07602	4.2
95.04984	8.4
95.08600	77.2
97.06549	6.0
97.10180	5.8
103.05472	3.1
105.04520	3.1
105.07017	45.7
107.08577	39.9
107.09253	2.9
109.10143	32.5
111.08094	2.2
117.07018	19.1
119.08572	39.5
121.10124	27.5
123.11700	12.2
129.06999	10.4
131.08548	32.1
133.10127	33.3
135.11697	13.8
137.13243	4.7
143.08554	11.6
145.10104	26.0
147.11668	26.1
149.13286	8.6
155.08539	2.2
157.10149	8.7
159.11676	18.5
161.13226	12.5
163.14796	4.1
169.10123	4.2
171.11674	9.9
172.48033	2.1
173.13240	15.3
175.14862	5.1
183.11809	3.1
185.13210	10.4
187.14864	7.5
189.16368	2.3
199.14871	4.2
201.16330	2.9
213.16451	2.2
243.21204	4.0
259.20615	7.9
260.51971	2.1
261.22119	10.0
333.24332	5.7
335.25784	13.2
337.27414	6.4
521.43066	4.2
539.44751	2.6
595.46649	5.4
610.73279	2.2
613.48260	72.2
614.48083	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	614.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	1.1
55.01873	1.6
57.37308	1.2
64.95325	0.9
68.99435	0.9
68.99780	5.0
71.43218	1.4
79.05516	1.5
84.78036	1.0
85.02905	3.8
91.05470	6.8
93.03441	0.9
93.22180	1.1
95.04964	2.9
103.05460	8.7
105.03445	1.8
107.04956	12.6
108.04501	1.6
119.04909	5.1
122.02384	1.0
131.04913	39.8
132.05299	1.9
135.04396	6.3
135.30287	1.0
136.03941	3.9
138.01846	4.5
140.03430	6.0
147.04402	4.0
149.02351	2.0
151.00229	1.4
151.03957	1.8
154.01378	1.4
155.04880	1.2
160.03934	1.1
161.02304	1.8
162.01830	5.6
162.05501	1.8
163.03886	14.0
164.03386	1.7
165.04221	1.9
166.01323	5.8
166.99852	1.7
167.02151	7.9
168.02911	34.3
168.04367	1.7
169.01372	4.3
170.78270	1.0
171.04483	5.5
173.05899	1.2
175.03882	1.3
176.03430	2.5
178.01349	22.4
178.04944	2.4
179.03381	4.5
180.02908	3.0
183.04369	1.4
184.02443	2.0
185.03229	3.2
185.05978	1.4
187.03882	35.0
188.03642	1.2
190.01295	2.2
192.02884	6.4
193.03740	2.1
196.02444	4.0
199.03983	2.7
200.03363	1.7
202.04959	1.5
204.02930	4.5
207.02832	1.9
209.06006	1.3
211.04662	1.1
212.03351	1.1
213.05484	2.9
214.01424	1.6
215.03392	2.7
218.00885	4.5
218.04445	11.6
222.03889	1.6
225.05460	3.6
228.02902	6.5
230.00801	2.4
230.04489	4.5
232.02428	2.2
237.05576	1.5
239.03314	7.0
239.07021	1.3
241.04910	8.2
242.04884	1.1
242.08023	2.0
243.06561	4.1
246.03976	19.9
248.01955	3.5
248.06940	1.3
255.06502	8.3
256.02432	3.3
258.03918	1.4
260.05573	1.4
263.05817	1.1
265.04968	2.5
267.02524	1.4
269.04437	8.4
270.04163	2.0
270.07541	3.1
271.08380	2.9
272.01892	6.4
272.09149	13.1
274.03458	3.1
276.06561	2.1
279.06628	1.9
280.06055	2.5
282.07605	24.0
283.05960	29.1
284.06146	1.6
285.03998	2.0
288.01364	1.5
290.02960	1.9
290.43597	1.2
296.01895	7.0
296.09311	1.6
297.07349	1.4
297.10162	1.8
298.03534	4.1
300.01105	1.5
304.05994	2.5
309.03549	1.4
309.07068	1.7
314.02899	2.5
322.07019	7.7
324.01404	10.5
324.08713	1.1
325.07318	1.2
326.02945	3.6
327.04623	1.4
330.07874	1.2
332.05692	1.6
332.09335	3.8
334.07004	2.1
334.10931	3.6
342.02448	4.8
346.06912	1.2
350.10196	43.3
358.06735	1.4
376.08148	10.8
378.09833	2.2
386.06418	1.3
394.09073	1.7
400.08060	4.7
402.09579	2.1
414.06027	6.6
416.07660	1.6
418.09103	1.5
420.10690	5.3
428.07700	10.0
430.09158	4.5
442.05505	10.9
446.08713	18.0
460.06573	4.6
464.09717	7.7
478.11322	27.3
479.11407	1.8
518.12213	12.1
520.13690	6.0
536.13306	4.4
546.11810	26.1
547.11957	2.3
564.12836	100.0
565.13019	4.8
582.13910	23.6
596.15167	8.3
614.16400	29.1
615.16974	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	1.1
55.01873	1.6
57.37308	1.2
64.95325	0.9
68.99435	0.9
68.99780	5.0
71.43218	1.4
79.05516	1.5
84.78036	1.0
85.02905	3.8
91.05470	6.8
93.03441	0.9
93.22180	1.1
95.04964	2.9
103.05460	8.7
105.03445	1.8
107.04956	12.6
108.04501	1.6
119.04909	5.1
122.02384	1.0
131.04913	39.8
132.05299	1.9
135.04396	6.3
135.30287	1.0
136.03941	3.9
138.01846	4.5
140.03430	6.0
147.04402	4.0
149.02351	2.0
151.00229	1.4
151.03957	1.8
154.01378	1.4
155.04880	1.2
160.03934	1.1
161.02304	1.8
162.01830	5.6
162.05501	1.8
163.03886	14.0
164.03386	1.7
165.04221	1.9
166.01323	5.8
166.99852	1.7
167.02151	7.9
168.02911	34.3
168.04367	1.7
169.01372	4.3
170.78270	1.0
171.04483	5.5
173.05899	1.2
175.03882	1.3
176.03430	2.5
178.01349	22.4
178.04944	2.4
179.03381	4.5
180.02908	3.0
183.04369	1.4
184.02443	2.0
185.03229	3.2
185.05978	1.4
187.03882	35.0
188.03642	1.2
190.01295	2.2
192.02884	6.4
193.03740	2.1
196.02444	4.0
199.03983	2.7
200.03363	1.7
202.04959	1.5
204.02930	4.5
207.02832	1.9
209.06006	1.3
211.04662	1.1
212.03351	1.1
213.05484	2.9
214.01424	1.6
215.03392	2.7
218.00885	4.5
218.04445	11.6
222.03889	1.6
225.05460	3.6
228.02902	6.5
230.00801	2.4
230.04489	4.5
232.02428	2.2
237.05576	1.5
239.03314	7.0
239.07021	1.3
241.04910	8.2
242.04884	1.1
242.08023	2.0
243.06561	4.1
246.03976	19.9
248.01955	3.5
248.06940	1.3
255.06502	8.3
256.02432	3.3
258.03918	1.4
260.05573	1.4
263.05817	1.1
265.04968	2.5
267.02524	1.4
269.04437	8.4
270.04163	2.0
270.07541	3.1
271.08380	2.9
272.01892	6.4
272.09149	13.1
274.03458	3.1
276.06561	2.1
279.06628	1.9
280.06055	2.5
282.07605	24.0
283.05960	29.1
284.06146	1.6
285.03998	2.0
288.01364	1.5
290.02960	1.9
290.43597	1.2
296.01895	7.0
296.09311	1.6
297.07349	1.4
297.10162	1.8
298.03534	4.1
300.01105	1.5
304.05994	2.5
309.03549	1.4
309.07068	1.7
314.02899	2.5
322.07019	7.7
324.01404	10.5
324.08713	1.1
325.07318	1.2
326.02945	3.6
327.04623	1.4
330.07874	1.2
332.05692	1.6
332.09335	3.8
334.07004	2.1
334.10931	3.6
342.02448	4.8
346.06912	1.2
350.10196	43.3
358.06735	1.4
376.08148	10.8
378.09833	2.2
386.06418	1.3
394.09073	1.7
400.08060	4.7
402.09579	2.1
414.06027	6.6
416.07660	1.6
418.09103	1.5
420.10690	5.3
428.07700	10.0
430.09158	4.5
442.05505	10.9
446.08713	18.0
460.06573	4.6
464.09717	7.7
478.11322	27.3
479.11407	1.8
518.12213	12.1
520.13690	6.0
536.13306	4.4
546.11810	26.1
547.11957	2.3
564.12836	100.0
565.13019	4.8
582.13910	23.6
596.15167	8.3
614.16400	29.1
615.16974	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.00301	1.1
53.03948	0.7
63.59082	0.7
67.05511	0.7
68.99789	6.4
69.03426	1.5
70.06575	2.2
72.85863	0.7
77.03898	1.0
77.80856	0.9
78.36575	0.9
80.06286	0.7
80.66219	0.7
81.03416	1.2
84.08121	1.3
85.02872	2.1
91.05479	2.8
95.01328	0.9
95.04958	3.2
96.04495	1.0
97.02954	0.8
100.07620	1.3
103.05456	26.1
104.04980	0.9
105.03404	1.1
105.07023	1.9
107.01324	0.9
107.04936	2.4
108.04495	1.1
108.19749	0.7
109.02890	0.9
115.05466	1.2
119.04931	1.6
120.04440	1.0
121.02850	1.4
121.06521	0.9
123.00790	1.0
131.04912	58.9
132.05251	1.1
135.04396	1.7
136.03888	3.7
138.01857	2.0
139.00266	1.2
140.03412	3.0
147.04395	1.6
148.03894	0.8
149.02351	2.7
150.01910	1.8
151.03949	2.2
152.10706	0.9
153.07086	0.8
157.06512	1.0
160.03976	2.1
161.06007	1.1
162.01952	0.9
163.03897	2.9
163.07500	0.9
164.03404	1.4
165.01837	2.5
165.06985	0.8
166.01306	1.1
166.99709	0.9
167.03406	3.4
168.02892	17.5
169.01318	3.5
171.04358	1.4
172.03944	1.0
173.05992	2.0
176.03487	1.1
177.01836	3.3
178.01332	26.7
179.03418	1.8
183.02910	1.9
185.00822	5.3
187.03899	17.9
188.03326	1.3
190.01332	1.4
192.02878	6.1
195.02930	2.1
196.02373	1.5
197.06021	1.1
200.03456	1.7
201.01857	1.1
202.05060	0.8
204.02885	4.2
205.01303	4.2
207.02908	2.8
209.00861	0.8
213.05452	1.1
214.01413	1.0
218.00880	7.6
218.04427	10.5
219.30745	0.8
223.02428	1.4
223.07565	3.0
228.02890	9.8
229.01357	1.4
229.04887	1.2
230.04500	2.0
231.02936	1.1
232.02339	3.8
240.02982	1.1
241.04994	2.2
244.02184	0.9
246.03951	21.7
246.06500	1.1
248.02028	1.3
248.07137	1.5
253.08594	1.5
254.00917	1.0
254.04356	0.9
255.02924	2.1
256.02234	1.0
256.06033	5.2
262.08792	1.8
268.02280	1.0
268.06021	1.8
269.04486	3.5
269.07822	0.9
270.04196	1.8
271.05914	4.2
272.01974	1.0
272.06534	0.9
274.03528	1.5
278.08102	2.0
281.08365	1.0
284.02438	1.0
284.05579	3.4
285.06259	6.1
285.18671	1.1
286.07251	2.7
287.04971	1.0
288.01370	1.0
290.08118	1.0
294.07596	0.8
296.01880	5.2
296.05569	11.1
298.03543	2.1
300.01654	0.8
301.07019	1.8
302.06802	4.3
306.02545	2.1
308.05447	1.1
308.09055	1.3
309.07471	7.0
310.07147	1.8
311.07733	1.0
314.02991	1.9
314.06628	6.2
315.01202	1.0
316.00842	1.0
318.07510	1.5
324.01334	16.5
326.10236	1.3
331.19003	2.2
332.09198	1.1
336.04962	1.7
336.08551	7.4
342.02454	8.8
346.07236	2.5
354.06152	2.0
356.03937	1.5
360.03775	1.1
364.08115	11.3
372.08548	1.5
382.09204	19.5
386.06543	1.8
390.06223	1.2
400.07977	3.3
408.07010	1.2
410.08749	1.6
414.06110	2.2
428.07639	3.8
432.07190	1.3
442.05551	8.0
446.08713	2.5
457.05811	1.2
460.06390	5.6
467.38919	0.8
475.06570	2.8
478.07550	14.2
510.10220	9.5
518.12396	3.0
536.13153	2.0
546.11804	4.6
554.14453	0.9
561.11530	1.7
564.12878	14.6
579.12585	2.3
582.13867	35.8
583.14410	1.7
596.15607	1.5
614.16449	100.0
615.16992	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	614.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.6
59.06103	1.5
59.91468	0.9
60.05648	36.3
61.16583	1.0
62.80896	1.0
64.32397	1.1
67.05509	2.2
69.10887	7.8
70.06588	3.4
81.07061	2.2
88.07647	2.3
93.06995	1.2
95.04970	1.3
105.03400	2.8
105.07037	3.5
111.56760	1.0
117.02708	1.2
119.08585	1.8
121.10176	1.3
124.03970	2.3
125.28902	1.0
133.10127	1.6
149.02344	6.9
149.05989	13.6
193.04951	6.4
256.26361	4.2
297.07629	3.2
297.61819	1.1
300.29034	6.1
341.10220	12.8
384.92496	1.2
385.09174	2.4
537.68005	1.2
614.21503	100.0
614.36743	19.1
615.21832	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	614.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.7
70.06583	3.5
71.43486	0.9
88.07646	4.3
93.07074	1.3
93.41426	0.7
102.09177	2.7
105.07027	1.6
120.88905	0.9
124.03975	3.3
133.10179	0.7
147.04475	1.0
149.02327	11.4
154.73071	0.8
189.97302	0.9
193.04950	11.6
242.46396	0.8
256.26343	11.6
260.92395	0.8
298.40073	0.8
313.07089	1.1
341.06558	3.0
359.07349	1.7
385.09186	10.0
492.17841	3.8
567.20837	0.8
596.27875	1.0
614.21252	100.0
614.32770	23.7
615.21796	6.2
615.31329	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	614.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43519	0.5
67.05499	0.6
69.75210	1.8
70.06596	1.5
79.05483	0.7
81.07066	1.0
83.04946	0.4
88.07629	1.0
91.05486	1.1
93.07056	1.0
95.08627	0.5
102.09192	0.9
105.03410	1.3
105.07065	1.9
119.08571	0.8
124.03996	1.9
129.07069	0.5
131.08595	0.6
135.08076	0.7
145.10210	0.8
146.02197	2.1
147.93803	0.5
149.02354	2.5
149.09607	0.7
157.10164	0.7
193.05026	2.2
256.26514	2.1
333.11905	0.6
333.42484	0.6
341.06787	1.0
385.09302	2.2
443.27405	0.6
491.18326	4.4
492.19922	1.8
598.84802	0.6
614.22876	100.0
614.33325	4.3
615.23022	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	614.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.6
55.01862	2.9
55.05515	3.6
57.03429	2.4
65.03930	1.8
67.05504	6.7
68.99796	1.9
69.03424	17.6
69.07081	2.9
70.55532	3.0
71.04996	3.0
73.02915	3.2
79.05487	11.2
81.03413	21.5
81.07057	23.3
83.04981	2.7
83.08643	1.7
85.02904	19.8
87.00822	15.2
88.76097	1.5
91.05463	12.7
91.80194	1.4
93.07049	6.2
95.04957	4.1
95.08592	7.5
97.02888	31.1
97.06516	4.7
99.04461	7.8
105.01855	9.9
105.07024	34.0
106.07314	1.8
107.04938	4.8
107.08602	7.1
109.02871	29.4
109.06475	2.2
109.10159	4.9
111.04450	5.5
117.03403	3.6
117.07028	5.1
119.04942	6.0
119.08570	28.4
121.02845	4.4
121.10128	3.6
123.04428	1.9
123.08041	2.3
125.05983	21.3
127.03910	27.4
129.01793	1.9
129.05498	1.9
129.07050	1.8
131.08565	9.0
133.10104	14.3
135.11690	2.0
137.05927	2.0
138.05540	4.8
141.06987	2.1
142.07745	3.2
143.08569	7.9
144.09360	1.6
145.02856	11.5
145.04945	4.8
145.10104	13.9
147.04407	20.7
147.08075	2.1
147.11647	7.5
155.08563	5.4
156.09337	2.7
157.10075	10.8
158.10840	1.8
159.02879	4.5
159.11696	14.7
161.13251	10.5
163.07617	2.0
165.83885	1.7
167.08618	2.6
169.10088	10.7
170.10794	2.3
171.11661	9.7
172.12437	3.7
173.09616	2.3
173.13278	10.2
175.14806	3.4
177.05478	15.8
181.04942	1.9
181.10080	2.9
183.08226	2.0
183.11665	9.4
185.09689	2.1
185.13239	8.5
187.11165	2.3
187.14864	7.7
191.01512	1.5
191.10754	1.7
193.10118	3.6
195.11639	6.8
196.12669	2.2
197.04472	3.5
197.09621	2.4
197.13321	5.7
199.11220	5.5
199.14799	2.4
201.09085	1.9
201.12697	3.5
202.13554	1.7
204.10197	8.0
205.12267	3.1
207.11790	1.8
208.12459	2.7
210.14027	1.6
211.11195	4.0
211.14812	2.3
213.03973	4.0
213.12807	4.2
213.16312	2.3
217.12257	4.9
219.11845	1.7
223.14790	8.9
224.15375	2.1
225.12747	3.2
225.16353	5.2
229.12253	6.6
231.05003	6.1
234.11247	4.3
237.16374	3.0
239.14330	2.2
239.17986	12.0
243.13789	2.9
249.16362	5.8
255.17380	7.6
257.18967	2.4
267.14130	2.6
267.17426	17.2
285.18451	100.0
286.18860	3.6
292.20160	2.7
295.16879	13.5
301.17987	2.7
303.19528	9.0
313.17923	44.0
313.21426	2.6
331.19012	82.6
332.19379	3.2
418.06665	2.6
419.07587	5.3
420.22699	4.7
438.23801	8.0
441.81635	1.4
450.23917	4.4
468.24939	10.9
499.23096	1.8
515.22980	3.6
525.21271	1.9
543.22186	14.2
561.22998	4.6
579.24286	23.0
614.31525	2.7
615.11517	11.0
615.20050	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	614.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01871	0.8
55.05495	1.2
65.03931	0.8
67.05518	2.0
68.05008	1.2
68.99787	2.2
69.03427	2.3
70.06586	4.8
70.21049	1.7
72.08148	1.7
72.33652	0.8
79.05489	2.5
81.03412	1.3
81.07054	1.6
82.06572	2.3
83.04960	0.9
84.08137	4.6
85.02897	3.7
91.05442	1.3
93.07052	2.4
95.04944	4.8
95.08601	2.1
96.08148	1.2
98.09669	1.0
99.04456	1.0
100.07605	2.9
103.05455	14.2
105.03357	1.0
105.04518	0.8
105.07027	1.4
107.04944	1.5
107.08601	2.2
109.02859	1.1
109.08892	0.8
109.10141	2.0
110.09675	1.5
112.66198	0.8
115.05473	1.1
117.07005	2.5
121.06413	1.3
121.10171	1.5
124.07587	2.0
124.11253	1.9
125.09615	2.4
131.04916	34.8
131.05902	1.7
131.08539	1.2
132.05258	2.1
135.04352	1.3
136.03926	1.7
138.01863	0.9
140.03421	2.1
147.04391	1.0
149.05948	1.5
151.03882	3.6
151.07535	16.8
152.07872	0.8
152.10677	12.3
153.05472	2.2
155.04907	1.0
159.08064	1.6
161.06088	0.8
163.03897	1.9
163.07527	36.8
165.01849	2.0
165.09128	2.1
167.07065	1.2
167.08488	1.0
168.02890	8.6
169.01352	1.6
169.13356	1.1
171.04434	1.0
173.05896	1.3
177.01878	1.5
177.09091	32.4
178.01340	12.6
179.10648	1.4
185.00847	1.4
185.09608	1.4
187.03868	6.6
187.07574	1.1
189.09114	2.1
190.01318	1.1
192.02905	3.0
194.04170	0.9
195.02902	0.8
195.07999	0.9
199.03889	0.9
200.03477	1.2
203.10652	6.6
204.02975	1.7
207.02840	1.2
214.01312	1.3
215.03308	1.0
215.10704	0.9
218.00858	3.5
218.04428	4.5
221.16441	5.1
223.07550	2.3
224.16388	1.6
228.02902	3.5
230.04504	0.8
231.02850	0.9
232.02525	1.8
240.20874	1.0
246.03922	9.2
247.04500	0.8
256.06094	2.8
269.04428	2.4
284.05396	1.2
285.06384	2.4
285.18420	6.4
286.07294	1.1
294.22998	2.4
296.01889	2.9
296.05518	4.2
301.06613	0.9
302.07144	2.4
303.15964	4.3
303.19147	1.1
306.02530	0.9
309.07605	1.3
310.24875	2.3
313.18079	1.2
314.03055	1.1
314.06567	3.0
324.01328	8.1
331.18997	100.0
332.19241	5.5
336.08694	2.0
342.02396	5.2
346.07184	1.2
348.18695	1.8
354.06055	1.1
364.08182	5.4
365.08392	1.0
382.09161	10.1
390.06174	1.2
400.08582	1.0
414.05884	1.2
428.07681	2.0
432.06970	1.2
442.05377	4.4
446.08377	1.2
460.06470	3.5
478.07489	7.5
510.10297	4.0
518.12311	1.6
546.11786	2.3
564.12732	6.8
565.12518	1.2
582.13837	19.5
583.14429	1.9
614.16431	42.5
615.16840	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	614.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
54.36634	0.5
54.45576	0.5
55.05492	2.0
57.03409	0.6
57.07060	0.6
61.73161	0.5
62.59422	0.5
67.05502	2.5
69.03415	1.6
69.07063	1.1
69.23073	1.9
69.23482	1.3
73.06515	0.8
78.03445	6.6
79.05473	3.1
80.05006	4.6
81.03410	8.9
81.07046	4.2
83.04969	0.8
83.08599	0.8
87.04440	0.6
89.06023	0.8
91.05450	4.1
93.07031	4.4
95.04919	1.5
95.08578	4.5
96.04492	4.6
97.06543	0.7
103.05397	0.6
105.07018	9.1
106.02902	14.9
107.08573	5.4
109.02810	0.7
109.06480	2.5
109.10124	1.3
111.04401	1.7
115.07556	21.0
117.06992	3.3
119.06080	0.5
119.08561	10.1
119.84499	0.5
121.10117	4.2
123.08051	2.9
124.03934	100.0
125.04293	0.8
127.03903	4.2
128.06190	0.8
129.06987	1.7
130.07771	1.0
131.08574	5.3
133.08559	0.8
133.10127	5.1
135.08006	1.1
135.11684	1.5
141.06967	1.0
142.07782	1.2
143.07060	3.0
143.08572	4.1
144.09364	1.4
145.10100	23.1
147.08051	0.7
147.11685	3.6
148.76514	0.5
149.09589	1.3
155.08517	1.6
156.09303	1.3
157.10104	6.7
158.10880	2.1
159.11673	9.6
161.09557	1.2
161.13255	2.2
163.11105	0.7
166.81367	0.6
167.08580	0.5
169.10127	2.5
170.10866	2.4
171.11670	2.3
172.12413	3.5
173.09579	1.0
173.13179	3.5
175.11076	0.6
175.14856	1.7
177.16353	1.3
183.11639	2.6
185.09630	0.7
185.13211	3.0
187.14786	40.4
188.15428	0.8
195.11784	1.2
197.13225	1.3
198.13872	0.7
199.14804	1.3
201.09108	0.7
201.12784	0.5
201.16341	1.2
203.14273	6.7
205.15823	4.7
207.11720	0.8
209.09554	0.6
209.13129	1.1
211.14671	0.6
215.14316	1.5
216.15041	0.9
225.12686	0.6
225.16318	0.8
229.12230	0.6
231.10115	0.6
235.14894	1.0
239.10478	1.1
239.18031	0.8
249.16341	1.5
267.17331	1.7
268.13165	0.8
271.16696	0.5
277.15790	1.2
285.18460	1.1
295.16855	3.5
310.17935	0.7
313.17957	11.4
325.66895	0.6
331.18912	0.7
436.21127	1.7
451.56653	0.6
454.22040	3.3
547.44788	0.6
554.27271	0.9
582.24530	0.6
596.28589	4.7
614.29779	7.3
624.08667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
55.01859	1.0
55.05503	1.5
65.03938	1.0
66.81202	0.6
67.05505	3.8
69.03428	0.6
69.07049	1.2
70.68102	0.8
71.57259	0.5
73.06551	1.5
78.03460	11.1
79.05479	2.5
80.05009	6.1
81.07040	2.1
83.04977	1.7
91.05474	5.0
93.07034	3.3
95.04958	1.5
95.08591	2.9
96.04486	5.1
97.06506	0.7
105.07020	6.2
106.02914	33.5
107.08589	3.2
109.06512	6.0
109.10146	0.8
111.04441	6.1
115.07563	29.9
117.07002	1.8
119.08576	11.7
121.06518	1.8
121.10102	1.2
123.08058	0.8
124.03947	100.0
125.04279	0.6
128.06165	0.8
129.06996	1.8
130.49498	0.6
131.08559	5.2
133.06474	1.3
133.10115	5.1
135.08078	1.0
137.05850	0.6
141.07021	1.2
142.07751	2.2
143.07033	5.3
143.08572	4.9
144.09308	1.0
145.10109	4.7
147.08075	1.5
147.11713	1.8
149.09650	1.5
151.07553	0.7
153.06992	0.7
155.08527	3.0
156.09349	2.7
157.10129	5.9
158.10919	0.9
159.07990	1.5
159.11684	4.7
161.09642	2.0
161.13243	1.0
163.07532	0.7
167.08533	1.4
168.09322	0.8
169.10153	5.3
170.10884	2.6
171.11694	4.5
173.09607	1.8
173.13275	3.2
175.11217	1.6
179.08569	1.9
181.10056	3.0
182.10889	0.9
183.11658	6.4
184.12389	0.8
185.09566	1.0
185.13237	4.0
187.11197	2.1
187.14816	1.2
191.10684	0.7
192.09389	1.1
193.10123	2.6
194.10852	0.8
195.11708	2.9
196.09114	0.6
196.12511	0.9
197.09625	0.9
197.13261	7.3
198.13902	1.2
201.12721	1.1
203.10780	0.8
203.14278	2.4
206.10892	1.0
207.11697	1.9
209.09651	1.0
209.13248	4.0
211.11182	1.4
211.14777	3.3
215.10669	1.1
219.11609	1.9
220.12508	1.1
221.13322	1.3
223.14825	1.3
225.12727	1.0
225.16328	2.4
234.14059	1.5
235.11128	1.4
235.14810	2.8
237.12752	0.8
239.10843	0.7
249.16393	3.0
251.18048	0.6
253.12149	0.8
253.15984	3.4
255.13831	0.8
266.11792	0.6
267.17438	2.1
271.16882	4.8
277.15875	2.2
285.18564	2.5
294.01450	0.6
295.16949	10.1
313.17950	10.0
331.19238	1.0
418.20120	4.1
436.21109	4.5
454.22223	0.9
536.26318	1.4
554.27417	2.0
578.27454	7.8
596.28497	15.4
597.28430	1.0
614.29553	4.8
615.21307	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	614.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.5
55.05514	3.9
56.05024	5.4
57.03424	1.5
57.05811	2.5
58.06585	5.2
65.03931	1.1
67.05492	12.6
68.05027	10.9
68.99780	2.7
69.03427	7.2
69.07053	2.3
69.53300	3.5
69.53698	2.7
70.06585	29.4
71.04969	2.3
71.07355	1.4
72.04506	1.5
72.08156	12.0
73.02930	1.3
79.05490	8.2
80.05024	1.8
81.03402	5.3
81.07041	7.4
82.06577	18.7
83.04971	5.3
83.07346	9.9
84.04485	2.2
84.06874	2.2
84.08135	48.0
85.02895	8.7
85.07669	2.2
86.06056	2.5
87.00826	2.2
87.09204	1.2
91.05448	2.6
93.07008	1.8
94.06553	2.4
95.04963	18.2
95.08596	2.2
96.04453	3.4
96.08117	16.0
97.02886	2.0
97.08896	2.4
98.06028	1.9
98.08421	2.5
98.09674	8.3
99.04478	1.7
99.06840	3.4
100.07612	29.4
101.07163	2.2
101.08392	4.7
101.10788	1.9
103.05450	8.1
105.01866	2.9
105.07008	3.7
107.04939	3.3
107.08551	6.4
108.08125	3.0
109.02872	4.0
109.08884	8.2
110.05993	2.6
110.09677	13.2
111.09225	1.9
111.10433	1.2
112.07581	5.4
112.11215	3.2
115.12329	2.1
122.09658	6.0
123.04409	1.2
124.07571	14.2
124.11225	14.6
125.09614	15.1
125.10712	3.5
126.09146	2.1
126.11546	2.0
127.03913	6.7
127.11186	1.4
127.12273	1.9
129.10223	4.3
131.04916	33.3
131.05896	2.3
138.09122	4.7
138.12808	2.6
139.09875	1.5
139.75043	1.2
140.10680	1.9
145.04871	1.6
147.04407	1.2
149.09633	2.2
151.03842	3.6
152.10692	100.0
154.12230	2.5
155.11755	4.6
155.12955	1.6
156.12569	3.3
156.13760	2.1
163.07495	2.4
164.10728	2.5
165.09077	1.3
166.12338	1.2
168.02936	2.0
168.12529	6.5
169.01332	1.2
169.13373	4.9
170.14159	1.7
171.14948	2.6
177.05426	1.4
178.01297	1.5
178.15878	2.2
179.15485	1.5
181.13408	2.2
182.11774	4.9
182.14099	1.4
185.00700	1.5
186.16025	1.5
187.03888	1.8
188.17549	2.4
193.13336	4.6
194.15401	4.9
195.14842	1.4
196.16966	7.0
198.16071	2.7
199.02278	2.3
202.39566	1.7
205.05025	2.5
206.05327	2.7
206.15392	2.2
207.14729	1.4
208.03098	1.7
208.15651	2.9
210.14978	1.7
211.14450	4.5
221.16460	41.0
222.17209	1.3
223.18083	3.6
224.16365	9.1
231.69496	1.1
233.08084	6.9
234.08383	6.5
238.19144	5.3
239.17491	1.8
240.20683	4.4
241.04907	2.6
241.19081	5.7
246.03897	2.1
246.08784	2.1
247.09366	1.9
250.19049	3.0
251.17569	2.1
251.21135	2.0
253.19276	1.9
259.06009	2.8
268.20264	2.5
271.05984	3.5
277.22614	1.5
285.18390	1.7
286.07788	1.4
292.23956	2.2
293.24805	2.0
294.22998	21.7
302.07211	2.3
310.24869	26.2
311.25494	5.5
330.17841	2.4
331.18896	5.0
347.18503	30.0
348.18811	55.3
349.19553	3.0
365.19714	9.0
366.19916	22.1
510.23700	1.9
519.13086	1.1
564.32800	1.5
582.13647	2.0
596.24347	2.9
614.16180	4.2
638.72589	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	614.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74761	3.8
55.05501	4.6
65.16483	3.2
66.23348	3.6
67.05493	6.5
67.07646	3.6
67.55722	3.9
69.03454	3.7
69.07056	5.8
71.04998	5.4
79.05505	13.6
81.07049	11.5
83.30654	3.8
87.04437	7.6
89.06020	7.7
91.05490	16.4
93.07034	15.0
95.04948	9.1
95.08614	13.9
105.07023	28.2
107.04934	4.5
107.08614	12.3
109.06528	5.9
117.07015	4.8
119.08567	27.6
121.10114	18.3
123.08053	5.9
124.03966	18.1
127.01586	10.7
129.07022	5.8
131.07033	4.0
131.08585	15.9
133.08543	5.3
133.10123	32.4
135.08069	11.3
141.07001	4.4
142.07823	10.3
143.08568	11.5
145.08592	19.5
145.10109	23.0
147.08081	5.4
147.11708	15.4
155.08459	6.0
156.09392	6.9
157.10114	23.3
159.08072	7.6
159.11716	20.2
161.09593	8.7
167.08534	4.5
167.10733	4.4
168.09416	4.1
169.10101	11.0
170.10905	8.4
171.11679	31.3
173.09673	8.0
173.13243	20.0
175.11203	7.4
175.14784	4.2
181.10065	7.5
183.11667	41.1
184.12379	4.7
185.09628	8.3
185.13277	16.9
187.11278	4.4
187.14795	22.1
188.15575	6.0
193.10268	5.4
195.11757	11.7
197.13252	10.2
198.14023	28.0
199.11232	4.9
199.14786	21.9
201.09193	4.4
201.12688	9.2
203.14365	11.4
207.11713	5.6
209.13165	7.0
215.14355	5.1
216.15033	8.9
217.15823	5.4
237.16458	5.9
239.18018	9.4
241.15826	4.2
255.17430	8.9
265.15848	13.3
283.16934	13.9
287.16605	7.2
293.15314	6.1
301.18027	13.5
311.16379	100.0
312.16748	4.8
329.17490	85.0
347.18732	7.2
371.18677	9.4
401.46909	4.3
452.24213	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	614.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
53.03946	0.4
53.16539	0.3
55.36440	0.3
57.07062	0.9
59.04996	0.9
71.08616	1.1
73.75090	0.3
77.03929	0.6
78.31903	0.3
79.05486	5.5
85.10178	0.6
87.04461	12.8
89.06019	4.1
91.05459	1.1
93.07035	1.2
95.04957	2.9
98.23488	0.7
103.03937	12.0
103.05445	4.2
104.88770	0.3
105.07020	100.0
106.07354	1.2
107.07027	0.4
107.08572	0.9
109.06565	0.8
117.07014	0.6
119.08578	0.5
121.06493	4.8
131.07028	0.4
131.08556	0.5
133.06445	1.6
133.08620	1.6
135.08049	3.9
147.06572	0.8
147.08023	0.7
149.09601	0.8
153.09064	1.9
159.08047	0.9
161.09642	0.9
165.09102	2.2
177.09073	0.7
177.11208	0.6
179.10684	1.1
183.10175	1.1
191.10674	0.5
209.13268	2.8
221.11728	5.6
221.13667	0.4
239.12779	5.5
239.15038	0.5
245.43071	0.3
251.14320	1.4
257.15244	0.6
269.15271	0.4
285.13300	29.5
286.13623	0.6
295.16953	0.4
303.14255	1.8
327.17245	0.5
343.19098	0.7
389.19510	3.0
407.20477	0.7
446.76413	0.3
462.68835	0.4
537.54333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03925	0.6
57.07068	1.5
59.05007	0.8
60.74873	0.3
71.08623	1.2
71.10406	0.7
77.03950	0.7
79.05482	4.1
87.04463	10.6
89.06020	5.0
89.66216	0.4
91.05453	0.8
93.07043	1.3
95.04972	2.4
103.03937	10.9
103.05449	3.9
103.07599	0.5
105.07024	100.0
106.07363	1.2
107.08620	0.6
109.06552	0.4
117.07017	0.5
119.07002	0.4
119.08530	0.4
121.06496	4.7
129.06937	0.4
133.06516	1.9
133.08601	2.9
135.08060	3.6
147.06505	0.6
147.08032	0.8
149.09659	0.4
153.09157	1.9
154.40550	0.4
159.08058	1.3
161.09601	0.9
165.09082	1.9
177.09175	0.5
177.11243	1.3
179.10649	1.4
183.10127	0.7
191.09061	0.6
191.10774	0.4
209.13298	3.1
221.11711	5.1
239.12779	5.1
239.14978	0.6
251.14319	1.4
285.13309	27.3
286.13770	0.9
303.14331	2.3
327.17502	0.9
329.18872	0.7
343.18875	0.5
387.18015	0.4
389.19507	4.6
407.20700	0.6
494.23419	0.6
614.34515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21069	0.4
51.02373	0.6
52.97010	0.5
53.03933	0.5
56.53031	0.4
59.04998	18.5
60.22853	0.4
62.80103	0.4
63.42814	0.5
64.88743	0.4
70.92641	0.6
73.02928	0.6
77.03941	0.9
79.05482	5.2
87.04470	0.8
87.55311	0.4
89.06007	2.3
91.01978	0.4
91.05474	1.7
93.07037	1.9
95.04964	2.6
101.11308	0.4
103.05461	4.8
103.07574	18.1
105.04503	1.3
105.07021	100.0
106.07355	2.0
119.08581	0.6
121.06494	9.8
121.29000	0.4
121.35930	0.4
129.06978	0.5
131.08543	1.4
133.08589	1.3
147.08057	1.3
147.10139	2.5
147.11166	0.5
150.94023	0.5
165.09093	3.2
169.25690	0.4
191.12779	0.6
209.11717	1.4
209.13397	0.6
225.12784	1.3
251.14307	3.6
269.15302	1.0
271.82657	0.5
285.16919	18.1
286.17374	0.6
295.16995	0.6
295.33228	0.4
303.17990	7.8
307.03290	0.4
327.17517	0.8
329.19138	1.4
341.26492	0.5
389.23077	4.3
390.23459	0.5
407.24377	3.3
580.34595	0.5
614.38361	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	614.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	33.2
57.03413	18.5
57.07088	8.7
67.05495	74.3
69.07056	29.9
70.70108	13.2
79.05485	38.9
81.03416	80.9
81.07054	78.4
83.04998	11.7
83.08620	19.2
89.06007	23.9
91.05455	44.5
93.07027	27.2
93.41501	7.1
94.88718	7.9
95.05000	34.8
95.08604	52.7
95.55588	7.4
97.10165	15.5
97.25077	7.9
105.07014	68.1
106.07405	10.3
107.04911	10.1
107.08552	18.6
109.06481	8.9
109.10136	29.4
119.08561	36.6
121.10126	23.9
128.06259	11.4
129.06996	16.5
131.08551	21.2
133.06551	7.6
133.10120	21.2
143.08510	13.2
145.10115	15.0
147.11671	19.0
149.13248	9.1
157.10121	16.2
159.11728	13.6
171.11641	8.1
188.87267	7.3
193.10085	8.0
193.12221	17.1
228.28514	7.4
267.15878	100.0
316.96649	7.3
337.27374	65.4
348.23602	7.5
352.23935	17.4
474.75128	7.3
476.29007	13.1
529.38818	51.7
547.40015	11.0
562.10297	8.1
582.33704	7.3
614.38928	10.7
614.48029	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	615.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01876	0.4
65.03932	1.3
67.05497	0.7
68.99787	0.3
69.03424	0.8
79.05484	0.5
80.02618	0.1
81.03415	3.0
85.02892	1.0
85.37569	0.1
93.03426	0.7
95.01284	0.2
95.04954	0.7
97.02876	0.5
99.04450	0.4
101.34738	0.1
103.05434	0.1
105.04521	0.4
105.59720	0.1
107.04948	6.5
108.02083	1.0
109.02168	0.2
109.02867	1.3
111.04447	1.1
113.02384	0.2
121.04002	0.2
123.00756	0.5
123.04318	0.2
125.05997	0.9
127.03905	0.4
135.04404	2.4
136.01543	0.2
137.02328	0.9
141.05441	1.2
151.03897	62.8
151.04968	4.2
152.04233	1.1
153.01823	0.1
169.01311	32.6
169.04922	3.0
170.01657	0.4
253.07053	0.2
257.04443	0.2
261.03970	0.4
290.56985	0.1
295.08118	5.4
296.08356	0.1
302.03931	0.2
303.04956	100.0
304.05273	3.1
313.09210	1.7
465.10449	0.2
484.12665	0.2
587.21783	0.1
615.13220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.2
56.82082	0.2
58.72723	0.1
60.47798	0.2
65.03929	0.2
67.05488	0.3
68.99785	0.4
69.03419	0.3
70.06616	0.1
71.43322	0.2
72.54029	0.1
75.58067	0.1
78.67522	0.2
81.03409	0.6
85.02893	0.5
89.03882	0.2
93.03420	0.3
95.01322	0.5
95.04961	0.2
97.02892	0.3
105.78188	0.2
107.04953	0.5
109.02863	0.3
111.04430	0.4
114.84074	0.2
115.97240	0.2
123.00781	3.9
125.05989	0.2
131.04922	0.3
135.04398	2.7
137.02336	1.1
137.05933	0.4
141.01831	0.5
147.04497	0.2
151.03897	12.7
151.04979	0.9
152.04250	1.4
153.04396	0.5
157.81117	0.1
163.03867	0.3
168.00500	0.4
169.01312	4.6
169.04944	0.7
173.05972	0.2
183.02893	0.4
186.01640	0.2
190.90701	0.1
208.71716	0.2
229.05095	0.3
242.97397	0.2
257.04373	1.0
261.04016	0.4
263.01828	0.3
279.41287	0.2
285.03891	2.1
286.04633	0.7
287.05066	0.7
288.05264	0.5
295.08148	0.8
301.07053	2.7
302.04019	0.2
302.07397	3.1
303.04941	100.0
304.05246	2.4
313.09079	0.4
367.08148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99044	0.1
53.03936	0.1
55.01907	0.1
55.83589	0.1
62.64434	0.1
65.03938	0.7
67.05501	0.4
68.99807	0.4
69.03430	0.3
71.04993	0.2
77.03963	0.2
79.05483	0.3
81.03409	1.1
82.03759	0.3
85.02901	0.5
91.05463	0.2
93.03413	0.3
95.01344	0.3
95.04975	0.4
97.02921	0.3
99.04432	0.2
105.04549	0.2
107.04945	3.5
108.02125	0.4
109.02892	0.5
111.04447	0.5
113.02396	0.2
119.04931	0.1
123.00795	1.6
123.01620	0.1
125.05979	0.4
127.03944	0.2
135.04398	1.3
137.02315	0.8
140.01059	0.3
141.01892	0.2
141.05475	0.3
142.05815	0.1
147.04401	0.1
151.00317	1.0
151.03903	20.2
151.05002	1.9
152.04236	3.8
152.05362	0.3
153.01778	0.2
153.04390	1.3
168.00546	1.3
169.01314	25.8
169.04927	1.4
170.01758	0.3
170.05272	0.2
170.31815	0.1
171.05531	0.2
175.46309	0.1
177.05656	0.1
183.02876	1.2
184.03215	0.5
185.03368	0.3
186.01561	0.6
187.01917	0.3
188.01974	0.2
204.07561	0.1
250.68471	0.1
257.04376	0.4
259.05463	0.2
260.05902	0.2
261.03873	0.3
268.03748	0.1
285.04080	0.7
286.04700	2.4
287.05042	2.3
288.05252	1.9
295.08118	1.4
296.08566	0.3
297.08585	0.3
299.63403	0.1
301.07056	8.7
302.07385	8.7
303.04919	100.0
303.07379	5.8
304.05267	2.9
313.09116	0.4
419.01559	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	615.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05458	0.7
67.05499	2.4
69.44144	3.8
71.74002	0.8
79.05489	1.8
81.03384	0.8
81.07054	2.3
87.04472	2.0
89.06034	6.7
91.05486	2.1
93.07027	2.1
95.04958	2.1
98.22729	1.0
103.05470	1.8
105.03390	1.2
105.04510	0.7
105.07016	13.1
105.07649	1.2
106.07307	1.2
106.56375	0.7
107.08578	1.2
109.10148	1.5
112.80914	0.7
119.08606	1.4
121.06495	2.7
121.10143	2.1
121.47747	0.7
127.01505	1.2
131.08571	1.6
133.08606	3.3
133.10188	1.6
145.10133	1.6
147.08092	1.2
149.09613	0.9
157.10158	1.2
159.11635	0.9
173.13211	1.1
183.06287	1.2
187.56308	0.7
220.72649	0.7
223.14626	0.9
245.20865	0.7
395.18204	5.6
441.51828	0.8
455.20364	12.6
555.25616	4.4
560.81018	0.9
614.83362	2.2
615.27649	100.0
616.27899	6.5
620.62140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64840	1.4
56.05022	2.9
68.99787	21.2
69.03413	1.8
70.02953	5.2
70.06577	1.5
77.03947	1.9
79.05499	1.6
80.80501	1.3
81.03421	1.8
83.03737	1.9
84.04507	2.2
85.02908	1.9
91.05482	5.8
95.01333	1.6
95.04974	2.3
95.08585	1.7
96.04491	1.5
97.02873	2.4
98.22785	1.4
103.05463	29.9
105.07030	8.9
107.01296	3.2
107.04922	2.3
109.02872	3.0
109.50823	1.5
111.03184	26.9
112.03992	4.1
120.04447	1.6
123.00802	1.8
124.03937	6.7
126.01865	43.5
127.03913	2.6
131.04921	100.0
132.05276	5.0
136.03935	2.6
137.02307	1.7
138.01843	21.8
139.00307	2.7
139.02655	12.5
140.03448	4.0
147.04367	2.0
151.03918	4.1
152.03383	18.4
152.04472	2.0
155.03412	1.5
156.02901	97.8
157.03604	1.9
162.05486	3.0
163.07576	3.1
164.03441	6.9
165.01851	4.9
165.06976	1.7
166.99794	2.7
167.03368	2.6
168.00616	1.7
168.02933	6.5
169.01369	9.3
170.01753	2.2
173.06044	2.3
177.01761	2.9
177.07097	1.7
179.03375	3.4
180.02946	1.9
181.01329	2.2
182.04510	2.2
183.02837	1.8
185.00795	23.3
186.01402	1.8
187.79659	1.5
192.03105	2.1
193.01355	3.7
198.03925	2.4
205.01343	2.9
206.01599	2.9
206.04468	4.0
207.02853	5.4
214.08586	2.5
215.09383	1.7
223.02336	1.5
223.07513	2.5
224.05463	5.0
224.07321	2.8
225.03949	1.9
225.07787	4.3
226.08723	2.2
227.29390	1.5
228.05095	2.7
229.10909	2.4
238.08641	3.5
239.09421	4.3
240.05112	2.6
240.07809	4.6
242.08145	55.4
243.08859	33.0
244.09145	1.9
251.06929	5.1
255.06612	2.2
257.10416	17.5
258.06149	3.0
268.09894	3.3
270.07571	2.4
271.05975	21.1
272.09024	4.2
273.07681	3.1
278.07794	1.7
296.09323	2.1
303.04984	15.6
304.05298	15.3
309.07367	2.7
310.07736	3.7
311.08948	5.4
328.11807	10.5
329.10193	22.5
333.19949	1.5
344.11227	6.4
346.12851	3.8
347.95712	1.7
391.02945	1.7
444.12784	3.2
477.07742	3.0
494.10733	5.3
495.09216	5.2
512.11688	5.2
580.15308	2.3
581.13324	3.5
598.16772	16.0
599.15594	5.2
616.18060	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	616.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43679	0.5
54.01083	0.6
65.03957	1.1
68.99789	1.1
71.43443	0.7
86.09686	0.7
91.05476	29.3
91.09735	0.6
92.05817	0.9
95.04990	0.8
103.05459	6.6
105.03383	6.0
115.05451	3.1
117.06998	2.9
129.07004	4.3
131.04924	12.8
138.01837	1.1
139.05432	2.6
141.06979	6.1
145.06557	0.8
146.98296	0.7
157.06508	6.5
165.07010	2.6
167.04926	3.1
168.02957	3.4
169.06462	2.3
181.06493	2.2
185.05991	2.3
187.07571	1.1
193.06505	1.6
194.00842	4.0
194.90579	0.6
195.04395	3.4
197.05951	16.0
213.05452	8.7
214.05562	0.7
221.05960	12.3
223.03891	1.3
228.09375	2.1
231.04172	1.3
231.06509	27.5
239.08504	1.6
240.09261	1.5
241.04959	1.4
243.11700	0.8
249.05457	10.2
252.09300	8.2
253.10103	10.8
254.10818	1.4
255.11716	3.6
257.09583	2.8
263.08530	1.1
265.10104	2.2
269.09546	0.6
271.11151	3.5
272.09213	4.6
280.06064	0.6
280.08984	0.8
281.09601	44.0
282.10107	2.2
283.11139	2.0
284.08322	2.5
285.08932	1.2
292.08807	0.7
297.08838	1.3
298.07062	2.8
299.10596	4.6
301.12244	3.1
309.09131	6.0
317.11731	12.3
327.10138	100.0
328.10547	4.0
380.03293	0.7
513.14911	0.7
580.17310	0.9
615.37079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.22952	0.6
59.04993	0.7
60.39290	0.4
65.03924	0.4
68.99783	1.5
69.59403	2.2
91.05476	33.9
92.05820	0.7
95.04974	1.1
103.05460	12.8
103.06107	0.9
103.07579	0.5
105.03395	7.0
105.07033	2.5
111.82509	0.5
115.05431	3.5
117.07051	2.5
128.06219	1.0
129.06993	5.5
131.04924	27.7
132.05307	0.6
138.01848	1.5
139.00291	0.5
139.05423	2.0
140.03410	1.0
141.06982	6.5
145.06462	0.5
149.44423	0.5
153.01817	0.8
157.06458	6.8
165.07033	2.9
166.01411	1.1
167.04926	3.2
168.02933	4.9
169.06500	2.1
171.04413	0.9
173.06062	0.6
178.01346	1.5
181.06474	1.4
185.05946	3.2
186.05487	1.6
187.07527	1.0
193.06465	1.4
194.00839	3.4
195.04370	3.1
197.05952	16.8
198.06293	0.9
213.05444	10.8
215.06960	3.3
221.05968	12.4
223.03761	0.8
228.07222	0.5
228.09337	2.1
231.06516	31.4
232.06773	0.7
239.08583	1.9
240.09274	1.9
241.04985	1.9
241.10036	0.9
249.05434	10.8
250.05682	0.6
252.09299	10.6
253.10109	12.1
254.10829	1.6
255.08049	0.6
255.11678	3.8
256.08817	0.6
257.09552	2.8
263.08603	1.2
265.10123	3.4
268.08868	1.0
271.11139	4.3
272.09122	4.3
281.09586	47.7
282.10172	2.6
283.11212	2.3
284.08237	1.6
285.09146	0.7
297.09076	1.7
298.07022	3.5
299.10645	4.4
301.12140	3.5
308.08188	0.8
309.09137	4.6
317.11716	13.2
327.10135	100.0
328.10406	4.1
343.29099	0.6
400.11990	0.8
466.13058	0.5
494.12170	1.5
580.17413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
51.02382	0.9
53.03948	1.4
55.05498	1.0
59.04989	1.4
67.05494	0.7
69.03424	0.5
69.07067	1.4
69.14051	1.4
69.81660	0.3
73.06577	0.3
77.03918	0.6
78.03457	1.8
78.86015	0.3
79.05492	0.6
80.05019	6.3
81.03416	0.9
81.07040	0.8
83.04952	0.3
83.08611	0.8
87.04462	1.0
89.06023	5.2
91.05492	1.1
93.07035	0.9
95.04961	5.6
95.08591	0.6
96.04485	5.6
96.36776	0.3
97.10142	0.7
105.03387	41.2
105.04525	2.0
105.07000	1.5
106.02923	4.7
106.03648	0.4
107.05001	0.4
107.08588	0.9
109.06532	0.6
110.82259	0.3
111.11694	0.9
117.07050	0.3
119.08566	2.2
121.06434	0.3
121.10155	0.8
123.08039	0.3
124.03946	100.0
125.04253	1.3
125.05917	0.4
127.03882	0.5
128.06244	0.3
129.07025	0.5
131.08553	1.4
133.06461	0.4
133.08614	2.7
133.10104	0.6
135.08040	0.4
140.03360	0.4
141.07008	0.4
142.07742	0.8
143.08507	1.2
145.10112	1.3
155.08505	0.9
156.09302	0.6
157.10083	1.8
159.08073	0.5
159.11681	0.5
161.09622	0.5
165.06917	0.6
166.07877	0.3
167.08615	0.4
167.10545	0.7
169.10158	1.1
170.10884	2.8
171.11681	2.0
173.09570	0.6
173.13196	0.4
177.11195	0.9
179.08493	0.7
181.10074	1.3
182.10860	0.3
183.11623	0.5
184.07562	0.6
184.12344	0.4
185.13231	4.6
187.11252	0.4
192.09377	0.4
193.10083	1.2
194.10750	0.5
195.11703	1.0
196.12355	0.5
197.13252	0.5
199.11159	1.2
201.12732	0.5
205.10172	0.5
207.11650	0.9
208.12404	0.8
209.13214	1.3
211.11092	0.4
213.12727	1.3
214.13499	0.9
214.15459	0.4
217.10123	0.5
221.13388	0.6
223.14821	1.5
227.14224	0.5
228.06569	0.9
232.12514	0.5
234.13872	0.4
236.11749	0.3
237.16147	0.4
240.89960	0.4
247.14790	1.2
251.10698	0.4
251.14265	1.6
253.12239	0.4
255.13786	0.4
260.11774	0.4
265.15805	0.9
269.15292	1.8
275.14105	0.5
283.16815	0.6
293.15320	2.8
311.16376	6.0
324.16534	0.4
353.17264	1.0
365.00650	0.3
434.19675	0.4
481.57208	0.3
556.23071	1.2
615.39465	0.4
616.25262	3.1
616.40411	0.8
617.24731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15654	2.0
55.16957	1.9
69.03425	4.2
70.06595	4.8
70.74366	2.5
70.74686	1.8
72.08157	2.4
79.05485	9.9
81.03416	9.2
84.04490	3.4
84.08130	4.4
85.02898	11.0
86.09700	4.4
91.05479	5.2
95.04943	3.1
97.02888	5.5
99.28606	1.9
103.05402	1.9
105.07023	2.7
107.04957	19.2
110.17809	2.1
115.05474	6.4
117.07015	6.9
123.04446	2.2
124.05231	2.4
127.03920	2.3
129.07021	3.8
131.08591	6.8
133.06471	2.5
137.05966	2.3
141.06992	4.1
144.05695	5.1
145.04936	2.1
145.06487	12.5
151.03911	2.6
152.05724	3.1
155.06096	3.1
156.05669	9.8
157.06476	4.1
159.08012	11.8
161.05975	4.3
162.07629	5.5
163.44215	2.0
167.07027	79.3
173.05991	22.6
175.07573	3.2
180.08713	3.5
187.07507	10.1
190.06245	14.8
191.08566	2.5
193.08643	2.8
196.76088	2.0
202.06224	3.7
203.06970	2.5
205.08572	35.8
207.06520	3.0
208.05254	2.0
217.06609	3.8
217.08574	35.2
217.10481	3.2
219.08049	6.5
219.10179	5.7
220.08945	2.3
229.08536	7.0
231.08072	2.9
231.10138	2.9
233.09590	3.0
234.06784	2.1
235.09511	3.3
236.08362	2.4
245.09831	2.0
247.07494	9.0
247.09692	14.5
248.08302	7.9
251.10663	4.5
254.05913	2.0
259.07446	3.0
261.09116	4.0
262.09937	4.2
263.06998	3.4
263.10748	7.7
264.07806	7.3
265.10770	10.8
267.06784	2.5
269.08005	5.4
271.09662	3.7
275.06915	5.1
276.07761	6.1
277.08649	4.4
279.10165	5.5
281.07932	2.6
282.08786	2.2
289.08508	2.8
290.09314	3.6
291.10175	13.2
292.07413	2.8
293.08038	6.0
299.08780	2.0
305.00351	2.0
307.09625	8.1
308.10471	6.5
311.12796	2.8
315.08636	34.5
319.09589	6.1
321.11139	2.8
323.12701	11.4
330.10941	49.0
331.11618	6.9
335.09320	2.0
336.09744	2.8
337.10617	7.2
339.12173	7.0
340.12772	2.6
343.11728	8.3
351.12170	18.3
352.13330	2.2
353.10049	7.6
356.12759	2.8
368.12683	11.0
369.13306	9.6
371.14816	11.5
383.14874	100.0
401.15909	56.9
436.17590	4.2
616.23639	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	616.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28486	1.1
53.03934	1.5
55.01873	2.0
65.03920	2.5
67.05503	2.2
69.03404	1.6
69.82197	2.6
70.06590	5.6
72.08140	1.6
75.04477	6.0
78.04685	1.8
79.05495	2.9
79.48319	1.2
81.03417	1.2
84.08130	2.0
85.02908	6.1
85.19794	1.4
86.09702	3.2
89.03909	1.8
91.05481	11.2
93.03410	11.1
93.07050	5.8
95.04967	4.9
96.83781	1.1
97.06528	2.3
103.05482	10.1
105.04540	2.1
105.07029	11.8
106.04167	28.1
107.04950	4.6
115.05404	1.7
118.04172	1.3
119.04940	2.5
121.06499	30.3
123.04459	1.7
125.05983	9.0
127.03927	1.2
131.04924	4.8
133.06502	11.2
134.03630	3.6
137.05988	5.0
138.06773	1.5
139.07541	2.7
140.09903	1.0
147.04521	1.2
148.05180	3.5
149.05980	49.6
150.06284	1.3
151.07536	2.9
151.73289	1.1
152.05656	1.5
153.05453	2.7
153.09102	11.0
161.05980	23.6
162.67162	1.2
163.07562	4.4
167.07072	4.6
177.05464	20.6
179.07188	1.6
181.08591	19.4
191.07011	21.2
193.08604	21.3
207.06560	1.9
209.08078	100.0
210.08525	2.2
239.09137	3.6
242.98079	1.5
327.96725	1.1
369.12943	1.6
387.14301	2.0
441.89563	1.3
616.76953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42839	2.2
62.91565	2.2
69.03410	3.3
69.85958	6.0
71.14650	2.6
79.05491	11.2
81.03401	3.7
85.02902	7.0
91.05492	5.7
95.04975	4.9
97.02884	6.9
104.76157	2.5
105.06992	4.3
107.04949	24.9
107.08590	4.2
109.10136	3.8
111.67365	2.2
117.07027	5.8
121.06503	3.1
123.04417	5.6
124.05216	4.1
128.06195	3.3
128.62901	2.4
129.07018	5.6
131.08554	8.7
133.06512	3.2
135.08128	2.8
141.06966	3.9
143.08563	3.1
144.05756	4.2
145.06471	11.4
149.05968	3.1
151.03867	3.6
152.05736	3.6
156.05698	9.8
157.06451	3.3
157.08807	2.4
159.08093	15.1
161.06033	3.9
167.07034	100.0
168.07338	2.9
173.05963	16.9
181.08597	11.4
186.06868	2.6
187.07544	8.7
190.06306	6.9
193.08563	5.2
199.07510	4.5
202.06216	4.8
204.07799	3.3
205.08531	17.7
215.06998	4.4
217.08594	34.3
219.08104	5.0
219.10217	7.6
220.08859	3.7
221.06244	2.6
229.08621	5.4
231.08054	4.4
231.10075	18.6
233.09680	3.5
235.07600	4.1
235.09697	3.5
247.07532	5.3
247.09727	12.0
248.08354	6.8
249.11279	7.0
251.10596	2.7
261.09106	6.0
263.10794	4.8
264.07864	5.2
265.10818	3.9
269.08081	5.7
275.07065	3.7
276.07849	4.7
279.10159	5.4
291.10129	5.1
292.07401	2.6
293.08078	4.6
300.79855	2.6
307.09631	7.6
308.10458	4.5
309.07379	2.7
315.08597	17.6
315.19638	3.9
319.09506	2.5
323.12643	5.8
330.11020	21.7
331.11880	5.6
333.20731	4.7
337.10812	5.2
339.12265	5.9
341.09970	2.7
351.12222	6.2
353.10156	4.1
368.12585	5.9
369.13165	3.8
371.14832	3.7
383.14841	62.8
384.14944	4.2
385.16510	20.3
401.15836	34.5
539.04626	2.6
546.52905	2.9
616.29236	6.6
626.64685	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	616.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30045	0.9
55.01867	4.1
58.75007	1.0
59.85798	0.9
61.02945	1.1
65.03942	3.4
67.05518	1.5
69.10291	7.0
70.06595	1.4
71.00247	0.9
75.04488	4.1
75.98150	0.9
77.03936	0.9
78.04718	3.4
79.05494	3.3
81.03454	1.0
85.02893	7.3
86.09703	1.2
89.03912	2.0
91.05481	14.3
91.05991	1.4
93.03407	10.8
93.07059	6.6
95.04959	7.6
97.02912	1.7
97.06541	2.3
98.22603	1.6
103.05470	9.1
105.04523	1.9
105.07021	16.2
106.04166	32.0
107.04982	1.8
109.73451	1.0
111.04465	1.9
115.05454	4.3
117.03364	1.7
118.04159	2.4
119.04966	2.8
121.06503	35.4
125.05968	7.3
131.04904	2.6
133.06477	15.1
134.03625	4.8
135.04419	1.6
137.05978	4.4
139.07532	2.3
145.02834	1.5
148.05202	2.9
149.05975	48.5
150.06340	1.3
151.07558	2.4
152.08347	1.3
153.05457	2.4
153.09093	13.8
161.05974	34.9
163.03935	1.0
163.07581	3.8
165.05533	1.3
166.06253	1.0
167.07051	1.9
177.05453	25.8
179.07112	1.0
181.08597	19.9
191.07019	11.7
193.08580	37.6
209.08086	100.0
210.08466	2.2
239.09193	1.2
315.04968	1.3
319.81937	1.0
369.13538	1.3
371.12265	1.4
387.14249	2.3
415.83548	1.1
585.39844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
61.02906	1.7
64.04641	1.9
69.03431	3.4
70.06568	4.0
72.08153	3.7
79.00423	1.9
79.05481	9.6
81.03410	13.2
84.08113	3.3
85.02905	7.1
86.09692	6.2
91.05478	4.9
95.04967	3.9
98.04320	1.7
98.25389	1.7
103.05518	2.0
107.04945	20.5
107.72099	1.7
115.05450	7.4
116.06271	2.5
117.07001	18.8
123.04455	6.3
124.05212	5.7
128.06187	4.0
129.07002	5.1
129.10243	2.4
131.04875	2.0
131.08575	6.4
137.05968	4.4
141.06993	5.8
144.05701	4.2
145.06482	36.7
145.07579	2.9
151.03915	3.0
152.04617	2.9
152.05699	8.0
155.06038	6.3
156.05690	13.2
156.07602	2.2
157.06482	2.7
158.07294	1.7
159.08034	12.6
161.05994	5.8
162.07564	2.0
167.07036	96.4
169.06412	2.9
173.05974	60.2
175.07610	2.4
180.08667	1.8
181.05028	2.5
183.06616	2.6
184.05182	2.8
186.06825	2.4
187.07539	16.1
190.06236	38.8
190.07883	3.1
191.07007	3.5
193.08517	2.5
195.06538	3.1
202.06229	6.8
203.07013	4.8
205.08585	80.4
207.06520	5.0
208.05209	5.3
211.07503	2.5
217.08585	57.3
218.07237	4.4
219.08014	8.0
219.10143	5.3
220.08893	2.6
221.05943	2.0
223.09608	2.0
229.08607	4.8
231.07997	7.1
231.10033	2.8
233.09537	4.6
235.09578	15.6
236.04585	2.9
236.08331	3.5
247.07474	8.0
247.09706	14.8
248.08188	8.4
249.08859	3.7
250.06107	2.2
250.10164	2.0
251.10811	2.5
254.05785	3.9
259.07666	3.5
260.08167	2.3
261.09045	4.5
262.09842	2.2
263.06909	3.2
263.10678	6.9
264.07816	7.2
265.08960	2.1
265.10840	18.6
269.08145	11.0
271.09714	6.7
275.07184	4.5
276.07767	5.5
277.08508	4.8
279.10114	9.8
282.08868	3.1
289.08688	2.3
290.09448	5.3
291.10208	12.4
292.07382	2.7
293.08176	6.8
296.10297	2.5
299.09216	3.4
304.07266	2.2
307.09680	6.4
308.10410	7.0
311.12796	2.1
315.08612	38.4
319.09653	3.4
321.07635	4.1
321.11124	4.3
323.12549	8.5
330.10965	65.4
331.11664	14.5
336.09842	6.0
337.10626	6.7
338.07751	3.1
339.12299	7.8
343.11716	10.5
351.12289	21.7
352.12817	2.6
353.10229	6.5
368.12479	10.2
369.13507	10.2
371.14810	11.4
383.14883	100.0
384.15155	4.2
401.15942	60.9
436.17419	5.8
596.22937	2.0
599.13037	3.0
616.24188	17.2
617.14850	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	616.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.05506	2.9
67.05495	6.8
69.03419	3.7
69.07061	7.1
70.06580	2.4
71.43122	1.8
79.05473	4.2
81.03413	1.8
81.07052	6.9
83.08608	2.1
85.02905	6.1
85.06556	2.1
91.05476	6.4
93.07031	8.5
95.04974	2.5
95.08606	19.5
97.02890	2.9
99.04445	3.3
105.01854	3.1
105.07027	12.8
107.08575	13.9
108.77075	1.9
109.02858	2.1
109.10159	8.8
111.04438	2.1
117.07013	3.4
119.08570	43.0
121.10172	11.3
123.08096	3.5
123.11713	5.1
127.03922	11.7
129.07060	2.2
131.08560	5.4
133.10130	13.0
135.08072	6.9
135.11667	2.4
137.09596	3.1
143.08542	4.8
144.09331	2.3
145.10121	51.5
147.08060	2.9
147.11678	7.1
149.09595	3.1
151.11147	2.3
156.09319	4.2
157.10104	6.8
157.24307	1.7
159.11688	20.4
161.09569	3.4
161.13275	8.8
163.11169	4.0
163.14871	9.3
169.10153	4.9
170.10912	2.4
171.11682	6.0
177.16356	4.4
183.10207	2.5
183.11734	5.5
185.13228	7.6
186.24164	2.1
187.14809	100.0
188.15273	2.7
189.16391	21.3
191.07069	2.1
193.10060	3.2
195.11739	4.4
196.12456	2.4
197.13249	3.8
199.11205	3.6
199.14793	6.0
205.15855	21.6
209.13321	4.7
211.14841	1.9
215.10736	2.0
231.04956	4.4
237.16484	2.7
241.12091	2.0
241.19647	2.0
251.17957	4.3
255.13475	1.8
269.19043	3.6
279.17496	4.0
297.18515	15.4
315.19540	33.6
333.20578	58.1
550.11963	1.9
553.20367	1.9
617.18341	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	616.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27243	0.6
52.46859	0.8
53.03935	1.5
55.01864	1.1
55.05513	1.5
57.03426	1.2
57.48819	0.6
65.03915	1.0
67.05489	2.9
69.03429	1.4
69.07050	2.0
70.06583	5.2
74.55063	0.8
78.04706	1.2
79.05479	4.9
81.03403	2.6
81.07050	3.5
83.04975	1.2
83.08595	1.9
84.04507	0.7
84.44525	0.8
85.02901	2.7
86.09686	3.7
87.04433	0.8
91.05462	5.1
93.07035	5.6
95.04951	3.0
95.08611	5.4
97.02863	2.3
105.01864	1.5
105.07014	6.6
106.04137	0.7
107.04978	6.2
107.08577	7.9
109.06499	2.1
109.10151	3.6
111.04443	4.2
111.08085	0.8
111.91529	0.9
115.05420	0.8
117.07018	2.0
119.04881	1.3
119.08572	8.5
121.06476	2.4
121.10123	4.7
123.04416	4.1
123.08051	2.0
124.05164	2.7
125.05974	1.7
126.01019	0.9
127.03897	1.6
128.06253	0.7
129.06993	2.5
129.10193	1.0
130.07761	0.8
131.08572	8.3
133.06499	1.2
133.10144	4.1
135.08017	2.6
135.11673	1.6
136.06192	1.1
137.05991	1.4
139.07520	2.0
139.08563	0.6
141.06995	0.8
142.07715	0.9
143.08568	3.6
144.05719	0.9
144.09322	1.2
145.06467	1.4
145.10117	8.6
147.08041	1.7
147.11671	2.5
149.06012	1.4
149.09590	2.3
151.03864	0.9
152.04628	0.8
152.05669	8.1
155.08543	1.5
156.05605	1.0
156.09377	0.9
157.10123	5.2
159.08047	4.9
159.11682	6.8
161.05965	1.5
161.09639	1.3
161.13167	1.2
165.06952	0.9
165.09169	0.9
166.16663	0.8
167.07025	100.0
168.07385	1.8
169.10101	3.3
171.11700	4.2
173.06004	0.8
173.09625	1.5
173.13245	1.9
183.08124	0.8
183.11703	1.8
185.09599	1.5
185.13239	1.9
187.07545	5.1
187.11154	2.8
187.14774	2.5
189.12834	0.8
191.10667	1.1
195.11667	2.3
197.13246	2.3
199.11279	1.6
199.14836	2.7
201.12689	0.9
203.14291	1.2
205.08655	1.4
209.13211	1.9
211.11121	0.9
211.14719	1.5
213.12752	1.1
215.10725	2.2
215.14191	0.8
217.08585	4.5
217.12167	1.1
219.08151	0.8
219.10187	2.5
225.16486	0.8
227.17932	1.7
231.08148	1.1
233.11691	2.1
234.28792	0.8
235.09695	1.3
235.14731	0.8
237.16362	1.9
241.12233	0.9
243.13773	1.1
247.07330	0.9
247.09633	10.1
248.08157	0.8
251.12720	1.9
251.17870	1.3
255.17450	1.5
263.10730	1.0
265.10791	4.5
269.18985	2.3
279.17227	1.2
284.11719	0.9
287.19992	4.5
291.10172	1.8
297.18475	11.3
315.19556	13.4
323.12863	1.7
333.20572	10.1
351.12335	2.8
357.20438	1.7
371.14841	4.0
383.14856	7.8
401.15887	10.0
419.17032	1.6
423.21585	5.9
436.21683	1.7
441.22534	1.9
454.22867	1.5
527.22345	1.0
545.23737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81033	2.0
53.03940	2.6
55.05502	6.6
57.07056	3.3
62.74949	1.7
67.05500	13.7
69.03436	6.1
69.07066	9.7
69.57287	8.0
73.02907	2.2
79.05489	8.5
81.03416	4.0
81.07074	13.9
83.04987	2.6
83.08595	4.8
85.02885	7.7
87.00811	3.6
91.05475	13.8
93.07053	16.4
95.04951	4.7
95.08608	25.9
97.02882	8.3
97.06529	4.2
98.23478	4.0
99.04465	2.4
103.05464	3.1
104.30849	2.0
105.01858	5.7
105.07027	22.3
107.04951	3.0
107.08590	15.2
109.02873	4.1
109.06548	2.9
109.10157	14.8
111.04460	6.7
111.08044	2.7
117.07046	9.9
119.04909	2.9
119.08573	84.9
121.06509	5.8
121.10142	9.9
123.04411	2.5
123.08037	3.5
123.11678	10.7
127.03919	9.1
128.06171	3.2
129.06984	5.1
131.08554	13.9
133.10127	19.9
135.08031	13.7
135.11722	3.1
137.05975	4.0
137.09596	5.1
141.05542	4.6
141.06763	2.1
142.07761	4.3
143.08551	13.5
144.09282	4.7
145.06459	2.2
145.10121	29.8
147.04329	2.2
147.08041	7.7
147.11688	9.1
149.05997	4.0
149.09586	5.5
151.11169	3.1
153.06958	3.5
155.07149	2.9
155.08598	7.4
156.09291	5.6
157.10115	20.3
158.10872	2.3
159.08012	4.7
159.11681	50.8
161.09618	4.2
161.13240	6.2
163.07510	5.5
163.11101	3.2
165.06960	3.3
165.09109	5.9
167.08588	4.0
169.10129	12.8
170.10828	3.6
171.08020	2.5
171.11653	18.9
173.09602	6.6
173.13310	12.1
175.11125	2.3
177.09149	2.8
179.08562	3.5
180.09363	3.1
181.04964	3.3
181.10123	7.8
182.10925	2.2
183.11626	14.1
185.09590	9.1
185.13211	12.5
187.11194	6.0
187.14813	15.7
189.09070	3.0
189.12645	2.4
189.16393	7.0
191.10606	4.5
193.10104	2.8
194.10754	3.2
195.08066	2.9
195.11678	20.3
196.12531	2.8
197.09598	5.0
197.13243	16.3
199.11165	8.0
199.14798	10.2
201.09048	2.8
201.12650	2.5
201.16364	10.4
203.10652	4.5
205.15865	5.3
207.11752	3.2
209.09639	7.4
209.13220	18.1
211.14792	8.1
213.09215	3.0
213.12737	6.1
213.16377	5.1
215.10712	5.6
217.12260	5.7
221.13306	4.0
222.14008	2.8
223.11165	6.9
223.14873	4.4
225.12793	3.3
225.16492	3.1
227.10651	9.5
227.17880	6.9
231.04913	3.5
235.14862	4.6
236.15558	2.2
237.12746	10.4
237.16365	8.6
239.14311	3.9
241.12271	9.9
241.19525	6.1
251.17961	32.9
253.15858	2.9
253.19551	4.2
255.13742	10.3
255.17412	7.2
259.13290	4.5
261.16443	3.9
267.13834	2.2
269.19025	21.7
270.19263	2.3
271.17322	2.4
272.14246	2.0
273.18466	6.3
275.35239	2.2
279.17392	26.4
287.20074	13.0
297.18472	100.0
298.18753	3.9
315.19501	79.0
316.19843	3.0
333.16623	5.2
333.20581	80.9
334.20898	2.2
343.37671	2.0
350.70132	1.9
434.91495	2.2
496.55386	2.2
563.24921	16.1
640.09174	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	616.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.9
55.01868	11.3
55.05494	5.9
57.03422	9.8
61.02918	4.5
66.40440	2.1
67.05491	9.0
67.94556	1.9
68.99773	4.8
69.03424	40.1
69.07058	5.3
69.09698	5.0
69.10111	10.5
70.63233	1.9
71.04984	7.2
73.02905	9.7
79.05477	13.5
81.03409	42.9
81.07048	19.7
83.01308	2.6
83.04988	2.8
83.08614	3.5
85.02898	100.0
87.00828	40.7
87.04433	2.6
89.06075	2.1
91.03955	2.3
91.05470	13.2
93.07045	22.4
95.04962	4.3
95.08595	24.5
97.02876	41.7
97.06493	2.5
98.03246	3.2
99.04436	24.6
101.02368	2.2
105.01861	31.0
105.07019	33.2
107.04935	2.8
107.08573	29.2
109.02869	58.5
109.10149	17.9
111.04446	5.0
117.01804	5.0
117.07030	3.6
119.08556	20.1
121.06448	3.0
121.10135	21.9
123.08022	2.0
123.11703	2.9
124.59347	1.9
125.05961	3.2
127.03902	85.0
129.01839	5.0
131.08588	14.6
133.10118	14.9
135.07948	2.1
135.11691	11.6
138.05515	3.0
139.07516	5.4
143.08580	6.2
145.04945	30.9
145.10106	18.7
147.02852	4.6
147.08067	3.5
147.11690	13.4
149.13246	16.0
155.07379	2.9
155.08559	19.3
157.10101	9.0
159.02898	25.5
159.11667	9.0
161.09604	3.8
161.13292	5.2
163.07504	4.6
169.10081	8.9
171.10269	3.5
171.11684	7.5
173.13275	7.4
175.14812	5.9
177.03839	2.2
183.11678	5.8
185.13263	6.1
189.16377	7.2
191.10643	4.8
195.11653	4.8
199.11101	2.8
199.14722	3.6
203.10580	4.8
205.12140	4.8
209.13170	3.6
211.14778	3.5
213.03853	12.3
213.12604	2.8
217.12209	5.4
219.13762	2.5
223.13174	3.1
225.16386	20.1
227.17891	5.0
231.04944	37.9
231.13837	5.2
237.82188	2.5
239.17915	5.1
241.19485	9.6
245.15376	2.5
251.17917	11.4
254.68646	2.0
257.04660	2.8
259.20560	4.9
269.18988	28.9
285.18399	4.3
287.20001	84.7
288.20490	2.8
303.19415	3.0
305.21112	20.1
315.19565	30.1
333.20569	66.5
351.24377	2.3
377.94528	2.4
395.21848	4.0
423.21475	2.9
517.24164	6.3
535.25537	12.8
553.26123	4.8
563.24762	6.7
581.08783	2.3
581.25714	7.8
599.26855	4.7
608.04309	3.2
617.09924	3.3
618.15607	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	617.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52816	0.3
66.38964	0.3
75.04803	0.3
77.15503	0.3
90.32598	0.3
167.07143	0.5
168.07532	0.3
195.05127	0.7
215.14899	0.3
291.06885	0.3
301.08997	2.9
319.09714	0.4
331.10782	0.3
339.10400	3.5
357.10367	0.4
384.15387	0.6
390.88867	0.4
485.16379	3.6
617.20459	100.0
618.20886	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	617.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
68.51537	0.5
69.03419	1.9
69.99179	1.0
70.06565	0.7
71.56435	0.6
79.05478	0.6
81.03423	1.1
82.06559	0.5
83.04954	0.6
84.04507	1.2
84.08169	0.4
85.02927	0.7
91.05463	0.7
93.07024	1.0
96.04496	0.8
104.61971	0.5
105.07021	1.0
107.04974	0.5
107.48609	0.6
109.02840	0.7
110.06026	1.0
110.42583	0.6
112.02223	0.6
116.20884	0.4
119.04931	0.6
119.08605	1.0
121.06432	0.5
124.03956	0.8
127.03944	0.6
133.10184	0.7
136.03954	0.6
137.02211	0.5
140.01671	0.9
141.63730	0.6
142.03185	0.7
143.08603	0.7
145.10121	1.1
147.04391	1.4
147.27098	0.5
154.03218	1.6
157.10098	1.0
173.13292	0.5
175.03877	1.3
177.05484	0.8
182.02791	0.7
183.11650	0.6
187.11212	1.0
201.12843	0.5
207.06500	1.0
209.13240	0.7
226.02032	0.5
249.10904	0.9
257.05978	0.6
271.05997	0.8
273.14825	2.0
389.65222	0.7
411.16202	1.5
434.17642	0.7
454.23172	0.7
470.19775	1.4
617.21960	100.0
618.22125	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	617.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
53.83630	0.2
55.05491	0.3
55.84119	0.2
56.83107	0.2
57.03437	0.3
59.04996	4.7
59.33701	0.2
60.05339	0.2
60.05638	0.6
61.95637	0.2
62.06079	0.4
63.91271	0.2
67.05486	0.4
69.07057	0.5
69.15595	1.3
69.15990	0.5
70.04073	2.9
70.71150	0.2
75.00827	0.2
78.03446	0.9
79.05476	0.6
80.05012	4.8
81.07034	0.6
82.29166	0.3
82.29719	0.3
83.08634	0.3
87.04457	0.4
89.06024	0.6
91.05479	0.7
93.07030	0.5
95.04949	1.4
95.08598	0.3
96.04487	4.1
97.10122	0.2
105.07018	1.1
106.02898	0.9
107.08577	0.4
109.06507	0.4
109.10172	0.3
115.07562	0.3
117.09136	1.4
119.08559	1.3
121.06480	0.4
124.03942	100.0
125.04286	1.4
131.08546	0.4
133.08556	0.4
133.10117	0.5
141.07019	0.2
142.07730	0.2
143.08568	0.3
145.10077	1.2
149.09630	0.4
153.05516	0.3
155.08502	0.4
155.54210	0.2
156.09360	0.3
157.10147	0.8
159.11646	0.6
160.52295	0.2
167.10669	0.3
169.10144	0.6
170.10884	0.3
171.11623	0.3
173.09613	0.3
173.13225	0.3
175.13277	0.7
179.08522	0.5
181.08582	0.7
181.10092	0.5
182.10847	0.2
183.11717	0.3
193.10112	0.7
194.10921	0.6
195.11594	0.3
197.13387	0.4
207.11697	0.6
208.12465	0.3
209.13225	1.6
211.14774	0.2
220.12460	0.3
221.13335	0.4
221.15370	0.2
223.14838	1.0
233.13197	0.3
247.14687	0.3
251.14230	0.6
269.15445	0.3
299.52618	0.3
308.15121	1.8
311.16217	1.2
426.99152	0.3
434.19702	0.6
452.20789	0.7
459.22543	0.4
494.21707	14.2
495.21994	1.0
575.23749	0.6
617.24817	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43212	1.1
67.05533	1.5
69.03420	1.4
73.02911	3.8
81.03444	1.6
87.04466	2.3
89.06026	7.8
97.06516	1.3
98.41283	1.1
99.03251	1.5
121.02840	3.4
121.04580	2.2
121.06493	1.2
127.01557	5.1
133.08585	4.6
133.10115	1.7
139.01523	1.7
147.04402	3.8
148.07585	1.7
153.03136	5.6
155.09830	1.3
159.11673	1.4
165.07201	1.3
177.05489	2.2
177.11218	1.7
195.13834	1.2
221.13858	1.4
286.04761	2.1
289.05304	7.4
351.18497	1.9
351.28571	2.0
369.29715	1.5
390.03140	1.4
441.28513	5.8
560.85211	1.5
573.26208	7.9
573.36047	3.2
599.33588	1.8
610.24628	1.3
617.26001	100.0
617.34863	17.5
618.25598	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	617.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.04811	0.4
55.05502	0.6
57.07061	0.8
67.05489	1.7
69.03423	0.9
69.07066	0.6
70.04010	1.5
78.03445	0.7
79.05479	1.6
80.05011	4.5
81.07049	2.2
83.04987	0.6
85.06550	0.4
89.06024	1.3
91.05476	1.7
93.07030	2.4
95.04961	1.8
95.08033	0.4
95.08592	1.5
96.04487	3.6
97.06519	0.6
105.03398	1.1
105.07025	5.7
107.08585	2.1
109.06516	0.7
109.10143	0.8
117.07041	0.7
119.08589	2.9
121.06520	0.8
121.10149	2.9
123.04440	0.5
123.08069	1.5
124.03945	100.0
125.04288	1.2
125.05975	0.8
131.08546	1.6
133.06583	0.5
133.08600	0.8
133.10135	2.4
135.08022	0.7
135.11674	0.4
137.09589	0.6
141.05414	0.9
142.07765	0.9
143.08511	1.0
145.10110	1.9
147.08057	0.8
147.11702	0.8
149.09637	1.0
151.07536	1.8
155.08527	0.7
156.09413	0.5
157.10103	1.3
158.10855	0.4
159.11690	1.7
161.09645	0.7
163.11180	1.1
165.09082	1.2
167.10640	1.3
169.10101	1.1
171.11728	1.4
173.13268	0.9
181.10179	0.7
181.12250	0.7
183.11656	1.0
185.13289	1.1
187.14934	0.5
189.12793	0.6
195.11682	0.9
197.13284	1.2
203.14345	0.8
207.11827	0.5
207.13799	1.0
209.13324	0.8
220.12454	0.4
221.13510	0.6
221.15297	2.5
233.15430	0.9
235.14810	0.8
295.17123	0.5
299.20236	0.5
313.17975	4.6
319.99878	0.4
392.34650	0.4
458.19281	1.1
484.91510	0.5
576.26251	1.1
599.40887	0.9
606.29242	0.5
617.23004	4.0
617.42932	2.6
618.26727	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	617.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03937	1.0
54.51041	0.3
55.05504	3.9
57.07061	1.7
67.05497	5.6
69.07065	2.8
71.08620	0.9
71.43804	0.4
77.03928	0.7
78.03444	1.5
79.05490	7.0
80.05006	4.8
81.07052	12.6
83.04979	2.8
83.08618	1.3
85.10152	0.7
87.04446	1.1
89.06023	5.5
91.05476	9.8
91.06047	0.5
93.07039	10.7
95.04966	2.9
95.08595	8.1
96.04486	3.9
97.10162	0.5
97.13856	0.4
103.05472	0.8
105.03383	2.3
105.04515	1.4
105.07021	18.4
106.02906	4.8
107.08588	9.1
109.06503	1.4
109.10134	4.1
116.06184	0.5
117.07013	3.1
117.09182	0.5
119.08572	10.7
121.06513	0.7
121.10144	5.9
121.37345	0.3
123.08059	1.0
123.11700	1.3
124.03943	100.0
125.04276	1.1
128.06213	0.7
129.07007	1.4
130.07780	0.8
131.08565	6.1
133.08633	2.2
133.10123	7.9
135.08032	0.7
135.11667	3.1
142.07784	1.1
143.08572	2.9
143.67805	0.4
144.09390	0.6
145.10106	9.2
147.08015	0.9
147.11681	4.6
149.13232	1.4
151.07570	0.6
151.11127	0.4
155.08539	1.3
156.09367	0.8
157.10141	3.6
159.11674	5.4
161.13213	3.0
163.11267	0.5
165.09117	0.8
169.10136	1.5
170.10878	0.5
171.11662	2.5
173.09639	0.5
173.13255	3.3
175.11351	0.4
175.14827	1.5
177.11229	1.0
178.60054	0.5
179.08652	0.4
181.10109	0.9
181.12236	0.7
183.11658	1.4
185.13248	2.2
187.14816	3.1
189.16393	0.6
195.11642	0.9
197.13220	1.3
199.14792	2.1
201.16382	2.5
203.14310	0.7
209.13274	0.7
211.14754	0.8
213.16301	1.9
221.15384	1.0
223.14854	0.6
225.12663	0.6
225.16472	0.7
227.17990	0.7
239.17986	0.4
253.19557	0.5
255.21085	0.6
257.55008	0.4
269.22690	0.4
279.20963	0.5
313.17950	1.0
325.00290	0.4
436.21463	0.9
476.31573	0.5
546.98669	0.4
617.27753	0.5
617.40698	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	617.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
51.02380	0.9
53.03941	0.9
55.01849	0.3
55.05506	2.6
57.07063	0.9
57.28862	0.2
59.05002	0.4
65.03931	0.8
67.05502	4.6
67.55977	0.2
69.03422	0.7
69.07064	2.1
69.30064	0.8
69.30457	0.5
71.05020	0.4
73.02896	0.7
73.06538	0.3
77.03903	0.7
78.03450	10.6
79.04230	0.3
79.05489	4.7
80.04545	0.3
80.05018	4.9
81.03412	2.3
81.07052	7.1
82.20332	0.2
82.49045	0.2
83.04975	2.5
83.08626	0.6
85.02887	0.3
85.06518	0.4
87.04462	2.7
89.06023	4.0
90.06351	0.4
91.05475	8.6
93.07037	7.4
95.04966	6.8
95.08605	5.4
96.04492	6.6
97.02886	0.5
97.06509	1.0
103.05454	1.0
105.03391	20.3
105.04424	2.0
105.07024	20.1
106.02909	27.1
106.07352	1.0
107.04933	0.4
107.07079	0.3
107.08583	6.5
109.02912	0.3
109.06516	1.6
109.10139	2.6
111.04435	3.0
115.05455	0.7
117.07012	2.5
119.04936	0.4
119.06061	0.6
119.08572	10.5
121.06493	2.6
121.10136	5.7
123.08065	1.9
123.11698	1.0
124.03944	100.0
125.04276	0.6
125.06001	0.6
127.01555	1.1
127.03888	2.0
128.06194	1.7
129.06999	2.5
130.07773	0.9
131.07050	0.5
131.08566	6.7
133.06490	1.2
133.07635	0.3
133.08604	1.9
133.10118	7.7
134.07277	0.9
134.08870	0.3
135.08034	1.6
135.11655	1.7
137.09616	0.6
139.07558	0.4
141.07004	1.4
142.07771	2.0
143.08554	5.0
144.09320	1.2
145.06422	0.6
145.10117	10.1
146.10826	0.3
147.08063	3.0
147.11681	5.6
149.09618	1.6
149.13225	0.6
151.07555	1.5
153.03154	0.3
153.07016	0.4
154.07748	0.4
155.06026	0.3
155.08560	2.6
156.09348	1.9
157.10127	6.1
158.10956	1.3
159.08049	1.1
159.11693	6.6
160.08755	0.5
160.12515	0.3
161.09624	1.5
161.13245	1.7
163.07553	0.5
163.11189	1.0
165.05647	0.3
165.06992	0.9
165.09070	1.5
166.05043	0.5
166.07762	0.3
167.08595	1.3
167.10680	0.7
168.09373	1.2
169.10097	3.6
169.11221	0.3
170.10921	2.3
171.08061	0.7
171.11684	5.4
172.08817	0.4
172.12457	0.9
173.09610	1.8
173.13239	6.0
173.14735	0.3
174.10408	0.5
175.07536	0.3
175.11186	1.3
175.14825	1.4
177.09195	0.3
177.11241	0.6
179.08543	1.2
180.09363	0.6
180.28392	0.3
181.10135	1.9
181.12247	0.6
182.10933	1.6
183.08083	0.5
183.11673	6.4
184.12387	0.4
185.09592	0.8
185.13243	3.3
186.10367	0.3
187.11212	2.1
187.14799	6.6
188.11954	1.1
188.15602	0.5
189.09129	0.6
189.12717	0.6
191.08598	0.4
191.14272	0.4
192.09346	1.0
193.08601	0.5
193.10153	2.1
194.10841	0.8
195.11667	2.3
196.12502	1.2
197.09612	1.0
197.11501	0.5
197.13231	5.0
198.10315	0.4
198.14018	2.8
199.11214	0.8
199.14743	1.6
200.11929	0.4
201.09048	1.0
201.11130	0.2
201.12802	1.8
201.16370	0.8
201.99292	0.3
203.10703	0.5
203.14294	5.1
205.10153	0.6
205.15836	0.9
206.10909	0.6
207.11702	2.7
207.13631	0.6
208.12524	0.6
209.09671	0.4
209.13284	2.6
209.15273	0.4
210.14012	0.6
211.11194	0.9
211.14781	2.4
213.12779	0.5
213.16414	0.8
215.10876	1.3
215.14322	2.8
216.15158	1.2
217.12259	0.4
217.15912	0.5
219.11761	1.1
220.12363	1.2
221.13271	1.4
221.15372	2.8
223.11125	0.5
223.14684	1.4
225.12740	1.1
225.16339	2.0
227.10583	0.3
227.18021	0.4
228.06519	0.7
229.12221	0.6
231.10146	0.9
233.09599	0.3
233.13225	0.6
233.15390	0.5
234.13991	1.0
235.11168	0.4
235.14847	2.0
236.15611	0.4
237.12776	0.4
237.16417	0.6
238.13550	0.5
239.10606	0.8
239.14334	1.0
239.17940	1.5
241.12315	0.4
241.15463	0.3
241.19460	0.4
249.16411	3.0
251.14207	0.5
251.17953	0.9
253.12267	1.1
253.15915	1.5
255.13795	0.6
257.15436	0.5
259.14792	0.5
262.13644	0.6
267.14075	0.5
267.17441	2.4
269.15283	0.4
269.18869	0.3
271.17001	1.8
277.15909	1.6
280.14783	0.3
285.15320	0.4
285.18387	1.9
286.19278	0.7
295.16913	10.4
310.17978	0.6
313.17963	12.5
331.18997	0.9
355.19110	0.6
418.20062	0.9
436.21286	0.7
478.22729	0.4
496.23065	0.7
558.24933	1.6
599.41034	0.6
617.25952	0.7
617.42639	1.9
618.26862	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	618.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23524	1.7
59.74753	1.6
66.93407	1.4
68.99802	3.5
70.86581	1.6
91.05471	20.1
95.04966	1.9
103.05469	46.3
103.15936	1.7
105.03384	4.2
110.02408	3.9
115.05479	9.8
117.07001	2.8
129.06978	7.4
131.04924	100.0
132.05276	2.1
138.01836	5.3
141.06972	6.9
143.04962	5.0
145.06500	3.1
153.06956	3.0
155.03297	1.7
155.04904	2.7
157.06505	3.2
165.50313	2.0
166.01329	4.8
167.02072	2.2
168.02901	7.0
169.06523	3.8
171.04398	1.9
171.08040	2.1
173.05983	4.0
178.01353	11.6
180.03021	2.7
181.06479	2.0
183.02844	3.2
185.05939	2.2
187.07448	1.9
190.01401	2.6
194.04439	1.5
197.05997	6.2
199.07535	3.1
201.05399	2.3
205.04877	1.9
213.05573	1.7
215.06946	3.7
217.02516	1.7
217.04961	6.8
218.00803	2.7
220.02382	4.2
225.05466	4.8
229.10182	2.2
236.01860	3.1
240.09157	2.0
243.06581	8.8
246.00397	3.9
254.08192	1.6
259.11145	2.4
261.07474	2.6
270.07611	4.7
271.08243	2.3
272.09174	7.1
273.12482	1.6
278.02853	2.4
282.07538	11.4
284.09088	2.0
287.10922	3.3
301.12296	8.1
303.10181	4.9
308.05573	2.1
311.10916	2.3
322.07092	2.2
324.08633	6.4
329.11618	10.6
347.12717	9.2
350.06454	2.6
350.10242	3.3
364.08072	1.8
382.09064	10.6
412.11804	4.7
426.13162	5.1
452.15378	2.2
468.14224	3.8
478.12711	2.3
496.13715	4.0
498.09442	2.2
509.67169	1.8
582.19000	2.6
600.20221	9.5
618.14490	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	618.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
55.01854	0.2
55.05514	0.2
65.03937	1.2
67.05471	0.2
69.03428	1.9
69.16135	0.6
69.16537	0.7
81.03419	0.9
83.01328	0.3
83.04975	0.6
85.02899	1.3
87.00829	0.6
97.02886	100.0
98.03216	0.8
98.22655	0.4
103.03951	0.3
105.01846	0.3
107.32690	0.2
109.02848	0.7
111.04444	1.4
112.73495	0.2
114.05517	0.5
118.78420	0.2
121.02859	28.9
121.03877	1.0
122.03185	0.4
123.04354	0.2
125.02309	0.3
127.03893	0.8
127.14667	0.2
127.15782	0.2
129.05460	0.7
129.35886	0.2
133.02831	0.5
139.03867	0.4
151.03891	1.7
159.02814	0.2
177.05547	0.3
181.04884	0.4
189.03903	0.8
193.04922	0.3
196.29941	0.2
199.05995	0.3
205.04999	0.4
215.05496	0.7
217.04953	7.4
223.05983	0.3
235.05997	3.6
241.07053	0.4
244.79984	0.2
252.80052	0.2
253.04533	0.3
253.07060	4.0
309.06024	0.3
327.07083	0.6
336.69888	0.2
345.08066	1.0
379.10440	0.3
465.09937	0.4
483.11093	0.9
501.12216	2.0
502.12100	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	618.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01914	0.2
53.03928	0.6
59.05989	0.2
61.37627	0.1
62.62082	0.2
67.05476	0.3
69.32472	0.8
77.03910	0.4
78.03442	1.7
79.05476	0.2
80.05009	6.4
81.03404	0.5
81.07057	0.4
91.05468	0.5
93.07030	0.5
95.04954	1.8
95.08607	0.5
96.04480	4.5
98.23558	0.2
105.03380	16.2
105.04511	0.8
105.07005	0.8
106.02914	1.1
106.03551	0.2
107.08566	0.3
111.04440	0.5
115.46355	0.2
117.06986	0.2
119.08580	1.5
121.10114	0.7
124.03934	100.0
125.04263	0.9
125.05907	0.1
127.03905	0.5
129.07028	0.2
131.08530	0.5
133.06511	0.2
133.10115	0.8
134.07262	0.2
140.03397	0.3
142.07756	0.3
143.08551	0.5
145.10130	0.8
147.11671	0.6
149.09599	0.3
150.83672	0.2
155.08530	0.4
157.10083	1.0
158.10852	0.2
159.08083	0.4
159.11682	0.7
161.09595	0.3
161.13261	0.2
169.10107	0.6
170.10910	0.2
171.11668	0.8
172.12344	0.2
173.09535	0.2
173.13252	0.7
175.11180	0.2
179.08426	0.2
181.10158	0.2
183.11655	0.8
184.12415	0.2
185.13185	0.6
187.11180	0.2
187.14778	1.8
193.10098	0.4
195.11688	0.4
197.13222	1.1
198.14038	0.5
199.14749	0.2
201.09074	0.2
201.12706	0.4
203.14270	0.9
205.15912	0.2
207.11667	0.5
209.13206	0.5
211.14868	0.5
215.10739	0.2
215.14267	0.6
216.15102	0.3
220.12527	0.4
225.12830	0.3
225.16368	0.5
228.06554	0.5
231.10263	0.2
234.13971	0.3
235.14857	0.3
239.10565	0.2
239.17999	0.2
249.16418	0.6
253.15869	0.6
255.13835	0.2
267.13852	0.2
267.17468	0.5
271.16980	0.7
277.15945	0.2
285.18369	0.3
295.16879	2.0
313.17926	2.9
436.21332	0.3
496.23593	0.2
558.24829	0.3
618.26837	5.5
619.27826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.2
51.02381	0.3
52.01907	0.2
53.03936	0.7
55.05516	0.2
67.05499	0.9
68.05010	0.2
69.03417	0.2
69.07085	0.1
69.21040	0.3
69.21443	0.6
77.03910	0.4
78.03445	0.9
79.05477	0.3
80.05017	3.4
81.07074	0.7
83.08638	0.2
91.05465	0.5
93.07043	0.4
95.04964	2.5
95.08569	0.3
96.04495	2.9
97.02886	0.6
104.10751	0.4
105.03391	13.4
105.04414	0.9
105.07012	0.7
106.02915	0.4
106.03677	0.2
107.08578	0.3
109.06516	0.3
111.04428	0.3
113.06029	0.2
117.07033	0.3
119.08583	1.8
121.10155	0.2
123.04365	0.2
124.03947	100.0
125.04274	1.0
131.08554	0.3
133.10159	0.4
141.05479	0.9
142.07733	0.2
143.08565	0.4
145.10127	0.4
155.07025	1.1
155.08333	0.3
156.09290	0.3
157.10133	0.6
159.11702	0.4
161.09573	0.2
167.08546	0.1
169.10127	0.4
170.10887	0.2
171.11674	0.6
173.13246	0.7
179.08479	0.2
181.10182	0.2
183.11678	0.4
185.09508	0.1
185.13268	0.4
193.10144	0.2
195.11682	0.2
197.13298	1.2
207.11662	0.2
209.13284	0.3
211.14864	0.3
215.14290	0.2
220.12497	0.8
221.13252	0.4
223.14819	0.2
225.16330	0.2
234.13899	0.2
235.14816	1.8
249.16525	0.3
253.15976	0.4
255.13782	0.2
277.15918	0.2
295.16858	0.7
313.17975	2.9
454.08664	0.1
588.09381	0.1
618.27142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.8
51.02371	2.6
53.03941	1.5
54.47943	0.5
55.01865	0.9
55.05502	1.7
65.03950	0.7
67.05496	7.7
69.03418	1.5
69.07043	0.6
70.05226	0.5
70.68034	0.6
70.68355	0.5
71.04993	2.4
72.17006	0.5
73.02908	0.6
73.06563	0.6
77.03918	1.2
78.03444	29.2
79.03804	0.6
79.05479	4.0
80.05009	3.4
81.03368	0.5
81.07048	6.3
83.04971	2.4
87.04446	1.8
89.06027	3.1
91.05466	6.7
93.07037	5.4
95.04958	10.9
95.08604	2.6
96.04479	7.8
97.02883	4.9
97.06538	0.7
103.05461	1.2
105.03383	34.8
105.04424	3.8
105.06479	0.4
105.07014	15.8
106.02904	61.9
106.07342	0.9
107.03249	0.5
107.08578	3.0
109.06518	1.8
109.10120	1.3
111.04438	2.7
111.08083	1.1
113.06020	1.0
115.05449	1.1
117.07020	3.0
119.06036	0.7
119.08570	16.3
121.06481	1.4
121.10115	3.4
123.04420	1.4
123.08089	0.6
124.03939	72.9
125.04279	0.8
128.06215	1.1
128.68848	0.5
129.06992	1.9
130.07719	0.7
131.08553	5.9
133.06506	0.8
133.08578	1.8
133.10126	4.2
135.08018	1.1
137.05940	0.9
137.09607	2.2
139.07526	1.4
141.05492	2.8
141.06906	0.9
142.07826	2.2
143.08543	5.0
144.09305	0.7
145.10118	6.2
147.08018	2.4
147.11703	1.1
149.09595	1.1
153.07051	0.6
155.07024	4.6
155.08551	3.2
156.09349	3.6
157.10114	6.7
158.10883	1.5
159.08044	1.4
159.11673	7.1
161.09544	0.8
163.07539	0.5
163.11153	0.7
165.07091	0.6
165.09093	0.7
167.07301	0.5
167.08560	2.0
168.09332	0.8
169.10118	6.0
170.10876	3.7
171.11652	6.0
173.09610	1.7
173.13216	6.3
175.11208	1.1
178.07852	0.6
179.08536	1.8
181.08702	0.9
181.10115	1.7
182.10870	2.5
183.11687	5.4
184.12468	2.4
185.13254	4.0
187.11177	2.2
187.14809	1.1
192.09319	1.2
193.10133	2.9
194.10905	1.0
195.11662	4.0
196.12482	1.2
197.09727	0.8
197.13242	11.9
198.13876	0.7
199.14775	0.8
201.11102	0.7
201.12767	2.5
202.13438	0.6
203.14296	1.1
205.10168	1.3
206.10831	1.4
207.09975	0.5
207.11557	2.7
208.12404	0.9
209.13203	4.2
210.13982	0.9
211.11200	1.2
211.14745	4.1
215.14323	1.3
219.11737	1.6
220.12460	7.0
221.13258	2.5
223.11093	0.6
223.14777	0.9
225.12738	1.3
225.16374	2.9
234.14052	1.0
235.14772	9.1
239.17906	0.5
249.16277	2.3
253.15947	2.4
255.13843	0.9
262.13602	0.7
267.17462	1.2
271.16821	1.2
277.15735	0.7
280.14618	0.7
285.18527	0.8
288.48541	0.5
295.16861	3.0
313.17950	14.6
314.18185	0.8
318.13318	2.3
331.19037	1.8
355.51306	0.5
380.63354	0.5
400.11172	0.5
436.20920	2.3
454.22208	1.5
496.23355	7.5
497.23038	0.7
576.25665	0.7
618.26862	100.0
619.27069	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	618.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.7
51.02372	1.6
53.03938	1.7
55.01863	0.5
55.05498	1.7
57.07088	0.5
63.44324	0.4
65.03926	0.6
67.05493	2.6
69.07071	0.7
69.14246	2.8
74.77796	0.5
77.03929	1.2
78.03452	16.0
79.05492	3.5
80.05013	7.2
81.03407	3.9
81.07064	3.3
83.04959	1.1
83.08599	0.5
91.05478	6.3
93.07050	5.1
95.04959	6.7
95.08609	3.6
96.04492	6.8
97.02885	0.8
105.03388	33.0
105.04420	2.5
105.07023	8.6
106.02911	41.7
107.08587	4.8
109.02786	0.6
109.06509	1.5
109.10128	1.4
111.04455	4.4
111.05173	0.7
113.60169	0.5
115.05415	0.5
117.06992	2.1
119.04922	0.9
119.08575	11.3
121.06499	1.8
121.10143	4.6
123.04360	0.5
123.08052	1.6
124.03945	100.0
125.04256	1.2
127.03906	4.0
128.06201	1.1
129.06969	2.4
130.07767	0.8
131.08563	6.2
133.06471	1.2
133.10121	9.0
134.07278	1.5
135.08031	1.5
135.11739	0.5
139.07530	0.5
141.06999	1.2
142.07822	2.5
143.08546	5.2
144.09320	1.1
145.10121	10.6
147.08073	1.3
147.11641	4.6
149.09598	1.0
155.08501	3.5
156.09309	3.4
157.10115	7.4
158.10905	1.4
159.08022	1.4
159.11671	6.6
161.09612	2.6
161.13226	1.4
163.07504	0.7
165.06985	0.8
167.08586	1.5
168.09308	1.4
169.10115	4.7
170.10912	2.8
171.08180	0.6
171.11679	6.6
172.12393	1.6
173.09618	2.7
173.13248	6.5
175.07547	0.6
175.11198	1.8
175.14810	1.1
179.08569	1.7
180.09261	0.8
181.10143	2.4
182.10905	2.4
183.11676	7.9
184.07561	0.8
184.12341	0.8
185.09637	1.6
185.13277	3.9
186.10245	0.6
186.13844	0.7
187.11180	2.8
187.14801	10.9
188.11931	2.1
189.09062	1.1
192.09296	0.7
193.08530	1.2
193.10136	2.4
194.10954	1.2
195.11702	2.6
196.12427	0.7
197.09628	0.6
197.13258	7.9
198.14024	4.9
199.14812	1.7
201.08972	0.5
201.12770	2.7
203.14317	6.9
204.09332	0.5
205.15778	0.9
206.10860	1.3
207.11691	3.2
208.12381	0.9
209.09583	0.6
209.13271	2.7
210.13922	0.9
211.11148	1.9
211.14796	3.0
213.09113	1.0
215.10707	1.1
215.14304	3.6
216.15085	2.2
219.11790	1.1
220.12454	2.0
221.09622	0.7
221.13182	1.9
222.13974	0.6
223.11163	0.6
223.14859	2.2
225.09113	0.5
225.12743	2.0
225.16406	2.1
227.14447	0.7
228.06493	1.2
229.12187	1.1
231.10146	1.3
234.14027	1.8
235.11235	1.0
235.14813	3.1
236.15511	0.6
237.12688	0.6
239.10802	1.0
239.14244	1.2
239.17975	2.1
241.19579	0.6
249.16362	4.3
251.17931	1.2
253.12129	1.2
253.15907	2.4
257.15271	1.1
262.13565	0.7
267.13892	0.8
267.17444	4.1
269.19220	0.5
271.16830	2.9
277.15796	2.7
280.14743	0.6
285.18439	3.3
295.16913	15.4
310.18390	0.8
313.17935	18.1
331.18869	1.3
355.19101	1.1
359.17804	0.6
385.45929	0.6
418.20190	1.2
435.21646	0.6
436.21185	0.7
478.22397	0.6
496.23322	0.9
558.24976	2.5
618.26904	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	618.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
57.03430	9.3
61.02926	8.7
67.05508	1.4
67.48325	0.9
69.03422	20.3
69.12696	3.8
71.01349	2.4
71.04979	2.2
71.08626	19.6
71.10014	0.7
72.53748	0.8
73.02914	25.0
81.03425	3.8
83.01359	0.9
85.02897	61.9
87.04478	1.8
91.03936	3.0
93.07080	1.0
95.04942	1.1
97.02884	36.6
99.04459	2.5
99.08094	24.3
103.03942	1.4
109.02848	5.3
109.10162	1.2
115.03922	13.8
127.03905	22.0
127.11184	24.4
127.12086	1.6
133.04959	18.8
135.04324	0.8
145.04950	33.3
145.12221	100.0
146.12595	2.4
149.05995	1.5
151.03893	3.2
152.04156	0.8
163.06001	17.4
169.04968	1.1
208.13278	1.1
209.08080	1.6
217.07123	2.4
221.29405	0.7
223.05998	3.4
241.07043	3.6
244.90390	0.8
259.08200	7.0
277.09235	2.8
289.08990	0.9
295.10266	5.4
325.11383	3.0
395.04355	1.5
396.04797	1.1
413.05536	1.0
414.05780	2.3
498.07425	1.2
516.09106	1.0
552.74591	0.9
618.12213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71242	0.3
54.21507	0.3
55.05504	0.6
56.05040	1.8
56.60699	0.3
56.96564	4.6
57.03442	0.5
58.06597	0.9
59.07340	0.3
60.07874	0.4
60.08161	6.2
67.05497	0.8
69.07090	0.6
70.80209	0.3
71.07375	5.4
72.08144	1.0
79.05480	0.4
81.07056	0.6
86.09703	21.3
97.96822	0.5
102.92619	1.2
104.10739	100.0
105.11083	0.7
110.97567	0.5
118.92087	0.8
124.03952	0.9
124.99989	1.3
128.98630	0.6
131.04915	0.6
136.93102	2.7
146.99612	0.4
154.94164	5.2
162.94601	1.6
172.95239	6.5
178.81636	0.4
180.95718	6.4
181.02649	0.5
190.96300	2.8
192.95711	0.5
198.96788	22.7
203.97301	0.5
210.96802	2.1
214.96455	0.3
216.95757	0.7
216.97849	13.8
221.98398	1.3
228.97820	3.3
236.98482	0.6
240.09950	1.8
246.98856	0.4
254.99380	2.5
258.99136	0.4
282.04208	1.0
300.05225	1.0
314.06720	0.5
319.19394	11.0
320.19852	0.5
337.20486	17.7
338.21054	0.7
355.21323	0.5
360.22064	1.6
374.64328	0.4
427.46439	0.4
439.19366	1.3
443.18695	1.4
455.18951	0.9
473.19818	5.7
499.21259	4.3
502.26053	9.2
503.26602	0.6
522.91858	0.3
558.28632	15.1
559.28772	0.6
618.30731	10.7
619.31012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.8
56.05028	0.9
56.82806	0.4
56.96564	2.8
56.96803	0.4
58.06586	1.1
60.08161	6.2
62.88648	0.5
67.05497	1.0
69.24226	3.2
71.07362	2.8
79.05494	0.8
81.07052	0.7
83.08633	0.8
86.09705	16.1
93.07039	0.5
98.23427	1.0
102.92641	0.6
104.10741	100.0
105.07027	0.6
105.11067	1.6
124.03945	1.1
136.93100	1.7
154.94121	3.5
162.94725	0.8
172.95244	5.1
180.95697	4.8
190.96367	1.4
195.28568	0.5
198.96791	14.0
210.96756	1.3
216.97852	8.9
221.98500	1.3
227.12775	0.8
228.97827	2.4
240.09927	0.7
254.99403	1.0
282.04025	0.9
283.01947	3.5
303.00089	0.5
314.06714	1.0
319.19412	8.5
337.20529	15.3
337.26981	1.1
360.22086	1.6
376.32224	0.6
443.18445	1.3
445.42407	0.6
455.18695	0.8
455.76187	0.5
473.19836	3.9
499.21469	3.6
502.26086	8.2
532.27545	0.6
558.28644	12.7
559.29175	0.8
618.30548	9.0
619.28461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.7
57.07063	3.3
60.74504	2.3
67.05509	13.2
69.03416	3.8
69.07059	6.6
69.39148	2.1
74.55492	2.0
79.05482	7.7
81.07040	19.6
83.04982	4.2
91.05468	10.0
93.07053	18.9
95.04974	6.6
95.08596	33.3
97.02851	3.4
98.22609	3.3
105.07024	17.0
107.08597	17.0
109.10155	13.0
111.04410	11.2
111.08060	2.9
117.07060	6.6
119.08575	100.0
120.08793	2.7
121.06480	5.4
121.10126	10.4
123.08031	3.8
123.11675	11.5
127.03886	3.8
129.06995	2.6
131.08560	11.2
133.10118	29.0
135.08032	6.8
135.11644	5.8
137.09593	9.3
139.07492	4.7
141.07040	3.7
143.08562	7.1
144.09250	2.9
145.10132	22.9
147.11664	9.4
149.09674	3.5
149.13257	6.1
151.11169	6.5
156.09294	3.3
157.10091	9.9
159.11694	42.1
161.09616	3.9
161.13232	9.3
169.10085	14.4
171.11708	12.7
173.09680	4.0
173.13232	12.0
173.84799	2.3
177.12695	5.5
181.10144	2.7
182.10927	4.6
183.11693	17.2
185.13263	9.7
187.14795	10.7
189.12708	3.4
189.16376	3.7
191.10713	2.8
195.11783	2.9
197.13251	16.3
199.14828	7.2
201.12816	3.1
201.16364	13.5
207.11813	2.8
208.34621	2.3
211.14828	6.9
215.10796	2.8
225.12726	4.6
229.12236	8.6
237.16362	4.9
239.14423	2.8
239.17914	11.8
243.13786	3.1
245.15440	3.9
253.19514	19.0
257.15146	2.7
257.18945	4.2
261.14798	3.9
263.17865	4.2
271.20413	11.2
281.19028	16.0
289.21564	6.3
299.19995	47.4
300.20190	2.9
317.21109	66.1
318.21408	3.4
335.22153	63.9
532.77264	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
54.39269	0.5
55.01876	1.3
57.03429	0.9
59.35739	0.5
61.02924	0.6
61.07066	0.5
65.03902	0.7
68.99799	1.0
69.03432	4.8
71.43392	0.5
73.02922	1.4
77.03944	0.5
78.04707	2.0
79.05491	6.4
81.03419	3.6
81.04523	0.8
85.02901	8.6
87.00832	3.4
91.03996	0.6
91.05463	3.9
95.04955	2.4
97.02861	2.9
99.04448	1.6
103.05417	3.2
104.06207	0.6
105.01872	1.4
105.04514	1.0
105.07034	5.5
106.04163	1.9
106.04830	0.5
107.04245	0.9
107.04954	11.9
109.02862	3.8
115.05460	4.3
117.03392	0.6
117.06981	1.3
118.04185	1.2
119.04931	0.9
119.08567	2.0
120.04749	0.6
121.06496	1.5
122.03680	0.7
122.07194	2.6
123.04429	6.1
123.07919	1.4
124.05200	2.4
125.06005	0.9
127.03916	6.7
128.06215	2.0
129.01854	0.7
129.07021	5.8
131.04930	4.5
131.08530	0.6
132.05701	2.2
133.06519	4.6
137.05997	1.2
141.06996	1.0
144.05672	1.7
145.02852	1.2
145.04956	1.5
145.06488	1.5
147.04367	1.0
147.08061	3.8
149.05986	1.3
151.03905	2.0
152.04677	2.1
153.05441	1.9
156.05672	0.9
159.02873	1.6
159.08083	4.4
160.05176	1.6
161.05957	8.0
167.07030	100.0
168.07387	1.4
169.06494	1.3
171.08055	1.1
172.05214	2.2
173.05904	0.6
175.07533	26.1
176.04683	1.2
177.05479	4.2
178.07800	0.7
179.06985	1.1
181.06509	0.6
181.08575	0.8
184.05186	1.7
185.05824	0.7
187.07530	18.8
189.07037	1.0
189.09091	2.7
190.07759	1.9
191.07025	10.4
191.08652	1.3
192.07855	0.7
193.08597	1.4
199.07506	9.4
202.07738	2.1
203.08505	3.3
204.09230	0.7
205.06590	0.8
205.10245	0.7
206.07288	1.9
207.08121	1.1
209.08070	2.3
210.81317	0.6
215.08635	2.7
217.06499	1.0
217.08641	1.7
218.07251	2.7
219.07965	2.1
220.08865	1.5
221.09636	3.1
231.05006	0.9
231.08020	2.0
232.08832	1.3
233.05922	0.7
233.09650	3.5
234.06718	1.8
235.07509	3.4
243.08133	0.7
245.05977	0.7
246.06757	2.2
247.07533	1.8
248.08292	1.1
249.09105	4.4
250.09863	1.6
251.07005	2.1
257.05978	1.4
259.07516	1.6
260.08298	1.3
261.09119	5.2
262.06345	0.8
262.09854	1.0
263.06985	2.3
265.08713	0.7
266.09293	1.5
267.10040	0.6
273.09103	0.7
274.06250	1.6
275.07083	1.2
276.07947	0.8
277.08630	3.5
278.09381	3.2
279.06403	0.6
281.11658	7.0
288.07785	0.6
289.08603	6.2
290.09259	1.5
291.06442	1.6
291.10077	1.7
292.10864	0.6
293.08215	0.9
293.11700	3.1
294.08887	1.5
295.09583	1.4
306.08740	2.5
307.09647	1.8
309.11139	7.4
310.11850	0.9
321.11179	11.8
322.11871	1.2
325.14282	1.3
326.11484	3.1
338.11414	1.7
339.12466	0.6
341.13815	33.2
342.14090	0.7
351.12247	0.7
353.13809	22.8
354.14026	1.2
365.13782	2.0
371.14731	1.0
383.14700	1.1
443.15762	1.3
503.69949	0.6
619.20306	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
55.05507	2.2
56.96559	15.1
66.56269	0.9
67.05500	5.7
69.03442	1.3
69.07053	1.6
69.16130	6.1
70.04075	1.5
71.05002	1.4
78.49210	0.9
79.05498	3.6
81.07056	6.7
83.04987	1.5
83.08600	2.0
84.96040	2.8
85.06519	1.1
91.05474	7.6
93.07022	5.4
93.19463	1.2
95.04980	3.5
95.08631	3.3
97.02894	2.6
97.96838	1.4
98.22753	1.9
98.97576	28.6
99.05589	4.7
100.11237	1.8
105.07017	9.6
107.08606	3.6
109.06545	1.7
109.10173	3.3
111.04443	2.6
116.98618	21.1
117.06995	2.7
119.08581	20.0
121.10210	3.1
124.03951	3.5
124.99163	2.1
128.06244	1.7
129.06993	1.7
131.08578	9.1
133.06450	1.5
133.10170	4.7
134.99657	9.9
135.08087	1.8
137.09625	3.6
137.15086	1.1
140.00270	1.6
141.07060	1.2
142.07782	3.2
143.00175	4.6
143.08578	5.3
145.01743	3.1
145.10139	4.7
149.09639	3.1
155.07109	1.2
155.08580	4.1
156.09367	4.0
157.10136	8.3
158.10872	1.5
159.08084	2.0
159.11713	8.7
161.01244	4.6
161.09630	2.3
163.02782	7.3
165.07011	1.7
167.08539	2.0
168.09430	1.3
169.10124	8.7
170.10930	4.7
171.11667	6.7
173.13319	4.7
175.11252	1.6
179.08543	2.1
181.03897	2.1
181.10165	3.3
182.10921	2.1
183.11702	6.3
184.12468	2.9
185.01251	1.6
185.13278	4.6
186.10495	1.6
187.11224	3.0
193.10194	2.7
194.10817	1.3
195.11755	3.8
196.12553	1.9
197.13220	8.4
198.13852	1.3
199.02843	1.2
201.12778	2.6
202.13612	1.8
203.02271	1.8
203.14388	1.5
206.10905	1.3
207.11703	4.1
209.13298	3.8
210.14040	1.4
211.06255	1.3
211.14914	4.5
220.12527	4.3
221.13362	3.5
223.14844	1.4
225.16429	2.1
233.08458	1.4
235.14841	4.5
249.16367	1.7
253.15826	2.7
255.13823	1.3
259.10126	2.0
275.09631	1.7
285.11911	1.3
301.11264	1.6
303.12738	1.6
309.11646	3.3
312.65359	1.0
313.18100	4.7
315.09238	1.3
315.12589	2.8
317.10629	1.5
325.14664	2.3
327.12668	16.5
328.12912	1.2
329.10699	1.7
333.13806	2.4
339.12427	1.3
341.14340	1.3
343.15900	1.6
345.13699	24.2
346.14310	1.4
351.13135	1.6
363.14771	22.7
368.15213	2.0
369.13815	6.1
375.14957	1.4
386.16632	1.2
387.14728	13.4
405.15851	12.4
411.14789	1.6
415.17688	1.7
428.17569	1.8
429.16006	4.5
447.16940	12.5
470.18768	1.3
471.17224	2.1
475.20486	1.9
489.18033	6.9
493.21115	14.0
517.20990	9.8
531.19006	24.5
532.19098	1.2
535.22186	28.0
536.22406	2.5
558.24377	1.4
559.22369	17.9
577.23193	32.1
578.23773	2.1
609.57922	1.4
619.24207	100.0
620.24274	6.7
637.24847	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	619.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.3
53.03941	0.7
55.05516	0.3
58.26962	0.3
59.82238	0.3
67.05489	0.7
69.07068	0.6
70.04033	0.4
70.71454	0.4
78.03448	8.1
79.05468	0.6
80.05009	6.9
81.03407	0.5
81.07036	0.8
91.05473	1.8
91.99655	0.3
93.07022	1.2
95.04991	0.4
95.08581	1.1
96.04491	5.5
97.02887	0.4
97.06522	0.3
105.07020	2.9
106.02911	14.3
107.08584	1.3
109.06505	0.8
117.07037	0.5
119.08588	1.9
121.10135	0.8
124.03944	100.0
125.04295	1.5
127.03860	0.5
129.07024	0.6
131.08537	1.3
133.10117	1.5
135.08075	0.6
141.07069	0.4
142.07800	0.7
142.52509	0.3
143.08569	1.9
145.10086	2.0
147.11700	1.1
155.08516	0.8
156.09367	1.1
157.10143	1.9
159.08076	0.7
159.11638	1.7
167.08652	0.5
169.10091	1.5
170.10933	0.8
171.11673	1.4
172.12361	0.4
173.09622	1.2
173.13246	0.9
174.26158	0.3
181.10069	0.8
182.10928	0.6
183.11702	1.4
185.09717	0.5
185.13289	1.1
187.11156	0.7
187.14848	1.5
189.12761	0.8
193.10162	0.5
194.48830	0.3
195.11559	0.7
197.09636	0.4
197.13220	1.5
198.14049	0.4
199.14792	0.3
201.09109	0.3
201.12793	0.5
207.11720	0.5
209.13287	0.5
211.11198	0.7
211.14830	1.6
213.05917	0.3
215.14372	1.2
220.12476	0.7
221.13432	0.3
225.12790	0.5
225.16310	0.6
225.58838	0.4
229.06055	0.7
229.15866	0.4
231.10252	0.4
235.14890	0.8
239.14377	0.3
249.16286	0.4
253.16011	0.9
267.17487	0.4
283.51193	0.4
285.14987	0.4
285.18524	0.4
295.17035	1.1
313.17984	4.3
373.20218	0.5
436.21240	2.2
496.23364	1.2
499.72739	0.4
559.23779	0.7
619.26440	40.8
620.26886	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	619.2647
Annotation	Scutebarbatine J
Peak:m/z	Relative Intensity
50.01587	0.3
51.02378	0.5
53.03931	0.4
53.43576	0.1
55.05504	0.3
67.05494	0.6
69.03435	0.2
69.93403	0.5
69.93782	0.2
78.03452	7.3
79.04210	0.2
79.05482	0.4
80.05014	6.1
81.03408	1.1
81.07046	0.6
91.05464	1.1
93.07046	1.2
95.04959	0.6
95.08615	0.9
96.04488	4.9
96.86054	0.2
97.02846	0.2
98.22662	0.2
105.07018	1.7
106.02911	17.7
107.03258	0.2
107.08579	1.2
109.06528	0.3
109.10152	0.4
111.04480	0.8
115.05447	0.2
117.07029	0.6
119.08560	2.5
121.06483	0.5
121.10150	1.1
123.08072	0.4
123.67802	0.2
124.03946	100.0
125.04233	0.8
127.03918	0.9
128.06204	0.3
129.07008	0.5
131.08565	1.3
133.06488	0.2
133.10127	1.7
134.07269	0.2
135.08054	0.4
139.07536	0.2
141.07004	0.4
142.07790	0.4
143.08577	1.4
145.10114	2.6
147.08022	0.5
147.11685	1.1
149.09549	0.3
151.07526	0.2
153.07045	0.2
154.07713	0.2
155.08546	0.7
156.09340	0.4
156.20804	0.2
157.10123	1.7
158.10928	0.4
159.08018	0.5
159.11659	1.5
161.09618	0.4
161.13231	0.3
163.07616	0.2
165.07054	0.3
167.08546	0.4
168.09256	0.2
169.10158	1.0
170.10886	0.6
171.11626	1.3
172.12517	0.4
173.09612	0.9
173.13249	1.7
174.14175	0.2
175.07664	0.2
175.11221	0.5
175.14876	0.3
179.08498	0.4
181.10139	0.4
182.10901	0.5
183.08099	0.2
183.11671	2.1
185.09544	0.3
185.13243	1.1
186.13594	0.2
186.61209	0.2
187.11185	0.7
187.14804	3.6
188.11983	0.3
189.08980	0.2
189.12550	0.2
192.09277	0.2
193.08574	0.2
193.10141	0.5
194.10989	0.3
195.11697	0.6
196.12469	0.2
197.09575	0.3
197.13210	1.9
198.14009	1.2
199.14690	0.3
201.09048	0.3
201.12802	0.8
203.14322	1.9
205.15833	0.3
207.11726	0.7
209.13272	0.7
210.10521	0.2
210.14047	0.2
211.11169	0.5
211.14795	1.0
213.16351	0.2
215.10611	0.3
215.14285	1.1
215.97588	0.2
216.15112	0.6
219.11668	0.5
220.12469	0.4
221.13231	0.6
223.11134	0.2
223.14810	0.3
225.12825	0.3
225.16333	0.8
229.06081	0.8
231.10251	0.4
234.14114	0.5
235.14865	0.6
239.14337	0.4
239.17880	0.6
241.12321	0.2
249.16396	1.0
251.17949	0.3
253.15848	0.9
255.13675	0.2
257.11374	0.2
257.15189	0.2
267.13788	0.4
267.17419	1.1
271.16998	1.0
277.15814	0.6
285.15570	0.2
285.18506	1.0
295.16913	4.0
305.68994	0.2
310.18152	0.3
313.17935	5.0
331.18774	0.3
355.18967	0.4
418.20139	0.6
436.21204	1.9
478.22107	0.5
496.23163	0.9
511.07938	0.2
559.24420	2.7
601.25812	0.2
619.26367	4.6
620.27240	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	619.2651
Annotation	Scutebarbatine J
Peak:m/z	Relative Intensity
50.01587	0.8
51.02371	1.1
52.01894	0.2
53.03937	0.8
55.01856	0.2
55.05487	0.6
61.52454	0.2
65.03939	0.2
67.05500	2.3
67.20547	0.2
68.32412	0.2
69.03419	0.7
69.07060	0.4
69.29391	0.3
69.29787	0.9
71.04977	0.8
75.08260	0.2
77.03952	0.2
78.03450	14.7
79.05500	1.2
80.05013	6.7
81.07044	2.2
83.04977	0.5
91.05471	2.4
93.07037	1.7
95.04960	1.4
95.08603	0.8
96.04489	7.0
97.02890	2.1
97.06520	0.6
105.07035	2.2
105.96992	0.2
106.02911	31.8
107.03248	0.3
107.04944	0.2
107.08575	1.3
109.06503	0.8
109.10128	0.4
110.07106	0.2
111.04455	1.0
111.08064	0.3
113.05989	0.2
115.05431	0.2
117.07014	1.0
119.04909	0.2
119.06052	0.6
119.08569	9.2
121.06507	0.6
121.10108	0.6
123.04427	0.3
123.08083	0.2
124.03944	100.0
125.04290	0.9
128.06195	0.5
129.07004	0.7
130.07805	0.2
131.08569	2.6
133.06453	0.4
133.10115	1.7
133.11005	0.2
135.08054	0.4
137.05939	0.3
139.07520	0.2
140.03395	0.3
141.05431	1.0
141.07021	0.4
142.07794	1.2
143.08559	1.9
144.09360	0.4
144.55699	0.2
145.06503	0.2
145.10098	2.6
147.08025	0.4
147.11710	0.4
149.09572	0.3
153.07024	0.3
153.09120	0.2
155.07043	1.8
155.08525	1.3
156.09306	1.2
157.10110	3.4
158.10912	0.5
159.08044	0.5
159.11685	2.9
161.09648	0.4
165.07063	0.2
167.08549	0.9
168.09200	0.3
169.10104	3.0
170.10905	1.3
171.11684	3.6
173.09613	0.8
173.13239	2.6
174.13785	0.2
175.11194	0.5
179.08588	0.8
180.09320	0.3
181.10072	1.0
182.10904	1.1
183.11679	2.9
184.12456	1.3
185.09624	0.4
185.13248	1.5
186.10374	0.2
187.11166	1.3
187.14789	0.3
192.09326	0.4
193.10089	1.2
194.10912	0.7
195.11641	1.5
196.12480	0.6
197.09634	0.5
197.13243	5.2
198.13820	0.4
199.11240	0.2
199.14790	0.5
201.12750	1.2
202.13594	0.5
203.14301	0.7
205.10176	0.4
206.10956	0.5
207.11676	1.4
209.13213	1.8
210.10524	0.2
210.13934	0.2
211.11166	0.8
211.14760	1.8
213.07303	2.1
215.14319	0.9
219.09972	0.3
219.11813	0.4
220.12477	3.1
221.13254	1.2
222.10408	0.2
223.14830	0.8
225.12680	0.3
225.16318	1.6
227.14296	0.3
233.13332	0.2
234.14005	0.8
235.14799	4.2
238.13422	0.3
239.17892	0.3
249.16438	1.1
251.14259	0.3
253.12344	0.3
253.15936	1.1
255.13744	0.6
257.67670	0.2
267.17435	0.6
271.16943	0.3
277.15860	0.4
280.14658	0.3
285.18457	0.4
295.16864	1.4
308.15417	0.2
313.17963	6.4
318.13379	1.1
331.18985	0.3
369.16537	0.5
402.61179	0.2
429.18768	1.1
430.58719	0.2
436.21277	1.0
454.22189	0.7
496.23270	19.4
497.23441	0.9
604.34338	0.2
619.26440	49.2
620.26642	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2646
Annotation	Scutebarbatine J
Peak:m/z	Relative Intensity
51.02387	0.2
53.03949	0.3
67.05496	0.7
67.06441	0.1
68.05009	0.2
68.85966	0.1
70.55288	0.2
70.55640	0.3
78.03455	1.7
79.05476	0.3
80.05009	4.8
81.07040	0.7
91.05466	0.5
93.07018	0.3
93.41864	0.1
95.04948	0.3
96.04483	3.4
97.02894	0.3
105.07011	0.6
106.02890	1.4
111.04446	0.2
113.17152	0.2
119.08560	2.3
123.04436	0.2
124.03940	100.0
125.04250	0.8
131.08546	0.3
133.10115	0.5
135.08090	0.2
139.07216	0.1
140.03435	0.3
141.05440	0.4
141.81451	0.2
143.08563	0.3
145.10054	0.4
155.07039	0.4
155.08450	0.2
156.09297	0.3
157.10138	0.7
159.11652	0.7
169.10104	0.8
170.10875	0.4
171.11739	0.8
173.09505	0.2
173.13219	0.4
183.11674	0.7
184.12547	0.2
185.13260	0.4
193.10187	0.3
194.10870	0.2
195.11679	0.3
197.13249	1.1
199.17239	0.2
201.12709	0.3
207.11540	0.3
208.12466	0.2
209.13235	0.6
211.14748	0.4
220.12405	0.6
221.13272	0.3
225.16331	0.3
235.14848	1.1
242.50621	0.2
249.16457	0.4
253.15807	0.3
255.13664	0.2
295.17017	0.5
313.17981	1.9
318.22195	0.2
349.72684	0.2
375.30356	0.2
410.83374	0.2
436.21207	0.2
454.22150	0.8
496.23251	11.9
497.23145	0.5
577.24982	0.7
619.26459	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	619.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05504	5.3
56.48865	0.7
57.98775	0.6
58.99582	4.9
63.41941	0.7
65.03937	1.0
67.05504	6.1
69.03064	1.3
69.03426	21.4
69.07063	2.7
69.61961	2.1
69.62351	1.5
70.02943	1.1
71.04947	1.0
71.50510	0.7
74.00651	0.9
76.02211	1.8
78.03442	3.4
78.45012	0.7
79.05491	4.8
80.05011	6.5
81.03420	6.0
81.07057	7.2
82.06562	0.8
83.04973	14.6
83.20608	0.7
85.02911	0.9
86.00649	20.2
88.02219	10.4
88.03987	15.4
89.06007	2.5
89.90849	0.7
91.05481	7.9
93.07030	7.6
94.06573	0.7
95.04960	3.0
95.08594	7.8
95.17944	0.6
96.04485	2.7
97.01115	2.6
99.02705	0.9
105.00051	1.2
105.07021	9.6
106.02917	5.1
106.06558	1.4
107.08580	6.3
109.06493	1.8
109.10126	3.1
111.02703	1.1
111.04433	22.7
113.06018	1.7
114.03719	0.8
115.05396	0.8
116.01656	1.4
117.07035	5.0
117.77541	0.8
118.06535	1.3
119.08573	11.0
119.86715	0.8
121.06493	1.8
121.10139	6.0
122.00600	0.9
123.08041	1.3
124.03947	100.0
125.04259	1.9
126.03714	1.3
128.06195	1.5
129.07014	4.7
130.07785	1.3
131.08560	12.4
132.01143	40.7
132.08093	0.8
133.08647	1.1
133.10118	7.4
134.02698	3.6
135.10527	1.4
135.11699	1.1
137.04213	2.4
141.07010	1.7
142.07791	3.0
143.08565	6.7
144.09309	1.7
145.10117	25.1
147.08057	1.7
147.10417	2.3
147.11684	5.1
149.04208	1.1
149.13211	1.2
153.07077	1.0
154.07819	1.0
155.08533	6.0
156.09352	3.9
157.10127	11.9
158.10852	2.4
159.08078	1.1
159.11688	16.8
161.09656	0.9
161.13226	2.2
163.05809	2.0
165.07034	1.5
166.07858	1.2
167.08524	3.9
168.09297	2.1
169.10110	8.6
170.10870	2.6
171.11688	6.4
172.12468	2.6
173.09674	1.3
173.13257	4.7
174.12790	0.9
175.14845	1.8
177.16418	1.1
179.08566	3.1
180.09315	1.7
181.10081	6.8
182.10878	3.4
183.11649	7.0
183.32658	0.8
184.04251	2.7
184.12541	0.9
185.09631	1.0
185.13280	10.1
186.05782	1.4
187.14803	60.9
188.15085	0.9
189.07484	1.0
189.16356	1.0
191.08806	1.2
193.06145	1.1
193.10141	3.8
194.10944	1.5
195.11742	6.1
196.12456	2.7
197.13249	7.1
199.14844	2.7
200.14325	0.8
203.08835	1.6
204.09381	1.0
205.10124	2.2
207.11667	2.6
208.12349	1.4
209.13231	6.0
211.11258	1.3
211.14799	9.4
213.12773	1.2
213.16359	2.4
215.08842	1.0
215.14330	2.1
217.10349	1.7
219.11932	4.9
220.12511	1.8
221.13394	3.4
222.13983	1.3
223.11195	0.9
223.14816	2.7
224.07352	1.1
225.16431	1.7
227.14354	1.0
229.10397	1.2
229.15849	1.4
231.11862	2.6
233.13368	1.7
235.14850	4.3
236.93938	0.8
237.12721	0.9
237.16420	2.2
238.09013	1.2
241.10414	1.0
243.12009	1.5
244.62663	0.7
245.13660	1.4
249.16347	1.0
251.14235	1.0
251.17940	3.1
253.15865	2.4
261.16330	1.6
267.12048	1.0
267.17685	1.0
269.18994	2.3
279.17407	12.6
297.18454	22.7
306.15295	1.9
308.16763	11.5
311.14594	1.6
313.16327	1.3
313.20435	3.4
315.19708	0.8
319.15347	0.8
326.21713	0.7
329.15652	1.7
331.17264	0.8
332.16827	1.0
340.22794	1.3
372.19775	2.0
382.18301	0.9
400.19366	10.5
410.23315	1.5
418.20465	47.0
419.20825	1.4
431.19836	0.8
436.21545	1.5
452.18835	1.4
463.25797	5.9
470.19980	2.0
472.21387	3.0
479.23633	0.9
497.24872	4.6
523.22595	2.3
541.23590	15.0
542.24237	1.0
559.24957	4.8
584.23511	1.9
601.25800	12.7
619.26654	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.7
51.02368	1.8
53.03938	1.1
55.01862	0.6
55.05519	1.7
59.04985	0.5
65.03919	0.7
67.05499	7.7
68.05824	1.2
69.03430	1.8
69.07054	1.2
70.03736	0.6
71.04990	2.1
71.43964	0.3
73.02899	1.5
73.06533	0.7
77.03918	1.3
78.03445	28.0
79.03776	3.9
79.05094	0.4
79.05489	4.3
80.05018	3.8
80.05836	0.7
81.03381	0.5
81.05323	0.5
81.07049	6.5
82.07376	1.2
83.04990	1.9
83.08612	0.6
85.06519	0.5
87.04461	1.7
89.06017	5.0
90.06345	0.6
91.05468	6.8
92.05799	1.5
93.07035	4.8
94.07371	1.0
95.04957	9.9
95.08595	3.0
96.03870	0.6
96.04479	9.5
96.05285	2.0
96.08933	0.5
97.02879	6.0
97.04776	1.3
97.06514	1.2
98.03229	0.7
98.06846	0.3
102.06792	0.4
103.05398	1.3
105.03384	34.0
105.04424	3.3
105.07016	19.1
106.02914	59.0
106.03687	8.2
106.07344	4.0
107.02662	0.6
107.03239	12.9
107.08578	3.1
108.08884	0.8
109.06499	1.8
109.10151	1.3
110.06809	0.5
111.04436	2.1
111.08103	1.5
112.04729	0.3
113.05988	1.1
115.05407	0.7
116.06210	0.4
117.07023	2.2
117.09126	0.4
118.07351	0.7
119.04910	0.3
119.06066	0.8
119.08569	16.9
120.08898	5.0
121.06490	2.5
121.10124	3.1
122.06821	0.5
122.10475	1.0
123.04416	1.1
123.08057	1.2
124.03938	72.1
125.00007	0.4
125.04284	15.7
127.01548	0.9
127.06535	0.3
128.06216	1.1
129.07027	1.5
130.07726	1.0
131.08565	5.7
132.08908	1.6
133.06485	1.0
133.08597	2.3
133.10104	4.5
134.08893	0.5
134.10422	1.2
135.08031	2.1
135.11664	0.4
136.08417	0.4
137.05980	0.7
137.09581	1.7
138.09871	0.3
139.01604	0.3
139.07512	1.0
140.07903	0.4
141.05453	2.8
141.06998	1.0
142.05807	0.6
142.07787	2.5
143.08586	3.6
144.08894	1.5
145.10110	5.0
146.10419	2.3
147.08041	2.4
147.11665	1.2
148.08418	0.9
148.12024	0.5
149.09647	1.4
151.07506	0.7
153.06898	0.5
153.09111	0.3
154.07663	0.6
155.07025	3.7
155.08499	2.2
156.07379	1.0
156.09323	2.6
157.10139	6.4
158.10442	3.0
159.08043	1.6
159.11687	5.1
160.08429	0.5
160.12012	2.3
161.09615	0.9
162.09972	0.3
163.07515	0.4
163.11087	0.5
165.07001	0.9
165.09088	0.3
166.07568	0.5
167.08530	1.8
167.10660	0.5
168.09111	0.9
169.10115	5.0
170.10655	4.0
171.11647	4.9
172.11977	2.8
173.09642	1.4
173.13252	5.1
174.10037	0.8
174.13562	2.4
175.11118	0.8
176.11604	0.4
177.11226	0.8
178.07808	0.4
179.08495	1.3
180.09106	0.8
181.08641	0.5
181.10062	1.8
182.10748	2.1
183.11659	3.9
184.12138	3.3
185.09612	1.0
185.13142	3.4
186.10162	0.5
186.13530	1.7
187.11130	1.8
187.14816	0.9
188.11569	1.1
188.15103	0.6
189.09085	0.3
192.09306	0.7
193.10033	2.1
194.10709	1.5
195.11658	3.1
196.12151	2.3
197.09521	0.6
197.13203	8.6
198.13570	6.0
199.11127	0.7
199.14702	0.6
200.11876	0.3
200.15268	0.3
201.12688	1.6
202.13223	1.7
203.14238	1.1
204.14616	0.5
205.10115	1.1
206.10800	1.4
207.11653	2.5
208.12033	1.6
209.13293	2.7
210.13628	2.2
211.11273	0.6
211.14737	3.1
212.11751	0.5
212.15147	1.6
213.12781	0.5
215.14359	1.2
216.14684	0.7
219.10022	0.4
219.11824	0.7
220.12398	4.7
221.12917	5.0
221.15266	0.5
222.13640	1.1
223.11163	0.5
223.14815	0.8
224.11739	0.4
224.15152	0.8
225.12723	1.1
225.16290	1.7
226.13118	0.7
226.16806	1.3
228.06599	0.4
233.13231	0.4
234.13832	1.1
235.14742	6.5
236.15138	4.9
237.16052	0.5
238.13330	0.4
239.17859	0.3
249.12468	0.3
249.16469	1.7
250.16719	1.2
252.14659	0.3
253.15892	1.4
254.16275	1.1
255.13686	0.7
256.14075	0.5
263.13940	0.3
266.13135	0.3
267.17435	0.4
268.17767	0.6
271.16965	0.8
272.17340	0.5
277.15741	0.7
278.16156	0.6
280.14618	0.6
281.15005	0.6
283.01770	0.4
285.18356	0.4
286.19089	0.8
292.71616	0.4
295.16901	1.5
296.17209	1.7
313.17963	6.2
314.18274	7.5
318.13376	1.2
319.13715	1.3
331.19086	0.8
332.10876	0.4
332.19409	0.8
346.09879	0.3
346.21039	0.3
436.21460	0.4
437.21518	1.5
454.22360	0.4
455.22510	1.3
496.23352	2.3
497.23541	6.2
507.46262	0.3
513.99915	0.3
559.25140	0.6
577.26123	0.5
618.26984	2.4
618.42346	0.6
619.27222	100.0
620.27338	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	620.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37754	1.6
70.38106	2.3
76.83850	1.1
77.03899	1.4
95.04974	1.6
103.05466	28.6
113.44450	1.2
115.05452	3.5
129.48584	1.1
131.04924	84.7
131.89285	1.1
175.64713	1.2
182.00897	1.8
192.02954	2.3
208.02380	1.2
236.01843	1.2
254.02907	6.2
268.04553	4.8
280.00952	1.6
296.09180	1.3
340.07913	2.4
342.06351	1.3
366.06061	1.4
384.07068	7.2
420.49176	1.3
427.08359	1.2
484.04218	7.4
516.08850	1.3
518.11908	2.6
588.10492	86.7
589.10620	4.0
607.38196	1.2
620.13110	100.0
621.12854	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	620.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13680	6.6
103.05421	2.7
131.04924	7.0
132.05225	1.4
178.01358	1.7
192.02888	4.8
193.03221	2.4
356.11560	1.3
445.83453	1.2
484.04291	4.2
507.09158	1.3
518.12396	3.0
588.10510	71.2
589.10980	3.4
606.09839	1.3
620.13068	100.0
621.13043	5.8
639.54828	1.3
641.36334	1.4
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
55.05501	6.4
62.76692	2.0
65.03992	1.8
66.20012	1.6
67.05487	15.9
69.03421	10.0
69.07054	7.3
69.86295	3.5
69.86656	3.6
70.06553	2.5
71.04987	2.3
74.65752	1.8
74.69357	1.9
79.05483	10.4
81.03397	5.2
81.07053	24.0
83.04948	12.8
83.08598	5.5
83.98680	1.7
85.02885	6.3
85.06546	2.4
91.05470	11.1
93.07035	14.3
95.04956	6.2
95.08600	27.2
97.02878	4.6
97.06504	6.9
99.04462	2.1
99.08073	4.3
105.01826	2.9
105.07021	18.1
105.83736	2.0
107.08583	24.4
109.02863	4.4
109.10146	19.4
111.08102	2.3
117.07018	5.0
119.07743	3.6
119.08562	48.7
120.08118	2.5
121.02847	2.6
121.06501	5.0
121.10139	13.0
123.08063	6.0
123.11693	13.6
127.03909	7.2
129.06992	5.0
129.36305	1.8
131.08557	11.4
133.06461	7.3
133.10110	21.7
135.08032	5.3
135.11655	7.3
137.09604	6.8
141.07007	2.0
143.08546	9.3
143.11650	1.9
144.09349	2.3
144.39886	2.1
145.04991	2.1
145.10101	23.4
147.11664	11.7
149.09628	3.2
149.13240	3.8
151.11128	6.3
155.08495	2.1
157.10115	17.7
159.07991	2.0
159.11676	35.1
161.09633	5.5
161.13191	8.7
163.11122	2.8
163.14781	2.6
167.08566	1.8
169.10104	33.8
171.11694	17.1
173.09639	2.8
173.13222	9.7
175.11185	2.1
175.14789	2.8
177.12744	4.2
181.10129	3.1
183.11717	11.2
185.13197	13.1
187.11194	5.1
187.14827	9.7
189.12607	2.0
191.33919	2.3
195.11542	4.5
197.13239	9.2
199.11189	2.4
199.14790	8.4
201.12624	2.8
201.16391	3.2
203.14340	4.2
205.15903	3.1
208.12421	2.0
209.13228	7.3
211.14804	3.4
213.12753	3.4
213.16425	3.6
215.14188	2.1
217.15752	2.2
223.14767	6.6
225.16380	2.9
229.15839	2.3
229.19514	2.3
231.04994	2.2
231.13734	4.4
239.17897	24.6
241.15855	2.8
241.19510	7.1
245.15446	2.3
247.16992	2.5
257.18924	3.8
259.25586	2.0
263.16336	4.0
265.19583	8.8
271.20432	2.5
283.20511	27.1
285.22244	2.7
301.21588	90.6
319.22644	100.0
337.23700	55.1
458.58859	2.1
513.24597	4.2
531.25629	5.5
532.20685	3.0
537.33258	2.5
549.26953	13.3
561.15845	3.6
567.27777	7.2
576.19232	2.7
615.29614	2.0
620.18439	3.8
620.39111	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	620.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	73.3
65.69785	1.1
67.33105	1.2
67.66310	1.2
69.03436	1.1
71.08603	1.3
73.06572	2.1
87.04465	20.6
89.06026	100.0
91.05480	6.6
93.07039	6.1
95.04947	4.1
103.05450	3.0
104.10754	2.7
104.48857	1.2
105.06960	3.0
107.07080	1.6
107.08598	2.5
118.07795	4.8
119.04932	5.8
119.08603	4.2
121.06491	30.5
131.04916	2.3
131.07031	9.3
133.08595	71.1
134.08949	1.5
135.08026	3.3
135.11652	2.8
147.08034	12.0
149.09616	5.3
150.06757	5.3
159.11702	2.1
163.11174	2.6
165.09099	16.7
167.10716	3.6
175.09677	3.8
177.11218	28.8
177.12718	2.5
191.10629	4.7
193.12207	2.2
209.11720	8.4
211.13365	4.1
221.13907	6.3
233.18980	21.7
234.97333	1.2
235.13249	3.2
253.14430	2.3
259.20486	2.6
264.91693	1.4
277.18570	2.1
277.21622	37.6
279.15762	2.4
283.17542	2.2
303.23193	2.9
315.17999	1.4
321.24283	11.5
323.73837	1.4
360.20486	1.3
403.23267	1.5
452.61227	1.3
462.04486	1.4
491.28275	9.7
523.14551	1.3
559.38312	1.6
572.02777	1.4
590.72699	1.6
603.32953	1.7
603.41132	15.3
604.40765	1.6
620.43365	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	621.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58849	0.3
69.25686	0.6
69.26095	1.5
69.85706	0.3
72.68381	0.3
74.05567	0.3
105.07065	0.4
112.21149	0.4
124.84602	0.3
161.05994	0.4
175.96471	0.3
176.04530	0.9
185.04240	1.9
190.57664	0.4
202.06102	0.3
203.03249	0.4
203.06895	0.5
203.30598	0.3
205.04716	11.0
217.04611	1.7
218.05515	3.0
219.06239	2.7
232.07057	19.5
233.07758	2.8
245.07896	1.2
249.07309	3.1
324.59128	0.3
350.09760	0.6
381.11542	11.2
393.11740	0.5
395.13077	13.7
396.13828	0.5
411.12753	0.7
459.16187	6.7
459.21936	0.4
460.16989	0.5
511.50839	0.4
591.20361	0.7
620.41388	0.6
621.21478	100.0
622.21875	6.7
622.32404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96380	0.6
64.90780	0.6
70.06606	0.7
97.02882	0.8
103.05463	0.9
113.02135	1.0
131.04977	1.7
132.05318	0.9
133.06526	1.0
176.04517	0.7
185.04192	3.2
205.04750	9.6
217.04755	1.6
218.05496	3.4
219.06296	1.8
232.07050	20.7
233.07809	2.8
245.07959	1.0
246.20656	0.8
249.07378	2.2
381.11542	10.4
395.13141	11.0
411.12741	0.9
428.11673	0.8
459.16327	6.2
621.21509	100.0
622.22058	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	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.52422	0.2
69.90314	0.8
71.16296	0.3
88.26521	0.2
98.22697	0.3
106.06546	0.3
169.47490	0.3
209.10760	0.3
375.16324	0.4
387.16260	0.4
388.16977	0.6
389.17758	1.9
390.18347	0.9
391.19058	0.5
401.17783	0.9
402.18890	0.5
403.19379	3.0
404.20099	1.2
405.20901	1.5
415.19214	0.8
416.15875	0.5
416.20599	0.4
417.16183	2.1
417.21185	1.2
418.17148	0.3
418.21820	0.6
419.22412	3.5
420.23026	0.5
429.16782	0.4
430.17239	0.6
430.22388	0.5
431.18094	4.0
432.19128	1.3
433.20230	1.2
444.19464	0.3
445.20178	3.0
446.20932	3.1
447.21747	4.5
459.17477	0.5
459.22342	0.8
461.19635	1.2
462.20230	0.3
473.19141	0.4
474.20081	2.1
475.21280	3.8
487.21710	1.6
488.22113	0.6
491.20709	0.7
501.23053	0.8
505.26132	0.6
529.22711	0.4
533.25525	5.7
534.26074	0.3
561.24945	11.9
562.25220	1.2
589.24634	0.8
593.27472	3.4
621.27008	100.0
622.27301	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	621.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00888	0.7
52.15184	0.7
54.06589	0.7
55.01840	0.9
58.47138	0.8
69.28289	2.9
69.28687	1.4
84.94740	0.6
91.05489	1.1
105.07063	0.9
108.08125	0.7
152.09312	0.6
178.02409	0.9
178.81627	0.7
183.09137	0.7
207.09119	0.9
209.10788	1.5
221.10728	1.6
223.12299	1.3
235.12402	1.3
249.10011	0.9
275.11417	0.8
297.12775	0.8
312.14890	1.1
314.12775	0.9
372.71027	0.8
373.14667	2.2
374.15210	3.4
375.16245	3.0
386.15704	1.8
387.16211	3.5
388.16953	5.0
389.17596	13.7
390.18478	4.7
391.19208	3.0
399.16205	1.0
400.17581	1.2
401.17847	4.6
402.13913	1.3
402.18961	6.9
403.19379	22.1
404.19989	12.1
405.20660	8.8
406.21451	0.8
413.17435	1.3
415.19873	4.2
416.16290	5.1
416.20340	3.7
417.16064	15.8
417.21124	10.2
418.17749	4.2
418.21719	3.1
419.17230	1.1
419.22400	22.3
420.22934	2.4
429.16928	2.9
429.21164	2.5
430.17151	4.9
430.22910	1.0
431.18173	27.0
431.23715	1.7
432.19162	9.5
433.20038	5.7
442.16986	0.8
443.18683	3.5
444.19482	2.2
445.20145	21.0
446.20886	11.8
447.21701	17.3
448.22763	1.3
449.19937	1.0
457.20538	1.6
458.20972	1.4
459.17972	5.2
459.22495	3.6
460.18396	2.2
461.19833	2.9
473.19339	2.5
473.24368	1.8
474.20291	15.1
475.21240	21.2
476.21786	1.6
487.21161	5.5
488.22092	2.7
491.19962	0.9
501.23038	2.8
502.23761	1.0
503.20883	0.8
505.26276	1.5
518.23004	1.1
529.22748	1.0
533.25574	13.0
534.25891	1.3
546.22809	1.2
561.24945	90.8
562.25256	6.6
589.24506	2.5
593.27844	4.0
621.27014	100.0
622.27106	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	621.2717
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.98489	0.4
59.04990	0.8
62.32219	0.4
73.06542	0.5
79.05477	1.3
79.42805	0.3
87.04488	0.9
89.06033	2.7
91.05465	0.6
103.05491	0.9
103.07600	0.5
105.07015	14.3
106.07362	3.8
121.06503	1.0
127.01550	2.4
131.08589	0.6
132.41100	0.3
133.08640	1.0
139.01538	0.6
147.08070	1.6
148.08365	0.6
153.03107	2.2
177.11253	0.4
183.03714	0.4
187.98051	0.4
197.05696	0.7
224.11511	0.4
230.99774	0.4
247.12466	0.5
314.29617	0.4
339.13553	0.5
350.16464	0.4
352.37457	0.4
362.16171	0.5
374.15286	0.7
375.16068	1.1
376.17841	0.5
387.16028	1.3
388.16840	1.5
389.17648	3.6
390.18271	1.4
391.19241	1.0
401.17700	1.2
402.14252	0.7
402.18915	0.9
403.15878	0.5
403.19470	5.0
404.19876	2.0
405.20782	3.4
415.19690	0.9
416.15634	2.0
417.16946	3.3
417.20975	3.1
418.17194	0.7
418.21964	1.1
419.22375	7.5
420.23077	1.0
429.16837	0.8
430.17932	1.5
431.18085	8.0
431.23676	0.4
432.19238	3.7
433.20035	4.3
443.18634	0.5
444.20142	0.8
445.19992	6.7
446.20804	8.6
447.21722	11.0
448.22241	0.8
457.20227	0.4
458.20917	0.6
459.23026	2.7
460.18790	1.3
461.19751	1.6
462.20676	0.4
463.21277	0.8
473.19229	1.4
473.24304	0.9
474.20239	6.5
475.21243	8.7
476.21606	0.7
477.23370	0.5
487.21277	3.7
488.22046	1.3
491.20917	1.2
492.25558	0.5
501.22842	2.1
503.20950	0.4
504.21362	0.6
505.26080	1.1
517.21887	0.4
518.23035	0.7
519.19977	0.7
520.23956	0.4
529.22211	0.8
533.25513	15.7
534.25696	1.1
546.22845	0.5
561.24933	24.6
562.25189	1.4
577.63593	0.4
589.24445	1.0
593.27570	4.0
621.26996	100.0
622.27307	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	621.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48159	3.0
55.05495	10.5
64.42731	2.9
67.05499	19.0
69.03435	7.8
69.07062	11.3
70.62975	5.5
71.04967	3.8
79.05500	4.9
80.65519	2.8
81.03412	4.3
81.07050	17.5
83.04985	10.0
83.08615	4.8
85.02910	6.6
87.00825	4.1
88.98125	3.0
89.77604	2.6
91.05492	7.2
93.07041	10.0
94.91045	2.8
95.04977	4.7
95.08604	33.5
97.02900	4.8
99.08092	3.6
105.01882	5.3
105.07056	3.7
107.08598	20.5
109.06503	9.4
109.10155	87.3
111.07945	3.3
113.09663	3.9
119.08569	43.8
121.10122	13.8
123.08091	14.5
123.11675	7.5
126.18420	2.8
127.03887	5.2
133.10132	24.0
135.04367	6.6
135.11688	100.0
137.09607	11.8
145.02777	7.2
149.13240	4.5
151.03911	3.3
151.11169	8.3
151.14803	12.7
153.12726	3.6
163.03902	43.6
175.14821	43.3
193.15887	64.6
211.16911	60.9
212.17046	3.2
243.45235	3.5
278.05743	6.0
279.06641	3.2
291.06412	4.0
292.07239	4.3
297.07690	3.6
321.07529	15.2
339.08521	6.0
406.12265	3.3
424.80817	3.8
501.11609	9.3
534.82086	3.7
554.23621	3.8
560.72943	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	2.4
57.03413	2.5
63.56817	1.9
67.05503	8.9
69.07069	3.7
71.22084	4.0
81.03407	2.7
81.07047	8.4
83.04966	4.9
85.02904	13.9
87.00832	4.3
93.07061	5.1
95.08606	16.3
97.02856	2.9
99.08101	2.5
105.01875	5.3
105.06989	4.1
107.08592	6.9
109.02892	4.6
109.06541	6.5
109.10152	50.3
117.03378	3.6
119.08563	20.1
121.10126	8.0
123.08057	7.1
123.11723	3.2
127.03920	5.3
133.10118	11.7
135.11690	53.5
137.05971	3.5
137.09633	6.0
144.46031	2.3
145.02853	4.9
149.13304	3.4
151.03906	3.4
151.11185	3.5
151.14841	4.5
157.13158	2.2
163.03914	6.5
175.14810	28.6
177.05443	6.1
193.15877	47.6
193.17542	3.4
196.03531	2.4
211.16924	56.9
246.56219	2.5
252.54951	2.1
265.94220	2.1
277.09689	2.1
284.93085	2.4
365.28946	4.1
493.33368	18.0
621.38232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05037	0.3
55.93467	0.9
61.76021	0.3
69.04505	0.6
69.85263	1.1
94.02849	0.3
95.02362	1.3
103.05445	1.9
105.03288	1.0
107.04848	0.4
113.03488	3.1
115.05428	1.6
128.06111	0.3
129.06870	0.5
131.04933	5.6
150.01727	0.4
151.05009	1.9
167.01962	0.3
170.05891	0.5
190.01302	0.6
192.02834	0.8
198.09084	0.4
212.07059	1.5
218.00732	1.0
226.06165	0.9
236.01776	0.7
246.00307	0.7
257.99762	0.4
264.01459	0.4
271.08310	0.7
280.06046	3.2
285.07889	0.4
289.09601	1.0
290.07813	0.4
296.09094	0.6
300.00790	0.4
301.98755	0.4
302.02884	0.8
312.97827	0.3
313.98663	1.2
322.07022	0.6
323.97186	0.9
324.97992	1.1
327.96515	3.2
328.00247	1.4
331.99576	0.9
333.08478	0.3
338.99561	0.6
341.98203	8.6
342.98990	11.5
343.99091	0.4
349.98764	1.6
350.06454	0.6
354.96548	0.3
355.96118	24.5
356.96619	2.2
357.00507	5.7
359.99231	14.1
360.99945	6.1
364.99835	0.4
367.99771	18.5
369.00229	0.7
370.98489	0.8
375.01642	4.3
382.09088	2.9
383.99112	2.1
384.12253	2.7
391.01331	0.5
391.99625	0.8
406.09216	1.1
426.13388	0.9
444.02502	1.6
456.11920	1.1
476.99094	0.8
496.02286	2.6
510.15536	3.8
514.03589	0.5
520.02081	1.5
526.03180	0.4
536.01855	0.7
551.03680	0.4
560.18170	1.5
564.01361	60.3
565.01624	3.4
579.03760	5.2
586.16187	0.4
592.00793	8.2
604.17194	2.0
605.16290	1.3
606.02686	0.4
607.03180	23.1
608.03583	1.2
622.05536	100.0
623.05841	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	622.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97106	0.5
54.03458	0.5
55.49150	0.6
68.99756	0.9
71.04929	2.0
81.03341	0.6
82.21089	0.7
91.05463	1.2
94.35555	0.6
99.04333	0.7
103.05460	5.7
105.03342	1.6
108.17567	0.8
111.51272	0.6
112.14890	0.7
115.05424	0.8
124.03898	1.5
125.04201	0.8
131.04922	16.4
138.01802	1.1
144.04391	0.7
148.03867	1.1
153.01746	0.8
160.03897	1.9
166.01262	1.5
166.99649	1.2
167.02057	0.7
169.01224	1.1
172.03897	1.5
174.05466	1.0
178.01334	4.8
178.04904	1.6
184.03911	0.7
186.05437	1.1
188.03407	1.1
189.01726	0.8
190.04883	1.6
192.02852	1.5
194.04387	0.9
198.01677	0.7
200.03418	3.9
202.01323	1.4
202.04909	2.1
204.02879	0.8
205.03693	1.3
206.04472	0.7
212.03275	1.8
214.04929	2.2
216.02815	1.7
217.01259	0.7
218.00865	0.7
218.04428	4.7
220.02342	1.3
226.04951	1.5
228.02856	6.7
230.04454	3.4
234.03906	1.0
240.02942	4.4
242.04466	25.2
243.04625	0.8
244.02394	3.5
246.04053	6.5
254.04428	2.3
256.02301	1.7
258.01511	0.8
258.03995	12.9
266.04483	1.4
268.02393	20.0
270.03891	2.7
272.01767	1.7
280.02414	0.9
280.05930	1.2
281.02878	1.1
282.04013	3.5
282.07483	2.6
284.01895	1.9
285.02249	0.7
286.03442	8.2
290.02878	0.9
294.03946	0.9
296.01828	1.9
298.03259	0.6
302.03018	1.1
304.09604	1.0
306.07712	0.9
308.01697	1.1
310.03415	16.9
311.03415	1.0
312.01117	0.7
314.02750	0.8
326.02942	1.5
328.04425	1.8
330.02304	1.1
336.01379	8.0
338.02924	31.2
339.03412	1.2
344.09131	1.2
346.10678	4.8
354.02274	7.6
356.03821	4.4
362.10187	6.6
364.01013	0.9
372.03601	2.6
372.08588	10.9
382.01883	5.4
386.10251	1.1
388.08289	1.2
390.09610	2.2
400.03186	7.4
400.08041	1.4
412.08215	1.6
414.09613	5.0
415.09818	0.9
422.12180	0.7
430.09006	1.1
440.07584	10.3
441.08069	1.5
442.09192	44.3
443.09525	1.8
458.08649	5.3
468.07196	1.9
476.09869	3.1
486.08176	45.9
487.08487	1.2
518.10791	100.0
519.10883	3.8
536.12744	1.0
547.45319	0.7
562.16052	2.6
580.16003	3.9
590.15179	1.9
622.17023	83.8
623.17474	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	622.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98721	0.7
54.48868	0.8
56.96565	0.8
73.02928	0.8
87.04460	12.0
89.06033	2.7
93.06979	0.8
95.04944	1.5
98.97634	1.2
100.11265	2.1
102.06712	0.9
102.09185	1.4
105.07012	6.9
119.08579	1.6
121.06519	2.2
131.08549	0.9
133.08647	0.9
197.13301	0.9
304.70978	0.7
405.15738	0.7
499.13699	1.4
499.20868	17.7
522.91113	0.8
534.16309	2.4
622.24054	100.0
623.24261	4.6
640.24377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70372	0.6
55.37741	0.5
59.04998	100.0
60.05331	0.6
62.39001	0.5
64.57523	0.6
69.41269	1.6
69.41679	0.9
70.06577	0.6
73.02924	1.1
73.06548	4.8
87.04459	17.6
89.06025	80.0
90.06364	1.0
103.07573	76.8
104.07893	1.3
107.07056	1.5
112.28901	0.6
113.05983	0.8
117.09132	4.3
131.07025	3.1
133.08595	46.1
134.08955	0.9
147.10147	30.5
172.88733	0.5
175.09599	2.2
177.09735	1.1
177.11203	16.9
177.83676	0.5
191.12778	2.1
219.12260	0.9
221.13762	2.3
239.14790	0.7
252.39619	0.6
265.16296	0.9
283.17456	0.6
300.69434	0.6
311.20715	0.6
317.29752	0.5
381.35342	0.5
397.70691	0.5
605.37207	2.8
622.39056	5.1
623.22302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42893	1.3
70.96769	1.9
73.44899	1.3
74.88625	1.3
85.02896	1.7
91.93394	1.4
95.48677	1.3
107.37262	1.2
107.41172	1.3
116.08086	1.4
118.82616	1.2
131.04961	3.1
137.06010	2.6
151.03903	5.5
172.92439	1.3
179.34189	1.3
186.96373	17.1
204.97432	26.0
218.99011	8.3
222.98512	1.8
226.75560	1.3
271.05872	2.3
285.07758	1.5
291.02634	96.8
292.02872	1.5
308.95892	1.3
309.03729	23.3
323.05249	100.0
324.05353	1.8
365.28860	1.5
375.14429	2.6
438.00601	1.6
490.16367	1.3
494.33722	5.5
622.38678	22.3
623.27417	2.1
623.38446	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	623.1241
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
64.09462	0.1
68.99753	0.3
69.79380	0.2
69.79769	0.2
71.01313	0.3
73.02885	0.3
85.02901	0.6
95.01296	0.4
95.04926	0.2
97.02878	0.1
98.22643	0.1
103.03930	0.1
103.04861	0.1
103.05455	1.3
105.02777	0.1
105.03381	1.3
105.04476	0.1
113.02323	0.3
119.63981	0.1
123.00793	0.5
129.03351	0.2
131.03375	0.1
131.04881	0.1
141.01787	0.6
141.06953	0.2
147.04413	0.1
151.00255	0.1
151.05092	0.1
159.02858	0.2
169.01312	2.7
169.06580	0.1
173.05907	0.2
194.97069	0.1
197.05972	0.2
201.05469	0.2
215.07033	0.3
225.05449	0.5
253.04961	0.2
255.06534	0.2
270.05057	0.3
271.05981	100.0
272.06323	3.6
285.07587	0.2
375.14264	0.1
447.09210	7.0
448.09567	0.3
623.12378	3.4
623.22711	0.2
624.12598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85051	0.2
57.03419	0.2
60.01196	0.1
60.38549	0.1
63.54277	0.2
70.06570	0.1
71.01347	0.4
73.02910	0.4
76.42350	0.1
85.02911	2.0
95.01321	1.0
95.04955	0.1
97.02869	0.2
99.00791	0.3
100.19578	0.1
103.05453	1.5
105.03404	0.7
113.02354	0.5
123.00793	4.4
131.03377	0.4
140.03403	0.8
141.01813	1.8
141.03822	0.2
144.66269	0.1
151.03896	0.2
159.02908	0.5
169.01346	1.4
169.06532	0.2
169.69498	0.2
197.05916	0.2
221.14659	0.2
225.05447	1.1
229.05014	0.4
253.04956	2.0
270.05219	0.9
270.07715	0.1
271.05991	100.0
272.06329	3.8
285.07635	1.1
313.10983	0.1
343.23578	0.2
346.17218	0.2
447.03314	0.2
447.09189	3.5
448.09567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66502	0.3
64.25617	0.4
68.99814	0.4
70.15965	0.8
80.08944	0.3
81.04538	1.3
85.02912	1.1
95.91791	0.3
97.02942	0.5
100.07601	0.6
103.05468	1.5
105.03403	0.4
105.50912	0.3
109.02927	0.4
131.04938	3.4
168.05737	0.7
177.02977	1.4
178.15930	0.4
179.04689	0.5
195.11200	0.3
203.04596	0.8
221.05626	0.3
229.02588	0.6
231.04059	0.8
241.04955	0.5
242.05682	0.7
247.03494	2.6
249.05066	0.4
269.04376	0.6
270.05231	51.8
271.05829	2.0
285.07574	100.0
286.07913	2.2
423.58887	0.3
461.10770	5.0
487.40714	0.4
501.08694	0.5
519.10242	1.4
622.31439	0.4
623.05878	0.7
628.19861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43314	0.9
79.96117	0.6
81.00043	0.6
81.03430	0.7
84.77876	0.8
85.02908	1.7
91.05479	0.8
95.04939	0.7
97.02892	0.8
105.03385	1.0
113.55499	0.7
116.77741	0.7
131.04961	1.9
135.83887	0.7
151.03882	2.0
163.03920	4.5
164.04103	0.8
168.05786	0.8
179.04900	0.8
270.05225	59.5
271.05960	11.7
285.07574	100.0
286.04883	1.2
286.07935	2.4
301.06891	0.9
375.14603	1.9
461.10764	5.1
577.55597	0.8
597.55627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
61.92946	0.2
69.03402	0.2
71.41673	0.2
81.07063	0.3
84.04482	0.3
85.02891	0.3
89.06021	0.4
91.05480	0.5
97.02883	1.5
100.11255	0.3
101.10325	0.2
107.04945	0.6
108.02101	1.8
109.02892	0.3
109.20226	0.2
117.07000	0.2
119.04919	0.6
121.02926	0.3
135.08057	0.8
136.01555	0.6
137.02339	0.5
138.05479	0.4
147.04390	0.8
150.40649	0.2
153.01910	0.3
154.02620	0.9
163.03944	1.0
163.07523	2.1
166.09067	0.2
167.03429	0.2
169.06326	0.2
169.57648	0.2
172.68709	0.2
175.03949	0.7
178.06244	9.2
179.07040	1.9
181.04964	1.7
183.02951	0.3
187.07646	0.2
188.31563	0.2
191.07106	0.3
193.12373	0.2
197.05972	1.0
207.06479	1.5
209.08093	0.6
213.05452	0.2
215.07050	0.3
216.28911	0.2
220.09711	0.9
225.05464	0.9
227.07050	0.5
243.06551	1.7
251.09111	0.4
253.04971	0.5
255.06619	0.4
258.08908	0.2
269.04343	0.3
270.05298	0.6
271.06052	0.9
281.04605	0.3
284.03253	0.3
286.08316	1.8
297.03778	0.3
298.04666	1.5
299.05371	1.2
305.00562	0.7
313.07150	0.2
314.07809	23.1
315.04953	0.3
315.08188	0.9
316.05673	0.2
317.06537	1.1
326.04141	2.2
327.04419	0.2
330.07178	1.0
331.08115	1.1
341.06760	0.3
342.07318	16.6
343.04129	0.3
343.07864	0.9
344.05252	0.7
345.06107	0.7
357.20276	0.4
359.07593	9.3
360.08365	9.8
375.10715	100.0
376.11069	3.8
579.27380	0.9
623.16095	0.7
623.25964	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	623.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49607	1.2
54.03470	1.5
56.07312	1.1
58.20589	1.3
60.46319	1.2
68.99794	4.3
69.03445	1.3
69.95635	4.0
72.97903	1.3
77.84718	1.1
78.70301	1.2
81.04547	24.5
82.05325	2.9
88.06567	1.2
90.00143	1.2
91.05489	5.5
95.04982	3.1
98.23381	1.4
103.05467	35.7
105.04478	6.0
105.07038	2.0
106.05304	2.0
107.06091	3.1
109.03264	2.9
109.04006	52.4
111.05552	7.3
119.04945	5.3
119.06078	1.8
119.08547	1.4
124.03936	1.5
131.04929	100.0
132.05305	2.0
134.04782	3.0
135.05531	12.5
137.03458	4.1
147.04419	6.3
147.05460	1.3
151.05046	1.6
153.02959	2.2
155.45647	1.2
159.05534	1.7
161.03467	32.1
161.04808	1.6
163.05005	13.9
165.01779	1.4
173.03479	2.2
174.04346	1.5
175.03934	9.1
177.02959	3.0
177.06642	2.4
179.04561	4.6
185.00854	4.3
187.05025	3.2
189.02983	3.5
201.03018	1.3
202.03793	2.3
203.04533	14.8
205.02623	7.1
205.06079	27.8
207.06540	14.7
215.04567	2.8
217.02650	2.1
219.03973	2.5
221.00865	1.7
223.03508	2.4
227.04425	2.9
229.02475	2.6
231.04010	38.6
239.04462	1.4
247.03508	5.1
249.05115	3.3
255.04068	4.1
255.06531	2.2
257.01886	2.6
257.05612	2.9
259.03564	2.0
267.03964	1.4
267.06555	2.5
271.05972	3.3
283.03555	5.1
289.09708	3.4
291.11115	1.5
293.09229	2.4
297.07660	5.0
307.03409	2.1
307.10718	5.4
311.02991	2.6
317.09113	8.3
321.07419	1.7
323.02747	3.0
325.04114	1.9
325.07541	1.7
329.03912	2.2
335.03354	1.9
335.10233	44.8
336.10797	1.5
345.08578	1.6
351.02414	2.8
351.09738	1.6
353.03937	4.0
353.11127	2.8
369.03827	1.5
381.09610	1.4
387.09744	2.7
397.03137	3.6
399.10791	1.5
411.09302	1.3
415.03915	3.4
415.09174	1.8
417.11893	1.8
429.10498	2.6
439.08997	3.4
455.08585	4.5
457.10236	18.2
473.09760	3.4
475.11325	3.8
483.08130	10.6
501.09311	21.1
519.10449	9.3
528.30353	1.4
531.16638	1.8
559.15198	3.0
561.16125	2.4
569.13635	1.8
577.16571	1.6
587.14337	10.0
605.15363	9.5
623.17401	9.3
642.27319	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	623.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	1.6
69.34808	1.2
69.35220	2.4
70.06584	0.8
78.03452	1.7
80.05022	1.3
81.04533	9.8
86.79355	0.7
91.05482	1.1
93.04536	0.7
95.04977	0.8
95.06093	1.3
102.36913	0.6
103.05466	9.9
103.62521	0.6
105.04509	12.0
106.05309	4.9
107.06081	6.2
109.03994	5.2
117.04491	1.1
118.05267	3.4
119.06094	3.3
121.03967	5.0
123.05586	0.8
131.04924	24.2
132.03207	1.7
133.03954	7.9
134.02403	1.2
134.04774	1.8
135.05530	13.7
145.03951	1.0
146.04742	1.3
147.04404	3.1
147.05525	6.7
149.03429	1.2
151.05032	2.4
152.03497	0.8
161.03453	62.0
162.03822	0.6
163.04953	3.7
166.99710	0.8
168.02943	0.7
169.01259	1.6
173.03517	0.9
174.01886	1.0
174.04208	3.3
175.05052	4.6
177.02925	5.7
179.04553	2.6
185.00819	1.2
187.05119	1.0
189.02951	2.3
191.04471	2.5
193.06070	1.0
201.02995	2.7
202.03711	7.1
203.02380	2.3
203.04498	53.9
204.02899	2.5
205.06343	1.0
213.02951	15.6
215.04646	0.9
217.02472	1.8
219.04004	11.9
221.05589	10.8
229.02432	57.3
230.03123	12.5
231.03990	61.6
232.04240	0.9
247.03491	31.6
248.04259	11.4
249.05057	57.6
250.05281	0.8
258.04044	1.0
265.09686	1.0
270.07678	1.1
271.05896	1.3
271.08557	1.0
273.07611	1.5
275.02985	1.7
291.02802	1.0
307.10782	2.5
311.02951	1.1
317.09213	2.1
321.03662	0.9
323.10312	2.2
324.98181	0.8
333.08676	2.9
334.09442	5.8
335.10229	100.0
336.01242	0.9
336.10501	4.8
342.98990	7.3
345.02963	0.7
351.09622	4.9
353.11337	1.6
354.02460	1.2
356.96924	0.9
358.98239	1.3
360.99863	4.6
371.99231	1.6
372.03415	1.1
372.39667	0.7
372.99930	1.6
375.98538	0.8
378.09747	1.4
389.05484	1.2
415.03973	2.0
473.09842	0.9
474.07938	2.5
501.09320	3.3
519.10333	5.4
537.10974	0.8
578.13977	2.6
581.01782	0.8
605.14923	1.5
606.13470	0.8
623.03101	7.1
623.16290	4.1
624.03394	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
57.07074	1.1
67.05511	2.3
69.07068	1.4
69.07959	3.0
69.08379	4.0
72.89836	0.8
79.05482	2.3
81.07067	3.5
87.04461	1.2
89.06028	1.7
90.47893	1.0
91.05470	2.1
93.07043	2.5
95.04971	2.1
95.08598	3.1
105.07024	16.6
105.57968	0.8
106.07414	1.4
107.08600	2.3
109.06564	1.4
109.10151	1.4
119.08556	2.5
121.10122	1.3
130.08607	0.9
131.08585	2.2
133.10080	2.0
135.11670	1.0
145.10115	1.8
147.11653	1.6
159.11679	1.4
186.55743	1.0
201.16399	1.5
225.68405	1.0
278.92181	1.0
345.71640	0.9
348.15353	1.2
358.15439	0.9
374.13412	1.0
391.19131	2.9
392.19800	1.2
393.20663	2.2
401.17920	1.1
404.20874	1.1
405.20877	2.7
406.21552	2.0
407.22293	11.9
419.22406	2.0
420.23044	2.9
421.23856	13.9
422.24695	4.6
429.20966	4.3
430.21628	2.1
431.18533	1.5
432.19254	1.2
433.19836	1.5
434.24960	1.4
443.22827	2.3
444.23123	2.6
445.20331	1.5
449.22726	1.4
457.24023	1.7
458.25290	4.5
459.22006	5.7
460.22400	2.0
461.18860	4.8
462.20233	1.3
463.21118	2.5
470.21161	1.0
472.22595	4.5
473.24036	1.8
475.21030	8.8
476.21301	8.7
477.22345	5.3
485.23495	8.3
486.19592	1.9
488.22104	1.9
489.22836	6.2
499.21240	11.9
500.21805	2.7
503.24490	15.6
504.24689	1.5
505.22244	1.7
507.23740	1.3
508.28455	1.7
513.22821	3.4
514.23773	2.6
515.24530	3.2
517.27087	5.6
518.22858	1.7
521.25189	2.2
529.26154	1.9
535.27118	12.8
545.25470	44.1
546.25885	1.7
549.24945	1.1
563.26086	3.6
564.27161	4.0
573.25000	11.4
574.24890	1.3
577.27863	2.6
591.26160	2.4
605.27509	20.9
623.28516	100.0
624.29022	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20908	4.4
69.38055	25.5
72.41967	3.9
74.49950	3.8
89.06059	6.7
90.09013	4.7
117.05901	3.9
122.41120	4.4
150.57866	5.0
176.84975	4.9
391.18918	6.1
407.22086	10.5
421.23697	16.0
429.20932	6.6
443.22104	5.5
458.24744	6.0
459.22202	7.1
461.19159	5.8
472.22165	6.9
475.21005	11.8
485.23233	14.4
486.20706	7.3
503.24319	10.5
513.22546	8.3
517.25671	10.0
545.25415	100.0
556.16980	5.7
573.25085	21.5
605.27570	93.1
606.27466	5.1
623.28589	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01863	3.7
55.05510	20.6
57.03434	8.1
57.07066	2.6
59.05008	2.8
61.02922	36.4
65.03915	3.4
66.32113	2.2
67.05502	53.9
69.03432	12.2
69.07059	16.8
71.04987	5.1
71.43002	2.1
73.02911	10.5
74.53300	2.3
78.03468	3.0
78.81089	2.0
79.05488	42.4
81.03410	8.8
81.07054	39.3
83.04989	3.1
83.08609	15.9
85.02903	30.7
85.06564	3.6
85.10172	2.7
86.10545	2.1
87.04456	5.2
89.06033	4.3
91.03947	13.9
91.05473	58.6
93.07045	36.9
93.07596	3.1
95.04974	17.2
95.08601	28.0
97.02890	20.4
97.06536	7.4
97.10170	5.7
99.04462	3.2
99.08099	3.2
103.05467	5.3
105.04495	4.4
105.07021	58.8
106.02917	10.6
107.04961	8.9
107.08578	18.7
109.02887	4.3
109.06516	8.6
109.10177	10.5
111.08111	4.3
111.43689	2.1
115.05471	8.1
116.06246	3.4
117.07017	39.3
119.08587	19.4
121.02798	3.6
121.06508	9.3
121.10128	13.3
123.08048	3.2
123.11684	2.9
124.03947	29.0
125.09584	3.4
127.01582	6.0
127.03922	7.9
128.06209	11.6
129.06999	44.8
129.07867	4.0
131.04895	3.7
131.08557	46.1
133.06505	7.4
133.08646	4.5
133.10130	17.5
135.08073	6.6
135.11702	4.7
136.31157	2.4
139.11166	2.8
141.06969	19.7
142.07799	4.2
143.08568	30.0
145.04948	2.4
145.06529	8.8
145.10150	24.5
147.08047	6.2
147.11728	7.2
149.09605	7.3
150.57292	2.4
154.07867	3.2
155.08560	27.7
157.06511	3.8
157.10133	20.9
159.08060	7.7
159.11702	13.2
161.09586	3.7
163.11252	4.6
165.07054	4.6
166.07837	2.4
167.08574	17.0
168.09317	3.2
169.10098	16.9
171.01178	2.7
171.08086	4.0
171.11697	13.2
173.09621	4.8
173.13205	4.0
175.11159	5.5
177.12746	4.7
179.08594	6.6
181.10089	16.0
183.11702	15.7
185.09723	3.4
185.13271	11.4
187.14847	3.5
189.12712	3.8
193.10182	8.0
195.11679	15.2
197.13208	11.4
199.11154	4.0
199.14873	3.7
201.12788	4.5
203.14362	3.9
205.12166	3.3
207.11769	5.8
209.13232	8.4
211.14818	6.2
213.12889	3.7
213.16365	3.9
215.14337	7.7
221.13275	9.6
223.14906	12.5
225.12651	3.0
235.14893	6.0
239.14304	6.7
241.15994	5.4
243.17307	3.3
251.14197	3.2
253.15965	4.0
255.17493	3.9
257.15387	3.7
271.16913	4.8
285.18771	3.0
301.13919	2.3
305.22769	5.0
315.20956	3.1
323.23688	11.3
333.22214	14.7
341.24704	7.7
351.23181	55.8
359.26010	3.2
369.24243	39.0
387.25134	19.4
425.26926	9.9
443.27908	100.0
443.34146	5.0
444.28098	4.3
461.29010	68.0
499.25885	4.2
525.15167	2.7
545.26239	6.0
563.27466	11.6
605.28857	2.4
623.26898	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.4
67.05487	40.1
69.07069	26.6
69.27873	80.9
75.23499	16.8
79.05478	37.0
81.07043	70.8
83.08658	15.3
87.04451	20.7
89.06013	14.6
91.05473	45.7
93.07044	24.0
95.04944	17.8
95.08600	66.0
97.06853	13.0
97.70444	14.9
105.07060	100.0
107.08609	42.9
110.20541	15.7
114.88432	15.6
117.97054	15.3
119.08568	36.8
121.10150	17.7
123.08061	16.4
126.41724	15.6
131.04819	17.8
131.08493	23.3
133.10110	38.9
143.08560	18.8
145.10112	22.0
145.54567	17.2
147.11668	22.4
161.13200	20.3
173.13257	20.0
175.14865	16.2
190.12643	16.2
201.16365	23.4
211.55392	14.5
260.48154	14.7
416.02173	15.6
572.78149	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	624.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77586	0.6
65.03938	2.1
65.98608	0.6
67.05497	1.4
70.06573	1.0
71.42648	0.6
74.83009	0.7
79.05486	7.4
80.05018	1.6
80.78789	0.6
83.27685	0.6
84.41773	0.8
85.20554	0.6
86.09685	1.0
89.03927	1.2
91.05459	4.0
92.05021	1.1
93.05772	1.4
93.07046	5.6
94.06559	9.6
95.04962	1.3
96.08145	1.0
103.05457	7.4
105.05776	1.6
106.06568	1.4
107.07315	1.1
108.04433	1.6
108.08117	15.1
110.06052	1.0
110.09688	1.4
112.94033	0.7
116.04966	6.7
118.06548	4.8
119.07320	2.1
120.04459	8.6
120.08096	43.2
121.02825	0.7
122.06035	14.5
122.09638	2.2
124.07565	1.7
127.83923	0.7
132.08093	1.1
134.06003	2.4
136.07567	25.7
138.05469	9.6
138.09120	3.0
144.04448	10.6
144.07976	0.8
146.05998	12.6
148.03940	2.6
148.07562	100.0
149.07907	1.5
150.05516	3.7
150.09126	2.5
152.07063	1.8
158.06102	0.7
160.03938	1.5
160.07527	1.0
162.05479	6.5
164.07050	2.7
166.04994	7.1
166.08647	7.7
167.07329	1.1
172.03929	40.8
174.05460	2.8
176.07043	1.2
178.04979	1.0
180.06638	1.1
181.08875	1.0
184.09955	1.6
185.10678	1.3
186.05472	2.0
188.07076	2.5
190.04980	21.2
192.06506	1.2
194.09653	1.0
195.09145	1.2
196.09862	1.6
197.10730	2.9
198.11510	1.3
204.06548	25.5
206.08092	0.8
207.09045	1.0
208.09711	4.1
209.07254	0.8
209.10768	4.1
210.11288	0.8
211.08618	1.7
211.12289	2.5
212.09424	5.1
213.10208	1.9
216.06537	2.6
218.04539	1.6
220.07478	0.8
221.10750	1.2
222.07909	2.5
222.11551	2.8
223.08620	3.3
223.12355	2.2
224.07266	1.0
224.09325	6.4
225.10222	8.9
226.10989	3.0
227.11761	6.3
234.07532	1.6
234.11588	0.7
235.08652	2.8
236.09293	5.4
237.10228	21.1
238.10922	4.7
239.08058	3.4
239.11679	5.8
240.08904	1.3
241.09715	5.1
248.09528	0.9
249.10226	2.6
250.07323	2.1
250.11055	2.0
251.08055	3.8
251.11786	12.5
252.08684	37.1
252.12671	1.9
253.09697	13.4
253.13353	2.7
255.11264	10.6
257.12848	0.7
261.10257	1.0
263.08087	1.4
263.11780	2.3
264.08929	2.5
265.09708	28.9
266.10452	4.6
267.11264	5.1
268.08359	0.8
269.12811	1.6
271.10809	4.6
273.12277	1.0
277.09753	1.7
278.06561	15.1
278.10336	2.1
279.08127	1.1
279.11267	17.3
280.08414	2.8
280.11569	1.7
281.09219	3.3
281.12830	5.3
282.10083	0.8
283.10696	7.7
284.11496	1.1
285.12292	3.1
287.14066	0.9
289.09558	1.6
292.08145	3.5
293.09186	25.4
294.09836	3.7
295.10645	2.8
296.11551	1.9
297.12314	9.0
299.10220	3.9
299.13870	1.9
300.11087	1.5
307.10742	11.2
309.12238	3.8
311.10327	3.3
311.13455	1.0
312.11011	5.3
313.11716	5.6
314.12762	0.7
315.13416	0.9
316.14417	1.6
323.10275	1.4
325.11786	15.2
327.13406	3.3
330.15842	1.7
333.14682	1.6
335.10239	11.6
339.09671	1.2
339.13477	6.9
340.10611	2.6
340.14438	0.8
341.11356	16.9
341.15097	0.7
342.11874	0.9
344.13904	1.3
353.11279	20.1
354.12009	0.7
355.14471	1.0
356.13788	0.8
359.12360	3.5
367.12698	1.1
372.17090	1.4
373.13962	2.8
385.14008	5.4
390.17972	1.0
400.16458	1.5
411.11810	12.5
416.19446	1.6
418.17523	1.8
419.18222	1.1
429.12823	1.2
432.18921	3.0
442.17474	2.7
443.14304	2.6
444.19254	1.7
447.18390	1.1
448.18600	0.8
460.18637	15.1
461.19202	1.4
470.16760	2.5
478.19556	0.9
488.18134	55.3
489.18521	3.2
502.18936	0.8
506.19156	8.0
507.19876	2.2
520.20398	2.8
523.19244	1.1
530.19116	1.7
543.20190	1.1
548.20209	3.7
551.18896	10.8
551.77783	0.8
553.59692	0.7
564.19849	7.5
574.18262	6.6
584.22064	0.8
592.19220	52.2
593.19379	3.1
606.20654	1.2
624.21484	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	624.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27600	0.6
53.03937	2.0
55.01860	2.2
57.03423	1.7
59.83245	0.7
60.90268	0.6
61.02913	1.1
65.49241	0.7
68.99777	0.8
69.03423	8.0
70.58625	1.3
70.68418	0.6
71.04991	1.2
73.02890	1.8
79.05472	1.9
81.03404	7.9
81.07037	0.8
85.02900	19.5
87.00832	8.2
91.05482	3.9
93.06995	0.8
94.04166	2.0
97.02887	7.1
99.04447	2.6
103.05460	1.7
105.01862	6.0
105.07037	5.6
107.04956	1.0
109.02884	8.6
109.06511	2.2
110.14400	0.7
115.03918	1.3
115.05441	2.7
117.01839	1.0
117.07024	2.2
119.08571	2.4
121.06487	1.4
122.03637	6.5
127.03905	13.8
128.06236	1.3
129.01828	1.4
129.06975	1.7
131.04936	1.8
132.05666	1.5
133.06477	4.3
137.05963	100.0
138.06300	1.1
145.04964	5.8
145.06488	2.0
146.03606	1.0
147.02747	0.7
147.04440	1.1
147.08011	3.0
149.05963	4.2
151.03928	1.3
151.07509	1.6
159.02863	5.2
159.08054	2.9
160.05138	1.7
161.05965	16.8
163.03854	1.8
169.06444	1.3
175.07532	25.1
179.07036	1.3
187.07500	9.9
189.07146	0.7
190.07809	3.1
191.06989	1.2
191.08556	8.3
193.08577	1.2
199.07610	4.0
202.07799	1.5
203.08553	2.4
207.08089	1.0
217.08498	1.1
218.07240	1.9
219.08028	12.4
219.10135	0.5
220.08803	2.2
229.08598	1.4
231.05003	2.7
231.08051	3.0
232.08807	0.8
235.07452	0.9
236.08287	3.3
247.07497	4.8
248.08321	1.7
249.09093	1.2
251.10663	20.7
253.08578	1.1
259.07553	2.1
260.08331	2.1
261.09244	1.3
263.10770	2.2
264.07874	1.6
265.08551	1.5
275.10416	0.7
276.08093	0.9
277.08524	1.1
279.10141	15.1
280.10806	1.3
281.08240	1.1
291.10110	7.0
292.10919	1.7
295.09723	0.8
296.10336	2.2
303.10034	1.1
308.10345	1.6
309.11316	1.7
311.12747	46.6
312.13220	1.0
321.11200	2.2
323.12732	15.3
325.08432	1.0
333.11353	2.2
335.01401	0.8
335.12820	3.2
341.13852	5.2
347.12769	0.9
353.13672	3.4
359.12482	1.4
365.13727	1.1
377.13779	1.3
401.13898	3.6
419.14658	1.4
505.15063	1.0
523.15784	1.6
541.17096	1.7
559.18018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27600	0.6
53.03937	2.0
55.01860	2.2
57.03423	1.7
59.83245	0.7
60.90268	0.6
61.02913	1.1
65.49241	0.7
68.99777	0.8
69.03423	8.0
70.58625	1.3
70.68418	0.6
71.04991	1.2
73.02890	1.8
79.05472	1.9
81.03404	7.9
81.07037	0.8
85.02900	19.5
87.00832	8.2
91.05482	3.9
93.06995	0.8
94.04166	2.0
97.02887	7.1
99.04447	2.6
103.05460	1.7
105.01862	6.0
105.07037	5.6
107.04956	1.0
109.02884	8.6
109.06511	2.2
110.14400	0.7
115.03918	1.3
115.05441	2.7
117.01839	1.0
117.07024	2.2
119.08571	2.4
121.06487	1.4
122.03637	6.5
127.03905	13.8
128.06236	1.3
129.01828	1.4
129.06975	1.7
131.04936	1.8
132.05666	1.5
133.06477	4.3
137.05963	100.0
138.06300	1.1
145.04964	5.8
145.06488	2.0
146.03606	1.0
147.02747	0.7
147.04440	1.1
147.08011	3.0
149.05963	4.2
151.03928	1.3
151.07509	1.6
159.02863	5.2
159.08054	2.9
160.05138	1.7
161.05965	16.8
163.03854	1.8
169.06444	1.3
175.07532	25.1
179.07036	1.3
187.07500	9.9
189.07146	0.7
190.07809	3.1
191.06989	1.2
191.08556	8.3
193.08577	1.2
199.07610	4.0
202.07799	1.5
203.08553	2.4
207.08089	1.0
217.08498	1.1
218.07240	1.9
219.08028	12.4
219.10135	0.5
220.08803	2.2
229.08598	1.4
231.05003	2.7
231.08051	3.0
232.08807	0.8
235.07452	0.9
236.08287	3.3
247.07497	4.8
248.08321	1.7
249.09093	1.2
251.10663	20.7
253.08578	1.1
259.07553	2.1
260.08331	2.1
261.09244	1.3
263.10770	2.2
264.07874	1.6
265.08551	1.5
275.10416	0.7
276.08093	0.9
277.08524	1.1
279.10141	15.1
280.10806	1.3
281.08240	1.1
291.10110	7.0
292.10919	1.7
295.09723	0.8
296.10336	2.2
303.10034	1.1
308.10345	1.6
309.11316	1.7
311.12747	46.6
312.13220	1.0
321.11200	2.2
323.12732	15.3
325.08432	1.0
333.11353	2.2
335.01401	0.8
335.12820	3.2
341.13852	5.2
347.12769	0.9
353.13672	3.4
359.12482	1.4
365.13727	1.1
377.13779	1.3
401.13898	3.6
419.14658	1.4
505.15063	1.0
523.15784	1.6
541.17096	1.7
559.18018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01864	5.5
57.03430	2.8
60.65707	1.3
61.02905	2.6
64.34023	1.1
65.03928	1.1
66.36112	1.0
67.35094	1.0
68.99794	1.3
69.03413	10.5
69.22766	2.0
69.23174	4.2
71.04984	2.7
72.79725	1.0
72.80173	1.1
73.02921	2.8
79.05479	1.8
81.03416	12.0
85.02899	25.2
87.00822	9.1
91.03934	1.1
91.05474	2.5
94.04174	3.3
97.00331	1.1
97.02890	14.7
99.04443	5.6
101.54032	1.1
103.05459	1.9
105.01864	8.4
105.07046	2.4
106.06548	10.1
109.02866	8.6
109.06493	1.9
115.05448	4.9
117.01836	2.0
117.07021	1.6
119.04950	1.7
122.03634	5.1
127.03908	24.0
129.06993	5.8
131.04947	3.9
133.06453	1.5
137.05966	100.0
143.04944	6.4
144.05672	1.6
145.04951	11.1
145.06583	1.2
147.04469	1.6
151.03865	1.1
151.07527	3.0
154.19359	1.1
155.04880	1.7
157.06497	3.7
159.02840	5.6
159.08017	1.5
160.05208	14.2
161.05969	6.6
163.07552	3.5
172.05219	2.2
175.07536	81.9
176.07913	1.4
179.07036	1.5
187.07533	36.6
189.09071	7.3
191.08580	3.9
199.07545	2.0
201.09148	1.2
202.07738	1.6
203.08551	2.7
205.08594	17.6
211.07463	1.5
217.08656	4.7
219.08162	6.2
219.10063	1.6
229.04788	1.3
229.68880	1.1
231.04976	4.9
231.07994	3.5
232.08902	1.4
235.09633	19.4
239.06961	2.1
247.07626	2.5
248.08247	1.6
251.10594	7.2
259.07605	2.4
263.10687	5.0
264.07916	1.6
265.08588	1.1
270.08896	2.0
271.09750	5.3
274.23810	1.3
276.07816	2.3
277.08389	1.0
279.10135	8.4
280.10919	1.1
283.09503	1.8
287.05536	2.9
291.10083	8.2
292.10712	1.8
311.12732	17.4
323.12769	8.5
325.14233	1.8
341.13748	15.5
354.40091	1.4
359.14490	1.2
550.42926	1.1
604.21704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
53.21141	2.2
55.05510	3.7
55.53788	2.3
57.03437	38.9
57.82251	2.1
61.02921	7.7
69.03421	3.1
71.04971	2.0
71.43385	2.5
78.00372	2.4
81.03398	4.3
85.02895	6.4
95.04927	2.0
97.02882	2.8
97.66253	2.2
99.04449	17.4
103.03939	12.8
105.07050	5.1
107.04929	2.7
109.02909	10.3
115.05471	4.9
115.66265	2.1
117.05489	100.0
118.05785	2.2
118.53817	1.9
122.27193	2.3
123.04379	2.8
124.03920	4.7
127.03918	20.8
128.06287	2.6
129.06990	6.3
133.06494	4.0
137.05954	4.3
138.05505	3.9
145.02783	2.0
147.04442	3.7
151.03934	4.8
153.05504	5.1
157.08578	5.9
159.08044	6.4
161.05974	7.3
167.07053	21.9
175.07552	6.6
178.07773	2.5
181.05055	3.1
183.06523	3.5
187.07486	19.5
191.07010	5.6
199.07608	6.7
201.07579	33.3
206.07225	3.5
217.08415	2.1
219.08618	23.7
221.09604	4.8
233.09686	2.4
234.06810	2.9
235.07433	3.7
247.07593	3.2
248.08366	2.6
249.09056	9.7
251.06927	2.7
263.06958	2.3
265.08569	3.5
277.08466	6.5
279.06253	2.6
281.11688	12.0
283.09799	2.7
287.79263	2.5
293.07910	3.5
294.08978	3.3
308.10492	2.5
309.11176	13.8
310.11758	2.3
311.08981	4.0
321.11099	7.2
326.11508	17.8
338.00790	2.3
338.11438	2.5
339.12357	12.4
340.13013	19.9
341.13800	78.8
342.14078	5.6
352.12924	4.8
353.13730	9.3
358.13614	3.8
415.17542	41.2
439.17432	3.1
523.19421	4.2
541.20428	3.9
624.23376	15.2
625.27661	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	624.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01867	0.6
55.05505	15.4
57.03424	0.6
57.07068	5.3
59.05003	0.7
65.03950	0.6
67.05496	12.2
69.07072	28.5
71.04983	1.2
71.08624	2.6
73.02878	0.6
73.06551	1.2
79.05482	7.3
81.07049	18.4
83.04973	1.4
83.08612	17.6
85.06525	1.1
85.10149	1.3
87.04458	7.3
89.06023	100.0
90.06355	1.2
91.05473	8.2
93.07039	8.4
95.04951	1.6
95.08595	16.7
95.43797	0.4
97.06533	2.7
97.10160	13.1
99.08104	1.1
101.06021	0.6
103.05476	1.3
105.07021	22.1
106.07374	1.2
107.07040	2.4
107.08582	6.8
109.06503	0.8
109.10149	8.7
111.08079	1.6
111.11697	5.9
113.83186	0.5
115.07547	0.9
117.01886	0.7
119.08566	6.9
121.06489	2.7
121.10123	4.8
122.78165	0.5
123.08045	1.5
123.11700	3.3
125.00018	0.9
125.09613	1.3
125.13252	1.8
127.01547	2.0
129.06886	0.5
129.09062	0.6
130.08621	1.4
131.07007	1.9
131.08514	0.6
133.08592	70.0
133.10049	5.9
134.08917	1.0
135.11684	3.6
137.09589	1.8
137.13193	1.3
139.01506	1.6
139.11157	0.8
139.14761	1.0
147.08051	0.9
147.11641	4.6
149.09584	0.8
149.13240	2.8
151.09732	0.6
151.11147	2.1
151.14760	0.8
153.03148	3.1
153.12776	0.9
161.13237	4.5
163.14803	2.6
165.12756	2.0
165.16420	0.8
167.08742	0.5
167.14377	1.2
169.12224	0.7
175.14822	2.0
177.11209	25.7
178.11620	0.6
179.14258	2.5
179.17900	1.3
181.15790	0.7
189.16335	1.8
193.15849	1.9
195.12242	1.7
207.17473	1.6
221.13799	4.1
221.22610	0.8
229.33577	0.5
239.14868	4.9
245.22603	6.8
259.82101	0.6
263.23672	8.0
283.17383	5.4
307.26331	4.4
309.19028	0.5
327.20090	66.4
328.20435	2.0
426.55591	0.5
519.40912	0.5
527.37250	0.8
624.80341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65816	3.5
56.96556	12.5
65.09857	2.8
98.97575	65.0
103.84781	3.3
107.47495	3.5
116.98615	46.1
119.01969	4.4
134.99649	23.6
138.34538	3.1
153.00725	4.2
166.33406	3.3
177.00958	6.7
219.02019	9.4
232.96648	8.9
250.97751	7.7
256.96707	13.3
257.97003	3.1
258.99796	25.4
260.00052	5.3
261.00220	4.8
261.03030	30.3
262.03241	6.4
263.02814	7.3
274.97687	53.3
275.97906	4.6
277.00858	42.6
278.01056	5.0
279.00681	6.9
282.99997	21.0
284.00156	6.8
284.99777	4.9
288.92139	9.6
290.95673	4.2
292.98691	13.2
298.97690	58.7
299.97745	5.1
301.01035	36.4
302.01242	7.7
303.00854	5.2
314.95761	4.6
316.98779	100.0
317.98990	4.0
334.99777	3.8
354.93753	19.1
370.91653	3.6
372.91183	10.9
372.95172	5.0
378.93387	4.2
396.94867	31.3
397.94888	6.4
398.98029	3.9
401.01633	3.3
406.95972	3.1
410.89233	6.8
412.92578	8.5
413.92371	6.2
414.92032	6.2
416.99057	15.9
420.94714	4.5
425.00891	7.3
428.90396	3.7
429.89963	4.4
430.89459	3.9
434.95816	3.3
438.95709	6.5
440.98907	34.0
443.01849	11.3
444.02219	3.7
445.02045	4.1
456.93466	4.1
458.99902	38.6
459.99655	5.2
494.91599	4.3
496.92255	3.4
518.91235	10.7
519.91742	3.6
534.89264	3.8
535.89490	3.7
536.92706	18.5
554.90442	4.7
564.99127	73.9
565.41437	4.3
565.99475	7.5
574.41010	3.6
582.92999	4.2
583.00183	49.5
584.00214	5.2
612.86371	5.6
624.87860	6.2
624.98651	6.8
625.89685	3.6
642.90973	49.5
643.90680	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	625.1399
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
61.02924	0.5
67.87418	0.3
69.03436	1.5
70.06563	0.4
78.90669	0.3
81.03415	0.7
85.02914	2.4
89.11485	0.3
97.02882	0.8
99.04426	0.3
107.04926	1.4
118.06709	0.3
123.00790	0.3
127.03912	0.6
130.35486	0.3
131.04918	0.3
135.04411	1.0
145.04977	0.3
151.03894	1.1
153.01822	16.0
163.03900	0.4
168.00725	0.3
169.01384	0.4
240.22409	0.3
241.04932	0.3
269.04593	0.4
287.05487	100.0
288.05814	3.1
297.03973	0.6
330.54013	0.3
331.01306	0.3
338.62964	0.3
383.39539	0.3
449.10910	4.3
463.08719	9.9
463.70602	0.4
464.08807	0.3
625.13538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	0.5
67.87418	0.3
69.03436	1.5
70.06563	0.4
78.90669	0.3
81.03415	0.7
85.02914	2.4
89.11485	0.3
97.02882	0.8
99.04426	0.3
107.04926	1.4
118.06709	0.3
123.00790	0.3
127.03912	0.6
130.35486	0.3
131.04918	0.3
135.04411	1.0
145.04977	0.3
151.03894	1.1
153.01822	16.0
163.03900	0.4
168.00725	0.3
169.01384	0.4
240.22409	0.3
241.04932	0.3
269.04593	0.4
287.05487	100.0
288.05814	3.1
297.03973	0.6
330.54013	0.3
331.01306	0.3
338.62964	0.3
383.39539	0.3
449.10910	4.3
463.08719	9.9
463.70602	0.4
464.08807	0.3
625.13538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1764
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
56.22165	1.8
57.03433	3.9
61.02909	2.0
63.19258	1.6
69.03426	2.8
70.02902	1.8
70.06609	1.8
70.26618	1.5
81.03412	3.2
85.02895	11.0
97.02903	2.3
99.17062	1.9
107.04937	2.4
108.02021	1.9
109.02905	3.3
111.04417	2.4
119.04980	2.2
121.02831	2.8
123.00756	2.0
135.04443	4.2
137.02304	5.8
149.05969	11.9
151.03908	52.0
151.04988	2.9
152.04167	1.9
161.02324	2.3
163.03905	3.7
175.03932	3.9
177.01991	2.4
179.03247	2.0
189.01881	8.2
191.03394	5.5
195.02917	4.9
199.04021	1.9
201.01823	2.7
203.03407	4.6
207.02907	6.8
211.04085	2.0
217.04945	4.2
219.02899	7.2
221.04469	2.5
229.04921	5.6
231.02910	2.6
233.04523	3.9
255.02904	3.3
257.04437	2.2
258.97241	1.9
283.06042	2.1
287.05475	53.9
295.06018	3.7
296.06787	4.4
297.07526	2.9
298.08398	3.6
301.07114	2.8
308.06689	3.2
309.04013	3.9
309.07520	3.1
310.04782	12.2
310.08102	3.6
311.05548	3.7
311.09100	3.9
312.06326	6.2
313.06995	7.7
321.07553	3.4
322.04562	8.7
323.05453	7.5
323.09116	3.4
324.06311	22.5
325.07037	67.2
326.07779	9.1
327.08707	9.4
334.04617	3.9
334.08322	3.9
336.06241	12.0
337.07068	50.1
337.10324	1.7
338.07803	17.5
339.08685	11.7
340.05853	4.4
343.08463	4.1
349.06888	6.3
350.07803	8.0
351.08615	24.0
352.05673	7.4
352.09390	8.2
353.06308	3.2
353.10266	4.2
355.08078	100.0
356.08701	7.2
359.09412	2.5
360.06128	3.3
361.06885	2.7
362.07886	6.0
363.08734	5.8
364.05664	2.9
365.06317	2.6
365.10251	14.6
366.07367	4.9
367.08099	54.0
376.05331	3.0
377.10184	6.4
377.14713	2.5
379.08041	28.4
381.09747	20.6
385.09134	22.6
389.06342	2.6
390.07202	2.5
391.07999	14.9
393.09659	6.8
395.11081	10.7
397.08969	2.5
403.07840	3.9
405.09753	9.0
409.09171	55.6
410.09241	2.6
415.08035	4.4
417.09793	2.6
419.11307	3.5
421.09131	23.8
423.10608	3.9
429.09399	3.1
431.11435	2.6
433.09171	23.0
439.10147	42.5
445.09445	2.9
451.10226	27.4
457.11292	40.7
463.09158	7.9
469.11270	34.0
475.11304	6.2
487.12305	89.0
488.12643	4.5
493.11005	7.6
505.13257	13.0
511.12384	24.4
523.12463	4.0
529.13458	19.1
535.12140	8.5
541.13324	22.7
542.14044	2.4
553.13422	28.3
559.14337	8.1
571.14459	29.8
572.14404	2.4
589.15613	21.7
590.16882	2.2
607.16370	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	625.1759
Annotation	Nervilifordin B
Peak:m/z	Relative Intensity
51.66418	0.3
57.13143	0.3
61.02942	0.4
65.03922	0.5
69.03421	1.5
69.70471	0.6
69.70821	0.9
81.03421	0.9
85.02901	2.3
91.05482	0.5
93.03381	0.5
97.02859	0.8
108.02084	0.3
109.02855	0.5
111.04458	0.7
117.11800	0.3
119.04942	0.6
121.02843	1.1
125.06006	0.3
127.03893	0.7
131.04921	0.3
140.01045	0.6
145.04897	0.4
151.03899	18.3
151.04991	1.4
152.04179	0.4
159.63348	0.4
168.00516	3.7
169.01335	0.5
169.04948	0.7
170.73442	0.3
181.01772	0.4
181.04936	0.6
183.02875	5.4
186.01605	2.2
190.98692	0.3
200.86208	0.3
215.58748	0.3
225.10045	0.3
258.05219	0.9
268.03564	0.7
269.04376	0.5
276.81161	0.3
285.03885	0.8
286.04678	19.3
287.05453	9.1
288.05811	0.4
295.08093	0.8
301.07037	100.0
302.07391	3.7
313.09137	1.0
337.06802	1.5
350.68387	0.4
403.70105	0.3
411.18427	0.4
463.12366	9.7
464.13055	0.4
505.11252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	4.2
69.21788	14.8
70.49192	2.1
79.19054	2.3
83.01360	2.2
91.05483	6.7
98.23574	4.6
100.03963	2.6
103.05470	34.4
103.18316	2.8
105.03366	2.6
106.52936	2.4
108.04552	2.4
115.05457	19.0
120.04437	2.8
131.04922	100.0
138.01851	8.2
142.06499	8.8
148.03922	2.7
155.04880	2.5
162.05621	2.6
165.01790	2.4
166.01341	12.2
166.99834	2.9
167.02139	8.6
168.02910	11.7
169.01257	4.0
170.05972	6.3
178.01338	8.2
179.03433	7.4
180.03001	3.7
182.05977	3.5
185.03299	2.5
188.03372	2.9
190.04987	4.0
192.02917	10.1
200.07085	2.6
202.01382	4.9
202.05019	3.4
204.02934	3.9
212.07039	7.5
213.05519	3.6
216.02904	3.7
218.00859	11.2
220.02388	8.5
225.05385	3.9
230.04474	8.6
232.02370	2.7
238.04932	6.8
240.02965	5.1
241.04900	3.0
242.04495	4.2
244.02484	6.4
252.06499	3.2
254.04347	2.9
254.08124	3.4
255.06618	14.9
256.06140	8.4
258.03970	29.8
268.02338	10.1
270.04059	4.6
270.07593	7.1
271.08252	5.5
272.01819	4.6
272.09137	6.0
280.02805	4.9
280.06061	43.2
282.07449	5.2
284.01913	3.8
286.03452	7.4
288.01443	8.3
290.07880	3.0
298.03421	7.5
298.06970	2.7
299.00357	3.1
302.02954	3.3
302.07870	3.0
304.52127	2.8
306.02356	4.6
308.01859	4.2
310.03479	4.9
316.00995	5.0
317.01614	8.0
318.02121	6.5
318.07697	4.4
322.07059	4.8
324.04764	2.9
326.02872	4.9
336.01346	27.9
353.04077	6.7
354.02304	13.0
360.12268	2.6
362.10187	40.7
364.00839	4.1
372.03757	2.8
372.08713	5.8
381.03427	5.0
384.08026	3.7
384.12317	36.3
392.07623	9.8
402.09750	4.0
407.12393	5.2
410.08820	3.3
412.08060	7.0
414.09738	3.0
420.07129	11.1
421.07898	13.0
422.08752	10.0
430.09161	8.2
440.07602	24.9
442.09174	7.2
457.10010	7.3
458.02264	4.5
458.08670	63.8
459.08792	6.1
468.06992	10.1
476.09702	45.7
477.10013	5.8
484.10406	5.3
485.09827	19.6
486.08316	22.1
503.10922	31.3
504.10013	3.9
516.14435	4.8
521.11871	45.6
524.13379	29.7
525.13940	17.8
526.14917	31.5
544.13922	49.1
545.14240	5.4
546.15002	3.0
561.16248	10.4
562.14874	31.8
589.16034	69.5
590.14661	52.2
591.15155	3.8
607.17029	38.5
608.15930	5.7
625.18457	14.4
626.17377	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	625.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80851	1.6
56.67290	2.1
58.51918	1.7
68.99798	4.9
69.49516	8.7
83.01329	3.6
91.05463	6.0
95.04935	2.1
103.05463	37.4
104.97866	1.7
105.06994	2.6
105.75722	1.9
110.02407	2.2
115.05473	7.7
124.01534	2.6
125.60322	1.7
131.04922	100.0
132.05287	2.5
138.01843	15.2
140.03444	3.5
142.06529	2.3
142.99133	1.9
147.41222	1.6
148.03947	2.6
150.01845	2.9
151.02641	3.1
152.00996	2.9
152.03413	3.1
153.01787	3.3
155.04936	2.2
166.01331	16.5
166.99796	3.5
167.02161	14.3
168.02937	13.8
169.01263	3.1
173.05925	2.5
174.77155	1.7
178.01363	11.3
179.02132	3.5
179.03429	17.6
179.08517	2.6
180.02965	2.2
184.02428	4.5
185.03185	4.6
190.05011	2.9
191.02083	3.2
192.02843	13.8
193.03729	2.7
199.03867	4.2
202.01350	5.4
203.99174	2.8
204.02994	3.5
207.01665	5.1
212.03404	3.1
212.07097	5.7
213.05450	3.2
214.05081	3.4
216.02898	5.0
218.00903	5.4
220.02333	5.9
221.03149	2.9
225.05515	5.3
228.02896	3.0
230.00755	2.1
230.04469	7.5
232.02409	2.2
233.03094	1.9
240.02924	7.9
240.06587	1.9
241.04855	2.6
242.04498	5.0
242.08134	4.5
244.02386	7.2
246.00345	1.8
246.03931	1.9
255.06537	19.5
256.02505	1.8
256.07227	3.7
257.08151	5.6
258.03995	34.5
260.01910	2.9
261.02609	3.0
262.03384	2.9
268.02573	11.9
270.03961	6.7
270.07608	13.2
271.08362	8.1
272.01877	5.4
272.09091	11.8
280.02725	3.1
280.06036	14.9
282.04282	2.6
282.07541	8.9
286.03439	5.6
288.01382	10.1
289.02066	2.4
293.01620	3.3
294.11362	2.2
296.09067	2.4
298.00266	2.8
298.03497	9.7
298.06479	2.0
300.01495	3.5
302.03000	2.5
302.08029	4.2
305.38132	2.1
306.02432	6.3
306.07452	2.0
308.01804	3.8
310.03467	3.3
311.02872	2.7
316.01004	3.4
317.01685	11.8
318.02237	4.2
320.09171	3.2
322.07010	5.2
326.02850	5.0
334.07022	2.2
336.01413	29.0
336.08228	2.1
338.02896	2.8
339.02951	2.4
348.08420	2.9
353.04169	2.3
354.02435	17.9
354.09439	2.8
356.09039	2.2
362.10208	43.5
362.14572	3.8
363.10312	2.2
364.00839	4.1
372.03970	3.1
372.08624	8.1
376.08221	2.0
381.03662	2.4
384.08255	2.5
384.12415	16.3
390.40094	2.1
392.07602	9.8
397.08075	4.0
398.70984	2.0
402.05493	2.4
402.10013	3.7
403.06711	3.1
407.12445	4.4
410.08646	3.3
412.08081	8.1
420.07147	11.5
421.07898	28.6
422.08606	10.8
426.12885	2.4
428.11465	2.5
430.09265	9.9
440.07599	32.0
441.07831	2.7
442.09003	3.8
457.10440	6.7
458.08685	83.5
459.09006	5.0
468.07477	8.6
476.09760	38.8
477.09711	2.6
484.10178	5.9
485.09644	18.2
486.08228	14.4
496.13797	3.6
503.10849	31.5
504.09857	6.2
516.14282	10.4
521.11896	44.1
524.13373	34.7
525.14185	44.2
526.14789	19.9
544.13849	55.6
545.14526	2.2
561.16473	4.5
562.14893	37.9
563.15283	2.2
572.13544	8.6
589.07434	2.7
589.16034	35.5
590.14490	40.2
607.16901	35.9
608.16156	7.5
625.08215	3.4
625.18066	48.7
626.18170	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	625.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
68.00327	1.8
68.99776	2.8
70.93770	1.8
81.03412	1.9
83.01305	1.7
88.30551	1.4
91.05485	4.7
92.37182	1.3
95.04903	1.5
98.02337	1.3
98.90148	1.4
103.05462	34.1
103.06113	3.0
105.03409	1.7
105.07027	2.6
109.02865	2.6
109.48292	1.4
111.03259	1.9
115.05433	7.8
122.02362	1.5
129.07011	2.1
131.04921	100.0
132.37526	1.5
138.01869	6.2
140.03391	2.7
142.06557	1.9
150.01880	1.6
152.01022	1.8
152.03505	2.4
155.04942	3.3
163.02661	1.8
166.01344	11.2
166.99806	2.3
167.02148	10.7
168.02881	11.1
170.06067	1.9
172.04051	1.5
176.86494	1.3
178.01366	6.8
179.02054	2.8
179.03441	8.7
180.02892	2.4
184.02451	4.3
184.07620	1.7
185.03122	3.1
190.01332	3.8
190.04990	1.5
191.02124	2.9
192.02878	7.4
193.03673	2.0
196.02402	2.9
198.09036	2.0
199.03918	5.5
202.01387	2.4
208.02460	1.6
212.03465	2.3
212.07030	18.4
213.05536	3.5
214.04984	1.4
216.02922	3.2
218.00833	8.4
220.02444	5.4
223.07463	3.4
225.05550	3.5
228.03024	1.5
230.04594	5.3
230.08003	1.8
232.02599	1.5
235.07599	1.9
238.05112	2.5
240.02983	2.5
241.05006	9.0
242.04416	3.2
242.08153	2.2
244.02422	4.9
248.02008	1.9
254.08107	3.3
255.06522	9.3
256.02499	1.4
256.06271	2.3
257.08029	2.0
258.03970	19.0
260.05267	1.5
261.02649	1.8
262.03497	1.9
266.08167	1.5
268.02435	5.4
270.04138	3.0
270.07635	8.3
271.08392	4.1
272.02011	3.0
272.09146	8.3
274.08646	2.8
280.02695	2.2
280.05988	23.2
282.04037	2.1
282.07480	3.0
286.03574	2.5
288.01517	4.9
291.06735	1.7
294.07736	1.6
295.08524	2.1
296.08990	3.5
298.00217	1.5
298.03445	8.3
298.07007	2.4
302.08136	2.8
306.02518	4.8
308.02063	1.9
310.03445	2.6
311.03043	2.3
316.00800	2.2
317.01712	6.7
320.09213	1.9
322.07028	16.9
324.08868	1.7
326.03015	4.8
336.01376	17.9
336.08539	12.0
348.08582	2.4
354.02454	9.9
362.10178	28.9
364.00992	1.5
372.03741	1.6
372.08459	3.4
374.10080	3.2
382.02371	1.8
384.12357	31.4
390.09750	1.9
392.07733	4.9
402.09961	6.9
403.06564	2.6
407.12445	2.8
410.08798	2.8
412.08286	4.5
414.09674	1.9
420.07135	5.8
421.07822	18.1
422.08505	4.5
426.13257	20.1
426.18637	2.2
430.09171	9.0
440.07617	18.2
442.09183	3.1
452.11331	1.9
457.10162	2.6
458.08673	46.6
459.08679	2.8
468.07098	5.4
476.09799	25.5
484.10260	3.0
485.09668	11.7
486.08185	14.2
496.13669	2.0
503.10806	20.4
516.14600	3.8
521.11926	23.4
524.13342	20.9
525.14093	24.7
526.14661	11.9
544.13776	32.5
545.14172	2.6
562.14960	21.0
563.15070	2.3
572.13489	5.1
581.18365	1.8
589.16150	18.5
590.14404	37.8
591.14990	1.9
607.17065	58.0
608.16119	7.1
625.18042	57.3
626.18500	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	625.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03305	0.2
55.01856	0.4
57.03421	0.7
69.03426	2.2
69.05656	1.1
69.06056	0.4
71.04708	0.2
71.04997	2.3
71.88485	0.2
72.53313	0.3
73.02914	0.3
79.05502	1.1
81.03406	2.2
83.04973	0.5
85.02903	4.8
87.00822	0.3
89.03915	5.4
91.05479	0.9
93.07014	0.2
95.04954	0.5
97.02886	1.4
97.52589	0.3
98.22711	0.6
99.04439	0.6
100.07616	0.3
100.11271	0.4
105.07016	0.5
107.04967	1.4
107.35487	0.2
109.02878	1.2
111.04415	0.8
115.05491	0.4
117.02566	0.4
117.03375	6.5
117.06976	0.2
119.04925	0.4
122.03629	0.2
123.04414	0.7
127.03905	1.5
128.04233	0.3
129.05460	0.8
129.07008	0.3
131.04945	0.4
133.06448	0.5
135.04407	13.2
137.05977	5.4
138.06302	1.0
145.02843	11.0
145.03738	0.2
146.03249	0.3
147.04364	0.5
147.89531	0.2
149.05989	0.9
151.03914	2.3
151.07520	0.9
161.06004	1.4
162.06377	0.3
163.03896	100.0
164.04219	2.1
165.05466	1.4
173.05922	0.4
175.07535	1.1
176.07893	0.6
177.05510	0.3
179.07063	1.1
181.04962	3.1
182.05322	0.2
182.15408	0.3
185.06082	0.3
187.07553	0.4
189.05447	0.4
191.03467	0.2
191.06947	0.3
191.08528	0.3
193.04976	0.3
199.07640	0.3
203.07043	0.7
205.08559	0.2
213.48738	0.3
217.08534	0.3
219.08028	0.3
220.08412	0.3
221.08122	0.6
227.07028	0.3
245.08138	1.0
247.09631	1.1
248.08017	0.4
251.10684	0.3
252.11024	0.4
263.09189	0.5
273.07581	0.5
279.10135	0.3
280.10489	0.5
281.10416	0.3
287.05582	0.4
290.88547	0.2
291.08499	0.4
307.08160	1.8
309.09671	1.2
311.12741	0.7
312.13025	1.5
323.12543	0.3
324.13116	0.4
325.09198	3.9
331.15402	0.3
336.13315	0.3
370.20056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2124
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
57.03429	1.6
58.52499	0.3
62.77398	0.3
63.02367	0.5
69.03423	2.6
70.06582	0.8
70.50314	0.5
71.04990	7.8
79.05478	0.8
80.22557	0.3
81.03406	1.1
83.04974	0.6
85.02901	10.0
88.47537	0.3
89.03902	3.5
97.02888	4.0
107.04935	1.3
109.02924	0.3
111.04446	0.5
117.03388	5.1
123.04385	0.4
127.03892	0.7
127.38773	0.3
129.05473	2.8
135.04411	12.1
136.04666	0.4
137.05989	0.4
145.02834	9.4
147.04440	0.7
147.06503	0.9
151.07439	0.4
161.05933	0.3
163.03891	100.0
164.04282	1.7
165.05453	0.8
169.13403	0.3
179.07002	0.9
181.04913	1.6
197.12862	0.4
203.07138	0.4
217.08629	0.4
219.10164	0.4
245.08156	0.5
247.09506	0.4
263.09137	0.5
269.04437	0.3
273.07541	0.4
287.05450	4.1
291.08435	0.3
307.08102	0.6
309.09634	1.3
325.05319	0.6
325.09143	11.2
326.09576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01867	1.2
55.05514	1.9
65.03912	1.8
66.38522	0.8
67.05505	2.5
69.03416	5.9
69.07069	1.0
69.65363	0.7
70.93307	1.2
71.62945	0.9
73.02914	1.0
77.20387	0.8
79.05503	2.6
81.03413	100.0
81.07053	3.0
82.50679	0.9
83.04996	1.6
85.02919	1.2
85.06534	0.9
89.06032	1.0
91.05466	7.7
93.07028	2.2
95.04964	3.0
95.08611	2.7
97.02896	2.5
103.05445	1.3
105.07037	7.0
107.04938	1.6
107.08596	3.9
109.02869	39.5
109.06552	1.2
110.03219	1.0
111.04510	1.9
115.33782	0.9
117.07030	6.1
119.08572	7.5
119.46835	0.9
121.02858	32.7
121.06506	1.7
123.08049	1.4
124.03889	0.9
127.03912	29.0
128.06219	2.0
129.06979	4.0
131.08562	8.2
133.06441	1.4
133.10135	1.6
135.08080	8.2
139.03897	19.1
141.06970	1.8
142.07770	3.3
143.08548	6.6
144.09267	1.0
145.06470	2.0
145.10091	8.2
147.08070	1.3
155.08485	4.3
156.09312	4.3
157.06512	0.9
157.10115	8.0
159.08023	1.4
159.11653	6.1
161.09589	0.9
161.13266	1.0
163.07518	1.7
165.06918	1.3
166.07809	1.0
167.07123	1.0
167.08606	2.1
168.09421	0.9
169.10118	3.4
170.10887	1.4
171.07961	1.4
171.11676	9.2
173.09724	1.8
173.13249	20.0
175.11176	2.0
175.14810	1.9
179.08472	1.1
181.08607	1.5
181.10118	2.0
183.11624	2.0
185.09677	1.3
185.13272	5.4
187.11188	1.3
189.09224	1.2
189.12764	3.3
191.10541	1.0
191.14290	0.9
192.09241	1.6
193.10110	2.3
195.11674	2.0
197.09659	1.4
199.11221	2.5
200.12570	0.9
201.12717	3.4
203.14366	2.7
206.10844	0.9
207.11763	1.5
209.09702	1.2
213.12834	1.4
217.12279	2.3
219.11774	1.5
219.13689	5.1
231.13930	1.9
255.78824	0.9
259.13351	1.1
265.07019	3.6
281.15384	2.3
299.16336	1.3
309.14838	2.2
327.15823	3.5
345.16931	3.1
357.16724	1.2
445.18381	2.6
457.16666	0.8
465.18747	1.0
477.18958	1.3
501.21194	1.3
543.22272	27.8
544.22278	1.7
565.20215	9.0
590.16180	1.0
624.37933	1.7
625.22382	23.3
626.22961	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03452	0.8
54.58246	0.8
56.05014	1.1
60.05615	3.1
62.21537	0.8
65.03908	1.1
67.05477	1.1
68.99786	3.8
70.06588	3.9
71.43078	1.0
72.05619	0.8
73.06400	1.8
79.05483	1.7
81.07057	0.8
84.04494	8.0
89.03905	1.3
91.05474	11.1
94.06551	2.0
95.04952	1.6
96.04449	1.4
97.02861	1.0
101.07118	2.4
103.05470	13.3
105.03392	6.3
105.04446	0.9
105.06995	1.9
107.04936	1.3
110.02354	1.0
110.06024	1.3
111.05523	2.4
112.08700	1.2
115.05433	1.6
121.02848	1.1
122.06015	0.9
128.08177	0.9
128.89117	0.8
130.09752	2.0
131.04919	34.1
137.05989	1.8
137.06990	0.8
138.01846	16.1
138.05521	1.5
140.03494	1.9
141.07001	0.9
145.02809	2.4
146.06006	1.3
147.00787	0.8
147.04391	3.2
151.03963	0.9
154.09692	1.6
156.02866	1.2
162.05479	1.8
163.00255	1.1
163.03886	24.6
164.07126	0.9
165.01825	3.6
166.01343	26.9
167.01881	0.8
168.02927	10.3
169.01294	3.5
171.38351	0.7
172.03923	2.3
173.02319	3.1
177.01878	1.0
178.01324	1.8
179.08427	0.9
180.06506	2.2
181.04984	3.0
184.02414	4.2
185.00859	1.3
190.04968	100.0
190.99690	1.4
191.03377	25.4
191.05167	2.1
193.01295	2.1
197.06010	0.9
200.83591	0.8
202.07774	2.7
203.08493	2.6
204.17447	0.8
205.01253	1.1
207.02817	1.3
208.02419	2.2
208.06004	2.8
209.00731	1.8
209.09685	1.6
213.00246	1.2
214.99777	3.4
215.04501	22.5
220.02231	0.9
221.00792	1.2
222.08704	1.9
223.02458	1.6
225.00305	2.0
225.05399	8.4
226.07097	0.8
230.04436	1.8
230.99231	1.2
231.08043	11.2
232.07196	2.1
233.00789	3.4
234.06688	0.9
235.02377	1.1
237.00249	1.6
242.08113	7.1
242.99263	1.2
245.00783	1.0
248.10823	1.5
249.00351	2.3
249.09097	2.8
250.08563	1.4
252.10179	3.2
259.07474	4.6
261.00357	0.8
267.10080	7.4
270.07584	51.8
271.08228	2.0
272.09103	9.1
273.00250	1.1
273.07578	1.3
276.10138	2.4
277.08572	26.5
278.08823	1.2
283.06033	2.5
288.99796	4.5
290.12930	3.3
294.11206	37.1
295.09476	1.3
298.03735	1.2
298.06943	0.9
298.98196	5.5
312.12277	1.7
316.99066	7.3
319.06616	1.0
319.10706	10.3
322.03442	2.6
326.14993	2.9
335.00327	1.1
336.09100	1.6
336.13321	10.4
337.13986	1.3
340.04495	1.4
354.09863	1.0
354.14185	1.6
377.14380	4.7
384.12222	0.9
401.11249	1.7
403.04657	2.8
421.05557	9.5
426.09735	2.7
438.08234	0.9
439.06668	0.9
444.10385	1.1
479.11142	1.3
507.10672	5.7
521.16553	3.4
525.11884	4.5
530.15936	2.3
547.18640	3.2
548.16669	1.2
589.20886	3.7
607.21832	27.6
608.21161	5.8
625.04926	1.9
625.22864	70.4
626.23071	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	625.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
57.70876	0.9
67.05483	1.2
69.16354	6.0
70.27484	1.3
81.07076	1.8
86.06053	3.0
87.04478	6.8
93.07032	1.2
104.07079	10.0
105.07024	2.0
119.08588	1.7
124.03952	9.0
145.10211	1.6
159.11584	1.5
171.11752	1.4
197.13228	1.2
258.43472	1.0
300.06351	1.3
318.25552	1.2
359.08072	1.1
420.19742	1.1
455.20380	42.6
456.20670	4.0
480.43381	1.2
543.25598	100.0
544.25867	3.8
600.53979	1.2
625.24347	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	625.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.2
51.40744	0.1
52.99911	0.1
53.03938	0.4
54.40621	0.1
55.05503	0.3
58.09385	0.1
67.05499	0.5
68.02643	0.3
68.05004	0.1
69.03425	0.4
69.07066	0.4
69.34595	0.3
69.35006	0.5
78.03442	1.0
79.01834	0.1
79.05481	0.6
80.05013	5.5
81.03405	0.2
81.07040	0.6
83.04960	0.8
85.02899	0.6
87.04473	0.3
89.06013	0.5
91.05479	0.7
93.07040	1.1
95.01353	0.2
95.04960	0.5
95.08588	1.5
96.04490	4.5
96.90988	0.1
97.02850	0.2
99.00816	0.4
99.04432	0.2
105.07026	1.3
106.02914	1.3
107.08591	1.2
109.06535	0.4
109.10080	0.3
111.03652	0.3
111.04431	6.8
112.04765	0.2
113.06016	0.2
117.06996	0.4
119.04857	0.2
119.07736	0.3
119.08547	2.1
121.06495	0.2
121.10134	0.5
123.04439	0.3
123.08073	0.2
124.03941	100.0
125.04271	0.9
125.05996	0.3
127.03901	0.4
129.07005	0.5
130.07852	0.2
131.03384	0.2
131.08566	1.1
133.06558	0.2
133.08609	0.2
133.10130	0.8
135.08049	0.4
135.11676	0.3
139.03885	15.5
140.03348	0.3
141.05428	0.3
141.06992	0.2
142.07793	0.6
143.08557	1.1
144.09309	0.3
145.06500	0.2
145.10112	2.1
147.08055	0.4
147.11678	0.4
149.09639	0.5
153.05472	0.7
155.07115	0.1
155.08527	0.5
156.09344	1.0
157.05045	0.3
157.10127	1.8
158.10852	0.4
159.08018	0.3
159.11697	1.5
161.09598	0.2
161.13226	0.4
163.11044	0.2
165.07039	0.3
167.07115	0.2
167.08537	0.3
169.10081	0.9
170.10907	1.0
171.08081	0.3
171.11652	1.9
172.12463	0.2
173.09636	0.9
173.13245	3.2
175.11183	0.3
177.16391	0.2
179.08542	0.5
180.09262	0.2
181.10100	0.9
182.10919	0.2
183.08034	0.3
183.11646	1.0
185.09645	0.4
185.13232	2.0
187.11180	0.4
187.14801	2.5
189.12749	0.2
189.16307	0.2
193.10136	1.0
194.10904	0.3
195.11722	1.0
196.12332	0.8
197.13252	0.9
198.13951	0.4
199.11205	0.5
199.14796	1.2
201.09180	0.3
201.12674	0.3
201.16396	1.2
203.14223	0.4
205.10242	0.2
205.15880	0.4
207.11729	0.7
208.12468	0.4
209.09605	0.4
209.13214	0.7
211.07530	0.3
211.11224	0.3
211.14793	3.2
212.15285	0.2
213.09111	0.2
213.12723	0.3
213.16339	4.6
215.14294	0.4
217.10165	0.3
220.12431	0.3
221.13255	0.7
222.13959	0.4
223.11171	0.3
223.14774	1.0
225.16354	0.4
226.13382	0.2
227.10692	0.3
227.14250	0.2
229.15854	0.9
232.12428	0.4
233.13081	0.3
235.11217	0.2
235.14822	0.6
236.15543	0.2
237.09077	0.2
237.16336	1.4
238.09865	0.2
239.14285	0.3
241.12140	0.2
241.15823	0.4
243.10263	0.2
247.14813	0.9
248.00134	0.2
250.13464	0.3
251.14246	0.5
253.15912	0.4
254.16576	0.7
255.13835	0.3
255.17432	1.3
260.11960	0.3
261.11267	0.2
265.15863	1.7
269.11746	0.4
272.17737	0.2
275.14273	0.7
281.15213	0.2
283.16855	1.5
285.14883	0.2
293.15280	1.6
295.16879	0.3
297.18488	0.6
301.17978	0.7
307.16946	1.7
311.16422	0.5
313.17868	0.2
315.19504	0.2
319.19302	0.2
325.17932	1.9
343.18997	1.9
361.20074	5.3
379.21027	0.3
484.23132	0.4
502.24561	1.3
522.26080	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	625.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33569	1.7
55.01848	1.7
55.05505	2.2
55.54782	1.8
61.81444	1.7
67.05499	4.0
69.07040	2.4
78.03448	2.8
79.05486	5.5
80.05023	1.9
81.03410	67.7
81.07047	4.8
83.04962	2.2
83.08640	2.7
91.05470	4.1
93.07027	7.2
95.04940	3.2
95.08591	5.7
96.04466	3.3
96.77905	1.8
97.02874	5.3
103.60287	2.1
105.03394	3.7
105.07030	11.9
105.81403	2.2
106.02930	3.8
107.08585	2.8
109.06502	2.3
109.10126	2.7
115.03917	2.5
116.92357	1.7
119.08584	10.5
121.10120	3.5
121.69493	2.0
123.08032	2.3
124.03949	100.0
125.04194	2.0
127.01570	2.9
129.05472	3.2
129.06984	1.9
131.08575	5.0
133.10097	5.9
134.07962	1.6
134.47423	2.0
141.05475	33.2
141.06720	2.3
141.06952	2.0
143.08537	6.6
145.10104	8.5
147.11714	2.5
155.08522	5.1
156.09386	4.4
157.10092	12.6
159.08051	1.8
159.11720	4.2
167.08606	2.6
169.10025	8.6
170.10861	4.4
171.11699	13.2
173.13251	7.4
175.11160	2.7
179.08511	2.2
181.10097	6.1
183.11697	13.9
184.12535	2.6
185.09572	2.1
185.13274	9.1
187.11169	2.4
187.14803	9.7
193.10100	5.7
195.11697	4.7
196.12439	4.5
197.13228	10.6
198.13954	2.0
199.14890	6.3
201.16428	2.7
207.11662	5.6
208.12495	3.2
209.13228	6.2
211.11229	2.9
211.14774	21.9
213.16388	21.2
219.11755	3.4
220.12520	8.4
221.13222	5.4
223.14793	4.5
225.12816	3.8
225.16319	9.2
229.15831	3.9
234.14043	7.1
235.14784	19.7
237.16411	2.7
239.17851	2.5
249.16348	22.0
253.15829	12.3
267.17438	9.1
271.16895	3.7
277.15808	3.1
295.16953	11.8
297.18533	2.6
299.19974	2.1
309.18454	11.6
313.18021	5.9
327.19513	22.3
345.20596	39.4
436.20923	4.5
468.23474	2.5
617.26654	2.1
625.24677	5.1
648.85358	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	626.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56512	1.4
65.03936	2.5
68.99809	4.9
69.03453	1.7
70.06595	3.5
81.03409	2.7
83.01312	1.6
84.08142	4.8
86.03539	2.0
90.76994	1.5
91.05483	4.1
94.60438	1.7
95.01353	2.2
95.04964	2.6
95.40564	1.8
97.02935	1.8
103.05464	35.4
103.06102	2.5
103.13779	1.6
104.05804	3.1
105.03402	5.0
105.07068	2.7
107.43414	1.5
107.48470	1.9
109.02888	3.6
110.02423	2.4
111.03226	2.2
115.05453	12.5
116.05819	2.9
121.02895	2.7
127.07412	3.9
128.08223	6.6
129.07063	1.7
131.04921	100.0
132.05298	7.8
137.02351	2.5
138.01851	12.1
140.03433	4.7
142.06555	3.6
147.04463	1.9
155.04913	2.4
165.01884	3.8
166.01349	15.0
167.02156	12.6
168.02831	8.2
169.01352	1.9
170.06064	4.5
173.06010	1.8
176.60884	1.6
177.01894	1.6
178.01343	9.2
179.02077	3.2
179.03461	11.5
180.02933	4.1
184.02466	5.1
185.03227	6.0
190.01358	2.7
190.05089	6.1
191.02122	4.6
192.02878	9.2
196.02515	3.1
202.01381	2.7
204.03030	4.4
205.01424	2.1
206.00920	2.4
206.04482	1.9
207.01706	2.0
210.05492	2.0
212.07129	8.4
213.00343	3.8
217.98875	1.4
218.00963	6.9
218.04518	3.0
220.02481	4.9
221.03143	2.7
222.04033	3.9
223.02443	3.9
225.05499	1.8
230.04478	2.8
234.04030	2.6
238.06300	3.3
241.04959	10.5
242.04593	3.5
244.02602	2.8
249.02722	2.0
250.07216	2.9
254.08318	2.3
255.06519	17.1
256.07022	5.3
258.03937	9.1
261.02548	2.2
270.04538	2.1
270.07773	7.1
271.08389	7.3
272.02017	3.9
272.09232	3.7
280.06003	17.4
281.06528	4.9
282.04074	2.6
282.07758	5.7
286.03479	3.4
288.01523	4.7
289.02130	2.0
292.06049	2.8
293.01685	1.8
298.03574	5.2
298.06970	2.6
302.03198	1.9
303.04916	21.7
303.07916	1.8
304.05746	3.5
306.02576	6.8
308.02167	2.1
310.03827	2.1
311.02469	1.9
317.01852	7.1
318.02411	2.1
322.07260	6.5
326.03070	2.1
336.01505	2.7
338.03110	6.1
340.00867	2.4
354.02509	4.0
354.13721	4.0
358.03473	2.9
359.03845	8.5
362.09955	12.7
366.06039	2.7
367.62570	2.0
376.08456	2.0
377.04962	2.1
378.00610	2.0
384.12360	18.9
385.12897	6.6
390.05582	13.8
391.06525	24.7
392.07736	6.3
402.10352	2.6
403.06738	2.4
408.11093	2.8
410.08740	3.2
412.08270	2.8
420.07239	6.5
421.07794	25.1
430.09570	2.7
440.07852	3.8
442.09079	8.2
450.08173	3.8
458.08725	10.9
459.09274	3.6
460.10385	2.9
468.07492	2.0
476.10049	5.8
483.12817	2.0
486.07983	10.6
496.14008	2.8
504.09302	9.1
516.15125	2.3
522.10608	7.2
524.13562	34.5
525.14081	64.6
526.14435	10.6
527.15405	15.6
543.56012	2.1
545.14764	2.6
546.15607	2.6
562.15002	14.4
563.15430	3.1
590.15204	21.5
591.14807	10.4
608.15570	30.0
609.15936	6.7
626.16644	67.6
627.16534	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	626.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56512	1.4
65.03936	2.5
68.99809	4.9
69.03453	1.7
70.06595	3.5
81.03409	2.7
83.01312	1.6
84.08142	4.8
86.03539	2.0
90.76994	1.5
91.05483	4.1
94.60438	1.7
95.01353	2.2
95.04964	2.6
95.40564	1.8
97.02935	1.8
103.05464	35.4
103.06102	2.5
103.13779	1.6
104.05804	3.1
105.03402	5.0
105.07068	2.7
107.43414	1.5
107.48470	1.9
109.02888	3.6
110.02423	2.4
111.03226	2.2
115.05453	12.5
116.05819	2.9
121.02895	2.7
127.07412	3.9
128.08223	6.6
129.07063	1.7
131.04921	100.0
132.05298	7.8
137.02351	2.5
138.01851	12.1
140.03433	4.7
142.06555	3.6
147.04463	1.9
155.04913	2.4
165.01884	3.8
166.01349	15.0
167.02156	12.6
168.02831	8.2
169.01352	1.9
170.06064	4.5
173.06010	1.8
176.60884	1.6
177.01894	1.6
178.01343	9.2
179.02077	3.2
179.03461	11.5
180.02933	4.1
184.02466	5.1
185.03227	6.0
190.01358	2.7
190.05089	6.1
191.02122	4.6
192.02878	9.2
196.02515	3.1
202.01381	2.7
204.03030	4.4
205.01424	2.1
206.00920	2.4
206.04482	1.9
207.01706	2.0
210.05492	2.0
212.07129	8.4
213.00343	3.8
217.98875	1.4
218.00963	6.9
218.04518	3.0
220.02481	4.9
221.03143	2.7
222.04033	3.9
223.02443	3.9
225.05499	1.8
230.04478	2.8
234.04030	2.6
238.06300	3.3
241.04959	10.5
242.04593	3.5
244.02602	2.8
249.02722	2.0
250.07216	2.9
254.08318	2.3
255.06519	17.1
256.07022	5.3
258.03937	9.1
261.02548	2.2
270.04538	2.1
270.07773	7.1
271.08389	7.3
272.02017	3.9
272.09232	3.7
280.06003	17.4
281.06528	4.9
282.04074	2.6
282.07758	5.7
286.03479	3.4
288.01523	4.7
289.02130	2.0
292.06049	2.8
293.01685	1.8
298.03574	5.2
298.06970	2.6
302.03198	1.9
303.04916	21.7
303.07916	1.8
304.05746	3.5
306.02576	6.8
308.02167	2.1
310.03827	2.1
311.02469	1.9
317.01852	7.1
318.02411	2.1
322.07260	6.5
326.03070	2.1
336.01505	2.7
338.03110	6.1
340.00867	2.4
354.02509	4.0
354.13721	4.0
358.03473	2.9
359.03845	8.5
362.09955	12.7
366.06039	2.7
367.62570	2.0
376.08456	2.0
377.04962	2.1
378.00610	2.0
384.12360	18.9
385.12897	6.6
390.05582	13.8
391.06525	24.7
392.07736	6.3
402.10352	2.6
403.06738	2.4
408.11093	2.8
410.08740	3.2
412.08270	2.8
420.07239	6.5
421.07794	25.1
430.09570	2.7
440.07852	3.8
442.09079	8.2
450.08173	3.8
458.08725	10.9
459.09274	3.6
460.10385	2.9
468.07492	2.0
476.10049	5.8
483.12817	2.0
486.07983	10.6
496.14008	2.8
504.09302	9.1
516.15125	2.3
522.10608	7.2
524.13562	34.5
525.14081	64.6
526.14435	10.6
527.15405	15.6
543.56012	2.1
545.14764	2.6
546.15607	2.6
562.15002	14.4
563.15430	3.1
590.15204	21.5
591.14807	10.4
608.15570	30.0
609.15936	6.7
626.16644	67.6
627.16534	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	626.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12291	1.6
60.05636	1.7
68.99780	3.0
69.40021	3.5
69.40424	6.4
70.06574	5.0
77.03963	2.3
77.71514	1.7
83.64504	1.7
91.05463	5.1
98.23483	2.6
98.46597	1.8
103.05473	20.4
111.03196	1.9
115.05448	11.8
127.07424	3.5
128.08167	7.5
129.06927	1.9
131.04918	70.9
132.05293	3.4
139.00267	2.0
142.06528	4.3
143.07269	2.1
151.03874	2.1
155.04950	3.7
156.08122	1.7
165.01837	2.0
166.01318	2.2
167.02148	7.0
168.02892	3.4
170.05992	3.6
179.03392	4.6
181.03644	2.8
185.03181	2.6
186.01778	1.9
190.04985	2.3
192.02875	2.8
199.03891	5.7
204.02844	2.2
209.05922	2.1
212.07069	10.7
213.00240	1.8
218.00868	5.6
223.02448	2.0
224.07094	2.8
225.05475	3.5
234.03946	3.6
238.04984	2.2
241.04932	34.8
242.07941	2.8
252.04082	2.0
252.06441	3.5
253.04770	2.2
253.07210	2.5
254.08141	2.8
255.06516	11.3
256.06186	1.9
259.05981	5.8
268.06049	5.4
269.06821	2.3
270.04071	3.5
270.07639	7.6
271.08307	5.9
272.01767	3.2
272.09100	5.5
280.06046	21.7
281.06393	2.6
282.07642	7.2
283.08307	5.8
283.46039	2.1
288.01199	5.8
298.03604	2.0
298.06995	3.4
302.02765	3.9
304.06009	2.0
310.07089	2.1
316.00647	3.4
317.01529	2.5
322.07138	6.9
326.02933	2.2
330.02438	4.5
338.03629	2.2
344.03937	6.0
345.11206	16.4
355.15381	2.1
364.07990	2.5
376.08105	2.2
384.12216	28.2
385.12439	1.9
392.07593	5.0
394.09348	2.9
404.05603	6.8
420.07126	10.8
421.07715	3.0
422.08459	3.3
426.13351	4.9
430.08963	5.6
434.08536	4.0
442.09128	2.7
448.10245	13.6
458.08423	3.5
472.06546	2.6
486.08389	3.8
490.07455	6.6
504.09094	6.2
508.12070	11.4
522.11523	1.9
524.13434	36.2
525.14154	100.0
526.14673	19.6
527.15308	3.0
536.17072	2.2
550.15295	2.1
562.14618	2.6
564.16589	10.5
580.16071	4.1
590.14282	8.7
591.14618	4.4
594.13214	5.0
608.15466	48.6
609.15265	4.2
626.16296	29.3
627.16412	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69098	0.8
57.03423	1.4
58.77507	0.9
60.13163	0.8
64.06547	0.9
67.05492	1.3
69.03440	1.0
70.06584	6.4
70.54923	1.3
70.55247	1.3
74.91996	0.9
75.49390	0.9
79.05484	2.6
81.07042	1.0
85.02889	1.6
85.75542	1.1
88.54504	1.1
91.05487	2.8
95.04979	2.1
97.02885	2.0
97.06550	1.2
103.05448	2.6
107.04935	2.7
109.06516	1.2
117.07020	1.2
119.04951	2.8
121.02856	1.4
125.06030	1.1
129.70682	0.9
131.04938	9.3
135.04393	2.2
137.05989	3.1
147.04395	3.8
151.03906	4.5
163.03857	2.3
165.05453	1.1
169.01352	2.0
175.03943	5.7
177.05478	1.5
179.03421	1.4
181.01306	1.3
193.04962	6.8
195.02908	4.4
203.03383	4.8
209.04471	3.9
218.21120	4.7
220.06143	1.8
221.04443	100.0
222.04930	1.8
238.07188	5.4
238.49532	1.1
239.05508	5.3
283.09552	1.8
287.05511	2.1
288.05664	2.1
299.09030	2.7
301.07025	1.2
302.07397	1.3
307.09509	1.3
325.10651	10.6
342.13336	96.4
343.13815	3.8
345.05182	1.1
357.97632	1.5
358.98389	2.0
366.47177	1.1
626.01086	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	626.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
65.03936	4.4
65.04284	1.6
68.99784	6.6
69.03419	1.9
70.06586	6.7
71.42934	2.1
81.03414	5.2
81.07038	1.9
82.06573	2.8
83.07352	2.9
83.77853	1.6
84.08149	3.4
85.02876	2.1
91.05481	6.4
95.04956	4.6
103.05460	45.2
105.03423	2.8
105.07022	3.9
107.04959	2.9
107.71294	1.7
108.99242	2.2
109.02869	12.8
110.06027	2.0
111.04424	16.1
115.19046	1.7
119.08596	2.4
121.02869	5.9
126.06598	3.2
127.07395	8.7
128.08199	12.1
131.04913	100.0
132.05255	6.5
136.07567	1.7
139.00305	1.7
147.04414	2.7
149.02325	11.2
151.03912	4.1
155.04889	2.2
163.03889	1.9
165.01851	3.2
168.00499	1.6
169.01299	6.7
173.06027	2.3
175.03767	2.7
177.01834	9.5
179.03407	7.1
183.04402	4.0
185.00803	5.2
187.03842	1.9
189.01849	2.3
191.03381	2.1
194.99245	14.6
195.02835	1.9
197.04448	2.0
203.03383	4.6
204.02873	6.1
204.06572	2.4
205.01303	19.6
205.04973	5.0
207.02826	11.0
213.00272	62.0
213.02266	3.3
218.79865	1.6
220.06116	1.9
221.04425	1.8
223.02351	83.9
225.03899	7.0
231.02925	2.3
232.06081	4.5
233.00882	9.6
233.04485	3.3
235.02354	3.8
235.07541	3.8
241.01413	3.0
243.02844	2.7
246.98656	2.7
250.03389	8.0
250.07085	9.7
251.01883	7.4
257.04492	1.7
259.02332	3.9
263.07184	2.4
265.08502	2.1
268.04529	18.5
269.00916	2.1
269.04459	1.5
271.02319	8.1
271.05930	5.7
273.00174	2.0
281.00720	2.2
283.02142	1.7
287.01901	4.2
291.06464	4.9
293.08145	2.1
297.00189	2.2
298.98221	2.3
299.02054	3.7
299.05426	38.9
307.09525	4.6
308.09152	5.0
309.07516	14.4
310.10654	3.6
311.09039	9.1
319.06036	4.8
326.13733	2.9
327.01257	6.9
328.99271	3.3
336.12122	8.0
336.99658	6.3
337.07016	18.4
339.01410	2.3
345.02377	1.9
354.09662	36.8
354.13455	6.3
355.00824	25.9
355.14645	2.8
356.11121	3.1
356.15109	4.3
358.12872	2.3
359.00058	3.2
360.99899	1.5
373.01581	5.7
373.99960	2.4
375.98523	2.1
377.01413	2.5
382.01605	3.6
382.05859	2.7
383.00174	13.3
400.03262	3.6
401.01160	2.4
421.05841	2.1
432.20883	1.6
441.05911	6.4
459.07089	13.3
469.05630	3.1
477.07928	2.1
486.07635	2.5
487.06415	22.9
504.08762	9.4
505.07617	4.8
522.10559	1.9
563.13300	15.0
590.15247	7.5
591.12970	16.5
608.17041	5.7
618.31805	1.7
626.04242	7.3
626.19855	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	626.181
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	1.6
71.44824	0.3
87.04432	0.3
88.42194	0.3
89.23465	0.3
99.71916	0.3
105.07006	0.7
115.05448	1.0
131.04906	1.0
140.04910	0.6
142.06503	8.2
144.04430	2.6
154.06487	8.9
166.06473	0.8
170.06009	2.9
182.06027	3.8
194.06024	0.8
196.03984	0.4
198.05489	0.3
210.05463	9.9
217.48161	0.4
222.03598	0.3
222.05424	1.9
229.91859	0.4
238.04958	35.2
239.05316	0.6
241.04939	1.1
256.06186	0.4
266.04453	82.9
267.04776	1.8
284.05502	7.8
328.09677	0.8
370.10703	100.0
371.10947	2.9
622.54071	0.4
626.18011	1.8
631.35010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
56.05034	3.7
61.84719	1.1
66.64670	1.1
67.05488	1.3
68.05044	1.6
68.99783	7.9
69.03434	1.1
69.37519	5.5
70.06592	8.4
72.05646	1.2
79.05478	5.2
80.04999	1.1
81.07051	4.3
82.06579	11.2
83.01365	1.5
83.06082	1.3
83.07357	21.8
84.08140	22.2
86.03550	3.3
86.06066	2.0
91.05468	10.8
93.07050	4.1
94.06561	1.3
95.05000	5.2
96.08148	2.3
98.22688	2.0
103.05458	41.6
105.03407	4.6
105.04507	2.4
105.07028	3.7
106.06573	3.3
107.04976	4.1
108.08085	1.9
109.06519	4.3
110.06073	2.2
115.05453	1.6
118.06543	2.0
119.04958	5.8
120.04489	1.7
120.08131	3.1
121.06536	2.6
122.06046	1.7
124.07610	5.3
126.06641	2.5
127.07420	9.3
128.08205	16.1
129.03452	1.5
129.07027	1.5
131.04918	100.0
132.05258	3.1
134.06036	2.0
136.07558	11.3
136.08289	0.9
137.05986	2.6
138.09138	1.1
139.00252	1.3
143.04950	1.0
146.05995	6.4
147.04408	3.5
148.03957	3.8
148.07582	3.0
149.02345	2.0
149.05991	1.7
150.05525	4.3
151.03906	3.7
152.07082	2.3
152.99130	1.1
157.02820	1.8
159.04396	2.8
160.07605	1.4
161.05991	2.3
162.05486	3.0
163.03975	1.3
164.07036	5.2
165.05499	5.1
166.99771	1.9
168.00488	1.7
169.01308	8.0
169.02478	1.0
171.04459	1.5
175.03963	2.2
176.03471	3.8
176.07057	5.2
177.05515	4.3
178.08669	1.4
179.03397	3.0
181.01299	5.9
181.06729	1.3
183.02907	1.7
183.04456	1.8
185.00841	8.0
186.05518	2.4
187.03964	4.2
187.07602	1.2
188.07104	2.6
189.05528	3.7
191.03355	2.2
194.08182	2.2
194.99226	17.3
195.02901	1.9
199.02440	3.6
203.03387	11.9
204.02910	49.7
204.06483	15.4
205.01373	1.4
205.04958	16.2
206.05763	3.5
206.08142	6.4
207.02954	4.3
207.06488	2.4
211.04085	1.5
213.00296	43.6
213.02245	2.3
213.05486	3.8
214.05013	3.0
215.03445	2.6
221.04485	4.7
222.04060	4.9
222.07552	3.0
223.02397	3.3
223.06010	9.6
224.09097	7.0
232.06007	25.8
233.04424	17.7
233.06494	2.3
233.09488	1.4
234.05325	3.6
234.07657	1.4
235.06027	4.3
242.10318	2.2
250.07079	46.0
251.07814	2.2
252.06438	2.8
252.08720	1.8
253.07199	1.6
257.04630	1.9
262.12231	1.3
268.08221	1.5
271.06128	4.7
272.47580	1.4
273.07639	4.2
283.06207	2.0
290.09024	1.2
290.11694	6.4
292.13379	2.5
298.98206	2.6
299.05508	26.9
300.05750	2.3
300.08896	2.3
301.06903	5.2
307.09610	11.5
308.09180	42.6
308.12820	5.6
308.18283	1.2
309.11282	5.9
310.14511	6.1
311.05478	1.1
312.99817	2.2
315.08667	4.3
316.99350	3.7
318.11353	4.2
319.09634	3.1
327.01440	5.8
327.04932	2.0
328.15411	5.5
329.06750	1.2
336.05536	2.3
336.12265	43.7
337.12833	1.5
338.11429	1.8
339.01337	7.0
339.12271	2.1
353.02975	1.2
354.06180	3.4
354.13336	31.7
355.04556	1.8
355.14349	4.5
356.07956	1.5
356.14890	25.9
357.02124	1.6
364.04538	2.5
382.05588	12.8
383.04044	2.4
400.06650	2.7
421.05984	1.5
431.07635	1.6
443.07498	3.2
459.11087	1.7
460.14056	1.6
469.09335	1.4
486.11890	11.9
487.10550	2.4
504.12915	8.5
522.13916	1.3
535.14001	1.5
547.14038	2.0
572.17133	3.6
573.16461	2.6
590.18195	14.5
591.17346	1.6
608.19012	18.9
609.19696	2.1
626.20160	44.2
627.20898	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	626.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.2
53.89653	0.8
54.21124	0.8
55.01861	1.3
55.05503	0.9
56.05032	3.2
65.03949	0.9
67.05505	1.3
68.99789	9.0
69.33720	4.5
70.06595	7.5
77.03928	1.6
79.05488	3.4
80.05016	1.5
81.07057	5.0
82.06570	9.1
83.01379	1.0
83.07359	24.4
84.07668	1.6
84.08144	19.6
91.05473	9.5
91.46161	0.8
92.33208	0.8
93.07048	2.9
94.06592	0.9
95.04953	4.9
96.08115	2.1
103.05465	40.5
104.05787	0.9
105.03407	3.8
105.04499	1.3
105.07017	2.9
106.06551	2.2
107.04958	2.8
108.08118	2.6
109.06509	5.0
110.06068	1.8
115.05495	1.7
117.06982	0.9
118.06513	2.9
119.04936	6.1
120.08118	2.4
121.06540	1.9
122.06046	1.6
123.00801	1.1
123.04422	1.2
124.07606	3.5
127.07437	2.7
128.08212	3.7
129.07025	1.5
131.04924	100.0
132.05281	2.5
133.06505	1.4
134.05988	1.6
136.07549	9.0
137.05981	2.2
141.06888	0.9
143.04871	1.3
146.06010	6.6
147.04428	4.5
148.03970	2.9
148.07619	1.3
149.02354	2.1
149.06017	0.9
150.05498	3.5
150.09264	0.8
151.03891	1.8
152.07100	2.2
157.02850	2.4
159.04411	1.7
160.07574	1.0
161.05927	1.8
162.05518	3.2
163.07513	1.4
164.07063	4.7
165.01830	1.5
165.05457	0.9
166.99734	2.0
169.01329	6.2
171.04472	1.0
175.03912	2.1
176.03485	3.3
176.07095	3.4
177.01846	1.0
177.05502	3.1
178.08626	1.8
179.03418	1.6
180.06618	0.9
181.01324	4.2
183.02965	1.2
183.04446	1.4
185.00824	5.9
185.05995	1.0
186.05449	1.1
187.03889	4.3
188.07024	2.0
189.05482	1.9
191.03424	1.1
192.06593	1.1
193.04950	1.1
194.04456	1.0
194.99251	17.7
195.02937	1.9
195.06480	1.3
199.02351	2.0
203.03389	10.9
204.02922	39.9
204.06537	17.4
205.01518	0.9
205.03099	1.4
205.04941	14.9
205.06793	1.1
206.05908	4.9
206.07962	5.6
207.02896	2.9
207.06596	2.2
212.07083	1.0
213.00288	41.3
213.05554	2.7
214.05034	4.0
215.03439	2.7
215.08682	1.2
221.04478	4.6
222.03944	4.3
222.07506	4.4
223.02473	2.2
223.06004	10.0
224.09132	4.6
232.06009	21.4
233.04459	15.8
233.06738	2.0
233.09467	0.9
234.05281	2.7
234.07564	1.6
235.05968	4.5
239.07198	1.0
241.04945	1.1
242.10262	1.8
247.11226	1.2
249.00421	1.0
250.07097	36.6
251.07674	1.9
252.06374	3.4
252.08760	1.9
255.02934	1.5
257.04349	1.9
261.09006	1.5
262.12311	0.9
271.03339	1.3
271.05698	5.0
273.07620	2.5
274.12411	1.0
283.02420	1.2
285.07507	1.1
286.07510	1.3
288.99982	1.0
289.08606	1.8
290.11679	5.8
291.10129	1.1
292.13440	2.3
293.11789	2.7
298.07104	1.2
298.98221	1.4
299.05493	23.3
299.08768	1.6
300.05695	0.9
300.08752	1.4
300.99911	1.0
307.09662	14.4
308.09213	39.7
308.12805	4.6
309.11371	4.9
310.14395	5.9
311.01855	1.1
311.05472	1.7
312.12390	0.9
312.99860	2.0
315.08542	1.7
316.99246	3.7
318.11218	2.7
319.09708	2.3
326.06570	1.8
326.13782	1.2
327.01328	4.4
327.04901	1.8
328.15436	4.0
336.12280	43.4
337.03433	1.4
337.12857	1.2
338.07016	1.3
338.11551	2.6
339.01401	3.3
339.05029	1.0
339.11975	1.9
345.02377	0.9
353.02921	1.4
354.06177	3.3
354.13339	31.8
355.04608	2.3
355.14029	4.0
356.08002	1.5
356.14905	29.2
357.02460	1.0
357.15408	1.5
364.04431	1.2
365.02817	1.5
382.05594	8.9
383.04517	1.1
400.06815	2.6
431.07468	1.3
441.10074	1.4
441.46387	0.9
459.11163	1.7
460.14072	1.1
468.10602	1.7
468.62360	0.9
476.13766	0.9
486.11768	12.0
487.11331	2.2
504.12701	6.2
522.14294	2.0
535.13824	2.0
547.13843	1.7
565.15009	0.9
572.17072	4.0
573.15778	0.9
590.18201	13.0
591.17462	1.6
608.19073	18.7
609.19061	0.9
626.20135	37.3
627.20148	3.3
641.98236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
60.04523	0.6
61.02927	0.4
65.03944	2.4
68.28194	0.4
68.99802	0.4
69.03424	4.3
79.28878	0.3
81.03398	4.6
83.04969	1.3
85.02889	3.3
87.00826	1.7
91.05473	5.6
93.03413	0.8
97.02885	100.0
98.03223	0.6
98.22662	1.1
99.04454	1.1
103.03936	0.4
105.01859	1.5
105.03361	0.5
106.02898	0.4
109.02866	2.8
111.04419	1.7
114.05518	0.8
119.04945	0.6
121.02859	49.3
122.03216	0.7
124.03925	0.4
125.02299	0.4
127.03902	3.3
129.05470	1.4
131.04971	0.5
131.08539	0.4
133.76190	0.4
139.03882	1.0
145.04935	0.5
147.04420	0.7
149.05997	0.4
151.03891	4.3
159.02803	0.5
165.01869	0.4
181.05014	0.5
181.55760	0.3
189.03970	0.4
199.06030	0.4
205.04970	1.0
211.07552	1.3
213.03970	0.7
215.05457	1.2
217.04947	9.4
223.05952	0.9
231.04895	0.7
235.05930	4.4
241.07018	0.9
253.07060	6.1
269.08023	1.1
270.09772	0.4
309.06079	0.7
327.06891	1.2
345.08029	1.1
361.09012	1.0
369.08167	0.5
437.70511	0.4
447.09076	1.6
465.09811	1.8
483.11401	2.7
489.99042	0.4
501.12036	0.9
626.19080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99680	0.2
53.03942	0.2
55.50998	0.2
57.03443	0.3
59.33012	0.2
65.03946	0.9
69.03423	1.9
69.58846	0.2
69.59180	0.8
80.38115	0.2
81.03410	0.7
83.01347	0.2
83.04972	0.6
85.02906	1.1
87.00835	0.8
91.05476	1.5
95.05011	0.4
96.04489	0.2
97.02885	100.0
98.03232	1.1
99.04424	0.3
103.03941	0.4
105.01854	0.4
109.02865	0.9
111.04424	1.5
114.05515	0.5
121.02858	29.0
121.03880	1.1
122.03201	0.4
123.04404	0.2
127.03917	0.9
129.01796	0.3
129.05437	0.8
133.02831	0.4
139.03879	0.4
151.03889	1.9
177.05510	0.4
181.04878	0.3
181.79915	0.2
189.03934	1.0
199.06026	0.4
205.05026	0.3
213.03801	0.3
215.05487	0.5
217.04944	8.4
223.05882	0.4
235.05989	3.4
241.07030	0.5
253.04532	0.4
253.07060	4.7
327.07034	0.5
345.08127	1.2
361.09219	0.5
387.12134	0.3
410.35229	0.2
444.72015	0.2
447.09494	0.3
465.09964	0.6
483.11520	1.0
501.12326	1.9
598.31348	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	626.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01849	2.0
52.40057	1.6
56.05036	5.1
59.04866	35.4
60.05648	44.3
65.03945	2.5
67.05505	3.5
68.99796	4.4
69.03430	6.1
70.06594	5.5
71.43134	2.1
72.05643	40.5
73.06422	23.0
77.04584	1.8
78.45114	1.8
79.05498	3.4
83.01346	2.3
83.06131	9.4
83.07352	5.0
84.05643	2.1
84.08147	2.0
86.03563	13.0
86.06065	42.7
86.07190	3.9
87.07970	52.7
89.65852	2.2
91.05495	4.9
93.65536	1.5
95.04980	3.7
98.07190	10.0
99.07966	8.0
103.05484	10.2
107.04935	3.4
110.06063	1.8
111.05573	8.2
111.96751	1.7
119.04931	3.6
119.06888	3.8
121.02814	2.5
122.06046	2.9
123.00846	2.6
126.06661	17.0
127.03970	1.7
127.07427	61.8
128.08202	100.0
131.04913	25.1
134.06003	2.2
135.04402	4.8
136.05168	9.9
136.07623	4.4
138.05437	2.4
147.04417	6.9
149.05962	3.9
149.62149	2.0
151.03937	5.7
162.05478	3.4
163.03909	23.8
164.04681	5.5
165.05463	5.0
175.03891	7.0
177.05447	6.4
179.03487	2.9
180.06570	5.1
181.01440	2.0
181.04945	4.0
187.03862	3.2
190.04971	13.9
191.03391	64.4
192.04092	7.2
195.10075	8.7
204.07758	3.4
205.04953	55.4
207.02946	3.3
208.10913	2.9
209.04620	2.6
210.08655	5.1
214.06100	3.2
216.07559	2.2
222.08720	2.6
223.02475	3.0
223.09561	6.7
224.10233	4.2
226.07132	1.8
232.07199	53.9
236.10365	5.4
238.08319	3.1
250.08263	11.7
251.08995	2.6
252.09975	2.7
264.09692	16.1
267.10184	5.9
268.11108	2.1
271.02557	2.5
278.08948	2.7
279.10184	6.9
289.03403	7.7
294.11258	12.5
295.09595	48.0
296.10333	9.9
299.15970	2.0
319.13824	1.8
326.14944	5.6
327.15732	3.8
336.13373	18.2
337.14093	7.7
338.14847	3.6
340.11682	1.9
354.14276	29.3
355.15247	78.4
356.15607	11.2
392.11310	7.3
460.10120	4.8
522.14209	2.8
539.10101	2.6
564.15900	1.9
608.19440	3.5
626.20795	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	626.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13070	0.3
54.03470	0.3
56.05033	2.7
59.04870	2.1
60.05647	3.8
62.93081	0.3
68.99788	0.4
69.00912	0.8
69.03423	3.2
69.90623	1.1
70.06598	0.4
72.05637	9.0
73.06419	1.0
81.56408	0.3
83.06106	8.7
83.07353	1.5
84.04504	2.5
84.05627	1.1
84.08123	0.8
85.05273	1.4
86.03554	16.6
86.06068	10.8
86.06587	0.6
87.07983	3.3
91.05484	0.7
93.26707	0.3
95.04935	0.4
98.07188	0.8
99.07961	0.9
103.05471	0.9
104.05778	0.3
111.05563	3.1
119.04936	0.4
124.30733	0.4
126.06641	16.5
127.07420	73.5
128.08200	100.0
129.08554	0.7
131.04924	2.9
132.05278	0.4
136.05225	0.6
137.05957	0.7
138.01854	0.4
138.05441	0.8
140.08182	1.3
146.05849	0.3
147.04378	0.9
152.64432	0.3
154.09727	1.4
163.03926	1.5
164.04608	0.4
164.07066	0.4
167.02109	1.1
167.10582	0.4
168.02823	0.5
175.03868	0.6
176.07167	0.4
177.05461	0.4
180.06564	1.2
190.04916	0.7
191.03403	2.2
191.05717	0.4
192.04137	0.4
194.00816	0.5
195.09995	0.9
204.01181	0.3
204.02951	1.3
204.06516	0.5
205.03271	0.6
205.04956	2.6
208.06110	0.8
212.01837	0.7
216.07805	0.6
223.09520	2.3
224.10172	0.4
226.07111	1.5
232.07153	1.3
234.08997	0.5
236.10396	0.6
238.08226	1.7
241.14095	0.3
250.08337	3.7
251.08969	1.2
264.09793	0.8
267.10370	0.5
268.09189	1.7
279.10300	0.4
284.44794	0.4
294.11273	0.7
295.03079	0.4
295.09607	1.0
308.09396	0.6
309.09415	0.9
326.15259	0.5
327.15604	0.5
334.23904	0.4
336.12946	1.6
337.12732	0.6
338.14865	0.4
354.14020	2.3
355.15283	10.8
356.15311	1.8
357.15402	0.5
391.35345	0.4
418.08960	0.3
522.15173	0.6
590.19263	0.4
608.20648	1.2
626.21460	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	626.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54716	1.9
52.31078	1.9
56.03761	2.8
56.05033	6.0
59.04866	47.4
60.05648	46.9
62.07492	2.1
67.05496	3.8
68.99805	3.7
69.03429	7.8
70.06586	5.6
71.43116	2.0
72.05637	52.1
73.06422	28.2
79.05514	5.7
83.06087	9.8
84.05592	3.4
86.03545	13.5
86.06066	57.1
86.07185	5.5
87.07971	59.3
87.08491	3.9
91.05480	5.8
93.03391	2.5
95.04951	7.5
98.07169	13.4
99.07964	7.9
101.09530	3.6
103.05485	11.0
105.03399	3.1
107.04981	8.2
108.02106	2.4
108.05802	2.8
110.05978	3.0
111.04385	2.8
111.05553	11.8
118.04173	1.9
119.06934	2.3
121.02882	2.8
122.06075	4.5
123.00766	3.6
123.04482	2.6
126.06646	14.8
127.07413	59.9
128.08200	100.0
131.04951	21.1
134.06021	2.2
135.04411	3.1
136.01624	3.0
136.05182	12.8
136.07527	3.8
147.04372	10.3
149.05969	6.8
151.03918	29.7
151.05048	3.9
153.01883	4.3
158.77454	1.9
163.03908	32.4
164.04619	5.1
164.07027	2.7
165.05461	10.5
169.01291	2.0
175.03886	14.7
177.05522	9.4
179.03329	3.2
180.06572	2.3
181.05017	4.2
190.04910	14.2
191.03375	63.6
192.04185	6.4
193.04964	3.6
195.10036	11.4
204.03027	2.3
204.07727	6.4
205.04945	60.5
208.10744	4.4
209.04390	5.2
210.08733	5.5
213.00389	2.7
214.06100	2.5
221.04451	3.6
222.08806	2.7
223.02382	5.1
223.09534	5.2
224.10376	3.6
226.07341	2.1
232.07190	57.5
236.10274	7.3
250.08217	16.6
251.09000	3.2
252.09749	6.3
253.04791	2.6
254.05690	2.9
255.06598	4.2
256.07001	2.6
264.09808	16.8
267.10156	7.9
271.06052	6.0
279.10083	11.8
282.05276	2.5
283.05963	9.4
284.06284	11.5
287.05276	2.8
294.11148	14.3
295.09619	57.4
296.10306	9.9
299.05566	9.3
299.16425	3.5
300.06293	9.0
308.09393	3.6
315.08621	61.2
318.12415	4.0
326.14853	5.7
327.15686	4.1
336.13464	22.7
337.14075	8.1
338.14874	9.6
354.14386	31.5
355.15253	98.4
356.15759	14.3
384.15332	2.5
522.14960	4.1
626.20111	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	626.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	1.6
53.03946	4.7
55.01858	7.8
57.03424	3.3
61.02915	3.0
62.33340	1.7
68.99776	2.9
69.03416	15.0
70.06587	3.1
71.04987	2.2
78.14349	1.8
79.05482	2.2
81.03406	16.8
85.02896	37.9
87.00826	15.2
87.04463	4.0
91.05453	12.2
95.04966	5.1
97.02885	22.8
99.04442	6.6
103.05489	2.9
103.48725	2.0
105.01859	12.9
107.04935	5.3
109.02879	9.4
109.06502	1.9
110.18273	1.9
115.03940	4.1
115.05425	1.7
117.01778	2.6
119.04922	9.7
120.08090	5.5
121.06438	3.0
122.03641	5.8
127.03907	25.7
128.06192	2.3
129.06981	7.9
131.04901	7.8
131.08534	3.7
133.06473	3.2
135.08005	3.5
136.05190	1.8
137.05966	78.0
137.07018	4.3
143.04886	2.4
145.04953	13.0
145.06367	2.4
147.04382	2.2
149.05983	9.2
151.03871	8.3
151.07529	71.2
151.08751	4.4
157.06503	8.7
159.02885	6.8
159.08063	3.4
161.05992	11.4
162.06747	2.0
163.07549	23.2
165.06941	2.6
165.09062	3.8
167.08557	5.4
174.06715	11.6
175.07545	13.9
177.09068	6.7
187.07526	3.2
189.09108	32.7
193.06401	3.1
193.10150	4.4
195.08086	13.6
195.09822	3.1
201.09059	6.1
203.06973	2.4
207.08061	2.1
207.10138	4.0
209.07985	3.1
210.06717	3.8
219.04919	2.5
219.07951	2.2
219.10143	45.0
220.10446	2.8
221.05830	4.3
221.09521	5.1
223.07481	7.1
224.08411	3.0
225.09074	4.5
227.07169	2.4
227.10605	19.9
231.04912	3.7
231.10030	2.1
237.09129	5.1
239.06834	2.8
240.07909	2.4
245.06140	1.9
249.08986	4.2
249.11256	5.3
251.10571	2.4
253.08472	8.9
253.12230	10.2
255.10156	21.9
267.10107	5.0
269.08032	3.3
281.11508	4.1
284.10324	2.6
285.11194	15.2
287.12750	25.0
289.05273	8.3
290.05521	2.7
293.11465	2.3
297.11139	6.4
299.12741	5.7
309.11191	3.5
311.12854	8.8
313.14304	21.6
314.14767	3.8
323.12717	2.1
331.15375	100.0
332.15717	3.4
341.13699	3.0
343.15390	23.2
355.15347	7.6
367.15179	3.6
378.16107	5.4
403.15088	3.1
421.16647	10.6
439.17184	4.4
525.17468	4.3
543.18073	2.8
561.19025	2.9
626.29456	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	626.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	3.3
58.06628	0.4
60.39240	0.4
63.04056	0.5
65.03931	0.9
69.03435	0.5
70.06595	6.0
71.08614	2.3
81.03412	1.1
85.02884	0.6
88.07622	9.1
91.05489	4.9
93.03407	0.7
97.02898	0.7
102.09184	2.6
106.08664	4.8
109.02843	0.7
111.04453	0.7
115.05457	10.5
117.07017	64.4
118.07347	1.6
121.53735	0.4
137.21481	0.5
141.05478	0.6
151.03905	22.5
151.04959	1.2
163.03893	0.9
169.04971	2.9
174.18492	0.6
195.02988	0.5
200.20067	5.3
218.21144	100.0
219.21507	2.3
221.04471	0.5
267.10068	2.9
271.06088	0.7
295.08188	1.7
299.05466	6.4
313.09116	1.6
314.07834	0.5
329.10141	7.4
409.05865	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	626.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53193	3.3
65.03938	4.6
66.44543	3.5
69.03410	5.4
69.07061	4.1
69.80066	5.2
69.80407	11.5
81.07044	3.9
87.00810	3.5
91.05483	16.3
93.07010	3.4
95.04954	3.9
97.02888	100.0
98.22775	6.9
105.07039	7.7
106.02936	4.5
119.04950	21.3
121.02840	6.7
124.03934	17.2
133.10194	4.2
134.70444	3.7
138.05501	13.6
145.10138	4.7
147.04420	22.1
149.02365	6.4
149.07610	3.7
151.03917	9.7
152.04218	4.2
167.03383	43.1
175.03941	30.0
177.05418	9.0
187.07506	5.1
191.03598	3.5
207.06548	69.3
215.77756	3.4
229.08627	5.3
247.09793	5.7
275.09174	14.9
287.05338	4.3
303.08762	5.4
321.09677	23.6
339.10605	7.7
340.12115	3.9
345.04639	4.4
358.98557	32.2
376.99503	12.5
425.25455	8.6
583.28644	5.3
626.01263	95.3
626.28900	17.7
627.01227	11.8
627.28168	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01865	1.6
57.03432	1.0
61.02903	1.2
68.99773	1.1
69.03416	5.9
70.70560	0.6
71.04973	1.9
73.02901	1.0
74.27485	0.7
81.03415	6.0
85.02897	13.7
87.00813	5.3
90.47108	0.8
91.05460	1.1
97.02882	5.2
98.22719	2.0
99.04435	1.7
105.01874	3.2
109.02901	4.0
115.03944	1.5
115.05476	1.2
125.02286	0.8
127.03900	8.0
128.06190	1.5
129.06981	8.3
131.04865	1.9
131.08566	6.7
137.05975	3.6
141.06979	4.9
143.08502	1.9
145.04950	3.6
145.06493	1.2
151.07504	1.4
157.06483	5.2
158.07256	1.7
159.02896	3.0
159.08057	7.6
160.05182	1.1
161.04399	1.0
161.05669	0.8
161.09660	0.8
163.03911	6.3
164.04199	1.9
169.06479	3.0
169.43481	0.7
170.07239	2.0
171.08041	1.7
174.06744	12.1
175.07523	3.4
180.34813	0.7
186.06754	2.7
187.07457	1.6
189.09094	24.0
191.10651	2.7
201.09081	7.7
203.10641	10.7
207.10295	0.8
219.10144	100.0
220.10484	3.9
221.11639	0.9
237.11180	1.6
247.04509	1.2
257.04416	1.0
287.05490	2.1
288.05795	1.5
633.39703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01871	7.8
57.03426	4.5
61.02919	3.3
66.91792	1.2
69.03429	23.1
69.81974	3.0
71.01334	1.3
71.05006	1.3
73.02917	4.3
74.52200	1.2
79.05453	1.8
81.03416	17.9
85.02897	47.2
87.00829	17.7
87.04460	2.3
91.05469	7.1
94.04181	1.6
95.04975	3.7
97.02896	16.9
99.04456	7.2
105.01855	13.3
105.07058	1.6
107.04943	3.7
107.80255	1.4
109.02897	12.7
109.06495	1.4
115.03915	3.4
115.05463	2.5
117.01842	2.7
117.07027	1.6
119.04919	7.8
121.06488	2.0
122.03650	3.4
127.03909	24.5
129.07005	5.0
131.04900	3.9
137.05971	65.6
138.06297	2.8
141.04243	1.4
143.04938	1.7
145.04935	8.3
147.02873	2.0
147.04382	1.6
149.05988	5.3
151.03918	4.0
151.07535	44.5
157.06453	4.6
159.02896	7.4
161.06018	11.3
163.07558	17.6
163.74628	1.4
165.06950	2.1
165.09056	1.9
167.08614	3.1
169.06476	1.7
171.08031	1.4
174.06734	2.2
175.07542	15.2
176.07817	3.4
177.09114	14.6
187.07576	3.9
189.09097	16.4
193.10086	2.1
195.08078	8.1
195.10123	3.1
197.05994	1.5
201.09085	2.6
203.06961	2.4
207.10150	3.0
209.08026	3.7
215.07083	2.4
219.10178	3.2
221.05948	2.9
221.09631	3.9
221.11700	2.8
223.07544	3.3
225.09027	3.1
227.10658	10.9
231.05016	4.5
239.10655	2.3
249.09100	4.0
249.11279	3.3
252.07860	1.5
253.08656	5.1
253.12259	5.1
255.10130	12.0
261.11234	3.9
265.08585	3.2
267.10272	3.7
269.07983	2.1
269.11792	1.7
279.10126	2.9
281.11548	2.5
285.11105	8.8
287.05618	2.2
287.12808	17.3
291.10172	2.1
293.11853	1.7
297.11118	4.3
299.12845	7.9
301.14505	2.1
305.11688	1.7
309.11075	2.2
311.12778	12.5
313.14279	18.1
317.11557	2.3
323.12744	2.8
325.14209	1.9
331.15381	100.0
332.15704	3.8
335.12744	3.2
337.14154	2.0
341.13861	3.1
343.15393	32.8
353.13739	3.9
355.15506	6.8
361.16400	2.0
365.13739	1.8
367.15338	5.2
379.15082	2.1
397.16400	5.1
397.89362	1.5
403.15497	2.5
419.13489	2.2
421.16495	11.3
439.17599	4.4
525.17328	3.7
543.18951	6.9
561.19519	4.9
642.46332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01872	1.4
55.05497	3.3
57.03434	11.4
69.03429	9.5
71.01347	2.5
71.04989	66.8
73.02908	9.3
75.04478	7.2
81.03406	2.3
83.04978	21.7
85.02901	100.0
87.04465	3.6
95.04984	3.0
97.02887	6.3
99.04444	4.6
101.06020	2.1
105.07024	1.7
109.02863	1.9
110.86905	1.1
111.04432	18.8
113.06042	2.7
115.03894	1.4
117.05485	2.3
120.08083	4.4
121.06490	1.5
127.03905	5.1
129.05466	38.2
137.05986	8.1
145.04993	1.9
147.06516	20.1
149.05984	1.6
151.03943	1.9
151.07516	3.0
151.83885	1.1
153.05424	7.1
155.07007	1.8
161.05904	2.7
163.06053	5.8
165.05527	2.2
166.08655	2.9
171.06535	2.2
179.07083	6.1
180.08833	1.9
181.04933	12.2
183.06546	1.3
189.05440	1.3
201.07570	3.8
213.07581	2.7
223.06189	1.1
239.09161	10.3
247.09621	4.4
255.08617	3.1
257.10217	5.0
265.10663	2.0
273.09723	3.3
275.11203	6.2
293.12286	11.5
309.11633	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	626.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.8
55.05512	4.2
57.03436	18.7
61.02928	7.3
62.98394	1.3
69.03066	2.2
69.03431	34.5
69.79546	3.4
69.79910	2.8
71.01347	2.8
71.04990	42.5
73.02914	51.3
73.70153	1.3
75.04476	7.0
77.98404	1.4
81.03409	3.7
83.04978	25.6
85.02905	100.0
87.04489	2.9
91.05476	6.1
95.04974	2.4
97.02896	30.6
98.22710	1.5
98.52442	1.5
99.04464	3.1
103.03953	5.1
104.31962	1.4
111.04444	23.8
113.02350	1.8
113.06033	2.5
115.03926	31.7
119.04968	4.1
121.06508	3.1
127.03926	5.4
129.05472	42.3
133.04964	13.5
137.05989	1.4
139.03931	6.0
145.04945	3.0
145.06494	2.0
147.06528	35.1
149.04503	2.3
149.05992	1.9
151.07541	41.6
153.05557	2.0
157.04990	2.6
163.06180	1.6
163.07513	3.6
165.07721	2.4
165.09137	4.1
169.04939	3.7
169.08589	10.1
171.06557	2.5
179.07050	2.8
181.08626	6.8
187.06013	3.9
193.08607	11.2
195.06517	2.4
207.06602	1.2
213.07553	1.6
225.07559	14.7
235.09650	3.5
243.08614	13.0
247.09792	1.6
255.08621	2.0
261.11606	8.6
265.10736	4.8
273.09686	3.8
277.10791	2.9
279.10471	15.6
295.11737	2.1
309.11761	5.7
358.27802	1.5
363.41141	1.6
439.69321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93676	2.0
53.03949	1.8
55.01868	2.5
55.05507	5.0
57.03427	3.9
61.02925	3.5
63.37694	2.1
64.31779	2.0
67.05486	11.2
69.03432	2.9
69.07043	4.5
69.34448	6.2
69.34840	3.9
70.06577	5.6
73.02915	2.4
76.37906	2.3
77.29992	2.0
77.38440	1.9
79.05481	15.2
81.03408	6.4
81.07072	11.1
81.07452	1.7
83.04967	7.6
83.71502	1.9
84.08125	2.4
85.02907	7.5
91.03960	3.5
91.05457	19.9
93.07034	15.0
95.04964	7.7
95.08566	3.2
97.02892	4.1
105.07001	14.0
106.02908	2.1
107.04967	4.1
107.08621	2.1
119.08562	8.7
121.02855	4.4
123.00675	2.4
124.03945	5.6
127.03915	2.3
129.07014	5.8
131.08534	5.1
133.10098	12.9
137.05974	15.5
145.06477	2.2
147.04393	3.7
147.11653	6.9
157.10103	6.7
161.05991	3.1
175.07547	4.3
175.11188	4.7
177.05518	2.5
181.05002	2.0
193.12155	4.1
211.07251	2.7
247.15280	2.0
251.10786	2.5
267.15900	100.0
279.10101	2.5
283.09772	2.1
311.12756	11.7
385.79831	2.3
506.15155	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	626.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	1.3
69.74100	0.6
71.04993	0.4
73.02909	1.2
73.06550	0.8
78.99501	0.4
80.49689	0.2
81.07076	0.3
87.04459	100.0
87.78423	0.2
88.04785	0.7
89.06025	4.0
91.05463	0.3
98.22821	0.3
103.07584	1.0
113.00002	1.8
115.07533	0.4
117.09116	0.8
121.02780	0.2
127.01552	13.8
131.07011	3.4
133.08597	2.4
139.01534	5.6
147.10109	0.5
153.03101	16.2
167.07043	0.3
175.09692	0.8
177.05455	0.5
177.11249	0.7
183.04112	1.8
197.05727	6.3
197.07500	0.4
219.12216	2.3
227.06897	0.9
241.08305	1.4
259.09589	0.3
263.14920	0.4
267.15881	0.3
271.09402	0.8
285.10986	0.4
303.11990	0.5
347.14700	0.4
435.19962	0.3
535.32965	0.3
567.27844	0.4
609.28894	1.1
648.78796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81282	1.6
52.13684	1.6
58.04219	2.8
59.04998	4.3
61.02902	1.5
65.03939	6.2
67.01859	11.2
67.05500	2.2
68.99800	5.7
69.03439	1.4
70.92614	2.1
73.02920	10.4
73.44189	1.7
79.05473	1.8
80.05501	2.1
81.03423	4.2
81.07058	2.1
87.04469	11.4
89.06023	24.4
90.06362	2.4
91.05478	5.8
93.03458	2.0
93.06998	2.2
95.01350	2.2
95.04970	2.9
95.08657	2.0
97.06532	3.1
102.16521	1.5
107.08620	1.9
109.02901	2.0
111.04434	2.6
117.09139	1.8
119.04924	13.8
121.02859	38.1
122.84373	2.1
127.01563	8.5
131.04942	1.9
131.07124	1.8
133.08600	13.6
134.02121	1.7
135.04445	4.4
137.02347	25.4
137.03375	3.0
138.05566	2.5
141.01958	1.6
145.02890	8.4
146.09355	2.3
147.04404	15.0
149.02319	24.2
153.03128	9.7
157.02762	2.0
159.04459	1.9
161.02347	7.1
163.03973	4.7
165.01825	4.0
165.05490	2.3
165.07108	2.1
167.03404	35.1
168.10641	1.7
175.03941	1.7
177.01825	1.9
177.05489	2.3
177.11198	4.6
179.03383	2.4
181.01309	3.3
187.03899	3.4
195.02945	1.9
197.05858	2.1
199.12552	3.2
211.03864	2.1
229.05156	1.9
231.02827	2.7
233.04492	2.7
237.05452	2.0
239.07092	2.0
241.04999	2.1
247.05986	27.2
255.06511	42.0
257.04456	3.2
263.05466	14.9
267.03616	3.2
267.06516	55.8
268.07120	3.4
270.05237	3.3
271.05991	54.3
272.06314	2.1
277.08524	2.9
281.04538	3.0
281.08078	1.7
283.06046	45.7
283.09656	26.3
284.06650	3.9
291.06482	1.9
293.08087	6.9
295.06006	100.0
296.06320	2.6
297.04050	2.5
299.05597	6.5
299.09082	58.4
300.06216	2.5
305.08142	4.3
307.05899	4.5
309.07828	2.7
311.05499	68.4
311.09106	5.1
312.05844	3.0
315.08670	23.5
320.06586	2.0
321.07593	2.7
323.09283	2.0
327.08759	5.1
335.09149	2.8
337.10730	2.6
339.09589	1.9
349.07071	5.0
351.08673	3.3
355.11670	4.8
365.06653	3.3
368.13049	2.4
371.11453	2.7
399.04785	2.2
401.10342	2.3
411.08597	2.7
440.98029	1.6
447.10791	1.9
457.09363	2.7
489.12088	2.2
491.10028	1.8
507.10742	3.3
517.12805	3.6
527.11169	2.9
529.12512	2.3
530.09033	2.4
535.13916	2.4
537.14984	1.8
545.12482	13.2
547.13428	7.2
553.15063	9.1
555.16797	2.9
563.13239	9.8
565.15405	2.8
573.11761	6.7
581.14429	8.8
582.32013	2.0
591.12891	42.0
592.13092	4.0
595.21191	3.7
599.15619	10.3
609.13641	75.4
610.14203	5.6
626.31250	2.7
627.20520	41.0
627.28864	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	627.1549
Annotation	Herbacetin 8-gentiobioside
Peak:m/z	Relative Intensity
53.03944	0.2
55.01862	0.2
57.03421	0.3
59.23835	0.1
61.02899	0.5
69.03414	1.1
70.06581	1.2
71.04954	0.2
72.08127	0.2
73.02917	0.3
81.03412	0.6
85.02898	6.5
86.09687	0.4
91.03923	0.2
95.01312	0.6
97.02885	1.7
99.04421	0.4
109.02847	0.5
110.07150	0.2
117.03367	0.3
119.04941	0.2
123.00778	3.3
127.03898	1.2
131.04916	0.2
135.04414	2.3
137.02339	0.7
139.72462	0.2
141.01837	0.5
145.04926	1.1
147.04370	0.2
151.00293	0.2
160.05122	0.2
169.01317	2.0
192.07655	0.3
219.02873	0.3
257.04413	0.7
260.61084	0.2
261.03885	0.4
266.40692	0.2
285.03900	1.9
303.04950	100.0
304.05304	2.6
358.98227	0.4
375.30252	0.2
488.47815	0.2
627.01849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57193	0.1
57.50539	0.1
61.02922	0.2
68.99763	0.2
69.03408	0.4
70.08852	0.2
70.09185	0.3
71.04935	0.2
73.02903	0.3
78.84783	0.1
79.05466	0.4
80.00394	0.1
85.02894	1.0
95.04908	0.3
97.02859	0.2
107.04256	0.3
107.04948	4.0
115.04000	0.1
123.00780	0.2
126.06856	0.1
126.70299	0.1
127.03848	0.2
135.04414	2.0
137.02286	0.4
141.29367	0.1
145.04941	0.2
151.03891	0.7
152.04202	0.2
163.03935	0.2
169.01314	23.1
170.01688	0.4
195.27112	0.1
257.04480	0.2
261.03912	0.3
287.05576	0.8
288.05774	0.5
289.06110	0.5
303.04959	100.0
304.05301	2.8
329.22662	0.1
353.97693	0.2
465.10269	19.9
466.10297	0.8
498.79443	0.1
536.45538	0.1
627.15820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03157	0.2
53.03938	0.3
53.34116	0.1
55.01878	0.4
57.03432	0.2
65.03930	1.8
67.05500	0.7
68.99792	0.2
69.03432	0.7
69.90030	0.4
77.03934	0.3
80.02670	0.2
81.03415	2.9
85.02905	0.7
91.05467	0.8
91.33971	0.2
93.03397	1.4
95.04972	0.7
97.02910	0.9
98.23382	0.2
99.04435	0.4
103.05444	0.2
105.04498	0.2
108.02087	1.6
109.02876	1.1
110.03686	0.2
111.04439	1.6
118.04156	2.0
119.04975	0.5
121.02892	0.4
121.04031	0.2
123.04430	0.2
124.01582	0.4
125.05995	1.5
127.03918	0.4
127.10606	0.1
131.04962	0.3
136.01534	1.5
137.89465	0.1
141.05437	1.1
147.09900	0.1
151.03905	45.7
151.05011	4.7
152.01048	1.4
152.04266	0.7
153.01819	1.1
154.02612	1.1
164.00992	0.3
165.01852	0.4
166.99702	0.2
169.04939	3.7
169.06252	0.3
170.02046	0.5
170.07164	0.2
179.70197	0.2
181.01343	0.8
182.02068	1.0
195.96384	0.1
197.04449	2.2
197.06142	0.2
198.01602	0.5
200.03073	0.2
223.02332	0.2
225.05545	0.1
226.06224	0.4
236.04706	0.2
242.05795	0.2
253.04955	1.6
254.05734	4.6
255.06256	0.2
257.04465	0.4
264.04132	0.2
269.04370	0.8
270.05203	0.7
270.70203	0.2
271.05988	12.6
272.06406	0.3
281.04385	1.0
282.05203	5.3
283.05981	2.5
285.03961	0.5
286.04794	0.9
295.08115	2.4
299.05481	11.9
300.06262	16.3
301.06540	0.8
313.09149	0.6
315.08594	100.0
316.08957	3.1
652.44397	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	627.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46017	0.5
53.03926	0.7
55.01891	0.5
59.04850	1.6
60.05635	1.8
65.03937	1.7
67.05505	1.1
69.03415	0.9
70.06586	1.3
72.05614	1.4
81.03404	2.6
85.02890	0.8
86.03506	0.9
86.06038	1.9
87.07954	1.6
91.05463	1.4
93.03388	1.3
95.04955	1.1
97.02869	1.4
98.07207	0.7
103.05456	1.9
105.06971	0.8
107.04981	0.5
108.02094	1.8
109.02847	1.5
111.04438	1.4
118.04134	1.2
119.04965	0.8
121.02863	0.6
125.05984	1.4
127.07406	2.2
128.08209	3.2
131.04913	4.0
132.05269	0.7
136.01558	1.0
141.05513	0.5
144.93002	0.5
145.02817	0.6
147.04439	1.2
149.02307	0.7
151.03897	42.5
151.04991	3.7
152.01025	1.1
153.01785	1.4
154.02521	0.8
169.01308	0.8
169.04958	2.7
177.01865	0.7
177.05446	1.2
181.01318	0.9
182.02094	0.9
182.74715	0.6
191.03386	1.6
192.03783	1.1
197.04436	1.4
198.01625	1.0
205.04941	1.6
206.05365	0.6
213.00319	0.7
221.04445	0.7
223.02327	1.1
232.07144	1.1
250.08246	0.6
253.04845	1.3
254.05714	4.7
269.04355	1.0
270.05243	2.2
271.05975	12.4
272.06671	0.6
281.04358	0.7
282.05212	6.3
283.06021	3.8
284.06357	1.0
285.07474	1.9
286.04648	0.8
287.05280	0.9
288.05753	0.7
289.06320	0.7
295.07965	2.9
296.10010	0.7
299.05438	10.5
300.06247	13.8
301.06882	0.7
313.09210	1.1
315.08588	100.0
316.08890	4.4
329.06375	1.1
337.13553	0.7
340.97485	0.6
341.98169	0.6
355.15027	2.3
355.95953	1.6
356.15503	1.7
357.00400	1.8
359.99127	0.8
374.00833	0.7
375.01840	0.9
399.01974	0.6
492.00070	0.5
501.04407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
53.81504	0.5
53.82711	0.6
55.01857	0.8
59.04866	0.6
60.05626	0.7
65.03938	1.0
66.04720	0.7
67.05482	0.6
68.99785	1.8
69.03413	2.0
69.25485	2.2
70.06571	1.7
71.04982	0.6
72.05649	0.5
77.03933	1.0
79.05490	3.8
81.03414	5.4
81.07016	0.5
82.29957	0.5
84.08124	0.7
85.02906	3.2
86.03529	1.5
86.06049	0.7
87.00803	1.4
87.07976	0.9
91.05479	2.0
94.04188	1.6
95.04983	3.0
97.02893	1.2
99.04439	0.8
100.49779	0.6
103.05460	2.4
105.03406	0.6
105.04544	1.1
105.07014	0.8
108.05743	0.6
109.02854	2.4
109.06528	1.7
116.05815	0.5
119.04926	0.7
121.02863	1.7
122.03624	1.7
124.05202	2.1
126.06590	1.2
127.03924	2.2
127.07420	4.4
128.08223	7.0
129.08591	1.0
131.04900	4.7
132.05293	0.6
137.05971	1.3
139.07533	3.4
140.01030	0.9
145.02777	0.9
145.04866	0.9
147.04388	0.7
147.74840	0.5
151.03879	6.2
151.05017	0.7
152.00940	0.5
153.01814	0.7
155.07027	3.9
155.08107	0.6
165.05460	78.0
166.05791	1.5
168.00531	6.3
168.02779	0.5
169.05025	0.6
177.05519	0.9
179.03374	1.5
181.01321	0.6
182.95241	0.5
183.02914	6.8
183.06520	3.6
186.01591	4.5
189.09084	0.7
193.04988	1.4
205.04953	2.0
207.02859	0.6
213.00227	1.0
213.09109	1.3
217.89644	0.6
218.04544	0.5
227.06961	0.5
231.10097	0.8
233.08098	2.8
236.05563	0.8
241.08554	0.9
245.08049	1.7
246.08905	2.0
251.14186	0.7
254.12822	0.6
255.06380	0.5
258.05194	2.6
259.09674	4.0
268.03690	0.8
269.15286	1.3
271.06033	2.0
281.25638	0.6
282.12573	1.1
283.05954	1.1
285.04031	1.9
285.11182	3.0
286.04688	22.8
287.05029	0.7
297.14819	1.4
299.05527	1.9
300.06107	2.5
300.13519	7.7
301.07037	100.0
302.07285	3.3
309.09689	5.8
315.08582	12.6
315.15930	6.5
327.10754	1.7
333.13382	2.1
337.12622	0.8
340.11902	0.7
355.14542	0.8
356.15198	1.1
361.16409	61.7
362.16614	3.1
379.17523	9.8
627.20068	2.6
656.25806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.8
55.05501	9.0
59.04997	6.8
67.05502	25.9
69.07059	8.8
73.02930	6.7
75.04466	7.5
79.05502	27.5
81.07047	29.8
86.68239	3.7
87.04465	10.1
89.06020	16.9
91.05491	21.0
93.07042	21.5
95.04965	11.5
95.08597	19.2
97.06510	3.7
103.05471	5.6
105.03407	4.8
105.04499	3.4
105.07030	100.0
106.07358	5.4
107.08593	13.7
109.06505	5.3
109.10146	8.1
112.86221	3.9
117.07021	11.1
119.08590	15.8
121.06478	5.0
121.10125	12.6
123.08080	4.2
127.01629	8.2
129.07016	7.0
131.08551	15.3
132.10237	4.1
133.08606	9.1
133.10136	8.5
135.11703	6.6
139.01599	4.5
143.08560	6.6
145.10118	14.8
147.08051	7.3
147.11693	5.0
149.09607	5.0
149.13269	4.6
153.03204	5.8
157.10085	5.9
159.11710	8.6
161.13290	5.3
171.11711	4.0
177.11191	5.6
183.11633	5.1
187.14688	3.6
193.10249	3.8
197.13347	4.5
273.18491	5.2
275.20065	7.2
313.17813	5.3
608.44305	4.7
609.44519	11.0
626.45020	11.5
627.16162	5.9
627.25677	88.4
627.45880	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	627.2809
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01857	1.0
67.05483	1.9
69.23927	2.0
69.24348	1.8
77.31518	0.7
79.05489	0.7
81.07064	1.3
91.05466	1.1
94.06527	0.7
95.08642	1.2
105.07042	1.7
108.08107	0.7
109.10071	0.6
120.04406	1.1
122.06026	0.8
130.06430	0.9
131.07312	1.1
136.07584	2.1
138.09109	1.4
144.08078	1.0
146.09662	1.2
148.07500	0.7
172.07619	1.4
172.09950	0.8
174.09134	6.6
182.09735	1.3
185.07027	0.9
187.08678	1.2
187.12337	4.8
188.09203	0.7
188.10742	2.9
197.07086	0.9
197.10696	0.9
197.80733	0.7
198.09286	1.0
199.08667	1.0
200.09370	1.4
210.07684	1.1
211.08775	1.3
211.12428	0.8
211.23264	0.8
212.09363	1.2
213.10199	1.5
215.11729	3.3
223.08694	1.0
224.09358	0.9
225.10146	3.2
226.11053	1.0
227.11819	3.0
228.08908	0.8
229.13091	0.7
235.08705	2.3
236.09380	1.0
237.10257	1.5
238.10950	0.8
239.11761	4.8
241.13257	4.1
243.11266	29.7
244.11603	1.2
249.10274	2.1
250.11041	1.2
251.11755	2.3
252.08955	1.4
253.09763	2.8
255.11365	0.8
263.11798	1.0
265.09732	1.2
267.11258	9.8
268.11792	0.7
269.09561	0.5
269.12753	3.4
277.09723	2.0
278.10275	0.8
279.11307	1.2
285.12289	3.5
288.11569	1.1
291.11105	0.9
293.12827	0.9
295.10797	5.3
299.13992	1.1
300.11395	1.2
301.15540	4.4
302.12900	1.2
309.12473	3.3
314.12973	1.8
315.13638	0.9
316.10947	1.4
316.14462	1.2
318.12488	0.9
319.10736	1.8
319.14212	1.0
320.13895	1.7
325.15475	9.7
326.12808	1.4
327.13330	7.8
328.10757	2.6
328.14377	2.2
329.11743	2.2
330.12482	4.0
330.15906	1.2
331.13635	0.9
332.14044	0.8
334.15564	2.3
340.10913	0.8
340.14728	0.9
341.11905	0.9
342.12408	4.1
342.15918	1.5
343.12860	3.9
344.13995	3.3
345.14771	1.8
346.15585	2.3
348.13364	5.2
351.13409	2.0
354.12183	1.4
354.16095	1.1
355.13184	1.4
356.13785	4.1
356.17682	0.7
357.14932	2.4
358.11768	0.9
358.15515	4.1
359.16116	0.9
360.17441	1.1
362.15167	0.9
366.18106	0.9
368.14130	0.9
369.14868	1.2
370.11731	1.6
370.15756	3.1
371.16360	1.1
372.17084	5.5
373.13864	0.9
373.18149	0.7
374.14908	1.1
376.16769	0.7
382.15842	1.2
384.13113	1.1
384.17206	1.8
386.14902	2.7
386.19061	1.4
389.27029	1.1
398.15134	1.5
400.16400	3.3
402.14093	1.0
403.15875	1.9
406.18454	0.8
407.14926	1.2
408.16458	0.8
412.16476	0.9
414.18259	1.1
416.16150	0.9
417.16763	0.7
418.17603	2.7
419.18732	1.2
420.16824	1.5
421.16919	1.5
422.17596	0.9
428.16354	0.7
430.17682	1.9
431.18597	2.3
432.19455	4.2
433.20636	1.3
434.18521	0.7
435.14365	2.2
435.19260	1.2
436.19739	1.4
437.19739	2.8
444.18909	1.2
446.21014	0.8
447.22720	3.2
448.15100	1.0
448.20724	0.9
449.15939	2.0
449.20688	1.2
450.16562	1.6
450.22015	1.0
451.17355	1.8
451.22403	1.0
459.17795	0.8
460.18680	1.8
461.23514	2.2
462.23935	3.0
463.22028	4.4
464.18518	0.9
465.18796	15.0
466.19846	2.5
467.21106	0.8
473.19641	0.7
475.21967	0.7
476.20261	0.9
477.19464	1.8
478.20386	1.5
479.20328	6.6
480.21677	5.5
481.22198	3.8
489.22842	1.4
490.20856	2.0
491.20734	2.0
492.21597	4.6
493.22980	5.0
494.23480	1.2
504.21289	4.6
505.19733	0.8
506.22998	0.9
507.24158	5.9
508.20694	1.2
517.22455	2.5
520.21576	1.1
521.25269	0.7
522.25305	0.9
534.22791	0.9
535.23309	8.7
537.21082	1.0
539.26746	1.5
541.24030	1.3
549.24939	15.5
550.24792	1.1
552.23242	1.1
553.24487	1.7
563.22845	0.9
567.25983	77.8
568.26569	5.2
577.24213	2.3
581.27594	0.8
595.25433	57.4
596.25751	3.7
609.26666	1.2
623.76099	0.8
627.28052	100.0
628.28424	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	627.281
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
61.20431	0.7
67.05452	0.7
67.50716	0.7
69.69836	4.7
79.05450	0.9
81.07025	0.9
81.35558	0.6
89.05971	1.8
91.05418	1.3
93.07011	0.9
98.47209	0.7
105.07023	3.8
105.10850	0.7
106.06538	0.9
108.08022	0.9
127.01468	0.8
131.07237	1.4
132.04361	0.8
136.07506	1.9
143.08543	1.0
160.11241	0.9
172.07547	1.1
173.08273	1.1
174.09190	3.8
185.07068	0.8
187.08553	1.0
187.12283	5.0
188.10686	3.0
197.10735	1.0
198.09171	0.8
199.08604	1.0
200.09357	0.9
211.08722	1.7
212.09346	2.0
215.11795	3.6
219.51649	0.9
223.08739	0.7
224.09331	1.1
225.10220	3.2
227.11768	2.2
235.08537	1.6
237.10052	1.2
238.46788	0.8
239.11725	1.7
241.13338	2.8
243.11273	26.2
248.09529	0.7
249.10204	2.3
251.08159	0.8
251.11763	1.4
252.08951	1.3
253.09749	1.7
265.09573	1.0
267.11252	7.4
269.12842	2.5
277.09644	2.4
279.11478	0.9
285.12595	1.1
291.11081	1.4
295.10770	3.5
299.14127	1.2
300.11292	1.5
301.12292	1.3
301.15570	1.5
305.11813	0.9
309.12238	0.9
313.11929	0.9
314.12982	1.6
315.13766	1.4
316.10889	1.2
317.11743	1.2
318.12421	0.8
319.10690	2.1
325.15414	11.4
327.13455	4.0
328.10825	2.1
328.14380	2.3
329.11472	2.8
330.12292	3.7
330.15820	1.5
333.11234	1.0
334.15387	2.0
336.13431	1.2
342.12296	4.8
342.15945	1.3
343.13080	4.0
344.13919	3.9
345.14609	3.0
346.15469	3.3
348.13452	6.0
351.13376	1.5
354.12390	1.2
355.13058	1.1
356.13803	3.8
357.14703	2.5
358.15402	5.2
359.16415	1.2
370.11398	1.2
370.15482	2.4
372.13016	1.2
372.17267	4.2
374.14911	1.8
384.12903	0.8
384.17123	1.5
385.18039	0.8
386.15039	3.2
386.19211	1.0
387.15512	1.0
390.14407	1.0
398.14755	1.1
400.16525	3.5
404.16434	1.7
417.16962	1.2
418.16931	1.2
419.18488	0.8
420.16223	1.1
421.16708	1.3
422.17868	1.3
423.18039	1.3
430.17773	1.0
432.19751	4.2
433.17407	0.8
435.14276	2.3
435.19199	1.6
436.14783	1.3
437.19830	3.1
447.22687	4.3
448.15649	1.1
449.15421	1.9
450.16327	1.4
451.17651	2.4
460.18631	1.1
461.23691	2.5
462.24051	3.1
463.22125	3.7
464.22638	1.1
465.18784	16.6
466.19608	1.7
474.20651	1.0
477.19153	1.6
478.19769	1.7
479.20438	7.2
480.21484	5.0
481.22318	4.5
489.22934	1.2
490.20840	2.3
491.20804	2.2
492.21317	3.7
493.22110	3.3
494.23465	1.2
504.21185	2.1
505.19363	1.0
506.22632	1.3
507.23981	6.0
508.21225	2.7
517.22369	1.2
520.20825	0.9
522.24561	0.9
535.23297	8.3
536.23938	1.4
537.21344	1.3
549.24823	15.9
552.23425	1.1
553.24774	2.0
567.25977	93.4
568.26404	5.4
577.24371	2.1
595.25446	100.0
596.25726	7.0
599.27887	0.9
627.28064	39.9
628.28387	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	628.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.8
55.01873	2.8
68.05023	2.7
68.99786	17.2
69.03425	3.5
70.06589	22.0
71.43376	2.0
83.12132	1.6
85.02911	7.5
87.04461	10.3
91.05479	5.8
93.60223	1.6
95.01348	1.7
95.04935	4.4
96.04493	6.2
98.06049	45.7
100.02823	1.6
103.05462	32.8
105.03419	3.0
105.07003	8.5
107.04990	1.9
110.06036	4.9
112.08737	1.9
123.04354	1.9
124.03894	2.0
126.05510	26.2
131.04922	100.0
132.05283	5.0
138.01869	4.8
138.05487	2.1
139.00267	4.8
140.03438	4.3
140.07085	2.8
144.91194	1.8
147.04445	6.0
151.03859	3.1
152.03400	15.5
153.01892	3.3
164.03380	2.6
164.07140	1.8
166.01366	6.3
166.04991	3.9
166.99782	5.3
167.02171	6.8
168.02927	35.9
168.06558	2.6
177.05426	2.3
180.02904	60.2
182.04495	2.2
182.99319	2.5
184.02454	2.0
185.00798	17.0
185.03177	3.5
190.04987	2.4
192.06465	2.7
198.04021	3.7
206.04465	3.3
207.02876	7.2
208.06041	6.3
212.01866	3.0
212.05527	4.5
213.00325	7.0
214.00531	1.9
216.03070	1.9
218.04416	3.0
222.03975	2.3
223.02406	2.2
225.06241	3.6
234.03972	5.6
236.05536	49.4
236.07932	2.7
240.05045	4.4
242.08067	2.0
244.02522	1.9
246.03947	1.9
253.05730	5.1
255.06509	2.4
257.08105	8.2
262.03522	13.2
267.06793	1.8
271.06018	13.6
271.08530	3.0
272.02072	2.1
272.06390	2.4
272.09177	21.7
280.04486	17.0
284.06561	2.1
284.09167	39.6
288.04877	2.9
289.06921	2.4
296.12869	2.6
298.06992	2.1
299.05612	2.4
299.09174	8.1
300.06415	1.9
300.09409	10.6
310.10471	2.5
314.14072	2.0
315.08377	1.9
322.11206	2.1
338.10199	7.0
340.11780	55.8
356.04160	3.0
356.11215	15.5
357.12045	62.3
358.12823	77.4
359.13242	2.4
366.02722	2.9
366.09689	56.4
367.10037	3.5
384.03784	2.4
384.10947	7.3
422.08621	2.3
444.10773	1.9
488.09766	10.3
506.10626	8.9
524.11707	7.9
526.14636	2.8
551.12463	1.9
592.15961	8.5
593.15344	3.9
597.25104	1.8
610.17126	16.2
628.18408	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	628.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01865	6.9
57.03426	5.9
61.02924	8.5
63.36576	1.7
63.77927	1.9
67.05509	2.3
68.99778	4.6
69.03427	30.7
69.58638	5.1
70.06590	4.3
71.04984	5.9
73.02907	7.4
73.65608	1.7
81.03414	26.3
81.07053	3.8
85.02901	100.0
87.00828	38.8
87.04463	5.5
89.06015	4.8
91.05453	2.6
93.07037	3.0
95.04919	2.2
97.02890	35.4
98.23405	2.7
99.04456	12.5
101.02416	2.0
103.03922	3.7
103.05431	3.4
105.01866	59.0
109.02870	30.7
115.05473	3.9
116.06215	2.4
117.01810	2.5
119.28855	2.0
121.02840	4.2
127.03912	64.5
127.04869	3.1
128.06210	5.8
129.01814	4.6
129.07062	2.1
131.04878	2.6
132.05679	5.3
133.08533	1.9
141.06963	2.5
142.07774	2.9
145.04958	28.4
147.02896	2.0
147.04425	3.3
151.03918	2.3
153.06992	4.2
154.07745	4.2
155.08546	7.0
159.02901	11.8
165.07053	6.2
168.05710	7.1
170.07280	2.0
176.80887	1.9
181.04947	5.3
181.06400	2.5
182.07259	2.5
183.08047	81.4
189.03934	6.4
195.08041	2.1
197.09578	16.6
207.08113	4.4
209.09613	3.4
213.03992	5.6
221.09641	11.2
223.07602	3.2
225.09065	16.2
231.04913	18.5
235.11121	2.8
237.09062	9.7
249.06050	6.4
249.09108	10.8
261.09003	3.2
263.10690	6.4
267.10217	3.6
273.09103	8.4
291.10190	18.3
299.05536	2.0
309.11142	12.5
327.04965	5.1
395.11322	3.7
413.12076	6.4
462.38821	2.1
628.08636	2.3
628.29565	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	628.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
52.03175	0.2
53.03944	0.7
55.01880	0.4
57.03430	0.3
59.04998	0.4
62.55710	0.2
65.03943	2.7
67.05503	1.5
68.74644	0.2
69.03448	1.3
70.06583	0.3
77.03963	0.3
78.03436	1.2
81.03418	5.4
84.32304	0.2
85.02907	2.0
91.05478	0.3
93.03406	2.1
95.04964	1.0
96.04491	85.0
97.02880	1.7
97.04829	1.0
98.22706	0.5
99.04469	0.5
105.04523	0.3
108.02084	2.0
109.02875	2.5
110.03631	0.5
111.04443	3.3
121.04002	0.3
125.05981	2.7
127.03947	1.3
131.04935	0.7
132.90517	0.2
136.01541	0.4
136.07594	0.9
137.05896	0.3
141.05479	2.3
145.04991	0.4
147.04404	0.4
151.03908	100.0
151.04987	7.5
152.04234	1.9
153.05470	0.2
154.08624	44.5
155.08981	1.2
169.01292	1.0
169.04962	9.3
176.98952	0.2
181.04951	3.3
185.69397	0.2
275.13422	0.2
287.05502	4.4
295.04947	0.5
295.08124	5.8
313.09131	5.8
316.13968	1.7
325.09106	0.2
328.11743	0.3
353.13773	0.4
355.62878	0.3
450.70062	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	628.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.6
51.02366	0.5
53.03936	1.0
55.05522	0.5
61.94829	0.5
67.05485	1.8
69.53607	2.6
70.43705	0.6
75.79227	0.4
78.03448	6.4
79.05464	1.1
80.05012	5.8
81.07028	2.3
85.06506	0.6
89.05998	0.7
91.05490	2.1
93.07031	1.3
95.08601	1.8
96.04481	6.8
97.02882	0.5
97.06506	0.8
105.07033	3.1
106.02905	18.3
107.08559	1.7
109.10139	0.8
117.07004	1.1
119.08559	3.4
121.10138	1.4
123.08076	0.6
124.03941	100.0
125.02360	0.7
125.04242	0.9
130.09715	1.3
130.15903	1.1
131.08559	1.3
133.10112	2.1
135.08055	0.6
141.60995	0.5
143.08559	1.7
144.09290	0.6
145.10133	4.5
147.08090	0.7
147.11703	1.0
156.09319	0.7
157.10124	2.0
159.07986	0.6
159.11667	2.9
161.09612	0.8
161.13228	1.0
169.10152	0.8
170.10898	0.7
171.11638	1.7
173.09579	0.6
173.13268	1.7
175.11206	0.8
182.10921	0.6
182.43152	0.6
183.02788	0.6
183.11691	1.2
183.59834	0.6
185.13249	1.6
187.14781	7.0
189.12724	0.8
193.10165	0.6
195.11743	0.7
197.13220	0.7
198.13954	1.1
199.15002	0.6
203.14246	1.3
205.15839	0.9
209.13051	0.8
211.14804	0.7
216.14935	0.6
217.15800	0.8
223.14729	0.5
241.15974	0.8
255.17297	0.5
262.66983	0.5
283.16986	0.6
287.16379	1.4
301.18021	0.8
311.16412	2.8
329.17392	3.6
434.19580	1.2
452.20853	0.9
568.25134	5.1
628.17584	0.8
628.27496	14.9
628.37701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
53.82533	0.1
67.05504	0.2
68.05029	0.1
73.02930	0.2
78.03451	0.4
80.05016	4.3
87.04463	0.3
89.06009	0.4
96.04488	3.2
105.07000	0.4
119.08540	0.1
124.03947	100.0
125.04303	1.1
127.01564	0.2
131.08607	0.1
133.08604	0.2
140.03430	0.1
157.10120	0.2
167.72705	0.1
170.10907	0.4
185.13251	0.4
205.09204	0.1
311.16309	0.2
329.17459	0.2
479.34488	0.1
628.26984	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	628.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	6.7
66.99022	0.9
69.20023	5.0
70.06566	1.0
71.04987	1.3
72.65347	0.9
73.02911	5.9
73.06543	2.7
78.99496	1.6
81.03416	1.8
87.04462	18.9
89.06023	100.0
91.05414	0.8
96.04455	1.4
98.23438	2.2
103.07571	5.7
107.07052	2.8
112.99990	5.4
117.09115	1.8
124.03951	1.1
127.01556	51.5
131.04965	1.2
131.07037	4.5
133.08592	52.4
137.05984	5.6
139.01532	20.1
147.10162	3.1
151.03824	1.8
153.03104	60.6
163.07594	2.3
175.09726	2.3
177.11200	15.1
177.12601	1.6
180.06564	1.0
183.04155	9.4
197.05716	27.7
221.13866	3.0
227.06847	4.4
241.08344	7.8
259.09320	1.3
271.09366	3.0
285.10941	3.6
303.11719	1.0
315.12003	2.0
327.16006	1.5
329.13718	1.5
347.14490	1.4
435.19595	1.2
611.30121	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	628.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03945	0.9
66.82516	0.4
67.05492	0.8
69.73474	0.4
69.76325	1.2
69.76703	0.7
73.06539	0.8
77.03917	0.7
77.62415	0.4
79.05489	5.5
87.04465	5.6
89.06029	39.4
89.56846	0.5
91.05479	6.5
93.07048	3.3
95.04964	3.3
98.23317	0.6
103.05473	6.1
105.04527	1.0
105.07025	100.0
106.07354	1.8
107.04948	1.3
107.07083	0.8
117.07026	1.2
118.42174	0.4
119.04900	0.8
119.08583	3.6
121.06497	19.7
128.06181	0.5
129.07010	2.0
130.08595	0.4
131.07033	1.5
131.08553	4.1
133.08597	26.2
134.08963	0.7
139.01633	0.4
142.51791	0.5
145.06497	0.7
147.08040	19.3
149.09618	4.3
165.09111	3.8
167.10686	0.5
175.09685	0.5
177.11220	9.8
177.82520	0.4
181.10120	0.8
191.10675	0.6
193.12227	0.7
209.11688	2.1
221.13837	1.5
223.11208	1.6
225.12730	10.3
225.14803	0.8
249.12730	1.4
251.14307	1.7
253.14244	0.7
269.15323	5.3
271.15503	0.5
283.17535	0.5
295.17044	0.5
313.17975	2.0
315.17941	1.1
329.18896	0.6
359.20685	1.2
373.21561	2.7
403.23230	7.8
463.26785	0.7
507.29657	5.6
611.35699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02367	0.6
51.61611	0.3
53.03940	0.5
56.25959	0.3
56.29523	0.3
67.05491	0.7
69.93444	0.6
69.93808	0.6
70.06570	0.3
72.32372	0.3
73.02914	0.6
73.06547	0.8
74.54282	0.3
77.03935	1.0
79.05491	5.8
80.05805	0.3
87.04462	5.9
89.06024	41.2
91.05477	6.1
93.07039	3.0
95.04958	3.4
95.08601	0.5
98.22682	0.3
103.05469	5.5
105.04615	1.5
105.07021	100.0
106.07331	1.5
107.04945	1.1
107.07051	1.1
107.08549	0.4
117.07006	1.4
117.09100	0.5
119.04926	1.6
119.08584	3.2
120.08857	0.3
121.06499	22.7
128.06210	0.6
129.06987	2.6
130.01112	0.3
130.08638	0.7
131.06102	0.3
131.07036	1.5
131.08557	5.6
132.05736	0.3
133.08595	29.4
133.10168	1.1
134.08893	0.5
135.08058	0.6
135.10068	0.4
139.01529	1.1
139.33636	0.3
145.06454	0.9
147.08035	20.5
149.09607	4.0
158.06299	0.3
163.11272	0.4
165.09111	3.9
173.09555	0.7
175.09651	1.0
177.11203	10.3
179.08522	0.3
181.10088	1.0
191.10645	0.8
193.12271	0.4
209.11626	2.3
209.13316	0.5
221.13823	1.9
223.11188	1.7
225.12732	11.9
226.13040	0.4
227.12839	0.4
235.72412	0.3
249.12683	0.9
251.14366	2.0
253.14371	0.5
269.15405	5.5
271.15268	0.5
283.17474	0.4
295.16763	0.4
313.18042	1.6
315.17877	1.6
329.18845	0.5
359.20599	1.5
373.21613	3.0
403.23221	8.7
419.24298	0.5
463.26440	0.8
507.29434	6.6
611.35083	1.0
628.36713	0.4
628.46564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	34.3
60.32145	4.9
66.57114	4.6
69.07076	6.3
69.07638	11.4
69.08047	20.9
70.26801	4.0
71.08627	33.7
73.06535	5.4
84.38299	3.9
85.10191	17.2
87.04456	9.7
89.06030	100.0
98.22718	11.1
105.11855	4.7
110.63155	4.4
111.11705	6.7
117.09113	7.4
120.22556	4.7
133.08594	69.8
138.05408	4.2
155.38066	4.0
161.11722	6.0
177.11232	24.2
221.13930	5.4
304.16116	4.6
415.25180	7.1
455.52078	4.5
479.88779	5.7
484.26675	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	629.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
57.93966	0.2
60.79456	0.1
61.57140	0.1
64.59151	0.2
65.03931	3.1
67.05494	0.9
68.99798	0.4
69.03424	1.0
69.65540	0.6
70.06578	0.6
75.20424	0.2
79.05477	0.2
81.03413	2.9
82.04186	1.0
85.02901	2.7
91.05470	5.5
93.03410	0.7
95.01302	0.5
95.04951	1.1
97.02880	1.6
97.06519	0.7
98.03214	0.3
99.04437	0.3
103.05453	0.2
103.98042	0.2
105.04479	0.2
107.08546	0.2
108.02106	0.5
109.02873	1.1
110.03633	1.5
111.04424	0.6
113.02366	0.2
119.04944	2.5
121.02872	0.8
123.00804	0.8
123.04400	0.7
125.02306	0.2
125.05977	0.7
127.03900	0.5
131.04890	0.7
138.03096	0.5
140.04684	2.3
142.02550	0.4
143.33990	0.2
151.03891	0.8
153.05446	1.8
155.07028	1.0
166.02557	0.2
169.01306	27.9
170.01703	0.6
171.06503	2.9
181.04932	71.4
182.05280	1.6
199.05949	1.7
207.02853	0.2
221.04330	0.2
228.96915	0.2
237.39636	0.2
245.04475	0.5
259.05969	0.3
269.04541	0.2
286.04709	0.2
287.05457	100.0
288.05795	3.8
317.06519	0.5
325.09171	4.6
326.09268	0.2
343.10254	1.9
439.98303	0.2
454.91513	0.2
467.42734	0.2
499.20993	0.3
629.16394	0.7
629.27954	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	629.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.89156	0.5
60.48600	0.5
65.03921	2.1
68.99774	1.1
70.06562	2.1
71.42953	0.5
75.42948	0.5
77.03909	0.7
79.05505	0.6
80.04959	0.5
81.03408	9.7
81.07027	0.5
84.04494	0.6
91.05471	2.9
93.03380	0.7
94.02901	1.8
95.01320	0.6
95.04932	1.4
96.04491	0.9
97.02905	0.8
103.05459	19.0
105.03368	0.9
105.06976	0.8
107.04958	3.0
107.08573	0.6
108.04441	1.1
109.02862	1.3
110.02393	3.0
112.03970	0.6
119.04916	1.8
120.04487	0.8
121.02876	3.3
122.02357	0.8
123.04449	0.9
129.06958	0.8
130.48631	0.5
131.04918	61.9
132.05246	1.8
135.04373	1.7
136.03897	0.8
137.02333	0.7
138.01781	0.7
140.03419	10.8
147.04399	1.5
149.02327	7.7
150.01762	0.8
151.03891	1.4
152.03369	0.7
155.04855	0.6
163.03900	5.5
164.03397	1.8
165.06941	2.1
167.03381	12.6
168.02905	43.0
169.01332	0.9
169.03259	0.6
171.04437	0.6
173.05951	1.8
176.03424	4.7
177.01811	14.3
178.01318	4.9
178.04909	1.0
178.07764	0.9
179.08492	1.1
181.04988	0.9
187.03894	15.6
188.03375	1.7
189.06944	4.0
190.01407	1.2
190.05025	0.9
190.07756	7.2
191.08536	28.7
192.02904	1.3
192.08838	0.7
194.00890	0.6
194.04434	3.4
195.02884	17.7
195.04718	0.8
201.06921	3.9
202.07730	2.5
204.02930	3.4
205.01318	14.5
205.06505	1.1
206.04466	1.7
207.02905	1.5
207.08035	3.6
212.03505	0.7
214.01268	1.0
215.07031	12.1
216.02872	1.7
217.06413	1.7
218.00749	0.7
218.07228	9.8
219.08032	79.2
220.06165	1.0
220.08394	1.8
222.03951	5.3
223.02373	5.4
229.05219	1.2
229.07599	7.2
231.02779	0.6
232.02367	2.7
233.08070	2.5
234.04086	2.9
235.07523	8.1
237.09070	6.5
243.06390	0.6
244.02377	0.7
247.08615	1.9
253.08603	6.9
255.02882	2.6
257.04333	0.7
258.03961	1.3
260.01852	1.5
262.03455	1.0
263.07019	72.2
264.07324	2.2
270.04523	0.6
273.04202	0.8
273.07581	0.9
280.09653	4.9
281.08102	4.4
284.01929	1.0
285.06332	0.7
286.04080	0.7
286.07135	3.4
291.06491	100.0
292.06799	3.2
295.05948	2.1
296.05582	0.9
298.03406	0.9
298.10684	0.8
302.02881	1.5
304.08167	19.9
308.09140	51.4
309.07465	23.7
310.08084	0.6
312.01126	0.9
314.06552	0.8
320.03787	0.6
326.03015	1.9
326.10190	10.3
332.05399	2.4
336.01303	0.7
344.03821	1.4
350.06927	0.8
354.02463	2.1
376.34836	0.6
378.06253	0.6
396.07172	1.1
402.05948	1.1
412.08249	1.4
416.07614	1.2
439.11456	1.2
444.07214	2.1
458.08478	1.2
462.08109	1.6
476.20508	0.6
480.09232	1.8
489.09183	1.6
490.07516	2.5
507.10367	4.9
508.09012	1.3
525.11639	0.8
530.12378	1.1
548.13501	2.3
549.14185	0.9
566.14447	1.4
576.12347	2.9
584.15662	4.8
593.15552	2.5
594.14050	6.2
595.13812	0.8
611.16693	3.2
612.14825	7.8
629.17767	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	629.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36966	1.0
60.05651	0.9
68.99799	4.5
69.18607	3.3
69.19011	2.6
70.06567	1.5
79.99567	0.9
80.25058	1.0
80.50990	0.9
88.01168	1.1
91.05467	5.7
95.01345	4.9
95.04952	2.1
103.05465	27.7
103.06107	1.7
103.70629	0.9
105.03378	2.2
105.07023	2.8
115.05451	9.9
121.02954	1.5
124.03967	1.2
127.64993	0.9
128.06282	3.0
129.06995	7.8
129.94115	1.0
131.04922	100.0
132.05283	3.4
138.01875	4.0
139.05441	1.1
141.07076	1.5
142.06525	4.0
147.04425	1.4
150.01872	1.5
152.03487	1.1
153.07018	2.0
155.04889	1.5
155.08553	1.5
156.08098	1.3
157.06483	7.4
163.04036	1.3
165.07043	3.0
166.01367	3.4
167.02168	3.3
167.08604	1.2
168.02924	7.7
168.08095	2.0
169.01344	1.2
170.06020	4.3
171.04376	1.6
175.03804	1.3
177.07028	1.3
178.01427	2.4
181.06586	1.9
182.06079	1.7
186.09116	1.4
190.01305	1.7
191.03473	1.2
192.02893	6.0
198.09079	1.3
199.03920	6.6
205.06459	2.1
207.02916	3.5
209.05977	2.0
210.05621	1.5
210.09158	1.2
212.07045	12.4
213.05537	2.5
218.00827	9.0
220.02467	2.5
221.04439	1.5
222.09195	1.5
223.07437	1.2
224.07103	3.3
225.05527	3.5
226.08665	2.1
228.03036	1.4
230.04562	1.6
233.06105	1.9
234.09053	1.7
238.05023	4.0
238.08612	2.2
241.04938	6.0
246.04115	1.3
248.01807	1.5
250.08742	1.3
251.07126	3.2
252.06688	2.3
254.08138	3.1
256.02469	2.1
256.05945	6.1
258.03967	4.0
258.07706	2.5
258.65176	1.1
259.06116	1.6
261.05493	1.8
262.08649	2.8
264.06516	1.6
266.08255	2.8
268.02515	2.6
270.04065	2.3
270.07687	1.8
271.08536	2.3
272.01935	1.5
272.09238	6.2
277.04944	1.6
278.08176	4.4
280.06006	24.2
280.09042	1.8
281.06253	1.3
282.07697	3.3
286.03577	3.0
288.01450	1.7
290.08185	3.0
292.06100	2.2
294.07715	2.4
296.01971	2.8
296.09198	13.0
298.07056	2.7
300.01443	2.1
305.04315	1.4
306.07608	2.6
308.09280	1.5
312.01343	3.6
314.03030	3.7
316.01053	2.4
316.05896	1.4
318.07712	1.4
322.07077	10.2
324.01404	4.3
330.07291	1.2
334.07144	3.8
336.18109	1.2
340.01004	2.1
340.08307	2.8
340.19827	1.1
342.02509	2.7
352.08121	2.9
353.96783	1.0
357.11530	1.2
358.07172	1.3
360.08740	3.2
362.10220	5.5
366.06061	1.2
368.00266	1.3
376.07910	5.3
384.12311	26.1
385.12375	1.3
392.07751	1.6
400.08063	3.2
404.07718	1.3
416.07587	1.5
418.09143	4.6
420.07123	2.8
426.05994	1.4
426.13470	2.5
428.07596	6.1
438.13260	3.1
439.14047	1.4
443.08154	1.7
444.06757	4.8
446.08456	5.5
456.14417	3.6
462.11975	6.4
463.10989	1.3
464.10263	1.1
472.06314	5.2
480.14255	2.7
489.09256	3.2
490.07248	2.1
500.12769	1.5
504.14340	2.8
506.11710	1.9
507.10629	3.0
508.13852	2.7
522.15564	3.0
524.13232	11.5
532.13849	6.1
547.15186	2.1
548.13562	3.2
549.16669	5.2
550.14948	17.1
558.11804	2.0
565.16101	1.6
566.14325	2.7
567.17639	10.8
568.15637	1.4
575.14734	3.4
576.12939	15.5
585.18518	4.6
593.15558	21.9
594.14087	12.5
611.16522	24.1
612.17157	2.3
629.17590	60.8
630.17773	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	629.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16400	0.4
69.11573	3.0
81.07063	0.7
85.02890	0.6
85.42810	0.4
87.04505	0.5
89.06058	0.6
93.06995	0.7
112.88258	0.5
113.85416	0.5
124.03948	0.5
140.04472	0.8
149.06017	0.5
151.03935	0.7
193.35193	0.5
257.04443	0.9
257.57401	0.5
269.17474	0.7
270.17932	1.1
285.04025	2.7
286.05246	0.5
361.10602	1.0
365.10028	0.6
377.10095	1.6
380.12326	1.7
381.13171	0.9
392.12274	3.1
393.13196	0.6
395.10950	2.6
410.13345	7.1
485.17862	1.9
532.10895	0.6
537.21301	0.6
567.22046	16.6
568.22485	1.3
569.19800	1.9
599.21301	0.7
611.20923	2.8
629.21997	100.0
630.22314	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	629.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63504	0.5
69.26414	3.2
70.06590	1.9
84.04503	0.6
84.08154	0.9
85.02885	0.8
86.09711	0.9
98.23462	0.8
121.02878	1.9
127.39568	0.5
147.04419	0.8
177.05565	0.9
216.84528	0.5
357.06647	0.6
629.31378	100.0
630.31799	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	630.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32424	0.5
66.93182	0.5
68.99773	1.1
70.06239	1.5
71.81750	0.6
75.00132	0.6
81.04549	4.0
91.05413	0.6
93.04514	11.0
95.02440	1.5
99.52177	0.6
103.05463	7.4
105.04510	3.5
107.02419	0.9
108.71444	0.6
109.03998	5.3
113.03469	3.0
118.04034	1.4
121.03967	1.6
131.04922	15.0
133.03957	1.7
138.01802	1.0
144.37758	0.6
148.67670	0.6
153.01799	4.4
153.02911	1.7
159.04198	1.7
160.05101	0.8
161.03389	2.9
166.01294	1.0
166.99782	1.5
167.02151	0.9
174.02942	1.1
177.02939	4.1
178.01360	10.9
179.03337	2.3
185.00810	0.8
187.03806	1.1
189.02939	41.2
190.01277	1.7
190.03105	1.2
201.02939	5.1
202.01340	1.4
203.00877	1.1
205.02364	0.8
207.03957	0.7
207.47632	0.6
208.02390	3.7
214.02473	6.6
214.06062	0.8
215.03247	2.7
217.02432	84.3
218.00824	4.8
218.02846	2.0
225.05357	1.8
228.04092	1.7
229.02419	7.6
230.05647	0.8
235.03464	0.9
238.71988	0.6
240.04076	0.7
242.01968	8.1
243.02718	5.7
251.08231	0.7
254.05544	2.3
255.04112	0.9
255.06526	2.5
256.03543	3.3
257.01968	0.9
257.08194	4.4
261.03842	3.2
268.03464	3.3
270.05157	6.9
282.04987	1.8
282.07639	7.0
294.07541	1.1
296.03192	1.5
298.04517	2.2
309.04016	0.7
310.04642	1.1
320.03027	0.9
322.07193	2.3
324.02646	0.8
326.03967	3.8
338.03946	3.4
344.09995	0.9
348.02551	0.8
352.02338	0.8
366.03543	4.4
367.01971	0.7
372.09824	2.3
374.11288	2.6
377.00153	1.0
386.11450	1.4
394.03052	15.4
400.09390	2.7
402.10730	1.4
412.04010	0.9
428.08731	1.3
430.10345	6.9
433.05374	0.6
442.10260	3.3
456.08078	1.4
469.08990	1.3
470.09671	4.2
472.11057	0.9
480.08298	0.6
481.06729	1.1
498.09280	81.5
499.09534	4.5
516.10205	1.6
526.08728	12.5
549.83337	0.8
560.14301	0.9
561.23401	0.7
602.15527	83.3
603.15753	6.1
630.15015	100.0
631.15277	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	630.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
57.03417	0.6
57.23244	0.4
58.17815	0.4
65.03935	2.7
66.23189	0.5
67.05498	0.8
69.03418	3.4
69.25474	2.5
71.05004	0.6
73.02903	0.4
79.05482	0.7
80.01743	0.4
81.03415	4.6
81.07043	0.6
85.02908	4.4
91.05468	3.4
93.03403	3.1
93.07024	1.1
95.04963	1.4
95.08593	1.1
97.02891	2.9
98.22768	0.7
99.04464	1.3
103.05470	0.9
105.07011	1.1
106.04160	1.7
107.04923	0.7
108.02097	1.1
109.02864	2.7
111.04441	4.2
115.05575	0.4
119.04910	3.2
121.06509	2.3
124.25402	0.5
125.05960	4.1
127.03913	2.5
127.54618	0.4
131.04904	1.0
135.08113	0.7
141.05435	1.3
145.02800	0.8
145.04958	0.6
147.04385	3.8
149.05959	3.6
151.03902	100.0
151.04958	5.9
152.04216	2.1
153.09038	0.5
161.06010	0.4
163.03920	0.9
163.07521	0.7
165.12706	0.4
167.06947	0.7
169.01321	1.9
169.04950	15.0
175.03874	4.5
175.11133	0.4
177.05492	2.4
179.06995	0.5
181.04982	0.5
181.08603	1.1
193.08592	0.6
205.04892	2.1
207.06497	9.5
209.08070	12.1
211.13275	0.7
217.12288	1.3
223.06023	3.1
235.13251	2.3
240.09808	0.5
253.14331	3.5
271.15421	1.0
289.07007	4.0
289.16391	1.4
295.08105	7.2
313.09167	14.2
313.35394	0.5
314.09372	0.8
318.07040	0.7
347.18631	1.2
351.10590	0.7
365.19617	1.9
367.10294	1.3
369.11743	1.0
472.19305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86530	0.9
55.01867	1.7
60.60476	0.9
61.02901	0.9
65.03928	3.8
67.05503	1.2
68.99771	2.1
69.03436	7.4
69.75552	2.6
73.93684	0.9
75.04482	2.0
78.04697	1.3
79.05482	1.7
81.03399	2.7
85.02895	6.4
89.03909	2.3
89.06042	1.3
91.05472	16.1
93.03389	9.8
93.07037	3.2
95.04950	5.0
97.02885	3.2
97.06511	1.8
103.05446	5.1
105.01850	1.0
105.03353	1.2
105.04523	1.0
106.04169	19.9
107.04950	3.3
107.08561	1.1
109.02888	1.4
109.06506	1.2
111.04446	2.4
115.05450	1.0
117.03378	2.3
119.04939	12.8
121.06497	20.6
122.34027	0.9
122.34957	1.0
124.05224	1.0
125.05982	6.7
127.03905	3.8
131.04939	1.8
133.06479	1.8
134.03622	4.0
135.04401	4.1
137.05959	2.4
139.07506	2.3
145.02840	1.6
147.04401	9.7
148.05168	1.6
149.05966	32.3
151.03900	41.7
151.04970	2.6
151.07573	2.6
152.04243	1.8
153.05463	2.4
153.09096	7.5
157.03938	1.6
160.05090	1.4
162.03094	1.3
163.03905	4.9
163.50310	0.9
165.05533	1.2
166.06238	1.1
167.07068	4.9
169.04968	6.5
175.03893	19.7
176.04573	1.5
177.05457	19.4
179.06996	2.8
180.04230	1.6
181.05072	1.0
181.08588	14.8
191.03415	1.3
191.07050	6.5
192.07814	2.3
193.04886	0.9
193.08582	2.3
195.06570	2.1
205.04921	6.7
207.06514	34.8
209.08076	100.0
210.08614	2.0
218.67696	1.0
222.05438	0.9
223.06004	16.4
225.07556	1.8
253.01367	1.0
268.79428	0.9
295.07999	3.7
297.29095	0.9
313.09210	4.4
351.10681	2.1
367.10101	4.8
369.11874	6.8
385.11478	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2654
Annotation	Leptosin S
Peak:m/z	Relative Intensity
50.01584	0.5
55.05526	0.6
55.23937	0.4
59.03737	0.4
67.05500	0.7
69.07066	0.5
69.21099	2.4
76.69660	0.4
79.05494	0.6
79.92532	0.4
81.03409	0.9
81.07056	1.3
82.50127	0.5
86.60081	0.4
87.04507	0.5
89.06051	1.4
91.05470	2.0
93.07043	2.2
95.04350	0.4
95.04977	1.3
95.08630	1.3
97.06543	0.5
97.30805	0.5
101.02328	0.6
102.03191	1.0
105.03390	0.7
105.07038	3.2
106.02910	0.8
107.08620	1.5
109.06561	0.6
109.10178	1.0
117.07076	0.7
119.08591	2.4
121.10151	1.2
124.03953	5.0
125.04327	1.1
127.01653	0.8
131.08601	1.4
133.08606	0.5
133.10175	1.6
135.08090	0.7
135.11615	0.4
141.06996	0.5
142.07773	0.7
143.08514	1.1
145.10136	1.8
146.02129	7.3
147.08127	0.5
147.11659	0.6
157.10162	1.4
159.08095	0.5
159.11717	0.8
161.09564	0.5
163.11203	0.5
169.10181	0.9
170.10762	0.8
171.11691	0.7
183.11693	0.8
187.14851	0.8
189.12932	0.5
193.04881	0.5
195.11679	0.5
197.13374	0.6
209.13170	0.6
211.11337	0.5
211.14929	0.6
221.07961	2.0
221.13423	0.4
233.07787	0.6
235.09418	5.3
249.07405	1.9
252.52383	0.5
255.13844	0.7
264.09744	0.8
265.10583	0.7
287.49911	0.5
332.09042	0.6
385.19824	17.9
386.20093	0.7
507.23340	1.0
508.23007	11.5
509.23721	0.5
630.26733	100.0
631.27173	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	630.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01880	1.5
55.05513	3.3
67.05504	5.3
69.03436	5.4
69.07066	4.4
69.16510	3.4
69.16896	2.7
69.53023	1.1
70.06586	2.4
71.04990	4.3
79.05479	5.7
81.03391	2.9
81.07051	21.3
83.04985	7.3
83.08629	2.4
84.04486	1.5
84.08134	1.7
85.02904	6.7
85.06541	2.9
86.09735	2.2
91.05497	4.7
93.07042	18.9
95.04979	4.3
95.08607	17.1
97.02850	1.8
97.06525	12.0
99.04465	9.8
105.07039	10.9
107.04932	1.9
107.08588	11.7
109.06515	12.6
109.10120	3.0
111.04454	1.3
111.08075	9.7
113.39734	1.0
119.08562	6.4
121.06499	39.1
121.10149	2.0
123.04429	1.5
123.08080	3.3
123.11660	2.7
124.03938	14.6
125.05975	7.8
127.03951	2.5
127.07558	4.9
129.06946	1.9
131.08495	2.2
133.10127	9.2
135.04413	2.0
135.08069	4.1
137.05959	3.4
139.07532	9.8
141.05510	1.3
143.07054	4.2
143.08603	2.7
145.04930	1.2
145.10129	2.6
147.04364	1.6
147.08055	2.4
147.11673	21.9
147.45009	1.2
149.13272	2.4
151.11201	3.8
155.13490	1.1
157.06541	1.2
157.08746	6.1
157.09938	6.2
159.06546	7.6
161.05994	1.2
161.13307	7.6
165.12778	7.9
169.01390	1.7
169.12222	7.2
171.11722	6.1
173.09567	1.7
175.11174	16.3
181.10121	3.1
189.12717	12.3
190.00642	1.1
193.12236	15.7
199.11185	15.2
207.13785	7.0
211.13269	13.6
217.12225	39.7
229.14366	7.1
235.13272	55.9
253.14326	100.0
254.14761	2.8
260.43033	1.4
268.08191	5.3
271.15393	27.8
289.07089	1.9
289.16431	39.2
290.16779	1.4
347.18570	1.5
356.70688	1.3
365.19528	4.6
382.04587	3.4
475.23212	1.2
530.39362	1.2
592.34998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05501	2.4
67.05502	7.8
69.03421	2.7
69.07053	3.7
69.13052	3.9
69.13470	3.4
78.47440	1.0
79.05481	5.9
81.03416	5.4
81.07047	7.0
83.04974	2.2
83.08625	1.3
85.02888	3.8
87.04437	1.2
89.06072	1.5
91.05460	9.8
93.07050	9.9
95.04974	4.3
95.08617	8.1
97.02878	3.5
97.06512	2.4
98.22720	2.8
103.05466	1.3
105.07017	14.7
107.04909	1.5
107.08578	9.0
109.06476	4.1
109.10143	3.9
111.03825	1.3
111.04450	10.0
111.08121	1.2
115.05465	1.9
117.07005	4.2
119.04969	1.4
119.08570	19.4
121.02851	1.3
121.06490	4.1
121.10162	8.8
123.08051	2.9
125.05908	2.6
127.03922	6.4
128.06244	1.6
129.06970	3.6
131.08559	9.9
133.06432	3.4
133.10118	10.5
134.07233	4.3
135.08043	2.6
135.11662	2.1
137.05942	1.6
137.09590	1.9
138.05441	2.0
139.07550	1.6
141.06963	3.0
142.07758	3.2
143.08533	10.0
144.09358	1.0
145.06502	1.3
145.10114	18.4
147.08029	4.5
147.11673	8.3
149.09612	4.4
151.07503	1.4
153.06848	1.6
155.08543	4.9
156.09297	3.4
157.10107	16.2
158.10886	1.1
159.08029	3.4
159.11682	11.5
161.09616	4.7
161.13290	2.1
163.07562	1.6
163.11136	1.6
165.07031	1.6
165.09167	1.5
167.08504	3.0
168.09279	2.4
169.10112	10.2
170.10835	5.4
171.11679	9.7
172.12471	2.6
173.09615	4.7
173.13242	8.3
175.06119	1.3
175.07530	1.8
175.11133	2.7
175.14819	1.6
179.08492	2.7
181.10066	5.0
182.10925	2.4
183.11674	19.3
185.09587	2.6
185.13298	7.9
187.07564	1.4
187.11209	4.1
187.14792	12.8
188.11971	1.7
188.15517	1.3
189.09030	2.3
192.09329	2.5
193.10141	6.6
194.10915	3.3
195.11702	6.8
196.12440	3.6
197.09564	2.6
197.13249	15.9
198.06337	1.2
198.14038	10.5
199.11195	2.4
199.14757	3.1
201.09119	3.8
201.12744	4.6
203.10596	1.1
203.14270	7.6
205.15834	2.3
206.10847	2.7
207.11703	8.7
208.12537	1.9
209.13202	8.1
210.13942	1.9
211.11179	3.8
211.14801	8.2
213.09068	2.7
213.12624	1.8
215.10753	2.5
215.14287	6.5
216.15007	3.1
219.11668	2.7
220.12448	3.8
221.13297	5.1
222.13956	1.7
223.14781	3.7
225.09061	1.4
225.12717	3.1
225.16341	5.2
229.12126	2.2
229.15852	1.5
231.10168	4.0
234.13977	4.6
235.11215	2.4
235.14778	6.4
236.15376	1.9
237.12604	1.2
237.16559	1.7
239.10571	2.2
239.14197	1.7
239.17931	4.3
242.58151	1.1
247.11276	1.6
249.16315	11.8
251.17978	4.0
253.12180	4.2
253.15871	3.2
255.13878	2.2
262.13541	1.5
265.12247	1.3
267.13882	2.7
267.17435	10.9
269.15448	1.9
269.18747	1.6
271.16925	7.1
277.15820	5.7
280.14459	1.7
285.15604	1.4
285.18381	8.1
295.16904	56.3
296.16980	1.8
311.10397	1.4
312.10562	1.8
313.17941	100.0
314.18362	4.2
331.19037	16.9
343.12952	1.7
344.13214	1.6
355.18948	15.1
373.20114	13.1
391.20914	5.7
451.23151	2.8
598.23151	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	630.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96667	1.1
55.05515	3.1
57.07075	30.4
58.82076	1.1
60.83283	1.1
60.83587	1.1
69.07078	2.4
69.46342	2.6
69.46740	3.4
69.56224	1.0
70.06554	1.3
71.08626	24.9
73.06555	8.9
75.59467	1.2
83.08620	1.2
85.10184	18.6
87.04466	9.1
87.15723	1.3
89.06027	100.0
97.10159	3.2
99.11736	3.5
105.07023	3.5
107.07039	2.8
113.13290	1.7
117.09146	6.8
117.09856	1.2
130.08699	1.4
131.04953	1.7
131.07037	3.4
133.08594	52.6
135.10147	1.3
146.84193	1.2
155.17966	4.6
163.63747	1.2
175.09659	2.0
177.11195	20.3
199.20575	2.9
217.02449	4.4
221.13857	3.4
221.98267	1.3
243.23131	8.8
256.03604	5.8
283.17673	1.4
287.25757	5.3
360.09610	5.0
459.28369	2.6
498.09222	3.0
567.50641	1.5
602.15466	4.2
613.45355	3.8
630.14990	4.7
630.47650	3.8
631.15063	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	631.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99785	0.4
69.20869	1.5
78.32779	0.3
81.04515	1.1
93.04470	0.4
95.02445	1.0
105.04501	0.5
113.03432	0.7
118.26452	0.3
120.05577	0.7
132.05545	0.9
138.01855	0.5
144.05536	1.0
145.03979	0.5
145.12102	0.3
157.04012	0.6
158.03438	1.2
160.05014	2.5
161.03474	0.5
166.01263	0.5
172.05058	3.2
173.03479	0.8
173.05814	0.3
184.05060	2.1
186.02953	1.0
188.04555	0.5
200.04538	5.3
201.02953	1.3
201.05125	0.5
212.04529	9.2
214.02423	1.4
225.05389	0.6
228.04051	2.2
229.02412	0.5
230.05649	0.6
232.03493	0.9
246.05040	0.6
256.03506	100.0
257.03909	3.3
258.05057	1.2
274.04559	7.1
294.50610	0.3
304.58746	0.3
318.08572	0.5
360.09750	60.7
361.10190	4.2
362.11237	1.9
542.26306	0.3
601.14056	0.3
631.17480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
53.25771	0.3
54.10764	0.4
55.01870	2.1
57.03416	1.2
57.06240	0.4
61.02908	1.3
61.24261	0.4
66.04722	0.5
67.05476	0.5
68.99772	1.4
69.03424	9.5
69.09816	2.6
71.01327	0.6
71.04987	0.7
73.02915	1.5
79.05510	2.1
81.03414	8.9
81.07040	0.8
85.02903	14.1
85.43448	0.4
87.00828	6.1
89.06023	0.9
91.05488	2.1
94.04187	2.8
95.04971	0.8
97.02889	4.3
99.04414	2.3
103.03952	0.5
103.05480	3.0
105.01871	3.4
105.07025	8.3
107.04935	0.8
109.02171	0.7
109.02878	8.5
109.06500	1.3
115.05450	3.9
117.01839	1.3
122.03638	5.5
122.06030	0.6
123.04446	0.6
127.03034	0.8
127.03906	9.9
128.06209	1.8
129.01837	1.1
129.07091	0.4
130.04124	0.6
131.04904	1.6
132.05705	0.4
133.06479	6.9
137.05968	60.2
138.06264	0.8
139.05434	0.9
140.07033	0.8
141.05402	0.4
141.06961	1.6
143.04877	0.5
143.06012	0.9
145.04976	2.5
145.06509	0.8
146.03603	5.5
147.02893	0.9
147.04352	1.0
147.07993	0.6
149.05966	1.9
151.03911	7.2
151.05022	0.7
151.07484	0.5
156.05672	0.9
157.06456	0.8
159.02878	4.0
159.08012	0.8
159.43652	0.4
160.05298	0.4
161.05968	57.1
162.06270	0.9
163.07487	1.2
165.06993	0.5
167.04924	1.0
169.04958	0.5
169.06435	0.5
170.07268	0.4
171.08017	1.3
172.03931	0.7
175.07565	1.2
177.05493	1.2
181.06451	0.8
184.05205	3.5
185.05995	1.0
187.07524	0.7
189.07051	1.1
190.07777	0.8
191.08508	2.3
192.09265	1.4
199.07533	14.0
200.07957	0.7
202.07751	10.6
203.08542	21.9
204.06567	0.6
204.09262	2.0
205.06442	1.8
205.10146	0.9
213.03871	0.5
213.07013	0.7
215.08553	1.5
217.08421	0.4
217.10231	0.5
218.07350	1.0
219.08031	7.5
220.08826	8.5
221.05891	0.5
221.09511	1.1
223.77098	0.4
230.07263	2.6
231.05251	1.1
231.08031	35.5
232.08788	9.7
233.05800	0.8
233.09581	0.9
234.06705	0.8
234.10417	0.5
235.11124	2.0
237.09137	1.0
241.06393	0.7
242.07295	0.5
243.07980	1.3
245.09697	2.1
247.07529	6.1
248.08313	21.7
249.08916	2.6
258.06735	2.9
259.07535	30.7
260.08286	16.5
261.05661	0.7
261.08954	3.2
262.09903	2.4
263.10660	15.7
264.11060	1.0
265.08429	2.6
269.12686	0.5
273.09027	2.0
273.54858	0.4
274.09824	0.5
275.07004	4.4
275.10437	1.0
276.07797	16.8
277.08502	4.8
279.10083	0.4
280.11011	1.3
287.13788	0.6
289.08643	0.8
290.09262	1.3
291.10135	100.0
292.10699	7.3
293.08075	4.7
293.11224	0.7
295.10159	0.5
295.13190	2.3
303.10162	0.7
305.11649	0.7
306.12399	0.5
307.09610	1.7
307.12946	0.5
308.10358	6.3
313.11856	0.7
315.10007	0.7
321.11142	1.4
323.12750	92.0
324.13010	3.8
333.11130	1.7
335.12891	2.0
337.14362	0.5
345.14325	0.5
347.12820	1.0
365.13782	2.2
385.14267	0.6
399.15903	0.7
400.16672	1.0
431.14951	0.8
458.17020	1.2
459.17627	0.5
535.16144	0.5
553.17029	0.8
599.25500	2.5
631.31866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26791	1.1
69.27201	0.9
73.02932	0.4
73.97614	0.4
85.02911	0.6
149.05138	0.4
151.03926	2.1
151.07535	0.9
155.03181	0.6
169.04808	0.6
233.06535	0.4
301.08859	3.3
315.71518	0.4
338.08304	0.5
353.12012	6.1
371.11960	0.8
439.14651	0.5
499.17941	5.4
631.22058	100.0
632.22412	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	631.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
67.05495	2.2
68.05036	0.9
69.07060	5.7
70.04090	1.2
79.05491	1.1
80.05016	0.8
81.03421	1.1
81.07035	0.7
85.02899	1.5
87.04486	1.6
89.06027	1.9
91.05508	0.7
93.07028	0.7
94.06550	6.2
95.04959	1.5
97.02880	1.0
105.03395	1.1
108.08121	1.8
109.02901	0.9
109.10197	1.3
110.06015	0.9
112.07585	1.6
116.05016	1.1
117.05795	0.7
118.06555	1.1
119.04963	0.9
120.04465	0.8
121.02872	2.0
122.06023	19.6
124.07599	0.9
129.72913	0.5
130.04990	1.1
132.44020	0.6
134.06039	2.4
138.05505	1.6
140.07051	33.6
144.04491	3.8
144.08083	0.7
145.05032	0.8
146.06000	13.3
147.04434	2.3
147.06642	0.6
148.07582	2.8
150.28856	0.6
151.03972	3.1
152.07115	1.4
162.05562	2.1
163.06204	1.0
172.03934	18.0
172.07565	1.1
173.04732	1.3
174.05498	14.8
176.07062	6.9
190.05008	4.0
191.05772	2.0
192.06593	1.8
197.10764	2.0
198.03416	0.7
198.09236	1.1
199.08653	1.4
199.12347	2.3
204.06554	29.8
206.08124	10.2
206.37480	0.8
210.09296	1.0
211.08691	2.7
211.12239	0.9
212.09383	1.2
213.10306	1.9
216.10120	1.0
223.08696	0.8
223.12442	1.0
224.09439	1.6
225.10231	6.5
226.10960	0.9
227.11748	13.3
235.08746	0.7
236.09650	1.1
237.10185	4.0
238.11005	2.0
239.11766	3.6
241.09775	1.5
241.13449	0.8
249.10190	2.0
250.10954	0.8
251.08226	1.2
251.11752	2.0
253.09764	2.8
255.07304	0.9
255.11403	1.4
261.12384	1.3
263.11746	5.2
264.08801	1.3
265.09772	2.5
266.10382	1.2
267.11295	2.7
269.12885	9.6
271.10785	5.4
277.09772	2.5
278.10635	0.7
279.11020	3.3
280.08948	0.7
280.12125	0.8
281.09064	1.2
283.10739	10.2
284.11447	4.8
285.12329	6.5
286.04742	0.6
287.13867	25.3
287.16849	1.3
288.14453	1.1
291.11267	2.5
292.12021	0.8
295.10852	1.9
297.12256	3.6
298.13107	0.8
300.11945	2.0
301.12125	3.4
301.15457	1.0
302.12759	1.0
303.14014	0.7
308.15207	1.0
309.12286	2.1
311.10245	0.9
311.13861	0.8
312.15005	1.0
313.11777	30.4
314.12939	2.7
315.13693	2.3
316.14450	5.9
317.15103	1.3
323.10260	1.9
323.13947	3.5
324.11169	1.0
326.16849	1.2
327.14017	0.9
327.17548	1.2
328.11002	1.0
328.14554	2.8
329.11609	2.6
329.15335	2.9
330.12253	2.8
330.15738	6.9
331.12943	9.6
331.16846	7.5
332.17355	1.3
336.11057	1.5
337.11835	1.8
339.13126	0.8
340.14636	1.6
342.12524	6.3
342.15747	1.1
343.13055	5.0
344.14023	1.2
344.17654	6.4
345.14429	15.1
354.16125	1.0
355.13669	1.5
356.13928	5.8
356.17532	0.8
357.14743	3.6
358.15457	9.0
359.15924	0.8
365.11340	1.0
367.13135	2.4
368.13663	2.9
369.10611	0.9
369.14536	3.8
370.11676	1.5
370.15610	3.3
371.16556	1.6
372.17188	4.9
374.18729	1.1
380.13858	1.3
382.11288	3.3
382.16049	1.2
383.12134	4.3
384.13358	10.1
385.13913	4.0
386.14639	5.0
386.18872	1.8
388.16800	1.6
390.18176	5.3
394.15289	0.7
398.14917	16.5
399.15775	23.9
400.16547	31.5
401.17398	1.7
402.14505	2.7
403.19370	0.7
412.16739	1.8
414.18100	5.6
415.18790	2.0
416.16013	2.8
417.16861	7.2
418.17462	8.8
430.17691	2.3
431.18405	2.8
440.16382	3.2
441.16946	1.3
442.17453	0.8
444.15671	0.9
448.18729	0.8
458.17139	32.8
459.17822	17.9
459.23898	1.4
460.18539	5.3
469.20999	0.8
476.17725	1.1
478.19958	1.5
488.49341	0.8
490.19800	5.8
491.20148	3.9
508.20828	6.2
510.22519	2.2
555.26099	1.4
557.24103	3.3
581.23792	5.8
599.24957	100.0
600.25165	7.0
631.26678	5.0
632.30420	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93501	0.7
63.99892	0.8
67.05472	1.8
69.07057	3.9
82.75609	0.7
94.06577	6.1
95.04942	1.9
97.02892	0.9
105.03417	2.0
108.08131	1.7
112.07629	0.9
116.04942	0.9
118.06582	0.8
120.08083	1.1
121.05279	1.0
121.82127	0.8
122.06023	20.2
122.06847	1.4
123.04482	1.1
124.07607	1.0
134.06044	1.7
136.07608	1.3
138.05498	1.7
140.07056	27.2
144.04445	2.9
145.05185	1.1
146.06007	11.5
147.04393	1.3
147.06804	0.9
148.07596	2.3
151.03923	2.3
162.05518	2.3
163.06294	0.8
166.08664	2.5
172.03923	14.7
172.07607	1.1
173.04678	2.1
174.05499	14.9
175.89799	0.8
176.07045	8.7
182.09641	1.9
183.09129	0.8
186.08972	0.9
190.05013	2.7
191.05809	1.6
192.06496	1.6
197.10661	1.4
199.08701	1.3
199.12315	1.9
200.09547	0.8
204.06546	28.8
205.06998	1.0
206.08098	10.0
210.09218	1.2
211.08684	2.1
213.10272	1.7
216.10124	0.9
223.08775	0.9
223.12334	1.0
224.09338	1.6
225.10234	5.6
226.10812	1.0
227.11772	11.6
237.10272	3.3
239.11798	3.7
241.09749	1.1
248.09192	0.8
249.10315	2.4
250.11063	0.8
251.11760	3.3
253.09711	2.4
255.07567	0.9
255.11250	1.7
258.43649	1.0
261.12357	1.2
263.08170	1.6
263.11798	6.8
265.09653	3.0
265.13309	1.2
267.11331	2.1
269.09839	1.4
269.12814	11.7
271.10699	4.9
277.09665	2.3
279.11133	4.2
281.09229	1.0
283.10760	9.4
284.11362	4.8
285.12360	5.6
287.13907	27.1
291.11099	2.7
295.10730	2.7
297.12311	2.5
301.12085	3.3
302.12796	1.3
309.12378	3.6
310.13358	1.1
312.15073	1.2
313.11774	30.9
314.12668	3.0
315.13739	2.9
316.14499	6.9
323.10504	1.8
323.13867	4.0
324.14716	0.9
326.16415	1.2
328.10852	1.2
328.14468	3.5
329.11566	3.7
329.15350	2.7
330.12289	2.4
330.15997	6.7
331.12857	9.0
331.16748	6.8
332.17371	1.6
336.10895	2.6
337.11743	2.5
338.12503	1.7
342.12253	5.5
342.16022	0.9
343.12970	6.9
344.13812	2.3
344.17548	5.7
345.14450	14.6
346.15121	1.2
352.14548	1.0
354.16150	1.6
355.13696	1.8
356.13904	5.5
357.14590	2.1
358.15506	9.6
363.15683	1.2
367.12900	3.6
368.13763	3.2
369.14633	5.8
370.11404	1.6
370.15573	4.9
371.16660	1.1
372.17145	4.4
380.13748	1.4
382.11804	3.0
383.12723	2.2
384.13339	12.0
385.14023	4.4
386.14566	4.7
386.18781	2.2
388.16498	1.1
389.17203	1.5
390.18155	5.4
398.14841	12.3
399.15756	23.2
400.16501	34.8
401.16547	1.4
402.14410	1.9
403.19089	1.3
412.16437	1.5
414.18344	5.2
415.18884	1.3
416.15955	3.1
417.16876	6.4
418.17548	7.8
430.17804	4.1
431.18417	2.3
440.15741	4.5
441.16812	1.4
444.15375	2.4
446.17822	1.1
448.18649	2.6
458.17087	29.1
459.17834	18.2
460.18433	5.4
476.17908	2.9
478.19476	2.3
483.37421	1.0
490.19601	5.2
491.20337	3.5
508.20837	15.4
509.21542	2.1
510.22397	4.1
511.22995	1.2
555.25665	1.4
557.23779	3.3
581.23993	6.6
599.24982	100.0
600.25275	5.9
631.27612	5.7
632.30493	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	631.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24073	0.8
52.66359	0.9
56.38183	0.8
65.03976	1.0
67.05490	1.4
69.07054	5.1
69.22167	2.6
69.22597	2.8
75.25266	1.0
80.04990	0.9
85.68549	0.8
87.04446	4.1
89.06026	2.4
93.05751	0.8
94.06555	7.2
95.04960	1.6
98.22687	2.0
108.08087	2.1
110.06017	3.3
112.07635	1.1
116.04969	1.4
118.06537	1.1
120.04440	1.7
120.08067	1.0
121.02896	0.9
122.06025	20.4
130.93889	1.0
133.08638	1.5
134.06010	1.5
138.05490	21.5
140.07054	32.9
144.04446	3.8
145.05235	1.1
146.05997	12.3
147.06783	1.2
148.07594	1.5
148.97452	0.9
151.03879	1.1
152.15007	0.9
162.05484	3.2
172.03928	17.6
172.07315	1.0
173.04630	1.3
174.05473	13.9
176.07053	7.1
182.09634	1.3
190.05016	3.0
190.85876	0.9
192.06606	1.7
199.12303	2.2
204.06546	26.5
206.08119	12.0
207.50504	1.0
209.10660	1.0
211.08604	1.9
212.09479	2.0
221.10736	1.1
223.08652	1.1
223.12311	1.1
224.09296	2.0
225.10146	6.3
227.11794	12.5
237.10220	3.5
238.10924	1.8
239.11794	5.8
241.13312	1.3
249.10150	1.3
251.11804	2.6
253.09691	2.5
255.11366	1.1
261.12366	1.5
264.08972	1.0
265.09552	4.1
267.11279	2.3
269.12848	9.5
271.10687	4.7
277.09711	1.9
279.11151	2.0
283.10718	9.3
284.11490	5.8
285.12280	6.3
286.04617	1.0
287.13870	29.4
295.10757	1.5
297.12326	2.8
301.12140	3.7
312.11475	1.0
312.15002	1.2
313.11792	30.1
313.15494	1.4
314.12793	3.0
315.13568	2.8
316.14435	7.8
317.15158	1.1
323.10220	1.4
326.16461	1.5
327.13843	1.7
327.17456	1.2
328.14404	3.1
328.38757	1.1
329.11569	2.7
329.15234	3.3
330.12149	3.3
330.15958	6.9
331.12836	9.1
331.16797	7.9
332.17514	1.3
342.12201	6.2
342.15985	1.2
343.13074	4.2
344.14063	1.5
344.17490	5.8
345.14459	17.8
355.13367	1.7
356.13815	5.3
357.14612	4.2
358.15463	8.4
369.10797	1.1
370.11435	2.2
370.15350	3.3
371.16397	1.3
372.17139	5.6
374.18558	1.5
382.11819	4.1
382.16043	1.5
383.12494	3.4
384.13416	14.8
384.17847	1.8
385.13931	4.1
386.14374	5.2
386.18744	3.5
388.16479	2.0
390.17966	6.0
398.14990	16.5
399.15714	21.5
400.16498	34.5
401.17169	1.2
402.14243	2.5
412.16394	2.2
414.18219	5.5
415.19080	1.2
416.15866	2.5
417.16708	6.5
418.17618	8.8
430.17502	2.3
431.18094	2.3
440.15906	4.1
444.15338	2.2
458.17102	33.1
459.17825	19.0
460.18472	4.9
490.19922	6.0
491.20193	3.8
555.26074	1.3
557.23773	3.5
581.23724	7.4
590.19495	1.0
599.24976	100.0
600.25305	6.5
631.27148	2.6
632.28101	4.6
651.60760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11180	0.8
67.05501	4.9
69.07071	1.3
72.16080	0.8
81.03411	0.9
82.06583	0.9
94.06556	3.3
95.04957	3.2
106.06564	4.3
107.04932	0.9
108.08110	5.4
112.07633	1.2
118.06504	0.9
119.07321	0.9
120.08109	5.6
121.02833	1.0
121.08889	9.6
121.10153	0.9
122.06033	7.7
124.07565	3.9
126.91483	0.8
131.10655	1.0
134.06003	1.9
136.07579	6.8
138.05493	15.0
140.07063	11.3
146.06017	6.4
147.06787	1.8
148.07585	6.0
150.09143	1.7
152.07056	10.1
160.03894	1.3
160.07532	1.3
160.09940	0.8
162.05505	1.1
164.07066	2.9
165.07851	3.1
166.08632	16.2
169.25133	0.9
170.23224	0.8
172.03961	4.4
172.07549	1.0
174.05490	5.2
174.09145	2.2
176.07069	4.0
181.04936	4.3
190.04936	4.3
190.08614	4.0
197.10675	1.8
199.08638	1.7
204.06537	12.1
206.08119	3.6
211.08586	1.9
211.12347	3.5
212.09274	1.0
213.10251	2.7
218.08131	1.0
224.09293	1.4
224.12915	1.2
225.10255	4.2
225.13872	1.5
226.10973	1.4
227.08257	2.0
227.11784	7.2
228.75920	1.1
231.11459	1.0
235.12389	1.2
236.09209	1.1
237.10143	6.5
238.10870	1.7
239.09370	5.3
239.11824	4.2
240.10185	1.3
241.09700	2.9
243.11295	1.6
248.09351	1.2
249.10210	2.7
250.07484	1.0
250.10802	2.2
251.08125	1.6
251.11725	5.3
252.08931	1.5
253.09732	4.0
255.11327	2.3
256.12103	1.1
257.12827	1.2
259.10748	8.6
263.08850	1.1
263.11768	8.6
264.08655	1.3
265.09711	10.2
265.13205	1.4
266.08066	2.7
266.10483	3.3
267.08145	1.3
267.11255	4.8
269.09439	1.9
269.12823	4.1
271.10767	3.1
271.14365	5.0
277.09735	1.6
278.10596	1.1
279.11221	8.5
280.12018	1.8
281.09204	1.7
282.11136	3.0
283.10736	12.4
284.11472	3.8
285.12280	9.4
287.13882	17.3
289.15610	4.9
291.11288	3.1
293.09229	1.8
295.10812	4.9
297.12308	4.6
298.13351	1.3
300.11728	1.0
301.12158	2.0
302.12848	1.9
303.13638	1.7
304.14557	1.3
309.12320	4.7
310.12930	1.6
311.10239	23.9
311.13614	1.3
312.10788	1.1
313.11789	25.1
314.12781	4.0
315.13675	3.5
316.11166	1.1
316.14377	5.7
317.11758	1.8
317.15158	1.8
318.15833	1.3
323.13873	2.7
325.11758	3.8
327.13467	2.4
328.14490	2.4
329.11423	5.4
329.15103	2.0
330.12280	7.1
330.15979	4.5
331.12994	6.1
331.16769	3.0
332.13770	2.7
332.17511	2.2
336.11105	4.1
337.11755	3.5
338.12634	1.7
339.13480	5.1
340.14551	1.4
342.12350	4.6
342.16226	1.9
343.12988	20.1
344.13837	7.9
344.17633	2.2
345.14496	12.9
346.15329	3.8
347.16315	1.6
348.16974	3.6
349.17813	8.5
350.18399	1.4
355.13147	1.5
356.13913	3.7
357.15067	3.4
358.15503	9.6
359.16385	1.6
360.13278	1.4
360.17105	1.9
361.18011	1.1
362.14651	2.0
362.15637	1.4
362.18970	4.9
363.15674	1.3
364.20346	5.2
365.11069	1.0
367.12997	6.0
368.14035	4.5
369.14389	6.0
370.15604	5.7
371.12714	2.8
372.12958	7.7
372.17075	3.4
373.14395	1.6
374.14951	2.5
374.19028	1.6
375.15692	1.7
376.16470	7.4
377.17294	2.3
382.15680	1.7
384.13217	6.4
385.14185	3.3
386.14847	3.9
386.19028	1.8
387.15662	1.9
388.16699	7.9
389.13861	1.1
389.17517	8.9
390.13849	6.3
390.18774	5.8
398.15009	6.2
399.15836	7.8
400.16504	14.6
401.17444	2.1
402.14343	3.2
402.18683	1.5
403.14722	2.2
403.18893	4.0
404.15427	7.0
405.16571	1.1
406.17673	2.2
407.18283	3.9
408.19016	3.2
412.16818	1.8
414.18118	2.5
416.15875	4.7
417.16818	7.8
418.17581	30.8
419.17889	1.9
420.19354	1.5
422.16968	2.7
430.17761	4.8
432.19025	2.8
433.15793	1.9
434.16748	1.9
435.17868	28.9
435.23862	1.4
435.88123	1.2
436.18613	30.1
437.18906	2.2
440.15958	2.0
448.18698	36.7
448.24985	1.8
449.19080	3.8
458.17139	14.6
459.17715	9.7
460.18729	8.2
462.16446	15.0
463.17239	7.0
464.18173	5.2
476.18149	100.0
477.18787	21.9
478.19574	10.9
490.19577	1.7
508.20776	34.7
509.21542	11.0
510.22195	4.3
557.23773	3.3
563.22620	1.3
581.23865	16.7
582.23828	1.6
599.24982	91.1
600.25165	8.1
631.18610	2.0
631.28265	6.4
641.39667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47916	0.1
53.03951	0.2
65.03927	0.5
67.05477	0.4
73.02892	0.2
78.03431	0.3
80.05012	0.2
81.03399	0.3
83.53470	0.2
87.04462	2.2
89.06030	1.1
91.05468	0.2
92.04996	1.1
93.05774	0.4
94.06561	5.0
95.04962	0.4
96.04469	0.8
99.03288	0.1
105.03374	1.5
105.04517	0.1
105.07040	0.3
106.02883	0.1
110.06037	3.7
124.03963	0.2
127.01556	0.5
133.08612	0.6
133.10040	0.2
138.05492	100.0
139.05861	1.4
147.04358	0.2
151.03880	1.2
152.04205	0.3
153.03078	0.7
154.05014	0.2
163.03961	0.1
165.07126	0.3
173.13237	0.1
177.11197	0.4
187.14813	0.2
198.09216	0.2
242.08061	0.8
242.10248	0.1
272.04178	0.1
427.28552	0.1
440.62912	0.1
448.19278	0.2
487.27716	0.1
494.30167	0.2
509.21155	0.3
550.71509	0.2
632.28485	16.6
633.14111	0.2
633.28857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.03921	0.2
59.04981	0.2
61.38131	0.2
65.03922	0.3
67.05488	0.4
70.04066	0.2
73.02900	0.2
79.05490	0.2
81.07032	0.3
87.04456	0.5
89.06001	0.6
91.05443	0.3
92.05009	0.8
93.05768	0.4
93.07014	0.3
94.06557	4.8
95.04948	0.7
95.08578	0.2
96.04469	0.6
103.53612	0.1
105.03383	3.0
105.04477	0.3
105.07021	0.5
110.06037	3.6
119.62575	0.2
124.03933	0.9
133.08530	0.3
133.10141	0.2
136.06113	0.2
138.05487	100.0
139.05820	1.7
145.10104	0.3
146.02065	0.2
157.10184	0.2
188.03580	0.2
198.09137	0.7
222.91000	0.2
242.08081	1.8
331.00629	0.2
385.19867	0.3
386.19952	0.4
509.23361	0.4
632.28259	22.3
633.28485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.5
67.05498	9.8
69.03435	10.8
69.07076	8.2
69.22482	20.4
69.91037	3.8
76.58744	3.1
78.06850	3.1
79.05493	7.6
81.07062	13.8
83.04968	4.3
83.08616	3.6
83.47086	3.2
85.02917	13.7
87.00842	10.1
91.05489	11.6
93.07050	9.3
95.04953	5.5
95.08607	24.2
95.92980	3.8
97.02890	11.9
101.92506	3.4
105.01867	11.1
105.07041	23.8
107.08612	13.6
109.02893	5.6
109.06513	4.0
109.10188	8.9
111.04422	3.8
115.05502	3.9
117.07043	6.5
119.08579	88.5
121.10117	4.4
123.08051	4.4
123.11726	7.7
127.03908	9.2
131.08572	8.1
133.10133	37.5
135.08046	6.6
142.07826	3.8
143.08571	4.8
145.04935	3.6
145.10106	17.1
147.11703	5.9
157.10147	10.2
159.08020	4.0
159.11699	21.8
161.13417	4.7
169.10086	16.5
171.11734	10.5
173.13254	8.6
183.11731	8.2
185.13278	12.2
187.14842	6.8
189.12900	3.7
197.13234	11.1
201.09067	5.3
201.16362	16.6
209.13263	5.3
211.11218	13.2
213.09045	4.9
215.10800	3.6
225.16412	13.1
229.12204	3.9
239.17934	12.0
249.16356	6.6
253.12306	4.3
257.19000	4.2
267.17429	20.1
269.15286	4.1
275.12802	6.5
285.18491	40.3
287.16391	4.2
295.17026	28.8
313.17996	69.1
331.19019	100.0
349.20166	24.1
408.98935	3.9
467.78473	4.1
543.22522	3.8
585.65765	3.7
633.20941	4.1
661.99835	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	632.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37377	0.3
55.05504	0.4
57.07074	4.0
69.07067	0.5
71.08629	6.6
77.09967	0.2
79.05518	0.2
85.10178	3.3
87.04461	100.0
88.04807	0.7
89.06010	2.5
91.05478	2.2
93.07057	1.2
95.04941	0.4
105.07023	5.0
106.07355	0.4
107.04967	0.6
107.08605	0.4
117.01819	0.3
117.07035	0.4
118.07814	0.5
119.04948	0.5
119.08628	0.7
121.06499	4.1
121.10107	0.3
131.07037	2.1
131.08557	0.3
133.08635	1.1
135.08083	1.2
145.10097	0.4
147.08076	1.8
149.09666	0.4
163.11192	0.8
165.09148	1.4
167.10641	0.3
175.09703	0.7
177.11223	0.3
191.10814	0.5
193.12227	0.3
209.11765	0.8
211.49539	0.2
219.12262	2.5
247.20551	2.9
253.14302	0.3
273.22192	0.5
289.40167	0.3
291.23148	4.6
307.51181	0.2
335.25827	0.7
632.43549	6.1
633.43591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
51.02371	0.7
53.03920	0.2
67.05503	0.4
69.03450	0.2
69.07055	0.2
71.42609	0.2
78.03449	9.6
79.04215	0.2
79.05472	0.3
80.05011	6.1
81.07071	0.2
86.24738	0.1
89.06084	0.2
91.05470	1.1
93.07037	0.4
95.04958	0.4
95.08579	0.3
96.04485	6.5
97.02847	0.2
97.06522	0.2
105.03362	0.2
105.07010	1.2
106.02908	27.9
106.70702	0.2
107.03220	0.3
107.04967	0.2
107.08572	0.4
109.06510	0.5
116.06239	0.2
117.07007	0.4
119.06059	0.3
119.08572	2.8
121.06515	0.3
121.10133	0.2
123.08054	0.2
124.03944	100.0
125.02335	0.3
125.04259	0.8
128.06238	0.3
129.06985	0.4
130.07837	0.2
131.08545	1.5
133.06456	0.2
133.10120	0.6
135.08055	0.6
138.05504	1.0
140.03368	0.3
141.06999	0.5
142.07791	0.8
143.03380	0.4
143.08553	1.2
144.09325	0.3
145.06442	0.2
145.10120	1.0
145.11057	0.2
151.03828	0.2
155.08510	1.1
156.09334	1.5
157.06502	0.2
157.10132	2.6
157.99176	0.2
158.10901	0.2
159.07997	0.3
159.11699	0.9
165.07011	0.4
166.04979	0.3
166.07782	0.4
167.08556	0.4
168.09424	0.2
168.93231	0.2
169.10136	1.3
170.10887	4.8
171.08041	0.3
171.11676	3.8
172.08890	0.2
172.12378	0.5
173.09648	0.7
173.13275	1.0
179.08553	0.6
180.09251	0.4
181.10109	1.4
182.10855	0.3
183.08006	0.2
183.11699	0.7
184.12486	0.5
185.09718	0.4
185.13248	6.7
186.10359	0.3
187.11182	0.6
191.08481	0.2
192.09288	0.4
193.10124	0.9
194.10764	0.4
195.11693	0.8
196.12483	1.5
196.72754	0.2
197.09645	0.2
197.13223	1.1
199.11194	1.3
201.12718	0.3
205.10103	0.3
206.10899	0.8
207.11732	0.8
208.12473	0.4
209.09703	0.2
209.13242	0.9
211.11133	0.2
211.14815	0.4
213.12724	0.4
214.13507	1.8
215.14253	0.6
217.10094	0.3
217.48737	0.2
220.12459	0.4
220.85764	0.2
221.09622	0.3
221.13232	0.9
222.14014	0.3
223.11263	0.3
223.14787	0.6
227.08514	0.2
227.14323	0.8
229.06018	1.0
232.12303	0.3
235.11032	0.2
235.14676	0.7
237.16345	0.3
239.14259	1.2
247.14857	0.3
248.12135	0.2
249.12656	0.5
250.13535	0.2
253.15846	0.3
254.11740	0.6
263.14243	1.0
265.12024	0.2
265.15701	0.3
267.13766	0.7
269.11707	0.2
271.13339	0.4
281.15320	0.6
285.14810	2.2
291.13846	0.4
292.13419	0.3
308.16382	0.3
309.14813	2.2
327.15860	3.5
369.16977	0.8
386.86093	0.2
432.12711	0.1
432.17963	1.1
450.19260	1.0
462.76422	0.2
492.20212	0.3
510.20950	0.2
546.05206	0.2
555.21393	0.3
573.22437	1.8
615.23157	0.9
633.24316	4.3
633.34869	0.3
634.23676	0.2
644.43994	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	633.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28137	0.1
53.03934	0.1
58.42931	0.1
63.46397	0.1
64.23850	0.1
65.03922	0.4
65.04221	0.1
67.01594	0.1
67.05482	0.3
69.09753	0.7
78.03451	0.5
79.04235	0.1
80.09629	0.1
87.04472	1.7
91.28525	0.1
92.04994	1.3
93.05777	0.4
94.06567	4.7
96.04512	0.8
104.27830	0.1
106.02911	0.8
110.06042	3.4
124.03956	0.2
127.01574	0.2
138.05495	100.0
139.01517	0.2
139.05826	1.5
145.10135	0.2
153.03108	0.3
154.04967	0.1
160.82796	0.1
182.12238	0.1
187.09599	0.1
196.99248	0.1
222.07265	0.1
243.07756	0.6
330.58496	0.1
332.24445	0.1
338.74741	0.1
339.49960	0.1
431.47363	0.1
633.27960	13.6
634.28430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27700	0.1
53.03935	0.2
65.03934	0.5
67.05491	0.3
70.50041	0.3
72.12637	0.1
73.81094	0.1
78.03444	0.9
92.05011	1.2
93.05788	0.3
93.07039	0.2
94.06571	4.6
96.04478	0.8
100.75027	0.1
106.02915	1.6
110.06034	3.4
121.06476	0.1
124.03935	0.2
138.05499	100.0
139.05841	1.8
154.04967	0.2
199.08655	0.3
243.07668	1.8
267.07346	0.1
509.31363	0.1
573.26068	0.4
625.00397	0.1
633.28058	20.1
634.28534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04842	1.1
65.03939	1.2
67.05495	1.6
69.03437	2.9
69.07069	3.5
69.28639	6.0
73.02894	1.3
81.03448	1.1
81.07036	1.2
85.02888	3.5
87.04456	5.6
89.06020	2.8
91.05459	2.3
94.06572	5.0
95.04973	2.0
97.02901	2.0
106.06556	2.2
108.08121	1.9
119.08571	1.4
120.08130	2.0
121.02843	1.9
122.06012	12.2
124.03915	1.8
127.01519	2.9
127.03928	1.1
131.08517	1.2
133.08727	1.4
134.05980	1.8
136.07568	16.0
138.05493	40.4
140.07079	14.9
145.05031	1.8
146.06012	10.3
146.95514	1.2
147.04428	4.1
148.07564	8.7
150.09181	1.6
151.67775	1.2
152.07066	3.8
153.03098	2.7
160.07704	1.5
163.03931	2.3
164.07071	15.7
165.47519	1.2
166.08653	8.5
172.03932	5.4
174.05571	5.6
176.07043	18.9
177.89922	1.2
190.05031	4.8
192.06450	1.4
201.02141	1.5
204.06592	5.9
206.08083	2.7
208.09628	1.7
210.11479	1.6
211.12357	1.7
218.08083	2.2
221.10716	2.2
223.12373	2.9
224.09480	2.5
224.13084	1.3
225.10146	3.5
227.11900	1.5
229.13527	1.6
235.08635	1.5
235.12396	2.6
236.13089	2.6
237.10136	10.2
237.13881	2.9
238.10989	15.4
239.11771	13.8
246.07600	1.8
248.09348	2.5
249.10184	6.7
250.10918	3.0
251.11766	13.3
251.13960	1.7
252.12534	2.9
253.13306	3.3
255.11424	1.5
261.12454	3.2
263.11816	18.3
264.08771	2.2
264.12521	3.6
265.07236	1.6
265.09805	4.5
265.13358	28.2
266.10577	3.1
266.13977	2.5
267.11295	4.4
269.12848	2.9
271.14346	6.9
277.09775	6.3
277.12982	2.1
278.10672	4.0
279.11273	100.0
280.11880	10.0
281.12845	4.8
283.10773	3.2
283.14154	1.4
285.12302	4.2
287.13907	9.4
289.15546	1.7
291.11270	5.3
292.11884	2.4
293.09601	1.9
293.12698	8.8
294.13449	2.0
295.10724	6.8
295.14078	2.7
296.11771	3.8
297.12326	67.7
298.12955	9.4
299.13614	2.2
309.08905	2.6
309.12326	39.9
309.15900	1.9
310.13080	16.6
311.13751	6.3
313.11877	5.3
315.13367	2.3
319.10794	6.2
321.12320	11.6
322.13382	1.5
323.10187	2.1
324.11005	3.0
325.11703	5.8
326.11948	1.6
331.12750	4.2
337.11786	72.4
338.12561	26.3
339.13382	80.9
340.13934	6.8
345.14542	2.8
369.14526	14.3
370.14880	3.6
371.16022	40.0
385.13739	2.6
402.17984	1.4
418.17477	1.8
434.20450	1.3
438.20358	7.4
442.17593	4.6
450.20178	1.4
460.18665	62.6
461.18970	5.5
464.18512	2.1
465.18991	2.4
466.20120	1.8
472.32532	1.4
478.19733	52.5
478.61984	1.3
479.19852	5.8
480.21506	9.5
496.20804	1.4
510.22281	17.2
511.23111	3.3
541.79169	1.4
583.25189	2.7
601.26514	59.5
601.36389	2.8
602.26587	3.9
633.28296	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	633.2921
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
62.26821	0.9
64.54176	1.0
69.07056	3.2
69.28108	5.9
76.43346	1.0
78.86738	0.8
79.05462	1.1
85.02892	1.0
86.09703	11.2
88.03973	1.5
89.06034	1.2
91.05453	1.3
94.06549	4.5
98.06033	1.9
98.23441	2.4
104.05307	3.4
106.06543	1.2
108.08111	1.4
109.02837	1.1
110.06046	1.1
121.02875	2.8
122.06046	8.6
134.06018	1.9
136.07562	15.5
138.05499	33.6
140.07072	13.0
146.06017	10.4
146.09651	1.6
147.04347	1.1
148.07591	8.1
152.07063	3.2
164.07047	10.3
166.08615	6.3
172.03949	3.7
174.05669	6.8
174.09109	1.4
176.03688	1.1
176.05598	1.5
176.07057	17.3
180.21660	1.0
190.04971	2.5
201.12598	1.2
204.06580	5.4
206.08244	1.7
209.10809	1.4
218.08122	1.3
221.10745	1.9
223.12239	1.8
224.13043	1.4
225.10158	3.1
233.73108	1.0
235.08638	1.1
235.12427	1.2
236.13156	1.0
237.10149	8.0
237.13719	2.2
238.10970	10.4
239.11784	9.7
240.12050	1.3
246.07596	1.6
248.09354	2.1
249.10165	4.8
250.11023	3.3
251.11783	12.1
252.12526	1.9
253.13329	2.5
261.12387	2.8
262.11075	1.8
263.11758	14.1
264.08899	2.0
264.12292	2.9
265.09778	4.5
265.13312	23.0
266.10425	2.0
266.13596	1.4
267.11322	4.0
269.12900	1.4
271.14377	7.4
277.09738	4.0
277.13187	2.4
278.10474	2.5
279.11255	100.0
280.11908	10.3
281.12781	4.0
283.10684	3.7
283.14188	1.4
285.12360	1.8
287.13815	7.4
289.08456	1.1
291.11154	4.5
292.12021	1.8
293.09891	1.1
293.12753	6.9
294.13535	2.2
295.10712	3.0
295.14258	1.4
296.11539	3.4
297.12320	46.0
298.13025	7.0
299.13931	2.0
309.12323	34.5
309.15897	1.9
310.13046	17.1
311.13855	5.5
313.11902	4.2
319.10675	5.2
321.12381	10.5
323.13708	1.2
324.10989	2.4
325.11844	4.7
331.12933	2.3
337.11816	60.5
338.12567	24.0
339.13388	75.0
340.13919	3.4
345.14496	1.7
369.14517	9.2
370.14819	2.1
371.15988	13.0
374.17563	3.1
385.13864	1.2
400.16464	2.0
402.16937	3.6
438.20071	5.2
442.17786	3.9
450.20062	1.4
460.18634	45.8
461.19217	5.0
465.18518	1.6
466.19507	2.5
478.19714	53.4
479.20395	8.2
480.21213	8.3
496.20490	1.4
510.22205	11.5
512.22906	1.3
583.25098	2.8
601.26532	94.6
602.26648	8.4
633.28314	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	633.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68399	0.6
54.75783	0.7
67.05504	0.7
69.03420	1.2
69.07059	1.7
69.31996	3.5
79.05502	0.8
84.04496	1.2
85.02872	1.0
85.10338	0.6
85.72392	0.6
91.06650	0.7
94.06554	1.2
97.02894	0.7
98.22641	1.0
108.04450	0.7
108.08100	0.6
110.06013	0.7
113.06000	0.7
120.04482	1.0
120.08109	0.9
122.06039	3.5
122.65987	0.7
123.81623	0.6
127.03835	0.7
129.81195	0.6
131.08600	0.7
134.06039	1.2
136.03949	0.7
136.07561	9.9
138.05522	2.1
140.01665	0.9
140.07047	5.8
142.05003	0.8
146.06023	3.7
146.09657	1.2
147.04381	1.2
148.07567	1.3
152.07054	1.6
154.03210	1.0
162.05556	1.0
162.09088	1.1
163.03864	1.5
164.07068	13.1
166.08621	3.4
172.03940	3.2
174.05510	1.6
176.07033	5.4
203.14409	0.7
204.06567	5.7
204.10092	0.7
206.08138	2.4
208.09663	1.3
210.09715	0.8
210.11584	2.3
211.12367	1.0
221.10748	1.5
222.11618	1.9
223.12262	2.1
224.13138	1.8
225.10329	0.8
235.08727	1.0
235.12343	2.5
236.13062	1.3
237.10176	7.1
237.13814	2.4
238.11034	3.2
239.11726	4.7
247.12485	1.4
248.09441	3.4
249.10161	6.4
250.10933	4.3
251.11768	7.1
252.12492	1.0
253.13310	1.7
255.11368	1.1
257.05933	1.7
261.12463	1.2
262.10904	1.0
263.11740	22.3
264.12494	4.3
264.98901	0.8
265.09778	8.1
265.13400	18.4
266.10529	0.9
266.13754	1.0
267.11389	2.4
269.12817	2.7
271.14319	1.4
273.14880	2.2
277.09637	1.5
278.10574	2.4
279.11246	34.1
280.11978	3.6
281.12912	2.7
282.13681	1.7
283.10818	1.0
283.14420	1.0
285.12387	1.2
287.13876	2.0
291.11240	5.9
292.12015	1.4
293.12772	5.1
294.13474	1.1
295.10739	2.5
295.14261	1.4
296.11627	2.2
297.12326	22.4
298.12979	2.7
309.12289	49.6
310.13040	15.6
311.13773	6.3
313.11813	2.1
315.13403	1.0
319.10709	3.3
321.12430	2.5
325.11896	1.8
331.12976	0.9
337.11795	37.7
338.12585	11.3
339.13324	15.6
339.17130	1.2
340.13889	1.2
345.14410	3.3
351.13251	1.0
369.14407	63.0
370.15131	13.2
371.15939	17.1
372.16605	1.6
438.20322	1.1
442.17807	1.7
450.19913	2.2
452.18945	1.1
460.18643	12.8
461.19174	1.1
478.19708	12.6
479.20343	0.9
480.21704	1.5
492.21326	1.6
510.22318	100.0
511.22745	7.1
556.19214	0.8
601.26569	16.6
602.26093	1.2
633.29004	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	633.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53243	0.7
67.05503	3.4
69.07065	34.3
91.05482	1.0
94.06557	2.1
95.04945	1.4
97.13600	0.8
98.22700	1.9
106.06577	2.3
106.24839	0.9
107.18946	0.8
108.08108	6.2
120.08098	2.4
121.08897	2.8
122.06040	6.2
122.09653	2.5
124.07577	1.3
126.93341	0.9
132.08076	1.3
134.06023	1.0
136.07570	9.1
138.05498	19.1
138.06473	1.7
140.07054	54.1
141.42906	1.0
146.06020	2.6
147.06808	2.6
147.07961	1.1
148.07547	10.6
150.09142	6.4
152.07051	45.1
155.76012	0.9
162.05550	1.2
164.07028	2.1
166.08617	13.0
167.09514	1.7
172.03969	1.4
174.05476	2.0
174.09135	2.5
176.07048	5.3
190.05003	1.4
192.02003	0.8
192.06615	1.4
194.08131	3.2
197.10695	1.2
198.11505	1.6
199.08656	1.0
199.12231	0.9
204.06534	1.4
206.08185	1.8
211.08855	1.0
211.12300	1.9
212.13017	1.3
213.13780	1.1
218.08328	0.9
223.12184	1.2
225.10307	3.2
225.13765	1.2
226.10924	1.8
227.08109	1.7
227.11758	2.2
229.13426	1.3
235.12302	2.2
237.10272	2.1
237.13882	1.3
238.11014	3.8
239.08138	1.0
239.11761	20.1
240.10194	1.5
240.12442	1.8
241.09605	1.9
242.11615	1.2
243.11356	1.7
244.09882	1.1
246.07610	2.6
249.10179	2.4
250.11160	1.1
251.11707	5.6
252.12497	2.1
253.09671	1.9
253.13354	3.3
255.11284	3.0
256.11758	1.2
261.12292	5.9
263.11813	3.0
264.08920	1.4
264.12619	1.9
265.10110	4.8
265.13339	10.7
266.10547	4.3
266.13971	1.4
267.07761	1.5
267.11298	9.5
268.11954	1.3
269.09048	1.0
269.12961	1.6
271.11469	1.7
271.14352	10.3
277.13260	1.1
278.10590	1.0
279.11270	17.6
280.12003	8.7
281.09351	3.4
281.12854	15.9
282.13406	1.1
283.10931	4.5
284.11609	2.6
285.12277	6.0
287.14014	4.8
289.15637	1.5
293.12769	2.8
294.13657	1.8
295.10797	2.1
295.14410	2.4
296.11594	3.0
297.12302	9.5
298.13077	15.3
299.13889	9.7
300.12277	1.4
306.13229	1.2
307.14255	1.2
309.12332	8.4
310.13068	4.6
311.10281	3.8
311.13901	4.0
312.14493	1.9
313.11829	7.4
315.13452	3.5
316.14273	1.2
318.16254	1.1
319.14230	1.2
321.12396	1.7
322.13116	3.0
323.13898	3.8
324.11075	4.9
325.11646	2.3
326.12534	1.1
331.13019	3.3
332.14044	1.7
337.11655	5.1
338.12570	3.7
339.13394	13.4
340.14240	8.2
345.14676	2.9
346.15335	1.5
347.16266	1.6
351.19513	2.3
362.15149	1.1
364.20316	2.0
365.14731	1.2
367.12778	1.3
371.16003	2.1
372.16791	3.5
374.14706	1.4
376.16452	1.2
377.17688	1.1
378.17917	2.4
385.13885	2.5
388.16479	1.2
390.18304	1.7
392.15799	3.2
392.20154	2.1
393.17239	1.0
403.18591	1.2
406.17432	4.6
410.20773	3.7
418.17505	2.5
419.18298	2.0
420.19107	10.2
422.16867	1.2
424.18240	3.2
433.17557	1.3
434.20694	2.7
435.18640	1.7
436.18246	2.1
437.19397	24.1
438.20215	24.0
448.18671	2.1
450.20212	14.1
451.20734	1.2
460.18677	3.8
462.20154	8.5
464.18130	15.0
465.18921	11.0
466.19699	11.8
478.19699	70.8
479.20325	14.2
480.21277	8.6
510.22339	23.9
510.29996	1.1
511.23087	7.0
559.25549	1.4
565.25116	1.2
583.16852	1.5
583.25549	21.0
601.26508	100.0
602.26624	5.5
633.28986	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	633.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.5
51.02370	0.8
55.05508	1.8
57.07063	0.4
60.82832	0.3
67.05500	4.3
69.07066	2.2
69.16808	2.2
78.03001	0.5
78.03445	8.0
79.05486	5.4
80.05017	4.1
81.07054	6.6
83.08594	1.0
91.05472	5.2
93.07039	6.3
95.04957	1.2
95.08601	6.9
95.09201	0.4
96.04481	4.5
97.10186	0.5
98.22686	0.7
103.05434	0.7
105.04503	0.7
105.07020	10.0
106.02909	18.6
107.08582	5.8
108.04481	0.9
109.10132	2.9
115.05436	0.8
117.07013	3.1
119.08566	9.9
121.10146	3.0
123.11689	1.8
124.03941	100.0
125.04298	1.4
126.22308	0.4
128.06152	0.8
129.06984	3.0
130.07767	0.8
131.08560	6.8
133.10118	7.0
135.11694	1.0
138.05484	1.6
140.73659	0.3
141.06944	1.4
142.07770	2.2
143.08549	5.7
144.09328	1.5
145.10114	13.0
147.11670	3.6
153.07054	0.5
154.07802	0.7
154.76213	0.4
155.08521	4.4
156.09299	2.2
157.10114	7.3
158.10857	1.4
159.11682	9.7
161.13257	2.3
167.08524	1.0
168.09320	1.4
169.10114	6.7
169.11464	0.5
170.10921	1.9
171.11667	8.2
172.12343	0.7
173.13234	7.4
175.14798	0.8
181.10114	1.6
182.10863	2.0
183.11673	6.7
184.12381	1.2
185.13243	6.4
186.14009	0.9
187.14799	15.2
188.15511	2.5
189.16377	1.5
190.08653	1.6
195.11691	1.2
196.12459	1.4
197.13249	7.2
198.13940	0.6
199.14803	5.7
201.16409	3.2
205.15887	0.6
209.13200	1.1
210.14052	0.8
211.14787	7.5
212.15205	0.4
213.16350	1.6
223.14758	1.0
225.16321	4.8
237.16396	0.4
239.17932	1.5
252.18840	0.5
265.19553	0.5
267.21054	17.2
268.21487	0.9
285.22397	0.4
364.55170	0.4
390.24246	14.2
391.24545	0.8
408.25415	3.9
450.26169	0.6
513.27386	3.4
531.28546	2.8
546.15338	0.4
546.92804	0.4
573.29431	1.1
633.30640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.8
51.02374	1.6
53.03931	1.6
53.22390	0.3
53.85584	0.3
55.01855	0.3
55.05498	0.7
65.03936	0.5
67.05492	1.8
69.03404	1.0
69.07045	0.8
69.18363	1.8
77.03926	1.2
78.03449	13.0
79.03808	0.4
79.05484	2.3
80.05013	6.0
81.03412	0.5
81.07050	2.2
83.05003	0.5
83.08616	0.4
91.05479	3.2
93.07041	2.5
95.04962	6.4
95.08594	2.9
96.04489	6.4
97.02879	1.2
97.06520	0.4
98.22774	0.7
105.03385	38.4
105.04408	2.7
105.07017	5.2
106.02906	32.4
106.03471	0.7
107.03261	0.6
107.04950	1.2
107.08582	3.5
109.06530	1.6
109.10149	0.9
111.08082	0.4
115.05381	0.6
117.06987	1.5
119.04929	0.6
119.08566	6.5
121.06479	1.2
121.10117	4.0
123.08051	1.4
124.03940	100.0
125.02357	0.8
125.04279	1.3
127.03900	0.7
128.06227	0.9
129.06999	1.1
130.07845	0.4
131.08566	3.9
133.06480	0.6
133.10114	6.2
134.07217	0.7
135.08064	2.3
135.11699	0.8
140.03433	0.4
141.05489	0.4
141.06989	0.7
142.07794	1.8
143.03378	0.6
143.08519	2.7
144.09319	0.9
145.10104	8.4
147.08017	0.9
147.11682	3.5
149.09596	1.2
153.05473	0.6
153.06889	0.4
155.08560	1.1
156.09306	2.1
157.10106	5.5
158.10889	1.1
159.08047	1.2
159.11691	4.9
161.09636	2.2
161.13226	1.1
163.07564	0.9
165.06963	0.6
166.05016	0.6
166.07674	0.4
167.08580	1.2
168.09262	0.5
169.10132	2.0
170.10895	2.0
171.08095	0.5
171.11655	4.6
172.12411	1.4
173.09607	1.9
173.13237	4.3
174.14041	1.2
175.11172	1.6
175.14841	1.1
179.08540	0.8
181.10104	1.2
182.10886	0.3
183.11665	4.3
184.07507	0.7
184.12473	0.5
185.09610	1.2
185.13263	3.1
186.10435	0.4
187.11234	1.8
187.14809	8.9
188.11945	0.6
188.15543	0.9
189.09155	0.5
189.12746	1.3
193.10124	1.1
194.10808	0.6
195.11670	2.0
196.12253	0.5
197.09584	0.6
197.13255	2.7
198.14001	3.8
199.11121	0.9
199.14780	3.2
201.09099	0.8
201.12714	2.5
203.14282	2.7
206.11105	0.4
206.31932	0.4
207.11681	1.2
208.12517	0.8
209.07990	0.7
209.09758	0.4
209.13304	1.2
211.11108	0.4
211.14828	0.9
213.16264	0.4
215.14297	1.3
216.15083	3.1
217.15880	1.5
217.17793	0.3
219.11737	0.4
221.13251	0.7
222.13954	0.5
223.11174	1.0
223.14760	1.3
225.12689	0.9
226.13313	0.4
227.10736	0.6
227.14259	0.7
228.06586	1.4
229.15903	0.5
232.12370	0.4
237.12724	0.9
237.16451	1.3
239.14343	0.4
239.17967	0.8
241.12210	0.6
241.15948	0.9
245.11842	0.4
247.09628	0.9
247.14850	0.9
249.16396	0.7
250.13348	0.3
250.35672	0.3
251.10631	0.5
251.14328	0.4
255.17371	2.0
265.15802	2.8
267.17426	0.5
269.15399	0.6
271.13159	0.4
273.14783	0.7
275.14215	0.4
283.16864	4.2
285.14807	0.5
287.16312	2.1
293.15146	1.7
301.17929	2.2
308.16489	0.5
310.18124	0.4
311.16364	10.0
312.16678	0.7
329.17447	11.9
330.17697	0.6
371.18286	0.6
393.96420	0.4
434.19632	3.9
451.20828	0.4
452.20505	1.3
494.21292	0.7
512.22968	0.6
556.23450	0.5
574.24109	1.3
616.25171	2.2
630.68335	0.4
634.25989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	1.6
51.02376	3.2
51.02575	0.6
53.03937	3.3
61.53431	0.5
65.03936	0.6
67.05522	2.7
69.03426	0.8
69.07060	0.6
71.43273	0.7
77.03919	2.3
78.03450	29.0
79.05485	2.1
79.69189	0.5
80.05011	3.1
81.03426	0.5
81.07063	2.5
82.77172	0.5
83.04964	1.5
87.04462	3.0
89.06019	2.0
90.31319	0.5
91.05473	3.5
93.07044	3.7
95.04964	12.6
95.08599	1.4
96.04490	7.5
97.02884	1.8
97.06539	1.0
103.05451	0.7
105.03385	71.6
105.04414	6.6
105.07014	8.6
106.02911	61.6
106.03580	1.7
106.07387	0.9
107.03291	1.0
107.08586	2.3
109.06518	1.8
109.10145	0.5
111.04436	1.7
111.08075	0.5
115.05499	0.8
117.07032	1.8
119.04860	0.7
119.06075	0.8
119.08558	5.4
121.06506	2.6
121.10134	2.4
123.08072	1.5
124.03945	56.9
127.01553	1.5
128.06187	0.7
129.06972	1.8
131.08586	2.4
133.06483	0.9
133.08578	0.8
133.10133	2.8
135.08084	2.8
141.07007	1.0
142.07768	2.0
143.08585	3.1
145.10150	2.4
147.08047	3.2
147.11685	1.9
149.09616	1.6
151.07434	0.6
153.03122	2.1
153.07021	0.8
155.07043	0.9
155.08545	1.4
155.22289	0.5
156.09299	2.9
157.10121	5.9
158.10922	0.9
159.08040	0.9
159.11690	2.2
161.09596	1.5
165.07080	1.2
165.09079	0.6
166.07809	0.6
167.08588	1.8
169.10176	2.7
170.10861	1.0
171.11673	7.3
173.09615	2.0
173.13254	2.0
174.10349	0.6
175.11191	2.3
175.91206	0.6
179.08563	2.1
180.09329	1.0
181.10155	2.0
183.11711	2.6
184.12401	0.7
185.09621	1.2
185.13240	3.0
187.11177	2.1
187.14873	0.6
188.91414	0.5
189.12749	1.4
192.09384	0.6
193.10088	2.7
194.10902	1.8
195.11763	1.5
196.12433	0.6
197.05836	0.6
197.09538	0.8
197.13249	1.4
199.11172	1.6
199.14789	1.6
200.11992	1.1
201.12723	1.1
203.10663	0.7
207.11734	1.9
207.13586	0.6
208.12439	1.7
209.13214	4.3
211.11221	0.8
212.12019	0.6
213.12709	2.9
217.12331	0.8
218.11026	0.6
219.13914	0.7
221.13344	1.1
222.14177	0.7
223.11276	0.7
223.14769	4.2
225.12720	1.3
225.56493	0.6
227.14305	1.5
228.06563	1.1
237.16331	0.8
241.15913	1.2
251.14343	1.9
265.16034	0.9
269.15405	1.6
283.16904	0.7
287.16406	1.4
293.15143	0.9
303.15891	1.4
311.16495	2.0
329.17422	3.0
336.11786	0.6
410.19452	0.8
428.25616	0.5
452.20676	2.3
470.21582	0.9
512.22614	4.0
574.24310	2.8
592.25372	1.4
623.21008	0.7
634.26410	100.0
635.26788	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	634.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
52.01882	0.2
53.03934	0.3
63.61134	0.1
67.05490	0.3
68.05016	0.1
69.07066	0.1
69.82767	0.3
77.03925	0.1
78.03449	0.9
79.04216	0.1
79.05476	0.2
80.05010	5.3
81.07040	0.2
81.89120	0.1
91.05463	0.2
93.07049	0.2
95.04958	0.9
95.08588	0.3
96.04485	4.1
97.87640	0.1
98.22805	0.1
102.24026	0.1
102.24830	0.1
102.62515	0.1
105.03384	7.8
105.04398	0.4
105.07007	0.4
106.02902	0.9
106.03643	0.1
107.08598	0.1
109.06522	0.2
109.10163	0.1
115.36726	0.1
117.07026	0.1
119.08569	0.5
121.10143	0.3
123.08097	0.2
124.03941	100.0
125.02387	0.1
125.04282	1.0
129.07050	0.1
131.08614	0.2
133.10135	0.7
135.08080	0.2
140.03391	0.2
142.07747	0.1
143.08598	0.1
145.10101	0.6
147.08020	0.1
147.11688	0.2
149.09566	0.1
155.08514	0.1
156.09319	0.1
157.10103	0.5
158.10873	0.1
159.08047	0.1
159.11700	0.5
161.09622	0.2
161.13200	0.1
169.10147	0.1
170.10910	0.2
171.11655	0.4
173.09593	0.2
173.13316	0.4
175.11244	0.2
175.14813	0.1
183.11685	0.2
184.07587	0.2
185.13295	0.3
187.14821	0.9
195.11653	0.1
197.13269	0.2
198.14101	0.2
199.14760	0.2
201.12814	0.1
203.14299	0.4
205.08887	0.1
216.15205	0.2
217.15866	0.1
223.14844	0.1
228.06548	0.7
231.10318	0.1
255.17464	0.1
265.15793	0.2
283.16910	0.4
287.16318	0.4
293.15359	0.2
301.17953	0.3
311.16394	0.8
329.17361	1.4
329.20856	0.1
434.19626	0.1
452.20261	0.1
574.24487	0.1
634.26385	6.1
635.27045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01863	10.4
57.03409	1.4
57.07077	7.5
57.63908	1.2
58.77593	1.2
67.05498	5.0
69.03416	7.1
69.07069	8.5
69.61787	4.9
70.02957	6.3
71.04986	1.5
72.04511	24.3
73.02916	9.8
74.89563	1.1
81.03410	16.5
83.04967	7.4
85.02887	7.5
85.06530	10.0
86.09688	3.5
87.08086	3.6
90.05549	36.1
90.75079	1.2
91.05475	5.3
95.04956	9.7
96.08126	2.1
97.02888	9.9
98.02407	18.1
99.04446	4.5
100.03979	7.3
103.03925	1.9
103.07562	4.8
109.02177	2.3
109.02872	28.7
112.07591	2.6
113.05994	5.3
115.35467	1.2
116.03442	21.2
124.07581	24.7
127.03908	15.2
131.07051	1.6
132.06561	10.4
132.10150	2.3
138.05525	2.9
139.03891	1.4
142.08624	19.2
145.04953	7.2
151.03874	6.1
160.09651	6.2
162.20819	1.2
166.08592	4.0
172.09668	3.8
174.11269	6.4
181.04883	2.0
184.09680	34.3
187.05974	1.9
198.07616	5.6
199.05969	4.6
202.10728	100.0
203.11259	2.5
211.09627	9.6
216.08772	5.9
217.07068	2.7
220.11768	21.1
230.10190	15.4
234.09666	9.0
244.11807	3.7
255.73282	1.4
262.12827	20.9
310.12766	11.8
328.13882	99.6
329.14191	3.5
346.14932	15.7
364.15973	51.0
365.16388	2.2
396.14932	3.5
479.28607	1.4
508.19934	1.6
526.21271	2.2
635.19147	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	634.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.9
51.02361	2.1
53.03950	2.4
55.01861	0.5
55.05502	1.3
57.07068	2.9
59.04972	0.5
65.03923	1.1
67.05161	0.8
67.05499	13.2
69.03431	2.4
69.07063	1.6
69.34866	2.2
71.04985	2.8
71.08624	4.9
77.03915	3.4
79.05480	3.7
81.03420	0.5
81.07051	10.7
83.04977	1.9
83.08615	0.6
83.53528	0.4
85.02885	1.0
85.06506	0.6
85.10159	2.2
87.04447	2.3
89.06020	13.3
91.05465	6.3
93.07034	6.7
94.07346	0.5
95.04960	21.6
95.08612	2.5
97.02884	9.4
97.06518	1.4
102.77920	0.4
103.05450	0.6
105.03384	100.0
105.04403	7.2
105.07011	7.0
106.03699	0.8
107.04941	0.8
107.08572	2.8
109.06515	2.3
109.10150	0.7
111.04411	3.1
111.08084	1.9
113.05991	2.3
115.05431	0.7
117.07033	3.4
119.04955	1.0
119.08571	33.3
121.06510	5.4
121.10136	1.2
123.04424	2.8
125.05982	0.6
127.07516	0.6
128.06224	1.1
129.06996	1.8
130.07770	0.8
131.07036	0.8
131.08530	4.8
133.06482	1.2
133.08595	8.5
133.10091	5.0
135.08047	2.8
137.05969	1.7
137.09691	0.5
139.07559	0.8
141.05458	10.7
141.06995	0.9
142.07803	2.4
143.08559	4.8
144.09334	0.6
145.10121	5.3
147.08023	1.8
147.11673	1.2
149.09587	2.8
153.09152	0.8
155.07037	14.4
155.08537	3.3
156.09346	3.0
157.10117	8.3
158.10881	1.3
159.06628	0.6
159.08078	1.1
159.11674	9.4
159.12946	0.7
161.09566	2.2
161.13249	0.5
163.11118	1.0
165.06941	1.0
165.09094	1.8
167.08565	1.9
168.09346	1.0
169.10107	8.7
170.10895	3.7
171.11673	10.1
171.13026	0.7
173.09639	1.2
173.13268	8.5
175.09750	0.6
175.11130	1.0
175.14737	0.5
177.09166	0.8
177.11209	3.5
177.12648	0.9
179.08546	1.4
180.09358	1.0
181.08673	0.7
181.10060	2.4
182.10934	2.1
183.11673	6.4
184.12436	2.9
185.09592	3.6
185.13231	5.4
186.10362	0.6
187.11220	1.2
187.14774	0.7
191.10654	0.6
191.14424	0.4
192.09363	1.3
193.10114	4.0
194.10889	1.7
195.10123	0.5
195.11678	4.8
196.12457	1.5
197.09604	0.6
197.13239	16.3
198.13959	0.7
199.11237	0.8
199.14789	1.0
201.12726	4.3
203.10524	0.8
203.14357	1.3
204.58493	0.4
205.10147	2.2
206.10939	1.7
207.11688	5.1
208.12383	0.8
209.11650	0.7
209.13287	6.5
210.13974	0.8
211.11208	1.2
211.14827	7.8
215.14328	1.8
219.11655	2.2
220.12436	14.9
221.13258	4.3
223.11174	0.6
223.14772	3.4
224.11980	0.8
225.12718	1.2
225.16327	5.9
233.13350	1.0
234.13939	2.4
235.14796	22.0
236.15300	1.3
237.12766	0.9
239.14458	0.5
239.17853	1.1
244.12527	0.6
247.11148	0.5
247.15012	0.5
247.20677	1.3
249.16364	6.6
251.14255	1.0
253.12050	0.9
253.15913	7.5
255.13837	2.8
259.14813	1.0
262.13522	0.6
267.17355	3.4
269.15356	1.2
271.16940	4.9
277.15784	3.3
280.14612	1.6
285.18506	1.1
291.23090	4.1
295.16901	15.5
313.17950	54.6
314.18332	2.5
316.49380	0.4
317.13950	1.4
331.19000	4.1
335.25818	1.2
373.19910	0.6
400.86194	0.4
435.21646	1.5
491.28278	0.8
617.42407	1.0
634.30115	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	634.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.6
50.36252	0.3
51.02371	1.7
53.03942	2.4
55.01866	0.6
55.05506	1.0
57.07068	1.5
59.05005	0.4
63.62054	0.4
64.70542	0.4
65.03928	0.9
67.05165	0.6
67.05504	10.5
69.03422	1.7
69.07054	1.0
70.15404	0.9
71.04989	3.0
71.08631	3.0
73.02909	1.6
73.06553	1.0
77.03917	2.6
79.05486	2.9
80.50694	0.4
81.03436	0.4
81.07053	7.5
83.04964	1.8
83.08584	0.5
85.06535	0.4
85.10171	2.4
87.04466	6.7
88.02010	0.4
88.04789	0.7
89.06024	10.4
91.05476	5.1
92.32552	0.4
93.07044	5.0
94.10454	0.4
95.04963	20.3
95.08600	1.6
97.02886	7.6
97.06530	1.2
98.23418	0.4
102.06803	0.6
103.05452	0.7
105.03386	100.0
105.04405	7.0
105.07015	15.8
106.03707	2.0
106.07353	2.1
107.08598	2.0
108.93845	0.4
109.06509	1.8
109.10146	0.9
111.04439	2.8
111.08077	1.5
113.05997	1.8
115.05459	0.4
117.07021	2.6
119.04969	0.9
119.08571	26.8
120.08882	0.7
121.06480	3.9
121.10130	1.2
123.04422	1.0
123.08067	0.5
124.08070	0.4
125.06024	0.4
127.01556	0.5
127.07519	0.7
128.06207	1.1
128.44138	0.5
129.07010	1.2
131.06995	0.7
131.08566	3.4
133.06473	0.5
133.08589	5.3
133.10123	3.3
135.08047	1.1
137.05972	1.7
139.01569	0.8
139.07530	0.7
141.05458	8.3
141.07048	0.6
142.07739	2.2
143.08545	3.0
145.06580	0.4
145.10123	4.4
147.07991	2.4
147.11642	0.9
148.08377	0.5
149.09601	1.2
151.07526	0.6
153.06934	0.5
153.09076	0.7
153.57851	0.4
155.07037	13.1
155.08504	1.9
156.09326	2.4
157.10129	7.1
158.10921	0.8
159.08011	1.2
159.11679	7.4
161.09608	1.4
163.11224	0.6
165.07117	0.5
165.09126	1.0
167.08577	1.2
168.82056	0.5
169.10109	6.6
169.11465	0.5
170.09637	0.6
170.10863	3.3
171.11670	7.2
173.09612	0.9
173.13264	7.5
175.11186	0.6
177.09158	0.7
177.11185	2.6
178.07736	0.4
179.08543	1.6
179.10333	0.4
180.09392	0.9
181.08638	0.9
181.10136	1.5
182.10960	1.3
183.11687	6.1
184.12425	2.1
185.09644	2.9
185.13214	4.7
186.10385	0.7
187.11162	0.9
187.14810	0.6
192.09334	0.7
193.10139	2.8
194.10919	1.2
195.11688	4.4
196.12440	1.0
197.13243	14.4
198.13800	0.9
199.12679	0.7
199.14647	0.9
201.12743	2.8
202.13362	0.5
203.10753	0.6
203.14343	1.2
205.10107	2.4
206.10912	1.2
207.11690	4.2
208.12378	0.9
209.13257	5.2
210.14049	0.6
211.11166	0.6
211.14783	5.8
215.14384	1.1
219.11798	1.2
220.12468	10.5
220.14546	0.8
221.13245	3.5
223.11224	0.6
223.14822	2.3
225.12753	1.1
225.16338	4.5
234.14043	2.5
235.14806	20.0
236.15340	1.1
237.12749	0.9
239.17937	0.9
244.12544	0.6
247.20442	1.1
249.16367	5.6
251.14417	0.7
253.12045	0.6
253.13095	0.6
253.15845	7.2
255.13725	2.6
257.11856	0.5
262.13702	0.6
267.14053	0.5
267.17410	2.3
269.15228	0.5
269.27173	0.4
271.16879	3.6
277.15829	3.0
280.14645	1.7
285.18503	0.8
291.23218	0.9
295.16891	12.0
313.17944	48.8
314.18161	2.0
317.13824	1.1
331.18927	1.4
332.85172	0.4
435.21783	1.0
451.84338	0.5
572.11981	0.5
630.75067	0.5
634.30792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
60.05653	5.6
66.71433	1.0
68.05035	4.0
68.99803	2.5
69.12136	5.5
69.12544	2.3
70.06586	10.5
70.45815	1.0
72.05645	5.2
77.03989	1.7
78.03441	1.5
80.05004	1.3
81.03449	1.2
82.05348	1.5
83.06108	3.4
84.05642	3.1
91.05481	2.9
92.05039	1.3
95.04990	2.2
95.06103	4.9
96.04509	4.5
98.22697	2.6
103.05458	26.4
103.06075	1.6
104.05021	4.1
105.03419	2.5
105.07080	1.2
106.06568	2.1
109.03974	6.7
109.07656	3.9
110.02453	1.4
111.05592	3.0
112.08717	58.5
115.05457	1.4
119.04900	1.3
122.06073	3.2
128.06255	1.2
131.04915	75.5
132.04422	2.2
132.05357	1.6
134.06096	3.8
137.94193	1.0
138.01883	4.7
147.04428	2.9
150.01866	1.9
150.05551	3.2
158.06026	3.3
159.04462	2.2
160.07611	1.6
162.05489	9.9
165.01918	2.5
166.01347	6.8
167.02223	2.4
168.02939	2.0
169.01389	4.5
172.04037	2.2
174.05533	3.3
176.07077	1.7
178.01306	11.4
179.93486	1.2
184.02458	1.8
184.04007	2.0
186.05392	6.6
188.03474	1.8
189.06624	1.6
190.05072	3.9
191.03456	1.9
192.02979	3.5
196.02455	2.7
198.05573	3.6
199.03955	2.5
200.03410	2.8
200.07076	2.7
202.04953	7.8
204.02998	2.2
204.06651	3.0
205.06042	11.0
208.02588	1.4
210.05522	3.0
212.07092	1.5
213.05550	3.4
214.05052	2.7
215.04590	3.0
216.02982	2.1
218.01140	1.7
218.04465	16.8
223.07172	10.6
225.05472	2.5
226.05188	4.7
228.02939	2.7
228.06709	4.3
229.06187	3.4
230.04425	8.2
232.06250	1.5
233.05698	4.9
238.05034	1.5
240.03101	1.8
241.04930	3.0
242.04518	1.8
242.05919	1.3
242.08228	1.9
244.05940	10.3
248.05600	1.8
250.05115	1.5
252.02884	1.4
254.04335	12.6
255.05295	1.5
256.06265	3.7
257.05783	2.7
258.04123	4.1
260.06616	6.2
266.04477	6.1
268.06290	3.4
270.07855	3.3
272.05511	32.7
272.08191	2.0
278.04669	2.3
282.04099	3.6
282.07864	3.6
288.01541	2.8
290.06671	1.5
294.03888	10.7
296.06235	4.9
296.09509	1.6
298.00046	2.0
298.03522	2.7
299.06934	1.6
300.05597	1.2
306.03204	2.2
310.03738	1.8
313.09521	1.7
320.09119	1.5
322.03461	24.4
322.10678	2.0
323.04010	2.3
324.04999	19.8
329.06522	1.6
334.02124	1.3
334.11108	2.6
338.03128	3.2
340.04776	4.2
342.06482	2.1
348.12561	2.6
350.02914	49.6
351.03519	1.6
358.11008	5.3
359.11444	1.4
360.12802	1.8
364.13037	2.3
366.07040	3.0
367.06049	3.6
368.03967	7.2
375.13617	1.4
376.11740	58.3
377.12360	2.0
384.08466	1.6
386.05493	2.3
386.10632	3.7
392.04770	2.3
400.12405	5.8
402.10013	2.9
404.07477	2.7
409.07996	1.6
410.09030	2.9
412.08423	1.9
416.11465	2.2
417.15497	13.4
420.07242	3.0
422.08765	3.0
426.10144	4.8
428.11279	17.9
442.09360	3.2
443.13306	1.6
444.10675	2.0
445.14594	5.5
446.12769	3.8
454.09189	54.0
455.09702	2.1
459.16711	1.8
470.13467	2.8
471.11844	11.5
472.10202	15.9
487.16013	30.4
490.11389	6.1
496.11942	3.6
513.14075	35.1
514.13080	5.1
518.12134	5.9
524.13293	11.5
525.13959	3.5
531.15082	69.5
532.14746	5.7
546.15094	6.4
549.16113	57.0
550.16443	3.9
558.15399	60.9
559.16003	3.8
575.18280	10.2
576.16486	33.8
577.16711	2.6
600.17474	9.1
617.20239	100.0
618.20355	10.5
635.21454	45.3
636.21783	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08300	0.9
55.01863	1.4
59.53991	1.0
60.05651	7.9
68.05027	4.6
68.99801	3.3
69.05810	2.5
69.30361	4.2
70.06594	11.5
72.05649	4.0
79.05522	1.1
80.05029	2.0
81.04557	2.3
82.05332	1.2
83.06116	4.1
84.05647	2.7
91.05482	1.8
92.05027	1.2
94.06574	1.0
95.04964	2.3
95.06091	2.9
96.04508	4.5
103.05463	19.9
103.06097	1.4
104.05000	5.4
105.03363	2.6
105.07008	1.1
106.06571	2.5
107.04955	1.7
107.06087	1.6
109.04010	11.5
109.07629	4.7
109.83014	0.9
111.05568	5.3
112.08726	45.4
115.05470	1.9
119.06070	1.6
122.06063	4.2
123.00801	1.8
131.04927	65.9
132.04445	1.8
132.05321	2.4
134.05977	5.7
135.05536	1.5
137.07153	3.0
138.01862	5.0
139.00322	1.1
145.02946	1.2
146.06041	2.1
146.07120	1.8
147.04483	1.9
148.07553	1.8
150.05531	3.6
150.06645	1.0
155.04878	1.1
158.06079	2.0
159.04460	1.5
160.04042	1.1
162.05502	12.7
163.03891	1.9
163.05054	2.0
165.01883	1.3
166.01361	8.2
166.99767	1.1
167.02179	2.3
168.02954	2.1
169.01343	6.1
170.06018	1.4
174.05539	1.8
176.07129	2.8
177.06682	2.8
178.01340	11.8
178.05037	1.3
182.05963	1.0
184.02512	1.8
185.03223	1.2
186.05554	3.2
187.05037	1.6
188.03519	2.5
190.04990	2.8
190.24767	1.1
191.03297	1.3
192.02861	5.0
196.02486	1.5
198.05392	1.9
199.03897	2.8
200.03577	3.4
200.07199	2.4
202.04962	8.2
203.03360	1.3
204.02994	2.3
204.06689	4.5
205.06061	15.0
210.05574	1.8
211.97398	1.1
212.03586	2.5
213.05542	1.6
214.05087	3.8
215.04565	3.3
216.02943	2.5
218.01086	1.4
218.04460	26.5
219.04955	1.2
220.06071	1.4
223.07141	10.7
225.05562	2.9
226.04909	6.7
228.02934	1.6
228.06673	4.1
229.06248	2.7
230.04381	6.4
233.05605	5.8
236.05510	1.6
238.05086	3.3
240.03059	2.2
240.06508	1.2
240.68401	1.0
241.05013	4.6
242.04770	3.1
242.08167	2.2
244.02399	1.2
244.06036	11.0
248.05659	4.2
254.04333	11.2
256.06409	3.4
258.04169	3.8
260.06662	16.6
262.08325	4.2
266.04465	5.2
270.04117	1.9
270.07651	5.9
271.08423	1.3
272.05515	40.1
278.07727	1.3
279.01721	1.8
280.02820	1.4
280.06110	3.4
280.09283	1.6
281.06506	3.1
282.04224	6.9
282.07700	4.5
284.05566	1.4
288.01514	3.9
294.03986	10.6
296.06104	4.1
296.09399	1.4
298.03632	3.9
300.01575	2.1
300.05164	1.4
306.02661	2.0
312.04990	1.6
316.00742	1.7
322.03494	26.0
322.06381	1.3
322.10834	2.8
324.05069	13.2
326.02725	2.0
329.06317	2.3
338.02951	1.7
340.04681	4.6
341.08081	2.1
342.06137	1.6
348.12601	2.4
350.02930	49.1
351.03296	3.0
358.10553	4.9
359.11578	1.7
360.13077	1.9
364.05612	1.2
364.12946	2.8
366.06857	1.4
366.14377	1.4
367.05505	5.0
368.03885	8.4
374.10696	1.1
375.13385	1.3
376.11804	79.7
377.12350	4.1
383.10461	1.6
384.12469	1.7
385.12656	4.1
386.10590	3.6
390.09787	1.7
392.05371	4.7
400.12381	4.7
402.10049	2.8
404.07703	3.2
404.12073	1.8
412.08499	2.2
416.11905	2.2
417.15598	9.5
420.07278	3.3
422.08780	4.8
426.09940	4.7
428.11359	13.3
442.09329	3.8
444.10889	1.8
445.14822	5.6
446.12640	4.4
453.11862	1.3
454.09210	55.3
455.09836	3.6
462.17334	1.3
470.13391	3.6
471.11966	11.9
472.10272	16.5
487.16089	24.9
488.15298	1.5
490.11276	10.2
496.11227	4.7
513.14203	28.6
514.13300	5.1
524.13458	17.1
525.13904	2.6
529.17871	1.7
531.15125	100.0
532.14862	7.5
546.15393	3.7
547.16296	1.5
549.16174	63.3
550.16681	3.4
558.15472	53.6
559.15881	2.5
575.18005	9.4
576.16516	33.5
577.16669	1.5
599.09473	1.6
600.17670	8.8
617.20227	89.8
618.19501	10.9
635.21417	38.4
636.22388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02370	0.7
53.03947	0.5
58.74134	0.2
67.05497	0.4
68.43842	0.2
68.61903	0.2
69.74751	0.2
78.03004	0.4
78.03448	5.9
79.04225	0.2
79.05476	0.8
80.05013	6.6
81.07033	0.6
83.04974	0.3
91.05459	1.4
93.07038	0.9
95.04936	0.5
95.08598	1.2
96.04484	6.0
97.02906	0.3
98.23537	0.4
103.05450	0.5
105.07010	2.0
106.02907	20.0
107.03264	0.2
107.04902	0.3
107.08549	1.0
109.06492	0.5
109.10165	0.2
110.10587	0.2
115.05444	0.2
117.07011	0.6
119.04953	0.3
119.06007	0.2
119.08563	2.4
121.06497	0.5
121.10135	1.2
123.08065	0.7
124.03941	100.0
125.02359	0.4
125.04277	1.1
127.03937	0.3
127.39494	0.2
128.06219	0.3
129.06985	0.4
131.04939	0.5
131.08582	1.3
133.06357	0.2
133.10109	2.0
135.08063	0.5
138.87595	0.2
140.03421	0.2
141.06938	0.3
142.07791	0.5
143.08591	1.3
144.09348	0.3
145.10109	2.7
147.08026	0.3
147.11691	0.7
149.09613	0.4
155.08534	0.5
155.52110	0.2
156.09335	0.6
157.10107	2.2
158.10909	0.6
159.08058	0.5
159.11633	2.2
161.09590	0.8
161.13275	0.5
166.05046	0.4
168.09319	0.2
169.10121	0.7
170.10912	0.9
171.08145	0.3
171.11649	1.9
172.12451	0.4
173.09654	0.4
173.13234	1.4
174.14011	0.6
175.11214	0.4
175.14787	0.5
179.07149	0.2
181.10130	0.4
183.11664	1.4
185.09625	0.3
185.13269	1.1
187.11227	0.4
187.14793	4.2
187.16313	0.3
188.15431	0.4
193.10208	0.4
195.11667	0.8
196.12517	0.4
197.13232	0.6
198.14000	1.5
199.11090	0.3
199.14857	0.7
201.12718	0.5
203.14253	1.3
207.11665	0.3
209.08058	0.3
209.13353	0.3
211.14857	0.5
215.14296	0.6
216.15103	1.2
217.15898	0.4
223.11192	0.4
223.14697	0.5
225.12810	0.3
227.10730	0.3
227.14270	0.3
229.06064	1.6
237.12839	0.3
237.16299	0.3
241.15790	0.6
247.09525	0.3
251.10602	0.3
255.17412	0.3
265.15866	0.9
267.17148	0.2
269.15341	0.4
273.14948	0.3
283.13123	0.3
283.16898	1.1
287.16443	1.7
293.15387	0.7
301.17941	0.7
310.17947	0.6
311.16367	4.3
329.17453	4.6
330.18164	0.3
434.19519	2.1
452.20761	1.7
494.21500	0.7
499.44308	0.2
509.55167	0.2
557.22778	0.6
575.23987	2.3
617.25842	1.3
635.15955	0.4
635.26044	4.7
636.25879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.7
51.02375	2.2
53.03929	0.8
55.05500	1.0
59.04982	1.5
67.05485	1.6
69.03422	0.9
69.18023	2.3
71.04980	0.7
73.02904	1.2
78.03446	22.8
79.03780	0.5
79.05466	1.2
80.05003	5.5
81.07044	1.6
83.04971	0.9
87.04469	0.5
89.06001	3.4
91.05456	2.7
91.13506	0.4
91.18865	0.4
93.07015	1.5
95.04958	1.0
95.08598	0.9
96.04480	8.1
97.02877	1.4
97.06519	0.5
103.07573	1.0
105.07011	6.2
106.02905	57.7
106.07365	0.6
107.03252	0.5
107.08569	1.2
108.09373	0.4
109.06502	1.0
111.04412	1.3
117.07030	0.7
119.06039	1.0
119.08559	3.9
121.06503	1.1
121.10101	1.0
121.97910	0.4
123.08062	0.6
124.03938	100.0
125.04272	0.9
125.88804	0.4
129.07002	0.8
131.08553	2.0
133.08588	1.6
133.10115	1.2
135.08049	1.4
141.06950	0.6
142.07767	1.8
143.08548	2.2
145.10095	1.6
147.08017	1.5
147.11652	1.1
149.09579	0.8
155.07016	1.2
155.08525	1.4
156.09355	2.3
157.10095	4.6
158.10832	0.6
159.08080	0.6
159.11725	1.6
161.09561	0.6
167.08594	1.2
169.10123	1.5
170.10844	1.3
171.11618	3.6
173.09583	1.2
173.13239	1.5
175.11172	1.8
177.11214	0.7
179.08508	1.6
181.10106	1.8
183.11665	1.6
184.12369	0.6
185.09656	1.0
185.13272	1.9
187.11179	0.9
189.12704	0.8
193.10121	2.0
194.10851	1.2
195.11702	1.3
197.09521	0.5
197.13316	0.7
199.11177	1.2
199.14784	0.7
200.11948	0.6
201.12743	0.9
206.10994	0.6
207.11671	1.7
208.12509	1.3
209.13182	3.8
211.11159	0.6
213.12744	1.1
221.13351	0.6
223.14760	1.8
225.12819	0.8
237.16409	0.7
239.14413	0.5
241.15910	0.7
251.14421	1.2
269.15433	1.3
287.16437	0.8
311.16443	1.0
318.13321	0.5
329.17502	1.6
364.96671	0.4
410.19693	0.5
422.20251	0.5
440.22543	0.4
452.20612	2.4
470.21356	1.0
475.65469	0.4
512.22754	17.7
513.23431	1.0
575.23608	1.6
593.24878	0.6
635.25891	68.0
636.26239	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	635.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02375	0.4
53.03932	0.4
55.05497	0.2
59.04981	0.2
67.05503	0.3
69.03408	0.2
69.07047	0.3
69.16084	0.7
73.02894	0.3
78.03446	4.2
79.04226	0.3
79.05479	0.4
80.05009	5.9
81.03403	0.8
81.07045	0.5
85.02885	0.2
86.21154	0.2
87.04453	0.4
89.06045	1.0
91.05463	0.7
93.07053	0.6
95.04973	0.4
95.08594	0.3
96.04485	5.8
97.02892	0.3
98.22739	0.2
105.07018	1.3
106.02907	16.9
107.08591	1.1
109.06505	0.5
109.10136	0.3
111.04446	0.1
115.05367	0.2
117.06989	0.3
119.08566	1.3
121.06503	0.3
121.10105	0.4
123.08070	0.2
124.03938	100.0
125.04263	0.9
127.01553	0.2
127.03901	0.5
129.07018	0.3
131.08542	0.7
133.08583	0.5
133.10121	0.9
135.08049	0.4
135.11676	0.2
137.05916	0.2
137.09566	0.2
138.05466	0.7
140.03442	0.3
142.07787	0.4
143.08533	0.8
145.10052	0.6
147.07979	0.2
147.11671	0.5
149.09584	0.5
155.08485	0.3
156.09303	0.3
157.10115	0.9
157.60962	0.2
158.10831	0.2
159.11684	0.7
161.09631	0.3
161.13232	0.6
163.11134	0.2
165.06989	0.1
166.05055	0.2
169.10080	0.3
170.10910	0.5
171.08026	0.1
171.11639	1.1
172.12457	0.2
173.13239	0.4
175.11200	0.4
175.14812	0.6
177.11246	0.1
181.10149	0.4
182.10921	0.1
183.11658	0.5
185.09691	0.2
185.13257	0.9
186.13933	0.2
187.14745	0.2
189.12752	0.5
193.10098	0.2
195.11644	0.3
197.13274	0.2
199.11139	0.2
199.14832	0.3
201.12886	0.2
203.14259	0.9
205.08595	0.2
207.11690	0.3
209.09692	0.2
209.13232	0.5
211.11156	0.2
213.12698	0.3
213.16327	0.3
215.17935	0.1
218.39296	0.2
223.14752	0.7
225.12794	0.2
229.06171	0.7
229.12274	0.2
231.13737	0.2
237.16238	0.2
241.15901	0.4
243.13725	0.2
245.15573	0.2
249.12897	0.1
251.14299	0.4
259.16870	0.5
265.15906	0.4
269.15332	1.0
283.16907	0.6
287.16348	0.5
293.15271	0.3
301.17734	0.2
311.16476	0.7
317.61444	0.1
326.17523	0.2
329.17435	0.8
406.20151	0.2
434.19583	0.5
438.26065	0.1
452.20593	1.4
494.21512	0.5
503.25653	0.2
504.30005	0.1
512.22699	0.9
546.81500	0.2
575.23846	2.7
576.23840	0.3
617.24207	0.2
626.36639	0.2
635.25842	7.3
636.26288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.7
51.02370	1.4
61.85007	0.5
67.05491	0.8
69.42407	2.2
73.02906	1.5
73.06547	0.6
75.80084	0.5
78.03001	1.0
78.03451	20.0
78.94460	0.5
79.05485	0.7
80.05014	4.2
80.51660	0.5
81.03403	2.3
81.07059	0.9
87.04459	1.5
89.06020	5.6
91.05466	1.0
93.07021	1.1
94.06573	1.3
96.04478	8.3
98.23446	1.0
105.07012	1.4
106.02908	48.7
107.03265	0.6
110.06021	0.8
111.04495	0.7
111.06333	0.6
119.08572	2.1
124.03943	100.0
125.04271	1.9
125.53245	0.5
127.03879	1.0
129.32491	0.5
131.08528	1.2
131.65182	0.5
133.08563	2.1
133.10178	0.5
138.05490	16.2
139.05841	7.3
140.05974	1.7
142.07774	1.4
143.08583	2.1
145.10124	1.1
153.06885	0.5
155.08536	2.0
156.09300	1.4
157.10135	2.1
159.08051	0.7
159.11710	0.5
161.09596	0.6
165.07010	0.9
167.08623	0.7
169.10138	1.5
170.10876	6.0
171.11678	3.2
172.08755	0.6
173.09689	0.9
177.11208	2.1
179.08440	0.9
181.10085	2.2
183.11746	1.4
184.12508	0.8
185.09630	0.7
185.13229	7.1
193.10088	1.4
195.11684	1.8
196.12439	1.1
197.13199	0.8
199.11150	1.2
206.10815	0.5
207.11732	1.2
208.12485	1.2
209.13371	1.0
213.12767	1.9
214.13525	1.5
219.11772	0.7
223.14825	2.6
227.14383	0.7
229.06134	0.9
233.13138	0.8
234.13921	0.6
247.14796	1.3
251.10629	0.5
251.14229	1.2
265.15872	1.6
269.15289	2.8
283.16867	0.8
293.15286	3.1
308.16452	1.2
311.16391	6.2
311.19672	0.8
353.17453	1.4
416.18405	1.6
434.19873	2.5
452.20901	0.7
476.20538	0.9
494.21777	1.2
557.22852	5.7
570.37878	0.6
575.23096	0.6
576.21777	0.5
576.31738	0.5
599.23627	0.6
617.24860	9.1
618.25043	1.0
635.28662	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	635.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.7
51.02370	1.4
61.85007	0.5
67.05491	0.8
69.42407	2.2
73.02906	1.5
73.06547	0.6
75.80084	0.5
78.03001	1.0
78.03451	20.0
78.94460	0.5
79.05485	0.7
80.05014	4.2
80.51660	0.5
81.03403	2.3
81.07059	0.9
87.04459	1.5
89.06020	5.6
91.05466	1.0
93.07021	1.1
94.06573	1.3
96.04478	8.3
98.23446	1.0
105.07012	1.4
106.02908	48.7
107.03265	0.6
110.06021	0.8
111.04495	0.7
111.06333	0.6
119.08572	2.1
124.03943	100.0
125.04271	1.9
125.53245	0.5
127.03879	1.0
129.32491	0.5
131.08528	1.2
131.65182	0.5
133.08563	2.1
133.10178	0.5
138.05490	16.2
139.05841	7.3
140.05974	1.7
142.07774	1.4
143.08583	2.1
145.10124	1.1
153.06885	0.5
155.08536	2.0
156.09300	1.4
157.10135	2.1
159.08051	0.7
159.11710	0.5
161.09596	0.6
165.07010	0.9
167.08623	0.7
169.10138	1.5
170.10876	6.0
171.11678	3.2
172.08755	0.6
173.09689	0.9
177.11208	2.1
179.08440	0.9
181.10085	2.2
183.11746	1.4
184.12508	0.8
185.09630	0.7
185.13229	7.1
193.10088	1.4
195.11684	1.8
196.12439	1.1
197.13199	0.8
199.11150	1.2
206.10815	0.5
207.11732	1.2
208.12485	1.2
209.13371	1.0
213.12767	1.9
214.13525	1.5
219.11772	0.7
223.14825	2.6
227.14383	0.7
229.06134	0.9
233.13138	0.8
234.13921	0.6
247.14796	1.3
251.10629	0.5
251.14229	1.2
265.15872	1.6
269.15289	2.8
283.16867	0.8
293.15286	3.1
308.16452	1.2
311.16391	6.2
311.19672	0.8
353.17453	1.4
416.18405	1.6
434.19873	2.5
452.20901	0.7
476.20538	0.9
494.21777	1.2
557.22852	5.7
570.37878	0.6
575.23096	0.6
576.21777	0.5
576.31738	0.5
599.23627	0.6
617.24860	9.1
618.25043	1.0
635.28662	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	636.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41140	1.0
53.03937	3.3
55.01867	6.6
55.05509	5.6
56.05026	2.7
57.03426	1.8
58.99580	3.8
65.03941	1.8
66.59727	1.0
67.04257	1.2
67.05501	12.8
68.05015	3.2
68.14045	1.3
69.03427	21.4
69.07057	2.6
69.12801	7.4
70.02948	15.8
71.04992	1.8
73.01138	2.6
74.00668	8.7
74.02426	2.8
76.02213	2.4
76.03996	11.9
79.05486	10.9
80.05017	6.9
80.92077	1.3
81.03410	19.3
81.05779	2.4
81.07061	8.1
82.06566	3.4
83.04971	9.9
83.06109	7.1
84.04493	27.1
85.01107	1.6
85.02888	2.9
86.00637	3.5
86.06046	1.6
86.99033	1.1
88.02210	11.9
88.03967	2.7
91.05464	14.0
93.07047	9.6
94.06561	3.2
95.04958	9.4
95.08610	6.2
96.04485	1.8
97.01115	2.7
97.02882	1.9
97.06517	3.2
98.00678	1.7
99.04460	2.6
99.05572	6.5
100.02190	13.9
101.00590	2.0
102.03780	4.2
103.05472	1.9
105.04509	1.4
105.07018	19.5
105.38401	1.2
106.06542	3.3
107.04941	6.7
107.06055	1.9
107.08584	11.7
108.04440	2.0
108.08123	1.6
109.02863	1.8
109.06528	6.1
109.07619	3.2
109.10159	1.5
110.06050	4.1
111.04447	5.4
112.02168	12.4
112.07601	2.8
113.00564	2.5
113.06012	6.3
114.03752	30.2
115.02138	2.3
115.05451	4.7
116.01674	13.0
116.03457	3.2
117.07034	10.7
117.07752	1.9
118.06517	2.3
118.51658	1.1
119.04897	1.9
119.08572	20.5
120.08089	2.0
121.06492	6.6
121.10139	1.8
123.08076	2.4
124.02153	1.3
124.03954	1.7
125.07109	4.4
126.03748	6.2
126.98534	1.1
127.02149	1.7
127.05061	1.6
128.06210	4.5
129.06902	9.9
130.05002	12.5
130.07771	2.9
130.59172	1.4
131.04912	3.6
131.08560	15.1
132.05659	1.3
132.08055	1.7
133.06485	6.3
133.10121	12.0
135.05580	2.0
135.08038	4.5
135.11668	1.2
136.03932	2.1
136.07538	1.6
137.05956	4.0
137.06955	1.4
138.03714	5.1
138.09129	1.2
139.03264	2.2
140.01608	2.6
140.05286	10.0
141.03688	1.9
141.06995	4.9
142.03224	3.9
142.05003	2.0
142.07742	8.1
143.02689	1.1
143.08537	16.5
144.01108	2.4
144.09317	3.7
145.06061	55.9
145.10098	21.1
146.02681	1.8
146.07159	1.5
147.08015	7.8
147.11693	4.5
148.07591	3.3
149.09637	2.0
150.03680	2.7
152.05199	1.9
153.06606	6.0
154.03186	2.3
154.04947	3.0
154.07773	2.6
155.08519	13.1
156.09349	4.3
157.06456	3.0
157.10109	21.6
158.07262	3.5
159.08037	10.4
159.11650	12.9
160.08884	1.5
161.09636	10.3
161.13251	1.4
162.02315	1.8
163.11217	7.8
165.07019	5.6
166.07738	2.8
167.08575	8.2
168.09334	8.7
169.06146	5.4
169.10110	12.3
170.07416	1.2
171.07986	4.2
171.11684	6.7
172.08803	2.8
173.09592	16.8
173.13269	2.6
174.02281	2.6
174.10426	1.9
175.07574	1.5
175.11192	6.4
179.08508	8.2
180.06540	2.8
180.09343	3.1
181.06096	5.4
181.10114	10.6
182.10915	1.8
182.44312	1.2
183.07974	3.0
183.11676	18.2
184.08723	1.3
185.03876	7.5
185.09605	7.3
185.13275	3.4
187.05667	1.5
187.11166	19.5
188.05432	2.0
188.11761	1.6
189.03326	1.6
189.12679	2.1
190.10585	1.2
192.06595	5.9
192.09354	1.8
193.10136	7.3
194.10912	4.6
195.08002	2.8
195.11736	6.0
196.08789	2.7
197.09613	3.3
197.13280	4.9
199.05521	1.5
199.07127	5.3
199.11137	6.8
199.14835	2.7
201.12727	3.4
203.04916	4.6
203.08452	1.4
206.08081	5.1
207.11685	5.0
209.09552	2.5
209.13275	5.0
211.07124	4.5
211.11111	7.5
213.08852	6.0
213.12675	2.3
215.04836	1.5
215.08804	2.0
217.06374	12.0
217.09912	1.4
219.04515	1.3
219.11742	1.8
220.09700	3.6
221.13251	1.5
222.07544	1.6
222.10446	1.5
223.11256	2.7
225.12692	2.3
227.14330	2.6
229.06531	2.0
229.12215	4.5
231.04343	17.7
232.04913	1.3
237.12711	4.4
241.06320	2.0
243.08032	3.8
245.05789	2.3
251.14378	1.8
253.06418	1.3
254.15442	1.9
255.13852	11.0
256.11752	1.5
257.07681	18.8
257.10013	2.0
258.13083	3.3
273.05508	1.5
273.14825	56.6
274.10416	3.8
274.15381	2.1
282.13474	1.5
293.15317	2.2
307.11566	1.3
310.17825	1.2
311.16336	2.0
315.10086	1.4
326.15485	1.2
342.15295	1.3
344.16800	2.0
348.15750	1.8
350.15958	2.0
361.15753	6.7
362.17487	2.4
366.16937	4.2
368.16629	7.0
377.15137	1.2
379.16730	4.3
386.17642	11.2
397.20520	1.4
404.18921	8.1
405.05811	1.3
413.92813	1.2
415.52884	1.3
440.18768	1.4
453.18094	2.3
454.17078	1.2
469.21835	1.3
471.19296	32.5
471.35367	1.3
472.19266	2.4
479.20032	9.0
481.21426	1.7
484.17551	2.0
489.20490	100.0
490.20908	6.8
497.20966	19.0
498.21500	1.6
499.22107	1.7
507.20847	5.8
515.22034	9.4
525.20477	21.9
538.23663	1.3
543.21606	11.7
545.23529	1.2
554.22363	1.4
556.24316	3.7
561.22614	25.3
564.21985	1.3
572.24066	1.5
574.25714	19.9
575.53033	1.3
582.22516	7.4
600.23615	37.4
601.24103	2.8
618.24731	86.0
619.24902	8.6
636.25159	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	636.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56691	0.3
53.03937	0.3
55.01856	0.3
65.03934	2.2
67.05498	1.1
69.03446	1.4
70.96919	0.4
71.05006	0.3
81.02969	0.3
81.03423	4.8
85.02908	2.1
93.03394	2.6
95.04966	0.8
97.02876	2.3
99.04443	0.7
99.08076	0.3
105.04532	0.4
108.02086	1.2
109.02881	2.1
110.03644	0.5
111.04443	3.2
123.04460	0.3
125.06007	3.6
127.03922	1.8
127.11181	0.5
136.01567	0.3
141.05467	1.4
145.04951	0.4
145.12207	0.5
148.30737	0.3
151.03908	100.0
151.04968	6.2
152.04282	1.7
169.04964	14.8
169.06461	0.5
170.05249	0.3
177.05409	0.3
191.35301	0.3
259.30347	0.3
270.05353	1.3
285.07605	2.3
295.08139	7.0
313.09158	16.4
314.09567	0.6
379.65002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1385
Annotation	Acacetin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
52.35864	0.1
55.57566	0.1
64.97308	0.1
66.93781	0.1
68.99780	0.1
71.01347	0.2
71.42825	0.1
73.02901	0.3
85.02902	1.0
87.23353	0.2
95.01363	0.2
97.02895	0.1
98.56013	0.1
100.11249	0.2
103.05457	0.2
105.03372	0.5
113.02345	0.3
131.03419	0.2
131.04863	0.3
141.01816	0.7
147.04382	0.2
151.03876	0.5
158.22412	0.1
159.02809	0.2
168.00542	0.3
168.05696	0.3
171.04349	0.2
173.09438	0.1
179.04897	0.5
196.20549	0.1
224.04657	0.2
225.05553	0.1
234.35725	0.2
237.34741	0.2
241.05008	0.4
242.05743	0.6
254.05775	0.4
269.04419	0.7
270.05200	57.9
271.05600	1.6
284.03131	0.3
285.07541	100.0
286.07870	3.1
297.07443	0.2
461.10754	4.1
462.11023	0.2
563.57837	0.2
636.50531	0.6
637.14215	0.3
637.49872	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	637.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	2.2
69.50288	5.7
70.06596	13.1
70.06953	1.9
73.02922	2.3
74.97611	1.5
80.49897	1.3
91.05476	21.2
95.04980	2.0
103.05469	31.2
105.03394	3.4
112.08763	4.0
115.05475	3.9
118.06548	9.4
121.06570	3.2
131.04922	100.0
132.05301	3.3
137.52768	1.3
142.06485	1.7
151.17027	1.3
153.51146	1.3
158.02359	1.9
162.05577	1.6
169.01247	1.5
175.51204	1.3
176.06180	2.3
177.07048	4.9
178.07686	1.5
179.01698	1.3
179.08607	2.3
186.01884	6.2
187.07512	1.6
189.06998	3.8
192.02945	3.0
202.01492	1.4
204.24445	1.3
205.06424	6.8
207.08063	3.2
212.06987	1.9
214.01384	6.3
215.07033	7.6
216.03052	2.0
220.02364	5.1
221.68359	1.3
225.05591	2.9
230.04373	2.6
232.02443	15.0
232.06018	5.7
233.06001	13.2
238.01489	1.4
238.03288	6.8
241.02658	2.6
241.05037	4.2
242.00914	3.8
245.06018	3.3
246.09030	1.6
248.01997	3.7
250.03470	2.9
250.08542	3.3
251.07098	1.7
253.08772	1.9
256.02328	2.0
256.06052	22.5
259.03619	2.8
260.01898	81.1
260.07016	3.6
261.02371	2.2
261.05426	25.1
262.08774	2.2
267.03955	2.3
268.02411	3.4
274.03375	1.9
275.00467	1.4
277.04520	3.1
278.03021	13.4
278.08136	5.9
279.06400	8.7
280.02802	2.9
280.06058	10.3
284.01929	4.2
288.06525	3.6
289.04904	22.7
290.08163	3.0
292.04434	12.2
293.04468	3.5
293.89926	1.5
295.03461	3.1
296.01877	4.3
296.09268	2.9
302.02768	1.5
306.07574	7.9
307.06125	7.4
307.09122	1.9
308.01999	2.4
314.08224	2.1
316.05893	4.1
317.04443	3.6
318.07736	2.1
321.07553	24.4
322.07440	2.0
323.03021	4.7
324.01328	7.8
324.08685	9.3
326.02930	3.8
328.00848	3.2
333.99847	2.7
334.07089	55.5
335.07416	1.5
336.01242	2.0
336.12296	4.7
339.08920	3.3
342.02496	4.5
346.06592	1.6
349.07068	2.6
350.02570	1.8
351.02429	9.1
352.00974	20.8
352.08063	23.8
360.03232	1.8
360.12265	33.3
366.09692	81.6
367.10086	3.7
368.15015	2.7
369.03323	1.6
370.02032	7.0
379.02042	18.6
380.00583	3.0
384.12231	9.7
397.02829	8.3
410.06519	3.1
412.08023	6.7
428.07800	5.1
438.06021	5.9
444.10809	2.5
446.08646	6.1
455.08691	6.2
456.07089	23.2
474.08374	2.3
483.08212	20.4
484.06622	13.0
488.09763	46.2
489.09799	1.7
492.27557	1.7
498.08038	2.1
501.09293	19.6
502.07794	3.1
505.31021	2.0
506.10855	10.9
514.12341	1.8
515.10815	40.6
516.09180	25.4
519.10339	4.9
522.11865	1.7
533.04541	1.9
533.11920	25.2
542.12152	7.3
559.15039	1.7
560.13025	4.0
570.11444	5.3
574.14752	3.2
587.14288	4.3
588.12689	6.0
602.13995	4.1
605.15393	28.0
606.15332	1.9
619.16809	4.3
620.15546	13.9
637.18256	6.0
638.16260	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	637.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
63.42233	0.8
68.99780	3.2
69.65047	2.3
70.06597	1.9
79.01835	2.1
81.03404	2.1
91.05463	5.7
92.82387	0.8
95.04958	1.9
103.05458	23.5
105.03372	2.3
105.04556	0.9
105.07039	1.7
107.01305	4.0
110.44970	0.8
115.05441	10.9
124.03873	1.2
129.06990	1.5
131.04918	73.8
132.05247	2.3
135.00769	1.5
138.01839	2.1
142.06529	3.8
149.02283	1.6
153.01822	2.7
166.01370	1.0
168.02921	1.2
170.05994	3.7
176.06207	2.4
177.06961	5.1
178.07703	1.2
189.07016	2.6
194.21860	0.9
196.03833	0.9
198.09027	1.0
199.03896	5.7
200.03488	1.1
205.06471	5.8
208.02509	1.0
210.05351	1.0
212.03424	1.0
212.07053	4.2
213.05377	1.7
218.00879	1.3
224.07021	3.1
225.05446	5.9
228.02905	2.0
232.02406	2.2
233.05945	4.6
234.09108	1.4
238.04964	3.6
240.02882	2.1
241.04874	6.2
246.09143	2.0
252.06612	2.1
256.05960	4.6
261.05469	8.5
261.07953	1.5
262.06030	1.9
262.08646	3.6
263.07266	1.4
268.02463	6.9
272.06931	1.1
274.08566	3.0
276.06638	1.8
276.09930	1.0
278.07886	1.1
279.06503	9.7
280.06012	23.6
286.08765	1.2
288.06445	1.2
289.04858	6.8
290.08078	7.0
291.08658	1.0
296.01837	11.0
298.03586	1.3
298.07141	1.3
300.06509	1.1
302.08148	2.9
307.05936	2.8
308.01962	1.4
314.02835	2.2
314.08066	2.7
316.05945	1.0
316.09506	1.8
318.07587	7.1
321.00995	0.9
321.07498	3.0
322.07175	1.6
324.01376	18.8
328.06256	1.8
330.07422	1.4
342.02396	5.0
342.07352	2.4
344.09048	1.5
346.07120	2.0
349.07123	1.9
352.00894	3.7
358.06900	1.0
360.08670	2.1
366.13629	1.1
370.01880	1.5
372.08630	3.0
373.07962	1.0
374.06778	1.5
382.07117	1.3
384.07538	1.3
384.12289	22.6
400.08044	2.6
410.06406	3.6
412.08109	1.4
414.05933	1.1
426.13391	1.3
428.07556	17.9
429.08411	1.0
438.05890	1.6
446.03018	1.6
446.08661	20.0
447.08676	1.3
456.07101	28.4
474.07739	1.6
483.08365	1.9
484.06787	9.8
492.14236	1.5
501.09067	6.4
514.13184	1.0
516.09174	9.4
532.13855	3.6
537.16138	1.5
542.11914	2.1
560.13428	13.2
561.14368	1.2
570.11823	13.2
577.16034	2.6
578.14941	0.9
587.14349	2.6
588.12756	12.6
592.15320	3.4
602.13696	1.2
605.15466	100.0
606.15674	6.4
620.15424	43.1
620.25671	1.5
621.15637	2.9
637.17889	20.7
638.17761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.5
60.05649	7.0
68.05023	1.0
68.99796	1.1
70.06591	100.0
71.06898	0.9
72.05637	1.6
82.05335	0.5
83.06113	2.3
84.05640	2.0
91.05504	1.3
94.06567	0.8
95.05015	0.8
95.06096	1.2
98.07179	2.1
103.05455	3.4
105.03424	1.1
110.02411	0.6
112.08727	15.3
113.09028	0.6
121.06499	0.9
122.06019	0.8
131.04932	9.9
136.08707	1.1
137.05965	1.0
137.07138	0.6
138.01862	7.1
150.05550	0.7
153.01823	0.5
162.05576	0.7
163.03860	0.8
165.01883	2.5
166.01360	8.2
167.02115	0.9
168.02948	0.7
176.04703	0.5
177.05458	1.1
180.02969	1.0
183.02913	1.2
184.02480	1.4
190.01384	2.2
190.05020	1.6
191.03445	1.6
191.05789	1.6
197.00851	0.6
204.02925	1.8
205.04950	13.2
205.06761	0.7
206.04547	1.1
208.03510	0.9
208.06133	1.9
214.08607	0.6
215.04547	1.0
218.04449	3.8
219.05309	5.2
220.05971	0.7
225.05463	3.5
229.06085	1.1
230.04436	2.4
232.07274	0.7
235.07254	1.0
236.05548	1.0
237.00061	0.6
237.06349	1.8
242.08240	1.5
243.04070	1.6
243.76498	0.5
244.07217	0.5
247.07291	1.4
248.05634	0.7
249.09825	0.8
250.08392	0.7
259.08334	0.9
260.06635	3.0
261.05258	0.9
262.08633	0.5
264.09958	1.7
267.10822	3.0
270.07477	3.0
277.09390	2.0
279.06616	0.7
280.06284	1.2
289.04861	0.6
293.07953	0.5
308.10181	1.2
312.09763	0.8
320.09036	0.7
323.11465	3.3
324.01624	0.7
326.14075	0.7
334.10742	2.5
339.13086	0.5
351.13406	1.7
364.12997	1.1
368.16028	20.8
369.16437	0.8
381.15479	5.9
382.16315	6.6
384.12299	1.7
428.07938	0.9
456.07272	1.4
456.30740	0.6
532.14862	0.6
549.74963	0.6
560.13702	0.9
605.15637	4.9
620.15009	2.4
637.22906	67.8
638.23151	5.6
647.46228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79532	0.4
57.07072	1.7
59.04988	0.8
65.48493	0.4
67.05495	0.8
69.07082	0.4
71.04971	0.4
71.08626	4.0
72.08949	1.0
73.02910	1.2
73.06548	0.7
79.05480	1.0
81.07041	0.6
85.10167	1.8
86.10522	0.6
87.04469	4.8
89.05463	0.5
89.06019	11.5
90.06348	2.2
91.05466	1.6
93.07044	0.9
95.04974	0.9
95.08613	0.9
103.05448	1.0
103.07552	0.5
105.04503	0.4
105.07018	15.2
106.07362	1.1
107.04970	0.4
107.08593	0.5
109.10126	0.4
117.09148	0.5
119.08571	1.1
121.06464	2.0
122.06831	0.7
124.03921	1.8
127.01555	0.4
131.07056	0.9
131.08507	0.7
133.08586	6.1
133.10129	0.4
134.08934	2.1
135.08081	0.7
135.09065	0.8
147.08070	2.2
149.09587	0.4
149.13301	0.4
153.03188	0.4
155.63301	0.3
159.11668	0.3
163.11243	0.3
164.95589	0.3
165.09122	0.9
177.11250	2.4
178.11514	0.7
179.11667	0.5
221.10873	0.5
221.13715	0.6
225.12785	0.9
232.54333	0.3
247.20433	0.8
248.20929	0.8
265.21915	0.3
291.23245	1.1
292.23566	0.9
293.23767	1.0
329.19070	0.4
347.31796	0.3
374.15549	0.4
375.16061	0.5
387.16162	0.7
388.16830	0.9
389.17599	1.7
390.18378	0.5
391.19424	0.6
401.17740	1.5
402.18448	1.4
403.15012	0.4
403.19263	2.8
404.19891	1.3
405.20905	1.0
415.15021	0.8
415.19763	0.7
416.20413	0.7
417.16946	1.7
417.21878	2.0
418.21924	0.5
419.22299	3.1
420.22873	0.4
428.15863	0.4
429.16571	1.6
431.18179	3.6
432.19299	1.5
433.20242	0.9
435.18274	0.6
443.18881	0.6
444.19644	0.4
445.20105	4.8
446.21246	2.6
447.22580	2.4
448.18674	0.4
449.19623	1.2
457.16159	0.6
459.21930	0.9
460.22623	0.5
461.15253	2.2
462.16525	0.9
463.21597	3.6
464.21661	0.6
471.17386	0.5
473.19223	0.6
475.17728	2.0
476.18036	2.0
477.18549	1.6
489.18817	2.8
490.19882	9.0
491.20685	12.0
492.20859	0.6
503.20761	4.5
504.21347	1.6
505.26797	0.5
517.22302	2.5
518.22748	0.7
533.25458	7.1
535.20197	1.0
536.24207	0.5
545.21991	1.1
549.25562	1.9
562.22266	0.6
577.24365	27.0
578.24524	2.8
593.27496	1.3
605.24121	0.7
609.26648	0.5
619.25201	0.7
619.43304	0.5
637.26465	100.0
638.26727	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	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02358	0.7
66.41620	0.8
69.11514	3.7
69.11923	1.4
87.04317	2.1
89.05894	1.3
95.89845	0.8
105.06847	5.2
143.79497	0.8
146.50208	0.7
222.50702	0.7
259.12015	0.8
315.29718	0.8
362.15497	1.1
373.15384	1.0
374.16205	0.8
377.17548	1.4
378.18594	0.9
385.14175	1.7
386.15295	1.2
387.16086	2.0
388.17776	1.2
390.18845	0.8
391.19022	2.8
392.19888	2.3
393.20804	3.4
397.15085	1.0
398.16046	0.8
399.15988	4.2
400.16971	4.5
401.17773	6.2
402.18488	1.3
407.22296	4.8
412.17438	1.0
413.17749	6.4
414.18454	7.7
415.19376	12.6
416.19977	1.7
417.20975	1.5
421.20056	2.8
425.17194	1.0
427.18982	2.4
428.20496	3.8
429.15799	1.7
429.21359	11.7
430.21396	3.3
431.18228	1.0
433.16214	1.1
435.21710	3.0
439.19351	1.6
441.16956	2.4
442.17728	3.0
443.18378	6.1
443.22702	3.9
444.18451	5.9
445.20065	3.0
447.17783	1.3
455.18701	1.0
456.19281	2.8
457.20602	7.5
458.21136	6.0
459.17453	2.0
461.19818	1.0
470.16827	1.4
471.22369	7.4
472.23163	6.3
473.19669	5.7
474.20465	1.3
485.19495	3.3
486.20410	6.0
487.21167	3.6
488.21777	2.5
489.23135	1.4
491.20126	1.2
499.21252	12.6
500.21927	3.7
502.19830	1.8
503.24707	5.2
513.18768	1.7
514.19891	1.6
516.21887	1.6
517.22626	4.5
527.20599	1.7
528.21674	1.2
531.23932	12.2
543.23645	1.6
545.21576	1.3
559.23340	98.6
560.23468	7.1
587.22754	17.9
588.23395	2.0
605.23578	1.2
619.25476	100.0
620.25720	7.4
637.26587	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	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37189	0.3
57.06958	0.4
69.10335	2.9
77.32879	0.4
79.05408	0.6
87.04325	2.6
89.05891	1.8
103.05321	0.4
105.06872	8.5
115.91016	0.4
133.08485	0.7
153.94719	0.5
187.66408	0.5
195.08980	0.4
207.09113	0.5
221.10597	0.5
223.12167	0.4
268.20673	0.5
298.13165	0.5
350.12723	0.5
360.14853	0.6
373.15149	0.5
374.15997	0.7
375.16544	0.6
376.17249	1.0
377.17468	1.4
378.18677	0.9
385.14743	0.6
386.15302	1.4
387.16275	1.0
388.17554	0.9
389.18295	0.7
390.18527	0.7
391.19434	2.5
392.19925	1.5
393.20767	2.8
398.15649	0.9
399.16022	2.4
400.16815	4.7
401.17529	4.7
402.18594	0.9
403.19293	0.8
405.20728	1.2
406.21216	0.5
407.22385	3.1
412.16928	0.5
413.17874	3.2
414.18613	4.8
415.19370	8.9
416.19684	1.4
417.20615	1.5
419.18253	0.8
420.19324	0.6
421.20096	2.7
425.17578	1.4
427.14410	0.6
427.19089	1.9
428.20471	4.4
429.15836	1.5
429.21326	9.2
430.22073	3.3
431.18039	0.8
435.21915	2.1
436.22827	0.7
437.17667	0.5
439.19482	0.6
441.17105	1.8
442.17880	1.6
443.18201	4.0
443.22519	4.4
444.18488	5.7
445.20068	2.6
447.18018	1.6
455.18533	1.8
456.19424	2.3
457.20645	6.6
458.21112	6.3
459.17422	0.8
461.19641	0.7
462.20282	0.6
470.16638	0.8
471.22311	8.2
472.22983	6.6
473.19595	5.4
474.20584	2.0
475.21677	0.5
484.18997	0.9
485.19641	3.9
486.20425	7.5
487.21344	3.3
488.21921	1.4
489.22382	2.0
490.20038	1.3
499.21289	11.7
500.21710	3.6
501.22638	0.8
502.19821	0.9
503.24738	4.9
513.18872	2.0
514.19647	0.8
516.21710	2.0
517.22321	3.9
518.22394	0.5
527.20734	3.0
528.21344	1.1
531.23950	13.9
532.24109	0.7
540.41260	0.5
541.22754	0.9
543.23706	1.6
544.20862	0.7
545.21771	1.2
549.24640	0.9
559.23364	99.7
560.23645	5.9
577.24939	0.6
587.22888	16.6
588.23389	1.3
605.23914	1.0
619.25482	100.0
620.25702	8.0
637.26501	11.0
638.26984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03944	1.1
54.15523	0.1
55.05499	0.6
60.05635	0.2
60.39351	0.2
62.33343	0.1
67.05495	1.0
69.03429	2.5
69.07062	0.5
69.15364	0.9
71.01282	0.2
71.04982	0.3
78.03451	1.9
79.04239	0.2
79.05473	1.1
80.05013	3.0
81.03413	20.9
81.07052	2.2
82.03737	0.3
83.04977	0.4
85.02882	0.2
87.04456	0.3
89.06019	0.5
91.05470	2.2
93.07049	1.3
95.04959	0.6
95.08604	2.0
96.04491	2.9
97.02888	0.6
97.06523	0.2
99.04398	0.2
105.07020	4.1
106.02905	3.2
107.08578	1.9
109.02869	6.3
109.06499	0.4
109.10134	0.5
111.04436	0.3
111.08092	0.2
115.05444	0.2
117.06992	0.8
119.08566	4.5
121.04561	0.3
121.06492	0.4
121.10129	0.7
123.08077	0.3
123.75787	0.2
124.03944	100.0
125.04271	1.1
127.01585	0.5
127.03903	2.8
128.06224	0.5
129.06996	1.0
131.08571	1.9
133.08574	0.3
133.10129	2.7
135.08043	0.4
135.11690	0.2
141.06996	0.6
142.07793	1.4
143.05919	0.2
143.08553	2.0
145.10107	2.4
147.07993	0.5
147.11670	1.6
149.09651	0.1
153.03154	0.8
155.08565	0.7
156.09299	0.8
157.10110	3.8
158.10884	0.3
159.08058	0.2
159.11687	1.8
161.09601	0.5
161.13248	0.6
165.07091	0.4
167.08604	0.2
169.10098	0.8
170.10866	0.7
171.11670	1.5
172.12175	0.2
173.13271	1.5
174.55000	0.2
175.11224	0.9
175.14816	3.6
178.07748	0.2
179.08553	0.3
181.10138	0.4
183.11681	0.7
185.13242	2.2
187.11227	0.3
187.14810	2.5
189.12750	0.5
189.16360	0.8
191.08401	0.2
192.09409	0.2
193.10213	0.2
195.11649	0.4
197.05708	0.2
197.09608	0.2
197.13255	0.7
199.11227	0.2
199.14804	3.1
201.12685	0.4
203.14294	9.4
205.10130	0.3
205.15842	1.6
207.11736	0.4
209.09593	0.2
209.13263	0.3
211.11194	0.2
213.12799	0.4
215.14458	0.2
217.15868	2.9
221.13312	0.3
223.14784	0.3
225.12697	0.2
227.14343	0.6
233.13281	0.3
235.11177	0.3
238.07306	0.2
239.17772	0.2
245.15372	0.6
249.12885	0.2
250.07053	0.7
267.17438	0.5
271.13101	0.3
277.15924	0.4
295.16840	1.1
310.17798	0.2
313.17938	1.0
326.17328	0.2
328.19064	3.7
340.19104	0.7
368.18521	0.3
374.93271	0.2
429.68021	0.2
436.21075	0.6
441.93842	0.2
454.22278	2.1
466.10999	0.2
577.25293	0.7
630.88708	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	637.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.3
51.02374	0.6
53.03938	0.7
55.01867	0.4
55.05500	0.7
56.10431	0.2
57.03424	0.3
57.07064	0.3
65.03922	0.2
67.05504	1.6
68.89466	0.2
69.03424	1.2
69.07069	0.6
71.04979	0.8
71.43210	0.2
78.03449	7.4
79.04226	0.2
79.05489	1.5
80.05006	3.2
81.03415	4.4
81.07055	2.9
83.04974	1.4
83.08592	0.3
88.26094	0.2
91.05482	2.2
93.07035	2.2
95.04974	1.0
95.08601	2.2
96.04488	4.7
97.02859	0.3
97.06548	0.6
99.04446	2.9
104.99658	0.2
105.04487	0.3
105.07023	2.5
106.02908	16.9
107.03230	0.3
107.08597	1.6
108.04461	0.8
109.02879	0.9
109.06512	0.4
109.10123	0.5
111.04430	1.6
115.05435	0.4
117.07018	1.5
119.04935	0.2
119.06038	0.3
119.08575	3.4
120.04548	0.2
121.06481	0.6
121.10152	0.9
123.08003	0.2
124.03944	100.0
125.04298	1.9
126.04406	0.2
127.03902	0.8
128.06223	0.7
129.06995	1.2
130.07771	0.3
131.08574	2.2
133.10115	1.6
135.08025	0.3
135.11664	0.2
141.06961	0.9
142.07768	1.4
143.08554	2.4
144.09346	0.4
145.06494	0.3
145.10112	4.7
147.08052	0.5
147.11659	1.0
149.09604	0.3
153.06924	0.3
154.07736	0.3
155.08553	1.8
156.09373	1.2
157.10129	3.4
158.10783	0.4
159.08023	0.5
159.11685	3.1
161.09576	0.4
161.13206	0.5
165.06990	0.8
166.07799	0.4
167.08546	1.3
168.09344	0.6
169.10118	3.0
170.10921	0.9
171.08054	0.2
171.11670	2.1
172.12317	0.4
173.09651	0.6
173.13263	1.0
175.11230	0.3
175.14841	0.7
177.16318	0.3
178.07767	0.4
179.08511	1.1
180.09282	0.4
181.10075	1.7
182.10864	1.1
183.11658	2.8
184.12354	0.3
185.09622	0.6
185.13261	1.7
187.11201	0.4
187.14809	4.5
191.08485	0.3
192.09349	0.8
193.04971	0.2
193.10115	1.5
194.10869	0.4
195.08015	0.2
195.11705	1.7
196.12473	1.0
197.09607	0.8
197.13240	2.8
198.13991	0.5
199.11121	0.6
199.14790	1.4
201.12738	0.4
201.16344	0.8
203.08501	0.3
203.10579	0.2
203.14282	1.4
205.10188	0.9
205.15846	3.0
206.10918	0.8
207.11673	1.7
208.12460	0.6
209.09618	0.4
209.13255	1.1
211.11441	0.9
211.14803	3.9
213.12727	0.6
213.16344	0.4
215.14290	1.1
217.10086	0.3
217.15857	0.3
218.10999	0.2
219.11707	1.3
220.12465	0.7
221.09615	0.3
221.13266	1.1
222.10210	0.2
223.11264	0.3
223.14819	0.9
225.12778	0.9
225.16339	0.6
227.14293	0.5
229.15871	2.0
231.11697	0.3
232.06059	0.3
233.13257	0.6
234.07695	1.1
234.10367	0.2
234.14005	0.7
235.11243	0.4
235.14809	0.9
237.12735	0.4
237.16344	0.7
239.10667	0.2
239.14317	0.6
239.17932	1.0
241.15935	0.3
247.14748	0.3
249.16376	2.1
250.07108	4.0
251.14249	0.6
253.12260	0.4
253.15924	1.0
259.14780	0.3
262.13522	0.2
267.17383	2.8
269.15439	0.2
277.15875	2.3
283.17044	0.3
285.18515	0.7
295.16916	5.0
313.18002	1.2
326.17691	0.3
328.19028	4.0
328.22559	0.4
390.20624	0.4
400.18878	0.4
408.21829	0.3
418.20145	2.4
419.20306	0.3
431.65378	0.2
436.21173	4.0
454.22281	1.6
479.95911	0.2
541.23444	0.3
551.08459	0.2
559.24396	1.4
577.25037	0.5
637.27057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.1
56.59024	1.4
57.07082	1.5
58.99579	4.4
67.05497	3.3
69.03424	14.3
69.07066	1.9
78.03442	3.1
79.05492	4.3
80.05017	6.2
81.03416	4.1
81.07057	8.3
83.04967	10.6
85.02917	2.0
85.26910	1.3
86.00639	15.9
88.02216	9.4
88.03980	17.7
91.05488	7.9
93.07053	9.9
94.06547	2.4
95.04994	3.5
95.08590	6.8
96.04465	3.8
97.02887	4.3
105.07020	12.1
106.02913	5.1
106.06575	2.3
107.08589	7.3
109.10155	3.6
111.02641	1.7
111.04427	23.6
112.02167	1.5
113.06001	2.4
115.05460	1.5
115.91936	1.3
117.07024	6.0
119.04141	1.4
119.04957	4.4
119.08570	13.3
120.08109	2.0
121.10180	4.3
124.03939	100.0
125.04243	2.0
128.06236	2.3
129.07011	4.7
131.08556	12.2
132.01134	43.1
133.10139	7.9
134.02721	5.4
135.08014	2.2
137.04166	1.9
137.06018	2.0
139.04176	1.6
141.07031	1.9
142.07800	1.9
143.08592	5.9
144.09326	2.4
145.10104	19.7
147.04404	3.4
147.11647	3.5
149.04272	1.5
155.08553	5.4
156.09386	2.2
157.10097	10.7
158.02692	2.3
159.11682	17.8
161.13255	3.1
165.07118	2.1
167.08604	3.1
168.09491	1.8
169.10167	6.0
170.10892	3.8
171.11703	9.1
172.04233	1.9
172.12392	2.4
173.13213	2.5
175.03937	4.3
175.14911	3.1
179.08604	3.5
180.09413	2.6
181.04788	1.5
181.10126	6.7
183.11668	6.9
184.04344	3.8
185.09731	1.8
185.13228	9.1
187.14796	57.5
191.08539	1.8
193.10170	3.3
195.11726	5.7
196.12379	2.7
197.13341	4.4
205.10179	2.2
207.06549	6.9
207.11749	4.5
209.13298	4.9
211.14787	11.3
213.16426	3.1
217.10432	2.8
219.11940	5.1
220.12512	2.6
221.13422	3.4
223.14742	2.5
225.16321	2.6
233.13132	2.0
235.14709	9.3
236.15471	2.0
237.16403	4.2
245.04163	1.7
245.06245	8.5
246.14017	1.9
249.16373	1.9
251.17982	3.3
253.15875	2.6
261.16351	2.1
267.12054	2.2
269.19016	2.0
279.17407	11.3
289.05273	44.3
297.18521	22.6
304.13873	1.4
306.15363	1.7
308.16769	13.8
313.16446	2.1
313.20343	3.2
329.15799	2.2
371.18219	2.1
400.19342	14.1
410.23160	3.8
418.20450	54.8
436.21564	11.8
470.19830	3.5
479.23578	2.4
481.27048	6.0
490.22397	3.6
497.24747	10.2
523.22729	5.5
541.23621	20.6
559.24713	7.6
577.25610	2.6
601.25671	17.6
602.24640	3.1
619.26520	14.5
637.24567	59.5
638.24268	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	638.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.7
57.41340	0.7
63.69564	0.6
65.03939	0.6
70.95422	0.6
75.68573	0.7
79.05485	1.8
80.05013	0.8
91.05476	1.9
93.07060	2.0
94.06570	2.3
101.13531	0.7
103.05436	1.6
105.07006	0.9
107.07355	0.8
108.08121	4.1
112.42941	0.7
118.06512	0.8
119.07396	0.9
120.04472	2.9
120.08102	14.8
122.06032	8.3
122.09664	2.1
124.03885	0.7
124.07587	0.7
132.08134	1.2
136.07559	8.1
138.09096	1.0
146.06013	3.5
148.07562	26.8
150.05507	0.8
150.09189	2.6
152.07063	1.9
160.01094	0.7
160.07657	1.2
162.09218	0.7
164.07089	2.4
164.10870	0.7
166.08679	2.2
172.03944	0.9
174.05577	0.9
176.10710	1.4
180.10231	1.9
186.09096	1.0
190.04941	1.5
194.08124	1.1
194.09711	0.9
197.10771	1.2
204.06635	0.7
208.09682	1.1
209.10762	1.8
210.11464	0.7
211.12363	1.2
212.09433	1.7
213.10309	1.0
221.10683	0.8
223.08740	2.1
223.12320	1.4
224.09474	2.2
225.10229	4.7
226.11052	1.4
227.11824	2.8
233.10710	2.3
235.08701	2.3
235.12402	1.5
236.09460	2.6
237.10204	13.9
238.10931	3.5
239.08223	2.7
239.11749	5.4
241.09782	2.0
247.12308	0.9
248.09473	2.8
249.10237	8.7
250.10957	5.3
251.08214	4.7
251.11800	10.9
252.08827	2.7
252.12515	1.7
253.09708	6.9
253.12225	0.7
253.13503	0.9
254.10413	0.7
255.11298	6.7
258.07593	0.7
261.10211	5.9
262.10968	2.9
263.08105	1.1
263.08835	1.2
263.11789	10.1
264.08908	1.2
265.09744	13.1
265.12875	0.9
266.10461	3.6
267.11340	8.5
268.12033	0.9
269.12894	0.8
271.10840	2.3
276.09055	1.6
277.09818	4.0
278.10474	5.5
279.07730	4.1
279.11331	17.7
279.14117	1.2
280.11957	3.9
281.09280	2.8
281.12683	3.4
282.10071	0.9
283.10742	10.0
283.13806	1.0
284.11417	1.0
285.12338	1.3
289.09668	12.7
289.12665	1.2
290.10516	2.4
291.11240	9.1
293.09259	2.9
293.12875	4.9
294.09964	6.3
295.10834	7.7
295.14093	1.3
296.11465	4.9
297.08984	1.0
297.12424	2.0
299.10352	2.4
305.09396	1.2
305.12933	0.9
306.09863	1.4
307.10770	5.1
308.11465	1.7
309.09067	1.0
309.12231	3.9
310.13013	1.2
311.10318	12.7
311.13947	3.7
312.11053	4.1
313.11942	1.0
314.12573	1.7
316.14597	0.9
317.09232	3.0
319.11032	0.8
321.08713	1.0
321.12363	1.5
323.10455	1.4
323.13925	3.6
323.99445	1.2
324.11041	4.2
325.11798	3.3
326.12640	5.1
327.13477	8.4
327.98987	1.0
329.15155	1.0
330.16138	1.2
332.02200	0.7
333.12354	1.2
333.16537	0.8
335.10220	18.8
336.10764	0.7
337.11746	1.4
339.09860	2.2
339.13370	62.6
340.10284	4.3
340.13879	3.4
342.00613	1.1
342.16144	1.1
346.00220	1.1
349.11887	1.9
351.13351	3.1
352.10623	2.0
353.11310	1.5
354.12103	8.7
354.16193	1.0
355.12860	16.3
355.16879	1.4
355.98422	5.8
357.03055	1.4
358.15469	1.0
360.01550	12.2
366.12119	1.0
367.12866	39.6
368.13519	2.6
369.13879	0.8
373.99417	7.2
375.03815	14.0
378.02576	4.3
381.14664	0.8
382.15723	1.3
390.18497	0.9
393.04822	2.5
395.12366	1.0
399.15353	1.0
414.18234	1.2
416.16052	0.9
442.17709	2.0
446.21149	0.9
458.20477	1.1
459.17758	1.1
460.18344	1.1
470.17242	4.1
474.20416	3.6
486.20297	3.6
488.17953	1.2
493.22495	0.9
502.19830	4.7
512.18256	1.2
520.20807	6.1
521.21411	2.3
530.19257	11.2
534.22083	4.2
556.32465	0.7
562.21851	37.5
563.22205	3.0
574.18219	17.1
575.18604	1.5
578.21411	3.7
588.19586	1.8
594.24048	1.0
606.20789	100.0
607.11646	1.1
607.21112	9.3
638.22650	1.5
639.08228	5.6
657.09393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03939	1.6
55.01856	0.9
55.05494	0.8
57.03407	0.5
65.03920	0.5
65.75751	0.4
67.05482	1.7
69.03426	4.3
69.46971	1.1
71.01335	0.4
71.04985	2.1
77.03925	0.4
78.03448	6.2
79.05476	2.7
80.05014	2.0
81.02956	0.7
81.03415	10.4
81.07036	1.9
83.04980	2.1
87.04448	0.9
89.06002	0.5
91.05467	5.9
93.07050	2.3
95.04984	2.0
95.08587	1.8
96.04478	2.5
96.98409	0.4
97.02908	0.8
97.06492	0.8
98.22688	0.5
99.04452	5.6
103.05438	0.4
105.07037	5.3
106.02912	17.5
107.08622	2.1
109.02872	4.0
109.06504	1.1
109.10159	0.6
111.04447	2.7
115.05476	1.1
117.07015	4.9
119.04933	0.7
119.08571	4.8
121.06520	1.0
121.10155	0.8
123.08063	0.5
124.03944	100.0
125.04269	0.8
125.05991	0.5
127.03900	2.3
128.06203	1.4
129.06990	3.0
130.07787	0.6
131.08560	9.6
132.08826	0.4
133.06465	1.4
133.10115	1.5
135.08034	1.1
141.07001	1.5
142.07796	1.9
143.08543	3.9
144.07242	0.5
144.09242	0.4
145.06499	0.6
145.10104	7.1
146.17763	0.4
147.07997	1.4
149.13197	0.5
153.06987	1.2
154.07701	0.6
155.07298	0.5
155.08537	2.8
156.09268	2.0
157.10110	3.4
158.10844	1.2
159.08028	0.9
159.11703	2.4
161.09628	1.4
161.13290	0.9
163.07558	0.8
163.11137	0.5
163.14851	0.5
165.06998	1.0
166.05016	0.5
166.07722	0.5
167.08539	1.4
168.09338	1.4
169.06461	0.4
169.10112	2.3
171.11678	4.2
173.09555	1.9
173.13249	16.5
175.11174	0.4
178.07831	0.6
179.08549	1.4
180.09155	0.6
181.08664	0.8
181.09985	1.9
183.08022	0.8
183.11650	3.4
184.12476	0.5
185.09531	0.7
185.13254	1.3
187.11162	0.9
189.12729	5.9
191.08885	0.5
191.10699	2.6
191.14418	0.9
192.09329	0.8
193.10136	1.8
194.10802	0.7
195.11671	1.8
197.09741	0.7
197.13141	0.9
199.11201	1.0
201.12730	5.0
203.08571	0.4
205.10141	1.0
206.10898	1.1
207.11656	1.9
209.09436	0.5
209.13307	0.9
211.11247	1.2
213.12750	0.8
217.10202	0.4
217.12190	0.8
219.11743	0.7
219.13756	8.4
220.12393	0.6
221.09654	0.4
221.13298	1.5
223.11101	0.8
225.12819	0.5
230.11000	1.0
233.13208	0.5
234.07657	1.7
235.14824	1.4
237.12816	1.1
240.87219	0.5
248.12054	0.8
249.14880	0.8
250.07097	17.2
251.07440	0.8
251.14212	0.4
253.15823	0.8
263.14297	1.8
281.15363	1.6
291.13821	0.6
299.16415	0.9
309.14890	1.3
327.15952	2.7
345.16888	1.0
402.16959	0.7
403.15417	0.4
403.54971	0.5
404.18460	2.4
422.19653	2.1
432.18130	2.7
450.19000	4.6
458.29651	0.5
462.18457	2.3
468.20197	7.7
486.21307	1.4
510.21368	3.7
528.22272	30.6
529.22791	1.6
550.20422	7.6
568.64423	0.4
638.25690	19.0
639.25836	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	638.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05497	1.7
62.28925	0.5
63.06720	0.5
67.05496	1.1
69.03432	1.5
69.07066	6.4
70.06580	2.2
72.08127	0.7
78.43665	0.5
79.05479	1.5
81.03415	1.9
81.07048	1.9
83.08617	1.0
83.42882	0.5
84.08103	0.5
85.02890	4.0
85.06528	2.0
86.06046	0.7
86.09721	1.1
86.92336	0.4
87.00811	1.4
91.05463	2.1
93.07030	0.7
95.04967	1.4
95.08603	2.4
97.02904	1.4
105.01844	1.8
105.04477	0.6
105.07020	6.1
107.04948	60.1
107.08578	2.1
108.05256	0.8
109.02843	1.9
109.06544	0.5
109.10137	1.0
113.11562	0.5
117.06979	0.7
119.08573	23.4
121.02814	0.5
121.10130	2.0
127.03911	2.8
131.08543	0.8
132.33047	0.5
133.10117	20.2
135.11642	0.8
145.05031	0.7
145.08597	2.4
145.10075	0.9
147.11691	3.5
159.28772	0.5
160.12498	1.2
173.13185	0.8
175.14807	100.0
176.15125	2.9
177.16402	0.8
181.04865	0.5
191.09108	0.9
193.15916	3.1
231.05002	0.6
275.32233	0.6
287.05432	1.9
359.19379	0.6
387.61478	0.5
639.23462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05497	1.7
62.28925	0.5
63.06720	0.5
67.05496	1.1
69.03432	1.5
69.07066	6.4
70.06580	2.2
72.08127	0.7
78.43665	0.5
79.05479	1.5
81.03415	1.9
81.07048	1.9
83.08617	1.0
83.42882	0.5
84.08103	0.5
85.02890	4.0
85.06528	2.0
86.06046	0.7
86.09721	1.1
86.92336	0.4
87.00811	1.4
91.05463	2.1
93.07030	0.7
95.04967	1.4
95.08603	2.4
97.02904	1.4
105.01844	1.8
105.04477	0.6
105.07020	6.1
107.04948	60.1
107.08578	2.1
108.05256	0.8
109.02843	1.9
109.06544	0.5
109.10137	1.0
113.11562	0.5
117.06979	0.7
119.08573	23.4
121.02814	0.5
121.10130	2.0
127.03911	2.8
131.08543	0.8
132.33047	0.5
133.10117	20.2
135.11642	0.8
145.05031	0.7
145.08597	2.4
145.10075	0.9
147.11691	3.5
159.28772	0.5
160.12498	1.2
173.13185	0.8
175.14807	100.0
176.15125	2.9
177.16402	0.8
181.04865	0.5
191.09108	0.9
193.15916	3.1
231.05002	0.6
275.32233	0.6
287.05432	1.9
359.19379	0.6
387.61478	0.5
639.23462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05502	3.3
57.07071	0.6
57.38096	0.3
61.02931	0.3
67.05490	2.0
69.03423	1.5
69.07063	7.6
69.15635	2.3
70.06570	0.5
71.04988	1.0
77.03934	0.4
79.05475	1.1
81.03429	1.0
81.07043	3.9
83.04973	0.6
83.08617	1.8
84.73248	0.3
85.02898	3.0
86.09689	0.5
87.00816	0.3
91.05462	4.3
91.52985	0.3
93.07045	2.0
95.08598	7.4
97.02882	1.1
99.04443	0.4
100.61713	0.3
103.05463	0.5
104.06274	0.3
105.07017	10.7
107.08581	6.2
109.10143	4.0
117.07028	2.2
119.08568	45.8
120.08871	0.6
121.10123	2.0
127.03907	1.2
131.08524	1.2
133.10115	27.7
134.10515	0.5
135.11673	1.6
137.09601	1.5
145.04942	1.1
145.10110	2.1
146.10895	0.4
146.41621	0.3
147.04404	0.5
147.11649	4.9
148.22983	0.4
151.14824	0.8
160.12440	1.2
170.72758	0.4
173.13246	0.8
175.03899	0.3
175.14799	100.0
176.15109	3.2
177.16330	0.4
192.25490	0.3
193.15862	12.7
194.16267	0.5
207.06523	1.3
215.09158	0.6
233.10132	0.4
249.14780	0.4
414.45801	0.4
512.79468	0.4
551.06189	0.3
638.19348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1193
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
60.73309	0.1
65.03905	0.2
66.55857	0.1
68.99758	0.2
69.35235	0.4
70.06551	0.2
73.02869	0.3
79.42018	0.1
85.02889	0.6
87.00758	0.1
87.04410	0.1
91.05475	0.4
91.05928	0.1
95.01320	0.4
97.02852	0.1
103.03937	0.1
109.02802	0.1
113.02321	0.3
119.04933	2.9
121.02863	1.4
123.00755	0.8
137.05908	0.2
141.01775	0.5
145.02838	0.4
147.04420	0.1
148.09538	0.1
157.06354	0.1
159.02852	0.1
169.01309	3.2
187.02332	0.1
189.05455	0.2
213.05396	0.3
217.04871	0.2
231.06517	0.1
241.04958	0.5
245.04398	0.3
259.05954	0.3
269.04352	0.3
285.03873	0.1
286.04785	0.3
287.05457	100.0
288.02628	0.2
288.05814	3.2
307.76199	0.1
309.92282	0.1
372.27448	0.1
405.05978	0.1
463.08652	5.7
464.09058	0.3
536.63287	0.1
639.11835	6.0
640.11871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1191
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03429	0.2
69.03416	0.2
69.22375	0.9
70.06588	0.3
71.01347	0.7
71.04979	0.2
73.02908	0.7
76.17540	0.1
76.75548	0.1
83.01337	0.1
83.04962	0.2
85.02904	1.8
89.06052	0.2
91.04955	0.2
91.05479	2.9
97.02893	0.2
98.23376	0.3
101.02397	0.2
103.03963	0.2
104.10774	0.2
111.04476	0.3
113.02375	0.7
117.03390	0.1
118.57760	0.1
119.04950	1.6
121.02893	0.4
125.87431	0.2
131.03397	0.5
131.04900	0.3
133.02826	0.4
141.01814	0.4
145.02832	0.2
151.03908	0.5
159.02876	0.3
169.01326	19.5
170.01677	0.2
175.03889	0.3
177.05487	0.2
202.88124	0.2
241.04858	0.3
245.04517	0.3
251.69580	0.2
257.04684	0.2
259.06009	0.4
269.04617	0.2
270.34528	0.2
272.01083	0.2
280.02798	0.2
286.04678	0.5
287.05490	100.0
288.05853	3.0
297.04034	1.1
301.07196	0.3
311.05652	0.2
325.10666	0.3
329.06400	0.3
445.07349	0.2
463.08704	24.5
464.09103	1.1
638.28137	0.3
639.11609	2.0
639.27167	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	639.1709
Annotation	Rugulotrosin A
Peak:m/z	Relative Intensity
58.95963	0.3
65.03928	1.1
67.01865	0.4
69.03413	1.0
70.09438	0.4
70.09760	0.6
81.03408	3.6
85.02900	0.9
91.05473	13.8
91.22326	0.3
95.04910	0.3
97.02891	0.5
99.04425	0.5
103.05470	0.4
109.02868	1.0
117.03357	0.4
119.04939	21.4
121.02908	1.6
127.03974	0.5
129.04370	0.3
132.02051	0.9
135.04408	0.4
136.05154	0.4
138.05479	0.7
145.02823	1.2
147.04395	17.1
148.04715	0.4
148.54707	0.3
149.02324	0.9
153.01791	4.5
153.03026	0.4
157.03938	2.2
162.03030	0.4
163.03864	0.5
164.04672	0.5
175.03891	33.2
176.04263	1.0
177.05458	1.2
179.06929	1.6
192.04131	0.6
196.47328	0.3
207.06506	69.0
208.06831	2.0
214.17973	0.6
225.07616	0.6
247.06032	0.5
271.05981	100.0
272.06372	2.8
286.04712	2.9
287.05338	0.4
301.06973	4.2
351.10672	5.2
364.32941	0.4
369.11694	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	639.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47674	0.1
53.03935	0.2
59.32175	0.1
63.36253	0.1
65.03937	0.2
68.99783	0.2
69.03420	0.6
69.86391	0.2
69.86765	0.3
79.05486	0.2
81.03412	0.6
85.02893	0.3
91.05472	2.9
95.01316	0.6
95.04964	0.3
97.02866	0.2
98.05551	0.1
100.76850	0.2
103.05446	1.7
105.03381	1.0
107.04963	0.1
109.02856	0.3
114.80186	0.2
117.03340	0.2
118.78297	0.2
119.04932	4.7
123.00788	5.3
124.01144	0.1
127.03941	0.2
129.03334	0.1
131.04906	0.6
132.02090	0.3
141.01820	0.7
141.06937	0.3
144.64926	0.1
145.06573	0.1
147.04391	3.8
149.02341	0.3
151.00208	0.3
151.03831	0.2
153.01773	0.3
157.03926	0.4
167.07065	0.1
169.01317	1.7
169.06500	0.3
175.03889	7.1
176.04408	0.2
179.07036	0.4
191.07065	0.8
197.06038	0.3
207.06503	16.8
208.06815	0.5
225.05533	1.2
225.07547	0.3
229.04918	0.4
253.04929	3.4
271.05972	100.0
272.06329	3.6
273.49564	0.2
287.09052	0.2
351.10742	1.3
369.11972	0.6
490.07440	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	639.1915
Annotation	Scutellarein 7,4'-dimethyl ether 6-sophoroside
Peak:m/z	Relative Intensity
53.03955	0.2
55.01852	0.2
56.87568	0.1
57.03418	0.4
61.02908	0.4
64.76423	0.1
69.03421	1.3
69.50697	0.3
69.51109	0.2
71.04975	0.2
73.02914	0.2
81.03412	0.6
85.02898	2.8
86.59452	0.1
87.04462	0.3
90.67423	0.1
91.03925	0.2
91.05485	0.3
97.02876	1.1
99.04424	0.2
99.90728	0.1
107.05000	0.1
109.02859	0.3
109.28850	0.1
110.77168	0.1
117.03342	0.3
118.04143	1.2
119.04935	0.2
121.02856	0.4
126.65585	0.1
127.03906	0.6
135.04385	0.2
136.01518	0.6
145.02885	0.6
145.04912	0.5
149.19855	0.1
152.01018	0.6
153.01833	0.4
154.02567	0.3
163.03893	1.1
165.01868	0.2
170.02077	0.1
177.05464	1.1
181.01328	0.4
182.02083	0.8
183.98692	0.1
187.69475	0.1
197.04439	1.7
197.06175	0.2
198.01535	0.5
198.06772	0.1
225.05421	0.2
226.06247	0.2
236.04755	0.2
242.05608	0.2
246.89484	0.1
253.04909	1.2
254.05710	4.0
255.06360	0.1
257.04364	0.2
260.21503	0.1
264.04260	0.2
269.04425	0.6
270.05206	0.5
271.05981	9.4
272.06323	0.3
281.04425	0.7
282.05194	4.7
283.05942	1.9
284.06625	0.1
285.03989	0.5
286.04657	0.5
299.05472	8.3
300.06241	13.3
301.06613	0.4
315.08575	100.0
316.08948	3.0
325.06906	0.2
351.56912	0.1
477.13885	7.5
478.14084	0.3
489.81238	0.1
644.76471	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59288	0.6
68.99779	0.6
69.03419	1.8
70.06611	0.8
71.04997	0.9
72.80975	0.5
75.28803	0.5
81.03413	1.4
82.07905	0.5
85.02898	3.9
91.05460	0.7
97.02898	1.7
100.07628	1.4
106.29971	0.6
109.02858	0.7
118.04198	1.1
119.04883	1.0
121.02872	1.2
127.03919	0.9
131.04959	0.9
140.01073	1.2
145.04993	0.8
147.04480	0.6
151.03896	2.0
152.01042	1.1
153.01842	1.0
163.03902	2.8
163.91803	0.6
168.00543	4.7
169.01315	1.0
177.05470	2.1
181.01361	0.6
182.02103	1.5
183.02917	1.4
186.01575	3.8
197.04483	2.0
241.04985	1.0
253.04950	1.2
254.05667	3.4
258.05246	1.2
259.46878	0.6
268.03552	1.0
269.04367	1.5
270.05142	0.7
271.06021	7.4
273.07788	1.0
281.04587	0.9
282.05258	4.1
283.06036	2.0
285.03903	1.0
286.04697	36.4
287.05173	2.9
299.05493	8.6
300.06314	11.5
301.07056	90.6
302.07370	3.5
315.08603	100.0
316.08932	3.1
375.03992	0.8
377.02444	0.7
477.09735	3.7
477.14337	3.4
639.32983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
68.99793	3.0
69.15125	5.9
69.15531	2.9
70.06595	2.7
82.02941	13.5
86.06078	3.2
88.05950	1.2
91.05500	3.4
95.04969	2.3
103.05453	29.8
103.06100	2.0
105.03388	2.1
113.71024	1.5
114.05521	10.7
130.09770	2.5
131.04916	81.3
132.05307	2.6
135.78481	1.5
138.01874	8.7
145.80441	1.3
148.03928	2.5
149.02342	1.9
152.03415	1.4
153.01828	3.4
154.08676	1.8
156.04425	1.5
160.03926	2.0
162.05542	1.4
166.01334	10.1
166.99829	3.4
167.02124	10.9
168.02898	10.2
169.01279	2.4
172.03914	1.7
173.06053	1.8
178.01361	5.6
179.03375	2.4
180.02919	1.5
184.02466	3.0
184.03929	2.2
185.03317	2.7
188.03459	2.1
190.04945	2.5
192.02921	3.6
196.02472	2.0
199.03870	1.9
200.03511	2.1
202.01353	2.4
204.02910	2.5
205.03716	2.1
206.04588	2.1
212.03415	7.0
212.06958	1.7
215.04633	3.0
216.02991	5.7
218.00934	2.3
218.04460	1.8
220.02397	6.6
224.03427	1.7
225.05428	3.3
226.01410	1.7
228.02913	3.4
230.04504	8.1
240.02924	11.6
241.05014	3.5
242.04575	3.2
242.08374	2.0
243.04002	3.7
244.02403	8.7
246.09209	1.7
252.02995	3.4
254.00867	3.9
255.06534	2.8
257.08017	2.6
258.03952	27.9
258.09412	1.6
262.03424	2.7
262.08600	1.5
264.03186	1.4
268.02435	26.3
270.04269	2.1
270.07690	7.5
271.08411	5.5
272.01892	8.1
272.09155	5.2
274.08646	4.1
280.02490	5.7
280.06149	3.3
282.07727	3.1
284.01953	2.7
286.03467	5.1
286.08615	3.6
288.01437	3.3
289.04572	3.9
292.02393	2.6
292.05765	1.6
296.02020	2.5
298.03494	2.4
302.02856	2.0
302.08069	6.2
306.02478	4.1
308.01791	7.6
310.03384	3.1
314.08102	2.2
321.99698	2.4
322.06836	1.7
326.02972	1.8
328.09668	1.9
336.01346	42.9
336.08453	1.7
338.03088	5.5
339.02527	2.2
340.00522	2.0
342.07721	2.0
353.04263	3.7
354.02408	14.4
356.09143	3.3
362.10208	38.0
363.02612	2.3
364.00797	8.7
372.03992	2.2
372.08591	14.5
381.03525	5.0
382.02023	2.9
384.08539	8.6
384.12772	2.1
390.09631	4.1
392.07831	2.1
398.06567	2.0
400.08203	2.1
407.12100	2.1
410.08679	2.6
412.08151	14.2
414.09830	4.0
421.07874	2.2
422.08698	2.6
430.09225	3.0
440.07623	56.9
441.08249	3.2
442.09271	5.4
443.08609	2.6
457.10275	11.5
458.08652	42.8
467.08786	2.9
468.07056	22.5
476.09750	34.1
484.10123	2.0
485.09772	20.3
486.08429	5.3
488.14996	1.8
499.11774	3.8
503.10742	10.8
504.09860	3.5
516.14465	20.3
521.11810	24.5
524.13452	7.9
525.14050	7.3
526.14661	1.9
535.13849	2.9
544.13898	88.5
545.14429	4.6
561.16791	8.3
562.14972	25.7
572.13416	7.5
576.16351	2.3
589.16046	32.2
590.14282	8.7
604.16193	2.7
607.17029	42.7
608.17236	2.6
621.18695	48.2
622.18408	5.7
639.19666	100.0
640.18518	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	639.1969
Annotation	Glycobismine-D
Peak:m/z	Relative Intensity
53.00315	2.8
55.01894	2.1
55.12849	1.7
70.05305	2.9
70.05662	4.3
82.02936	14.4
86.06065	4.4
91.05479	2.6
95.04981	2.6
98.38689	1.9
103.05465	21.0
105.03393	2.0
114.05527	17.1
120.04434	2.0
131.04919	52.2
138.01883	2.1
148.03963	4.4
153.01848	3.6
166.01413	4.7
166.99796	4.1
167.02126	3.7
168.02927	14.8
169.01381	2.4
172.04036	2.5
174.05524	2.3
178.01375	4.8
184.04036	2.4
192.02722	1.9
196.03949	2.3
202.01421	5.2
202.04965	2.1
204.02995	3.7
205.03635	2.6
212.03448	6.6
213.05478	2.6
214.05009	1.7
216.02876	5.3
220.02428	8.2
230.04408	9.6
240.02896	10.5
242.04716	4.5
244.02425	10.2
254.00983	2.1
257.08167	3.0
258.03952	49.2
262.03528	3.3
268.02417	17.5
270.07587	4.0
272.01801	3.7
272.09189	8.1
280.02451	4.5
282.07645	6.2
286.03485	5.4
296.02133	2.4
302.03061	3.0
302.08179	4.6
306.07434	2.7
308.01865	7.7
310.03461	2.7
326.02771	4.6
334.10620	2.6
336.01337	41.0
338.02957	3.3
352.03854	2.5
353.04044	3.3
354.02393	22.8
362.10220	61.5
364.00757	4.5
372.04025	3.4
372.08554	7.7
381.03479	2.6
384.08609	4.1
388.07999	2.2
390.09555	4.2
407.12335	7.8
412.08002	7.9
430.09286	4.0
432.11078	2.4
440.07617	39.5
442.09161	2.6
457.10114	6.2
458.08667	100.0
459.08954	3.5
468.07300	10.8
476.09808	51.4
484.10202	4.6
485.09869	18.6
486.08591	7.2
503.10822	44.0
516.14471	9.3
521.11926	55.0
526.14771	2.8
544.13898	65.3
545.14136	2.7
561.16260	4.1
562.15002	40.3
572.13324	7.4
589.15753	21.7
590.15057	13.8
607.17041	16.6
621.18323	8.2
622.17426	3.0
639.19843	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	639.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
61.62428	0.6
68.99780	2.6
69.51831	3.3
76.07594	0.7
80.19209	0.9
91.05483	3.5
95.04936	1.0
103.05463	25.5
105.03391	1.3
105.07027	1.4
106.64009	0.8
114.05542	0.8
115.05447	13.3
117.07026	1.0
121.02842	1.7
124.03896	0.8
128.06157	1.6
129.07016	4.6
131.04919	100.0
132.05243	2.6
141.06934	1.4
142.06540	6.5
144.96069	0.7
147.00786	3.0
149.66455	0.7
154.08667	1.5
155.04886	2.5
155.06085	1.4
156.08080	2.8
157.06456	1.8
164.03447	1.4
165.01816	4.3
166.01424	1.0
167.04936	0.8
168.02956	1.8
170.05969	5.4
179.03333	0.8
179.08531	1.1
182.09682	0.7
184.07608	2.0
185.35864	0.7
186.09183	4.2
188.03416	0.8
190.01273	1.1
191.08575	1.0
192.02917	3.8
196.07550	1.8
198.09167	4.7
199.03882	5.5
207.08138	1.5
208.02350	1.4
210.09097	1.7
212.07051	53.6
213.05435	2.3
213.07387	1.0
218.00821	3.5
219.08217	0.8
222.09099	1.4
224.06900	1.9
230.08084	3.0
232.07512	0.9
234.09074	0.8
236.07173	1.1
238.04926	6.5
238.08545	0.9
241.04910	8.3
252.06511	2.7
254.08122	4.0
256.05917	1.1
259.06152	1.6
262.08731	1.4
264.10126	1.6
274.08676	1.5
274.12195	1.0
276.10229	2.1
278.08063	2.1
280.06030	37.8
282.04166	0.9
290.08176	1.0
292.06232	0.8
292.09613	1.4
294.07623	1.2
296.09158	5.0
298.03891	1.1
298.06946	4.2
302.08017	2.3
306.07520	1.1
308.01709	1.1
310.03302	1.3
319.10678	2.0
322.07071	21.6
322.10861	1.2
323.07285	0.9
326.02914	1.7
330.07663	1.8
336.08646	1.5
338.02924	2.0
339.02481	0.9
342.11398	1.2
347.10544	0.8
348.08731	0.9
353.04233	0.7
354.02576	0.7
356.09326	0.8
362.06323	0.9
365.50934	0.7
366.11600	1.1
373.63562	0.8
384.12286	48.0
385.12759	1.5
388.08173	1.4
400.15347	3.1
402.09851	0.9
412.08102	1.1
414.09494	1.3
420.10553	0.7
426.13333	60.9
427.13666	2.8
430.09082	2.4
440.07684	1.9
442.09293	1.7
443.08820	1.8
444.06934	0.9
457.10483	1.5
458.08633	3.1
468.07321	1.9
475.11185	0.9
476.09589	1.8
485.09644	1.7
486.08435	1.8
490.11206	0.9
492.38239	0.7
502.12686	0.9
503.10815	1.7
517.12091	1.4
518.10773	7.2
519.15454	2.4
521.11444	0.9
534.14941	0.9
535.12427	1.0
544.14008	2.4
546.15283	0.8
547.15021	1.2
561.16364	3.0
562.14832	2.3
572.13147	2.9
579.17041	1.8
580.16394	1.4
589.15753	1.7
590.14227	8.3
594.17413	2.2
607.16254	4.2
621.18823	5.5
622.17084	30.2
623.17407	1.6
639.19598	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	639.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.4
55.01881	1.2
68.99797	2.0
69.60957	4.8
69.61313	2.1
82.02938	15.9
86.06071	2.4
91.05480	2.3
103.05463	17.4
105.03389	1.6
114.05530	18.0
120.04478	1.9
129.09665	1.1
131.04927	48.3
134.06062	1.3
138.01848	2.3
148.03926	4.5
151.00249	1.6
153.01820	3.4
156.04462	1.3
166.01314	2.6
166.99727	4.8
167.02098	3.8
168.02951	12.4
169.01360	3.2
172.03932	2.0
173.05943	1.6
176.03401	1.6
177.04152	1.2
178.01421	7.6
179.03409	1.8
184.03995	1.3
184.07469	1.3
188.03419	2.5
192.03001	2.7
200.03477	1.7
202.01379	6.7
204.02910	3.3
205.03682	3.5
211.75790	1.0
212.03442	6.3
213.05429	2.1
216.02916	7.8
218.04466	2.4
220.02393	6.1
225.05431	2.4
228.02940	2.3
230.04466	12.9
230.06537	1.8
231.06546	2.0
234.04065	3.5
240.02902	12.8
242.04512	3.8
244.02446	10.8
252.02872	1.7
254.00975	2.0
254.04266	1.8
257.08105	3.5
258.03973	55.3
262.03506	1.9
264.02951	2.0
268.02411	19.0
270.03903	1.9
270.07526	2.5
272.01852	4.2
272.09152	8.3
274.03592	1.3
276.04935	2.3
280.02399	4.5
282.04276	1.5
282.07645	4.4
284.01767	2.7
286.03464	5.6
292.02426	1.4
296.02106	2.5
298.03262	1.6
302.03128	1.6
302.08087	2.3
306.07669	1.3
308.01791	5.0
309.10077	1.8
310.03427	3.5
312.01358	1.7
318.89087	1.2
324.05167	2.4
326.02957	5.2
330.02335	1.7
330.07602	2.4
336.01373	39.1
338.02798	4.4
339.02734	1.9
344.09137	1.9
348.08566	2.0
353.04199	2.9
354.02457	21.6
362.10211	62.1
363.10483	3.6
364.00800	3.8
372.03403	4.8
372.08618	6.1
380.04004	1.5
381.03317	4.2
382.01581	1.5
384.08469	2.2
388.08115	3.2
390.09683	3.5
407.12128	7.3
412.08154	7.5
414.09741	3.7
428.11200	3.4
430.09210	2.1
432.10989	1.5
440.07632	41.2
441.07541	2.1
442.09143	4.1
456.10825	1.8
457.10318	5.5
458.08698	100.0
459.08823	5.8
463.53195	1.3
468.07339	11.7
476.09702	58.0
477.10025	3.5
484.10132	6.8
485.09793	24.9
486.08261	8.6
488.14551	1.7
503.10852	42.7
504.09903	4.9
516.14374	6.5
518.10834	1.6
521.11877	56.2
522.11963	3.3
526.14526	2.0
544.13898	75.6
545.14288	5.6
561.16418	4.3
562.14917	42.8
563.15271	2.2
572.13318	8.4
589.15930	27.4
590.14471	16.5
607.17035	15.9
621.19244	2.4
622.16876	2.2
639.19659	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	639.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13032	2.7
69.13432	7.6
79.89281	1.4
91.05457	7.8
96.98072	1.4
98.22680	2.5
103.05466	20.5
105.03394	2.8
111.34003	1.4
115.05437	16.0
121.06477	1.4
131.04918	57.7
132.05298	2.0
138.01857	3.0
142.06523	7.9
154.08640	10.9
155.06049	1.6
166.01387	1.5
167.02180	2.5
168.02927	2.5
170.06007	5.1
172.09763	2.0
179.08627	2.3
184.07549	1.7
189.06906	9.4
191.08595	3.5
196.03818	2.0
197.06032	1.7
199.03979	1.4
204.03014	2.5
206.04491	2.6
207.08014	1.8
212.07043	6.8
216.08142	4.1
217.06494	16.7
218.00917	2.6
219.08099	3.9
222.04118	1.6
224.03558	1.6
224.07051	2.1
235.07477	3.2
238.05048	6.1
241.04953	1.9
242.04620	1.7
244.02478	1.9
244.07515	4.0
245.05945	4.5
246.09088	2.4
247.07518	3.1
252.02922	5.8
252.06595	4.0
256.05920	2.5
256.11841	2.3
262.08633	3.4
263.07022	6.3
270.03986	5.1
272.06812	6.8
273.05356	11.1
274.08701	4.8
276.10037	2.1
280.02420	28.2
280.06052	35.8
282.04153	2.2
290.08105	18.0
297.05215	3.6
298.03561	18.7
298.06931	3.5
302.03165	1.9
302.08026	3.8
307.03534	2.5
308.01901	7.8
312.01309	1.9
316.04361	2.2
318.07599	2.8
319.10599	3.7
322.07037	4.1
325.04486	7.8
326.02960	5.5
335.02966	10.5
336.01294	25.1
340.04697	1.9
347.09909	1.8
353.04019	32.5
353.08304	1.6
354.02451	5.2
364.08173	1.9
371.05063	4.2
384.12427	39.0
402.09723	8.6
409.74359	1.7
412.08096	4.0
426.13470	2.8
430.09155	16.9
438.68735	1.6
439.09283	28.4
440.07559	39.5
441.08057	2.5
444.10681	3.1
457.04001	2.1
457.10263	31.2
458.08838	6.4
468.07608	1.8
485.09607	5.6
500.09793	2.8
518.10956	6.8
534.15588	2.8
543.15411	4.5
544.13989	9.4
561.16565	53.6
562.15839	7.1
579.17346	10.6
589.15961	44.6
589.25366	1.0
590.15259	3.5
593.18964	10.0
604.15900	10.0
607.16742	4.8
621.18610	100.0
622.17310	31.6
639.23370	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	639.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99785	2.7
69.74957	4.6
70.06590	2.2
79.05503	1.8
82.02924	1.6
84.04505	2.4
91.05485	1.7
95.04996	3.0
98.22771	2.1
103.05460	39.2
105.03407	1.7
105.04481	2.3
105.07037	2.8
110.06069	2.0
112.03960	2.9
114.05520	4.3
115.05439	3.2
117.07003	2.2
121.10145	1.4
131.04926	100.0
132.05251	2.4
133.06445	1.7
138.01895	2.1
140.03465	1.5
143.10892	1.6
147.04395	2.9
157.80959	1.4
161.06012	1.8
166.01396	1.5
167.02173	3.3
167.07100	3.1
168.02916	8.5
176.03400	1.8
178.01366	7.6
180.02971	1.5
184.02603	1.7
188.03561	1.5
190.05034	3.2
191.07060	4.1
192.02873	3.6
193.08582	11.3
199.03886	2.4
202.01398	2.0
204.02921	3.4
206.04433	1.8
208.02475	2.1
216.02914	4.9
218.04520	2.9
219.08012	1.8
220.02509	2.4
224.01973	4.6
228.03090	1.9
230.04431	2.7
232.06004	2.1
240.02829	2.0
241.04893	1.6
242.04175	1.5
244.02448	5.6
256.02542	3.2
258.03992	2.0
264.06757	1.6
264.09839	1.7
268.02716	1.7
270.07581	3.4
271.08344	2.8
272.01880	3.1
272.09232	6.0
280.02341	2.5
280.05945	2.9
282.07599	5.1
284.01953	4.5
286.03366	4.1
296.08936	1.8
298.03525	1.8
302.08084	2.5
308.01917	2.9
308.08990	2.3
310.03519	2.3
312.01361	2.8
321.07773	2.3
326.02835	5.1
335.02792	1.7
336.01285	9.5
336.08688	2.9
336.12390	1.8
348.08557	4.3
354.02414	8.8
363.02490	2.4
363.82413	1.7
364.00830	2.7
376.08105	2.7
382.01865	3.5
388.08188	6.1
393.10666	2.3
412.07910	2.1
414.04504	2.0
414.09756	3.2
416.07526	3.7
420.07086	5.7
430.09305	5.4
431.07489	4.3
432.11166	2.7
440.07584	11.3
458.08548	10.0
459.10474	1.6
463.13797	1.9
467.08893	3.4
468.07034	3.3
475.11163	3.9
476.09592	4.0
477.12607	2.2
479.10587	5.8
485.09781	4.4
486.08307	4.6
503.10977	9.7
506.12051	1.5
521.12213	2.8
524.13507	1.8
535.05743	2.8
535.13489	42.0
544.13934	23.0
561.16589	3.7
562.14948	56.9
563.14960	2.7
572.13263	10.1
589.16064	18.8
590.14893	11.8
604.14319	1.6
607.17120	15.4
639.19501	20.1
640.19989	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	639.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	2.1
69.44012	5.8
82.02946	5.8
84.04501	2.4
86.06103	1.8
91.05482	3.2
95.04980	2.8
103.05462	39.1
104.07079	1.1
110.02406	1.7
112.03914	2.5
114.05536	6.6
115.05482	1.7
117.07010	1.7
131.04921	100.0
132.05299	2.4
138.01822	2.0
155.04846	1.4
167.02122	3.0
168.02905	5.9
178.01369	6.2
179.03404	1.8
188.03418	1.9
189.01797	1.5
192.02931	1.9
199.03853	1.7
202.05003	1.4
204.02950	3.0
212.03506	1.8
216.02939	5.0
218.04532	1.8
220.02449	1.8
221.05991	1.6
224.01833	4.4
228.03064	2.3
232.02344	2.4
240.02928	3.4
241.05003	4.0
243.03955	2.0
244.02357	8.6
246.03972	2.9
252.02815	1.4
254.00911	2.2
256.02383	4.2
258.04044	3.7
261.05194	1.7
266.00797	1.4
268.02444	2.0
270.04053	2.2
270.07474	3.1
271.08331	2.3
272.01971	3.4
272.09195	4.9
274.08743	1.4
280.02414	3.7
282.04587	1.6
282.07581	7.3
284.01831	4.0
286.03452	1.7
290.02795	1.7
292.02390	2.5
295.03604	2.5
296.01837	2.7
298.03424	1.9
302.08105	3.0
308.01987	3.1
308.09048	2.5
310.03351	4.3
312.01447	3.2
316.01105	1.6
316.09662	2.0
320.09079	1.3
326.02930	3.8
328.04529	1.5
335.02820	2.8
336.01270	15.7
336.08517	3.5
338.02994	2.4
342.07706	1.5
344.09274	1.6
348.08560	5.3
353.04025	2.0
354.02548	8.5
356.09222	1.4
360.74457	1.3
362.10153	1.8
363.02499	5.0
364.00797	5.9
365.11243	1.4
370.07065	3.0
372.08588	2.0
376.08173	3.7
381.03601	1.5
382.01849	3.2
384.08453	2.1
388.08051	8.9
393.10583	3.4
398.06650	1.5
412.08115	3.0
414.09796	6.6
416.07361	2.9
420.07175	5.9
430.09143	4.8
431.10300	1.3
440.07669	18.3
457.10248	5.5
458.08694	11.0
459.11679	1.4
467.08832	8.9
468.06937	7.7
476.09814	2.1
477.12686	2.2
479.10947	9.5
485.09714	12.7
486.08130	6.7
503.10739	11.7
507.13104	2.4
521.12262	1.3
524.13226	2.6
535.13062	7.0
544.13916	39.8
545.14313	2.8
546.15393	1.8
561.16577	2.8
562.14972	50.6
563.15198	3.4
571.14545	5.0
572.13434	17.2
589.07397	2.3
589.16028	30.8
590.14746	9.5
607.17041	14.7
639.20178	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	639.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27069	0.9
53.68974	0.8
57.64306	1.2
60.50392	0.9
64.06007	1.0
69.03432	3.2
69.10040	0.9
69.71539	2.5
70.06583	1.1
71.04987	5.1
72.08151	1.3
79.05482	1.8
81.03413	4.0
83.04982	1.2
85.02890	8.2
89.03899	10.7
91.05491	3.2
94.09184	0.9
95.04981	1.7
97.02885	1.9
99.04456	1.1
100.07609	1.1
103.05453	1.5
107.04945	2.7
109.02827	1.4
111.04428	1.2
115.47228	1.0
117.03369	20.6
119.04882	1.7
123.04449	1.5
125.09589	1.7
127.03883	2.0
129.06985	1.1
131.04955	1.7
133.06427	1.2
134.03578	1.6
135.04416	15.1
137.05975	6.4
145.02834	50.0
146.03154	1.6
147.04434	1.4
149.05981	6.0
151.03917	2.1
151.07555	3.2
162.03139	1.2
163.03891	100.0
164.04211	2.3
165.05426	1.0
167.00867	1.0
175.07437	2.3
177.05452	83.3
178.05792	2.2
179.07085	5.1
181.04997	3.8
181.06404	1.0
191.07127	1.1
193.08638	1.4
195.06577	1.4
199.07463	1.4
205.08620	1.2
221.08035	1.8
238.61557	1.1
245.08084	1.2
259.09506	1.3
275.06915	1.0
277.10739	1.8
287.09064	1.3
309.09805	1.6
309.82013	1.0
315.08743	4.8
321.09738	1.9
323.11212	2.0
325.09097	5.2
339.10797	4.4
561.22131	1.5
574.38458	1.1
640.33521	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	639.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48232	0.4
57.03442	2.3
69.03423	2.3
69.53925	0.8
69.54303	1.1
70.06583	0.9
71.04631	0.8
71.04990	9.8
72.08150	0.8
73.02902	0.5
77.50690	0.4
79.05477	0.7
79.17517	0.4
81.03407	1.9
83.04970	1.2
85.02898	11.3
89.03909	4.0
89.67467	0.4
91.05495	0.5
93.07041	0.4
95.04920	0.5
97.02873	3.1
98.09705	0.5
99.04436	0.6
99.86990	0.5
100.07619	2.8
107.04958	1.4
109.02853	0.7
110.09666	0.6
117.03377	5.5
119.04902	0.6
120.08040	0.4
121.06466	0.5
127.03916	0.6
127.55318	0.4
129.05464	3.1
131.04897	0.7
131.08624	0.5
133.06549	0.5
135.04410	10.5
137.05969	0.8
145.02824	9.4
145.03928	0.6
147.04439	0.5
147.06497	1.2
151.03906	2.7
151.07550	1.1
163.03891	100.0
164.04176	2.1
169.05008	0.6
177.05522	0.6
179.36462	0.5
181.04947	2.7
181.08607	0.8
193.08641	0.8
196.16998	1.3
201.82709	0.5
235.09590	0.9
241.04935	0.5
254.05716	0.9
259.09711	0.6
261.11234	0.7
269.04340	0.5
271.06009	2.2
277.10901	0.6
282.05182	1.1
283.05847	0.5
286.04581	0.7
287.05527	1.0
288.05667	0.5
291.08545	0.9
292.18085	0.4
299.05344	2.3
300.06265	3.0
301.06982	0.7
307.08029	1.1
309.09604	1.5
315.08597	22.2
316.08923	1.0
325.09164	12.1
332.56027	0.4
457.14511	0.5
477.13696	1.8
640.34180	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	639.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48232	0.4
57.03442	2.3
69.03423	2.3
69.53925	0.8
69.54303	1.1
70.06583	0.9
71.04631	0.8
71.04990	9.8
72.08150	0.8
73.02902	0.5
77.50690	0.4
79.05477	0.7
79.17517	0.4
81.03407	1.9
83.04970	1.2
85.02898	11.3
89.03909	4.0
89.67467	0.4
91.05495	0.5
93.07041	0.4
95.04920	0.5
97.02873	3.1
98.09705	0.5
99.04436	0.6
99.86990	0.5
100.07619	2.8
107.04958	1.4
109.02853	0.7
110.09666	0.6
117.03377	5.5
119.04902	0.6
120.08040	0.4
121.06466	0.5
127.03916	0.6
127.55318	0.4
129.05464	3.1
131.04897	0.7
131.08624	0.5
133.06549	0.5
135.04410	10.5
137.05969	0.8
145.02824	9.4
145.03928	0.6
147.04439	0.5
147.06497	1.2
151.03906	2.7
151.07550	1.1
163.03891	100.0
164.04176	2.1
169.05008	0.6
177.05522	0.6
179.36462	0.5
181.04947	2.7
181.08607	0.8
193.08641	0.8
196.16998	1.3
201.82709	0.5
235.09590	0.9
241.04935	0.5
254.05716	0.9
259.09711	0.6
261.11234	0.7
269.04340	0.5
271.06009	2.2
277.10901	0.6
282.05182	1.1
283.05847	0.5
286.04581	0.7
287.05527	1.0
288.05667	0.5
291.08545	0.9
292.18085	0.4
299.05344	2.3
300.06265	3.0
301.06982	0.7
307.08029	1.1
309.09604	1.5
315.08597	22.2
316.08923	1.0
325.09164	12.1
332.56027	0.4
457.14511	0.5
477.13696	1.8
640.34180	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	639.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78131	0.4
67.05486	3.1
68.90716	0.5
68.99804	1.0
69.24252	2.8
79.05482	0.8
91.05489	1.8
94.06550	0.8
95.04951	2.2
96.08147	0.4
103.05457	7.0
103.06094	0.5
106.06543	4.8
108.08124	0.6
108.37543	0.4
111.51504	0.5
112.03952	0.5
115.05445	9.0
122.06023	5.2
122.06738	0.6
124.07646	1.0
126.09190	0.8
129.07050	0.9
131.04918	29.6
132.05251	0.7
134.06064	0.5
136.07581	5.0
137.67929	0.4
141.06972	3.5
142.06529	3.3
147.86801	0.4
149.02362	1.7
150.02748	0.6
150.09181	0.7
152.07080	3.3
153.07050	0.4
154.08617	52.3
155.04927	1.4
155.08978	0.6
156.08179	0.5
162.05472	0.7
164.07045	0.8
166.08708	0.5
168.08118	0.7
168.10223	1.7
168.49042	0.4
169.06512	1.4
170.05978	3.8
172.09686	7.1
173.06129	0.5
178.08623	4.7
179.29411	0.4
180.06575	2.3
180.08000	0.6
181.37157	0.4
184.07642	0.9
186.09216	1.0
190.01375	0.8
192.02937	1.2
193.04948	1.1
194.08228	1.5
196.07607	1.0
196.09567	0.8
197.05977	4.0
197.17038	0.5
198.09219	0.5
199.03896	1.9
200.06926	0.4
206.08105	9.0
212.07097	5.7
212.09213	1.9
212.60503	0.4
213.05460	0.6
218.00832	6.5
224.07048	2.6
228.10185	0.8
230.08076	0.5
238.04967	4.0
238.10721	2.3
241.04831	2.5
246.00339	0.8
252.06516	2.5
254.08145	1.9
256.06128	0.8
256.11783	14.2
256.14413	0.7
258.07730	1.9
272.09152	5.3
280.06021	25.7
296.09302	1.5
298.07037	2.0
308.12955	1.6
322.07034	6.2
324.08838	0.5
342.11081	0.6
350.06461	2.0
364.08145	2.5
366.11603	0.6
368.15106	0.8
384.12265	23.0
385.12796	1.5
426.13504	2.4
468.14590	1.0
521.11279	0.5
535.17139	2.4
536.17102	0.5
622.15967	2.1
639.23315	100.0
640.23676	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	639.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
53.69113	0.6
57.41837	0.5
58.04204	1.2
58.45247	0.5
59.04992	1.0
62.57726	0.6
67.05507	1.6
71.27508	0.7
73.01926	0.6
73.02909	3.0
73.06535	1.1
77.03928	0.8
79.05486	4.0
81.07056	0.9
83.04962	0.6
83.29478	0.5
87.04469	5.3
89.06021	16.5
90.06383	1.7
91.05488	2.5
93.07054	1.6
95.04964	3.7
95.08601	1.5
97.02896	0.6
97.06519	0.6
103.05453	3.4
103.07578	0.7
104.05835	0.7
105.03388	9.3
105.04523	1.4
105.07021	63.2
106.07356	12.2
107.08596	1.0
109.10174	0.8
111.04288	0.7
113.48937	0.5
117.07040	0.6
117.09110	0.7
119.08550	3.1
121.06490	2.1
124.08046	0.6
127.01574	1.1
129.06990	0.6
131.07051	0.7
131.08591	2.5
133.08604	8.3
133.10201	0.8
134.08942	1.7
145.10109	1.2
147.08044	1.7
149.09503	0.7
153.03139	1.2
157.10155	1.2
159.11752	2.0
169.10179	1.2
171.11700	1.0
173.09517	0.7
173.13321	0.6
177.11226	2.9
181.10152	0.6
183.11687	1.1
187.11267	0.8
194.10683	0.7
194.17801	0.6
197.05811	0.7
197.13312	1.6
207.11845	0.7
217.27168	0.6
221.13710	1.3
225.12816	1.8
226.13199	0.7
251.14442	1.8
252.14798	0.7
293.15207	1.2
320.69165	0.7
321.14700	2.2
329.18860	1.1
330.19281	0.9
335.16260	0.8
337.14059	0.7
341.54727	0.6
353.17252	1.4
392.96802	0.6
395.18307	3.3
457.19901	0.9
517.21973	62.7
518.22626	3.8
525.99475	0.6
569.55975	0.6
627.20355	0.6
639.25562	100.0
639.40588	8.9
640.25879	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	639.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01875	2.7
55.05505	2.3
56.05029	2.7
56.39862	1.0
57.07514	0.8
58.99585	1.8
60.04525	1.5
61.01142	1.6
65.03916	1.5
66.27431	0.8
67.05507	5.0
68.05027	2.3
69.03426	10.1
69.07075	2.6
70.02949	2.0
70.06595	3.1
71.04978	2.0
71.25780	0.8
72.08165	1.6
73.02914	1.2
74.00658	1.9
79.05486	3.7
80.05030	2.6
81.03413	5.7
81.07059	5.2
82.06586	2.2
83.05003	5.2
83.05428	0.8
83.06098	1.5
83.08633	1.0
84.04499	26.6
85.01135	1.0
85.02888	5.0
86.00665	1.5
86.06100	1.2
87.02699	1.5
87.04466	1.5
88.02213	8.7
88.03990	17.5
89.00612	2.3
91.05470	6.9
93.07028	6.8
94.06565	2.1
95.04964	4.2
95.08611	4.3
97.02897	3.3
98.06058	1.8
100.02216	2.6
101.00605	1.5
102.05486	1.4
103.05434	1.0
105.07025	7.6
106.06552	1.5
107.04950	2.7
107.06068	1.2
107.08583	5.1
108.04489	1.7
108.08119	2.1
109.02860	1.0
109.06516	3.1
109.10114	1.4
110.06042	2.9
111.04453	1.3
112.02173	4.0
112.07629	1.6
113.00584	1.5
113.06019	1.3
114.03754	2.7
115.02152	3.9
115.05470	1.5
116.01657	6.4
116.03408	1.2
117.00063	1.2
117.07021	4.0
119.04929	1.8
119.08575	6.9
120.08120	2.1
121.02858	6.3
121.06519	4.0
121.10139	5.3
124.03896	1.1
125.07117	3.9
126.05534	2.2
127.03920	2.5
128.06213	1.8
128.07079	1.3
129.06989	3.7
130.03236	1.2
130.04985	11.6
131.04947	1.5
131.08557	6.3
132.01164	1.5
133.06493	2.8
133.08496	1.2
133.10097	5.8
134.02690	2.2
135.08073	2.0
136.07620	0.9
137.06007	4.6
141.06956	2.2
142.03271	1.1
142.07755	3.8
143.08562	6.2
145.05016	1.2
145.06439	4.0
145.10133	8.4
146.02716	1.8
147.04390	2.1
147.08055	3.9
147.11768	1.5
148.07541	1.4
149.09593	1.4
151.07550	1.3
153.06981	1.9
154.03177	1.2
154.05008	5.0
154.07774	1.7
155.08536	4.0
156.06557	2.5
156.09340	1.3
157.10104	8.6
158.02725	3.1
159.06844	1.0
159.08055	3.4
159.11621	4.9
160.04230	1.9
161.09631	4.7
161.13370	1.0
162.02203	2.8
163.11172	2.0
165.06992	2.3
166.07768	1.6
167.07190	1.4
167.08588	3.8
168.09315	3.0
169.06389	1.2
169.10072	4.7
171.07651	16.4
171.11690	3.3
173.09605	8.2
173.13264	1.6
175.03891	2.5
175.11214	1.7
177.16373	7.2
179.08563	2.8
180.06569	2.1
180.09251	1.5
181.10056	5.2
183.08047	1.5
183.11679	6.3
185.09637	2.7
186.05933	1.8
187.04305	1.7
187.07536	1.4
187.11154	7.7
188.03757	1.7
189.09163	2.0
192.06607	2.4
192.09421	1.3
193.10075	2.9
194.08115	1.3
195.11671	1.5
197.09633	2.3
197.13423	1.1
199.11217	3.7
200.05499	2.4
201.12796	1.7
206.04657	1.0
206.08127	1.9
207.06519	3.3
207.11737	2.9
209.13223	3.5
211.11183	2.6
213.12663	1.9
217.08180	15.2
217.10092	1.1
219.02832	1.4
220.09752	1.8
225.12666	1.8
227.14314	1.4
229.12248	1.1
231.08018	1.4
237.12688	2.1
255.13788	5.6
272.16544	1.2
273.14862	12.3
274.15125	1.1
287.05508	11.2
311.16226	1.2
323.05624	1.0
331.15314	1.2
366.17349	1.3
368.16708	1.9
383.15112	1.7
386.17813	3.1
404.18811	1.5
405.05914	2.5
414.17432	4.6
427.15518	2.3
432.18320	21.5
450.19467	10.8
463.08194	1.3
492.20685	1.1
497.21106	1.7
499.22202	1.2
515.22260	2.2
517.23383	4.6
525.20306	5.2
543.21570	24.9
544.21924	1.9
561.22601	100.0
562.22949	8.5
579.23706	12.7
621.24384	2.7
626.56281	0.9
639.21375	1.2
639.31647	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	639.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95685	1.0
53.03945	1.5
55.01866	1.2
56.05043	2.2
58.99563	1.7
60.04514	1.1
67.05489	3.8
68.05011	1.3
69.03422	7.1
69.43800	4.4
70.02948	1.0
74.00648	2.6
79.05487	3.7
80.05025	1.1
81.03431	5.0
81.07041	2.9
82.06575	2.5
83.04963	3.0
84.04495	22.7
85.01115	1.0
85.02924	1.3
85.06559	0.9
88.02203	7.1
88.03992	17.0
89.00627	1.5
89.06011	1.3
91.05479	6.0
93.07041	3.9
94.06559	1.0
95.04960	4.1
95.08595	2.0
97.01086	1.7
98.06078	1.0
100.02204	1.9
101.00624	1.8
102.05555	1.3
105.07024	5.9
106.06559	1.4
107.04951	2.3
107.08578	2.4
109.02876	1.3
109.06503	1.6
109.10112	1.1
110.06013	1.2
111.04420	1.2
112.02173	3.4
112.07613	1.9
113.00719	0.8
113.05989	1.2
113.40005	1.0
114.03754	1.9
115.02136	4.2
115.05392	1.1
116.01680	7.2
117.00066	1.1
117.07008	2.3
119.04887	1.1
119.08578	7.9
121.02879	1.2
121.06498	2.2
121.10176	1.6
125.07101	4.4
126.05487	1.9
128.06183	1.5
129.06949	1.5
130.03154	1.2
130.04999	11.3
131.04836	1.2
131.08577	5.2
132.01132	2.4
133.06514	1.7
133.10101	3.8
134.02728	1.2
135.08089	1.5
137.05948	1.1
138.03751	1.3
140.01619	1.2
141.06915	2.2
142.03217	2.3
142.07771	2.1
143.08604	6.2
145.06480	1.6
145.10130	6.9
146.02766	1.6
147.07993	3.0
147.11707	0.9
148.07616	0.9
149.09595	1.3
153.06982	1.8
154.04976	4.8
155.08546	3.7
156.06514	2.8
156.09302	3.1
157.06537	1.0
157.10089	7.4
158.02664	2.7
159.08047	2.7
159.11691	4.3
160.04263	2.7
161.09593	2.4
162.02185	3.1
163.11197	2.2
165.07045	1.7
167.08533	3.4
168.09274	1.8
169.10072	4.7
171.07666	12.3
171.11688	3.3
172.04324	1.4
173.09578	5.3
175.07570	1.4
175.11110	1.4
177.05452	2.5
178.00531	1.0
179.08559	1.9
180.06622	1.0
181.06551	1.1
181.10056	4.9
182.10854	1.3
183.11662	5.5
185.09608	2.7
185.13321	1.6
186.02222	1.1
187.11110	6.5
188.03717	1.5
192.06526	1.6
193.10115	2.9
194.08127	1.3
195.11699	3.6
196.08727	1.1
197.09673	1.2
197.13303	2.0
199.07323	1.8
199.11188	3.2
200.05608	2.3
201.12796	1.3
206.08116	2.0
207.11740	2.8
209.13225	3.8
211.11162	2.1
217.08215	16.7
217.10182	2.0
221.13130	1.1
223.10977	1.1
225.12703	2.0
227.14317	1.9
229.12259	1.3
237.12738	2.6
255.13760	4.0
273.14859	13.6
293.15320	1.2
313.17825	2.6
331.18924	1.1
343.13672	1.2
348.15732	1.1
361.14615	1.4
373.19861	1.9
386.17639	2.2
391.05450	0.9
391.21078	2.5
405.06094	2.2
414.17114	3.7
427.15103	2.0
432.18387	24.2
433.18320	1.9
450.19522	8.9
499.21960	1.4
515.22058	1.5
517.23895	4.9
525.20648	5.4
543.21588	22.6
544.21442	2.0
561.22644	100.0
562.22998	8.1
579.23828	11.2
639.24762	2.0
650.05597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81573	0.3
53.03934	0.6
55.01865	0.7
55.05495	1.1
67.05480	0.8
69.03423	2.0
69.07063	0.8
69.27997	1.3
69.28406	0.8
71.04979	0.5
73.02892	0.6
75.21108	0.4
77.03919	0.7
78.12956	0.4
79.05505	2.4
81.03397	1.8
81.07039	1.1
83.08616	0.5
85.02903	2.8
87.00809	0.9
87.04464	0.6
87.80923	0.3
91.05479	2.2
93.07048	2.1
95.04940	1.5
95.08611	1.8
97.02883	1.1
98.23438	0.9
103.05452	2.3
105.01850	0.6
105.04480	0.5
105.07016	1.6
107.04938	3.4
107.08585	1.8
109.02847	0.9
109.10136	0.4
111.08089	0.5
115.05449	0.6
117.07001	0.4
119.04977	0.4
119.08569	3.2
121.02832	1.3
121.06509	0.8
121.10139	10.7
123.08008	0.5
125.09626	0.4
127.03926	1.7
129.06996	0.5
131.08559	0.6
133.06525	0.5
133.08595	0.5
133.10123	1.3
135.04395	1.5
135.08081	0.4
137.05977	1.3
139.11162	1.2
143.08562	0.8
145.05000	0.5
145.06471	0.6
145.10045	0.5
147.04376	0.5
149.02312	1.1
149.05948	0.9
151.07538	2.1
153.05466	0.7
157.10172	0.5
161.05914	0.9
163.03899	32.0
163.07520	2.0
164.04227	0.5
165.05458	5.5
171.07927	0.5
173.05954	0.7
175.07527	1.4
177.05458	54.5
177.08975	1.6
178.05785	1.1
179.07034	1.4
181.06459	0.4
187.07494	1.8
189.05450	1.3
189.09134	0.8
191.07019	19.2
192.07379	0.6
193.08618	1.2
193.12172	0.4
195.06456	2.1
201.05414	0.5
201.09108	1.6
203.06894	0.5
203.10619	0.7
205.08594	0.9
209.09743	0.4
210.59637	0.4
211.07582	0.4
211.11214	0.5
212.08356	0.6
213.08974	0.7
215.06984	0.8
215.10707	1.1
217.08586	2.9
219.10117	0.5
223.05988	1.6
225.08920	0.6
227.10640	2.6
229.08540	1.7
229.12100	0.6
232.10999	0.4
239.10596	0.7
239.14296	0.5
243.10143	1.3
243.13747	0.9
245.11650	0.8
253.12154	0.6
257.15387	3.9
267.13675	0.5
267.16089	0.7
270.12491	0.8
277.16010	0.4
283.09705	0.6
283.13123	0.5
283.64038	0.4
285.14819	5.5
295.16806	1.5
298.15579	0.5
303.15799	0.8
313.17966	4.5
331.19055	4.3
345.16956	18.2
346.17252	0.5
373.20068	52.6
374.20377	1.9
391.21115	100.0
392.21573	4.7
459.27469	0.5
528.11670	0.4
542.09424	0.5
639.30322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.281
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
50.72483	0.8
51.33931	0.8
59.04996	1.0
67.05504	3.6
69.07063	1.0
69.95183	2.4
73.02911	1.3
79.05491	3.9
81.07066	1.3
86.00751	1.0
87.04453	8.3
89.06007	5.9
91.05486	3.8
93.07043	2.7
94.06556	1.2
95.04949	1.8
95.08604	2.2
103.05460	2.9
105.07023	28.6
106.69547	0.8
107.05039	0.9
107.08555	1.3
108.08116	2.1
113.17136	0.8
115.05531	0.9
116.04969	1.3
117.07018	1.2
119.08536	1.5
120.04483	3.2
120.08096	9.3
121.06463	2.1
122.09701	2.0
124.03976	1.7
127.01544	3.1
129.06961	1.1
129.80206	1.0
131.07144	1.8
131.08591	2.6
133.08607	2.1
134.06030	1.1
136.07623	0.9
143.08507	1.0
144.04446	2.7
146.02145	1.8
146.06006	3.2
147.08041	2.6
148.07585	3.9
150.09154	2.7
158.09671	1.4
164.72887	1.1
172.03914	8.1
183.09198	1.9
184.09947	1.1
186.09096	1.3
187.08745	1.2
190.04948	1.1
195.09164	1.5
197.10786	1.9
204.06520	12.6
211.08746	2.5
212.09357	1.6
223.08742	1.8
223.12207	1.0
224.09377	1.7
225.06723	1.1
225.10321	5.0
227.11725	7.3
235.08495	2.4
236.09456	2.5
237.10281	3.1
239.11732	1.7
247.08719	1.1
248.09430	1.1
249.10178	5.4
250.07506	1.2
250.11014	2.4
251.08209	1.9
251.11847	4.5
253.09695	1.9
253.13507	3.0
263.08191	1.7
263.11899	2.5
264.09033	2.2
265.09692	2.2
267.11285	1.4
275.08060	1.1
275.11780	1.0
275.20197	1.3
277.09766	2.8
279.11270	3.4
281.09274	1.2
285.12405	3.6
293.09433	1.0
299.14017	2.1
300.11392	1.7
300.15100	0.9
301.15616	1.1
302.12906	1.1
307.10764	2.1
309.12289	2.6
311.14053	2.3
312.11566	1.3
312.15253	1.3
314.12970	3.6
315.13751	1.6
325.12262	2.6
326.13110	2.6
327.13431	4.3
328.11008	1.3
328.14569	3.7
330.12506	1.3
330.16165	1.2
332.13736	1.4
337.11920	1.2
338.12985	1.5
338.16608	1.6
339.13580	5.5
340.10773	1.6
340.14560	3.8
341.11578	1.3
341.15204	2.3
342.12415	7.0
342.16171	4.4
343.13065	1.1
354.12415	3.1
354.16138	2.4
355.13116	2.7
356.13870	5.5
357.14807	3.6
358.15680	3.3
367.13348	1.9
368.14090	3.7
369.14822	2.3
370.15594	7.4
371.16330	2.0
382.15549	2.2
383.16202	3.4
384.17395	5.1
385.18097	2.0
391.16119	1.1
396.13364	1.0
397.13910	1.5
398.14697	1.3
399.15991	1.2
402.18375	2.0
410.15100	3.9
412.16394	4.2
417.17175	1.1
419.19153	1.8
420.15732	1.6
421.20178	1.2
426.18085	4.1
430.17447	1.7
433.16345	2.6
434.17242	1.4
435.17981	2.2
442.17886	1.7
444.19168	14.0
445.19757	1.1
447.18100	2.5
449.19330	7.6
450.20178	1.3
452.16046	1.3
463.21283	3.5
464.21924	2.0
465.22339	1.2
470.16983	5.4
472.18649	2.0
477.18408	1.9
491.20432	2.2
492.21030	1.5
502.20358	1.2
504.21255	2.5
505.22198	1.4
518.21344	4.8
519.23761	2.8
521.22180	1.0
536.24689	1.3
551.26538	17.7
552.26630	1.6
564.23212	1.0
579.25952	21.2
589.23511	2.3
607.25464	12.7
611.28577	74.6
612.28992	6.8
621.27100	2.2
639.28064	100.0
640.26752	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	640.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64462	0.8
55.01874	0.8
68.21228	0.7
68.99787	2.0
70.39999	1.1
70.40314	1.4
72.34914	0.9
74.00243	0.8
78.47640	0.8
91.05522	1.5
95.04973	1.0
103.05464	16.0
103.06115	1.4
103.40546	0.7
104.05796	1.0
105.03421	1.1
109.02858	1.2
115.05373	1.3
117.07026	1.0
121.06532	1.1
131.04921	36.6
132.05272	1.6
138.01857	4.5
140.03412	1.4
148.03928	1.6
150.01877	1.1
151.00249	0.9
153.01898	1.3
160.76001	0.9
162.05540	0.9
166.01294	5.5
166.05040	1.0
166.99887	1.0
167.02130	9.6
168.02896	4.1
169.01352	2.2
174.36519	0.8
176.03488	1.2
178.01305	4.7
179.03433	2.2
180.02982	0.9
184.02428	1.5
185.03230	3.0
188.03546	1.2
190.04979	1.0
192.02896	4.3
200.03578	1.7
202.01433	2.4
202.05070	1.6
204.02994	1.9
205.03819	0.9
212.03491	2.2
214.04880	1.2
216.02879	2.4
218.00890	1.3
218.04539	2.4
220.02454	2.8
224.03450	1.1
225.05501	2.8
228.02850	3.8
230.04517	4.5
234.04150	1.3
240.02992	2.4
242.04442	6.7
242.08058	1.0
244.02544	3.1
246.03990	2.1
254.00870	1.0
254.04533	2.4
255.06697	1.7
257.08005	0.9
258.03952	15.4
259.04279	0.8
268.02432	5.0
270.04300	1.2
270.07684	4.1
271.08374	3.2
272.01904	2.0
272.09201	3.3
274.08676	1.8
282.04099	2.4
282.07626	3.2
286.03592	2.0
286.08707	2.0
288.01340	2.0
296.01846	1.4
302.08231	2.9
306.02487	1.2
308.05563	0.9
310.03461	6.5
316.09793	1.0
326.02872	1.1
336.01373	5.2
336.04968	1.4
337.01996	0.9
338.02942	9.8
340.00781	1.0
346.10721	1.0
354.02469	5.2
356.09073	1.1
362.10208	19.6
362.14426	1.3
363.10489	2.2
364.01025	1.9
372.08533	1.5
384.08569	1.7
386.10364	1.5
390.09903	1.6
392.07584	1.4
397.08270	0.9
408.11026	2.9
412.08011	5.3
414.09869	2.7
421.08014	2.9
430.09610	1.4
432.10892	2.3
434.08313	2.0
440.07419	4.2
441.08221	1.5
442.09244	16.9
443.09479	1.4
458.08716	12.9
459.09036	1.4
468.07272	2.9
476.09988	3.6
486.08041	7.0
490.16061	1.3
504.09119	10.3
516.14539	8.4
517.15002	1.0
518.16284	2.0
522.11255	1.6
524.13232	5.9
525.14185	6.3
526.14642	1.2
536.11725	4.8
544.13959	2.9
545.14148	4.1
546.15430	8.3
562.14954	31.0
563.15240	3.3
590.14606	7.9
594.17157	1.1
608.15625	19.4
622.18195	2.3
640.18152	100.0
641.18805	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	640.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01850	0.2
55.05507	0.2
57.03428	0.3
61.02912	0.2
65.03934	0.6
67.05509	0.1
68.99783	0.2
69.03412	1.3
71.04969	0.2
74.51087	0.1
79.05475	0.3
80.97493	0.1
81.03391	1.0
81.07038	0.1
81.13416	0.2
83.04978	0.8
85.02897	1.6
87.00827	0.5
91.05463	0.2
93.07100	0.1
94.29202	0.1
95.04953	0.3
96.04459	0.3
97.02884	100.0
98.03228	1.0
98.23504	0.3
99.04449	0.4
103.03896	0.2
105.01858	0.5
105.07028	0.2
109.02871	0.8
111.04440	1.1
114.05499	0.4
115.03922	0.2
118.45482	0.1
121.02855	27.7
122.03162	0.2
123.04433	0.2
125.02359	0.2
127.03902	0.9
129.05475	0.6
133.02846	0.4
139.03889	0.5
149.05937	0.2
151.03897	2.0
153.12741	0.2
159.02850	0.2
163.03883	0.2
177.05386	0.3
181.04951	0.3
189.03897	0.8
193.04927	0.2
199.05948	0.3
205.04932	0.3
211.05960	0.3
215.05429	0.4
217.04939	8.6
218.05141	0.2
223.05966	0.4
235.05983	3.7
241.07045	0.4
253.07057	4.1
295.08099	0.2
309.06073	0.3
321.24234	0.3
327.06970	0.7
339.25385	0.2
345.08258	1.1
347.10974	0.1
361.08920	0.2
376.35291	0.1
420.26163	0.2
447.08887	0.3
465.10150	0.6
483.11481	0.8
501.12381	2.0
561.81885	0.2
640.27423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01888	0.3
55.05508	0.5
57.03443	0.5
65.03931	1.4
68.99780	0.6
69.03434	4.1
73.02912	0.4
79.46187	0.3
81.03422	3.4
81.07038	0.5
83.04984	2.0
85.02911	3.3
87.00836	1.6
87.04456	0.4
89.06028	0.6
91.05482	0.3
93.03393	0.6
95.04964	0.4
97.02889	100.0
98.03233	1.3
99.04470	0.7
100.85932	0.3
103.03925	0.4
103.05463	0.4
105.01861	1.4
105.07036	0.7
109.02881	2.6
109.19926	0.3
111.04438	1.7
111.19747	0.4
114.05489	0.5
115.03894	0.4
118.89262	0.4
121.02861	42.4
122.03172	0.7
123.04443	0.4
127.03909	3.0
129.01855	0.3
129.05453	1.4
133.02834	0.9
135.04411	0.5
139.03883	1.0
145.04907	0.4
149.05945	0.4
151.03880	3.3
163.03804	0.4
177.05394	0.6
181.04880	0.4
189.03915	0.8
199.03880	0.5
199.05905	0.5
203.95610	0.3
205.04922	0.9
211.06032	0.5
213.03923	0.6
215.05464	0.9
217.04944	9.5
223.06024	0.8
231.04953	0.9
235.05994	4.0
241.06978	1.0
253.07042	5.7
265.06772	0.4
270.09601	1.2
295.08209	0.5
327.06943	1.1
345.07938	1.4
361.09036	1.0
421.11279	0.4
447.08939	1.2
465.10547	2.3
483.11288	2.9
501.11914	1.1
608.25317	0.7
640.28601	0.5
641.31274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
67.05502	1.4
79.94624	0.8
82.53968	0.9
86.09715	1.5
89.06035	2.5
91.05479	2.8
95.04971	1.6
95.08596	1.7
98.71064	0.9
103.05489	1.0
104.10743	1.8
105.03386	10.8
105.04492	1.4
105.07016	12.8
106.07341	0.9
107.08649	1.4
119.08601	3.3
124.03958	1.1
126.61303	0.8
131.08551	1.2
133.08640	1.9
133.10173	1.0
143.08638	1.3
146.02121	1.2
157.10193	1.2
159.11739	1.5
169.10068	0.9
183.11801	1.1
193.04985	1.4
197.13231	1.1
203.00874	1.3
235.14725	0.9
241.12292	0.9
321.14426	1.5
353.17340	2.0
395.18265	4.5
449.20020	0.9
517.21985	71.0
518.22449	5.2
537.18854	1.8
640.25116	100.0
641.25372	10.5
644.26703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
67.05499	1.7
69.07064	0.5
69.41743	1.4
69.42162	0.7
71.04986	0.5
72.08147	0.5
72.98754	0.4
73.02915	0.5
73.06561	0.7
78.03471	0.7
79.05491	1.7
81.07050	1.2
83.04985	0.7
87.04471	5.8
89.06026	3.1
91.05470	2.2
93.07041	1.5
95.04977	1.3
95.08585	0.8
96.04486	0.5
97.02914	0.6
98.22741	0.7
102.03203	1.2
103.05486	1.0
105.03430	0.6
105.04526	0.5
105.07029	14.4
106.02901	2.8
106.07363	1.6
107.08600	1.1
117.07027	1.0
119.08566	3.5
121.06524	1.3
121.10171	0.7
124.03942	5.9
127.01559	1.2
131.07028	0.5
131.08565	1.9
133.08627	1.2
133.10106	0.5
142.07848	0.5
143.08556	0.6
145.10095	1.5
146.01033	0.9
146.02130	9.6
147.08046	2.4
149.09595	0.6
155.08511	0.6
156.09392	0.4
157.10146	1.1
159.11708	1.7
161.09616	0.7
169.10112	1.0
171.11736	1.4
173.13223	0.8
175.11206	0.4
181.10196	0.6
182.10936	0.5
183.11665	0.9
185.13358	0.5
187.11243	0.6
195.11656	0.7
197.13202	0.5
201.12833	0.6
209.13307	0.7
211.14972	0.7
220.12445	0.5
221.13469	0.4
226.13188	0.4
235.14847	0.5
251.14330	0.7
253.15822	0.9
287.82224	0.4
295.17017	0.6
313.17804	0.7
321.14648	0.5
337.14041	0.5
353.17346	1.5
395.18170	3.6
399.73108	0.4
439.13492	0.5
458.18945	0.4
518.21497	50.4
519.21722	2.8
639.28522	0.5
640.25055	100.0
641.25366	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	640.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86787	0.5
65.03938	3.6
67.05483	1.6
69.03422	1.6
70.75744	0.5
78.40331	0.5
81.03396	0.9
83.04960	0.7
85.02899	1.7
91.05481	6.4
92.97918	0.5
93.03400	2.4
95.04960	0.6
97.02889	100.0
98.03209	1.0
105.07030	0.5
109.02925	0.8
111.04411	1.2
119.04937	14.0
119.05737	1.1
119.08584	0.6
121.02870	12.6
121.03777	0.9
123.15932	0.5
127.03907	0.7
131.08562	1.0
131.50995	0.5
139.03871	0.7
140.04645	0.8
141.07013	1.5
144.05737	1.4
147.04405	10.1
149.02348	4.8
151.03912	1.5
154.06265	1.5
155.07077	1.1
157.03998	2.0
159.08054	1.9
163.03787	0.6
164.04601	0.5
167.03391	23.9
169.06470	0.9
173.06038	0.6
175.03889	18.4
176.04327	0.7
177.05400	0.7
179.07127	0.6
181.04938	2.0
187.07533	3.3
196.05162	0.8
197.06009	1.5
207.06506	38.9
208.06819	1.3
215.07040	1.3
217.04964	3.9
218.09433	0.8
219.10161	1.8
229.08633	2.9
235.05974	1.6
237.89212	0.6
243.06573	0.6
247.09671	1.7
253.07161	1.0
257.08078	2.0
271.06018	1.4
272.06302	1.1
275.09149	9.4
303.08783	3.2
321.09668	16.3
339.10754	3.6
393.44861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66375	1.1
53.03955	1.5
55.01867	3.1
55.05507	11.0
56.05032	4.6
57.03422	5.9
57.05821	2.4
58.06599	3.5
59.04997	4.4
65.03938	2.7
67.05496	42.9
68.05026	4.9
69.03420	2.9
69.07069	2.6
69.77228	2.3
70.06585	28.9
71.04998	3.0
72.04507	5.7
72.08148	29.4
79.05484	41.1
80.05015	2.3
81.03400	2.9
81.05798	2.2
81.07051	13.7
81.70260	1.0
82.06564	9.7
83.04972	30.5
83.07343	7.0
84.08138	24.3
85.02885	2.0
86.06039	1.3
86.09710	1.0
91.05482	7.5
93.07043	2.1
95.04950	9.3
95.08643	1.5
96.08118	9.3
97.02892	1.3
97.08923	4.6
97.10181	1.3
98.09702	7.0
99.06808	1.2
100.07607	100.0
101.07177	1.5
102.15514	1.1
103.05467	1.2
105.07058	3.1
107.04940	2.5
107.08582	40.2
108.02068	1.9
108.08144	3.0
109.06502	2.2
109.08896	4.3
109.10147	2.1
110.06013	1.5
110.09669	26.7
111.04444	1.2
112.07616	3.0
112.11237	3.4
112.92891	1.0
115.46048	1.0
117.10276	4.3
119.04877	1.1
119.06038	1.5
120.08113	3.5
122.09626	5.9
124.07600	4.1
124.11214	56.8
125.09616	87.4
126.09138	2.2
126.09982	1.4
127.11172	1.3
127.12315	2.4
129.10208	5.8
131.04976	2.9
136.11261	1.9
138.09108	2.5
138.11485	1.6
138.12776	1.1
141.05505	2.5
143.11803	2.5
144.12569	1.4
145.02753	1.3
148.11209	1.6
149.09700	1.4
151.03900	55.7
151.05025	6.6
151.46342	1.1
152.04240	1.3
152.10686	34.8
155.11789	7.6
156.12593	3.2
163.03940	4.2
168.12570	1.4
169.13358	6.6
171.14894	11.2
174.79774	1.0
177.05521	2.4
178.12300	1.6
178.15889	8.7
180.17461	2.1
181.05032	1.3
187.14442	4.4
188.17577	5.9
194.15462	2.9
196.16949	16.9
204.17136	2.9
206.15414	2.7
211.14362	1.1
221.16441	11.5
223.18092	1.6
224.16464	8.8
238.19016	1.4
240.20795	4.5
241.19051	1.3
242.18684	1.9
256.20300	3.5
271.05945	1.9
292.23956	1.2
294.23032	3.6
295.23560	1.8
299.05460	5.9
303.05151	1.6
310.24850	16.1
311.25626	1.4
312.26422	10.8
315.08563	3.4
316.08984	2.5
328.25827	9.0
340.04825	1.5
387.84216	1.1
516.08240	1.2
516.25476	24.7
562.22955	1.5
568.28473	11.9
622.33209	10.1
623.33240	1.5
640.34314	86.3
641.34900	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	640.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66375	1.1
53.03955	1.5
55.01867	3.1
55.05507	11.0
56.05032	4.6
57.03422	5.9
57.05821	2.4
58.06599	3.5
59.04997	4.4
65.03938	2.7
67.05496	42.9
68.05026	4.9
69.03420	2.9
69.07069	2.6
69.77228	2.3
70.06585	28.9
71.04998	3.0
72.04507	5.7
72.08148	29.4
79.05484	41.1
80.05015	2.3
81.03400	2.9
81.05798	2.2
81.07051	13.7
81.70260	1.0
82.06564	9.7
83.04972	30.5
83.07343	7.0
84.08138	24.3
85.02885	2.0
86.06039	1.3
86.09710	1.0
91.05482	7.5
93.07043	2.1
95.04950	9.3
95.08643	1.5
96.08118	9.3
97.02892	1.3
97.08923	4.6
97.10181	1.3
98.09702	7.0
99.06808	1.2
100.07607	100.0
101.07177	1.5
102.15514	1.1
103.05467	1.2
105.07058	3.1
107.04940	2.5
107.08582	40.2
108.02068	1.9
108.08144	3.0
109.06502	2.2
109.08896	4.3
109.10147	2.1
110.06013	1.5
110.09669	26.7
111.04444	1.2
112.07616	3.0
112.11237	3.4
112.92891	1.0
115.46048	1.0
117.10276	4.3
119.04877	1.1
119.06038	1.5
120.08113	3.5
122.09626	5.9
124.07600	4.1
124.11214	56.8
125.09616	87.4
126.09138	2.2
126.09982	1.4
127.11172	1.3
127.12315	2.4
129.10208	5.8
131.04976	2.9
136.11261	1.9
138.09108	2.5
138.11485	1.6
138.12776	1.1
141.05505	2.5
143.11803	2.5
144.12569	1.4
145.02753	1.3
148.11209	1.6
149.09700	1.4
151.03900	55.7
151.05025	6.6
151.46342	1.1
152.04240	1.3
152.10686	34.8
155.11789	7.6
156.12593	3.2
163.03940	4.2
168.12570	1.4
169.13358	6.6
171.14894	11.2
174.79774	1.0
177.05521	2.4
178.12300	1.6
178.15889	8.7
180.17461	2.1
181.05032	1.3
187.14442	4.4
188.17577	5.9
194.15462	2.9
196.16949	16.9
204.17136	2.9
206.15414	2.7
211.14362	1.1
221.16441	11.5
223.18092	1.6
224.16464	8.8
238.19016	1.4
240.20795	4.5
241.19051	1.3
242.18684	1.9
256.20300	3.5
271.05945	1.9
292.23956	1.2
294.23032	3.6
295.23560	1.8
299.05460	5.9
303.05151	1.6
310.24850	16.1
311.25626	1.4
312.26422	10.8
315.08563	3.4
316.08984	2.5
328.25827	9.0
340.04825	1.5
387.84216	1.1
516.08240	1.2
516.25476	24.7
562.22955	1.5
568.28473	11.9
622.33209	10.1
623.33240	1.5
640.34314	86.3
641.34900	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	641.1349
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.03923	0.2
55.01863	0.1
57.03415	0.2
61.02896	0.1
63.47216	0.1
64.26331	0.1
67.05464	0.1
68.99792	0.2
69.03409	0.3
69.60825	0.2
69.61203	0.3
70.06563	0.3
71.01340	0.2
71.04971	0.3
73.02876	0.2
79.05476	0.4
79.86430	0.1
81.03392	0.2
85.02412	0.1
85.02900	1.8
89.03902	0.1
95.01327	0.5
95.04943	0.3
96.10390	0.1
97.02876	0.4
98.23386	0.2
99.04462	0.1
100.07595	0.4
101.07904	0.1
105.79030	0.1
107.04947	4.8
109.02882	0.2
113.02336	0.4
117.03367	0.1
123.00774	0.4
127.03937	0.2
129.13811	0.1
131.03392	0.2
131.04909	0.1
132.81352	0.1
134.51852	0.1
135.04404	2.4
137.02328	0.6
137.05893	0.1
141.01816	1.0
145.02821	0.4
145.04915	0.2
151.00264	0.1
151.03883	0.2
152.10710	0.1
159.02826	0.1
163.03891	4.7
164.04251	0.5
169.01309	26.7
170.01642	0.6
173.05986	0.1
181.04913	0.3
196.16927	0.4
224.16463	0.1
229.04987	0.1
261.04056	0.2
285.03848	0.1
287.05505	0.9
288.05829	0.7
289.06009	0.5
303.04950	100.0
304.05289	3.8
304.10507	0.1
325.09076	0.3
348.68015	0.1
361.92245	0.1
370.65768	0.1
421.75266	0.1
465.10229	3.7
466.10532	0.2
640.33923	0.2
641.13348	4.9
641.34418	0.3
642.13904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1349
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.03950	0.1
55.01876	0.1
57.03429	0.2
61.02921	0.3
64.24741	0.1
68.99791	0.2
69.03425	1.1
69.08067	0.5
71.01357	0.2
73.02899	0.3
79.05475	0.2
81.03416	0.4
85.02405	0.1
85.02898	2.1
87.04447	0.3
91.03939	0.1
95.01321	0.2
97.02882	0.8
98.23449	0.1
99.04431	0.2
107.04244	0.1
107.04946	1.6
109.02881	0.3
113.02370	0.1
123.00790	0.7
127.03922	0.6
131.03406	0.1
135.04401	0.9
137.02310	0.5
141.01817	0.2
145.04955	0.3
147.04477	0.1
151.00241	0.6
151.03911	0.3
153.01816	0.1
163.03860	0.1
169.01311	17.9
170.01628	0.3
208.53207	0.1
226.53532	0.1
229.05089	0.1
257.04367	0.4
261.03943	0.1
275.05322	0.1
285.03915	0.6
298.12524	0.1
302.04034	0.2
303.04953	100.0
304.05301	3.6
304.08832	0.2
313.03375	1.0
315.04865	0.1
325.03058	0.1
327.05048	0.2
345.06024	0.2
465.10269	5.9
466.10464	0.3
479.08148	2.5
480.08231	0.1
546.93628	0.1
641.13306	1.0
641.23016	0.1
642.13635	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	641.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99483	0.3
68.99787	3.6
69.42767	1.6
71.68547	0.3
79.01849	0.7
82.30896	0.3
90.56918	0.3
91.05466	2.9
95.04951	0.4
99.77147	0.4
103.05437	0.4
104.04967	0.5
105.02749	0.4
105.03381	3.6
105.07018	0.4
107.01312	0.3
108.13045	0.4
110.02396	0.7
115.05427	2.0
116.04923	0.8
118.06516	0.6
119.04939	0.8
127.05420	0.4
128.04935	1.1
129.03345	1.4
138.01855	5.2
140.04915	1.5
142.06517	5.0
154.06500	5.4
155.06085	0.4
155.07248	0.8
166.01358	4.8
166.06520	0.5
168.03014	0.3
168.04422	1.4
170.06004	9.4
182.05994	5.3
184.02435	0.8
194.05930	0.4
196.03957	0.7
198.05479	1.9
210.05476	5.7
211.06245	4.4
214.04993	1.9
225.05400	1.7
226.05028	1.1
228.06689	0.4
238.04973	5.3
239.05730	2.8
242.08022	0.6
254.04463	1.3
256.06049	5.0
266.04459	31.8
267.05173	5.7
270.07623	1.1
284.05515	80.2
285.05923	4.0
303.00568	0.3
328.10065	0.4
360.12207	0.5
370.10715	100.0
371.11179	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	641.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90939	0.4
54.50428	0.4
63.72494	0.5
64.06355	0.5
69.14019	3.4
70.62943	0.5
78.03449	1.5
79.05491	0.9
81.07054	0.9
83.04990	0.7
87.04474	1.8
91.05482	1.1
93.07042	1.2
94.06563	0.8
95.04952	0.9
95.07368	0.6
95.08606	1.0
96.08157	0.8
97.02910	0.9
102.03184	2.1
102.70711	0.5
104.07128	1.6
105.07006	1.2
106.02914	2.8
107.08598	0.7
108.08112	0.7
108.33929	0.5
109.02643	0.7
110.09689	1.3
114.40086	0.5
119.08593	2.4
120.08119	1.7
122.06013	0.6
124.03963	2.3
129.12706	0.5
130.39726	0.5
131.08562	1.2
133.10091	0.5
138.09166	1.2
145.10132	1.2
146.02113	9.3
155.08525	0.7
156.09378	0.6
157.10158	1.5
159.11716	1.0
166.08601	1.8
169.10120	0.9
171.11763	1.2
173.13228	0.9
183.11765	1.0
185.13313	0.7
187.11143	0.7
197.13232	1.1
220.12505	0.7
235.15076	0.7
249.10210	1.2
274.58160	0.5
277.09717	1.2
293.15298	0.7
309.12747	0.6
335.16229	0.7
354.12357	0.6
355.13461	0.5
368.14185	0.8
369.14578	0.7
382.11627	0.7
382.15955	0.8
384.17374	0.9
395.18268	1.8
398.18719	0.9
410.14929	1.3
412.16498	1.2
438.14661	1.7
456.15546	5.7
458.17575	0.9
465.19046	0.7
471.19620	1.3
476.18265	3.3
488.18021	2.5
518.21466	54.0
519.21674	2.6
520.54675	0.5
559.25299	0.8
581.22742	0.7
591.22430	0.8
595.25531	0.8
609.23157	2.1
623.25183	1.9
641.24707	100.0
642.25128	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	641.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.4
79.05482	0.5
81.07044	0.4
84.21634	0.2
87.04423	0.2
89.06029	0.3
91.05485	0.5
93.07054	0.3
105.07021	1.2
107.08595	0.4
119.08558	0.3
139.46474	0.3
176.81584	0.2
246.08725	0.2
275.19952	0.3
340.14520	0.3
363.16107	0.3
377.17715	0.9
378.18344	0.4
379.19220	0.8
380.19949	0.3
391.14978	0.4
391.19229	1.0
392.20041	1.1
393.20874	1.9
402.18115	0.3
405.16669	2.1
405.20438	0.5
405.21802	0.5
406.16956	1.5
406.22122	0.7
407.18503	0.7
407.22693	3.9
408.22980	1.0
409.23947	0.3
418.18118	0.4
419.18213	2.7
419.23541	0.4
420.19061	2.0
421.20197	4.9
422.20569	0.4
423.21896	1.2
432.19232	0.3
433.20340	5.0
434.21240	3.8
435.21869	6.9
436.22644	1.7
437.22955	0.3
447.22293	2.0
448.22897	0.8
449.19553	8.3
450.20264	0.8
451.21274	0.4
461.24106	0.5
462.20657	0.9
463.21008	2.7
464.22006	1.9
465.18671	0.6
466.24075	0.4
467.24493	0.9
475.21176	0.4
477.23096	0.5
479.20877	1.0
480.21606	0.4
481.21960	1.7
491.24396	0.3
493.21802	2.0
494.22888	3.1
495.23764	3.4
507.24417	2.0
508.24725	0.3
509.25421	0.5
519.22681	0.4
521.25610	8.9
521.33258	0.4
522.25763	0.8
523.27087	0.5
526.25507	0.4
535.23535	0.4
539.22345	1.3
549.25043	1.0
550.26019	0.4
551.26019	0.3
553.25659	0.8
563.26465	1.0
567.26147	0.4
581.27576	18.7
582.27722	1.0
609.27185	0.6
623.28265	0.3
641.29620	100.0
642.29724	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	641.2966
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.42874	0.4
53.51670	0.4
54.96539	0.4
56.96321	0.4
69.59072	1.8
79.05496	0.6
94.34405	0.4
102.24784	0.5
102.75227	0.4
105.07037	1.0
107.08635	0.5
112.54389	0.4
128.97037	0.4
172.35373	0.5
176.66579	0.5
178.91861	0.5
219.75885	0.5
221.90297	0.4
225.10269	0.4
308.51547	0.5
362.08282	0.5
377.17691	0.9
378.18817	0.5
379.19049	1.1
390.18756	0.5
391.19180	1.8
392.20169	1.1
393.20831	2.1
394.21286	0.5
405.16681	2.7
406.17435	1.1
407.18439	1.2
407.22791	4.7
408.23141	0.9
413.70755	0.5
419.18292	3.3
420.19135	2.4
421.15576	0.5
421.20276	6.3
422.20886	0.8
423.21924	1.3
433.20319	6.1
434.21301	4.3
435.21838	9.2
436.22598	1.4
447.22522	0.7
448.23093	0.6
449.19556	8.2
450.20145	1.1
460.42825	0.5
461.24185	0.6
462.20474	0.7
463.21222	4.3
464.22168	1.9
465.18530	0.7
475.21094	0.5
477.23044	1.0
479.20712	0.6
481.22531	1.9
493.21713	2.2
494.23029	3.4
495.23804	3.2
507.23737	2.0
521.25714	9.3
522.25690	1.3
535.23352	0.6
539.22394	1.0
549.24799	1.0
553.26990	0.9
563.26624	1.1
581.27606	19.8
582.27917	1.9
641.29657	100.0
642.29865	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	641.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
60.05646	1.5
67.05511	3.4
71.43152	1.7
73.02901	1.5
77.04572	1.2
78.03446	1.7
79.05487	2.7
80.05017	5.3
81.03423	1.4
81.07061	3.9
83.04977	5.4
87.04473	2.7
89.47556	1.3
91.05482	5.2
93.07054	3.4
95.04980	3.4
95.08589	7.5
96.04493	2.9
105.03411	3.9
105.07033	8.8
107.08563	6.6
111.03662	2.4
111.04438	53.3
119.08589	7.5
124.03944	100.0
129.07010	1.6
131.08524	7.6
133.10168	5.5
139.03889	97.1
141.06950	1.7
142.07742	2.1
143.08568	3.0
145.10139	10.7
152.84459	1.3
155.08522	3.3
156.09361	5.4
157.04947	2.3
157.10156	8.7
159.11691	9.1
161.13239	1.7
164.48860	1.3
166.07683	1.4
167.08578	2.5
169.10170	4.5
170.10892	8.1
171.11678	8.3
171.54752	1.2
173.09645	5.4
173.13272	14.7
179.08575	2.4
181.10182	6.1
182.10930	1.5
183.11710	4.8
184.12433	2.6
185.13228	13.9
187.14816	11.2
193.10156	3.3
194.10898	1.9
195.11748	4.6
196.12500	5.4
197.09593	2.7
197.13322	4.0
198.14049	3.3
199.11192	2.7
199.14812	4.9
201.16298	9.6
205.15799	1.6
206.10800	2.0
207.11702	5.1
208.12442	1.6
209.09679	1.6
209.13274	3.9
211.11198	1.7
211.14815	13.6
213.16364	15.1
221.09711	1.4
221.13248	4.3
223.14789	3.9
229.15926	2.6
232.12552	1.9
235.14836	4.1
236.15634	2.8
237.12700	2.1
237.16438	5.7
241.15965	1.8
247.14929	3.1
251.14218	1.9
253.15915	2.4
254.16806	1.8
255.17497	4.7
265.01102	1.5
265.13345	1.4
265.15845	8.2
272.17865	1.9
273.33945	1.3
275.14139	4.5
283.16925	5.8
285.14963	1.5
293.15314	6.0
295.17014	3.8
297.18539	2.1
301.17950	5.2
307.16730	9.7
311.16217	1.9
325.17953	9.5
326.53464	1.5
343.19028	12.3
361.20068	49.6
361.24481	3.0
484.23395	2.0
507.05167	1.4
582.23969	1.6
624.27954	1.8
641.26056	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	641.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01855	1.2
55.05515	4.8
56.05021	1.2
57.03437	1.3
57.07069	1.6
58.99586	2.9
64.83431	1.0
65.03936	1.0
67.05508	11.5
68.99788	1.0
69.03436	6.4
69.07059	8.8
69.24939	4.3
70.06599	3.5
71.01352	1.8
71.04981	5.7
72.08157	1.2
73.02932	1.1
76.02234	1.0
78.03432	1.7
79.05493	12.0
80.05025	4.5
81.03447	1.0
81.07057	9.2
82.06561	1.1
83.04987	4.5
83.08603	2.2
84.04505	2.4
84.08167	1.4
85.01157	1.3
85.02912	5.9
85.06551	2.5
86.00653	11.2
86.09706	1.6
88.02221	12.2
88.03990	10.9
89.03909	0.8
91.05473	9.0
93.07050	10.6
95.01322	1.5
95.04970	3.7
95.08603	15.4
96.04510	1.8
97.01073	1.0
97.02896	3.9
97.06535	15.4
101.06027	1.0
105.04543	1.5
105.07027	12.2
106.02921	2.6
107.04960	1.3
107.08606	8.8
109.06548	1.2
109.10139	4.6
110.01379	0.8
110.07207	1.0
111.02627	1.1
111.08079	2.0
112.02187	1.2
113.06030	1.4
115.05396	1.2
115.07565	16.0
116.01726	1.9
117.06978	6.3
119.04980	3.0
119.08580	16.7
119.09410	1.2
121.06486	1.2
121.10139	5.4
122.02771	1.6
123.11713	1.8
124.03951	82.9
125.04249	1.6
128.06235	1.8
129.07010	5.4
129.09138	3.9
129.10141	0.8
130.05077	1.1
130.07776	2.2
131.08568	14.9
132.01149	26.1
133.10132	9.7
134.02725	3.5
135.08070	1.0
135.11716	1.8
137.05966	3.2
138.05486	1.2
141.01845	3.1
141.07048	1.8
142.07813	2.5
143.08549	10.4
144.09335	1.2
145.02921	1.7
145.04999	1.0
145.10121	30.4
147.04433	6.8
147.11662	7.1
149.13268	1.7
151.03885	2.8
155.08569	3.8
156.09367	5.7
157.10129	13.6
158.02750	1.0
158.10883	1.8
159.07991	1.1
159.11690	18.4
161.13274	3.9
163.03932	7.7
163.05266	1.0
163.05768	1.0
164.04153	1.0
167.08528	2.3
169.01311	24.9
169.10124	6.8
170.10922	2.9
171.07767	0.8
171.11679	11.4
172.04355	1.1
172.12466	2.7
173.13254	6.2
175.14851	3.0
177.05574	2.1
177.07289	0.9
177.16499	1.4
179.08458	1.3
181.10089	4.2
182.10925	2.4
183.11693	6.3
184.04205	2.0
185.13239	8.9
187.02415	3.2
187.14815	100.0
188.15202	1.3
189.07468	1.1
193.10226	1.3
195.11726	4.3
196.12471	1.9
197.13234	6.7
198.05855	1.1
199.14876	2.5
203.08852	1.4
203.14284	1.3
203.16701	1.7
207.11722	2.0
208.12459	1.2
209.13252	3.2
210.14061	1.0
211.14856	4.6
213.16373	3.7
214.15919	1.8
217.10541	1.0
219.12010	3.8
221.13527	3.4
223.14877	2.8
227.14342	1.2
237.16391	1.9
239.17960	2.5
241.15968	1.1
250.17137	1.3
257.04520	2.8
257.15369	1.7
265.19534	3.3
273.22116	1.1
283.20477	10.3
285.03976	2.5
289.07034	18.8
291.23111	2.1
292.13614	1.3
301.07181	1.5
301.21622	18.4
303.04941	8.3
304.05469	1.0
308.16769	23.3
309.11151	1.1
317.23782	1.2
345.04611	2.2
365.18332	0.9
404.22415	6.1
422.23538	24.1
423.23917	1.1
431.20004	4.9
434.19998	3.0
440.24741	5.3
452.21002	2.8
467.29099	1.8
479.08286	2.6
479.26614	1.0
485.30023	2.2
545.26740	6.8
563.27942	9.0
581.24792	5.0
605.28290	1.3
623.30078	4.7
641.24908	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	642.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.74095	0.4
68.99757	1.2
69.41544	1.8
85.69933	0.3
90.13684	0.3
103.05488	0.6
115.05475	0.5
131.04936	2.6
132.04420	2.4
136.35526	0.3
142.06473	0.4
147.04463	0.7
156.04391	1.0
158.05995	13.2
160.03897	2.0
162.05492	0.6
170.06000	12.3
182.05983	1.2
184.03978	0.4
186.05508	2.9
198.05475	9.4
198.07318	0.5
210.05470	0.6
226.04980	10.6
234.03903	1.3
238.05003	2.2
254.04474	36.6
255.04909	0.7
257.04468	1.4
265.22821	0.4
266.04575	0.6
269.03271	1.1
282.03952	72.2
283.04315	1.5
300.05011	18.3
301.05225	0.5
340.00784	1.0
344.09027	1.3
386.10202	100.0
387.10474	3.5
444.07172	0.9
527.34619	0.4
548.13446	0.5
629.09912	0.4
642.17548	1.6
642.36298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78842	0.5
55.67406	0.5
56.03776	1.5
59.04864	1.8
60.05358	0.8
60.05650	9.5
65.03939	3.0
65.81832	0.5
66.88629	0.5
67.05502	7.2
68.99788	2.1
70.06580	1.0
71.40798	0.6
72.05623	3.5
73.06419	100.0
79.05516	0.9
80.68253	0.7
81.03398	0.8
85.02901	1.2
86.06691	1.2
86.07191	15.3
87.07967	3.8
91.05489	0.6
93.03405	6.1
94.79764	0.5
95.04964	5.2
98.42362	0.6
103.05471	2.8
105.05396	0.6
105.07050	1.8
107.04939	0.8
108.04459	0.6
109.02882	0.9
109.06531	0.6
112.62766	0.5
117.66425	0.5
121.02883	0.8
131.04927	7.7
134.00951	0.5
135.04449	0.9
136.03915	1.1
137.02345	1.0
138.05539	1.5
139.03906	0.8
144.07663	3.6
145.08466	42.5
147.04449	1.3
153.01833	0.9
161.02321	2.5
163.03906	8.0
164.03464	1.3
165.01866	1.5
169.01308	1.0
179.03432	1.2
181.01421	1.7
181.04959	8.7
181.06427	0.8
183.02815	0.6
185.00841	1.7
189.01743	1.3
193.01332	1.2
194.99364	0.7
195.10028	0.7
197.00888	0.7
198.73903	0.5
204.02898	0.6
206.04482	5.3
207.02884	8.6
209.04494	0.7
211.02359	1.5
213.00357	2.0
221.00804	0.8
222.08833	1.7
223.02412	0.9
224.05515	5.5
225.03928	7.2
226.07214	1.3
227.05521	3.9
239.01888	1.3
248.06726	3.5
249.00365	2.5
250.08224	0.9
266.07706	70.1
267.01471	1.7
267.08142	1.1
268.09216	7.1
271.06110	0.8
273.07629	1.3
276.05978	0.8
284.08661	3.8
286.10315	10.2
286.13245	0.6
299.05344	2.7
302.77039	0.6
312.08365	0.9
318.77039	0.5
326.14685	0.8
327.15829	1.4
331.07904	1.0
352.08133	2.2
352.99435	0.8
353.06509	5.9
370.09421	0.6
370.14087	1.6
371.14771	14.4
371.19266	1.1
372.15479	8.2
433.05869	0.8
434.08337	1.4
538.14575	12.9
556.15936	0.7
571.50702	0.6
642.20380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01870	5.4
57.03434	2.8
57.75818	1.3
61.02912	2.6
65.03907	2.1
67.05510	3.0
68.99775	1.6
69.03414	12.9
69.07041	2.2
70.06586	3.5
70.59025	1.5
79.05489	9.6
80.04990	1.7
81.03415	11.2
81.07055	4.5
83.04955	1.8
85.02897	27.1
86.09708	2.4
87.00822	14.1
87.04477	2.1
89.06055	1.4
91.05481	6.4
93.07041	9.9
94.06581	2.5
95.04971	3.5
95.08608	3.6
96.08115	3.1
97.02877	15.1
97.06523	1.8
99.04460	4.4
103.05447	7.9
105.01848	18.9
105.04520	1.7
105.07008	2.9
107.08578	2.3
108.08086	8.0
109.02883	13.8
117.06996	1.6
118.06553	4.1
119.07353	2.7
119.08599	2.7
120.08092	38.0
121.02845	5.5
121.06480	2.2
122.06056	3.2
124.03918	2.5
127.03909	28.8
133.10118	2.1
136.07574	15.3
138.05573	1.6
138.09142	4.5
145.02843	1.9
145.04930	8.7
147.04401	3.7
148.07559	100.0
149.06006	2.4
149.07962	2.1
151.03934	2.9
159.02904	2.0
161.13161	1.7
163.03900	1.8
164.07097	2.2
166.08643	6.4
177.05406	1.7
179.14253	2.7
180.40057	1.7
181.05009	1.8
209.10791	2.6
211.08731	3.5
213.03993	3.7
223.08746	2.7
224.09358	3.0
225.10249	5.0
227.08208	2.8
227.11894	1.8
231.04948	11.8
237.10207	17.0
238.10811	1.8
239.08224	8.4
239.11731	3.4
241.09814	4.8
249.06116	3.3
249.10959	2.0
251.08113	4.4
252.08659	27.3
253.09679	9.8
255.11304	3.8
265.06943	2.6
265.09689	33.7
266.10431	2.3
267.07620	3.7
267.11255	9.8
269.09250	2.9
281.09222	19.6
283.10806	10.5
287.10172	2.3
293.09198	25.8
295.10782	14.6
299.10321	5.4
307.10638	1.9
309.08713	3.0
311.10245	23.2
313.11838	2.4
321.08661	12.2
323.18600	3.2
325.11993	2.5
327.09729	17.0
328.14368	1.9
339.09763	47.6
341.11377	3.5
341.19562	2.2
353.11243	5.1
357.07990	2.8
359.12289	17.0
371.12378	33.9
372.17093	2.3
385.13818	2.0
400.16635	2.9
418.17703	3.5
428.16138	2.6
446.17059	5.6
474.16571	12.7
478.19690	3.1
488.17944	2.2
492.17358	5.0
502.94131	1.6
503.21878	1.7
506.19006	12.1
522.10486	1.6
524.19720	2.4
534.18591	12.8
550.18005	7.5
560.16656	2.1
566.20959	8.6
578.17664	79.8
579.17816	3.8
592.19012	3.0
610.20093	13.3
642.31830	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	642.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01870	5.4
57.03434	2.8
57.75818	1.3
61.02912	2.6
65.03907	2.1
67.05510	3.0
68.99775	1.6
69.03414	12.9
69.07041	2.2
70.06586	3.5
70.59025	1.5
79.05489	9.6
80.04990	1.7
81.03415	11.2
81.07055	4.5
83.04955	1.8
85.02897	27.1
86.09708	2.4
87.00822	14.1
87.04477	2.1
89.06055	1.4
91.05481	6.4
93.07041	9.9
94.06581	2.5
95.04971	3.5
95.08608	3.6
96.08115	3.1
97.02877	15.1
97.06523	1.8
99.04460	4.4
103.05447	7.9
105.01848	18.9
105.04520	1.7
105.07008	2.9
107.08578	2.3
108.08086	8.0
109.02883	13.8
117.06996	1.6
118.06553	4.1
119.07353	2.7
119.08599	2.7
120.08092	38.0
121.02845	5.5
121.06480	2.2
122.06056	3.2
124.03918	2.5
127.03909	28.8
133.10118	2.1
136.07574	15.3
138.05573	1.6
138.09142	4.5
145.02843	1.9
145.04930	8.7
147.04401	3.7
148.07559	100.0
149.06006	2.4
149.07962	2.1
151.03934	2.9
159.02904	2.0
161.13161	1.7
163.03900	1.8
164.07097	2.2
166.08643	6.4
177.05406	1.7
179.14253	2.7
180.40057	1.7
181.05009	1.8
209.10791	2.6
211.08731	3.5
213.03993	3.7
223.08746	2.7
224.09358	3.0
225.10249	5.0
227.08208	2.8
227.11894	1.8
231.04948	11.8
237.10207	17.0
238.10811	1.8
239.08224	8.4
239.11731	3.4
241.09814	4.8
249.06116	3.3
249.10959	2.0
251.08113	4.4
252.08659	27.3
253.09679	9.8
255.11304	3.8
265.06943	2.6
265.09689	33.7
266.10431	2.3
267.07620	3.7
267.11255	9.8
269.09250	2.9
281.09222	19.6
283.10806	10.5
287.10172	2.3
293.09198	25.8
295.10782	14.6
299.10321	5.4
307.10638	1.9
309.08713	3.0
311.10245	23.2
313.11838	2.4
321.08661	12.2
323.18600	3.2
325.11993	2.5
327.09729	17.0
328.14368	1.9
339.09763	47.6
341.11377	3.5
341.19562	2.2
353.11243	5.1
357.07990	2.8
359.12289	17.0
371.12378	33.9
372.17093	2.3
385.13818	2.0
400.16635	2.9
418.17703	3.5
428.16138	2.6
446.17059	5.6
474.16571	12.7
478.19690	3.1
488.17944	2.2
492.17358	5.0
502.94131	1.6
503.21878	1.7
506.19006	12.1
522.10486	1.6
524.19720	2.4
534.18591	12.8
550.18005	7.5
560.16656	2.1
566.20959	8.6
578.17664	79.8
579.17816	3.8
592.19012	3.0
610.20093	13.3
642.31830	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	642.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82735	0.5
53.22901	0.5
57.03422	1.1
69.21343	3.2
69.21748	1.1
70.46946	0.6
71.01328	0.5
71.04986	5.3
76.88520	0.6
79.82576	0.5
81.03427	1.0
83.04985	1.0
85.02900	8.4
89.03911	2.8
97.02863	1.5
100.07600	0.8
107.04943	1.5
114.88172	0.6
117.03388	5.2
120.90730	0.6
125.51357	0.7
128.08205	0.8
129.05507	1.7
135.04408	11.3
137.05948	0.8
145.02855	8.7
145.03931	1.1
147.06447	0.7
151.03815	0.7
152.87126	0.7
163.03899	100.0
164.04248	3.4
181.04953	3.4
214.06738	0.7
273.07520	1.0
295.13321	1.0
304.05338	0.7
307.08096	1.6
309.09668	1.6
325.09143	5.4
341.13791	0.7
377.15814	2.0
641.35376	1.0
642.34454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01869	1.2
55.05512	2.6
57.03433	10.7
57.56388	0.4
61.02914	4.3
64.67531	0.5
69.03065	0.8
69.03426	10.4
69.09108	3.2
71.01348	1.1
71.04991	52.3
72.05313	0.7
73.02914	4.3
75.04474	7.2
77.49695	0.5
81.03420	1.7
83.04980	11.4
85.02901	100.0
86.03234	0.8
87.04465	1.7
91.03953	4.5
91.05478	1.5
97.02891	7.8
99.04455	2.1
101.06035	0.9
103.03908	1.1
103.05523	0.4
105.07034	0.5
105.98711	0.5
109.02879	1.8
109.27988	0.5
111.04441	6.8
118.59798	0.5
119.04927	1.1
121.06551	0.9
123.04430	1.0
127.03918	6.3
129.05472	44.2
131.04877	0.5
133.06499	0.8
137.05971	16.1
143.04855	0.7
145.04961	5.2
147.06520	32.4
149.05965	2.6
151.07553	2.6
153.05475	0.6
155.07048	2.0
157.06593	0.6
161.06001	2.2
163.06032	5.0
165.05531	3.2
165.07578	1.6
167.07063	1.4
175.07538	0.8
179.07039	6.1
185.06012	0.6
191.07060	1.1
195.06526	0.8
197.08078	1.4
203.07062	2.0
207.06584	0.6
209.08073	0.7
221.08049	4.0
224.98909	0.5
225.07571	0.7
237.07639	0.9
245.07956	0.6
247.09657	7.3
255.08595	5.3
263.09225	1.8
265.10742	4.0
273.09689	4.7
281.10275	0.8
283.11728	1.1
291.10745	1.5
299.11246	0.9
301.12540	0.9
309.11829	9.3
317.12405	0.7
329.34122	0.5
367.06802	0.6
437.21143	0.5
628.12958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31687	0.8
51.02359	0.9
53.03948	7.1
55.01867	10.3
55.05502	11.2
57.03428	8.2
57.07072	1.3
59.05000	1.4
60.43038	0.9
61.02912	5.5
63.24071	0.8
64.12969	0.8
65.03947	1.5
67.05498	25.5
68.99783	4.0
69.03423	46.6
69.07062	11.0
70.06595	2.7
71.01353	1.8
71.04986	15.3
71.41611	0.9
71.47943	0.9
73.02921	6.0
76.56696	0.9
79.05489	16.9
81.03410	51.8
81.07050	59.0
83.01363	1.5
83.04970	11.8
83.08618	9.0
85.02898	74.2
85.06537	7.2
86.09714	1.2
87.00820	22.6
87.04469	4.3
91.03967	1.4
91.05466	18.9
93.07035	23.0
93.07591	1.4
95.01346	2.4
95.04961	6.7
95.08598	48.5
95.09210	2.3
96.08916	1.4
97.02886	46.5
97.06527	14.3
97.10170	4.1
99.04446	15.3
99.08063	5.3
101.06024	1.0
103.03910	1.4
103.05419	1.1
105.01858	18.5
105.07022	22.9
107.04956	3.1
107.08583	10.8
109.02869	49.9
109.06515	7.0
109.10126	8.3
111.04471	5.9
111.08066	4.8
113.02388	1.9
113.09644	1.2
115.03915	8.1
115.05368	1.2
117.01856	1.6
117.06995	5.0
119.04940	3.3
119.08568	24.0
121.02876	2.6
121.06483	5.6
121.10123	8.2
123.04439	3.9
123.08038	6.5
124.03941	2.0
125.02326	1.6
125.05997	1.8
125.09660	2.1
127.03905	75.1
127.07526	1.4
128.04253	1.9
129.01834	4.4
129.07005	3.3
131.08554	6.6
133.04964	4.9
133.06500	4.1
133.10110	16.8
135.04382	1.5
135.08070	4.2
135.11664	8.4
137.05949	2.3
137.09610	2.0
137.13226	9.0
139.03920	1.0
139.07538	2.3
141.01868	5.7
143.08565	3.2
145.04950	14.5
145.06544	1.9
145.10103	3.5
147.02888	2.1
147.04416	3.7
147.08018	3.5
147.11635	1.6
149.06033	2.0
149.09579	1.7
149.13301	2.5
151.03944	1.9
151.07533	14.7
155.08606	1.8
157.10147	2.9
159.02902	9.9
159.08092	2.8
159.11696	3.5
161.05977	1.5
161.09583	1.9
161.13246	33.8
162.13574	1.0
163.07545	1.6
165.09010	1.0
167.07045	2.3
167.14273	1.0
171.08049	1.8
171.11736	2.9
173.09607	1.5
173.11719	3.7
173.13251	2.7
175.03984	1.7
175.07524	1.7
175.11171	1.3
175.14842	1.0
177.03831	1.1
177.09190	1.3
177.12785	3.2
179.14282	37.9
181.10092	1.2
183.11717	1.5
185.13255	1.5
187.06068	1.8
187.11316	1.1
189.03987	2.0
189.09090	2.6
189.12701	2.2
191.14299	1.9
195.13791	1.4
197.15327	11.6
201.12753	1.6
207.06519	2.3
207.13818	2.6
209.13287	1.4
209.15396	3.8
213.03886	6.5
213.14746	2.0
215.16406	3.4
219.13739	1.3
221.15416	2.8
225.14874	3.5
227.14233	1.2
231.04967	9.2
233.15398	2.0
235.05817	1.3
235.16858	1.1
237.14801	6.8
239.16423	3.7
241.15816	1.3
245.06648	1.2
245.15376	2.6
249.06088	1.4
249.14854	2.1
250.02718	1.2
251.16507	3.0
253.07190	1.3
255.15898	1.2
259.16965	3.3
263.16397	4.3
269.15353	3.8
273.06052	2.6
275.16580	1.4
277.17993	4.2
281.17554	3.3
286.04849	1.3
287.16357	14.0
291.06998	1.8
293.17404	2.5
295.10519	1.4
301.07025	2.0
305.17450	39.6
306.17599	1.3
323.18494	100.0
324.18829	3.5
339.07031	1.5
341.19543	73.3
342.19720	2.8
357.08044	1.9
359.20486	8.5
365.19666	1.3
383.20773	1.1
391.17630	1.2
395.42545	1.0
405.06168	1.3
409.18484	2.7
427.19550	2.4
431.20648	1.8
449.21625	2.3
535.21832	3.0
553.22235	4.8
554.22858	1.1
571.23718	4.8
589.23950	1.2
642.29742	1.6
647.96259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.5
55.01865	12.8
55.05510	12.0
57.03436	11.0
59.04984	3.0
61.02937	4.9
65.03873	2.8
67.05501	27.9
68.99785	5.5
69.03063	3.4
69.03428	47.6
69.07068	13.2
70.06620	2.7
71.04994	16.2
71.42645	2.3
73.02906	8.0
78.38676	2.4
79.05491	29.2
81.03414	64.2
81.07053	59.9
83.04975	14.3
83.08627	12.2
85.02904	75.0
85.06535	7.6
87.00835	29.2
91.05480	23.3
93.07040	30.0
95.04959	9.0
95.08602	62.2
95.69833	2.2
96.08933	2.5
97.02888	46.8
97.06525	13.2
97.10162	3.6
98.89397	2.2
99.04446	15.0
99.08092	7.6
103.03916	3.2
103.05453	4.7
105.01861	21.9
105.07038	24.7
107.04955	7.0
107.08612	14.4
109.02875	51.1
109.06516	10.8
109.10175	10.5
109.10802	2.1
111.04417	4.0
111.08070	3.4
117.01842	4.4
117.07040	6.2
118.06519	2.7
119.08575	27.3
120.08095	15.9
121.02855	4.4
121.06511	5.3
121.10127	9.3
122.06059	3.0
123.04405	2.4
123.08055	7.4
127.03909	74.7
129.01846	3.5
129.07039	2.9
131.08568	7.2
133.06497	4.5
133.10133	13.4
135.08029	6.3
135.11688	12.0
136.07578	6.8
137.09625	3.0
137.13245	4.5
139.07498	2.4
143.08542	5.2
145.04958	18.7
147.04419	4.1
147.08040	3.4
148.06461	3.1
148.07567	40.7
149.05986	3.5
149.13304	3.3
151.03922	2.7
151.07552	16.5
153.03157	2.3
159.02872	6.9
159.11710	4.7
161.09676	3.0
161.13255	43.1
163.07571	2.9
166.08614	2.8
173.09558	3.8
173.11751	5.2
173.13217	3.9
177.12791	4.0
179.14307	50.5
189.03947	2.4
189.12845	2.6
191.14264	2.0
197.15347	23.7
209.15332	2.7
213.03836	4.7
215.16351	5.3
219.13792	2.6
221.15298	3.0
223.08745	3.6
225.10326	3.4
225.14853	4.7
231.05014	9.1
237.10201	9.7
237.14880	6.5
239.08200	2.9
239.16400	2.7
245.15260	2.4
248.26160	2.0
249.06090	2.5
252.08658	9.6
253.09717	5.0
255.11261	2.9
255.16089	2.9
263.16409	5.1
265.09720	13.9
267.11105	2.5
269.15274	3.2
275.16531	2.3
277.18021	3.3
281.09177	7.3
281.17456	3.8
283.10815	4.6
287.16437	15.5
293.09109	10.8
295.10645	6.1
305.17450	48.4
311.10184	8.3
321.08725	6.2
323.18521	100.0
327.09735	5.0
339.09824	18.5
341.19574	75.6
353.11258	4.3
359.12305	9.2
359.20605	7.9
371.12415	15.0
400.16318	2.4
401.01532	2.2
405.06207	3.9
406.06470	4.0
409.18341	5.6
427.19852	2.9
446.17395	2.4
453.91431	2.3
474.16452	3.9
506.19205	3.2
519.00702	2.2
534.18701	6.6
535.21918	2.8
548.18982	2.1
553.22406	3.7
566.21179	2.5
571.23444	4.8
578.17603	32.3
579.17291	3.4
610.19897	7.1
642.34064	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	642.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01868	2.8
55.05509	3.5
57.03431	2.5
58.12457	0.9
59.04997	100.0
60.05351	0.9
61.02912	2.3
67.05508	3.1
68.99774	1.4
69.03421	13.7
69.07063	2.7
71.01363	1.1
71.04995	3.5
72.11571	0.9
73.02910	6.9
73.06552	4.6
78.99521	1.4
79.05503	2.5
81.03417	13.6
81.07059	10.4
83.04986	1.2
83.08614	1.8
85.02899	38.4
85.06556	1.6
87.00822	15.9
87.04478	4.4
89.06033	10.5
91.05476	3.3
93.07037	3.2
95.04961	1.0
95.08605	12.8
97.02884	15.4
97.06537	3.9
99.04455	5.1
103.07574	74.3
105.01860	25.1
105.07027	4.0
107.08614	1.5
108.04484	1.7
109.02865	18.1
109.03551	1.4
109.10158	2.0
113.00020	5.5
113.06026	1.1
115.07617	0.9
117.09128	3.1
118.82972	1.0
119.08589	5.8
121.10130	2.2
123.08053	1.0
125.09718	0.9
127.01559	42.2
127.03905	34.0
129.01830	1.4
131.06966	1.0
133.08620	5.8
133.10101	4.3
135.11708	2.1
137.13239	2.5
139.01537	16.4
145.04947	13.6
147.04388	1.3
147.10147	24.3
151.07567	1.9
153.03105	48.0
157.10170	1.0
159.02859	5.0
161.11897	2.2
161.13220	15.4
177.11232	2.2
179.14285	22.1
183.04195	4.9
189.03885	1.2
197.05724	20.3
197.15370	15.8
198.15553	0.9
213.03944	4.1
215.16385	6.6
227.06850	3.4
231.04968	14.2
241.08296	5.5
249.06090	4.0
253.07066	1.7
271.09311	2.7
285.11053	2.6
305.17484	4.0
315.12009	1.0
323.18604	3.1
341.19498	1.5
391.17444	1.9
393.10269	1.4
409.18765	4.7
427.19577	1.2
625.31439	3.5
636.51300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.02385	0.4
53.03938	0.3
53.32596	0.2
61.23696	0.2
64.34260	0.2
64.59089	0.2
69.09475	0.3
69.09872	1.1
72.90869	0.2
73.02901	0.3
77.03945	0.6
79.05497	4.9
87.04465	100.0
87.32021	0.2
88.04810	0.8
89.06017	1.1
91.05475	0.6
93.07041	0.2
95.04971	2.2
98.23483	0.5
103.05465	3.8
105.07027	95.9
106.07368	2.0
121.06505	0.8
131.07048	0.7
131.08540	0.6
133.08612	0.5
139.01517	0.6
147.07974	0.3
177.11230	0.3
191.10527	0.3
209.13295	2.1
219.12265	0.7
223.11160	0.3
224.10292	0.3
225.12738	0.5
251.14366	1.5
253.15814	0.3
269.15234	0.7
297.21832	0.2
313.16443	3.3
327.17322	0.9
329.18829	0.9
373.21539	0.3
417.22501	2.0
552.09564	0.2
642.37280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
51.91269	0.3
53.03949	0.6
56.87062	0.3
63.77443	0.3
69.12296	1.9
77.03918	0.8
79.05481	6.4
87.04461	86.3
88.04786	0.9
88.23819	0.3
89.06017	0.7
91.05471	0.8
95.04970	3.5
103.05450	5.2
105.04506	1.4
105.07020	100.0
106.07373	1.8
106.07961	0.3
117.07027	0.5
121.06479	1.2
122.58971	0.3
131.08553	0.6
139.01506	0.6
147.08023	0.4
168.87367	0.3
205.37779	0.3
209.13193	1.4
225.12682	0.5
251.14362	2.0
313.16318	2.0
327.17325	0.7
329.18848	0.9
417.22620	2.0
473.82040	0.3
477.27924	0.4
519.27386	0.5
562.38910	0.5
642.37335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01875	0.4
59.50430	0.1
65.03932	1.6
67.05505	0.6
68.99787	0.2
69.03411	0.8
69.44636	0.6
71.04959	0.1
73.05652	0.1
73.06451	0.2
77.03943	0.2
79.05498	0.2
80.02614	0.2
81.02960	0.2
81.03414	2.9
85.02897	0.8
89.22662	0.1
93.03407	1.1
95.04967	0.7
97.02886	1.0
98.23470	0.3
99.04429	0.3
103.05443	0.2
105.04517	0.3
107.04938	0.7
108.02089	1.3
109.02863	1.0
110.03645	0.2
111.04446	1.6
121.03911	0.2
123.04420	0.2
124.01548	0.2
125.05986	1.2
127.03899	0.4
131.04939	0.5
133.54288	0.1
134.03613	1.6
135.04401	0.7
136.01550	0.8
136.05161	0.2
137.02328	0.6
141.05472	1.1
145.08386	0.1
147.04427	0.2
151.03900	47.1
151.04990	4.1
152.01022	0.9
152.04259	0.6
153.01781	1.1
154.02629	1.0
156.42236	0.1
161.02353	0.6
163.03938	0.2
164.01123	0.2
165.01790	0.3
167.07008	0.3
169.01245	0.2
169.04956	3.4
170.02065	0.5
178.02615	0.6
181.01326	0.9
181.04919	0.3
182.02089	1.3
183.44110	0.1
185.00891	0.1
185.05898	0.2
186.06783	0.2
187.04019	0.1
197.04445	4.9
197.06218	0.3
198.01610	0.5
200.03157	0.3
213.05479	0.2
214.06293	0.2
241.04909	0.4
242.05722	0.8
252.04102	0.3
253.04964	0.2
258.05197	0.2
269.04440	2.2
270.05206	11.1
271.05728	0.4
273.03888	0.6
281.04288	0.3
283.06009	0.9
285.03888	0.9
285.07001	0.3
286.04715	0.4
287.05457	6.3
288.05865	0.2
293.47925	0.1
295.08084	3.3
297.03931	1.6
298.04691	8.9
299.05399	1.8
300.05804	0.2
301.03455	0.4
301.06866	0.2
302.04160	0.4
313.09256	1.0
315.04947	6.6
316.05753	10.3
317.06064	0.4
331.08081	100.0
332.08472	3.5
498.37180	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	643.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01871	0.4
57.03437	0.3
65.03936	4.2
67.05506	1.5
68.99776	0.4
69.03423	1.1
70.06580	0.5
70.47683	0.2
71.04977	0.3
79.05484	0.4
81.02966	0.3
81.03416	3.3
82.04189	1.3
83.97626	0.2
85.02908	3.5
91.05475	1.0
93.03389	1.1
95.04980	1.4
97.02870	0.7
97.06521	1.1
99.00822	0.3
99.04453	0.5
105.04513	0.3
108.02091	0.7
109.02884	1.1
110.03659	1.6
111.04431	0.8
112.01556	0.7
116.99693	0.2
119.04929	0.7
121.02843	0.5
123.00782	0.3
123.04424	0.7
125.05972	1.1
127.00236	0.3
127.03919	0.3
131.04889	0.4
135.04326	0.3
138.03140	1.1
140.01041	1.2
140.04684	3.1
142.02580	0.7
151.03865	0.2
153.01813	0.3
153.05455	2.9
155.07008	1.3
163.03894	1.8
164.04218	0.4
168.00537	6.8
169.01324	0.6
171.04367	0.3
171.06529	3.8
175.60211	0.2
181.04947	75.4
182.05243	1.3
183.02881	7.7
185.00923	0.2
186.01553	3.1
187.03915	0.5
199.05972	2.5
207.02887	0.4
213.00281	0.5
257.04340	0.4
258.05206	1.4
268.03677	1.0
269.04318	0.5
285.03818	1.2
286.04700	22.4
287.05099	0.9
299.05450	0.5
301.07047	100.0
302.07391	3.8
304.04938	0.2
305.05490	0.3
325.09164	4.8
326.09286	0.3
343.10287	1.2
349.70856	0.2
637.28967	0.2
644.16553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
51.54514	0.1
53.03930	0.6
57.03421	0.3
60.27501	0.1
65.03599	0.2
65.03937	4.1
67.05502	1.3
68.99776	0.4
69.03429	0.9
69.27599	0.8
73.02906	0.2
77.03912	0.2
79.05473	0.2
81.02962	0.2
81.03416	3.4
82.04189	1.6
84.02111	0.3
85.02896	3.2
91.05461	0.7
93.03413	0.9
95.04963	1.3
97.02885	0.5
97.06523	0.9
99.00812	0.2
99.04466	0.4
102.22915	0.1
104.24615	0.2
105.04470	0.2
108.02072	0.8
109.02856	1.1
110.03657	2.0
111.04417	0.6
112.01569	0.6
114.12733	0.2
119.04939	0.4
121.02867	0.5
121.04041	0.1
123.00822	0.3
123.04410	0.6
125.02351	0.3
125.05961	1.2
127.00259	0.4
127.03873	0.5
131.04912	0.2
137.02309	0.3
138.03139	0.9
140.01022	0.9
140.04660	3.3
142.02545	0.5
153.01848	0.3
153.05447	3.2
155.07033	1.3
168.00533	8.1
169.01276	0.4
171.06529	3.3
181.04938	79.5
182.05275	1.4
183.02882	7.0
184.03496	0.1
186.01569	3.6
199.06000	2.5
234.45483	0.2
258.05231	1.8
259.05722	0.3
268.03693	1.1
269.04495	0.6
284.28632	0.2
285.03848	1.3
286.04691	22.7
287.05038	0.8
301.07034	100.0
302.07376	3.0
325.09171	4.9
333.64551	0.2
343.10440	1.4
355.84973	0.2
476.59692	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	643.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01860	0.4
57.03442	0.3
61.02912	0.4
68.99781	0.3
69.03430	2.0
71.04991	0.4
73.02917	0.5
81.03416	2.2
85.02904	3.2
87.00816	1.5
89.03905	1.7
91.05472	0.5
97.02886	1.7
99.04457	0.6
105.01865	0.4
109.02879	1.9
116.04980	18.7
117.05772	5.7
118.06548	0.8
124.03848	0.3
127.03912	1.8
132.04459	0.6
133.05205	0.3
134.06018	6.7
145.02594	23.2
148.07567	26.3
149.07910	0.6
157.07596	0.5
159.02910	0.9
163.03635	1.5
173.03220	7.1
186.05254	100.0
187.05632	2.0
192.06564	4.0
204.06316	1.4
291.10999	0.2
319.10681	0.4
351.13071	0.4
395.12106	4.4
498.75308	0.3
519.22369	0.4
520.21857	0.8
624.61707	0.3
643.25507	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	643.1864
Annotation	Brartemicin
Peak:m/z	Relative Intensity
50.04057	0.2
51.02386	0.3
53.03938	0.8
55.01865	1.1
56.79709	0.2
57.03411	0.3
65.03934	2.4
67.05506	1.3
69.03419	1.3
69.38050	0.9
70.03664	0.2
70.06566	0.2
70.36539	0.2
71.04977	0.4
73.02908	0.4
77.03924	0.3
81.02959	0.3
81.03410	4.8
85.02889	3.1
85.43195	0.2
91.05409	0.2
93.03392	2.5
95.04984	1.1
97.02877	2.2
99.04437	0.6
103.03947	0.3
105.03388	0.3
105.04507	0.5
108.02095	2.0
109.02871	2.5
109.06496	0.2
110.03651	0.5
111.04421	2.9
119.04957	0.3
121.02855	0.5
121.04007	0.2
123.04430	1.3
125.05994	2.7
127.03884	1.2
127.20922	0.2
136.01500	0.4
137.05946	0.4
139.03906	0.2
141.05461	2.0
145.04967	0.4
145.06487	0.2
147.04390	1.2
149.62498	0.2
151.03893	100.0
151.04970	8.0
152.04228	2.0
153.01859	0.2
161.05971	0.4
163.03900	1.9
165.05455	1.3
169.04933	9.7
171.04425	0.6
175.03851	1.4
177.05530	0.2
181.04948	3.8
182.66536	0.2
187.03906	0.7
189.05467	1.0
193.04942	8.4
201.05499	0.3
203.07024	0.2
205.04953	1.4
207.02907	0.4
207.06477	1.9
211.05984	6.5
213.05507	0.4
214.18121	0.2
217.04883	1.5
219.06477	0.4
221.04492	0.4
221.63022	0.2
223.05965	0.7
229.05011	0.9
231.06506	0.8
235.05988	6.2
236.06236	0.2
241.04958	0.7
243.06526	0.3
247.05986	4.9
248.06549	0.2
253.07127	0.6
255.06511	0.2
259.05978	3.9
265.07117	1.1
271.05954	0.6
273.07675	0.3
277.06976	3.0
283.05960	0.3
287.05521	0.4
289.07037	1.0
295.08112	6.6
296.08536	0.4
297.07544	0.3
301.06958	1.4
313.09183	6.0
314.09567	0.2
316.76791	0.2
319.08038	0.6
325.07050	0.8
331.10248	1.0
337.09012	0.5
343.08035	0.6
355.08041	0.4
377.82693	0.2
385.09039	0.6
403.10040	0.4
421.11118	0.4
436.70114	0.2
475.12103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
68.05039	1.1
68.99803	2.4
69.09752	0.9
69.20964	3.4
69.21369	2.4
73.68125	0.8
75.48353	0.9
79.05502	1.0
81.03437	1.2
83.04974	1.1
91.05479	2.8
95.01333	0.9
95.04954	3.2
96.04452	1.1
103.05466	39.9
105.03381	3.1
105.04515	1.4
105.07046	1.7
107.04966	3.1
109.02885	1.8
110.02407	2.6
115.05463	1.5
120.04507	1.1
123.00784	1.3
131.04924	100.0
132.05260	4.0
133.02895	5.1
135.04388	1.4
136.03873	2.2
138.01857	2.5
138.05481	1.3
140.03419	4.3
148.03952	2.5
150.05487	1.6
151.03896	3.5
152.03448	1.8
155.04997	1.3
156.02983	1.4
156.06584	1.2
157.01331	1.1
160.03995	1.0
161.02327	5.6
164.03386	2.5
166.01364	3.6
167.02126	5.8
168.02924	33.8
169.01334	2.8
173.05991	1.7
176.03452	1.3
178.01341	6.0
178.04984	1.9
179.03401	3.5
185.03206	2.5
188.03340	1.4
189.01884	1.3
190.01279	1.2
192.02882	2.8
193.99371	1.0
194.00810	6.1
194.04544	5.2
196.02422	7.9
204.02921	2.7
206.04457	8.0
207.02916	1.8
207.08145	1.4
216.02940	2.9
218.00815	1.8
219.08064	1.6
220.02380	2.8
222.03954	4.5
224.05402	1.5
225.05617	1.2
230.04410	1.2
232.02252	1.3
234.03952	3.9
235.07256	1.0
240.02910	4.1
241.04858	2.2
244.02399	1.4
258.03970	4.7
262.03403	1.1
263.06769	1.4
266.08041	1.2
270.07431	1.3
271.08453	3.7
272.09152	31.1
282.07489	3.1
282.11041	1.1
288.01285	7.9
296.09103	1.3
298.07004	6.3
300.05063	1.4
306.02527	7.3
308.09125	5.1
310.10742	8.2
314.03308	1.3
316.06464	1.3
322.07086	1.3
326.02945	3.3
328.04614	1.6
338.10162	2.7
344.04132	2.2
344.09003	1.3
348.08594	1.9
355.08090	1.4
362.10202	3.7
376.07883	1.1
378.05600	1.6
390.09702	1.8
392.07632	7.3
402.09973	1.1
404.11322	1.3
404.38116	1.1
407.12262	1.4
410.08682	29.4
411.09256	2.6
412.08136	1.6
414.09601	1.2
418.04080	1.4
430.09268	2.5
448.10065	2.1
457.10382	1.1
458.08456	1.5
475.11160	5.5
476.09656	4.4
493.11850	9.5
496.13885	36.9
497.14078	3.4
503.10861	1.5
504.09024	1.2
511.11420	4.2
521.12451	1.5
522.10254	15.2
524.12848	2.7
525.13422	8.5
534.15613	6.8
539.12622	1.6
561.16333	1.5
562.14954	14.5
579.17365	10.2
580.16089	2.0
595.16992	1.7
597.18665	12.2
607.16699	2.0
608.15222	3.5
625.17407	1.9
626.16669	13.2
643.19446	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	643.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98119	0.9
60.05643	1.2
65.79552	1.0
68.99786	2.6
69.12003	6.8
74.34903	0.9
86.04165	0.9
91.05473	1.5
95.01317	2.2
95.04958	1.3
101.10922	1.0
103.05466	26.1
105.03391	1.4
105.04497	1.1
110.02400	3.2
127.03950	1.1
131.04921	100.0
132.05298	1.8
137.02327	2.0
138.01860	2.2
140.03413	2.4
147.00790	2.5
151.00204	1.1
152.03418	1.6
155.03369	2.1
156.02916	1.8
162.05492	1.3
163.03960	1.5
164.03499	1.4
165.01797	2.3
167.02155	2.5
168.02893	11.2
169.01334	5.4
173.05971	1.0
178.01314	5.1
179.03398	2.2
180.02875	1.7
182.99310	1.1
185.03255	1.6
190.01363	2.0
190.04826	1.5
192.02931	1.7
193.01250	1.0
194.00845	2.4
194.04449	6.0
196.02419	5.7
199.03937	1.7
200.03381	0.9
204.02951	2.4
205.06528	1.1
208.02261	1.4
213.05469	2.1
215.26714	1.0
218.00899	2.1
220.02386	5.0
222.03955	1.2
224.42641	1.0
225.05516	1.3
230.00818	1.5
232.02489	1.3
233.05946	1.5
241.04947	2.6
241.08760	1.2
246.00325	1.6
246.03993	2.2
250.23624	1.0
269.04434	2.9
270.07532	1.7
271.08441	1.8
272.02005	2.1
272.09171	11.7
282.07504	2.8
288.01306	7.7
290.02930	2.0
294.07462	1.4
296.01953	4.9
298.07343	1.8
298.10696	6.1
306.02454	4.8
314.03003	2.8
322.07153	2.4
324.08658	2.9
330.02643	1.1
340.00836	6.2
340.10703	2.5
354.09647	1.3
356.04065	1.3
358.01785	1.7
372.10812	1.7
376.08044	1.8
392.07632	6.2
400.08188	2.6
410.08691	18.7
418.09146	7.8
434.08752	1.5
444.07004	11.6
460.10135	3.0
462.07620	3.0
472.06451	3.1
476.09567	2.9
494.10959	7.8
496.14001	15.2
504.09207	3.2
521.11865	3.3
522.10162	4.8
538.15021	7.4
539.14240	1.1
540.13635	1.1
548.13293	15.8
549.12793	1.3
566.14429	8.4
576.12720	4.0
580.15607	7.5
583.16705	1.4
598.08508	1.6
598.17163	16.7
607.16968	1.5
608.15320	3.3
625.18219	15.7
626.16467	10.8
643.19135	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	643.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82497	1.4
51.48417	1.6
55.01871	2.4
56.44279	1.4
57.32002	1.5
65.03934	3.0
67.05511	3.8
68.99772	11.1
69.39471	1.5
69.95909	3.7
69.96235	1.4
77.03919	2.1
79.05500	2.6
81.03415	5.0
83.01329	9.8
83.49979	1.3
84.04489	4.3
85.02874	1.9
91.05471	10.2
93.03392	3.4
95.04964	10.4
96.04454	1.6
100.03958	14.7
103.05457	33.0
105.03385	4.9
105.04501	1.5
105.07016	4.3
109.02869	7.0
110.02396	4.5
110.06026	27.6
111.04427	1.5
115.05450	3.2
117.07030	1.6
119.37725	1.4
121.02852	24.3
130.62196	1.5
131.04910	89.5
132.05260	2.1
133.02794	3.2
135.04424	2.7
135.78278	1.5
137.02354	7.9
138.01886	3.3
138.05505	12.2
139.00221	1.6
140.03380	8.8
145.02794	1.9
147.00757	5.6
148.03886	2.3
149.02371	2.4
150.05455	4.7
152.03407	2.5
153.06929	2.3
154.03850	1.5
154.04973	8.0
155.04869	1.4
160.03972	3.8
161.02277	10.2
163.03827	3.5
164.03438	4.3
165.01810	11.4
166.01323	2.6
166.99724	1.7
167.02136	6.6
167.03407	2.9
168.00629	10.7
168.02905	38.2
169.01337	13.1
171.04327	2.0
176.03438	2.7
177.01819	6.8
178.01335	3.9
178.04895	9.5
179.03372	4.7
180.02919	1.8
181.01328	1.6
185.00818	9.0
185.03186	3.8
185.06039	2.9
186.01569	5.0
187.00296	3.6
187.02330	1.5
189.01817	20.3
190.01306	9.5
190.99663	3.2
195.02855	9.9
195.07954	1.7
198.09123	2.5
204.02873	11.4
205.01309	26.5
206.04469	47.6
207.02895	17.3
207.04747	2.4
208.02393	25.4
209.00819	4.2
214.99730	5.2
220.02406	2.1
222.03969	9.5
223.02382	8.4
224.05537	6.0
232.02371	28.4
233.00792	13.4
234.03804	2.6
237.09122	2.2
238.08453	2.5
244.02380	2.3
249.05151	1.8
250.03419	17.6
251.01863	5.6
251.07014	3.8
258.04095	1.8
265.08557	3.1
268.04501	8.9
270.07547	3.7
271.05960	7.5
271.08432	5.3
272.06589	4.4
272.09177	25.5
273.07449	21.7
280.06076	2.3
281.07990	2.9
282.07721	3.7
291.06488	6.0
293.08051	24.9
294.07468	13.3
295.05957	3.5
298.03537	1.9
308.09106	5.2
309.07568	10.6
310.10715	100.0
311.11008	3.5
319.05890	2.1
326.10312	6.7
336.08572	24.6
337.06616	7.5
353.11279	15.8
354.09625	59.8
355.07904	12.5
364.20935	1.8
372.10651	7.1
375.09396	3.7
384.12082	2.8
503.10483	2.1
519.57831	1.5
521.11829	5.2
590.14203	5.4
607.17145	2.2
643.10071	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	643.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01867	2.1
65.03930	2.2
67.05504	3.5
68.99785	9.8
69.66351	3.8
81.03405	3.4
83.01334	7.0
84.04498	1.8
90.60481	1.6
91.05457	7.8
93.03343	1.5
95.04973	5.3
96.04522	2.2
98.22729	2.2
100.03979	10.0
103.05464	23.1
105.03402	2.0
105.07012	3.5
109.02887	4.4
110.02384	2.3
110.06032	18.7
112.03975	1.8
115.05458	7.9
121.02857	18.4
126.18018	1.8
131.04919	100.0
132.05234	3.8
133.02945	2.1
137.02341	5.3
138.01863	3.3
138.05486	9.0
140.03427	6.0
142.06531	2.3
147.00783	2.7
149.02304	2.2
150.05544	2.1
154.05006	5.6
155.08574	1.8
160.03969	3.5
161.02364	6.5
163.03830	2.3
164.03378	3.2
165.01842	5.8
166.01338	3.9
167.02130	6.5
168.00551	4.6
168.02895	28.7
169.01317	9.0
177.01859	5.6
178.01357	2.0
178.05009	7.9
179.03435	3.6
179.08652	2.3
181.01320	1.6
181.06442	1.8
185.00858	3.7
185.03224	1.9
185.05997	3.6
186.01591	3.7
187.00359	1.7
188.03438	2.5
189.01840	10.2
189.07198	1.7
190.01282	8.4
190.99730	1.7
191.08566	2.1
195.02913	6.1
199.03941	3.6
204.02927	9.1
205.01318	16.9
206.04463	31.3
206.06334	2.6
207.02873	8.8
208.02415	15.6
212.07101	3.8
214.99721	2.7
218.00851	2.6
222.03951	8.4
223.02359	4.6
224.05516	3.6
227.07059	2.1
230.00957	1.7
232.02373	20.1
233.00824	9.4
235.07501	5.5
238.04929	2.8
241.05002	4.7
242.04483	2.7
249.05133	2.5
250.03404	11.5
251.01958	3.3
256.06137	6.5
263.06964	5.2
264.10077	2.2
268.04364	3.8
270.03891	7.6
271.06030	5.7
271.08405	4.4
272.06628	2.1
272.09192	19.0
273.07556	14.7
280.06052	19.3
281.08017	2.3
282.07669	3.1
291.06473	4.7
292.09485	2.0
293.08115	14.6
294.07785	8.6
294.10922	2.3
295.05591	2.0
298.03458	21.6
298.06619	2.9
308.09067	1.9
309.07626	5.5
310.03311	2.0
310.10706	66.0
311.11227	2.1
312.08276	1.6
320.09207	2.5
322.07095	3.4
326.02872	6.0
326.10251	1.9
336.08643	19.6
337.07086	6.3
348.04987	1.8
353.11221	10.6
354.02582	3.7
354.09637	38.2
355.07864	7.3
372.10754	3.1
372.87305	1.6
374.10138	6.9
375.09406	2.5
384.08051	2.1
384.12354	25.4
386.10272	1.9
402.09656	18.6
430.09149	22.2
440.07666	1.7
458.08789	6.4
486.08160	13.7
521.11749	3.6
522.14813	1.7
526.14630	1.8
534.15601	2.0
562.14417	4.8
563.17670	2.4
589.16113	3.6
590.14392	78.4
591.14789	6.5
592.14191	2.2
607.17035	23.0
608.15814	4.6
625.18201	3.3
642.45868	6.8
643.18958	3.6
643.46924	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	643.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01652	2.9
70.76614	0.9
71.28656	0.9
76.83694	1.1
103.03959	3.0
103.05427	1.4
105.07036	3.6
131.04912	1.0
147.08208	1.0
150.88905	0.9
221.70630	0.9
397.12946	1.5
410.13782	2.5
411.14325	7.2
412.15042	4.4
413.15985	1.9
423.14279	1.6
424.15793	2.1
425.16296	11.0
426.16809	10.5
427.17612	1.8
437.16205	1.6
438.13232	4.0
439.13586	13.2
440.19360	4.3
441.19321	27.7
442.19421	4.5
452.14462	4.6
453.15210	14.9
454.15948	4.8
466.16516	1.4
467.17111	24.0
468.17715	14.3
469.19003	9.5
470.18719	1.5
481.14703	13.9
482.15701	6.0
485.17847	1.3
495.16843	3.9
496.17035	16.9
497.17682	2.8
509.18454	1.6
510.18372	1.5
512.20898	1.3
514.22852	1.4
527.22870	1.9
541.21149	1.0
555.22363	22.6
556.22473	3.1
583.21875	100.0
584.22174	12.0
587.25153	1.3
611.21259	1.2
615.24402	6.9
643.23840	65.8
644.23920	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	643.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74637	0.3
69.97486	0.7
69.97849	0.6
87.04488	0.6
96.54669	0.3
98.22852	0.3
105.07037	2.1
106.07366	0.5
184.70741	0.3
185.51424	0.3
259.50946	0.3
272.09183	0.3
290.04666	0.3
361.83139	0.3
440.69498	0.4
476.97504	0.3
481.73071	0.3
493.27377	0.4
643.25238	100.0
644.25616	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	643.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84776	0.9
57.03421	0.8
58.13664	0.8
67.05514	0.8
69.03427	0.8
69.07076	0.9
69.31602	3.9
79.05482	2.0
80.04992	0.8
81.07041	1.1
81.47173	0.7
87.04463	1.4
89.06023	4.2
91.05480	2.5
93.07034	3.6
94.06567	5.3
95.04959	1.4
95.07333	2.5
96.08122	7.9
97.06527	1.1
103.05488	2.0
108.08104	7.1
110.09669	14.0
119.04948	1.2
120.08102	10.9
121.02873	2.2
122.06056	1.6
124.07571	3.1
127.01582	1.2
133.08582	2.3
136.07573	8.8
138.09129	17.9
139.01575	0.8
144.04408	1.0
146.06050	1.0
147.04387	2.5
148.07550	3.0
153.03009	0.9
160.03893	0.9
162.05449	1.1
166.08630	16.8
172.03935	3.5
173.02275	0.7
190.04971	3.2
197.10709	1.0
204.06612	3.8
207.09062	0.9
208.09897	0.8
209.10764	1.2
211.08728	1.3
221.10704	1.0
222.11389	0.9
222.25766	0.7
223.08630	1.9
225.10258	2.0
227.11714	1.6
235.08635	5.1
236.09456	3.8
237.10201	12.3
238.10989	7.9
239.11664	4.4
247.06430	0.9
247.08684	4.5
248.09447	6.8
249.10187	15.1
249.58304	0.7
250.08533	0.8
250.10988	21.5
251.08118	1.2
251.08838	1.2
251.11760	16.7
252.09149	0.9
252.12424	2.7
253.09509	1.6
253.13496	0.9
261.10236	8.4
262.10977	6.5
263.08243	2.4
263.11774	36.7
264.08932	3.2
264.12320	4.3
265.09744	6.2
265.13290	4.2
266.10431	1.3
267.11273	4.4
269.12894	2.3
271.10684	1.2
273.12195	1.1
275.08163	0.9
276.08728	0.9
277.09784	7.6
278.10400	2.4
279.11273	34.1
280.11737	1.7
281.09375	1.2
281.12820	4.6
282.09961	3.8
283.10718	3.5
284.11429	1.3
285.12210	1.6
287.05560	0.9
287.13837	1.9
289.09811	3.8
290.10535	1.2
291.11243	15.0
292.11932	2.1
293.09573	1.6
293.12833	5.0
294.09937	1.2
295.10727	5.4
295.13910	1.3
296.11530	2.2
297.12283	4.3
307.10785	14.7
308.11230	1.1
309.12341	9.9
310.12863	1.0
311.13882	3.6
313.12137	1.2
317.09137	1.4
319.10794	4.1
321.12177	1.9
323.10178	3.3
323.13898	5.0
325.11829	7.6
327.13443	1.4
328.14368	1.7
335.10226	7.0
336.10968	2.9
337.11758	24.2
338.12314	0.9
339.13348	1.1
340.14459	1.4
341.15347	1.3
342.12283	1.4
342.15991	2.7
343.13043	1.5
355.12820	14.0
356.13715	3.1
357.14438	20.1
357.18295	1.1
358.15277	1.9
361.29459	1.1
367.12863	19.7
368.13657	4.1
369.14526	7.6
370.15283	3.8
375.19412	1.0
382.11871	1.0
385.13635	1.5
397.38492	0.9
398.14920	1.5
399.15643	2.4
400.16541	1.2
402.18307	1.1
403.18909	4.3
412.16370	1.0
414.18686	1.2
416.16074	2.2
429.16699	1.0
432.19022	1.8
443.16031	0.9
444.19067	1.1
446.17081	2.5
447.17523	1.1
458.17014	5.8
460.18555	1.9
476.21100	1.0
488.17868	3.3
489.18982	1.1
490.19769	10.3
491.19812	1.2
492.20920	2.4
494.23456	1.2
502.19421	1.9
504.21213	1.8
520.20746	100.0
521.21350	15.8
522.22308	78.9
523.22809	3.9
593.24133	1.0
611.24982	10.4
625.26501	1.4
643.27942	2.1
672.83392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
59.04991	1.9
65.03933	2.2
67.05493	1.8
70.00231	0.9
73.02903	2.7
73.06577	1.3
79.05487	1.7
81.05775	0.9
82.06582	1.2
87.04456	7.0
89.03899	1.0
89.06029	7.7
91.05482	3.1
93.05795	1.0
93.07039	3.0
94.06580	5.7
95.07313	2.6
95.08555	1.1
96.08130	8.4
97.02885	1.2
97.06487	1.0
103.05443	1.1
103.07544	1.2
105.07000	3.8
106.06555	1.7
108.04472	3.4
108.08114	10.8
110.09673	10.8
116.04958	3.7
118.06552	1.2
119.04893	1.3
120.04440	4.0
120.08118	8.2
122.06070	5.1
124.07567	9.2
127.01538	1.1
132.95319	0.9
133.08572	3.4
134.06003	4.4
136.07558	12.0
138.05502	1.5
138.09125	13.0
139.01564	2.0
144.04436	6.2
146.05997	6.8
146.09531	1.0
147.04401	3.2
147.10173	1.0
148.07541	3.5
152.07054	2.7
153.03130	1.6
158.09601	1.1
160.03888	4.6
162.05502	4.8
164.07077	1.4
166.08640	13.3
172.03925	29.4
172.07666	1.2
174.05513	1.3
176.07076	5.2
182.09644	1.4
184.09879	1.2
190.04977	22.3
197.10692	3.8
199.08672	1.1
199.12317	2.8
204.06538	47.2
205.06833	1.8
207.09099	1.3
208.09727	2.8
209.10597	1.5
210.07590	1.2
210.09399	1.4
210.11449	1.6
211.08635	3.6
211.12230	1.0
212.07175	1.5
212.09360	3.2
213.10266	1.1
224.09378	1.8
225.06769	1.1
225.10219	12.0
226.10780	1.8
227.11757	15.1
234.11426	1.2
236.09383	2.0
237.10165	2.8
238.10938	2.2
239.11754	5.6
241.09709	2.3
241.13319	1.0
243.10962	1.1
249.10237	3.1
251.11777	2.7
252.08810	1.2
253.09750	7.0
254.10432	1.3
255.11212	3.0
257.12891	1.1
263.08109	1.8
264.08932	4.4
265.09659	2.2
266.10629	1.1
267.11206	3.8
269.09805	0.8
269.12790	21.5
271.10770	13.9
273.12451	6.7
277.09500	2.5
279.11301	4.5
281.09216	1.4
283.10693	5.2
284.11319	5.7
285.12387	7.1
286.13110	1.6
287.11096	1.8
287.13919	18.5
289.13077	1.6
293.09271	1.3
295.10617	2.2
297.12326	10.4
299.13947	4.7
300.11322	1.3
301.12180	1.2
307.10684	1.6
312.15018	1.9
313.12039	3.7
314.12848	3.2
315.13708	2.2
316.10922	1.7
316.14383	3.0
323.10199	8.3
325.11807	27.2
326.12527	1.2
327.13370	3.9
327.17041	1.9
328.10791	3.4
328.14288	3.4
329.15073	1.9
330.12292	1.1
330.15982	3.0
339.13739	1.6
340.10797	1.3
340.14603	1.3
341.11530	2.9
341.15295	1.2
342.12366	9.4
342.16031	1.5
343.12930	8.6
344.13736	2.1
354.12204	1.4
355.13461	2.6
356.13901	7.9
357.14438	12.7
358.15356	4.3
367.13083	1.4
370.15662	7.0
371.16324	1.7
372.17526	1.4
376.16129	1.2
378.17853	1.4
382.11499	5.3
383.12558	4.1
384.12891	4.4
385.13812	2.3
386.14764	3.2
386.18719	4.0
390.18015	2.8
398.14914	23.1
399.10431	1.7
399.15720	31.8
400.16153	4.0
402.18127	1.1
404.16010	5.6
412.16577	2.5
414.17953	5.7
416.16006	21.6
417.16336	1.3
422.16867	3.3
428.15887	3.6
430.17426	2.5
440.15933	8.2
443.15103	1.2
446.17096	17.7
447.17123	1.9
448.18542	1.4
458.17090	49.4
459.17261	2.3
460.18701	1.1
471.52872	1.0
490.19818	10.4
533.42944	1.1
539.26147	1.2
552.23602	1.4
565.24414	1.8
567.25647	3.6
569.23920	8.6
583.25208	3.0
593.23907	10.0
611.24963	100.0
612.25269	6.7
642.45752	1.2
643.30060	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	644.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.2
57.03439	4.5
57.37334	0.6
58.98448	0.5
59.04992	0.6
61.02928	5.4
67.05499	6.4
69.03412	2.3
69.07061	2.6
69.16600	1.2
69.16991	1.6
70.06604	0.9
71.04977	2.3
72.08127	0.6
73.02901	2.4
76.94059	0.5
79.05470	5.9
81.03415	24.7
81.07047	7.8
83.04960	5.1
83.08617	9.4
85.02901	14.4
86.09720	0.6
90.05473	0.5
91.03958	4.4
91.05469	9.5
93.07042	4.1
95.04955	10.1
95.08605	2.1
97.02889	4.2
97.06545	1.1
97.10143	0.8
99.04451	0.6
105.07030	6.0
107.04942	2.5
107.08581	2.4
109.02893	0.7
109.06501	1.1
109.10147	1.0
111.04430	0.9
111.08083	4.5
113.06031	1.0
119.08580	7.6
121.06464	0.7
121.10109	3.6
123.08059	0.9
127.03918	2.4
129.07013	3.5
131.08539	3.8
133.06467	1.1
133.10115	3.6
137.09552	0.7
142.07715	1.1
145.04948	1.6
147.08014	0.9
147.11687	6.4
149.09602	2.3
157.10123	6.6
163.06021	3.9
163.07240	0.7
165.12766	1.1
173.45364	0.6
175.11191	6.2
175.83427	0.5
177.05511	0.8
193.12222	23.8
209.07950	0.7
211.13280	16.7
267.15903	6.2
285.16940	100.0
286.17407	4.0
311.12717	0.6
328.12506	0.6
429.21078	2.1
447.22079	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	644.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
54.43228	0.9
55.01883	1.1
55.05510	4.3
57.03433	6.3
60.44913	1.0
61.02929	5.9
67.05504	6.2
69.03428	2.9
69.07040	2.0
70.06579	2.2
71.04993	1.5
73.02910	3.1
73.15257	0.9
78.93450	0.9
79.05475	7.0
81.03416	41.5
81.03895	2.0
81.07053	7.4
83.04984	5.5
83.08614	11.2
85.02903	16.2
86.09712	2.2
91.03949	4.9
91.05454	8.4
93.07054	4.4
95.04965	13.6
95.08608	2.0
97.02882	7.3
97.06518	1.4
97.10146	1.0
105.07027	6.1
107.04956	3.8
107.08595	1.8
109.02862	1.5
109.06541	1.3
111.04453	1.7
111.08073	7.5
119.08576	5.7
120.76208	1.0
121.02873	2.5
121.10139	3.8
123.04426	0.9
127.03931	3.0
129.07010	3.9
131.08548	3.8
133.06485	1.2
133.10149	4.0
137.05978	2.4
137.09637	0.9
145.04956	2.7
147.04439	1.5
147.08073	1.4
147.11697	7.5
149.09669	2.0
157.10132	7.4
161.06004	1.2
161.09523	1.1
163.06044	3.4
165.12773	1.4
175.11191	9.0
187.07460	1.0
193.12230	34.7
198.64436	1.0
211.13287	21.5
229.14207	1.3
235.13333	1.6
267.15900	18.1
285.16953	100.0
286.17212	3.7
309.17084	4.7
318.60989	1.1
319.15561	1.0
363.17871	1.2
375.18195	1.2
393.18924	1.5
411.20557	1.1
429.21173	7.5
447.22171	2.2
565.58350	1.0
645.30817	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01873	1.6
55.05509	12.5
57.03436	1.2
57.07079	2.7
59.04980	0.5
61.02911	1.4
67.05500	1.1
69.03429	5.7
69.07063	21.9
69.59832	1.3
71.04991	0.9
71.08638	2.0
73.02913	1.3
73.06543	0.5
73.28814	0.3
79.05468	0.4
81.03418	5.4
81.07045	0.8
83.08121	0.6
83.08614	11.6
85.02901	12.2
85.03416	0.7
85.10169	1.7
87.00821	4.6
87.04465	2.9
89.06026	59.9
90.06388	0.4
91.05453	0.5
95.08595	1.0
97.02891	4.2
97.10162	14.9
98.23437	0.4
99.04467	1.9
103.03912	0.8
105.01860	2.5
107.07057	5.0
109.02878	4.7
109.10171	0.8
111.11708	8.3
117.01839	0.4
117.09108	0.4
119.84886	0.3
125.13276	1.1
127.01573	0.4
127.03912	6.8
129.01794	0.9
130.08601	0.5
133.08595	19.7
145.04945	2.4
147.02872	0.4
147.04337	0.4
151.09650	3.8
159.02872	2.5
167.49846	0.4
177.11234	6.0
185.18974	2.2
195.12267	23.7
196.12535	0.5
213.04021	0.4
229.21605	1.0
231.05048	1.3
256.68979	0.4
259.23108	0.4
273.24252	3.7
287.05399	0.4
291.25366	0.9
298.20227	0.8
317.26840	1.0
335.27777	1.0
357.14050	0.3
361.29526	5.4
379.30505	100.0
380.30887	4.4
443.42365	0.3
523.23212	0.6
546.24701	0.4
573.32916	0.4
627.38336	0.4
644.31494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
54.01196	0.5
61.05014	0.5
71.20996	0.8
75.76469	0.5
77.03930	0.9
79.05489	4.6
81.24284	0.6
86.88593	0.6
87.04454	2.5
89.06026	17.5
91.05469	1.7
93.07052	1.8
95.04973	3.0
103.05464	4.3
105.07022	100.0
106.07348	1.8
119.04956	0.8
119.08527	1.1
121.06493	12.0
131.08563	1.3
133.08597	13.4
147.08051	2.1
165.09102	4.4
177.11224	2.5
209.11642	1.0
209.13359	1.1
212.68196	0.6
225.12759	2.4
227.12717	1.7
251.14313	2.4
269.15363	2.0
271.15567	1.1
313.17920	0.8
315.17984	25.1
316.18329	0.8
329.18774	0.9
343.74463	0.6
419.24255	25.3
420.24576	1.5
523.30548	3.5
527.01764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39117	0.4
55.05505	2.6
57.07072	37.8
59.05009	0.9
67.05503	1.1
69.07062	3.2
69.51524	1.7
71.08627	27.5
73.02917	1.0
73.06551	9.6
77.71179	0.5
79.05489	1.1
81.07029	1.4
83.08611	2.6
85.10176	17.5
87.04462	10.4
89.06025	100.0
91.05474	1.2
91.07569	1.2
93.07037	0.8
94.09092	0.5
95.04974	0.6
95.08603	0.5
97.10158	4.5
99.11728	3.4
105.07021	12.7
106.07364	1.0
107.07053	2.7
109.39261	0.4
111.11714	2.9
113.13276	2.4
117.09129	7.9
127.01582	1.4
127.14829	1.2
129.25014	0.4
130.08627	1.1
131.07022	2.3
133.08595	52.5
135.10181	0.9
153.03125	1.2
161.11726	2.1
169.19492	4.2
175.09662	1.7
177.11205	22.8
197.05960	0.7
213.22055	3.1
219.12355	0.6
221.13806	3.6
223.15364	0.8
239.14938	1.2
257.24716	7.9
265.16498	1.2
283.17520	1.7
301.27289	4.3
309.18994	0.8
327.20197	0.7
353.21738	0.5
410.84561	0.5
441.12051	0.6
459.28226	2.3
529.38550	0.8
627.46777	4.6
644.49280	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
57.07071	30.7
59.04996	0.9
67.05498	0.6
69.07059	2.4
69.87366	1.3
71.08627	26.8
73.02917	1.1
73.06549	9.8
79.05479	0.9
79.74620	0.4
81.07026	1.3
83.08605	2.5
85.10175	16.2
87.04462	8.3
89.06025	100.0
90.06355	1.0
91.05471	1.4
91.07584	1.3
93.07042	0.8
95.04974	0.8
95.08628	0.7
97.10160	4.5
99.11721	3.8
103.05474	0.5
105.07021	17.4
105.07734	0.9
106.07341	1.2
107.07049	3.4
109.06481	0.6
109.10143	0.4
111.11713	3.2
113.13268	2.9
117.09121	8.5
121.06453	0.7
125.13292	0.9
127.01569	1.2
127.14808	1.2
130.08621	2.2
131.07024	3.5
131.08609	0.9
133.08594	57.7
135.10139	1.2
139.01495	0.6
147.07895	0.4
153.03093	1.3
161.11697	2.3
169.19516	4.4
175.09662	2.1
177.11203	24.3
179.12732	0.6
193.10762	0.4
197.05876	0.8
209.13266	0.7
213.22128	3.6
216.28508	0.4
219.12291	0.9
221.13829	5.4
223.15416	0.8
225.12804	0.6
239.14812	1.3
251.14186	0.4
257.24716	9.5
265.16489	1.0
283.17520	1.7
291.19592	0.5
292.19904	1.0
301.27347	5.5
309.18973	0.5
315.17914	0.7
327.20087	1.3
353.21609	0.7
371.22684	0.8
415.25238	0.8
459.28021	2.5
627.46497	5.0
644.49463	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	645.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03926	0.5
55.01863	0.2
57.03424	0.3
65.03935	2.6
67.05505	0.9
68.99789	0.5
69.03426	0.9
69.53023	0.6
79.05480	0.9
81.02957	0.3
81.03407	3.3
82.04189	1.1
85.02894	2.4
93.03384	0.7
95.01299	0.3
95.04961	1.5
97.02885	0.4
97.06527	0.8
98.23505	0.2
99.04418	0.3
107.04947	5.8
107.05676	0.3
108.02085	0.5
109.02868	1.3
110.03672	1.2
111.04456	0.8
113.02344	0.4
123.00789	0.8
123.04369	0.4
125.02290	0.2
125.05964	0.8
127.03912	0.5
135.04396	2.2
137.02335	1.0
137.81627	0.2
138.03084	1.2
139.03902	0.2
140.04691	2.3
142.02634	0.5
151.03885	0.4
153.01863	0.2
153.05446	2.2
155.07019	1.2
169.01314	28.9
170.01619	0.5
171.06523	3.1
181.04941	77.6
182.05319	1.6
184.03549	0.2
199.06033	1.9
221.04695	0.2
248.08420	0.2
257.04291	0.2
261.03839	0.3
285.04019	0.2
303.04962	100.0
304.05313	3.2
304.08691	0.2
325.09192	5.6
326.08978	0.3
327.58728	0.2
343.10172	1.8
465.10486	0.3
542.88464	0.2
645.14227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10822	0.5
58.46093	0.4
64.70568	0.6
67.05478	0.5
71.43018	0.6
81.12907	0.4
91.49319	0.5
95.06048	1.6
100.41779	0.5
101.11785	0.5
104.56080	0.5
107.06025	0.6
119.06068	1.1
122.26221	0.5
127.04979	2.5
131.04953	0.6
131.06004	0.7
134.07103	0.8
144.05556	0.7
146.07091	1.9
157.04016	0.5
158.07108	1.6
172.05032	1.0
174.06673	4.1
186.06660	4.2
192.75664	0.5
198.06607	2.8
200.04530	1.5
202.06052	0.7
214.06114	8.0
226.06108	5.7
228.03931	0.9
242.05666	3.4
243.06041	0.7
268.04001	0.6
270.05075	100.0
271.05472	3.5
272.06619	1.2
288.06094	6.3
314.45529	0.6
346.11829	0.7
374.11328	70.6
375.11649	3.7
376.12799	3.1
427.16348	0.9
440.13702	1.1
441.13849	0.8
442.19446	1.4
443.19275	3.3
454.15186	0.7
455.15640	1.2
455.72540	0.6
469.17316	3.4
470.18243	1.4
471.18945	0.8
483.15268	1.9
498.17404	1.3
557.22302	2.3
584.21893	1.7
585.21997	13.2
617.25159	0.6
645.24402	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	645.2534
Annotation	Buddlenol D
Peak:m/z	Relative Intensity
50.80917	0.1
52.15297	0.1
54.24152	0.1
55.05509	0.2
59.04997	1.1
64.24677	0.1
67.05492	0.3
68.99773	0.2
69.03416	0.2
69.07069	0.3
69.23186	0.5
73.02905	0.4
73.06554	0.3
79.05468	0.2
81.03403	0.2
81.07044	0.3
81.35283	0.1
84.05630	0.3
85.02889	0.2
87.04460	3.6
88.04784	0.3
89.06020	1.7
90.06410	0.1
91.05458	0.5
95.01340	0.3
95.08625	0.2
97.02882	0.3
103.07589	0.6
103.67406	0.1
105.07030	0.2
109.02839	0.2
117.09110	0.2
119.04929	2.5
121.02853	0.7
123.00774	2.8
123.01653	0.2
127.03914	0.1
133.08597	0.8
141.01825	0.5
145.02927	0.2
147.10194	0.3
151.00230	0.2
169.01292	1.7
177.11195	0.2
241.04916	0.9
245.04439	0.3
259.05835	0.1
269.04401	2.1
287.05466	100.0
288.05786	3.6
361.29404	0.3
362.29831	0.2
379.30328	0.2
380.30716	0.2
433.49835	0.1
499.78293	0.1
645.27441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10388	1.6
55.56347	1.8
65.03922	1.8
66.68077	1.6
67.05499	2.9
69.17177	4.6
69.17588	7.4
79.05480	2.2
80.05004	1.7
80.53398	2.0
81.07012	2.3
82.06583	2.8
91.05451	3.6
93.05751	2.7
93.07034	5.4
94.06549	10.4
95.04957	3.4
95.05505	1.9
95.07325	6.5
95.08614	1.8
96.08112	16.7
97.06528	2.0
97.26750	1.9
106.06534	6.3
107.07325	2.2
108.08113	28.6
110.09669	28.6
116.04990	3.7
120.04467	4.3
120.08097	20.3
120.56306	1.8
121.02873	3.2
121.08875	1.7
122.06015	13.5
124.07574	17.1
128.38602	1.7
132.08052	2.0
134.06032	4.4
134.09608	2.0
136.07570	51.8
138.05531	1.9
138.09129	39.5
144.04427	6.5
146.06012	13.9
146.09607	2.4
147.04326	2.4
148.07562	30.7
150.09087	9.8
152.07042	27.4
160.07617	2.8
162.05479	4.7
164.07027	10.3
166.08620	69.3
172.03918	31.9
176.07054	4.1
182.08054	2.5
188.06973	1.9
190.04970	24.8
197.10693	5.0
198.11490	6.1
204.06538	43.6
209.10690	2.4
210.11530	11.3
211.12248	15.8
212.09370	5.1
212.13000	4.6
218.08110	2.6
221.10712	2.3
222.11519	2.7
223.12271	14.0
224.09410	5.1
225.10237	15.6
225.13838	3.4
226.10928	11.0
227.11739	8.4
229.13382	2.6
233.10600	2.5
235.08521	3.7
235.12286	4.2
236.09372	4.4
236.12973	2.3
237.10207	19.4
237.13811	4.0
238.10942	19.6
239.11780	19.1
240.12285	2.5
241.09755	2.5
241.13313	5.5
246.07639	4.1
248.09532	5.3
249.10197	16.3
250.11015	10.0
251.08044	3.0
251.11784	35.9
252.08920	3.1
252.12566	4.9
253.09610	5.3
253.13310	9.9
255.11284	7.2
256.12048	7.6
257.12863	3.1
259.14471	2.1
261.10236	2.0
262.10977	8.3
263.07883	2.3
263.08438	2.3
263.11719	38.9
264.08807	9.0
264.12476	8.8
265.09805	13.2
265.13254	18.6
266.10431	13.2
267.11224	37.4
268.11966	3.9
269.12808	10.5
271.10809	6.3
271.14362	16.1
273.12280	13.4
275.11838	3.9
277.09662	5.1
278.10504	10.4
279.08139	3.2
279.11246	56.7
280.12088	10.0
281.12820	19.1
282.10010	3.6
282.13437	3.2
283.10733	8.2
284.11539	20.5
285.12317	71.5
286.12653	3.4
287.13889	4.9
289.15298	2.8
291.11264	23.2
292.11954	6.9
293.09384	4.0
293.12750	23.6
295.10696	6.9
296.11566	12.1
297.12305	84.0
298.12823	5.8
299.13828	10.8
304.08487	1.9
307.10645	3.6
309.12277	39.7
310.13007	9.8
311.10233	10.4
311.13812	6.2
312.10812	3.5
313.11780	2.3
319.10782	18.9
321.12317	25.4
323.10242	20.5
325.08078	3.3
325.11804	43.1
325.15598	3.2
326.12241	3.2
327.13397	17.6
337.11783	91.4
338.12219	5.3
339.13452	9.4
341.11304	4.3
343.12985	4.3
346.19193	4.2
348.20505	2.3
349.11319	2.2
355.12787	4.1
356.13690	2.6
357.14478	9.5
359.15903	4.1
360.17154	2.3
367.12808	2.8
369.14307	5.3
372.16849	2.4
373.13751	2.4
374.18643	2.6
376.20352	3.1
385.13797	5.0
388.16394	3.5
390.17999	2.9
392.19656	4.9
400.16534	2.1
402.18027	5.5
403.18753	2.1
404.19522	8.0
412.16559	2.8
416.19614	3.7
418.17526	4.2
420.19037	3.6
422.20599	5.7
430.17691	17.7
432.18936	11.2
433.19913	2.5
436.18741	2.5
442.17685	5.7
444.19226	3.5
446.20718	10.3
448.18637	55.3
449.19357	47.7
450.20157	45.6
460.18634	42.4
461.19281	6.9
462.20190	8.9
463.21161	2.3
472.18332	4.5
474.20459	13.6
476.18024	20.8
477.18823	19.8
478.19675	22.5
479.20181	2.2
480.21136	2.6
490.19675	99.5
491.20322	22.3
492.14758	2.3
492.21292	27.5
493.21762	5.1
522.22333	24.0
523.23029	11.1
567.25958	3.6
595.25494	24.1
596.25391	2.4
613.26501	100.0
614.26593	8.3
645.28638	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.3
51.02367	3.1
53.03928	0.9
55.05509	3.3
57.07059	1.2
67.05504	8.1
69.07042	2.4
69.11150	1.9
69.11570	2.3
71.04980	1.3
78.03447	37.7
79.05482	4.4
80.05016	3.0
81.07043	8.1
83.04951	1.2
83.08609	1.3
91.05482	7.9
93.07037	7.0
95.04948	1.8
95.08595	13.8
96.04494	9.2
103.05473	0.9
105.07019	16.5
106.02906	100.0
107.03235	0.9
107.08579	9.5
107.63628	0.6
109.06497	0.9
109.10161	2.3
111.04429	3.0
117.07017	3.4
119.06074	1.0
119.08567	25.7
119.09426	1.4
121.06555	0.6
121.10152	3.6
123.08009	0.7
123.11712	1.1
124.03941	96.8
125.04317	1.1
128.06194	1.3
129.06979	2.7
130.07797	1.1
131.08556	6.2
133.06380	0.6
133.10115	22.0
135.11618	0.7
141.06976	2.5
142.07771	1.8
143.08522	4.2
144.09335	1.3
145.10117	10.1
146.10925	0.8
147.08051	0.8
147.11676	9.9
153.06914	0.8
155.08528	3.9
156.09326	2.9
157.10118	6.7
158.10909	1.3
159.11682	10.2
161.09569	1.1
161.13272	4.4
165.09097	0.9
167.08476	1.0
168.09303	1.1
169.10112	4.4
170.10905	2.5
171.11678	7.9
173.09644	1.3
173.13246	7.2
178.08630	5.3
181.10089	1.5
182.10864	1.1
183.11684	6.8
184.12358	1.7
185.13258	4.9
186.13902	1.2
187.11192	1.5
187.14764	3.5
188.15434	0.9
189.16391	2.5
193.10071	1.1
195.11743	3.3
195.13272	0.6
196.12489	1.3
197.09485	0.9
197.13216	8.5
198.13947	0.6
199.11185	1.5
199.14833	3.9
201.12833	0.8
201.16339	4.6
205.12259	1.5
206.08119	1.7
208.12292	0.8
209.13243	1.3
211.11333	0.8
211.14850	3.9
213.16467	0.7
217.12184	0.9
221.13176	0.6
224.09126	18.4
224.15665	1.0
225.12813	1.6
225.16422	1.6
229.12263	1.7
231.13712	0.7
237.16319	1.5
239.14288	0.9
239.17921	3.5
243.13829	2.4
253.19510	5.0
255.20938	0.9
257.15363	1.3
263.17828	1.0
281.19006	2.9
299.20001	17.7
300.20175	0.8
422.23175	5.1
422.37009	0.6
522.28833	0.9
645.31628	80.8
646.22870	0.9
646.32050	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	646.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	2.0
67.09007	1.2
68.99804	2.0
70.06588	15.8
70.48463	1.9
76.10921	1.2
81.04550	4.6
84.08158	2.0
85.40346	1.1
86.09712	3.0
88.07646	5.5
88.62497	1.1
91.05494	2.3
93.04533	11.7
93.51440	1.1
95.02491	2.1
102.09223	1.3
103.05461	7.4
105.04544	5.1
105.07034	1.2
107.02405	1.5
109.04005	7.2
113.03444	7.5
118.04021	1.4
119.04916	1.5
120.61709	1.2
121.03082	1.0
121.04021	3.8
131.04919	24.0
132.05251	3.0
132.10208	3.0
133.04030	2.0
146.11780	3.3
147.04454	1.6
149.02357	32.2
149.03497	3.3
150.34045	1.4
151.05109	1.3
153.01836	5.1
153.02963	3.0
159.04340	1.6
161.03525	4.0
167.02203	1.7
171.02899	1.4
174.03020	2.0
175.03833	1.7
177.02977	6.5
178.01343	11.1
179.03394	2.5
185.03282	2.3
187.03783	1.7
189.02945	48.8
190.01369	2.8
193.04967	27.0
193.06578	1.8
200.04533	1.5
200.20088	11.0
201.03012	4.5
208.02466	5.5
214.02435	7.2
215.03407	2.0
217.02444	93.8
218.00868	6.3
218.02896	1.9
225.05573	3.1
229.02423	8.6
235.03549	2.6
237.07693	6.4
240.04059	2.0
242.01938	10.1
242.05722	1.7
243.02788	4.5
244.22653	14.3
246.00156	1.5
254.05562	2.7
255.06639	2.1
256.03613	4.4
257.01959	1.9
257.08182	5.2
261.03891	3.3
268.03577	4.6
270.05032	9.5
280.06070	2.4
282.05112	2.4
282.07764	8.6
294.07681	2.0
296.03149	2.0
298.04578	2.4
308.03073	2.0
310.04391	1.5
321.54428	1.3
322.07333	3.2
326.04175	3.7
338.04190	4.5
341.06595	4.7
359.07678	4.5
366.03644	5.1
372.09671	2.4
374.11469	4.0
384.12308	1.4
385.08972	9.7
386.11966	1.8
394.03107	16.1
400.09064	1.6
402.11029	2.5
403.10291	2.3
412.04233	2.5
429.11819	19.5
429.17349	1.8
430.10382	7.5
431.10458	1.5
442.10690	4.3
456.08746	1.6
469.09436	1.7
470.09958	5.6
472.11365	1.6
473.14230	3.4
480.07932	1.9
498.09299	91.6
499.09662	4.3
516.10437	3.1
526.08807	100.0
527.09381	3.6
544.09735	12.3
546.11670	1.5
566.18945	1.9
584.28479	3.7
593.15759	2.1
610.17224	2.3
618.15051	36.7
619.15338	2.3
628.17029	4.2
629.15527	3.6
646.14624	77.2
646.31873	61.1
647.14844	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	646.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74916	0.3
52.94797	0.3
61.82413	0.3
67.05494	0.6
69.07062	0.6
79.05486	0.4
81.07060	0.6
87.04427	0.4
89.06056	0.4
91.05487	1.1
93.07034	1.2
95.04980	0.7
95.08600	0.7
96.01848	0.4
102.03184	1.6
105.03376	0.7
105.04514	0.3
105.07031	1.7
107.08580	0.9
108.26356	0.3
109.06506	0.5
111.04436	0.9
117.07052	0.4
119.08595	1.5
121.10143	0.8
123.08135	0.3
124.03967	0.9
129.07001	0.3
131.08601	0.9
133.10147	0.7
135.08018	0.4
139.03899	0.7
142.07761	0.3
143.08549	0.3
144.16229	0.3
145.10149	1.0
146.02112	7.4
147.11771	0.4
156.09352	0.4
157.10146	0.5
159.11722	0.6
165.08916	0.3
169.04701	0.4
169.10144	0.5
171.11684	0.5
173.09645	0.3
173.13248	0.5
179.08612	0.3
181.10222	0.4
183.11678	0.4
185.13399	0.3
187.14864	0.4
191.06784	3.0
197.13359	0.3
198.14172	0.4
207.11845	0.3
211.14754	0.3
213.16444	0.5
223.14900	0.5
226.13289	0.5
232.29100	0.3
237.07330	0.6
239.14177	0.5
251.08829	1.8
253.15784	0.5
255.13744	0.3
271.16977	0.4
281.09891	0.4
283.16995	0.7
294.15894	0.5
297.14597	0.6
312.17035	0.9
313.17627	0.4
341.17096	0.3
401.19315	15.1
402.19806	0.5
523.23151	0.5
524.22504	9.6
525.23151	0.6
560.49475	0.3
646.26135	100.0
647.26495	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	646.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.2
51.02365	0.4
51.31183	0.1
52.16620	0.1
53.03930	0.6
55.05492	0.3
57.45420	0.1
59.04996	0.2
67.05212	0.1
67.05502	1.0
69.07050	0.3
71.04981	0.2
73.02895	0.2
77.03918	0.4
78.03151	0.1
78.03455	1.1
79.04204	0.2
79.05474	0.6
80.05013	5.5
81.03399	0.2
81.07062	0.9
83.04991	0.2
87.04469	0.4
89.06028	1.1
91.05470	1.0
93.07047	0.6
95.04961	2.3
95.08598	0.2
96.04485	5.0
97.02895	0.6
97.06528	0.2
103.05464	0.3
105.03387	13.7
105.04393	0.7
105.07022	3.8
106.02904	1.6
106.03629	0.2
106.07368	0.7
107.08598	0.4
109.06507	0.2
111.04431	0.4
113.05995	0.2
117.07003	0.4
119.08574	4.2
121.06476	0.5
121.10140	0.3
124.03942	100.0
125.04307	1.4
127.01546	0.2
128.06271	0.2
131.08572	0.8
133.06540	0.1
133.08595	0.6
133.10100	0.6
135.08035	0.2
137.05989	0.1
140.03427	0.3
141.05498	0.4
142.07793	0.4
143.08527	0.6
145.10126	0.6
146.77211	0.1
147.08044	0.5
149.09520	0.2
153.56227	0.1
155.07028	1.3
155.08521	0.6
156.09326	0.4
157.10106	1.1
159.08044	0.4
159.11674	1.3
161.09613	0.3
167.08595	0.3
168.09369	0.2
169.10147	1.0
170.10873	0.6
171.11678	1.1
173.09515	0.2
173.13239	0.6
175.11174	0.3
177.11298	0.3
179.08537	0.3
181.10147	0.3
183.11705	0.9
184.07571	0.6
184.12465	0.6
185.09723	0.3
185.13275	0.9
187.11101	0.1
193.10146	0.3
194.10837	0.2
195.11703	0.5
196.12489	0.2
197.13243	1.7
199.14975	0.2
201.12723	0.6
203.14256	0.2
205.10075	0.2
206.10924	0.2
207.11748	0.4
208.12289	0.2
209.13280	1.0
211.14780	0.9
213.12732	0.1
213.52197	0.1
220.12425	1.1
221.13293	0.4
223.14876	0.4
225.12776	0.2
225.16328	0.7
228.06525	1.8
234.14014	0.3
235.14807	2.1
237.12601	0.2
249.16269	0.6
251.14334	0.1
253.15854	0.9
255.13869	0.3
267.17575	0.1
269.15515	0.2
271.16779	0.6
277.15991	0.4
280.14514	0.2
295.16885	1.0
313.17947	3.1
313.21420	0.3
314.18405	0.2
395.00641	0.1
436.21561	0.2
510.53757	0.1
558.24902	0.5
646.30042	23.0
647.30322	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	646.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.5
51.02358	1.2
52.28449	0.4
53.03930	0.7
55.05498	0.6
67.05222	0.4
67.05501	4.8
69.03406	1.0
69.98239	1.2
71.04974	1.7
72.08101	0.4
73.02911	6.5
74.03236	0.4
77.03945	0.7
78.03447	9.6
79.05485	2.9
80.05016	3.4
81.03423	0.4
81.07046	3.9
83.04945	0.7
87.04465	2.8
89.06015	3.5
91.05482	3.8
93.07031	2.7
95.04964	5.1
95.08596	1.5
96.04488	5.2
97.02890	3.3
97.06523	0.8
98.22781	0.6
103.05463	1.2
103.94760	0.5
105.03387	16.3
105.04507	1.3
105.07021	22.7
106.02908	20.8
106.07359	2.6
107.08589	1.7
109.06509	1.1
111.04437	1.3
111.08069	0.4
113.05959	1.0
117.01820	1.2
117.07012	1.4
119.04937	0.5
119.08565	8.7
121.06486	2.2
121.10153	0.7
123.04363	0.7
123.08041	0.5
124.03941	100.0
125.00024	0.7
125.04263	1.3
128.06210	0.7
129.06975	1.1
131.08569	3.5
133.08604	2.3
133.10143	1.7
135.08072	0.5
137.05989	0.6
141.05447	1.9
141.06998	0.5
142.07796	1.0
143.08559	2.0
145.10101	2.6
147.08061	2.6
147.11707	0.8
149.09645	0.9
155.07037	2.6
155.08394	0.9
156.09329	1.3
157.10121	2.9
158.10953	0.9
159.08087	0.5
159.11638	2.7
161.09677	0.6
167.08553	1.1
168.09239	0.7
169.10138	3.7
170.10895	1.7
171.11658	3.5
173.09589	0.7
173.13234	3.7
177.11214	1.3
179.08527	0.5
180.09265	0.7
181.10155	1.2
182.10933	0.6
183.11667	2.8
184.12495	1.6
185.09613	0.5
185.13190	2.4
187.11273	0.7
193.10118	1.0
194.10768	0.7
195.11627	1.9
196.12509	0.6
197.13234	7.4
198.13832	0.5
201.12799	0.8
205.10175	1.2
206.10951	0.6
207.11687	1.8
209.09801	0.4
209.13306	1.6
210.13620	0.5
211.14799	2.4
215.14352	0.6
220.12456	4.4
221.13287	1.2
223.11182	0.5
223.14827	0.8
225.12772	1.0
225.16336	1.4
234.14061	0.7
235.14786	6.7
237.12741	0.5
238.13580	0.6
239.17998	0.5
244.12218	0.4
249.16469	1.7
253.15846	1.5
255.13843	0.7
271.17117	0.6
277.15891	0.8
295.16937	1.6
313.17926	9.8
313.21353	0.7
318.13416	1.3
355.87723	0.5
428.16586	0.4
436.21152	0.5
443.19208	0.4
454.22339	1.0
469.17993	0.4
470.17389	0.5
471.18735	0.7
513.27325	0.4
536.05310	0.5
558.23993	1.8
576.25537	0.5
586.22314	3.8
618.25067	0.5
646.30182	38.5
647.30615	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	647.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	1.7
69.09649	8.0
75.03944	1.2
86.06305	1.6
91.05508	1.2
93.04559	1.5
103.05492	4.6
105.03426	1.7
115.05443	3.3
123.02953	1.3
131.04926	12.8
163.05052	3.0
178.01500	1.4
179.26035	1.4
182.62961	1.1
189.03032	1.7
217.02452	2.9
218.02808	2.6
219.04007	6.7
229.02623	3.2
246.03720	18.2
260.03641	1.3
264.04565	7.2
270.05057	1.5
271.05978	1.8
278.05469	20.4
280.06046	4.3
292.05780	9.9
293.06619	7.4
318.07382	6.8
326.01279	2.1
333.08694	2.1
339.98904	8.0
341.03531	2.8
344.02023	16.1
346.06757	2.1
358.00003	9.9
359.04358	19.2
362.03015	7.0
377.05399	4.7
384.12222	2.7
394.02933	2.1
395.03412	2.4
401.16608	1.4
406.10464	17.3
422.13498	2.4
425.05020	1.5
426.05414	6.3
442.05225	12.4
443.05701	6.4
448.12576	1.6
480.07184	1.7
499.10437	2.8
500.10678	2.0
507.07803	3.6
515.08984	3.1
518.12219	1.6
525.09009	12.4
529.11279	8.0
530.12097	27.2
531.12305	1.7
543.10114	9.6
546.11560	100.0
547.12311	78.1
548.13086	24.3
562.30914	1.4
587.14392	4.3
603.17596	2.2
604.16553	6.9
607.09113	16.2
615.16479	1.5
619.15179	5.8
625.10083	4.3
629.15320	59.3
630.15063	5.2
647.16193	96.0
648.16180	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	647.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
55.48269	1.0
57.59080	1.0
62.74810	1.0
68.02696	1.1
68.99785	1.4
69.03416	1.5
81.03413	1.4
81.07038	1.0
85.02901	3.5
85.86278	0.9
87.00793	1.2
91.05474	7.8
95.04939	2.1
95.08536	0.9
97.02886	1.1
99.04455	1.1
101.04073	1.0
103.05459	13.7
104.03651	1.0
105.01852	1.6
105.03391	2.0
105.07001	2.0
109.02858	1.3
111.00787	1.3
121.06510	1.9
127.03923	2.2
131.04913	40.1
131.05898	2.3
132.05280	1.3
144.03210	1.6
145.10136	1.1
147.01878	1.0
155.04878	1.4
162.06503	1.0
169.04010	2.5
172.03954	1.7
184.02611	2.0
185.03477	3.1
187.05052	1.4
191.08582	1.2
199.03909	1.4
204.08138	1.5
209.03471	1.7
211.05086	2.9
213.02853	9.2
215.04691	1.4
216.08101	1.6
217.08875	2.1
218.09712	2.0
225.02971	1.0
228.05406	1.4
231.03981	9.5
231.09198	3.4
232.09904	1.7
239.04530	3.7
240.01648	3.2
241.02483	5.7
242.03180	2.4
242.08699	1.4
243.04083	2.3
243.09212	2.4
244.07503	1.3
245.10786	2.2
247.08762	1.9
253.02528	2.0
253.06142	2.0
255.03996	2.4
257.05423	5.9
259.03491	2.2
259.08698	4.1
260.09467	3.9
261.10358	1.5
265.02597	1.0
267.04333	1.1
268.01108	1.3
269.02094	2.3
269.10760	1.2
270.08105	3.5
271.03625	2.1
271.08585	6.3
273.10208	2.3
274.03506	3.1
277.02490	1.3
279.03967	2.1
281.05701	1.4
283.03470	39.8
284.03940	1.9
287.08017	4.8
289.09729	4.3
295.08667	1.6
297.05017	1.6
297.10397	1.6
298.07800	2.3
299.08078	8.6
301.04602	3.1
301.09818	1.3
307.03598	2.9
309.05038	1.5
311.03015	1.3
313.09647	1.5
315.07675	6.3
316.08215	5.0
317.09192	13.0
321.05167	2.1
323.03113	3.2
323.08182	2.3
324.06491	1.5
325.04584	1.1
325.09839	1.4
327.07635	8.6
331.07147	2.2
332.00735	2.0
333.01437	4.1
335.03058	2.2
337.09274	1.1
343.07196	4.0
344.07916	2.8
345.08664	16.2
346.09085	1.6
348.07404	3.0
349.04553	8.0
351.02454	2.1
353.03955	3.5
353.08810	1.5
361.00900	1.9
361.08258	2.1
363.09656	4.3
365.04080	1.7
365.09018	1.6
369.08752	4.7
377.04132	3.7
379.01996	3.8
383.10370	1.8
387.99557	1.9
389.00284	1.3
393.03668	3.9
393.08588	2.4
395.06439	2.6
397.08344	4.5
403.01971	5.7
409.08136	2.3
411.04944	1.6
411.09976	3.5
413.07504	1.8
413.12552	1.5
415.09235	3.0
419.06772	2.9
420.07080	1.7
421.02963	3.3
421.08325	3.8
431.13953	2.4
437.07428	6.3
438.08435	1.5
439.03983	1.6
439.09445	4.7
441.06787	2.0
447.06100	3.6
453.11038	1.8
455.08789	1.7
465.07135	11.5
481.10397	1.4
483.08035	6.6
497.09705	8.3
509.11337	1.4
515.10712	5.5
525.09070	14.6
527.12201	2.7
543.10040	14.6
544.10156	1.4
551.12476	2.4
569.13422	9.5
570.14020	1.5
587.14429	100.0
588.14771	9.7
629.15424	9.8
647.16479	68.4
648.17072	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	647.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39690	0.3
56.17092	0.3
57.99247	0.3
67.95967	0.3
68.99764	0.9
69.92666	0.6
69.93034	0.6
79.01839	0.4
79.87395	0.3
81.04523	1.1
91.56136	0.3
93.04500	0.4
94.04056	0.4
95.02420	0.7
103.05424	0.5
105.04466	0.7
113.03442	1.3
117.04482	0.3
118.42831	0.3
120.05531	0.5
129.04475	0.4
130.03972	0.4
131.04926	1.6
132.05540	0.8
133.03899	0.3
138.01837	0.5
144.05531	1.3
145.03943	0.7
149.02200	0.3
156.05490	0.4
157.03944	0.7
158.03464	0.9
160.05067	3.4
161.03442	0.9
166.01335	0.3
172.05057	3.7
173.03374	0.8
184.05035	2.3
186.02914	1.2
188.04468	0.5
191.04472	0.4
193.04942	0.4
200.04533	5.4
201.02956	1.3
201.04771	0.3
202.06030	0.3
204.04134	0.5
212.04523	10.3
213.09937	0.3
214.02475	2.0
219.04022	1.1
228.03995	2.7
229.02426	0.7
229.04631	0.3
230.05679	0.7
232.03552	1.4
246.05154	0.4
256.03516	100.0
257.03992	2.8
258.05081	0.9
274.01794	0.6
274.04565	7.7
280.06058	0.4
334.08017	0.5
360.09689	2.4
361.10468	1.0
362.11288	2.0
376.09262	60.7
377.09540	2.8
429.11801	0.6
430.12292	0.7
499.56839	0.3
541.46051	0.3
604.16956	0.6
619.15320	0.4
629.14075	0.5
647.16003	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	647.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06063	0.5
58.39291	0.6
64.68666	0.4
70.06599	0.5
70.78574	1.1
71.04981	0.6
82.46613	0.5
84.17989	0.5
84.56802	0.5
85.02906	1.1
97.02842	0.6
107.04963	0.5
123.03336	0.5
126.89454	0.5
131.04904	0.7
145.02905	1.5
150.78687	0.5
151.03955	1.0
163.03912	1.1
164.04285	0.7
171.69014	0.5
177.05498	1.4
181.05072	0.7
285.12738	0.5
290.63785	0.5
303.05090	1.5
304.05487	1.4
305.05621	1.0
313.11755	0.9
321.09604	1.2
329.06375	1.6
344.13776	0.6
420.18835	0.5
501.13550	3.1
561.16412	1.0
629.33429	0.5
647.19385	100.0
648.19745	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	647.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.5
65.03935	0.5
70.00676	0.8
70.01047	1.9
70.06573	1.3
70.48793	0.5
84.96032	1.2
95.06081	1.0
97.48255	0.7
98.97588	5.8
101.83105	0.6
110.97566	2.9
112.99139	0.6
113.07120	1.9
116.98608	2.2
128.98616	3.5
131.00157	0.9
134.99684	0.7
135.04503	0.5
140.98605	0.9
141.32811	0.6
146.99648	1.4
151.03925	4.8
151.05019	0.9
152.04254	1.1
158.99646	1.3
161.01230	1.4
162.99089	1.0
163.03920	1.6
170.99678	1.1
177.00726	1.0
177.05542	1.0
189.00743	0.9
197.01242	1.1
201.00699	1.2
219.01755	3.7
223.02550	0.8
225.04413	2.4
228.03145	2.3
237.02747	6.9
241.03946	0.8
243.05420	3.3
252.03163	0.7
253.03818	1.4
267.05438	4.4
279.05600	0.8
285.06494	2.5
304.42560	0.6
309.06610	1.7
314.09454	0.7
321.06381	0.9
369.08545	13.9
387.09625	13.8
455.12210	0.9
515.14258	1.8
520.40948	0.6
530.78326	0.6
647.19330	100.0
648.19763	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	647.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67505	0.7
55.01868	3.0
57.03432	1.2
58.22512	0.8
67.05498	0.9
69.03434	3.9
69.70497	0.8
69.70831	3.2
74.02525	0.9
74.09914	0.8
80.37685	0.8
81.03416	3.4
85.02891	5.6
87.00822	2.4
91.05496	1.7
94.06560	1.1
97.02892	10.9
99.04447	1.4
103.05489	1.0
105.07022	2.0
109.02879	3.4
109.06528	1.0
115.05386	1.1
122.03645	2.1
122.06065	2.3
127.03928	4.4
131.04970	1.8
133.06488	1.1
137.05975	28.1
138.05525	1.3
140.07076	2.7
145.02802	1.0
146.03696	0.9
146.06006	1.5
147.04407	1.6
149.06009	1.0
151.03893	4.7
155.04933	1.1
159.02876	1.1
161.05974	9.3
163.07492	1.8
163.44147	0.7
164.87317	0.8
165.05479	1.8
165.06937	1.0
166.02759	0.7
172.03940	1.2
177.05539	1.4
178.07735	0.9
183.04373	1.3
185.05966	1.2
187.07498	1.8
189.06953	1.4
190.07784	3.3
191.08563	4.3
198.09180	3.4
200.04652	1.2
201.07019	1.9
202.07716	2.0
203.08513	1.2
204.06612	1.8
205.06535	1.9
206.08063	2.3
207.08083	3.0
208.08861	1.1
213.45227	0.9
215.06998	4.9
215.11821	2.6
218.07256	8.7
219.08049	10.9
220.08714	2.1
221.05988	0.8
229.06427	6.2
230.07259	1.7
231.08101	1.1
233.09595	3.7
234.07098	1.0
235.07603	5.2
236.08290	3.6
243.07997	0.7
243.08698	1.1
243.11267	13.4
245.06039	1.8
246.06792	8.9
247.07645	12.5
248.08342	2.8
249.05492	0.9
249.09224	1.7
250.09978	2.0
251.11160	1.0
255.11284	1.6
257.05856	4.4
257.13080	1.1
258.06635	2.6
259.07471	3.2
261.09109	22.2
262.06216	0.9
262.09686	1.2
263.07040	5.5
263.11703	1.3
264.07697	6.6
274.06210	8.6
275.06982	7.6
276.07675	2.3
277.08655	2.4
278.09375	5.4
279.10068	6.6
281.08145	0.9
285.12347	13.1
287.10254	1.1
289.08606	29.3
290.09195	7.8
291.06561	3.0
291.09790	1.1
292.07309	2.0
293.11743	1.8
295.09988	1.8
300.29239	0.9
301.11975	1.4
303.10165	1.7
303.13327	10.3
305.08047	1.0
306.08856	10.4
307.09622	34.6
308.10233	1.2
309.12305	1.4
311.09766	0.9
311.12964	1.3
319.12845	1.2
321.11197	100.0
322.11505	8.5
324.09924	1.2
339.12265	31.2
340.12476	0.9
369.14450	2.5
371.15918	1.4
381.13312	2.5
384.13342	1.1
492.17554	2.1
506.19016	3.7
507.19641	2.2
508.20483	1.5
524.20367	4.0
597.23022	1.4
615.24438	2.0
629.25134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75700	0.7
53.03937	0.7
54.03417	0.6
55.01872	1.1
56.05025	1.8
57.03420	0.7
61.02930	1.2
68.05022	17.5
68.05379	1.0
69.03423	3.6
70.06591	2.3
71.04996	0.8
72.08140	0.7
74.06065	1.1
80.05006	1.1
81.03425	1.2
84.04502	20.3
84.08160	2.1
85.02910	4.4
86.06055	1.4
86.09702	3.0
91.05499	1.0
94.02938	1.0
94.06535	1.3
95.06089	20.1
95.06670	1.2
97.02899	2.9
101.07133	9.4
102.05556	1.4
103.37965	0.7
105.07007	0.8
108.90284	0.7
109.06484	0.6
110.06129	0.8
110.07160	0.7
111.05556	4.5
113.07127	43.0
114.05510	5.5
115.05489	0.8
117.03394	1.9
119.04952	1.0
122.03655	0.8
122.05997	0.8
126.82313	0.7
127.03896	1.7
129.10306	0.9
130.05016	6.1
132.02089	1.1
137.05991	12.4
137.07085	2.0
139.05067	2.5
145.02895	2.5
145.06483	0.6
146.03575	0.9
147.04443	4.1
150.40341	0.6
151.03867	1.1
157.06082	13.3
157.07297	1.0
161.05951	8.4
162.06737	0.7
165.05615	0.6
167.08521	0.7
169.06448	0.7
173.06017	1.5
175.07465	0.8
177.05453	5.7
185.06024	1.7
187.07677	0.9
189.07042	2.4
190.07829	2.4
192.03227	0.6
197.05965	0.6
201.05438	0.7
202.07858	1.2
203.06952	0.7
203.08647	1.8
204.09248	0.7
205.06676	0.9
205.10010	1.0
206.07236	1.7
207.08141	0.9
215.08531	3.9
217.06529	2.7
218.07256	6.0
219.08095	1.8
229.06477	4.1
230.07228	0.9
231.08080	3.3
232.08835	1.5
233.09669	2.4
234.06725	4.4
235.07605	5.5
243.08025	3.1
244.08701	0.8
245.05974	4.1
246.06767	10.9
246.09053	1.3
247.07603	2.5
248.08272	1.4
249.09102	7.9
250.09970	1.4
251.07141	2.6
251.10661	0.7
257.05966	3.9
258.06784	1.6
259.07510	3.4
260.08432	1.5
261.09094	18.5
261.11765	1.4
262.06329	3.3
262.09344	1.1
263.06979	6.8
265.08664	1.8
266.09500	1.0
271.07587	1.2
273.05707	0.9
274.06174	5.8
275.06979	5.2
275.09924	0.6
277.08591	16.8
278.09299	5.8
278.11856	0.7
279.06635	1.9
279.10172	1.4
281.08185	0.8
281.11829	0.7
283.09805	0.9
284.10468	1.3
288.07822	0.8
289.08563	56.1
290.09262	7.9
291.06586	10.8
291.10019	2.5
293.11755	1.8
294.08823	5.6
295.09766	0.7
302.09363	0.7
303.10385	0.8
305.07953	3.9
306.08841	15.6
307.09436	0.7
309.03787	4.4
309.11163	14.5
314.10098	0.7
321.11203	69.7
322.11276	3.3
323.12454	1.3
326.13986	0.8
338.13794	4.0
339.12250	7.3
348.84064	0.7
438.15466	1.9
439.45474	0.7
455.18112	4.7
467.18011	6.7
471.08813	4.9
485.07040	2.2
485.19101	17.9
519.13409	0.8
617.23541	1.6
647.24420	100.0
648.24860	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	647.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.05484	0.9
67.05473	1.4
67.32475	0.7
68.04995	0.7
69.03397	0.7
69.07011	2.3
69.07384	0.6
69.76017	1.3
70.06548	2.3
79.05461	0.8
79.44615	0.6
81.03385	1.4
81.07038	0.8
84.04487	1.3
84.08097	1.8
87.04425	0.8
91.05436	1.6
94.06579	5.8
95.04942	1.2
97.06480	0.8
98.23417	0.9
99.66399	0.6
105.07000	1.2
108.08067	1.1
110.06011	1.2
112.07580	1.4
118.06511	0.7
120.04432	1.0
121.02829	1.8
122.06023	17.5
124.07586	0.7
134.06015	1.1
135.21480	0.6
136.07626	3.1
136.08487	0.8
137.48515	0.6
138.05510	1.0
140.06029	1.2
140.07047	18.9
143.08549	0.6
144.04411	1.9
145.05237	1.3
146.04909	1.1
146.06000	16.5
147.04373	0.9
148.07579	1.1
150.05466	1.9
151.03931	0.8
154.06548	0.7
155.07298	0.7
157.08781	0.7
158.05994	0.7
160.07645	0.8
161.07011	0.7
162.05450	2.5
162.09181	0.7
164.07068	0.7
169.08813	0.7
170.09697	3.2
172.03917	13.2
172.07559	1.5
172.11215	1.2
173.04633	1.9
174.05464	9.6
174.09103	0.8
175.08641	1.1
180.08005	0.8
184.11218	1.2
187.08655	1.0
187.12297	5.2
190.05042	0.7
191.05727	2.2
192.06406	1.0
197.08362	1.3
197.10698	1.1
198.09135	24.8
199.08611	0.8
199.12234	1.4
200.09166	3.2
200.10922	1.7
204.06538	19.3
206.08104	10.6
208.09712	1.1
209.10716	1.6
210.09126	1.9
210.11040	0.7
211.08589	1.4
212.10941	4.5
213.10222	1.5
215.08316	0.8
215.11783	20.7
216.12294	0.7
221.10918	0.6
223.12285	1.3
224.09293	0.9
225.10202	3.0
226.08664	7.7
227.08173	1.8
227.11739	8.1
228.08777	0.8
229.09818	0.9
233.10855	0.8
235.08623	4.9
236.09343	4.3
237.10265	6.9
238.10774	1.3
239.11801	1.7
240.08870	2.9
240.10609	1.2
241.09702	3.7
241.13377	2.1
242.10493	2.7
243.11259	100.0
244.11575	3.1
249.10242	7.8
250.10983	3.9
251.08115	2.3
251.11740	13.9
252.12445	2.0
253.09653	2.1
253.13394	1.0
255.11247	29.4
256.11667	1.9
257.12842	6.2
263.08176	1.5
264.08951	3.9
265.07208	1.1
265.09735	9.9
266.10303	0.9
267.11371	1.6
269.09171	1.2
277.09686	4.7
278.10535	3.6
279.07654	6.3
279.11261	16.6
280.12000	1.3
281.09195	1.2
282.09991	2.1
283.10712	4.4
284.11444	3.1
285.12305	90.0
286.12637	2.6
287.10208	1.6
287.13785	0.9
291.07605	1.1
291.10953	0.8
292.08221	3.6
293.09106	6.0
296.11441	1.1
297.12286	7.1
301.11801	17.1
302.12570	1.9
303.13367	88.1
304.13690	3.3
305.09219	3.3
307.10703	5.8
308.11365	0.8
309.08740	1.2
309.12015	0.9
311.10165	5.5
313.11819	7.7
323.10175	3.4
324.10892	2.3
325.11777	20.8
326.12256	1.1
331.12802	1.9
333.08640	1.4
334.09430	0.8
335.10095	1.8
339.13480	1.5
343.13321	1.1
344.13821	0.7
345.14389	4.9
347.16113	0.9
351.09644	8.1
352.10443	4.3
353.11282	27.5
354.11963	1.7
355.13046	1.2
356.13861	0.9
357.14392	1.9
367.13132	1.2
370.15469	1.2
371.12000	0.7
373.14087	0.7
383.12338	14.8
384.13068	9.6
384.17224	0.6
385.13910	38.8
386.14459	1.5
398.14835	0.8
401.13550	1.2
404.16141	0.8
414.14584	0.7
429.14764	1.4
430.17422	1.7
448.18729	0.9
456.15469	2.0
457.16251	0.9
458.17078	1.1
471.17972	2.3
474.16568	7.7
475.17169	1.5
488.18323	1.6
489.18857	4.5
492.17621	19.7
493.18365	2.6
506.19443	0.9
510.18750	0.8
524.20215	21.5
525.20990	3.4
568.60651	0.7
571.25073	1.1
597.23096	3.4
611.24493	0.9
615.24432	7.0
629.25861	7.8
647.28510	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	647.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63710	0.7
67.05473	1.2
69.07051	2.2
69.28146	3.0
70.06574	1.3
77.56902	0.7
81.03381	1.2
84.08122	1.4
85.02878	0.7
87.04460	1.3
89.03923	0.7
91.05470	0.9
94.06576	5.4
95.04943	1.3
97.06523	1.2
110.06026	1.5
112.07546	1.9
118.06506	1.0
121.02822	0.8
122.06020	16.4
136.07547	2.4
140.07048	15.5
143.08504	0.7
144.04416	2.4
146.05995	15.1
147.04393	0.8
150.05476	1.3
155.08472	1.2
157.10077	0.9
162.05475	2.3
170.09648	3.6
172.02466	0.8
172.03935	13.6
172.09821	0.9
172.11180	1.5
173.04683	2.4
174.05482	9.7
175.08662	1.3
184.11197	1.2
186.09065	0.9
187.12317	4.8
191.05721	2.4
192.06516	0.8
194.21869	0.9
198.09125	23.9
200.09363	2.6
200.10930	1.1
204.06561	18.4
204.08466	0.6
206.08089	11.0
208.09674	1.0
210.09189	1.0
212.10786	5.2
213.09950	1.0
215.11781	22.6
216.10164	0.7
216.12164	1.1
225.10188	1.5
226.08711	6.6
227.08286	1.7
227.11734	6.7
229.13414	1.4
231.11290	1.5
237.10127	1.3
240.10095	2.7
241.09712	3.7
242.10545	3.1
243.11267	100.0
244.11574	2.1
249.10300	1.0
251.11838	1.5
252.68591	0.8
255.11267	20.9
256.11847	1.2
257.12805	5.7
279.11383	1.1
283.10663	2.5
284.11447	1.0
285.12311	94.2
286.12674	3.9
301.11804	12.4
302.12546	1.5
303.13364	83.9
303.94095	0.8
304.13669	3.0
311.10089	1.3
313.11774	8.5
325.11783	1.8
331.12881	1.9
345.14462	5.1
353.11401	2.8
355.13019	0.9
385.13690	3.3
408.52597	0.8
429.14395	0.9
430.17624	1.0
456.15540	1.3
471.17896	1.8
474.16623	5.2
488.18298	1.1
489.18835	2.3
492.17822	2.0
493.19266	0.9
506.18555	0.8
524.20667	1.4
571.25623	0.9
597.23444	1.6
611.24872	1.2
615.17029	0.6
615.24860	5.0
629.26172	7.3
647.31488	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	647.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.6
69.07053	1.0
70.06590	7.6
72.82381	0.8
79.05485	1.5
79.78224	0.8
81.07057	1.1
81.84050	0.8
83.04985	1.7
84.04497	1.8
84.08146	3.2
86.09711	2.9
88.03973	0.9
89.06046	1.6
91.05441	0.8
93.07024	0.9
94.06583	1.7
95.04969	2.4
96.08142	1.0
97.02888	0.9
98.04273	0.7
100.68414	0.8
105.07012	1.7
108.08150	1.1
119.08553	0.9
120.08108	1.2
121.02874	1.2
122.05986	1.6
124.07571	7.2
129.10207	1.9
130.04980	2.6
132.04468	1.0
136.07623	0.9
138.05496	14.5
145.10165	0.9
146.06059	2.4
147.04408	0.8
148.03918	1.7
150.05501	1.0
160.03941	1.5
160.37399	0.8
162.05522	1.2
166.05005	6.7
168.65945	0.8
174.05585	1.0
180.06577	1.0
185.09256	1.7
190.04956	1.2
190.08626	2.6
196.09979	1.2
206.08272	1.0
209.10837	1.2
212.09392	1.3
213.10229	1.1
214.08774	1.1
217.08226	2.3
225.10280	3.2
227.11792	2.1
237.10291	2.5
239.09389	7.1
239.11780	2.2
240.10147	1.5
241.09749	2.0
243.11392	2.2
249.10196	0.9
251.08119	1.9
253.09744	2.3
255.11259	2.1
257.09363	1.2
259.10770	10.3
259.83810	0.9
265.09564	5.6
266.08231	2.3
267.11282	2.5
269.09174	0.9
271.10651	1.1
279.07623	1.0
279.11292	1.1
281.09286	1.6
282.11292	1.2
283.10672	6.0
283.20758	1.2
285.12326	5.3
287.13947	3.6
293.09213	2.5
295.10699	2.1
297.12503	1.5
311.10254	33.4
313.11929	1.6
317.11783	1.5
318.12433	2.8
325.11850	1.2
329.11301	1.6
330.12476	2.4
332.13773	1.1
336.16891	1.4
343.12881	9.3
344.13800	2.3
346.15720	2.1
350.17276	2.2
363.15680	4.2
376.12415	1.3
376.16565	2.2
390.14557	1.8
391.15176	1.0
392.16177	4.0
404.16064	7.2
405.16818	1.0
418.17676	1.8
419.14682	2.4
420.19434	1.6
422.17059	7.2
428.16031	1.5
432.15527	4.2
436.19165	1.3
446.16901	2.3
448.18872	1.9
450.16507	3.5
451.17450	7.8
456.15503	2.8
464.18005	4.2
474.16641	5.8
483.21960	1.0
492.17627	100.0
493.17850	6.0
524.20282	11.8
555.22418	1.1
597.23383	5.5
603.25952	5.3
611.29938	1.8
647.24750	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	647.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.4
51.02378	2.9
55.05499	1.0
56.96552	2.1
67.05201	0.6
67.05500	6.1
69.03429	0.8
69.07050	1.0
69.29560	2.2
71.04969	2.5
78.03444	31.0
79.05478	2.0
80.05016	4.6
81.07047	4.9
83.04967	1.4
83.08641	0.8
85.30043	0.6
90.61430	0.5
91.05460	5.0
93.07032	3.3
95.04942	2.9
95.08570	2.0
96.04485	8.8
97.02883	4.1
98.22676	1.3
98.91941	0.8
98.97564	1.6
105.07013	5.2
106.02903	69.8
107.03268	0.9
107.08564	2.9
109.06473	2.3
109.10135	0.7
111.04449	2.1
111.08125	0.7
113.05958	0.7
115.05411	0.6
116.06224	0.6
116.98574	1.1
117.06974	1.9
119.08566	15.9
121.06484	1.3
121.10072	0.8
123.08060	0.7
124.03938	75.8
125.04295	0.7
128.06288	0.7
129.06996	2.0
130.07736	1.1
131.08540	3.9
133.06497	0.8
133.10117	3.6
135.07994	1.0
137.05910	0.6
141.05446	2.6
141.06897	0.6
142.07750	2.1
143.08536	3.8
145.10121	6.2
147.08093	0.7
149.09537	0.7
155.07019	3.0
155.08517	1.9
156.09332	2.1
157.10126	5.9
158.10832	0.7
159.08069	1.3
159.11676	5.2
161.09663	1.5
165.07002	0.7
167.08572	1.9
169.10114	4.7
170.10869	3.7
171.11671	6.3
173.09546	0.8
173.13248	5.9
174.10229	0.6
175.14893	0.7
178.07742	0.6
179.08504	1.0
181.10136	2.1
182.10876	2.2
183.11661	3.4
184.12424	2.7
185.13242	2.8
186.10515	0.8
187.11137	1.7
187.14796	1.1
189.04350	0.7
193.10112	2.4
193.33078	0.6
194.10901	1.8
195.11656	2.8
196.12447	1.3
197.13232	10.5
201.12720	1.6
202.13512	0.7
205.10100	0.8
206.10831	0.8
207.11674	3.2
209.13222	2.9
210.13972	0.8
211.11287	0.6
211.14786	3.5
215.14247	1.5
219.11772	1.1
220.12442	7.3
221.13206	1.8
223.14856	0.9
225.16354	2.0
227.14302	0.7
229.06133	1.7
234.14032	1.1
235.14775	7.8
236.15193	0.7
249.16356	2.6
253.15837	2.3
255.13814	1.5
267.17322	0.7
271.16815	1.0
277.15948	0.9
285.18436	0.7
295.17004	1.9
295.78986	0.6
313.17947	8.4
318.13336	1.1
372.59372	0.6
387.14755	1.1
429.15976	1.0
436.21274	1.7
447.16586	1.3
524.26422	0.8
527.18921	0.6
545.20770	1.4
559.24402	4.2
647.29559	100.0
648.29742	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	647.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.05510	0.2
67.05487	0.5
68.14227	0.1
68.86764	0.1
71.04984	0.4
78.03444	1.4
79.04224	0.1
79.05463	0.2
80.05013	4.7
80.33396	0.1
81.07057	0.6
84.04394	0.1
91.05449	0.4
93.07037	0.4
95.04977	0.2
95.08569	0.2
96.04488	3.6
97.02870	0.4
105.07023	0.8
106.02910	1.3
109.06578	0.2
111.04435	0.2
111.08083	0.2
113.05986	0.1
117.07016	0.2
119.08574	2.1
120.75314	0.1
121.06487	0.2
121.10143	0.2
124.03943	100.0
125.04285	1.2
127.01656	0.1
129.06978	0.2
133.10094	0.3
140.03378	0.2
141.05450	0.5
142.07704	0.1
143.08575	0.3
145.10106	0.4
155.07008	0.4
155.08495	0.3
156.09404	0.1
157.10133	0.5
158.10698	0.1
159.08061	0.1
159.11667	0.6
161.09628	0.1
167.08571	0.2
169.10098	0.7
170.10872	0.2
171.11679	0.6
173.13263	0.4
179.08580	0.2
181.10133	0.2
183.11737	0.3
184.12517	0.4
185.09619	0.2
185.13316	0.3
187.11145	0.2
192.83977	0.1
193.10147	0.2
195.11711	0.4
197.13254	1.1
201.12685	0.4
207.11681	0.2
209.13286	0.4
211.14847	0.5
220.12521	0.7
221.13339	0.3
223.14775	0.2
225.16376	0.3
234.13940	0.2
235.14783	1.0
236.15463	0.2
237.20187	0.1
249.16429	0.5
253.15927	0.4
255.13913	0.2
271.16818	0.2
277.15710	0.3
280.14459	0.1
295.16968	0.5
313.17865	2.2
331.18839	0.2
433.04947	0.1
436.21188	0.2
454.16077	0.2
454.22238	2.8
455.22855	0.2
524.26410	14.2
525.26764	1.1
577.25476	2.4
578.25232	0.2
647.29620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.161
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97352	0.5
68.01355	0.5
68.99764	1.0
69.04525	0.4
72.98101	0.4
81.04519	0.7
89.52952	0.3
91.05479	0.4
93.04517	12.4
95.06081	7.5
98.22613	0.9
103.05473	2.3
104.03694	0.5
105.03353	0.4
105.04475	0.6
106.02831	0.4
106.05290	0.4
107.06031	1.3
109.03978	0.7
111.05493	0.4
113.03494	0.6
118.02888	0.8
119.06056	0.8
120.35278	0.4
121.03334	0.4
121.03990	4.1
122.02431	0.4
123.05531	1.0
125.32331	0.3
131.04922	4.2
132.03154	0.9
133.03911	0.9
134.02350	1.0
135.05524	2.6
139.03973	0.5
139.05022	5.6
145.03954	1.0
146.02319	1.4
146.04720	0.4
147.05493	0.9
150.04236	1.2
163.05016	20.4
166.01263	0.7
167.02126	1.5
168.02905	2.2
173.03458	2.1
174.01878	4.8
174.04227	3.8
175.05002	1.2
176.03305	0.5
177.02939	1.1
178.01340	8.9
183.01881	0.6
189.02934	4.8
191.04495	19.8
192.02901	1.3
192.04688	0.6
201.02937	1.4
202.01387	1.3
202.03711	6.1
203.04462	2.2
215.04465	3.0
217.02477	3.8
217.04549	0.7
218.05743	0.5
219.03990	100.0
220.02382	7.9
220.04320	2.3
229.02426	37.5
230.03149	4.2
231.03979	8.1
236.06761	0.5
237.04962	0.6
243.03981	0.8
247.03503	11.9
271.08109	0.4
272.09195	0.9
273.01453	0.6
281.09290	0.8
282.07559	4.8
291.02646	0.6
291.07669	1.9
306.09982	1.6
323.10229	8.7
333.08682	17.9
334.09409	10.6
335.10162	2.7
352.00986	0.6
379.01889	1.0
416.12329	0.6
438.49161	0.4
451.55359	0.4
456.06741	0.6
483.08270	1.3
500.10880	9.9
501.11234	0.6
512.10797	0.6
602.15350	0.4
604.17084	61.9
605.17346	5.8
614.06934	0.4
616.17090	0.8
630.14844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03453	1.3
59.48661	0.9
67.89223	0.8
68.99809	2.3
70.06559	0.8
80.05038	1.5
81.04532	4.8
82.05322	4.6
84.43980	0.8
91.05487	1.2
93.04517	14.3
95.04945	0.9
95.06085	8.3
103.05471	15.9
105.04524	1.2
105.07073	0.9
106.05354	0.8
107.06062	5.0
109.04023	2.5
110.04805	1.8
113.03482	0.9
114.09371	0.8
117.04546	1.1
119.06082	3.2
121.03977	6.1
123.05571	1.7
125.07119	5.4
131.04918	26.2
131.05904	1.5
132.03262	1.4
132.05386	1.1
133.03970	1.9
134.02400	1.4
135.05528	5.6
138.01875	2.9
139.04974	6.1
140.03476	1.0
144.05571	0.9
145.03981	2.8
146.07190	1.4
147.05583	3.3
160.05101	2.7
161.03473	1.2
163.05020	25.3
163.06297	1.6
166.01416	2.3
167.02185	2.0
168.02937	4.3
170.07228	1.2
173.03514	2.1
174.01871	4.1
174.04272	3.4
174.06650	2.4
175.05055	4.1
176.03423	1.0
177.03033	1.7
178.01331	12.0
184.02457	1.0
185.03270	1.8
186.06630	1.2
187.05072	1.5
189.02948	6.2
190.06265	0.9
191.04504	22.7
191.06154	1.6
192.02989	1.9
196.02542	1.0
198.06702	2.3
200.04626	1.1
201.02956	1.6
201.05325	1.1
202.01645	1.5
202.03799	4.9
202.05997	4.1
203.04558	6.8
204.03001	1.1
205.06158	2.2
208.05196	1.5
210.06729	1.1
213.03091	1.1
215.04453	5.8
217.02435	3.6
219.03993	100.0
220.02470	9.0
220.04413	2.2
221.05650	1.1
224.04640	1.3
225.05522	1.1
226.06229	2.3
228.04047	1.6
229.02428	37.8
230.03233	4.0
230.05484	1.7
231.03986	17.1
231.06311	1.2
238.06320	1.8
242.05783	1.5
243.04028	6.2
244.03487	1.9
247.03485	15.0
248.04259	0.8
249.05156	1.7
250.06279	1.4
252.04124	2.7
254.05569	1.8
256.03653	5.8
256.07245	1.1
257.04367	3.7
258.05099	1.7
259.03357	1.2
266.05576	4.5
270.05136	3.5
270.07755	1.4
272.09354	1.9
273.01364	0.9
278.05618	1.4
280.03543	2.3
281.09244	1.4
282.07590	5.4
284.06625	7.8
288.01328	1.1
290.05716	0.8
291.07608	1.3
292.03769	1.0
294.05002	13.2
298.04669	0.9
300.11423	1.2
301.09772	1.1
310.04727	1.8
312.06055	9.0
314.09268	2.2
315.10043	2.9
320.03278	2.1
322.04300	1.1
323.10257	11.4
333.08649	23.4
334.04791	3.0
334.09531	11.3
335.10150	5.4
336.06470	1.6
343.09787	1.7
346.04626	1.7
347.10324	3.1
348.10126	1.3
356.10474	0.9
360.09766	2.7
361.10538	1.1
362.04071	12.3
362.11234	1.6
363.04581	1.1
363.12280	1.8
379.02158	2.2
380.05392	1.2
388.13028	3.5
390.03525	19.1
390.08395	1.0
390.92365	0.9
391.04218	1.2
392.07361	0.8
398.11307	4.0
402.05890	1.0
408.04608	3.6
416.12390	34.7
417.12622	1.2
438.10904	2.5
440.12805	1.7
444.11853	5.0
466.10507	3.3
468.11826	2.4
486.12808	1.4
494.09824	35.6
495.10651	1.8
500.10828	10.7
510.12500	1.5
512.10846	43.2
513.11365	1.8
514.93805	0.9
530.11841	19.4
530.19238	1.3
542.16797	2.4
544.13489	1.3
570.16370	5.0
598.16077	10.8
604.17072	78.7
605.17200	6.1
616.17102	50.1
617.17639	3.5
630.15570	1.1
648.19714	75.7
649.20044	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	648.265
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20193	0.6
70.06582	0.7
70.59927	0.4
71.40900	0.5
91.05483	0.5
95.01340	2.5
97.02910	0.9
103.05447	1.2
112.03969	2.1
131.04926	2.9
140.03426	20.2
147.04443	0.8
151.03973	0.7
153.54024	0.4
168.02916	100.0
169.03271	1.5
172.67381	0.4
207.08424	0.6
219.04134	0.6
230.08110	0.6
256.45642	0.5
272.09161	87.6
273.09561	1.9
379.11414	0.7
648.29980	0.6
649.14880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	2.4
73.06551	2.6
79.05478	6.6
81.07030	2.5
83.26888	2.1
87.04460	30.9
89.06033	11.4
91.05464	6.2
93.07046	3.2
95.04947	8.1
95.08579	3.2
103.05469	4.0
105.03371	14.9
105.07025	100.0
106.07355	12.9
107.08560	2.4
119.08552	6.7
125.26053	2.4
131.07007	2.9
131.08551	3.9
133.08598	3.4
145.10045	2.8
184.07376	5.0
202.33440	2.2
225.12592	2.8
253.15837	2.7
313.17883	11.1
648.23303	2.9
648.31781	29.6
648.41882	5.0
650.01117	2.8
678.89795	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	648.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03941	0.6
55.01872	0.4
58.26982	0.3
59.04992	1.3
62.64086	0.3
71.48427	0.3
73.02921	1.9
73.06576	0.4
74.06069	0.5
74.09701	0.9
77.03921	0.9
78.99510	0.6
79.05489	6.1
87.04464	3.1
89.06025	7.3
91.05474	12.4
93.07035	2.1
95.04973	3.8
98.22665	0.7
102.06792	0.5
103.05460	7.0
103.07584	0.7
105.07022	100.0
106.07351	2.8
107.04949	1.8
107.29810	0.4
113.00004	1.4
115.05453	0.6
116.06223	0.8
117.06984	1.4
119.04913	1.9
119.08561	5.5
121.06498	22.9
122.06810	0.5
127.01556	22.1
128.06201	1.6
129.07002	3.1
131.07663	0.5
131.08562	7.8
132.05698	1.1
133.06509	0.5
133.08597	4.4
133.10141	0.9
135.08038	0.6
139.01526	5.5
145.06482	1.1
147.08037	40.6
148.08360	0.4
149.09595	7.0
153.03099	21.0
156.93541	0.4
163.11157	0.5
165.09152	1.8
166.07811	0.6
173.09637	0.8
177.11214	1.1
179.08530	0.6
181.10138	1.8
183.04178	1.8
191.36076	0.3
195.11681	0.4
197.05721	9.8
208.08839	0.5
209.11749	1.2
215.06770	0.9
221.09599	0.5
223.11136	1.8
225.12717	18.1
226.13057	0.7
227.06776	1.1
241.08266	2.3
249.12631	1.6
251.14328	3.0
259.09412	1.4
265.77859	0.5
269.15326	3.4
270.15817	0.4
271.09387	0.8
285.10818	0.9
289.93604	0.4
303.11978	0.6
313.18008	2.0
329.13681	0.4
329.18979	0.5
373.21640	3.4
374.22296	0.5
423.17776	3.0
527.16522	0.7
527.24017	9.4
528.24390	0.4
584.90521	0.4
631.30365	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	649.2251
Annotation	Caylin-2
Peak:m/z	Relative Intensity
58.02650	0.4
59.04976	0.6
60.16605	0.4
73.02914	0.6
76.81110	0.4
84.90658	0.4
85.02924	0.4
87.04464	1.3
89.06030	1.4
91.05516	0.4
104.52200	0.4
107.04996	0.4
115.27728	0.5
133.08588	0.7
138.05476	4.7
159.04404	0.4
167.07079	0.9
177.11276	0.4
201.30315	0.4
207.08105	0.5
232.07079	0.5
249.09103	0.5
271.14404	0.7
307.09665	0.5
327.12149	3.1
332.10043	0.4
339.12271	2.5
347.08698	0.6
361.10367	2.0
362.11258	2.0
363.12106	0.8
369.14020	0.4
377.09723	2.1
392.12177	3.0
423.15936	0.4
452.14276	3.6
453.15030	1.1
589.20404	1.4
595.90051	0.5
601.20575	0.6
619.21704	0.8
649.22449	100.0
650.22693	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	649.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02423	0.1
53.03932	0.2
58.61610	0.1
60.36049	0.1
61.28842	0.1
64.33106	0.1
65.03922	0.4
67.05493	0.2
69.07036	0.1
71.04377	0.1
71.42689	0.1
78.03435	0.6
79.04227	0.1
86.42319	0.1
87.04463	7.9
88.04794	1.1
89.06008	0.1
91.05463	0.1
92.04998	1.2
93.05756	0.3
94.06566	4.4
96.04486	0.7
106.02912	0.6
110.06039	3.4
124.03931	0.3
131.07047	0.2
138.05492	100.0
139.05844	1.6
154.05006	0.3
177.05542	0.1
199.08676	0.2
219.12260	0.1
243.07608	0.5
263.11777	0.1
323.14340	0.1
494.18884	0.3
533.06146	0.1
649.27539	11.0
650.27820	1.0
664.53986	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	649.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.1
65.03905	0.4
67.04200	0.1
67.05470	0.3
70.55730	0.3
73.97298	0.1
78.03438	0.8
87.04433	0.2
89.06035	0.2
92.05007	1.1
93.05770	0.4
94.06562	4.4
96.04476	0.7
105.33869	0.1
106.02898	1.2
110.06033	3.8
135.91505	0.1
138.05489	100.0
139.05835	1.5
154.04947	0.2
199.08719	0.4
202.65901	0.1
243.07640	1.8
327.12448	0.2
452.14539	0.1
460.34619	0.1
605.28748	0.1
649.27985	19.1
650.28320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18916	0.7
69.07050	2.9
70.32207	0.7
71.41493	1.0
93.05788	1.1
94.06550	5.4
94.79414	0.7
95.04973	1.0
110.06003	0.9
116.04971	1.1
120.04436	1.2
121.02850	1.2
122.06028	9.0
124.07581	1.8
134.05998	0.9
136.07465	1.2
138.05528	2.3
140.07042	17.9
144.04456	1.2
146.05974	5.3
147.06723	1.4
163.03932	0.8
169.01353	0.9
172.03932	7.3
174.05499	6.8
176.07077	1.4
190.04962	5.2
197.10739	0.9
204.06548	9.9
206.08057	3.8
209.10686	1.9
210.11603	1.2
212.09447	2.4
216.10152	0.9
222.11612	1.0
223.12282	3.3
225.10207	6.9
226.10890	1.2
227.11868	1.8
229.13333	1.7
234.08994	1.0
235.08694	2.2
235.12254	1.2
236.09377	5.1
237.10191	19.4
238.10957	1.8
239.11792	4.1
241.09451	0.8
249.10199	3.2
250.11066	3.3
251.08066	1.2
251.08900	1.3
251.11777	21.4
252.08949	4.4
252.12431	2.9
252.65651	0.8
253.09732	6.6
253.13547	1.3
254.10205	1.2
255.11267	5.4
257.12927	1.4
261.12463	1.7
264.08820	2.1
265.09711	27.3
266.10413	5.3
267.11249	21.3
268.11847	1.1
269.12738	1.8
270.95340	0.9
271.10745	0.8
278.06601	1.6
278.10519	1.9
279.11230	23.7
279.14069	1.6
280.08511	1.0
280.11902	2.9
281.09509	1.0
281.12750	3.3
282.10187	1.4
283.10721	7.1
284.11530	2.7
285.12387	4.6
287.13919	3.2
291.11319	1.8
293.09192	20.8
293.12457	1.4
294.09836	3.9
295.10745	26.7
296.11340	1.3
297.12311	7.0
307.10751	9.4
309.12323	7.5
310.13052	0.9
311.10297	2.7
312.10968	4.6
313.11780	22.8
314.12228	1.2
324.11026	2.0
325.11789	35.4
326.12222	2.3
327.13303	1.8
331.12988	2.3
335.10229	23.2
336.10733	2.0
337.11984	2.0
341.15033	1.6
343.13293	0.9
345.14392	6.3
353.11285	79.7
354.11795	7.3
355.12845	8.1
357.14743	1.3
358.15643	1.8
369.14499	1.0
384.12848	0.9
385.13925	13.0
386.14499	1.9
387.15424	5.1
398.14532	1.7
399.15799	2.6
400.16519	4.5
417.16821	1.1
418.17450	1.0
450.20041	1.0
452.17987	1.1
458.17084	3.3
459.17892	2.2
466.19803	4.4
476.17966	1.2
494.19165	100.0
495.19379	6.8
498.22577	1.5
508.20850	1.6
526.21844	15.1
527.22375	0.9
581.23883	1.0
599.24847	13.3
649.30402	2.5
667.68744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01849	1.7
55.05504	7.6
57.07064	2.0
59.04982	1.4
65.03935	2.6
67.05500	12.4
68.88862	1.2
69.03418	4.3
69.07055	6.3
71.04996	1.7
73.06538	1.9
74.65961	1.0
79.05479	11.8
79.91574	0.9
81.03408	16.7
81.07047	12.2
83.04978	6.0
83.08601	2.1
85.02873	1.6
87.04457	5.5
87.19044	1.0
89.06012	2.8
91.05469	21.9
93.03391	1.1
93.07037	16.3
95.04944	8.9
95.08591	15.6
97.02886	4.5
97.06528	2.7
103.05460	2.3
105.03368	3.1
105.04531	2.4
105.07014	54.8
106.07343	5.2
107.04942	1.8
107.08582	16.5
109.02856	2.7
109.06526	5.0
109.10125	7.0
111.04433	18.6
111.65469	1.0
115.05418	2.4
115.07553	45.4
116.12103	1.0
117.07021	6.5
119.04914	2.7
119.08566	37.5
120.08894	1.0
121.06482	7.0
121.10149	14.1
123.08027	5.6
125.02368	1.3
125.05983	2.6
127.01585	1.3
127.03909	16.6
128.06216	7.3
129.06999	9.0
130.07765	3.1
131.04944	1.0
131.08545	19.5
133.06511	3.6
133.08595	2.6
133.10103	23.3
134.07246	3.6
135.08029	4.9
137.05927	2.1
137.09584	0.9
139.07468	1.7
141.05612	1.1
141.05940	1.1
141.06895	6.2
142.07774	8.7
143.07063	5.0
143.08546	18.5
144.09325	3.2
145.06453	2.6
145.10106	36.7
146.10616	1.3
147.08038	4.6
147.11656	15.2
149.05946	1.4
149.09627	3.0
151.07489	2.0
152.06215	2.2
153.05507	1.0
153.06941	2.4
154.07744	2.9
155.07225	2.1
155.08501	13.6
156.09329	13.4
157.10094	30.3
158.10870	6.2
159.08069	4.9
159.11688	22.5
161.09637	6.3
161.13272	1.7
163.07568	2.0
165.06937	5.0
165.09097	2.0
166.07738	2.5
167.08542	8.2
168.09319	4.7
169.10104	22.4
170.10902	13.7
171.08080	2.3
171.10126	1.6
171.11665	23.1
172.08827	1.4
172.12473	6.1
173.09593	9.5
173.13226	16.2
174.10362	1.1
175.07579	2.4
175.11162	4.1
175.14781	3.2
177.09084	1.8
178.07762	4.2
179.08540	9.4
180.09357	5.7
181.08534	1.9
181.10078	16.2
182.10870	6.2
183.08115	2.0
183.11665	37.6
183.13316	2.0
184.12405	3.7
185.09618	5.8
185.13226	12.1
186.10277	1.7
186.13931	1.3
187.07605	1.5
187.11197	9.0
187.14789	32.4
188.11929	6.1
188.15453	2.3
189.09105	4.2
189.12640	1.9
191.08560	1.3
192.09319	8.4
193.08467	1.8
193.10091	13.9
194.10870	6.5
195.07991	1.8
195.11644	15.9
196.08810	1.1
196.12483	7.9
197.09607	3.5
197.13242	35.3
198.14023	22.9
199.11205	4.0
199.14804	8.2
201.09076	4.6
201.12756	6.4
203.10626	1.2
203.14299	17.8
205.10101	3.5
205.15823	4.3
206.10892	6.0
207.11659	23.6
208.12492	4.9
209.09583	2.6
209.13226	14.2
210.10553	1.6
210.13985	2.3
210.84048	1.0
211.11172	7.1
211.14774	14.6
213.09100	3.3
213.12750	1.3
213.16364	4.2
215.10715	5.1
215.14253	11.9
216.15073	4.5
219.11679	9.1
220.12431	10.5
221.09586	3.0
221.13242	12.4
222.13893	2.3
223.11230	2.5
223.14746	8.2
224.12071	1.1
224.15526	1.2
225.09158	1.9
225.12717	10.0
225.16263	6.2
227.10675	2.3
227.14354	1.3
229.12204	1.9
229.15813	2.2
231.10196	3.1
233.13326	1.8
234.13988	9.2
235.11153	5.4
235.14758	17.1
236.11807	1.7
236.15492	3.5
237.12737	3.5
237.16313	3.2
239.10622	6.4
239.14293	3.5
239.17868	6.2
241.12166	2.3
241.19484	1.6
243.13850	1.2
244.12508	2.3
247.11177	2.4
249.12666	1.7
249.16368	25.6
251.14270	2.2
251.17955	8.2
252.15102	1.2
253.12172	8.0
253.15863	5.8
255.13771	2.2
257.11685	2.0
257.15359	1.3
259.14850	1.4
262.13553	3.1
265.12219	1.4
266.12869	1.3
267.13754	3.9
267.17413	15.6
269.15381	2.7
269.18881	2.2
271.14056	1.0
271.16782	5.3
277.15796	15.4
280.14523	2.3
283.16870	2.5
285.15311	2.0
285.18427	9.8
295.16882	82.6
296.17191	2.6
313.17932	100.0
314.18283	3.1
331.18964	4.6
355.18945	7.9
373.19934	1.6
570.82336	1.1
621.79132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67620	0.3
53.03928	1.2
55.01854	0.8
57.03424	1.2
57.07071	4.2
60.96891	0.4
61.02916	1.5
64.08815	0.4
64.62296	0.4
65.03931	1.1
65.89368	0.3
67.05482	0.4
68.99785	0.4
69.03425	5.5
70.06583	0.4
70.98727	0.4
71.01398	0.4
71.04962	0.6
73.02903	0.7
80.62360	0.3
81.03408	4.1
85.02899	13.6
87.00827	6.4
91.05489	0.5
95.04937	0.4
96.04479	1.6
97.02882	4.7
99.04446	1.8
103.03915	0.4
105.01857	6.8
109.02876	4.6
111.04459	0.4
117.01838	0.4
117.06980	0.4
120.00500	0.4
121.02863	2.5
121.04017	0.4
127.03894	7.2
129.01830	0.8
145.04965	2.7
149.02327	100.0
150.02690	1.8
150.04117	0.3
151.03867	1.1
159.02884	1.1
163.03905	1.1
164.04211	0.6
166.95737	0.4
167.03380	7.2
177.05469	0.5
181.04951	0.5
183.10118	0.3
190.04924	0.4
205.08618	1.2
213.03986	0.6
223.09639	14.8
224.09885	0.4
229.82524	0.4
231.05040	2.1
249.06029	0.5
548.03357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81270	0.2
51.02376	0.3
53.03938	0.3
55.05492	0.3
57.07045	0.3
57.80517	0.2
59.01154	0.2
65.03939	1.4
67.05495	1.1
67.48935	0.3
69.03429	0.2
69.07055	0.7
69.09605	1.0
69.10015	0.6
70.04049	0.5
76.25919	0.2
78.03445	3.2
79.04229	0.3
79.05487	1.4
80.05009	5.2
81.07043	1.1
83.04980	0.3
89.06042	0.4
91.05481	1.7
93.03415	0.3
93.07053	1.5
95.04965	0.9
95.08590	2.0
96.04483	5.0
96.36989	0.2
97.02905	0.6
105.07021	3.2
106.02910	6.8
107.04942	0.6
107.08588	1.5
109.06503	0.8
109.10134	0.5
111.04409	0.3
111.08027	0.3
115.05473	0.3
117.07037	0.7
119.08572	4.6
121.02859	22.2
121.06477	0.4
121.10143	2.2
122.03178	0.3
123.08046	0.8
124.03941	100.0
125.02369	0.3
125.04300	1.6
127.03915	0.3
128.06213	0.7
129.06985	0.6
130.07813	0.4
130.08690	0.3
130.09666	0.3
130.15944	1.4
131.08556	2.0
133.06483	0.3
133.10127	3.3
134.07253	0.2
135.08038	0.8
135.11697	0.3
137.09599	0.2
139.03859	0.4
141.06990	0.3
142.07765	0.9
143.08539	1.4
144.09291	0.5
144.34512	0.2
145.06473	0.3
145.10100	3.1
147.08028	0.5
147.11681	1.5
149.09613	0.7
153.05475	0.3
154.07768	0.4
155.08571	0.9
156.09314	1.1
157.10103	2.6
158.10863	0.4
159.08003	1.1
159.11676	3.2
160.12375	0.3
161.09630	1.0
161.13246	1.1
166.07797	0.3
167.07172	0.3
167.08592	0.3
168.09384	0.3
169.10089	1.1
170.10925	1.1
171.08118	0.4
171.11671	2.3
172.12468	0.5
173.09598	0.8
173.13280	2.6
174.10381	0.3
174.13986	0.7
175.11168	0.8
175.14810	0.8
179.08513	0.6
180.09430	0.2
181.10057	0.5
182.10974	0.3
183.11633	2.1
185.09689	0.4
185.13199	1.4
187.11147	0.8
187.14798	3.9
188.11974	0.3
188.15500	0.5
189.12740	0.6
189.16400	0.3
194.10960	0.5
195.08096	0.3
195.11659	0.9
197.13255	0.9
198.14046	1.3
199.11205	0.6
199.14839	1.3
201.09082	0.5
201.12749	1.1
202.13405	0.3
203.14267	1.8
207.11699	0.8
208.12465	0.3
209.13264	0.8
211.11156	0.4
211.14804	0.5
213.09071	0.4
213.12758	0.3
213.16327	0.4
215.14343	0.5
216.15103	1.5
217.15866	1.0
221.13292	0.3
222.14035	0.4
223.11272	0.6
223.14771	0.8
225.12741	0.3
226.05054	0.3
227.10558	0.2
227.14148	0.3
229.15779	0.3
231.10071	0.7
237.12746	0.3
237.16397	0.3
239.17937	0.5
241.12254	0.4
241.15886	0.8
244.06009	0.3
245.11688	0.3
247.09679	0.5
247.14867	0.4
249.16438	0.4
255.17401	1.0
265.15860	1.2
269.15341	0.7
275.14267	0.3
283.13763	0.4
283.16956	1.4
287.16391	2.2
293.15149	0.5
301.18002	1.5
311.16388	3.7
329.17413	7.4
330.17648	0.4
348.00113	0.3
452.20578	0.7
470.21753	0.7
512.22784	1.7
530.23859	0.5
590.23621	0.3
649.51587	0.3
650.25928	6.6
650.37512	0.6
651.26282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.9
51.02375	1.6
53.03952	2.3
55.01865	0.6
55.05503	1.1
57.03434	0.3
59.05008	0.3
61.65221	0.2
65.03941	0.4
67.05503	3.4
69.03425	0.8
69.07055	0.5
70.04057	0.6
71.04983	1.1
73.02894	0.4
77.03918	2.6
79.05487	1.8
81.03412	0.4
81.07047	3.1
81.39586	0.2
83.04975	1.8
85.02918	0.3
87.04469	0.8
89.06030	1.2
91.05461	2.2
93.07043	2.4
95.04964	16.9
95.08601	0.9
97.02882	3.2
97.06530	0.6
103.05404	0.3
105.03387	100.0
105.04405	6.8
105.07013	5.9
106.03097	0.2
106.03687	1.2
106.07370	0.4
107.04980	0.3
107.08571	1.6
109.06510	0.9
109.10136	0.5
111.04434	2.3
111.08060	0.6
113.06024	0.3
115.05479	0.4
117.07011	0.6
119.08566	3.7
121.06520	1.2
121.10162	1.2
123.04437	0.4
123.08073	1.0
124.03935	0.8
126.62383	0.2
127.01545	0.5
128.06226	0.4
129.07016	1.0
131.08572	1.5
133.06509	1.4
133.08580	0.8
133.10120	2.1
135.08023	1.6
135.11693	0.4
137.05995	0.7
139.01563	0.6
139.07478	0.4
141.05476	1.7
141.06976	0.3
142.07785	0.9
143.08575	1.9
145.10132	1.7
147.08037	2.2
147.11684	1.1
149.09605	1.0
151.07567	0.6
155.07028	4.4
155.08551	0.8
156.09319	1.6
157.10100	3.5
158.10806	0.3
159.08067	0.9
159.11674	1.3
161.09616	0.7
161.13281	0.7
163.07570	0.4
163.11221	0.5
165.06982	0.3
165.09129	0.6
166.07738	0.5
167.08537	0.7
169.10130	1.6
170.10921	0.9
171.08031	0.3
171.11684	4.7
172.12410	0.5
173.09599	1.5
173.13232	1.8
174.10384	0.6
175.07585	0.3
175.11150	2.1
177.09119	0.5
177.11255	0.4
179.08562	0.9
180.09276	0.4
181.08682	0.5
181.10123	1.7
182.10930	0.6
183.11674	1.7
185.09602	1.1
185.13268	2.2
186.10434	0.6
187.11171	1.5
189.12729	6.1
191.14357	0.6
192.09224	0.3
193.10173	2.1
194.10901	1.0
195.08113	0.3
195.10146	0.4
195.11729	1.8
197.09610	0.3
197.13286	1.0
198.10371	0.3
199.07478	0.3
199.11134	1.7
199.14827	0.6
200.11934	1.7
201.12715	2.0
203.10695	0.4
203.14207	0.3
206.10890	0.3
207.11710	1.7
207.13832	1.6
208.12408	1.8
209.09729	0.5
209.13251	2.8
210.10419	0.5
211.11209	0.9
211.14757	0.4
213.12784	2.9
213.16371	0.5
214.13287	0.3
215.10728	0.4
215.14233	0.4
217.10292	0.4
217.12259	1.0
219.13736	0.5
221.13263	1.0
222.10449	0.4
222.14037	0.5
223.11295	0.5
223.14795	5.2
224.15527	0.2
225.12709	1.6
227.10707	0.4
227.14348	1.3
229.12253	0.3
231.13806	0.5
232.12427	0.3
233.07875	0.3
233.13254	0.6
235.11212	0.6
236.11948	0.4
237.12700	0.4
237.16452	1.1
239.14337	0.3
241.12160	0.4
241.15875	1.2
243.13837	0.4
245.11676	0.4
247.14977	0.6
250.13564	0.3
251.14348	3.6
253.12207	0.5
255.13994	0.4
255.17455	0.5
259.16949	0.5
261.11252	0.4
265.15869	2.4
267.13950	0.3
267.17377	0.3
269.11795	0.3
269.12259	0.3
269.15353	2.5
271.13187	0.3
273.18393	0.3
275.14441	0.3
283.16895	3.5
285.14890	0.6
287.16357	1.8
293.15237	1.7
301.17896	3.4
302.18307	0.4
303.15884	0.4
311.16394	6.5
312.16782	0.3
319.18927	0.3
324.68539	0.2
329.17438	20.5
330.17819	0.8
343.15424	0.5
344.41595	0.2
347.18494	7.7
389.19690	1.0
433.20157	0.4
451.21280	1.2
469.22650	0.3
576.93884	0.3
650.29279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.3
56.05035	0.7
57.05810	0.9
60.04519	1.4
60.05650	2.6
65.30125	0.4
65.62809	0.5
69.03442	0.6
69.26289	2.6
70.06589	22.3
72.08150	65.3
77.08804	0.5
81.03423	0.5
84.08139	1.5
85.02905	0.9
86.09709	1.0
87.05585	2.0
88.03998	0.5
93.06931	0.4
97.02891	0.5
97.07631	0.6
98.23406	1.1
100.32883	0.5
101.13024	0.5
103.05481	0.6
109.02899	2.1
110.03214	0.5
112.08738	3.5
113.07101	1.0
114.10287	0.7
115.03930	0.5
115.08685	16.7
116.03468	0.6
116.07085	5.7
120.08098	26.8
121.08468	0.8
127.03916	2.1
128.04247	0.7
129.10201	1.3
130.09773	1.6
133.09729	0.9
134.23447	0.4
143.08150	10.6
143.11795	3.2
144.08087	1.9
158.08002	0.3
158.09235	8.5
159.11311	1.2
162.09108	2.6
165.10237	0.5
169.09802	0.7
171.11232	0.7
175.11882	8.9
177.10320	0.6
185.09279	0.7
186.49806	0.5
187.10802	2.8
189.10219	0.9
190.09758	4.4
197.12865	2.5
200.50723	0.5
207.11266	15.3
217.09746	0.6
217.13414	1.0
224.14027	0.5
235.10779	1.7
240.13434	1.3
242.14998	2.1
245.12909	1.3
258.14569	0.7
288.13284	0.6
305.16083	3.0
311.17047	0.6
322.18826	0.7
336.07794	0.5
359.17148	0.8
392.19299	2.5
411.04010	0.6
429.05130	0.9
441.05115	0.6
491.26166	0.6
531.08270	1.1
632.34705	0.6
633.33612	1.1
650.36133	100.0
651.13037	1.8
651.36548	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	650.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.2
69.03442	0.2
69.41072	1.0
70.06603	0.2
71.04972	0.2
73.02900	0.4
73.06554	0.9
85.02923	0.2
87.04462	100.0
88.04793	0.9
89.06023	22.7
91.05476	0.3
91.42103	0.2
97.02927	0.2
107.07068	0.5
107.08584	0.7
115.07512	0.2
117.09165	1.1
117.09868	0.2
124.03928	0.6
130.50758	0.2
131.07039	3.9
133.08594	13.1
134.09024	0.2
157.08659	0.2
161.11719	0.2
175.09669	1.3
177.11218	4.9
191.14351	0.6
193.10721	0.3
210.83754	0.2
215.96022	0.2
219.10208	0.1
219.12236	3.8
221.13893	0.9
237.46884	0.2
263.14938	0.6
265.16580	0.3
283.17545	0.3
576.78241	0.2
633.36853	0.6
650.38934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.6
58.06603	0.3
60.07874	0.4
60.08164	7.1
61.08232	0.3
67.05487	0.7
69.49952	0.7
69.50338	0.8
70.63008	0.3
71.07374	3.7
74.15501	0.4
74.23084	0.3
86.09703	30.4
95.01700	0.3
95.89330	0.3
96.68661	0.4
98.23407	0.7
98.98460	3.4
104.10754	1.8
125.00001	22.1
155.52788	0.3
167.62589	0.3
183.40694	0.4
184.07336	100.0
185.07686	0.5
194.03194	0.3
356.28580	0.3
650.43927	6.6
672.49066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
51.24702	0.3
53.03936	1.0
55.05485	0.7
57.03423	0.4
61.00867	0.3
62.33315	0.3
67.05491	1.8
69.03423	1.7
69.07050	0.8
69.08517	2.0
71.04984	1.1
73.02925	0.4
78.03448	5.9
79.04232	0.3
79.05482	2.1
80.05003	3.1
81.03408	5.5
81.07040	1.5
83.04959	1.3
85.02822	0.3
87.04447	1.0
89.06008	1.3
91.05473	3.1
93.07030	1.6
95.04962	1.6
95.08591	0.6
96.04485	3.6
97.02882	0.6
97.06503	1.0
97.60677	0.3
99.04446	3.5
103.05473	0.3
103.74688	0.3
105.07020	4.3
106.02905	18.1
107.04932	0.6
107.08583	1.5
108.04467	0.5
109.02873	1.4
109.06500	0.7
109.10137	0.5
111.04405	2.2
115.05423	0.7
117.07011	2.4
119.04931	0.7
119.08571	3.0
121.06490	1.1
121.10131	0.9
123.08077	0.5
124.03939	100.0
125.04276	1.2
125.05978	0.9
127.03899	1.8
128.06187	1.2
128.90849	0.3
129.06990	2.2
130.07745	0.4
131.04915	0.4
131.08553	5.6
133.06479	0.8
133.08600	0.7
133.10117	1.0
135.08058	0.9
138.05481	1.9
139.05757	0.5
141.06946	1.4
142.07742	1.3
143.08527	3.7
144.09293	0.3
145.06509	0.9
145.10114	4.7
147.07976	0.8
147.11745	0.6
153.06989	0.5
154.07706	0.4
155.08539	2.1
156.09297	1.1
157.06465	0.4
157.10085	3.3
158.10835	0.6
159.08055	0.8
159.11694	1.5
161.09595	1.0
161.13264	0.5
163.11176	0.6
165.06990	1.1
166.05003	0.4
166.07782	0.6
167.08560	1.2
168.09335	1.1
169.10120	2.5
171.08160	0.7
171.11659	2.5
173.09624	1.1
173.13243	9.2
174.13617	0.5
175.11211	0.4
178.07767	0.8
179.08553	1.3
180.09351	0.5
181.10094	2.2
182.10927	0.5
183.08044	0.8
183.11703	3.0
185.09619	0.6
185.13210	0.9
187.11046	0.4
187.54759	0.4
189.12740	3.1
191.08548	0.5
191.10649	0.9
191.14316	0.7
192.09200	0.5
193.10086	2.2
194.10857	0.6
195.08029	0.5
195.11673	1.4
197.09653	1.3
197.13206	1.4
199.11212	0.8
199.14571	0.3
201.12708	2.9
204.09404	0.4
205.10149	1.2
206.10918	0.7
207.11641	1.2
209.09651	0.4
209.13214	0.7
211.11179	0.9
213.12749	0.7
215.08560	0.7
215.10492	0.4
217.12256	0.5
219.11768	0.5
219.13731	2.9
220.12440	0.6
221.09633	0.5
221.13263	1.1
223.11160	0.4
225.09146	0.4
225.12740	0.5
229.12161	0.6
230.10881	0.6
232.05882	0.5
233.09663	0.4
234.07565	1.1
234.94931	0.3
235.11159	0.4
235.14839	1.2
237.12717	0.8
243.13672	0.4
245.13152	0.4
249.12508	0.4
250.07088	9.9
251.14218	0.4
253.12224	0.7
253.15834	0.6
263.14236	2.1
271.13312	1.3
281.15289	1.7
291.13660	0.6
294.43143	0.4
299.16357	0.4
309.14838	1.3
327.15860	1.7
331.09708	0.3
331.76245	0.3
345.16940	0.4
365.20029	0.3
369.16910	0.5
373.75610	0.3
394.16318	0.4
404.18625	1.7
404.23102	0.3
404.64154	0.3
420.18295	0.4
422.19644	1.3
432.18146	1.9
433.18384	0.4
450.19095	5.0
468.20117	3.4
486.21262	0.7
489.72211	0.3
510.21179	3.5
511.21194	0.3
528.22174	8.1
529.22601	0.4
573.22101	0.6
591.23169	0.4
633.24219	0.5
644.84235	0.3
651.26416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03937	0.8
55.01864	0.4
55.05507	0.5
55.53334	0.2
57.03430	0.3
65.03938	0.4
65.14000	0.2
67.05499	1.2
69.03423	1.5
69.07059	0.5
71.04996	1.1
78.03004	0.4
78.03454	6.0
79.05499	1.8
80.05013	2.8
81.03413	5.6
81.07059	1.3
83.01344	0.3
83.04984	1.6
91.04940	0.3
91.05480	4.2
93.07052	1.7
95.04969	1.4
95.08593	1.3
96.04491	3.6
97.02882	0.7
97.06512	1.1
99.04449	3.2
103.05450	0.5
105.07030	3.5
106.02911	17.9
107.03255	0.3
107.04937	0.6
107.08575	1.2
109.02871	1.7
109.06534	0.6
111.04449	1.9
115.05479	0.5
115.88129	0.2
117.07020	2.8
117.53658	0.3
119.04948	0.6
119.08575	3.3
121.06499	0.9
121.10182	0.3
123.08064	0.3
124.03947	100.0
125.04290	1.0
125.06010	0.6
127.03904	1.6
128.06197	1.1
129.07014	1.8
130.07758	0.6
131.04910	0.5
131.08560	5.3
133.06491	0.8
133.10106	1.0
135.08051	0.8
135.11624	0.4
135.23685	0.3
137.05960	0.4
141.07034	1.4
142.07777	1.3
143.08556	3.8
144.09355	0.4
145.06467	0.9
145.10117	6.1
147.08046	0.6
147.11681	0.4
149.06006	0.3
149.13254	0.3
153.06999	0.8
154.01926	0.2
154.07697	0.4
155.08566	3.3
156.09367	1.5
157.10117	3.3
158.10893	0.7
159.08058	0.8
159.11699	1.6
161.09596	0.5
161.13203	0.4
163.07549	0.3
163.11182	0.5
163.14673	0.3
164.28670	0.2
165.07062	1.2
166.07782	0.3
167.08562	1.4
168.09300	1.2
169.06497	0.2
169.10130	2.3
171.08003	0.5
171.11702	2.7
173.09673	1.8
173.13249	9.2
175.11249	0.3
178.07797	0.9
179.08533	1.5
180.09303	0.5
181.10109	2.0
182.10895	0.7
183.08044	0.4
183.11688	2.4
185.05966	0.3
185.09631	0.7
185.13269	0.6
187.11177	0.6
189.09131	0.3
189.12744	3.3
191.08586	0.6
191.10657	1.1
191.14325	0.5
192.09337	0.9
193.10118	1.7
194.10774	0.5
195.08072	0.4
195.11732	1.4
197.09636	1.0
197.13246	1.0
199.11198	0.9
201.12730	2.5
203.08664	0.4
204.09332	0.3
205.10147	0.7
206.10948	0.8
207.08058	0.3
207.11638	1.1
209.09631	0.6
209.13274	0.9
211.11168	1.0
211.14801	0.4
212.11888	0.3
213.12724	0.5
215.10844	0.2
217.10274	0.3
217.12210	0.5
219.11826	0.4
219.13782	3.1
220.12419	0.6
221.09558	0.4
221.13252	0.9
223.11185	0.5
223.14703	0.3
225.12720	1.0
225.16391	0.3
227.10519	0.3
229.12227	0.6
230.10916	0.5
232.06032	0.6
233.09552	0.4
233.13359	0.3
234.07674	0.9
235.11182	0.4
235.14915	1.2
237.12704	0.7
239.10689	0.4
239.14404	0.4
245.13292	0.7
248.11961	0.6
249.12761	0.4
250.07104	8.7
251.07390	0.3
251.14340	0.9
253.12282	0.7
253.15788	0.7
263.14328	1.1
265.12274	0.3
271.13269	1.2
273.12817	0.3
281.15323	1.6
285.14737	0.3
291.13788	0.9
299.16412	0.7
309.14868	1.6
327.15875	1.7
345.16998	0.5
386.17444	0.4
404.18573	1.7
422.19809	1.5
432.17981	2.3
438.19965	0.3
450.13156	0.5
450.19080	5.4
468.20154	4.2
469.20630	0.3
486.21274	0.5
510.21140	4.7
528.22290	6.5
529.22559	0.5
573.21863	0.4
591.23254	0.7
633.23523	0.6
651.25494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04996	1.4
68.99781	4.3
69.03399	1.0
69.09682	6.0
70.06242	1.3
70.06588	17.9
73.06424	1.0
80.04996	3.3
81.04530	15.8
81.19463	1.1
82.05298	1.6
83.06090	1.4
83.98261	1.0
84.04494	4.0
85.02894	2.2
91.05463	5.3
93.04491	2.3
95.04951	1.9
95.06096	3.4
97.02893	1.7
103.05461	15.2
105.01874	1.4
105.03368	1.2
105.07008	2.0
107.04971	0.9
107.06062	7.8
109.03995	13.4
111.05547	3.2
112.08739	9.0
115.05447	16.9
115.38381	0.9
119.04875	1.0
119.06061	2.5
119.08534	1.2
121.03996	1.5
126.05585	1.0
127.03902	1.2
127.05004	1.4
129.06979	4.3
130.05008	1.5
130.06520	1.2
130.09781	6.3
131.04916	55.7
132.05322	1.8
133.04062	0.9
135.05522	10.8
137.06085	1.0
137.07088	1.1
138.01825	2.4
141.06979	1.2
142.06512	8.6
145.03909	1.2
145.06487	1.1
147.04410	1.1
147.05493	3.6
153.06996	1.6
155.04893	4.5
156.08110	1.1
157.06514	2.1
161.03452	4.2
163.03813	1.1
163.05042	11.3
165.06599	4.8
166.01352	2.8
166.99739	2.3
167.02148	1.9
168.02866	2.2
168.08076	1.5
170.05925	5.4
172.07578	1.4
173.03452	5.0
176.03441	1.4
177.06587	2.7
178.01289	1.2
180.07999	1.3
181.06248	1.2
182.05940	1.4
182.09633	1.4
184.02385	1.1
184.07564	2.3
185.00772	4.1
187.05003	1.7
189.02975	1.4
189.06648	2.0
190.04991	1.0
191.04556	6.7
192.02864	4.3
196.07600	1.8
198.09119	1.9
199.03850	2.2
203.04343	1.5
205.06021	7.9
206.09694	1.8
210.05608	1.9
210.09071	2.9
212.07019	12.9
215.04501	1.5
218.00803	4.4
218.04382	9.1
224.07022	3.6
225.05386	1.7
230.08044	1.7
233.05559	10.1
233.10864	1.1
234.09076	1.2
236.07108	1.0
238.05031	6.5
238.08585	2.4
241.04909	4.2
245.10602	1.7
250.08362	2.1
252.06503	3.8
254.05615	1.1
254.08078	3.6
254.52914	1.0
256.06036	3.3
261.10263	1.6
266.08105	1.5
270.07687	1.2
271.05917	1.7
271.08517	1.8
272.01886	1.5
273.10248	1.2
275.08130	1.2
278.07687	2.0
280.06030	37.3
281.06393	1.6
283.06039	1.7
285.07352	1.7
287.05539	1.8
288.01224	1.1
289.09766	2.9
291.89316	1.1
293.08331	1.2
294.07471	1.8
296.09082	3.9
298.07001	3.4
301.09778	1.3
317.09079	1.8
319.10626	2.0
322.06998	5.8
322.10645	3.6
327.04816	1.5
340.11554	2.9
345.08646	2.8
348.08640	2.9
352.05554	3.0
374.06500	1.1
382.13974	12.7
384.12299	36.1
385.12524	2.1
392.07587	1.4
398.13751	1.8
404.07520	1.6
408.04602	2.3
426.13522	7.8
442.10129	1.3
452.10251	4.6
456.11862	2.7
464.14920	1.8
466.10382	2.2
494.09879	1.3
496.13574	1.1
508.13446	3.9
512.10779	14.2
524.13184	3.2
526.15070	1.3
536.13104	1.8
544.18481	1.9
554.14545	4.4
560.17822	2.0
570.16418	1.6
572.17908	6.0
588.17755	6.6
590.19049	1.9
598.15942	7.3
608.19214	1.3
616.17084	100.0
617.17474	7.3
634.18164	27.9
635.16980	4.1
652.07922	1.0
652.19037	29.8
653.19189	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	652.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.6
51.02378	2.1
53.03929	0.8
55.05500	2.7
55.20078	0.6
58.72662	0.6
59.04990	0.8
65.03932	1.0
67.05500	3.1
69.03410	1.3
69.07061	2.1
69.11226	0.6
69.46172	1.3
69.46558	1.3
71.04980	0.9
77.03941	0.6
78.03003	1.2
78.03447	22.7
79.05476	5.5
80.04998	2.1
81.03414	1.0
81.07057	3.6
83.04979	1.0
85.02908	0.7
87.04456	1.4
89.06006	1.0
91.05467	11.0
93.07035	10.2
95.04957	3.9
95.08586	4.2
96.04484	5.7
97.06490	0.8
103.05443	1.2
105.07018	19.4
106.02908	100.0
107.03252	1.8
107.04893	0.6
107.08580	7.6
109.02888	0.6
109.06532	4.4
109.10125	1.8
111.04438	1.0
111.08099	0.6
115.05454	1.3
117.07030	4.3
118.07851	0.7
119.04908	1.5
119.08575	23.6
121.06470	1.5
121.10158	4.8
123.08104	2.3
123.11666	1.2
124.03944	78.3
128.06187	3.2
129.07025	4.0
130.07764	1.4
131.08546	7.0
133.06487	1.1
133.10114	10.6
133.11040	1.1
135.08049	2.1
135.11681	1.5
137.02333	2.2
137.05974	1.6
141.06960	3.4
142.07790	5.5
143.08557	11.3
144.09290	1.1
145.06487	1.1
145.10118	6.5
146.48666	0.6
147.08086	4.0
147.11668	26.7
148.12280	0.6
149.05925	1.2
149.09613	1.0
149.13138	0.6
151.07559	2.4
152.06270	0.7
153.06929	0.8
154.07712	1.2
155.08548	4.9
156.09334	4.0
157.06656	0.7
157.10112	13.7
158.10936	7.2
159.08058	2.0
159.11682	5.9
161.09621	9.8
161.13202	5.8
162.10402	0.7
163.07549	1.5
163.11139	3.0
165.06979	2.7
165.09094	0.8
167.07114	1.0
167.08560	2.4
168.09322	2.2
169.10100	8.4
170.10872	3.6
171.08052	1.1
171.11690	6.4
172.12445	7.8
173.09599	2.4
173.13246	2.8
175.07518	1.3
175.11169	3.1
175.14842	1.1
176.11954	9.0
176.15518	3.6
177.09190	1.1
178.08641	15.2
179.08490	3.7
180.09344	1.5
181.10107	4.7
182.10883	2.3
183.08020	1.3
183.11679	7.4
184.07410	1.0
184.12433	1.1
185.09644	1.0
185.13222	5.4
187.07545	0.9
187.11174	2.6
187.14838	2.3
189.09093	1.6
192.09346	1.9
193.10124	4.6
194.10860	3.1
195.08093	0.8
195.11723	5.8
196.12456	2.2
197.09532	3.0
197.13254	5.7
198.10448	0.8
198.13966	1.0
199.11218	0.9
199.14700	0.9
201.08978	1.5
201.12735	0.7
203.10672	1.5
203.14262	5.3
205.10144	1.0
206.08092	3.1
206.10931	1.3
207.11665	6.8
208.12465	1.8
209.09668	0.8
209.13243	6.0
210.10306	0.7
210.13968	1.4
211.11121	2.1
211.14751	3.1
213.09061	1.4
215.10683	2.7
215.14322	1.1
219.11787	1.1
220.12497	1.5
221.13202	5.5
222.14052	1.6
223.11127	1.0
223.14836	3.1
224.09155	47.0
225.09280	1.4
225.12779	1.3
225.16368	4.1
227.10681	1.8
229.12138	1.5
231.10152	1.2
234.14032	2.0
235.14771	2.9
236.15558	2.4
237.12689	1.0
237.16371	0.8
238.13275	0.8
239.10556	1.4
239.14259	1.0
239.18013	0.9
241.12263	2.8
243.13724	0.8
249.16383	4.5
251.17909	3.7
253.12119	3.3
253.15921	3.8
255.13751	2.0
257.11810	0.9
267.13675	1.0
267.17572	3.6
269.15408	1.9
270.16077	0.8
271.16864	11.3
273.15039	0.7
277.15762	1.6
285.18286	0.8
295.16910	28.5
296.17230	1.1
313.17923	22.1
314.18185	0.9
465.06436	0.7
484.23297	1.1
536.26288	4.4
554.27209	0.8
582.05621	0.7
634.30115	4.5
652.31061	19.9
652.42072	1.1
653.31567	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	652.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64385	0.4
59.04997	1.0
63.88186	0.4
70.55800	0.7
71.04971	0.3
73.02911	0.8
73.06557	2.6
87.04028	0.2
87.04462	13.2
89.06027	100.0
90.06336	0.9
91.07615	0.6
106.89627	0.4
107.07066	2.0
108.39477	0.4
113.06093	0.5
115.07621	0.4
117.09137	1.4
130.08643	0.4
131.07019	4.9
133.08598	58.6
134.08934	0.7
135.10191	0.8
145.86316	0.4
175.09679	2.9
177.11209	19.9
178.11554	0.4
219.12271	0.7
221.13812	3.8
239.14868	0.7
239.71330	0.5
265.16473	1.3
283.17487	1.2
287.05551	3.0
309.19009	0.8
327.20145	0.5
353.21658	0.9
371.22717	0.5
397.24274	0.6
547.33569	0.5
591.35785	0.5
635.38562	2.4
652.40851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15878	0.3
52.45972	0.3
55.05508	0.5
57.03439	0.7
59.04996	4.6
67.05498	1.6
68.63470	0.3
69.03428	4.6
71.04990	1.6
73.02916	7.2
73.06554	4.8
78.25244	0.4
79.15672	0.4
83.04965	0.6
85.02890	0.6
85.06536	0.5
86.06078	0.4
86.09695	0.3
87.04464	100.0
88.04797	4.9
89.04895	1.3
89.06026	43.0
90.06364	1.7
93.07040	0.4
95.04966	4.4
97.02884	0.5
97.06519	0.9
97.67924	0.3
99.04462	0.9
101.05984	0.9
103.07600	0.6
107.07083	0.9
113.06000	23.0
115.07574	0.5
117.09122	3.9
117.29089	0.3
119.03178	0.3
127.03913	0.4
130.08626	0.6
131.07039	10.2
132.07437	0.5
133.08597	21.4
134.08989	0.7
139.07533	1.4
140.95416	0.3
145.08592	0.3
151.03856	0.4
151.09697	0.5
157.08615	4.2
161.11717	0.9
175.09624	4.1
177.11218	6.9
178.11554	0.4
181.14020	0.3
192.16161	0.3
193.10710	0.3
201.11197	3.1
211.71776	0.4
219.12263	2.2
221.13866	0.9
245.13817	1.3
246.21002	0.4
265.16605	0.5
283.17493	0.5
287.05524	0.4
331.15015	0.4
465.26797	0.4
566.08313	0.9
571.33136	1.3
608.08820	1.4
652.07904	2.6
652.40649	1.5
665.20410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1715
Annotation	Scutellarein 7,4'-dimethyl ether 6-sophoroside
Peak:m/z	Relative Intensity
55.01844	0.2
57.03405	0.3
57.66509	0.1
61.02890	0.2
68.99797	0.1
69.03431	0.5
71.01007	0.1
71.01340	0.5
73.02921	0.8
75.04467	0.1
78.18811	0.1
81.03418	0.4
83.01340	0.1
85.02902	2.6
91.05477	0.3
95.01315	0.1
97.02894	0.4
99.00765	0.1
100.07574	0.1
101.02363	0.3
103.03896	0.2
107.04933	0.1
108.02044	0.2
109.02852	0.2
113.02375	0.5
118.04148	1.4
119.04897	0.3
121.02868	0.5
124.01588	0.1
124.04001	0.1
127.03885	0.2
131.03360	0.2
136.01566	0.7
137.05978	0.1
139.00240	0.1
141.01781	0.2
145.04903	0.1
147.04381	0.1
151.00247	0.2
151.03931	0.1
152.01050	0.7
153.01797	0.5
154.02577	0.5
159.02853	0.2
164.01006	0.1
165.01839	0.2
166.99692	0.1
169.06522	0.1
170.02075	0.2
179.03365	0.1
180.00439	0.1
181.01303	0.3
181.06534	0.1
182.02109	1.0
197.04451	2.0
198.01567	0.6
200.03188	0.1
225.05487	0.2
226.06192	0.3
233.08018	0.1
236.04735	0.2
241.04848	0.1
242.05823	0.1
253.04980	1.1
254.05725	3.8
255.06261	0.3
257.04474	0.2
269.04440	0.8
270.05231	0.6
271.06003	9.5
272.06473	0.4
281.04465	0.9
282.05222	5.1
283.05966	2.2
284.06683	0.3
285.03897	0.5
286.04694	0.5
287.05484	0.2
293.04404	0.3
299.05496	8.3
300.06274	14.1
301.06555	0.7
309.03952	0.2
310.04709	0.1
311.05432	0.1
315.08606	100.0
316.08960	4.4
316.11871	0.1
325.07098	0.7
327.08734	0.1
339.08762	0.2
357.09766	0.1
381.09546	0.1
473.10782	0.1
491.11838	14.8
492.12195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1711
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
65.03930	0.1
68.99773	0.2
69.03408	0.2
69.62714	0.4
69.63049	0.1
81.03424	0.2
97.13197	0.1
98.22634	0.1
101.14690	0.1
115.09983	0.1
121.02832	0.3
133.02824	0.3
137.02342	1.7
137.03355	0.2
139.05299	0.1
143.04907	0.2
147.04384	0.2
149.02310	0.3
149.05975	0.2
150.02995	0.1
157.06450	0.2
161.05919	0.3
171.04466	0.2
175.03896	0.3
175.14845	0.1
177.05495	0.2
185.05972	0.6
189.05412	0.2
195.04259	0.1
201.05481	0.2
203.06950	0.2
213.05418	1.6
216.04211	0.1
231.06531	0.8
241.04906	0.6
242.05542	0.2
257.04709	0.1
259.05966	0.2
269.04361	0.3
287.05469	100.0
288.05801	3.5
325.10687	0.2
449.04758	0.2
449.10791	3.0
450.10809	0.1
491.11801	13.0
492.12213	0.7
653.17041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1711
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
68.99797	0.1
69.13029	0.1
70.70846	0.2
81.03397	0.1
85.70068	0.1
103.04633	0.1
103.98350	0.1
105.35171	0.1
111.00831	0.1
121.02860	0.2
129.06985	0.1
137.02347	1.1
147.04398	0.3
149.02393	0.2
155.07642	0.1
157.06453	0.2
161.05974	0.4
165.01772	0.3
171.04443	0.1
181.04921	0.2
185.05943	0.4
189.05437	0.2
193.05113	0.1
213.05450	1.2
216.28664	0.1
231.06483	0.3
241.04958	0.6
242.05676	0.2
269.04324	0.2
287.05478	100.0
288.05811	3.3
301.07050	0.3
329.06488	0.3
369.30341	0.1
449.10745	2.7
491.11807	13.1
492.12198	0.7
579.54022	0.1
653.16791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59641	0.5
60.05643	3.1
60.32883	0.7
68.05032	7.5
68.99789	10.3
69.05805	3.2
69.17654	1.2
69.18056	2.8
69.91671	0.5
70.06593	59.3
71.04990	0.7
72.05656	0.7
72.88354	0.6
80.05013	2.8
81.12801	0.7
82.26994	0.5
86.03574	0.5
91.05496	1.6
94.02915	1.1
95.06110	1.9
96.04491	8.2
99.07954	0.7
100.64777	0.7
103.05453	1.2
103.25620	0.6
105.03388	0.9
105.07020	4.8
108.04482	2.4
110.07178	1.0
111.07933	0.8
112.08731	41.7
119.04996	1.1
120.04453	1.2
122.06062	2.4
123.04403	1.5
130.09775	4.2
130.14468	0.7
131.04924	7.4
139.00291	2.3
147.04457	1.4
148.03911	1.1
150.05499	2.8
151.03937	1.1
152.49260	0.7
156.44609	0.6
162.05524	3.1
163.03999	0.8
164.07022	0.8
165.05461	3.7
166.01495	0.9
166.99783	5.7
168.06575	1.2
169.01366	1.5
174.05513	1.3
175.03856	4.5
176.03406	6.9
177.01938	0.9
183.04471	0.6
185.00822	24.6
187.07632	0.6
189.01808	1.0
190.04968	7.8
191.03459	3.1
191.05768	1.8
192.06511	1.0
193.04919	1.3
194.04477	2.6
206.04420	0.7
207.02901	2.4
208.06053	1.5
209.04474	1.6
210.08789	3.2
218.04488	67.7
219.02898	4.8
219.04810	1.3
232.07280	1.1
236.05307	1.7
236.06873	1.2
243.04115	1.5
243.06599	1.3
260.06635	2.7
271.05981	16.8
272.06110	0.7
278.07721	23.4
279.10297	1.6
280.09766	1.1
293.08145	4.6
294.11649	0.8
296.08963	1.7
322.10730	22.1
323.11417	2.3
340.11838	7.2
347.10461	1.0
364.12906	4.9
381.15649	1.4
382.13965	100.0
383.14270	3.3
452.90271	0.7
530.71429	0.7
531.14832	1.3
617.20245	1.0
635.21521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27530	0.7
60.05632	2.5
68.05025	17.3
68.99788	15.7
69.05792	2.6
70.05397	2.4
70.06589	100.0
71.06897	1.3
72.05618	1.0
80.05009	3.9
94.02905	1.0
95.06094	2.1
96.04483	5.2
97.33000	1.0
101.01763	0.8
103.05464	1.3
105.03372	0.8
105.07012	7.7
108.04464	3.5
110.07181	1.2
112.08723	44.6
122.06004	1.5
126.09676	0.9
130.09775	3.0
131.04938	5.5
131.36246	1.0
134.05984	1.8
139.00211	2.1
148.03928	1.2
150.05450	1.8
162.05531	2.1
165.05583	0.9
166.99730	10.6
169.01332	1.1
176.03419	5.8
179.03427	1.0
185.00800	38.9
190.04945	9.4
191.03377	2.2
191.05722	1.7
194.04514	1.7
207.02797	1.6
208.05972	1.4
218.04472	83.2
219.02780	1.6
236.05399	1.6
236.06798	1.1
243.06422	1.8
260.06689	3.0
271.05988	35.3
272.06339	1.8
273.07544	1.4
278.07712	14.0
280.09708	1.6
293.08014	7.6
322.10730	44.8
323.11285	3.1
340.11749	27.8
347.10138	1.3
364.12894	4.0
381.15634	1.5
382.13934	97.0
383.14093	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2442
Annotation	Isomartynoside
Peak:m/z	Relative Intensity
56.20285	0.4
57.03440	1.7
58.73064	0.4
69.03427	2.5
70.06582	0.5
71.01357	0.4
71.04994	9.7
71.40752	0.4
75.04499	0.6
81.03416	0.8
83.04984	0.9
85.02406	0.6
85.02905	10.2
89.03908	4.3
91.05493	0.5
97.02888	3.4
99.04412	0.5
103.05468	0.4
105.24139	0.4
106.04143	0.3
111.04470	0.7
117.03380	13.6
127.03914	0.7
129.05484	3.1
134.03685	0.8
135.04425	1.0
137.05965	1.5
145.02844	43.8
146.03191	0.7
147.06587	0.9
149.05991	5.4
151.03935	3.3
151.07510	1.0
163.03918	0.8
163.07550	0.8
165.09120	0.5
175.07555	0.7
177.05467	100.0
178.05791	2.0
179.07069	0.7
181.04938	0.6
181.08673	0.7
186.05511	0.6
189.09154	0.5
193.08603	0.5
195.06604	1.7
259.09546	0.5
277.10678	0.6
287.05499	1.3
287.08749	0.4
295.11691	0.4
305.10281	0.9
315.08459	0.6
321.09576	0.7
323.11206	1.9
339.10745	11.8
340.10849	0.5
485.16571	0.4
611.12524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94457	0.5
60.05616	0.8
69.03413	2.0
70.06574	1.3
71.04970	2.1
81.03412	2.9
82.79030	0.6
85.02890	4.4
89.03899	4.8
91.05463	2.1
97.02854	0.9
98.21247	0.6
98.23442	2.2
99.04423	0.8
103.05447	0.7
109.02851	0.9
109.98763	0.6
111.04427	0.6
117.03367	16.8
127.03861	1.2
131.04907	1.7
134.03592	1.3
135.04449	1.3
137.06010	3.5
141.66695	0.6
145.02837	43.1
146.03137	0.7
149.05971	6.3
151.03905	0.9
151.07561	3.2
161.05945	0.9
163.07516	0.7
175.07510	1.5
177.05447	100.0
178.05841	2.3
179.07036	2.8
189.09187	0.7
191.07019	0.6
193.04988	0.7
193.08566	1.3
195.06520	1.7
199.07465	0.6
203.06996	1.0
205.04956	0.6
207.06439	1.0
217.08601	1.7
227.06940	0.7
231.10207	1.1
235.09494	0.8
241.08719	0.8
259.09564	2.8
261.11005	1.0
267.25543	0.6
277.10645	1.2
287.09094	2.0
301.07117	0.8
305.10101	1.3
321.09656	2.1
323.11118	1.5
339.10696	4.5
384.15167	0.6
431.64941	0.7
538.95245	0.6
580.30164	0.6
632.22284	0.6
653.22546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
53.14227	1.0
55.01849	1.3
55.05490	1.6
58.99573	4.0
63.64566	0.9
67.05494	3.6
69.03418	9.5
69.07059	2.0
70.02927	1.0
70.06575	3.1
78.03439	2.8
79.05499	4.9
80.05011	5.9
81.03410	30.0
81.07046	6.5
83.04971	1.9
83.08608	0.9
85.02886	3.4
85.53753	1.0
86.00644	19.0
87.04465	1.3
88.02196	9.2
88.03515	1.4
88.03986	12.8
91.05462	5.9
91.34157	1.0
93.07042	7.7
94.06512	1.0
95.04961	1.8
95.08604	5.6
96.04488	4.1
97.01104	1.3
97.02870	2.9
99.04432	3.6
100.02192	1.1
105.07023	8.4
106.02905	5.4
106.06567	2.2
107.08578	6.3
109.02856	3.6
109.10156	2.5
110.06088	1.1
111.02690	1.2
111.04444	2.2
114.03696	1.1
115.05459	1.7
116.01630	1.6
117.07001	5.2
119.08578	9.1
120.08081	1.4
121.02827	1.6
121.06481	0.9
121.10113	3.4
124.03944	100.0
125.04218	1.3
125.05976	1.5
127.03883	2.6
128.06219	1.5
129.06981	2.4
130.07768	1.4
131.08575	9.8
132.01138	38.8
133.06543	1.7
133.10103	6.0
134.02698	4.0
135.11650	1.2
137.02417	1.1
137.04190	1.4
137.05986	2.1
141.07005	1.6
142.07787	2.2
143.08525	7.2
144.09280	1.7
145.10110	21.8
146.09679	1.5
146.10818	1.2
147.04399	2.6
147.10490	1.7
147.11693	4.2
151.03905	1.5
155.06531	1.0
155.08525	4.7
156.09341	2.6
157.06429	1.0
157.10107	10.1
158.02684	1.3
158.10802	1.3
159.08057	1.1
159.11690	14.4
161.09558	1.5
161.13245	2.0
163.05882	1.5
163.07349	1.0
165.06941	1.2
167.07106	0.9
167.08502	2.6
168.09254	1.4
169.10109	7.0
170.10907	3.6
171.11713	6.1
172.12485	2.4
173.13219	3.8
175.11203	1.3
175.14838	3.1
178.07721	1.1
179.08556	3.3
181.10077	5.7
182.10876	2.1
183.11711	7.2
184.04213	1.5
185.09607	1.4
185.13254	16.6
187.14803	42.6
189.07285	1.5
192.09288	2.7
193.10155	5.8
194.10913	1.8
195.11694	4.4
196.12427	3.8
197.13216	5.6
199.14755	3.2
203.08769	1.9
203.16646	2.1
204.09474	1.2
205.10115	1.7
206.10799	1.1
207.06499	1.4
207.11639	3.9
209.13220	5.4
210.14116	1.1
211.14745	9.3
213.05522	1.5
213.12654	1.4
213.16382	1.2
214.15919	1.7
215.08812	1.4
215.14116	1.2
217.10378	2.4
219.11900	4.9
220.12515	1.5
221.13278	5.4
223.14854	2.1
225.16289	1.6
231.11818	1.8
232.12755	1.1
233.13176	1.2
234.14105	1.9
235.14825	4.6
236.15659	1.5
237.16328	4.1
237.49414	1.2
245.13495	1.2
249.16266	2.9
253.15826	1.7
255.17361	3.6
267.17361	1.9
277.15793	4.0
286.04813	2.4
287.05472	92.9
288.05820	4.0
295.16815	11.9
301.06961	3.2
303.19510	1.5
306.15106	5.4
308.16718	11.7
313.17960	14.4
318.15228	1.9
345.15137	1.6
347.20840	1.4
368.21930	1.5
370.18207	2.4
372.19861	1.3
376.19421	5.6
398.17902	3.9
416.18817	21.8
431.19791	3.0
434.19876	29.7
435.20578	1.1
449.10623	2.6
452.20959	13.0
477.21555	1.3
491.11978	11.7
495.22934	4.1
497.26172	4.3
499.22516	2.8
506.22037	2.0
513.23956	2.8
517.23462	3.2
539.21997	5.6
557.23010	13.6
575.24353	6.3
593.25433	2.3
599.24194	2.0
617.25378	7.5
618.23981	2.7
635.26282	12.4
636.18726	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	653.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
53.14227	1.0
55.01849	1.3
55.05490	1.6
58.99573	4.0
63.64566	0.9
67.05494	3.6
69.03418	9.5
69.07059	2.0
70.02927	1.0
70.06575	3.1
78.03439	2.8
79.05499	4.9
80.05011	5.9
81.03410	30.0
81.07046	6.5
83.04971	1.9
83.08608	0.9
85.02886	3.4
85.53753	1.0
86.00644	19.0
87.04465	1.3
88.02196	9.2
88.03515	1.4
88.03986	12.8
91.05462	5.9
91.34157	1.0
93.07042	7.7
94.06512	1.0
95.04961	1.8
95.08604	5.6
96.04488	4.1
97.01104	1.3
97.02870	2.9
99.04432	3.6
100.02192	1.1
105.07023	8.4
106.02905	5.4
106.06567	2.2
107.08578	6.3
109.02856	3.6
109.10156	2.5
110.06088	1.1
111.02690	1.2
111.04444	2.2
114.03696	1.1
115.05459	1.7
116.01630	1.6
117.07001	5.2
119.08578	9.1
120.08081	1.4
121.02827	1.6
121.06481	0.9
121.10113	3.4
124.03944	100.0
125.04218	1.3
125.05976	1.5
127.03883	2.6
128.06219	1.5
129.06981	2.4
130.07768	1.4
131.08575	9.8
132.01138	38.8
133.06543	1.7
133.10103	6.0
134.02698	4.0
135.11650	1.2
137.02417	1.1
137.04190	1.4
137.05986	2.1
141.07005	1.6
142.07787	2.2
143.08525	7.2
144.09280	1.7
145.10110	21.8
146.09679	1.5
146.10818	1.2
147.04399	2.6
147.10490	1.7
147.11693	4.2
151.03905	1.5
155.06531	1.0
155.08525	4.7
156.09341	2.6
157.06429	1.0
157.10107	10.1
158.02684	1.3
158.10802	1.3
159.08057	1.1
159.11690	14.4
161.09558	1.5
161.13245	2.0
163.05882	1.5
163.07349	1.0
165.06941	1.2
167.07106	0.9
167.08502	2.6
168.09254	1.4
169.10109	7.0
170.10907	3.6
171.11713	6.1
172.12485	2.4
173.13219	3.8
175.11203	1.3
175.14838	3.1
178.07721	1.1
179.08556	3.3
181.10077	5.7
182.10876	2.1
183.11711	7.2
184.04213	1.5
185.09607	1.4
185.13254	16.6
187.14803	42.6
189.07285	1.5
192.09288	2.7
193.10155	5.8
194.10913	1.8
195.11694	4.4
196.12427	3.8
197.13216	5.6
199.14755	3.2
203.08769	1.9
203.16646	2.1
204.09474	1.2
205.10115	1.7
206.10799	1.1
207.06499	1.4
207.11639	3.9
209.13220	5.4
210.14116	1.1
211.14745	9.3
213.05522	1.5
213.12654	1.4
213.16382	1.2
214.15919	1.7
215.08812	1.4
215.14116	1.2
217.10378	2.4
219.11900	4.9
220.12515	1.5
221.13278	5.4
223.14854	2.1
225.16289	1.6
231.11818	1.8
232.12755	1.1
233.13176	1.2
234.14105	1.9
235.14825	4.6
236.15659	1.5
237.16328	4.1
237.49414	1.2
245.13495	1.2
249.16266	2.9
253.15826	1.7
255.17361	3.6
267.17361	1.9
277.15793	4.0
286.04813	2.4
287.05472	92.9
288.05820	4.0
295.16815	11.9
301.06961	3.2
303.19510	1.5
306.15106	5.4
308.16718	11.7
313.17960	14.4
318.15228	1.9
345.15137	1.6
347.20840	1.4
368.21930	1.5
370.18207	2.4
372.19861	1.3
376.19421	5.6
398.17902	3.9
416.18817	21.8
431.19791	3.0
434.19876	29.7
435.20578	1.1
449.10623	2.6
452.20959	13.0
477.21555	1.3
491.11978	11.7
495.22934	4.1
497.26172	4.3
499.22516	2.8
506.22037	2.0
513.23956	2.8
517.23462	3.2
539.21997	5.6
557.23010	13.6
575.24353	6.3
593.25433	2.3
599.24194	2.0
617.25378	7.5
618.23981	2.7
635.26282	12.4
636.18726	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	654.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
56.05033	2.0
57.03437	0.9
59.04863	2.3
60.05645	34.4
61.14116	0.8
65.03922	1.5
67.05500	3.2
68.05012	1.1
68.99772	4.1
69.03416	1.4
69.07066	1.2
70.06586	97.9
72.05630	15.9
72.42957	0.8
73.06403	4.6
74.50253	0.8
79.05484	5.3
80.83651	0.8
82.05318	2.4
83.01319	1.2
83.06089	1.8
84.05621	2.5
85.06412	2.7
86.07185	4.8
87.07969	5.4
89.77499	0.8
91.05470	5.3
93.03403	2.7
94.06579	2.2
95.04971	4.2
95.06084	2.9
96.08128	1.5
96.69240	0.8
97.06504	1.7
98.07184	5.6
99.07973	2.9
103.05463	11.4
105.03394	3.6
105.04519	1.2
105.07041	2.5
107.04964	4.6
110.06033	1.5
110.07180	1.9
111.04507	0.8
111.07949	1.3
112.08716	14.3
112.09437	1.1
113.07120	0.9
113.09502	1.4
115.05447	1.0
118.04177	1.1
119.01302	0.7
119.04926	3.0
121.02883	3.1
121.06478	1.3
122.06049	2.3
123.00802	1.2
123.04433	1.8
124.08774	1.0
125.05972	1.7
131.04913	25.0
131.05888	1.4
133.02884	2.0
134.06030	0.9
135.04453	2.3
136.01550	1.8
136.07729	0.9
136.08627	3.9
137.06152	0.9
137.07062	4.9
138.10226	0.9
140.07076	1.1
146.03526	0.8
147.04401	4.1
147.05452	1.7
148.08781	0.9
149.02367	1.0
149.06003	1.0
149.07137	1.0
150.05600	1.9
151.00249	3.7
151.03889	1.2
153.01848	3.4
154.02620	2.3
154.09723	1.1
160.08618	0.9
162.05492	0.9
163.03876	6.3
163.04999	6.4
164.04578	1.3
164.07033	1.6
164.08244	2.1
165.05458	1.5
165.06651	1.9
167.10591	1.3
168.00597	1.6
169.01320	16.3
169.02693	1.0
173.02383	1.5
173.07190	1.3
175.03903	6.9
177.05486	2.6
178.06139	2.6
180.07732	2.5
181.01389	1.2
183.02896	1.1
185.00839	1.1
185.05960	0.8
187.05112	1.1
188.03555	0.8
188.08255	0.9
190.04976	2.4
191.03358	10.8
191.05772	2.0
191.08430	0.9
192.04149	11.2
192.06303	6.0
193.04935	15.1
193.06525	0.9
194.05345	1.0
194.99214	3.9
199.02325	1.2
199.03917	1.8
200.03123	1.0
205.01239	5.7
206.09239	1.0
207.02881	5.5
208.06013	5.1
209.04510	1.8
209.06689	1.3
210.07600	6.4
211.05968	4.3
213.00244	10.1
215.04608	1.8
216.07741	1.3
217.01428	0.8
217.06361	4.9
218.04503	1.9
219.02878	3.8
220.03622	7.5
221.04401	6.0
223.02353	6.9
223.09488	1.5
232.07268	2.2
233.05635	4.3
234.08717	17.8
235.05046	1.1
235.07074	4.3
236.05585	2.1
236.10413	3.4
237.03981	3.7
237.06310	1.1
238.04654	7.7
241.06137	1.4
245.04526	1.5
246.98810	2.0
248.10448	2.3
249.00243	1.4
250.08234	20.1
250.10768	1.5
251.08929	6.6
252.09767	45.2
254.05666	1.8
255.02846	1.4
255.06161	1.9
257.04449	0.9
260.06616	9.2
262.05804	0.9
262.08313	1.9
264.99893	1.1
266.07803	3.5
267.02948	0.9
267.06781	1.0
268.09445	1.3
270.10852	10.0
271.02722	1.0
271.06009	2.2
272.06192	1.0
275.11841	0.8
278.07675	18.2
278.11090	0.9
279.08420	27.5
280.09210	1.5
281.08099	2.7
282.98572	0.9
283.02020	0.8
285.03995	2.4
286.04596	4.2
287.04929	3.8
291.13406	0.9
295.02731	1.8
297.11066	1.2
299.05487	8.8
300.06125	15.5
301.00156	0.9
301.03391	1.1
301.06805	21.8
301.10260	1.2
302.07358	11.8
303.11337	1.1
309.04681	0.9
309.07703	7.3
310.98346	1.6
313.04050	0.9
315.02100	0.9
315.05612	1.0
316.99353	1.2
320.14160	1.1
323.01675	4.4
324.09625	4.2
325.03442	2.1
328.99335	0.9
338.14941	12.9
339.01599	1.1
339.05835	1.1
340.04669	1.4
340.11954	1.5
341.02829	5.3
347.02960	1.2
349.04453	1.4
351.01242	10.9
351.04803	1.0
354.14450	3.3
355.15103	2.1
356.16031	29.3
357.16321	1.8
364.12939	3.2
365.03842	4.1
366.02487	1.4
366.14383	4.7
368.04178	2.6
369.02420	5.3
375.02524	6.3
376.00989	1.1
382.06912	3.7
382.13898	37.2
383.04901	1.5
383.14691	45.4
384.15460	32.6
385.15994	1.5
387.03488	1.7
392.04938	1.1
393.03159	3.8
394.02115	1.3
400.07898	1.3
410.06134	7.0
428.07101	1.2
470.08881	1.1
473.08798	1.3
480.07071	1.5
486.12833	1.4
497.09988	1.4
504.13986	4.0
514.12366	15.9
515.11316	1.0
532.13470	15.5
550.14630	9.1
568.15356	1.2
610.21594	1.1
618.18390	6.9
619.17468	2.9
636.19678	45.5
637.20502	4.3
654.20746	100.0
655.21082	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	654.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01875	8.8
57.03440	5.8
57.83651	1.5
61.02923	4.0
68.99786	3.7
69.03432	21.1
69.29843	6.0
69.30244	2.4
70.06576	2.0
71.04994	5.5
73.02908	4.8
79.05502	4.5
81.03416	33.4
85.02906	61.8
87.00831	26.6
89.06007	2.6
91.03984	2.1
91.05464	2.9
95.05003	3.8
97.02283	1.6
97.02895	32.3
98.23412	4.2
99.04448	13.1
103.05463	2.2
104.52583	1.7
105.01868	19.7
105.07010	2.4
107.04958	9.2
109.02879	24.8
112.68224	1.6
115.05464	7.6
117.01836	3.4
117.07013	15.5
118.78963	1.6
121.02875	2.9
122.03629	4.7
123.04420	3.4
125.05916	1.7
126.05496	3.1
127.03910	39.3
128.06197	2.2
129.01880	2.5
129.06995	6.6
131.04912	3.4
131.08539	3.8
133.06514	1.9
137.05972	90.4
143.04913	7.3
144.05688	4.4
145.04965	23.5
145.06488	25.9
146.03487	2.3
149.05966	2.2
151.03893	1.9
152.04646	1.7
153.05414	2.9
155.06035	5.2
156.05681	6.6
157.06512	7.1
159.02869	16.5
159.08104	7.9
160.05211	14.3
161.06010	7.7
163.07579	2.9
167.07036	44.9
172.05142	3.9
173.05988	48.5
174.06642	3.1
175.07541	100.0
176.07936	2.5
177.05498	4.8
183.06569	2.4
187.07538	49.6
189.09058	10.0
190.06247	18.9
191.06932	3.9
193.08571	2.9
202.06207	3.3
203.07016	7.5
205.08595	90.0
206.08966	2.6
207.10184	2.1
215.08568	2.8
217.08592	47.4
218.08995	2.3
219.10207	4.7
223.09653	1.7
226.06219	2.8
231.05009	7.8
233.09616	5.0
235.09644	46.8
236.10144	1.9
239.07123	2.3
241.08575	6.2
247.09679	10.1
248.08125	1.7
249.09035	4.4
261.09109	6.2
263.06937	3.4
265.10721	41.9
266.09476	2.3
269.08185	1.7
275.10626	2.2
277.08575	4.6
278.09399	4.1
281.11597	1.9
285.07535	10.0
287.05536	5.8
288.05850	4.4
293.11627	7.1
300.09888	18.3
301.10687	8.7
306.08945	2.5
309.11215	7.2
313.10797	3.3
317.21024	2.2
321.11249	8.4
322.11874	2.6
323.09424	2.2
326.11380	2.6
338.11609	1.8
339.12262	3.3
341.13821	10.4
353.13843	22.7
355.15344	2.8
371.14874	53.8
372.15271	2.9
405.06143	2.3
479.17419	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.8
53.03953	1.0
55.01874	1.6
57.03432	1.1
60.04507	0.5
61.02921	0.8
69.03427	5.8
71.04992	0.7
71.44850	0.7
73.02916	0.9
78.04699	1.5
79.05495	3.4
81.03411	5.7
85.02901	11.8
87.00822	4.4
89.06036	0.7
91.05465	3.9
95.04953	1.0
97.02890	4.3
99.04444	2.1
100.07636	1.3
103.05445	1.5
105.01844	3.0
105.04533	0.6
105.07027	4.1
106.04177	1.6
107.04955	7.1
108.04469	1.0
109.02886	4.9
109.06539	0.7
115.03984	0.6
115.05434	2.5
117.07024	1.6
118.04182	0.8
119.04922	2.8
119.08599	2.0
121.06499	1.6
123.04453	4.1
124.05199	2.3
126.05556	0.7
127.03922	6.6
128.06189	1.6
129.01826	0.7
129.07024	5.9
131.04919	2.9
132.05685	1.3
133.06485	3.8
135.04396	1.0
136.05211	1.5
137.05956	1.3
140.04707	0.5
141.07042	0.8
144.05698	0.8
145.04991	2.8
145.06459	1.8
147.02841	0.7
147.04401	0.6
147.08005	2.0
151.03900	1.6
151.07538	2.3
152.04634	1.8
153.05463	1.8
155.04886	0.9
155.07033	1.1
156.05641	0.7
157.06453	0.8
159.02904	2.4
159.04141	0.6
159.08015	4.1
160.05190	1.1
161.05992	8.6
167.07036	100.0
168.07385	2.4
171.08076	0.8
172.05182	1.7
173.05948	1.4
175.07549	20.9
176.07816	0.6
177.05489	1.4
178.07678	0.8
179.07036	6.7
179.08498	1.0
181.04958	0.7
181.06506	0.7
181.08586	0.6
187.07536	16.0
189.06967	0.6
189.09200	1.3
191.07024	8.1
191.08594	0.6
193.08614	3.5
193.10114	0.8
199.07510	6.1
201.08893	0.6
202.07756	0.6
203.08582	1.5
205.08649	1.3
206.07275	1.5
209.08058	1.8
209.09814	0.5
215.08701	0.8
217.08563	1.6
218.07266	1.5
219.08041	0.9
221.09712	3.1
223.07498	1.0
223.09564	0.8
229.08714	1.0
231.04987	1.2
231.08017	2.0
233.09628	2.3
234.06737	1.7
235.07541	1.6
237.09074	0.7
245.47552	0.6
246.06757	0.8
247.07436	0.6
248.08009	2.0
249.09138	4.7
251.07045	1.1
260.08237	1.0
261.09048	2.8
263.06949	1.1
266.09222	0.9
274.06216	0.7
277.08533	2.8
278.09253	1.1
279.06461	0.6
281.11728	8.8
289.08557	2.4
291.06711	0.7
293.08151	0.7
293.11847	1.0
294.08783	1.6
295.09543	1.3
306.08826	0.8
307.09665	1.0
309.11157	7.1
310.11890	1.5
311.09198	1.3
321.11182	4.2
322.11646	0.8
326.11417	2.2
331.08057	0.7
332.08331	1.3
339.12094	0.7
340.08731	0.6
341.13834	34.3
342.14185	1.6
351.12408	0.8
353.13791	13.3
359.14954	4.2
363.12097	1.1
365.13815	1.3
371.14798	5.9
383.14798	1.3
389.15833	0.9
391.11847	0.6
431.14828	0.7
449.15717	0.7
508.11661	0.8
583.87274	0.6
654.31818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.7
55.01857	6.7
55.54464	1.9
55.77856	1.7
57.03428	5.3
57.49682	1.7
61.02913	3.2
65.28068	1.9
67.05489	3.1
69.03421	24.6
69.07448	10.1
69.07851	4.5
70.06587	2.4
71.04975	6.3
72.08166	2.9
73.02911	6.8
79.05476	5.6
81.03406	29.8
83.04953	2.9
85.02901	51.1
87.00822	19.9
91.03981	2.7
91.05469	6.8
95.04961	5.1
97.02900	28.0
99.04460	10.5
100.07603	10.6
103.05473	2.3
105.01852	13.0
105.07008	4.2
107.04946	13.7
107.08572	2.7
109.02872	21.3
109.06485	2.7
110.09676	9.0
115.05454	10.2
117.03348	4.7
117.07018	14.7
119.04974	2.5
119.08486	2.1
122.03614	4.5
123.04424	3.1
124.05200	3.0
125.09467	2.0
127.03908	37.9
128.06184	4.0
129.01830	2.9
129.07007	8.3
131.04915	7.7
131.08595	2.3
133.06474	4.3
137.05965	80.7
139.03893	2.0
141.07022	2.2
143.04918	10.8
144.05681	3.0
145.02844	13.6
145.04958	14.3
145.06447	22.9
147.04430	2.1
147.08020	3.4
151.03905	11.7
152.04262	2.3
153.05450	4.9
155.06036	5.3
156.05708	3.6
157.06456	8.4
159.02881	12.9
159.08052	4.7
160.05174	12.8
161.05971	7.3
163.03943	3.3
167.07027	47.1
168.00533	6.8
168.07086	1.9
169.00952	2.6
171.06477	2.3
171.15019	2.2
172.05197	5.0
173.05963	42.8
174.06569	3.4
175.07535	100.0
177.05453	44.4
178.05757	3.6
180.17366	2.3
181.04930	15.8
186.01607	3.6
187.07535	39.0
189.09082	7.6
190.06195	16.9
191.06964	4.8
193.08611	10.9
202.06158	2.1
203.06956	6.3
203.08662	2.5
205.06647	4.1
205.08580	80.3
206.08939	2.3
207.06461	4.4
217.08577	31.5
218.09164	2.0
219.10057	4.3
231.04938	6.4
234.06769	3.1
235.07387	4.6
235.09610	45.4
239.07011	2.2
241.08583	5.0
247.09666	6.7
249.08965	3.0
261.09171	5.4
263.06903	2.6
264.33289	1.9
265.10693	31.3
271.05997	4.0
277.08603	4.3
278.09360	3.4
285.07574	8.5
286.04666	20.5
287.05093	24.4
292.07358	2.1
293.11688	4.4
300.06335	2.2
300.09866	10.5
301.07111	45.1
301.10580	6.0
302.07391	57.8
303.07501	5.0
306.08847	2.6
309.11240	3.0
315.08533	5.7
316.08859	4.8
321.11200	8.8
326.11496	2.7
339.10846	4.8
341.13754	11.3
353.13766	22.1
355.15317	4.3
371.14902	35.6
413.84253	2.0
478.10339	4.4
538.26068	2.8
584.04584	2.0
654.35687	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	654.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30247	0.6
55.01867	0.8
55.05508	3.6
57.03423	0.7
57.07065	0.8
63.16637	0.6
65.03941	1.2
67.05499	1.7
69.03422	3.4
69.07076	3.3
69.07420	0.5
70.06577	2.7
71.04980	1.2
71.42567	0.8
72.08152	1.3
73.02900	0.9
74.62285	0.6
79.05486	6.0
81.03431	1.5
81.07059	3.2
83.04962	2.4
83.08598	1.0
84.04470	0.7
85.02914	4.0
85.06546	1.0
85.16904	0.6
86.09702	0.8
87.00829	1.9
87.04430	0.8
91.05468	9.0
93.07034	5.5
95.04948	1.3
95.08598	3.4
97.02885	2.4
97.06532	2.5
103.05479	0.8
105.01862	1.8
105.07030	19.6
107.08587	50.9
108.08904	0.9
109.02860	1.6
109.06510	1.8
109.10155	1.1
111.08086	0.8
115.05450	0.7
117.06982	1.3
119.08573	12.2
121.06528	0.9
121.10128	9.9
121.10973	0.7
123.08058	2.5
127.03893	3.5
129.06940	1.3
129.10210	1.2
131.08562	13.1
133.10121	100.0
134.10387	3.2
135.08057	6.5
135.11687	5.6
136.06184	1.9
136.07533	1.5
137.09607	1.7
143.08565	2.1
144.09309	0.8
145.04944	1.6
145.10112	5.5
147.11681	7.5
149.09604	0.9
149.13266	8.1
150.13571	0.7
153.09073	0.7
158.10860	4.5
163.14824	2.5
173.13254	36.6
174.13655	1.2
175.14815	50.4
176.15118	2.5
177.05466	0.9
181.04883	0.9
191.14296	53.5
192.14639	1.7
201.12775	0.7
209.15399	2.0
252.14658	1.3
287.05478	4.6
288.05743	4.9
296.11264	0.8
343.74182	0.7
415.08170	0.6
618.24457	1.3
636.25500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42631	0.8
53.03937	2.2
55.01863	2.2
55.05513	1.8
57.03426	3.5
57.07071	7.6
67.05510	6.7
68.99780	1.6
69.03432	9.0
69.07047	3.4
69.57349	3.7
71.04983	2.1
73.02913	1.9
75.04471	3.4
79.05489	38.7
81.03416	7.8
81.07046	10.1
83.04972	1.0
83.08622	1.8
85.02407	1.3
85.02903	22.7
87.00823	11.1
88.83654	0.9
91.03938	0.9
91.05476	6.6
91.51249	0.8
93.07039	40.7
95.04956	3.6
95.08626	4.7
96.52418	0.8
97.02888	11.5
97.06523	2.0
99.04441	2.4
105.01855	10.7
105.07031	3.6
107.04937	1.8
107.08586	26.4
108.08939	1.0
109.02885	8.1
109.06523	1.2
117.06989	3.8
119.04924	1.4
119.08563	1.6
119.50264	1.0
121.02850	1.8
121.06521	2.0
121.10122	4.9
125.06042	1.1
127.03919	16.7
131.08571	1.9
133.10144	6.6
135.08076	2.3
135.11688	73.1
136.12067	1.3
139.07562	10.7
141.09018	1.0
145.04915	5.8
145.10089	1.3
147.04451	1.2
147.11711	1.2
147.71606	1.1
149.13254	43.6
151.07506	1.4
153.09088	5.0
157.06427	1.2
159.02907	3.8
159.11703	4.1
175.03911	2.3
175.11252	1.2
177.05510	2.4
177.12744	30.6
189.12686	1.0
195.13844	2.6
197.13045	1.0
198.46320	1.0
203.10603	0.9
206.26326	1.0
207.06503	5.2
207.13995	1.0
209.15355	100.0
210.15562	1.2
217.12177	1.4
227.16412	65.6
228.16721	1.6
229.14330	2.0
231.05037	3.8
245.11578	1.4
249.06120	1.4
249.14990	1.0
275.16348	1.2
276.10165	1.0
277.14594	1.2
285.14859	1.2
317.17587	1.4
395.20398	2.1
421.18933	4.4
439.19501	2.3
654.47992	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.8
55.01889	1.1
55.05510	3.0
57.07073	51.5
59.04994	10.0
69.07065	8.0
71.04993	2.1
71.08627	99.2
71.42548	1.6
73.02917	6.3
73.06544	3.4
74.80713	1.0
77.03934	1.9
78.99503	3.0
79.05474	6.8
80.25247	1.3
81.07065	2.6
83.04980	1.8
83.08624	2.1
83.19153	1.2
85.10178	53.4
87.04462	34.3
89.06023	40.5
90.04699	2.4
91.05478	33.2
93.07030	13.7
95.04951	8.2
95.08593	3.2
103.05466	7.1
103.07565	7.3
104.06270	2.5
105.04481	2.6
105.07024	57.1
106.07363	6.9
107.04952	8.0
107.07894	1.7
107.08572	7.6
109.06485	1.9
109.10174	1.6
113.00021	10.6
117.07037	5.5
118.07838	5.8
118.08575	1.4
119.04931	7.7
119.08569	12.1
121.06494	50.1
121.10123	4.3
122.06850	1.4
123.08082	2.6
124.03945	1.9
125.00021	1.4
126.69321	1.3
127.01556	93.0
127.14854	6.4
131.07028	12.8
131.08568	4.8
132.09309	1.6
132.17192	1.1
133.08598	22.7
133.10103	2.9
135.08057	13.9
135.11696	3.6
136.05173	1.7
139.01547	41.2
140.93764	1.2
145.06464	1.2
145.10138	3.8
147.08038	24.8
147.10143	3.5
147.11615	1.6
149.09587	10.4
149.13326	1.7
150.06783	2.9
153.03108	100.0
154.03458	1.4
159.10339	1.1
159.11717	2.0
163.07570	1.1
163.11174	11.2
165.09085	15.6
167.10674	2.8
173.09584	2.2
175.09648	6.0
175.11075	2.7
176.36618	1.3
177.11232	7.7
177.12683	1.7
178.11629	1.1
178.38513	1.1
183.04169	12.4
186.47295	1.1
191.10663	9.9
193.12277	3.6
195.20804	1.1
197.05721	52.9
197.75491	1.2
200.21848	1.3
209.11678	9.7
211.13286	13.6
215.06744	2.2
227.06781	9.4
235.13300	3.4
237.15005	1.2
241.08337	14.6
247.20567	45.2
248.20865	1.7
255.15865	2.1
259.09479	6.4
271.09436	7.1
273.22156	9.6
279.15912	3.8
285.10907	6.2
289.25256	5.3
291.23151	67.3
292.23602	1.9
297.16876	2.0
299.18552	3.6
303.11877	5.9
315.11960	5.1
315.46671	1.1
317.24594	6.0
329.13535	2.5
335.25784	19.7
347.14645	1.9
511.22891	10.4
598.84131	1.3
637.37048	33.3
638.37323	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	655.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	0.2
71.01334	0.5
73.02888	0.4
75.03514	0.1
79.05479	0.4
85.02906	1.4
91.05537	0.2
92.98439	0.1
95.01314	0.4
95.04958	0.4
98.65559	0.1
107.04950	5.7
107.05677	0.3
113.02337	0.7
114.02927	0.2
117.03439	0.2
118.04134	0.1
121.02819	0.1
123.00787	0.4
131.04826	0.2
135.04410	2.6
136.62003	0.2
137.02336	0.6
141.01790	0.9
143.35976	0.1
151.03864	0.6
159.02849	0.2
163.03897	0.9
169.01315	30.4
170.01645	0.5
181.04929	0.3
191.07060	0.9
191.08501	0.1
244.70932	0.2
257.04407	0.2
261.04144	0.3
285.03934	0.2
303.04962	100.0
304.05316	3.2
331.08002	0.3
359.07617	0.5
472.15182	0.2
479.08182	7.5
480.08481	0.2
552.56470	0.2
655.11353	6.5
656.11554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1871
Annotation	5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone 7-O-(6''-glucosylglucoside)
Peak:m/z	Relative Intensity
50.75254	0.3
57.03420	0.4
61.02919	0.6
68.99748	0.3
69.03421	1.4
70.06581	0.9
72.08154	0.6
79.05489	0.3
81.03413	0.8
85.02905	3.0
87.00848	0.4
97.02886	9.0
100.07632	2.5
103.05444	0.4
107.04978	0.5
109.02859	0.6
110.09675	1.6
121.02848	2.7
124.11250	0.4
127.03925	0.9
129.51215	0.4
131.04922	1.1
135.04488	0.3
137.02295	0.5
145.02885	0.7
151.03902	1.4
151.96883	0.3
154.02715	0.3
167.07069	0.4
171.14862	0.7
175.03879	0.4
177.05452	1.2
178.05814	0.6
178.15927	0.4
180.17500	0.6
180.66750	0.3
181.01274	0.7
181.04984	2.9
186.40544	0.3
197.04442	1.4
217.04994	0.4
217.08632	0.7
258.05295	0.3
270.05219	15.0
271.05969	0.5
285.04099	0.5
286.04788	0.6
287.05450	4.4
298.04709	17.7
299.05374	1.4
300.06085	0.6
301.03271	0.4
301.06345	0.5
302.04074	0.5
315.04922	3.9
315.08582	2.1
316.05710	7.9
316.09082	2.1
317.09259	2.1
331.08090	100.0
332.08411	3.6
400.03531	0.4
423.55902	0.4
456.24896	0.5
493.13324	7.7
493.24289	0.4
538.26447	0.5
543.09204	0.4
553.15308	0.3
588.64044	0.3
597.20441	0.4
618.46405	0.3
654.35822	1.4
655.23730	0.6
655.35645	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	655.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47459	2.2
53.22742	1.8
55.01862	2.4
63.36867	1.9
66.08818	2.2
68.05016	2.5
68.99785	5.8
69.20485	7.5
69.20914	6.2
70.06587	12.9
71.06915	2.2
71.28194	2.0
73.06416	2.3
81.03439	2.5
82.02938	3.5
91.05482	6.4
95.04958	2.3
97.50388	2.0
102.42037	1.8
103.05470	13.4
112.08698	3.5
114.05546	6.0
119.04930	8.6
121.02866	4.6
127.03913	2.6
130.09741	3.1
131.04922	40.0
138.01846	5.2
142.47083	2.2
147.04379	30.4
147.80115	2.0
153.01840	3.7
166.01379	6.3
166.99763	5.0
167.02173	8.1
168.02928	8.3
169.01302	4.4
171.04398	2.8
173.05672	2.1
178.01347	4.9
185.00829	4.2
185.03256	2.4
190.05026	4.0
192.02898	2.6
198.54259	1.9
200.03427	2.3
202.01375	5.1
202.05008	3.7
204.02933	2.5
205.03661	2.3
212.03473	5.7
216.02989	3.2
218.04433	4.8
219.04674	2.5
220.02399	5.1
228.02876	5.9
230.04495	9.2
234.03836	2.7
240.02827	7.5
244.02397	9.2
252.02953	3.8
254.00841	2.3
257.08096	3.9
258.03995	24.3
262.08636	6.5
268.02399	16.1
270.07663	8.1
271.08411	4.6
272.01999	3.4
272.09177	4.3
274.08585	5.0
280.02380	6.3
282.03937	4.4
282.07318	3.3
286.03583	4.9
290.08154	15.7
292.02524	5.3
294.07825	3.6
302.03244	2.2
302.08051	12.9
304.09583	4.5
306.03909	8.4
306.07434	3.0
308.01797	6.1
310.03445	7.9
316.06070	3.3
316.09839	5.3
318.07599	20.4
330.07556	7.2
332.09167	3.6
334.03537	5.6
336.01361	56.1
338.03024	3.4
344.09219	5.5
346.07199	4.3
353.03992	3.9
354.02298	15.9
358.06812	5.8
360.08731	3.2
362.10175	34.3
364.00861	7.8
372.04190	4.1
372.08640	18.3
378.09857	4.1
383.14249	4.6
384.14716	5.6
386.06424	4.5
398.62585	2.4
400.08008	20.2
407.12405	3.5
410.06790	4.3
412.08563	2.6
420.07446	2.8
428.07675	58.9
429.07764	3.9
430.09061	3.5
432.10980	3.7
440.07657	53.1
441.07925	3.9
442.09015	6.3
456.07233	14.1
457.10168	7.5
458.08658	45.8
468.07175	19.4
474.08060	3.0
476.09726	38.8
477.12207	3.8
485.09708	52.1
486.08777	6.4
501.08704	2.7
503.10590	17.2
504.14328	9.3
519.10034	3.2
521.11865	28.2
532.13904	97.6
533.14185	8.2
560.13397	100.0
561.13776	4.0
577.16016	84.5
578.14490	52.8
579.14911	3.6
588.12494	8.3
605.15558	42.6
606.14185	9.6
623.16547	18.8
637.18182	4.2
655.18970	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
51.84319	0.5
53.00299	0.6
56.65269	0.5
68.99783	1.9
70.06573	1.7
70.94028	0.5
77.03918	0.8
79.01868	1.5
83.01339	1.1
84.04479	0.5
91.05473	1.7
94.02926	0.7
94.06815	0.5
95.04963	1.4
96.04436	0.8
101.02377	0.7
103.05460	26.2
104.05802	0.7
105.03389	0.6
105.04522	0.7
106.02870	0.5
107.01308	11.6
110.02401	4.9
111.04435	2.2
112.03960	0.8
112.08709	0.9
115.05434	0.8
117.06993	0.8
118.02905	1.5
120.04389	0.5
121.06488	2.7
122.02412	1.2
129.07019	0.6
131.04919	100.0
132.05280	1.4
135.00758	2.4
139.03900	7.3
140.03407	8.6
143.45264	0.5
145.01355	1.4
150.01776	0.5
152.03452	0.6
153.01793	4.5
154.08710	0.5
160.92265	0.6
164.03404	4.3
165.06938	0.6
166.01428	0.7
166.04982	0.6
167.02153	0.9
167.03419	2.8
168.02902	31.0
169.01329	1.4
169.03238	0.7
173.06020	1.2
176.03490	0.6
178.01328	5.0
185.03207	0.6
185.05980	0.6
186.03957	0.5
188.03387	1.0
189.05481	0.6
189.07042	1.1
190.01297	2.7
192.02948	1.9
193.01266	2.7
195.02872	1.0
199.03865	3.7
202.01384	1.4
202.99765	2.1
204.02901	2.6
205.06418	2.6
206.00833	0.8
206.04532	0.9
208.02438	1.5
211.02379	2.4
212.07039	0.6
213.05446	1.9
214.01329	6.8
215.07167	0.9
216.03020	0.5
218.00864	0.8
218.04477	1.5
220.02289	2.4
221.00793	19.0
224.01836	1.4
230.99214	4.2
231.06532	8.0
232.02377	8.0
233.06117	1.0
234.03955	1.6
235.02328	6.3
238.03468	1.6
239.01930	1.1
241.04903	9.3
248.01898	2.3
249.00294	10.8
250.03419	0.9
251.07190	0.7
253.03424	2.9
253.08842	0.7
254.08156	0.9
256.02451	1.1
259.06082	2.4
260.01941	2.8
261.05377	3.6
262.03485	1.6
262.06119	1.0
263.01859	19.3
264.02408	0.6
271.08466	0.6
272.09155	27.0
273.07486	8.7
278.03006	0.6
278.07779	0.6
279.06387	3.7
280.04236	4.9
281.02744	0.6
282.07581	10.2
284.02017	0.7
289.04913	2.4
290.08194	0.8
294.07739	1.1
300.01248	1.0
302.02954	0.6
306.07556	1.1
307.06003	12.6
308.09085	2.0
310.10706	1.0
318.07495	2.8
321.07608	2.8
322.07291	0.6
323.11255	0.8
324.01321	0.9
324.08643	2.3
328.00821	2.2
334.07123	1.9
335.05463	1.1
336.08640	8.3
338.10226	2.5
339.08920	1.2
346.01871	1.9
349.07016	12.7
350.07120	0.9
352.00897	1.7
352.08014	3.1
356.00146	0.6
364.08069	13.5
366.09692	8.8
367.08063	14.4
368.08200	1.1
370.01981	1.4
372.20496	0.6
381.10986	1.0
382.13937	1.0
383.14404	1.5
384.10648	4.9
404.07501	0.7
432.07007	3.7
433.10278	0.8
446.08710	1.6
448.10941	0.5
450.08057	2.3
455.09003	0.8
455.65042	0.5
456.07059	3.0
460.06656	2.2
465.12808	0.7
474.08032	2.1
478.07410	1.4
483.07715	0.6
484.06635	0.9
488.09769	1.7
490.11267	0.7
501.09204	3.6
502.07657	3.0
506.10791	4.6
515.10547	1.7
516.09241	1.6
533.11731	3.0
534.10260	2.2
546.12415	0.6
551.12708	1.5
560.13348	1.4
578.14642	0.6
587.14392	1.1
588.12708	1.2
592.15875	2.8
605.14838	1.6
606.13867	2.1
607.13763	0.7
609.18457	1.1
610.16998	3.8
619.17242	1.1
620.15576	2.3
623.16498	1.5
637.18506	1.7
638.16534	10.0
655.21356	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.192
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	4.8
69.69700	3.9
69.70056	3.8
70.06580	5.5
79.05504	1.7
91.05478	9.5
101.06057	2.1
103.05468	30.0
104.05823	2.5
105.03362	2.2
105.04475	1.9
105.07006	1.9
111.04483	2.6
112.08766	3.9
115.05467	8.2
118.06574	2.2
121.06473	2.6
129.07068	1.7
131.04922	100.0
132.05257	4.7
138.01860	1.6
142.06487	3.7
145.02795	2.5
154.08597	4.7
155.04903	1.9
158.62065	1.8
159.67030	1.8
165.06978	2.5
167.02109	5.3
168.02895	12.0
170.06047	3.9
177.07010	2.4
178.01367	2.3
178.07716	2.3
185.00797	2.5
185.03235	3.9
189.06987	2.7
190.04996	2.1
192.02908	5.6
193.06487	2.7
199.03906	3.9
201.01852	5.6
205.06502	4.6
210.05553	2.4
212.03546	2.1
212.06989	9.4
213.05505	1.9
214.01486	2.0
215.07069	2.3
218.00864	3.0
218.04424	9.5
219.02863	11.3
219.04787	3.3
220.02423	3.4
224.07021	2.5
229.01367	4.3
230.04568	2.0
232.02374	3.9
233.04121	13.2
233.06253	5.1
234.03925	1.9
235.07632	2.1
237.03902	4.6
238.05208	3.2
240.06552	2.1
241.04964	4.8
245.02611	1.8
247.02284	2.9
248.01967	2.4
251.05443	4.6
254.08011	2.8
256.05960	9.2
258.03961	6.0
259.03833	2.6
260.01901	20.2
261.03381	2.8
261.05463	8.0
262.08691	2.6
264.10104	2.1
268.02356	4.6
270.07703	2.5
271.08353	4.2
272.06635	2.1
272.09125	13.1
277.04898	2.0
278.03265	3.6
278.06613	8.7
279.06607	3.6
280.02795	3.1
280.05991	21.3
282.07629	2.5
288.06366	2.3
289.04852	11.6
292.04550	4.0
296.01981	4.6
296.09076	5.2
298.03433	3.2
306.07660	4.2
307.05939	4.9
312.05072	3.2
316.05795	2.1
318.07635	4.6
321.07623	12.0
322.07104	5.6
324.01328	6.4
324.08493	3.0
326.02722	2.9
334.07053	27.3
336.01746	2.3
342.02545	2.8
348.04370	1.8
352.00949	10.6
352.08008	13.4
360.12296	13.0
362.10104	5.0
363.10522	6.8
366.09711	34.7
370.01825	3.5
379.01620	4.2
380.00198	2.5
383.13947	4.1
384.12201	21.9
397.02859	3.8
413.08475	2.3
416.11124	2.0
426.13568	3.9
428.07565	9.2
438.05807	3.4
444.10770	2.1
446.08545	6.7
454.08893	1.9
456.07083	18.1
458.08530	2.2
459.09204	2.0
472.10336	9.3
473.09686	3.0
477.09869	2.7
483.08206	7.4
484.06522	7.4
488.09760	31.2
496.13956	3.1
500.09729	3.9
501.09103	8.6
506.10654	6.6
510.15451	3.5
515.10840	18.8
516.08844	10.0
517.14148	2.3
518.11298	2.1
519.10236	4.6
532.13940	3.5
533.11945	8.4
542.12115	4.6
560.13312	7.4
563.15302	4.5
570.11383	3.0
574.14960	4.4
577.16547	4.6
578.15436	3.6
587.14050	2.5
588.12860	4.9
592.16052	23.7
593.16492	2.6
595.08881	3.3
602.14307	3.7
605.15472	15.6
606.13916	5.5
609.18329	11.9
619.16681	4.5
620.15289	8.1
623.16809	6.4
638.15796	2.0
655.19989	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.1
52.03167	0.2
53.03942	0.2
55.01868	0.4
57.03433	0.4
61.02926	1.3
65.03941	0.9
67.05505	0.8
69.03429	0.6
70.15597	0.2
71.01337	0.1
71.04999	0.2
73.02903	0.6
76.01169	0.1
77.03906	0.2
80.02642	0.1
81.03425	0.5
82.31494	0.1
85.02902	4.3
85.50073	0.1
86.75899	0.1
91.03957	1.4
93.03402	0.5
95.04971	0.8
97.02891	1.6
98.23347	0.1
99.04459	0.4
103.03963	0.1
105.04510	0.3
107.04919	0.1
108.02092	1.0
109.02880	0.6
110.03645	0.1
111.04449	0.8
121.04035	0.1
123.04391	0.2
125.05952	0.6
127.03905	1.3
136.01582	0.3
141.05464	1.3
145.04948	1.6
151.03903	100.0
151.04930	5.9
152.04230	2.0
152.05348	0.2
163.06021	2.3
169.01297	0.8
169.04970	0.8
189.54146	0.1
193.04907	0.1
205.04739	0.8
253.07066	0.2
287.05536	0.1
289.06198	0.1
295.08105	0.8
303.04971	3.5
304.05179	0.2
313.09152	21.9
314.09497	0.8
331.07962	0.1
381.11456	0.1
421.45496	0.1
475.14636	0.2
479.08176	0.5
493.16736	0.2
558.54352	0.1
653.87726	0.1
655.22015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2298
Annotation	Citbismine-F
Peak:m/z	Relative Intensity
62.33004	1.0
73.02933	2.0
76.66515	1.0
81.07052	1.5
87.04465	2.6
89.06031	3.2
91.05486	1.8
93.07058	1.5
97.10175	1.3
105.07024	16.0
106.07363	1.4
108.01598	1.2
121.06515	1.4
127.01626	1.2
133.08636	1.7
147.08075	1.3
173.20644	1.1
185.32442	1.0
190.73936	1.5
483.03903	1.1
533.19336	19.7
655.22949	100.0
655.37671	9.7
656.23383	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	655.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10675	0.4
67.08433	0.4
69.67893	1.5
71.89230	0.4
107.08508	0.4
107.39184	0.4
117.03242	0.9
124.53219	0.5
145.02835	2.7
145.04782	1.5
146.05638	0.5
149.05827	0.5
152.38663	0.4
156.54962	0.4
162.05171	0.5
163.03952	0.4
163.05873	1.2
169.28778	0.4
172.82637	0.5
177.05434	6.1
188.06871	2.6
190.08247	0.5
207.06319	0.6
213.03816	0.9
227.05525	4.3
234.93141	0.5
288.05719	0.5
293.12482	1.5
297.12283	1.1
299.11914	0.5
301.09320	0.7
303.10968	0.7
311.13626	15.5
312.14017	0.7
315.10919	1.4
316.11737	2.7
317.09186	0.8
317.12503	6.3
318.13232	2.0
319.07022	0.4
319.10544	7.9
320.11075	1.5
333.11954	0.7
339.10855	0.5
343.10464	0.6
359.09882	1.8
360.10788	4.6
361.11545	53.0
362.12140	5.2
367.12497	1.7
393.14154	9.7
438.17792	0.6
439.18695	1.1
442.17291	1.4
456.18863	2.3
457.19357	0.8
483.17615	6.6
484.18222	1.0
500.17807	1.4
501.18439	2.7
502.19119	2.6
515.20172	1.5
532.20209	1.0
579.25806	7.6
580.25830	0.8
623.24701	100.0
624.25177	6.6
655.27313	44.0
656.27704	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	655.2738
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
69.03395	0.9
71.43111	0.5
71.43529	0.7
85.01939	0.6
91.05440	0.6
97.02833	2.0
113.72714	0.6
117.03354	0.7
120.22168	0.6
121.02847	1.5
145.02866	1.2
145.04906	1.3
147.04332	2.1
163.05995	1.2
177.05444	2.9
178.27875	0.8
180.59123	0.7
193.08530	1.5
198.05318	1.0
207.06573	0.7
209.07959	0.8
227.05649	0.8
237.13959	0.6
253.71317	0.7
275.11523	0.9
287.05426	0.8
289.09564	0.9
293.12741	1.8
297.12198	0.9
299.11600	0.8
303.10959	1.1
311.13748	3.5
315.10999	1.4
316.11929	2.2
317.12589	11.2
318.13239	5.9
319.10507	7.9
320.11072	2.3
329.06366	0.7
331.06119	0.7
346.09024	0.9
360.10715	1.8
361.11566	99.2
362.12198	13.0
363.12933	1.1
393.14120	11.8
405.06006	1.2
412.19943	1.8
424.16306	1.4
439.18781	1.7
442.17194	1.0
456.19040	2.6
460.18478	2.3
483.17596	11.6
484.18210	1.5
501.18616	2.4
502.19495	9.2
515.20557	0.8
532.20703	1.4
534.22144	1.7
579.25830	9.0
580.26105	1.0
611.28699	2.6
623.24719	81.1
624.25061	5.8
655.27325	100.0
656.27667	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	655.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42976	0.4
65.35063	0.5
66.33212	0.4
69.09515	1.2
69.09941	1.6
87.38873	0.4
118.72921	0.3
119.71947	0.4
121.04557	0.4
129.40868	0.4
144.04219	0.4
145.04964	2.3
146.05719	0.8
162.05153	1.1
163.05951	1.7
177.05569	0.7
182.52222	0.4
188.06813	3.5
189.07382	0.5
213.03839	0.9
226.04588	0.4
227.05499	6.8
251.19334	0.5
274.10617	0.5
278.08871	0.4
288.08716	0.4
293.12564	1.7
297.12338	0.6
299.11346	0.7
300.20105	0.4
301.09515	1.2
302.10107	0.6
303.11139	0.6
304.11835	0.6
311.13629	19.9
312.14056	0.5
315.10925	1.7
316.11734	3.5
317.08948	1.3
317.12479	9.5
318.13309	3.5
319.10504	8.1
320.11212	2.2
325.78647	0.4
333.12070	0.7
335.10043	1.7
343.10510	0.7
359.09955	2.2
360.10754	7.7
361.11545	65.5
362.12241	6.8
363.12900	1.1
367.12680	2.3
393.14178	8.6
395.15649	0.5
398.18576	0.6
412.19955	0.5
424.16296	0.8
439.18753	0.9
442.17365	1.2
456.18683	2.2
457.19656	0.9
460.18387	0.7
473.15662	0.4
483.17673	5.3
484.18497	0.7
500.17941	2.0
501.18533	2.4
502.19592	3.6
515.20380	1.3
532.20557	1.3
551.75763	0.5
579.25897	6.8
580.25824	0.6
623.24707	100.0
624.24927	6.3
648.08643	0.4
655.27301	68.9
656.27686	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23357	0.5
60.23645	0.5
63.08952	0.5
73.02928	0.9
79.05444	1.1
79.59982	0.5
81.07066	0.6
87.04475	0.9
89.06018	2.8
91.05489	0.8
93.07058	0.8
95.04962	0.9
105.07018	11.5
106.07359	1.9
107.08607	0.6
109.10143	0.6
119.08537	0.6
131.08585	0.7
133.08577	1.3
133.10107	0.7
139.01619	0.7
241.51715	0.6
251.14320	0.6
305.06616	0.5
343.99805	0.6
377.17584	0.6
391.19141	1.3
392.19836	0.9
393.21002	0.8
405.16922	2.0
405.21472	0.7
406.21872	1.0
407.22476	3.9
418.17654	0.6
419.18219	3.9
420.19247	1.7
421.20300	1.7
422.92139	0.6
432.19385	0.9
433.20541	5.8
434.20911	6.1
435.21933	10.0
436.22513	1.1
447.17322	1.6
447.21832	2.9
448.18170	1.2
448.23483	0.9
449.19623	1.8
460.22961	0.7
461.18964	1.0
461.24301	0.9
462.20145	5.9
463.21014	4.2
464.21945	0.7
475.21075	2.0
476.21808	1.8
477.22897	1.5
478.23914	0.7
479.20898	0.8
489.22650	1.6
493.21667	1.0
495.23746	1.6
507.23932	1.5
508.24710	2.7
509.25327	3.5
521.25568	14.0
522.25616	1.8
535.26770	0.9
549.24945	22.5
550.25165	2.3
553.24347	1.1
563.26563	3.5
564.26971	1.0
567.25793	0.8
577.24573	0.7
581.27612	4.0
595.29224	12.2
596.29370	1.1
609.17926	0.9
609.27057	14.1
610.27063	0.7
623.28363	2.3
655.29956	100.0
656.30621	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
60.25780	0.6
62.62399	0.6
67.05496	0.9
69.07878	3.9
73.02920	1.3
79.05487	2.1
80.90642	0.5
81.07040	1.7
87.04468	1.4
89.06021	5.2
90.23824	0.6
91.05477	2.7
93.07049	1.5
95.04944	1.9
95.08596	1.2
103.05491	1.1
105.07024	22.5
106.02903	0.7
106.07355	2.4
107.08573	0.7
108.79558	0.5
119.08593	0.8
121.06455	0.8
124.03941	2.2
129.06882	0.7
131.07039	0.6
131.08542	1.2
133.08612	2.5
133.10104	0.9
135.68701	0.5
139.01532	0.8
159.11676	0.9
177.11269	0.8
183.51744	0.6
197.01187	0.7
201.71793	0.5
224.09233	0.6
225.12831	1.1
232.16356	0.6
253.15927	0.6
270.09015	0.5
291.19675	1.0
377.17661	0.7
391.19128	1.1
405.16690	1.4
407.22269	3.9
419.18640	2.4
420.19241	0.8
421.20212	1.5
433.20966	3.7
434.21106	4.8
435.21820	7.3
436.22232	1.3
446.20898	0.6
447.17889	1.8
447.22766	0.8
448.23044	0.8
449.19727	1.3
461.19095	0.8
462.20432	4.6
463.20987	3.6
475.21121	1.7
476.21674	1.0
477.22623	1.2
489.22818	0.8
495.23572	1.3
508.24600	1.7
509.25412	1.8
521.25677	10.3
522.25940	0.9
532.90405	0.7
549.24927	15.7
550.24878	1.0
563.26630	2.7
581.27484	2.4
595.29352	6.6
596.28809	1.0
609.26978	8.5
610.27698	0.8
623.28156	1.6
655.29889	51.4
655.37988	100.0
656.30652	5.9
656.38550	6.0
677.26080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
57.03430	1.2
65.03928	1.0
67.64420	0.4
68.99785	0.4
69.03431	2.9
69.21957	1.7
70.06572	0.5
71.04990	5.2
72.08134	0.5
77.48508	0.4
81.03418	1.7
83.04966	0.9
85.02899	8.1
87.00827	0.9
89.03914	1.3
95.04996	0.4
97.02884	100.0
98.03224	1.5
99.04458	0.7
103.03969	0.4
104.96708	0.4
105.01893	0.6
105.07018	0.4
107.04886	0.4
109.02908	1.0
111.04440	1.9
114.05481	0.5
117.03359	4.5
121.02857	31.0
121.06496	0.8
122.03178	0.4
127.03909	1.4
129.05460	3.0
133.02815	1.0
135.04347	0.6
137.05943	0.8
139.03886	1.1
145.02838	18.5
146.03149	0.6
147.04367	0.8
147.06494	0.9
149.05942	2.2
151.03954	2.2
157.06462	0.5
159.23470	0.4
161.05894	0.5
163.03879	1.1
167.07069	0.6
174.06725	0.8
177.05455	55.2
178.05803	1.6
181.04884	0.5
186.06805	0.4
189.03893	1.0
189.09058	2.0
195.06386	1.0
199.07497	0.9
207.06577	0.6
211.05998	1.1
217.03001	0.8
217.04955	9.3
217.08502	0.7
219.10162	8.2
232.07689	0.4
235.05969	3.0
241.07074	0.7
253.07010	4.2
305.09717	0.4
323.11047	1.1
327.07059	0.6
339.10767	9.5
345.08276	1.0
408.28604	0.4
408.57596	0.5
481.66110	0.4
483.11105	1.2
501.11990	2.0
653.03888	0.5
656.24121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03936	0.2
53.24550	0.2
55.01871	0.4
55.05490	0.2
57.03447	0.3
59.04996	0.3
61.02919	0.4
65.03935	0.7
65.61401	0.1
67.05495	0.8
68.99769	0.4
69.03420	1.9
70.06578	0.2
71.05002	0.3
73.02906	0.4
73.06559	0.8
73.57390	0.1
73.69070	0.2
79.05481	0.6
81.03429	1.0
81.07069	0.3
83.04977	0.9
85.02903	1.5
87.00841	0.7
87.04453	0.4
89.06027	1.4
91.05473	1.7
91.10776	0.2
93.03379	0.3
95.04967	0.8
97.02887	100.0
98.03212	1.1
99.04454	0.4
100.11317	0.2
103.03957	0.4
103.05489	0.3
105.01891	0.5
105.07006	0.3
107.04955	0.5
108.02080	0.9
109.02892	0.8
109.06532	0.2
111.04432	1.3
114.05534	0.5
115.03933	0.3
117.09119	0.6
119.04942	0.5
120.08123	0.2
121.02856	1.5
121.03739	0.2
121.03935	0.2
123.04417	0.3
125.05972	0.4
127.01578	0.6
127.03910	1.1
129.01820	0.4
129.05490	0.7
131.04919	0.4
133.08585	0.6
135.04413	0.9
136.01567	0.2
137.05968	0.3
139.01538	0.4
139.03905	0.6
141.05444	1.1
145.04890	0.2
147.02922	0.2
147.04420	0.6
151.03899	55.1
151.04962	3.7
151.21309	0.1
152.04237	1.0
153.03099	0.6
153.05521	0.2
159.02840	0.2
161.05954	0.3
161.11752	0.2
163.03903	2.7
166.02592	0.3
169.04865	0.2
175.04068	0.2
176.04654	0.3
177.05457	0.6
177.11293	0.3
181.04938	9.6
182.05270	0.2
184.78244	0.2
189.03932	0.7
189.05447	0.2
191.07007	0.9
192.07448	0.2
197.05692	0.4
199.06071	0.3
200.91672	0.1
201.05489	0.3
203.06963	0.2
205.05000	0.4
207.06511	0.4
213.03925	0.2
215.05490	0.4
219.06523	1.7
223.05963	0.5
229.04941	0.3
241.07036	0.6
247.06003	16.5
248.06311	0.6
255.06505	0.2
265.07062	16.2
266.07391	0.6
283.08130	4.2
284.08368	0.3
287.01831	0.5
327.07101	0.7
345.08182	1.3
355.11844	0.2
391.10187	0.2
397.36884	0.2
404.07651	0.3
405.06046	2.4
420.07919	0.3
495.11237	0.4
513.12701	0.9
528.86456	0.2
531.13416	2.7
532.13501	0.3
613.42120	0.2
657.15564	0.3
661.51001	0.2
663.66833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02378	0.8
52.92976	0.2
53.03959	1.2
55.01873	1.3
55.05499	0.2
57.03444	1.0
58.29358	0.2
59.24759	0.2
61.02930	1.4
68.87643	0.2
68.99791	0.9
69.03427	8.3
71.01349	0.3
71.04995	0.7
73.02916	1.3
78.03448	2.2
81.03417	5.7
81.03901	0.3
83.01296	0.3
83.04980	0.6
85.02904	17.3
86.03255	0.2
86.05428	0.2
87.00822	3.6
87.04454	0.3
91.03963	0.5
95.04979	0.4
96.04491	100.0
97.02261	0.3
97.02886	6.9
97.04824	1.3
99.04457	2.3
101.02339	0.2
103.03938	0.9
105.01859	3.3
105.07033	0.3
109.02875	8.4
111.04453	0.6
116.82258	0.2
117.01882	0.3
123.04425	0.9
125.02329	0.3
127.03911	12.0
129.01862	1.0
129.05489	0.2
131.04941	0.5
136.07570	1.4
137.02274	0.2
138.26553	0.2
139.03853	0.3
145.04964	5.0
147.02885	1.1
147.04414	0.2
149.06017	0.3
151.03906	0.9
151.07559	2.2
159.02876	2.6
163.03915	0.3
169.04982	0.4
181.04990	0.5
187.05966	1.0
189.03955	0.8
205.07063	0.6
208.54071	0.2
211.05902	0.2
213.03963	0.8
231.04990	3.5
246.11252	11.5
247.11583	0.3
249.06081	0.8
408.16339	0.3
450.17938	0.3
494.16550	4.5
570.21967	0.3
600.27643	0.3
656.21869	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	656.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33301	0.8
55.05504	1.0
63.10624	0.8
66.99935	0.7
67.05499	1.2
68.12326	0.7
69.07035	0.7
71.04980	0.9
71.08613	1.9
71.75453	0.8
73.02906	2.9
79.05475	1.9
81.07030	1.1
87.04466	12.2
88.04772	0.9
89.06024	15.4
89.06544	1.4
91.05478	3.2
93.07024	1.5
95.04934	2.0
95.08604	1.2
98.22633	1.7
102.06867	0.9
103.05453	1.2
105.07014	17.4
106.02905	1.1
106.07373	1.6
106.38811	0.8
107.04931	0.9
107.08554	0.8
113.77200	1.0
115.07563	1.8
119.08573	1.9
121.06515	1.0
124.03941	4.5
125.00439	0.8
127.01579	3.0
131.04921	0.8
131.07040	1.5
131.08582	1.5
132.10201	2.1
133.08604	8.6
133.10153	1.0
145.10104	1.0
147.08064	1.5
175.68166	0.8
177.11235	3.8
221.13916	1.7
221.90739	0.8
223.27888	0.8
240.18781	1.0
277.02774	0.8
291.19522	1.3
334.19516	0.8
533.19342	20.9
533.27264	1.6
534.19293	1.8
656.22430	100.0
657.22772	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	656.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.9
67.05502	3.9
69.20257	14.5
73.02896	2.4
79.05483	3.4
79.32771	2.0
81.03449	2.9
81.07039	3.9
85.00390	2.7
85.02910	4.6
87.04471	4.1
89.03908	2.6
89.06031	10.1
91.05467	3.7
93.07065	6.9
94.06588	8.9
95.08636	2.4
97.02876	3.9
98.22652	4.5
103.05434	3.1
107.25148	2.1
108.08133	5.0
116.04985	8.5
120.04465	3.7
120.08088	19.1
121.02863	8.1
122.06023	32.9
124.07635	4.6
127.01551	5.4
127.68683	2.1
131.65756	2.6
133.08630	4.4
136.07574	28.4
139.01608	2.4
144.04433	18.8
147.04425	7.2
148.07565	43.2
152.07040	4.8
153.03110	6.5
162.05510	5.6
166.08626	3.3
172.03925	75.2
190.04977	24.7
196.10060	2.5
204.06549	100.0
208.09880	5.1
214.10732	5.3
223.08644	2.8
223.12277	5.6
236.09531	5.8
237.10289	5.8
238.11008	3.0
249.10229	3.0
250.11102	5.9
251.08182	9.3
251.11748	6.7
252.08827	5.5
253.09807	6.8
263.08325	2.6
264.09012	10.4
265.09552	14.5
266.10675	4.2
267.11258	4.6
278.10516	4.1
279.07727	12.1
279.11282	26.7
280.08475	3.3
281.09332	2.5
292.08463	5.9
293.09125	17.9
294.09991	10.3
295.10767	3.7
297.12357	7.9
307.10764	22.4
308.11099	3.2
309.12271	8.6
310.09418	3.1
311.10349	4.2
313.11456	2.7
320.07916	5.7
325.11829	14.9
327.13037	2.6
335.10208	9.4
338.08865	14.6
339.09570	3.4
339.13361	14.5
341.11258	15.9
353.11282	48.0
367.12842	4.4
373.13885	7.6
382.10318	2.5
385.13989	14.1
405.05865	11.4
406.06473	3.2
411.06403	3.2
411.11868	64.8
429.13043	9.5
443.14328	7.5
460.19031	2.8
488.18387	7.3
520.20581	7.8
538.21875	4.6
548.20337	22.8
580.22833	55.2
581.23297	2.6
592.19427	24.4
624.21863	51.9
625.22131	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	656.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01878	0.7
57.03407	0.7
57.38412	0.4
61.02927	0.6
65.32562	0.4
68.99764	0.4
69.03426	2.7
69.47161	0.4
70.06560	0.4
71.04984	1.1
73.02918	0.6
79.05511	0.4
81.03420	2.3
85.02900	6.7
87.00829	3.3
87.04466	1.6
91.05479	1.0
97.02878	2.3
99.04466	1.0
105.01873	1.2
107.04950	1.2
109.02890	2.1
115.03928	0.7
115.05408	0.7
123.04412	0.7
127.03902	2.8
128.06203	1.3
129.05540	0.5
129.07010	5.1
131.04936	0.8
131.08566	6.1
133.02855	0.7
135.04401	1.1
137.05983	1.8
141.06975	4.3
143.08537	0.7
144.05688	0.6
145.04974	1.5
145.06447	0.7
147.04369	0.5
151.07599	0.6
153.05516	0.7
157.06465	5.2
158.07256	1.9
159.02893	1.0
159.08057	5.5
160.05176	0.8
161.04498	0.7
161.06061	0.4
161.09608	0.7
163.03915	1.6
167.07051	1.2
169.06436	2.4
170.07259	1.1
171.08022	1.1
173.05943	0.6
174.06758	11.6
175.07515	2.8
179.03360	0.5
186.06779	2.8
187.07529	1.4
188.08345	0.8
189.09100	22.2
190.09479	1.1
191.10664	1.7
201.09087	7.1
202.09465	0.5
203.10603	3.9
207.10187	0.8
219.10153	100.0
220.10480	3.0
231.04999	0.6
237.11208	1.4
249.10999	0.5
271.43805	0.4
317.80939	0.4
323.07355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88308	0.6
57.03426	1.7
66.44272	0.7
69.03419	1.4
69.83496	2.3
71.04988	9.6
71.34518	0.7
83.04966	0.8
85.02895	10.0
88.28770	0.7
89.03907	2.2
96.98911	0.7
97.02876	3.3
99.04433	1.0
117.03355	3.8
121.54381	0.7
125.15938	0.7
129.05431	3.2
135.04382	9.3
140.04501	0.8
145.02840	10.1
147.06554	1.4
147.11877	0.6
163.03888	100.0
164.04221	1.9
177.05389	0.7
181.04921	1.5
226.00826	0.7
307.08112	1.0
325.09149	16.5
455.20901	0.8
570.04657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01854	2.0
56.15483	0.6
57.03432	1.6
61.02905	1.4
61.18030	0.6
68.99784	1.1
69.03419	9.7
69.25790	0.6
69.26105	3.9
70.06573	0.6
71.04977	2.0
73.02908	2.0
79.05484	2.7
81.03408	9.2
85.02399	1.3
85.02896	19.4
87.00826	8.5
91.03995	0.7
91.05453	4.9
93.07032	2.7
95.04955	2.1
97.02876	8.6
99.04429	4.4
103.05455	2.3
105.01852	3.9
105.06996	3.0
106.04130	0.8
107.04933	8.6
108.04470	2.3
109.02866	6.8
115.05436	1.6
117.01795	1.7
117.07012	1.5
119.04949	1.8
121.02856	1.5
121.06494	5.7
123.04421	2.2
124.05211	1.4
126.05513	1.2
127.03911	10.3
128.06175	1.5
129.01823	1.2
129.06973	7.2
131.04935	3.0
131.08556	4.2
133.06473	1.6
133.10143	0.7
135.04454	0.9
135.08031	2.0
137.05954	6.3
138.06776	0.7
141.06981	1.7
143.04904	0.9
145.04974	3.7
145.06432	1.8
146.07246	1.3
147.04431	1.9
147.08040	1.4
148.05156	1.1
149.05989	2.3
150.06668	0.9
151.03935	1.5
151.07539	6.9
152.04697	0.7
153.05455	3.4
157.06494	7.1
158.07176	1.3
159.02859	4.4
159.08037	2.8
161.05945	10.2
161.09589	3.4
163.03859	0.8
163.07500	7.5
165.06932	0.9
165.09114	2.7
166.06210	2.7
167.07027	38.1
168.07396	1.5
169.10167	0.7
174.06711	5.1
175.07552	6.6
177.05528	1.2
177.09123	11.5
179.07007	1.0
179.08447	1.1
181.05113	1.6
181.08585	32.7
182.07272	0.9
183.08072	0.8
187.07532	1.3
188.08043	0.8
189.09091	28.9
191.07007	3.4
191.08543	1.2
191.10648	0.9
193.06792	1.2
193.08571	5.3
194.07265	1.1
195.08051	3.0
195.10078	1.2
195.50313	0.7
197.09624	2.8
200.40686	0.8
201.09076	2.6
203.10612	1.4
205.10225	0.8
207.06497	1.8
207.08206	1.0
207.10057	6.4
208.08856	1.0
209.08092	1.3
210.06743	1.5
215.85252	0.7
219.05000	1.0
219.08069	1.5
219.10126	21.0
221.06012	1.3
221.11710	2.1
222.06746	1.0
223.07637	1.1
223.11174	1.9
224.08296	1.2
225.09090	4.9
227.06984	0.9
231.05067	2.4
235.07375	1.3
236.08340	2.0
237.09077	1.2
239.10762	1.1
240.07770	1.0
241.08713	0.8
242.09329	1.1
247.07533	1.4
248.07867	1.2
249.11279	2.4
250.09796	1.0
251.07069	0.8
251.10623	2.6
252.07739	1.0
253.08585	4.9
254.09480	0.9
255.06331	1.5
255.10176	1.4
257.11664	4.9
261.08914	1.0
263.06909	1.0
264.07690	0.8
265.08612	1.3
266.08990	1.0
267.06760	0.9
267.10065	1.6
268.07327	1.1
270.08878	1.9
273.11209	0.9
279.10135	2.0
283.09619	4.7
283.13245	3.1
285.11176	12.2
295.09732	0.8
297.11084	1.3
299.09219	1.1
299.12833	1.6
302.11508	1.3
311.12701	2.6
315.12198	7.2
317.13858	7.4
327.12265	1.3
329.13885	4.0
331.15372	1.6
341.13849	4.5
343.15411	11.5
353.13654	0.9
359.14978	1.0
361.16406	100.0
362.16534	3.7
373.16495	8.3
383.14871	1.3
385.16443	2.8
397.16537	1.5
419.14255	1.0
427.17410	1.3
433.16742	0.9
451.17392	3.5
469.18494	1.3
578.42834	0.8
644.95258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07447	0.8
50.93446	0.8
52.19095	0.7
52.53123	0.8
53.43661	0.9
55.05498	3.3
57.03437	8.7
59.05003	1.4
61.02927	7.0
69.03432	15.7
69.47182	3.5
71.01365	1.2
71.04993	55.3
73.02902	3.8
75.04485	7.2
81.03409	3.1
83.04986	15.1
85.02904	100.0
87.04491	2.1
88.62805	0.8
90.33525	0.8
91.03942	5.2
91.05486	4.8
93.07041	1.6
95.04977	1.9
97.02885	6.9
99.04440	1.3
103.03915	1.6
109.02871	2.0
111.04442	10.0
119.04920	3.9
121.06482	2.3
127.03949	6.2
129.05473	47.0
133.06488	0.9
133.14676	0.8
145.04959	6.1
147.06523	35.0
149.06015	1.6
150.06709	1.0
151.07538	24.4
161.06020	0.8
163.05994	5.6
163.07533	3.2
165.07764	1.4
165.09097	4.4
169.08582	4.7
179.07022	2.3
181.08604	9.3
189.09201	0.9
189.99936	0.8
193.08600	7.4
235.09679	3.5
255.08640	5.2
261.11200	8.9
273.09680	4.4
277.10760	2.2
279.12326	4.0
291.10739	1.0
295.11713	1.5
309.11807	8.6
422.47559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01838	0.9
55.05508	1.1
57.03435	8.8
61.02913	3.0
69.03067	1.4
69.03425	27.2
69.93257	1.2
69.93626	3.0
71.01344	1.2
71.04989	52.4
73.02906	2.8
75.04485	6.2
81.03400	3.7
81.69973	0.9
83.04978	12.8
85.02898	100.0
86.03221	0.9
86.06057	1.0
87.04465	1.7
91.05476	12.4
93.07025	2.3
95.04942	2.6
97.02894	9.6
98.22820	1.4
99.04458	2.7
103.03949	1.3
105.07002	1.4
109.02871	2.2
111.04438	11.8
116.63125	0.8
117.06997	0.9
119.04948	10.0
121.06511	5.8
127.03916	6.8
129.05473	39.6
129.44934	0.8
131.04890	2.9
133.06506	1.1
136.05223	2.1
137.05963	1.4
143.04974	1.0
145.04945	6.3
147.06516	27.1
149.05986	2.8
151.03918	3.1
151.07530	63.3
157.06480	1.6
161.05942	1.7
163.06067	2.4
163.07532	7.1
165.07730	2.1
165.09097	11.2
165.63716	0.9
169.01273	1.2
169.08614	12.3
175.07510	1.8
179.06982	3.3
181.08572	16.4
187.12012	0.9
189.09036	1.6
193.08595	17.6
203.07149	1.1
205.04747	3.1
205.08603	1.5
206.05109	1.3
217.08598	2.5
235.09702	7.7
237.07487	1.5
255.08611	2.9
261.11185	18.1
273.09695	4.6
277.10690	3.0
279.12311	8.5
295.11642	2.3
303.04980	4.4
304.05316	4.9
309.11804	8.1
331.82657	1.0
480.08350	2.7
656.22443	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	656.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61599	0.9
59.69704	0.8
65.88416	0.9
69.03400	1.4
69.78214	1.7
71.25496	1.0
79.05490	1.6
81.03428	1.6
83.08573	1.1
85.02888	2.5
87.00816	1.3
91.05479	1.2
93.07021	1.4
95.08564	1.1
97.02915	1.3
98.22750	1.9
105.07017	1.6
107.04942	2.2
107.08598	1.3
108.66962	1.0
117.06973	0.9
119.08569	2.6
121.10156	10.4
127.03898	2.0
127.77291	1.1
133.10156	1.3
135.04459	1.1
137.05960	1.0
149.02373	1.3
151.07567	1.8
163.03900	26.5
163.07562	2.2
165.05469	4.8
177.05458	57.6
187.07515	1.4
189.05522	1.1
191.07016	15.8
193.08540	1.2
195.06599	2.4
203.06943	1.0
205.08730	1.2
215.10718	1.5
217.08607	2.6
223.05873	1.4
227.10620	1.9
229.08572	1.5
243.10121	1.7
257.15417	2.2
267.13852	1.0
285.14740	5.6
295.17023	1.9
313.17944	7.8
317.15176	0.9
324.76917	1.0
331.19034	4.4
345.16934	17.9
373.20053	57.0
374.20435	2.5
388.02237	1.0
388.07394	1.1
391.21115	100.0
392.21490	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	656.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01866	1.9
55.05502	1.9
57.03434	1.8
61.02926	1.0
65.03944	1.1
67.05505	3.1
68.99784	0.7
69.03431	5.8
69.07053	1.2
69.60835	2.7
70.13329	0.7
71.04985	1.6
73.02905	0.8
79.05486	4.4
81.03403	6.2
81.07049	5.0
83.04968	1.0
83.08607	0.9
85.02902	17.0
87.00829	5.6
87.04462	1.3
89.06004	1.2
91.05479	7.8
93.07040	11.8
95.04961	3.0
95.08594	7.5
97.02895	7.8
97.06529	1.2
99.04449	3.3
103.05456	0.7
104.93049	0.6
105.01852	5.2
105.07029	8.7
107.08595	11.0
109.02888	9.0
109.06509	15.2
109.10133	4.2
111.04418	3.5
113.05956	0.7
117.07011	2.8
119.04925	1.9
119.08570	17.7
121.06507	1.9
121.10123	7.3
123.08040	2.0
125.05972	2.4
127.03901	14.3
129.01772	0.8
129.07007	2.8
131.08554	5.3
133.06474	1.5
133.10118	5.8
135.08086	2.0
135.11707	2.0
137.05978	3.1
137.09619	1.5
139.07520	0.9
141.06952	1.5
142.07771	2.3
143.08545	6.1
144.09381	0.7
145.04959	3.3
145.06514	0.8
145.10127	6.6
147.04387	1.4
147.08046	2.8
147.11691	6.2
149.06013	0.8
149.09633	4.0
150.10429	1.0
151.07535	2.5
151.11177	0.9
153.05470	1.0
155.08585	3.0
156.09366	2.1
157.10117	7.2
158.10872	1.0
159.02968	1.1
159.08072	1.3
159.11703	5.8
161.05945	0.7
161.09648	3.0
161.13245	1.7
163.07567	1.9
163.11214	1.6
165.07016	1.2
165.09097	2.4
167.08553	1.0
168.09357	0.7
169.10141	4.6
171.07941	0.7
171.11685	4.9
172.12460	1.4
173.09616	1.4
173.13278	2.7
175.11142	1.8
175.14810	0.7
176.11961	1.9
177.05472	0.8
177.09125	1.6
177.12714	1.4
179.08644	0.9
181.09962	1.4
182.10909	1.6
183.08121	0.7
183.11687	3.8
185.09619	1.2
185.13263	3.0
187.05994	1.1
187.07524	1.4
187.11218	1.3
187.14827	1.6
189.09091	2.3
193.10158	1.8
194.10976	0.8
195.11693	2.7
196.12375	1.5
197.13164	3.4
199.11214	1.1
199.14796	1.8
201.09096	2.6
201.16431	1.6
203.10695	1.4
203.14325	1.1
207.11797	1.3
209.13268	2.7
210.13940	1.0
211.11249	1.0
211.14777	3.3
213.03909	6.8
215.10677	1.9
221.13304	1.6
223.11179	1.0
223.14716	1.5
225.12837	1.6
225.16307	1.9
229.12251	1.6
229.15884	1.0
231.05048	1.9
239.10686	1.1
239.14357	1.2
241.12210	1.8
245.15318	0.8
247.16850	0.8
249.16383	1.1
251.17896	1.3
253.12379	0.8
253.15929	2.1
255.13805	0.8
257.15335	3.7
267.17429	1.9
271.16760	3.5
275.16440	1.1
277.15936	1.3
285.18521	1.7
289.17920	1.0
295.16943	13.5
297.18521	0.8
313.17960	25.3
331.18982	7.6
352.81747	0.7
365.01080	0.7
366.78293	0.7
373.16068	0.8
373.20160	6.1
391.21118	100.0
392.21301	4.3
432.23721	0.7
543.22241	0.9
558.36731	0.8
603.24536	3.6
656.47113	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	656.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.4
51.02380	0.7
53.03935	0.8
55.05508	1.4
55.72364	0.3
57.07083	0.4
58.92353	0.3
65.03938	0.9
67.05503	2.6
69.03424	0.3
69.07060	0.9
69.28883	1.8
73.06548	1.1
78.03450	6.1
79.04257	0.4
79.05489	2.5
80.05018	5.1
81.03410	3.9
81.07056	2.4
81.36523	0.4
83.04969	1.3
83.08624	0.3
91.05472	3.7
93.07043	4.5
95.04967	1.9
95.08605	3.3
96.04494	5.3
97.02897	0.7
97.06489	0.8
103.05460	0.6
105.04532	0.4
105.07030	5.8
106.02913	13.9
107.04988	0.4
107.08585	5.0
109.02864	0.5
109.06501	1.1
109.10164	1.1
111.04424	3.1
111.08072	0.5
115.07566	29.4
117.07002	1.4
119.08576	8.8
121.06506	1.0
121.10145	4.2
123.08040	0.9
123.11732	0.5
124.03947	100.0
125.02322	0.3
125.04283	1.0
127.03925	2.9
128.06192	0.8
129.07001	1.5
130.07793	0.8
131.08565	4.8
133.06462	1.2
133.08600	0.8
133.10123	5.4
134.07249	2.0
135.08025	1.1
135.11682	0.5
137.05971	0.6
137.09506	0.3
139.07532	0.4
141.06993	1.0
142.07753	1.9
143.07045	3.8
143.08565	3.5
144.09366	0.8
145.10110	7.9
146.10925	0.3
147.08064	1.9
147.11679	3.8
149.09598	0.8
151.07530	0.4
153.06960	0.6
154.07814	0.6
155.08527	3.1
156.09364	2.5
157.10107	6.4
158.10898	1.4
159.08029	1.2
159.11668	4.7
161.09657	1.4
161.13251	0.9
163.07573	0.5
165.06984	0.9
165.09032	0.5
166.07686	0.4
167.08553	1.2
168.09312	0.8
169.10126	4.2
170.10898	2.2
171.08061	0.5
171.11681	5.3
172.08839	0.3
172.12459	1.4
173.09593	2.3
173.13232	6.1
175.07584	0.5
175.11238	1.1
175.14830	0.7
177.09186	0.6
179.08554	1.0
180.09283	0.9
181.10095	1.8
182.10902	1.5
183.08090	0.7
183.11688	6.8
185.09663	1.0
185.13185	2.8
186.10400	0.6
187.11217	2.6
187.14818	10.9
188.11908	1.2
188.15427	0.5
189.09187	0.6
192.09412	0.7
193.08585	0.6
193.10150	1.6
194.10832	1.0
195.07892	0.4
195.11655	2.2
196.12515	0.9
197.09578	0.9
197.13237	6.2
198.14030	4.2
199.11223	0.8
199.14767	1.1
201.09061	1.1
201.12701	1.8
203.10760	0.6
203.14308	5.5
205.10144	0.6
205.15918	1.0
206.10884	1.1
207.11638	2.5
208.12389	0.4
209.13252	3.0
210.14020	0.5
211.11159	1.3
211.14835	2.0
213.09087	0.5
213.12718	0.4
215.10710	1.4
215.14301	4.4
216.15054	1.5
219.11748	0.9
220.12415	1.1
221.13214	2.0
223.14864	1.1
224.15590	0.3
225.12772	0.9
225.16365	1.9
227.10922	0.3
229.12236	0.8
229.15924	0.8
231.10239	1.7
234.14029	1.0
235.11040	0.8
235.14836	1.6
237.12708	0.4
239.10564	0.8
239.14331	0.9
239.17923	1.5
249.12819	0.5
249.16364	2.3
251.14304	0.5
251.18005	1.0
253.12306	1.1
253.15816	1.9
255.13718	0.6
257.15250	0.8
267.14487	0.5
267.17432	3.2
271.16922	2.7
277.15857	2.0
285.18503	2.9
286.18854	0.4
295.16904	14.5
295.20206	0.7
296.17236	0.6
310.18021	1.1
313.17960	17.0
314.18271	0.6
331.18933	1.4
340.53922	0.3
355.18909	0.6
373.20184	0.6
418.19977	0.8
436.21164	1.5
454.22095	0.5
478.22128	0.4
496.23288	3.8
554.26886	0.4
559.73840	0.3
578.27209	0.6
596.28638	2.0
614.29419	1.7
638.29822	0.8
656.22437	1.6
656.31366	8.4
657.30994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.1
51.02383	2.3
53.82803	0.6
55.05505	1.7
56.96561	0.8
57.52348	0.9
59.04987	0.6
67.05495	3.5
69.07056	1.9
69.71841	1.1
69.72173	1.2
72.83736	0.7
75.19810	0.7
78.03447	18.9
79.05482	3.8
81.03429	4.6
81.07040	3.1
83.04978	1.8
87.04448	0.9
89.06036	1.0
91.05476	8.1
93.07040	5.4
95.04980	2.2
95.08589	4.6
96.03902	1.1
96.04472	6.0
97.02905	1.5
97.06488	0.8
98.22752	0.9
98.91952	0.8
105.07027	11.2
106.02911	100.0
107.03250	1.1
107.04999	0.9
107.08589	4.9
109.06492	1.7
109.10172	1.1
110.35050	0.6
111.04430	2.8
117.07011	3.1
119.04951	1.3
119.06071	1.1
119.08575	11.8
121.06508	1.8
121.10115	4.4
123.08088	1.4
123.31487	0.7
124.03949	52.0
127.03931	3.7
128.06218	1.5
129.07027	2.0
131.08563	6.4
133.06505	1.7
133.08615	0.9
133.10120	8.6
134.07275	2.7
135.08063	1.4
137.05997	0.8
141.06993	2.2
142.07771	3.1
143.08531	5.8
145.10104	12.8
147.08052	1.5
147.11687	5.3
149.09605	1.2
154.07756	0.7
155.08543	3.3
155.25932	0.7
156.09335	3.6
157.10121	8.3
158.10938	1.4
159.08060	1.8
159.11682	6.9
161.09669	2.2
161.13242	1.7
165.06976	1.5
167.08556	1.4
168.09273	1.7
169.10126	5.2
170.10915	4.2
171.08054	1.1
171.11659	5.0
172.12534	1.9
173.09596	3.4
173.13251	6.2
174.13817	0.8
175.11151	1.8
175.14827	1.0
177.09059	1.0
178.08638	10.9
179.08585	1.5
180.09398	0.9
181.10135	2.8
182.10936	2.1
183.08102	0.9
183.11665	8.6
184.12491	0.9
185.09605	1.6
185.13206	4.1
187.11217	2.7
187.14809	10.5
188.11972	2.3
188.15514	0.8
192.09372	1.6
193.10118	2.2
194.10902	1.6
195.11710	3.2
196.12428	1.8
197.13225	7.7
198.14023	3.5
199.14844	1.0
201.09021	0.7
201.12773	2.0
203.14319	6.3
205.10278	1.0
205.15939	1.4
206.08145	3.1
207.11678	2.9
208.12332	1.6
209.13292	2.7
211.11102	1.3
211.14827	3.0
215.10796	1.3
215.14326	4.3
216.15120	1.6
219.11702	1.3
220.12476	2.3
221.13278	3.0
223.14844	1.5
224.09142	17.5
225.12859	0.9
225.16408	2.1
231.10109	1.1
234.14116	1.4
235.14824	2.2
239.14282	1.0
239.17982	1.5
249.16449	2.5
253.12323	1.0
253.15842	2.0
267.17499	2.5
271.16943	1.4
277.15857	1.7
285.18521	1.9
292.16891	0.8
295.16919	8.4
304.14325	0.8
313.17978	11.5
314.18643	0.9
536.26221	0.9
596.28687	4.0
614.20294	1.0
656.30615	82.1
657.31122	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	657.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	5.8
70.06596	9.8
83.01376	2.8
85.02888	2.9
87.38792	1.9
91.05505	5.9
95.04982	2.5
96.04504	2.6
100.03982	3.2
101.87712	2.0
103.05468	23.4
105.06998	3.1
107.04958	10.1
109.02939	2.5
116.07101	4.7
119.04972	2.5
126.01089	6.9
131.04919	56.1
135.04527	2.6
138.01868	9.2
140.03441	5.4
147.04419	4.2
150.01883	6.9
151.03912	4.0
152.03372	2.9
153.01852	8.7
154.01369	3.0
160.05194	4.5
161.05960	3.4
163.03914	11.1
165.01886	2.6
166.01395	9.1
166.99716	5.2
167.02106	7.5
168.02921	23.7
169.01353	5.7
171.77368	2.0
171.78848	2.2
178.01331	17.1
179.02127	4.8
180.02885	12.6
184.02316	2.0
185.05850	2.7
187.03886	82.3
188.03348	2.8
190.01399	2.8
190.04965	4.7
192.02966	10.0
196.02489	3.9
200.03384	2.2
202.01318	4.6
204.02963	4.2
205.03636	2.8
206.00912	3.2
206.04495	3.2
207.03040	3.0
212.03520	3.1
215.04541	2.5
216.02983	9.3
218.00870	2.3
219.75351	1.9
220.02423	5.4
229.05095	3.3
230.04410	5.3
231.02885	4.0
232.02568	2.7
239.03424	2.8
240.03067	4.3
241.04979	9.0
244.02548	10.6
246.00291	2.5
255.03001	6.5
256.05975	17.3
257.04489	6.6
258.04153	15.9
264.06409	2.1
267.03552	2.5
267.14972	2.4
268.02417	9.0
268.06219	2.9
269.04413	27.9
270.05222	17.9
271.05856	5.5
272.01923	3.8
274.08627	4.7
280.05942	5.5
282.07623	6.8
284.02487	2.6
284.05591	7.0
284.09067	5.9
285.06348	14.1
286.03653	3.2
286.07077	3.9
288.01392	7.2
296.05573	2.8
298.03488	4.5
302.07764	3.6
304.08148	4.8
306.02301	13.2
308.05469	2.4
309.06339	3.1
310.03619	3.4
310.07095	9.0
311.02869	2.7
312.01291	3.0
316.00925	9.3
317.02002	2.7
318.02402	6.8
323.07947	6.9
326.02985	3.6
330.02707	2.3
330.07874	3.7
333.20642	2.4
334.07059	4.0
336.01315	14.5
336.04950	4.5
348.08792	7.6
354.02441	22.9
358.07071	4.8
369.19916	3.0
372.03400	8.3
376.08276	11.0
378.06226	3.1
382.01993	2.8
386.06378	5.5
394.09195	25.6
398.06064	2.6
406.05438	4.6
412.08118	3.1
422.08569	4.5
426.05841	4.5
434.05658	3.9
435.05966	3.8
439.11130	6.6
440.07697	5.8
452.05908	6.6
454.05496	27.6
472.06458	29.5
490.07684	91.2
491.08548	3.6
495.12878	4.1
500.05948	3.7
516.09167	3.5
517.08606	17.2
518.07135	10.2
522.11707	3.8
530.12231	4.5
535.09808	100.0
536.10352	5.9
539.12085	17.7
548.13257	3.7
556.12360	41.7
557.12994	35.7
558.13159	26.1
576.12842	43.4
593.15552	4.8
594.13867	41.6
595.14813	3.9
604.12640	6.6
621.15015	29.5
622.13458	26.0
624.41418	2.4
639.15820	34.5
640.15155	7.9
657.16809	58.1
658.17206	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	657.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.2
53.03938	0.4
55.01869	0.2
55.95750	0.2
65.01937	0.2
65.03939	2.2
67.05486	0.8
68.99784	0.2
69.03422	0.9
69.72097	0.4
69.72483	0.3
70.06577	0.2
71.04989	0.2
79.05469	0.2
81.03413	2.2
82.04192	0.9
85.02911	2.1
91.05486	0.6
91.49242	0.2
93.03393	0.8
95.04971	1.4
97.02943	0.4
97.06530	0.9
99.04459	0.2
103.05431	0.3
103.69134	0.2
104.22808	0.2
108.02075	0.6
109.02847	0.8
110.03674	1.3
111.04424	0.6
117.73984	0.2
118.04141	1.7
119.04933	0.6
121.02880	0.4
123.00798	0.3
123.04390	0.6
125.02349	0.2
125.05985	0.8
127.03922	0.3
131.04910	1.0
136.01547	0.9
137.02335	0.2
138.03114	0.6
139.00217	0.3
140.04660	2.5
142.02608	0.5
152.01013	1.0
153.01823	0.8
153.05460	2.3
154.02585	0.8
155.07069	1.1
165.01828	0.2
166.99738	0.3
168.02872	0.3
169.01306	0.2
170.02055	0.3
171.06514	2.3
181.04947	51.7
182.02144	0.9
182.05254	1.2
197.04407	1.6
198.01579	0.7
199.06009	2.0
207.02988	0.2
226.06247	0.3
253.04938	1.6
254.05724	4.9
255.06229	0.3
257.04376	0.4
267.72110	0.2
269.04434	0.6
270.05096	0.4
271.05997	10.6
272.06433	0.7
281.04535	1.1
282.05228	4.8
283.05948	2.7
285.04010	0.7
286.04666	0.7
297.03809	0.2
299.05487	10.2
300.06265	14.0
301.06467	0.5
315.08600	100.0
316.08936	4.0
325.09195	3.2
343.10260	0.8
461.13345	0.4
657.19861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03416	0.3
62.62763	0.3
68.99784	3.2
70.40308	0.5
79.01829	0.8
83.21126	0.2
87.83263	0.3
103.05445	0.5
107.01271	0.7
107.04938	2.3
110.02411	0.4
115.05450	0.7
118.04153	0.4
119.04920	0.5
120.04436	0.5
121.02850	5.1
126.24299	0.3
130.06514	0.3
131.04922	2.3
132.04457	2.8
133.02780	0.3
134.05977	1.0
135.00761	0.3
135.04407	0.6
138.00847	0.3
138.01862	5.1
142.06487	0.5
143.04886	0.8
144.04410	1.0
145.02859	2.0
154.06534	0.4
155.04881	0.6
156.04393	2.4
158.06003	5.4
160.03903	0.5
162.05420	0.4
166.01357	4.2
170.06012	8.6
171.04420	0.6
171.06740	0.6
178.01271	0.7
182.05965	0.9
184.02434	0.3
184.03899	2.9
186.05492	7.9
198.05489	10.2
199.06190	0.9
203.05791	1.7
210.05502	1.1
212.03499	1.3
214.04967	1.0
225.05458	1.7
226.04964	9.2
227.05750	4.4
230.04420	2.1
238.04965	0.5
240.02951	0.7
242.04463	1.1
242.08067	0.4
254.04478	6.7
255.05208	5.1
256.05820	0.4
266.04651	0.5
270.03976	1.6
270.07489	1.0
272.05502	2.6
282.03940	35.0
283.04681	6.5
284.05478	0.7
300.04999	72.6
301.05444	3.5
302.05414	0.3
344.09052	0.8
345.09787	0.3
376.11591	0.3
386.10196	100.0
387.10724	10.5
465.95941	0.3
677.70844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27724	0.3
51.02372	0.9
53.03933	0.7
62.26637	0.3
65.03918	0.5
68.05024	0.7
68.97497	0.3
68.99785	1.4
70.06605	0.4
77.03918	1.0
79.05477	0.6
80.05026	0.7
81.02933	0.4
81.03414	1.1
86.83273	0.3
88.07610	0.4
91.05473	1.9
94.02912	0.4
95.01316	0.6
95.04960	2.8
96.04489	0.6
102.09177	0.5
103.05462	40.5
104.05841	0.8
105.03396	1.6
105.04507	1.4
105.07027	0.6
107.04964	1.2
108.04459	0.7
109.02862	2.3
110.02364	0.7
114.73082	0.3
115.05432	0.8
115.69102	0.3
115.75637	0.3
117.06987	0.4
120.04401	0.5
121.02856	1.0
121.06506	0.7
122.02425	0.4
123.04475	1.0
125.02299	0.4
131.04916	100.0
132.05222	2.5
133.02840	2.4
135.04408	1.3
136.03947	1.4
137.02356	0.4
138.01842	1.4
138.05522	0.7
139.03918	0.4
139.74174	0.4
140.03413	3.0
141.06955	0.4
144.02898	0.5
147.00783	0.8
148.03934	1.4
149.02327	1.1
150.05475	0.7
151.03894	2.2
152.03384	0.6
153.01785	0.7
155.03401	0.3
157.01151	0.4
161.02347	2.5
162.05499	0.4
164.03406	2.5
165.01846	0.9
166.01350	1.3
166.05016	0.6
167.02136	2.7
167.03334	0.6
167.08553	0.4
168.02913	19.3
169.01332	0.8
169.04918	0.5
173.05933	2.3
176.03418	1.4
177.01727	0.8
178.01300	2.5
178.04974	2.6
178.07811	0.4
178.17238	0.3
179.03430	2.4
180.02910	0.8
181.06429	0.5
182.04474	0.9
184.67264	0.4
185.03288	0.8
187.00238	0.6
188.03447	0.9
189.01848	1.1
190.01419	1.0
190.04970	0.8
191.03282	0.8
191.08557	1.2
192.02939	0.9
193.04939	2.8
194.00818	5.1
194.04482	3.0
195.02814	0.6
195.08015	0.8
196.02454	0.5
197.04445	0.6
199.03889	0.5
202.01375	0.7
203.03529	0.4
204.02893	4.0
205.01311	2.5
206.04451	3.7
207.08029	0.9
208.02409	0.5
208.05949	0.7
212.03510	0.4
214.01341	1.0
214.05051	0.7
214.07121	0.6
214.99687	0.7
215.06970	0.4
216.02942	2.0
218.04373	0.7
219.08083	1.2
220.02437	1.1
221.09442	0.4
222.03940	1.5
223.03508	0.7
225.05624	0.5
228.02954	0.6
230.00769	0.5
230.04408	1.2
232.02419	3.0
234.03940	3.9
235.07498	1.0
237.09079	0.9
240.02859	2.6
241.05099	0.4
244.02435	0.7
245.02032	0.7
247.07570	1.4
250.03276	0.5
253.08623	0.4
254.04433	0.4
256.02499	0.4
256.26331	1.0
258.03894	2.2
258.24554	0.4
260.01843	0.6
261.04926	0.5
262.03461	0.9
263.06998	2.5
264.07510	0.4
264.10129	0.5
265.08569	1.4
270.00186	0.5
270.07367	0.8
271.08347	1.6
272.09155	15.6
273.09494	0.5
275.07086	0.6
282.04156	0.7
282.07568	3.2
284.02032	0.6
286.03564	1.9
287.02817	0.7
288.01294	0.5
291.06366	1.8
292.04391	0.4
298.07056	3.6
302.03174	0.5
302.08228	0.4
305.03766	0.4
306.02072	0.5
308.01843	1.1
308.09125	4.1
310.03403	0.5
310.10696	5.3
314.03073	0.4
315.02350	0.5
319.05966	0.5
320.09082	0.5
326.02829	2.9
326.09796	0.4
328.04456	0.4
330.07700	0.5
333.07620	0.5
334.07123	0.6
336.08588	3.6
338.10229	1.5
340.08139	0.6
344.03946	0.8
344.09033	1.1
348.03485	1.5
348.07669	0.4
354.02530	0.6
362.10385	1.1
364.08066	1.2
368.11234	1.1
372.03424	1.4
372.07925	0.4
374.06384	1.2
384.08380	0.5
385.09253	0.4
386.10049	0.9
390.09631	1.0
391.09158	6.6
392.08127	0.4
396.10886	2.0
399.04474	0.6
400.08011	0.7
404.11441	0.4
408.10718	0.4
409.10165	2.0
412.08310	1.1
414.09702	1.1
416.07632	0.8
419.08636	3.8
422.12274	1.0
424.10306	1.7
429.11325	0.9
430.09052	3.8
432.10709	0.4
434.08646	0.8
442.08444	0.6
448.10178	1.0
451.11374	1.6
452.09732	4.0
457.10117	0.4
458.08600	1.2
460.10400	0.5
468.06995	0.5
469.12085	0.6
475.11465	2.0
476.09845	4.3
480.14319	0.5
490.10709	0.7
492.12842	1.1
493.12344	1.6
494.10971	1.1
503.10770	2.9
504.10248	0.5
508.12402	0.4
518.10602	1.8
520.13483	0.7
534.15204	2.3
535.13385	2.2
536.11829	14.0
537.11810	1.7
544.13538	0.6
553.14557	1.9
561.16266	1.1
562.14911	6.5
563.16003	0.4
579.09265	0.4
579.17719	6.0
580.16174	1.4
589.15796	1.1
590.14154	0.9
597.18530	3.8
604.15662	0.8
607.17072	4.4
608.16016	0.5
621.18500	1.1
622.17072	6.4
639.19604	1.6
640.18060	16.1
641.18195	1.5
657.20898	3.9
658.36169	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	657.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.5
65.33681	0.9
68.99800	1.4
69.09948	7.7
70.06597	1.2
77.03963	1.5
88.50224	1.2
89.72665	1.0
91.05484	3.4
93.03445	1.1
95.04967	3.7
98.23455	2.4
103.05461	34.8
105.03421	2.8
107.04941	1.1
109.02865	4.7
110.48919	1.1
115.05448	2.1
121.02858	1.5
121.06455	1.8
129.06985	1.8
130.74707	1.0
131.04916	100.0
132.05270	2.3
133.02866	2.7
135.04370	1.3
140.03452	3.2
143.03467	1.1
149.02397	2.0
151.03894	2.5
161.02400	2.5
164.03436	1.3
165.01833	1.3
166.01381	2.9
167.02162	2.5
168.02907	26.2
169.01341	1.7
173.06021	1.1
178.01279	1.5
178.04942	1.3
179.03400	4.8
185.03241	1.3
190.01421	1.4
191.03389	3.0
191.08586	2.0
192.02930	2.3
193.04944	2.5
194.00883	3.9
194.04562	3.1
197.04475	1.1
203.03386	2.4
203.07014	1.8
206.04541	3.0
208.02437	2.0
209.08095	1.4
217.12231	1.7
219.02930	1.3
219.08096	2.2
222.03929	1.2
223.07426	1.3
230.04401	1.6
234.03922	6.1
237.09085	1.2
238.05089	1.4
240.02798	1.8
247.07503	2.2
258.04013	2.4
263.07114	2.6
265.08475	1.5
270.07452	1.2
271.08334	1.3
272.09113	16.3
280.06027	3.9
282.07623	1.9
291.06598	2.4
293.08197	1.7
296.09232	2.4
298.07095	3.6
298.10556	1.8
301.21539	1.2
308.09073	1.8
310.10709	2.6
325.10611	2.0
326.03049	2.9
336.08878	1.5
338.10199	4.6
358.07211	2.5
362.10086	2.2
372.03738	1.6
384.12296	3.6
390.10049	2.0
400.15378	1.4
430.09222	3.7
458.08557	2.1
475.11511	1.4
476.09622	3.4
480.14371	3.3
492.12366	1.3
499.54501	1.3
503.10834	2.7
508.12708	1.1
518.10614	4.2
534.14819	3.3
535.13452	2.2
536.11823	29.2
537.12000	1.7
544.13422	1.3
562.14825	9.3
578.17578	1.8
579.17841	6.5
580.15814	4.8
590.14288	4.1
597.19263	2.6
604.15759	6.3
605.15912	1.4
607.16711	3.6
612.18329	3.3
613.21747	1.4
621.18268	4.4
622.17151	8.2
639.19421	4.1
640.18231	25.6
641.18243	2.2
657.20392	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	657.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
59.06578	0.6
59.45947	0.8
64.90617	0.6
65.03925	0.7
68.05037	0.8
70.66338	0.7
71.04981	1.0
77.03925	0.9
80.05012	0.7
81.03401	1.0
91.05483	1.6
91.48089	0.6
95.01304	0.7
95.04964	3.3
96.04467	1.2
103.05461	34.6
104.09155	0.6
105.03365	1.6
105.04476	1.4
105.07079	0.7
107.04961	0.8
108.04476	0.6
109.02880	4.4
115.16820	0.7
116.19459	0.6
121.02846	1.0
122.02399	0.6
123.04469	0.9
128.19907	0.6
131.04919	100.0
132.05254	2.7
133.02769	1.6
135.04408	1.2
136.03960	1.2
137.02353	2.0
138.01845	1.1
138.05579	0.7
140.03407	2.7
148.03876	0.8
149.06021	0.8
151.03888	1.9
161.02368	2.2
163.03807	0.6
164.03430	2.6
165.01828	1.4
166.01332	0.9
166.04962	1.1
167.02084	2.2
168.02914	21.8
169.05038	0.8
173.06026	1.2
176.03464	1.1
178.01373	1.8
178.04959	1.7
179.03413	2.7
180.02901	1.9
182.04446	0.9
184.06068	1.1
188.03323	0.8
189.01836	1.3
191.08531	1.3
192.02965	0.7
193.04951	1.0
194.00880	4.5
194.04440	1.6
194.54384	0.8
195.02887	1.3
195.08072	0.9
197.04459	1.2
199.02208	0.8
201.05441	1.3
202.05389	0.7
204.02931	2.0
205.01328	1.2
206.04472	5.3
207.08043	0.7
212.05516	1.6
214.99799	1.0
216.02951	2.1
218.00879	1.5
219.02760	0.8
219.08064	1.4
223.07423	0.7
232.02365	1.2
234.03958	8.1
235.07518	1.1
236.05597	0.8
240.02940	2.0
244.02344	1.0
247.02254	1.1
247.07542	1.7
248.01875	0.9
258.03961	1.8
262.03403	2.1
263.07004	1.4
265.08289	0.9
270.07819	0.7
271.08441	1.9
272.01846	1.0
272.09143	17.4
282.07657	1.8
286.03375	1.1
291.06400	0.9
298.07178	2.5
304.04501	1.1
308.09146	2.4
310.10712	6.7
315.53635	0.6
318.05872	0.8
322.06964	1.6
326.02963	2.7
334.11163	0.9
336.08673	2.0
338.10147	6.0
344.04095	1.1
351.08536	0.9
352.11826	1.5
362.10117	0.9
368.11157	1.9
369.09787	1.0
372.03372	2.2
376.07999	1.5
386.10547	0.8
390.09680	1.0
408.10660	4.3
412.08093	1.4
414.09781	0.8
422.12357	4.0
426.11780	1.1
430.09177	2.9
432.05511	1.1
440.13544	1.3
458.08398	1.1
475.11292	1.8
476.09839	2.8
492.13089	0.9
493.12424	1.8
503.10605	2.7
509.15402	1.7
510.13898	2.8
534.15393	2.4
535.13220	5.5
536.11896	12.7
553.14282	2.1
562.14789	6.7
579.17761	4.2
580.16388	2.2
589.15533	0.9
597.18420	2.8
607.16974	3.8
608.16553	0.8
622.16907	1.8
639.19849	4.2
640.07721	1.0
640.18146	20.3
641.18414	1.8
657.20740	13.8
658.20984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
55.01872	1.1
68.99776	0.7
70.06586	0.7
72.74216	0.6
80.05003	0.8
81.03413	1.2
85.18631	0.7
88.07632	1.0
91.05466	2.2
95.01326	1.2
95.04991	3.1
96.04520	1.0
103.05464	39.6
105.03394	1.4
105.04507	1.0
105.06983	0.7
107.04980	0.6
108.04483	0.9
109.02854	3.1
111.54386	0.7
115.05452	0.9
121.02854	0.8
123.04420	0.9
124.03989	0.8
128.06102	0.9
129.06995	1.0
131.04921	100.0
132.05251	1.5
133.02867	4.2
136.03871	1.0
138.01852	1.8
140.03403	4.3
141.07022	1.2
147.00751	2.4
147.04398	0.7
149.02306	2.4
151.03903	1.6
153.01825	0.8
153.06909	1.6
155.04892	0.8
157.01349	1.2
161.02382	3.5
164.03429	2.4
165.01840	2.2
166.01392	2.1
166.05014	1.0
167.02122	2.1
168.02907	27.7
169.01350	0.8
173.06046	1.2
176.03386	0.7
177.01820	1.1
178.01363	1.9
178.04918	1.4
179.03398	4.3
181.06412	1.0
187.00261	4.6
188.95314	0.6
189.01840	1.9
190.01353	1.0
190.04968	0.9
191.03397	2.9
191.08568	2.4
193.04953	3.6
194.00787	4.9
194.04507	5.0
195.02844	1.4
195.08075	1.1
199.02390	1.1
203.03337	1.8
204.02937	4.4
205.01340	7.2
206.04485	2.6
208.02437	2.0
210.08984	0.8
214.99686	3.4
215.06943	1.0
216.02934	2.4
217.06526	0.8
219.02838	0.9
219.07988	2.5
220.02374	1.0
221.04283	1.1
221.06233	0.8
222.04070	2.2
223.02237	1.0
223.07446	0.7
224.07191	1.3
225.05632	1.3
230.04524	1.6
232.02420	4.8
234.03931	4.0
235.07510	1.5
237.09241	0.9
240.02940	1.8
241.04782	0.9
244.02502	1.6
245.06006	0.8
247.02306	1.3
247.07614	2.3
254.04356	0.9
255.06375	1.1
256.26398	1.4
258.04004	3.6
263.07104	2.7
265.08643	1.6
268.31860	0.6
271.08377	1.6
272.09177	17.7
273.05499	1.0
273.09360	0.8
275.07156	1.2
276.04913	1.0
282.04230	1.4
282.07562	2.8
286.03406	2.6
291.06561	6.6
293.08145	1.0
296.01938	0.9
298.03937	0.9
298.07089	4.1
298.10730	2.9
308.01447	0.7
308.09247	3.9
310.03607	0.8
310.07156	0.8
310.10693	2.3
314.03015	0.7
319.05881	0.8
320.01706	1.0
325.10767	1.4
326.02997	2.8
328.04755	0.8
330.07629	0.8
334.07199	0.7
336.08597	2.6
338.10236	3.9
344.09103	1.0
351.08569	1.7
354.02411	1.4
358.06979	2.5
362.09927	0.9
364.07825	0.9
368.11252	6.8
370.05832	1.0
372.03513	1.8
388.08109	0.8
390.09671	2.2
391.09253	2.3
408.10736	1.2
412.08011	1.2
414.04498	1.2
414.09653	1.3
419.08737	1.6
424.08667	0.7
430.09079	2.5
432.05396	2.6
440.07620	1.3
450.11841	0.9
452.09641	1.5
458.08743	2.5
462.13293	1.9
472.10565	0.8
474.11731	1.3
475.10837	1.0
476.09622	2.8
480.14493	5.3
486.08231	1.2
490.10989	0.8
492.13193	1.1
503.10635	1.3
508.12286	1.1
516.13971	0.9
518.10504	5.8
520.14001	1.0
534.14508	3.1
535.13416	0.9
536.11859	37.5
537.11847	2.0
544.13715	1.9
562.14838	7.0
572.13031	1.8
578.17865	1.9
579.17480	4.9
580.16150	5.3
590.14337	2.8
594.17487	1.0
597.18744	2.2
598.17957	0.8
604.15936	7.8
607.16937	1.7
608.15332	2.5
612.18329	4.6
621.18549	1.1
622.17029	14.1
623.16473	1.5
639.19586	3.4
640.07666	1.4
640.18121	26.9
641.18439	1.8
657.20380	1.8
658.35596	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	657.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03928	0.8
54.22048	0.5
62.44172	0.6
68.05033	0.6
68.99786	1.0
69.33999	2.5
70.06582	1.5
71.04993	0.8
77.03936	1.1
81.03405	1.7
91.05476	1.5
95.01327	0.5
95.04974	2.4
96.04498	1.4
98.22655	1.0
103.05470	34.0
104.05772	0.9
105.04517	1.1
105.07071	0.8
107.04909	0.8
109.02883	3.7
110.06035	0.7
112.08665	0.5
120.04450	0.6
121.02879	1.7
122.02389	1.4
124.03922	0.8
126.05520	0.6
131.04932	100.0
132.05283	3.2
133.23389	0.5
136.03929	0.8
137.02344	2.0
138.05502	1.1
139.03947	0.6
140.03441	2.4
147.00745	0.9
150.05634	0.5
151.03943	1.6
152.03410	1.1
153.01736	0.5
153.05502	0.7
154.04991	2.1
164.03447	2.2
165.01881	2.2
166.01395	1.0
166.05064	0.6
167.02122	1.1
168.02919	19.8
168.04358	0.9
168.06581	0.7
169.01346	0.8
169.04942	0.9
170.08202	0.7
173.06081	1.0
176.03401	0.8
178.01404	2.2
178.04956	1.4
179.03383	1.8
180.02931	1.9
180.06601	0.5
182.04532	1.9
184.06099	1.8
187.03888	0.8
188.03426	1.0
189.01881	1.1
190.05048	0.9
192.02924	2.1
193.05093	0.6
194.00912	1.2
194.04541	0.6
196.02548	0.6
197.04420	1.2
201.05518	1.2
202.05006	0.5
204.02878	1.2
205.01512	0.6
206.04500	4.1
208.02400	0.5
212.05540	2.6
214.99699	0.5
215.07086	1.1
216.02733	1.1
218.00873	2.7
218.04514	0.9
220.05896	0.6
221.04532	0.7
230.00804	0.7
230.04622	1.1
232.02415	1.0
233.00848	0.8
234.03976	9.6
236.05588	1.8
244.02473	1.6
246.04143	0.7
247.02390	2.0
248.05586	1.0
254.00885	0.5
258.04047	1.0
258.61493	0.6
260.05359	0.5
262.03430	2.4
270.03790	0.6
271.08450	1.2
272.01953	1.2
272.09167	15.5
272.12076	0.9
273.09625	0.6
280.04681	1.0
282.03976	0.6
282.07608	0.8
282.11548	0.6
286.03397	0.8
288.01523	1.2
296.09207	0.9
298.07184	1.5
304.04535	0.9
310.10825	3.0
314.73685	0.6
315.08694	0.7
318.06708	0.6
322.07278	2.8
324.12283	0.8
326.02893	0.6
336.01434	0.9
337.01688	0.6
338.02673	0.7
338.10239	8.8
339.11075	0.7
351.08755	1.0
352.11874	3.0
354.02383	0.8
366.05936	1.1
366.10052	0.6
368.11411	1.8
369.09732	1.4
372.03741	0.8
376.08102	2.3
380.11203	0.6
390.09802	0.9
392.07581	0.8
408.10788	6.4
410.08887	1.0
422.12344	6.6
425.13239	0.7
426.11990	2.7
429.08240	0.6
430.08911	1.7
432.05649	0.9
440.13632	1.7
441.07825	1.1
442.08841	2.2
457.09976	0.7
458.08362	0.8
460.09464	0.9
476.08917	1.0
486.10358	1.1
487.10504	1.4
492.13126	0.7
496.14612	1.1
505.10608	0.6
509.15475	5.1
510.14133	5.7
517.12183	1.1
521.11310	1.0
523.12280	0.8
527.16479	0.7
534.14709	3.3
535.13373	8.8
536.11780	6.0
551.16705	0.7
553.14856	1.4
562.14221	4.0
578.16595	0.7
579.16705	3.1
580.15442	1.8
607.16241	2.1
622.17175	1.8
625.17194	0.7
639.19745	8.9
640.18152	18.7
641.18652	1.4
657.20776	20.8
658.20978	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	657.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33565	1.0
53.03945	2.0
54.32314	0.9
55.92411	1.0
57.15819	1.1
60.05646	1.5
61.00282	0.9
65.03946	1.0
68.99789	3.5
69.95202	2.0
69.95535	2.5
70.06592	3.5
72.85273	0.9
77.03238	1.0
78.00236	1.0
79.05471	1.6
83.01351	1.0
91.05469	5.4
95.04987	4.9
103.04767	1.5
103.05464	24.4
104.05788	1.2
105.03381	1.3
105.04497	1.6
105.07063	1.8
108.14002	1.4
109.02890	1.5
115.05452	15.2
121.02877	3.3
121.06492	3.1
122.02374	1.1
123.04417	3.4
129.06996	2.1
131.04922	100.0
132.05244	3.0
133.02856	1.5
134.02335	1.8
135.04398	1.8
137.02335	1.8
138.01762	2.3
139.00253	1.3
142.06519	7.9
151.03871	7.3
153.05492	2.1
155.04944	2.5
156.08060	2.0
157.06473	1.9
165.01846	1.4
165.05547	1.7
165.07011	1.5
166.01373	3.3
166.05008	1.9
167.02092	5.6
167.08548	1.1
168.02969	5.3
169.05128	1.1
170.05992	7.9
173.05951	1.1
179.03371	1.8
179.08629	1.6
181.85962	1.1
182.06029	1.7
184.07565	2.4
185.03203	2.4
186.09145	1.3
189.07043	1.5
190.01453	1.1
191.08678	1.5
192.02953	3.2
196.07704	1.3
199.03868	5.7
200.03503	1.7
204.02757	1.2
206.04596	1.4
210.05585	1.6
212.07025	12.1
216.08614	1.6
217.06520	3.3
218.00891	6.2
219.07968	2.1
224.07098	3.8
225.05490	2.5
230.08034	2.1
231.06572	1.4
234.09145	1.8
235.07512	2.4
238.04968	8.6
241.04950	11.6
242.08105	1.9
242.54410	1.2
245.06229	1.1
246.09102	1.7
247.07481	1.6
248.07547	1.2
252.02902	1.7
252.06572	4.0
254.08092	3.4
255.06543	1.9
256.05988	9.4
258.04291	1.2
262.08789	1.4
263.07065	2.0
264.06885	1.3
266.08167	1.3
269.08234	2.0
270.03964	2.3
270.07773	2.3
270.49390	1.1
271.08347	2.0
272.06616	1.5
272.09164	3.8
273.05411	2.0
274.08566	2.8
275.06870	1.6
276.10126	1.2
277.08615	3.2
278.08151	1.3
280.02509	5.1
280.06006	46.9
281.06116	1.4
285.07590	2.0
290.08154	4.1
296.09259	2.0
297.02731	3.6
298.03354	4.8
298.06998	2.6
298.10675	2.4
301.04767	1.4
302.08060	1.9
304.06055	1.6
308.01855	3.5
308.09152	1.4
310.03604	2.3
312.05151	2.6
316.04507	1.8
318.02420	1.6
318.07770	1.3
322.07007	7.7
326.02814	4.2
330.02466	1.4
330.07346	1.1
333.07315	1.5
335.02884	1.1
336.01398	4.9
336.08685	1.4
338.03049	2.9
338.10135	1.3
340.04541	2.1
345.11108	3.6
350.06241	1.5
353.04028	5.9
354.02417	3.9
354.09726	2.7
355.07983	2.3
356.04391	1.8
356.09067	1.9
368.03836	1.8
376.07971	1.4
380.07666	1.4
384.12305	63.6
385.12708	3.3
402.09766	4.3
412.08066	3.8
414.09717	1.3
416.11514	1.7
426.13425	6.0
429.08322	5.2
430.09085	5.2
439.09274	5.9
440.07666	9.9
442.09305	1.7
444.10880	10.7
448.09805	1.9
452.11267	6.3
457.10297	9.1
458.08685	5.6
462.12079	2.4
470.12177	2.6
472.10156	1.9
473.12994	1.3
485.09775	2.2
486.08228	4.2
488.15036	1.3
500.09564	8.7
503.10635	1.6
504.09171	1.7
516.14014	3.7
522.13464	1.6
524.13269	4.3
525.14148	5.3
526.14923	16.6
533.15582	1.8
534.14844	2.9
536.11951	1.4
538.15100	5.1
539.15692	13.1
540.16467	1.6
543.15619	2.0
544.13940	3.4
546.16022	1.4
548.17218	5.8
552.15228	2.0
553.15210	4.1
561.16602	6.8
562.14874	5.5
572.13049	2.1
576.16028	1.5
579.17139	2.0
589.16028	13.2
590.14600	16.7
593.18622	2.5
604.15973	75.6
605.16187	3.8
607.17084	22.7
608.15588	16.4
621.18597	45.2
622.17450	10.2
625.18073	5.1
639.19434	11.4
640.18060	19.7
657.20850	16.6
658.18988	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	657.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
55.01859	0.4
56.81138	0.4
60.35336	0.4
65.03928	0.4
68.99786	1.6
70.06586	0.8
70.38646	0.3
71.43027	0.4
71.43397	0.5
77.03918	0.6
79.01822	0.4
82.02899	0.4
83.01319	0.8
84.04470	0.4
91.05484	1.0
93.03358	0.4
95.01332	0.6
95.04970	2.8
99.75590	0.4
103.05468	35.2
104.05809	1.1
105.04498	1.0
107.04943	0.7
109.02879	0.8
111.04385	0.4
112.08727	0.5
114.05546	0.8
118.02865	0.4
120.00894	0.4
121.02852	1.2
122.02398	0.4
131.04926	100.0
131.82951	0.4
132.05266	4.0
136.03917	0.5
137.02454	0.4
138.01874	0.9
138.05502	0.5
139.03909	0.7
140.03441	1.6
147.00772	0.7
147.04376	0.9
148.03929	0.5
149.02318	1.6
149.03419	0.7
151.03912	0.8
153.01881	0.6
164.03418	1.6
165.01845	1.5
166.01341	0.6
166.05028	1.1
167.02106	0.8
168.02899	6.0
169.01381	0.5
171.04420	0.6
173.05986	3.2
174.01904	0.5
177.03056	0.8
178.01317	2.3
178.04953	0.6
179.03345	0.5
180.02959	0.6
181.01292	1.6
185.03152	0.5
188.03430	0.8
189.01907	0.5
190.01370	1.1
192.02881	0.9
194.00891	1.8
194.04539	0.6
199.02361	2.1
199.03999	0.5
200.02675	0.5
202.01405	1.1
204.02950	3.4
205.01277	0.8
206.04480	1.9
207.02853	0.5
208.02342	0.8
212.05399	0.5
214.01346	1.6
216.02931	1.1
218.00894	0.4
219.04279	0.8
220.02446	1.6
223.03627	0.9
230.00903	0.8
232.02473	3.0
234.03976	1.3
238.03523	0.4
238.07045	0.6
240.03020	0.4
241.04866	0.6
242.14862	0.4
243.04178	0.4
244.02509	1.3
245.02008	0.8
248.01875	0.5
250.03488	0.6
253.08722	0.5
260.01923	0.9
262.03519	0.9
268.02399	0.7
268.85809	0.4
269.01950	0.5
270.00418	0.9
270.03787	0.6
270.07532	0.6
271.08386	0.6
272.02069	1.0
272.09183	5.8
274.03555	0.6
280.04318	1.8
282.07617	3.9
285.07593	1.0
286.03476	1.5
286.08032	0.9
287.03027	1.9
288.01486	0.8
292.04645	0.7
298.03830	0.6
298.06958	2.1
305.04065	0.5
308.09128	3.6
312.01532	1.1
314.03024	0.6
315.02475	1.0
318.07550	0.8
320.03998	0.6
322.06909	0.8
334.07083	1.7
336.08694	3.8
337.01752	0.4
338.10281	1.1
348.03604	1.9
348.08447	0.7
354.09686	0.5
362.10187	0.8
364.08093	2.4
366.09760	0.7
367.10208	0.8
368.11462	0.5
374.06586	1.9
376.08051	0.7
390.05182	0.5
390.09790	1.8
391.09195	13.3
392.09128	0.6
396.10855	3.5
397.11520	0.5
400.08041	0.7
408.10864	1.2
409.10355	4.1
410.08847	0.5
416.07474	1.1
419.08649	8.7
420.08936	0.7
422.12057	0.7
424.10211	2.6
433.10410	0.6
437.09671	0.8
451.11316	3.1
452.09708	9.3
458.08234	0.5
460.10480	0.7
469.12405	1.2
470.09778	0.4
476.09296	0.8
492.12747	0.8
493.12695	0.7
494.10840	0.8
518.10876	4.2
535.13190	1.6
536.11725	3.5
538.12213	0.8
553.14630	0.6
555.56854	0.4
562.14685	2.2
580.16052	0.6
589.16058	0.8
590.14392	0.9
604.13763	0.7
607.16522	1.3
608.15582	0.6
621.16022	0.5
622.17029	8.3
625.16431	0.5
639.19922	2.9
640.18213	3.5
657.20667	3.2
657.43512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93742	1.1
55.01859	2.8
55.05522	2.0
55.47362	1.1
56.05029	3.3
57.03436	1.5
58.99582	2.2
60.28307	1.2
61.01154	2.5
65.03941	1.6
67.05510	4.4
69.03423	10.0
69.18974	1.1
70.02934	1.5
71.01335	1.2
71.86127	1.2
73.01148	2.1
74.00659	2.8
76.02228	1.3
79.05483	4.1
80.05008	3.0
81.03404	6.7
81.07064	3.1
82.06564	1.8
83.04990	2.8
84.04500	28.4
85.02901	2.5
88.02219	6.1
88.03996	19.2
91.05492	5.9
93.07036	4.7
94.35703	1.2
95.04964	5.1
95.08591	2.3
96.04470	1.2
97.02886	2.0
97.06552	2.0
98.06036	1.6
100.02191	1.5
105.07008	6.4
106.06714	1.4
107.04960	3.6
107.08600	4.4
108.04458	2.5
109.06496	2.9
110.06031	2.8
111.04453	3.6
112.02190	2.7
112.07621	1.4
114.00265	1.4
114.03703	1.8
115.02168	3.2
115.05465	2.0
116.01687	7.4
117.07015	3.9
119.04931	3.1
119.08569	10.1
121.02850	16.9
121.06517	2.8
125.07123	5.5
126.05511	1.9
128.06198	1.5
129.06995	4.8
130.05003	12.9
131.08551	7.4
132.01303	1.5
132.35870	1.3
133.06496	3.2
133.10117	5.5
134.02724	2.0
135.08022	1.5
136.07547	1.3
137.05975	1.9
140.05377	1.2
141.03835	1.5
141.07001	3.3
142.03313	1.6
142.05058	1.2
142.07794	4.1
143.08563	7.9
145.06456	4.3
145.10129	6.9
147.04390	3.0
147.08022	4.1
147.11740	1.3
153.06827	1.6
154.05002	4.5
155.08540	4.8
156.06567	3.7
156.09372	3.0
157.10091	8.9
158.02715	1.8
158.07359	1.7
159.08026	3.1
159.11705	5.1
161.09651	4.1
162.02196	2.3
163.11191	2.4
165.06943	2.3
166.07874	1.6
167.08594	4.5
168.09367	3.5
169.10173	4.4
171.07654	21.5
171.11624	3.9
173.05959	1.4
173.09607	5.9
173.13275	5.1
175.04062	1.3
175.11252	2.4
179.08565	3.8
180.09302	1.2
181.10088	4.3
182.10922	1.4
183.11636	8.1
185.09642	2.9
187.04189	1.8
187.11154	6.1
188.03746	1.9
189.07381	1.7
192.06653	2.2
192.09352	1.4
193.10170	1.6
194.10806	1.9
195.11739	3.0
197.13257	1.4
199.11179	3.6
200.03911	1.4
200.05615	3.5
201.12782	2.6
206.08142	2.1
206.10803	1.7
207.11732	3.4
209.13271	2.8
211.11156	4.2
217.08234	18.7
217.10208	2.5
221.13312	1.6
227.14462	1.4
229.12115	2.1
237.12704	2.0
255.06458	2.6
255.13750	5.3
259.02267	2.4
267.10049	6.5
271.06152	2.3
273.14813	13.8
283.09299	1.3
285.03714	1.9
287.01883	7.8
287.05191	1.6
313.10712	1.6
343.13898	1.4
356.50812	1.2
361.12845	3.0
386.17618	2.0
390.31424	1.4
404.18619	1.5
405.00684	1.8
405.06012	34.3
406.06400	3.4
414.17331	5.1
415.16217	1.4
419.07584	6.4
432.18311	20.3
445.05835	1.7
450.19397	10.6
481.17990	3.4
507.19574	2.4
515.22058	2.4
517.23529	3.4
525.20306	4.3
543.21588	21.4
561.22626	100.0
562.22345	4.9
567.12463	1.5
579.23700	14.8
639.14301	3.5
657.15948	7.4
658.16248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3662
Annotation	Wikstroelide B
Peak:m/z	Relative Intensity
58.23205	0.3
69.93768	0.5
69.94104	0.5
70.06594	1.3
75.21607	0.3
81.03416	0.7
83.95078	0.3
84.08148	0.5
85.02892	0.8
86.09688	0.4
87.00761	0.3
91.05474	0.6
97.02888	1.3
100.82633	0.3
109.02849	0.5
121.02866	1.1
127.03919	0.7
145.06418	0.3
147.04375	0.6
157.04227	0.5
167.07019	1.6
168.07396	0.7
211.06015	0.4
213.05443	0.4
255.06319	0.3
328.85471	0.3
383.15024	0.6
405.06189	0.8
538.25262	0.3
657.36597	100.0
658.26813	0.4
658.36963	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	658.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	2.4
62.92910	2.0
68.99799	3.6
70.06594	11.0
70.16344	3.2
71.08649	2.0
71.17932	1.6
84.08168	1.8
88.07603	12.8
90.46888	1.9
91.05481	7.2
95.04936	3.3
95.68504	1.6
102.09173	10.0
103.05461	28.5
105.03371	9.5
115.05413	1.9
117.07010	3.1
121.02878	2.6
121.06482	1.7
129.07022	1.8
131.04921	68.7
131.05908	3.8
138.01846	9.8
139.05447	2.1
149.02328	24.8
150.01808	2.4
154.01270	2.2
155.04910	4.6
166.01346	14.8
167.02037	4.2
167.04909	2.8
168.02927	6.7
170.05991	2.3
178.01364	13.2
184.02324	2.8
184.07611	5.5
192.02983	6.5
193.04948	24.3
195.04420	2.6
196.02419	4.5
196.07578	2.7
212.07062	4.9
213.05496	2.7
223.03954	3.8
225.05495	8.3
231.06483	2.0
236.07068	2.8
237.07541	4.3
238.05014	2.5
241.04900	14.2
242.08083	2.7
252.06514	4.3
253.05164	2.1
254.04449	2.7
256.26337	27.6
260.01715	2.9
264.01419	2.7
266.04501	5.8
268.00943	3.7
270.07611	11.3
272.09192	4.3
280.06076	5.4
282.07590	8.4
284.05545	2.6
288.01236	4.5
292.05920	3.7
293.06564	7.6
294.07547	5.3
297.03986	2.3
304.05951	12.2
306.02417	8.3
319.55234	2.2
322.07065	10.1
341.06543	5.1
345.11121	5.6
357.11270	2.5
358.10724	4.0
359.07422	4.0
360.04874	2.4
364.07642	2.6
372.04965	6.6
384.08398	3.3
385.09027	10.4
390.05899	2.7
392.07687	5.3
400.04285	3.7
402.09943	3.5
408.12219	4.0
410.08981	2.2
418.05438	6.3
420.06970	2.6
426.13269	31.1
429.11777	17.3
454.12906	4.8
476.11240	6.5
496.08279	17.4
496.14215	2.3
504.10977	11.7
522.11914	17.9
524.13477	6.7
540.12659	3.5
554.14136	5.7
580.17267	10.1
608.17285	10.3
626.18140	51.4
627.18292	3.7
637.65356	2.3
658.20282	100.0
658.35437	60.5
659.20508	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	658.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.4
53.03940	0.4
55.14062	0.3
57.78315	0.3
65.03933	3.6
67.05500	1.3
69.03420	1.3
70.06576	0.5
71.42278	0.4
77.03916	0.5
78.03440	1.2
81.03413	4.3
82.04194	1.3
85.02906	4.0
91.05495	0.3
93.03407	0.9
95.04943	2.2
96.04485	76.9
97.02877	1.1
97.04847	0.9
97.06521	1.4
99.04462	0.4
101.11773	0.3
103.05472	0.6
107.39213	0.3
108.02093	0.8
109.02882	1.3
110.03660	2.0
111.04458	0.8
121.06440	0.4
123.00748	0.3
123.04435	0.9
125.06001	1.2
127.03917	0.6
136.07559	0.9
138.03091	1.7
140.04683	4.7
142.02586	1.1
146.92978	0.3
147.04448	0.3
151.03923	0.4
153.05441	3.8
154.08615	38.4
155.07047	2.7
155.08926	0.8
167.07028	0.8
171.06532	4.4
177.05472	0.6
181.04939	100.0
182.05312	1.8
199.06006	4.3
209.08047	0.4
221.04483	0.5
222.49715	0.3
267.06610	0.4
271.79236	0.4
285.26517	0.4
293.08069	0.4
316.13821	1.7
325.09143	4.0
343.10162	3.7
348.55029	0.4
358.12668	0.6
383.14999	1.6
385.16281	0.4
516.31714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03422	0.8
57.99244	0.8
66.88151	0.8
69.03423	3.2
70.06583	1.0
79.05491	3.1
83.59618	0.8
85.02906	7.2
86.03529	0.8
86.06050	1.1
91.05467	3.0
93.07016	0.9
95.04945	1.2
96.00874	0.9
97.02885	2.6
98.23502	2.0
103.05444	1.2
105.07021	1.1
107.04949	7.3
109.02896	1.4
115.05496	0.9
124.05220	1.9
125.05939	0.9
127.03916	1.4
127.07448	4.6
128.08168	6.4
129.06972	2.3
131.04869	1.2
131.08540	2.4
135.08286	0.8
137.06010	1.3
141.06973	2.8
144.05699	2.5
145.04999	0.8
151.03874	1.7
156.05693	3.9
157.06387	2.0
158.07237	1.0
159.08038	6.9
161.06001	1.1
162.07631	1.7
163.03906	1.9
163.07559	1.5
165.05516	0.8
165.96039	0.8
167.07021	17.8
169.06427	1.7
169.07703	1.4
170.07236	1.0
171.07985	0.9
174.06825	1.1
175.07446	0.9
177.05446	1.8
179.54623	0.8
180.08684	0.9
181.04924	2.1
186.06746	2.2
187.07553	4.5
191.06932	1.0
200.08270	1.3
201.07387	0.8
201.09097	2.7
202.06201	2.6
202.07858	1.4
203.08548	1.5
204.07784	0.8
205.04881	0.9
205.08478	4.0
208.05264	1.2
208.08871	2.1
209.09541	0.8
211.07697	0.9
215.08665	1.0
217.08566	11.3
217.10423	0.8
218.07225	1.6
219.08023	5.3
219.10208	2.2
220.08791	2.4
229.06630	0.9
229.08583	5.2
231.08014	3.2
231.10129	1.1
232.08875	1.5
233.09657	3.2
234.06810	1.2
235.07503	1.7
235.11218	1.3
236.08250	1.5
244.08916	1.0
245.09570	1.7
247.07466	8.2
247.09698	6.9
248.08289	7.3
249.05553	1.0
249.09071	2.1
250.06137	1.4
251.06850	0.9
251.10599	2.3
254.05728	1.2
259.07553	1.7
260.08307	1.4
261.09048	3.6
262.09857	2.8
263.07001	2.4
263.10657	6.5
264.07846	5.0
265.08569	3.2
269.07990	1.5
271.09564	2.6
273.09140	1.4
274.06522	0.8
275.07001	3.1
276.07816	3.8
277.05109	1.0
277.08514	3.4
278.05872	0.9
278.09131	0.9
279.07394	1.2
279.10077	5.6
280.10852	1.3
281.08182	1.7
282.08881	1.3
289.08441	1.0
290.09363	3.3
291.10104	7.3
292.07333	2.4
293.08109	6.6
294.08643	0.8
295.09564	1.0
296.10410	1.9
304.07321	1.0
305.07986	2.5
305.11691	2.1
307.09219	6.7
308.10281	4.9
311.12811	1.4
315.08588	5.6
318.08716	1.7
319.09698	4.3
320.10675	0.9
321.07507	3.3
321.11075	1.3
322.08334	1.6
322.11972	1.5
323.09280	1.1
323.12680	5.1
325.10605	1.3
330.10892	7.9
331.11667	1.9
335.09143	1.3
336.09879	3.1
337.10654	5.6
338.07645	1.2
339.12286	4.2
343.11697	1.4
350.11462	2.0
351.12262	9.6
352.12875	1.8
353.10071	7.1
356.12518	1.5
368.12497	10.1
371.14728	6.7
383.14871	100.0
384.15262	4.5
401.15918	34.3
402.16165	1.6
428.49561	0.9
443.16769	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	658.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.8
51.02374	1.5
53.03939	1.8
55.05499	0.7
56.28715	0.3
59.81199	0.3
67.05492	1.0
69.07045	0.7
69.35883	1.7
73.02921	0.7
77.03922	2.4
78.03445	3.6
79.05487	2.8
80.05016	1.4
81.03435	0.3
81.07047	1.7
83.04984	0.9
87.04459	0.9
89.06023	2.2
91.05466	3.6
93.07024	2.3
95.04960	11.3
95.08595	1.5
96.04473	1.9
103.05469	0.8
105.03381	100.0
105.04519	4.3
105.07018	14.9
105.07735	0.7
106.02914	12.7
106.03678	1.3
106.07357	2.0
107.07860	0.4
107.08577	2.7
107.62928	0.4
109.06509	1.5
109.10167	0.6
109.47530	0.3
113.00001	1.1
114.03722	0.6
115.05457	0.4
117.07026	1.2
119.04932	0.5
119.06173	0.4
119.08571	6.9
119.80230	0.3
121.06532	1.6
121.10133	1.1
123.04418	2.1
123.08065	0.6
124.03940	35.0
125.05923	0.4
128.06221	1.3
129.07010	1.5
131.08554	2.1
133.06522	0.4
133.08582	1.0
133.10120	3.2
135.08035	0.7
135.11688	0.5
137.02333	0.7
137.05940	0.5
137.09596	0.5
139.01535	3.4
141.06990	1.0
142.07765	1.6
143.08560	3.9
144.09335	0.5
145.06496	0.6
145.10089	4.8
147.08035	1.7
147.11653	7.4
148.08681	0.4
149.09633	0.7
151.07518	0.5
153.02986	0.4
153.06958	0.4
154.07784	0.7
155.08525	2.3
156.09396	1.2
157.10089	4.0
158.06331	0.4
158.10905	1.7
159.08075	0.5
159.11678	2.5
161.09618	3.7
161.13239	2.1
163.11136	0.4
165.06987	0.8
167.08560	1.2
168.09354	0.4
169.10126	3.4
170.10869	1.1
171.08066	0.6
171.11641	3.0
172.12431	1.9
173.09593	0.7
173.13272	1.2
175.07533	0.6
175.11111	0.9
175.14818	0.4
176.11922	2.8
176.15587	1.3
177.09053	1.1
177.94495	0.3
179.08545	1.1
181.10132	1.5
182.10934	0.8
183.04243	0.5
183.11644	2.4
184.07359	0.7
185.09644	0.5
185.13210	1.5
185.25533	0.3
187.07664	0.7
187.11200	0.7
187.14706	0.5
192.09372	0.7
193.10106	2.0
194.10822	0.8
194.53755	0.3
195.10152	0.5
195.11646	1.6
196.12439	0.8
197.09648	0.8
197.13205	2.1
198.14017	0.4
199.11192	0.5
201.09088	0.9
203.07005	1.0
203.10733	0.5
203.14215	1.6
205.08582	5.8
206.10954	0.6
207.11726	1.5
208.12486	0.4
209.09456	0.4
209.13232	2.6
210.14214	0.5
211.11180	0.8
211.14798	1.3
213.09096	0.7
215.10716	1.3
220.12462	0.8
221.13249	1.4
223.14813	1.0
225.12720	1.1
225.16365	1.2
226.13243	0.4
227.10559	0.6
229.12267	0.4
234.13972	0.9
235.14946	1.6
236.15527	0.8
239.10632	0.7
241.12308	1.0
249.16339	1.7
251.17950	1.0
253.12207	1.0
253.15840	1.4
255.13686	0.7
267.13898	0.4
267.17386	1.8
268.13254	3.0
269.15466	0.6
269.18860	0.4
271.16876	3.4
292.67014	0.4
295.16910	9.7
313.17999	7.3
405.18045	0.3
418.19919	0.8
436.21182	3.7
640.29059	3.4
641.29083	0.6
658.29895	6.0
674.64056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.8
51.02373	2.9
52.45059	0.5
53.03935	1.5
55.01853	0.9
55.05502	2.5
57.07077	0.6
65.03943	0.7
67.05500	3.3
69.03424	1.0
69.07050	2.3
75.94102	0.7
77.03923	1.7
78.03445	16.7
79.05479	4.8
80.05015	0.7
81.03388	1.7
81.07050	5.6
81.45305	0.5
83.04955	1.1
83.08598	0.7
85.02879	0.8
85.06518	0.8
89.06014	2.0
89.80508	0.5
91.05468	10.7
93.06457	0.7
93.07034	8.5
95.04962	11.6
95.08593	5.2
96.04488	5.2
98.23539	1.1
103.05454	1.3
105.03384	60.9
105.04404	4.3
105.07017	17.1
106.02905	100.0
107.03254	1.1
107.04922	0.6
107.08578	8.8
109.02879	1.0
109.06506	4.4
109.10166	1.7
111.04441	0.9
115.05440	2.1
115.80720	0.6
116.06241	0.7
117.07003	3.6
119.04921	1.2
119.06010	0.7
119.08566	21.9
119.09423	1.1
121.06488	1.6
121.10126	4.8
123.08052	2.3
124.03939	65.0
125.04243	0.7
128.06174	3.2
129.07007	3.9
130.07780	0.8
131.08568	5.1
133.06479	1.5
133.10109	7.8
135.08061	2.8
135.11664	1.0
137.02324	2.7
137.05923	0.8
137.09583	1.0
141.07008	2.4
142.07765	4.5
143.08551	10.3
144.09363	1.1
145.06496	1.1
145.10101	7.5
147.08058	2.8
147.11668	26.2
148.12340	0.6
149.09543	0.7
151.07552	1.8
153.06953	1.4
154.07735	1.3
155.08533	5.7
156.09349	5.4
157.10109	12.7
158.10887	7.5
159.07965	0.6
159.11696	6.3
161.09599	8.2
161.13222	6.5
163.07561	1.3
163.11156	1.0
165.05608	0.7
165.06987	2.5
166.07768	1.1
167.08580	3.5
168.09352	2.5
169.10118	8.1
170.10849	2.8
171.08011	1.2
171.11679	6.2
172.12471	7.3
173.09534	1.1
173.13258	3.4
175.07484	0.9
175.11176	2.3
176.11935	6.6
176.15602	3.4
178.08638	23.8
179.08498	3.2
180.09314	2.4
181.10098	4.7
182.10916	1.9
183.08052	1.3
183.11644	7.8
184.12321	0.9
185.09613	1.2
185.13205	4.2
187.07530	1.2
187.11165	3.0
187.14784	1.5
188.11961	0.6
189.09142	1.5
189.12709	0.8
192.09358	2.3
193.10115	3.8
194.10855	2.7
195.11684	5.5
196.12469	1.9
197.09601	1.8
197.13213	4.5
198.13954	0.9
199.11107	1.0
199.14738	0.7
201.09079	1.6
203.10695	1.1
203.14293	5.2
205.10217	0.8
206.08104	7.7
206.10867	1.9
207.11642	6.7
208.12366	1.4
209.13220	5.1
210.14053	1.8
211.11224	2.2
211.14792	3.8
213.09048	1.8
215.10646	2.8
215.14227	0.9
219.11702	1.9
220.12404	1.6
221.13222	5.9
222.13928	1.7
223.11177	1.1
223.14690	2.7
224.09142	49.4
225.09215	1.3
225.12738	1.5
225.16341	2.5
227.10680	1.8
227.17982	0.8
227.20020	2.4
229.12282	1.3
229.27280	0.7
234.14008	2.2
235.14845	3.5
236.15547	2.4
237.12636	1.3
237.16319	0.7
239.10652	2.7
239.14270	0.9
239.17897	1.2
241.12201	2.5
243.13861	0.7
249.16376	4.9
251.14476	0.6
251.17862	3.0
253.12225	3.0
253.15871	4.7
255.13857	1.5
262.13605	0.7
267.13901	5.1
267.17053	3.6
269.15347	1.3
271.16901	11.4
277.15948	1.1
285.18478	1.1
295.16898	27.7
296.17346	1.2
313.17950	20.7
314.18280	1.3
518.25134	1.3
536.26208	3.6
640.28973	8.6
641.29138	0.6
658.29767	4.8
659.29517	0.6
675.53925	0.6
683.80566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	1.6
63.29316	0.6
74.79429	0.7
77.03923	1.5
79.05490	5.8
87.04463	10.3
87.04963	1.3
89.06022	5.7
90.82655	0.8
91.05472	0.8
93.06998	1.0
95.04951	2.5
101.00421	0.7
103.03929	22.5
103.05424	4.0
105.07020	100.0
106.07324	1.3
107.08568	0.8
109.06505	1.2
119.08604	1.1
121.06513	7.0
131.07040	3.0
131.08554	1.0
133.08598	3.7
135.08031	5.0
147.06482	1.9
147.08052	0.8
149.09583	1.2
159.08075	0.8
163.93723	0.8
165.09109	2.3
177.09145	2.1
177.11229	1.1
179.10680	1.1
191.09103	1.3
197.11670	7.0
207.12292	0.7
209.13310	2.2
225.12680	1.2
227.12845	1.7
235.11742	2.7
244.65114	0.7
251.14337	1.7
265.14273	6.0
283.15417	3.7
313.18027	1.1
327.17282	1.3
329.15906	32.2
330.16211	1.2
373.21304	0.9
387.21603	1.4
433.22189	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	658.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79713	0.4
57.07063	1.3
59.01692	0.5
59.04996	1.0
63.60180	0.5
71.08631	0.8
77.03878	0.6
77.06039	0.6
79.05474	5.1
85.10153	0.6
87.01804	0.5
87.03970	0.7
87.04462	8.2
89.06019	7.4
91.05475	2.1
93.07041	1.6
95.04937	3.0
103.03940	18.1
103.05435	4.2
105.07019	100.0
106.07325	1.2
106.55549	0.5
109.06499	1.1
112.91035	0.5
119.08554	0.8
119.62134	0.5
121.06497	7.3
129.06963	0.5
131.07051	2.6
133.08582	3.5
135.08055	4.1
147.06483	1.5
147.08041	0.9
149.09651	2.2
161.09650	0.5
163.09631	0.6
165.09085	2.7
173.07333	0.5
177.09093	1.0
177.11209	1.3
177.83932	0.4
179.10683	1.2
191.09105	1.2
197.11710	5.9
207.12254	0.5
209.11584	0.9
209.13237	2.0
224.24789	0.5
225.12724	0.9
227.12779	0.9
228.42957	0.5
235.11749	1.9
251.14272	2.4
264.95700	0.5
265.14297	3.8
269.15198	0.6
281.15314	0.9
283.15317	4.2
301.16840	0.7
329.15894	28.1
330.16266	1.1
347.17249	0.6
376.93741	0.6
387.22018	0.7
428.24121	0.5
433.22159	8.3
451.23291	0.9
489.13361	0.5
493.42920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03940	0.3
54.04327	0.2
55.05510	0.3
56.74665	0.3
57.07062	0.5
59.05000	21.4
73.02942	0.3
73.06541	0.4
77.03926	0.5
77.46844	0.3
79.05492	5.2
81.07060	0.5
83.04939	0.3
87.04462	1.9
89.06026	3.9
91.05482	2.1
93.07062	1.8
95.04961	3.7
95.08582	0.5
98.22688	0.6
103.05468	3.9
103.07576	23.3
104.07903	0.6
105.04597	1.3
105.07024	100.0
106.07360	2.5
107.08594	1.0
109.10175	0.4
117.07013	0.4
119.04941	0.4
119.08576	1.6
119.75165	0.3
121.06502	8.6
124.03952	8.2
127.01483	0.3
129.07004	0.9
131.07050	0.2
131.08553	2.0
133.08601	2.7
133.10155	0.9
135.08063	0.4
145.06433	0.3
145.10146	0.7
147.08159	2.2
147.10153	11.9
147.11420	0.4
149.09612	0.5
159.11699	0.6
165.09120	3.5
166.07777	0.3
171.11601	0.3
175.14906	0.3
177.11214	0.9
191.10808	0.3
191.12737	0.6
195.11505	0.4
209.11691	1.6
209.13405	0.9
223.11295	0.3
225.12766	3.0
235.13258	0.4
235.15385	0.6
237.80107	0.3
251.14304	3.3
252.14543	0.3
269.15311	3.0
279.16110	0.3
313.17926	2.0
327.17261	0.5
329.19498	10.5
347.20621	7.0
373.21545	1.7
433.25900	4.1
451.21188	0.4
451.26913	4.8
477.27872	0.4
537.31757	0.5
658.40863	2.5
659.28076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88540	6.8
53.07763	6.0
59.04996	8.1
59.87520	5.8
61.01998	7.2
69.35970	15.9
69.36387	21.2
75.50690	7.0
87.04469	8.5
89.06017	22.0
105.07027	100.0
106.07347	11.9
177.11270	6.7
659.22284	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54932	1.0
67.05499	3.2
69.03426	1.3
73.02929	1.7
76.02008	1.3
77.03942	1.5
79.05489	2.6
81.03416	1.9
85.02917	2.1
87.04469	2.5
88.80759	1.2
89.06034	2.1
91.05483	4.5
93.07034	7.3
94.06560	9.9
95.04961	2.6
95.07347	6.5
95.08601	1.4
96.08130	14.2
97.02885	2.4
103.03917	1.2
105.01853	1.2
108.08109	13.7
110.09668	25.5
119.04945	3.9
120.04498	1.6
120.08115	15.4
121.02876	5.7
121.06499	1.6
122.05999	6.5
124.07627	4.0
125.58333	1.1
127.03879	1.9
136.07574	9.2
138.05476	2.3
138.09142	28.6
147.04388	11.3
148.04709	1.3
148.07541	6.5
152.07164	1.2
153.03046	1.7
156.87787	1.6
166.08632	40.8
195.09209	1.2
197.10663	2.4
204.06593	1.6
208.09891	1.7
209.10712	4.4
211.08827	1.6
211.12282	1.2
212.00729	1.2
221.10577	2.0
223.08652	6.1
224.09392	1.8
225.10233	6.7
226.10855	1.3
231.02646	1.4
235.08673	8.7
236.09486	4.7
237.10173	15.5
238.10817	1.8
239.11778	7.5
248.09560	1.4
249.10211	28.7
250.10889	7.5
251.08107	8.7
251.11777	11.8
252.08914	2.3
253.09717	8.6
261.10211	3.0
263.08173	5.1
264.08936	4.4
265.09692	21.7
266.10275	2.9
267.11243	12.7
268.11908	1.7
269.09274	3.2
269.12927	1.3
277.09662	23.1
278.10410	7.8
279.07687	10.8
279.11261	24.6
280.08450	2.7
280.11832	1.9
281.09167	2.3
282.09891	1.9
283.11008	2.6
291.07706	4.3
292.08481	2.9
293.09247	8.1
295.10742	17.7
296.11667	1.7
297.08850	1.3
297.12424	3.2
298.09442	3.4
299.10251	2.2
305.09171	14.1
307.10736	17.7
308.11282	5.6
309.08670	4.2
309.11966	2.7
310.09210	2.0
311.10245	10.7
321.08691	6.6
323.10242	15.9
324.11063	3.6
325.11987	3.0
327.13159	1.8
333.08563	8.6
334.09277	2.1
337.11801	2.9
339.09665	6.4
339.13373	2.5
340.10413	3.0
343.12885	4.2
344.13925	1.6
351.09711	53.8
352.10373	4.5
353.11288	1.8
355.12866	6.6
365.11514	2.6
367.13055	2.7
368.13953	2.3
370.11246	1.8
371.12344	30.4
372.13065	1.8
374.15146	1.7
383.12311	32.3
384.13025	3.3
384.17319	2.0
390.18079	1.3
396.13409	1.5
399.15671	2.8
404.16089	2.0
405.06030	4.0
407.06708	1.4
416.16074	1.8
432.15417	2.2
438.14542	2.6
448.19308	1.7
456.15533	5.8
458.17300	3.0
460.18887	1.7
464.17844	2.2
476.18204	7.3
477.18967	2.0
486.16061	3.2
488.18124	1.9
490.19595	1.6
504.17590	18.2
505.18362	35.9
506.18515	2.9
508.20740	2.1
518.19196	2.5
536.20227	100.0
537.20874	25.2
538.21198	1.5
572.26166	1.4
591.22247	2.1
595.21613	2.2
609.22363	2.5
623.24597	2.9
627.24030	3.7
641.16248	2.6
641.25641	8.1
659.16107	1.5
659.33044	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	659.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	6.1
60.12237	3.5
67.05503	5.2
69.98156	11.0
85.02922	4.5
87.04471	13.0
89.06051	8.3
94.06568	8.4
106.06551	7.1
108.08118	9.3
116.04957	3.9
122.06013	9.5
124.07612	5.2
133.08560	4.0
134.06018	14.6
136.07567	56.9
137.05934	4.7
146.05991	9.5
147.87505	3.9
148.07555	19.5
150.09116	4.7
152.07071	62.3
166.08640	25.9
172.03947	14.0
180.06517	20.6
190.05005	17.6
197.58095	4.2
198.11523	10.6
204.06630	22.9
210.11557	8.3
211.12364	9.8
223.12274	11.0
225.10213	14.6
226.11014	9.8
227.11594	5.3
232.45941	3.8
237.10229	23.5
238.11026	17.0
239.11911	9.8
241.09737	5.6
243.11273	4.7
249.10275	10.7
250.10942	10.2
251.11818	21.7
252.12497	6.7
253.09846	5.9
253.13199	3.8
262.10989	7.5
263.11789	19.3
264.09232	4.1
264.12503	5.7
265.09833	20.8
265.13287	11.0
266.10422	12.1
267.11249	30.7
269.12772	8.6
271.14337	10.1
277.09555	5.9
279.11227	43.8
280.11996	8.9
281.09436	5.1
281.12854	15.4
283.10818	9.7
284.11609	16.4
285.12305	54.7
287.10309	7.7
287.13919	5.3
291.11249	9.0
293.12695	8.6
294.10065	4.5
295.10532	4.4
296.11194	5.2
297.12341	54.5
309.12424	28.3
310.13083	7.3
311.10229	12.3
313.11795	11.9
316.14545	5.6
319.10770	14.1
321.12430	19.4
323.10242	17.9
325.11829	14.4
327.13464	10.9
337.08063	7.4
337.11810	48.3
339.09766	9.5
341.11301	6.1
355.08923	4.2
360.16962	5.0
376.16693	10.3
392.19803	12.0
402.18198	10.2
405.05899	5.6
418.17523	8.0
420.19016	9.4
430.17575	10.8
448.18658	31.6
450.16916	6.8
458.17255	4.8
460.18509	18.5
461.19510	6.6
463.17361	48.2
464.18011	38.9
476.17941	18.4
488.18045	8.4
490.15958	26.1
491.16763	19.3
492.17465	17.8
493.22183	4.7
504.17651	100.0
505.18298	22.3
506.19202	20.5
536.20050	23.3
537.21051	10.3
609.23444	19.1
627.24408	81.1
628.24493	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	659.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.2
51.02374	2.7
53.03946	0.8
55.05510	2.0
57.07058	0.9
60.46864	0.4
61.02915	1.0
65.03938	0.4
67.05500	2.7
69.03422	0.9
69.07062	1.7
69.46345	0.8
69.46747	1.4
70.06583	0.8
78.03445	26.2
79.03796	0.5
79.05491	3.8
80.04995	3.1
81.03400	1.0
81.07059	3.0
83.04968	0.9
85.02886	0.8
88.07616	1.1
89.06036	0.6
91.05473	7.6
93.07041	5.5
95.04984	2.1
95.08594	3.5
96.04483	7.7
97.02905	0.7
97.06522	0.6
102.09172	0.7
104.26638	0.4
105.04494	0.5
105.07030	8.6
106.02907	100.0
107.03236	0.9
107.08591	5.4
109.06499	2.8
109.10152	1.1
111.04485	0.6
115.05424	1.1
117.07001	1.8
119.06062	1.0
119.08567	13.4
121.06483	1.2
121.10139	2.2
123.04419	0.5
123.08050	1.1
124.03941	88.8
124.56008	0.6
125.04320	0.6
125.05900	0.7
128.06183	2.6
129.06981	2.2
130.07759	0.8
131.08563	3.9
133.06448	0.8
133.10112	6.6
135.08049	1.4
137.02328	1.3
141.06985	1.8
142.07753	3.2
143.08554	6.6
144.09320	1.0
145.06467	0.5
145.10112	6.3
147.08046	2.0
147.11670	12.5
149.02324	1.2
149.09586	0.8
150.02611	0.6
151.07518	1.0
153.06956	0.7
154.07742	1.1
155.08501	2.5
156.09360	2.9
157.10115	9.6
158.10945	3.9
159.08063	0.6
159.11687	3.4
161.06041	0.5
161.09596	6.8
161.13266	3.4
163.07462	0.6
165.06996	2.0
166.07716	0.7
167.08566	2.0
168.09315	1.7
168.53067	0.5
169.10110	5.6
170.10858	1.9
171.08089	0.6
171.11681	4.2
172.12436	3.7
172.83273	0.5
173.09579	1.3
173.13232	1.7
175.07593	0.7
175.11163	1.3
176.11984	3.6
176.15596	1.6
177.09076	0.5
178.08635	15.7
179.08577	2.1
180.09355	1.7
181.10103	2.0
182.10873	1.5
183.06502	0.5
183.08061	1.2
183.11687	4.3
185.09621	0.6
185.13181	2.2
187.07500	1.1
187.11131	1.9
187.14735	0.6
188.11829	0.5
189.09119	0.9
190.13560	0.6
192.09363	0.9
193.04959	1.6
193.10130	2.8
194.10869	2.0
195.07979	0.5
195.11653	3.2
196.12476	1.9
197.09566	1.5
197.13290	2.7
198.14027	0.7
201.09007	1.0
203.10675	0.8
203.14322	3.4
206.08095	5.2
206.10922	1.0
207.11621	3.1
208.12309	1.0
208.50606	0.5
209.13190	3.0
210.14014	0.8
211.11351	1.0
211.14850	2.8
215.10596	1.7
217.08490	0.6
219.11661	1.6
220.12468	1.1
221.13268	2.5
223.11153	0.7
223.14775	1.5
224.09151	25.9
225.09288	0.9
225.12755	0.9
225.16370	2.6
227.10675	0.7
229.12242	0.6
234.13933	1.3
235.14798	1.9
236.15460	0.6
237.07484	0.5
237.12708	0.7
237.16272	0.6
239.10699	1.3
239.14149	0.6
239.17847	0.5
241.12175	1.6
249.16470	2.1
251.17915	1.4
253.12123	1.7
253.15871	1.6
255.13731	0.8
256.26245	1.4
267.17416	2.4
268.13330	3.4
271.16879	6.2
277.15918	0.6
280.14609	0.6
295.16888	13.9
296.17154	0.6
313.17960	10.7
314.18457	0.5
418.20010	0.9
429.11423	0.5
430.12216	0.7
436.21161	1.2
504.48898	0.6
518.25092	1.6
536.26587	2.4
598.71259	0.5
641.28583	7.6
659.28870	18.3
660.29456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.2
50.10461	0.7
51.02388	1.4
55.05519	1.8
57.07076	1.9
65.03947	1.0
67.05511	5.0
67.52837	0.6
69.03441	1.0
69.07072	1.5
70.06593	2.7
71.43198	0.7
78.03455	20.5
79.04239	0.8
79.05497	2.7
80.05010	2.7
81.07058	3.7
83.04985	2.0
83.08600	0.9
85.02899	1.0
88.07637	2.6
89.06026	2.1
91.05472	4.1
93.07056	4.8
95.04977	1.2
95.08616	5.7
96.04490	5.7
97.02908	0.9
102.09189	2.2
105.07032	8.5
106.02911	100.0
106.07381	0.8
107.03235	1.7
107.08587	5.4
109.06512	2.4
109.10157	1.9
111.04442	7.7
111.08054	0.7
117.07017	2.4
119.08565	7.4
121.06504	1.1
121.10133	3.1
123.08086	1.4
124.03949	41.7
127.01560	1.2
128.06227	1.0
129.06984	2.0
131.08556	3.0
133.06483	1.1
133.08545	0.8
133.10129	3.7
135.08090	1.2
135.11676	1.6
142.07782	1.7
143.08549	4.6
144.09348	1.0
145.10103	7.6
147.08043	1.0
147.11658	4.7
148.07608	0.7
149.02338	5.1
149.05949	0.9
149.09615	0.9
149.13298	0.7
150.02647	1.7
155.08540	1.2
156.09311	2.2
157.10121	6.1
158.10962	1.0
159.11702	6.6
161.09558	1.2
161.13184	1.0
167.08569	1.7
168.75443	0.7
169.10097	3.1
170.10890	1.9
171.11690	5.1
172.12323	1.0
173.09605	0.8
173.13165	2.7
175.14679	0.7
176.11839	0.8
177.12700	1.5
178.08647	0.7
179.08508	0.8
180.09262	1.1
181.10074	1.7
183.11632	2.6
184.12479	0.8
185.09593	1.3
185.13312	3.4
187.11159	1.2
187.14766	3.6
189.08969	0.7
191.10452	0.7
193.04958	6.3
193.10046	1.1
194.05255	1.7
195.11610	3.1
197.13152	3.0
199.14796	4.2
200.15414	0.7
201.12543	0.8
203.10622	1.5
204.06552	39.7
205.06898	1.2
205.15779	1.8
207.11685	0.8
209.13179	2.3
210.13637	0.8
211.14656	1.4
213.12721	1.4
213.16322	1.1
215.10663	0.9
222.07616	23.1
222.14058	1.2
223.08067	0.7
223.11232	0.7
223.14764	1.1
224.09203	1.0
227.17915	1.1
236.15550	0.8
237.07451	1.7
237.12614	1.2
237.16318	2.4
241.12184	1.4
251.17877	2.2
255.17223	0.9
256.26324	4.8
257.26590	3.2
268.13113	0.8
269.18979	1.5
273.14706	1.6
279.17361	2.2
297.18524	9.3
315.19537	5.2
342.06738	1.3
360.07767	0.7
385.09082	0.9
386.09464	0.9
420.21561	1.3
429.11688	1.3
430.11728	2.9
518.25275	3.8
536.25769	2.0
543.24554	0.8
567.32367	0.7
600.55878	0.8
641.27429	2.5
658.34528	1.7
659.28558	41.2
660.29211	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	659.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55891	0.4
53.03897	0.6
56.96504	18.5
56.96812	1.8
63.34335	0.4
65.03889	0.5
67.05448	0.4
69.10953	2.6
71.95203	1.1
73.02838	0.5
74.97576	0.5
79.05489	29.5
79.05923	1.6
84.95967	0.5
87.04462	2.7
89.05969	0.9
91.05471	4.3
95.04890	1.8
95.05441	0.4
97.96744	1.7
98.22672	0.7
98.97510	1.6
103.00715	2.0
105.00108	0.8
105.04462	0.9
105.07035	3.5
107.08592	7.3
109.06445	1.3
110.97567	2.5
111.98385	0.5
115.00661	1.0
115.97756	1.1
116.98575	1.0
119.05991	0.5
121.01649	1.4
123.01099	0.7
124.03899	0.8
128.98595	4.6
129.02206	1.1
133.01657	1.0
133.98805	0.8
134.99568	0.4
137.02695	0.9
141.02191	0.7
143.00099	0.7
146.99655	2.9
147.03209	1.0
148.00381	0.4
151.04256	0.6
153.02180	0.8
155.03784	2.0
157.01636	0.6
159.03207	1.0
161.01154	0.6
161.04831	0.7
163.02753	0.4
167.03685	0.5
169.01714	0.5
169.05385	0.8
171.03288	3.1
173.04843	5.4
175.02737	0.8
181.05260	1.1
183.06882	0.5
184.03989	0.9
185.01189	0.4
185.04831	2.9
187.02702	0.5
187.06325	0.7
189.04256	1.8
189.07925	1.0
191.05882	2.3
193.03688	0.4
195.06897	1.0
197.04814	0.8
197.08424	1.5
198.05768	0.4
199.02724	1.7
199.06390	5.0
199.10008	0.7
201.04308	0.7
201.07999	2.4
202.05119	0.7
203.05910	2.5
205.05389	0.5
205.07372	0.9
209.04909	0.6
209.08453	0.6
211.06314	0.8
213.04289	0.8
213.07938	0.8
215.09509	1.4
217.07434	3.6
217.10953	0.6
219.08968	1.3
221.08723	0.4
223.02654	0.7
223.06325	0.7
225.04327	2.2
225.07886	2.8
227.05840	1.0
229.07361	2.5
231.08987	0.5
235.09874	0.5
237.04211	0.6
237.07956	1.2
239.05835	0.5
239.09590	0.5
241.07440	2.7
243.09041	23.9
245.06812	0.8
247.08435	1.6
255.08987	4.5
257.10519	0.9
259.08490	2.9
261.10059	12.4
265.11322	0.7
266.10507	1.2
268.09677	1.3
273.10056	1.8
277.11124	0.9
280.09726	1.2
281.10327	0.5
295.11838	0.5
298.10855	0.7
305.10632	0.5
313.14764	3.0
319.12064	1.1
319.15564	0.6
329.14236	2.7
331.15775	97.7
332.16165	2.9
347.15375	3.4
349.16837	100.0
350.17267	3.0
367.17905	29.3
368.18259	0.9
372.18369	6.3
385.19043	1.2
390.19492	4.0
456.78928	0.4
623.36145	1.3
641.37280	8.7
642.37329	0.6
659.38367	15.3
660.38922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03453	2.5
67.01851	2.6
68.99782	15.3
70.02962	2.1
70.06584	2.4
71.43254	2.3
80.87061	2.1
82.43713	1.7
83.42712	1.9
86.09687	2.6
87.16069	1.9
87.91458	1.7
95.01315	1.9
99.33134	1.9
103.05457	8.3
107.01302	2.3
107.04948	39.4
110.02431	9.4
111.03223	2.2
120.05735	2.2
120.96222	1.8
121.02052	3.6
121.02866	37.1
125.00068	2.1
128.05334	1.8
131.04926	35.1
133.06496	3.2
138.00839	3.6
138.01859	64.4
140.03474	5.0
145.06491	4.9
149.02417	2.3
155.04898	8.7
156.02908	4.5
157.06447	2.9
159.04413	9.7
161.05963	3.2
165.99968	3.5
166.01361	68.3
167.02075	4.9
168.02911	21.9
169.01271	2.5
171.04411	5.7
173.05962	6.8
178.01306	5.7
183.04356	10.8
184.02437	22.4
184.05116	2.0
184.07298	9.1
185.03198	3.0
185.06027	2.3
187.03929	6.1
189.05431	2.9
190.99670	2.1
193.04887	2.0
199.03889	5.1
201.05415	9.5
202.06195	3.6
208.02457	2.1
209.00858	3.1
211.03922	7.6
213.05453	3.9
225.05440	30.8
225.07475	3.1
228.06525	4.9
229.04947	10.8
239.03419	14.3
242.08081	16.8
256.05969	10.7
257.04428	24.6
258.05167	11.1
269.04202	2.1
270.07596	100.0
271.08185	7.5
272.09155	19.8
273.03928	5.4
275.05499	9.1
284.05511	37.8
285.03888	67.9
286.04642	20.5
287.05423	7.2
294.07584	2.3
302.06644	4.7
303.04980	42.3
303.08395	2.3
304.05676	10.6
315.09912	2.1
340.14651	2.0
343.09625	2.2
347.09247	4.0
361.10614	4.7
371.09003	2.3
388.11783	33.3
389.10156	84.7
389.15247	4.4
390.10870	31.8
391.11533	5.7
449.07095	2.2
553.13031	3.2
556.12317	30.2
556.20001	3.7
557.12732	2.7
659.35400	3.2
660.18848	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	660.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
57.13324	0.7
68.99799	1.4
69.03410	1.0
70.06584	4.4
79.05489	1.5
88.24007	0.7
91.05478	3.4
95.04986	1.5
103.05464	2.2
105.03404	1.1
105.07005	1.0
107.04945	2.3
110.06097	0.8
119.04936	2.1
121.02858	2.1
123.04402	0.8
125.05991	1.3
131.04922	8.5
135.04439	1.0
137.06013	2.6
147.04401	3.3
151.03900	3.9
156.02910	2.2
164.03339	0.9
165.01865	0.9
165.05444	1.4
175.03908	6.6
179.03455	1.8
181.01390	1.1
181.04977	1.6
183.02867	1.6
193.04984	6.2
195.02888	6.3
199.02359	1.6
203.03404	4.4
209.04488	1.4
209.92651	0.7
215.08774	0.7
220.06139	0.9
221.04445	100.0
222.04747	2.3
238.07117	6.7
239.05379	4.8
242.08096	0.9
243.08458	1.1
271.05746	1.0
281.68124	0.8
283.09567	2.0
289.08487	1.3
299.09045	1.4
307.09558	1.4
325.10712	11.4
342.13358	96.4
343.13657	5.0
449.44131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97805	0.2
53.03937	0.5
55.01846	0.4
56.73639	0.2
65.03704	0.2
65.03945	2.4
67.05518	1.1
69.03427	2.2
69.16355	1.6
71.04977	0.4
81.03416	4.7
85.02905	2.2
93.03400	2.2
93.83578	0.2
95.04956	0.6
97.02888	2.2
98.23558	0.5
99.04477	0.6
108.02071	1.4
109.02879	2.3
110.03686	0.2
111.04440	2.9
121.04048	0.3
125.05986	3.4
127.03918	1.3
136.01529	0.4
139.03799	0.2
141.05467	1.7
145.04965	0.3
151.03903	100.0
151.04958	6.1
152.04208	1.7
163.03917	0.8
169.04965	12.5
284.41245	0.3
294.23694	0.3
295.08096	7.2
313.09171	8.9
314.09421	0.3
382.72787	0.3
506.28629	0.2
602.44263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17973	0.2
51.02370	0.2
52.03167	0.3
53.03941	0.7
55.01861	0.5
57.03427	0.8
65.03937	2.9
66.04701	0.5
67.05499	1.0
69.03426	2.0
70.06605	0.3
71.04990	3.2
71.41917	0.2
73.02924	0.4
77.03925	0.3
79.05492	0.4
81.02957	0.4
81.03416	6.0
81.07050	0.2
83.04952	0.2
85.02899	5.7
85.32434	0.2
89.03909	0.7
90.24463	0.2
91.05474	0.7
93.03407	2.3
94.04173	1.9
95.04964	1.1
97.02895	2.3
99.04456	0.9
105.04564	0.2
107.04935	0.6
108.02074	1.6
109.02886	2.8
110.03651	0.5
111.04431	4.1
117.03384	1.0
121.03992	0.3
122.03632	4.3
123.00670	0.2
123.04419	2.0
125.05978	3.5
127.03894	1.6
129.05476	1.1
135.04424	2.7
136.01566	0.4
137.05966	74.9
138.06314	1.2
139.03877	1.1
141.05479	1.6
145.02834	2.4
145.04967	0.6
147.04385	0.4
151.03899	100.0
151.04971	7.4
152.04219	1.7
153.18349	0.2
161.05994	0.3
163.03893	27.2
164.04187	0.8
165.05495	1.4
169.04950	12.7
170.05315	0.3
177.05428	0.3
181.04948	1.5
189.05486	1.4
205.07013	0.3
207.06474	1.6
211.07628	0.2
217.08534	0.6
223.06143	0.3
225.07602	0.3
241.07056	0.3
243.23691	0.2
245.08076	0.7
253.07088	0.3
257.08096	0.9
263.09137	0.5
275.09106	0.4
295.08093	6.1
299.09039	1.3
307.08047	0.4
313.09143	9.4
314.09561	0.3
317.10178	2.2
325.09125	4.3
369.11487	0.2
418.26636	0.2
443.13480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.7
62.42464	1.9
65.03936	5.7
67.05499	2.0
70.06584	2.7
75.04472	4.8
78.04700	4.0
79.05487	7.1
81.07020	1.9
84.08163	2.4
85.02935	2.4
89.03903	2.3
91.05476	40.9
93.03401	10.8
93.07050	6.4
95.04950	9.1
96.04523	2.2
97.06513	2.9
103.05468	19.7
105.03403	5.1
105.04527	2.3
105.07026	8.1
106.04180	25.3
107.04959	6.2
109.06525	5.1
115.05485	3.4
119.04950	28.4
120.11922	1.7
121.06508	26.1
121.85311	1.7
123.08080	2.4
125.05993	7.3
129.07059	2.7
131.04932	29.4
132.05183	2.2
133.06485	5.0
134.03647	6.5
135.08069	2.4
137.05977	7.7
139.07513	2.6
147.04408	9.9
147.08037	5.9
148.05190	4.8
149.05978	44.0
151.07520	13.4
153.09117	13.2
159.08063	7.4
161.05978	29.7
162.06761	7.6
163.03807	2.2
163.07552	5.6
166.05002	2.1
167.07047	44.4
168.02937	6.2
174.35394	1.7
175.07549	16.4
177.05434	25.6
179.07042	13.1
180.07787	3.9
181.08589	21.3
181.25388	1.8
187.07526	17.2
190.06328	5.8
191.07004	14.8
192.07764	4.5
205.08582	44.9
205.10417	2.4
209.08078	100.0
210.08568	3.2
217.08636	2.3
235.07541	2.5
235.09561	10.1
262.01639	2.1
272.09244	4.2
293.19745	1.8
302.30585	2.0
339.12198	5.4
341.13803	3.9
371.14896	3.4
403.65411	2.1
472.26746	3.3
601.86121	2.3
629.15125	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	660.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.7
55.01899	0.8
57.03439	1.6
59.15452	0.3
61.02953	0.4
65.03973	1.1
65.93941	0.3
69.03419	2.5
69.25719	1.7
71.04990	10.6
73.02954	0.7
79.05517	0.4
81.03413	4.6
83.05020	1.0
85.02899	12.5
89.03905	2.5
91.05524	1.2
93.03427	0.7
94.04173	0.8
95.04967	0.7
97.02905	2.4
99.04495	1.1
105.07086	0.4
107.04997	1.3
108.02101	0.7
109.02868	3.3
111.04433	3.8
117.03373	3.9
119.04957	0.9
122.03605	1.6
123.04428	6.8
125.06006	1.2
127.03890	2.8
129.05482	3.1
131.04903	0.4
133.06581	0.5
135.03366	0.3
135.04404	9.5
137.05968	36.5
138.06319	0.5
139.03880	4.8
141.05458	0.6
145.02843	8.4
145.03937	0.4
145.04893	0.7
147.04398	1.3
147.06506	1.2
151.03897	44.8
151.04967	3.1
152.04250	0.7
161.05959	1.0
163.03889	100.0
164.04253	1.9
164.09140	0.6
165.05482	6.3
165.06819	0.6
169.04982	6.0
179.07037	0.7
181.04955	5.3
187.05974	1.1
189.05457	6.3
193.87598	0.3
205.07063	0.8
207.06497	5.6
211.07460	0.7
217.08441	0.4
223.05905	1.2
239.06866	0.7
242.05698	0.4
245.08107	1.6
255.06464	0.5
257.08057	2.7
263.09201	1.6
270.33917	0.3
275.09122	1.6
283.08160	0.6
289.06992	0.7
295.08069	2.7
299.09048	4.9
307.08026	1.6
309.09448	1.0
313.09158	4.3
317.06827	0.5
317.10178	7.2
325.09155	14.1
425.11990	0.7
443.13391	1.8
461.14209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
54.26088	0.5
55.01860	0.6
57.03423	2.1
65.03932	2.1
67.05487	0.9
69.03416	2.1
70.02466	0.7
70.02789	1.1
71.04989	11.0
73.02911	1.1
79.05470	1.1
81.03407	3.7
83.04967	0.9
85.02901	14.5
87.04482	0.6
89.03909	2.9
91.05460	1.0
93.03397	1.5
94.04153	0.6
95.04965	1.1
97.02882	2.8
99.04446	0.8
103.55627	0.5
107.04931	1.8
108.02075	1.3
109.02867	3.6
110.67686	0.5
111.04441	4.9
117.03355	4.8
119.04934	0.8
122.03656	2.3
123.04443	5.7
125.05991	2.8
127.03945	2.9
129.05501	2.9
131.04897	0.9
135.04417	10.5
137.05968	48.7
138.06279	1.3
139.03926	4.3
141.05458	1.3
145.02850	9.3
145.03957	1.1
147.04370	1.1
147.06438	0.8
151.03903	63.0
151.05000	3.9
152.04248	1.0
152.26561	0.6
161.05991	1.2
163.03894	100.0
164.04237	2.7
165.05464	6.7
169.04967	7.1
177.05426	0.7
181.04939	5.8
187.06041	1.2
189.05453	5.4
207.06471	3.5
211.07462	0.8
223.05975	1.4
242.05914	1.1
245.08144	1.9
257.08090	3.7
263.09152	1.9
271.19144	0.6
273.07755	0.6
275.09119	2.0
289.07019	0.6
295.08051	3.4
299.09119	4.9
307.08105	2.1
309.09647	0.7
313.09183	6.5
317.10184	7.3
325.09155	14.9
326.09561	0.7
443.13217	1.9
461.14264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46449	0.8
52.43193	0.7
53.03949	4.9
54.48788	0.7
55.01871	7.0
55.05505	2.4
56.14618	0.8
57.03430	8.2
57.94547	0.8
61.02925	9.6
67.05481	1.2
68.99782	2.7
69.03425	36.8
69.17163	1.6
69.17563	4.3
70.06573	1.9
71.01347	1.5
71.04977	4.9
73.02912	22.8
75.04494	0.8
81.03411	26.4
81.07036	1.2
83.04975	1.2
83.08624	2.2
84.04491	0.9
84.08147	1.5
85.02898	100.0
86.09690	2.7
87.00823	46.3
87.04466	1.3
92.29768	0.7
93.07061	1.1
95.04982	1.5
97.02883	57.3
97.06501	1.0
98.22753	1.5
99.04455	13.2
101.02345	0.9
103.03931	1.6
105.01859	85.8
109.02868	38.9
111.04436	1.9
115.03917	4.4
116.37820	0.9
117.01842	2.0
121.02872	0.9
123.04439	1.9
127.03906	86.5
128.04214	1.3
129.01842	3.0
133.04958	1.7
136.88512	0.9
139.03851	1.1
145.04947	34.3
147.02884	3.0
147.04445	0.8
151.03880	2.8
153.05429	0.8
154.04932	1.4
159.02866	13.3
163.05984	1.4
163.11230	1.2
169.04820	0.9
171.02795	1.5
173.12918	0.8
181.04970	1.5
187.05965	1.6
189.03934	3.1
193.04958	1.0
201.03836	1.0
205.07123	0.9
213.03952	12.4
223.05986	3.6
231.04979	43.4
241.06956	2.2
249.06029	30.3
253.07098	3.8
259.08124	1.3
270.99283	0.8
271.08078	3.5
273.06012	4.0
283.15363	2.3
301.16370	3.2
317.43161	1.0
327.06958	2.2
339.07013	1.1
345.08139	2.5
357.07990	2.7
363.09131	3.7
375.09076	2.6
393.10123	6.0
411.11359	2.5
580.26257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
53.35320	0.7
55.01869	6.9
57.03434	8.3
61.02924	9.8
65.03941	0.7
67.05494	1.0
68.99793	2.6
69.03425	43.0
69.07053	1.0
69.37894	3.6
70.06570	0.8
71.01349	2.0
71.04991	5.5
73.02493	0.7
73.02915	24.7
81.03413	27.0
83.01340	0.9
83.04992	1.5
85.02900	100.0
86.03234	1.0
87.00822	50.2
87.04462	2.2
91.03933	2.0
95.04960	1.3
97.02886	60.4
99.04454	14.5
101.02380	1.0
103.03925	2.6
105.01860	78.2
106.02220	1.1
109.02872	37.9
111.04426	1.0
115.03923	4.8
117.01832	2.1
123.04402	1.2
123.89556	0.7
125.01372	0.6
125.02296	1.4
127.03906	89.7
128.04160	0.8
129.01854	3.5
129.05507	0.8
133.04936	1.5
145.04951	34.5
147.02917	1.8
151.03929	4.7
159.02864	12.3
169.04935	1.5
171.02902	1.1
179.70230	0.8
181.04929	20.1
187.05971	0.9
189.03931	5.0
199.06116	2.1
201.03970	1.3
206.78162	0.8
213.03908	9.9
223.05942	3.7
231.04977	39.4
233.06546	0.8
241.07082	2.2
249.06042	25.3
253.07056	3.9
259.08179	1.7
271.08139	2.6
273.06046	4.6
327.07214	2.0
343.10202	1.6
345.08240	2.7
357.08310	2.0
363.09274	2.4
375.09238	2.4
393.10333	4.6
411.11359	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	660.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.0
51.02359	2.6
53.03932	2.1
55.01847	1.5
55.05507	3.9
57.03428	0.9
57.07060	0.7
59.04999	3.9
60.14475	0.8
64.30404	0.7
65.03918	1.6
65.31229	0.7
67.05492	10.0
67.69280	0.8
69.03436	0.7
69.07053	2.1
71.04978	1.3
71.08624	1.0
72.32498	0.6
73.02892	1.4
73.06520	1.3
77.03905	2.2
78.03445	18.1
79.05489	8.4
80.05048	1.1
81.03398	1.1
81.07057	6.8
83.04969	4.6
83.08616	1.1
86.09683	1.4
87.04472	6.2
88.15272	0.7
88.93801	0.8
89.06025	4.8
91.05470	8.7
93.03375	1.3
93.07042	9.6
95.04953	10.9
95.08595	11.2
96.04486	4.4
96.08988	1.0
97.02900	1.3
97.06515	2.2
103.03927	0.9
103.05479	2.8
103.07594	1.3
105.03384	53.8
105.04404	3.9
105.07018	37.3
106.02906	100.0
106.07359	2.0
107.03236	1.4
107.04978	1.2
107.08586	12.1
109.06513	3.5
109.10155	3.9
111.04432	16.9
111.08084	0.8
115.05462	0.9
117.07005	3.9
117.09115	0.9
119.08572	16.6
121.06509	5.0
121.10125	5.7
123.08019	3.7
124.03942	58.5
125.05982	0.9
127.01553	0.8
128.06223	2.1
129.07011	4.3
131.08557	8.9
133.06474	1.0
133.08597	2.3
133.10117	9.1
135.08037	2.9
135.11694	2.9
137.09612	1.3
139.07559	1.8
142.07808	3.6
143.08565	7.6
144.09338	2.0
145.10112	12.9
147.08046	6.5
147.11670	9.2
149.05988	1.5
149.09622	2.9
149.13287	1.3
151.07497	1.3
153.06946	1.1
155.08549	3.7
156.09341	3.9
157.10100	13.6
158.10924	1.1
159.08057	1.1
159.11671	12.3
161.09659	2.9
161.13254	2.9
163.07516	0.9
163.11162	1.5
167.08572	3.0
168.09235	1.2
169.10126	6.5
170.10902	4.2
171.08173	0.8
171.11665	12.1
172.12436	1.6
173.09648	2.7
173.11909	0.8
173.13182	4.4
175.14835	3.2
176.12239	0.8
177.09114	1.4
177.11317	1.2
177.12799	3.2
178.08627	15.9
179.08551	2.6
180.09325	1.3
181.10100	3.9
182.10907	1.9
183.11661	6.3
184.07321	2.4
184.12483	2.0
185.09576	1.5
185.13199	7.3
186.14003	1.1
187.11165	2.4
187.14798	8.3
193.10130	2.2
194.10930	1.9
195.11694	7.0
196.12495	1.5
197.09634	1.1
197.13245	6.5
199.07552	1.0
199.11272	2.0
199.14795	10.6
200.15668	1.6
201.12737	0.7
203.10748	1.1
205.10162	0.7
205.15938	3.3
206.08119	4.8
207.11737	3.1
208.12529	1.6
209.09613	1.7
209.13249	5.8
211.11246	1.0
211.14835	3.2
213.12790	1.5
213.16417	2.2
215.10730	3.5
219.11896	0.7
220.12492	0.8
221.13269	1.7
222.13916	1.1
223.11208	1.7
223.14879	2.3
224.09148	27.8
225.12817	1.8
225.16507	0.7
227.10728	2.3
227.14319	1.6
227.17941	1.9
229.12305	1.0
235.15120	0.7
236.15594	1.7
237.12814	2.3
237.16483	2.6
241.12186	2.9
241.15894	1.2
241.19568	1.4
246.14297	0.9
249.12744	1.0
251.18028	4.1
253.19560	1.2
255.13803	1.4
255.17529	1.7
257.15308	1.4
259.16800	0.9
261.16364	1.1
267.13898	1.9
269.15543	1.0
269.19034	1.8
273.14902	2.6
273.18271	1.3
279.17548	4.9
287.20349	1.3
297.18436	22.8
315.19489	12.9
538.28033	5.9
642.30591	7.3
643.31049	0.8
660.31635	90.0
661.32294	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	661.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01857	0.5
57.03429	0.4
59.15982	0.2
65.03934	2.6
67.05502	1.4
69.03417	1.8
69.49659	0.9
79.05511	0.4
81.03413	3.5
81.98615	0.2
85.02897	2.6
91.05470	0.4
93.03392	2.2
93.07042	0.3
95.04961	1.0
95.08595	0.5
97.02862	1.7
97.06509	1.5
99.04441	0.4
107.04941	0.8
107.08590	0.3
108.02070	1.4
109.02883	1.3
109.10139	0.7
110.03625	0.6
111.04437	4.3
113.41502	0.2
117.06976	0.4
121.06504	0.4
123.04361	0.3
125.05984	3.8
125.53975	0.3
127.03867	0.8
131.04874	0.5
135.04404	0.8
135.11714	0.5
136.01564	0.3
137.06018	0.3
141.05420	1.8
145.06532	0.3
151.03891	100.0
151.04970	7.8
152.04236	1.3
153.05463	1.6
157.10158	0.5
161.05974	0.5
163.07520	22.8
165.09059	0.4
169.04945	8.1
175.07524	0.8
177.09061	2.4
181.04955	0.6
181.08575	8.1
181.10100	0.5
187.07527	0.5
189.09125	0.8
201.09225	0.3
203.10672	3.6
207.10075	0.4
215.10648	1.0
221.11714	5.4
233.11710	0.5
257.15463	0.4
270.16019	0.4
271.09525	0.3
285.15411	0.2
285.18454	4.6
295.08041	3.2
303.19501	10.9
313.09131	6.2
313.17926	2.0
331.19003	7.8
332.19360	0.4
349.20013	3.7
552.27887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60867	0.5
69.07059	0.7
69.13970	0.8
69.14374	1.8
91.05492	0.6
94.06564	0.4
119.04926	0.8
121.02898	0.4
122.06032	0.5
134.06021	0.6
136.63753	0.5
138.05490	1.2
138.09154	0.9
140.07045	1.0
147.04425	2.5
152.07025	1.2
160.07600	0.4
166.08614	1.0
190.08510	0.6
192.06599	0.4
194.08165	1.9
201.10185	0.7
212.09323	0.5
221.10767	0.6
223.12286	0.7
225.10178	0.9
235.08638	1.3
236.09521	0.6
237.10204	1.9
238.10909	0.8
243.11452	0.7
248.09300	1.4
249.10266	7.2
250.11009	2.8
251.08162	1.6
251.11757	4.1
252.12511	0.6
253.09766	0.7
255.11339	0.5
259.10513	0.5
261.10226	0.9
262.10968	0.5
263.08136	1.0
263.12003	0.5
264.08932	1.0
265.09714	7.5
267.11179	1.2
273.12427	1.4
273.74609	0.5
277.09692	4.5
278.07019	0.7
278.10440	6.8
279.07669	9.2
279.11252	10.8
280.08246	0.5
280.11899	1.5
281.12735	0.7
282.10080	0.9
283.10773	0.6
285.12390	0.6
291.11142	0.7
292.08414	0.8
293.09265	2.1
293.12833	9.7
294.09943	0.8
294.13055	0.9
295.10733	1.6
295.14374	0.7
296.11316	1.2
297.12405	1.0
305.09235	1.8
306.09937	1.5
307.10742	3.7
308.11682	0.7
309.12369	2.0
310.09546	0.8
311.10217	8.0
311.13684	0.9
313.12106	0.5
315.60953	0.4
321.12433	1.6
322.13031	0.6
323.10333	0.9
323.13934	1.1
324.10980	1.6
325.11783	5.2
326.12500	0.7
327.13724	0.7
328.14493	0.9
333.08777	1.7
334.09442	0.5
337.11795	0.9
338.12598	1.5
339.13382	36.0
340.13858	1.9
342.12204	0.6
343.12970	1.2
344.13980	0.7
351.09760	5.3
352.10568	2.3
353.14963	3.1
354.12222	0.8
355.13022	1.4
356.13977	2.1
357.14166	0.9
362.14948	0.6
363.15613	1.4
366.12027	5.2
367.12842	6.9
367.17014	0.7
368.13675	1.1
369.14609	2.9
370.15466	1.4
375.15671	0.5
376.16711	0.9
380.13834	0.7
383.12311	1.1
384.13101	2.9
384.17151	0.8
390.14371	1.3
397.14194	0.7
398.14655	4.7
398.18716	0.5
399.15479	100.0
400.15872	4.0
401.13910	1.0
404.16046	1.3
412.16504	0.7
414.14337	1.0
416.15826	0.7
418.17978	0.7
422.17090	2.6
429.16849	0.8
430.17819	0.9
433.16068	1.2
444.19272	1.2
446.17123	0.6
450.16055	2.2
456.14996	1.0
457.16318	3.2
458.17056	2.2
465.19031	4.0
474.16769	0.8
478.19739	6.9
488.18198	1.2
489.18909	10.2
490.19693	3.9
506.19205	23.9
507.19632	2.3
508.20520	0.8
524.19983	0.7
538.21814	33.4
539.22522	7.1
540.22937	0.7
585.03833	0.4
597.22876	2.4
629.26013	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.1
69.69734	1.4
85.02905	0.6
91.05487	0.6
94.25652	0.5
107.04956	0.5
119.04916	1.0
121.06483	0.7
124.03956	0.7
127.01456	0.6
136.07570	0.6
138.05484	1.4
138.09128	1.2
147.04405	4.4
152.07021	1.2
161.90845	0.5
166.08673	0.8
177.05476	1.1
181.04964	1.4
188.79369	0.5
194.08144	1.5
214.85094	0.5
216.07581	0.7
235.08701	1.1
237.10265	1.5
238.11060	0.7
239.11711	0.9
248.09369	1.0
249.10229	6.4
250.10963	2.4
251.08214	1.4
251.11774	4.5
253.09833	0.5
263.08023	0.7
263.11777	1.2
264.08936	1.2
265.09720	8.0
267.11398	0.8
269.12949	0.7
273.12259	1.1
277.09686	2.8
278.07321	0.8
278.10431	5.1
279.07654	6.6
279.11261	10.9
280.08273	0.5
280.11877	1.1
281.09222	0.8
281.12561	0.5
282.09930	1.1
287.13895	0.8
289.09662	0.8
293.09265	1.8
293.12830	8.3
294.09894	0.7
295.10843	1.0
296.11414	0.9
297.12289	2.1
305.09204	1.4
306.09982	0.9
307.10834	2.7
308.11563	0.7
309.09128	0.6
309.12329	2.9
311.10269	6.7
311.13815	0.9
317.11591	0.6
323.13751	1.1
324.10913	0.8
325.11829	4.8
326.12494	1.5
327.13727	0.7
333.08765	1.5
337.11783	1.3
338.12393	1.2
339.13361	31.3
340.13895	1.8
341.15964	0.5
343.13028	1.2
344.14090	1.1
351.09659	3.3
352.10370	1.5
353.14948	2.0
355.13083	1.6
356.13763	1.3
357.14355	1.1
363.15802	1.1
366.12015	3.1
367.12903	6.3
368.13770	0.9
369.14505	2.2
370.15256	0.8
376.16605	0.7
381.14813	0.5
383.12332	0.8
384.13089	2.3
390.14264	1.4
398.14658	4.0
399.15469	100.0
400.15869	4.3
401.13712	0.8
404.15942	1.0
414.14267	0.8
416.16162	0.9
422.16907	1.7
433.16211	1.4
450.16434	1.5
457.16278	2.2
458.17050	1.7
464.18359	0.7
465.18985	5.6
478.19693	4.8
488.18027	0.7
489.18921	7.0
490.19345	2.8
506.19177	29.2
507.19479	1.7
508.20673	1.2
524.20355	0.8
538.21814	29.8
539.22485	8.8
578.08441	0.6
597.23474	2.7
617.21545	1.1
629.25952	2.9
661.20300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03003	0.8
56.31598	0.8
58.01336	0.8
67.05520	1.5
68.99774	1.1
69.36205	0.9
79.05505	1.2
81.03415	1.5
87.04463	2.0
89.06050	2.0
91.05451	1.9
95.05000	0.9
97.02911	1.5
102.18568	0.7
115.89656	0.8
117.03375	1.9
117.07007	0.8
118.06496	1.0
119.04910	0.8
120.08122	1.1
121.02879	1.7
123.06813	1.1
124.03965	1.7
124.07597	1.1
133.08603	1.3
134.17339	0.9
138.05498	3.9
138.09146	4.7
145.02838	2.7
146.06104	1.5
147.04436	3.0
149.06012	1.0
151.03903	1.3
163.03883	3.5
164.07114	0.8
165.09026	0.9
166.04967	1.7
177.05531	5.8
178.05804	2.0
181.04996	4.5
182.05382	1.9
190.08568	1.3
201.10246	2.4
211.08788	1.0
225.10205	1.3
225.88464	0.8
231.11301	1.9
234.11290	2.0
235.11575	1.1
243.11319	1.8
247.14439	1.0
248.09227	2.6
249.79037	0.8
251.11581	1.3
253.09546	1.3
259.10754	1.6
265.09818	1.8
267.11261	1.7
273.12482	4.1
278.06570	2.2
279.10938	1.2
280.12057	1.1
281.09433	0.9
283.10815	1.3
285.12332	2.3
287.13956	1.5
293.12976	1.0
299.14023	1.3
303.04941	1.5
311.10306	2.9
313.11832	1.0
316.14236	1.2
318.12488	1.5
325.11804	2.5
327.13391	1.5
330.12079	1.7
332.13779	1.1
339.13589	1.4
340.14413	1.3
343.13016	2.0
344.13950	2.1
353.11197	1.1
357.14435	3.1
360.13245	2.0
362.14859	2.2
363.15628	3.9
364.16559	1.2
372.13403	1.4
374.14767	1.5
376.16519	3.5
388.16724	1.1
390.14178	3.1
390.18188	3.8
399.15619	4.5
402.14166	1.4
404.15854	4.5
405.16885	1.3
416.16086	1.1
418.13528	1.9
418.18250	1.3
419.18094	1.5
422.17038	7.2
428.16571	0.9
429.17395	1.1
432.15182	1.8
433.15909	4.3
434.16458	1.2
435.17795	1.4
438.20197	1.9
446.17194	1.7
450.15771	5.7
460.18347	0.9
463.17203	2.2
464.17899	2.0
465.18927	16.1
467.23520	2.0
474.16528	1.8
478.19751	21.7
479.20169	1.2
484.24475	1.2
485.24548	4.2
491.16592	2.0
499.25964	1.3
506.19214	100.0
507.19778	6.6
524.20435	4.2
532.88843	0.9
538.21851	63.0
539.22314	4.4
597.23090	2.1
661.30005	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	661.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30238	0.6
67.05492	2.1
69.06746	0.7
69.07068	4.3
69.46889	2.0
69.47281	1.0
72.28599	0.6
73.02913	1.3
73.06506	0.7
79.67174	0.6
80.05494	0.8
87.04467	1.4
89.06017	3.8
91.05475	0.7
93.20349	0.7
94.06559	0.9
105.31430	0.7
108.08113	1.1
120.08155	1.2
121.02827	0.9
122.06046	1.0
122.67159	0.6
124.07576	1.0
133.08624	1.7
138.05499	5.1
138.09137	2.9
140.07053	6.4
147.04402	1.0
148.48853	0.6
150.05537	1.3
152.07130	0.8
153.03127	1.7
166.08630	0.7
177.11301	1.1
190.08630	1.1
201.10292	2.0
213.10242	1.9
214.08745	0.7
225.10277	2.4
227.11795	1.4
231.11316	1.4
239.08046	0.8
239.11794	1.1
243.11397	0.8
246.13628	1.1
248.09151	3.8
251.08208	1.1
251.11630	0.9
253.09763	2.7
255.11345	1.0
259.10767	1.5
264.08737	0.9
265.09750	0.9
266.10358	1.1
267.11288	2.8
269.12839	0.8
271.10858	1.9
273.12332	5.1
278.06668	2.5
279.07767	1.6
279.11163	1.6
280.12109	1.2
281.09177	1.7
283.10797	1.5
285.12360	1.0
287.14008	1.5
293.09036	0.9
295.10852	2.3
297.12134	1.0
299.13892	0.9
307.10742	1.4
309.12320	1.2
311.10126	3.6
312.10901	0.7
313.12033	0.9
316.14368	0.7
317.11880	0.9
318.12320	2.1
325.11844	3.8
326.12766	0.8
327.13474	1.5
328.14145	0.9
330.12222	1.2
331.13733	0.9
334.15454	1.1
339.13486	1.6
343.13086	2.1
344.13995	1.4
346.15363	1.4
351.09824	1.6
353.11313	1.4
356.14075	0.9
357.14438	1.5
358.15659	1.0
359.12823	1.0
360.13443	2.1
362.14914	1.9
363.15817	4.9
364.16364	1.0
367.12964	1.2
372.17517	1.0
374.14960	0.9
376.12302	1.1
376.16614	2.3
385.13956	1.4
387.16107	0.8
388.16928	1.3
389.13681	1.1
390.14325	2.2
390.18802	3.2
391.14825	0.8
392.15927	1.1
394.17624	1.4
399.15387	3.1
404.16019	4.6
407.06567	2.3
417.16870	1.1
418.13309	1.3
418.18011	2.2
419.18546	1.6
422.16983	8.0
432.14996	1.8
433.15836	4.7
434.16513	3.6
435.17795	1.4
436.18369	0.8
438.20239	1.9
446.17203	1.9
447.17719	1.4
448.19141	0.8
450.15967	7.9
463.17398	2.9
464.18246	1.9
465.18887	15.0
465.25070	1.2
466.19489	1.7
474.16470	1.8
478.19717	24.1
479.20068	1.6
488.18365	1.6
506.19189	100.0
507.19464	6.8
524.20184	4.2
538.21783	59.8
539.22516	25.7
540.23212	1.0
597.23584	4.4
629.25677	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	661.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.8
51.02369	2.6
53.03936	0.9
55.01838	0.6
55.05495	1.7
65.03927	1.2
67.05506	5.0
69.03428	0.6
69.07052	2.0
69.15940	2.3
69.16340	1.5
71.04975	0.7
78.03445	26.4
79.05468	2.7
80.05013	3.0
80.77596	0.6
81.07060	3.0
83.04968	2.1
91.05473	5.1
93.07030	5.8
95.04959	1.8
95.08601	6.3
96.04480	5.1
97.02903	0.8
105.07026	8.9
106.02905	100.0
107.03252	1.4
107.08588	7.0
109.06493	2.2
109.10117	2.1
111.04435	10.5
111.08089	0.6
117.07007	2.7
119.08571	12.0
121.06506	3.0
121.10148	4.1
123.08073	1.7
124.03939	86.8
125.04268	1.1
128.06197	1.1
129.06972	1.7
130.07719	0.8
131.08545	5.7
133.10123	6.5
135.08020	1.6
135.11679	2.3
139.07526	1.2
141.07016	0.9
142.07762	2.2
143.08539	5.3
144.09282	0.9
145.10104	9.5
147.08029	1.4
147.11679	5.9
149.06055	0.9
149.09583	1.4
149.13254	0.8
155.08516	2.2
156.09297	2.5
157.10106	8.8
158.10844	0.8
159.11673	9.6
161.09615	2.6
161.13237	1.2
163.11194	0.8
165.06976	1.1
167.08488	0.8
169.10110	5.3
170.10876	2.3
171.08115	1.1
171.11668	7.3
172.12509	1.1
173.09616	1.5
173.13234	3.2
175.11195	1.6
175.14818	0.8
176.11972	1.2
177.12749	1.7
178.08609	12.9
179.08708	0.8
180.09453	0.9
181.10118	2.4
182.10965	0.8
183.11601	2.8
184.12451	1.9
185.09653	1.4
185.13261	5.4
186.14041	0.9
187.11142	1.8
187.14799	4.7
193.10085	1.0
194.10963	1.0
195.11694	4.9
196.12404	0.7
197.13260	3.5
199.11186	1.4
199.14818	8.7
200.15561	1.4
203.10657	1.6
205.15950	2.5
206.08130	2.5
207.11665	2.0
208.12419	0.9
209.13240	4.5
211.14812	2.9
213.12781	1.0
213.16385	1.5
215.10638	1.6
221.13206	0.8
222.14102	1.2
223.11253	1.0
223.14717	1.0
224.09149	19.9
227.10716	0.8
227.14348	0.9
227.17938	1.3
233.11708	0.8
235.14905	0.9
237.12694	1.7
237.16411	2.2
241.12247	0.8
251.17963	2.6
253.19270	0.8
255.13866	1.4
255.17480	1.2
264.14993	0.6
268.13266	2.1
269.18948	1.8
273.14923	0.9
273.18469	0.7
279.17465	2.2
297.18451	10.7
315.19553	7.0
420.21756	3.2
520.27100	2.6
538.27795	3.1
643.29987	8.1
661.31085	97.2
662.31390	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	662.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.3
51.02221	0.1
51.02383	0.7
51.12958	0.1
53.03937	0.4
55.01859	0.4
57.03438	0.7
61.02924	0.9
65.00262	0.1
65.03943	0.1
69.03427	4.2
69.53440	0.4
71.01348	0.3
71.04981	0.4
72.27248	0.1
73.02911	0.6
78.03454	2.6
81.03410	1.7
83.01334	0.1
83.04958	0.1
85.02900	11.3
86.03235	0.1
87.04450	0.6
91.03944	0.4
91.05525	0.1
95.04964	0.1
96.04486	100.0
97.02258	0.2
97.02885	4.2
97.04214	0.1
97.04809	1.2
99.04445	0.8
101.02373	0.2
103.03931	0.3
103.62294	0.1
106.75862	0.1
107.04974	0.2
109.02877	1.8
111.04429	0.1
115.03919	0.2
115.05454	0.1
117.07023	0.4
119.04994	0.1
121.03956	0.1
127.03912	3.3
131.04906	0.2
135.08061	0.3
136.07559	1.1
145.04950	3.5
145.06311	0.2
146.05286	0.2
147.08000	0.1
149.05988	0.2
163.05997	0.3
173.05945	0.8
173.48367	0.1
175.35321	0.1
201.05461	1.3
243.10117	0.6
290.75732	0.1
335.55750	0.1
338.13831	5.1
339.14301	0.5
439.35110	0.1
500.19095	2.6
501.19409	0.3
662.24341	3.7
663.24640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01871	7.1
57.03429	6.7
57.43122	0.7
59.87730	0.8
61.02925	9.8
67.05497	1.0
68.99780	2.9
69.03423	39.4
69.43836	4.3
70.06571	1.7
71.01332	1.6
71.04980	5.5
73.02914	23.4
78.46313	0.8
81.03412	29.0
85.02898	100.0
86.03234	1.3
86.09682	1.8
87.00823	50.3
91.03950	2.6
93.12235	0.8
97.02886	52.4
98.22704	1.9
99.04450	14.3
100.86965	0.9
103.03933	2.7
105.01859	94.2
109.02868	42.6
109.03646	1.1
111.04398	1.1
115.03944	4.0
117.01846	1.3
119.85400	0.8
123.04391	1.1
125.02340	1.0
127.03905	92.7
128.04248	1.7
129.01830	3.7
133.04939	1.1
139.03929	0.9
142.35007	0.9
145.04947	35.2
147.02888	2.7
147.04416	1.0
151.03891	1.2
159.02890	11.3
163.06088	1.1
169.04967	1.7
177.04128	1.1
181.04935	2.1
187.05936	1.1
189.03905	5.5
208.83162	0.8
213.03918	13.0
223.06026	2.9
231.04979	43.9
241.07047	1.9
249.06036	28.5
253.07028	4.9
259.08014	1.4
271.08145	4.7
273.06006	6.8
345.08118	3.8
357.08170	3.2
363.09122	3.8
375.09366	2.9
393.10126	6.9
411.11432	1.8
447.10239	1.0
621.09869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01859	2.5
55.05505	5.8
56.04999	1.2
57.03427	5.4
61.02931	8.0
63.40209	1.1
67.05504	8.0
69.03418	4.0
69.07062	2.3
70.06574	6.0
71.04973	1.5
72.08132	2.8
73.02900	4.6
79.05487	7.0
81.03411	98.6
81.07028	8.6
83.04982	4.6
83.08619	23.7
84.04475	1.7
84.08140	2.0
85.02894	12.6
86.09705	6.3
91.03944	9.1
91.05461	10.8
92.05773	1.2
93.07050	4.2
95.04958	29.3
95.08596	3.3
97.02872	7.0
97.06498	1.4
103.03964	1.4
105.07043	7.9
107.04938	7.7
107.08598	3.7
109.02885	1.9
109.06512	3.5
111.04442	2.9
111.08082	11.8
117.07015	1.9
119.08578	10.0
121.06510	2.7
121.10125	4.2
123.04410	3.5
123.08089	2.6
127.03895	4.0
128.48975	1.2
129.07001	8.2
129.10223	2.0
131.08525	9.0
133.06444	2.3
133.10095	3.8
137.09572	1.5
142.07779	2.2
145.04916	2.5
145.10153	1.7
147.04402	2.6
147.08046	3.8
147.11707	8.3
149.09619	5.1
157.10147	11.1
163.06024	8.4
165.12744	2.0
165.51971	1.2
175.11201	14.4
181.04909	11.0
193.12230	72.7
194.12498	2.7
211.07291	1.4
211.13278	5.6
217.12198	1.6
235.13223	4.1
241.04185	1.2
245.18541	1.3
267.15897	48.4
285.16946	100.0
286.17346	4.4
301.14337	3.2
309.16913	20.4
319.15515	1.4
332.99280	1.3
351.17929	3.4
363.18091	8.6
375.17850	4.9
393.19022	4.7
411.20044	2.3
429.21146	5.0
447.22467	2.4
448.64914	1.3
569.45209	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60355	2.2
55.01865	6.8
55.05505	8.4
57.03423	3.4
57.07063	2.6
59.98720	2.7
65.51849	1.9
67.05500	13.4
69.03426	11.9
69.07059	8.2
69.70886	1.9
71.05018	2.3
79.05489	9.1
81.03432	11.5
81.07050	19.5
83.04974	16.0
83.08625	3.6
85.02891	22.1
85.06551	3.3
87.00816	9.5
87.04459	2.7
91.05470	12.6
93.07042	19.9
95.04943	5.6
95.08603	19.4
97.02877	11.0
97.06528	27.8
99.04457	3.3
105.01849	10.0
105.07011	19.3
107.08582	14.2
109.02877	10.3
109.06495	4.8
109.10159	12.5
111.08047	3.5
117.07003	5.2
119.04937	3.2
119.08570	24.5
121.02869	6.2
121.06447	3.3
121.10141	15.3
122.71301	2.3
123.08068	3.1
123.11681	4.8
127.03914	15.6
128.02388	2.3
129.07031	4.0
131.08559	9.8
133.10109	16.9
135.11676	6.2
137.05960	2.0
137.09607	4.5
142.07814	4.3
143.08556	11.5
145.04979	3.9
145.10117	23.7
147.04358	5.2
147.08063	4.3
147.11684	11.4
149.09651	3.6
149.13251	3.1
155.08536	3.9
156.09340	5.1
157.10132	17.3
159.02884	2.1
159.11703	21.7
161.09596	4.3
161.13246	5.2
163.11169	2.7
166.08624	2.9
167.08614	3.6
169.10132	5.6
171.11691	14.4
172.03912	2.4
173.13278	16.8
175.11258	2.8
175.14813	6.4
177.05399	2.3
177.12840	4.2
181.10071	4.5
182.10925	4.4
183.11652	13.6
185.13239	14.6
187.11115	5.2
187.14822	10.8
189.12689	2.6
191.14365	3.0
195.11694	7.9
197.13159	11.0
199.11014	4.1
199.14786	13.3
201.12781	5.9
201.16473	4.5
203.14336	5.5
205.15935	5.2
209.13225	6.9
211.14896	3.7
213.12724	4.8
213.16356	8.6
215.14323	3.7
217.15866	2.6
219.13838	3.0
219.17422	8.6
223.14832	4.3
225.16379	5.1
227.14360	4.7
227.17938	2.9
229.19547	3.9
231.05002	2.7
231.17380	3.2
237.62106	2.4
239.17969	8.8
241.15866	4.5
241.19519	7.3
243.17476	4.7
253.19725	5.0
255.17459	3.2
255.21086	7.4
257.19000	9.8
265.09732	4.1
265.19525	9.1
271.10663	2.6
271.20547	11.9
272.20743	2.2
273.22150	8.0
279.11136	5.1
283.20544	46.0
301.21603	100.0
302.21930	4.5
303.13431	2.8
319.22647	47.1
325.11490	3.3
327.13452	6.1
331.99484	2.6
339.13483	13.3
353.10880	3.0
361.23663	8.1
367.12839	14.0
369.14401	3.3
371.38309	2.3
385.13632	3.5
399.15155	4.2
400.16251	2.4
508.20786	15.5
531.25452	3.5
539.22180	2.9
540.23340	16.1
599.83136	2.2
612.25677	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.172
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69813	0.4
68.99773	0.5
72.12718	0.4
79.01848	0.4
79.07443	0.4
81.04525	2.5
93.04065	0.5
93.04525	4.4
94.04047	0.5
95.02412	1.1
103.05437	0.6
105.04508	1.2
108.92648	0.5
113.03511	2.4
120.05540	1.0
130.04001	0.5
131.04874	2.0
132.05550	2.3
133.03889	0.6
138.01765	0.7
144.05537	1.3
149.02374	0.4
157.03926	0.8
158.03485	1.2
160.05055	6.1
161.03453	0.6
162.06644	0.6
166.01364	1.3
171.04373	1.6
172.05055	3.7
173.03464	1.1
174.06770	0.5
184.05052	3.2
186.02982	1.3
187.03891	4.4
188.04398	0.7
197.05814	0.9
200.04552	5.3
201.02927	1.3
212.04544	10.7
214.02486	1.8
225.05466	0.8
228.04031	1.9
229.04712	0.8
230.05711	2.0
232.03514	1.5
239.03137	0.6
246.05202	0.9
247.03674	0.5
256.03510	100.0
257.04004	3.5
258.05072	3.4
262.09991	0.5
263.08157	0.8
274.04544	8.5
290.09241	0.9
291.07556	1.3
304.07404	0.5
309.13943	0.4
318.08728	2.2
346.08218	15.6
360.09750	67.7
361.10242	4.5
362.11356	0.9
370.01865	0.5
374.07675	63.0
375.08170	5.0
392.08722	26.9
392.13956	1.0
393.09351	2.8
394.10260	1.6
562.09094	0.5
619.14832	2.5
645.12427	0.6
663.15466	1.8
663.29913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
57.07078	2.7
59.77602	1.0
66.49593	1.0
69.07082	1.2
71.44601	1.0
79.05521	1.2
81.07088	1.5
87.04465	10.5
89.05973	1.5
92.84615	1.0
95.08630	1.0
105.07002	10.5
105.12659	1.0
106.07329	1.0
112.47157	1.0
119.25974	1.0
156.74855	1.1
184.07338	1.9
189.00307	1.5
207.01384	3.1
288.02649	7.4
292.05820	6.4
293.06570	73.8
294.06879	3.1
306.03601	1.3
337.27274	1.6
392.08896	100.0
393.09634	25.2
394.10071	1.3
475.28760	1.3
521.41577	2.7
522.42535	1.7
525.71930	1.1
645.16846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25032	1.0
63.82219	1.0
64.48923	1.0
81.01913	4.1
106.08067	1.1
108.94626	1.0
131.04872	1.5
138.01878	2.6
160.00069	3.5
166.01312	1.6
178.01132	2.5
187.99574	5.8
226.00903	1.4
243.03725	5.3
258.03784	2.6
261.04803	6.4
264.06339	7.4
271.03192	6.8
272.03955	3.0
278.05624	1.6
279.06204	2.7
292.05786	100.0
293.06363	11.8
317.06702	13.5
318.07379	9.3
327.53067	1.4
331.08109	1.6
333.08365	2.2
347.10034	3.8
359.07669	4.3
362.09958	58.0
363.10303	1.9
375.09500	93.5
376.10275	18.5
464.22781	1.2
613.15125	1.5
614.14551	1.7
631.16748	80.0
632.17291	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	663.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06126	2.9
63.87971	3.1
64.96661	3.3
67.05487	4.3
69.07070	6.1
69.08229	18.6
81.47943	2.9
81.90926	3.2
87.04465	26.3
91.05437	4.3
97.02888	7.6
98.22681	5.9
117.12497	3.1
120.08084	4.3
121.02867	3.7
121.08846	3.0
122.05997	3.2
124.69763	2.8
127.01546	3.4
133.60086	3.5
134.04175	2.8
136.07549	5.0
138.05511	6.5
140.07047	6.9
144.08112	3.6
145.02803	5.1
152.07100	5.0
164.07021	3.5
166.08658	9.8
177.05510	8.0
204.06639	3.1
219.12218	4.1
222.11380	3.4
235.08513	3.7
236.09183	4.5
237.10207	6.9
238.10959	4.9
241.09584	3.5
248.09406	3.4
249.10205	17.3
250.10901	6.0
251.11720	7.5
259.10776	6.3
261.10306	3.8
262.11011	7.6
263.11752	71.7
264.12598	9.0
265.09750	5.0
265.13361	9.7
266.10437	4.8
267.11188	5.6
271.14517	3.9
277.09631	15.0
278.10577	2.9
279.11276	27.9
280.11783	3.8
281.12869	6.3
282.13635	6.8
283.10760	6.4
285.12265	2.9
287.13876	6.0
291.11292	30.2
292.12012	7.1
295.10767	13.1
295.14087	3.7
296.11609	5.4
297.12311	5.3
307.02084	8.1
307.10645	9.8
307.75766	3.1
309.12280	50.7
311.10150	11.5
311.13782	5.4
313.11853	6.6
318.10110	4.7
323.13928	42.5
324.14417	4.0
325.11777	7.1
327.13364	9.0
331.13626	3.6
336.11017	35.4
337.11700	14.3
339.13339	14.0
340.14337	4.7
341.14938	12.3
343.12863	7.7
345.14572	7.1
349.10590	4.5
353.11292	6.0
359.16165	4.0
367.12875	32.9
368.13589	37.4
369.14441	90.7
370.15182	13.3
370.19727	3.4
370.24707	3.4
376.16776	5.2
377.09918	33.2
378.10278	4.7
379.11435	8.2
389.17429	5.8
399.15540	7.5
404.15674	4.4
418.17834	17.5
431.97989	3.5
435.17801	14.0
436.18765	18.7
448.18845	21.2
460.18774	4.7
463.17542	3.1
476.18057	48.2
477.18719	11.4
478.19556	10.4
480.21353	5.3
490.19727	7.4
508.20734	100.0
509.21872	14.2
510.22269	20.7
540.23431	85.9
541.23602	6.2
581.23694	6.2
599.24896	64.8
600.24762	6.1
619.22131	4.9
631.27527	19.4
663.19873	5.0
663.30499	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	663.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	0.9
61.27527	0.8
64.99459	0.8
69.07062	11.4
70.55180	1.7
71.05000	1.1
73.02907	3.2
73.06568	1.1
74.34809	1.1
74.79521	1.0
78.77650	0.8
80.05521	1.0
82.57867	1.0
86.06056	1.6
87.04468	5.4
89.06021	14.4
91.05460	1.1
94.06590	0.8
96.96082	1.3
97.06532	1.0
99.03292	1.7
108.08083	1.6
116.10735	2.9
117.11086	0.9
121.02856	1.6
121.04588	1.7
129.04405	0.9
131.10052	0.9
133.08592	6.3
136.06265	1.1
138.05501	5.3
139.01563	2.2
140.07056	11.4
143.26405	0.9
153.03108	3.7
154.08617	10.3
177.11241	2.0
188.06970	0.9
197.05833	1.0
218.93590	1.0
225.10211	2.3
232.95328	4.0
237.10237	2.2
243.11317	1.5
248.09172	2.2
248.15195	1.5
248.62930	0.9
249.10156	1.4
251.11913	3.4
253.09703	3.1
253.13441	1.3
261.12415	1.1
263.11823	1.4
265.09769	4.9
265.12891	0.9
266.10358	1.4
267.11267	3.7
268.11975	1.0
269.12988	0.9
271.10822	1.5
275.13876	1.1
276.97928	2.6
278.10327	1.4
279.11258	4.2
280.12091	2.9
281.09439	1.0
281.12814	1.3
283.10870	1.4
285.12384	2.1
287.13953	1.2
293.09164	3.2
293.12405	2.1
294.09964	1.3
295.10709	3.2
295.14380	5.2
296.11563	2.3
297.12463	5.1
301.15384	1.5
309.12180	5.1
310.13049	1.6
311.10266	3.4
311.13815	1.6
312.10825	4.6
313.11639	5.7
316.21252	2.2
317.21460	2.4
323.13638	1.1
325.11761	7.2
326.12213	1.5
327.13351	22.1
328.13913	1.5
335.10272	3.1
337.11758	3.8
339.13397	24.7
340.13919	3.5
353.11356	8.0
354.12042	5.0
355.12857	1.4
367.12866	23.1
368.13528	6.7
369.14426	1.5
421.13596	1.1
434.17099	1.2
435.17621	1.9
448.18671	2.1
452.18143	1.3
467.20435	6.5
476.18002	3.0
480.21219	11.0
481.21912	1.5
508.20773	100.0
509.21310	8.8
526.21857	5.1
540.23395	78.3
540.30334	1.0
541.23773	5.7
565.26520	2.2
582.20227	1.0
599.24884	10.4
663.32080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30835	0.6
69.03438	1.1
69.07066	1.6
69.09709	2.4
69.10121	2.1
81.03394	0.8
81.07046	0.7
85.02927	0.8
93.07057	0.7
97.02940	0.7
98.22684	1.4
103.71402	0.6
105.07028	0.9
109.02881	0.9
109.06498	1.0
111.04446	0.7
119.08569	5.7
121.02837	0.7
122.06040	2.0
133.10139	1.1
133.61003	0.6
140.07083	3.1
146.06050	1.8
148.07588	0.7
151.03888	13.2
151.05022	1.5
152.07091	1.5
158.00063	2.1
166.08604	1.5
169.05006	1.2
172.03963	2.5
174.05566	2.3
176.10651	1.4
178.08617	0.7
190.05096	0.8
194.08096	1.5
204.06599	2.0
206.08116	0.7
220.46260	0.7
223.12358	1.1
225.10275	1.9
226.10973	1.1
227.11882	0.8
235.08566	1.6
236.09502	1.3
237.10210	4.9
238.10864	1.2
239.11688	1.4
249.10252	4.8
250.11029	2.5
251.11774	8.3
252.08971	0.9
252.12607	2.1
253.09717	7.4
253.13492	0.9
254.10196	0.7
262.11127	0.9
263.11801	1.8
265.09760	12.4
266.10220	1.5
267.11240	4.8
269.12915	1.9
271.10892	0.8
277.09714	2.9
278.06705	1.4
278.10522	5.5
279.07715	2.4
279.11221	13.1
280.11880	3.8
281.12854	1.3
283.10773	1.6
284.11530	1.4
287.13751	1.9
291.11340	0.8
293.09155	6.2
293.12860	4.7
294.09998	2.3
295.10822	4.4
295.14456	3.1
296.11667	1.0
297.12393	4.4
299.20090	1.4
302.04343	1.0
306.09970	0.7
307.10718	2.0
308.11499	1.2
309.12283	6.0
311.10275	2.0
311.13882	1.9
312.11014	10.8
313.08624	3.3
313.11893	2.5
317.11298	3.2
317.21127	3.4
323.13870	1.3
324.11035	3.5
325.11722	8.7
326.12485	1.9
327.13358	49.3
328.13712	3.4
335.10156	4.2
336.10916	1.2
337.11884	2.3
339.13370	68.9
340.13995	6.0
352.10388	1.0
353.11243	7.8
354.12387	1.3
356.14279	1.2
357.14502	1.0
367.12869	57.2
368.13596	9.7
369.14450	2.6
384.13147	1.4
385.14127	4.1
398.15143	1.0
399.15515	13.2
400.16412	3.1
416.00806	1.0
458.17093	3.3
459.17838	2.0
467.19867	0.9
476.18149	1.9
480.21243	1.9
490.19666	1.0
508.20752	100.0
509.21060	6.1
523.19562	1.9
526.21887	3.2
540.23376	41.2
541.24072	3.2
565.78528	0.7
581.24310	0.8
599.25031	10.6
600.25403	0.9
602.65692	0.7
633.48840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60683	1.2
61.51689	1.0
62.24363	0.8
63.61606	0.9
70.92235	0.9
82.73703	1.0
85.38538	1.0
89.61726	0.9
119.08579	1.8
120.04419	1.1
122.06036	1.5
140.07129	2.8
146.05948	1.0
146.68182	1.0
151.03922	3.2
152.07117	1.8
176.10786	1.1
190.05113	1.0
204.06532	1.4
225.10149	1.5
225.76134	1.0
235.08708	1.2
237.10164	5.8
238.10893	1.7
249.10246	6.2
250.11000	2.5
251.11824	11.9
252.12460	2.1
253.09668	8.5
261.10257	1.8
263.11755	1.6
265.09735	15.6
265.12619	1.6
266.10458	1.8
267.11249	5.0
272.82159	1.0
277.09778	3.2
278.07330	1.2
278.10510	5.2
279.07730	2.7
279.11237	16.9
280.11890	5.8
281.12820	1.6
287.13733	0.9
289.09659	1.1
291.11313	1.0
293.09201	5.9
293.12845	7.0
294.09995	2.9
295.10764	3.1
295.14352	2.1
296.11478	1.1
297.12354	5.7
301.21878	1.4
307.10788	2.2
308.11420	1.8
309.12341	6.7
311.10541	1.7
311.13763	1.4
312.11047	8.7
313.11786	2.6
323.13968	1.5
324.11008	4.0
325.11850	13.7
326.12424	1.2
327.13354	44.3
328.13837	2.3
335.10272	4.1
336.11111	1.3
337.11749	4.2
339.13385	85.3
340.13763	6.5
351.13568	1.4
353.11292	7.1
354.12192	1.9
357.14456	1.8
367.12885	71.0
368.13495	11.9
369.14636	5.3
385.13907	7.5
399.15500	13.8
400.16183	3.1
401.17007	1.4
458.17273	1.5
476.18350	4.5
508.20789	100.0
509.21042	9.5
526.21783	3.6
540.23438	73.1
541.23926	5.2
599.24951	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75528	0.3
55.14209	0.3
56.25107	0.3
58.02647	0.3
61.86425	0.3
65.03893	0.4
69.03421	0.4
69.07017	1.4
69.09989	1.0
69.10400	1.6
70.06557	0.3
81.30390	0.3
85.02877	0.4
87.04396	0.6
91.05449	0.8
94.06541	0.7
97.02845	0.5
105.07003	0.8
111.04440	0.5
117.06968	0.4
119.08584	1.9
120.04436	0.6
122.05972	1.6
124.07545	0.4
125.05914	0.4
133.10075	0.5
137.05899	0.8
138.09093	0.5
139.99199	0.4
140.07051	3.0
144.04425	0.5
145.10033	0.5
146.05942	1.6
147.04326	1.1
147.67542	0.4
148.07494	0.4
151.03886	5.2
152.07007	1.6
154.08565	1.0
156.10139	0.8
158.00023	0.6
169.04890	0.6
172.03864	1.4
174.05525	1.7
175.03992	0.4
176.07025	0.7
176.10690	1.0
182.75612	0.3
190.04990	0.8
192.06430	0.5
194.08058	1.6
196.09630	0.5
204.06502	2.2
206.08150	0.8
207.06458	0.7
209.10725	0.9
211.08534	0.4
222.11420	0.4
223.12265	1.1
224.09315	0.7
225.10222	2.4
226.10773	0.5
227.11691	1.6
235.08496	1.7
236.09395	1.3
237.10197	6.5
238.10942	1.8
239.08398	0.4
239.11743	0.9
240.12433	1.0
241.13170	0.5
248.09259	0.5
249.10251	5.8
250.10992	3.8
251.08145	0.6
251.08838	0.6
251.11771	9.3
252.08961	0.4
252.12450	1.6
253.09705	9.2
253.12573	0.6
253.13448	0.6
254.10179	0.4
261.10153	0.9
262.10843	0.9
263.08200	0.9
263.11752	1.9
264.08774	0.5
265.09705	12.8
266.10312	1.3
267.11288	5.4
269.12766	1.3
271.10794	0.7
275.08218	0.4
276.08920	0.8
277.09659	2.5
278.07065	0.9
278.10440	8.0
279.07684	2.6
279.11243	14.4
280.12021	3.8
281.09641	0.6
281.12891	1.6
282.10101	0.5
283.10883	1.8
283.14075	0.5
284.11267	0.9
285.12396	0.9
287.13855	2.0
289.09604	0.7
291.11191	1.0
291.57648	0.4
292.08011	0.5
293.09171	5.6
293.12805	6.4
294.09900	2.7
294.13324	0.8
295.10739	5.1
295.14368	2.8
296.11493	1.5
296.14636	0.4
297.12326	4.9
298.12955	0.7
299.13812	0.8
306.09973	1.2
307.10629	2.0
308.11481	1.6
309.08884	0.5
309.12271	7.0
310.12863	0.7
311.10236	2.8
311.13913	2.4
312.11011	11.2
312.14316	0.4
313.08633	0.7
313.09445	0.7
313.12082	3.2
316.14355	0.5
317.20944	0.9
321.12238	0.9
323.10312	0.5
323.13858	1.5
324.11011	3.7
324.14343	0.5
325.11810	11.0
326.12451	1.3
327.13364	57.5
328.13834	2.9
330.15872	0.7
331.16867	0.8
334.09351	0.8
335.10208	4.2
336.10944	1.5
337.11844	3.7
338.12228	0.8
339.13376	77.6
340.13849	6.6
341.14819	0.6
342.12305	0.8
343.12936	0.5
344.17453	0.6
345.14352	1.1
349.11612	0.7
351.13638	0.6
352.10468	1.0
353.11243	7.7
354.11841	1.7
358.15417	1.0
367.12872	65.9
368.13538	14.0
369.14456	3.0
379.11490	0.5
384.13309	1.4
385.13904	3.1
386.14410	0.6
386.18790	0.6
390.18243	0.7
398.15106	1.7
399.15518	12.6
400.16406	3.6
401.17191	1.0
416.16010	0.5
417.16754	1.0
418.17831	1.0
430.17383	0.5
440.15875	0.6
458.17224	3.3
459.17648	1.8
460.18741	0.8
467.20639	0.8
476.18271	1.3
480.21243	2.3
490.19876	0.7
508.20767	100.0
509.21011	6.9
523.19391	0.4
526.21796	5.0
540.23395	46.4
541.23883	4.3
581.23627	0.7
599.24988	11.8
600.25317	0.6
631.28363	0.7
663.15063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.0
56.05030	9.4
57.07079	2.2
58.99585	3.1
60.04519	2.5
67.05500	13.4
68.05027	3.5
69.03436	2.8
69.07063	8.1
70.02950	4.3
70.06596	3.5
71.04992	2.2
71.41000	1.6
72.08154	4.9
74.00671	2.2
76.02231	4.7
79.05482	12.1
80.05029	2.4
81.03424	1.9
81.07053	26.6
83.04971	7.2
83.08602	3.1
84.04499	54.6
84.17389	1.4
85.06566	3.1
86.00650	2.5
86.09713	7.5
86.37865	1.4
86.99043	2.2
88.02210	5.6
88.03989	49.6
88.04520	3.0
91.05474	13.1
93.07034	15.8
95.04994	2.1
95.08595	22.8
97.06548	4.5
97.10139	2.7
98.06126	1.7
99.08088	3.4
100.02224	2.0
102.05560	2.9
103.05474	2.0
105.00074	2.8
105.07026	22.3
107.08584	19.6
108.04491	3.1
109.06514	2.4
109.10148	12.7
110.06061	2.5
111.08055	2.1
115.07549	3.4
116.03469	2.5
117.07032	6.6
119.08575	22.1
120.08125	1.7
121.06533	6.2
121.10129	8.5
122.02721	18.6
123.08048	2.5
123.11736	5.0
125.07117	15.6
125.09637	2.0
126.05527	5.8
128.06262	1.9
129.06961	4.6
129.27473	1.4
130.05000	40.7
131.08559	20.0
132.01180	5.7
133.10104	13.3
135.08026	7.7
135.11684	9.5
137.04268	2.3
141.01880	1.6
141.06995	1.8
142.03209	6.8
142.07802	4.1
143.08546	12.8
143.10699	3.6
144.09288	2.1
145.10127	29.3
147.04482	2.4
147.08029	2.8
147.11678	14.4
149.09639	3.0
149.13235	7.9
151.07570	2.2
153.06633	2.9
154.04970	10.9
155.08528	5.7
156.09338	4.3
157.10115	16.0
158.10907	1.7
159.11676	17.6
161.09612	3.0
161.13237	8.2
163.07501	3.7
163.11159	1.5
166.08728	2.6
168.09396	1.8
169.06050	1.4
169.10168	7.7
171.07637	46.8
171.11659	19.0
172.04285	1.6
172.05981	2.4
173.09714	3.2
173.13248	23.2
174.13776	1.7
175.11205	2.0
175.14867	4.2
177.09181	4.6
177.12663	2.5
179.08928	1.6
183.11687	7.0
185.13269	16.4
187.11124	3.1
187.14825	11.1
188.03798	3.5
189.12726	4.7
191.10704	2.3
191.14296	2.9
195.11705	2.1
197.13176	7.5
199.07100	2.8
199.11182	3.5
199.14825	12.5
200.05562	5.7
201.12709	5.1
201.16437	2.8
203.10699	1.9
211.14897	5.9
213.12856	1.9
213.16406	4.2
213.73232	1.3
215.10651	2.6
217.08179	100.0
217.12209	10.0
217.15782	2.3
219.13824	2.0
225.12860	2.7
225.16362	2.9
227.17998	6.5
229.12202	4.5
229.19543	2.0
231.04393	2.7
231.13824	2.5
233.06000	3.1
234.04341	2.9
243.13759	2.3
249.05489	5.2
251.06969	20.0
253.17186	1.7
253.19475	9.1
255.21071	6.9
271.20496	8.8
273.22147	5.8
281.19095	2.0
289.21713	7.0
291.23221	7.2
299.19983	10.6
307.22632	11.0
317.21124	9.4
323.20322	2.8
336.16043	1.6
374.21738	2.1
392.22516	4.9
402.20853	1.9
410.23575	12.0
412.25290	5.8
420.22189	6.0
428.24557	2.4
430.26349	2.5
438.23026	12.4
439.22330	1.7
456.24078	47.5
456.30380	2.5
457.24142	3.4
474.25281	6.0
516.26361	12.9
521.26941	1.6
534.27319	14.7
539.27991	9.3
541.29364	5.0
567.27362	5.8
585.28418	48.9
586.29279	2.7
588.30780	1.8
603.29419	13.5
645.30542	35.9
646.30481	2.9
663.31586	48.0
664.31689	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	663.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.4
65.03939	0.6
67.05500	1.0
73.02937	0.5
78.68679	0.4
79.05483	0.5
81.07056	0.6
83.08611	0.4
87.04465	2.2
89.06044	2.2
91.05484	0.8
95.04951	0.7
105.07003	2.1
106.02993	0.5
111.04463	0.6
119.08603	0.5
132.79509	0.4
133.08629	0.8
149.02353	5.0
149.03419	0.8
150.02687	1.6
168.57263	0.5
193.04945	2.8
194.05356	0.5
243.08522	1.3
262.41599	0.4
347.55154	0.4
386.09747	0.8
404.10641	0.8
413.18146	0.5
427.25037	0.5
429.11963	0.7
430.12286	1.8
445.25629	1.7
459.15067	0.5
473.14688	1.4
474.14572	2.9
474.80908	0.4
478.41904	0.5
501.28162	2.2
561.21918	1.2
620.22925	0.6
621.24066	2.7
635.33990	0.8
663.33478	100.0
664.34039	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	664.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.92299	0.6
55.05500	1.5
59.38864	0.5
65.03936	3.0
67.05518	4.5
67.48193	0.7
69.03417	1.7
69.07065	2.7
70.36452	1.2
79.05476	2.1
81.03407	2.5
81.07042	4.8
83.04964	1.3
83.08606	1.3
85.02901	2.3
89.06075	0.6
91.05481	5.1
92.77138	0.6
93.03388	2.6
93.07055	4.7
95.04938	2.4
95.08606	8.0
97.02875	1.8
103.05436	0.8
105.07026	6.6
107.04920	0.8
107.08582	5.2
108.02116	0.7
109.02879	1.2
109.06497	1.5
109.10130	3.3
111.04443	5.1
111.08051	1.0
117.07004	1.7
119.08572	53.0
120.08897	0.7
121.10150	2.5
123.08047	1.3
123.11685	2.9
125.05997	3.9
127.03912	1.0
129.06999	0.8
131.08546	2.0
133.06502	0.8
133.10098	8.3
135.11668	1.5
137.09642	2.4
140.07047	1.0
141.05504	1.1
143.08521	1.7
145.10123	3.5
147.08078	1.4
147.10710	0.6
147.11668	3.4
151.03897	100.0
151.04901	4.3
151.11174	1.0
152.04231	2.1
155.08528	1.1
156.09285	1.4
157.10144	3.2
159.11681	7.8
161.09628	0.9
161.13248	1.1
169.04933	11.2
169.10086	3.1
171.11658	2.4
173.13234	2.3
181.10139	0.9
183.11665	3.5
185.13240	1.6
187.11087	0.9
187.14813	1.3
197.13289	4.3
199.14711	1.1
201.12854	1.0
201.16353	0.7
203.14178	0.8
211.11104	1.5
211.14807	1.5
212.25578	0.7
215.10677	0.8
215.18016	0.6
217.12276	1.0
221.13310	1.1
225.16389	0.8
229.12206	1.5
237.10168	1.0
237.16461	0.9
239.14314	1.4
239.17970	2.1
251.11879	1.3
252.12149	1.6
253.09634	1.3
253.19341	3.5
254.10112	0.7
257.15292	0.9
263.17941	1.6
265.09689	1.9
266.10052	1.3
278.10190	0.7
279.11035	1.7
280.11649	1.4
281.18970	5.1
293.12631	0.7
294.09726	0.9
294.12897	0.7
295.07999	3.8
298.12625	1.1
299.20023	11.6
309.12402	0.8
312.11057	1.1
313.09103	32.3
317.21085	19.9
318.21454	0.7
325.11847	1.5
326.12238	1.1
327.13269	5.3
328.13699	6.4
336.10623	1.2
339.13336	7.0
340.13663	7.4
354.11627	0.9
367.12933	5.4
368.13257	6.9
369.13763	1.1
399.15585	1.1
400.15887	1.3
450.25507	0.7
508.20715	5.2
509.14050	1.2
509.21078	15.9
540.23358	1.6
541.23627	7.2
567.92645	0.7
600.24994	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
57.07072	64.2
59.05008	1.2
62.22546	0.8
63.04039	0.7
67.05522	1.7
67.18098	0.8
69.03429	1.3
69.07043	0.8
71.05006	0.8
71.08643	0.9
73.02912	1.1
73.06555	2.5
77.03954	0.8
77.75741	0.7
79.05470	4.0
81.07095	0.7
85.02911	0.8
87.04462	23.1
89.06025	100.0
90.06386	0.8
91.05472	9.2
91.07599	1.1
93.07040	6.2
95.04964	4.2
95.08610	1.5
99.55765	0.9
103.05457	3.8
105.04523	1.6
105.07024	51.3
106.07368	4.1
107.04971	1.7
107.07079	3.3
107.08601	2.2
113.00041	0.8
113.13278	0.9
117.07012	2.5
117.09140	2.2
118.07784	4.7
119.04946	3.4
119.08568	7.1
121.06494	25.7
121.10095	1.9
123.08110	1.3
124.03959	1.6
127.01578	0.9
129.07092	1.2
130.08624	2.4
131.07037	11.0
131.08591	2.6
133.08598	70.9
135.08040	4.0
135.11650	1.8
139.01555	3.1
145.10178	1.2
147.08034	19.4
149.09622	3.5
149.13226	0.9
150.06770	3.8
159.11708	2.2
163.11221	2.1
165.09102	9.7
165.43056	0.8
167.10692	1.1
175.09659	5.9
175.11006	1.2
177.11217	28.3
177.12668	2.1
180.15132	0.7
191.10684	4.5
193.12291	1.8
209.09958	1.0
209.11639	5.8
211.13338	3.2
219.12289	1.7
221.13783	6.6
225.12691	3.1
233.18959	19.8
235.13315	2.7
239.14835	1.3
255.15878	1.7
259.20612	3.1
265.16425	1.6
277.21585	32.9
278.22067	0.8
279.15970	2.3
283.17691	1.4
297.17133	1.0
299.18509	1.3
303.23175	3.4
309.18900	1.1
321.24222	7.5
323.18036	1.1
327.20096	1.2
353.21689	1.4
359.81290	0.9
424.27042	0.9
535.31244	5.3
559.38416	1.6
603.40875	1.5
605.85828	0.9
647.43738	10.6
664.46295	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	666.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.1
58.86743	0.7
60.05667	3.5
66.38961	0.7
68.99801	1.5
69.24961	1.2
69.25367	2.6
70.06586	1.9
72.05630	2.9
81.03425	0.6
91.05472	6.3
95.04973	0.8
96.04499	0.9
103.05466	16.5
103.06110	1.3
105.03408	1.6
105.07030	0.9
121.06482	3.4
131.04924	53.3
132.05287	1.2
134.12048	0.7
136.35173	0.7
146.42885	0.7
147.04349	0.8
156.13837	0.7
157.06560	0.8
166.99796	2.1
168.02931	1.1
173.06026	1.4
174.05493	1.4
175.03883	1.2
179.25992	0.6
185.00865	0.9
190.05011	0.9
191.03317	0.8
199.03865	0.8
200.03433	2.1
201.01875	1.3
202.04956	1.0
203.08569	0.9
204.09454	0.8
214.04990	1.1
216.02939	3.3
217.01401	0.7
218.04492	1.7
219.02864	1.9
219.08107	1.0
220.06114	1.7
221.09767	0.9
224.03453	1.1
226.04921	1.0
230.04567	1.0
231.08087	1.5
232.05988	0.9
233.04472	0.9
234.03986	2.5
238.05051	0.8
240.06602	1.7
241.04866	1.4
242.04585	1.1
243.04074	2.2
244.04764	1.0
245.03343	1.0
245.05701	1.4
246.03996	1.0
246.09174	0.9
247.07651	1.2
248.05595	1.6
249.09163	1.9
259.03455	8.3
260.05603	2.0
260.08243	0.8
261.03757	3.2
263.07303	0.8
264.02759	0.6
266.04340	1.0
267.03998	1.9
268.02356	1.1
270.04239	1.1
272.06119	0.8
272.09097	1.2
274.08737	2.5
276.07782	1.6
276.10410	1.6
277.08621	1.5
279.04889	1.7
282.04050	0.9
284.05588	1.2
285.05121	2.0
287.06970	0.9
288.05206	0.7
288.10535	0.9
291.06485	1.4
292.02380	1.3
294.03900	1.0
296.05334	0.8
302.08182	2.7
303.06091	1.6
303.09222	1.4
305.08145	2.0
308.14114	1.1
310.03455	2.8
311.02219	2.0
312.05060	1.1
318.07590	1.4
320.08997	1.0
321.07263	1.1
325.04102	0.6
328.09680	0.8
329.08578	1.6
330.07178	1.0
335.02881	3.6
336.05252	1.3
338.02914	3.7
339.01437	0.8
341.08463	0.8
341.15118	3.7
356.04333	1.6
356.09109	1.3
357.07501	0.9
362.11090	1.2
363.02563	2.6
367.06049	0.9
367.10587	0.8
368.09219	0.9
369.07468	1.2
373.06824	1.6
381.03436	1.8
395.14597	1.3
396.08505	1.4
397.07535	1.5
399.08966	0.8
400.08191	0.9
424.08295	1.8
425.07095	1.2
427.13818	0.9
429.13681	0.9
442.09213	2.1
452.07153	1.2
467.08987	1.1
475.10229	1.1
485.09567	1.1
499.11380	1.7
502.11356	1.1
520.13287	1.2
527.10992	1.3
544.13464	5.9
545.12128	2.8
562.14581	12.4
563.14331	0.8
580.16016	3.3
589.14978	0.9
606.17719	4.0
607.16614	0.9
622.17407	1.3
631.17169	1.6
648.19672	8.5
649.18597	3.7
666.20770	100.0
667.21112	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	666.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56761	0.4
53.03918	1.1
55.01833	1.8
57.03408	0.9
61.02906	0.5
68.99754	1.0
69.03419	4.4
71.04941	0.8
73.02880	0.8
79.05462	1.2
81.03405	5.8
81.07003	0.6
85.02419	0.7
85.02896	9.0
86.67724	0.4
87.00829	3.9
91.05421	1.3
93.07014	0.8
94.04141	1.6
95.04942	0.6
95.08547	0.5
97.02886	3.4
98.23498	1.2
99.04400	1.6
103.05474	2.5
105.01877	3.1
105.07023	9.6
107.04939	0.7
109.02847	4.5
109.06480	1.1
111.04387	0.5
115.05450	3.0
118.04146	0.6
119.08545	0.9
122.03597	2.4
127.03906	8.4
127.84598	0.5
128.06161	1.1
129.01781	0.7
129.06952	0.9
131.04887	1.6
133.06477	6.6
137.05962	34.2
139.05345	0.6
143.04796	0.5
143.05931	0.5
145.04935	3.1
146.03595	4.3
147.07971	0.5
147.11543	0.5
149.05914	1.4
151.03891	0.5
153.58020	0.5
156.05629	0.8
159.02919	2.9
159.08009	0.5
161.05962	53.5
162.06410	0.9
163.07541	0.5
165.06880	0.5
167.04802	0.6
169.06474	0.6
171.08009	1.1
173.06047	0.6
175.07462	1.2
176.16455	0.5
179.08437	0.8
184.05186	1.6
187.07448	1.3
189.06851	0.6
190.07684	0.6
191.08496	2.1
192.09265	1.3
193.10030	0.6
194.07281	1.0
199.07520	8.2
202.07759	7.5
203.08533	15.4
204.09245	1.3
205.06448	1.4
206.07011	0.9
207.08043	0.9
208.08911	0.7
209.09497	0.8
215.08539	1.5
218.07368	0.8
219.07990	5.9
220.08801	6.9
221.06024	0.7
221.09460	0.8
222.06709	0.8
224.08229	0.5
230.07152	1.7
231.05090	1.5
231.08015	27.9
232.08768	7.5
233.05968	0.8
233.09483	1.2
234.06715	2.4
235.07448	2.1
235.11032	1.6
237.09033	2.4
245.09669	1.0
246.06909	0.6
247.07466	4.4
248.08284	14.9
249.09004	2.5
251.06839	0.6
251.10788	0.7
258.06693	2.0
259.07513	21.6
260.08270	15.2
261.05618	0.6
261.08905	2.0
262.09842	1.4
263.07169	0.8
263.10648	11.2
264.07666	0.8
264.10858	0.5
265.08542	3.9
266.09189	0.9
273.08966	0.8
275.07065	2.7
275.09930	0.4
276.07800	10.5
277.08456	3.9
278.09207	0.8
279.10077	1.7
280.10889	0.6
281.11670	0.8
290.09219	0.7
291.10117	73.3
292.10596	5.6
293.08170	2.3
294.72729	0.5
295.09763	0.8
295.13116	1.1
298.33035	0.5
303.10104	0.6
305.11691	0.5
307.09579	0.6
308.10400	2.0
309.11163	17.2
310.11688	1.4
311.09677	0.5
311.12811	1.9
321.11255	1.3
323.12741	100.0
324.13000	4.6
333.11081	0.7
335.12744	1.5
341.13821	18.0
342.14206	0.9
347.12692	1.1
365.13730	1.8
377.13596	0.5
383.15143	0.5
403.68579	0.5
535.15948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
57.47300	0.3
65.03937	4.0
65.08735	0.4
67.05502	1.3
69.03427	1.5
73.02922	0.4
81.03406	0.9
82.54344	0.4
83.04975	1.5
84.44083	0.4
84.44617	0.4
85.02903	1.3
87.00845	1.1
89.06026	0.8
91.05481	8.8
93.03397	4.5
95.04948	0.8
95.08616	0.5
97.02888	73.2
98.03227	0.7
105.07024	0.4
107.04961	1.2
109.02840	0.8
111.04447	1.8
114.05551	0.6
115.03935	0.5
115.05411	0.4
119.04937	22.5
121.02877	2.6
124.03928	1.2
125.02356	0.7
127.03944	1.3
128.06204	1.3
129.05493	0.6
129.06993	0.6
131.04930	1.9
131.08551	3.1
133.08621	0.7
139.03862	0.5
141.06989	3.2
143.08578	0.6
144.05670	2.1
145.06534	0.5
147.04401	100.0
148.04752	1.6
149.02350	3.7
151.03908	1.0
152.06190	0.6
153.07007	1.0
157.06461	2.0
158.07268	1.2
159.04387	0.7
159.08052	16.0
161.09647	0.4
167.03394	18.8
169.06451	5.5
169.07645	0.7
171.07993	2.0
177.05461	0.4
181.06450	0.4
185.05908	1.9
187.07530	7.6
195.93170	0.4
197.05965	7.3
215.07036	13.7
225.05508	0.7
243.06534	3.6
261.07571	39.4
262.07928	0.6
279.08682	5.6
295.07959	0.5
345.08011	0.9
395.09842	0.5
452.04721	0.4
491.11533	0.6
527.14063	4.8
666.22089	0.6
666.38391	0.6
667.22217	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44910	1.7
55.05502	4.4
60.24285	1.7
65.03921	2.1
67.05495	7.5
68.79929	1.8
69.03438	2.3
69.07057	4.0
69.47111	6.5
70.45203	1.8
73.02912	2.2
79.05483	9.8
80.05488	1.6
81.03407	11.7
81.07039	7.3
83.04977	3.6
89.06026	5.6
91.05488	14.3
93.07040	14.0
95.04948	6.0
95.08611	10.6
97.02905	5.0
97.06517	3.1
99.67565	1.9
105.07017	39.2
107.08598	16.6
109.06509	3.8
109.10165	3.7
111.04445	16.6
111.08103	1.9
115.07573	29.7
117.07010	6.2
119.08562	29.2
121.06493	6.5
121.10121	10.7
127.03907	13.2
128.06207	3.2
129.06932	5.7
131.08546	15.3
133.06470	2.4
133.08600	4.4
133.10130	20.3
135.08061	2.5
141.06966	3.7
142.07718	8.6
143.07031	4.8
143.08557	14.5
144.09317	4.3
145.10117	32.4
147.08014	4.4
147.11725	9.6
151.07564	3.5
153.06943	2.4
155.08580	9.9
156.09317	7.5
157.10106	22.9
158.10887	3.3
159.08003	3.6
159.11703	19.3
161.09634	5.5
161.13301	2.4
163.11296	2.0
165.07005	6.1
167.08549	4.3
168.09302	4.3
169.10129	14.5
170.10945	10.2
171.11668	20.3
172.12460	3.9
173.09615	6.9
173.13226	17.0
175.11180	4.9
179.08551	5.3
180.09311	2.8
181.10086	12.7
182.10921	7.5
183.11682	35.0
184.12022	1.8
185.09584	6.4
185.13217	10.7
187.11180	8.4
187.14822	29.6
188.11897	4.1
189.09119	3.0
192.09233	2.7
193.10136	12.8
194.10866	4.9
195.07941	1.9
195.11665	14.9
196.12480	6.1
197.09572	3.3
197.13258	26.7
198.14009	16.1
199.07498	2.8
199.14725	4.8
201.09087	4.3
201.12704	5.3
203.14302	13.8
205.15913	3.9
206.10909	6.1
207.11664	19.3
209.13264	12.2
210.14011	3.1
211.11162	6.0
211.14792	10.2
213.09064	2.9
213.16426	2.1
215.10738	4.0
215.14316	9.0
216.15010	4.5
219.11687	7.0
220.12434	8.9
221.13239	11.4
222.13963	3.0
223.14742	9.7
225.09120	2.5
225.12715	5.5
225.16327	4.3
229.15901	2.4
234.13974	8.1
235.11212	3.6
235.14870	12.4
239.10649	4.9
239.14328	4.7
239.17924	6.0
241.19504	2.0
249.16371	22.4
251.14214	3.5
251.17941	5.3
253.12126	8.8
253.15852	5.9
262.13583	3.3
267.13803	3.3
267.17407	14.3
271.16827	5.0
277.15918	11.5
283.17056	3.2
285.18396	9.8
295.16901	88.0
296.17273	3.3
300.10101	1.9
311.16504	1.8
313.17950	100.0
314.18280	7.4
315.66898	2.0
331.18973	7.9
331.22726	2.0
355.19000	13.2
373.20132	5.1
395.46625	1.9
669.58893	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	100.0
60.05328	0.9
69.08809	1.0
69.09217	3.8
73.02911	2.3
73.06552	6.1
84.08157	1.0
85.07594	0.6
87.04464	20.0
89.06028	79.7
90.06392	1.2
103.07577	80.2
107.07080	1.1
117.09136	5.4
131.07037	3.4
133.08600	50.0
144.81093	0.7
147.10156	33.3
161.11740	1.5
169.19092	0.7
175.09689	2.1
177.11201	16.7
191.12851	2.0
207.06654	0.8
207.40927	0.7
219.12344	1.8
221.13889	2.7
248.77705	0.7
287.05453	0.7
351.88083	0.7
449.33203	0.8
454.52069	0.8
536.46619	0.6
649.40088	1.8
666.42297	2.8
667.16577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.4
60.63728	0.6
67.05492	0.8
67.32100	0.5
68.99783	0.8
69.03409	0.8
69.08218	4.1
70.06583	5.1
79.05473	1.4
81.03408	0.9
81.06998	1.0
85.02865	2.3
91.05483	2.9
95.04923	1.5
97.02876	1.0
97.06516	0.8
103.05460	1.6
107.04935	1.9
109.02800	0.8
111.04385	0.6
119.04899	2.2
123.04427	0.9
125.05977	1.5
127.03902	0.7
131.04906	5.5
135.04372	0.9
137.05920	1.4
147.04393	3.5
151.00288	0.6
151.03870	1.9
153.05418	0.8
163.03940	0.7
165.01828	0.8
165.05405	1.4
169.01312	1.1
169.05037	0.6
175.03871	5.5
177.05357	0.9
179.03333	1.5
180.04007	0.7
181.01294	1.7
181.04936	1.3
193.01341	0.6
193.04941	8.1
195.02869	5.7
195.06487	0.7
199.02397	1.1
203.03360	3.3
207.02834	0.8
209.04616	3.0
209.06522	0.8
211.02271	0.7
220.06035	1.5
221.04424	92.1
222.04738	2.3
238.07069	5.7
238.18030	1.4
239.05424	5.3
239.10594	0.8
267.10141	0.6
269.08099	0.8
279.10147	0.8
279.13824	1.0
282.12473	0.9
283.09616	3.6
283.12912	0.7
285.07565	0.8
289.08588	1.0
295.09915	0.9
297.11346	1.2
299.09122	1.6
299.12671	0.7
307.13232	1.2
310.12064	1.9
313.10510	2.1
325.10632	9.7
325.14368	4.0
328.09286	0.6
328.13025	3.1
332.75012	0.6
340.11755	1.2
341.12607	1.8
342.13324	100.0
343.15503	20.2
432.19952	0.6
590.97003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24950	0.6
81.03431	0.6
82.80384	0.5
83.81184	0.5
111.86647	0.6
135.66464	0.6
144.04201	0.8
145.04980	0.7
188.06749	3.7
190.04715	0.6
235.12314	2.9
289.09549	1.3
293.12646	2.1
302.10251	0.8
303.10950	1.2
304.11807	1.1
311.10129	0.5
311.13614	11.2
315.10986	1.4
316.11847	2.0
317.12506	0.8
319.10809	0.8
319.14413	0.6
347.10016	2.4
348.10764	2.0
349.11572	2.9
359.10107	1.4
360.10757	4.8
361.11624	2.1
379.12445	1.5
382.18893	1.9
388.19977	0.7
396.16934	0.7
410.18481	1.5
438.17728	1.4
440.19452	0.9
454.17349	1.8
464.16003	0.7
468.18875	3.4
469.19742	1.3
472.18494	4.5
484.18878	0.8
485.19089	1.8
512.17627	1.6
513.18628	6.2
514.19165	2.3
575.32977	0.8
591.25830	6.8
607.24152	0.9
635.24695	100.0
636.25122	8.5
667.27673	27.6
668.27094	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	667.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94774	0.6
59.51589	0.6
69.59704	1.3
69.60082	1.2
69.79001	0.5
72.07248	0.5
79.05445	0.5
81.07065	0.7
81.92430	0.5
83.38069	0.5
84.92510	0.5
91.05495	0.7
95.08633	0.5
98.22737	0.8
114.63065	0.5
189.97191	0.6
357.79749	0.6
411.28613	10.3
546.78107	0.6
667.52631	100.0
668.52911	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	669.1658
Annotation	Dillenetin 5-glucoside-7-glucuronide
Peak:m/z	Relative Intensity
57.03406	0.3
59.64251	0.2
60.05651	0.2
62.06086	0.2
69.03427	0.7
71.01344	0.5
71.40544	0.2
72.98620	0.2
73.02927	1.0
81.03401	0.4
85.02904	2.7
95.01334	0.2
97.02895	0.4
101.02315	0.2
113.02363	0.3
130.44679	0.2
131.03378	0.3
134.03621	0.7
135.04431	0.2
136.01479	0.2
137.02357	0.5
152.00980	0.4
153.01799	0.6
154.02618	0.4
161.02335	0.3
161.35645	0.2
165.01816	0.3
178.02548	0.3
181.01314	0.5
182.02069	0.7
197.04445	5.2
197.06218	0.4
198.01443	0.2
200.03165	0.3
235.93001	0.2
241.04781	0.3
242.05765	0.2
252.04216	0.3
253.05176	0.3
269.04495	1.3
270.05234	7.8
271.05682	0.3
273.03970	0.6
273.52686	0.2
285.03867	0.8
286.04791	0.3
287.05447	4.6
297.03827	1.2
298.04721	5.9
299.05325	1.0
300.06033	0.2
301.03558	0.3
302.04263	0.4
309.03729	0.3
315.04971	4.4
316.05756	7.9
317.06427	0.7
331.08093	100.0
332.08429	3.3
341.06485	0.9
348.73257	0.2
355.07941	0.3
507.11368	11.9
508.11383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77399	0.2
55.01867	0.2
57.03448	0.3
61.02924	0.3
64.02711	0.2
69.03429	0.5
69.14012	0.8
69.14422	0.7
70.06631	0.2
70.25386	0.2
71.01356	0.4
73.02914	0.5
73.21328	0.2
76.39272	0.2
81.03410	0.2
85.02907	2.5
97.02876	0.8
100.07610	0.2
113.02359	0.3
113.43188	0.2
127.03936	0.2
131.04942	0.4
131.11227	0.2
134.03595	0.4
136.01566	0.3
137.02315	0.6
139.00432	0.2
141.01791	0.4
151.03893	0.4
177.05490	0.5
181.01270	0.4
197.04488	1.5
241.04701	0.3
242.05724	0.4
270.05209	15.7
271.05637	0.3
273.03934	0.6
285.03918	0.6
286.04742	0.5
287.05447	3.9
298.04691	19.3
299.05313	1.2
301.03381	0.7
315.04950	3.7
316.05756	8.8
331.08084	100.0
332.08496	3.0
507.11343	13.7
507.17722	0.2
508.11407	0.8
678.90149	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	669.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97535	0.5
53.03925	0.8
55.01858	0.7
56.23362	0.5
60.05619	2.2
65.03915	1.6
67.37538	0.5
68.05004	2.5
68.99792	5.6
69.03402	1.6
69.05788	1.1
70.06590	29.2
71.04984	0.8
71.42930	0.6
72.05610	0.8
72.08108	1.0
73.06387	1.5
79.05486	0.6
80.05004	1.5
81.03417	3.9
85.02875	1.2
89.03881	1.0
91.05474	20.2
95.06065	0.8
96.04475	3.1
97.02829	0.9
97.07607	0.6
99.04404	1.0
103.05482	2.6
105.06995	2.3
107.46138	0.5
108.04459	0.6
109.02848	1.5
110.07098	0.8
112.08725	15.3
114.10301	5.4
117.03338	0.7
118.04179	0.7
119.04935	31.1
120.05242	0.7
121.02847	1.4
121.06511	0.9
122.06005	1.0
123.00722	0.7
127.03878	0.6
129.03357	0.7
130.09760	4.0
131.04926	5.1
131.12914	0.5
131.58569	0.5
132.02089	1.0
135.04408	0.7
137.05959	0.9
139.00235	0.7
140.01006	1.0
141.34676	0.5
145.02812	0.8
147.04401	25.4
148.03810	0.7
149.02332	0.9
149.17418	0.5
150.05461	1.2
151.03883	1.1
153.01820	2.1
157.03981	3.7
160.94359	0.5
162.05490	1.1
163.03922	1.4
165.05453	1.3
166.99718	2.4
168.00507	6.5
169.01308	0.8
175.03896	44.7
176.03340	1.5
177.01761	0.5
177.05350	0.9
179.07063	2.4
183.02885	5.8
185.00801	10.1
186.01584	4.0
190.04970	3.2
191.03403	0.8
192.04260	0.7
194.04503	1.2
199.02348	0.8
207.06512	100.0
208.06824	2.0
209.04527	0.7
210.08861	1.0
218.04477	22.8
219.02853	1.5
225.07573	0.6
236.06729	0.7
255.06161	0.9
258.05225	1.6
260.06644	1.2
261.45123	0.5
264.75558	0.6
268.03485	0.8
269.04605	0.7
271.05991	6.8
278.07678	10.3
279.10349	0.6
285.03854	0.8
286.04697	19.9
286.07843	1.2
287.05252	1.1
293.08014	0.7
296.08990	0.9
299.05426	4.1
300.06061	7.1
301.07031	84.4
302.07178	5.0
320.09268	0.6
322.10748	8.8
338.10379	0.6
339.11298	0.7
340.11877	3.2
351.10742	7.4
356.11090	0.9
364.12921	1.2
369.11615	4.2
380.12405	0.8
382.13953	39.9
383.14368	1.0
398.13333	4.7
400.14688	0.8
633.18384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78510	0.6
60.05645	3.0
67.05493	0.9
68.05027	8.2
68.99791	13.9
69.00894	0.8
69.03410	0.8
69.05815	3.9
69.11429	0.8
69.11828	3.7
70.06592	71.5
71.04984	1.1
71.06931	0.9
72.08140	1.2
73.06420	0.9
79.05494	1.7
80.05004	3.3
81.07053	0.7
83.06116	0.7
85.02917	0.7
86.03550	2.2
87.17146	0.6
87.60598	0.6
91.05487	2.6
94.02921	1.8
94.06575	0.8
95.04991	1.2
95.06120	3.1
96.04490	9.9
98.03561	0.8
103.05460	1.5
103.79961	0.7
104.04949	0.9
105.01859	1.0
105.03391	1.3
105.07022	3.8
106.06564	0.8
107.04942	1.5
108.04498	2.5
110.07151	1.7
111.07942	1.6
111.67876	0.8
112.08725	54.3
113.09093	0.8
119.04940	2.5
120.04453	1.3
121.06507	3.8
122.06025	2.8
123.04450	1.8
124.05100	1.4
125.08286	0.9
125.09569	0.7
126.05525	1.1
128.08255	0.9
130.09755	2.8
131.04947	7.9
134.05994	2.0
137.05974	1.7
139.00276	2.0
147.04424	7.2
148.03951	1.5
149.05934	0.8
150.05499	4.6
151.03889	2.0
154.06105	0.9
161.81131	0.6
162.05519	2.4
163.03917	1.7
165.05464	5.3
166.01422	0.7
166.99742	7.0
168.06584	1.4
169.01282	1.4
174.05513	2.0
175.03889	6.5
175.05148	0.7
176.03398	9.8
177.01797	1.2
178.01402	1.1
183.04491	0.8
185.00810	27.6
190.04955	8.2
190.06395	0.7
191.03439	1.7
191.05780	2.6
192.06522	1.4
193.04929	1.5
194.04425	3.3
207.02914	2.7
208.06003	1.5
209.04422	1.0
210.08752	4.6
210.10460	0.7
217.06039	1.1
218.04482	75.4
219.02907	5.2
219.04982	2.5
232.07224	1.5
234.08723	0.7
235.07213	0.9
236.05559	3.1
236.06607	2.7
243.04057	1.9
250.08629	0.9
252.09827	1.2
254.06705	0.9
259.05981	0.8
260.06693	5.8
261.05112	1.1
270.05246	2.1
271.05991	14.9
273.07684	1.2
278.07718	53.8
279.07861	1.5
279.10501	1.5
280.09988	1.1
285.07495	4.1
287.05505	7.0
293.07980	3.1
295.09622	0.9
295.39993	0.6
296.08871	4.6
301.07086	0.7
309.07553	1.9
322.10715	20.9
323.11615	1.6
338.10031	3.8
339.10880	1.9
340.11734	7.1
347.10324	1.0
356.11203	2.8
364.12885	4.2
380.12326	2.0
381.15259	1.0
382.13965	100.0
383.14301	4.1
397.15024	2.3
398.13446	49.8
399.13510	1.5
475.13757	1.7
547.14697	1.4
592.15240	1.2
605.58820	0.8
633.19385	1.5
651.20532	1.5
669.35223	3.4
693.93555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05645	2.8
68.04709	1.2
68.05033	13.8
68.99789	16.9
69.05782	3.7
70.06591	100.0
71.05008	0.8
71.06919	0.9
72.04064	0.7
72.05633	0.7
73.06422	3.3
79.05466	1.3
80.05009	5.7
85.30553	0.8
86.06098	0.8
91.05472	1.2
94.02921	0.9
95.06139	1.7
96.04480	7.2
97.02901	7.7
98.22717	2.0
99.07977	0.8
103.05466	2.4
105.03398	1.1
105.07034	8.3
108.04485	2.6
110.07158	1.5
111.07963	1.2
112.08724	47.8
119.04929	1.0
121.06511	1.9
122.06001	2.0
123.04403	1.2
128.08252	1.3
130.09753	7.2
131.04904	8.2
134.05975	1.0
139.00258	2.5
148.03911	1.1
150.05498	2.8
151.03912	5.3
162.05502	3.2
163.03783	0.7
165.05434	0.8
166.01385	1.2
166.99754	11.7
168.06445	0.8
169.01323	2.1
172.04129	0.8
175.03848	1.4
176.03424	5.8
177.01898	1.3
178.01361	1.0
185.00806	36.2
189.01720	1.2
190.01355	1.0
190.04990	8.8
191.03372	1.1
191.05713	1.4
194.04497	1.7
207.02936	3.1
210.08664	1.2
218.04469	88.4
219.02856	3.4
219.04860	1.6
232.07149	1.1
236.05589	1.0
236.06644	1.1
243.04080	1.2
243.06509	2.1
247.05920	1.2
271.06006	30.7
272.06250	1.5
278.07724	15.1
280.09747	1.9
287.05472	2.4
293.08084	7.2
294.10849	0.8
296.08875	1.8
322.10727	38.3
323.11389	1.7
338.10345	1.0
339.11316	1.2
340.11798	29.4
341.12161	1.0
356.11218	1.2
364.12909	3.1
380.12802	0.9
382.13956	86.6
382.80396	0.8
383.14359	3.8
397.14941	1.6
398.13477	7.0
400.14648	1.1
592.15558	1.2
651.20215	1.1
652.19086	1.1
669.28137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03937	1.1
53.82552	0.4
55.01868	2.0
56.05019	0.7
58.99576	1.1
62.06427	0.4
65.03929	3.2
67.05500	0.9
68.49046	0.4
69.18126	2.6
70.06592	0.5
72.08160	0.5
75.04475	3.5
76.02225	1.2
77.03920	1.1
78.04708	3.8
79.05074	0.4
79.05479	2.6
81.03442	0.5
83.06101	0.5
83.43636	0.4
84.04020	0.8
84.04501	10.9
85.02911	3.2
86.09689	0.5
86.99011	0.6
89.03909	1.2
89.06044	0.6
91.05472	14.0
93.03400	13.1
93.04007	0.5
93.07040	5.6
95.04958	8.0
97.06519	3.6
100.77547	0.4
103.05463	6.6
105.00101	1.0
105.03360	0.7
105.04508	1.9
105.07018	1.0
106.04164	31.8
107.04986	2.1
108.05732	0.9
109.06510	0.9
117.03355	1.4
118.04112	0.7
119.04932	1.2
121.06496	33.5
122.02718	10.4
122.03542	0.7
123.02634	0.6
123.04420	0.8
123.08059	1.2
124.05194	0.8
125.05978	9.5
130.04109	0.6
130.04996	6.3
131.04919	1.7
131.05991	0.4
133.06465	1.0
134.03603	4.3
135.04395	1.0
137.05951	4.4
138.06741	1.6
139.07515	1.8
142.03238	1.4
145.02814	1.7
147.04385	0.7
148.05168	2.9
149.05965	44.0
150.06250	1.2
151.02094	2.0
151.03951	0.6
151.07541	2.2
152.08267	0.8
153.05464	2.0
153.07829	0.7
153.09088	12.8
153.10275	0.9
162.01285	0.8
163.01950	0.6
163.03938	1.3
163.07480	2.4
165.05414	0.4
166.06270	1.4
167.07019	4.4
173.06235	0.4
177.05457	22.0
178.05750	0.7
179.01595	1.6
181.03209	0.7
181.08578	19.8
182.09242	0.5
188.03752	1.4
190.00790	1.2
191.07030	3.3
193.08652	0.6
207.06624	0.5
207.08827	0.7
208.01926	0.5
209.08070	100.0
210.08563	2.8
213.05637	0.5
223.04199	12.0
234.04317	1.8
234.64629	0.4
249.05420	1.4
251.06949	28.5
300.08990	0.9
302.04291	0.5
312.08951	2.4
313.25226	0.4
401.15527	0.6
429.13251	1.7
441.04419	0.4
441.13040	1.2
541.99213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74776	0.5
60.05647	6.5
62.31212	0.6
68.05016	0.8
68.99784	1.3
70.06587	100.0
71.06931	0.8
72.05642	2.3
82.05305	0.7
83.06101	2.8
84.05637	1.4
87.07966	0.5
87.63164	0.4
91.05511	0.8
93.03407	0.8
94.06551	1.2
95.04932	0.8
95.06087	0.9
96.04499	0.7
98.07150	2.7
103.05463	2.6
105.03416	0.6
107.04912	0.7
108.86526	0.4
109.06513	0.5
110.02398	0.6
111.03218	0.5
112.08720	17.4
117.16508	0.5
121.06458	0.6
122.06041	1.3
130.09769	0.7
131.04910	6.6
131.05800	0.8
136.08710	1.7
138.01848	7.2
150.05582	0.5
162.05487	1.2
163.03886	1.4
165.01880	2.1
166.01343	8.1
167.02165	1.1
168.02937	0.8
170.64183	0.5
176.03459	0.7
177.05460	1.7
180.02875	1.0
183.02832	0.9
184.02455	1.5
185.00827	1.3
190.01346	2.4
190.04921	2.9
191.03410	1.3
191.05714	0.8
191.09232	0.5
204.02910	0.9
204.06517	0.6
205.03055	1.2
205.04929	14.4
205.06787	0.9
206.05371	0.6
208.03542	1.6
208.06097	1.6
215.04578	1.1
218.04453	4.9
219.05264	4.7
225.05496	3.7
230.04593	1.6
232.07060	0.6
236.05692	1.4
237.06287	2.4
242.08163	1.4
243.04053	1.4
247.07185	1.6
248.05545	0.8
260.06573	3.4
264.09924	1.0
267.10852	2.1
269.08273	1.0
270.07681	2.2
276.10498	0.6
277.09177	2.7
278.07809	1.5
282.07559	0.6
284.09192	0.7
290.80798	0.5
308.09808	1.0
309.11172	1.2
320.09637	0.6
322.10818	1.4
323.11478	5.1
334.10760	1.8
351.13593	1.6
364.13007	1.5
368.16000	20.7
369.16617	1.3
380.12189	0.9
381.15500	6.8
382.16772	7.0
398.13281	2.7
525.13727	0.6
548.38507	0.5
574.18488	0.8
619.21368	0.9
620.20184	1.7
637.22894	65.1
638.23114	5.8
651.21698	0.7
669.23328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2913
Annotation	Agrimol G
Peak:m/z	Relative Intensity
52.48348	0.3
67.05505	0.5
68.62180	0.3
73.02920	1.6
76.24494	0.3
78.73976	0.4
79.05497	1.4
80.05030	0.4
81.07048	0.6
83.91805	0.4
87.04458	4.3
89.06014	2.8
91.05482	1.0
93.07051	0.6
95.04984	1.0
98.23620	0.4
98.98478	1.2
103.05467	0.8
105.04527	0.4
105.07021	22.6
106.07346	1.9
119.08590	0.5
119.79417	0.4
121.06511	1.5
124.99995	3.4
127.01559	0.4
129.04262	0.4
131.08540	0.6
133.08615	1.0
133.10164	0.4
139.01547	0.8
147.07990	2.0
151.05638	0.4
169.02617	0.5
173.06984	0.6
174.11295	1.3
177.11287	0.5
201.84361	0.4
223.08739	0.4
225.12805	0.9
229.25285	0.4
252.82228	0.4
280.64398	0.4
300.26028	0.4
340.14465	0.4
377.17783	1.0
379.19214	1.0
390.18524	0.6
391.19101	1.7
393.20850	1.7
404.20453	0.5
405.17160	1.7
405.21320	1.0
406.17810	1.2
406.22150	0.6
407.17871	0.6
407.22650	3.9
408.23050	0.9
418.17636	1.0
419.18427	3.7
420.18988	2.2
421.20340	3.4
423.21753	0.8
433.15121	0.7
433.20297	12.5
434.16113	0.4
434.21088	4.9
435.21899	5.5
436.22394	1.1
445.20163	0.6
446.21017	1.2
447.17395	0.9
447.22015	1.7
448.18619	1.2
449.19455	6.4
450.20224	0.5
461.19629	1.5
462.20441	1.5
463.21201	4.2
464.21960	1.3
465.23059	0.5
475.21521	0.7
481.22528	0.6
493.22223	1.5
495.24033	1.6
505.22379	1.4
506.22757	0.5
507.20190	0.5
507.23727	0.4
508.21039	1.4
509.21643	1.2
520.24609	1.3
521.25970	7.2
522.22400	4.1
523.23230	4.2
535.23346	1.6
536.23401	0.6
548.24658	0.5
549.24835	4.4
550.24878	0.6
551.26746	0.7
565.24573	1.2
567.22015	2.0
579.26001	1.7
580.27106	1.0
581.26129	1.5
582.28656	0.5
591.25787	0.8
609.27020	16.2
610.27466	1.5
623.26080	0.5
625.26636	0.6
651.27765	0.9
669.29089	100.0
670.29431	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	669.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
58.46220	0.6
59.04993	1.9
63.76722	0.6
73.02916	3.4
73.06551	2.5
75.04488	0.7
77.03923	1.0
79.05463	3.7
80.05479	0.7
81.07057	1.1
84.05972	0.7
87.04459	23.6
88.04777	1.5
89.06019	12.3
89.06529	0.9
91.05484	2.9
92.42218	0.7
93.07033	1.0
95.04960	2.7
103.05464	4.1
103.07574	0.8
105.03450	0.8
105.07018	70.4
106.07358	5.0
107.08644	0.8
112.99988	5.0
113.68198	0.7
114.03735	1.5
117.09138	1.7
119.08613	1.8
121.04614	1.0
121.06470	4.6
126.83625	0.7
127.01546	5.3
129.07054	1.1
131.07045	1.1
131.08557	1.9
133.08589	5.8
136.05098	1.9
139.01529	13.6
143.05835	0.8
146.94342	0.7
147.08044	8.4
149.09665	1.2
153.03081	5.7
158.06386	2.9
163.07512	0.8
165.07217	0.7
167.06995	0.8
175.09639	0.9
177.11252	3.0
180.07608	0.9
183.04195	2.4
187.03520	0.6
187.08475	1.3
197.05804	1.0
202.08963	1.2
223.11270	1.3
225.12811	2.9
229.93832	1.2
249.12819	2.4
249.40863	1.0
250.13152	0.8
251.14311	0.9
271.09366	0.8
327.17590	1.0
334.48730	0.8
335.26157	0.7
377.17520	1.0
389.17728	0.8
391.19208	1.3
393.20929	3.1
405.16946	2.3
405.21469	1.8
406.21939	1.7
407.18283	1.0
417.54605	0.8
419.18747	2.3
420.19385	2.5
421.20038	6.4
422.20627	0.8
433.20535	1.4
445.20355	0.9
447.18146	2.7
448.19073	2.9
449.19601	4.6
460.19406	0.7
461.19934	2.6
462.20645	1.5
477.19217	2.7
479.24985	1.0
489.19470	2.4
490.19739	1.0
491.20770	2.0
493.22452	0.8
503.20685	1.4
504.22021	1.0
507.24231	3.3
522.22626	1.1
535.23303	8.9
549.24921	3.1
559.23535	1.3
563.22717	16.6
564.22626	1.5
567.25580	1.3
577.24512	4.1
578.24744	1.0
581.27698	1.1
591.22125	0.7
595.25677	3.0
609.26855	4.1
623.24805	4.4
626.54944	0.7
637.26794	1.5
641.29590	2.1
669.29077	100.0
670.29230	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	670.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53808	1.2
54.33073	1.3
54.74121	1.2
56.05042	1.4
60.05653	9.6
68.05024	18.2
68.99789	23.8
69.03432	2.3
69.05815	6.1
70.06593	60.3
71.04993	3.7
72.05646	9.4
73.06422	78.9
79.71156	1.3
80.05031	2.9
83.06108	1.5
83.68336	1.4
84.06870	1.8
86.03551	5.0
86.06096	3.1
87.07985	2.0
91.05479	1.8
95.06098	3.3
96.04493	36.1
97.02928	2.7
97.84423	1.4
98.06075	3.5
98.07185	1.9
103.05472	24.2
105.07028	16.1
108.04436	1.7
110.06002	2.2
110.07214	2.6
111.05554	1.4
111.07935	10.4
112.08725	59.5
113.09126	2.6
114.05544	2.9
120.04474	2.4
128.08211	9.6
129.08987	12.7
130.09758	33.9
131.04926	100.0
131.10146	1.8
138.06590	1.6
139.00258	4.7
139.07458	2.0
150.05438	1.7
155.04961	2.1
156.07736	3.4
165.01889	1.7
166.04979	2.0
166.99763	14.7
169.01387	2.3
175.03804	2.6
176.03474	5.0
185.00818	56.9
186.01170	2.4
190.04942	3.5
191.03429	1.8
192.02876	3.0
194.04651	1.7
194.99275	5.9
199.03883	7.2
207.02956	1.5
209.00903	1.9
210.08749	1.7
213.00308	10.7
215.07074	3.7
217.03569	3.5
218.04468	58.8
218.99232	2.3
219.02846	2.7
219.04794	5.0
220.06107	1.8
221.00891	5.4
228.03297	1.5
235.02467	2.6
236.05568	2.2
237.00388	4.2
241.04967	8.3
243.06508	2.9
244.02429	7.8
246.03934	7.7
246.98682	9.0
248.05493	3.3
253.04947	1.8
254.04639	1.5
259.05533	1.4
262.03513	4.1
262.08093	2.0
264.99756	8.1
270.04010	3.0
271.06000	83.9
272.06320	3.4
273.07565	2.2
278.07855	11.2
278.10779	2.1
290.07947	6.9
293.08047	2.2
296.08737	2.3
298.03418	4.4
299.05472	6.4
304.05676	2.6
314.02805	1.6
316.99359	2.2
321.10046	1.9
322.06860	2.4
322.10721	47.7
323.05527	2.4
323.11194	2.2
332.98691	2.5
338.02930	2.3
339.10907	2.4
340.04694	2.0
340.11884	20.9
341.06851	2.2
341.11972	2.2
348.08664	3.4
351.05051	4.5
364.12711	2.1
366.02542	4.2
380.12579	1.6
381.13104	15.9
382.13977	72.9
383.14346	6.8
384.03424	2.1
398.13556	2.9
399.14075	4.3
400.15005	28.2
402.09766	1.7
419.04120	2.1
437.04877	4.2
444.10950	2.8
452.07562	1.5
470.08817	3.0
488.09763	3.3
497.12177	3.2
507.10513	1.9
523.10284	4.1
525.11688	3.3
530.11938	2.8
541.11334	38.0
543.12799	3.1
548.12207	2.6
574.14868	2.4
592.15955	48.4
593.16089	3.2
608.19568	2.0
610.16913	13.6
634.18237	3.9
652.19336	38.1
653.19116	3.5
670.19922	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	670.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87291	0.9
53.72958	0.9
57.05431	1.0
60.05631	1.6
64.20389	0.8
66.29002	0.9
67.05511	1.1
67.38544	0.9
68.05029	1.9
68.99796	4.2
70.06599	14.6
71.04996	3.1
71.67488	0.9
72.05631	1.5
73.06425	4.0
79.05499	3.6
80.05021	3.5
81.03399	1.1
81.07043	0.9
91.05483	2.9
94.04221	1.0
95.01299	1.3
95.04963	4.0
96.04488	2.7
97.02952	1.0
97.41305	0.9
98.06063	1.2
98.23443	2.1
103.05473	19.0
103.06166	0.8
104.05824	1.0
105.03400	1.1
105.04504	1.1
105.07030	1.4
107.04945	2.3
108.04509	1.5
110.02405	1.3
110.06065	1.8
112.08725	6.1
117.03403	1.1
117.07039	1.2
119.05013	1.3
120.04450	3.4
121.06490	1.2
122.06075	1.2
130.09778	2.3
131.04930	46.7
132.05273	2.2
132.08083	1.4
133.06483	1.0
135.04411	3.2
136.03938	2.0
137.02301	1.1
137.06003	1.5
139.03917	2.2
144.08101	1.3
145.02852	1.9
146.05937	1.2
147.04446	3.8
148.03923	7.8
150.05524	1.3
151.03864	1.4
153.05508	1.1
158.06032	3.3
160.07600	2.0
162.05467	1.4
163.03923	2.4
164.03448	1.1
165.01894	1.1
165.05484	2.3
168.02951	3.7
172.07561	4.6
173.06009	5.4
173.08368	1.3
174.05522	1.9
175.03947	1.6
176.03409	1.7
176.07111	2.4
177.05460	2.1
178.01472	1.0
178.04990	13.8
178.06384	1.4
180.06529	15.6
181.01326	1.8
184.07640	1.4
185.00830	1.9
186.05484	1.9
186.09210	1.1
190.05045	1.8
190.99794	2.6
191.03358	1.7
193.05003	1.3
194.04478	1.8
198.05530	2.1
200.07069	6.9
201.07909	2.8
202.05070	1.6
202.08626	14.3
203.09422	3.5
204.06667	2.7
206.04526	3.9
208.02373	2.3
212.07213	2.3
212.09172	13.0
214.04939	2.0
216.06577	2.7
218.04512	5.0
218.08183	4.1
219.04945	2.2
220.02478	1.1
220.06071	2.5
226.04942	2.3
228.06549	30.9
228.08813	1.8
229.07225	2.5
230.04462	1.8
230.10199	4.8
233.00714	1.1
238.05022	1.0
240.02910	1.3
240.06517	2.2
242.04605	1.4
242.08203	1.4
243.09094	1.2
244.06126	4.4
246.04073	1.1
246.07607	4.9
247.08424	2.1
248.05478	3.2
254.04419	3.1
256.06088	3.4
260.05493	1.2
260.09357	1.0
266.04385	1.4
268.05963	2.4
270.04160	1.8
270.07645	2.9
271.05981	2.1
272.05560	5.4
272.09100	2.5
274.07104	4.0
278.07635	1.5
282.03995	3.9
284.05637	3.0
286.07169	3.3
288.05176	2.2
296.05551	2.1
296.08621	1.1
298.07123	3.8
300.05167	2.3
304.08157	1.3
308.05591	1.5
310.03375	1.5
312.05054	2.2
314.06656	3.2
316.08124	2.7
322.10721	1.3
326.92786	1.0
328.04581	2.7
330.09784	2.3
332.12888	2.4
342.06024	3.4
348.11057	1.1
352.04507	1.3
356.11365	1.9
356.15817	1.6
358.09778	1.1
360.07034	2.3
370.05505	3.0
376.10501	1.6
381.12653	1.2
382.13983	3.2
383.14078	1.8
390.12384	1.2
398.13510	1.9
399.13858	2.5
400.14911	4.3
402.08344	2.7
408.12833	1.0
420.09286	1.9
443.11160	1.2
462.10284	73.0
463.10342	2.3
480.10526	1.1
566.16565	100.0
567.17035	6.8
652.20776	2.0
670.22845	29.4
671.22797	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	670.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34332	0.2
53.03946	0.4
55.01871	0.6
55.05489	0.3
57.03416	0.3
61.02922	0.3
65.03941	0.6
67.05500	0.7
68.99780	0.4
69.03434	2.5
71.01375	0.2
73.02901	0.3
79.05487	0.7
81.03414	1.4
81.07052	0.3
83.04993	0.8
85.02897	2.7
87.00809	1.2
87.04454	0.3
91.05458	0.4
93.07035	0.3
95.04960	0.7
95.08604	0.2
96.04467	0.3
97.02888	100.0
98.03230	1.0
99.04458	0.6
103.03908	0.3
103.05452	0.6
105.01844	1.4
105.04512	0.3
105.07011	0.2
107.04958	0.4
108.02087	0.9
109.02870	1.5
109.06520	0.3
109.38541	0.2
109.47080	0.2
111.04436	0.8
114.05513	0.3
115.05407	0.3
121.02907	0.5
121.06498	3.5
123.04427	0.4
125.05962	0.3
127.03921	2.2
129.05473	0.8
131.04901	0.2
135.04422	0.8
136.01569	0.2
137.02319	0.3
137.05927	0.3
141.05515	1.1
145.02808	0.2
145.04994	0.4
145.06476	0.3
147.04430	0.4
149.05997	0.3
151.03902	52.4
151.04982	3.9
152.04237	1.0
153.05455	0.2
159.02866	0.4
161.05939	0.2
161.41577	0.2
163.03903	3.2
163.07518	1.3
166.02641	0.2
177.05479	0.5
181.04945	9.6
182.05327	0.2
189.04004	1.0
189.05428	0.3
191.07007	0.9
199.06129	0.2
203.06982	0.4
205.04999	0.4
213.03920	0.3
219.06508	1.9
219.61792	0.2
223.06004	0.5
229.05005	0.5
231.04991	0.5
241.07062	0.6
247.06004	20.1
248.06432	0.5
265.07065	15.6
266.07449	0.5
283.05338	0.3
283.08136	4.6
299.07800	0.3
309.05945	0.3
327.07172	0.6
345.08170	1.3
391.10052	0.3
394.50885	0.2
405.05997	0.3
406.06149	0.2
495.11151	0.2
513.12659	1.0
531.13440	2.8
532.12366	0.2
638.22156	0.6
639.23907	0.3
670.27740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59805	0.4
55.05504	0.5
57.03419	1.7
68.20309	0.5
69.03415	1.8
71.00886	0.8
71.04988	10.4
79.26119	0.4
81.03389	0.7
83.04962	0.8
84.72664	0.4
85.02402	0.9
85.02896	13.3
87.04469	0.6
89.03904	2.3
91.05482	0.8
96.74660	0.4
97.02881	3.8
99.04460	1.0
113.49293	0.5
114.92911	0.4
117.03369	10.4
121.02872	0.5
127.03947	0.5
129.05467	4.2
134.03625	1.1
137.05963	0.6
145.02834	39.8
146.03186	0.7
147.04341	0.6
147.06487	1.2
149.05975	4.3
151.07579	0.7
153.14836	0.5
155.04643	0.5
162.42206	0.4
163.03918	0.6
164.09038	0.5
177.05449	100.0
178.05785	1.9
179.07065	0.5
179.46266	0.4
186.05339	0.5
195.06435	1.3
205.05180	0.4
259.10028	0.5
265.29364	0.5
279.60785	0.4
287.09070	0.5
305.10217	0.8
321.09473	0.7
323.11130	1.5
339.10718	17.4
340.11133	0.5
376.10355	0.7
485.16635	0.8
516.17084	1.1
548.20056	0.8
555.36841	0.4
574.93390	0.5
612.62927	0.5
639.23682	0.7
665.31927	0.5
671.26904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30561	0.3
57.03427	1.1
59.04985	0.4
69.03410	1.4
71.04990	8.6
71.05394	0.5
73.02902	0.9
75.04498	0.4
81.81202	0.4
83.04969	0.7
85.02904	9.1
87.04464	29.9
88.04832	0.5
89.03922	2.7
89.06009	1.2
91.05462	0.6
97.02893	2.1
99.04417	0.7
103.07584	0.5
109.50238	0.4
117.03375	9.8
119.04934	0.7
121.06440	0.4
127.01567	4.6
129.05461	2.8
130.47327	0.4
131.04974	0.4
131.07033	0.8
133.08617	0.7
134.03598	0.7
135.04404	0.9
137.05966	0.6
139.01543	1.5
145.02840	34.8
146.03183	1.1
146.08144	0.7
147.04378	0.9
147.06537	0.7
149.05981	4.3
151.03915	0.5
151.07556	1.1
153.03117	6.3
163.03894	0.5
164.09160	1.2
165.09044	0.3
177.05458	100.0
178.05806	2.3
179.06993	0.7
183.04156	0.6
186.05406	0.5
191.06993	0.3
193.08516	0.6
195.06448	0.9
197.05725	1.6
207.06517	0.9
219.12270	0.9
227.06808	0.6
241.08504	0.5
248.29570	0.3
261.11252	0.6
287.05222	0.4
287.09094	0.9
301.06873	0.6
302.07291	0.5
305.10333	0.4
323.11218	1.3
326.96722	0.4
335.09909	0.4
339.10733	4.4
383.10840	0.5
508.34061	0.4
516.17426	0.7
671.26337	1.1
698.54498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
58.04221	6.0
67.05502	6.7
69.03437	12.4
69.23064	18.4
71.05003	5.4
73.02914	21.2
79.05479	5.9
81.03417	10.4
81.07052	7.8
82.28321	4.8
85.02911	30.0
87.00830	11.9
87.04457	19.7
89.06021	47.4
91.05467	12.5
93.07040	6.3
95.04951	9.9
97.02875	9.4
97.06522	5.0
98.22644	5.8
99.04438	6.2
105.01819	6.9
107.04966	29.2
109.02866	8.9
110.75842	4.2
117.06969	5.3
119.04957	7.0
121.02902	5.2
121.06514	8.3
123.04459	7.3
125.06042	4.9
127.03912	13.8
130.07748	5.6
131.04930	6.0
133.08559	24.4
135.08105	5.3
143.08582	8.5
145.10129	37.6
146.16928	4.4
147.04424	10.1
151.03917	6.1
155.08562	11.5
157.06400	4.7
158.07243	29.2
159.02885	5.8
163.07497	9.1
167.07033	100.0
167.08330	8.1
168.07379	6.7
171.66867	4.8
173.09613	61.5
175.03856	8.9
177.05400	6.2
177.11246	17.9
181.05023	9.9
181.08568	72.5
185.00999	5.6
195.10162	13.5
201.09093	96.7
207.06540	12.7
208.06805	5.8
229.18103	4.3
233.11703	98.1
234.12033	5.9
251.12732	38.6
255.16060	5.0
287.05392	5.1
292.36267	5.7
304.04013	6.3
352.68927	5.9
368.13522	4.9
387.18021	60.4
405.05899	6.8
405.19147	4.6
638.21088	13.4
639.22913	11.7
670.22662	9.8
671.24829	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	670.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
57.03438	0.9
57.21070	0.2
58.63556	0.2
59.04998	1.7
69.03425	1.0
69.33559	1.0
70.06601	0.3
71.04990	5.7
73.02913	1.6
73.06547	1.0
78.99519	0.6
81.03413	0.4
83.04971	0.5
85.02404	0.4
85.02903	6.0
87.04465	100.0
87.58742	0.2
88.04789	0.8
89.03894	1.8
89.06029	4.8
91.05496	0.3
97.02904	1.1
99.04479	0.3
103.05452	0.2
103.07582	1.2
112.99997	2.0
113.06002	0.3
117.03381	7.1
117.09120	0.8
121.02869	0.5
127.01562	16.1
127.03924	0.6
129.05475	1.7
131.07033	3.7
133.08604	2.7
134.03625	0.4
135.04427	0.4
137.05991	0.3
137.34006	0.2
139.01540	6.4
145.02840	22.7
146.03181	0.6
146.08098	0.5
147.04335	0.3
147.06523	0.5
147.10136	0.8
149.05966	2.9
151.07527	0.5
153.03111	17.7
159.10098	0.4
163.03850	0.4
164.09180	0.7
175.09645	0.7
177.05461	62.1
177.11229	0.7
178.05803	1.6
179.06987	0.4
181.08620	0.6
183.04195	2.4
186.05557	0.3
193.08513	0.3
195.06538	0.7
197.05733	7.6
219.12265	2.9
227.06827	1.0
241.08275	2.3
245.08083	0.2
259.09482	0.4
271.09363	1.1
285.11014	0.7
286.04660	0.4
287.05151	0.6
287.09100	0.4
301.06937	0.9
302.07376	0.7
303.12027	0.6
315.11932	0.7
323.11194	1.0
339.10733	3.6
347.14664	0.3
377.10730	0.4
387.45844	0.3
391.17102	0.3
516.80255	0.3
548.19220	0.3
567.26721	0.3
639.24286	0.3
653.30927	0.9
671.26166	0.5
679.87280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
56.71280	0.4
57.03425	2.1
58.06599	1.0
68.05021	13.2
68.99778	1.0
69.03416	0.8
69.39114	2.4
70.06585	100.0
70.61878	0.4
71.06888	1.1
72.08150	3.6
73.02907	1.7
81.03415	0.7
84.04498	0.7
84.08135	1.3
85.02892	2.3
86.06058	56.6
86.09692	4.8
87.04460	0.6
91.05492	0.7
96.04483	3.0
97.02872	1.0
98.06029	1.4
99.04434	0.6
100.07603	1.6
107.04957	0.4
112.07598	2.4
114.05526	3.9
118.08633	1.4
121.06472	0.6
127.03910	0.8
128.07054	6.1
133.04947	2.3
133.10083	0.7
136.06151	0.8
139.12218	0.6
142.05003	3.2
147.04410	1.5
162.56490	0.4
163.07503	1.1
167.11752	2.4
181.09886	0.4
182.11729	0.6
183.11342	1.8
183.14896	11.0
185.00764	0.5
185.12845	5.0
195.11313	0.5
200.09026	0.5
202.10637	0.8
211.10898	2.1
211.14395	7.6
213.00241	1.2
213.12317	2.0
218.10127	0.9
219.02844	1.6
225.15913	0.5
231.13368	69.2
232.13680	2.0
234.13475	0.7
239.13850	0.7
273.14404	5.0
287.05460	0.9
308.19666	2.8
315.04849	0.5
327.15576	1.8
328.18622	53.2
329.18915	1.7
343.14966	0.6
359.10941	0.8
363.17563	12.1
403.03491	0.5
421.24213	0.5
441.27042	0.8
460.22836	80.8
461.23285	3.5
538.32269	12.1
539.32581	0.9
565.89319	0.5
670.19379	1.0
670.36414	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	670.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
58.79137	0.3
67.05501	0.3
73.02913	0.4
77.03924	0.6
79.05493	3.1
80.85567	0.3
81.07046	0.5
87.04460	100.0
88.04804	0.8
89.06022	2.2
91.05481	3.2
93.07018	1.1
95.04971	1.9
103.05462	3.1
105.04517	0.7
105.07019	54.6
106.07352	2.0
107.04918	0.6
111.87978	0.2
113.06045	0.3
117.07023	0.6
119.04896	0.5
119.08583	1.8
121.06496	6.2
128.06174	0.3
129.06976	0.9
129.94754	0.3
131.07019	2.3
131.08557	1.5
133.08583	1.2
145.10098	0.4
147.08035	10.5
148.24567	0.2
149.09608	1.9
165.09081	0.6
167.01805	0.3
175.09663	0.5
177.11214	0.4
181.10101	0.5
219.12288	2.3
223.11105	0.9
225.12706	5.3
249.12604	0.7
251.14218	1.2
263.14645	0.3
269.15399	1.5
269.17783	0.3
313.17746	0.4
373.21411	1.0
445.24277	0.5
573.64148	0.3
670.39264	2.0
671.41040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
53.06678	0.5
53.16220	0.6
55.01857	1.2
57.03426	0.7
61.02914	0.7
63.75037	0.5
68.99797	1.2
69.03422	4.0
69.63463	2.0
70.06583	2.1
72.08140	0.6
76.83829	0.5
81.03410	7.8
84.08144	0.9
85.02905	5.5
86.09718	0.7
95.04990	0.5
97.02872	2.8
99.04436	0.6
103.03895	0.7
106.87315	0.5
109.02873	5.0
110.07156	0.6
111.00781	0.9
116.07140	0.5
117.03364	0.7
121.02795	0.5
123.04405	0.8
127.03905	6.9
132.35916	0.4
135.04384	2.6
137.02336	100.0
137.03413	5.7
138.02632	1.8
139.03012	0.5
139.03857	2.6
145.05003	0.7
147.04399	1.9
149.02312	0.7
151.03899	3.8
161.02409	0.9
163.03891	3.1
169.04984	0.6
175.03946	1.1
177.01840	1.3
177.05412	0.6
179.03374	13.2
180.03603	0.6
187.06006	1.9
203.03404	6.5
205.04924	0.6
205.06995	1.1
221.04337	0.9
229.04974	0.8
229.55748	0.5
241.05074	0.5
245.04488	1.3
253.04805	0.5
259.06110	1.0
269.04480	1.1
287.05453	8.9
299.05536	2.1
300.06250	0.6
305.06519	28.2
306.06842	0.9
311.05353	2.2
329.06549	11.7
347.07635	3.3
353.06497	3.3
371.07693	2.4
383.07193	0.8
395.07813	2.3
413.08624	1.7
431.09937	3.1
449.10840	3.6
473.10431	0.8
489.94540	0.5
491.11340	1.0
499.04715	0.5
635.16132	1.2
653.16821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.3
54.03452	1.7
54.55214	1.8
55.01860	4.9
68.05029	1.7
68.99783	4.5
70.06591	10.8
70.62266	3.1
71.04982	2.8
71.06946	2.4
73.06404	12.2
74.06764	2.4
82.02937	56.4
84.04483	2.3
84.08135	3.4
86.06059	16.1
91.05479	6.7
95.04972	4.6
96.04469	2.4
103.05453	27.3
105.03387	1.9
105.07009	3.0
107.04948	8.9
108.04467	2.5
112.08717	5.8
114.05524	68.8
119.04959	4.3
120.04458	2.1
121.02906	1.9
128.07239	1.6
128.08180	3.6
128.23294	1.8
130.09773	4.4
131.04918	49.4
132.05289	2.2
135.04411	3.6
138.01849	4.5
140.03433	6.3
140.43953	1.6
141.01906	1.7
141.07130	1.8
147.04472	3.2
148.03929	6.2
150.01871	3.3
151.00299	1.8
151.03908	3.0
152.03426	2.0
153.01826	7.0
155.04842	1.9
161.06026	1.9
162.05486	2.4
163.02748	2.1
163.03880	8.7
166.01387	2.9
166.04858	2.1
166.99756	6.2
168.02904	22.1
168.04189	2.6
169.01312	5.9
171.04459	2.7
172.03966	2.8
175.03934	1.9
176.03450	4.9
178.01337	10.6
185.00819	6.5
185.05852	1.8
186.05392	1.6
187.03877	63.3
189.01825	1.9
190.01306	2.4
190.05026	2.5
192.02960	7.3
196.02359	2.8
197.05939	1.9
200.03406	3.2
202.01390	6.1
202.04956	3.7
204.02928	6.3
205.03761	4.3
207.02904	3.1
207.06563	4.8
212.03404	2.5
213.45811	1.8
214.05067	1.9
215.04596	2.2
216.02898	9.8
218.00879	3.2
218.04428	9.7
220.02446	4.0
225.05527	2.3
225.07806	2.0
228.02975	3.7
229.05014	3.8
230.04509	6.0
232.02470	2.4
234.03947	3.8
239.03490	2.1
240.02876	9.9
241.05034	4.7
242.04474	3.9
243.04230	2.6
244.02277	9.9
246.09079	4.2
254.00809	2.6
255.03027	6.5
256.05960	14.1
257.04495	3.9
258.04001	21.1
262.03448	3.3
268.02441	11.1
269.04434	10.4
270.04752	2.3
271.06021	4.7
272.01886	5.0
272.06598	3.9
274.08551	4.6
278.08145	3.2
280.02472	2.6
282.03955	2.2
284.02240	2.7
284.05591	8.5
285.06259	17.3
286.03619	9.0
288.01474	4.5
289.04474	10.9
296.02316	2.4
296.05551	3.4
298.00049	2.1
298.08395	2.5
302.03528	2.3
302.06982	7.8
303.05048	2.7
304.08185	5.2
306.02499	4.2
306.07724	4.5
308.01822	3.0
310.03528	5.7
316.01025	4.6
318.02396	2.6
320.09030	3.1
322.07022	2.2
322.10678	3.5
323.07666	9.1
326.03119	2.0
330.02420	3.0
330.07632	5.4
336.01334	26.6
336.04922	3.1
336.08582	2.6
338.03091	5.7
338.10385	2.1
348.08694	10.8
353.04099	2.2
354.02383	22.2
356.05133	2.1
358.07144	6.4
364.00900	7.2
372.03406	6.8
376.08093	14.8
381.03622	7.2
382.01962	4.0
382.14078	4.0
383.14288	4.1
384.08868	2.7
386.06409	9.4
394.09125	25.0
398.06583	4.2
399.11932	7.5
400.14728	4.9
401.15320	3.8
404.07281	2.7
412.07996	8.8
426.06171	4.1
439.11493	6.6
440.07526	11.4
446.08258	2.0
454.05508	42.7
455.05917	3.9
471.08127	4.2
472.06610	40.0
474.07825	2.2
482.05493	2.2
485.09830	2.9
488.11426	2.1
489.09280	2.9
490.07687	84.7
491.08310	6.1
498.08582	2.1
500.06274	6.8
502.12781	3.5
508.08798	2.7
516.09454	3.9
517.08716	26.9
518.07587	5.5
530.12518	11.6
535.09784	77.6
536.09961	7.1
548.13525	8.1
549.13049	2.5
556.11786	3.3
558.12042	23.9
576.12848	55.7
577.13513	3.8
586.10535	2.2
593.15417	8.6
594.13879	37.6
595.14539	4.2
603.14172	2.8
604.12659	8.0
621.15192	25.8
622.13806	10.4
639.16016	22.5
653.17694	47.8
654.17426	7.1
671.18628	100.0
672.19458	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	671.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58452	1.2
55.01878	1.7
56.04732	1.3
58.37645	1.6
60.05652	14.0
68.05045	7.1
68.99783	9.5
69.03427	2.9
69.05817	1.8
69.45220	6.9
70.06590	46.0
72.05653	12.0
73.06419	42.5
79.05484	2.2
80.05002	3.4
82.02937	6.5
82.15686	1.4
83.06086	2.3
86.06067	8.4
91.05476	7.4
91.96213	1.4
95.04964	2.7
95.06078	1.4
96.04497	4.7
97.06531	3.7
103.05473	12.1
105.07024	2.9
107.04960	5.6
108.04496	2.6
111.05543	2.7
112.08720	17.9
114.05533	8.0
115.05447	1.7
119.04975	5.0
120.04468	1.9
121.06545	1.6
122.06075	4.5
123.04398	2.8
125.05899	1.8
128.08234	9.4
129.08994	8.9
130.04996	5.3
130.09763	11.8
131.04929	33.4
134.05994	1.8
135.04359	1.7
137.05984	4.7
138.01833	3.2
140.03452	1.6
140.50421	1.3
146.05980	3.2
147.04449	8.0
148.03949	4.5
150.05476	4.5
151.03917	1.9
151.89792	1.5
153.01784	2.1
162.05640	1.8
163.03915	8.2
164.03371	1.5
164.07089	3.1
165.05470	18.8
166.01385	5.4
166.99760	6.8
167.02155	6.8
168.02930	14.5
169.01222	1.7
171.04474	3.7
172.03918	3.6
174.05472	3.4
175.03888	23.5
176.03409	1.5
178.01350	5.4
180.02937	3.0
181.05019	1.6
184.02351	1.7
184.03896	1.7
185.00841	11.0
185.03214	2.5
186.05440	2.4
187.03889	20.9
188.03476	2.0
190.04901	7.4
191.03421	3.4
192.02942	2.3
192.06534	8.6
193.04973	6.4
194.00813	2.1
194.04489	1.8
200.03461	5.2
204.02887	3.2
212.03415	3.3
213.05501	2.1
214.05000	4.6
216.02988	3.2
217.06299	1.5
218.04465	43.3
219.02887	3.3
219.04832	1.8
220.02414	2.0
224.10408	2.5
225.05466	2.2
226.04958	2.6
228.02887	19.4
230.04529	6.6
234.08719	3.1
235.07138	3.0
236.05385	3.2
239.03337	2.7
240.02879	5.5
242.04457	9.4
243.04041	2.5
244.02364	5.0
246.04018	1.9
251.06772	1.5
252.09845	12.3
254.00867	2.4
254.04454	7.0
257.08041	2.8
258.03961	16.2
260.02032	1.8
262.03387	2.1
267.10245	2.2
268.02496	8.1
270.04077	3.8
270.07581	2.9
271.05951	9.5
271.08322	2.5
272.09158	10.0
278.07693	11.8
279.10217	22.1
282.04010	5.6
282.07394	2.8
286.03455	5.4
295.05905	1.8
296.01868	4.1
296.08768	31.3
298.03473	1.8
308.02176	2.2
310.03461	16.7
316.06009	3.9
320.05560	10.1
320.08896	2.5
322.07172	2.7
322.10776	9.8
328.05853	1.6
334.07333	2.0
336.01382	5.8
338.02969	21.8
338.10806	2.6
338.14932	17.3
340.11746	8.1
340.93063	1.9
342.07648	2.6
344.05447	2.7
352.08078	1.6
354.02402	6.1
356.15997	22.9
362.06281	2.3
362.10236	18.2
364.00745	2.2
370.07126	1.9
372.08615	4.1
382.14008	24.8
383.13449	1.7
384.10645	2.3
388.08127	2.4
390.09442	1.7
400.15039	91.1
401.14026	4.6
414.09927	2.1
422.08743	3.1
426.06104	6.1
440.07584	5.0
442.09235	72.0
443.09470	4.6
444.06979	2.3
454.05591	9.8
457.10458	2.1
458.08658	18.3
459.10443	1.6
460.09827	2.0
468.06958	2.8
470.08859	10.4
472.06595	11.4
476.09631	12.1
477.12531	2.0
485.09961	7.2
486.08237	1.9
487.11383	24.3
488.11795	3.0
503.10864	9.4
521.12091	10.2
530.11835	1.8
558.11963	12.1
567.17261	18.7
576.12866	100.0
577.12793	7.1
579.13446	1.8
586.10809	2.8
594.13989	14.8
603.14063	8.4
604.12518	7.2
621.15045	41.0
622.14075	5.2
635.16241	2.4
639.16174	7.0
653.17615	3.3
671.19086	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	671.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57044	1.5
60.05642	15.3
60.21580	1.7
65.03912	1.9
68.05028	8.6
68.99789	12.9
69.03414	2.7
69.05808	2.2
69.47600	4.5
69.47993	2.6
70.04624	1.4
70.06589	48.4
72.05640	14.2
73.06416	44.1
74.57639	1.4
80.05016	3.8
82.02934	7.4
83.06133	1.9
84.04511	3.9
84.06867	1.8
85.02905	4.8
86.06061	13.7
91.05445	7.9
95.04977	3.9
95.06090	2.4
96.04487	6.3
96.08039	1.6
98.07128	2.5
102.05514	2.2
103.05456	9.5
105.07019	4.4
107.04944	4.2
108.04483	1.5
111.05624	1.7
112.08720	21.5
114.05512	11.1
116.76057	1.8
119.04933	4.3
122.06049	4.4
123.04459	2.7
124.03935	2.6
126.80688	1.8
128.08192	8.8
129.09001	9.3
130.04993	27.3
130.09750	16.4
131.04909	46.2
135.04393	2.5
137.05983	5.1
138.01852	5.2
138.05481	2.5
139.00258	2.2
140.03468	3.0
146.06015	2.0
147.04430	7.0
150.05475	4.4
151.03912	2.5
153.01822	7.3
163.03896	5.5
164.03391	2.5
164.07005	4.1
165.01903	1.7
165.05428	18.2
166.01363	7.2
166.05002	1.9
166.99742	5.6
167.02104	9.7
168.02911	23.8
171.56714	1.6
172.03995	3.3
174.05531	4.5
175.03909	22.3
176.03410	2.2
178.01399	3.5
179.03374	2.3
180.02896	7.0
182.04541	2.9
185.00797	18.3
185.03258	4.7
187.03883	14.2
188.03513	2.2
190.04921	5.2
191.03380	3.8
192.02861	1.9
192.06578	5.0
193.04971	9.3
194.00848	3.8
194.04483	2.2
200.03453	4.5
204.02908	3.0
205.01378	1.7
206.04472	5.0
207.02890	1.7
212.01764	3.9
212.03528	3.3
214.05037	4.6
218.04453	43.3
219.02863	3.8
220.02411	2.3
224.10187	2.4
225.05449	2.0
228.02867	14.2
230.04611	1.7
231.02812	1.6
232.02574	1.8
234.03867	12.0
234.08772	5.1
235.06879	1.8
236.05585	5.7
239.03531	2.6
240.02975	2.6
242.04596	5.9
242.08064	1.7
243.04054	1.8
244.02516	3.1
251.06441	2.6
252.09782	14.8
254.00667	1.8
254.04410	3.4
257.08090	7.3
258.04059	11.6
260.02023	4.4
260.06573	2.4
262.03522	2.1
268.02414	6.2
270.07672	3.2
270.10654	1.7
271.05978	13.4
271.08435	7.0
272.01746	2.8
272.09125	24.5
278.02856	3.7
278.07718	12.6
279.10141	22.2
280.04520	7.3
282.04224	3.2
282.07590	4.6
284.09198	3.7
286.03482	4.8
296.01932	4.0
296.05447	1.2
296.08746	32.1
298.07101	4.7
305.04059	6.5
310.03445	9.2
310.10715	2.3
316.05841	1.7
320.05453	3.8
320.13684	2.0
322.10605	12.6
334.07111	1.8
336.01376	6.1
338.02914	24.2
338.10199	7.7
338.14984	15.4
340.11847	7.8
344.05457	2.3
354.02563	4.9
356.04056	2.6
356.16348	21.7
358.07419	1.8
362.10202	13.2
364.08228	2.0
372.08545	3.3
382.09140	1.9
382.13998	27.1
383.12146	7.7
384.10706	19.3
390.09705	2.1
400.15085	100.0
401.13272	19.7
409.10168	5.2
410.08640	9.7
422.08728	9.5
426.06427	2.8
427.11304	2.7
440.07590	5.2
442.09222	55.7
443.09311	5.5
444.06998	3.3
454.05664	7.9
457.10437	2.5
458.08633	11.5
468.06985	3.8
470.08505	7.1
472.06662	9.1
476.09753	9.0
485.09668	5.6
486.08261	2.4
487.11389	16.5
490.02783	1.9
503.10574	6.3
521.11761	7.6
526.14893	5.8
558.11652	8.0
567.17474	18.3
576.12872	64.9
577.13013	6.8
586.11133	2.3
594.13867	10.7
603.13629	4.8
604.12085	4.5
621.14844	29.0
622.14160	5.0
639.16223	4.5
653.17926	2.8
671.18787	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	671.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40627	1.1
61.75895	1.0
67.27808	1.1
69.03416	1.4
69.59496	5.0
76.98161	1.0
82.19515	1.0
84.81174	1.1
85.02868	1.6
86.94651	1.2
90.52843	1.0
97.02882	4.0
98.23498	1.3
111.02412	1.0
117.03492	1.4
119.04942	2.6
121.02873	2.1
126.27243	1.3
137.05969	6.6
142.79033	1.1
145.02827	1.2
147.04373	5.6
161.05986	3.2
163.03923	3.4
163.39220	1.4
164.04271	2.7
167.02177	1.2
177.05524	3.6
184.04964	1.8
199.07689	1.7
207.06578	1.8
208.36674	1.4
227.05276	1.7
271.04333	2.4
289.05371	4.7
291.10278	2.3
309.11469	1.9
315.11026	1.3
323.12738	1.5
345.10931	5.7
383.11078	1.4
384.11667	1.6
405.13434	2.6
405.22571	3.6
423.14145	13.8
456.07578	1.3
516.17242	1.7
567.18402	3.4
585.19397	30.2
586.19879	1.8
593.15881	3.5
609.19684	8.2
627.20416	100.0
628.21173	7.5
639.24329	1.5
641.19623	1.3
653.18378	13.3
671.19397	94.3
672.19946	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	671.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10315	0.8
51.10580	0.9
55.01853	0.7
60.05353	1.2
60.05643	14.8
67.92700	0.8
68.05025	7.5
68.21767	1.0
68.99783	4.5
69.03420	3.3
69.05807	2.7
70.06586	54.0
70.93153	1.2
71.04971	2.0
72.05629	12.4
73.06416	46.3
79.05476	1.4
80.05002	2.7
81.03404	1.2
83.06086	1.9
84.06857	1.5
84.08122	1.8
85.02874	1.7
85.06467	0.8
85.07682	1.2
86.06056	6.5
91.05462	4.4
91.40201	0.7
94.06537	0.9
94.83705	0.8
95.04940	1.1
95.06055	1.2
96.04489	3.2
97.02910	1.5
97.06502	2.3
98.07146	1.8
99.07944	1.1
103.05453	3.0
105.01843	1.0
105.07040	4.8
107.04955	1.4
108.04466	2.7
109.02842	0.8
109.06524	0.9
110.07153	1.1
111.05549	2.6
112.08723	19.4
118.06483	0.8
119.04924	2.2
122.06002	4.3
123.04439	1.4
124.07737	0.9
127.03954	1.1
128.08200	9.9
129.08977	11.6
130.06497	0.8
130.09743	15.0
131.04909	13.5
131.47713	0.8
137.06001	6.3
146.06033	1.0
147.04405	6.3
148.03828	0.9
149.05965	1.2
150.05484	5.0
151.00174	0.8
151.03889	2.7
159.05550	0.8
162.05487	1.2
163.03929	3.9
164.07034	4.1
165.05466	16.0
165.06813	1.6
166.04875	1.2
166.99786	2.0
167.02177	1.1
167.07057	1.6
168.02875	3.9
168.06541	1.0
174.05476	2.6
175.03871	24.2
175.05362	1.5
176.03419	2.3
178.01303	1.2
181.04857	0.8
185.00795	12.2
190.04982	4.9
191.03378	3.2
192.06447	5.4
193.04890	6.9
194.04489	1.5
196.10843	0.8
202.09460	1.0
209.04413	1.2
210.07378	0.9
211.05931	1.5
215.04486	1.1
216.07571	2.2
217.06067	1.4
218.04454	36.6
219.02863	3.2
219.04840	1.6
224.10333	1.4
233.05530	1.2
233.11786	1.1
234.08725	2.7
235.07101	1.5
236.05382	7.5
243.04123	3.7
251.06647	2.5
252.09758	16.1
254.06552	1.0
260.06647	2.0
261.05072	1.0
267.10150	1.5
270.10745	2.8
271.06000	9.6
272.09125	2.6
278.07724	11.9
278.11359	1.6
279.10126	24.6
293.08029	1.9
294.11099	0.9
296.08746	32.6
296.12265	2.0
297.11237	1.9
320.13971	1.3
322.10681	11.8
323.11838	2.0
324.12363	1.2
338.14984	19.2
340.11810	7.2
356.15994	23.8
364.12915	2.1
382.13937	34.7
383.14105	1.2
400.14999	100.0
401.15305	3.4
567.17151	17.9
647.96045	0.8
671.22968	13.6
671.32874	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	671.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73298	0.7
55.01884	1.2
60.05651	19.5
63.61149	0.9
68.05030	8.8
68.99792	7.7
69.03436	1.9
69.05798	2.7
69.75475	2.1
70.06592	64.3
71.04996	2.5
72.05643	21.7
73.06422	57.7
79.05485	1.9
80.05011	5.1
83.06121	2.9
84.06876	2.2
85.07665	1.2
86.06062	10.7
91.05475	7.0
94.06567	1.1
95.04979	2.0
95.06084	2.4
96.04494	5.5
97.06526	3.1
98.06119	1.0
98.07203	2.0
103.05465	3.4
105.03391	0.9
105.07028	3.7
106.06543	1.2
107.04953	1.9
108.04488	2.2
111.05547	2.7
112.08726	23.6
119.04924	5.1
120.04436	1.6
121.06491	1.3
122.06034	6.0
123.04449	3.1
125.06001	1.5
126.68596	0.8
128.08206	13.1
129.08997	12.9
130.09761	18.5
131.04926	14.6
132.73691	0.9
134.06053	0.9
136.07613	0.9
137.05966	6.3
137.06955	1.5
138.05429	1.0
139.00294	1.7
143.40077	0.8
146.05977	2.0
147.04417	9.4
148.03989	1.7
149.06056	1.5
150.05486	6.9
162.05455	1.8
163.03940	4.4
164.07074	4.8
164.08281	1.2
165.05469	24.6
165.06778	1.5
166.89915	0.9
166.99738	4.7
168.02911	5.7
169.01317	1.2
172.56793	1.0
174.05528	4.0
175.03885	33.4
175.05350	1.7
176.03438	3.3
181.04874	1.2
185.00813	14.0
189.06557	1.2
190.04971	8.6
191.03310	5.3
191.05750	1.7
192.06517	8.7
193.04984	8.9
194.04453	1.7
207.02872	1.5
210.07472	1.7
211.05959	1.4
215.04636	1.1
216.07813	2.2
217.05949	1.0
218.04474	46.3
219.02838	5.6
219.04781	1.2
224.10378	3.0
233.05634	1.5
234.08771	3.1
235.07152	3.9
236.05382	6.9
237.03926	1.9
242.05516	1.1
243.04056	3.1
250.08134	1.4
251.06615	2.6
252.09802	17.8
254.06639	1.5
260.06760	1.7
261.05258	1.7
267.10165	1.5
270.10803	2.7
271.05963	10.9
272.09219	4.0
278.07712	14.9
278.11740	2.3
279.10181	33.1
280.10254	1.3
293.07986	2.3
296.08765	38.0
296.12198	2.2
297.08594	1.3
297.11591	1.1
320.13724	1.1
322.10675	13.0
323.08801	1.5
323.11884	1.2
338.14920	17.5
340.11920	7.0
341.12421	1.1
356.16095	24.3
382.13980	32.0
383.13849	1.0
400.15030	100.0
401.15314	4.8
463.11270	1.4
567.17291	20.2
568.17682	1.5
671.23407	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	671.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10612	0.8
54.34793	0.7
55.01857	0.8
56.04150	0.8
69.73049	2.4
86.73322	0.7
97.02900	2.9
123.45488	0.8
147.04440	0.8
151.03958	1.1
158.58356	0.9
177.05522	1.3
327.11044	2.4
377.08939	4.4
383.10034	2.8
409.11383	6.5
499.15063	5.6
517.15582	1.0
518.16968	2.0
531.17706	3.4
548.17822	1.5
561.21875	0.9
595.23029	2.9
639.11084	1.9
639.22089	73.9
640.22601	6.2
671.24689	100.0
672.25037	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	671.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29493	0.7
69.14159	4.7
69.48913	0.6
85.91267	0.6
98.23419	1.6
108.26456	0.6
119.04964	1.2
120.37683	0.7
147.04445	1.4
171.63286	0.6
207.06599	1.2
238.65761	0.7
327.11169	2.2
351.09918	0.7
376.18784	0.8
377.08856	5.0
383.10205	2.3
395.09305	0.9
404.85803	0.7
409.11731	5.7
421.95023	0.7
458.15134	0.7
476.16000	1.0
499.15405	2.3
516.15778	0.8
518.17017	1.1
531.17841	2.0
548.17969	2.2
550.20081	0.8
595.23413	2.9
601.31158	0.8
627.19641	1.7
639.22089	58.9
640.22491	4.4
671.24762	100.0
672.25195	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	671.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05506	2.0
56.05032	2.1
58.71316	0.8
58.99575	1.0
60.04528	1.1
67.05502	2.5
69.03431	4.6
74.00661	1.4
74.67241	0.9
79.05484	3.3
80.05019	1.8
81.03400	3.1
81.07060	2.4
82.06583	1.8
83.04988	1.3
84.04503	18.0
85.02885	1.2
85.04870	1.1
86.00671	1.1
86.06062	0.8
88.02200	5.7
88.03991	10.8
89.00611	2.3
91.05482	3.9
93.07044	2.6
94.06561	1.2
95.04986	4.3
97.02869	1.4
98.23439	2.2
100.02214	1.1
103.05473	1.1
105.07033	4.4
107.04925	2.2
107.08585	1.6
109.06528	1.1
109.10134	1.4
110.06062	1.2
111.04443	1.0
112.02175	1.6
112.07587	1.6
113.06001	1.1
114.03748	2.2
115.02153	3.5
116.01677	5.3
117.00010	1.4
117.07028	1.5
119.04956	1.1
119.08572	4.2
121.02868	1.5
121.06519	2.2
121.10166	1.2
125.07094	3.2
126.03864	0.9
126.05511	1.7
128.06226	1.8
129.06946	3.0
130.04993	10.7
131.04980	1.1
131.08585	2.5
133.06451	1.9
133.10104	2.9
134.02692	1.3
135.08063	1.5
136.07591	1.2
141.03622	0.8
141.07010	1.2
142.07758	1.9
143.08597	4.9
145.06505	2.5
145.10114	5.5
146.02716	1.0
147.04396	2.1
147.08034	2.7
147.11763	1.0
154.05011	3.3
154.07831	1.0
155.08525	4.0
156.06570	1.4
156.09331	1.4
157.10101	5.1
158.02707	2.7
159.08078	2.4
159.11684	3.9
160.04292	1.5
161.09633	2.8
162.02219	1.7
167.08516	1.6
168.09312	1.6
169.06201	1.3
169.10132	2.5
171.07640	11.8
171.11693	1.8
172.04237	1.0
173.09550	4.5
173.13266	1.2
175.11212	1.5
179.08530	1.4
181.10098	2.0
182.10910	1.2
183.11681	4.8
185.09625	1.3
185.13208	1.2
186.02142	1.0
187.04285	1.4
187.11154	4.4
192.06487	1.5
193.10120	1.8
194.10965	2.0
195.11694	1.2
196.08739	1.1
199.11185	1.3
200.05481	1.2
201.07361	1.0
201.12692	1.2
207.06503	1.7
207.11781	1.5
209.09708	1.1
211.11209	2.6
213.12668	1.2
215.08788	1.0
217.08234	10.8
217.10194	2.0
219.11652	1.2
225.12645	1.3
237.12720	1.4
251.14207	1.0
255.13882	4.7
273.14795	8.5
368.16916	1.4
386.17667	2.2
396.15860	1.0
414.17303	2.8
432.18347	11.9
450.19556	6.6
499.23059	1.3
517.23541	2.2
525.20563	1.7
543.21521	15.7
561.22614	100.0
562.22961	6.2
579.23773	13.2
639.22595	6.8
671.25085	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	671.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10897	0.7
55.05507	1.1
67.05499	2.1
67.62727	0.7
69.79292	2.7
76.75540	0.8
79.05502	3.2
79.24666	0.7
81.03415	3.3
81.07055	0.9
87.04492	2.1
89.06031	2.1
91.05463	1.9
93.07048	1.6
95.04965	1.5
95.08598	1.9
98.22758	0.9
105.07021	12.0
106.07348	1.0
109.06513	1.0
112.91203	0.7
115.07580	1.1
117.07025	0.8
119.08614	3.3
121.10125	1.2
129.07002	1.2
131.08589	2.1
133.10196	1.6
141.07011	0.8
143.08556	1.3
145.10126	2.6
147.11792	0.9
149.02138	2.3
149.09624	1.6
155.08510	1.1
156.09396	1.9
157.10117	1.9
159.11722	1.8
161.09645	0.9
165.60077	0.8
169.10161	1.9
171.11784	1.2
173.09651	1.1
173.13284	1.6
183.06277	4.5
183.11774	1.4
187.14850	2.0
197.13350	1.8
198.14049	0.8
215.14369	1.0
216.15103	0.9
313.17902	0.8
317.15033	6.6
334.06241	0.9
335.16153	19.2
376.18793	1.2
377.17023	6.4
395.18256	66.7
396.18723	2.6
413.19519	1.5
436.20731	4.3
495.23450	7.7
511.23141	3.1
555.25568	53.3
556.25800	1.9
611.28229	1.5
671.30310	100.0
672.30481	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	672.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
61.02920	0.7
65.03938	0.9
67.05497	0.6
67.44099	0.2
68.32297	0.2
69.03420	0.7
69.27321	0.4
69.27724	0.9
73.02900	0.3
80.02634	0.3
81.03410	0.7
85.02894	2.3
87.11593	0.2
90.50550	0.2
91.03932	0.7
93.03402	0.6
95.04979	0.4
96.72684	0.2
97.02899	1.2
99.04467	0.3
101.56501	0.2
108.02097	0.9
109.02877	0.8
111.04427	0.7
123.04434	0.3
125.05964	0.6
127.03872	1.0
141.05423	1.0
145.04941	0.8
151.03897	100.0
151.04927	5.0
152.04254	1.9
163.06023	1.5
169.04958	1.7
169.53545	0.2
201.96701	0.2
253.07170	0.2
295.08191	1.4
313.09146	27.7
314.09622	0.7
325.11252	0.3
475.14139	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	672.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01858	0.4
57.01019	0.3
57.03428	0.7
65.03949	1.6
67.05500	0.6
69.03423	2.5
69.23861	1.8
71.04968	0.3
75.60102	0.3
81.03413	4.9
83.43830	0.3
85.02907	3.8
93.03390	1.7
95.04972	0.9
97.02895	2.7
98.22727	0.7
99.04451	0.9
108.02115	1.0
109.02868	2.9
110.03656	0.7
110.66997	0.3
111.04447	2.9
119.05106	0.4
123.04430	0.5
125.06002	3.7
126.01108	0.5
127.03912	3.6
136.01573	0.4
136.06157	0.4
137.02345	1.9
138.02713	0.3
141.05434	1.0
145.04918	0.6
151.03900	100.0
151.04922	4.5
152.04213	1.6
155.03696	1.2
157.03453	0.4
169.04959	16.2
170.05228	0.4
181.04971	1.0
222.11253	0.4
295.08090	6.4
305.06827	0.4
306.06918	0.5
313.09155	22.4
314.09622	0.5
481.03021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77379	0.2
54.41323	0.3
55.01865	0.5
57.03433	0.3
65.03923	0.7
67.05489	0.8
69.03416	0.8
69.20628	0.5
69.21038	1.2
71.45626	0.3
81.03418	0.8
85.02897	2.1
93.03384	0.3
95.04954	0.4
97.02888	0.8
99.04465	0.5
108.02097	0.7
109.02882	0.6
111.04436	1.1
119.82619	0.3
121.04012	0.3
123.04395	0.2
125.05994	0.7
127.03897	1.3
141.05481	1.0
145.04858	0.5
151.03902	100.0
151.04926	4.7
152.04233	1.6
164.95938	0.2
169.04958	2.4
185.57631	0.3
196.16852	0.3
200.24275	0.2
295.08151	1.0
297.56982	0.3
307.34903	0.2
313.09152	30.5
314.09579	1.0
357.74356	0.3
367.51788	0.2
441.86081	0.2
475.14517	0.4
636.24805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.1
53.03938	4.5
55.01872	5.6
57.03433	3.0
65.03938	3.0
68.99764	2.8
69.03428	14.4
70.06587	8.2
71.04978	1.8
71.42882	2.1
72.08167	2.6
73.02924	3.7
75.04449	2.1
75.08559	2.5
79.05493	8.1
81.03395	13.2
82.85987	2.0
84.08150	3.5
85.02901	31.3
86.09725	4.5
87.00829	6.6
91.05476	37.5
92.05732	2.1
93.03401	12.5
93.07046	6.1
95.04959	11.1
97.02906	11.5
99.04450	4.9
103.03972	2.3
103.05462	44.6
105.01869	5.1
105.03399	5.0
105.04507	2.3
105.07016	30.5
106.04172	20.2
107.04945	24.4
109.02867	15.4
109.06493	5.7
115.05440	7.4
117.07100	2.2
118.04132	3.7
119.04941	33.5
121.06503	26.5
123.04423	4.6
123.08068	2.0
125.05994	5.9
127.03926	16.6
128.06203	2.6
129.07021	2.6
129.10178	2.2
131.04919	98.8
133.06480	27.7
134.03625	3.6
135.04404	10.6
137.02342	3.5
137.05937	11.2
138.06644	2.0
139.03876	9.5
143.06026	3.0
145.03920	2.0
145.04961	6.3
145.06483	2.1
147.03357	2.6
147.04431	12.4
147.08080	4.1
148.05182	3.7
149.05966	37.6
151.03926	3.8
151.07555	17.9
153.09052	12.2
159.02960	5.5
159.08084	8.5
160.05171	3.9
161.05972	100.0
162.06700	5.4
163.03893	28.2
163.07538	51.9
163.08893	3.3
165.05453	1.9
167.07030	42.6
168.07330	1.7
173.06107	2.7
175.07487	12.0
177.05434	23.8
179.07011	27.4
180.07854	4.8
181.08597	18.9
187.05989	3.5
187.07501	27.9
189.05463	4.4
189.09067	2.4
190.06276	5.0
191.07013	14.6
192.07709	4.4
193.08635	6.5
195.06526	17.3
199.07582	6.0
205.06923	2.6
205.08615	27.0
207.06546	3.0
209.08066	98.3
210.08501	1.8
217.08478	9.2
219.02861	4.0
220.03340	2.6
221.08020	17.3
221.09599	1.7
233.08153	5.7
235.09689	15.1
249.09174	3.0
259.09686	4.0
263.09082	4.5
281.11661	1.7
287.05536	4.8
287.09064	4.2
289.07178	7.6
303.08682	3.6
305.10129	3.2
309.10980	2.7
339.12238	4.9
341.13876	17.3
353.13858	6.6
359.14755	6.8
371.14844	6.9
409.11304	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	672.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02364	0.8
53.03935	0.7
55.05500	2.2
65.03914	0.6
67.05496	2.1
69.03422	1.0
69.07067	0.7
73.06547	1.0
78.03442	7.8
79.05477	2.7
80.05013	6.1
80.20245	0.4
81.07045	2.7
83.04968	1.1
90.86219	0.5
91.05470	4.0
93.07021	3.4
95.04957	1.5
95.08589	4.3
96.04481	4.8
97.02863	1.3
97.06487	0.6
98.23471	0.8
105.04517	0.7
105.07018	7.1
106.02178	0.7
106.02907	14.3
107.04945	0.8
107.08590	3.6
109.06500	1.8
109.10137	0.8
115.05435	0.9
115.07557	35.5
116.07874	0.5
117.07001	2.1
119.08575	7.9
121.06470	1.1
121.10131	4.8
123.08051	1.5
124.03939	100.0
125.02374	1.1
125.04266	1.3
127.03973	0.7
128.06166	1.4
129.06992	2.2
131.08551	5.3
133.06482	1.1
133.08586	0.8
133.10120	9.3
134.07236	0.7
135.08052	2.9
135.11664	0.7
141.06926	1.1
142.07747	1.9
143.03371	1.1
143.07045	5.1
143.08524	3.2
144.09308	0.9
145.06416	0.6
145.10104	10.0
147.08028	1.8
147.11684	3.4
149.09634	1.3
153.05399	0.6
155.08511	2.3
156.09303	2.5
157.10112	6.1
158.10881	1.2
159.08032	1.2
159.11690	7.3
161.09604	3.0
161.13297	1.1
163.07462	0.8
165.06963	0.5
166.07782	0.6
167.08521	1.0
169.10138	2.3
170.10907	2.7
171.08049	1.2
171.11647	5.9
172.12381	1.5
173.09668	2.9
173.13258	4.9
174.13974	1.4
175.11153	1.6
175.14807	1.6
179.06924	0.5
179.08560	0.7
180.09309	0.8
181.10127	1.1
182.10997	0.5
183.08046	0.5
183.11658	6.4
184.12407	0.9
185.09578	1.4
185.13254	3.7
187.11183	1.6
187.14796	13.7
188.11945	0.9
188.15500	1.4
189.09013	0.6
189.12712	1.3
193.10101	0.8
195.11665	2.1
196.12372	0.6
197.13272	3.6
198.13991	5.2
199.11169	0.9
199.14795	3.2
201.09015	0.7
201.12643	2.2
202.13446	0.5
203.14281	4.7
205.15779	0.5
207.11729	1.2
208.12350	0.6
209.09615	1.1
209.13196	1.8
210.13986	0.6
211.11145	0.6
211.14822	1.2
213.09126	0.8
215.14299	1.3
216.15117	2.6
217.15799	1.4
221.13242	0.8
222.13968	0.9
223.11154	1.3
223.14731	1.1
225.12845	0.9
227.10722	0.7
227.14218	1.1
237.12756	0.9
237.16255	2.3
239.14288	0.7
239.17947	0.7
241.12305	0.6
241.15894	1.3
247.09634	1.6
255.17410	1.9
265.15982	3.3
269.15353	0.7
275.14297	0.5
283.16864	3.5
287.16382	3.1
293.15326	1.8
301.17975	2.4
310.17987	1.5
311.16367	12.7
312.16776	0.7
329.17438	13.6
330.17636	0.6
371.18417	0.6
434.19431	1.9
452.20505	1.5
492.25610	0.5
494.21619	1.1
512.22638	3.5
590.53778	0.5
594.26898	1.6
612.27881	1.3
672.29980	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	672.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05669	0.5
61.02917	1.5
61.17990	0.6
62.55008	0.6
63.52070	0.5
64.64367	0.5
65.03931	0.7
66.65433	0.6
67.05505	1.0
68.99805	1.2
69.03424	3.6
69.07084	0.7
70.06596	4.1
70.67477	0.6
71.04996	0.9
71.06927	1.1
71.40631	0.6
73.02901	1.0
73.06415	0.7
76.66119	0.7
79.05479	1.2
81.03412	1.0
81.07047	2.4
85.02901	9.7
87.04484	0.6
91.05470	4.0
92.05803	1.0
93.07041	1.5
95.08601	3.3
96.04490	2.7
97.02885	3.9
99.04492	1.2
102.77145	0.5
103.05455	2.5
105.07028	4.7
106.07365	1.1
107.08589	14.4
109.02879	1.6
109.06522	1.2
109.10184	1.3
112.08730	1.5
119.04946	0.7
119.08544	0.7
123.04447	1.8
125.09626	4.4
127.03898	3.0
131.04915	4.9
133.10130	9.1
137.05978	1.4
143.04813	0.7
145.04964	2.9
145.06430	1.0
147.04465	0.9
149.05974	7.5
151.03854	3.2
151.11205	1.1
153.09096	1.8
154.08607	1.0
157.06490	1.0
161.05949	0.7
163.03870	0.8
163.07481	4.1
165.09111	71.4
166.09441	2.9
169.10031	0.6
173.06021	0.7
175.07619	0.8
177.05406	0.9
179.10674	11.1
180.08626	1.0
183.08060	1.3
183.11682	2.0
185.00797	0.7
187.01372	0.8
187.03885	0.8
187.07573	3.9
189.09038	1.0
191.10670	12.4
197.09604	1.1
197.13159	1.4
200.08293	0.8
201.09109	2.3
203.10649	2.5
205.12212	9.2
207.11757	1.0
210.10258	0.7
211.11124	3.0
215.10681	2.3
217.12241	2.0
218.04456	2.0
219.04774	0.7
220.05116	0.6
225.12735	7.9
226.13225	0.7
227.10597	0.9
229.12256	4.0
230.12779	0.8
239.14272	0.9
239.17961	1.2
242.13023	1.6
243.13763	11.7
257.15408	1.1
267.17447	9.1
271.13211	1.6
271.16684	0.6
278.07843	0.9
280.08292	0.8
285.18472	62.7
286.18756	2.9
289.14249	1.7
313.17935	9.1
331.19019	100.0
332.19388	3.2
383.14078	1.6
384.14691	1.3
385.14880	0.8
400.14429	1.0
401.14178	1.0
493.23849	2.8
595.83673	0.7
637.15039	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	672.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
53.03939	2.6
55.05511	4.0
57.03426	3.1
57.07058	1.7
59.04983	4.2
60.12693	1.1
67.05499	14.9
68.96806	0.9
69.07062	3.8
73.02913	1.8
73.06538	5.5
77.03933	2.0
79.05482	12.6
81.03419	3.5
81.07059	7.8
83.04950	1.2
83.08620	2.2
85.02940	1.3
87.04465	2.1
89.06024	8.7
91.05472	6.1
93.07034	8.7
95.04957	8.8
95.08597	32.6
98.22608	2.4
103.05456	4.0
103.07583	1.7
105.03390	33.9
105.04527	3.5
105.07025	100.0
106.07368	5.6
107.08577	6.6
109.10147	2.3
111.04410	3.3
115.07562	51.4
117.07027	2.6
119.08582	9.6
121.06474	4.3
121.10142	4.7
123.08074	2.7
127.03915	3.0
129.07008	2.0
131.08553	7.6
133.06540	1.4
133.07664	1.2
133.08582	5.9
133.10135	6.3
133.93997	1.1
135.08084	1.6
135.11697	2.4
141.09149	1.3
142.07846	2.4
143.07045	11.1
143.08554	4.4
145.10118	10.5
147.08055	4.9
147.11700	2.6
149.09599	2.7
155.08527	4.6
156.09340	3.0
157.10110	8.8
158.10881	1.3
159.08070	1.3
159.10191	3.1
159.11684	5.8
161.09595	2.2
161.13268	2.4
165.07037	1.3
167.08508	2.4
169.10132	4.3
170.10895	3.1
171.11667	7.0
173.09543	2.1
173.13254	5.1
177.11246	1.9
179.08530	2.5
180.09407	1.4
181.10091	2.3
182.10870	2.4
183.11693	8.9
185.13280	3.0
186.91356	1.1
187.11140	2.2
187.14806	9.8
188.11838	1.8
188.15407	1.2
189.09090	1.3
192.09337	1.7
193.10152	3.7
195.11746	3.4
197.13220	8.8
198.14001	6.5
199.14818	1.3
201.12732	1.7
203.14285	5.8
206.11026	1.6
207.11661	5.3
209.13214	3.4
211.14798	2.4
213.11281	1.3
215.12671	16.9
215.14331	2.0
216.15094	1.6
219.11650	2.2
220.12521	1.6
221.13173	2.6
225.12721	4.6
225.16351	2.0
234.13892	2.2
235.11154	1.4
235.14830	4.0
236.15677	1.1
239.10745	1.6
245.20091	1.1
247.11195	1.2
249.16338	6.4
251.14320	3.5
251.17821	2.1
253.12212	2.1
253.15822	3.0
261.22162	3.1
267.13840	1.3
267.17371	3.2
277.15958	2.8
285.18491	3.0
288.99963	1.3
295.16882	25.9
296.16928	1.5
313.17947	32.7
314.18402	1.4
329.18927	1.9
331.18927	2.2
335.25760	14.3
344.40637	1.5
355.18924	3.2
373.20132	1.9
435.21899	2.0
475.34116	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	672.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22297	0.5
59.05000	7.4
69.03432	1.3
69.45675	2.6
70.06585	1.8
71.04989	1.9
73.02917	7.1
73.06557	3.2
78.99491	1.9
81.03419	0.6
84.04502	4.3
84.80563	0.5
86.09650	0.5
87.04461	19.8
88.03979	1.0
89.06026	100.0
103.06918	0.8
103.07564	5.2
107.07063	2.2
109.00523	0.6
113.00008	7.5
113.06013	1.0
115.07545	1.3
117.09106	2.6
119.04948	1.4
119.08577	0.7
121.02850	0.8
127.01559	62.1
130.04994	2.8
130.08653	1.0
131.04956	0.6
131.07031	5.4
133.08600	55.2
137.06006	0.7
139.01543	23.6
147.04395	2.0
147.10141	4.1
151.03870	1.5
153.03105	69.5
154.03476	0.6
154.04959	0.7
159.10167	1.4
161.11711	0.6
165.95088	0.6
167.07019	0.9
175.09666	2.7
177.05542	1.1
177.11211	14.6
178.11661	0.5
179.12791	0.6
183.04169	8.0
197.05727	26.9
199.07275	0.6
215.06960	0.6
217.08180	2.7
218.00841	0.6
219.12201	1.1
221.13763	2.3
227.06760	3.7
234.04724	0.5
241.08328	9.1
257.04434	0.7
259.09323	1.8
267.11087	0.5
271.09402	4.4
285.10989	3.3
287.05527	0.9
303.12009	1.6
315.11896	2.1
329.13724	0.7
347.14667	1.5
359.14697	1.2
391.17230	1.3
435.19724	1.1
435.90973	0.7
462.28122	0.5
494.18948	1.2
497.17807	1.1
562.22620	1.6
563.22327	0.7
577.21674	0.8
655.24048	0.5
655.33105	7.1
665.65887	0.5
672.20209	1.5
673.16534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.4
51.02370	0.4
53.03952	0.7
57.74740	0.3
59.04992	0.6
63.27309	0.3
65.65394	0.3
67.90884	0.3
68.63136	0.3
69.74314	0.3
69.74648	1.1
73.06549	0.7
77.03918	0.7
79.05046	0.4
79.05486	5.4
81.07071	0.7
86.09696	1.0
87.04455	6.2
89.06020	47.0
90.06344	0.4
91.05470	7.0
91.07595	0.5
93.07041	2.8
95.04968	3.4
95.57227	0.4
103.05447	7.3
103.06097	0.5
105.04526	1.3
105.07016	100.0
106.07363	1.4
107.04948	1.2
107.07059	1.2
116.06222	0.5
117.06995	1.2
117.09155	0.4
119.04933	1.4
119.08554	3.6
121.06492	18.6
122.06863	0.3
124.84966	0.3
124.99990	0.6
128.06223	0.9
129.06985	2.9
130.08627	0.6
131.07079	2.4
131.08549	6.1
132.05676	0.4
132.08922	0.3
133.08588	33.7
135.08040	0.6
139.01483	0.5
145.06424	0.8
147.08031	26.1
148.08325	0.6
149.09598	5.6
150.09904	0.3
164.90625	0.4
165.06993	0.6
165.09103	3.1
173.09575	0.7
175.09659	1.0
177.11189	13.2
179.08447	0.4
181.10123	0.7
184.07306	3.5
191.10628	0.7
193.12233	0.7
207.11639	0.6
209.11642	1.2
221.13840	2.4
223.11172	2.0
225.12723	14.8
226.12997	0.6
239.14787	0.7
240.84308	0.3
249.12642	2.0
251.14346	2.9
253.14201	0.7
269.15347	5.3
271.15399	0.7
283.17343	0.7
295.17014	0.5
311.16568	0.4
313.17899	1.8
315.18164	0.5
327.17072	0.4
341.19379	0.6
359.20520	0.7
373.21545	4.6
403.23050	0.9
424.36719	0.3
447.25888	3.4
463.26553	0.4
507.29370	0.6
551.32208	4.2
655.38062	1.7
656.39813	0.4
672.41718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03944	0.5
53.75591	0.4
69.03439	0.4
69.43491	0.8
69.43896	1.1
71.44589	0.4
73.06554	0.7
73.22626	0.3
77.03917	0.5
79.05491	5.8
81.93629	0.4
87.04468	5.5
89.06029	42.4
91.05479	7.0
93.07045	2.4
95.04975	2.8
103.05460	6.8
105.04529	1.1
105.07025	100.0
106.07359	1.6
107.04963	1.5
107.07055	1.4
110.72752	0.3
115.05417	0.5
116.06216	0.5
117.07006	1.3
117.09190	0.5
119.04951	1.2
119.08578	3.1
121.06501	19.2
128.06209	0.8
129.06993	2.3
130.08626	0.6
131.07111	2.2
131.08559	5.7
132.05725	0.6
133.08601	29.2
134.08945	0.6
135.08028	0.4
135.10179	0.4
145.06505	1.0
147.08043	25.4
148.08386	0.8
148.75218	0.4
149.09619	6.4
163.11137	0.5
165.09094	3.2
166.07785	0.4
173.09624	0.7
175.09622	1.4
175.11156	0.5
177.11205	10.8
181.10167	1.1
184.07364	0.9
191.10725	0.5
193.12271	0.7
208.08841	0.7
209.11765	1.5
218.96246	0.4
221.13855	2.2
223.11171	2.4
225.12738	14.3
226.13057	0.7
239.14978	0.5
249.12720	2.3
251.14256	2.5
253.14333	0.5
269.15341	4.7
271.15491	0.4
283.17719	0.7
306.26608	0.5
309.19089	0.7
313.18024	2.0
315.18213	0.5
327.17392	0.4
329.19138	0.5
341.19556	0.4
359.20435	1.0
373.21561	4.1
403.23120	0.4
412.66980	0.4
421.86847	0.5
447.25870	2.3
480.13266	0.4
507.29514	0.8
551.31989	4.7
552.32721	0.5
640.13837	0.4
655.38501	1.6
672.40302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.4
55.09057	0.7
57.03440	4.3
57.07074	37.9
61.02927	12.3
67.05499	9.8
69.03436	1.6
69.07064	6.5
71.04996	0.8
71.08629	27.9
71.43671	0.8
71.44038	0.9
73.02925	5.4
73.40244	0.7
75.04462	2.3
79.05493	1.3
81.07060	12.9
82.25808	0.7
83.08607	10.6
85.02895	14.0
85.10180	16.3
87.04472	1.3
89.06024	1.8
91.03953	10.1
93.07049	0.9
95.08600	22.3
96.92215	2.9
97.02870	5.0
97.10161	5.7
99.04452	0.9
99.11758	1.9
103.07539	0.8
105.07043	3.1
109.10159	9.8
111.11703	0.8
115.03944	1.0
123.11691	4.2
125.13273	1.4
127.03900	4.6
137.13269	2.2
138.05476	1.3
139.14815	0.7
145.04968	6.0
163.05998	10.6
180.02985	1.1
209.49939	0.7
221.22717	1.8
239.23686	23.3
243.87222	0.8
257.24765	3.9
300.08704	0.7
313.27350	100.0
314.27777	3.5
331.28409	28.0
332.28870	1.4
394.41202	0.7
411.29822	0.7
475.32550	1.4
621.90344	0.7
672.40369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76317	0.9
55.01857	1.0
55.05497	3.2
57.03432	3.8
57.07073	35.0
57.79630	1.0
58.32856	0.9
61.02926	14.7
67.05500	8.3
69.03427	1.8
69.07070	5.4
70.02513	2.3
70.07957	0.9
71.08629	26.1
73.02905	4.2
75.04470	2.4
81.03411	1.1
81.07050	12.5
83.08614	11.3
85.02896	17.0
85.10180	16.4
89.06019	2.2
90.34828	1.0
91.03955	13.2
95.08023	2.0
95.08594	21.7
97.02897	7.2
97.10179	5.6
99.11758	1.3
103.07510	1.2
109.10157	8.7
114.17235	0.9
119.96332	1.1
123.11711	4.6
127.03890	5.5
137.13190	1.6
145.04909	6.2
163.05995	12.2
221.22563	1.2
239.23692	23.2
257.24789	4.3
313.27344	100.0
314.27643	2.9
314.34906	0.9
316.04492	1.1
319.21548	1.1
329.08115	1.1
331.28378	36.8
473.95389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.5
56.16417	1.5
57.06818	1.9
57.07074	25.0
66.25594	1.5
69.07043	3.6
69.13078	9.2
71.08629	26.4
73.06538	8.4
81.25198	1.4
83.08636	3.4
85.10177	12.6
87.04456	8.6
89.06023	100.0
94.54887	1.6
97.10165	4.5
99.11697	1.8
103.05453	2.0
105.07022	37.8
106.07362	5.8
107.07095	2.6
108.50201	1.4
111.11719	2.5
116.97276	1.3
117.09109	8.1
125.13306	1.8
127.01537	3.0
130.08662	2.1
131.06998	3.0
133.08597	58.0
141.16301	1.7
153.03149	3.1
177.11205	25.3
186.24138	1.6
197.22639	1.5
221.13852	2.7
241.25264	3.0
285.25046	1.7
285.27890	6.4
329.30554	3.6
347.91638	1.6
377.26120	1.4
459.28381	2.5
655.50208	3.4
672.52228	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	673.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33618	0.4
68.99782	3.3
69.94225	0.6
69.94574	1.3
71.33516	0.4
79.01819	0.8
96.60583	0.4
103.05459	0.5
107.01299	0.8
107.04945	1.7
115.05381	0.7
118.04131	0.5
119.04933	1.0
120.04477	0.7
121.02866	4.1
126.68176	0.4
131.04939	2.7
131.05736	0.5
132.04428	2.0
138.01872	3.7
138.10007	0.4
142.06470	0.6
144.04453	0.8
145.02867	2.6
155.49962	0.4
156.03137	0.4
156.04372	2.7
158.06007	5.5
160.03911	0.7
166.01331	3.0
168.02858	0.6
170.06003	6.9
182.05984	0.7
184.02452	0.7
184.03920	3.1
186.05513	6.8
198.05495	10.0
199.06088	0.4
203.05804	1.6
210.05482	1.0
212.03432	1.2
214.04953	1.1
226.04976	8.3
227.05725	4.4
230.04466	2.2
238.04892	0.7
240.02820	0.8
241.04955	0.6
242.04590	0.9
254.04504	5.5
255.05193	3.9
270.03882	3.6
270.06668	0.6
272.05551	3.3
282.03952	30.2
283.04718	6.3
284.05429	0.7
289.92599	0.4
300.05008	100.0
301.05521	4.9
360.08746	0.8
386.10196	7.8
387.10861	2.0
388.11441	0.4
402.09695	88.4
403.10101	5.8
429.11777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	2.9
70.55480	0.9
70.55823	0.5
74.14044	0.5
89.06054	0.6
96.92195	1.5
98.22775	0.6
103.05441	0.7
110.02371	1.4
123.04399	1.4
131.04918	1.6
135.70241	0.5
137.02335	3.1
138.01825	5.0
140.04953	0.9
147.04384	1.5
148.03934	2.1
150.05417	0.5
156.03072	0.6
156.04416	1.2
158.05998	0.8
160.03905	1.8
161.02304	1.7
166.01364	4.5
170.05977	1.5
172.03877	2.8
174.05501	3.9
176.03456	0.6
178.01445	0.6
184.02374	1.5
184.03952	1.1
186.05502	7.0
187.06239	0.5
196.04022	1.1
198.05421	0.8
200.03487	3.4
202.04979	7.1
210.05316	0.5
214.05005	9.3
215.05789	0.6
218.04340	1.1
219.05217	1.1
224.03383	2.2
225.05464	1.6
226.05017	1.0
228.02901	2.1
230.04456	1.2
242.04439	7.6
243.05183	3.6
246.04016	1.4
252.02927	1.6
254.04561	0.7
258.04077	1.0
266.04266	0.7
270.03958	4.9
270.07474	1.2
271.04803	3.5
280.02396	1.7
284.05560	2.7
286.03439	2.9
288.05023	2.9
298.03442	29.1
299.04193	7.4
316.04498	96.2
317.04959	4.6
360.08450	0.8
370.10587	0.7
402.09695	100.0
403.10223	9.0
547.76935	0.7
681.61316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
56.87933	0.7
57.50262	0.9
68.99789	3.3
70.85784	0.8
71.43748	0.8
71.44152	0.9
79.01839	1.3
88.67139	0.8
107.01276	0.9
107.04967	1.5
120.04468	1.2
121.02856	3.7
131.04924	3.3
132.04459	3.5
138.01897	4.7
144.04507	1.1
144.20407	0.9
145.02873	2.2
150.06859	0.9
156.04474	2.9
158.06027	6.7
166.01360	4.1
170.06010	8.8
182.05928	1.0
184.03944	3.1
186.05478	8.2
198.05528	11.0
203.05798	2.5
204.21039	0.9
210.05519	1.3
212.03410	1.4
214.05035	1.2
226.04988	9.0
227.05780	4.1
230.04477	3.0
238.04950	1.2
242.04298	2.2
254.04454	5.3
255.05255	4.3
270.03906	4.6
272.05469	4.1
282.03961	34.5
283.04694	6.7
300.05008	100.0
301.05511	4.7
386.10208	99.5
387.10577	8.3
402.09668	5.4
403.10440	1.8
564.42432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42587	1.2
59.46314	1.5
68.99783	13.7
69.13234	2.9
69.13642	5.4
70.02952	4.6
74.56156	1.1
77.03913	1.5
81.03413	3.2
82.95855	1.2
83.03716	4.3
84.04495	1.6
87.51627	1.3
88.80154	1.2
91.05473	4.4
95.04917	2.3
96.04466	2.7
98.22701	2.6
99.09502	1.3
100.03981	1.7
100.70748	1.3
103.05464	26.0
105.03393	1.3
105.07028	4.1
110.02422	2.4
111.03183	28.5
112.03969	2.8
113.86440	1.3
115.03990	1.4
120.04443	1.9
122.02377	2.2
124.03951	5.9
126.01872	31.2
128.04247	1.5
131.04926	76.2
132.05278	2.0
136.03940	6.2
137.04665	1.5
138.01852	33.5
139.02632	9.1
140.03458	1.8
147.00708	2.8
147.04335	1.5
151.04059	1.3
152.03427	17.3
154.04970	9.0
156.02910	100.0
157.03592	1.8
162.01886	2.3
164.03439	1.7
165.01764	2.4
166.04988	5.2
166.99791	2.7
168.00615	1.7
169.01340	2.3
170.04549	3.0
173.06046	2.9
176.03380	7.8
178.05000	2.7
180.02917	3.2
182.04335	1.2
184.06050	3.4
185.00809	16.3
187.00275	3.6
190.01389	5.5
190.08612	3.4
190.11243	1.4
192.02928	2.2
194.04492	4.1
196.07578	1.6
200.24150	1.6
204.02924	50.0
205.01335	5.2
208.02379	4.1
214.08669	2.0
214.99684	2.8
219.04112	1.4
220.02388	25.3
222.03940	11.9
224.07173	2.9
225.07843	2.2
226.08513	1.9
231.57220	1.5
232.02319	6.9
233.05502	1.9
238.03485	2.2
240.04948	2.4
242.08119	72.1
243.06503	1.4
243.08891	33.1
244.09444	1.5
249.05161	3.0
250.03453	3.0
255.06548	1.9
257.08069	1.9
264.05090	1.9
266.03076	1.4
266.08127	2.2
270.11203	15.9
271.06000	18.2
273.07578	3.6
280.04663	6.4
280.09741	2.7
282.06030	6.7
283.06113	2.2
290.08072	1.7
291.06445	4.9
297.07132	1.6
298.05661	2.7
300.07098	3.7
307.10950	2.0
308.09183	25.0
314.12759	3.3
322.10684	4.1
323.10159	3.7
324.08490	16.7
324.11328	1.7
325.11914	11.7
326.10208	7.8
336.08591	1.8
339.10846	2.1
343.12918	2.3
352.10544	1.7
353.11151	4.2
363.03342	2.2
365.11215	1.7
366.09549	2.1
367.10312	7.0
368.11215	17.4
384.10672	5.2
385.14041	6.3
386.12277	9.8
401.13382	2.2
403.14850	3.5
458.08521	1.5
467.09683	2.5
474.08252	1.6
491.10092	2.6
492.09476	1.5
501.14801	3.0
509.11844	5.1
534.10406	2.3
552.11279	3.3
569.13464	2.7
578.13855	1.5
588.12628	1.7
613.17865	3.9
620.15613	1.6
637.17706	2.0
638.16022	4.1
655.18347	3.5
656.17609	6.4
673.20111	22.9
674.20624	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	673.2488
Annotation	Saccharumoside A
Peak:m/z	Relative Intensity
53.03942	0.5
55.01870	0.8
59.19081	0.5
61.13214	0.5
62.76344	0.6
65.03941	2.5
67.05495	1.6
69.03424	2.4
69.15966	1.6
69.16356	1.2
81.03414	2.6
83.04953	1.1
84.04477	0.9
85.02898	3.1
91.05476	1.6
93.03392	2.1
95.04975	1.4
97.02890	1.2
97.06533	0.9
99.04454	0.8
108.02113	1.3
109.02868	1.2
111.04437	3.7
115.05329	0.6
116.01547	0.6
119.04935	1.1
119.08597	0.9
119.84239	0.6
121.02896	1.9
125.05988	3.2
127.03895	0.8
129.06984	0.7
131.08554	1.5
133.10135	1.1
137.05975	1.4
138.04198	0.6
141.05464	1.3
145.10022	0.8
147.04391	1.0
151.03906	100.0
151.04991	7.1
152.04245	1.8
159.07961	0.9
159.11671	0.6
163.34088	0.7
169.01285	0.7
169.04961	6.6
171.07866	0.9
174.06815	2.0
189.09096	3.8
201.09039	1.3
203.10649	1.8
217.08290	1.1
219.10162	13.8
257.04443	1.6
275.16443	0.8
285.03964	1.8
286.04642	4.4
287.05545	1.7
295.08115	1.7
313.09207	7.5
329.55670	0.6
434.20129	1.3
452.20825	2.4
470.91788	0.7
497.18024	2.4
566.18231	0.6
581.25378	6.5
629.31573	1.3
641.24768	1.3
673.30292	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	673.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71670	0.7
54.98558	0.6
57.03428	0.7
67.05510	0.9
69.07056	1.0
69.59743	0.7
71.43176	1.0
75.65594	0.7
79.05482	1.5
86.09727	0.7
87.04456	1.6
87.66895	0.7
89.06020	2.0
91.05463	1.4
93.07050	2.6
94.06577	3.8
95.04970	0.9
95.07368	1.5
96.08114	6.8
108.08139	4.4
110.09676	10.4
120.08091	7.0
121.02880	1.3
122.06039	2.7
124.03969	1.1
124.07613	0.8
134.06015	1.0
136.07574	4.4
138.05522	4.0
138.09135	10.5
147.04358	1.3
148.07581	2.0
166.08627	14.3
192.06534	0.8
195.09293	0.9
209.10736	3.2
225.10242	0.9
235.08607	3.3
236.09433	4.5
237.10207	18.9
238.10707	1.0
239.11873	1.3
249.10187	13.7
250.07323	1.1
250.11082	3.2
251.08321	0.7
251.09573	0.7
251.11792	5.3
252.08864	1.0
253.09682	1.9
255.11223	1.5
261.10117	1.7
263.08124	2.5
263.11713	1.2
264.08932	10.0
264.61859	0.6
265.09753	10.0
266.10483	1.3
267.07175	0.7
267.11298	4.1
269.09311	1.3
277.09692	12.5
278.10562	3.7
279.08063	1.3
279.11249	12.9
280.11981	1.7
281.09262	2.7
281.12662	1.3
282.10062	1.0
283.10892	1.3
285.12418	0.9
291.07565	1.3
292.08490	1.9
292.12021	0.8
293.09210	46.5
293.12784	4.3
294.09613	2.0
295.10699	3.4
304.08594	0.9
305.09164	8.2
305.90775	0.7
306.10159	1.9
307.10709	11.0
308.11575	0.6
309.08792	2.2
309.12457	3.1
311.10355	2.7
311.13913	1.3
312.11261	1.1
313.11884	2.2
319.10849	1.4
321.08658	0.8
323.10220	5.9
324.11072	1.3
325.11768	4.1
326.12561	0.8
327.13400	1.2
329.48074	0.7
330.12411	0.8
333.08658	4.8
337.11835	4.5
338.44385	0.8
339.13513	7.2
351.09732	22.6
351.13431	0.9
352.10449	0.9
353.11295	2.3
353.15192	1.4
354.12289	1.6
355.13013	2.4
356.13632	1.1
364.14688	0.8
365.11050	4.0
366.12134	2.9
367.13095	0.9
368.13654	1.1
369.14810	2.0
370.11404	1.6
370.15552	1.3
371.12274	3.5
382.11566	1.3
383.12308	7.8
384.17056	1.1
385.13696	3.8
386.14594	1.2
390.18146	0.8
392.14151	0.8
397.13995	5.8
398.14725	3.1
400.16583	1.2
410.14609	1.2
412.16696	1.2
418.17633	2.0
428.15970	1.9
438.14291	2.9
442.17010	0.8
446.17047	13.5
456.15622	6.0
457.15921	0.9
462.20346	1.0
476.18085	4.9
478.19769	9.4
488.18115	2.2
490.20038	1.2
504.17865	1.4
518.19012	2.7
519.20062	2.9
520.20496	1.9
536.20233	5.1
550.21838	47.2
551.22589	100.0
552.22778	6.8
591.21899	0.9
609.23407	3.1
623.24652	2.0
641.25830	9.4
673.32849	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	673.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.03424	0.7
61.02916	0.7
69.03426	2.2
70.68769	1.0
74.08786	0.4
75.65604	0.5
78.23009	0.4
79.05494	0.7
81.03406	1.2
81.07052	1.4
85.02902	8.4
91.05470	1.1
93.07027	2.0
95.08593	1.5
96.51194	0.5
97.02889	2.3
99.04446	0.7
104.64484	0.4
107.08589	2.5
109.02905	0.7
109.10134	1.3
111.86298	0.5
121.10139	2.2
127.03938	1.0
133.06409	0.4
135.04419	0.9
135.08038	0.6
137.05934	0.6
143.08572	0.7
145.04959	1.3
147.07881	0.5
149.05933	0.6
151.03870	1.8
161.05974	0.7
163.03882	3.0
163.07539	1.7
165.05466	23.0
166.05861	0.5
171.07979	0.5
175.07571	0.8
177.05455	14.4
177.09001	0.9
185.09653	0.7
187.07437	0.5
189.05432	2.4
189.09100	1.7
191.07018	17.8
192.07310	0.7
193.08606	2.1
195.06541	1.5
197.09721	0.7
201.09100	1.1
203.06976	1.7
203.10690	0.8
205.08690	0.6
213.09122	0.9
215.10597	0.8
217.08580	10.2
219.10114	0.8
225.09052	0.5
227.10674	0.8
229.08496	1.0
230.09387	0.6
231.10138	1.0
235.09509	0.8
243.10150	1.5
285.15021	0.5
303.15878	7.3
304.16415	0.4
313.17917	1.4
331.19012	37.0
332.19305	1.8
349.20062	100.0
350.20428	5.0
385.06644	0.4
511.25415	2.9
525.90930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3401
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
51.80696	0.6
54.37282	0.5
70.03054	1.6
78.75272	0.6
91.05513	0.8
97.02847	0.7
107.04939	0.7
109.07579	0.6
120.08193	0.7
121.02878	2.5
121.06477	0.9
151.03955	0.7
167.14365	0.5
177.05447	0.7
209.08365	0.7
210.08212	0.6
255.06718	0.8
265.07236	1.3
267.35669	0.7
287.05518	1.4
421.05426	1.2
497.18082	1.3
623.35229	0.7
673.34039	100.0
674.34253	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	674.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92282	1.0
55.01895	1.1
55.05519	1.1
55.63140	0.9
57.01433	1.1
57.93142	1.0
59.04985	1.1
60.25337	1.1
61.16389	0.9
63.00056	2.8
65.03941	4.6
67.05501	2.5
69.03423	2.8
69.51244	2.1
69.51641	2.9
78.16689	1.1
81.03413	1.4
83.04964	1.9
85.02917	2.2
86.97785	1.0
87.00829	1.1
87.04465	3.9
89.03924	4.6
89.06028	4.3
90.23960	1.1
91.05452	1.5
93.03405	5.6
93.07082	1.2
97.02892	68.1
98.23417	2.1
101.06011	5.6
102.60712	1.1
105.01861	1.0
105.04507	1.3
109.02881	1.9
111.04398	1.8
115.05410	1.1
117.03373	14.9
117.07005	1.3
121.02863	3.9
128.06171	1.2
129.07007	4.6
133.08585	3.0
134.03612	1.2
135.04439	1.5
136.16621	1.1
141.06998	1.2
145.02847	50.9
147.04398	1.2
149.02344	6.1
149.06017	5.5
151.03903	2.2
157.06516	5.5
167.03403	38.9
167.04831	2.5
169.06558	1.3
175.07555	1.2
177.05467	100.0
178.05807	2.8
185.06050	1.5
187.07521	1.7
189.05515	1.5
189.09099	7.6
199.07567	4.0
207.06427	1.5
217.08656	5.9
227.07103	2.6
245.08063	6.5
255.06538	2.0
273.07648	3.0
291.08600	28.5
309.09616	5.0
405.06039	1.5
406.06415	1.1
465.81848	1.2
551.86621	1.3
557.14886	4.8
671.70819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01863	3.7
55.05507	2.2
57.02378	0.7
57.03426	2.0
57.07061	2.7
61.02926	2.2
65.03912	1.1
67.05498	3.3
68.99777	2.1
69.03063	1.0
69.03426	19.3
69.07053	3.2
69.48292	2.2
71.04992	3.4
73.02936	3.3
77.35465	0.7
79.05466	3.6
81.03411	60.7
81.07052	6.1
83.04964	1.5
83.08568	1.1
85.02898	34.0
85.03416	1.7
87.00826	17.4
87.82021	0.7
91.05450	5.3
93.07037	8.3
95.04947	2.7
95.08601	9.0
96.08872	0.7
97.02887	24.1
97.06500	1.6
98.22773	1.6
99.04445	7.5
101.02370	1.6
105.01165	0.9
105.01859	13.5
105.07030	11.2
107.04961	0.8
107.08586	8.3
109.02866	22.8
109.06503	3.3
109.10130	2.2
111.04436	1.8
111.08107	1.1
114.51872	0.7
115.03905	2.1
117.01839	1.8
117.06982	3.9
119.08573	15.6
121.06512	1.8
121.10113	5.6
123.04443	0.9
123.08040	2.2
123.11748	1.4
125.05999	1.2
127.03905	49.5
129.01822	2.0
129.06975	2.8
130.07819	1.2
131.08566	11.8
133.10126	9.8
135.08031	4.0
135.11690	2.0
139.03883	0.7
139.07495	0.8
141.06935	1.7
142.07776	2.7
143.08572	8.3
144.09312	2.0
145.04942	10.3
145.10109	48.5
147.02821	1.0
147.08022	1.9
147.11664	9.3
149.09599	2.6
149.13303	1.0
153.05418	1.6
154.07857	0.9
155.07310	0.7
155.08528	3.0
156.09367	4.7
157.10117	13.6
158.10846	2.7
159.02879	7.2
159.08008	2.6
159.11684	13.9
160.12109	0.8
161.09583	2.7
161.13216	3.0
163.07610	0.8
163.11208	1.2
165.07002	0.7
167.07143	0.8
167.08533	1.4
168.09338	1.5
169.05045	0.8
169.10101	7.6
170.10904	7.8
171.11679	11.3
172.08861	0.9
172.12471	6.1
173.09645	3.3
173.13257	12.4
175.11185	2.2
175.14774	2.1
177.12662	1.0
177.16426	0.9
179.08531	1.2
180.09267	0.8
181.05045	1.0
181.08646	1.1
181.10086	4.0
182.10898	2.0
183.11702	6.6
184.12410	1.5
185.09624	2.1
185.13235	12.0
186.10324	1.2
186.13956	1.1
187.14798	100.0
188.15138	4.1
189.03909	1.3
189.09035	1.1
189.12718	0.9
192.09363	1.4
193.08592	0.8
193.10129	3.1
194.10890	1.7
195.11656	5.1
196.12491	3.7
197.09683	1.5
197.13260	7.2
198.14058	1.4
199.11186	1.0
199.14793	5.8
201.09099	1.4
201.12738	2.6
201.16356	4.8
203.10776	1.0
203.14278	4.3
205.10123	1.4
205.15846	10.7
207.11702	4.0
208.12425	1.0
209.13210	7.0
211.11147	2.1
211.14783	14.2
212.15253	0.9
213.03897	3.1
213.12840	1.4
213.16359	6.8
215.10625	2.2
215.14285	3.9
217.15785	1.5
220.12431	3.2
221.13219	3.6
222.13953	0.9
223.14783	3.2
224.15259	0.7
225.12761	1.8
225.16286	4.1
227.10635	1.1
228.11165	0.8
229.12192	1.0
229.15863	6.7
231.04971	11.6
231.10081	2.2
231.17326	0.9
233.11630	1.2
234.13933	1.8
235.14771	8.7
236.15359	1.0
237.16293	2.4
239.17769	1.3
241.12201	1.2
241.15851	0.9
243.17340	0.8
249.05862	1.4
249.16409	3.8
251.17903	1.1
253.12170	1.6
253.15884	4.5
255.13676	2.1
257.11490	0.8
267.17371	4.4
269.15375	0.9
271.13010	0.9
271.16913	5.4
273.14688	1.1
277.15854	2.4
283.16934	1.0
285.15399	1.0
285.18362	3.4
287.16409	2.3
295.16946	13.0
297.18338	3.5
303.19510	1.9
313.17944	27.4
314.18198	1.7
315.19543	20.4
329.17291	1.2
331.19009	80.2
332.19495	3.5
349.20084	5.1
355.19083	1.0
373.20010	1.0
380.59854	0.7
399.18085	1.7
413.87979	0.8
417.19211	1.3
435.20074	17.6
436.20294	1.0
439.20551	0.8
525.21301	1.5
543.22321	1.8
561.23041	3.0
579.24353	13.5
606.53088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93195	1.4
53.03942	6.7
55.01859	8.5
55.05508	10.6
57.03436	3.8
61.02919	4.5
65.03924	2.7
67.05500	12.9
68.99795	3.9
69.03427	21.5
69.07066	7.3
70.10023	1.7
71.05000	9.4
73.02918	4.4
79.05482	15.1
80.28950	1.5
81.03403	26.6
81.07053	19.7
83.04980	61.4
83.08624	2.2
84.04497	1.9
85.02901	47.5
85.06527	2.1
87.00829	12.0
87.04453	3.3
89.06049	1.8
91.03927	2.1
91.05470	30.8
93.07040	19.7
95.04983	12.5
95.08602	22.9
97.02898	13.5
97.06512	10.3
99.04442	13.8
99.45783	1.4
100.11314	1.7
103.05468	3.8
105.01873	9.5
105.07026	26.9
107.04968	4.8
107.08592	18.0
109.02869	16.1
109.06525	11.8
109.10148	8.5
111.08086	9.1
115.05447	4.9
116.06136	1.5
117.01878	2.5
117.07019	16.7
119.04955	7.1
119.08572	16.5
121.02861	5.3
121.06485	8.6
121.10149	10.4
123.04417	17.9
123.08041	9.9
123.11679	1.9
124.03957	3.0
125.06017	3.7
127.03915	22.9
128.06218	7.2
129.06993	17.7
130.07802	2.1
131.04958	3.6
131.08565	22.5
133.06471	8.3
133.10132	12.0
135.08066	15.0
135.11688	2.8
137.05948	3.2
137.09587	3.7
141.06970	13.5
142.07753	6.2
143.08563	23.0
145.02849	3.2
145.04964	7.7
145.06482	6.7
145.10101	21.7
147.04391	13.0
147.08038	7.4
147.11693	6.3
148.03902	3.2
149.06030	8.9
149.09567	8.6
149.13118	1.5
151.11201	3.8
153.06979	2.3
153.09029	1.7
154.07796	3.6
155.08543	16.7
156.09354	11.5
157.06589	1.9
157.10123	25.8
159.02940	8.3
159.08040	5.2
159.11707	10.0
161.05971	1.7
161.09622	9.7
161.13277	5.0
162.10388	7.0
163.03926	4.3
163.07489	10.4
163.11217	6.7
165.06985	5.4
165.09102	100.0
166.07808	3.5
166.09454	2.1
167.07239	2.3
167.08586	8.7
168.09335	5.3
169.06447	2.4
169.10123	18.5
171.08107	5.5
171.11670	25.0
173.09599	7.9
173.13283	5.8
175.11130	12.0
177.05511	2.9
177.09093	3.5
178.07761	3.1
179.08591	6.7
179.10677	2.5
180.09297	2.3
181.10117	12.1
182.10872	6.2
183.08067	4.3
183.11705	15.4
185.09621	4.8
185.13234	8.7
187.11230	5.8
187.14752	2.4
189.09143	4.8
189.12776	10.4
191.08809	2.3
191.10698	6.8
192.09360	4.4
193.10147	8.9
193.12349	1.9
195.11653	12.6
196.12379	2.3
197.09639	4.7
197.13246	18.5
198.13657	2.3
199.11153	9.4
199.14838	4.6
201.12747	5.1
203.10672	3.5
205.10272	3.7
205.12207	19.7
206.10876	3.9
207.11719	15.1
209.09674	3.3
209.13286	6.4
211.11203	6.0
211.14870	3.6
212.12054	1.8
213.12753	6.1
215.10638	3.2
215.14253	10.6
217.10228	2.5
217.12180	16.5
219.11731	5.7
220.12572	3.7
221.13293	6.9
223.11179	3.4
223.14850	5.6
225.09183	2.2
225.12675	8.7
225.16330	2.0
227.14354	2.5
229.12175	3.8
231.04900	3.5
233.13402	2.4
235.10956	2.1
235.15118	2.2
237.16408	3.6
239.14201	3.3
239.17970	6.1
241.16005	3.3
243.11600	2.0
243.13869	10.0
249.16454	8.2
251.14366	6.0
255.17386	2.8
257.15466	5.2
257.19016	2.3
259.14951	3.4
263.81238	1.8
265.07117	3.7
265.15842	2.3
267.17566	22.4
269.15375	3.8
271.16931	2.8
277.15872	5.8
283.16983	3.2
285.18460	19.3
287.20016	20.3
295.16931	21.5
313.17960	86.7
314.18292	3.8
315.19553	8.5
331.18936	11.3
333.20596	27.5
355.19095	2.6
373.20084	34.0
374.20624	3.7
391.21201	8.7
405.06277	2.9
421.05695	2.3
459.27524	4.3
477.28888	2.6
497.18018	2.1
498.18774	8.4
527.14673	2.6
588.28253	2.0
628.21448	3.4
656.21130	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	674.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34703	1.8
51.37742	1.5
53.03954	12.3
55.01870	7.0
55.05511	4.4
57.03434	4.1
57.07066	2.5
61.02941	2.7
65.03945	2.9
67.05496	5.7
68.98035	1.8
68.99796	3.6
69.03431	22.7
69.07066	7.4
70.53664	2.2
70.54009	1.6
71.04975	6.2
77.03473	2.0
77.03938	1.7
79.05496	5.4
81.03416	76.0
81.07062	9.9
83.04974	2.5
83.08617	2.5
84.63706	1.7
85.02906	55.7
85.06558	1.9
87.00837	24.0
91.05483	7.3
93.03378	2.5
93.07030	9.9
94.75217	1.8
95.04980	5.4
95.08593	15.8
97.02891	29.2
99.04462	7.8
104.04415	1.8
105.01869	18.6
105.07042	11.3
107.05029	2.2
107.08580	13.4
109.02870	34.1
109.06531	4.1
109.10159	10.1
109.36806	1.8
111.04442	8.2
111.08077	2.5
117.07003	3.0
119.05029	1.8
119.08580	18.7
121.06482	3.3
121.10147	17.9
123.08066	4.5
123.11725	2.1
125.05973	4.6
127.03913	73.5
129.01851	4.1
129.06967	2.2
131.08548	10.9
133.06549	2.3
133.10103	10.3
135.08057	7.2
135.11681	4.2
137.05991	13.6
137.09605	1.9
139.07523	1.8
141.05473	3.6
141.06984	2.1
142.07751	2.3
143.08562	7.1
145.04958	10.9
145.08980	2.7
145.10120	39.1
147.04431	3.6
147.08026	2.6
147.11685	11.0
149.09641	4.6
149.13286	2.7
151.03911	100.0
151.04980	7.2
155.08540	5.5
156.09326	2.8
157.10085	12.6
157.11215	1.9
159.02902	7.5
159.11708	17.8
161.09587	2.4
161.13243	4.6
163.07561	3.4
163.11185	2.4
169.04967	9.3
169.10106	8.7
170.10854	4.3
171.11710	8.3
172.12401	4.8
173.09589	2.6
173.13260	12.6
175.11177	3.4
175.14812	3.5
177.12772	3.5
177.16376	48.6
183.11714	10.1
183.22752	1.8
185.13251	12.0
187.11192	3.3
187.14825	74.8
188.15283	3.1
189.09044	3.5
191.14355	2.3
193.10011	2.7
195.11696	4.9
196.12535	2.3
197.13258	5.4
199.14833	3.1
201.12804	3.1
201.16414	7.2
203.10641	3.6
203.14308	3.6
205.15874	24.4
206.16188	1.8
207.11729	2.6
208.12718	2.2
209.13268	5.9
211.14822	11.9
213.03935	3.0
213.16385	3.6
215.10703	7.9
215.14339	4.2
223.09576	2.9
223.14777	3.7
225.16370	6.4
229.15872	6.6
231.04967	10.7
231.17384	2.5
234.14098	2.8
235.14813	3.5
237.16382	2.2
239.17912	2.1
247.17000	2.4
249.16455	3.7
251.16536	1.9
253.15784	5.6
267.17398	2.8
271.16861	8.2
277.15854	2.0
285.15387	2.0
285.18448	7.9
285.91318	2.1
287.16483	2.1
289.17902	5.3
295.08127	4.6
295.16873	7.5
303.19540	3.7
313.09192	6.6
313.17978	28.1
315.19427	8.8
321.20715	2.7
331.19031	85.2
332.19397	4.4
349.20090	48.4
373.20242	2.4
435.20093	5.8
579.24109	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	674.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01876	0.4
55.05522	0.3
57.03435	0.5
61.02919	1.1
63.07691	0.3
66.33720	0.3
68.99773	0.6
69.03432	2.4
69.46642	0.8
69.47049	0.5
81.03405	1.1
81.07047	0.5
85.02903	9.2
91.03958	0.5
91.39134	0.3
93.07037	0.5
97.02904	2.7
97.06569	0.3
99.04465	0.3
103.05468	1.2
106.88512	0.3
107.08584	0.6
109.02864	1.1
109.06480	0.3
109.10146	1.2
112.18359	0.3
117.07006	0.4
121.06506	0.3
123.04444	1.4
127.03893	1.8
131.04919	4.1
132.05704	0.3
135.11682	0.6
137.05986	0.8
145.04956	2.4
145.06494	1.2
149.05984	5.9
157.01364	0.4
157.06480	0.4
163.06174	0.6
163.07520	5.4
165.09111	100.0
166.09448	1.8
168.03018	0.5
173.06030	0.3
175.07552	0.9
177.05437	0.4
179.10689	2.1
179.46281	0.3
180.08594	0.4
185.00758	0.4
189.09067	0.4
191.10661	2.7
197.09627	0.4
205.01331	0.4
205.12242	18.5
206.12456	0.4
215.19604	0.3
217.12238	2.9
229.12289	0.4
232.02437	0.4
243.06557	0.3
245.15343	0.8
253.15936	0.4
271.16940	2.8
272.09082	0.5
279.93140	0.3
287.20050	15.6
288.20154	0.5
305.87332	0.3
315.19547	6.3
317.17560	1.6
333.20593	23.7
334.20984	1.0
368.11261	0.7
422.93042	0.3
495.26187	0.4
674.84064	0.4
694.46405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	8.0
56.05287	0.8
58.06595	2.5
68.05010	0.7
70.02950	0.6
70.06585	91.7
71.06935	0.8
72.08138	0.4
74.06072	29.0
84.04499	7.0
84.08134	38.8
85.08514	0.4
86.06055	1.3
86.09695	19.8
86.79924	0.4
87.05584	0.6
88.03978	2.2
88.28801	0.5
98.09697	1.4
101.07126	12.3
101.10774	2.1
102.05516	0.7
112.07608	0.7
116.07112	2.0
124.11185	1.0
125.07087	3.2
126.09135	2.8
126.12787	1.2
128.07094	0.5
129.10222	22.0
130.04958	0.4
130.08629	19.8
137.07147	0.4
139.08630	0.8
142.12251	4.6
143.11807	3.3
147.10078	1.0
147.11266	20.5
148.11607	0.5
153.10234	1.2
155.08224	1.1
155.11810	1.1
157.09773	0.4
167.08153	1.6
167.11845	1.2
168.06496	0.4
169.13339	1.0
170.08089	0.6
170.12903	0.4
171.07674	1.0
171.11266	13.8
181.09750	1.6
183.11316	0.5
185.09218	6.3
185.12767	0.7
187.10857	2.5
187.14394	33.6
190.09705	0.4
194.12904	0.5
195.07582	2.3
196.06026	5.4
196.10857	1.0
199.10750	7.7
204.13397	0.9
208.10860	0.8
211.10884	0.5
212.13922	1.7
213.08704	3.1
213.12357	1.7
214.11787	1.1
215.13870	4.9
217.11821	1.8
222.12405	0.8
229.11900	1.5
230.14972	6.0
231.57822	0.4
237.86848	0.4
240.13387	1.6
248.16022	15.2
249.16350	0.7
251.10381	0.6
252.09837	1.0
254.11279	1.0
258.14481	3.0
261.45554	0.4
268.12872	1.1
278.11368	0.9
296.12430	1.7
309.19193	0.6
312.27139	0.4
314.13455	1.4
327.20227	4.1
330.16507	2.9
345.21280	42.1
346.21768	1.3
427.21808	0.7
442.23123	1.1
457.71219	0.5
460.24017	6.8
510.25781	0.5
528.26544	0.7
629.89465	0.4
630.34711	1.1
656.35950	1.8
674.37085	100.0
675.37335	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	674.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05025	0.8
57.21001	0.3
58.06604	0.5
60.08161	6.4
62.97083	0.2
64.91915	0.2
67.05499	1.4
68.15472	0.2
69.07076	0.3
69.08311	1.3
71.07371	3.1
73.02914	0.4
73.06538	0.3
79.05480	1.8
81.07031	0.6
85.78728	0.2
86.09700	30.3
87.04462	2.5
87.10026	0.3
89.06026	3.6
91.05474	1.0
93.07058	0.4
95.04944	0.6
95.08595	1.0
98.98450	3.4
103.05456	1.0
103.84672	0.2
104.10745	1.8
105.04549	0.4
105.07023	23.8
106.07355	1.8
107.08548	0.3
109.10162	0.3
110.02267	0.2
117.09078	0.4
121.06483	0.7
124.99994	20.3
127.01558	0.5
131.07039	0.3
131.08569	0.5
133.08580	2.2
147.08006	0.8
153.03098	0.7
159.83453	0.2
177.11250	0.6
184.07327	100.0
185.07623	0.8
215.12851	0.4
216.13072	0.4
225.12726	0.5
251.14178	0.7
269.15613	0.2
269.51166	0.3
310.73779	0.2
335.25433	0.2
336.25955	0.4
412.20483	0.3
674.33417	0.4
674.43878	3.2
675.43811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32838	0.4
67.05493	0.7
69.03402	0.8
69.07066	0.5
79.05493	0.7
81.03391	1.2
81.07043	0.7
83.04952	1.5
85.02891	0.5
88.32662	0.5
89.05989	0.9
91.05455	1.9
93.07065	0.9
95.08527	0.6
97.02887	4.2
105.03381	1.1
105.07027	2.6
117.23690	0.5
118.18639	0.5
119.01033	0.9
119.04945	1.0
119.08522	1.0
126.01030	0.6
126.36103	0.5
127.03878	0.8
129.07022	0.6
137.05849	0.5
143.08589	1.2
145.10156	0.8
147.04437	4.1
147.07777	0.6
151.03897	3.4
155.08521	1.1
163.03876	1.4
171.11700	1.5
173.02103	1.4
190.02425	0.8
197.13303	0.6
250.36295	0.6
287.05212	1.1
289.06906	1.0
305.06259	1.4
309.03058	0.5
313.17825	0.8
314.08435	0.5
314.18100	0.6
349.12506	2.1
360.70593	0.6
445.04797	0.5
467.11154	1.3
472.15125	0.6
481.16876	1.1
509.12823	3.1
553.11621	2.5
571.17224	1.2
589.18890	5.9
613.18829	0.7
631.19934	69.8
632.20099	5.2
650.09174	0.7
675.18903	100.0
676.19220	7.3
676.29510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.226
Annotation	Cryptophycin 326
Peak:m/z	Relative Intensity
69.07043	0.5
71.43306	0.6
73.02906	0.5
82.85166	0.5
83.05003	0.7
87.04436	2.3
109.02845	0.6
119.08643	0.7
124.03925	2.5
127.03905	0.8
133.10144	0.6
147.04427	0.9
147.11723	0.5
153.03189	1.0
167.07065	0.7
177.05452	0.8
181.05016	0.6
189.05162	0.5
194.12642	0.5
204.04005	2.5
213.08896	1.2
216.07649	0.8
229.08351	1.2
244.10750	1.4
245.11507	0.6
271.04364	0.7
273.11078	0.6
284.18018	0.6
405.05939	1.1
411.14252	1.9
425.15533	0.7
426.16473	4.4
427.17264	18.1
428.17755	1.1
455.17291	0.6
585.29016	0.9
589.22528	8.9
594.43591	0.6
631.23541	33.8
632.24237	3.0
675.22467	100.0
676.22784	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	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	0.3
59.67473	0.2
67.05502	0.5
67.78327	0.3
69.03436	0.4
69.18072	0.8
69.18474	0.7
72.11957	0.2
73.02899	0.9
78.03464	0.3
79.05487	0.5
81.03418	0.4
81.07080	0.3
85.02922	0.5
87.04446	1.0
89.06027	2.2
91.05488	0.5
98.22710	0.6
105.07018	2.0
106.02951	0.7
116.04967	0.6
121.02929	0.3
124.03994	0.7
126.11079	0.3
131.07217	0.5
132.08090	0.6
133.08591	1.1
134.06035	0.4
138.05492	2.2
142.44350	0.3
145.02632	0.3
145.45305	0.2
156.47046	0.3
164.43819	0.3
172.03683	2.0
173.04097	0.4
177.11195	0.6
178.08757	0.3
182.04820	0.2
194.56819	0.2
202.04779	0.6
206.08113	1.1
207.08502	0.8
248.16438	0.2
400.15350	0.4
413.16238	0.9
415.18002	0.4
416.14615	0.4
426.16959	0.5
427.17694	0.4
428.18848	0.3
429.15628	0.9
430.16333	1.4
432.18103	0.3
439.13651	0.4
440.13974	0.4
440.19049	0.4
441.20135	1.3
442.16379	0.8
443.17200	1.3
444.17966	1.5
445.18808	2.2
446.19080	0.5
452.14896	0.4
453.15717	0.6
454.16162	0.6
455.12692	0.5
455.17981	0.7
456.13354	0.4
456.18637	0.5
457.15082	1.6
457.19507	0.8
458.20001	0.5
466.12622	0.4
467.17255	1.3
468.14178	1.0
468.19025	0.5
469.14276	3.1
470.15393	2.2
471.16370	3.5
472.17435	1.5
475.19803	0.5
480.14032	1.8
481.14743	2.8
482.15762	3.4
483.16638	4.8
484.17261	1.2
485.18387	4.1
486.18881	0.6
493.15125	0.3
494.16064	0.5
495.16605	9.3
496.17316	6.2
497.18167	10.7
497.25510	0.6
498.19202	1.9
499.15988	0.8
499.20459	0.4
500.17267	0.5
503.19009	0.4
509.17801	0.5
510.18921	0.8
511.19861	1.1
513.17535	2.1
515.18884	0.9
523.16852	0.3
524.16736	0.3
527.19153	0.5
528.15826	0.5
529.20691	1.0
530.22357	0.4
531.18652	0.5
536.19122	0.4
541.17633	0.4
542.18268	0.6
545.22089	0.3
555.18573	10.7
556.18579	1.3
557.20361	1.1
568.93878	0.3
569.20624	0.5
573.23975	2.4
574.23969	0.7
583.21967	1.0
584.22369	0.3
585.22522	0.9
601.22607	0.6
617.22339	3.3
618.22339	0.6
627.21014	0.5
629.22388	0.5
643.23993	4.7
644.24487	1.6
645.21710	2.7
657.25397	0.5
660.24231	4.2
661.24316	0.3
675.26532	100.0
676.26794	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	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27289	0.4
56.96557	1.0
66.24554	0.3
70.03816	0.7
79.05488	0.4
89.06036	0.5
91.05476	0.6
93.07054	0.5
95.04951	0.3
98.97596	0.9
105.07019	0.6
121.02878	0.4
138.05548	1.3
198.00827	0.6
216.01805	0.5
221.02211	0.3
245.56372	0.4
261.18655	0.4
267.16031	0.4
285.01831	0.4
327.12756	1.0
345.13892	1.0
363.14899	0.6
439.14136	0.5
445.18637	0.6
450.16019	0.5
453.16052	0.9
454.16733	1.2
455.13132	0.9
467.12915	0.8
468.13559	2.5
469.14783	8.4
470.15332	2.5
471.16858	1.3
472.17813	0.8
479.17761	0.5
481.14563	2.6
482.15793	10.3
482.22137	0.7
483.16571	10.6
484.17178	2.6
485.18219	1.0
487.16034	0.4
495.16745	2.7
496.17441	5.2
497.18170	38.0
498.18759	5.1
499.19998	1.0
510.19217	2.3
511.19647	5.3
512.20526	1.7
515.19318	1.9
527.15112	0.4
528.16510	1.6
539.21429	0.4
541.17139	1.1
542.17700	2.2
555.18616	3.2
556.19470	3.3
557.20416	3.5
569.20966	0.8
571.21973	0.5
573.21930	0.6
591.20087	1.0
615.20142	0.5
616.21448	1.4
617.22839	1.0
629.22778	1.1
633.21130	2.0
643.23932	6.6
644.24524	6.7
644.34583	0.6
645.25073	1.8
657.25568	6.5
658.25397	0.5
660.24231	1.0
675.26569	100.0
676.26770	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	675.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75253	0.8
55.01839	1.1
55.05509	1.9
56.05025	2.2
60.04518	1.3
61.61590	0.9
65.03954	0.9
67.05500	2.5
68.05029	1.7
69.03424	4.2
69.07038	1.0
70.06580	6.8
72.08147	1.0
74.00659	1.5
76.68163	0.8
79.05496	4.3
80.05013	3.0
81.03435	2.2
81.07046	3.0
82.06568	3.9
83.04974	3.3
84.04502	17.7
84.08135	1.6
85.02895	1.2
86.06076	2.2
86.09715	2.4
86.99014	1.0
88.02204	7.4
88.03988	17.2
89.00603	2.1
91.05476	5.2
93.07040	2.3
94.06563	1.4
95.04965	3.6
95.08604	2.1
97.06518	1.3
98.06033	1.2
100.02176	1.4
100.53891	0.9
105.07030	4.5
105.13287	0.9
106.06533	0.9
107.04946	2.3
107.08588	2.5
108.04472	1.4
108.08128	1.2
109.06506	1.8
109.10101	1.5
110.06019	2.3
111.04424	0.9
112.02168	1.3
112.07584	6.2
114.03759	1.8
114.05505	1.6
115.02164	2.3
116.01678	4.2
117.07001	3.4
118.43921	0.8
119.04960	1.5
119.08569	5.3
120.08102	1.2
121.10116	1.5
122.02763	1.1
125.07122	3.6
126.05492	1.3
128.06267	1.3
129.07028	2.4
129.10184	1.4
130.03206	1.0
130.04994	13.2
131.08571	5.6
133.06493	1.9
133.10141	2.8
135.08089	1.5
137.06010	1.3
140.05339	1.1
141.06766	1.7
142.03210	1.3
142.07710	1.8
143.08545	5.2
145.06458	2.3
145.10098	5.1
147.04369	1.4
147.08026	2.1
148.07558	2.6
149.09628	1.0
150.09172	1.5
153.06924	1.3
154.04984	3.5
155.08514	4.2
156.06572	4.1
156.09348	1.6
157.10120	5.2
158.02718	1.2
159.07977	2.1
159.11710	5.0
160.04337	1.0
161.09599	1.9
161.13266	1.2
162.02165	2.2
163.11165	2.8
165.07022	1.4
167.08510	2.5
168.09337	3.2
169.10136	3.6
171.07661	13.4
171.11693	4.9
173.09616	2.9
173.13208	5.5
173.88544	1.0
179.08563	1.6
180.06439	1.3
180.09320	0.9
181.10130	3.2
182.10840	1.4
183.11674	7.6
185.09645	1.1
185.13266	1.4
186.02330	1.1
187.11165	3.8
188.03821	1.2
192.06503	2.0
193.10172	2.7
194.10909	1.5
195.11722	2.7
197.13171	1.2
199.11153	2.3
200.05551	1.2
201.12743	2.0
205.04753	1.4
206.08142	1.5
206.10852	1.4
207.11632	2.1
209.13306	1.7
211.11205	2.2
217.08188	13.5
217.10022	1.3
221.13171	2.1
225.12563	1.1
227.14226	1.1
233.09923	1.0
235.11035	1.6
237.12729	2.3
255.13727	2.2
273.14847	6.8
275.14560	1.1
311.16458	0.9
347.23819	1.0
386.17694	1.7
414.17334	1.8
427.14462	1.8
432.18375	11.8
450.19412	7.3
497.20581	1.0
515.21948	3.1
517.23547	3.0
525.20551	3.6
543.21661	18.6
544.21887	1.3
561.22614	100.0
562.22656	8.7
577.25439	2.1
579.23700	15.4
580.23743	1.5
603.23285	1.1
621.24548	9.2
631.20190	1.7
639.25500	2.0
657.27130	1.5
675.18481	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	675.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25300	0.6
67.05477	0.7
70.86800	1.1
71.54970	0.7
82.06511	0.7
87.04440	1.5
89.06028	1.7
91.05476	1.2
93.07024	1.4
94.06563	2.3
95.07343	2.2
96.08125	3.6
100.90123	0.7
108.08112	4.1
110.09666	6.6
120.04491	3.7
120.08078	4.6
122.06031	2.1
124.03947	2.1
136.07561	3.7
138.09134	9.2
146.05949	1.1
148.07593	1.2
152.07036	1.1
164.07176	0.7
166.08635	8.4
172.03961	1.6
180.10210	0.8
190.05075	1.4
194.08162	1.3
196.74063	0.7
197.00220	0.7
197.10779	1.3
204.06567	1.1
223.08736	1.1
223.12064	0.9
224.09477	1.1
225.10214	3.1
226.11031	1.3
227.11911	1.7
235.08810	1.2
236.09334	1.2
237.10199	5.8
238.10873	1.6
239.08125	1.1
239.11801	2.3
240.12558	0.8
248.09338	1.3
249.10182	4.4
250.10915	2.4
251.08224	2.3
251.11809	5.4
252.12538	1.0
253.09578	4.1
254.10281	1.0
255.11197	1.2
261.10257	2.7
262.11136	0.9
263.11777	2.8
264.09048	1.2
265.09653	8.9
266.10406	1.5
267.11301	6.7
269.09137	1.0
269.12842	1.4
271.10831	2.3
277.09827	1.5
278.10553	3.7
279.07755	2.1
279.11301	9.4
280.11951	2.6
281.09244	3.0
281.12817	1.3
282.10004	0.9
283.10727	6.6
285.12476	1.2
287.13989	1.9
289.09702	5.1
291.11392	2.9
293.09183	2.4
293.12799	5.1
294.10007	5.7
294.13351	1.3
295.07840	0.8
295.10706	4.1
295.13947	0.9
296.11545	2.5
297.08929	0.9
297.12408	2.0
299.10312	1.9
301.11783	0.9
306.09781	1.3
307.10867	2.2
309.12311	3.0
311.10257	5.8
311.13828	2.6
312.11029	3.1
313.11893	2.5
314.12665	1.7
315.13739	0.9
321.12384	1.0
323.10242	1.5
323.13907	1.4
324.11069	2.2
325.11871	3.1
326.12613	4.6
327.13312	9.0
335.10181	9.4
337.11880	1.6
339.09988	1.9
339.13358	55.0
340.10379	2.2
340.13937	2.0
352.10376	1.4
353.11377	1.5
354.12097	6.3
355.12878	15.1
367.12845	35.0
368.13086	1.4
398.14899	1.0
399.15692	1.3
404.15494	0.9
416.15741	1.0
421.05704	1.2
446.16678	0.9
458.17157	2.0
460.18909	1.3
479.20407	2.7
488.17987	7.8
492.21191	6.0
520.20728	100.0
521.21057	9.6
538.21393	1.6
546.45709	0.9
552.23358	39.9
553.23730	4.3
611.24878	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	676.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22051	0.6
73.68645	0.3
94.40671	0.2
131.04944	0.4
195.77087	0.2
244.02176	0.6
263.03201	0.5
268.82330	0.2
272.09283	0.3
291.02625	15.5
292.02911	0.4
301.77213	0.3
304.04358	0.4
315.82260	0.3
331.05780	0.4
348.08411	2.2
391.07828	1.8
408.10519	100.0
409.10876	4.6
601.67786	0.3
688.05334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03249	0.9
56.61715	1.1
67.62679	1.0
69.65594	2.6
69.65979	2.1
86.09723	1.2
91.05495	4.3
95.04968	1.5
103.05464	33.1
105.03391	2.1
105.04462	1.3
105.07052	3.1
115.05432	3.5
117.07021	9.2
121.06509	2.3
128.06238	1.3
129.06989	2.8
131.04921	100.0
132.05318	2.0
138.01854	7.5
140.03487	2.3
141.07065	1.6
142.06506	1.0
144.05711	1.9
145.06494	10.9
155.04939	4.8
155.06105	1.9
157.06516	4.5
166.01378	12.6
167.02196	1.9
168.02907	13.7
171.08064	2.4
172.05225	1.4
173.05969	9.8
178.01346	23.9
178.02782	1.8
183.04478	1.1
184.02441	1.6
184.07478	3.6
185.03177	1.3
187.07527	6.5
188.07033	2.4
189.09154	1.5
192.02939	2.4
194.00882	2.4
195.96269	1.1
196.02382	3.7
197.06035	4.8
201.05434	1.7
206.84241	1.0
213.05449	1.4
214.93524	1.0
215.07021	5.1
216.06549	11.4
225.05505	2.0
231.10239	1.3
238.04951	1.4
240.06544	5.6
241.04848	1.3
242.08078	2.2
252.06596	2.6
257.08179	4.2
259.06076	1.2
266.04489	4.8
269.06799	1.4
270.07605	11.9
271.08240	1.5
272.09201	14.3
280.06061	4.4
282.07611	16.0
284.05591	3.2
288.01495	2.8
296.09448	1.7
298.07089	2.7
308.05713	1.3
322.07147	2.0
373.13196	9.3
374.13773	20.5
384.12183	6.2
387.12308	8.9
396.04404	1.0
405.13373	3.5
410.08978	3.3
412.11771	8.6
444.14383	12.7
462.15430	9.9
470.12039	1.5
546.17560	21.6
554.14154	3.2
572.15509	15.9
640.19550	1.2
647.55377	1.2
676.21686	83.6
677.21893	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	676.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01862	1.6
55.05507	6.7
58.99586	4.4
61.01135	0.8
65.03936	1.4
67.05498	4.8
69.03422	21.1
69.07058	2.3
69.42194	3.1
70.02959	5.4
73.01154	1.2
74.02451	0.9
76.02222	4.1
76.03992	5.3
77.03948	1.1
78.03445	3.8
79.05482	5.7
80.05013	8.2
81.03410	6.7
81.07054	5.4
81.19707	0.7
83.04972	16.2
84.70287	0.8
85.02905	0.8
86.00633	9.6
86.99068	1.5
87.04482	1.1
88.02212	11.4
88.03994	1.1
88.85339	0.9
91.05470	10.3
93.07043	7.5
94.06564	0.9
95.04955	3.7
95.08607	6.3
96.04495	3.2
96.08109	0.9
97.01138	1.4
97.02888	1.2
99.05571	1.0
100.02198	0.9
103.05482	1.5
105.07020	9.5
106.02908	6.5
106.06580	1.4
106.07324	0.8
107.08589	6.8
108.08149	0.9
109.06522	1.4
109.10155	3.1
111.02684	0.9
111.04438	17.9
112.02213	0.9
112.03971	0.8
114.00163	1.1
115.05474	1.7
116.01655	10.1
117.07007	5.4
118.06503	1.0
119.04941	2.1
119.08552	9.5
120.08055	1.9
121.02860	2.2
121.06531	2.0
121.10120	7.3
124.03942	100.0
125.04225	1.6
126.03702	1.2
128.06197	1.1
129.07007	3.7
130.05022	1.1
130.07785	1.6
131.04843	0.9
131.08559	11.8
132.01160	1.1
132.08095	2.2
133.10106	7.1
134.09645	1.6
135.10416	2.6
135.11528	0.9
137.04230	1.4
137.06027	1.2
138.03717	1.8
140.05301	1.9
141.06996	2.2
142.07794	3.5
143.02733	13.3
143.08549	7.7
144.01115	1.3
145.06084	12.9
145.10112	22.8
146.09613	1.7
147.04422	1.8
147.08023	1.1
147.10431	12.6
147.11688	4.0
148.11180	1.2
149.04210	1.3
149.05977	2.8
149.09607	0.9
153.06985	1.2
155.08559	4.6
156.09329	1.9
157.10110	10.1
158.10910	1.0
159.08096	1.7
159.11682	16.1
161.06001	1.6
161.09576	1.1
161.13315	2.0
162.02243	3.1
163.05824	1.1
165.07005	1.4
167.07169	1.3
167.08569	4.1
168.09383	1.5
169.10107	6.6
170.10892	1.9
171.02219	2.3
171.11679	7.1
172.12454	1.7
173.11960	1.1
173.13219	4.2
174.02226	0.8
174.12788	2.4
175.03891	0.9
175.14828	1.7
177.03368	1.6
177.05487	1.9
179.04901	1.7
179.07086	0.8
179.08598	3.3
180.09306	0.8
181.08704	1.0
181.10075	4.1
182.10944	1.9
183.11655	6.0
185.09602	1.0
185.13228	8.4
186.12721	1.7
187.05667	0.8
187.07471	1.0
187.14806	57.2
188.15163	1.8
189.03276	41.7
189.16318	1.2
190.03444	0.8
191.04906	2.2
191.08633	1.0
193.10175	1.8
195.11665	4.4
196.12454	2.9
197.13274	6.6
198.12660	1.0
199.11150	1.3
199.14848	3.5
200.14391	2.7
201.12585	1.0
201.15109	1.1
202.15923	3.4
203.16542	1.0
205.08597	2.6
207.06476	1.5
207.11739	2.9
209.07980	4.2
209.13225	4.3
210.13960	0.9
211.14795	7.9
213.16420	1.4
214.15903	3.8
215.08968	0.9
215.14293	1.5
217.10280	1.5
219.11940	4.9
220.12509	1.2
221.13423	2.4
223.14746	1.8
226.15852	1.4
228.17480	3.1
229.15988	1.4
231.11943	2.0
233.13297	1.2
235.14780	3.8
237.16425	1.5
241.06502	2.3
243.08249	1.0
246.13997	0.9
251.17999	3.0
253.15819	1.5
255.08086	1.1
261.16373	1.2
262.16327	1.4
265.10141	0.9
269.19092	1.3
279.17307	5.9
297.18445	18.2
298.18665	0.9
311.14252	1.4
313.20319	9.1
329.15784	1.5
339.13202	1.6
348.16162	1.2
354.18723	1.2
363.17303	1.5
365.18900	8.7
372.19849	2.8
389.19025	1.5
439.20587	2.1
457.21524	16.0
458.20950	1.1
472.21521	5.8
475.22577	63.9
476.23016	4.0
495.22958	1.6
513.24622	1.1
521.21332	1.9
580.24786	6.7
581.22870	2.7
598.25745	28.2
599.24829	4.1
616.26813	5.1
658.27917	16.8
659.27094	1.2
676.28430	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01857	1.2
55.05502	5.6
55.15645	1.0
57.03430	3.8
61.02923	8.4
67.05494	6.1
69.03434	2.8
69.07069	2.6
70.06592	3.9
70.63004	1.1
72.08159	1.2
73.02917	2.5
79.05498	8.5
81.03413	93.1
81.07049	8.0
82.03776	1.1
83.04961	4.3
83.08618	21.2
85.02898	12.8
86.43083	1.2
91.03946	5.8
91.05470	11.1
93.06500	1.1
93.07009	5.3
93.99062	1.0
95.04964	28.0
95.08613	2.0
97.02873	7.8
99.04464	1.2
105.07024	9.2
107.04942	7.1
107.08575	4.8
109.02843	1.6
109.06509	2.6
109.10146	1.7
111.04478	1.3
111.08080	12.1
119.04939	1.2
119.08576	10.2
121.06480	1.4
121.10111	5.9
123.04419	3.4
123.08075	1.7
125.09641	1.4
127.03933	4.3
129.07013	8.1
131.08562	9.9
133.06491	3.5
133.10117	4.7
135.11679	2.1
137.09584	1.5
142.07744	2.1
145.04973	4.1
145.10147	2.0
147.04413	2.8
147.08032	3.8
147.11662	8.7
149.09546	6.0
157.10089	10.0
163.06015	4.7
163.11249	1.2
165.12688	1.7
168.02972	1.5
175.11201	13.1
189.05516	2.0
191.17973	2.3
193.12236	65.6
207.13742	1.4
211.13303	5.2
235.13313	3.4
259.13290	1.7
260.01425	1.1
267.15909	42.1
268.16171	2.2
285.16956	100.0
286.17270	4.0
301.14313	1.5
309.16949	19.5
317.21072	2.2
327.17871	2.2
350.82608	1.1
351.18466	2.0
363.18005	4.4
375.17819	2.8
393.19006	4.1
411.20081	3.0
429.21140	10.0
591.25934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
54.19780	1.9
55.05497	2.5
56.05006	1.9
57.03439	3.5
61.01123	2.5
61.02918	6.4
67.05491	6.8
69.03423	4.0
69.07066	2.3
69.14091	11.9
70.06577	4.8
73.02918	3.1
79.05489	7.2
81.03414	89.7
81.07059	4.1
83.04971	4.7
83.08628	21.8
84.04530	4.0
85.02899	9.6
86.09697	16.7
91.03932	7.6
91.05464	11.9
93.07028	8.7
95.04965	29.7
95.08586	2.7
97.02896	5.8
104.05337	4.5
105.07026	8.7
107.04928	7.4
107.08603	4.3
109.06474	2.0
111.04399	2.9
111.08076	10.1
119.08598	9.6
121.10156	6.3
123.04405	2.0
127.03970	3.4
129.06995	8.0
130.05009	2.5
131.08540	5.7
133.06485	3.2
133.10133	5.4
135.11653	2.1
142.07739	2.8
145.04916	4.4
147.08023	3.9
147.11713	5.0
149.09633	4.1
157.10133	9.4
163.05992	7.0
163.11185	2.7
165.12706	3.3
175.11179	13.7
190.48311	2.1
191.08539	2.4
191.17937	5.5
193.12221	70.3
193.13997	4.3
194.12592	3.9
211.13254	6.8
235.13293	5.7
267.15924	42.4
285.16959	100.0
286.17258	2.6
301.14236	2.9
309.16980	20.1
317.21155	5.5
327.18149	2.4
351.18018	4.3
363.17972	7.8
375.18192	2.9
393.18939	5.9
411.19867	4.4
429.21048	9.9
542.58679	2.1
623.39270	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	676.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	4.5
59.04975	0.5
61.04757	0.2
67.05506	0.2
69.07059	0.5
70.56792	0.3
71.08626	8.3
73.02907	1.1
73.06555	0.4
79.05470	0.5
85.10171	4.6
86.48003	0.3
87.04459	100.0
88.04808	0.5
89.06020	4.1
91.05463	2.7
93.07053	1.1
95.04955	0.8
103.05465	0.7
105.04506	0.4
105.07024	8.2
106.07356	1.0
107.04935	0.4
107.08569	0.5
117.01877	0.3
117.06990	0.6
119.04917	0.5
119.08569	1.1
119.09335	0.3
121.06500	3.8
121.10039	0.3
131.07030	2.7
131.08549	0.6
133.08609	1.5
135.08032	1.0
135.11752	0.3
145.10156	0.4
147.08018	2.5
149.09622	1.1
159.11688	0.3
165.09070	2.0
173.09563	0.3
175.09653	1.1
175.15088	0.2
177.11246	0.6
179.17589	0.2
191.10634	0.4
193.12335	0.3
209.11716	0.7
219.12247	3.1
235.13312	0.4
247.20564	3.3
255.15758	0.3
263.14975	0.5
273.22067	0.4
289.24893	0.3
291.23117	5.9
317.24725	0.4
335.25803	1.3
571.91943	0.3
597.84259	0.3
659.43408	0.4
676.46265	7.0
677.45398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.0
51.02375	2.2
55.05505	1.3
55.72057	0.4
55.82669	0.4
65.03926	0.6
67.05503	1.8
69.07073	0.6
70.63285	0.5
73.02903	0.6
78.03452	23.2
79.05482	1.5
80.05010	1.7
81.07043	1.8
83.04978	0.9
83.08671	0.4
84.03784	0.5
87.04475	0.8
89.06026	1.2
90.06371	0.4
91.05468	3.2
92.42035	0.4
93.07030	2.2
95.04971	0.9
95.08601	1.4
96.04488	5.3
97.06554	0.7
103.05466	0.5
105.07048	3.0
106.02915	100.0
107.03239	1.2
107.08608	1.6
109.06509	0.8
109.10132	0.8
111.04449	2.1
115.05512	0.5
117.07024	1.1
119.05986	0.7
119.08581	5.5
121.06516	0.8
121.10175	0.9
123.08057	0.6
124.03951	59.6
125.04257	0.8
127.01602	0.6
128.06219	1.2
129.06990	2.0
131.08589	3.1
133.06503	0.7
133.10123	2.9
133.63567	0.5
135.08047	0.7
141.06947	1.2
142.07756	1.8
143.08583	3.0
145.10136	2.2
147.11661	0.8
155.08565	2.5
156.09331	1.7
157.10146	3.2
158.10922	0.6
159.11693	1.8
161.09647	0.9
167.08580	1.7
168.09375	0.6
169.10146	3.4
170.10913	1.3
171.11732	2.0
173.13258	1.2
175.11232	0.6
176.98489	0.4
178.08635	10.3
179.08603	1.4
181.10168	1.4
182.10922	1.7
183.11636	3.5
185.09612	0.5
185.13271	1.8
187.14793	0.7
192.09377	0.7
193.10118	1.6
194.10945	0.6
195.11697	1.5
197.13263	5.9
198.14078	1.5
203.14421	0.6
206.08151	2.1
206.10924	0.5
207.11729	1.6
209.13220	1.2
211.11237	0.6
211.14828	0.7
219.11650	1.4
220.12503	1.1
221.13322	0.9
223.14789	0.9
224.09161	15.8
225.16386	1.0
233.13297	0.5
234.14098	1.4
235.14835	1.1
249.16467	1.1
262.13614	0.7
267.17606	0.5
271.16937	1.2
277.15747	0.6
295.16968	3.0
313.18021	1.3
418.20105	0.9
457.58670	0.5
484.16327	0.6
499.18198	1.7
518.25220	1.0
536.26471	3.9
537.26709	0.5
641.28339	3.3
646.24731	0.5
659.29620	54.6
660.30090	4.1
676.37262	0.6
677.27563	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	677.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	0.5
69.89169	0.7
69.89518	0.2
70.06589	0.5
88.07644	0.7
89.06012	0.5
98.23331	0.3
102.09210	0.5
105.07032	1.3
107.68501	0.3
112.08543	0.3
127.99802	0.2
133.08591	0.3
149.02376	0.8
164.33482	0.2
173.46161	0.2
184.04964	0.2
185.04243	0.7
193.04985	1.2
201.32738	0.3
203.05252	1.3
256.26343	2.8
256.54465	0.2
259.07913	1.3
347.09549	0.8
365.10590	3.0
415.01801	0.3
421.13086	1.1
468.49948	0.3
471.10312	0.3
515.31891	21.0
516.32239	1.1
646.38403	0.2
677.37109	100.0
677.55511	2.6
678.37408	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01133	0.4
69.92106	1.0
78.92477	0.4
96.58709	0.4
97.65766	0.4
98.23392	0.5
105.07032	1.9
131.04961	0.4
185.04236	0.5
187.75256	0.3
193.05017	0.6
256.03799	0.4
256.26346	1.4
259.07928	0.6
262.94101	0.4
301.97745	0.4
347.09677	1.1
409.11694	0.5
487.31848	0.5
515.31897	21.2
516.32501	0.9
677.37115	100.0
678.37354	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
54.58036	1.0
55.05507	16.7
57.03423	7.5
57.07063	3.8
59.32492	1.0
61.02918	19.5
65.03933	3.4
67.05497	83.4
67.77155	1.1
69.03428	3.6
69.07067	14.5
70.27283	1.2
70.27612	1.7
71.04980	4.5
71.08622	1.3
73.02913	8.0
79.05483	50.1
79.37787	1.1
81.03400	1.4
81.07047	92.2
83.04969	2.3
83.08601	8.0
85.02895	21.3
85.06543	1.8
89.05980	1.0
91.03946	16.9
91.05470	24.7
91.22846	1.0
93.07033	59.3
95.04964	6.3
95.08595	67.0
97.02887	8.2
97.06541	3.9
97.10144	3.6
99.04433	2.1
99.08066	3.3
102.73560	1.2
105.04488	2.1
105.07019	21.8
107.08576	40.2
109.06544	2.3
109.10142	33.8
111.08055	2.6
113.09663	1.7
115.03855	1.6
117.06971	9.2
117.10695	1.0
119.08562	14.8
121.10132	40.0
123.08069	1.4
123.11689	17.4
125.09624	2.5
127.03881	8.6
129.06967	1.6
131.08549	21.6
133.10110	14.8
135.08118	1.3
135.11676	32.5
137.09605	2.3
137.13219	6.6
138.67815	1.0
139.11168	1.8
145.04935	7.9
145.10109	15.8
147.11671	13.2
149.13245	23.4
151.11226	2.3
151.14793	3.5
153.12694	1.7
159.11671	13.3
161.13249	11.2
163.06012	12.3
163.14801	16.9
165.12842	2.6
165.16391	1.2
173.13249	16.9
175.14824	4.7
177.12866	1.4
177.16386	7.6
179.14302	2.7
181.04573	1.1
187.14795	9.2
191.14301	1.6
201.16383	3.9
205.15863	1.8
215.17935	3.1
219.17590	1.8
233.22711	4.2
239.09941	1.1
243.21065	33.6
243.23497	2.3
261.22110	100.0
262.22501	3.0
263.23740	1.5
279.23120	5.9
317.24829	1.8
330.28854	1.0
335.25775	34.7
336.26181	1.8
339.66647	1.1
353.22485	2.0
353.26831	30.1
354.27292	1.7
497.31366	5.0
588.43414	1.1
680.75073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47626	0.6
77.82859	0.6
86.91363	0.6
92.11221	0.5
96.04472	0.9
107.04977	0.7
111.62068	0.5
131.04929	2.2
147.04465	0.8
151.03979	0.7
168.02917	2.1
188.97977	1.2
239.47850	0.6
244.02124	0.6
256.33963	0.6
272.09192	2.2
273.09500	1.0
292.02921	0.8
293.04202	4.5
301.50601	0.5
304.04465	0.5
308.62494	0.6
334.99011	0.6
347.18851	0.6
348.08444	1.7
350.53290	0.5
391.08051	1.9
408.10522	100.0
409.10947	4.6
410.11197	2.2
446.20630	0.7
488.08389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
51.02390	0.9
53.03941	0.4
54.03090	0.2
54.34244	0.2
55.01861	0.5
57.03426	0.9
61.02927	1.0
68.99773	0.3
69.03062	0.3
69.03427	4.2
69.10231	1.0
71.01371	0.2
71.04996	0.5
73.02911	0.7
77.88622	0.2
78.03452	2.6
81.03416	1.7
85.02901	13.4
85.36722	0.2
87.04461	0.5
88.12840	0.2
91.03940	0.6
91.05500	0.3
92.36062	0.2
93.07040	0.3
95.04973	0.2
96.04490	100.0
97.02892	4.9
97.04832	0.8
99.04455	0.8
107.04949	0.6
109.02862	2.7
119.04935	0.5
121.06482	0.2
125.02351	0.8
127.03917	3.6
131.04904	0.5
134.56961	0.2
135.08092	0.3
135.60309	0.2
136.07571	1.1
145.04964	3.7
147.04382	1.1
149.05956	1.5
153.77454	0.2
157.28566	0.2
159.75859	0.2
163.06012	0.3
168.02835	0.4
189.05457	0.3
217.04933	1.0
259.09668	2.1
272.09055	0.4
273.09509	0.2
354.13348	12.3
355.13852	0.3
443.05170	0.2
516.18634	4.6
586.57050	0.2
678.24127	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	678.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02380	0.9
53.03950	0.3
55.01862	0.4
57.03437	1.0
61.02930	0.8
68.99773	0.6
69.03429	4.3
70.06615	0.1
70.35293	0.3
71.04993	0.3
73.02914	0.6
78.03453	2.4
81.03419	1.9
83.04955	0.2
85.02904	9.8
87.04462	0.6
91.03948	0.4
91.05487	0.4
93.07043	0.5
95.04966	0.2
96.04491	100.0
97.02886	3.5
97.04813	1.1
99.04450	0.8
103.05511	0.2
105.07030	0.2
107.04942	0.6
109.02869	2.3
112.03963	0.7
119.04950	0.5
121.06479	0.4
125.02354	1.2
127.03914	2.0
127.98280	0.1
131.04936	0.4
133.06512	0.2
133.71284	0.1
134.07249	0.2
135.08049	0.5
136.07579	1.1
139.40721	0.1
145.04973	1.5
147.04405	2.2
149.05984	1.7
161.06038	0.1
163.06082	0.2
173.06073	0.2
189.05447	0.4
201.05435	0.1
217.04945	1.5
218.05775	0.1
259.09647	2.7
354.13342	10.0
355.13806	0.4
397.59467	0.1
408.10345	0.2
440.77539	0.2
516.18646	18.7
517.18964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02361	0.3
53.03935	0.8
55.05496	0.1
57.07069	1.4
59.04950	0.1
67.05482	0.3
68.05016	0.2
69.03393	0.2
69.07054	0.2
71.04971	0.2
71.08622	2.9
73.02892	0.3
73.06528	0.2
77.03920	0.5
78.03439	1.2
79.05479	0.6
80.05006	6.1
81.03403	0.3
81.07038	0.3
83.05007	0.1
85.10168	0.3
86.06072	0.2
86.09680	0.2
86.43105	0.1
87.04462	2.0
89.06019	7.0
91.05457	1.5
93.07038	0.5
95.04954	6.4
95.08608	0.2
95.77499	0.1
96.03857	0.3
96.04478	5.5
98.22614	0.2
98.98473	0.1
103.05454	0.3
104.07097	0.6
105.03378	19.1
105.04395	1.2
105.07011	4.2
106.02905	1.9
106.03613	0.2
106.07353	0.5
107.04987	0.1
107.07095	0.2
107.08575	0.2
109.06514	0.3
115.05372	0.1
116.26469	0.1
117.07011	0.5
117.09125	0.1
118.07878	0.2
119.04943	0.3
119.05988	0.1
119.08566	2.3
121.06485	1.1
121.10110	0.2
124.03933	100.0
125.04276	1.3
125.05969	0.2
127.01547	0.2
128.06206	0.2
129.07007	0.4
131.07039	0.6
131.08572	1.0
133.08580	4.7
133.10109	0.2
134.08838	0.1
135.08061	0.7
135.11703	0.2
139.01505	0.3
140.03394	0.3
141.06972	0.2
142.07790	0.5
142.47180	0.1
143.08549	0.5
145.10101	1.5
147.08046	0.8
149.02367	0.2
149.09615	0.5
150.06682	0.2
153.05452	1.4
155.08560	0.6
156.09343	0.3
157.10112	1.8
159.08034	0.9
159.11650	1.2
163.07535	0.2
163.11142	0.5
165.05566	0.2
165.06979	0.4
165.09096	0.4
166.07767	0.1
167.08504	0.8
169.10100	0.8
170.10959	0.1
171.11681	0.6
173.09576	0.8
173.13235	0.3
175.09642	0.4
177.11203	1.6
179.08511	1.0
180.09328	0.3
181.10120	1.1
182.10889	0.3
183.11749	0.4
184.07484	0.7
185.09595	0.3
185.13301	0.3
187.11172	0.5
191.10561	0.1
192.09282	0.4
193.10170	1.4
193.12022	0.2
194.10878	1.1
195.11639	1.0
197.13239	1.2
200.12022	0.1
201.12698	0.2
205.10123	0.1
206.10922	0.2
207.11705	1.3
208.12476	1.1
209.09926	0.2
209.13283	3.0
210.13673	0.3
211.11252	0.3
211.13092	0.2
211.14914	0.2
213.12759	0.2
215.10663	0.3
215.14290	0.2
217.10080	0.2
218.11008	0.2
220.12488	0.4
221.13458	0.6
222.10262	0.2
223.14767	2.6
225.12761	0.3
227.10565	0.1
228.06532	0.7
232.12288	0.2
233.13269	0.5
234.14035	0.3
235.14865	0.5
236.11972	0.3
237.16458	0.2
239.14569	0.2
243.10132	0.2
247.14987	0.7
247.20511	0.8
249.16553	0.2
251.14281	2.0
252.14931	0.2
253.12256	0.3
256.26349	0.3
265.15918	0.7
267.13724	0.2
269.15347	1.2
275.14304	0.3
278.13062	0.1
283.17078	0.3
291.23126	1.6
293.15338	0.7
299.18579	0.1
311.16351	3.7
312.16730	0.1
317.24799	0.2
317.43069	0.1
335.25888	0.5
383.73627	0.1
433.20142	0.2
555.24121	0.2
556.23352	0.5
626.71570	0.2
661.45038	0.7
677.55402	0.2
678.26849	20.0
678.46814	0.5
679.27203	2.0
679.39746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.05496	0.3
62.49900	0.2
67.05496	0.7
69.07061	0.3
69.34134	0.3
69.34500	0.8
70.06581	0.9
71.77105	0.2
72.08173	0.2
79.05511	0.2
81.03389	0.3
81.07056	0.3
84.04495	0.5
84.08137	0.4
85.02901	0.4
86.09698	7.5
91.05458	0.8
93.07040	1.2
95.04958	0.7
103.05463	4.2
105.07045	0.3
107.04963	0.2
109.10168	0.4
115.08679	0.2
119.08571	0.2
120.08094	100.0
121.02885	0.2
121.07749	0.2
121.08444	1.6
125.05982	0.2
129.10194	0.2
130.05052	0.4
130.08626	0.2
131.04883	0.3
132.10185	2.2
135.08000	0.3
139.00262	0.2
149.00545	0.3
158.09756	0.2
163.07520	0.7
166.08621	0.2
173.11728	0.3
182.95703	0.2
194.02711	0.6
220.09601	0.3
229.14345	0.5
233.16470	1.2
251.18506	0.2
254.25893	0.2
261.16107	0.3
279.17010	34.8
280.17310	1.1
283.15256	0.2
297.05307	0.9
549.15253	0.2
603.16266	0.4
677.90826	0.3
678.42822	0.3
679.20337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.05521	7.1
57.03432	2.0
57.07079	2.8
61.02936	3.5
67.05511	6.0
69.03432	7.8
69.07063	7.7
69.16868	10.2
71.05003	1.7
79.05495	6.2
81.03416	4.9
81.07053	13.3
83.04978	3.2
83.08620	6.0
85.02905	24.4
86.86285	1.6
87.04449	1.9
91.05472	7.9
93.07043	15.3
95.04950	2.0
95.08600	26.2
97.02906	10.0
97.10176	4.8
99.04457	3.6
105.07016	16.5
107.08589	24.0
109.02883	3.1
109.06512	2.6
109.10168	13.6
111.04439	3.3
111.08050	2.3
111.11717	3.4
117.07012	2.1
119.08568	19.0
121.06499	3.1
121.10130	19.6
123.11694	6.8
127.03922	7.3
129.07025	1.5
131.08601	5.2
133.10124	13.9
135.11702	14.8
137.06013	1.8
137.13217	2.2
143.08554	5.2
145.04971	4.3
145.10144	8.5
147.11656	7.8
149.13235	8.1
151.07593	2.0
152.44211	1.5
157.10077	8.9
159.11659	14.9
161.13255	6.0
163.14821	6.0
171.11703	5.8
173.13264	4.0
175.11235	2.5
175.14796	4.4
177.12723	2.1
185.13248	6.3
187.11162	2.4
187.14867	2.8
189.16350	4.5
191.17976	2.8
199.14792	4.3
201.12782	2.9
201.16360	3.3
203.17932	11.1
205.12262	5.7
205.15782	1.7
213.12727	2.6
213.16451	2.3
217.12198	2.7
219.13826	3.1
223.13295	4.9
231.13829	4.4
237.14740	2.8
245.15358	3.3
249.14896	3.4
255.21028	8.3
257.22699	2.2
259.16852	1.6
273.21970	7.6
279.52576	1.7
283.20483	9.0
299.51401	1.7
301.21573	42.0
302.21823	1.8
319.22653	100.0
320.23062	4.1
337.23859	4.0
463.26556	2.7
475.12549	4.3
481.27975	19.7
497.20831	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	678.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.0
57.07074	21.9
69.07056	3.1
71.04980	0.8
71.08629	42.5
72.08968	1.0
73.02917	1.1
73.06549	3.1
79.05473	1.1
81.07086	1.4
83.08638	0.8
85.10178	22.2
87.04462	23.5
89.06026	100.0
91.05470	9.5
93.07055	7.3
95.04965	2.6
95.08612	1.6
103.05431	1.8
104.06227	1.2
105.07018	6.4
107.04943	1.9
107.07082	1.5
107.08583	2.1
109.06577	0.9
109.10143	0.8
111.90779	0.7
117.07027	1.7
117.09136	1.6
118.07835	0.6
119.04947	2.9
119.08571	4.4
121.05621	1.2
121.06496	21.3
121.10136	1.5
123.07992	0.8
127.01472	0.9
127.14834	1.6
131.07036	8.7
132.09344	1.5
133.08598	67.4
134.08965	1.0
135.08051	2.3
135.11723	1.4
137.58345	0.7
145.10126	2.4
147.08052	10.1
149.09622	3.9
149.13335	1.6
159.11627	0.8
163.07573	1.0
163.11208	1.9
165.09122	9.1
167.10680	1.3
175.09702	4.6
175.11090	1.4
177.11227	23.6
177.12660	1.1
184.07349	1.6
191.10710	2.8
193.12251	1.9
199.55243	0.8
209.11769	4.3
211.13315	2.6
219.12230	1.2
221.13834	4.9
223.15282	0.8
235.13254	2.5
239.14929	0.8
247.20557	17.8
247.22969	1.4
248.21024	0.7
255.16006	2.5
273.22095	4.1
279.16016	1.5
283.17529	1.8
289.25259	1.1
291.23157	30.4
292.23315	1.3
298.72827	0.8
309.19064	0.9
317.24792	3.0
335.25760	7.4
379.28665	0.8
535.30975	2.5
661.45203	7.6
666.67804	1.0
678.47772	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	679.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55819	1.4
52.80610	1.2
53.03959	1.4
67.01882	1.5
68.99786	7.8
70.02979	2.5
71.43450	1.4
73.88288	1.5
76.33759	1.7
91.05517	2.5
94.02931	2.3
95.04984	2.2
100.11314	1.5
103.05475	39.8
103.06091	2.5
105.03355	1.6
105.04520	1.6
107.85892	1.5
110.02464	4.8
111.03224	3.6
122.02458	2.0
131.04929	100.0
132.05269	1.9
134.02435	3.2
138.01857	23.8
138.02730	2.1
140.03418	10.6
146.02437	1.9
150.01920	2.2
156.02971	2.8
161.03516	2.1
162.01944	3.3
164.03537	6.2
166.01375	35.6
166.03709	3.0
167.02148	20.6
168.02914	26.4
174.01959	3.1
176.03493	2.1
178.01357	15.2
180.02989	3.6
184.02441	10.1
185.03194	15.4
188.03534	2.1
190.01346	13.2
191.02174	2.0
192.02904	20.7
199.04021	4.3
202.01494	5.5
204.02951	9.2
206.00848	2.0
208.02422	10.5
210.04077	1.8
215.58748	1.4
218.00839	16.7
219.04137	2.7
220.02480	4.0
222.04126	5.7
225.05475	16.2
229.02582	4.4
230.01018	5.7
231.04083	4.5
232.02405	11.1
232.32886	1.5
236.02031	2.4
236.05444	3.0
241.02768	1.9
241.05113	3.0
242.00999	1.8
242.08069	6.9
243.04118	7.0
244.02563	5.1
245.02049	4.2
247.03717	4.6
248.01865	7.9
257.01895	6.9
257.08209	1.9
258.00299	1.9
259.03613	4.1
260.01956	13.6
264.01492	2.1
269.01871	8.9
270.07611	35.4
271.03662	5.8
271.08389	19.5
272.09158	32.6
273.01584	4.3
275.00546	1.6
275.03268	2.5
276.01563	6.8
278.03241	2.0
282.07770	5.4
283.03586	1.9
284.41940	1.9
285.99838	2.0
287.03134	6.2
288.01355	28.0
288.04239	1.6
291.02527	4.3
294.07639	3.7
296.09174	14.5
297.01611	3.6
299.03207	4.2
304.00980	3.8
306.02377	12.4
306.07733	2.4
308.09283	3.0
315.02658	5.4
317.04105	3.0
322.07043	18.8
325.01157	3.6
334.07175	4.3
336.08841	3.6
336.12598	2.9
339.02512	3.6
343.01889	24.5
351.02472	2.4
361.03201	5.4
361.08072	2.3
362.06830	6.7
364.08011	12.7
365.11295	1.7
366.09741	2.9
367.02206	4.8
373.08334	1.9
375.10095	1.8
379.02274	4.5
379.09387	1.8
380.08060	2.0
390.06412	4.8
391.09341	5.6
392.07639	41.1
403.09412	2.0
407.01624	5.8
408.06958	8.5
409.10477	10.8
410.09152	5.5
421.10703	4.1
433.10254	2.0
447.08185	31.2
471.08383	6.4
483.07916	7.4
489.09662	4.0
511.07779	7.3
513.09375	3.6
515.07562	2.7
529.08685	1.8
533.08063	1.9
557.09180	2.7
575.12891	16.3
587.14941	4.3
605.15662	8.6
607.17053	13.7
615.14130	20.7
617.15552	44.1
618.15991	4.2
619.13293	1.9
633.04584	1.3
633.14978	41.9
635.17059	3.0
643.13849	5.3
661.14502	71.2
662.15619	4.9
679.18561	83.2
679.51233	2.7
680.18646	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	679.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48032	0.5
70.81796	0.7
74.30219	0.4
89.06033	0.6
109.91409	0.4
131.04889	0.7
189.00269	1.3
207.01320	1.9
264.06583	0.6
272.99609	0.5
277.80157	0.5
292.05777	3.8
293.06549	50.0
294.07059	1.3
300.05011	1.4
304.02148	8.7
305.02881	0.9
322.03183	1.1
345.54617	0.6
392.08942	0.8
408.08392	100.0
409.09045	21.2
410.09274	1.5
426.09515	0.6
449.11191	1.1
653.16754	0.5
679.16138	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15322	0.4
53.73515	0.5
99.86798	0.5
103.05460	1.0
106.02656	0.6
121.74171	0.6
125.30199	0.5
131.04924	1.6
137.35689	0.6
180.94977	0.5
189.00131	0.6
196.87741	0.6
205.01265	0.6
216.06361	0.9
236.05254	4.1
278.06122	0.8
293.06546	5.8
294.07486	1.4
302.06418	0.9
303.06247	0.6
304.04132	3.9
322.05310	0.7
358.06708	0.8
377.11166	1.0
384.08322	1.3
390.09500	5.0
399.07101	0.5
408.10565	8.2
409.11636	0.5
434.05365	0.5
448.11884	0.6
452.06717	0.9
471.06375	1.1
513.12604	0.9
531.13745	0.8
540.09149	1.7
556.12628	2.1
557.11847	2.2
558.09998	2.6
575.12646	11.0
619.16229	0.9
625.15649	1.5
629.15674	0.6
644.14783	1.2
661.17834	24.0
662.16449	15.6
663.16626	1.2
679.18921	100.0
680.19122	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92223	0.2
69.46389	1.3
103.05477	0.4
106.02699	0.4
131.04942	0.6
148.03719	0.3
163.67332	0.2
184.07397	0.4
190.01256	0.4
209.02962	0.2
214.99785	0.3
236.05287	2.0
262.03302	0.7
278.06073	0.5
293.06677	1.1
294.07318	0.5
304.04117	1.5
308.03210	1.3
322.05515	0.7
343.26654	0.3
348.08417	0.7
354.66226	0.3
361.06406	0.6
377.11285	0.4
378.07516	0.3
384.08591	0.6
390.09644	0.5
391.07022	1.3
392.07773	0.3
408.10574	1.5
427.07239	0.4
429.05344	0.4
443.12732	0.4
448.17963	0.3
453.05652	0.8
454.03922	0.5
471.06516	1.7
490.50235	0.3
507.13721	0.6
515.10962	0.3
518.11597	0.4
531.13568	0.5
539.10095	0.3
540.09387	0.7
549.14929	0.5
557.11511	1.4
558.10193	1.1
575.12677	11.3
576.12799	1.0
619.16901	0.3
647.14111	3.9
648.14722	0.3
661.17743	2.7
662.16956	1.2
679.18933	100.0
680.19220	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	679.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60041	1.5
53.03952	1.6
55.05508	24.0
57.03440	9.5
57.07070	13.6
59.04993	2.0
61.02917	15.2
65.03922	3.5
67.05497	79.3
69.03422	3.3
69.06711	2.0
69.07062	30.8
69.31694	8.0
70.06622	1.5
71.04967	4.2
71.08611	6.2
73.02892	8.5
75.23885	1.3
76.47827	1.6
79.05487	25.8
81.03393	2.5
81.07047	100.0
83.04939	1.7
83.08609	22.0
85.02898	21.1
85.06550	4.1
85.10167	4.5
87.04448	2.3
89.06019	1.8
91.03943	19.8
91.05473	19.0
93.07039	25.1
95.04950	3.8
95.08597	75.0
97.02876	11.0
97.06511	9.0
97.10159	15.4
98.22703	3.3
99.08094	2.5
105.07017	19.7
107.08579	19.5
109.06506	2.4
109.10149	39.3
111.08059	6.3
111.11682	3.4
113.09589	2.9
115.03881	2.3
117.07007	1.6
119.08574	16.8
121.10126	24.1
123.08079	3.6
123.11697	22.7
124.03945	2.4
125.09637	2.5
127.01541	2.2
127.03914	5.8
131.08591	1.9
131.29395	1.6
133.10114	19.9
135.11659	11.3
137.09619	2.8
137.13261	9.2
139.11208	2.1
141.12747	3.0
145.04947	8.4
147.11658	13.8
149.13231	13.1
151.14769	8.3
155.14299	3.4
161.13245	16.4
163.06010	11.8
163.14778	12.7
165.12718	3.0
165.16368	8.0
175.14818	10.0
177.16379	2.1
179.14314	2.8
179.17883	6.9
181.15852	1.6
181.47118	1.4
189.16325	3.9
193.05013	2.8
194.05226	1.3
217.19482	2.6
231.92882	1.5
245.22624	72.7
246.23074	2.8
256.26328	4.2
257.26501	1.6
263.23669	97.8
264.24051	4.4
281.24661	1.8
337.27319	68.0
338.27789	4.4
355.28317	7.9
386.39450	1.6
438.67953	1.5
481.31192	1.6
499.32593	5.1
679.54010	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	679.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99865	2.1
63.78885	1.4
67.05489	1.6
77.00912	7.5
78.45523	1.3
79.05443	1.6
81.07061	3.6
83.08624	1.8
95.01967	3.2
95.04997	1.6
100.11260	3.7
168.35249	1.6
174.22227	1.4
182.15457	2.8
185.06586	4.7
187.08133	1.9
197.10263	5.5
201.09663	3.7
207.05156	1.9
209.10156	3.1
209.16530	2.0
210.15034	2.0
213.09740	3.0
215.09344	2.4
215.11279	19.4
219.10789	1.7
219.81461	1.7
221.06673	1.6
221.97215	1.8
223.11794	4.1
225.13330	2.9
227.11275	2.6
231.10823	2.0
233.10245	1.6
233.12399	3.6
235.11737	3.2
239.11317	4.4
241.12872	3.0
243.14362	10.9
244.12021	1.4
253.12840	26.7
257.12344	4.1
261.15451	2.5
263.11374	1.7
264.11920	1.9
271.13852	20.9
281.12366	5.7
315.17905	7.1
333.19064	23.5
334.19214	1.9
348.06744	1.6
351.20169	100.0
352.20447	5.1
369.21213	23.9
392.22858	4.2
448.55658	1.6
679.23450	3.3
679.34314	2.8
679.42712	2.7
679.51563	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	680.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72835	1.7
89.06007	0.4
91.05453	0.7
97.47729	0.4
99.59624	0.5
103.05455	3.6
107.01310	0.5
109.58949	0.4
117.05729	1.6
118.06501	0.6
128.93825	0.4
130.06453	1.8
131.04141	0.4
131.04929	5.6
138.01840	0.8
140.04950	0.7
141.05701	1.5
143.06068	0.4
144.04456	3.2
151.68108	0.4
154.06497	1.6
155.06010	1.5
157.05148	0.9
166.01405	1.2
166.06523	0.7
168.04387	1.8
178.01358	14.2
179.06046	3.0
180.62813	0.4
181.07614	4.1
182.11552	0.4
183.05511	0.7
185.07016	0.5
192.06752	0.6
193.05939	0.6
193.07608	7.9
194.06013	0.6
194.08287	1.8
195.05467	0.9
196.02455	0.8
203.05942	0.7
205.07663	2.0
207.05499	4.0
208.06250	1.0
209.07082	6.2
221.07108	13.6
222.05489	1.1
222.07742	1.8
226.07339	0.9
231.05479	0.6
233.07143	2.2
235.05016	2.6
237.06625	1.7
239.04514	1.3
240.06343	0.5
249.06572	10.5
250.07358	5.2
253.06142	1.2
257.05515	2.4
261.06540	1.0
264.06543	0.8
265.05997	0.7
277.06082	9.8
278.06860	9.6
282.07605	6.7
283.07861	0.6
287.04517	1.2
291.07639	0.7
293.05579	4.0
305.05545	49.2
306.06265	10.3
319.07065	1.0
323.06610	55.2
324.07214	2.7
334.87762	0.4
367.10748	1.3
381.12497	1.6
382.12839	0.6
409.11819	100.0
410.12427	20.8
411.13010	0.9
475.30780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.2
51.02370	0.3
52.01903	0.2
53.03951	0.7
55.05499	0.2
57.07071	0.4
60.38250	0.1
67.05182	0.2
67.05497	1.2
69.03439	0.3
69.07066	0.2
71.04994	0.4
71.08624	0.4
77.03934	0.6
78.03446	0.7
79.05475	0.4
80.05010	4.6
80.65021	0.1
81.07049	1.0
83.04963	0.2
83.08597	0.2
87.04451	0.3
87.98624	0.1
89.06023	0.8
90.06354	0.2
91.05447	0.6
93.07056	0.5
95.04968	3.3
95.08604	0.3
96.00001	0.1
96.04491	3.6
97.02892	0.9
105.03386	17.9
105.04411	1.2
105.07015	1.2
106.02891	0.4
106.03652	0.3
107.08549	0.3
109.06471	0.2
111.04503	0.3
111.08111	0.2
113.06030	0.2
117.07053	0.3
119.08582	2.9
121.06542	0.3
121.10129	0.2
124.03944	100.0
125.04271	1.4
128.06102	0.1
131.08571	0.5
133.08591	0.4
133.10153	0.3
141.05525	0.8
142.07774	0.2
143.08595	0.3
145.10089	0.6
147.08003	0.2
147.11655	0.2
155.07062	1.3
155.08395	0.2
156.09286	0.4
157.10095	0.7
159.11691	0.6
161.09651	0.2
167.08589	0.3
169.10161	0.6
170.10855	0.3
171.11691	0.9
173.13271	0.7
177.11227	0.2
182.10902	0.1
183.11682	0.6
184.07301	0.2
184.12483	0.4
185.09639	0.2
185.13280	0.5
193.10150	0.4
195.11659	0.5
196.12474	0.1
197.13249	1.5
201.12726	0.2
205.10193	0.3
206.10912	0.2
207.11682	0.4
209.13264	0.4
211.14813	0.5
219.11664	0.2
220.12491	1.3
221.13223	0.4
222.13951	0.2
223.14752	0.1
225.12735	0.2
225.16377	0.3
234.14102	0.2
235.14781	1.8
249.16388	0.4
253.15796	0.5
255.13852	0.2
267.17322	0.2
271.16644	0.3
277.15643	0.2
280.14606	0.3
283.83481	0.2
295.16879	0.7
313.17978	3.4
314.18494	0.2
370.02933	0.1
451.81067	0.1
455.16885	0.2
459.88321	0.1
679.39917	0.5
679.50867	0.2
680.27936	0.6
680.40271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	2.2
51.02375	5.6
53.03940	3.3
53.42891	0.8
55.05508	1.7
57.07077	2.0
57.18874	0.7
57.79282	0.7
65.03928	0.9
67.05495	10.2
69.03427	1.9
69.07063	1.0
71.04982	2.2
71.08625	3.7
72.08971	1.1
77.03906	4.0
78.03446	32.5
78.03891	1.8
79.05479	4.7
80.04996	2.1
81.07060	7.9
83.04984	2.7
85.10203	2.0
87.04482	2.7
89.06020	11.9
90.06364	1.3
91.05474	9.2
92.05809	1.2
93.07056	5.9
95.04965	17.8
95.08609	2.3
96.04491	5.2
97.02882	5.4
97.06551	1.3
104.70378	0.9
105.03385	87.6
105.04531	6.0
105.07014	9.1
106.02907	57.7
107.04967	1.3
107.08578	2.1
109.06484	1.9
109.10192	0.9
111.04441	2.5
111.08046	1.5
113.06070	0.9
115.05492	1.1
117.07002	3.8
119.06168	1.3
119.08571	20.5
121.06522	2.9
121.10194	1.4
123.04465	2.4
124.03942	43.7
128.06264	1.8
129.06990	2.4
131.07016	1.2
131.08559	6.1
132.48016	0.8
133.08597	8.1
133.10072	4.5
134.08948	1.8
135.08061	1.5
137.05920	0.9
139.07553	1.2
141.05421	4.9
141.07011	1.5
142.07785	3.3
143.08553	5.9
144.09282	1.3
145.10103	5.0
147.08075	2.2
147.11650	1.0
149.09586	1.9
153.06996	1.0
154.07771	0.8
155.07065	6.5
155.08574	3.8
156.09314	4.1
157.10115	9.0
158.10956	2.3
159.08046	2.1
159.11684	7.9
163.11194	1.3
165.06984	1.6
166.07779	1.1
167.08612	2.2
168.09370	0.8
169.10136	6.9
171.11682	7.3
173.09637	1.7
173.13249	7.1
177.11267	2.9
178.11604	0.8
179.08600	2.8
180.09413	1.1
181.10188	2.5
182.10974	1.9
183.11635	4.6
184.12479	4.0
185.13229	4.8
186.13817	0.8
187.11198	1.9
192.09358	1.1
193.10173	2.4
194.10944	1.5
195.11679	4.7
196.12492	1.3
197.13246	14.3
201.12804	2.6
203.14267	1.1
205.10136	2.7
206.10898	1.5
207.11665	3.8
208.12601	1.2
209.13206	4.2
211.11171	0.9
211.14828	4.2
215.14301	1.5
219.11743	2.8
220.12439	10.7
221.13301	3.0
223.11218	0.8
223.14911	2.3
225.16391	3.3
228.06581	1.1
234.14082	1.7
235.14796	11.1
247.20712	0.9
249.16400	2.9
250.41335	0.8
253.15929	3.0
255.13899	2.3
267.17422	1.8
271.16968	1.7
275.99792	0.7
277.15756	0.8
280.14676	1.0
283.19244	0.7
285.18307	0.9
291.23303	2.2
292.23474	1.8
295.16772	4.1
313.17899	18.5
318.13339	2.4
436.21198	2.5
558.24890	7.9
559.24945	1.2
680.28455	100.0
681.28583	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	680.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02379	0.3
52.01901	0.2
52.83595	0.1
53.03937	0.7
55.05494	0.3
55.53805	0.1
67.05502	1.1
69.03432	0.1
69.07059	0.1
69.55982	0.3
71.04970	0.2
75.25150	0.1
77.03906	0.6
78.03449	1.8
79.04211	0.3
79.05474	0.5
80.05010	5.7
81.06608	0.1
81.07038	0.7
83.04956	0.2
91.05466	0.9
93.07037	0.6
95.04958	3.0
95.08571	0.2
96.04485	4.6
97.02857	0.6
97.06506	0.1
98.23354	0.2
99.20663	0.1
102.51185	0.1
104.09484	0.1
105.03383	17.7
105.04401	1.0
105.06998	0.8
106.02911	1.7
106.03672	0.3
107.08559	0.3
109.06484	0.3
111.04437	0.4
111.08053	0.2
117.07008	0.5
119.04919	0.2
119.08572	4.5
121.10142	0.1
123.04393	0.3
123.08031	0.1
124.03940	100.0
125.04281	1.1
128.06227	0.2
129.06963	0.3
131.08562	0.6
133.10146	0.4
135.08073	0.2
137.05994	0.2
139.07504	0.1
140.03407	0.2
141.05453	0.5
141.06975	0.3
142.07799	0.3
143.08543	0.6
145.10083	0.6
147.11713	0.2
149.09520	0.1
153.07079	0.1
155.07031	1.5
155.08543	0.5
156.08180	0.1
156.09367	0.4
157.10136	1.3
159.08115	0.3
159.11671	1.3
167.07243	0.1
167.08536	0.3
169.10100	1.0
170.10904	0.9
171.11670	1.0
173.13264	0.5
179.08568	0.2
181.10165	0.3
182.10840	0.2
183.11670	0.8
184.07567	0.4
184.12439	0.8
185.09560	0.2
185.13231	0.8
192.09276	0.2
193.10112	0.4
194.10915	0.2
195.10126	0.2
195.11617	0.7
196.12415	0.2
197.09619	0.1
197.13248	1.9
199.15173	0.1
201.12790	0.6
205.10037	0.1
206.10757	0.1
207.11716	0.5
209.13240	0.9
211.11253	0.2
211.14781	0.9
215.14304	0.2
220.12424	1.2
221.13196	0.5
223.11148	0.1
223.14793	0.3
225.16388	0.7
228.06546	1.8
228.11620	0.1
234.13931	0.2
235.14781	2.0
239.17854	0.1
249.16322	0.8
251.14403	0.2
253.12155	0.1
253.15825	1.0
255.13719	0.1
259.14868	0.1
267.17474	0.3
271.16968	0.5
277.15884	0.4
280.14670	0.2
295.16916	1.3
313.17966	3.2
313.21411	0.2
436.21442	0.3
558.25012	0.8
680.28442	18.6
681.28741	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99997	0.4
53.03930	1.0
55.01834	0.5
55.05509	3.8
56.19490	0.4
57.03415	0.7
57.07061	1.0
60.71795	0.5
61.02921	1.1
65.03925	0.8
67.05508	4.4
69.03425	37.8
69.07057	1.7
72.09232	0.5
75.28820	0.5
78.03435	1.7
79.05483	2.1
80.05018	1.9
81.03409	1.8
81.07053	3.3
83.04980	3.4
83.08607	1.7
85.02899	7.9
85.06542	0.9
86.09723	0.7
87.04455	1.0
89.03967	0.6
91.05463	2.2
93.07019	2.4
95.04961	1.6
95.08602	3.8
96.04493	2.5
97.02892	3.1
97.06519	1.4
99.04476	0.8
100.11250	8.3
103.05442	0.5
105.07030	3.5
105.38475	0.5
106.02924	2.3
106.06559	3.4
106.07178	0.6
107.08573	2.5
109.02850	1.5
109.10149	0.9
111.04426	1.2
112.07656	0.5
113.06001	42.6
115.07568	0.7
117.03371	1.8
117.06990	1.1
119.04905	0.5
119.08556	3.9
121.10126	1.5
124.03944	100.0
125.04308	1.1
127.03881	2.3
128.06207	0.7
128.07050	0.8
129.07027	1.4
131.08551	3.2
133.10110	2.2
135.08075	0.5
135.11694	0.8
137.05968	1.8
138.06335	0.4
140.07066	0.5
141.06992	0.8
142.07800	0.8
143.08571	2.3
144.09338	0.5
145.02827	4.3
145.04938	0.8
145.10109	4.4
146.03209	1.1
147.04372	0.6
147.11682	1.4
149.05988	0.7
149.09543	0.6
151.03909	1.3
155.08575	1.7
156.09343	1.1
157.10115	3.8
159.11700	3.9
161.13210	1.0
163.11165	0.6
167.08493	1.1
168.09305	0.7
169.10104	2.9
170.10840	0.5
171.11668	3.5
173.13293	1.9
175.03925	0.7
175.11224	0.8
175.14783	1.3
177.05467	7.8
177.16338	0.7
178.05843	3.1
179.08620	0.6
181.10136	2.3
182.10820	0.6
182.15382	3.3
183.11676	2.7
185.13225	3.3
187.11078	0.6
187.14822	4.8
193.10075	0.7
193.12196	0.7
194.10915	0.6
195.11647	1.8
196.12430	0.9
197.13309	1.7
199.14824	1.1
201.12682	0.8
201.16360	1.7
203.14355	1.6
205.15862	4.6
207.06506	1.1
207.11626	1.1
209.13304	1.4
209.16476	2.6
210.14888	4.0
210.16722	0.9
211.14905	5.4
213.12814	0.7
213.16353	3.1
217.12135	1.0
219.11728	0.6
221.13292	1.0
225.12735	0.7
225.16373	1.2
226.19113	0.7
227.14227	0.6
229.15768	3.3
235.14709	1.2
237.16383	1.8
239.14278	0.9
251.10852	0.5
253.15758	0.7
253.19525	2.0
255.17378	0.9
257.15201	0.7
263.17978	1.4
269.19009	1.2
271.20587	2.5
281.19031	5.6
299.20004	9.7
299.80109	0.5
317.21091	1.9
326.17529	0.7
328.19052	8.5
339.10922	0.5
422.23227	1.9
440.24271	8.1
441.24585	0.6
458.24750	0.8
500.26184	1.8
661.49872	0.7
662.50720	1.0
679.51221	4.4
680.00726	1.5
680.25739	3.2
680.51526	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	681.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33373	0.1
53.03945	0.3
55.01853	0.2
57.03422	0.1
61.02930	0.1
67.01855	0.3
68.99803	0.2
69.03428	0.7
69.07067	0.1
70.06574	0.2
73.02892	0.1
74.71884	0.1
79.23525	0.1
81.03406	0.8
84.08141	0.1
85.02895	1.2
86.09703	0.6
87.00816	0.4
89.24030	0.1
91.05485	0.2
97.02898	0.4
99.04440	0.2
105.01869	0.2
109.02856	0.4
110.07164	0.3
117.01868	0.2
118.90481	0.1
119.04922	1.1
119.49881	0.1
121.02857	0.4
127.03913	0.6
129.01825	0.1
129.10208	0.2
136.09291	0.1
145.02847	0.5
145.04985	0.2
153.01822	2.5
157.96939	0.1
158.28865	0.1
159.02852	0.4
163.03926	0.2
171.02927	0.2
181.04904	0.2
203.07150	0.1
207.04430	0.1
225.05434	0.2
243.06508	0.2
271.05978	100.0
272.06335	4.0
284.06796	0.1
295.06033	0.2
313.07010	0.4
323.08801	0.1
337.06937	0.2
342.92673	0.1
348.62445	0.1
379.07922	0.2
433.11258	7.0
434.11526	0.3
461.49722	0.1
485.87048	0.1
681.20190	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	681.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.2
51.02368	0.2
51.96564	0.2
53.00297	0.4
53.03941	1.3
55.01871	1.9
55.05513	0.9
57.03432	1.3
61.02916	0.3
61.92984	0.2
63.02351	0.2
65.03934	7.8
67.01852	1.3
67.05496	3.3
68.99427	0.2
68.99789	3.0
69.03423	12.6
69.41321	0.5
69.41721	0.3
70.06556	0.4
71.01341	0.5
71.04975	0.4
76.03143	0.2
77.03913	0.4
78.04713	0.8
79.01832	0.5
79.05496	1.2
79.83237	0.2
81.03412	6.2
82.04177	0.7
83.01321	0.7
83.04975	3.7
85.02393	0.3
85.02898	5.4
88.03128	0.2
89.03903	1.0
91.04937	0.3
91.05475	4.7
92.02602	0.3
93.02861	0.3
93.03402	4.5
95.01315	1.2
95.04405	0.3
95.04959	3.7
95.20647	0.2
97.02245	0.2
97.02879	3.6
97.06513	0.5
98.23407	0.2
99.04441	0.9
101.02394	0.3
102.04671	2.3
103.03941	0.2
103.05476	1.3
104.06245	0.4
105.03416	1.1
105.04475	0.5
105.07020	2.9
106.04165	0.3
107.01308	0.4
107.04932	1.4
108.02093	0.6
109.02174	0.2
109.02869	3.0
110.03684	1.1
111.00786	1.4
111.04434	3.3
113.02392	0.2
114.04668	0.2
115.05448	2.7
116.02586	0.7
117.03340	0.4
117.07012	0.8
118.04153	2.3
119.04932	4.1
120.02055	0.6
121.02861	6.4
121.03809	0.3
123.00773	1.5
123.04422	2.5
124.01581	0.3
125.02332	1.4
125.05981	0.6
127.03905	7.9
127.05340	0.3
128.06195	0.9
129.03340	0.4
129.06982	0.9
130.04141	4.8
131.04932	2.7
131.08542	0.4
132.05705	1.0
133.02829	1.7
133.06485	3.5
134.03636	1.2
135.04382	0.9
136.01564	1.3
137.02315	2.6
138.03136	2.2
139.00247	1.0
139.03888	2.2
139.04893	0.2
139.05409	0.3
140.04671	4.8
141.01808	0.7
141.06970	1.1
142.02557	0.3
142.04131	0.4
143.04889	0.5
143.05978	0.2
144.01028	0.2
144.02060	3.2
144.05675	0.7
145.02841	1.4
145.04967	0.4
145.06490	1.6
146.03604	0.7
147.04395	3.7
148.05159	0.3
149.02327	6.1
149.06003	0.3
151.00272	0.6
151.03917	1.2
152.01021	0.8
152.06163	0.3
153.01813	2.6
153.05434	1.4
153.06839	0.4
154.02573	1.0
154.06206	0.5
155.04900	0.5
155.06009	0.4
155.07031	3.3
156.05644	0.3
157.01312	6.1
157.03911	0.3
157.06464	1.1
158.03609	0.3
159.00768	0.4
159.04356	0.8
159.08037	0.5
160.01518	0.5
160.05228	1.2
161.02338	4.0
161.05971	4.1
162.03113	2.0
163.03886	1.8
164.04663	0.4
165.01871	0.8
166.02606	0.4
166.99715	0.2
167.03384	5.2
167.04829	0.4
167.07051	0.9
168.05710	0.2
169.01308	0.6
169.06456	0.6
170.02080	0.5
170.03584	0.4
171.04381	0.5
171.06508	1.8
171.07941	0.4
172.01544	0.8
172.05185	0.5
173.02292	0.5
173.05930	1.3
174.03043	0.5
175.00287	0.2
175.03900	4.0
175.07547	0.3
176.04678	3.7
177.01811	2.1
177.05429	1.2
178.02577	2.4
178.06157	0.3
179.03371	0.2
179.06990	0.5
181.01605	1.4
181.04938	39.5
182.02083	1.0
182.05255	0.6
183.02837	0.3
183.04340	0.4
184.03671	0.2
184.05226	0.5
185.00850	0.2
185.05879	0.8
187.03896	0.6
187.07515	0.5
188.04605	1.4
189.01817	0.9
189.05458	2.7
190.02588	4.6
190.06154	0.4
191.03360	3.6
191.07008	1.8
192.04036	0.3
193.04997	0.2
193.08617	1.0
195.02859	2.9
195.04440	0.2
196.05183	0.3
197.04428	2.7
197.05983	0.5
198.01575	0.6
198.06674	0.4
199.02258	0.4
199.03914	0.3
199.07535	0.4
200.03021	0.3
200.04688	0.4
201.05356	0.5
203.07019	1.5
205.04941	100.0
206.05516	4.1
207.06493	5.0
209.04413	0.5
211.07530	0.2
212.04646	0.2
213.03897	12.8
214.04333	0.3
214.06213	0.3
215.03487	0.3
215.06946	1.0
216.04152	0.5
217.04968	1.4
217.08514	0.8
218.05742	0.3
219.02888	0.2
219.06473	1.8
220.07259	0.3
221.08057	1.3
223.05981	14.7
224.04559	0.3
224.06534	0.5
225.05391	0.5
226.02502	0.2
226.06215	0.6
227.03537	0.2
227.06975	0.5
228.04257	0.4
229.04956	0.6
229.08528	0.3
230.05739	0.9
231.06500	1.2
232.03531	0.2
232.07298	0.2
233.04440	0.7
233.08066	1.6
234.05171	0.3
235.06075	0.9
235.09642	0.2
241.04884	0.7
242.05740	0.6
243.06516	0.7
245.04382	0.5
245.08051	1.8
247.05978	2.2
247.09663	0.5
249.07561	5.6
251.05457	0.3
253.04967	1.9
254.05693	3.8
255.06482	0.7
257.04449	0.6
257.08020	0.9
259.05933	1.0
259.09616	0.2
261.03897	0.3
261.07535	0.5
263.09082	0.7
264.03961	0.2
265.04785	0.3
265.07260	0.2
267.06650	0.3
268.07352	0.3
269.04480	1.1
270.05237	0.9
271.05981	11.0
272.06400	0.7
273.07510	0.6
275.05722	1.0
275.08725	0.9
277.07037	6.6
281.04489	1.4
282.05203	4.6
283.05923	2.7
284.06763	0.4
285.03940	0.6
285.07538	1.5
286.04590	0.6
287.05530	0.2
287.09036	0.4
289.07095	0.4
291.02606	0.3
291.08594	0.7
293.04401	1.4
295.05963	0.5
296.06653	0.2
297.03983	0.3
299.05478	12.8
300.06250	13.8
301.06766	0.8
303.08597	0.6
307.05923	0.4
309.03815	0.6
309.07547	0.5
310.04572	0.6
312.06564	0.2
313.07028	1.2
314.07718	0.7
315.08582	92.7
316.08945	3.6
319.08093	0.3
323.05569	0.5
324.06189	0.3
325.07068	2.0
327.08578	0.3
329.10147	2.7
330.10510	0.3
331.08081	12.2
332.08405	0.5
337.07175	0.3
339.08603	7.1
340.08838	0.2
343.08185	0.4
349.09149	13.2
350.09518	0.8
357.09570	0.2
365.06436	0.7
367.10211	9.6
368.10718	0.5
375.10709	0.3
381.09732	0.2
407.06036	0.2
413.10126	0.4
417.11682	0.4
459.12500	0.5
461.08740	0.3
477.11636	1.3
487.09924	0.2
491.13046	0.6
501.13617	0.6
519.12830	5.5
520.12616	0.4
549.12518	0.2
649.15515	1.4
681.18060	5.4
681.29871	0.3
682.18591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.2
51.02377	3.2
53.03944	4.0
55.05512	3.5
57.07066	2.6
59.04990	8.5
65.03959	1.1
67.05500	5.8
68.72961	0.9
69.03423	1.8
69.07056	4.9
73.02908	2.7
73.06562	2.2
75.65405	0.9
77.03925	1.9
78.03448	16.6
79.05483	4.8
80.05016	7.1
81.07050	5.7
81.07466	0.9
83.08625	1.6
85.02895	1.1
86.09701	1.0
87.04479	4.9
89.06026	9.1
90.34988	0.9
91.05470	8.4
93.07052	5.8
95.04967	14.0
95.08612	5.9
96.04484	7.8
97.02898	2.6
97.06552	1.9
97.10153	1.3
103.05490	3.3
103.07575	5.2
105.03387	70.1
105.04419	5.9
105.07018	40.7
105.07737	1.5
106.02911	31.4
106.07388	2.6
107.08605	4.7
109.06532	1.9
109.10136	2.0
111.04424	1.0
111.08106	1.3
117.07010	1.9
117.09127	1.1
119.08553	10.1
121.06514	3.2
121.10151	4.5
123.11794	1.4
124.03945	100.0
125.04305	1.2
125.05979	1.7
127.01604	2.0
128.06276	1.5
129.07025	2.1
131.08519	5.1
133.08626	4.0
133.10110	6.0
134.65128	0.9
135.08084	1.2
135.11676	1.2
139.01578	3.7
141.06952	1.1
142.07797	2.7
142.43195	1.0
143.08575	4.2
145.10117	7.1
147.08046	6.8
147.11711	3.6
149.09705	1.2
155.08594	2.7
156.09377	3.5
157.10144	5.6
159.08084	1.6
159.11681	5.1
161.09697	1.1
161.13190	1.1
167.08600	1.1
168.09399	1.5
169.10161	4.3
170.10898	2.4
171.11685	7.4
172.12367	1.2
173.09647	4.9
173.13283	4.3
174.10419	1.1
175.11191	1.5
175.14833	1.1
177.11209	2.1
179.08563	1.6
180.09555	1.1
181.10150	2.3
182.10820	1.8
183.04156	1.1
183.11673	5.8
185.09619	2.0
185.13164	2.0
186.10442	1.4
187.11211	4.5
187.14754	4.9
189.12770	1.3
193.10167	2.4
195.11754	3.3
196.12416	2.3
197.13249	4.1
199.14679	1.6
201.12819	3.1
203.14362	1.1
205.10216	1.1
207.11729	2.8
209.13290	2.4
211.14806	6.8
213.16454	2.1
215.14320	5.5
220.12450	1.9
221.13239	1.9
225.12744	2.2
225.16460	2.3
229.06200	1.0
235.14816	4.8
239.17838	1.0
247.24243	2.0
249.16385	2.2
253.16042	1.7
265.15900	1.1
265.25351	3.7
267.17480	1.3
285.14841	1.8
285.18561	2.1
291.17349	1.4
293.57330	1.0
295.16962	3.2
303.37152	1.0
313.17957	20.9
339.28687	4.5
362.44510	1.0
390.68698	1.0
435.21646	5.8
436.21301	1.1
521.50995	1.1
555.65033	1.0
558.24982	2.3
567.38568	1.0
680.38525	1.3
680.87341	4.2
681.27997	83.3
682.28302	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	681.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.6
51.02370	1.8
53.03942	1.1
53.49036	0.5
55.05495	0.8
57.07058	0.5
65.03928	0.4
67.05502	2.2
69.03409	1.0
69.07055	0.9
71.43448	0.5
77.03929	0.7
78.03444	15.2
79.05487	2.5
80.05006	5.2
81.07064	2.6
87.04443	0.9
89.06008	1.0
91.05477	4.0
93.07042	3.0
95.04965	4.2
95.08595	2.4
96.04483	8.3
97.02881	1.7
97.06504	1.0
103.05449	1.3
104.99347	0.5
105.03387	15.1
105.04484	1.1
105.07018	9.8
106.02907	33.5
106.07353	0.7
107.08606	2.6
108.04479	0.8
109.06523	0.9
109.10135	0.9
111.04406	0.6
113.05966	0.6
115.05446	0.5
117.06995	1.4
119.06046	1.0
119.08567	6.2
121.06494	1.0
121.10139	1.5
123.04398	0.6
123.07995	0.8
124.03939	100.0
125.04261	1.0
125.05983	0.8
127.01573	1.8
128.06242	0.9
129.07025	1.8
131.08582	2.5
133.06479	0.7
133.08591	0.5
133.10133	3.4
135.08054	1.8
139.01573	0.6
140.03375	0.5
141.05518	0.5
141.06969	1.1
142.07776	1.7
143.08563	2.9
144.09328	0.6
145.06468	0.5
145.10114	4.5
147.07996	1.0
147.11684	2.2
149.09595	0.6
153.03046	0.6
153.07060	0.5
154.07765	0.5
155.08510	2.2
156.09348	2.5
157.10114	3.8
158.10870	0.7
159.08020	1.7
159.11667	3.6
161.09633	1.5
161.13240	0.5
163.07657	0.4
165.07018	0.5
167.08565	1.3
168.09325	0.4
169.10106	4.2
170.10887	1.9
171.11658	4.1
172.08894	0.6
173.09636	2.9
173.13223	3.4
175.11134	0.9
179.08548	1.7
180.09277	0.7
181.10052	1.2
182.10916	1.1
183.11691	3.3
185.09641	0.6
185.13258	1.9
187.11136	2.5
187.14835	4.2
188.11844	0.8
189.12787	1.6
192.09320	0.6
193.10117	1.5
194.10800	0.9
195.11752	2.2
196.12520	1.5
197.05904	0.5
197.09766	0.6
197.13287	3.7
198.13988	0.8
199.14874	0.6
200.11931	0.6
201.12723	1.8
203.14185	0.9
205.10229	0.5
206.10844	0.8
207.11700	1.9
208.12425	0.5
209.13313	1.6
211.11263	1.0
211.14786	3.5
213.16292	1.5
215.10739	0.6
215.14241	3.3
216.15266	0.5
219.11845	0.4
220.12459	2.1
221.13338	1.3
223.14819	0.7
225.12784	1.3
225.16351	1.6
229.06042	0.6
229.12523	0.5
229.15929	0.6
231.10225	0.7
235.14784	2.5
249.16434	1.5
253.15932	1.6
255.13828	0.9
265.16992	0.4
267.17465	1.2
271.13354	0.5
271.16934	0.7
277.15744	0.5
285.14862	1.0
285.18216	1.1
292.17047	0.9
295.16943	2.4
313.17932	12.4
314.18347	0.5
436.21213	10.6
439.76385	0.5
558.24982	1.2
559.24542	2.3
568.41486	0.5
680.38306	0.9
681.27997	44.8
681.37347	1.8
682.28278	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	681.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	2.2
51.02382	3.4
52.01889	0.5
53.03936	1.3
55.05495	1.0
65.03943	1.0
67.05503	8.3
68.52054	0.3
69.03430	1.2
69.07065	0.7
71.04992	1.5
73.16109	0.4
73.89444	0.4
77.03923	1.4
78.03455	36.8
79.05492	2.8
80.05024	6.4
81.03402	0.4
81.07054	6.8
83.04996	1.5
85.06552	0.3
91.05486	5.3
93.07041	4.0
95.04964	9.9
95.08601	1.7
96.04491	11.0
97.02897	5.3
97.06509	1.1
98.22692	0.7
103.05439	0.4
103.63809	0.4
105.03394	38.2
105.04416	2.5
105.07026	5.8
106.02915	83.3
107.03265	0.7
107.08559	2.3
109.06499	1.8
109.10126	0.6
111.04469	2.4
111.08086	1.0
113.05981	0.7
115.05457	0.8
116.06207	0.6
117.07020	2.7
119.06057	1.1
119.08582	17.3
121.06519	0.6
121.10144	1.3
123.04460	0.8
123.08070	0.8
124.03951	100.0
125.04287	1.3
128.06229	1.1
129.06995	1.7
130.07780	0.8
131.08578	5.1
133.06474	0.6
133.10130	4.2
135.08061	0.9
137.06009	0.6
139.07545	0.5
141.05481	2.7
141.06949	0.5
142.07806	3.1
143.08572	4.1
144.09320	1.0
145.10114	5.6
147.08011	0.7
147.11708	1.0
149.09639	0.9
151.07513	0.4
153.07013	0.9
154.07689	0.6
155.07047	3.6
155.08557	2.3
156.09375	3.3
157.10126	6.8
158.10834	1.1
159.08063	1.7
159.11699	5.9
161.09679	1.2
165.06970	0.7
167.08574	2.3
168.09395	1.3
169.10112	6.6
170.10924	4.3
171.11674	7.1
173.09647	1.5
173.13252	5.6
178.07803	0.5
179.08595	1.6
180.09250	0.8
181.08672	0.7
181.10048	2.8
182.10948	2.2
183.11714	4.9
184.12433	3.8
185.09637	0.9
185.13246	4.8
186.10378	0.7
187.11150	2.2
187.14824	0.5
192.09386	1.4
193.10118	2.6
194.10919	1.8
195.11678	3.7
196.12485	1.7
197.09569	0.6
197.13251	12.8
198.13855	0.5
199.11185	0.5
199.14742	0.5
201.12715	2.1
202.13458	0.7
203.14352	1.5
205.10202	2.0
206.10928	1.5
207.11639	3.1
208.12390	0.9
209.09795	0.4
209.13251	3.4
210.13998	0.8
211.11188	0.9
211.14810	3.8
213.12828	0.7
215.14345	1.2
217.42703	0.4
219.11745	1.7
220.12474	7.3
221.13293	3.0
223.14851	1.1
225.12692	0.5
225.16394	2.1
229.06073	1.9
233.13277	0.7
234.14136	1.4
235.11237	0.6
235.14798	9.6
236.15379	0.8
238.13455	0.5
247.11293	0.4
249.16370	2.6
253.15956	2.3
255.13904	1.5
259.14963	0.6
267.17413	0.9
271.16934	0.6
277.15933	0.5
280.14658	0.9
285.18130	0.5
295.16876	2.6
313.17966	12.3
318.13480	1.9
327.23709	0.4
347.06812	0.4
361.82657	0.4
436.21103	2.4
558.24841	11.6
559.24408	6.5
681.28015	77.9
682.28314	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	681.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02382	0.5
51.43684	0.1
52.01916	0.1
53.03943	0.8
57.16951	0.1
59.79423	0.1
65.03937	0.1
67.05488	0.8
68.05027	0.2
69.03413	0.1
70.71061	0.2
70.71391	0.1
71.04989	0.3
77.03934	0.6
78.03451	1.7
79.04222	0.2
79.05490	0.2
80.05009	5.6
81.03448	0.1
81.07053	0.5
83.04988	0.1
91.05470	0.6
93.07042	0.5
95.04962	3.7
96.04486	4.6
97.02901	0.4
97.06535	0.2
105.03384	21.5
105.04409	1.4
105.07005	0.5
106.02914	1.8
106.03683	0.3
107.08604	0.2
111.04443	0.2
113.05992	0.1
115.05440	0.1
117.07027	0.3
119.04967	0.2
119.08572	2.7
124.03941	100.0
125.04282	1.0
128.06213	0.2
128.68883	0.1
129.06989	0.1
131.08545	0.3
133.10155	0.5
134.34053	0.1
140.03407	0.2
141.05446	0.5
142.07739	0.3
143.08557	0.4
145.10110	0.5
153.09129	0.2
155.07014	1.0
155.08366	0.3
156.09343	0.4
157.10094	0.8
158.10803	0.1
159.08002	0.2
159.11665	0.8
165.06999	0.2
167.08510	0.2
169.10066	0.6
170.10886	0.4
171.11674	1.0
173.09586	0.1
173.13277	0.5
179.08507	0.2
180.09392	0.1
181.10147	0.3
182.10905	0.3
183.11694	0.6
184.07626	0.2
184.12436	0.4
185.13226	0.7
192.09248	0.2
193.10107	0.2
194.10643	0.1
195.11682	0.4
196.12392	0.2
197.13216	1.5
201.12746	0.4
205.10132	0.3
207.11729	0.4
208.12552	0.1
209.13272	0.4
210.13957	0.1
211.14821	0.5
215.14282	0.2
220.12444	0.9
220.15829	0.1
221.13188	0.4
223.14839	0.2
225.16388	0.4
228.06487	0.4
235.14784	1.6
235.88072	0.1
239.17900	0.1
249.16374	0.5
253.12007	0.1
253.15849	0.4
255.13782	0.3
267.17468	0.2
271.16711	0.3
277.15924	0.4
280.14514	0.2
295.16956	0.8
313.17944	3.9
314.18576	0.1
391.10483	0.1
435.21030	0.1
436.20901	0.3
462.79062	0.1
558.24817	12.9
559.25043	0.9
681.27899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01564	0.2
51.02374	0.3
52.01880	0.3
53.03932	0.6
55.05495	0.2
56.59123	0.2
61.02913	0.2
65.06320	0.2
67.05486	0.8
69.07055	0.4
69.74717	0.3
69.75071	0.6
77.03909	0.3
78.03445	2.5
79.04242	0.2
79.05486	0.6
80.05007	5.9
81.07051	1.0
83.08610	0.2
87.04447	0.2
89.06008	0.2
89.14776	0.2
91.05463	0.8
93.07040	0.5
95.04963	1.8
95.08598	1.0
96.04485	5.2
96.08899	0.3
97.02883	0.5
105.03378	9.8
105.04521	0.5
105.07018	1.7
105.89116	0.2
106.02901	4.8
107.08584	0.6
108.04477	0.4
109.10130	0.2
119.08574	0.9
121.10107	0.5
123.08035	0.2
124.03935	100.0
125.04269	0.8
129.07010	0.3
131.08543	0.5
133.08530	0.4
133.10135	0.7
135.11604	0.2
135.16539	0.2
142.07744	0.2
143.08572	0.6
145.10089	1.0
147.08006	0.5
147.11674	0.5
155.08575	0.2
155.61122	0.2
157.10126	0.6
158.10732	0.2
159.07996	0.2
159.11737	0.9
161.09642	0.3
161.13292	0.3
166.07495	0.2
169.08768	0.3
169.10121	0.8
170.10869	0.2
171.11717	1.0
172.12416	0.2
173.09648	0.5
173.13222	0.4
175.11208	0.3
175.14867	0.3
179.08566	0.2
181.10120	0.2
183.11699	0.6
185.13272	0.7
187.11160	0.5
187.14792	1.2
189.12648	0.5
193.10158	0.3
195.11670	0.4
197.13112	0.4
201.12837	0.2
207.11748	0.4
209.13283	0.5
211.11034	0.2
211.14816	1.1
215.14342	1.8
220.12370	0.4
223.14951	0.2
225.12691	0.3
225.16400	0.5
228.06526	0.4
231.10127	0.3
235.14835	0.5
245.22699	0.2
246.22818	0.2
249.16409	0.4
253.12329	0.3
253.15834	0.5
255.13881	0.3
257.11624	0.2
263.23843	0.3
264.23972	0.2
267.17493	0.4
271.16904	0.2
285.14792	0.7
285.18497	0.6
287.86703	0.2
292.17218	0.2
295.16824	1.3
313.17932	6.5
316.62878	0.2
381.62131	0.2
388.57974	0.2
436.21191	6.1
437.21381	0.3
456.38248	0.2
508.24847	0.2
544.14856	0.2
558.24792	1.5
559.23846	0.2
681.27924	5.7
682.28156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05465	1.5
70.82615	1.5
79.05490	2.1
81.07051	2.6
83.04980	2.1
91.05472	2.5
93.07067	1.7
95.08632	1.8
105.07048	5.0
105.07647	1.0
107.08586	1.4
119.08542	1.2
133.10156	1.5
145.10120	1.3
209.92578	1.2
222.33939	1.0
223.54955	1.1
393.27652	7.8
453.29797	5.6
621.48334	2.3
681.50507	100.0
682.50610	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	682.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31052	0.3
55.93528	1.8
67.51467	0.3
69.07925	2.1
70.06595	0.6
85.87304	0.3
93.07967	0.3
96.72752	0.3
98.23443	0.6
103.05455	0.6
121.02892	0.4
131.04932	1.2
139.00258	0.4
145.02829	4.8
166.97990	0.4
168.05727	1.0
182.36708	0.3
190.97916	1.0
191.98595	0.4
194.97514	0.3
203.98839	0.4
208.99039	0.9
230.00389	0.9
242.95862	0.4
251.98747	0.5
253.05113	0.4
254.00032	0.3
255.98161	0.4
257.04422	0.6
268.99185	0.4
269.99780	0.3
271.05988	0.7
281.04538	0.6
282.05112	0.9
284.98422	0.5
285.03970	0.5
297.99191	0.8
299.05463	1.7
300.06293	0.9
300.97992	1.1
307.97769	0.9
310.96426	0.9
313.07037	0.4
315.08618	6.9
316.00262	0.5
322.03973	0.4
324.97958	2.1
325.98718	1.9
326.99600	0.5
328.97427	4.8
340.97485	0.8
341.98196	3.6
342.98965	10.1
343.03036	0.5
343.99753	0.9
344.57367	0.3
346.98666	0.9
352.97281	2.2
353.98154	3.7
354.98911	3.0
355.99969	0.6
356.96985	2.2
357.00769	0.5
357.97723	0.7
358.98654	0.6
360.00201	0.6
361.00024	2.5
367.96222	0.4
369.00815	0.5
369.98367	0.9
370.98465	17.8
371.99240	20.5
372.99936	3.9
374.98120	0.4
375.98630	0.5
378.98953	0.6
384.96298	1.4
385.97177	2.8
386.01718	0.5
386.98138	0.5
387.01746	6.7
388.99634	4.5
390.00095	1.5
391.00970	0.8
394.00281	0.7
395.01062	0.9
396.01453	0.5
400.99481	2.4
404.02548	0.4
405.02679	3.7
410.03290	0.8
429.00458	0.4
442.01361	1.1
453.00391	0.6
454.01248	4.1
470.00699	0.7
471.01709	3.1
472.02350	7.5
549.01208	0.6
565.02264	0.3
606.02844	0.5
609.01208	3.4
616.01056	0.4
622.01581	0.5
623.02905	0.9
624.03491	2.0
634.01807	2.9
635.03369	0.4
637.00171	1.8
649.04614	0.7
651.01947	1.6
652.02832	6.8
653.02863	0.7
666.04553	0.9
667.05237	12.2
668.06012	1.4
682.07623	100.0
683.08099	11.8
714.60938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02422	0.2
53.03938	0.2
55.01868	0.7
55.05515	0.5
57.03416	0.4
58.45228	0.2
61.02909	0.2
62.43734	0.2
63.02371	0.5
65.03936	3.5
67.05496	1.4
68.99798	0.2
69.03427	1.9
69.07069	0.2
70.13425	0.6
73.02937	0.2
77.53861	0.2
79.05488	0.8
81.03416	1.0
83.04965	1.1
85.02895	1.4
87.00813	0.6
87.04465	0.3
89.03908	4.9
91.05466	0.6
93.03403	5.2
95.04967	0.7
96.04460	0.3
97.02885	69.9
98.03211	0.8
99.60790	0.2
100.11240	0.5
105.01884	0.5
105.04490	0.2
105.07018	0.4
107.04942	1.6
109.02853	0.9
110.03681	0.2
111.04443	1.9
114.05531	0.5
115.03907	0.2
116.66404	0.2
117.03380	6.9
117.06979	0.3
119.08559	0.3
121.02856	1.2
123.04405	0.8
125.02354	0.7
127.03909	1.0
128.06175	1.0
129.01770	0.2
129.05472	0.7
129.06996	6.3
129.07962	0.4
131.04889	0.2
131.08574	0.3
132.21240	0.2
135.04404	14.5
137.02332	2.9
138.05441	0.3
139.03883	0.6
139.05394	1.0
141.06981	2.7
145.02837	13.3
146.03169	0.2
147.03123	0.2
147.04427	0.8
147.08031	0.8
149.02324	3.3
149.05966	0.6
157.06479	6.2
158.06900	0.2
160.05167	0.5
161.05942	0.3
163.03886	100.0
164.04240	2.0
167.03397	15.7
167.04831	1.2
168.03740	0.4
168.05360	0.2
169.06482	1.7
173.05956	1.7
174.06757	0.9
175.03897	1.2
175.07526	10.7
177.05460	2.2
183.04352	0.3
185.05959	10.0
186.06480	0.3
187.07471	0.9
189.03949	0.4
192.07407	0.2
193.04900	0.4
195.04347	0.3
197.06027	0.4
201.05495	1.5
203.07025	6.4
203.08884	0.4
204.07382	0.2
205.04926	0.2
209.08121	0.2
210.14896	0.2
213.05441	5.9
214.05855	0.2
215.07228	0.3
231.06523	10.6
232.06830	0.4
241.04855	0.6
249.07639	0.4
251.09305	0.3
259.05984	3.6
270.33789	0.2
271.05966	0.3
277.07040	35.9
278.07306	1.1
295.04993	0.4
295.08136	5.9
295.11465	0.3
309.09760	0.6
311.07553	0.4
327.07101	0.3
345.08197	0.7
411.09128	0.5
460.01825	0.2
507.11325	0.4
525.12170	0.6
543.05829	0.3
543.13458	3.8
562.14972	0.2
681.49603	0.6
682.50342	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	682.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
61.02932	0.5
65.03944	4.3
67.05526	2.7
69.03416	1.3
69.33588	1.7
69.33994	0.9
79.05492	0.8
81.03436	0.7
83.04988	1.2
85.02917	1.4
89.03911	4.8
91.05489	1.6
93.03407	5.0
97.02890	68.6
98.03188	0.6
98.22704	1.0
102.05531	1.2
109.02881	1.1
110.03659	0.6
111.04476	1.2
117.02559	1.0
117.03374	13.9
119.04881	0.7
120.08121	1.3
121.02895	3.1
124.05209	0.8
125.02341	1.0
125.05997	1.2
127.03990	0.7
128.06212	1.1
129.07005	4.1
134.03670	0.6
135.04399	0.8
137.05952	1.1
139.03844	0.8
141.06973	1.9
142.25780	0.5
145.02843	46.1
146.03209	0.9
147.04416	0.6
149.02342	7.3
149.05945	5.8
151.03918	2.1
157.06467	5.6
167.03404	33.0
167.04823	2.0
169.06477	2.0
177.05464	100.0
178.05801	1.8
183.04530	0.6
184.05069	0.6
185.06032	1.7
186.05557	0.9
187.07590	0.8
188.08215	0.7
189.05457	0.8
189.09084	5.6
199.07544	4.5
200.22385	0.7
207.06491	1.2
213.05545	0.9
215.07030	1.1
217.08612	4.8
227.07051	4.6
245.08107	10.4
255.06401	0.8
273.07565	2.8
291.08618	26.5
292.08932	0.9
292.19095	1.3
309.09644	3.8
366.33206	0.6
386.13812	1.0
405.02481	1.5
434.06439	1.5
499.47284	0.6
557.14856	4.1
585.06781	1.1
586.07483	1.4
636.87622	0.6
682.37463	1.9
683.13177	1.2
709.21478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86873	0.5
56.05036	0.6
65.03943	4.5
67.05494	1.8
68.99807	0.6
69.03434	1.5
69.17131	2.0
69.17534	1.0
78.24804	0.4
81.03398	0.6
81.47664	0.4
83.04958	0.8
84.04505	0.6
85.02920	1.2
87.04504	0.5
89.03912	4.9
91.05480	1.6
93.03404	5.6
95.04991	0.7
97.02890	73.2
98.03210	0.8
102.05486	0.7
102.78178	0.4
104.05320	0.9
105.01846	0.6
105.06929	0.4
107.75878	0.4
108.30642	0.4
109.02892	1.1
109.10130	0.4
110.03657	0.5
111.04441	1.6
117.03381	14.7
118.03650	0.4
119.04974	0.6
120.08096	0.9
121.02866	3.1
124.05195	1.0
125.02287	0.7
125.06008	0.8
127.03920	0.6
128.06244	1.1
129.07002	4.1
131.04872	0.6
134.03622	0.9
135.04422	0.9
136.06169	0.8
137.02368	0.8
137.05925	0.5
139.03835	0.7
141.06989	1.4
145.02841	51.0
146.03178	0.9
147.04381	1.1
149.02330	6.8
149.05971	5.9
151.03851	2.1
156.05659	0.5
157.06477	5.8
160.02487	0.4
162.80354	0.5
163.03825	0.6
167.03400	38.0
167.04793	1.8
168.03722	0.5
169.06448	2.1
174.06834	0.6
175.07533	0.7
177.05463	100.0
178.05798	2.4
185.05959	1.8
187.07500	1.2
188.08327	1.1
189.05428	1.1
189.09119	5.5
199.07503	4.9
207.06503	1.7
212.04727	0.6
213.05466	0.8
215.07150	1.0
217.08626	5.6
227.07053	5.0
245.08092	10.7
255.06718	0.8
273.07581	2.4
283.22427	0.4
291.08615	31.2
292.08994	0.8
292.19067	1.3
300.02618	0.5
309.09647	5.4
325.09390	0.7
386.13821	0.8
404.14835	0.6
405.02426	1.2
419.07892	0.6
434.06323	1.1
557.14911	4.9
567.05579	0.6
585.06348	0.9
586.06958	0.8
682.38306	2.4
683.13251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2753
Annotation	Scutebarbatine I
Peak:m/z	Relative Intensity
50.01586	0.7
51.02380	1.0
52.01901	0.2
53.03936	0.4
55.05496	0.2
65.03934	0.3
67.05494	2.8
69.03413	0.6
69.07063	0.5
69.31934	0.6
69.32343	0.4
71.04976	0.8
78.03449	16.2
79.04215	0.3
79.05475	0.7
80.04541	0.4
80.05010	6.9
81.07053	2.1
83.04973	0.6
91.05476	1.9
93.07054	1.3
95.04956	1.3
95.08601	0.5
96.04486	7.9
97.02875	1.5
97.06509	0.4
100.42558	0.2
103.05474	0.2
105.07011	2.0
106.02908	37.0
107.03207	0.4
107.04945	0.2
107.08565	0.8
109.06518	0.7
111.04435	0.8
111.08065	0.3
113.05999	0.3
115.05396	0.2
117.07040	0.9
119.06044	0.4
119.08574	7.3
120.08869	0.3
121.06478	0.2
121.10149	0.6
123.08042	0.3
124.03941	100.0
125.04316	1.1
128.06218	0.4
129.06987	0.8
130.07799	0.2
131.08548	1.8
133.06503	0.3
133.10130	1.6
135.08086	0.5
137.05962	0.2
139.07564	0.2
140.03403	0.3
141.05455	0.8
141.06950	0.7
142.07773	1.0
143.08551	1.8
144.09270	0.3
145.10118	2.1
147.11674	0.4
149.09612	0.3
153.07010	0.2
154.07771	0.2
155.07043	1.1
155.08528	1.4
156.09325	1.3
157.10126	3.1
158.10919	0.4
159.08012	0.6
159.11681	2.8
161.09604	0.4
165.06996	0.4
167.08577	0.7
168.09303	0.5
169.10120	2.7
170.10909	1.7
171.08061	0.2
171.11688	3.3
172.08864	0.3
173.09633	0.4
173.13231	2.2
175.11183	0.3
175.14803	0.3
179.08528	0.8
180.09328	0.4
181.10155	0.8
182.10941	1.2
183.11664	2.9
184.12419	1.3
185.09669	0.3
185.13292	1.6
186.10474	0.3
187.11168	1.1
187.14816	0.3
192.09372	0.4
193.10091	0.9
194.10884	0.4
195.11671	1.5
196.12457	0.6
197.09647	0.3
197.13245	5.4
198.13844	0.3
199.14816	0.3
200.11940	0.2
201.12726	1.1
202.13441	0.4
203.14348	0.3
205.10167	0.6
206.10867	0.5
207.11664	1.6
209.13232	1.8
210.13850	0.4
211.11255	0.4
211.14803	1.5
215.14267	0.7
219.11751	0.5
220.12440	3.4
221.13290	1.1
222.13968	0.2
223.14824	0.8
225.12820	0.3
225.16379	1.0
229.06105	1.1
229.12189	0.2
233.13307	0.2
234.14091	0.7
235.14799	4.0
235.17032	0.2
236.15373	0.4
239.18085	0.3
249.16388	1.0
251.14255	0.2
253.12508	0.2
253.15843	1.0
255.13774	0.9
267.17432	0.5
271.16898	0.4
277.15799	0.4
280.14529	0.5
295.16910	0.8
313.17935	6.2
318.13351	0.7
418.20099	0.3
436.21243	1.9
559.24329	28.0
560.24823	1.5
682.27509	36.3
683.27850	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	682.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.6
51.02380	1.2
52.59860	0.4
53.46878	0.4
58.85413	0.5
67.05487	0.9
69.07039	0.5
70.15898	1.0
78.03446	11.0
79.04247	0.5
79.05479	1.0
80.05019	6.8
81.07053	1.0
82.77598	0.4
83.04982	0.7
87.04465	2.4
89.06017	0.9
91.05466	2.0
93.07034	1.7
95.04942	0.7
95.08577	1.1
96.04494	7.5
97.02892	0.7
98.23453	0.5
105.07020	3.4
106.02908	24.5
107.08622	1.0
109.06491	0.8
119.06038	0.5
119.08566	3.4
121.10123	1.2
124.03942	100.0
125.04272	1.2
127.01630	0.5
128.06184	0.7
129.07051	0.5
131.08571	1.3
133.10139	1.6
142.07777	0.9
143.08546	1.2
145.10097	3.0
147.08047	0.8
147.11630	1.6
155.08514	1.2
156.09314	1.5
157.10109	2.8
158.10896	0.7
159.08066	0.6
159.11699	1.8
161.09641	0.8
167.08556	0.5
169.10136	2.1
170.10953	0.9
171.11693	2.1
173.09650	1.7
173.13243	1.7
175.11121	0.5
179.08646	0.6
181.10127	1.1
182.10931	0.9
183.11697	2.1
185.13237	1.4
187.11226	0.8
187.14854	1.3
188.11913	0.5
189.12785	0.9
193.10199	0.5
194.36989	0.5
195.11670	1.3
197.09396	0.5
197.13261	1.4
201.12796	1.0
203.10805	0.6
207.11700	1.1
209.13167	0.8
211.14818	1.9
213.16371	0.7
215.14308	2.5
220.12531	0.8
221.13312	1.0
223.14926	0.6
225.12662	0.6
225.16318	1.1
231.10274	1.0
235.14813	1.3
255.13745	0.6
267.17310	0.7
271.17130	0.6
285.18423	0.8
295.16812	1.5
297.07788	0.9
313.17911	6.2
403.42340	0.5
436.21133	5.9
536.21252	0.9
559.24402	2.4
682.27429	41.8
683.27588	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.3
69.03425	12.0
69.54918	0.3
69.85365	0.9
70.06570	0.5
77.03915	0.3
81.03423	0.4
85.02920	0.7
89.03934	0.4
89.41324	0.2
91.05474	16.7
92.05791	0.4
94.62601	0.3
95.04951	0.3
97.02922	1.5
98.23338	0.3
99.04464	0.4
101.03876	0.3
103.05441	1.0
105.03360	0.4
105.07041	0.4
107.04939	0.3
109.02850	0.9
111.04404	0.3
114.92474	0.3
117.03367	0.3
118.04173	0.5
119.04935	28.4
120.05253	0.4
127.03908	5.4
129.03380	0.6
131.04904	0.8
132.02034	0.8
135.04462	0.4
145.02818	0.6
147.04396	24.7
148.04741	0.4
149.02309	0.4
151.03871	0.4
157.03966	3.2
157.06374	0.3
161.05975	0.5
164.04706	0.6
167.07014	1.2
175.03891	49.8
176.02696	0.2
176.04260	0.9
179.06953	1.8
181.01326	0.4
187.07477	0.5
189.05428	0.3
191.06996	0.4
192.04143	0.5
197.04439	0.7
199.40788	0.4
207.06506	100.0
208.06866	2.0
217.08719	0.3
219.06506	0.8
225.05539	0.3
225.07491	1.3
233.08037	0.4
235.06004	0.8
245.08041	0.6
253.04919	0.6
254.05736	1.2
261.07550	0.8
263.09128	0.8
264.74500	0.3
269.04456	0.4
271.05984	3.5
282.05176	1.9
283.05957	0.7
291.08737	1.4
299.05472	2.7
300.06259	4.6
301.06509	0.3
315.08594	29.1
316.08823	1.1
333.09616	0.5
351.10764	9.3
359.14801	0.7
369.07449	0.5
369.11795	7.5
683.07813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05646	6.0
65.03931	3.0
66.13850	0.9
68.05016	1.1
69.05950	7.2
70.02233	1.0
70.06593	7.7
72.05646	1.8
86.06051	1.8
91.05451	7.8
92.04972	1.0
93.03390	1.8
93.07021	1.1
94.02931	1.9
95.04970	1.9
96.04478	15.8
103.05466	9.3
105.03384	3.5
110.06051	1.3
111.05578	1.1
112.08733	5.5
120.04456	3.9
121.02882	3.9
121.06504	23.2
121.07332	1.8
128.08180	1.5
131.04927	25.6
136.08803	1.0
138.05499	1.2
140.03423	2.8
146.05939	1.1
148.03860	1.0
149.02330	2.6
150.63141	1.5
152.07083	1.9
153.05463	2.3
164.03383	1.9
168.02911	8.6
170.02325	6.0
180.06483	1.4
181.04976	1.2
187.05049	2.0
188.03415	3.5
189.01862	3.2
189.04143	1.1
190.04807	1.4
191.03426	1.2
191.08560	4.5
192.02963	4.8
201.06970	1.5
201.92827	0.9
202.07829	1.7
203.08580	2.9
206.04509	3.7
207.02879	18.5
208.07182	1.4
210.03900	1.0
215.04497	6.6
216.02907	43.4
216.04984	2.2
217.01308	10.7
218.04550	1.4
219.08070	4.4
221.04320	1.3
224.06668	1.7
224.94946	1.0
228.02812	1.4
230.09608	1.8
231.04034	1.1
231.08177	1.9
233.05525	2.0
234.03960	100.0
235.02383	3.8
235.04393	2.5
238.07001	2.9
241.02400	1.0
241.04875	1.0
246.03979	1.9
247.07565	3.3
248.05499	34.2
249.03874	7.6
256.02322	1.3
256.07437	1.7
257.05838	1.8
258.09360	1.5
259.03503	32.6
262.08142	1.4
266.06647	4.4
267.10233	1.3
272.06683	4.1
272.09201	9.0
273.04956	8.3
274.03210	1.3
274.08453	2.0
275.07025	3.8
278.04584	1.6
282.07419	1.0
284.07407	3.0
290.07706	13.1
293.07968	1.1
299.07779	1.1
301.09738	3.2
302.08154	2.8
303.06473	18.3
304.06961	1.2
307.05896	1.4
308.08707	11.3
317.09128	1.6
321.07516	5.1
335.09079	7.7
345.08371	2.3
348.13342	2.6
352.11780	48.4
353.10449	4.2
363.09760	3.4
366.02579	1.0
368.07355	1.2
370.12814	5.2
376.12857	5.3
377.11160	24.0
380.04144	1.8
384.15408	3.3
394.13931	21.4
394.18741	1.9
412.15094	13.1
413.15665	2.0
452.07333	1.6
470.08655	1.6
484.10272	2.7
502.11288	1.4
526.11975	1.6
556.14209	1.2
561.16010	2.6
588.16309	7.0
605.19067	2.0
606.17682	1.9
615.18201	1.7
630.18030	1.3
647.21600	10.6
651.20239	1.8
665.22400	64.0
666.22925	4.8
683.23883	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	683.471
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68414	2.1
58.99873	4.5
71.43188	2.3
77.00909	15.0
92.78324	2.2
93.47269	2.1
95.01962	5.3
107.08525	2.2
120.50599	2.4
142.43311	2.4
178.00746	2.2
187.08148	2.8
195.08578	2.9
197.10187	10.7
201.09663	4.8
203.09166	2.5
213.09726	3.9
215.11292	31.5
221.10204	3.5
223.11749	4.3
225.13286	13.6
227.11362	5.1
231.10757	4.0
233.12376	8.7
235.11873	5.4
239.11255	4.2
241.12924	6.4
243.14395	40.5
253.12846	47.1
257.12350	3.0
261.15509	8.5
271.13895	44.9
317.19595	16.0
325.59702	2.4
335.20627	55.6
353.21747	98.0
354.21756	4.6
371.22751	100.0
372.22891	5.1
394.24268	4.5
565.35559	2.9
599.33459	2.5
683.45728	25.6
684.45807	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	683.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86322	7.3
88.10488	7.7
95.70921	7.4
111.70866	8.5
134.50209	8.2
150.93286	7.9
165.45140	8.3
272.16559	8.5
423.24576	9.5
683.50037	100.0
686.76465	9.5
701.17139	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	684.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
54.43515	0.7
55.01867	5.7
57.03426	1.8
61.02916	2.4
62.60748	0.7
68.99773	2.1
69.03423	10.9
69.87682	2.0
70.06578	0.8
70.89605	0.6
71.04980	2.6
73.02899	3.1
73.04716	0.6
73.85787	0.7
74.43119	0.6
78.04707	1.6
79.05489	4.6
81.02963	1.2
81.03414	23.8
85.02898	30.6
87.00350	1.0
87.00831	13.6
91.03939	1.9
91.05467	2.4
95.04945	2.1
95.22912	0.6
97.02886	12.8
99.04446	7.0
103.05442	0.8
105.01868	7.5
105.06982	1.9
107.04954	11.7
108.04467	2.4
109.02877	14.3
115.05435	5.8
117.01844	2.3
117.07005	15.6
120.85403	0.7
121.02880	1.0
123.04427	2.9
124.05207	2.2
125.06031	1.1
126.05537	1.3
127.03907	18.9
127.05338	0.9
128.06195	1.1
129.01788	2.0
129.06996	3.1
131.04938	1.1
131.07634	0.7
131.08513	4.1
132.05647	0.6
133.06456	1.8
141.06949	1.8
144.05673	2.7
145.04961	7.6
145.06467	38.9
147.02832	0.8
147.04373	1.2
147.07988	1.2
152.04668	1.7
155.05998	6.6
155.07050	0.9
156.05681	7.4
157.06413	1.9
159.02885	6.3
159.08038	6.5
160.05096	0.7
161.05945	3.7
163.03862	0.9
167.07024	51.9
168.07417	1.1
169.07668	0.9
172.05284	0.7
173.05971	66.1
174.06259	1.4
175.03912	0.7
175.07501	1.9
177.03830	0.7
177.05449	0.8
181.04947	2.6
181.08507	1.1
183.06519	1.4
184.05217	3.2
186.06734	1.0
187.07555	8.2
189.05513	0.7
190.06233	36.5
191.06943	2.8
193.08574	1.8
201.52069	0.7
202.06219	4.7
203.06999	7.8
204.07857	1.2
205.08585	100.0
206.08945	2.8
207.06491	1.7
209.08038	0.7
215.06926	1.0
217.08577	46.5
218.09050	1.4
219.08089	1.5
219.10133	5.1
221.06078	0.9
223.09521	3.3
229.08885	0.6
231.04871	3.1
231.08035	0.8
231.10046	0.9
233.09496	0.7
235.09613	29.3
241.47804	0.7
247.07408	1.9
247.09645	9.9
248.08005	3.1
249.11252	1.1
259.07623	1.0
261.09152	1.3
263.10678	1.3
264.07828	1.3
265.10699	41.2
266.11169	1.0
269.07980	1.9
271.09598	2.0
275.06882	1.3
276.07709	1.8
277.08838	0.9
279.10086	2.0
282.08810	1.1
287.01849	1.0
290.09396	1.2
291.10129	2.6
293.08081	1.6
299.09064	1.4
301.07254	0.9
307.09656	2.4
308.10382	1.2
315.08661	8.0
319.09647	1.1
320.10403	0.8
321.07620	0.7
323.12732	2.6
325.10773	0.8
330.10901	11.8
331.11722	3.2
339.12112	1.1
343.11694	1.5
351.12271	4.0
352.13052	0.9
353.10239	1.3
368.12393	1.7
369.13409	2.1
371.14923	3.5
383.14844	16.4
401.15909	18.7
405.06155	7.3
425.01419	0.7
435.23553	0.8
684.28998	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	684.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
57.03436	4.7
61.02925	41.6
69.03427	14.8
69.59937	3.7
71.04984	1.5
73.02913	16.8
81.03413	4.8
85.02900	92.1
86.03230	1.6
87.04435	1.9
91.03950	54.4
91.05759	1.3
92.11126	0.8
97.02261	1.8
97.02888	35.1
99.04437	4.0
100.87630	0.9
103.03920	1.9
105.44842	0.9
109.02872	8.2
115.03911	3.8
127.03912	42.7
145.04950	55.4
163.06009	100.0
164.06308	1.1
165.72981	0.8
236.00838	1.0
237.54352	0.9
247.06479	0.8
248.66637	0.8
248.80563	0.9
258.11111	0.9
271.07990	1.9
279.33691	0.8
289.09210	2.4
302.85123	0.8
307.10114	1.3
325.11279	28.1
326.11740	1.0
346.01617	0.9
485.65543	0.9
558.97668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14869	0.4
59.73241	0.3
69.48505	0.4
69.87608	0.8
69.87961	0.9
70.06575	0.4
72.23417	0.3
74.47253	0.3
79.05493	0.5
85.02883	0.5
88.11957	0.4
88.34288	0.3
90.92858	0.5
91.05810	0.5
95.01345	0.8
98.22698	0.4
107.04944	3.9
112.24236	0.5
118.78795	0.4
123.00785	1.6
131.81201	0.5
135.04411	1.5
137.02364	0.7
148.94734	0.5
151.00275	1.1
151.03885	0.6
169.01311	24.6
170.01660	0.6
193.01129	0.4
214.75278	0.4
285.03870	0.8
302.04150	0.6
303.04956	100.0
304.05270	3.3
371.45132	0.4
383.00366	0.4
454.75778	0.4
689.80048	0.5
693.59052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63741	0.4
55.90864	0.4
61.02912	1.1
64.34258	0.4
68.99789	0.5
69.03413	0.7
69.82776	1.2
69.83163	0.9
70.06589	2.5
73.02907	0.5
73.04749	0.8
79.05485	1.0
85.02911	3.2
91.03967	1.5
91.05784	1.3
95.01312	0.7
95.04970	0.5
97.02900	1.1
107.04954	3.9
123.00790	1.6
127.03909	1.1
131.04955	0.6
134.91119	0.5
135.04405	1.4
137.02347	0.7
145.02809	0.4
145.04974	1.4
147.04419	0.6
151.00204	1.3
151.03889	3.7
163.03857	0.6
163.06021	2.9
169.01328	23.7
170.01694	0.5
187.03766	0.5
194.15500	0.5
207.06522	0.9
225.04300	0.8
239.09465	0.5
254.17410	0.8
255.17896	0.5
285.03922	0.7
303.04987	100.0
304.05359	2.8
328.25900	0.8
338.79312	0.6
359.02954	0.8
383.00952	0.6
430.08890	0.6
664.59821	0.5
667.19604	0.7
685.22052	0.5
694.11768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47820	0.6
56.58978	0.6
60.05645	4.3
67.05505	0.8
68.05024	3.7
68.99797	1.8
69.05784	1.4
69.84876	1.3
69.85265	1.4
70.06591	32.7
72.05632	2.2
80.05018	2.7
83.06116	0.7
86.03539	1.0
95.04984	1.7
95.06061	1.5
96.04478	7.9
98.23357	1.0
99.34209	0.7
105.03362	0.7
107.04912	0.9
107.06079	1.1
108.04474	1.4
110.07170	1.1
111.07916	1.1
112.08723	24.9
118.16792	0.7
122.06024	1.1
123.04433	2.1
137.06020	1.2
137.07101	2.3
138.05472	0.9
139.00282	0.9
147.04393	1.7
147.05524	0.8
148.03908	1.7
150.05496	2.9
151.03902	2.4
161.05862	0.7
162.05504	1.5
163.03812	1.5
165.05405	1.4
165.06625	1.6
166.05034	1.0
169.01349	1.4
174.05492	0.7
175.03748	1.2
175.05148	3.2
176.03409	5.2
185.00911	1.0
187.03886	25.3
190.04964	4.9
191.03323	1.4
191.05698	1.7
192.07860	0.8
194.04420	1.6
204.69362	0.7
210.08795	2.6
215.03340	1.4
218.04475	38.7
219.02924	2.1
219.04832	1.2
221.04277	0.8
234.08757	0.8
236.05644	3.4
239.03441	0.8
241.05009	1.7
251.07153	0.8
257.04422	11.3
258.04916	0.8
260.06641	3.4
261.04999	1.5
265.08585	2.9
271.05728	0.7
278.07703	80.9
279.07971	2.8
279.10962	0.8
281.08020	4.5
285.03918	16.1
293.08167	2.0
294.07639	1.9
296.08707	5.5
303.05060	1.9
307.05878	0.8
308.09219	3.6
309.07675	5.4
309.10913	1.0
311.09079	1.5
322.10785	1.4
323.11450	2.5
333.08719	1.7
335.10178	1.2
336.08688	12.0
337.06940	7.4
340.11511	0.9
354.09775	2.2
361.08231	5.1
372.10947	2.5
378.10956	3.2
379.09375	2.2
381.15546	2.2
382.13605	3.6
396.11890	100.0
397.12259	6.4
414.12924	37.6
415.13174	2.7
552.53497	0.7
649.18835	1.6
678.09570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05635	1.6
68.05029	5.8
68.99795	8.8
69.03416	0.7
69.05808	1.6
70.06593	48.5
72.05654	0.9
80.05009	1.5
81.03410	0.7
85.02927	0.7
86.03564	0.9
91.05460	0.8
94.02930	0.7
95.04960	1.0
95.06058	1.4
96.04489	6.0
98.06071	0.7
98.07235	0.7
99.07902	0.6
103.05466	1.4
105.07033	3.6
107.04975	0.8
108.04468	2.2
109.02885	0.8
110.07155	1.3
111.07922	1.2
112.08726	36.7
117.07114	0.6
119.04936	1.1
120.04472	0.9
121.02805	0.5
122.06037	2.0
122.81927	0.6
126.05487	0.9
127.03925	0.9
131.04918	5.5
134.06009	0.8
137.05949	1.6
139.00262	1.6
147.04401	1.1
148.03929	1.4
150.05510	2.3
151.03889	12.2
151.07591	1.3
154.06168	0.9
162.05473	0.9
163.03934	1.9
165.05476	2.3
166.99753	4.2
168.06590	0.8
169.01265	0.8
169.04971	1.3
174.05486	1.1
175.03893	3.6
176.03461	5.0
177.05501	0.7
185.00801	19.5
187.03867	1.7
189.09065	0.7
190.04973	6.2
191.03372	1.6
193.04916	0.7
194.04506	1.9
195.04430	0.9
207.02940	1.6
208.06003	1.0
209.04462	1.0
210.08728	2.7
218.04477	51.1
219.02902	3.6
219.04886	1.5
232.07137	1.1
236.05534	2.0
243.03986	1.2
243.06453	1.1
253.04880	0.6
260.06622	3.0
261.04886	0.8
271.05988	15.4
275.13849	0.6
278.07727	25.3
279.10364	1.0
280.09872	1.3
293.07996	3.6
296.05551	1.1
296.08771	1.4
313.09116	1.2
322.10709	20.5
323.08759	0.7
331.15402	0.7
332.15564	1.2
340.11819	8.6
347.10239	0.6
355.10507	1.5
364.12866	4.4
382.13965	100.0
383.14215	4.9
398.13397	1.1
413.14499	1.6
563.14020	2.3
649.19409	1.8
667.19775	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05656	9.5
68.05033	5.6
68.18291	1.5
68.99796	5.1
69.05810	2.6
70.06590	100.0
72.05637	6.3
73.04741	2.5
73.06417	9.8
80.05004	6.0
81.33374	1.6
85.02908	3.4
91.05476	4.8
94.06561	3.7
95.04987	2.5
95.06104	1.9
96.04491	34.2
96.05081	2.3
98.97613	2.0
103.05482	5.3
104.04999	4.0
105.03341	1.6
105.07001	2.0
108.04480	6.0
112.08727	54.0
114.71922	1.4
116.98636	1.7
118.92619	1.8
119.04926	2.2
121.02881	1.9
122.06036	21.8
123.04455	2.7
130.09753	6.7
131.04916	18.6
132.05293	4.5
135.04489	2.6
137.06018	2.4
140.07054	3.6
147.04407	5.5
147.05507	2.1
150.05484	13.7
151.03912	7.2
158.08115	3.0
160.75830	1.4
162.05511	1.5
163.03909	5.6
165.05374	1.7
165.06657	2.0
166.99770	1.4
168.02942	2.1
175.03792	2.9
176.03421	6.7
178.01244	1.4
180.22630	1.4
185.00758	9.1
185.05737	1.7
187.03877	29.8
190.04997	5.8
191.03374	2.0
206.04485	1.8
207.06451	2.5
210.08821	3.6
213.05602	1.7
218.04485	59.7
219.04832	3.3
229.05003	4.4
236.05592	6.4
241.04921	3.3
242.11325	5.8
250.08286	2.7
252.10088	2.3
257.04456	10.3
262.08771	2.4
263.07135	2.4
265.08755	2.7
269.08212	1.7
271.06033	6.9
278.07724	27.1
280.09671	2.3
281.08109	2.6
285.03958	9.7
290.08112	3.4
292.09613	3.1
293.08228	5.3
294.07471	3.8
296.08755	13.1
308.09222	6.5
309.07489	2.2
309.11005	2.1
310.10736	3.4
318.07645	3.5
322.10751	13.6
323.11014	4.7
333.08319	1.6
336.08636	68.1
338.10321	2.9
340.11719	6.1
347.04300	2.1
352.12769	4.3
354.09692	10.4
357.18765	1.7
361.08240	3.4
364.12943	2.5
372.10815	2.7
378.10876	6.7
382.13937	24.9
396.11862	58.0
396.16879	3.5
397.12027	4.5
399.16162	5.1
413.15051	1.9
414.12808	61.0
415.13800	2.5
556.12506	2.0
649.19470	2.6
667.21820	6.6
685.23688	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	685.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
60.05647	4.7
65.03948	0.7
67.05497	1.8
68.05028	1.0
68.99791	0.9
69.48357	2.4
70.06590	6.0
71.05009	0.8
72.05634	2.1
73.04739	0.6
73.06429	1.2
74.34708	0.5
77.03946	0.5
79.05492	2.2
80.05002	3.7
81.03416	0.6
86.06071	0.9
91.05415	2.9
94.06557	2.7
95.04961	4.2
96.04485	1.2
98.06067	1.1
103.05462	17.5
104.04989	1.5
105.03403	1.6
105.04519	2.5
107.04982	1.4
108.04470	14.7
109.02921	0.5
110.02406	0.7
112.07617	1.6
112.08734	1.5
113.06010	1.1
119.04967	0.9
120.04487	0.8
121.02894	1.2
122.06045	5.5
123.04454	3.8
123.10883	0.5
124.03979	0.7
124.08748	0.6
128.08183	0.6
129.06955	0.6
130.09767	0.7
131.04921	42.7
132.04439	1.9
132.05301	1.3
133.02892	0.9
133.03987	1.1
137.05986	2.5
137.07112	2.0
138.01866	0.9
139.07516	0.9
140.07054	38.8
141.05479	0.8
146.05977	1.2
147.04434	1.7
147.05536	1.0
148.03949	1.0
150.05505	2.8
151.03902	1.3
152.03458	0.7
154.08591	1.0
154.09781	1.1
156.02875	1.0
158.08115	21.5
162.05566	1.3
163.03880	11.4
163.05095	1.2
164.07112	1.1
165.05420	1.6
165.06644	6.0
167.02162	0.9
167.05618	0.7
168.02890	6.2
168.06583	1.0
169.00053	0.6
171.04460	0.6
173.02248	0.6
173.06006	1.2
173.09669	0.8
174.05533	0.6
176.03439	0.7
178.01381	2.5
179.06982	0.7
180.06633	0.9
181.05009	1.6
182.07930	1.0
182.09424	2.9
183.06488	0.8
185.00856	0.6
190.04958	3.2
191.03430	2.4
191.05833	0.8
192.02934	0.9
194.00871	1.5
194.04575	1.4
196.02466	0.7
197.09282	1.5
205.06247	0.7
205.09836	0.6
206.04474	0.8
208.06023	2.5
209.04442	1.4
210.08821	0.6
218.00883	2.9
218.04462	3.2
219.02940	1.0
220.06100	1.2
224.10307	2.0
226.07106	0.8
230.04477	1.2
234.04021	0.5
242.11339	49.2
243.11661	1.1
246.00404	0.9
248.10873	0.6
250.08350	0.9
259.03378	0.8
260.06784	1.3
266.11493	1.8
267.10068	3.0
268.08081	10.2
272.06494	0.9
272.09128	4.9
275.06644	0.9
276.10211	1.2
277.08664	0.6
278.07617	1.5
282.07697	2.3
284.12543	0.6
286.09253	3.9
288.01337	1.1
292.09372	0.9
293.07935	1.0
294.11279	1.2
296.09171	1.0
298.07059	1.1
304.09821	0.8
306.02368	0.9
310.10336	5.4
320.09122	0.7
322.07162	1.8
322.10715	0.8
323.11368	1.0
324.08679	0.6
324.12207	1.0
326.15094	1.0
330.13336	0.8
334.10748	0.8
336.12390	1.1
372.14459	5.5
382.14011	1.6
383.09125	0.8
387.97269	1.4
392.07571	1.0
396.15710	1.8
397.14090	0.7
410.08771	1.9
414.16681	10.4
415.07471	0.7
416.11404	0.8
459.11707	0.7
462.12161	1.2
489.12909	0.6
503.15268	0.6
519.18927	2.5
520.17059	1.2
521.15637	1.1
538.18909	0.7
545.16852	1.9
563.17657	1.8
579.21136	0.9
581.18793	3.4
625.22260	0.7
626.20483	1.3
649.22833	4.0
650.22400	1.0
651.20654	0.7
667.23956	19.8
668.22992	4.2
685.24963	100.0
686.25378	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	685.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
60.05646	4.0
67.05503	2.2
68.99792	0.8
69.15726	1.4
69.16149	1.7
70.06583	3.7
72.05637	0.9
73.04766	0.8
73.06425	0.9
73.87050	0.5
79.05489	2.0
80.05014	1.8
85.07691	0.6
91.05491	1.9
94.06568	2.2
95.04960	3.3
96.04491	0.5
98.06066	0.9
103.05468	14.3
105.03406	0.8
105.04524	2.0
105.07056	0.6
107.04942	1.0
108.04476	10.3
109.06522	0.5
109.67974	0.5
110.06084	0.7
112.07621	1.5
112.08747	0.6
113.06057	0.6
118.06559	0.6
118.76494	0.5
119.04947	0.9
121.02858	0.8
122.06025	4.6
123.04437	3.4
131.04924	36.8
132.04437	1.3
133.03970	0.9
137.06010	1.7
137.07108	1.7
138.01877	0.5
138.05550	0.7
140.03473	0.6
140.07063	31.2
141.05504	0.6
141.07289	0.5
146.05969	0.8
147.04405	1.3
147.05496	0.9
148.04015	0.6
150.05518	1.7
151.03917	1.6
152.03458	0.5
154.09775	1.4
156.02901	0.5
158.08119	15.4
160.38046	0.5
162.05544	0.9
163.03882	11.6
163.05113	0.9
164.07040	1.0
165.05460	2.0
165.06653	3.6
166.01411	0.7
167.02214	1.2
167.05492	0.7
168.02890	4.4
173.06017	0.6
173.09668	0.7
178.01369	2.2
179.08401	0.7
180.06633	0.7
181.04982	1.9
182.07944	1.2
182.09457	2.6
183.06454	1.1
186.08749	0.7
190.01413	0.7
190.05011	2.1
191.03366	0.8
191.05833	0.9
192.03050	0.5
194.00867	1.2
194.04520	1.2
196.02431	1.0
197.09331	1.1
200.09024	0.5
205.09892	0.7
208.06088	1.1
209.04594	0.7
218.00870	1.8
218.04552	1.4
220.06049	1.5
224.10345	1.5
225.05438	0.6
226.07103	0.6
230.04564	1.4
242.11339	43.9
243.11600	0.8
246.00110	0.6
266.11499	1.5
267.09988	3.3
268.08087	8.8
271.05582	0.6
272.09106	3.1
275.06628	0.6
278.07925	0.6
280.06375	0.6
282.07690	2.1
286.09036	2.9
288.01538	1.6
293.07803	0.9
294.07758	0.6
296.09070	0.8
298.07077	1.1
310.10379	3.9
322.07098	1.2
322.10681	0.8
323.11539	1.8
326.15152	1.1
334.10757	0.6
339.06784	0.6
340.04395	0.6
350.06497	0.9
372.14597	3.5
392.07770	1.5
394.12830	0.6
396.15787	1.1
410.08722	1.6
414.16629	4.3
444.10678	0.6
445.62589	0.5
462.12399	0.9
519.18701	2.2
521.15656	0.7
545.16681	0.9
546.15411	1.1
563.17926	1.1
581.19128	1.7
626.19958	0.9
649.22980	2.2
667.23914	10.4
668.22308	2.4
685.24963	100.0
686.25452	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	685.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46371	0.8
53.03942	1.7
55.05507	6.2
57.03422	1.3
65.03951	0.9
67.05499	5.1
68.02634	1.1
68.05025	2.4
69.03429	11.8
69.07059	1.8
69.62177	2.1
69.62532	1.2
70.06580	3.1
73.04736	1.3
74.04710	1.0
78.03467	2.1
79.05489	3.9
80.05012	9.7
81.03419	8.9
81.07058	5.4
82.06573	8.2
83.04976	10.7
84.04510	2.3
85.02885	1.5
87.04453	1.0
89.06004	1.1
91.05488	6.2
93.07037	6.2
95.04971	2.7
95.08605	6.0
96.04497	6.2
97.01124	1.2
98.05451	1.3
98.06048	11.1
98.23385	1.7
100.50256	0.8
105.07017	10.4
106.02930	3.8
107.08572	5.3
108.04469	17.1
109.02882	0.9
109.06563	1.2
109.10149	1.3
110.06033	32.2
111.04435	12.5
112.02187	1.6
112.07618	1.3
113.06013	1.4
114.03763	2.8
115.05453	1.6
117.07016	5.7
119.08567	12.1
121.06505	1.9
121.10150	2.7
124.03947	100.0
125.04256	1.4
126.05509	9.7
128.06227	1.7
129.07004	4.2
130.07761	1.1
131.08556	11.7
133.10133	7.1
136.03928	13.6
140.01633	2.8
141.06970	2.9
142.03217	13.1
142.07790	3.4
143.08557	9.3
144.04749	1.0
144.09294	1.8
145.06509	1.2
145.10115	29.0
145.11221	1.8
147.04346	1.0
147.11670	2.3
153.06985	2.1
154.03230	4.1
154.04979	89.6
155.05293	1.3
155.08556	5.0
156.06567	1.4
156.09355	3.5
157.10107	10.3
158.10887	2.7
159.11673	12.8
161.09534	0.9
161.13264	1.5
165.07011	1.4
166.07779	2.1
167.07004	2.6
167.08548	4.1
168.09351	1.4
169.10100	8.6
170.10886	3.0
171.11679	7.3
172.04250	1.9
172.12456	3.6
173.13239	2.1
175.14818	1.9
179.08586	3.8
180.09271	1.5
181.10110	6.8
182.10890	4.1
183.11671	5.9
185.09695	1.1
185.13278	10.6
186.02208	7.1
187.14809	94.4
188.03763	7.2
188.15147	3.2
192.09372	1.0
193.10130	4.4
194.10909	2.4
195.11673	5.6
196.12476	3.5
197.09615	2.0
197.13284	8.0
199.11226	1.3
199.14841	2.9
200.03737	2.8
203.14442	0.9
205.10080	2.5
206.10901	1.1
207.11729	4.4
208.12424	1.5
209.13268	5.3
211.14796	12.0
213.16377	2.0
215.14316	1.3
219.11858	3.1
220.12486	2.5
221.13263	3.5
223.11194	1.5
223.14847	2.9
225.04449	1.5
225.16411	1.7
229.15939	1.7
231.11792	2.8
233.13286	1.8
235.14819	10.6
236.15453	1.7
237.12743	1.7
237.16350	2.2
245.13510	2.1
246.14012	2.1
249.16415	1.2
251.14423	1.9
251.17796	4.0
253.15938	2.5
261.16403	3.5
269.19028	2.0
279.17422	24.5
297.18475	39.6
298.18802	1.6
310.18073	1.1
313.16046	2.4
328.16937	1.1
372.16440	1.4
374.17828	3.2
420.20584	1.0
438.21506	1.1
466.20505	3.3
472.21368	1.5
484.21588	5.1
495.19339	0.9
497.20715	2.7
535.57166	0.9
589.23663	1.5
607.24683	24.4
608.24982	2.2
621.35944	0.9
625.25812	11.1
667.26703	17.5
668.26483	1.1
685.33478	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	685.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24920	0.9
69.03421	8.4
79.05479	1.2
81.07034	1.3
85.02895	1.6
86.18216	1.1
91.05460	9.9
93.07053	1.6
95.08600	1.3
97.02884	2.7
105.06999	5.3
107.08591	1.5
109.02940	1.0
115.05424	1.9
117.07025	2.0
119.04944	13.3
119.08556	2.7
127.03915	3.1
131.04970	1.3
131.08556	2.0
133.06528	1.7
133.10106	3.0
143.08595	1.4
145.10103	2.0
147.04379	12.4
157.10101	1.5
159.08034	2.4
159.11728	2.0
161.05959	2.6
162.05244	2.1
163.06053	7.1
167.07042	5.5
167.08319	1.4
171.08215	1.3
171.11534	1.8
175.03896	22.7
175.14960	1.6
178.06267	2.1
181.08510	1.8
187.07532	2.6
189.05479	1.2
191.07066	3.0
193.08575	2.2
205.08466	2.6
207.06522	42.0
208.06917	1.4
217.08572	2.4
218.07852	11.9
219.06468	5.9
219.10059	2.3
221.08110	3.8
227.05371	2.6
287.01855	1.9
301.09406	2.6
303.07748	1.8
303.11002	14.0
304.11273	1.4
314.10077	1.8
316.08118	2.4
317.09015	1.4
317.20956	1.3
318.13504	3.4
327.13409	1.3
330.09686	5.3
331.10480	27.0
332.10980	2.2
335.09943	3.5
345.12045	8.4
346.12842	5.8
347.09787	6.0
349.11414	5.2
351.10693	3.3
359.10190	5.7
360.02582	1.2
361.11465	5.2
362.12561	2.3
363.13174	5.4
367.12201	1.3
369.11676	5.3
374.08633	2.3
375.09467	44.8
376.10056	5.3
378.37384	1.2
389.11005	21.1
390.11795	17.2
391.12589	25.1
405.06082	8.4
407.12094	2.3
423.15109	6.4
458.20511	3.5
472.18427	8.2
477.25949	1.4
486.20032	19.3
495.27258	2.1
498.16302	1.4
502.19562	7.4
505.25601	4.8
516.17700	2.1
523.26617	1.6
530.18958	100.0
531.19037	8.5
562.21582	67.5
562.29358	1.1
563.22101	6.1
653.25787	53.8
654.25867	4.5
685.28186	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	685.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50951	1.1
65.48332	1.0
69.21023	6.9
79.64369	1.2
81.03494	1.0
91.05844	2.2
98.22719	2.8
109.22803	0.9
145.05008	1.9
147.04416	2.1
162.05289	3.4
167.07100	1.7
188.06920	5.2
207.06607	1.7
218.08017	4.3
227.05545	2.2
266.96088	1.0
273.03946	1.2
287.01926	1.8
297.12067	1.3
309.12186	2.0
311.13596	21.3
311.16913	1.6
315.11176	4.7
319.10675	3.1
331.10742	1.7
341.08807	1.6
347.13672	1.3
359.10013	3.9
360.02673	1.4
361.11588	10.9
362.12329	3.4
363.13220	2.6
365.11304	1.7
373.11783	2.6
391.12585	11.8
392.13483	1.6
393.14334	3.8
405.06052	10.9
423.15213	10.3
440.15851	4.9
454.17368	3.9
455.18097	4.7
471.17493	1.8
472.18274	3.1
486.20096	7.2
498.16428	5.1
499.16949	10.6
500.17328	1.9
502.19461	2.1
504.19348	1.4
515.17249	1.7
516.17279	2.1
530.18848	22.5
531.19525	4.1
532.20490	2.7
562.21442	12.4
563.22076	3.5
564.23376	3.4
577.24316	4.2
609.26550	1.6
621.23096	54.8
622.23529	4.5
653.25751	100.0
654.25354	7.6
685.28394	79.6
686.29199	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	685.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	3.1
70.65199	0.9
71.41687	0.9
73.04783	1.7
78.25938	1.0
79.05496	1.0
81.03424	3.2
81.07089	1.1
85.02914	2.4
87.04464	1.8
91.05455	17.6
93.07053	1.2
95.08606	2.5
105.07080	1.6
107.08623	1.2
109.02907	1.2
109.10133	1.5
117.06976	1.1
119.04933	28.0
119.05711	1.7
119.08588	2.6
121.02902	1.4
121.06566	1.2
131.04921	1.2
133.10204	1.4
143.58092	1.1
145.06525	1.6
145.10135	1.6
147.04395	21.7
147.05571	1.2
147.11716	1.7
153.03140	2.4
157.03952	2.7
159.11754	1.8
161.06039	1.5
162.05322	1.5
163.06116	4.2
164.04686	1.3
167.05724	1.1
167.07103	2.7
171.11749	1.8
173.05965	1.7
175.03908	41.4
176.04414	1.3
177.05518	1.5
179.07094	1.8
181.04929	1.3
187.14824	1.6
207.06509	100.0
208.06947	2.2
217.08675	1.4
218.07898	10.8
219.06415	2.0
221.08099	2.6
227.05635	3.9
228.06235	1.2
253.19559	1.7
280.05145	1.1
287.02005	2.2
299.20105	1.9
301.09644	1.2
303.11011	7.4
309.12228	1.8
317.09027	1.9
317.21100	2.3
318.13739	2.3
321.67639	1.1
325.11194	1.2
330.09973	3.7
331.10556	14.6
331.14209	1.2
332.11102	1.0
335.09921	5.1
335.58255	1.0
341.14798	1.1
345.12149	5.6
346.12958	4.7
347.10043	3.3
347.13834	1.7
349.11649	8.0
351.10876	4.5
359.10242	2.5
361.11697	1.4
363.13217	3.0
367.12631	1.6
369.11771	5.2
374.09021	2.9
375.09460	26.9
376.10046	5.7
377.11374	1.8
389.11148	11.4
390.11716	10.8
390.16241	0.8
391.12601	40.2
392.13275	1.4
399.16202	1.3
405.05835	5.2
407.12317	1.9
408.12787	1.8
423.15268	7.9
437.66129	1.2
458.20767	1.7
472.18448	5.4
486.20135	7.9
498.16409	1.4
502.19809	3.6
505.25571	1.4
512.00208	1.0
516.17749	3.5
530.18970	40.6
531.19666	5.5
545.21625	1.9
562.21552	25.2
563.22174	2.7
575.60101	1.1
621.23596	3.4
646.57135	1.1
653.25970	46.3
654.26190	3.1
685.28638	51.8
686.29291	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	685.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.7
56.05030	3.2
59.05027	0.9
67.05499	3.8
68.05017	2.2
69.03419	8.5
69.07058	1.2
70.02956	1.7
73.02912	4.1
75.01305	0.8
79.05485	3.7
80.05048	1.9
80.05482	1.5
81.03414	3.9
81.07045	4.5
82.06589	2.1
82.96840	0.9
83.04967	6.6
84.04495	20.9
85.02903	1.3
86.00652	2.7
87.04451	4.6
88.02197	3.7
88.03981	22.4
89.06025	14.6
89.35060	1.0
91.05414	6.5
93.07041	3.9
95.04958	2.1
95.08607	4.0
95.26960	1.1
98.23473	1.8
100.36927	1.0
105.07030	7.3
107.08594	4.4
109.07643	1.3
109.10177	1.2
110.06046	2.3
111.04427	8.4
113.06087	1.1
116.03465	1.4
117.07019	4.1
117.78825	1.0
119.04921	3.1
119.08546	7.5
121.02873	2.2
121.06498	1.1
121.10123	4.0
122.02728	2.7
124.53924	0.9
125.07108	6.9
126.05519	3.0
128.06175	1.6
128.12564	1.0
129.06946	2.3
130.05000	17.7
130.07800	1.2
131.08563	10.7
132.01144	6.5
133.08604	5.5
133.10139	5.1
134.02742	1.6
135.08006	1.2
141.06961	1.6
142.03239	1.8
142.07777	2.1
143.08504	5.5
144.09312	1.8
145.10123	33.8
147.04404	3.7
147.11679	2.2
154.05014	3.7
154.45045	0.9
155.08490	2.8
155.09827	1.2
156.06555	2.6
156.09296	1.8
157.10120	7.8
158.10869	2.8
159.11681	12.8
159.19041	1.0
161.13249	1.4
162.05261	3.9
166.07729	1.4
167.08575	2.0
168.09334	1.0
169.10141	6.7
170.10869	1.9
171.07640	19.1
171.11638	6.4
172.12453	5.3
173.09525	1.2
173.13245	3.6
175.03928	4.0
177.11249	4.4
179.08528	2.3
181.10153	3.6
182.04506	1.1
182.10876	1.1
183.11679	5.0
185.09521	1.2
185.13257	8.7
187.14803	100.0
188.03783	1.7
188.15169	3.0
192.06554	1.4
193.10146	2.8
193.12689	1.2
195.11679	2.9
196.12379	2.6
197.13245	4.2
199.07167	1.6
199.14825	3.8
200.05498	3.0
201.12735	1.0
205.10152	2.0
206.10941	1.1
207.06523	8.5
207.11697	2.2
208.12328	1.1
209.13188	2.6
211.11180	1.1
211.14786	8.1
215.14282	2.0
217.08179	31.2
218.08014	3.1
219.11942	2.1
220.12474	2.0
221.13434	2.3
223.14687	1.3
231.04381	1.2
231.12004	1.3
233.13245	2.3
235.14781	5.6
237.16258	1.6
249.05208	1.5
251.06923	1.4
251.17862	1.5
253.15808	3.0
261.16425	1.5
279.17392	9.0
287.01868	2.1
297.18491	21.8
298.18866	1.3
308.16794	1.4
329.15463	1.3
359.10043	1.5
377.10800	1.1
390.11731	1.2
400.19379	2.2
405.06006	11.8
418.20459	8.2
443.17892	1.9
472.18411	2.6
478.22562	3.5
486.19797	4.1
490.19464	1.4
496.23480	3.2
497.23346	1.2
502.19412	2.2
511.22275	2.3
516.17212	2.2
529.23535	10.4
530.18994	18.6
531.19324	2.5
547.24988	5.3
562.21539	8.0
589.25891	14.7
607.26453	6.0
649.27795	11.4
653.15826	1.4
653.25800	20.0
667.13947	1.8
667.28229	5.4
685.15808	2.2
685.29175	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	685.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05521	1.2
55.15033	0.6
57.03420	1.7
65.03930	1.3
66.71442	0.9
67.05488	2.4
67.61720	0.8
69.03426	15.3
69.07061	1.4
69.60782	2.3
70.05955	0.6
79.05479	3.0
81.03405	1.6
81.07048	3.5
83.04961	0.7
85.02903	4.4
91.05466	18.5
93.07048	3.7
94.56348	0.6
95.04953	2.0
95.08586	4.8
97.02875	2.8
98.23475	1.2
99.04453	1.0
103.05423	3.4
105.07018	9.3
107.04936	2.9
107.08571	4.2
109.02877	2.3
109.06519	0.9
109.10133	3.0
111.04447	1.5
115.05459	3.5
117.06978	2.6
117.24208	0.8
118.04125	0.9
119.04934	26.6
119.08580	7.4
121.06453	1.7
121.10115	2.1
127.03924	6.4
128.06171	1.1
129.03336	0.8
129.06967	2.2
131.04924	2.5
131.08548	4.5
132.02104	1.1
133.06505	4.6
133.10133	5.0
135.11671	1.4
136.05212	0.9
137.05980	0.9
141.06949	1.5
142.07751	1.5
143.08528	1.8
144.05682	0.9
145.06467	4.3
145.10138	4.1
146.03543	0.9
147.04395	23.4
147.08047	1.1
147.11678	2.0
149.05951	1.0
149.13176	1.0
150.48169	0.7
151.07571	1.2
153.06940	0.8
155.06021	1.2
155.08534	1.8
156.05617	1.1
156.09354	1.2
157.03952	2.7
157.06494	1.3
157.10155	3.3
159.08028	3.8
159.11647	4.0
160.05161	0.8
161.05925	3.9
161.09676	1.1
161.13264	1.8
163.06061	1.0
163.07478	0.9
167.07036	8.1
169.10109	2.4
170.10847	0.8
171.11676	3.2
173.05962	3.8
173.09651	1.5
173.13286	2.5
175.03889	41.4
175.07471	1.5
175.14816	3.1
176.04550	1.9
178.06201	2.2
179.07043	2.0
179.08495	0.9
181.08597	4.4
183.07930	0.9
183.11601	1.6
185.13286	2.1
187.07565	3.7
187.11221	1.0
187.14781	2.2
189.05504	3.4
190.06279	0.9
191.07008	4.9
193.08580	6.1
195.08168	0.7
197.09688	1.0
197.13246	1.6
199.11172	1.2
199.14792	1.6
201.16389	1.3
205.04973	0.8
205.08569	4.6
206.05705	1.3
207.06512	100.0
207.10077	3.0
208.06848	2.8
209.08099	2.0
209.13200	1.0
212.08228	0.8
213.12637	0.9
213.16449	1.0
217.08607	4.4
218.07657	0.7
219.06508	12.7
219.09947	3.9
221.08052	8.7
223.09546	1.2
225.07436	1.7
227.18158	0.9
231.06575	1.1
231.10130	3.5
231.13701	0.9
233.08047	2.7
233.11658	1.3
237.07582	3.1
239.09164	1.0
245.11804	3.9
247.09483	1.2
251.09041	1.2
255.17488	0.9
257.08099	1.4
257.11734	1.6
261.07593	1.4
263.09161	1.3
269.11703	0.9
269.89969	0.8
273.18506	1.7
283.13171	1.3
287.01746	1.5
291.08609	1.0
291.19540	2.8
297.14874	1.7
299.19958	1.6
303.11084	1.2
311.16385	1.0
317.09921	0.7
317.21021	4.7
321.14688	0.9
331.10498	2.2
335.16370	0.7
337.17908	0.7
347.09763	1.0
351.10590	8.3
351.19641	0.9
365.21399	1.0
369.11795	13.6
375.09372	5.5
377.12125	0.8
381.11700	5.1
383.13171	0.9
389.10889	2.7
390.11682	2.1
391.12488	4.3
395.13306	2.2
405.05917	5.8
415.63641	0.9
445.23514	0.7
463.24609	1.3
469.24014	0.9
472.18039	0.8
477.26312	4.6
481.26175	0.9
486.19809	2.0
487.24551	2.1
495.27310	7.0
505.25858	8.1
523.26953	4.6
530.18872	9.1
562.21570	7.7
563.22186	1.3
653.25848	7.6
654.26306	0.7
685.26691	6.5
702.55054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93953	0.3
56.05486	0.2
57.76709	0.3
59.85403	0.2
65.03945	0.9
67.05514	0.7
68.69626	0.3
68.99790	0.3
69.03423	2.2
69.05016	0.6
69.05417	2.0
70.06567	0.3
79.05482	0.8
81.03397	1.1
83.04984	0.6
85.02886	1.7
87.00820	0.7
91.05495	0.4
93.07034	0.4
95.04955	1.0
97.02887	100.0
98.03234	1.4
99.04414	0.6
103.03925	0.5
103.05453	0.8
105.01851	0.6
105.04489	0.3
107.04934	0.8
108.02106	1.0
109.02845	0.9
111.04446	1.4
114.05513	0.4
119.04939	0.4
121.06516	0.9
123.04459	0.4
125.02343	0.3
127.00694	0.3
127.03911	1.4
129.01845	0.4
129.05498	0.7
129.06955	0.3
130.05019	0.4
131.04906	0.4
135.04404	0.5
137.05998	0.3
141.05479	1.0
145.02835	0.3
145.04953	0.3
147.04430	0.5
149.06018	0.5
151.03900	60.2
151.04974	4.3
152.04192	1.5
159.08075	0.4
161.05994	0.5
163.03931	3.0
163.07524	0.4
167.07034	2.6
169.04950	0.8
177.05420	0.9
181.04936	9.7
182.05222	0.3
187.07458	0.4
189.03915	0.9
189.05510	0.4
191.06996	0.8
194.22624	0.3
199.05917	0.4
199.07532	0.6
201.05470	0.7
211.09703	0.3
213.03822	0.3
217.08534	0.4
219.06557	1.5
223.05911	0.5
231.10057	0.4
235.09570	0.3
241.07062	2.0
246.83023	0.4
247.05995	21.0
248.06306	0.6
265.07053	13.7
283.08093	5.5
284.08368	0.3
309.05975	0.4
327.06998	0.6
345.08005	1.6
385.16580	0.7
399.09109	0.4
406.06369	0.7
513.12225	1.0
531.13330	3.7
577.87634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01864	0.9
56.09854	0.3
57.03416	0.8
57.48585	0.2
61.02912	0.6
65.03920	0.3
67.48423	0.3
68.99796	0.5
69.03431	3.5
70.06580	0.7
70.55919	0.2
71.05003	0.4
73.02907	0.5
73.04710	0.3
81.03417	2.8
82.04618	0.3
85.02904	6.4
86.09676	0.4
87.00829	2.4
91.05434	1.3
97.02888	3.0
99.04446	1.0
105.01872	1.4
105.07024	0.8
107.04954	1.4
109.02881	2.8
111.04437	0.6
115.03957	0.5
115.05457	1.2
116.06225	0.6
117.07011	1.1
120.50089	0.3
121.02858	4.1
125.07063	0.2
127.03906	3.8
128.06236	1.8
129.01880	0.4
129.07005	6.4
131.04919	0.7
131.08565	6.1
132.05698	0.3
133.06491	0.8
133.10133	0.5
141.06982	2.6
142.07739	0.8
143.04970	0.4
143.08571	1.3
144.05672	2.5
145.04941	1.3
145.06480	2.3
146.07265	0.7
147.04395	0.7
149.05930	0.3
151.03894	0.7
153.07002	0.8
155.05998	0.6
156.05656	0.5
157.06458	2.8
158.07251	0.8
159.02910	1.4
159.06735	0.6
159.08047	9.9
160.05244	0.4
160.08553	0.3
161.04465	0.3
161.05965	0.8
161.09593	2.7
163.03912	0.4
167.07062	2.4
169.06435	0.6
169.07629	1.1
170.07275	2.1
171.08060	2.4
172.05180	1.2
173.06007	2.0
173.09607	1.1
174.06712	1.0
174.08247	0.3
175.07530	1.3
177.05496	0.9
178.06146	0.4
178.61281	0.3
181.08588	0.8
184.05281	0.4
185.05865	0.4
186.06699	0.5
187.07532	8.8
187.26328	0.3
187.51387	0.2
188.08281	0.5
189.05443	0.6
189.09122	4.2
190.06281	0.5
190.09654	0.3
191.07040	0.4
192.07791	0.4
193.08484	0.5
198.06747	0.7
199.07596	1.4
201.05449	0.4
201.09128	1.5
203.07014	1.3
204.07794	5.7
205.08524	1.2
206.09334	0.8
207.06566	0.5
207.10130	0.5
216.07788	1.6
217.08513	1.0
218.09306	0.6
219.04953	0.3
219.10168	4.6
221.08160	0.5
221.11681	2.2
223.09691	0.3
229.05052	0.4
231.04955	0.9
231.10147	3.1
233.11714	9.5
234.08867	0.4
237.11287	0.9
247.09660	0.4
249.11208	100.0
250.11551	3.3
251.12770	3.4
257.04425	0.8
267.12222	2.1
285.03812	1.4
385.16495	0.3
421.09073	0.9
438.11771	0.6
439.10229	6.1
497.16504	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	686.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60368	0.6
54.00224	0.5
59.04996	100.0
69.03423	1.4
69.99376	1.6
70.06585	0.8
71.04993	1.3
73.02915	5.8
73.06553	4.9
78.99492	1.2
81.07082	0.7
85.02895	1.2
87.04456	4.1
89.06023	12.2
93.07029	0.6
95.08635	0.9
97.02870	2.7
97.06538	0.9
103.07571	74.0
104.07954	0.6
113.00011	5.0
113.06016	1.2
115.07580	1.5
117.09110	4.8
119.04901	0.6
121.02840	4.0
123.08099	0.9
125.02393	0.8
127.01555	43.8
131.07053	0.6
133.08586	6.2
137.02344	0.6
137.05972	0.7
139.01534	16.4
141.09120	0.7
147.04440	1.4
147.08983	0.4
147.10144	25.5
153.03099	51.7
159.10188	0.8
161.11775	1.7
163.03943	0.6
175.09669	0.9
177.11235	2.2
181.04976	1.0
183.04147	6.1
191.12822	0.8
197.05725	23.9
197.07497	1.2
201.05452	0.5
221.13780	0.7
227.06746	3.3
241.08321	5.7
255.06586	0.9
258.04102	0.7
259.02557	0.6
271.09534	3.4
273.03915	0.7
279.06445	0.9
285.10995	2.0
286.03659	1.9
287.01929	3.1
288.02356	2.0
288.19159	0.7
299.05371	0.7
303.12073	0.9
315.12213	1.8
327.12323	1.1
329.13727	0.9
342.64279	0.7
347.14850	1.0
359.14542	0.6
405.05960	9.8
406.06036	12.4
407.07141	1.2
419.07199	0.7
510.93854	0.6
668.14728	3.4
669.34625	2.4
686.15771	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	686.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03946	0.3
54.18853	0.2
69.16598	0.9
69.17004	0.4
73.02915	0.3
77.03922	0.9
79.05488	4.5
87.04464	100.0
88.04803	0.6
89.06020	1.2
91.05466	0.9
93.07036	0.3
95.04967	2.4
103.05457	3.2
105.07024	76.6
106.07366	2.2
109.88698	0.2
113.00006	0.5
119.08611	0.3
121.06502	2.4
122.54617	0.2
124.99998	0.2
129.07005	0.3
131.07019	0.6
131.08556	0.9
133.08588	0.7
139.01569	1.5
143.39694	0.2
147.08023	0.6
149.09631	0.2
165.09096	0.3
166.87039	0.2
175.09634	0.3
177.11206	0.4
204.15567	0.2
209.13339	1.3
219.12201	1.2
223.11116	0.3
225.12750	1.2
251.14282	1.7
263.14786	0.2
269.15466	1.0
313.17911	0.6
315.17896	0.2
327.17331	0.6
329.18942	1.2
357.19089	2.7
373.21451	0.7
433.23703	0.2
461.25320	2.0
467.10718	0.2
477.27661	0.3
563.29865	0.3
565.31085	0.3
580.27515	0.2
588.64417	0.2
590.59485	0.2
686.38220	1.2
695.53613	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	686.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
53.03947	1.1
55.05499	0.8
57.07071	0.6
59.04997	49.4
67.05497	4.9
69.27648	1.8
69.28069	0.8
73.06549	1.4
77.03924	1.0
77.07085	0.4
77.46565	0.5
79.05494	7.1
81.07042	2.2
83.08629	0.7
85.06554	0.4
87.04458	2.9
89.06028	5.8
89.98954	0.5
91.05459	7.4
93.07035	3.9
95.04959	3.9
95.08610	1.6
98.23469	0.6
103.05472	5.9
103.07572	39.4
105.04501	1.3
105.07021	100.0
106.07346	2.9
107.04918	1.2
107.08582	0.8
109.10158	4.1
117.07018	1.4
117.09116	0.7
119.04932	1.8
119.08569	4.0
121.06493	14.2
122.36414	0.5
127.01543	1.3
128.06221	0.7
129.07010	1.5
131.07071	1.1
131.08551	6.6
132.05751	0.5
133.06453	0.8
133.08612	3.4
133.10143	1.5
135.08026	0.6
135.11632	0.6
137.09583	0.5
139.01599	0.5
145.06476	0.7
147.06845	1.1
147.08052	22.3
147.10124	18.7
147.11362	0.8
149.09584	4.9
153.03130	1.2
165.09091	2.0
173.09572	0.6
173.11684	1.0
177.11192	1.3
181.10147	1.4
191.10658	0.7
191.12762	1.0
193.12268	0.9
197.05844	0.5
209.11734	1.1
223.11070	2.3
225.12721	14.2
226.13089	0.8
229.14325	5.0
249.12790	1.5
251.14342	2.5
255.36250	0.5
261.22092	0.7
269.15369	4.9
292.73596	0.5
313.17960	1.9
327.17249	0.7
335.25778	3.2
373.21683	3.9
461.27213	1.4
483.54034	0.5
489.35858	2.0
565.33429	1.0
686.28961	1.8
686.42499	5.3
687.28137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
53.03947	1.1
55.05499	0.8
57.07071	0.6
59.04997	49.4
67.05497	4.9
69.27648	1.8
69.28069	0.8
73.06549	1.4
77.03924	1.0
77.07085	0.4
77.46565	0.5
79.05494	7.1
81.07042	2.2
83.08629	0.7
85.06554	0.4
87.04458	2.9
89.06028	5.8
89.98954	0.5
91.05459	7.4
93.07035	3.9
95.04959	3.9
95.08610	1.6
98.23469	0.6
103.05472	5.9
103.07572	39.4
105.04501	1.3
105.07021	100.0
106.07346	2.9
107.04918	1.2
107.08582	0.8
109.10158	4.1
117.07018	1.4
117.09116	0.7
119.04932	1.8
119.08569	4.0
121.06493	14.2
122.36414	0.5
127.01543	1.3
128.06221	0.7
129.07010	1.5
131.07071	1.1
131.08551	6.6
132.05751	0.5
133.06453	0.8
133.08612	3.4
133.10143	1.5
135.08026	0.6
135.11632	0.6
137.09583	0.5
139.01599	0.5
145.06476	0.7
147.06845	1.1
147.08052	22.3
147.10124	18.7
147.11362	0.8
149.09584	4.9
153.03130	1.2
165.09091	2.0
173.09572	0.6
173.11684	1.0
177.11192	1.3
181.10147	1.4
191.10658	0.7
191.12762	1.0
193.12268	0.9
197.05844	0.5
209.11734	1.1
223.11070	2.3
225.12721	14.2
226.13089	0.8
229.14325	5.0
249.12790	1.5
251.14342	2.5
255.36250	0.5
261.22092	0.7
269.15369	4.9
292.73596	0.5
313.17960	1.9
327.17249	0.7
335.25778	3.2
373.21683	3.9
461.27213	1.4
483.54034	0.5
489.35858	2.0
565.33429	1.0
686.28961	1.8
686.42499	5.3
687.28137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01864	0.9
55.05510	10.7
57.03437	11.8
57.07066	1.3
59.04996	4.4
61.02926	4.1
65.03941	2.6
67.05499	91.3
67.27021	0.6
68.05811	0.7
69.03423	1.3
69.07063	7.9
69.15767	1.8
69.16183	2.5
71.04987	2.2
73.02912	1.8
77.03899	0.8
79.05486	19.1
81.06560	1.6
81.07050	34.1
83.08614	6.8
85.02907	4.3
85.05144	0.6
85.06548	3.4
87.04473	3.2
87.07055	0.7
89.06022	2.7
91.03933	1.4
91.05466	13.2
91.37293	0.6
93.07039	22.8
95.04959	3.9
95.08019	1.5
95.08601	22.4
97.02904	1.5
97.06548	1.2
97.10198	1.5
98.23508	1.3
99.08065	0.9
103.05505	1.1
105.04532	1.2
105.07019	50.4
106.07352	4.0
107.08588	11.6
109.10147	71.6
111.08092	3.2
113.00020	1.9
114.03814	0.9
117.07015	2.0
119.08576	9.0
121.10124	8.7
123.11700	2.6
125.09682	1.0
131.08540	4.6
133.10107	4.3
135.11685	7.0
137.09612	3.4
137.13277	0.9
139.01527	6.2
145.10139	3.0
147.11650	2.5
149.13254	2.8
155.10666	6.6
159.11691	2.6
161.13240	2.3
163.14806	2.8
173.11736	21.1
173.13255	3.1
175.14806	0.8
177.11189	1.0
183.04205	1.2
187.14783	1.2
189.11232	1.1
208.54816	0.7
227.12741	5.4
229.14328	100.0
230.14600	1.8
234.65945	0.7
243.21124	4.1
243.70706	0.7
261.22116	17.3
317.24747	3.1
329.18826	1.1
333.66486	0.8
335.25763	67.9
336.26120	3.0
379.29962	0.9
397.31018	1.1
415.31842	1.5
471.34427	1.3
489.35721	39.1
490.35831	1.9
507.36621	3.1
718.03748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
54.88814	0.7
55.01877	0.8
55.05506	13.1
57.03434	12.7
57.07067	2.8
57.95568	0.8
59.04995	3.4
61.02921	4.4
65.03937	2.8
67.05500	100.0
68.05840	1.2
69.03442	1.9
69.07057	6.6
69.36457	4.2
69.64901	0.8
71.04989	3.5
73.02900	2.4
73.06526	0.9
79.05491	25.3
81.07053	39.9
83.04977	1.3
83.08608	7.3
85.02890	4.4
85.06541	3.6
87.04459	1.7
89.06041	2.6
91.03960	2.5
91.05470	12.5
91.05972	1.0
93.07037	27.1
95.04977	4.0
95.08600	27.2
95.12057	0.9
97.02872	1.9
97.06515	1.1
97.10175	2.2
103.05488	1.9
105.07024	46.4
105.83329	0.8
106.07384	2.5
107.08588	13.8
109.06519	1.3
109.10149	72.2
110.10485	1.8
111.08067	3.6
113.00027	2.4
114.03839	0.8
117.07017	2.8
119.04849	0.8
119.08578	11.5
121.06546	0.9
121.10133	13.2
123.11701	3.1
125.09681	1.0
131.08548	5.1
133.08612	1.9
133.10149	4.4
135.11674	7.4
136.25972	0.9
136.33922	0.8
137.09608	3.7
137.13232	1.4
139.01515	6.0
145.10115	4.4
147.11696	3.3
149.13239	4.2
155.10652	9.5
159.11673	3.7
161.11990	0.8
161.13304	3.1
163.14830	3.1
173.11732	20.5
173.13251	3.9
174.12077	0.8
175.14868	1.2
180.07596	1.0
183.04147	1.3
187.14830	1.1
189.11353	0.7
221.95407	0.8
227.12764	5.0
229.14336	97.3
230.14748	1.4
233.22699	0.8
243.21065	5.4
251.14345	1.2
261.22116	19.7
262.22412	1.1
271.09512	1.2
299.24057	1.0
307.55136	0.8
317.24765	3.1
335.25772	85.6
336.26025	4.1
379.29959	1.2
397.30994	1.7
415.32040	1.9
447.42191	0.8
471.34576	1.5
489.35718	69.8
490.36249	4.0
507.36758	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	687.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44012	1.1
85.02924	1.3
185.04282	2.3
192.03926	13.2
193.04768	3.7
202.60980	1.3
324.08167	2.2
331.92834	1.2
355.09976	100.0
356.10342	3.0
458.04626	1.3
460.49423	1.3
664.65344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
65.03945	0.9
67.05481	0.6
69.03068	0.6
69.03426	8.6
70.13496	1.1
70.99327	0.4
73.04027	0.8
78.02939	0.4
79.05474	0.7
81.03370	0.5
81.07029	0.6
89.03896	0.6
91.05471	14.7
93.07037	1.0
95.08594	1.3
97.02878	0.9
97.10145	0.6
98.22778	0.4
103.05444	0.7
105.07023	0.8
107.04910	0.6
107.08582	1.1
109.02865	0.5
109.10171	0.7
117.07030	0.6
119.04938	24.5
119.08538	1.1
121.10109	0.5
125.47240	0.4
127.03877	3.9
129.03386	0.7
131.04970	0.4
131.08565	0.5
132.02034	0.5
133.02815	0.5
133.10115	0.7
135.04379	0.4
135.11664	0.5
136.05203	0.6
143.08591	0.4
145.02837	0.6
145.10138	0.7
147.04398	23.2
149.02354	0.8
157.03918	2.8
157.10043	0.6
159.11693	1.6
161.05948	0.5
161.13182	0.8
164.04712	0.7
167.07031	2.9
171.11575	0.6
175.03891	46.2
176.04242	1.1
177.05388	0.5
179.06993	1.6
185.13242	0.5
189.16380	0.8
191.06970	0.4
192.04134	0.8
201.16451	0.5
203.17923	0.4
205.12225	0.8
207.06508	100.0
208.06789	1.9
209.08121	1.2
219.06485	0.8
225.07681	2.3
231.13719	0.5
235.06004	0.7
255.21010	0.8
263.09213	0.6
271.94244	0.4
281.14142	1.8
283.20514	0.5
291.08539	1.5
301.21423	2.1
319.22635	3.8
351.10721	9.8
369.11774	14.2
370.12039	0.6
509.55212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
55.01857	1.5
59.04988	0.9
65.03934	1.0
67.05495	1.5
77.03931	1.0
79.05490	1.6
81.03397	2.2
85.02893	2.3
91.05467	5.1
94.04176	2.2
95.04954	2.2
96.57780	0.7
97.02929	0.7
103.05464	16.6
103.07554	0.8
105.03404	0.7
105.07018	1.8
107.04943	2.3
108.02094	1.0
109.02872	1.0
109.06525	1.3
111.04470	0.8
115.05456	2.5
117.07015	2.4
118.04156	3.2
119.04929	5.8
121.06487	1.2
122.03645	2.7
123.04426	1.0
125.05984	1.9
128.23366	0.8
129.06984	1.6
130.04108	0.9
130.87932	0.7
131.04922	28.0
133.02846	2.3
133.06496	3.1
134.03661	0.6
135.08003	1.1
136.22099	0.7
137.05974	52.2
141.05428	1.8
143.04921	2.1
144.05571	0.7
145.06482	2.6
147.04399	8.0
147.08061	1.4
148.05193	6.9
149.00562	1.4
149.05936	2.5
151.03903	71.9
151.04976	4.6
151.07512	2.1
153.03070	1.0
153.05449	2.5
160.05186	1.3
161.05989	2.4
162.06709	0.8
163.07529	15.3
165.05515	3.2
167.07025	9.8
171.04463	1.0
173.05983	2.4
174.06749	0.7
175.07541	5.4
176.04698	2.4
177.05469	2.2
178.00813	2.5
179.07062	3.5
181.04945	15.5
187.07545	1.6
189.05421	1.4
189.09096	1.6
190.06331	0.9
191.07022	100.0
192.07384	1.6
193.03185	15.1
193.04831	1.1
193.08627	1.9
195.06444	1.5
201.05273	0.8
203.06969	3.3
205.08601	2.3
207.10095	1.1
209.08099	5.0
217.08604	1.2
219.10081	0.9
221.07951	1.0
231.06517	1.6
233.08069	3.2
234.06664	1.2
235.07504	0.7
235.09642	2.6
237.09084	0.9
249.09065	1.2
263.09152	18.8
265.08661	1.2
269.11798	1.1
277.08618	1.0
282.08090	1.9
293.08014	1.1
295.09677	1.2
309.11118	1.4
314.98544	0.7
325.10648	1.6
327.12131	4.3
329.13730	1.3
337.10681	1.9
341.13568	1.0
351.12231	1.4
355.11707	10.2
357.13193	0.8
359.14941	1.4
369.13361	4.9
387.14371	33.5
388.14673	1.6
517.18384	2.6
549.21362	1.3
705.29364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
52.50550	0.6
53.77115	0.6
55.01864	1.4
57.93816	0.6
65.03925	2.3
67.05493	1.5
68.22293	0.7
69.03417	2.5
79.05493	1.6
81.03410	2.3
85.02928	4.1
85.03391	0.7
86.09699	1.1
87.00805	0.8
91.05454	6.4
93.07073	0.9
94.04182	1.5
95.04964	3.8
97.02876	4.2
97.06514	1.0
103.05466	17.5
105.01859	2.2
105.03389	1.6
105.07008	2.8
107.04974	3.2
108.02070	1.4
109.02877	1.3
109.06493	1.0
111.04455	1.5
115.05434	3.0
117.06992	2.5
118.04132	3.0
119.04942	8.2
121.06490	1.7
122.03659	4.0
123.04418	2.1
125.05977	1.6
127.03877	2.5
129.07005	2.1
130.04185	0.9
131.04929	29.9
131.08611	0.9
132.05696	0.8
133.02806	2.2
133.06482	3.6
134.03645	0.8
135.08069	1.8
137.05972	58.9
141.05463	1.3
143.04941	1.8
144.05603	1.1
145.04985	0.9
145.06482	3.6
146.03598	1.0
147.04396	8.5
147.07994	1.7
148.05179	9.5
149.00537	0.8
149.05988	2.3
151.03905	80.5
151.04984	4.9
151.07498	1.6
152.04460	0.9
152.20337	0.6
153.05443	2.4
159.08006	1.1
160.05215	0.8
161.00551	1.1
161.05928	4.0
163.07538	20.5
165.05469	3.1
167.07025	9.9
171.04396	1.2
171.06573	1.4
173.05992	3.6
175.07530	4.5
176.04652	1.9
177.05423	2.9
177.09113	0.8
178.00851	2.6
179.07037	3.6
179.08421	0.9
181.03320	1.2
181.04938	15.2
181.06430	1.3
181.08551	0.7
187.07506	2.2
189.05458	1.7
189.09093	1.4
190.06184	0.8
191.07024	100.0
192.07425	1.7
193.03189	16.1
193.04855	1.3
193.08624	2.1
195.06493	1.5
203.07036	2.9
205.06654	1.1
205.08580	3.2
207.06422	1.1
207.08183	1.0
207.10123	1.2
209.08115	4.5
217.08478	0.9
219.10204	2.1
223.09631	1.3
231.04691	1.0
233.06094	1.0
233.08119	3.7
235.09688	3.6
237.09068	1.7
245.08153	1.2
249.09142	1.4
249.25500	0.8
250.06436	1.0
254.09402	0.8
263.09155	19.3
265.08652	1.9
267.10034	1.1
277.08588	2.5
282.07996	1.2
293.08038	1.2
295.09482	1.5
297.11090	1.3
299.12820	1.0
307.09653	0.9
309.11163	1.3
325.10696	1.3
327.12180	4.0
329.13855	1.5
337.10605	2.6
339.12097	1.0
341.13788	1.2
351.12238	1.4
355.11780	9.4
357.13333	1.9
359.14972	1.8
369.13217	5.2
387.14355	36.8
388.14871	1.9
480.18115	0.7
517.18256	2.1
549.21228	0.8
618.38666	0.8
688.27820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03940	4.9
54.30961	0.3
55.01867	7.7
55.05499	1.1
57.03432	8.3
59.04982	0.7
61.02919	7.9
67.05487	1.2
68.99780	2.9
69.03420	40.8
69.07057	3.3
69.31696	1.4
70.03738	0.7
71.01347	1.3
71.04985	4.5
73.02909	18.9
79.05505	0.6
81.03407	29.9
82.03752	0.3
83.01332	1.3
83.04964	1.3
85.02894	100.0
86.03233	1.1
87.00818	51.9
87.04452	1.2
91.03941	1.8
95.04962	1.3
97.02880	56.0
99.00827	0.5
99.04443	14.1
101.02361	0.7
103.03922	2.1
105.01852	90.8
106.02211	0.4
109.02864	40.2
109.10147	0.3
111.04411	1.2
111.11691	0.6
114.76353	0.4
115.03927	3.7
117.01846	2.1
121.02863	0.5
123.04421	1.0
125.02332	1.0
127.03899	94.4
128.04253	1.1
129.01826	3.8
133.04976	0.9
139.03903	0.9
145.04936	37.6
147.02888	3.4
147.04010	0.5
149.06027	0.4
151.03888	1.5
159.02855	13.8
163.05974	0.9
169.04941	1.3
171.02800	0.5
173.04427	0.5
177.03973	0.9
181.04904	1.4
183.02946	0.5
187.05951	1.4
189.03931	3.9
193.04883	0.9
199.05969	1.3
201.03868	0.8
205.04927	0.5
211.05962	0.5
213.03915	14.6
217.07056	0.7
223.05928	3.2
231.04967	50.0
232.05397	0.8
235.05963	0.6
241.07043	2.8
249.06013	28.7
250.06439	0.6
253.07066	4.7
259.08078	1.1
271.08112	4.5
273.05991	4.8
278.91699	0.4
315.06647	0.5
327.07129	2.1
339.06973	0.8
345.08136	3.1
349.11252	0.5
357.08054	2.6
363.09216	3.5
375.09125	3.1
393.10214	7.4
411.11267	2.1
527.15076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03936	4.8
55.01863	5.5
55.05523	1.2
57.03435	7.7
57.35125	0.4
59.04994	0.6
60.04538	0.5
61.02921	6.3
62.67856	0.5
67.05495	0.8
68.99778	2.5
69.03424	49.6
69.07066	3.0
69.55775	0.4
71.01347	0.8
71.04989	4.8
71.43159	0.5
73.02914	6.7
75.04514	0.6
79.05505	0.8
80.70392	0.4
81.03410	26.7
83.01353	1.3
83.04964	1.4
85.02898	100.0
86.03248	1.0
87.00823	49.0
87.04469	4.4
91.03956	1.2
91.05479	1.2
93.07056	0.5
95.04971	1.2
96.04475	3.7
97.02885	58.1
98.03246	0.6
99.00818	0.6
99.04448	15.8
101.02361	0.8
103.03966	1.3
105.01860	94.6
106.02242	0.7
107.04917	0.7
109.02869	38.8
111.04429	1.7
111.11732	1.0
115.03917	6.8
117.01855	2.0
117.03336	0.8
117.05503	0.6
119.04948	0.6
121.06506	0.6
123.02889	0.7
123.04411	1.0
125.02342	1.1
127.03905	91.5
128.04269	1.1
129.01831	2.9
131.04959	0.6
131.94250	0.5
133.04956	3.6
137.05981	1.1
139.03900	1.1
141.01653	0.5
145.02881	2.2
145.04944	37.6
146.05368	0.5
147.02986	2.3
147.04358	2.9
148.04713	0.8
149.05888	1.0
150.07629	0.9
151.03911	1.2
153.11743	0.4
154.08563	0.8
159.02884	11.4
167.07008	0.9
169.04953	1.0
171.02898	1.1
175.03867	0.7
177.04031	0.7
177.05472	4.1
183.02867	0.8
189.03937	3.0
201.03854	0.9
207.06461	1.0
211.06046	0.7
213.03920	12.0
223.06088	0.9
224.49344	0.5
231.04973	46.2
232.05290	0.9
241.07095	1.6
249.06035	27.6
250.06345	0.6
253.07091	4.9
259.02267	0.5
271.08121	4.3
273.06143	0.9
301.09158	0.8
309.06055	0.7
327.06912	2.3
345.08243	4.6
357.08029	3.0
363.09067	1.0
368.28806	0.5
375.09167	2.3
393.10208	5.0
405.05682	0.5
411.11328	1.2
656.23541	1.1
688.25134	0.6
688.45123	0.7
701.28107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01871	4.9
55.05503	1.0
57.03429	6.0
59.04998	0.6
59.30247	0.4
60.04515	0.8
61.02926	6.2
64.18834	0.5
66.44182	0.5
67.05484	1.0
68.99786	2.6
69.03426	44.2
69.07057	2.1
71.04994	3.8
71.42834	0.6
73.02910	6.5
76.03987	0.6
77.03943	0.5
79.05486	0.7
81.03412	22.7
81.03901	1.1
81.07082	0.7
83.01344	1.0
83.04975	1.5
85.02899	93.9
86.03239	0.6
87.00825	46.8
87.04459	3.7
91.03946	1.5
91.05480	1.1
91.08045	0.6
93.07035	0.8
95.04945	0.5
96.04480	3.6
97.02886	56.3
99.04453	12.8
101.02386	1.4
103.03947	1.1
105.01860	100.0
105.07023	0.6
106.02201	0.7
109.02871	37.1
110.03166	0.6
111.04412	1.0
115.03936	6.4
117.01845	1.9
117.03365	1.2
117.05430	0.7
119.04936	1.2
121.02845	0.7
123.04440	0.9
125.02337	1.0
127.03906	91.1
128.04276	0.9
129.01811	3.0
133.04974	2.8
137.02354	0.6
137.05992	1.0
139.03870	1.5
145.02835	1.5
145.04950	38.8
147.02884	2.6
147.04399	2.1
149.05977	0.6
150.07591	1.8
151.03865	1.4
154.08682	1.0
159.02881	11.5
161.06041	0.6
163.03783	0.7
163.06026	0.9
163.46893	0.6
165.77267	0.5
169.04945	1.3
171.02875	1.1
173.04427	0.7
175.03941	0.8
177.03979	1.1
177.05435	3.2
187.06010	0.7
189.03957	3.0
205.04941	0.6
207.06381	0.7
213.03923	12.0
223.05878	0.9
231.04973	49.0
232.05305	0.9
241.06946	2.2
249.06044	34.1
250.06395	0.7
253.07123	4.9
259.08163	0.8
267.12305	0.5
271.08081	4.2
273.05936	1.1
283.88101	0.6
301.09265	0.7
307.84958	0.5
309.05820	1.0
327.06912	2.2
345.08142	4.7
357.08102	2.9
359.19659	0.6
363.09198	1.2
375.09177	3.0
393.10312	6.9
411.11087	2.4
656.23718	1.3
688.26434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.05500	3.3
57.07057	2.1
67.05496	5.5
69.07065	2.2
69.62675	4.2
69.63062	4.2
73.06560	5.7
79.05490	5.8
81.03436	1.6
81.07052	4.1
83.04981	2.2
86.09698	2.0
87.04402	2.2
89.06017	5.3
91.05481	5.9
93.07030	7.1
95.04948	12.0
95.08608	8.0
95.40673	2.0
98.22713	2.5
100.53953	1.9
105.03391	72.7
105.04498	4.5
105.07040	14.0
107.08595	9.8
109.02905	1.8
109.06506	4.4
109.10132	2.2
112.30068	1.9
115.07563	100.0
118.42094	1.8
119.08561	16.4
121.10143	5.8
124.99990	2.2
127.01546	2.6
127.95273	2.0
128.06186	2.9
129.07005	4.1
131.08549	8.9
133.08586	5.6
133.10123	10.9
135.08061	2.7
141.07033	2.5
142.07733	5.0
143.07042	22.3
143.08554	7.6
145.10115	20.9
147.11696	3.5
155.08511	4.4
156.09352	6.9
156.36618	1.8
157.06512	2.2
157.10136	12.4
158.10931	2.3
159.08069	2.8
159.11697	11.3
161.09604	3.1
161.13240	3.4
167.08487	3.3
168.09270	2.5
169.10066	4.8
170.10901	10.2
171.11690	14.5
173.09607	3.3
173.13257	7.2
175.11250	2.5
179.08641	2.7
181.10173	3.6
182.10883	1.9
183.11688	17.1
184.07339	5.6
185.13263	9.6
187.11237	2.7
187.14824	29.8
188.15401	3.0
193.10100	3.7
194.10890	2.0
195.11630	5.2
196.12500	2.3
197.13272	7.1
198.13979	13.7
199.14824	7.1
201.12746	3.7
203.14287	4.4
207.11690	6.5
208.12408	2.9
211.14911	2.3
221.13408	2.2
222.13957	4.1
223.11183	2.0
237.16364	4.7
247.14853	2.0
249.16463	3.4
255.17514	3.7
265.15833	9.2
283.16882	4.0
293.15524	4.7
301.17923	3.2
309.18436	4.5
311.16373	57.9
329.17474	46.6
371.18347	6.2
433.20154	3.5
451.20920	3.7
608.92096	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	688.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
53.66869	0.5
55.01860	1.3
55.05510	13.6
57.03428	1.3
57.07077	2.9
61.02913	1.0
63.13068	0.4
66.25576	0.4
67.05493	1.7
68.99792	1.0
69.03432	6.0
69.07066	23.9
71.04987	1.2
71.08630	2.2
71.42834	0.5
73.02913	1.5
73.06543	1.8
75.19378	0.4
79.05489	0.5
81.03416	5.9
81.07037	1.0
83.08618	13.3
85.02898	12.2
85.10175	2.5
87.00820	4.8
87.03967	0.6
87.04459	4.7
89.06026	65.9
91.03975	0.6
91.07645	0.4
93.07076	0.6
95.08597	1.3
97.02879	3.8
97.10166	17.3
99.04438	2.6
105.01859	2.7
107.07040	3.8
109.02868	6.3
109.10148	1.6
111.11715	9.5
111.12487	0.5
117.01857	0.7
125.13257	1.5
127.03912	8.2
129.01865	0.8
130.08633	0.7
133.08598	34.4
145.04977	1.9
147.04405	1.0
151.09641	3.6
159.02835	2.4
161.59908	0.5
177.11218	7.8
185.18990	3.1
195.12299	2.0
221.13870	1.8
229.21620	2.0
231.04993	1.8
234.53210	0.5
239.14873	21.2
240.15361	0.5
249.95575	0.5
255.23245	0.6
273.24228	4.0
280.36661	0.4
315.19653	0.6
317.26819	2.7
335.27908	1.1
357.92654	0.6
379.30460	1.1
405.32159	5.8
423.33124	100.0
424.33279	3.8
435.23001	0.6
539.28003	0.5
688.35516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00339	0.8
69.24541	1.7
69.24942	3.5
73.06557	0.7
77.03911	1.0
79.05505	4.8
79.05871	0.8
83.55935	0.8
86.09682	1.0
87.04464	2.9
89.06025	20.2
91.05453	1.2
93.07022	2.0
95.04963	3.3
98.22683	1.7
103.05455	4.3
105.07021	100.0
106.07354	2.2
107.07055	0.9
115.70069	0.6
121.06489	7.6
131.07018	0.9
131.08554	2.3
133.08586	13.8
147.08083	1.1
160.23984	0.7
165.09073	3.7
169.10025	1.0
177.11195	7.2
184.07361	3.1
192.09358	0.8
209.11621	1.0
225.12758	3.9
236.18608	0.8
251.14261	2.6
269.15302	3.8
271.15457	1.0
297.40347	0.7
313.17935	1.4
326.49695	0.8
329.19043	2.4
347.98999	0.7
359.20609	10.5
366.29779	0.8
373.21494	2.3
375.21475	0.8
463.26865	18.8
527.16541	0.9
567.32697	2.7
660.13611	0.9
689.21313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00339	0.8
69.24541	1.7
69.24942	3.5
73.06557	0.7
77.03911	1.0
79.05505	4.8
79.05871	0.8
83.55935	0.8
86.09682	1.0
87.04464	2.9
89.06025	20.2
91.05453	1.2
93.07022	2.0
95.04963	3.3
98.22683	1.7
103.05455	4.3
105.07021	100.0
106.07354	2.2
107.07055	0.9
115.70069	0.6
121.06489	7.6
131.07018	0.9
131.08554	2.3
133.08586	13.8
147.08083	1.1
160.23984	0.7
165.09073	3.7
169.10025	1.0
177.11195	7.2
184.07361	3.1
192.09358	0.8
209.11621	1.0
225.12758	3.9
236.18608	0.8
251.14261	2.6
269.15302	3.8
271.15457	1.0
297.40347	0.7
313.17935	1.4
326.49695	0.8
329.19043	2.4
347.98999	0.7
359.20609	10.5
366.29779	0.8
373.21494	2.3
375.21475	0.8
463.26865	18.8
527.16541	0.9
567.32697	2.7
660.13611	0.9
689.21313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.8
56.79634	2.3
57.03424	7.5
57.07062	7.9
59.04998	3.6
61.02907	2.8
61.76064	2.0
67.05499	87.0
69.07072	10.7
69.11909	18.1
69.63204	2.1
71.08624	4.1
79.05483	8.5
81.07051	39.8
83.08599	13.2
85.02880	2.6
85.10180	3.3
86.26433	2.7
89.06035	16.0
91.05479	6.7
93.07042	11.7
95.08598	28.4
97.06568	2.5
97.10142	4.2
105.07023	48.9
106.07368	3.1
107.08626	5.0
109.10149	63.1
119.08565	8.5
121.10131	3.2
123.11697	4.2
133.08577	9.6
133.10143	2.9
135.11720	2.6
137.09610	4.5
150.71515	2.2
169.56270	2.3
173.11722	18.7
177.11259	4.3
184.07291	3.1
228.92445	2.1
229.14319	100.0
230.14722	3.2
245.22733	2.6
251.14183	4.3
258.18652	2.4
263.23688	4.4
308.79971	2.3
337.27332	80.7
338.27640	6.0
491.37283	89.3
492.37473	5.6
509.38403	2.9
519.72314	2.9
554.52521	2.3
632.29602	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	688.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01885	0.9
55.05505	11.4
57.03439	10.1
57.07070	29.1
59.04992	4.1
60.08158	2.9
61.02913	2.4
65.03947	2.3
67.05498	84.1
69.03414	2.1
69.07058	14.2
69.14388	2.1
69.14792	5.0
69.45885	0.9
69.83246	0.9
71.04982	2.6
71.07371	2.1
71.08625	22.2
73.02921	1.9
73.06554	8.8
73.52106	1.0
79.05486	11.0
81.06565	1.7
81.07048	33.5
82.07381	1.0
82.08555	0.8
83.08611	12.7
85.02908	2.6
85.06545	3.3
85.10169	13.6
86.09692	19.2
87.04458	15.1
88.04790	1.3
89.06022	92.4
91.05460	7.2
91.07530	1.1
93.07029	8.7
95.04939	1.6
95.08596	23.5
97.02869	1.0
97.06541	1.7
97.10165	7.6
98.98466	2.6
99.08080	1.5
99.11734	1.7
103.05481	1.3
104.10739	1.5
105.07021	42.1
105.07737	2.1
106.07347	5.8
107.07069	2.2
107.08582	5.6
109.10143	64.6
110.10445	1.2
111.08089	2.8
111.11716	2.7
113.13276	2.4
117.07100	0.9
117.09135	7.4
119.08561	8.0
121.06534	1.4
121.10098	5.2
123.11723	4.6
124.99989	12.6
125.09589	1.7
126.28522	0.8
127.14849	1.0
130.08627	1.5
131.07033	3.8
131.08595	1.0
133.08591	42.5
133.10153	3.7
135.11710	1.8
137.09602	2.8
137.13243	1.2
139.01552	2.0
147.08014	0.9
147.11694	2.1
155.10611	4.5
161.11781	1.8
161.13199	1.7
169.19540	3.2
173.11731	18.6
175.09708	1.3
175.14873	1.0
177.11186	16.6
184.07326	64.8
213.22018	2.3
221.13829	2.8
225.12801	1.1
227.12654	1.6
229.14323	100.0
230.14703	3.0
245.22578	2.3
251.14389	1.4
257.24725	5.6
263.23569	4.8
265.16418	1.2
301.27322	2.7
329.18759	1.5
337.27328	66.1
338.27673	2.6
463.26288	1.2
491.37274	44.4
492.37524	1.6
533.88379	1.0
568.04285	1.1
671.49384	2.0
688.45557	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	688.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.4
57.07072	34.8
58.07404	0.5
59.04992	0.6
67.05491	1.6
69.07058	2.9
71.04975	0.4
71.08626	27.4
72.16381	0.4
73.02882	0.7
73.06548	9.4
75.67726	0.5
79.05494	1.2
80.73582	0.5
81.07068	0.6
83.08617	2.7
85.09634	0.6
85.10173	17.6
87.04455	9.7
89.06023	100.0
90.06362	0.9
91.07600	1.0
93.07053	0.7
95.04997	0.6
95.08569	0.6
97.10162	3.8
97.59302	0.4
99.11717	3.4
100.77146	0.6
103.07632	0.6
105.07031	7.9
106.07357	0.9
107.07059	2.8
109.10146	1.6
111.11713	2.6
113.13289	2.4
117.09132	10.2
127.01512	0.5
127.14841	0.7
130.08658	1.6
131.07028	3.0
133.08591	56.1
134.08946	0.9
135.10155	0.9
153.03082	0.6
161.11734	2.2
169.19539	3.1
175.09668	1.6
177.11201	21.7
179.12811	0.7
184.07347	1.4
213.22076	3.4
221.13797	4.7
224.46815	0.6
239.14914	0.7
257.24756	8.1
265.16418	1.0
267.18103	0.6
283.17505	1.9
295.15396	0.5
301.27304	5.2
306.71460	0.5
309.19180	0.6
327.20303	0.5
353.21497	0.9
452.00800	0.5
459.27881	0.5
489.95541	0.5
503.30560	1.5
583.46027	0.6
671.49304	3.8
688.39728	1.0
688.51855	2.5
704.35052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72040	0.5
67.72248	0.5
67.81326	0.5
68.79632	0.6
68.99791	1.5
69.93221	1.5
107.04955	2.3
115.05479	0.7
119.04986	0.7
121.02867	3.6
131.04921	1.8
132.04466	0.8
138.01852	2.1
145.02826	0.9
156.04390	0.6
158.06042	2.5
166.01372	1.7
168.02933	0.9
170.05986	2.8
171.04355	1.3
184.02518	0.6
184.04059	0.7
186.05473	2.4
187.03877	1.7
197.05952	14.1
198.05496	4.3
210.05536	0.8
225.05319	0.7
226.04947	2.5
227.05727	2.9
253.04930	2.1
254.04518	2.0
255.05261	1.7
256.05963	1.4
269.04489	0.6
270.04065	1.4
270.09015	0.8
272.05475	1.1
282.03955	7.0
283.04721	2.6
284.05237	0.7
298.08444	0.9
299.09225	0.9
300.04999	17.8
301.05441	1.3
315.08914	0.7
316.09680	1.3
326.08258	0.9
328.09573	0.8
330.07666	0.6
344.09036	4.3
372.08633	31.5
373.09122	1.8
386.10150	6.9
387.10953	2.0
400.08136	100.0
401.08539	6.8
402.09689	1.0
418.09186	26.2
419.09644	3.3
485.12982	0.6
527.15790	1.2
689.20898	1.2
715.39789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41687	1.0
56.89586	1.0
69.03419	2.5
69.33004	5.6
75.85813	1.1
76.60979	1.0
85.02911	3.7
92.86364	0.9
93.91882	1.0
95.04996	1.0
97.02903	2.1
98.22722	2.2
103.05465	1.2
107.99026	1.1
109.02899	1.1
127.03942	1.6
131.04942	2.7
151.03896	5.2
156.02731	1.1
163.07545	3.3
169.04897	1.0
173.22430	1.0
177.05450	1.7
181.05014	1.1
181.08685	1.8
185.01093	1.0
187.03914	1.6
193.04997	1.1
205.04985	2.4
212.09251	1.0
233.08093	3.0
241.50768	1.3
245.08023	1.1
263.88895	1.0
268.88593	1.1
271.03912	1.6
271.06458	1.1
277.08887	1.0
303.19754	2.0
329.17368	8.6
331.19211	1.9
347.18579	6.4
349.20297	2.1
365.19574	1.8
385.04575	1.0
399.13129	1.2
416.13684	1.3
419.72189	1.0
440.14557	2.9
441.15112	8.1
468.01917	1.2
509.23825	18.4
527.24866	2.8
603.20325	3.9
645.21460	33.8
646.22229	1.4
689.20471	100.0
690.20630	5.9
707.90698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20292	0.5
71.04707	0.6
71.19189	0.5
71.38747	0.5
74.89378	0.5
87.23083	0.5
109.65015	0.5
137.99292	0.5
142.35110	0.5
143.01830	1.7
155.01852	2.6
161.02940	0.9
169.03442	0.7
173.02873	2.4
185.02849	1.0
185.04277	1.1
197.02893	0.6
203.05350	3.3
215.03964	0.9
245.05075	1.6
286.18243	0.6
291.44867	0.6
305.08237	1.5
347.08960	5.6
365.10516	25.4
407.10547	7.6
437.12350	1.6
467.13486	4.5
509.14487	2.6
527.15808	100.0
528.16205	4.5
689.21045	89.9
690.21558	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	689.2106
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
57.03856	0.4
59.04017	0.4
65.91105	0.4
73.28802	0.5
95.88257	0.4
164.03915	0.4
180.04587	0.4
185.04140	1.3
203.05235	3.6
219.13300	0.5
250.75346	0.5
275.07361	0.5
305.08365	1.2
347.09476	4.3
365.10547	24.7
407.11432	1.7
437.12857	1.1
467.13708	4.4
506.05823	0.6
509.14542	3.4
527.15826	100.0
528.16321	3.8
607.91779	0.6
689.21045	91.9
690.21478	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	689.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59290	2.9
70.06583	3.0
79.01904	0.6
80.01355	1.0
85.02906	3.3
91.05480	2.1
92.99749	1.1
95.01340	1.4
97.71556	0.8
101.37780	0.7
103.05470	8.8
109.02828	1.0
112.03960	2.6
112.08721	1.5
120.00810	2.1
128.06210	3.4
129.06990	2.3
131.04927	41.6
132.05264	1.3
140.03430	15.2
140.04515	1.0
143.08566	3.7
147.08060	2.3
148.00281	12.6
151.03897	12.6
151.05034	1.5
152.03310	0.8
153.01886	0.9
153.07014	2.0
153.66850	0.7
164.03319	0.8
165.01840	0.8
166.01364	34.7
167.01738	0.8
168.02919	75.6
169.04933	1.2
169.34901	0.7
171.08049	5.5
173.68735	0.7
179.03400	1.4
180.02913	100.0
181.03265	1.5
182.58112	0.8
185.00839	1.1
187.03900	1.5
189.09102	50.2
190.09349	0.8
193.04858	0.7
196.47346	0.7
198.03990	2.2
207.06505	0.9
208.65445	0.7
212.05536	62.9
213.05786	1.2
215.03441	1.0
230.04344	1.3
230.06519	13.2
268.09140	1.0
271.05890	1.6
272.09171	56.4
273.09433	2.4
295.08148	0.9
296.07855	1.0
314.08618	1.0
359.14914	9.0
368.11227	1.0
377.15845	1.6
400.09430	1.2
400.13898	9.8
418.14481	2.0
590.20117	0.8
653.16882	0.9
689.20105	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
54.96967	0.3
55.01868	0.6
55.05513	2.9
57.03443	2.1
61.02935	2.8
65.41139	0.3
67.05494	0.5
69.03430	7.6
69.07074	1.0
69.87418	0.3
69.87734	1.0
70.60857	0.3
71.01340	0.5
71.04988	1.0
73.02917	2.0
81.03417	2.8
81.95081	0.4
83.01348	0.6
83.04987	0.9
83.08613	2.1
85.02903	12.6
87.04456	2.0
91.03981	0.5
91.05485	0.4
95.08615	2.6
97.02893	4.1
97.10158	0.9
99.04450	1.0
101.37386	0.3
103.07618	0.3
105.07000	0.4
107.08572	0.5
109.02869	1.6
109.10181	0.8
111.07972	0.4
121.10147	0.8
127.03887	1.8
135.04382	0.6
145.04944	1.6
149.05930	0.7
151.03920	1.3
159.08029	0.8
159.84999	0.3
161.06013	0.4
163.07593	0.7
165.05539	0.5
171.08051	0.6
173.06010	0.7
173.09631	1.0
177.05504	2.1
177.09109	0.7
179.03374	2.6
179.07054	1.1
181.04979	0.6
185.09560	0.8
187.07532	1.2
189.05426	0.5
189.09123	1.1
191.03444	0.5
191.07048	0.8
193.04941	2.6
193.08669	0.8
197.06047	0.4
197.09663	1.5
199.07588	1.0
199.11194	0.5
201.09134	0.9
203.06984	0.9
204.07629	0.4
205.04951	6.1
205.08530	0.8
207.06482	2.9
213.09142	1.1
215.06985	1.8
217.05183	0.4
217.08572	2.2
219.06564	1.5
219.10149	1.1
221.08090	0.4
221.18410	0.3
225.09195	1.7
227.07051	0.6
227.10681	1.0
229.08624	1.4
230.09421	0.6
231.06514	1.0
231.10071	2.3
233.08090	15.5
234.08560	0.7
235.09680	1.1
237.09146	0.6
241.08586	1.0
241.12227	0.5
243.10141	3.0
244.07616	0.5
244.10814	0.8
245.08131	4.5
245.11748	0.4
246.08965	1.1
247.09634	2.4
255.10104	0.5
257.11914	0.6
259.09671	3.7
260.10159	0.4
261.11203	1.2
265.15924	0.5
268.10919	0.7
269.11771	0.7
271.09659	0.9
281.11649	0.4
283.13318	0.4
283.16888	0.7
286.12091	0.8
287.13031	0.7
287.16513	0.9
293.15338	0.9
296.14178	0.8
301.14462	2.0
301.17688	0.5
311.16296	1.9
314.15189	1.3
319.15448	0.8
329.17456	26.0
330.17609	1.2
340.43091	0.4
347.18527	30.8
348.18900	1.6
365.19577	10.1
365.24203	0.6
443.87637	0.3
509.23828	100.0
510.24252	5.2
527.24884	22.5
528.25171	1.2
530.82263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03939	0.6
55.01861	2.2
57.03440	0.4
65.03934	2.9
67.05497	1.0
70.06589	0.9
75.04470	4.4
77.03950	1.0
78.04704	2.9
79.05499	2.2
81.03412	0.5
81.07051	0.4
85.02898	3.1
87.67368	0.3
89.03922	1.0
89.06020	1.0
91.05472	12.8
93.03396	12.9
93.07041	5.6
95.04961	7.2
95.10236	0.3
96.04481	0.8
97.06518	2.9
103.05460	7.1
105.03380	1.0
105.04509	2.3
105.07023	1.3
106.04164	30.8
107.04977	1.9
109.06505	1.3
111.04452	0.8
115.05401	0.4
117.03382	1.6
118.04152	0.4
119.04935	1.4
121.06498	31.6
122.07330	0.5
123.04412	1.4
123.08068	1.1
124.05216	0.5
125.05976	8.7
131.04933	5.1
131.05949	0.5
132.05258	0.4
133.02835	0.4
133.06494	0.7
134.03627	4.7
135.04385	1.3
137.05957	4.9
138.06749	1.5
139.07539	2.7
145.02835	1.4
148.05168	2.9
149.05966	47.0
150.06268	0.5
151.03845	0.4
151.07483	1.8
152.08246	0.5
153.05476	2.1
153.09091	14.5
161.05995	0.5
163.03897	0.6
163.07495	1.7
165.05408	0.5
165.09065	0.4
166.01350	1.0
166.06236	0.9
167.07048	1.2
168.02911	2.6
169.03241	0.4
177.05444	23.8
178.05714	0.4
180.07765	0.4
181.08585	21.6
182.08856	0.5
187.03790	0.5
191.07014	2.2
193.05046	0.4
193.08577	0.8
195.06519	0.5
200.20062	0.8
209.08067	100.0
210.08377	2.3
244.22435	0.4
270.07547	1.5
272.09174	2.0
302.87564	0.4
327.53802	0.4
339.12381	0.4
364.05301	0.4
369.13177	0.6
383.14697	0.7
387.14215	1.3
437.14081	0.4
468.12021	0.8
502.13202	0.6
569.10602	0.4
572.18097	1.2
626.06067	0.4
673.16943	0.7
690.20520	1.3
690.34229	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	690.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01878	0.9
65.03929	2.4
67.05490	0.7
68.63902	0.4
69.03418	1.7
77.42050	0.4
79.05483	0.4
81.03426	4.0
83.81615	0.4
85.02895	3.4
87.00828	0.5
90.55297	0.4
91.05481	0.8
91.17689	0.4
93.03415	2.7
94.01344	0.5
94.34009	0.4
95.04942	1.0
97.02887	3.2
97.06534	0.7
98.22591	0.6
99.04459	0.4
103.05459	0.8
105.01861	0.4
107.04954	0.6
108.02074	1.2
109.02865	2.2
111.04427	3.6
119.04945	1.6
123.04491	0.5
124.03957	0.8
125.05992	4.1
127.03912	2.6
129.07013	0.5
131.04909	2.8
136.01549	0.5
137.05988	4.9
138.06311	1.2
141.05453	1.7
141.07019	0.6
145.02821	0.4
145.04909	0.9
147.04424	6.7
147.05504	0.3
148.05154	0.5
149.05830	0.5
151.03900	100.0
151.04971	6.6
152.04202	3.4
157.06430	0.8
159.07974	0.6
161.05888	0.6
163.07524	1.9
164.07828	0.5
165.05562	0.4
167.07036	0.7
169.04948	8.8
174.06752	1.4
177.05482	0.9
179.07048	0.5
181.04982	1.5
182.05327	0.5
187.07607	0.4
189.09135	2.1
191.07036	6.5
192.07382	1.9
193.07343	0.5
201.09102	0.9
203.07028	0.4
203.10626	1.0
219.10144	7.4
219.12103	0.6
235.09589	0.5
249.05995	0.6
263.09174	0.7
295.08078	3.2
313.09164	5.8
313.12579	0.7
342.66470	0.5
355.11649	0.6
357.95987	0.4
361.02237	0.7
369.13333	0.5
387.14178	1.2
388.14740	0.6
389.14572	1.0
451.44934	0.5
461.37866	0.5
522.18549	0.5
549.94525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61747	0.1
52.03156	0.3
53.03941	0.4
55.01868	0.4
57.03424	0.5
61.02948	0.2
65.03931	2.0
67.05497	0.9
69.03426	1.6
71.04981	0.2
71.42664	0.2
77.03925	0.2
79.05499	0.1
81.02961	0.3
81.03411	3.8
85.02897	2.3
91.05475	0.4
93.03394	2.1
95.04972	0.9
97.02880	2.1
98.37664	0.1
99.04452	0.5
103.05457	0.5
105.64842	0.1
107.04940	0.3
108.02075	1.4
109.02882	1.7
109.88233	0.1
110.03642	0.4
111.04430	3.9
119.04987	0.3
119.08558	0.1
119.38714	0.1
121.06475	0.2
122.03691	0.1
123.04439	0.2
125.05981	3.8
127.03908	1.0
128.81178	0.1
129.06989	0.3
129.65982	0.2
131.04880	0.9
135.08009	0.2
136.01558	0.4
137.05971	3.3
141.05466	1.6
145.04875	0.3
147.04355	0.2
149.05957	0.2
151.03896	100.0
151.04944	6.0
151.07320	2.1
152.04240	1.8
157.06532	0.2
159.03220	0.2
161.06020	0.7
163.07512	1.2
165.06946	0.2
165.09103	0.2
167.08534	0.3
169.04947	10.2
175.07542	0.4
177.05553	0.2
177.09094	2.4
189.09117	0.6
195.08049	0.4
195.10136	0.2
211.06041	0.3
213.09209	0.2
221.06058	0.2
221.09641	0.2
221.11743	0.4
223.07562	0.2
225.09065	0.2
227.10687	0.7
231.10141	0.2
249.08955	0.2
249.11288	0.2
253.08920	0.3
253.12190	0.4
255.10117	0.5
264.30078	0.2
265.08557	0.2
267.10059	0.2
270.08887	0.2
275.93372	0.1
282.98764	0.1
283.08090	1.8
285.11267	0.4
287.12781	1.1
295.08096	4.2
297.11212	0.3
298.00229	0.1
299.12799	0.5
309.10849	0.1
311.12756	0.5
313.09152	11.1
313.14334	0.7
314.09534	0.4
331.15366	5.8
332.15781	0.2
341.13742	0.2
343.15289	1.4
349.20279	0.3
349.76639	0.2
353.13803	0.2
355.15411	0.3
393.16901	0.2
403.15399	0.2
421.16379	1.0
439.17337	0.6
481.18613	0.3
520.36908	0.2
589.20581	0.2
625.22443	0.4
655.76056	0.2
690.31317	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	690.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01860	0.5
57.03425	0.3
58.40115	0.2
65.03947	2.5
67.05496	0.9
69.03426	1.5
71.04964	0.3
76.74960	0.3
81.03417	4.3
85.02916	1.8
91.05462	1.2
93.03397	2.7
95.04966	1.5
97.02892	2.3
99.04436	0.6
103.05453	0.7
105.04514	0.4
105.07011	0.3
108.02111	1.3
109.02884	2.1
110.03639	0.6
111.04437	3.3
115.05467	0.3
117.06986	0.3
118.33389	0.3
119.04935	1.0
121.06542	0.4
122.03635	0.9
123.04462	0.5
125.05986	3.3
127.03945	1.3
129.07019	0.6
131.04951	1.4
135.08026	0.4
137.05972	7.3
141.05473	2.0
145.04854	0.5
147.43584	0.2
149.05940	0.7
151.03905	100.0
151.04964	6.4
151.07451	4.6
152.04237	2.2
153.04315	0.4
157.06526	0.8
161.05975	1.2
163.07550	2.8
167.08559	0.6
169.04951	10.4
174.06720	0.4
175.07564	1.0
175.62854	0.2
177.09111	4.7
189.09120	1.8
195.08028	1.3
195.10173	0.2
203.08649	0.3
203.10599	0.3
207.10092	0.3
219.10194	0.8
221.11723	0.6
223.07571	0.6
225.09079	0.6
227.10683	1.7
237.09103	0.3
253.08736	0.6
253.12245	0.7
255.10144	1.3
267.10184	0.5
281.11844	0.4
283.08173	1.0
285.11218	1.3
287.12787	1.8
295.08099	5.6
299.12894	0.3
311.12787	0.5
313.09152	7.1
313.14349	1.2
331.15366	7.6
343.15518	0.7
367.15024	0.3
407.90219	0.3
421.16422	0.8
666.96033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01866	6.1
55.48459	0.8
57.03442	6.8
61.02929	6.5
68.99789	2.7
69.03427	42.7
71.04995	4.6
73.02914	18.7
73.03294	1.6
75.09335	0.8
81.03416	28.1
83.04995	1.1
85.02901	100.0
87.00288	2.3
87.00826	47.9
87.04472	1.3
91.03965	1.4
95.04996	1.0
97.02892	61.1
99.04452	13.7
100.04837	0.9
103.03935	2.8
105.01864	92.2
109.02872	43.9
109.03632	1.5
111.04434	1.1
113.86647	0.8
115.03944	4.5
123.04413	1.9
127.03910	98.9
128.04289	1.2
129.01857	3.0
139.03984	1.6
145.04956	37.8
147.02876	2.8
147.04385	1.6
159.02888	13.5
169.04965	1.9
171.02882	1.1
177.05501	1.3
189.03877	4.7
189.15886	0.9
213.03938	14.3
223.06039	2.7
231.04988	47.5
232.05455	1.1
241.07080	1.6
249.06039	28.0
250.06314	1.0
253.07066	5.4
271.08197	2.8
273.06030	5.8
304.76987	1.0
309.06256	1.2
345.08224	3.4
357.08282	2.2
363.09409	3.2
375.09149	2.6
393.10242	6.4
411.11340	3.7
433.95142	1.0
533.52039	1.0
693.23187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
55.05504	1.0
61.02934	2.0
65.38123	0.9
67.05499	1.9
69.03436	2.0
69.05627	2.4
69.06052	3.1
69.07078	1.1
75.96265	0.7
79.05511	1.7
81.03423	1.6
81.07063	2.9
85.02906	12.7
91.05461	2.4
91.94454	0.7
93.07048	2.7
95.04991	1.2
95.08608	2.6
97.02885	4.7
97.06538	5.8
98.22761	1.6
105.07029	1.9
107.04984	1.5
107.08588	2.7
108.04533	1.0
109.02898	1.3
109.10177	4.5
115.05501	0.9
117.07035	2.1
119.08582	15.8
119.60402	0.8
121.06513	1.7
121.10168	1.8
123.11714	1.5
127.03908	3.8
131.08575	1.3
133.10135	3.2
135.04404	5.4
135.08070	1.3
135.11699	1.5
137.05980	1.5
141.01849	1.4
143.08540	1.9
145.04977	6.6
145.06430	1.9
147.04395	1.3
151.07558	2.5
153.05450	5.3
156.09241	0.8
157.10158	3.2
159.08080	1.2
159.11678	1.8
161.06021	1.7
163.07538	100.0
164.07892	1.8
169.10072	1.8
173.13342	1.0
174.06752	0.8
175.07565	3.0
177.09099	7.5
179.07074	1.3
179.10634	1.1
181.08601	38.8
182.08823	0.9
183.11639	1.4
185.09660	1.8
187.07530	1.2
189.09100	7.9
197.09767	0.8
197.13234	1.1
199.11201	1.4
201.16325	0.9
203.10658	17.5
203.12430	1.1
207.10152	3.7
211.11160	1.6
213.09122	2.0
215.10654	6.2
217.12291	2.7
221.11726	35.5
222.11951	1.7
227.10751	1.1
229.12262	2.2
233.11737	3.6
235.13324	1.0
243.13762	1.1
251.14542	0.9
253.19499	1.1
255.13913	0.9
257.15366	0.8
269.15396	5.7
270.16092	2.3
281.18976	1.7
285.15320	1.1
285.18481	21.5
287.16403	3.5
297.14923	1.1
299.20154	5.1
303.19525	48.2
304.19788	1.7
311.69583	0.8
313.17969	7.6
315.15759	1.3
317.21121	8.8
331.19037	36.2
332.19440	1.6
333.16980	2.1
349.20102	57.0
350.20367	1.8
493.24289	2.1
529.46783	0.9
698.37640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01869	2.5
55.05502	6.9
55.99519	0.6
57.03434	4.7
60.13375	0.6
61.02917	1.6
65.03954	0.9
67.05497	14.2
69.03433	2.1
69.07047	5.4
69.68135	2.7
71.04980	2.4
73.02903	2.1
79.05485	21.3
81.03406	3.9
81.07049	19.5
83.04981	6.1
83.08600	8.2
85.02895	2.4
85.06545	1.8
87.04453	2.5
89.06037	2.9
90.09874	0.7
91.05470	17.3
93.07030	24.8
95.04955	19.3
95.05525	1.2
95.08593	23.4
97.02895	3.5
97.06497	3.7
97.10188	1.3
98.22626	0.9
99.04439	3.4
99.08095	0.7
103.05427	0.9
105.07013	17.9
107.04933	7.4
107.08583	19.1
109.06513	4.0
109.10146	2.9
111.04436	2.6
111.08067	1.8
113.05970	1.7
117.07008	6.2
119.08575	10.9
121.06508	4.6
121.10129	10.6
123.08047	1.3
125.05980	2.3
125.09612	1.3
127.01562	1.3
129.07008	3.3
130.07791	1.0
131.08563	3.4
133.06494	1.8
133.08597	2.1
133.10115	8.8
135.08069	5.4
135.11676	33.0
139.07532	1.0
145.10107	19.2
145.11218	1.2
146.10583	0.8
147.07974	0.8
147.11664	5.3
149.09639	2.1
151.11198	4.1
153.03128	1.3
157.10083	4.4
163.11157	37.6
164.11589	1.9
165.12808	2.6
166.78304	0.7
173.09555	1.1
175.11192	3.9
181.12212	8.3
193.12221	9.6
197.05833	0.9
203.65825	0.7
209.09930	0.8
209.11739	1.6
211.13223	4.2
227.12738	57.0
228.13115	1.8
267.15845	10.9
283.15359	42.3
284.15665	2.3
285.16925	40.9
286.17184	0.9
475.26846	7.8
476.27023	1.0
493.27908	100.0
494.28119	8.6
524.38281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	5.5
59.04998	8.7
65.09312	2.1
69.07090	2.3
69.38151	12.6
70.72147	1.9
81.03421	4.0
84.04488	5.2
86.28291	2.5
97.02893	6.4
98.97566	12.6
107.04941	2.4
110.97552	4.5
116.98612	7.5
117.09046	2.4
124.03934	2.8
128.98619	4.1
130.04990	5.4
138.05502	9.2
143.00139	3.7
144.28439	2.2
146.99681	3.0
147.04437	5.5
147.07623	7.5
151.03917	4.1
166.08641	4.2
167.07031	5.8
177.00752	2.4
177.05510	4.8
179.03838	6.9
189.05261	6.7
197.04903	4.5
207.06577	5.1
208.06845	3.6
219.01767	8.4
221.04813	3.3
223.04045	3.2
233.05257	2.7
237.02815	13.4
251.06505	2.9
267.15860	4.4
287.10202	2.6
311.13715	2.9
323.07892	15.6
341.09082	13.6
349.08292	8.7
365.09119	9.2
383.12149	2.9
419.10083	3.0
491.11993	7.5
529.20349	4.6
595.20801	5.1
605.15430	8.2
613.22070	15.2
631.22638	5.2
647.17194	33.9
691.15784	100.0
691.25854	27.6
692.16150	10.3
692.26697	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	692.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
53.30534	0.3
55.01883	0.7
55.05507	2.2
57.03429	0.7
57.07054	0.7
61.02908	0.5
65.03944	0.6
66.04161	0.4
67.05496	4.3
69.03440	1.9
69.07064	2.8
71.04979	0.6
71.41524	0.4
73.02929	0.6
74.83463	0.4
79.05486	8.9
81.03414	2.3
81.07049	9.3
83.04989	0.7
83.08608	1.5
85.02904	5.9
87.04496	0.4
91.03922	0.4
91.05478	5.0
93.07038	13.0
95.04959	1.5
95.08599	13.4
95.09211	0.7
97.02887	2.7
97.06516	1.2
97.10131	0.6
99.04449	0.8
105.07026	10.8
107.04937	1.0
107.08591	20.2
109.02871	0.9
109.06499	1.4
109.10152	7.7
111.04438	0.6
111.08062	1.2
117.07026	0.8
119.04951	0.8
119.08569	10.0
121.06499	1.5
121.09263	0.8
121.10141	15.0
123.04420	0.5
123.08071	0.9
123.11708	2.4
125.05988	2.9
125.09608	0.8
127.03912	1.6
129.05492	0.4
129.06972	0.6
131.08580	4.0
133.06541	0.7
133.10120	5.7
135.08018	1.2
135.11678	8.0
137.09576	0.6
137.13199	0.5
139.07535	2.6
142.07797	0.6
143.08563	2.5
145.04919	1.2
145.10123	5.6
147.04396	1.1
147.08022	0.5
147.11679	4.5
149.09586	0.6
149.13252	8.6
151.03886	0.9
151.07533	0.4
151.11182	0.4
153.09108	2.2
155.06964	0.5
155.08533	1.9
157.08566	1.8
157.10109	2.9
159.07964	0.5
159.11688	4.0
161.09601	1.1
161.13258	1.9
162.07494	0.4
163.07487	0.5
163.11128	1.0
163.14815	1.5
163.47919	0.4
165.09058	0.4
166.08617	0.5
169.10104	1.5
171.10193	1.3
171.11687	3.6
172.03836	0.4
173.09607	1.0
173.13222	2.7
175.11168	0.6
175.14836	1.6
177.09132	0.8
177.16325	1.0
179.10666	0.7
180.08641	0.9
181.10092	0.6
183.11745	0.6
185.09555	0.6
185.13293	2.2
187.11182	1.0
187.14816	1.3
189.12651	0.5
189.16356	5.6
191.10655	1.6
193.12177	0.8
195.11696	1.1
199.11139	0.8
199.14818	1.2
201.12756	0.5
201.16522	0.4
203.10643	0.8
204.06511	1.1
205.12279	1.7
205.37448	0.6
207.13864	0.5
213.12698	0.8
213.16370	0.5
217.12189	1.4
219.13864	0.7
223.13216	3.0
225.16383	1.6
227.17944	1.1
231.13852	1.5
231.21062	0.5
235.13287	0.9
241.19453	4.4
251.17863	0.7
259.20563	1.6
269.18976	3.4
287.20016	9.7
297.18536	0.6
305.21082	11.7
306.21542	0.7
315.19464	3.7
333.20569	100.0
334.20859	3.7
477.24701	1.1
495.25620	1.1
542.35077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	0.4
51.02372	0.5
53.03936	0.7
59.04996	1.8
59.83379	0.3
63.29559	0.4
65.03906	0.5
67.05476	0.4
69.25624	0.3
71.04986	0.7
71.43595	0.4
73.02917	1.8
73.06542	1.0
77.03921	0.8
78.99497	0.9
79.05486	6.7
81.07060	0.4
82.60276	0.3
87.04446	3.4
89.05474	0.4
89.06025	7.5
91.05473	12.0
93.07069	2.1
94.41111	0.3
95.04961	4.2
103.05461	7.7
103.07587	1.2
105.04522	1.4
105.07020	100.0
106.07361	3.2
107.04951	2.3
113.00005	1.9
115.05441	0.8
116.06224	0.4
117.06986	2.1
117.09126	0.6
119.04933	1.5
119.08577	5.1
121.06499	15.7
123.12965	0.3
127.01555	24.2
127.09814	0.3
128.06198	1.0
129.07031	3.2
131.07069	0.5
131.08557	9.2
132.05699	1.0
133.06477	0.5
133.08604	4.7
133.10132	1.3
135.08026	0.7
139.01537	6.3
145.06487	1.2
147.08037	38.9
148.08394	0.5
149.09608	7.2
153.03101	24.2
157.32701	0.4
165.09105	1.0
166.07782	0.7
173.09627	0.8
175.11121	0.4
177.11208	1.2
179.08585	0.7
181.08745	0.3
181.10135	1.5
183.04155	2.8
191.10707	0.4
192.09123	0.3
197.05714	12.8
197.92517	0.3
199.12514	0.4
207.08018	0.3
208.08818	0.5
209.11630	0.4
221.13623	0.6
223.11200	1.8
225.12721	18.4
227.06760	1.3
227.12828	0.6
237.12581	0.4
241.08339	3.2
249.12779	2.4
250.13197	0.5
251.14345	3.5
259.09396	1.1
262.93582	0.3
269.15359	4.1
271.09372	1.6
285.10971	1.4
295.16913	0.4
303.12006	0.9
311.16296	0.4
313.17810	0.6
315.11948	0.9
327.17273	0.5
329.13818	0.4
329.18872	0.6
341.19373	0.4
347.14523	0.4
357.19931	0.4
373.21561	5.3
467.20465	1.7
468.26712	0.4
571.26685	4.7
675.32806	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08166	0.1
69.03443	0.1
69.07031	0.1
69.47259	0.6
70.06602	0.1
73.02905	0.2
73.06558	0.7
76.38198	0.1
85.02911	0.2
87.04463	100.0
88.04803	0.7
89.06021	1.5
91.05486	0.2
95.08537	0.1
103.53909	0.1
111.69943	0.1
117.09111	0.4
119.08601	0.1
121.02903	0.1
124.03960	0.3
131.07030	2.9
133.08598	0.9
147.04420	0.2
151.03873	0.2
152.07021	0.1
158.29575	0.1
175.03925	0.1
175.09682	0.8
177.11229	0.3
191.49527	0.1
193.10686	0.1
207.06671	0.2
219.12257	2.8
263.14767	0.3
265.16223	0.1
286.04587	0.2
287.05136	0.2
382.84647	0.1
412.40201	0.1
504.37085	0.1
576.13538	0.1
614.21667	0.2
692.28070	0.2
692.40332	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86200	0.4
70.06599	1.7
71.25449	0.4
84.08151	1.1
86.09720	1.1
111.04240	0.9
120.08168	0.9
171.35587	0.3
175.03755	0.8
189.05212	30.3
190.05951	3.5
190.52493	0.4
257.81073	0.5
274.25272	0.5
305.06381	0.7
309.03769	0.9
351.22269	0.5
351.38727	0.4
419.33246	0.4
429.15268	4.1
430.16135	0.9
434.39230	0.6
444.17532	4.4
445.18329	32.9
446.18774	1.4
455.49307	0.5
607.23834	2.0
649.24719	22.9
650.24969	1.4
655.65131	0.5
693.23639	100.0
694.23914	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	693.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48654	0.7
55.89243	0.7
64.05672	0.9
65.27582	0.7
66.21488	0.8
69.03435	0.7
69.19444	0.7
70.37312	1.1
70.37637	0.9
85.02898	1.1
105.01905	1.2
119.01945	1.0
127.03918	0.8
137.78041	0.7
151.03975	2.9
170.86580	0.8
171.02628	1.0
171.10480	0.8
173.03085	0.9
188.67393	0.8
201.03745	1.5
214.14157	0.9
215.05405	1.1
245.06218	1.2
275.07373	7.0
287.07437	1.7
307.58978	0.8
317.08582	0.9
333.07907	13.9
335.09247	0.9
363.08972	6.0
405.10013	12.1
407.11609	0.9
445.20300	4.0
473.19818	1.5
475.21518	2.1
477.12106	1.4
479.13351	1.1
495.13254	19.4
496.13297	0.9
497.14767	1.6
517.22565	3.1
521.14697	0.9
537.14264	23.9
539.15863	3.8
561.21667	6.4
565.13855	1.2
581.13452	3.2
583.15088	1.4
607.25732	14.8
649.26758	96.9
650.27124	4.0
693.25702	100.0
694.25677	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64064	0.6
55.81207	0.6
69.97811	2.0
70.06586	1.2
73.27040	0.6
78.01762	0.6
81.07095	0.9
85.02903	0.7
86.09707	0.7
87.04497	1.3
90.07041	0.6
94.06539	0.7
98.22817	1.2
100.15099	0.7
143.56245	0.8
170.21162	0.7
275.07495	1.6
287.07559	1.1
317.08572	0.9
321.06033	0.7
333.07965	4.5
361.07434	3.4
363.09055	1.6
405.10062	3.7
407.11212	0.8
445.20554	2.2
473.20270	2.3
477.12054	1.7
495.13272	6.9
517.22546	2.5
537.14178	8.7
539.15765	1.9
561.21521	15.4
577.11316	0.9
581.13568	2.4
583.15820	1.1
607.25433	5.0
649.26758	45.1
650.27039	2.1
693.25726	100.0
694.26068	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	693.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02602	0.7
55.05492	0.8
55.51086	0.6
59.05004	1.5
60.05650	1.7
69.40865	1.2
69.41212	3.4
79.05485	1.9
81.07044	1.2
83.04978	1.8
83.08604	1.0
87.04466	1.4
89.06001	1.2
91.05491	2.1
93.07046	1.5
100.11256	1.3
105.07029	1.2
107.04698	1.2
108.05500	0.9
114.09187	1.0
119.04939	1.2
119.08591	1.1
127.00036	0.8
129.74646	0.7
133.08562	0.8
140.91069	0.8
147.04453	2.1
159.00795	0.7
165.53976	0.7
169.04765	2.4
181.04977	2.0
182.15462	0.8
186.88557	0.8
192.11311	0.9
199.06065	0.7
203.05386	0.9
207.10051	0.8
210.14833	1.5
215.52773	0.7
227.05362	1.2
243.04756	1.7
245.06366	5.6
271.04330	0.8
287.03793	2.7
289.05231	10.1
289.07907	0.9
336.49695	0.9
409.27188	3.0
411.28979	1.8
427.28174	10.9
428.28165	0.9
429.29752	8.4
445.29016	3.7
523.21698	1.0
589.33466	2.0
607.34186	4.8
613.33795	1.3
631.34308	9.4
632.35406	1.1
649.35510	29.7
650.35901	2.6
657.32776	5.0
675.33417	37.9
676.33734	3.2
693.34485	100.0
694.35028	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	693.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44183	0.6
55.05500	0.9
59.04991	0.6
60.05636	1.2
64.92414	0.5
67.05511	0.5
69.83253	0.6
74.71435	0.6
79.05473	0.8
80.01145	0.6
81.07050	1.3
83.04961	1.2
87.04478	1.7
89.05418	0.7
89.06001	1.4
91.05476	2.0
93.07047	1.3
95.04976	1.0
95.08611	0.8
100.11256	1.1
103.07555	0.7
105.07032	1.5
107.04727	2.3
108.05488	1.5
111.04427	0.7
114.09222	0.7
119.04974	0.9
127.00057	0.7
128.07100	0.8
133.08650	0.8
142.08662	0.7
145.10214	0.8
147.04410	2.9
151.07504	0.9
167.03247	0.7
169.01120	1.0
169.04735	1.6
181.04944	1.1
182.15408	1.2
192.11189	1.2
201.03813	0.8
203.05232	1.3
207.06584	0.7
210.14909	1.4
227.05342	0.9
228.05994	0.7
243.04744	1.4
245.06282	4.9
287.03781	2.4
289.05292	10.1
289.08423	0.9
290.05188	0.7
381.27905	0.7
399.28732	1.2
409.26968	3.4
411.28796	2.6
427.28146	10.3
427.33389	0.9
428.28821	1.1
429.29800	7.9
445.29288	2.9
523.21356	0.7
589.33386	2.2
607.34784	4.3
613.33630	0.8
631.34473	9.3
632.34875	0.8
649.35474	29.4
650.35907	2.5
657.32526	4.2
675.33447	32.8
676.33887	3.6
693.34479	100.0
694.34900	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	693.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79082	1.2
70.22269	1.0
70.30750	1.3
71.44417	1.2
82.44505	1.2
88.53440	1.1
111.70382	1.2
116.70078	1.2
118.28283	1.2
143.67511	1.3
163.32245	1.2
175.12491	1.2
267.69397	1.2
286.72330	1.4
361.38950	1.3
503.13379	1.3
601.00378	1.5
683.96576	1.5
693.34503	100.0
694.35419	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	694.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.1
53.03929	0.3
58.04195	0.2
65.03916	0.4
67.05494	0.8
70.55423	0.2
71.33496	0.1
73.02912	0.2
81.07032	0.4
87.04456	0.5
89.06002	0.5
91.05452	0.4
92.04998	1.0
93.05766	0.3
93.06990	0.2
94.06561	5.1
95.04979	1.1
96.04489	0.8
97.02856	0.3
105.03389	4.9
105.04507	0.4
105.07024	0.5
107.08521	0.2
110.06027	4.4
117.06976	0.2
119.08579	0.7
131.08568	0.2
133.08582	0.3
138.05489	100.0
139.05830	1.4
154.04988	0.2
155.06943	0.2
157.10106	0.3
159.11710	0.4
169.10083	0.4
170.10941	0.4
171.11617	0.2
185.13318	0.2
195.11595	0.2
197.13271	0.5
198.09167	0.6
207.11598	0.2
220.12480	0.3
235.14838	0.4
242.08150	1.7
361.04309	0.2
530.77618	0.1
572.26550	0.5
618.81244	0.1
675.57983	0.2
694.29980	25.4
695.19202	0.3
695.30109	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	694.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.05507	0.9
57.03438	0.4
65.03947	2.1
67.05494	2.9
67.26323	0.3
69.03426	1.4
69.07066	1.8
70.72310	0.4
71.04987	0.4
77.65553	0.2
78.04737	0.3
79.05501	1.8
81.03410	2.1
81.07051	3.7
82.04169	0.8
83.04977	0.8
83.08624	0.8
85.02906	2.7
89.06029	0.4
91.05480	4.3
93.03405	0.5
93.07033	3.0
95.04964	1.7
95.08597	5.0
97.02869	1.0
97.06511	1.1
99.04482	0.5
104.76495	0.3
105.07018	4.5
107.04919	0.4
107.08591	3.3
108.02119	0.3
109.02872	1.0
109.06508	0.9
109.10155	2.7
110.03667	0.6
111.04427	2.0
115.05416	0.6
117.07005	1.2
119.04897	0.5
119.08574	36.5
119.87962	0.2
120.08869	0.5
121.06485	0.8
121.10106	2.1
123.04413	1.3
123.08072	1.2
123.11702	1.8
125.02413	0.3
125.05981	0.9
127.03908	0.7
129.06975	0.6
131.08527	1.6
133.10132	5.8
135.08014	0.4
135.11713	0.6
137.06000	0.7
137.09641	1.4
138.03142	0.5
139.07539	0.6
140.04668	4.2
141.05043	0.3
142.02585	0.4
142.07784	0.4
143.08560	1.8
144.09334	0.6
145.02827	0.5
145.10118	2.9
147.04408	1.7
147.08043	0.7
147.11688	2.6
149.09602	0.3
149.11919	0.3
149.13240	0.4
151.07521	0.6
151.11188	1.0
153.05424	1.1
153.06667	0.3
155.07016	2.7
155.08347	0.7
156.09267	0.7
157.10117	2.8
159.11694	5.3
161.09648	0.7
161.13237	0.7
165.09129	0.7
167.08650	0.4
168.09178	0.4
169.10089	1.9
171.06508	3.1
171.11659	1.6
173.06058	0.3
173.08125	0.3
173.09579	0.5
173.13208	1.9
177.05516	0.8
177.09140	0.4
179.10608	0.3
181.04944	100.0
182.05251	1.9
182.10931	0.6
183.11684	2.3
185.09616	0.8
185.13220	1.6
187.11142	0.9
187.14801	0.7
189.12749	0.8
189.16353	0.8
191.10680	0.3
195.11626	0.4
197.13210	2.8
199.04285	0.5
199.06017	7.4
199.11119	0.8
199.14807	1.0
201.12790	0.5
201.16444	0.6
203.10692	0.6
205.12228	0.5
207.11650	0.7
211.11209	0.9
211.14822	1.0
213.12781	0.4
213.16457	0.5
215.10722	0.6
215.14082	0.4
217.12234	0.9
221.13231	0.7
225.12650	0.5
229.12250	0.9
231.13782	0.3
237.16292	0.8
239.14279	1.1
239.17920	1.4
243.13821	0.9
253.19527	1.6
257.15228	0.6
257.18954	0.5
263.17896	1.2
275.19998	0.4
281.19028	3.3
287.05426	0.5
299.20026	8.3
317.21082	12.8
318.21323	0.6
325.09183	2.9
343.10217	18.8
344.10745	0.5
349.40378	0.3
609.21210	0.4
651.23676	0.8
695.23090	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	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.29621	1.4
55.05507	11.2
57.03438	6.0
57.07065	3.7
61.02925	24.3
63.91073	1.2
65.03943	2.0
67.05504	68.8
69.03429	4.2
69.07070	11.8
69.24028	2.9
69.24432	4.2
71.04999	2.5
71.23054	1.2
73.02917	9.8
79.05489	39.3
81.07056	79.9
82.07397	1.5
83.04978	1.7
83.08628	6.4
85.02902	29.8
85.06551	3.3
91.03957	25.9
91.05473	23.9
93.07043	48.4
95.04977	3.3
95.08604	61.0
97.02887	10.9
97.06507	4.2
97.10162	3.4
99.04433	1.4
99.08064	2.6
103.05429	1.8
105.04546	1.5
105.07041	17.3
106.66008	1.3
107.08589	33.0
107.09264	2.5
109.02859	2.1
109.06494	1.8
109.10152	33.9
109.36272	1.7
110.10406	1.4
111.08054	1.6
113.09651	2.4
115.03899	1.6
115.05256	1.4
117.07013	9.2
119.08577	14.9
121.10151	34.3
123.08076	1.6
123.11707	16.4
127.03896	9.7
131.04964	1.6
131.08553	17.8
133.10117	15.6
135.11687	25.8
137.09636	1.7
137.13220	8.4
139.11174	1.8
143.65340	1.5
145.04944	12.6
145.10129	14.1
147.11696	12.0
149.13252	20.6
151.11136	1.5
151.14815	2.0
159.11682	16.0
161.13274	11.6
163.06021	20.8
163.14806	19.7
165.12794	2.5
173.13266	16.1
175.14842	3.3
177.16339	6.7
179.14302	3.7
184.07346	3.6
187.14772	10.8
191.14359	2.4
201.16356	3.0
205.15829	1.5
215.17949	2.0
219.17601	1.5
233.22668	3.6
243.21097	36.0
244.21378	1.4
261.22128	100.0
262.22629	3.6
263.23517	2.1
279.23129	7.5
308.43875	1.3
335.25790	34.2
353.26843	54.3
497.31110	4.6
573.29077	1.4
695.16180	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	694.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.5
57.03425	5.2
57.07071	4.3
61.02928	21.6
61.86616	1.6
64.85921	1.3
65.03952	2.1
67.05501	57.5
68.12109	1.3
69.03412	3.7
69.07065	11.8
70.06584	2.2
71.04985	3.1
73.02919	7.5
75.04504	1.5
79.05492	36.4
81.03397	1.7
81.07053	55.5
83.08618	7.3
85.02897	31.2
85.06517	2.1
91.03955	24.3
91.05459	17.9
93.07038	49.5
95.04964	3.5
95.08604	45.6
95.09217	2.2
96.04501	1.7
97.02895	14.6
97.06495	2.5
97.10154	2.0
99.08090	3.7
101.48714	1.3
105.07023	13.7
107.08574	32.8
107.09258	2.4
109.10161	29.2
111.08050	1.8
115.03914	2.1
117.07011	7.9
119.08578	13.5
121.10142	33.8
123.11694	18.0
127.03891	9.1
131.04916	2.4
131.08560	19.6
133.10110	13.3
135.11700	22.3
137.09615	1.8
137.13235	4.2
139.11195	2.0
145.04932	10.3
145.10133	13.0
147.11674	11.4
149.13248	18.6
151.11124	2.1
151.14844	2.1
159.11708	13.4
161.13281	9.9
163.06024	18.0
163.14795	15.1
165.12674	3.7
173.13268	13.4
175.14885	1.7
177.16400	6.0
179.14362	3.2
184.07312	2.2
187.14854	6.4
191.14301	1.5
201.16466	2.2
205.15955	2.3
215.17949	2.3
233.22670	2.7
243.21056	33.3
261.22128	100.0
262.22421	3.8
279.23053	3.3
335.25867	19.3
353.26843	46.2
540.74408	1.8
674.39716	1.9
693.53583	1.9
695.16656	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	694.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22830	0.2
69.30592	0.8
73.02905	0.6
73.06561	1.2
75.09313	0.2
86.20742	0.2
87.04462	100.0
88.04787	1.0
89.06023	24.5
90.06342	0.3
91.70621	0.2
98.23506	0.2
99.90904	0.2
107.07055	0.3
111.60763	0.1
113.05987	0.2
117.09122	1.0
122.96648	0.2
131.07022	3.7
133.08592	15.4
134.08913	0.2
161.11685	0.4
175.09616	1.4
177.11197	4.8
219.12260	3.9
221.13840	0.9
223.15370	0.2
239.14920	0.2
263.14786	0.7
265.16287	0.2
268.81131	0.2
283.17450	0.2
285.22668	0.2
300.13531	0.2
336.47220	0.2
392.12518	0.2
651.27252	0.3
677.38232	0.7
694.41309	0.7
695.26056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93787	4.2
69.15103	29.8
79.96333	4.8
124.99981	5.4
131.04951	11.2
145.27034	4.8
178.01668	4.3
184.07332	16.2
207.00662	5.8
278.55411	5.1
332.51883	4.7
406.06894	7.1
424.02875	4.7
424.07901	31.9
464.68192	5.7
591.09827	6.6
677.16479	5.7
678.13635	6.4
695.16248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03430	1.7
67.05476	2.0
69.77210	4.9
71.96832	1.5
98.23421	3.2
167.89537	1.4
230.76445	1.5
295.89703	1.8
424.07739	1.9
591.10162	2.0
607.41895	2.2
695.16241	100.0
696.16364	11.4
715.63794	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	695.1812
Annotation	Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)
Peak:m/z	Relative Intensity
68.99754	0.3
69.64635	0.1
70.55595	0.2
72.84472	0.1
81.03361	0.1
117.29868	0.1
121.02854	0.2
137.02312	1.6
141.06920	0.1
142.82466	0.1
143.04948	0.1
149.02290	0.3
157.06425	0.2
161.05925	0.3
165.01756	0.2
171.04372	0.1
175.03812	0.3
185.05923	0.4
187.69170	0.1
189.05421	0.2
203.07057	0.1
213.05431	1.6
216.04210	0.3
231.06479	0.7
241.04979	0.7
242.05600	0.2
259.05997	0.2
269.04382	0.4
275.06781	0.1
287.05469	100.0
288.05820	3.3
491.11804	17.5
492.12195	1.1
579.41803	0.1
695.18085	1.8
696.18549	0.1
724.40894	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	695.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
57.03428	0.3
65.03930	0.5
67.05505	1.1
69.03408	0.3
70.50233	0.4
73.02905	0.6
73.77193	0.2
78.03447	1.3
79.05479	0.8
80.41730	0.2
81.03414	1.0
81.07045	0.6
83.08606	0.2
85.02905	0.3
86.09695	0.2
87.04465	0.7
89.06018	1.4
91.05468	0.7
92.04995	0.9
93.05766	0.4
93.07037	1.0
94.06560	5.5
95.04972	0.5
96.04489	1.3
97.02868	0.5
105.03389	0.3
105.07018	2.5
106.02902	1.7
107.08582	0.5
109.06492	0.2
109.10154	0.3
110.06033	4.6
117.07021	0.2
119.08557	0.9
119.59636	0.2
121.10092	0.2
122.93408	0.2
124.03958	0.6
131.08560	0.3
133.08592	0.8
133.10097	0.3
135.11693	0.4
138.05489	100.0
139.00327	0.2
139.01534	0.3
139.05855	1.8
152.05228	0.2
153.03159	0.2
155.08499	0.2
156.09337	0.3
157.10054	0.3
159.07999	0.3
169.10092	0.2
175.11302	0.2
177.11208	0.4
181.12080	0.3
235.14732	0.4
243.07559	1.7
255.15807	0.8
256.16202	0.3
267.15839	0.4
309.72815	0.2
326.48590	0.2
353.06293	0.5
439.27347	0.3
447.27188	0.8
448.27808	0.9
465.28748	0.2
482.58521	0.2
518.42389	0.2
573.26086	0.7
695.29633	24.8
696.30164	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01867	0.7
55.05497	0.7
57.03427	1.3
60.31120	0.4
61.02921	2.9
67.05495	2.3
69.03429	1.8
69.07052	0.9
71.04987	0.7
71.76240	0.4
73.02911	2.2
79.05484	3.0
80.94706	0.4
81.03407	2.1
81.07046	2.4
82.38199	0.4
83.04977	0.9
83.08614	0.9
85.02892	3.4
87.04457	0.6
91.03946	1.8
91.05481	2.2
93.07037	2.9
94.06565	1.1
95.04955	3.2
95.08598	1.7
97.02872	3.1
97.06550	0.6
99.04469	1.0
101.02386	1.0
105.07014	2.3
105.96278	0.3
107.04955	0.5
107.08585	2.6
109.02893	0.8
109.06492	0.7
109.10143	0.4
110.06025	0.6
111.04448	0.6
117.07034	0.8
119.08568	1.8
121.06476	0.4
121.10155	1.1
123.07986	0.5
124.03956	0.5
125.09605	0.4
125.74364	0.4
127.03848	0.8
129.07002	0.8
131.08594	0.5
133.10153	1.6
135.08037	0.8
135.11697	2.3
138.05489	22.1
144.95009	0.3
145.10168	1.1
147.11681	0.8
151.11211	0.8
157.10126	0.4
163.11179	2.4
165.12717	0.8
175.11134	0.5
181.12219	0.7
193.12289	0.5
211.13445	0.6
227.12790	2.7
230.86281	0.4
243.08324	2.3
247.15274	0.4
249.10930	5.1
251.12550	2.2
276.37747	0.4
305.13425	1.8
307.15338	1.1
321.12088	0.5
321.48041	0.4
339.13345	0.7
379.12509	4.0
380.13354	6.4
467.18860	8.8
469.20386	9.9
692.97107	0.4
695.32410	100.0
696.32898	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	695.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01867	0.7
55.05497	0.7
57.03427	1.3
60.31120	0.4
61.02921	2.9
67.05495	2.3
69.03429	1.8
69.07052	0.9
71.04987	0.7
71.76240	0.4
73.02911	2.2
79.05484	3.0
80.94706	0.4
81.03407	2.1
81.07046	2.4
82.38199	0.4
83.04977	0.9
83.08614	0.9
85.02892	3.4
87.04457	0.6
91.03946	1.8
91.05481	2.2
93.07037	2.9
94.06565	1.1
95.04955	3.2
95.08598	1.7
97.02872	3.1
97.06550	0.6
99.04469	1.0
101.02386	1.0
105.07014	2.3
105.96278	0.3
107.04955	0.5
107.08585	2.6
109.02893	0.8
109.06492	0.7
109.10143	0.4
110.06025	0.6
111.04448	0.6
117.07034	0.8
119.08568	1.8
121.06476	0.4
121.10155	1.1
123.07986	0.5
124.03956	0.5
125.09605	0.4
125.74364	0.4
127.03848	0.8
129.07002	0.8
131.08594	0.5
133.10153	1.6
135.08037	0.8
135.11697	2.3
138.05489	22.1
144.95009	0.3
145.10168	1.1
147.11681	0.8
151.11211	0.8
157.10126	0.4
163.11179	2.4
165.12717	0.8
175.11134	0.5
181.12219	0.7
193.12289	0.5
211.13445	0.6
227.12790	2.7
230.86281	0.4
243.08324	2.3
247.15274	0.4
249.10930	5.1
251.12550	2.2
276.37747	0.4
305.13425	1.8
307.15338	1.1
321.12088	0.5
321.48041	0.4
339.13345	0.7
379.12509	4.0
380.13354	6.4
467.18860	8.8
469.20386	9.9
692.97107	0.4
695.32410	100.0
696.32898	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	695.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96488	8.6
56.96796	1.2
63.57289	0.3
68.05770	0.3
70.24458	0.3
71.41759	0.3
71.95193	0.4
72.95982	0.4
79.05408	1.0
80.15126	0.2
81.06967	1.9
95.63617	0.3
97.02835	0.5
97.96717	0.9
98.97518	0.6
110.97491	1.2
115.97740	0.3
116.98511	0.3
117.03278	0.3
128.98602	1.9
131.00047	0.3
133.98813	0.3
137.02666	0.5
137.05922	0.3
141.02156	0.6
143.00098	0.3
145.02841	1.5
146.99547	0.8
149.05832	0.2
152.97566	0.3
153.02167	0.5
155.03671	0.3
161.01114	0.3
162.46288	0.3
167.03647	0.3
169.05344	0.4
171.03162	1.1
173.04829	0.5
177.05469	3.5
181.05237	0.5
185.04735	1.3
187.06361	0.6
189.04231	0.7
190.05132	0.3
195.06816	0.9
197.04800	0.5
199.06424	2.2
203.05884	1.4
205.07393	1.0
207.06862	0.3
209.08473	0.3
211.06306	1.0
213.04488	0.3
213.07967	8.2
215.05846	0.5
217.07457	2.8
219.03273	0.4
221.08417	0.9
223.02661	0.5
223.06442	0.5
223.08263	0.7
223.10207	0.6
225.07947	2.9
226.04922	0.3
227.05873	0.6
227.09503	0.4
229.07434	3.4
231.06888	0.6
231.09019	7.4
233.08459	0.4
235.06320	0.4
237.04251	0.6
237.07845	1.6
239.09529	2.9
241.11095	4.1
242.08188	0.9
243.06940	0.3
243.09036	1.8
244.09599	0.4
247.08528	2.1
249.07776	0.4
251.09531	5.3
253.10989	1.1
255.08994	7.3
257.10645	2.5
259.12131	3.5
260.09143	0.4
261.07751	0.5
261.10150	0.7
262.08615	0.3
267.08829	0.7
269.10580	28.0
270.10944	0.9
271.12061	0.6
273.10019	3.5
279.09027	2.3
280.09741	1.6
287.11636	11.3
288.11981	0.4
292.12125	1.1
297.10077	2.6
298.10770	1.1
303.16367	0.4
307.15726	0.5
313.14651	0.7
315.11172	0.9
316.11929	0.7
331.15771	9.3
332.16162	0.4
337.16971	0.4
349.16830	16.5
350.17215	0.4
367.17896	100.0
368.18210	3.2
372.18338	0.5
385.18942	16.7
386.19421	0.5
408.20572	2.6
439.57285	0.3
677.39301	0.5
695.21344	0.7
695.40503	11.1
696.40503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	0.9
71.44218	0.9
72.80807	0.7
103.05460	1.1
104.10737	1.3
110.80581	1.0
116.10829	1.1
117.05744	1.8
119.18566	0.8
130.06572	1.4
131.04913	2.2
140.03435	1.4
141.05708	1.9
144.04422	3.4
154.06541	2.6
157.05212	1.3
166.06496	1.2
168.04405	1.9
170.06015	0.8
171.04364	1.4
178.01344	24.3
179.06046	2.3
181.07643	5.3
182.05954	0.9
190.01137	1.0
191.67163	0.8
193.07622	8.2
194.08354	1.7
205.07564	1.4
207.05585	5.8
209.07080	5.7
211.35260	0.8
221.07071	15.1
222.05515	1.1
222.07704	1.5
231.05493	1.4
233.07115	2.3
235.05026	3.0
237.06421	1.2
249.04265	1.1
249.06596	9.6
250.07201	3.7
253.06042	1.2
257.05582	3.2
261.06509	1.3
265.06177	0.9
277.06049	9.3
278.06815	5.5
280.06027	1.4
282.07501	1.5
286.07086	0.8
287.04489	1.1
293.05606	4.3
305.05545	31.1
305.09103	1.6
306.06268	7.6
323.06592	62.7
324.06897	4.3
379.10532	1.5
381.12170	1.4
407.10202	8.4
408.11041	5.0
409.11804	100.0
410.12439	10.8
425.06271	1.4
425.11215	7.2
426.12180	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	696.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33516	0.6
68.99786	0.8
71.43044	0.7
86.09692	1.4
92.00728	0.6
103.05479	3.4
104.10748	1.2
117.05754	1.6
119.04903	0.7
130.06523	1.6
131.04936	4.8
138.01837	1.2
141.05734	3.0
143.06107	0.8
144.04477	2.7
147.04405	2.9
154.06526	2.1
155.06026	1.5
155.13110	0.8
157.05254	1.5
157.80992	0.7
166.01390	1.1
166.06535	1.0
167.06015	1.0
168.04488	1.6
168.06856	0.7
178.01353	17.9
179.06062	3.8
181.07634	4.9
184.07364	4.0
185.07524	1.2
193.07568	10.8
194.08368	2.6
195.05409	1.0
196.02504	0.7
205.07628	2.0
206.06009	0.8
207.05511	6.4
208.02428	0.8
208.06387	0.7
209.07104	7.7
212.07079	0.8
221.07091	16.6
221.68530	0.9
222.05774	0.8
222.07864	2.2
226.07436	2.1
233.07114	3.1
235.05031	3.1
237.06581	1.9
239.04453	0.9
249.06598	11.4
250.07326	4.4
253.06104	1.6
257.05533	4.0
261.06720	1.9
265.06042	0.7
277.06076	10.0
278.06824	9.4
278.75366	0.7
282.07642	2.7
287.04581	0.9
293.05594	6.3
295.07101	1.1
298.06967	1.5
305.05539	42.0
306.06281	13.0
307.06702	0.8
323.06598	87.2
324.07083	6.4
383.10257	1.4
397.12173	0.8
409.11765	11.2
410.12463	7.5
425.11307	100.0
426.11893	13.4
469.73853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99777	1.4
69.78786	2.5
71.59508	0.6
91.05468	0.9
103.05446	1.5
117.05750	1.8
119.04941	0.8
130.06528	2.0
131.04926	2.2
134.96896	0.6
138.01855	1.5
140.05014	0.8
141.05717	3.8
144.04420	4.2
147.04401	2.5
154.06534	1.9
155.06020	1.1
157.05255	1.5
166.01468	1.5
166.06593	0.7
168.04475	1.9
178.01346	18.4
178.06512	0.8
179.05949	3.4
180.06915	0.8
181.06247	0.8
181.07764	4.2
185.07095	0.8
193.07591	9.1
194.08380	2.0
195.05420	1.1
196.02464	0.8
203.05994	0.9
205.07558	1.8
207.05515	4.0
208.02483	1.7
208.06319	1.1
209.07100	6.4
210.05612	1.1
217.02591	0.7
221.07066	12.9
222.05598	1.7
222.07802	1.3
226.07391	2.1
233.07185	2.2
235.05032	2.4
237.06625	1.6
239.04510	1.0
249.06602	13.0
250.07321	4.8
253.06061	1.8
257.05573	2.7
261.06714	1.3
265.05942	1.0
276.05420	0.9
277.06076	9.6
278.06805	8.2
281.05722	0.8
282.07480	2.1
287.04462	1.6
291.07797	0.8
293.05557	7.7
295.07123	1.8
298.07022	1.9
305.05548	35.6
306.06265	10.0
319.07095	0.9
323.06589	74.7
324.07077	4.9
367.10693	1.0
379.10815	2.7
381.12350	1.4
407.10287	10.6
408.10699	1.4
409.11801	100.0
410.12256	13.7
411.12817	1.0
425.11282	15.5
426.12006	5.3
579.13391	0.9
597.48724	0.9
696.17285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
57.03434	0.4
58.57010	0.3
59.60527	0.3
59.66875	0.3
63.02372	0.5
65.03937	4.1
67.05504	2.5
69.03421	1.8
69.22907	1.5
69.23323	0.7
79.05507	0.5
81.03398	0.8
81.07049	0.7
83.04971	1.3
85.02898	1.4
87.00821	0.6
87.04453	0.5
89.03900	4.3
89.06027	1.3
91.05480	0.8
93.03388	4.9
93.07073	0.4
94.06551	0.5
95.04977	0.6
97.02885	68.0
97.06505	1.0
98.03222	0.8
98.22678	0.8
99.04476	0.4
103.05418	0.3
105.07030	0.9
107.04960	0.4
109.02871	0.7
110.03619	0.4
110.06000	0.3
111.04424	1.4
115.05437	0.6
117.03366	14.0
117.04198	0.7
118.25748	0.3
121.02851	2.5
124.05223	0.7
125.02316	0.6
125.05986	1.1
127.03912	1.1
128.06226	0.5
129.05473	0.8
129.06982	4.1
133.08597	1.0
134.03638	0.9
135.04445	0.6
137.05984	0.6
138.05490	7.2
139.03860	0.6
139.05479	0.3
141.06950	1.2
145.02837	41.9
146.03163	0.8
147.04369	0.6
149.02335	7.2
149.05957	5.1
151.03900	2.2
152.05685	0.8
155.06104	0.4
156.05704	0.4
157.06480	5.5
163.03905	0.5
167.03391	38.8
167.04779	2.0
168.03699	0.5
169.06454	2.4
173.06062	0.4
177.05455	100.0
178.05806	1.7
182.03668	0.4
185.05928	2.1
186.05515	0.9
187.07527	0.9
188.08319	0.9
189.05487	1.1
189.09102	6.4
195.04413	0.8
199.07521	5.1
201.09186	0.5
207.06601	1.6
213.05400	1.0
215.07047	0.8
217.08577	5.6
219.06966	0.4
227.07042	4.6
229.08688	0.4
245.08063	9.8
246.08475	0.4
263.09131	0.3
273.07504	2.6
286.04263	0.4
291.08606	31.8
292.08798	0.4
309.09644	4.8
325.09015	0.7
328.09079	0.4
425.10736	0.4
557.14996	5.1
696.28497	1.0
697.33795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
54.97470	0.6
55.01861	2.4
57.03423	1.4
61.02913	1.3
62.17380	0.6
68.99763	0.9
69.03425	6.4
69.36046	3.4
70.06564	0.8
72.96252	0.6
73.02896	0.9
78.04723	0.7
79.05473	3.2
79.88895	0.7
81.03411	7.2
81.07050	0.9
85.02899	12.9
86.81814	0.7
87.00822	4.9
87.04462	0.8
89.06023	1.6
91.05479	2.1
93.07047	1.1
94.15656	0.7
95.04925	1.3
97.02885	5.3
99.04436	3.0
103.05454	4.4
105.01868	3.0
105.04575	0.7
105.07018	2.6
106.04134	0.9
107.04945	8.3
108.04453	2.6
109.02878	5.7
115.05466	2.0
117.01839	1.0
117.07032	1.2
118.04169	3.7
119.04979	0.9
123.04429	2.0
124.03970	1.1
124.05214	1.7
126.05452	0.9
127.03912	10.3
128.06175	1.3
129.01802	0.7
130.04124	1.7
131.04912	13.8
133.06473	2.0
137.05919	1.3
145.02853	1.5
145.04950	3.2
145.06461	0.6
147.04401	1.3
148.05162	1.9
149.06062	0.8
153.05621	0.8
155.04900	0.8
156.05685	1.3
157.06470	0.8
159.02855	3.9
159.04176	0.7
159.08009	1.4
161.05946	3.6
162.06810	1.3
163.07529	1.5
165.06987	0.8
167.07025	34.6
168.05814	1.1
169.06474	0.7
171.08026	0.9
173.05962	1.5
175.07529	1.5
176.04691	4.1
177.05447	1.6
179.06973	0.7
179.08490	1.1
184.05150	2.2
187.07565	1.8
189.06956	1.2
190.07761	4.0
191.07018	44.2
191.08415	1.8
192.07443	1.2
193.08554	0.8
195.08124	1.0
199.07536	14.3
202.07771	1.6
203.08488	3.0
204.09404	0.8
205.10135	1.9
206.07195	1.3
207.08078	2.9
208.08778	1.0
215.08665	4.5
217.08530	1.3
218.07231	7.9
219.07999	3.5
221.09601	2.1
224.08423	0.8
229.06458	2.0
230.06927	1.3
231.05023	2.4
231.08058	2.7
232.08887	3.1
233.09604	16.1
234.06671	1.5
234.10123	0.7
235.07547	4.3
236.08333	1.2
237.09134	0.8
240.57675	0.6
243.08008	2.0
244.08986	0.9
245.05960	0.8
246.06828	4.7
247.07478	3.5
248.08051	2.8
249.09079	4.6
250.09892	2.4
251.10715	1.8
252.07803	0.9
253.08595	0.8
257.05899	3.6
258.06805	1.5
259.07574	2.5
260.08316	4.6
261.09052	16.9
262.09763	1.9
263.06998	5.2
263.10568	1.1
264.07675	1.6
265.08658	1.3
265.12323	1.1
266.09213	1.2
267.10083	1.1
271.07510	1.0
273.08969	1.3
274.06247	5.2
275.07025	3.2
275.10687	1.4
276.07779	1.3
277.08606	4.3
278.09329	7.1
279.10132	4.3
280.07471	0.9
288.07803	1.8
289.08569	29.6
290.09332	9.4
291.06635	1.3
291.10040	3.3
292.07343	0.7
292.11053	1.1
293.11624	7.4
295.09680	2.1
303.10132	2.3
305.08224	1.0
306.08841	7.7
307.09592	20.0
308.10214	4.5
309.11005	1.0
311.12805	1.4
321.11191	56.8
322.11780	2.7
323.09021	1.1
339.12238	18.7
340.12778	1.0
341.13724	1.0
353.13800	100.0
354.14145	3.9
363.11398	0.8
365.13876	0.8
371.14850	36.0
372.15073	1.6
413.15930	1.3
439.56808	0.7
627.46002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
55.05498	2.6
63.58932	1.2
66.87449	1.3
67.05506	6.0
68.05007	1.9
69.03426	11.1
70.02953	8.3
71.41577	1.4
74.00657	3.3
74.02399	1.8
76.03997	6.6
78.03432	1.5
79.05492	5.3
80.05000	2.3
81.03408	9.2
81.07049	4.5
82.06580	2.8
83.04978	4.0
83.06110	2.5
84.04510	9.4
85.06565	1.2
86.00647	1.7
86.99023	1.5
87.04469	1.7
88.02204	7.5
89.06017	2.3
91.05483	5.6
93.07026	6.3
94.06562	6.2
95.04967	6.0
95.08598	3.9
96.04485	2.5
97.02900	2.1
98.00676	1.6
98.06047	1.6
99.05562	3.0
100.02202	6.5
101.00590	1.5
102.03749	2.5
103.05473	1.6
105.07008	7.2
106.02933	2.2
107.04961	3.3
107.06070	1.5
107.08609	6.2
109.06514	2.2
110.06018	6.3
111.04470	3.8
112.02189	5.7
112.07591	2.9
113.05991	2.5
114.03750	13.6
115.05457	1.7
116.01688	5.2
116.03441	1.5
117.07019	3.3
119.08568	8.5
120.07995	1.5
121.06506	3.3
121.10145	2.2
124.02169	1.3
125.07121	1.4
126.03757	2.2
128.06215	3.0
129.06691	6.0
130.04993	6.7
131.04968	1.6
131.08562	7.2
133.06505	2.8
133.10104	6.1
135.08025	1.9
137.06035	1.7
138.03761	3.7
138.05489	100.0
140.05270	4.0
141.06998	2.0
142.03200	1.8
142.07736	3.5
143.08562	8.4
145.06068	26.4
145.10109	9.5
147.04474	1.5
147.08029	4.7
147.11697	2.2
153.03148	1.5
153.06609	2.9
154.03241	1.4
154.07790	1.4
155.08490	7.3
157.10133	10.7
159.08070	5.7
159.11705	5.5
161.09660	3.7
163.11201	4.0
165.06937	1.8
167.07141	1.3
167.08543	4.5
168.09332	3.6
169.06200	2.3
169.10089	4.8
171.08069	2.0
171.11673	3.2
173.09650	6.8
175.11191	3.0
177.05434	2.7
179.08540	3.3
181.04869	2.3
181.06291	1.8
181.10152	2.7
183.08051	2.0
183.11688	9.1
185.03813	3.3
185.09607	3.5
187.11165	7.6
192.06586	3.3
193.10086	3.1
194.10829	2.3
195.11700	1.9
197.09654	1.6
199.07133	2.5
199.11140	2.8
201.07539	1.5
203.04880	2.3
203.08109	1.3
206.08109	2.2
207.11580	2.1
209.13205	3.4
210.08525	1.5
211.11182	4.0
213.08733	1.8
217.06375	6.3
220.09781	1.9
225.12881	2.0
227.14308	1.7
231.04308	8.9
237.12726	2.5
243.07877	3.6
251.14388	1.7
255.13786	5.7
257.07742	8.1
273.14816	20.9
274.10254	2.0
287.05594	2.0
361.15674	2.0
366.16840	1.7
368.16858	2.1
379.17041	3.2
386.17819	5.3
404.18759	4.5
417.45493	1.4
471.19327	14.6
479.20178	2.5
489.20468	56.4
490.20923	3.0
497.20975	8.6
507.21082	2.3
515.21960	5.5
525.20483	10.7
543.21698	8.5
556.23981	2.2
561.22577	8.8
574.25677	8.6
582.22247	4.3
600.23688	28.3
601.23914	2.3
618.24707	81.7
619.24768	4.4
636.26080	9.4
686.03210	1.5
696.28961	25.7
697.29559	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	696.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
55.05503	4.0
56.05023	4.1
58.99587	2.5
59.04999	3.0
64.71267	1.6
65.03926	1.5
67.05497	6.5
68.05013	2.1
69.03438	13.9
69.07066	2.4
70.02959	10.1
70.06592	12.0
71.42941	1.4
74.00656	4.8
74.02447	3.2
76.02257	1.9
76.03990	8.1
79.05494	7.5
80.05009	2.8
80.22059	1.5
81.03417	11.1
81.07059	5.8
82.06594	2.6
83.04974	6.9
83.06085	3.7
84.04497	16.0
85.02921	1.8
86.09716	1.4
86.99070	2.1
87.02695	1.8
87.04460	3.6
88.02207	7.2
88.04016	1.9
89.06023	3.3
91.05492	10.3
93.07068	7.5
94.06588	2.4
95.04964	6.3
95.08600	5.1
96.04479	2.3
99.05571	5.1
100.02197	7.7
102.03777	3.4
103.05485	1.8
103.07599	1.8
105.07037	12.3
106.06527	2.3
107.04995	1.7
107.08595	5.5
108.08096	1.7
109.02888	1.7
109.06512	3.3
109.07627	2.6
110.06025	2.6
111.04427	3.2
112.02179	6.6
112.07643	2.5
113.01757	1.4
113.05981	4.6
114.03751	20.3
115.02131	2.2
116.01664	8.9
117.06995	4.6
118.49017	1.6
119.08582	11.8
120.08099	2.4
121.02846	2.2
121.06467	3.1
121.10144	3.4
123.08038	1.8
125.07172	1.7
126.03744	4.0
128.06190	2.2
129.06859	5.1
130.05034	8.9
130.41800	1.6
131.04970	2.0
131.08557	11.7
133.06503	3.5
133.10132	7.5
135.08067	2.9
137.05939	1.9
138.03738	2.7
139.03296	1.9
140.05284	6.8
141.06984	3.7
142.03218	2.4
142.04988	2.5
142.07793	4.7
143.08568	13.3
144.01138	1.7
144.09377	2.0
145.06075	31.7
145.09036	2.2
145.10120	14.7
147.07999	5.4
147.10326	2.0
147.11729	2.9
149.09485	1.7
153.06743	3.6
155.08528	9.7
156.09357	3.3
157.10091	12.9
159.08031	5.6
159.11717	6.3
161.09659	7.2
162.02243	2.0
163.11180	4.2
165.06992	3.5
166.07747	2.6
167.08591	5.8
168.09337	4.6
169.06084	4.3
169.10132	7.8
171.08023	2.5
171.11684	4.9
172.08936	1.9
173.09656	10.1
173.13213	2.9
175.11177	5.4
179.08484	4.4
180.09375	2.0
181.06148	2.4
181.10110	6.5
183.07942	2.4
183.11681	9.6
185.03767	4.8
185.09590	3.9
187.05554	1.8
187.11176	10.6
188.11957	1.6
192.06570	5.3
193.10088	6.2
194.08017	2.8
194.10951	3.1
195.11679	3.0
196.08807	1.9
197.09709	1.9
199.07135	2.9
199.11214	2.7
206.08134	2.6
207.11737	3.2
209.09633	1.7
209.13237	3.6
211.07260	2.6
211.11200	6.3
213.08789	5.9
217.06433	6.4
220.09724	2.5
227.14207	1.7
229.15431	4.2
229.80130	1.7
231.04349	10.4
237.12631	2.9
241.06325	3.1
243.08035	2.9
254.09981	2.0
255.13837	3.8
257.07690	12.3
258.13062	2.5
273.14856	28.9
274.10233	3.6
274.15466	1.9
338.17267	1.5
361.15787	4.8
368.16895	3.6
379.16861	3.8
386.17575	7.2
404.18677	3.8
471.19376	17.9
472.19391	2.1
473.06735	1.6
479.20148	4.2
481.21582	2.0
489.20566	67.9
490.20746	3.7
497.20932	13.5
507.21127	3.3
515.22015	4.9
525.20660	15.4
543.21674	8.7
556.24982	3.3
561.22784	15.5
564.21558	2.2
574.26038	9.9
582.22302	5.4
600.14307	2.2
600.23761	41.5
601.23755	4.0
618.24835	100.0
619.25269	8.8
636.25763	9.5
696.25708	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	696.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03937	0.3
65.03932	0.6
67.05502	0.4
69.03426	0.3
73.02869	0.3
77.11830	0.2
78.03441	0.6
85.02917	0.2
87.04479	1.4
89.06013	0.5
91.05484	0.4
92.05000	0.7
93.05776	0.3
93.07004	0.2
94.05986	0.3
94.06566	5.1
95.04974	0.3
96.04483	0.8
97.06499	0.2
98.23501	0.5
105.06989	0.3
106.02908	1.5
109.02846	0.2
110.06038	3.7
115.03935	0.2
121.02866	0.5
124.03999	0.9
126.72369	0.2
127.03936	0.2
133.08583	0.4
133.10126	0.3
138.05496	100.0
139.05829	1.8
152.05940	0.2
154.05013	0.4
162.11667	0.2
199.08638	0.4
239.07025	0.9
243.07645	2.8
244.75661	0.2
285.06354	0.5
297.07532	1.6
356.11362	0.6
391.68338	0.2
450.22824	0.2
533.19617	0.2
573.25928	6.2
574.26398	0.7
696.29095	31.0
697.29138	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	696.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.9
51.02369	1.6
53.03942	2.6
55.01864	1.0
55.05507	1.8
57.03421	0.5
59.05005	0.5
65.03935	1.1
67.05499	10.5
69.03423	2.1
69.07062	1.2
69.42341	0.6
69.42720	0.6
71.04981	2.8
73.98707	0.3
77.03907	2.7
79.05487	3.7
81.03392	0.4
81.07049	8.4
83.04967	1.7
83.08648	0.3
85.06548	0.7
87.04468	0.8
89.06021	0.7
91.05470	5.3
93.07038	4.9
95.04960	22.6
95.08584	1.9
96.05340	0.3
97.02261	0.4
97.02881	8.1
97.03484	0.6
97.06545	1.6
99.08063	0.3
103.05470	0.5
105.03384	100.0
105.04409	8.1
105.07013	9.3
105.07730	0.5
106.03725	1.2
106.07363	0.6
107.08578	1.8
109.06506	1.8
109.10129	1.1
109.10822	0.3
111.04432	2.2
111.08106	1.4
113.05988	1.8
115.05425	0.6
117.06998	2.6
119.04958	0.4
119.08569	23.9
120.08929	0.5
121.06509	1.1
121.10114	1.3
123.04428	2.0
123.08083	0.5
124.56188	0.3
128.06212	1.2
129.06956	1.3
131.08560	3.6
133.06453	0.6
133.08607	0.4
133.10114	3.5
135.08051	1.0
137.05885	1.6
139.07550	1.0
141.05447	8.0
141.07008	0.7
142.07770	2.5
143.08556	4.7
144.09299	0.6
145.10115	4.6
147.08041	1.0
147.11700	0.9
149.09601	1.2
153.06970	0.6
153.09158	0.5
154.07782	0.6
155.07028	12.6
155.08536	2.6
156.09325	2.5
157.10118	6.5
158.10909	0.9
159.06644	0.3
159.08058	0.9
159.11673	7.6
161.09608	1.1
163.07512	0.3
165.06998	1.1
167.08536	1.9
167.10677	0.3
168.09355	0.7
169.10107	6.8
170.10904	2.8
171.11670	7.8
171.13033	0.5
173.09631	1.1
173.13239	7.9
175.11189	0.4
175.14755	0.4
177.09035	0.7
178.07732	0.4
179.08534	1.7
179.10716	0.3
180.09351	0.8
181.08658	0.4
181.10043	1.6
182.10913	1.6
183.11685	4.7
184.07344	0.8
184.12546	1.9
185.08015	0.4
185.09598	2.4
185.13252	3.9
186.10268	0.6
187.11182	0.8
187.14850	0.5
192.09346	0.9
193.10117	3.5
194.10898	1.7
195.11646	4.4
196.12509	1.5
197.13237	13.2
198.13742	0.6
199.14726	1.0
201.12718	2.7
202.13463	0.5
203.14331	1.0
205.10086	1.8
206.10837	1.8
207.11664	4.7
208.12494	0.6
209.13226	5.7
210.13965	0.8
211.11256	0.9
211.14778	6.2
213.12801	0.3
215.14326	1.4
219.11708	1.7
220.12444	11.3
221.13226	3.1
222.13774	0.4
223.11180	0.8
223.14777	2.7
225.12769	1.3
225.16315	4.4
231.26811	0.3
233.13272	0.6
234.13985	2.2
235.14780	17.9
236.15338	0.8
237.12759	0.5
238.13470	0.5
239.17899	0.9
247.11156	0.5
247.70956	0.3
249.16353	4.9
251.14343	1.1
251.17912	0.3
253.12175	0.5
253.15843	5.8
255.13843	1.8
259.14859	0.5
262.13519	0.6
265.12338	0.4
267.17435	3.0
269.15335	0.9
271.16907	2.4
277.15817	3.1
280.14438	1.4
285.18384	0.7
295.16895	8.8
313.17938	36.5
314.18347	0.9
317.13831	1.0
331.18866	0.6
335.25848	0.4
417.20596	0.3
435.21674	1.4
543.55817	0.3
554.24829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05506	19.6
57.03440	6.7
57.07079	8.6
60.04476	1.5
61.02635	1.7
61.02926	25.2
65.03938	1.6
67.05502	78.0
69.03426	2.8
69.07063	25.6
69.53650	5.9
71.04974	1.8
71.08628	5.8
73.02914	7.8
75.04459	1.6
79.05497	20.8
81.07053	82.8
83.08617	19.4
85.02900	26.3
85.06541	3.1
85.10168	1.9
91.03956	23.3
91.05479	16.2
93.07042	25.4
95.04987	2.8
95.08601	72.0
96.14548	1.2
97.02881	15.4
97.06526	7.7
97.10161	13.4
98.22761	2.9
99.08074	4.2
103.05470	1.6
105.04485	1.3
105.07027	11.0
107.08591	16.4
109.06566	2.0
109.10152	37.2
111.05840	1.3
111.08079	2.7
111.11711	3.9
115.03934	2.1
119.08585	10.7
121.10142	20.6
123.11709	19.2
125.13218	1.3
127.03874	8.1
131.04918	4.5
133.10120	12.0
135.11670	13.1
137.09616	2.7
137.13231	7.6
141.12735	3.6
145.04961	11.5
145.23985	1.4
147.11681	10.5
149.13260	8.9
151.11182	1.8
151.14803	7.5
155.14294	3.9
161.13234	14.2
163.06006	20.8
163.14816	11.0
165.12704	1.5
165.16411	10.6
167.14322	1.4
175.14792	11.2
177.16406	1.9
178.01399	3.6
179.17911	6.7
189.16417	4.7
193.07600	2.5
208.02391	2.1
209.07065	1.7
210.18521	2.4
217.19489	1.7
221.07109	4.1
231.81107	1.4
245.22643	67.5
246.22903	1.8
249.06538	3.8
250.07381	2.6
253.06203	1.9
263.23688	100.0
264.24033	3.7
277.06027	4.6
278.06882	5.0
281.24762	2.8
293.05573	4.2
305.05576	14.3
306.06335	4.9
323.06592	24.4
337.27341	67.0
338.27686	3.8
355.28400	12.4
409.11795	35.7
410.12253	8.2
421.88907	1.6
425.11505	3.5
426.11862	3.6
499.32700	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52893	2.0
53.03947	1.9
55.05507	14.4
57.03429	6.5
57.07063	8.4
61.02921	26.4
61.41187	1.6
62.98341	1.8
65.03918	1.7
67.05499	62.8
68.99792	1.7
69.03420	3.3
69.07066	19.8
71.08626	5.6
73.02910	7.8
79.05486	18.7
81.07048	82.9
83.08603	16.2
85.02890	34.9
85.10201	2.9
90.66151	1.5
91.03950	25.1
91.05448	14.4
93.07042	24.6
95.04998	2.2
95.08597	72.1
97.02885	15.3
97.06535	6.0
97.10162	12.9
99.08092	3.4
103.05433	2.2
104.43526	1.7
105.06984	11.6
107.08595	16.7
109.02876	1.9
109.10140	35.9
111.08107	3.9
111.11706	3.9
119.08555	11.9
121.10136	21.4
123.11697	18.5
124.03992	2.5
125.09619	2.9
127.03882	11.9
127.11163	2.2
131.04890	2.6
133.10107	13.9
135.11656	10.6
136.92119	1.5
137.09633	2.2
137.13258	5.6
138.76752	1.7
141.12750	2.7
144.04485	2.1
145.04967	12.5
145.96524	1.5
147.11668	14.6
149.13242	10.1
151.11168	2.6
151.14813	7.6
155.14310	3.2
161.13229	15.2
163.06017	24.2
163.14844	12.6
165.16438	10.3
168.04369	1.7
175.14793	9.0
177.16397	1.8
178.01378	7.3
179.14206	1.7
179.17958	6.9
189.16394	6.0
193.07648	6.0
193.40552	1.7
207.05518	2.5
209.07190	3.0
221.07137	5.3
221.19095	1.6
235.05257	1.9
245.22609	71.4
249.06586	5.1
263.23669	100.0
264.24078	4.4
265.25208	2.0
274.55273	2.3
277.06061	4.5
278.06824	3.7
281.24847	3.5
305.05533	17.5
306.06192	6.6
323.06625	34.9
324.07062	4.6
337.27316	44.5
338.27789	2.2
342.46643	1.8
355.28391	7.0
409.11792	5.5
410.12402	3.8
425.11292	42.5
426.11682	5.8
696.17920	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05012	0.6
69.12710	2.7
73.02911	1.8
73.06549	2.3
86.65594	0.4
87.04465	16.1
89.06026	100.0
90.06387	0.5
91.07594	0.5
107.07076	2.1
113.05950	0.7
117.09132	1.7
131.07045	4.6
133.08595	59.6
134.08911	0.6
161.11630	0.4
175.09669	4.2
177.11206	21.7
179.12715	0.4
219.12332	0.9
221.13860	4.0
223.15305	0.4
239.14851	0.8
265.16422	0.8
283.17365	0.9
286.45337	0.4
287.05463	2.5
288.05756	1.4
309.19028	0.9
353.21921	0.6
445.02835	0.5
679.40845	2.4
696.44092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1609
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
51.54199	0.1
53.03934	0.1
53.38169	0.1
55.01878	0.1
57.54360	0.1
61.02928	0.1
61.82549	0.1
62.61485	0.1
68.99799	0.1
69.03423	0.4
69.24272	0.3
69.24678	0.1
70.06579	0.1
71.04977	0.1
81.03433	0.4
84.08121	0.1
85.02893	0.6
85.74121	0.1
86.09725	0.1
87.00815	0.2
91.05476	0.3
95.01333	0.3
97.02854	0.2
99.04418	0.1
100.96162	0.1
101.99514	0.1
104.40714	0.1
105.01869	0.1
109.02852	0.2
112.33131	0.1
119.04929	1.8
121.02857	0.6
122.99887	0.1
123.00779	2.0
127.03890	0.3
141.01787	0.4
145.02847	0.2
145.04947	0.1
151.00249	0.2
157.06448	0.1
159.02896	0.1
169.01317	1.4
171.04462	0.1
173.05922	0.1
178.67229	0.1
181.04968	0.1
182.56615	0.1
185.05957	0.1
199.03873	0.1
213.05434	0.2
223.03970	0.1
241.04907	0.6
245.04427	0.3
259.05930	0.1
269.04407	1.8
286.04373	0.1
287.05466	100.0
288.05801	3.1
289.05927	0.1
405.76318	0.1
449.10757	3.9
450.11099	0.2
535.10413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1609
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
50.98660	0.1
54.56929	0.1
70.66949	0.3
81.03380	0.1
104.05333	0.1
109.02853	0.1
111.00777	0.2
115.46873	0.1
120.68459	0.1
121.02887	0.1
127.03927	0.1
129.07060	0.1
137.02351	1.5
137.03394	0.2
139.05446	0.1
143.04869	0.2
143.11983	0.1
145.06526	0.1
147.04311	0.1
149.02327	0.4
157.06438	0.3
161.05952	0.2
165.01797	0.1
171.04471	0.1
175.03979	0.1
177.05510	0.1
185.05971	0.6
189.05467	0.5
203.06941	0.1
213.05455	1.4
231.06439	0.6
241.04979	0.8
242.05688	0.2
269.04416	0.3
287.05469	100.0
288.05801	3.0
329.06454	0.2
449.10757	3.4
450.10785	0.2
489.20847	0.1
491.11456	0.6
535.10797	13.8
536.11066	0.6
697.16107	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	3.0
51.02385	5.6
53.03938	2.5
55.05510	0.7
55.88742	0.6
61.02929	0.8
67.05509	4.2
69.03430	1.1
69.37267	2.4
73.02940	0.7
77.03934	2.1
78.03455	36.5
79.05484	1.6
80.05023	3.1
81.03397	1.0
81.07047	2.5
83.04980	1.2
85.02880	1.3
87.04469	1.1
89.06046	0.8
91.05480	2.3
93.07051	2.9
95.04969	17.0
96.04488	11.5
96.70319	0.6
97.02892	2.5
98.22685	1.2
105.03394	95.2
105.04410	6.4
105.07011	4.1
106.02917	100.0
107.03275	0.7
107.08601	1.6
109.06477	0.6
111.04453	1.4
117.07037	1.2
119.06096	0.8
119.08569	3.8
121.06472	0.9
121.10183	0.7
124.03952	65.7
125.04298	1.3
129.07022	1.4
131.08572	1.8
133.10190	1.6
135.08018	0.6
137.69009	0.6
142.07745	1.7
143.08577	2.7
145.10065	1.6
147.08122	1.2
149.09529	0.9
149.18817	0.6
155.07103	1.0
155.08537	1.1
156.09332	1.7
157.10129	4.2
159.08002	1.1
159.11746	0.8
165.06964	1.2
167.08597	0.7
168.09332	0.7
169.10085	1.4
171.11703	3.1
173.09654	1.1
173.13139	1.0
179.08542	1.2
180.09241	0.7
181.08644	1.0
181.10098	1.7
183.11700	2.2
184.12250	0.8
185.09668	1.6
185.13284	1.8
190.12192	0.7
192.09332	1.1
193.10143	1.9
194.10886	1.3
195.11713	1.9
197.13199	0.9
199.11214	1.3
200.12067	0.9
200.63623	0.5
201.12804	1.9
205.10127	0.8
207.11729	1.8
208.12523	1.5
209.13290	3.6
213.12747	2.0
218.10841	0.8
219.11954	0.7
223.14833	4.1
228.06734	0.7
229.06110	1.4
233.13341	1.2
234.59807	0.6
236.12022	0.8
247.14912	0.8
251.14381	3.8
265.15897	1.2
269.15155	0.8
280.13455	0.7
283.16879	1.1
293.15329	3.0
306.14960	2.8
311.16418	8.7
318.14880	1.0
356.16574	0.9
372.19705	1.3
392.18591	1.1
416.18753	1.3
423.15402	0.7
434.19620	10.8
452.21033	0.9
453.21088	1.2
525.79993	0.7
557.22888	8.9
574.24225	0.9
575.23895	2.6
625.32214	2.9
679.26471	23.6
679.38275	1.3
680.26569	1.6
697.27313	6.6
697.37256	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	698.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.5
51.02372	2.6
52.26036	0.3
53.03941	0.5
55.05502	0.6
55.43135	0.3
58.04240	0.4
65.03944	0.5
67.05506	1.6
69.03412	0.6
71.04985	0.6
73.02908	1.3
78.03445	34.2
78.16973	0.3
79.04216	0.5
79.05490	1.4
80.05014	5.1
80.87415	0.3
81.03432	0.3
81.07049	1.5
83.04990	1.0
85.02918	0.3
87.04459	3.0
89.06026	3.3
91.05459	1.5
93.07017	1.6
94.70597	0.4
95.04951	1.1
95.08607	0.6
96.04483	11.9
97.02893	1.9
97.06515	0.7
103.07453	0.3
105.07015	3.6
106.02905	100.0
107.03242	1.0
107.04980	0.4
107.08587	1.4
109.06506	0.8
109.10136	0.7
111.04428	1.2
111.08076	0.3
113.05939	0.3
117.06961	0.4
119.06055	1.0
119.08569	2.9
121.02862	1.5
121.06489	0.6
121.10113	0.4
123.08072	0.4
124.03937	84.4
125.04248	0.9
128.06218	0.4
129.06995	0.6
131.08566	1.0
133.08638	1.9
133.10080	0.9
135.08069	0.8
137.05995	0.5
138.05464	0.9
139.07492	0.3
142.07727	0.8
143.08530	1.5
145.10120	0.8
147.04370	0.5
147.08049	0.7
149.09631	0.4
155.07027	1.2
155.08498	0.5
156.09267	0.6
157.10138	3.0
159.08032	0.5
159.11670	0.9
161.09576	0.4
165.06970	0.4
167.07089	0.3
167.08511	0.8
169.10100	1.1
170.10841	0.8
171.11653	3.3
173.09706	0.6
173.13232	1.2
177.11081	0.3
179.08492	1.4
180.09265	0.5
181.08577	0.4
181.10130	1.2
182.10747	0.6
183.11674	1.6
185.09575	0.9
185.13223	1.9
186.10408	0.5
187.11151	0.6
192.06448	0.4
192.09201	0.5
193.10059	1.3
194.10861	1.2
195.11655	1.6
196.12451	0.4
197.13153	0.6
199.11124	1.3
200.11870	0.9
201.12704	1.3
207.11632	1.1
208.12411	1.5
209.13200	3.0
211.14705	0.6
213.12704	1.2
218.10889	0.7
219.11789	0.5
221.13281	0.5
223.11304	0.5
223.14818	4.7
227.14268	0.6
229.06084	2.0
233.13216	0.7
236.11948	0.7
237.12723	0.4
237.16295	0.8
239.09419	0.4
240.10013	0.4
247.14879	0.8
251.14282	2.8
265.15860	1.1
269.15250	0.8
280.13629	0.3
283.16891	1.1
293.15259	1.2
295.09531	0.8
297.07596	0.7
306.14935	3.2
311.16367	5.3
312.16711	0.4
318.14807	0.6
329.17328	0.5
356.15994	0.5
372.19510	1.2
375.95926	0.3
392.18375	0.9
405.06116	0.6
416.18228	1.2
418.06586	0.4
419.07294	0.4
423.15265	1.1
434.19641	5.6
526.70172	0.4
557.22760	8.1
558.23059	0.7
575.23804	24.2
576.23572	1.3
600.08295	0.5
601.09412	0.5
680.15033	0.6
680.25848	8.9
681.25439	0.8
697.33240	0.4
698.24384	3.4
698.35071	1.4
699.15771	1.1
699.36505	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	698.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05511	3.3
57.07072	51.2
59.05004	9.1
69.03419	1.7
69.07066	6.7
69.43265	4.6
71.04993	1.6
71.08626	87.1
72.69392	0.8
73.02911	6.5
73.06551	3.5
76.02372	0.8
77.03929	1.6
78.99512	2.8
79.05491	4.1
81.07052	1.8
83.08607	1.4
85.03669	0.9
85.10171	44.2
86.10519	1.5
87.04462	37.7
89.06025	40.5
91.05467	26.5
93.07034	11.6
95.04967	6.5
95.08622	2.3
100.26393	0.9
103.05430	6.2
103.07574	7.3
104.06292	1.6
105.04504	3.0
105.07020	43.7
106.07357	5.9
107.04939	8.5
107.07087	1.3
107.08585	6.8
109.06519	1.3
109.10172	1.6
112.99998	14.2
115.05424	1.9
115.07533	1.6
117.06967	4.2
117.09103	1.6
118.07800	6.8
119.04909	6.0
119.08586	12.4
121.06496	40.3
121.10150	3.8
123.08045	1.6
127.01555	91.0
127.14803	4.4
129.06987	1.4
131.07034	13.2
131.08548	4.5
132.09314	1.6
133.08589	24.5
133.10106	2.0
135.08034	11.9
135.11720	4.2
135.88791	0.9
136.05215	1.2
136.06171	2.6
139.01538	36.3
145.10130	2.9
147.08043	18.8
147.10066	4.6
149.09612	9.4
149.13245	1.8
150.06760	2.4
153.03101	100.0
159.10164	1.1
159.11661	1.8
161.09642	2.0
163.07579	1.2
163.11162	8.0
165.09103	12.8
165.10414	1.2
167.10634	3.4
173.09554	1.0
175.09700	7.2
175.11067	1.7
177.11238	4.7
177.12698	1.4
178.11543	0.9
183.04147	11.0
191.10620	5.4
191.14494	1.1
193.10692	1.1
193.12212	4.7
197.05722	47.8
207.13802	1.7
209.11676	4.6
211.13300	2.1
215.06816	1.3
219.12222	2.1
227.06815	6.5
235.13286	4.8
241.08356	14.3
247.20551	34.4
248.20641	0.9
253.14455	1.3
255.15869	5.7
259.09451	4.1
271.09390	6.9
273.22079	8.3
285.10880	5.6
289.25284	3.3
291.23154	50.5
292.23657	2.0
299.18707	1.0
303.12088	4.7
315.11942	2.9
317.24667	4.5
329.13486	2.3
329.19366	1.0
335.25754	8.7
347.14755	2.5
359.14490	1.3
379.27850	1.3
391.17307	1.7
536.20538	1.0
555.25342	3.4
681.39673	18.6
682.39471	1.7
695.05267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03444	0.4
61.02931	0.5
65.03935	5.4
69.03429	1.3
71.42979	0.3
81.03418	0.6
85.02924	0.7
93.03395	0.4
95.04959	0.9
97.94874	0.2
100.11219	0.4
103.03946	0.7
103.05482	0.4
105.03387	5.1
105.04484	0.3
109.02862	0.6
111.04446	3.6
121.02863	100.0
121.03914	4.7
122.03162	1.8
127.03896	0.6
129.03400	0.8
135.46565	0.3
139.03891	0.7
147.04440	0.7
173.02367	0.6
177.01888	0.5
179.03395	0.4
182.15425	0.4
189.01845	1.0
189.05742	0.3
191.03368	3.0
201.01772	0.4
203.03430	0.6
205.04892	0.4
207.02882	1.0
209.04410	0.5
219.02879	0.8
229.04869	0.4
233.04498	0.4
251.06958	0.5
252.07794	0.9
253.08418	0.3
263.07031	1.2
265.08932	1.9
267.06488	1.0
268.07285	0.7
275.07111	0.7
277.08521	0.3
278.05719	6.8
279.06482	6.5
280.07266	0.9
281.08179	1.0
283.08112	7.8
284.08313	0.3
285.22299	0.3
289.08719	0.4
291.06491	17.4
292.07190	4.7
293.08063	12.6
294.08484	0.4
297.07458	1.7
303.06509	3.6
304.07217	0.9
305.08075	3.7
306.08804	1.2
307.06168	0.3
307.09512	0.7
309.07550	9.6
310.07874	0.7
316.07257	0.3
317.08130	1.7
319.06021	0.6
319.09708	0.8
320.06802	0.5
321.07553	43.4
322.07904	2.0
323.09116	0.7
331.09622	3.0
333.07562	4.3
334.08209	0.5
335.09048	3.1
339.08609	9.5
345.07452	2.6
347.09061	0.6
349.10852	0.7
351.08572	1.2
357.07315	0.6
359.09235	1.5
363.08603	8.6
364.08905	0.3
369.07565	0.4
375.08621	4.9
387.08591	4.3
393.09634	2.3
399.10898	0.6
405.09619	5.8
411.10471	0.8
413.12274	1.1
417.10098	0.3
423.10715	7.9
424.11136	0.6
429.09851	0.7
441.11801	34.2
442.12155	1.9
447.10831	0.5
459.12552	7.7
460.12274	0.4
465.11768	2.1
477.11697	0.5
483.12772	1.1
489.11850	0.5
495.12720	0.5
507.12827	1.5
525.13568	1.7
543.14954	2.3
561.14069	5.4
562.14819	0.5
579.14917	9.2
580.14850	0.9
649.06946	0.3
663.16467	0.4
681.17645	0.8
699.18884	1.2
708.60938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11810	0.2
61.02931	0.3
62.30501	0.2
65.03940	3.6
69.03432	1.9
69.09103	0.5
69.09509	1.0
81.03411	0.4
85.02898	0.8
90.42714	0.2
95.04971	0.8
97.02868	0.4
99.04492	0.3
103.03933	0.3
105.03386	3.0
109.02892	0.4
111.04436	2.6
118.87064	0.2
121.02863	100.0
121.03893	4.1
122.03185	1.3
127.03912	1.2
129.03349	0.4
139.03899	0.5
151.03951	0.2
173.02315	0.3
176.01074	0.3
187.03880	0.3
189.01845	1.2
191.03415	1.0
195.02940	0.3
203.03380	0.5
205.04984	0.6
207.02895	0.8
208.07190	0.2
219.02849	0.4
229.04977	0.7
239.03311	0.3
251.06972	0.4
252.07866	0.6
263.06940	0.3
265.08548	1.0
267.03256	0.2
267.06503	1.2
268.07291	0.4
275.07150	0.5
277.08694	0.3
278.05707	4.4
279.06497	5.5
279.09769	0.4
280.07385	1.2
281.08081	0.8
283.08115	10.8
284.08286	0.4
285.04028	0.4
289.08698	0.5
291.06485	10.9
292.07114	3.0
293.08044	2.1
297.07602	2.1
298.08011	0.2
303.06534	2.3
304.07333	0.5
305.07965	2.1
306.08792	1.6
307.06024	0.6
307.09650	0.7
309.07544	20.5
310.07919	0.8
313.08582	0.3
315.10300	0.3
317.08032	1.9
319.06085	0.4
319.09641	0.4
320.06781	0.4
321.07556	17.1
322.07938	0.9
329.08148	0.4
331.09528	1.8
333.07581	2.3
335.09106	3.6
337.07211	0.3
339.08636	2.9
341.08136	0.5
342.11011	0.7
345.07501	2.5
346.07950	0.4
347.09085	0.5
349.06894	0.2
349.10712	1.1
351.08737	0.5
357.08060	0.4
357.13364	1.5
358.08344	0.3
359.09164	1.4
363.08585	9.3
364.08994	0.4
369.07425	1.2
371.08990	0.4
375.08615	5.6
375.14328	1.1
376.09113	0.4
377.10095	0.3
381.09619	0.3
387.08588	4.8
387.13547	0.3
393.09537	0.7
405.09683	3.8
406.09772	0.4
411.10709	0.8
417.09738	0.3
423.10757	1.7
429.09753	3.1
441.09772	3.7
442.09689	0.3
447.10699	0.4
447.64880	0.3
459.10684	7.1
460.11249	0.3
465.11792	1.3
477.11407	0.3
483.10684	7.7
484.11026	0.3
495.11972	0.3
507.12326	0.7
513.11749	4.0
525.11957	4.0
526.12207	0.3
537.13904	0.3
543.12866	4.6
544.13409	0.3
549.13715	3.6
561.13892	8.7
562.14227	0.4
579.14941	3.3
603.14984	3.5
604.15527	0.4
627.14392	0.6
633.15869	1.2
645.15875	0.7
663.17108	2.1
681.18011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.1
58.58083	0.9
59.04866	11.5
60.05647	10.0
68.05031	2.1
69.24513	3.2
69.24920	1.8
70.06592	100.0
71.04979	3.8
72.05635	3.5
72.08157	1.5
73.06422	11.9
80.04997	1.0
83.06087	2.9
85.02933	1.0
85.06422	1.2
85.07660	2.3
86.07196	17.2
86.07704	1.0
87.07975	31.7
91.05475	2.4
95.06081	1.9
97.02934	1.2
97.07650	14.9
98.08436	33.8
100.07626	1.4
101.09526	2.5
103.05453	1.1
112.08729	21.9
113.07114	1.1
113.09514	1.2
114.10287	7.6
115.11059	0.8
116.07092	6.0
119.06922	1.4
130.08888	1.5
130.09764	17.3
131.04906	3.3
132.48210	0.8
147.04459	1.1
151.03864	1.6
158.09242	16.1
159.10019	5.2
167.02139	5.0
167.07179	0.8
168.02881	1.9
175.03888	1.6
177.58734	0.9
180.02899	2.0
185.03198	1.9
206.04414	0.9
206.63133	0.8
207.06488	4.0
220.06067	9.2
246.03905	2.7
271.08340	3.6
272.09109	1.1
284.08951	1.6
316.05737	0.9
324.12289	13.0
331.08170	4.4
334.06693	2.3
350.10193	2.4
351.09332	1.3
367.15240	19.1
370.13181	1.0
384.17938	40.5
385.18076	1.8
395.12457	0.9
412.14816	1.7
429.17703	72.6
430.17920	2.6
441.76923	1.0
455.15622	5.9
567.16809	1.3
568.30029	1.0
595.16559	5.4
613.17645	3.1
681.21326	1.6
699.22614	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	699.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56223	0.8
57.22984	0.8
59.04869	13.0
60.05652	10.4
65.65091	0.7
70.06593	100.0
71.05005	2.8
71.06936	1.0
71.40922	0.9
72.05648	3.3
72.08159	3.2
73.06425	12.5
83.06100	2.5
85.06422	1.7
85.07684	1.4
86.07190	17.0
87.07972	33.4
95.06095	1.5
97.07655	16.4
98.06051	1.2
98.08437	32.4
100.08838	0.8
101.09539	2.4
103.05473	0.9
105.07029	1.0
105.48423	0.7
112.08733	24.1
113.07156	1.1
113.09515	1.7
114.10293	8.8
114.28019	0.8
116.07082	8.0
119.06924	1.1
130.09766	19.8
131.04918	5.2
147.04396	1.0
151.03928	4.2
158.09239	14.2
159.10042	5.2
160.10887	1.1
167.02133	6.4
168.02827	1.3
175.11937	6.1
178.01334	0.9
180.02980	2.4
185.03172	1.2
190.34056	1.0
218.04572	0.9
220.06058	12.7
246.03984	2.6
264.05106	0.8
271.08270	4.4
272.05750	1.3
272.08984	1.5
284.09079	1.4
315.08948	0.8
321.07773	0.9
324.12271	15.4
350.10193	1.9
350.15054	1.8
367.15247	16.7
368.15479	0.9
370.12881	1.8
384.17914	43.5
385.18271	1.9
395.12283	1.3
396.10645	1.0
411.16736	1.2
412.15115	2.8
429.17694	78.8
430.17920	2.5
438.13068	1.4
455.15588	5.5
531.14594	1.1
577.15564	1.5
595.16364	4.8
613.18134	3.8
631.17755	1.1
649.19336	2.6
663.19110	1.0
699.22839	8.8
700.23560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19881	0.2
67.05527	0.2
70.06591	0.7
74.91093	0.2
78.94714	0.2
81.07085	0.2
98.22694	0.4
102.79572	0.2
109.84211	0.2
126.69965	0.2
127.54879	0.2
131.04932	0.4
140.33412	0.2
143.05391	0.2
157.85289	0.2
185.04250	0.8
203.05270	1.8
259.07898	1.8
274.73300	0.2
301.20218	0.3
305.08563	0.3
347.09332	1.0
365.10547	3.1
365.14816	0.2
421.13229	0.9
429.17651	0.4
524.13312	0.3
537.30298	16.6
538.30872	1.0
699.35547	100.0
700.35864	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03105	0.2
60.24147	0.2
64.87758	0.2
69.72588	0.8
70.06595	0.6
74.06070	0.2
87.04464	0.6
87.08015	0.2
98.22803	0.3
117.05798	0.4
124.50526	0.2
130.06554	0.5
131.04901	0.4
164.40636	0.2
166.01474	0.4
173.92606	0.2
182.05927	0.3
185.04216	0.6
193.05084	0.4
203.05310	0.3
225.00352	0.3
259.07904	0.6
280.06195	0.3
308.05603	0.3
347.09586	0.9
375.25439	0.3
382.86130	0.2
394.94766	0.2
412.11942	0.4
413.12454	0.3
428.11670	0.3
429.17520	0.4
537.30328	17.2
538.30640	0.6
547.58374	0.2
699.35529	100.0
700.35822	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	699.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97540	0.4
58.06632	0.4
62.63029	0.4
65.14590	0.4
67.05500	1.2
71.43133	0.6
73.02911	0.9
74.81418	0.4
76.30183	0.4
79.05490	1.4
79.95097	0.4
81.03406	0.5
81.07045	0.5
86.93127	0.4
87.04455	2.8
89.06033	3.3
89.06509	0.6
91.05483	1.2
93.07014	0.9
95.05007	0.6
95.08600	0.6
103.05477	0.7
105.04517	0.5
105.07020	16.3
106.07375	1.7
109.10164	0.5
121.06500	0.8
124.03947	1.1
124.32134	0.4
131.08577	0.6
133.08623	1.5
134.74957	0.4
136.06178	5.5
137.06581	1.1
139.01566	0.4
147.08047	0.8
153.02943	0.4
160.97768	0.4
170.60918	0.4
177.11281	1.0
193.58292	0.5
251.14461	0.6
499.51422	0.6
503.05905	0.4
639.93903	0.5
699.40704	100.0
700.41016	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	699.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80460	0.3
55.05441	1.6
56.96495	14.2
56.96796	1.7
57.84537	0.4
58.84834	0.4
69.82670	1.1
72.95966	0.4
73.73043	0.3
74.97547	0.5
83.08543	1.5
97.96787	0.6
98.23324	0.6
98.97556	0.4
105.00082	0.5
107.34938	0.4
110.97527	1.4
115.00639	0.4
123.01107	1.0
128.98509	1.1
133.44183	0.4
136.25827	0.4
137.02640	0.4
141.02164	0.8
146.99478	0.6
153.02139	0.6
155.03737	0.9
159.03229	0.7
167.03787	0.6
169.01511	0.4
169.22745	0.4
171.03250	0.7
173.04784	1.0
181.05283	0.7
185.04843	1.1
189.04294	0.7
189.07874	1.1
195.06902	1.1
199.06407	3.2
201.07913	1.0
203.05911	2.0
203.07433	0.6
205.07330	0.5
207.07045	0.7
207.08826	0.5
211.06351	1.5
213.07979	11.0
215.05693	0.4
215.09424	0.8
217.07419	3.7
219.06891	0.5
221.08369	0.9
223.10004	1.4
225.07967	4.4
227.05894	0.5
227.09492	0.8
229.07469	4.4
231.07231	0.6
231.09013	11.2
231.11310	0.6
237.07896	2.2
239.09529	4.4
241.11072	10.1
243.08997	3.8
245.10507	0.4
247.08510	3.2
251.09500	8.6
253.11150	1.2
255.09068	3.7
257.10504	2.8
258.08051	0.4
259.09476	0.8
259.12167	13.3
269.10583	49.1
270.10822	1.1
271.11850	0.7
273.10098	2.1
281.10294	0.6
287.11624	19.7
288.11853	0.6
292.12131	1.2
309.17227	0.7
315.16217	1.7
323.18848	0.6
333.17343	17.5
334.17773	0.8
339.18332	0.9
351.18405	40.5
352.18774	1.4
369.19446	100.0
370.19864	3.9
374.19962	0.6
387.20508	81.9
388.20724	3.3
410.22095	5.8
573.85913	0.5
681.42627	1.3
682.93042	0.4
699.43597	26.3
700.44092	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	700.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01871	0.6
55.05505	0.3
65.03931	2.9
67.05500	1.4
68.99795	0.3
69.03425	2.3
69.56441	0.4
69.56825	0.6
79.05480	1.9
81.03432	1.2
82.04201	1.0
83.04971	1.2
84.04487	0.7
85.02904	3.0
87.00830	0.7
91.05473	0.7
93.03404	0.7
95.04972	1.6
96.04531	0.3
97.02885	100.0
97.06517	0.9
98.03188	1.1
98.23508	0.4
99.04401	0.4
103.03962	0.2
103.05481	0.4
105.01816	0.4
105.04514	0.4
105.07024	0.9
107.04954	4.8
108.02077	0.4
109.02869	1.0
109.06497	0.4
110.03667	1.2
111.04454	1.9
114.05521	0.9
115.03933	0.2
115.05437	0.5
119.04939	0.7
121.02859	0.6
123.00811	0.4
123.04435	0.6
124.05179	0.6
125.05984	1.4
127.03925	1.0
129.01823	0.3
129.05464	1.0
129.07909	0.3
130.05011	0.4
131.04924	0.6
132.05754	0.2
133.06441	1.4
135.04417	0.5
137.05966	0.8
138.03134	0.7
139.03894	0.4
140.04649	0.3
142.02600	0.6
145.04889	0.2
147.02785	0.2
147.04416	0.8
150.03146	0.9
151.03902	0.8
153.05435	2.6
155.07056	0.3
160.05208	0.4
161.05972	2.5
165.05461	2.3
167.07051	0.8
168.04155	0.7
169.10162	0.4
169.97697	0.2
171.06512	4.5
175.03824	1.1
176.04413	0.3
177.05417	0.6
178.02551	0.2
181.04936	83.9
182.05273	2.1
184.03616	0.2
188.04646	0.5
189.03897	0.9
189.05521	0.9
191.07121	0.4
193.04930	2.2
193.08580	0.8
196.03651	0.8
204.04163	0.4
205.04936	0.7
205.08688	0.4
206.05696	0.7
207.06477	2.2
208.06827	0.4
211.05991	43.6
212.06313	0.8
215.05400	0.3
217.04942	0.3
217.08221	0.5
219.06578	0.5
221.08049	3.5
223.05957	0.8
231.06511	0.5
233.08073	2.5
241.07027	0.5
249.07565	7.5
259.05905	0.3
277.07034	20.3
278.07419	0.5
294.13312	0.2
295.08096	6.8
296.08459	0.3
313.09143	5.5
327.07010	0.4
329.08603	0.4
345.08084	1.0
421.11081	0.3
429.10571	0.3
479.37036	0.3
525.12103	0.6
543.13098	1.1
561.14520	4.6
578.19183	0.6
669.23535	0.5
701.27161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26447	0.4
51.02368	0.5
53.03923	0.4
55.01858	1.4
57.03429	2.0
57.36309	0.4
65.03943	0.4
65.46586	0.5
67.01850	2.0
67.05479	0.4
68.99786	4.0
69.03410	1.7
70.06583	0.8
71.01347	5.3
73.02910	8.6
77.00264	0.9
77.03912	0.8
79.01850	1.2
81.03407	0.8
83.01329	1.5
85.02897	15.9
91.05474	1.9
95.01311	1.5
95.04954	1.8
97.02877	4.1
99.00802	1.2
101.02351	1.7
102.04620	0.5
103.04006	0.8
103.05457	28.1
104.05729	0.4
105.04502	0.8
105.07037	5.7
109.02851	1.7
111.00830	0.5
113.01640	0.7
113.02355	7.4
121.02842	0.6
123.00748	0.5
125.02330	4.0
129.07043	0.4
131.03514	4.3
131.04910	100.0
132.05232	2.5
135.00749	0.7
137.02341	1.8
141.01813	1.7
141.07037	0.7
147.00764	5.4
149.02307	1.8
151.00238	1.2
151.03900	0.6
151.25479	0.5
153.01808	0.6
155.03580	0.5
155.04932	1.1
157.06433	0.5
159.02875	2.4
161.02304	0.4
163.00227	4.3
165.01817	6.5
167.08656	0.4
169.01306	8.7
171.04277	0.6
173.06006	0.8
175.00244	1.6
175.66014	0.4
177.01866	1.9
179.03423	0.4
181.01305	1.5
181.06567	0.6
183.02882	3.2
187.00235	0.6
190.99770	1.7
193.01305	14.5
197.00742	3.4
201.05432	0.5
202.99786	1.5
205.01297	18.8
205.06409	0.7
206.99268	2.0
209.00775	3.2
209.06020	0.7
211.02379	5.2
214.99713	1.6
215.07069	0.7
217.01237	0.6
218.99182	3.3
221.00789	19.0
223.02328	9.9
223.07310	0.6
225.00262	10.2
226.00974	0.5
229.35086	0.4
230.99252	2.0
233.00748	4.1
233.05925	0.6
237.00233	4.7
237.05461	0.7
239.01814	4.9
242.99275	2.8
245.00844	1.3
246.98712	13.7
247.02335	0.8
247.99068	0.6
249.00293	5.5
250.98228	1.8
251.01715	0.7
252.99719	0.6
261.00198	3.3
261.05353	0.6
263.01761	0.4
264.99759	1.6
267.01352	1.8
267.06421	0.8
268.99313	0.5
270.98682	1.9
273.00287	1.6
279.01242	1.2
279.06229	0.4
283.00949	0.9
288.99750	52.4
290.00058	1.3
291.01193	0.7
298.98196	10.1
299.98755	0.5
300.99725	7.4
305.04407	0.7
307.00772	6.7
307.05972	0.8
309.07513	19.3
310.07791	0.8
316.99243	25.0
317.99777	2.4
319.00864	2.8
319.06027	0.6
325.06912	2.0
329.04468	0.6
335.00281	27.9
336.00629	0.5
347.05499	2.9
351.04980	1.5
353.01404	0.6
357.03915	1.2
361.03409	0.6
363.04892	0.7
372.74435	0.4
375.04993	6.1
379.04263	1.1
393.05972	11.7
397.04181	0.9
403.04425	12.3
404.05289	0.5
405.06000	7.9
406.06500	0.6
411.07071	1.0
421.05469	60.2
422.06064	3.1
423.07043	10.8
424.07239	0.7
439.06592	4.8
451.11636	1.2
479.11118	4.2
481.12985	0.6
483.10648	0.5
493.02466	10.6
497.12256	6.1
507.10498	3.1
508.10983	0.5
509.12292	10.7
510.12704	0.5
511.03625	1.1
525.11768	22.3
526.12286	1.8
527.13214	0.6
584.25580	0.5
597.08655	8.0
626.25854	0.5
678.12878	0.4
701.15021	0.6
701.48639	0.9
715.47571	0.4
724.96381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64936	0.4
53.00697	0.4
68.68819	0.5
82.69113	0.5
89.20119	0.5
97.02937	1.3
105.07032	0.7
124.58301	0.5
145.02911	1.6
177.05544	0.8
230.16380	0.5
256.19455	0.6
315.08261	0.7
331.07986	0.9
349.12744	0.7
350.33047	0.6
493.12769	0.7
495.16022	0.7
525.15814	1.4
535.14319	2.2
578.19238	1.7
579.13232	2.5
597.19177	0.7
615.20630	5.9
657.21472	70.3
658.21924	4.9
669.23157	1.3
678.01160	0.6
701.20386	100.0
702.20728	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	701.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89426	2.1
60.05652	24.9
62.97824	1.8
65.03937	3.3
67.05504	1.9
68.05027	7.3
68.99786	8.4
69.03426	32.0
70.06244	2.8
70.06593	46.9
72.05630	5.2
73.06416	5.5
82.06580	2.4
86.06064	18.7
86.21283	1.9
87.07970	3.4
91.05486	4.0
93.03405	2.8
95.04961	3.8
95.06087	2.1
96.04482	49.1
97.02877	4.8
98.07173	4.0
103.05463	22.6
105.03345	2.2
105.07010	3.2
108.04475	3.1
108.60936	1.8
110.06012	4.8
110.07178	13.9
111.04417	5.4
111.05572	24.6
112.07596	7.6
112.08731	23.8
114.05527	26.3
119.04944	2.8
120.04448	8.1
121.02880	4.2
121.06508	9.5
122.06026	2.4
128.08252	9.9
128.09010	1.8
131.04922	86.0
137.07126	4.1
137.12407	2.0
138.05498	100.0
138.06544	3.5
139.02856	4.2
139.03885	47.7
140.07045	3.5
147.04388	6.5
148.03917	3.6
149.02327	3.6
150.05418	2.6
151.03830	2.0
152.07051	4.1
152.08173	4.2
153.05496	2.4
153.06601	2.9
156.06540	15.6
162.05444	3.1
162.06647	3.7
163.03844	5.3
163.05046	4.7
164.03413	18.8
165.01816	6.0
166.04967	5.4
173.09604	6.6
178.01282	4.5
180.06689	2.1
180.07744	19.9
181.06116	5.1
182.04436	8.2
183.02914	3.1
189.42752	2.1
190.04881	3.9
191.03392	3.5
192.02902	11.0
198.08760	31.4
206.04376	2.8
207.02773	11.0
210.03940	3.7
212.10219	3.4
215.04591	2.3
216.02940	21.6
217.01302	21.7
218.09128	2.2
220.06126	2.4
224.06682	21.1
230.05524	3.3
234.03937	14.9
235.02382	4.2
242.07683	17.1
242.11456	9.6
248.05363	19.9
249.03876	13.6
250.08316	4.2
258.05051	3.4
259.03601	2.9
260.08762	7.2
266.06644	2.4
268.09406	8.9
269.07907	2.3
272.06531	2.8
272.09149	2.7
276.06070	4.9
280.09210	2.2
282.07599	5.5
282.10620	2.2
284.13913	2.2
290.07678	60.1
290.10825	4.0
302.14896	4.3
308.08801	23.6
310.11710	5.8
320.09039	4.7
320.16006	2.8
322.99445	2.3
324.12283	2.7
326.09821	2.6
328.12817	8.9
346.13965	98.0
347.14142	4.5
352.11710	16.1
353.10037	10.6
368.15402	2.2
370.12888	7.3
376.12778	8.5
388.13943	9.1
394.13922	23.0
395.13788	3.0
412.14984	49.0
413.15546	4.6
430.16122	26.7
435.56100	2.0
452.09369	2.9
529.13550	4.7
538.15118	3.2
544.12720	2.5
561.15802	5.8
588.16052	2.7
605.19812	2.6
647.20795	7.7
665.22180	16.5
683.22205	4.8
687.60449	2.2
701.24438	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08382	1.6
55.04782	1.5
55.05513	1.7
63.53720	1.5
67.05507	5.6
71.04977	1.9
71.44123	1.8
73.02908	2.4
79.05496	8.8
81.07053	5.4
86.09742	2.8
87.04481	5.8
89.06028	10.5
91.05488	3.8
93.07072	2.1
94.86059	1.5
95.04962	8.0
95.08611	2.3
103.05473	4.6
105.03386	18.3
105.04514	2.8
105.07025	83.4
106.07347	13.7
109.10156	1.8
113.00033	3.6
117.07233	1.4
118.40916	1.8
119.08566	7.5
121.06500	2.0
125.00052	2.2
129.15526	1.6
131.08609	3.7
133.08647	4.4
136.06224	5.3
137.80344	1.7
139.01541	14.5
155.08508	1.8
157.10251	1.5
159.11774	2.5
169.10222	1.7
171.11769	1.8
180.07784	1.9
183.04240	2.4
184.07350	9.7
251.14375	2.7
293.03418	1.9
329.19379	1.7
335.16257	2.0
335.25928	2.0
356.80170	1.5
367.21252	2.2
457.19800	3.5
579.23462	57.4
580.23663	4.0
701.27197	100.0
701.45435	20.6
702.27490	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	701.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24922	0.3
55.10648	0.3
67.05507	0.4
69.07083	0.3
72.97685	0.3
79.05515	0.3
81.07062	0.4
87.04470	0.4
89.06046	0.5
91.05521	0.3
95.08618	0.3
103.48698	0.3
105.07043	1.9
126.91982	0.3
127.01604	0.4
129.07085	0.3
133.08604	0.7
137.18474	0.2
185.04276	0.6
203.05446	0.3
229.14468	0.3
259.07925	0.6
347.09665	0.5
348.83414	0.3
352.97217	0.3
539.31909	17.8
540.32544	0.8
701.37146	100.0
702.37366	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	701.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67835	0.9
105.07052	0.3
185.04240	0.7
203.05272	1.7
259.07938	0.7
347.09384	1.0
365.10547	2.5
421.13153	0.9
539.31873	16.9
540.32343	1.0
701.37109	100.0
702.37433	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	702.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99763	0.7
69.13891	0.6
91.04961	0.2
91.05476	2.8
94.02914	0.8
95.01306	0.3
96.87655	0.1
103.05463	3.6
105.03342	0.5
105.06997	0.4
110.02379	0.2
111.93787	0.1
113.02357	0.2
115.05455	8.3
117.06976	0.4
118.06522	0.8
121.02779	0.2
124.03944	1.2
125.02332	0.3
128.06172	0.2
129.06982	0.9
130.06520	0.3
131.04924	11.0
131.87131	0.1
132.05188	0.2
138.01860	0.9
139.00229	0.2
141.01808	0.3
141.06963	0.5
142.06522	4.5
143.04872	0.2
143.07256	0.5
144.08047	0.5
146.05978	0.2
149.02287	0.5
151.02640	0.1
151.03795	0.2
153.01794	0.3
153.06984	0.7
154.06555	0.2
155.03334	0.2
155.04909	0.4
156.08057	0.6
157.06491	1.1
165.06979	0.3
166.01357	0.3
167.02144	0.2
167.03372	0.7
167.04680	0.2
168.02881	0.9
168.04272	0.3
168.08115	0.4
169.01300	2.3
169.06454	0.4
170.05984	3.6
171.08032	0.2
178.01369	0.2
179.03323	0.4
180.02869	0.5
181.06473	1.4
182.06015	0.5
184.07544	1.0
185.00786	0.5
185.05862	0.3
192.02904	1.5
194.04478	2.3
196.07536	0.5
199.03908	0.2
199.07521	0.7
200.07028	0.5
202.01442	0.2
208.07568	0.2
209.06007	0.9
209.07738	0.2
210.05504	0.2
212.07166	0.8
213.05443	0.3
217.87741	0.2
218.01141	0.3
220.02376	0.2
224.07059	1.5
225.05438	0.2
227.07031	0.4
228.06586	0.2
231.06488	1.5
232.06010	0.3
234.03952	0.7
236.06952	0.4
237.05450	0.6
238.04987	3.7
238.07573	0.2
238.08496	0.3
239.07059	0.4
241.04927	0.4
242.08107	0.6
248.01894	0.2
252.06552	2.8
254.05646	0.5
254.08134	0.6
255.06502	5.8
256.06015	4.1
257.08163	0.7
262.03473	1.6
264.06415	0.1
266.02936	0.2
266.08145	0.8
270.07623	2.0
271.08319	0.8
272.01974	0.3
272.09229	0.2
276.01404	0.2
278.08084	0.3
280.06036	21.8
281.06387	0.7
282.07608	0.7
283.08322	0.3
284.09146	2.3
290.02921	2.1
291.03232	0.2
294.02472	0.2
296.09152	1.1
298.07059	3.3
298.10419	0.3
306.07626	0.2
308.09027	0.2
312.08694	0.9
318.02423	15.6
319.02856	0.3
322.06894	0.3
336.03336	0.3
336.08502	0.2
338.10144	0.2
342.11298	0.3
354.09677	0.2
360.12289	3.3
361.12363	0.2
380.07837	1.0
384.12265	12.0
385.12430	1.0
398.08408	0.2
404.07336	0.4
422.08676	14.3
423.08887	0.8
432.95963	0.1
440.09656	0.2
484.13550	0.2
505.11032	0.1
525.13770	0.3
526.14935	100.0
527.15295	6.6
675.51178	0.2
702.18079	9.4
703.18567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01862	4.8
60.74615	1.6
61.02904	2.4
65.03943	3.4
68.99751	2.1
69.03429	5.2
69.45327	3.1
69.45718	4.8
70.06583	1.9
72.61172	1.7
75.04468	4.0
78.04710	2.3
79.05489	4.2
81.03411	5.3
85.02905	15.7
87.00823	3.3
87.04478	1.9
91.05486	18.8
93.03410	15.3
93.07056	8.3
95.04964	8.4
97.02906	3.4
97.06525	3.9
103.05473	13.6
104.07120	2.1
105.01866	2.2
105.04489	2.4
105.07028	13.7
106.04180	33.2
107.04987	9.2
109.02855	5.2
111.04434	3.3
115.05434	2.9
118.04147	2.6
119.04913	1.8
121.06509	37.9
124.54064	1.8
125.05956	8.4
127.03916	8.0
131.04903	7.9
133.06485	15.8
134.03601	5.0
135.04373	3.0
137.05957	5.3
139.07545	3.2
145.02823	2.6
148.05179	5.1
149.05971	58.8
151.03925	13.9
151.07574	4.5
153.09148	12.0
159.02913	1.8
161.05974	26.9
163.03917	11.5
163.07520	8.4
167.07007	7.5
177.05476	25.7
177.09064	8.1
181.08595	26.2
189.05455	4.1
189.63203	2.3
191.07045	33.5
193.08586	25.8
195.06598	9.0
207.06506	2.4
207.09824	1.8
209.08086	100.0
221.08112	18.0
229.08647	3.0
233.08055	2.4
247.09669	1.9
259.09796	2.2
263.09073	4.2
279.13782	2.1
283.13312	1.8
287.09128	1.8
297.14819	6.4
307.13269	2.3
315.15936	6.3
325.14392	3.7
343.15344	5.5
361.16492	3.4
371.14899	5.5
409.11002	2.6
410.47925	1.9
432.49213	2.3
582.85840	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36839	1.5
55.01864	4.5
55.06103	1.4
60.90445	1.5
65.03941	4.2
69.03409	4.3
69.35490	8.8
75.04474	3.6
77.03919	1.8
78.04716	2.3
79.05485	4.3
81.03413	3.9
85.02894	10.4
87.00826	3.4
89.03933	2.0
91.05481	16.5
93.03392	11.6
93.07039	9.6
95.04971	10.0
97.06524	4.4
103.05444	14.0
105.07024	14.9
106.04166	33.9
107.04965	11.7
109.02871	3.6
115.05415	1.5
118.04144	1.8
119.04939	2.4
121.06487	35.6
123.04414	1.9
124.05192	1.4
125.05977	8.9
127.03920	2.9
130.04041	1.6
131.04924	8.8
132.11870	1.5
133.06461	15.2
134.03618	5.3
135.04372	2.7
137.05945	4.7
139.07524	4.1
143.06076	2.1
148.05179	4.7
149.05969	62.4
151.07518	3.3
153.05498	2.9
153.09082	14.8
159.02869	1.7
161.05959	24.0
163.03873	8.2
163.07535	8.6
166.06297	2.1
167.07045	6.2
177.05447	24.0
177.09099	7.0
181.08572	26.2
189.05426	3.3
191.07001	31.2
193.08588	18.8
195.06563	7.8
199.07451	1.7
207.06491	2.8
209.08072	100.0
210.08278	2.3
221.08064	12.1
233.08064	3.4
252.09387	1.7
263.09079	3.7
287.08969	2.2
305.10489	2.1
343.15448	2.4
371.14731	6.1
383.15186	2.1
387.14252	2.0
400.82358	1.6
401.16107	3.1
409.11252	2.9
414.88260	1.6
592.63879	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	702.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	0.7
59.05001	25.1
67.05497	0.6
69.66325	2.2
73.06551	0.7
79.05492	7.0
86.09695	1.4
87.04456	1.6
89.06033	4.9
91.05472	3.5
93.07053	1.4
95.04948	3.4
98.23484	0.7
103.05474	5.2
103.07580	25.0
105.07027	100.0
106.07367	2.3
120.53315	0.6
121.06506	6.7
124.99995	1.7
129.06990	1.7
131.08560	2.2
131.54443	0.6
133.08601	3.9
136.06068	0.8
137.98494	0.6
147.08046	2.7
147.10158	13.7
152.77931	0.7
165.09125	1.7
177.11201	1.5
184.07274	3.1
191.12814	1.9
209.11676	1.6
223.11218	0.6
225.12720	4.1
251.14352	3.7
254.42523	0.6
269.15402	3.0
295.17081	0.7
313.17957	2.7
327.17264	1.2
329.18848	2.9
352.45761	0.6
373.21982	5.7
391.23230	2.3
464.84653	0.7
477.27991	3.1
495.29416	3.8
702.43689	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	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03942	2.4
55.01865	4.4
55.05507	53.4
57.03437	16.8
57.07069	4.9
59.04990	4.3
61.02909	3.9
65.03887	1.8
67.05499	61.4
69.03418	6.0
69.07057	15.1
71.04990	3.1
71.43764	1.6
73.02925	4.7
73.06558	1.8
77.03924	1.9
78.41669	1.2
78.81027	1.4
79.05486	45.9
81.03411	2.0
81.07051	56.8
83.04965	6.0
83.08610	34.6
85.02908	4.2
85.06544	3.4
86.09707	2.8
87.04463	14.0
89.06016	10.5
91.05468	21.6
93.07040	40.4
95.04948	10.4
95.08598	34.4
97.02907	2.8
97.06526	2.5
97.10163	71.2
103.05447	1.4
105.03384	11.3
105.04514	3.3
105.07021	42.2
105.07733	2.1
106.07342	2.9
107.08584	38.2
109.06539	2.8
109.10146	15.7
111.08051	4.3
117.07010	7.8
119.08575	14.5
121.06512	2.7
121.10131	17.4
123.08069	3.4
123.11708	5.5
123.45863	1.5
124.03898	1.8
125.09621	68.9
131.08540	11.8
133.08580	6.0
133.10071	9.2
135.08061	7.7
135.11681	13.2
137.13293	1.4
141.32451	1.3
143.10687	2.8
145.10101	8.1
145.64317	1.6
146.02110	1.7
147.08052	2.6
147.11676	5.0
149.13196	6.7
153.09123	2.9
155.08505	1.4
157.10146	4.0
159.11682	6.5
161.13278	4.7
161.81485	1.3
163.14830	4.7
165.09055	1.6
169.10161	1.6
171.10255	2.5
171.11647	3.7
173.09631	1.7
173.13261	6.6
175.14853	2.1
177.11188	1.8
177.16379	1.8
184.07359	4.3
187.14835	3.7
189.09491	2.4
189.11206	47.2
199.14894	1.7
201.16216	1.3
207.13876	1.9
209.13313	1.5
221.15416	2.5
227.12752	78.0
227.20067	12.3
228.13176	1.4
243.21071	7.6
245.13821	100.0
246.14102	1.9
251.14331	1.3
255.04895	1.3
261.22113	25.9
267.15976	2.0
279.23267	2.2
290.29178	1.2
290.74811	1.3
309.18005	1.2
313.27655	1.8
317.24738	4.7
335.25772	97.0
336.26114	4.1
353.16821	1.4
431.31348	2.4
457.19638	1.4
487.34167	9.2
500.35168	1.3
505.35126	67.1
506.35498	3.1
523.36273	1.5
579.23529	39.3
580.23560	6.8
702.26599	54.9
702.46820	4.0
703.26691	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	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93594	0.8
53.03937	2.1
55.01874	4.8
55.05508	47.1
57.03439	12.1
57.07069	2.2
59.05007	1.9
61.02942	4.6
65.03944	1.8
67.05504	50.0
69.03423	6.4
69.07068	11.9
70.92994	1.3
71.08647	1.5
73.02901	2.0
73.06565	0.9
75.19185	0.9
79.05492	35.7
79.05952	2.0
81.07054	41.8
83.04974	3.6
83.08620	29.5
85.02891	2.9
85.06541	1.8
86.09706	1.3
87.04461	4.5
89.05996	5.1
91.03953	1.5
91.05474	13.9
93.07041	29.8
95.04961	3.7
95.08604	25.8
97.02903	1.9
97.06566	1.0
97.10166	61.5
99.08092	1.5
101.35214	1.0
105.03391	1.6
105.04534	1.3
105.07030	26.6
106.07352	2.6
107.08591	28.6
109.06528	1.3
109.10148	14.9
111.08160	1.9
115.07538	1.3
116.75835	0.9
117.07003	5.4
119.08570	7.3
121.06467	1.3
121.10138	11.2
123.08039	1.6
123.11712	2.9
125.00013	2.0
125.09621	60.3
127.01558	2.3
128.45909	0.9
131.08562	8.0
133.08606	2.6
133.10121	3.2
135.08055	7.2
135.11696	9.7
137.09618	1.1
137.13258	2.0
143.08667	1.2
143.10670	3.0
145.10101	5.4
147.08047	1.9
147.11690	4.1
149.13255	4.9
153.03128	1.3
153.09119	4.1
157.10056	1.1
159.11670	4.9
161.13301	1.6
163.14813	2.7
171.10133	4.0
171.11505	1.4
173.13268	3.2
175.14856	1.9
177.16344	1.2
183.11685	1.2
184.07376	6.8
187.14850	2.6
189.09473	1.9
189.11214	44.4
227.12766	72.0
228.13194	1.6
243.21097	7.5
245.13831	100.0
261.22137	21.9
262.22714	1.0
279.23135	2.7
317.24786	3.1
335.25787	65.8
336.26132	2.0
408.13943	1.1
413.30066	1.4
431.31485	1.5
487.34177	6.8
505.35214	41.0
506.35580	2.6
523.36115	3.0
702.46600	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	704.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.8
60.08164	5.8
62.47931	0.3
69.77790	0.7
69.78182	0.7
71.07368	3.1
86.09705	29.0
98.98462	3.6
100.38874	0.3
104.10743	2.4
108.82638	0.3
116.48548	0.3
125.00002	19.7
132.78064	0.3
145.28540	0.3
184.07336	100.0
185.07639	1.1
267.13202	0.3
279.76144	0.3
383.69937	0.3
704.48572	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	705.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88857	1.0
56.96559	3.2
69.49971	4.9
70.06592	3.1
84.08156	1.2
86.09676	1.3
91.05438	1.1
93.05475	1.2
93.07039	1.2
98.97589	5.6
110.97592	2.9
112.03952	1.0
116.98624	2.9
119.04974	1.3
120.18223	1.4
121.02886	1.5
127.00735	1.6
128.98608	3.7
133.10118	3.0
133.11053	1.0
134.99579	1.2
146.99648	1.5
147.04448	1.6
177.05513	2.1
187.14870	2.7
188.15105	1.5
191.14323	2.2
219.01724	2.7
227.02396	1.6
237.02859	5.0
243.84436	1.0
251.02303	1.3
275.40878	1.1
287.01773	1.9
293.07059	2.6
311.08243	1.4
407.06891	1.5
434.86310	1.2
460.10504	3.8
475.12613	8.3
478.11578	1.5
517.13916	2.7
535.14252	4.1
571.14380	1.7
587.53290	1.4
619.17035	8.1
661.18866	15.8
704.50256	28.5
705.17828	100.0
705.50616	4.4
706.18567	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	705.1844
Annotation	Diinsinin
Peak:m/z	Relative Intensity
63.90202	0.5
65.77118	0.5
70.55453	1.1
89.56597	0.5
97.99934	0.5
106.51836	0.6
118.37808	0.5
155.94853	0.5
171.91193	0.6
204.37491	0.5
247.26276	0.6
299.40442	0.5
439.63959	0.6
526.48798	0.5
543.13196	27.2
544.13306	1.4
685.55658	0.6
705.18420	100.0
706.18744	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	705.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92060	0.6
52.29650	0.5
65.15129	0.6
69.90768	1.2
69.91117	1.3
93.13846	0.6
140.58060	0.6
191.68416	0.6
210.60504	0.6
239.38237	0.5
389.68564	0.6
405.81406	0.7
425.58749	0.6
453.57489	0.7
543.13202	31.8
544.13544	1.2
579.04584	0.8
635.37140	0.6
705.18451	100.0
706.18707	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	705.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05503	1.5
57.03445	1.2
61.02921	3.2
65.03947	1.9
67.01865	9.9
67.05506	5.7
68.99795	2.8
69.03438	0.9
69.07064	1.3
69.45626	2.0
69.46015	1.6
73.02936	1.4
79.05482	3.7
81.03416	1.4
81.07071	5.6
83.05019	0.8
83.08592	0.9
85.02911	2.9
89.06028	1.6
91.03966	1.3
91.05465	4.7
93.07045	4.8
95.04964	2.3
95.08607	2.2
97.02887	3.5
98.22778	1.6
100.12326	0.8
103.05506	1.2
105.03385	1.1
105.07012	2.6
107.04942	0.9
107.08582	1.2
109.02915	1.6
109.10172	1.6
111.04453	1.2
115.05458	1.0
117.07014	1.7
119.04942	7.7
119.08607	1.9
121.02860	45.9
121.06487	0.8
121.10172	1.5
127.03905	0.9
131.04897	1.7
131.08585	1.1
133.10135	0.9
135.04446	1.0
135.11771	1.1
137.02306	1.0
139.00273	1.9
141.01837	2.3
145.02834	5.7
145.06441	1.5
147.04410	3.8
149.02365	2.2
151.03917	2.0
157.01318	2.5
157.06454	1.2
159.04474	1.5
163.03918	11.8
167.03419	4.7
169.06407	1.0
173.06036	1.6
175.03958	1.9
187.03915	4.3
187.07538	2.6
189.05524	2.1
197.05936	1.2
201.05544	1.5
207.06496	2.1
211.03926	2.0
213.05429	2.4
215.07002	1.3
227.06999	3.2
229.04947	8.6
231.06561	2.1
239.06940	4.7
241.04903	6.5
241.08691	1.1
243.06564	2.7
247.05974	8.5
251.07005	1.5
252.07814	1.4
253.08759	1.7
255.06493	13.2
257.04373	4.5
259.10220	0.9
265.04929	2.0
265.08667	2.1
267.03604	1.9
267.06497	39.8
268.07089	2.2
269.04379	1.0
269.08096	1.0
271.05957	2.0
275.05542	3.4
277.08578	4.9
279.10184	1.6
281.08136	5.1
283.05957	2.2
287.16412	3.2
289.08798	1.3
291.10324	1.9
293.08096	5.6
294.08664	1.0
295.06281	1.2
295.09314	1.7
305.07971	2.7
307.09604	1.3
309.07373	1.3
317.08047	1.0
359.16376	2.2
361.18042	2.0
377.17529	4.7
379.19043	12.3
387.15933	7.8
389.17526	4.4
395.18552	4.5
405.16946	16.8
407.18582	19.3
408.18826	1.3
415.15436	2.1
423.17941	16.7
433.16446	10.8
441.19238	1.1
451.17502	100.0
452.17804	5.3
469.18591	15.6
497.21561	2.5
507.20029	3.2
515.22754	1.0
525.21173	99.6
526.21606	6.8
543.22186	26.6
544.22345	0.9
632.93176	1.1
687.25104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01858	1.7
55.05508	2.7
57.03420	1.3
61.02910	2.7
65.03938	1.9
67.01846	2.5
67.05504	8.0
68.99786	2.8
69.07043	1.6
69.54828	4.0
70.39099	1.0
70.78963	0.9
71.01336	1.0
72.98338	0.9
73.02912	4.2
73.46156	0.9
78.66901	0.9
79.05481	7.5
81.03393	1.8
81.07054	8.3
85.02887	2.1
87.04442	3.4
89.06022	7.5
91.05470	6.0
93.07040	5.7
95.04962	2.4
95.08582	2.8
97.02885	3.2
103.03946	1.4
105.03371	2.0
105.07019	3.9
107.01284	1.5
107.04922	1.9
107.08591	3.9
111.04402	1.0
117.07010	1.7
119.04945	9.4
119.08572	1.2
121.02856	38.2
121.03817	1.8
123.04412	1.0
124.03927	1.4
127.01540	3.3
131.04996	1.4
133.08597	4.2
135.04478	0.9
137.02335	1.0
137.79010	1.2
141.01753	2.0
145.02864	4.0
145.06447	1.4
147.04405	3.8
149.02402	4.7
151.03920	4.9
153.03099	5.0
157.01350	2.2
157.06512	1.1
159.04482	1.6
163.03886	6.3
165.07126	1.6
167.03375	7.0
169.04994	1.8
169.06432	1.6
173.06000	1.9
175.03914	2.8
177.05518	1.8
177.11215	1.7
185.05922	1.0
197.05836	5.3
201.05499	1.3
207.06544	3.0
215.06932	1.6
226.06168	1.3
227.07043	3.9
229.04900	5.9
231.06511	1.9
239.06953	5.4
241.04985	5.4
242.05699	1.3
243.06485	4.0
247.06001	3.0
251.06906	2.3
253.04701	1.2
253.08635	2.1
255.06502	24.4
257.04370	3.3
265.08627	5.5
267.06509	82.8
268.07050	2.4
269.08072	9.8
271.05981	3.0
275.05383	2.1
277.08612	7.7
279.06592	1.3
279.10074	3.3
281.08044	5.6
283.05954	5.2
285.07544	1.4
289.08636	2.0
291.06448	1.3
291.10080	2.2
292.07230	1.4
293.08075	9.5
295.06207	2.0
295.09616	3.1
305.08078	4.1
307.06180	1.5
307.09607	2.5
309.07544	2.0
340.86224	1.1
359.16309	3.8
361.17993	3.6
377.10159	1.2
377.17487	7.5
379.19012	4.5
387.15848	13.8
389.17459	2.5
395.18262	2.8
405.16953	23.3
406.17087	2.3
407.18402	3.9
415.15414	3.2
423.17969	17.0
433.16394	20.9
451.17465	100.0
452.17722	4.0
469.18460	14.5
497.21564	2.5
507.20081	3.3
525.21161	90.5
526.21442	5.9
533.45911	1.3
543.22180	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25647	0.7
55.01865	1.2
55.05497	2.7
57.03423	1.2
59.05003	0.8
61.02920	1.7
65.03923	1.6
67.01858	2.7
67.05492	8.4
68.99783	3.4
69.03407	1.3
69.07063	2.2
69.13465	5.7
69.96765	0.8
71.04950	0.7
73.02907	3.7
73.06522	1.0
77.56642	0.8
79.05486	5.7
81.03373	0.9
81.07053	6.1
85.02888	1.3
87.04444	2.6
89.06029	6.8
91.03963	1.2
91.04968	1.0
91.05447	5.1
93.07040	5.3
95.04935	2.6
95.08601	2.7
97.02865	3.8
99.03284	1.3
101.68771	0.7
103.03924	1.9
105.03338	0.9
105.07021	3.0
107.04942	1.0
107.08566	3.2
109.10173	1.1
111.04421	1.0
115.05528	0.8
117.06956	0.9
119.04935	7.6
119.08546	1.7
121.02853	35.3
121.03780	1.7
121.06471	0.8
121.51829	0.8
122.03177	1.1
123.04448	1.1
124.03946	1.1
126.07561	0.7
127.01551	3.2
131.04901	1.6
131.08522	0.8
131.69453	0.8
133.08609	3.7
133.10126	1.1
135.11604	0.8
137.02324	0.9
141.01826	2.5
143.05937	0.7
145.02838	5.7
145.06462	1.6
147.04364	2.3
149.02332	3.2
151.03882	3.0
153.03125	5.4
155.03403	0.9
157.01305	1.1
159.04366	1.3
163.03893	6.0
163.11147	1.6
165.05464	1.3
165.06990	1.3
167.03377	6.8
169.05026	1.0
169.06474	1.0
173.05956	0.9
175.03897	0.9
175.11211	1.0
177.05424	1.9
177.11185	1.4
179.07047	1.1
187.03873	2.3
187.07445	1.2
189.05418	0.8
197.05829	4.7
203.03423	0.8
207.06424	1.6
208.06740	1.1
209.09720	0.9
213.05394	2.0
215.06578	0.8
217.04893	1.1
227.07001	2.4
229.04977	5.6
231.06525	1.1
239.06984	4.5
241.04976	4.0
241.08450	1.1
243.06505	2.3
247.06012	3.2
251.07057	1.7
252.07861	0.9
253.08591	1.4
254.77818	0.7
255.06479	20.5
257.04446	2.6
258.05215	1.0
261.09134	0.9
265.04752	1.2
265.08603	3.9
267.06482	63.8
268.06934	2.2
269.05200	1.2
269.07990	7.8
271.05991	1.9
275.05460	1.8
276.07849	1.2
277.08459	7.3
279.10184	1.6
281.08008	4.7
283.05948	3.3
289.08563	2.1
289.14185	0.9
291.06610	1.5
291.10104	2.4
292.07452	0.9
293.07965	6.3
295.06036	2.1
295.09607	2.2
303.10257	1.3
305.08203	3.7
307.06201	1.2
307.09683	2.2
309.07373	2.1
309.10782	1.1
311.18607	0.8
317.07977	1.3
359.16330	2.9
361.17789	2.1
369.14911	1.2
377.10065	0.9
377.17395	6.8
379.18893	5.2
387.15912	9.3
389.17404	2.0
395.18420	2.8
397.14502	1.4
405.16934	20.1
406.17102	1.8
407.18744	4.6
415.15451	2.5
423.17999	16.1
433.16437	20.4
434.16776	1.9
441.18771	1.2
451.17471	100.0
452.17633	5.1
469.18558	11.6
470.18552	1.1
497.21478	1.9
507.19748	2.7
515.22900	1.0
517.61017	0.9
525.21143	79.0
526.21594	5.0
543.22107	26.9
544.22510	2.6
705.30493	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	705.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05503	1.5
57.03445	1.2
61.02921	3.2
65.03947	1.9
67.01865	9.9
67.05506	5.7
68.99795	2.8
69.03438	0.9
69.07064	1.3
69.45626	2.0
69.46015	1.6
73.02936	1.4
79.05482	3.7
81.03416	1.4
81.07071	5.6
83.05019	0.8
83.08592	0.9
85.02911	2.9
89.06028	1.6
91.03966	1.3
91.05465	4.7
93.07045	4.8
95.04964	2.3
95.08607	2.2
97.02887	3.5
98.22778	1.6
100.12326	0.8
103.05506	1.2
105.03385	1.1
105.07012	2.6
107.04942	0.9
107.08582	1.2
109.02915	1.6
109.10172	1.6
111.04453	1.2
115.05458	1.0
117.07014	1.7
119.04942	7.7
119.08607	1.9
121.02860	45.9
121.06487	0.8
121.10172	1.5
127.03905	0.9
131.04897	1.7
131.08585	1.1
133.10135	0.9
135.04446	1.0
135.11771	1.1
137.02306	1.0
139.00273	1.9
141.01837	2.3
145.02834	5.7
145.06441	1.5
147.04410	3.8
149.02365	2.2
151.03917	2.0
157.01318	2.5
157.06454	1.2
159.04474	1.5
163.03918	11.8
167.03419	4.7
169.06407	1.0
173.06036	1.6
175.03958	1.9
187.03915	4.3
187.07538	2.6
189.05524	2.1
197.05936	1.2
201.05544	1.5
207.06496	2.1
211.03926	2.0
213.05429	2.4
215.07002	1.3
227.06999	3.2
229.04947	8.6
231.06561	2.1
239.06940	4.7
241.04903	6.5
241.08691	1.1
243.06564	2.7
247.05974	8.5
251.07005	1.5
252.07814	1.4
253.08759	1.7
255.06493	13.2
257.04373	4.5
259.10220	0.9
265.04929	2.0
265.08667	2.1
267.03604	1.9
267.06497	39.8
268.07089	2.2
269.04379	1.0
269.08096	1.0
271.05957	2.0
275.05542	3.4
277.08578	4.9
279.10184	1.6
281.08136	5.1
283.05957	2.2
287.16412	3.2
289.08798	1.3
291.10324	1.9
293.08096	5.6
294.08664	1.0
295.06281	1.2
295.09314	1.7
305.07971	2.7
307.09604	1.3
309.07373	1.3
317.08047	1.0
359.16376	2.2
361.18042	2.0
377.17529	4.7
379.19043	12.3
387.15933	7.8
389.17526	4.4
395.18552	4.5
405.16946	16.8
407.18582	19.3
408.18826	1.3
415.15436	2.1
423.17941	16.7
433.16446	10.8
441.19238	1.1
451.17502	100.0
452.17804	5.3
469.18591	15.6
497.21561	2.5
507.20029	3.2
515.22754	1.0
525.21173	99.6
526.21606	6.8
543.22186	26.6
544.22345	0.9
632.93176	1.1
687.25104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4026
Annotation	Voacamidine
Peak:m/z	Relative Intensity
51.82853	0.5
86.09704	1.1
87.04474	0.8
89.06042	1.9
105.07029	6.1
106.44928	0.6
106.93534	0.6
131.28430	0.6
133.08673	0.9
153.50307	0.6
178.26978	0.6
184.07368	2.6
185.04204	1.0
246.77319	0.6
329.19153	0.7
347.09616	1.4
376.04227	0.6
543.34967	19.3
544.34821	0.8
548.29657	0.6
705.40222	100.0
706.40295	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	706.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03935	1.0
55.01862	0.5
55.05518	0.3
61.02926	0.4
63.65621	0.2
65.03934	2.0
67.05499	0.9
68.99755	0.4
69.03426	2.4
69.07069	0.3
70.06599	0.3
71.04985	0.4
71.40997	0.2
77.03905	0.3
81.03416	4.6
85.02902	4.3
87.00815	0.7
91.05473	0.5
93.03384	1.8
95.04965	1.4
97.02886	3.1
99.04436	0.7
103.05453	0.4
105.01858	1.0
106.04170	0.7
107.04980	0.2
108.02072	1.6
109.02890	3.7
109.03573	0.4
111.04440	2.7
113.12280	0.2
121.06477	0.5
123.04414	0.5
125.05984	2.4
127.03905	4.0
131.04900	1.0
136.01581	0.4
137.05945	0.2
141.05466	1.3
145.04956	0.8
147.02869	0.3
149.05969	1.0
151.03903	100.0
151.04959	5.9
152.04228	1.5
159.02885	0.4
163.03857	0.4
165.05452	0.3
169.04962	8.3
176.98560	0.2
177.05498	0.5
181.08607	0.5
209.08073	2.1
211.06070	0.7
213.04030	0.7
231.05002	0.7
246.45081	0.2
253.07094	0.9
261.14914	1.4
271.08078	0.3
277.07175	1.1
295.08112	4.5
313.09158	9.2
345.25485	0.2
355.10364	0.3
386.04111	0.3
399.09222	1.2
525.12372	0.4
543.13574	1.1
561.14600	0.8
706.19141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01870	2.5
55.05498	7.8
57.03433	2.3
57.07074	2.3
59.04990	2.7
61.02931	1.4
67.05500	14.6
68.99792	2.1
69.03428	19.5
69.07063	11.6
71.01328	1.3
71.04998	3.5
71.08626	1.1
73.02897	2.3
79.05511	3.4
80.92183	1.1
81.03417	14.6
81.07055	16.3
83.04981	10.4
83.08624	5.2
85.02905	25.0
85.06541	3.5
87.00830	12.1
91.05486	4.0
93.07043	9.3
93.65264	1.1
95.04971	4.6
95.08604	30.8
97.02893	10.6
97.06537	1.5
97.10158	2.4
99.04453	4.3
99.08114	3.0
103.03937	2.0
105.01855	10.6
105.07030	5.8
107.08588	21.3
109.02882	16.0
109.06517	10.7
109.10150	92.0
110.10511	1.5
111.04432	3.8
111.08099	4.0
113.09661	1.3
119.08577	39.8
121.10134	12.7
123.04414	1.9
123.08044	11.5
123.11696	6.8
125.02344	2.4
125.09683	1.4
127.03915	29.1
129.01796	1.8
131.04967	1.5
133.10126	18.9
135.11687	100.0
136.12029	2.5
137.09602	17.0
139.11163	1.6
145.04944	3.5
147.11673	1.9
149.13269	7.2
151.03932	5.1
151.11197	7.5
151.14801	11.0
153.12727	2.6
159.02866	1.7
165.16476	3.1
167.38905	1.0
169.04979	3.2
172.45627	1.1
175.14807	46.9
176.15126	1.3
176.37695	1.0
187.06012	2.2
189.03966	4.6
193.05045	1.1
193.15872	71.4
194.16234	2.1
211.16917	90.9
212.17210	2.9
213.03850	2.3
231.04979	5.0
253.06960	1.2
254.70929	1.0
273.06015	11.3
318.46777	1.1
339.07227	1.4
339.60535	1.0
394.24237	1.2
443.08020	1.5
461.09128	1.7
531.50653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05516	1.2
57.03435	1.0
61.02923	2.0
65.03928	0.5
65.53265	0.5
67.05499	1.4
68.99776	0.7
69.03428	1.7
69.07051	0.9
70.06596	0.6
71.42690	0.6
73.02921	1.5
79.05488	2.0
81.03406	1.1
81.07066	0.9
85.02906	2.0
91.03930	0.7
91.05484	1.7
93.07056	2.1
95.04976	0.8
95.08595	1.3
97.02908	2.7
105.07072	0.6
107.08570	0.7
109.02886	0.6
111.04460	0.7
119.04943	1.9
121.02861	13.9
121.03780	0.7
124.03958	0.6
127.03900	1.0
145.02899	0.9
145.06409	0.7
147.04460	1.6
149.05992	0.6
151.03896	7.6
161.06049	1.0
163.03925	2.4
166.08698	0.6
167.07068	0.6
167.08620	0.6
177.05493	0.9
189.05516	0.7
215.06981	1.0
226.11000	0.5
227.07051	1.8
239.07027	8.6
240.07666	0.9
241.08679	1.6
251.07043	10.1
252.07819	2.0
253.08748	2.0
255.06548	0.7
265.08630	2.4
267.06543	4.1
267.10202	0.7
269.08157	1.1
277.08676	2.4
278.09354	0.6
279.10135	1.3
281.08090	0.9
291.10190	1.1
292.10510	0.5
293.11673	0.8
295.09753	1.3
303.08356	2.4
335.16425	10.5
345.14777	1.5
361.18167	1.0
363.15863	23.0
364.16187	0.9
371.16660	0.7
375.15793	1.0
379.15387	0.7
379.19202	4.8
389.17596	3.0
391.19299	1.2
399.10861	0.8
405.05945	1.5
407.18518	26.7
408.18924	1.8
417.17328	1.3
425.19452	4.9
427.04068	0.6
435.17975	23.8
436.18518	1.3
453.19083	14.4
454.19485	0.8
471.20331	3.7
509.21356	1.1
516.97650	0.6
527.22748	24.9
528.23303	2.6
545.23785	100.0
546.24219	6.2
707.13226	0.8
707.29950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05516	1.2
57.03435	1.0
61.02923	2.0
65.03928	0.5
65.53265	0.5
67.05499	1.4
68.99776	0.7
69.03428	1.7
69.07051	0.9
70.06596	0.6
71.42690	0.6
73.02921	1.5
79.05488	2.0
81.03406	1.1
81.07066	0.9
85.02906	2.0
91.03930	0.7
91.05484	1.7
93.07056	2.1
95.04976	0.8
95.08595	1.3
97.02908	2.7
105.07072	0.6
107.08570	0.7
109.02886	0.6
111.04460	0.7
119.04943	1.9
121.02861	13.9
121.03780	0.7
124.03958	0.6
127.03900	1.0
145.02899	0.9
145.06409	0.7
147.04460	1.6
149.05992	0.6
151.03896	7.6
161.06049	1.0
163.03925	2.4
166.08698	0.6
167.07068	0.6
167.08620	0.6
177.05493	0.9
189.05516	0.7
215.06981	1.0
226.11000	0.5
227.07051	1.8
239.07027	8.6
240.07666	0.9
241.08679	1.6
251.07043	10.1
252.07819	2.0
253.08748	2.0
255.06548	0.7
265.08630	2.4
267.06543	4.1
267.10202	0.7
269.08157	1.1
277.08676	2.4
278.09354	0.6
279.10135	1.3
281.08090	0.9
291.10190	1.1
292.10510	0.5
293.11673	0.8
295.09753	1.3
303.08356	2.4
335.16425	10.5
345.14777	1.5
361.18167	1.0
363.15863	23.0
364.16187	0.9
371.16660	0.7
375.15793	1.0
379.15387	0.7
379.19202	4.8
389.17596	3.0
391.19299	1.2
399.10861	0.8
405.05945	1.5
407.18518	26.7
408.18924	1.8
417.17328	1.3
425.19452	4.9
427.04068	0.6
435.17975	23.8
436.18518	1.3
453.19083	14.4
454.19485	0.8
471.20331	3.7
509.21356	1.1
516.97650	0.6
527.22748	24.9
528.23303	2.6
545.23785	100.0
546.24219	6.2
707.13226	0.8
707.29950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
57.03430	1.7
57.89413	0.5
61.02917	5.9
61.28383	0.6
67.05509	4.1
69.03435	2.6
69.07065	1.5
69.15193	3.4
73.02913	4.1
79.05479	4.0
81.03438	1.3
81.07067	3.3
81.34272	0.6
83.08636	1.0
85.02904	5.3
87.04482	2.7
89.06042	2.0
91.03957	3.3
91.05502	2.5
93.07042	4.1
95.04967	1.0
95.08604	3.5
97.02888	4.2
97.10196	1.6
99.04451	1.5
99.36691	0.6
101.02383	1.5
105.07027	12.5
106.07372	1.0
107.08621	2.1
109.10195	1.3
117.06994	0.9
119.08556	1.2
121.06577	0.6
121.10130	1.5
124.33714	0.6
125.09659	1.5
127.01587	1.8
127.03933	1.5
130.58856	0.6
131.08585	1.6
133.08627	1.1
133.10138	0.7
135.11705	0.8
139.01549	1.0
147.08096	2.2
147.11731	0.8
153.03157	2.5
185.04062	0.7
189.11250	1.0
211.09486	1.4
225.12698	0.9
243.08501	2.5
294.42438	0.6
335.25970	0.8
347.30536	0.8
429.17154	3.8
519.29248	9.6
520.29803	0.9
566.98199	0.8
593.81964	0.7
707.39691	100.0
708.39996	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	707.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03992	0.6
50.58095	0.6
53.03945	0.6
55.01852	0.6
55.05507	2.3
57.03438	1.7
61.02919	5.6
63.31315	0.5
64.64930	0.7
67.05503	4.7
69.03422	3.5
69.07073	1.1
69.15331	4.0
69.42317	0.6
69.53959	0.5
73.02910	4.3
79.05499	3.5
81.03410	1.9
81.07051	3.9
83.04936	0.5
83.08591	0.7
85.02906	5.6
86.02744	0.5
87.04468	2.5
89.06035	1.2
91.03962	3.2
91.05489	2.3
93.07043	3.7
95.04939	0.8
95.08606	3.1
97.02902	3.8
97.10175	1.0
98.23518	1.1
98.98418	0.6
99.04464	1.1
101.02383	1.3
105.07027	11.9
105.68477	0.6
107.08609	2.4
109.02930	0.6
109.10152	1.7
119.08562	0.7
121.10141	0.7
125.09639	1.7
127.01528	2.8
127.03951	1.6
131.08572	1.1
133.08582	1.2
135.11751	0.6
139.01561	0.8
143.05858	1.0
145.10123	0.8
147.08090	2.3
153.03120	2.7
184.07323	0.7
185.04227	0.9
189.11217	0.8
208.08426	0.6
211.09465	1.0
214.30302	0.6
214.82396	0.6
243.08533	1.3
335.26141	0.6
414.34500	0.6
429.17130	3.8
513.16663	0.7
519.29211	7.7
609.44635	0.7
707.39709	100.0
708.39819	6.5
730.44287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
57.03430	1.7
57.89413	0.5
61.02917	5.9
61.28383	0.6
67.05509	4.1
69.03435	2.6
69.07065	1.5
69.15193	3.4
73.02913	4.1
79.05479	4.0
81.03438	1.3
81.07067	3.3
81.34272	0.6
83.08636	1.0
85.02904	5.3
87.04482	2.7
89.06042	2.0
91.03957	3.3
91.05502	2.5
93.07042	4.1
95.04967	1.0
95.08604	3.5
97.02888	4.2
97.10196	1.6
99.04451	1.5
99.36691	0.6
101.02383	1.5
105.07027	12.5
106.07372	1.0
107.08621	2.1
109.10195	1.3
117.06994	0.9
119.08556	1.2
121.06577	0.6
121.10130	1.5
124.33714	0.6
125.09659	1.5
127.01587	1.8
127.03933	1.5
130.58856	0.6
131.08585	1.6
133.08627	1.1
133.10138	0.7
135.11705	0.8
139.01549	1.0
147.08096	2.2
147.11731	0.8
153.03157	2.5
185.04062	0.7
189.11250	1.0
211.09486	1.4
225.12698	0.9
243.08501	2.5
294.42438	0.6
335.25970	0.8
347.30536	0.8
429.17154	3.8
519.29248	9.6
520.29803	0.9
566.98199	0.8
593.81964	0.7
707.39691	100.0
708.39996	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	708.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15000	1.3
57.07076	65.4
65.84347	1.5
73.06553	4.2
79.05482	1.6
81.90044	1.5
87.04465	24.4
89.06029	100.0
89.32856	1.5
91.05470	10.4
93.07041	7.0
95.04993	2.9
103.05439	3.3
105.07038	2.5
105.19511	1.7
107.07095	3.2
107.08537	1.9
118.07819	6.3
119.04964	3.6
119.08607	6.9
121.06494	26.1
121.10191	2.0
131.07065	10.1
133.08607	65.9
135.08047	3.8
135.11694	2.2
139.54391	1.6
147.08069	10.6
149.09630	6.4
150.06761	4.8
159.11732	1.9
165.09152	8.5
167.10641	2.3
175.09650	7.3
175.11098	3.0
177.11218	26.2
177.12743	2.0
191.10681	4.6
193.12111	2.5
209.11772	4.4
211.13330	3.2
219.12254	2.0
221.13885	5.1
222.77423	1.5
233.18959	18.9
235.13332	2.1
259.20761	3.2
265.16119	1.9
277.21606	27.2
303.23358	2.2
310.52136	1.7
321.24176	8.4
524.96613	1.6
579.33405	2.4
677.42792	1.6
691.46222	8.9
708.48822	8.7
708.99231	1.9
732.16473	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03946	0.6
60.59407	0.3
69.03437	0.9
69.12486	1.5
77.03929	1.1
81.03425	0.4
83.52005	0.3
85.02895	0.7
91.05479	0.3
92.97992	0.3
95.04963	3.8
103.05460	47.6
104.05784	0.7
105.03403	2.9
105.04486	1.8
107.04960	0.3
109.02853	0.8
127.03893	0.5
131.04918	100.0
132.05254	1.7
137.75046	0.3
149.05972	0.4
161.07512	0.3
177.01794	0.3
189.01843	0.8
191.03336	1.8
195.02904	0.4
195.50838	0.3
203.03374	0.6
205.04964	0.5
207.02794	0.8
209.04297	0.5
209.93503	0.3
213.33839	0.3
217.05043	0.3
219.02893	0.6
225.06046	0.3
251.07138	0.3
252.07784	0.3
263.06961	0.7
265.08527	1.0
267.06412	0.6
275.09219	0.4
277.08591	0.4
278.05664	2.4
279.06500	5.9
280.07092	0.6
281.08121	0.8
291.06464	8.1
292.07214	2.7
293.07422	4.7
293.10342	2.2
297.07571	1.9
303.06522	1.1
305.08069	2.8
306.08911	0.5
307.09503	0.4
309.07520	4.0
317.07941	1.0
319.05936	0.5
319.09476	0.7
321.07538	16.3
322.07846	0.6
323.09085	0.7
329.08203	0.5
331.09583	1.5
333.07455	2.9
335.09021	1.7
339.08585	1.8
345.07507	2.3
347.09177	0.7
349.10776	0.4
351.08517	0.5
357.07376	0.5
359.08929	1.0
363.08600	3.9
375.08603	2.7
379.09167	0.5
381.10294	0.4
387.08511	2.7
393.09958	1.4
399.09836	0.4
405.09561	4.1
411.10764	0.8
417.11212	0.5
423.11038	4.0
429.09344	0.7
433.10309	0.6
437.09976	0.5
441.11780	10.6
442.11624	0.4
447.11044	0.9
451.11838	1.6
463.11066	0.4
465.11737	1.3
469.12796	5.0
470.12640	0.4
477.11621	0.4
483.13043	0.7
489.11716	0.6
490.12213	0.3
507.12766	1.6
523.13794	0.5
525.14081	0.9
535.13611	0.5
543.14899	0.4
553.14697	1.2
561.16150	0.8
571.15942	6.8
572.15723	0.6
589.17035	7.2
590.17322	0.6
624.33777	0.3
673.18848	0.7
691.19281	0.8
709.21234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02163	0.2
51.02388	0.6
51.47812	0.2
51.79921	0.2
53.03933	0.6
54.56051	0.2
61.02921	0.2
69.03427	2.1
69.07472	1.4
71.39838	0.2
74.09443	0.2
77.03898	1.1
81.03416	0.3
85.02889	0.5
85.30055	0.2
91.05455	0.3
94.32813	0.2
95.04958	2.5
97.02920	0.3
98.23446	0.4
102.04655	0.4
103.05456	38.6
104.05789	0.7
105.03389	2.2
105.04491	1.2
109.02865	0.5
117.06962	0.2
127.03923	0.9
129.03366	0.5
131.04910	100.0
132.05235	1.8
147.04454	0.2
149.05930	0.4
151.03877	1.3
152.04152	0.2
161.02205	0.2
179.03247	0.2
189.01761	0.7
191.03357	0.6
203.03317	0.4
205.04836	0.3
207.02802	0.6
229.05176	0.2
251.07063	0.4
263.06927	0.4
265.08432	0.6
267.03394	0.2
267.06470	0.9
270.05566	0.3
272.06686	0.2
275.06586	0.2
275.09259	0.5
278.05740	2.4
279.06439	3.5
280.06946	0.3
281.07938	0.4
285.07599	0.2
289.08429	0.2
291.06488	7.5
291.09854	0.4
292.07169	1.8
293.10318	7.7
297.07513	2.0
303.06454	1.3
304.07043	0.2
305.07983	1.1
306.08832	0.4
307.05792	0.3
307.09320	0.5
309.07523	3.1
315.08472	0.8
317.08112	1.6
319.05899	0.2
319.09506	0.4
321.07523	11.3
322.07700	0.4
329.07983	0.3
330.08850	0.2
331.09637	1.0
333.07480	1.5
335.09058	1.8
339.08426	0.6
345.07568	1.7
347.08987	0.4
349.10416	0.3
351.08499	0.4
359.09042	0.8
363.04492	0.3
363.08606	4.7
369.07251	0.9
375.08621	2.7
381.09543	0.3
387.08597	3.4
393.10559	0.7
396.04568	0.5
397.04333	0.3
405.09702	1.8
411.09854	0.4
417.09534	0.3
421.10577	0.3
423.10672	1.3
429.09573	0.2
439.11734	3.6
441.11755	0.9
451.11636	2.1
465.11920	0.7
469.12799	6.2
470.13266	0.2
477.11975	0.3
489.11877	0.3
493.06070	0.4
493.12781	6.2
494.12793	0.5
495.12643	0.4
507.12506	0.5
517.12659	0.5
523.13892	3.0
525.13403	0.4
535.13824	3.6
536.14166	0.3
541.14844	0.3
553.14868	2.9
554.14667	0.2
559.07739	0.3
559.15936	3.6
571.15863	6.9
572.15833	0.4
589.17004	2.7
590.16711	0.3
595.15637	0.3
612.42804	0.2
613.07892	0.2
613.16925	3.0
614.17932	0.3
625.16437	0.3
637.16498	0.4
643.18170	0.9
655.17871	0.3
673.19122	1.7
691.20197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05260	1.6
56.96577	4.7
57.03431	1.8
62.25785	1.6
68.65466	1.6
69.21785	3.0
69.22188	6.6
87.04452	5.5
89.06039	4.6
91.05487	2.0
91.13589	1.4
98.97580	17.9
101.06023	2.4
110.97560	5.2
116.98554	7.9
128.98619	5.7
133.08653	3.2
138.33447	1.5
145.08588	5.6
147.04427	3.8
151.03915	7.8
158.99693	5.8
161.01303	3.8
165.94073	1.7
170.99644	4.5
177.00761	5.0
187.40703	1.6
189.00720	3.7
193.70598	1.8
198.91722	1.6
201.00781	2.4
207.06517	2.5
209.68135	1.8
219.01746	10.7
231.78839	1.9
231.81709	2.1
237.02815	14.0
279.03931	2.5
281.10696	1.6
293.66324	2.1
301.07108	1.9
347.13843	10.0
363.06067	2.8
389.14951	2.1
439.48108	2.0
491.18216	4.5
509.18918	4.6
577.18964	3.2
597.10309	3.4
623.22223	39.9
624.23090	2.4
665.12781	3.9
665.24036	69.9
666.24847	4.1
709.23071	100.0
710.23773	6.9
719.55658	2.0
738.41766	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	709.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13313	1.1
56.96569	6.1
57.03412	1.2
70.44134	1.1
72.25916	1.2
73.43359	1.2
75.29665	1.1
77.08118	1.1
84.96043	2.6
89.04036	1.3
89.06010	2.1
91.37387	1.1
98.96970	2.5
98.97578	23.5
110.97575	5.2
116.98642	9.1
123.89487	1.4
128.98572	7.2
131.37750	1.2
133.08597	1.7
134.99643	2.0
140.98628	1.6
143.00206	2.8
145.08665	1.8
146.99678	3.3
147.04503	2.1
150.68285	1.5
151.03880	7.3
152.98619	3.5
158.99681	6.7
161.01128	2.2
170.99722	5.3
177.00729	2.7
189.00693	3.4
201.00787	1.5
219.01724	11.3
226.22540	1.3
231.01801	1.6
237.02789	15.8
249.02884	1.4
261.02725	1.8
279.03992	2.2
305.95364	1.5
329.12930	2.0
347.13681	10.2
483.37262	1.4
486.68292	1.4
491.18118	4.5
509.19196	4.9
533.19043	2.0
545.18915	2.7
597.10303	3.5
605.21326	2.0
611.73993	1.4
623.22321	36.0
624.22522	2.3
665.24060	79.1
666.24762	6.1
709.23047	100.0
710.23285	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	710.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	100.0
67.46359	0.5
69.03429	0.8
69.98245	1.8
70.06570	0.7
70.28791	0.5
73.02914	2.4
73.06548	6.8
74.49503	0.6
75.21166	0.6
80.82927	0.5
86.09711	0.5
87.04464	24.2
89.06024	89.0
103.07574	80.7
104.07903	0.7
107.07048	1.5
113.05974	1.4
115.67488	0.6
117.09122	6.1
120.00167	0.6
131.07031	4.8
133.08594	51.6
138.23439	0.6
147.04407	1.1
147.10146	33.9
161.11690	1.8
167.07011	1.7
175.07465	1.2
175.09624	3.1
177.09753	1.2
177.11208	17.9
191.12744	2.2
213.71964	0.6
219.12131	1.6
221.13838	2.9
239.14784	0.6
240.04454	0.5
247.45854	0.6
259.14120	0.7
265.16360	0.7
272.09750	0.6
287.05115	0.8
309.19003	0.8
327.19745	0.8
330.02655	0.7
357.10846	0.6
370.81458	0.6
391.68994	0.7
598.67725	0.6
666.23987	0.8
693.41876	2.2
710.22955	1.7
710.45453	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	711.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96721	0.1
50.98063	0.1
57.01138	0.2
68.99776	0.2
70.02245	0.3
70.02583	0.3
70.06532	0.3
72.08109	0.3
81.03347	0.4
84.08109	0.2
85.02824	0.7
86.09659	0.2
87.00788	0.2
88.03955	0.2
89.30141	0.2
94.40096	0.1
97.02821	0.3
98.22703	0.2
105.01810	0.2
112.01531	0.2
119.04926	0.2
121.02854	0.8
127.00313	0.2
127.03819	0.6
140.00977	0.3
141.01752	0.2
146.08403	0.2
159.02802	0.2
168.00539	3.5
168.02744	0.2
186.01598	3.0
241.04720	0.2
255.06480	0.2
257.44061	0.2
258.05243	0.5
283.06052	0.2
285.03873	0.3
286.04684	53.6
287.05103	2.3
301.07037	100.0
302.07373	3.7
325.06564	0.8
333.40057	0.2
409.18396	0.6
457.24426	0.2
463.12366	3.7
463.18417	0.3
464.12518	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	711.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03926	1.3
55.01858	2.3
55.71422	0.5
58.99585	1.2
65.03934	4.5
67.05489	0.8
70.58419	0.6
75.04477	4.1
76.02234	1.3
77.03924	1.1
78.04708	3.6
79.05479	2.3
83.06098	0.5
84.04501	10.8
85.02893	3.0
86.99014	0.8
88.03983	0.5
89.03897	0.8
89.06017	0.8
90.25883	0.5
91.05473	14.0
93.02864	0.9
93.03402	11.2
93.07035	6.7
95.04967	6.5
97.06503	3.5
100.11241	0.8
103.05460	6.7
105.00068	0.8
105.03346	0.8
105.04488	1.9
105.07034	1.3
106.04167	30.7
107.04945	1.7
109.06507	1.0
111.04388	1.4
114.09153	1.0
117.03347	0.8
118.04137	0.6
119.04947	0.9
121.02917	0.5
121.06496	31.3
122.02720	9.8
122.06821	0.5
123.04420	1.5
123.08034	0.7
124.05167	1.2
125.05987	8.0
130.04988	6.2
131.04953	2.0
133.06445	0.6
134.03627	3.9
135.04433	1.0
135.07991	0.7
137.05977	4.2
138.06714	2.1
139.07545	3.1
142.03169	1.2
145.02850	1.5
147.04430	0.6
148.05179	2.9
149.05969	46.1
151.03886	1.0
151.07510	1.7
152.08282	0.9
153.05415	1.4
153.09099	13.0
158.93962	0.5
161.05954	0.9
162.01302	1.7
163.07555	2.5
166.06227	1.5
166.79530	0.5
167.07014	3.2
171.82698	0.5
177.05460	21.4
180.07829	0.9
181.08585	22.3
188.03795	1.3
190.00806	1.2
191.07027	5.1
200.37207	0.5
207.08847	0.6
208.01941	0.7
209.08072	100.0
210.08469	2.7
210.14883	0.9
223.02101	1.1
223.04213	15.7
223.06396	0.9
234.04210	1.4
239.97678	0.5
249.05440	1.9
251.06927	26.7
251.09181	6.0
271.87875	0.5
308.74304	0.5
311.75375	0.5
312.08929	4.7
369.13300	0.9
378.09943	0.7
401.15887	1.9
441.13129	2.2
552.38971	0.6
646.97290	0.5
711.49982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91125	0.7
55.05524	1.2
57.03419	0.9
59.05004	1.0
59.57177	0.8
61.02930	3.3
67.05499	2.9
69.03429	2.9
71.04984	0.8
71.42294	0.8
73.02905	3.0
74.60061	0.8
79.05494	3.2
81.03397	4.0
81.07066	3.1
83.04986	1.8
85.02912	3.6
87.04459	1.0
87.60759	0.7
91.03957	1.4
91.05483	5.8
93.07050	3.1
95.04951	1.4
95.08612	1.4
97.02902	3.3
99.04459	0.9
101.02380	1.5
103.29586	0.7
105.07025	4.6
107.04934	1.1
119.08599	1.5
119.71721	0.9
121.10178	0.9
127.03901	1.2
129.06996	0.9
131.08578	1.5
133.10144	2.1
138.05562	0.7
147.11716	2.8
149.09601	1.1
157.10144	1.2
175.11205	1.2
193.12285	1.7
240.00568	0.7
243.08392	1.6
267.16254	1.1
283.15115	3.9
309.05093	0.9
312.90457	0.8
451.19388	8.5
495.69217	1.0
501.23077	6.1
711.35596	100.0
712.35974	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	711.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.6
55.47343	1.4
57.03439	2.8
61.02925	6.6
61.54988	1.3
64.45923	1.1
67.01110	1.3
67.05502	2.1
67.14040	1.3
67.18275	1.3
69.03445	2.4
73.02919	4.0
73.06512	1.4
81.03412	8.6
81.07050	2.9
85.02914	5.9
87.04467	5.2
88.83398	1.2
89.06024	2.7
91.03967	3.1
91.05469	2.6
92.72295	1.3
93.07056	1.9
95.04979	3.3
95.69735	1.3
96.19231	1.2
97.02896	4.1
98.22633	2.6
105.07036	2.8
113.67283	1.3
119.08607	2.2
121.10152	2.7
123.16298	1.1
127.03941	1.6
128.09874	1.2
129.07091	2.2
131.08575	2.0
149.09631	1.7
150.17786	1.4
157.10158	1.8
193.12328	5.0
243.08400	1.4
283.15033	6.0
352.17474	1.3
451.19385	9.5
501.22818	6.1
518.58014	1.7
656.51837	1.4
676.55756	1.5
711.35419	100.0
712.35876	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	712.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01356	0.2
68.17329	0.2
68.99754	0.9
69.16912	1.3
79.01825	0.3
83.88487	0.2
91.05456	0.2
92.99751	0.5
103.05434	0.8
107.01288	0.2
107.04893	0.3
108.76277	0.2
110.98000	0.2
117.05740	1.8
118.06501	0.3
129.05719	0.4
130.06503	1.7
131.04907	1.4
138.01860	0.5
140.03453	0.3
140.04898	0.7
141.05751	1.3
142.05293	0.2
142.06470	0.6
143.06018	0.7
144.04445	3.2
150.01891	0.3
154.06528	1.8
155.06004	0.9
156.04367	0.3
157.05182	1.0
163.03841	0.3
166.01280	0.3
166.06499	0.7
167.05994	0.6
167.07272	0.3
168.02896	0.6
168.04410	1.7
171.04451	0.3
178.01346	20.5
179.01605	0.3
179.06036	2.5
180.06769	0.6
181.07610	4.3
182.05896	0.3
182.08372	0.3
183.05450	0.5
185.07082	0.4
187.03847	1.6
188.03415	0.3
190.01405	0.5
192.06778	0.8
193.07594	8.4
194.05936	0.6
194.08409	1.1
195.05562	0.5
196.02408	0.3
197.05946	0.5
203.06020	0.4
205.07584	1.7
206.05962	0.3
206.08246	0.2
207.05508	4.9
208.02374	0.9
208.06195	0.4
209.07086	6.0
210.05452	0.4
210.07539	0.4
212.06935	0.3
221.07080	12.1
222.05466	0.9
222.07787	1.2
225.06570	0.3
226.07353	1.0
231.05518	0.6
233.07097	2.1
235.04993	2.5
236.12804	0.2
237.06615	1.1
239.04478	0.4
248.05795	0.2
249.06578	9.5
250.04892	0.6
250.07306	3.8
253.06271	1.3
254.32132	0.2
256.06036	1.2
257.05515	2.8
261.06650	0.8
262.07056	0.3
264.06580	0.3
265.06064	0.7
277.06067	8.1
278.04089	0.4
278.06848	5.4
281.05600	0.4
282.07626	1.6
287.04501	1.7
291.07529	0.4
293.05511	3.0
295.07059	1.0
296.05573	0.9
302.06467	0.5
305.05533	33.2
306.06265	6.5
307.06827	0.3
319.07126	0.6
321.09763	0.3
323.06589	59.0
324.07059	2.7
367.10883	1.2
375.86414	0.2
379.10648	0.3
381.12463	1.0
395.10245	1.6
409.11795	100.0
410.12378	11.3
411.12909	0.6
423.09729	8.5
424.10501	4.6
425.10880	0.4
441.10794	5.6
442.11563	3.1
539.58990	0.2
643.11041	0.2
712.18915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
68.99781	0.9
69.57206	1.2
91.05444	0.5
103.05467	2.1
103.83844	0.4
109.48497	0.3
117.05715	0.8
118.06538	0.5
130.06522	2.0
131.04898	3.0
137.66734	0.3
138.01868	1.2
139.05501	0.3
140.04951	0.6
141.05750	2.3
141.06837	0.4
142.06551	0.8
143.06062	0.6
144.04456	4.3
147.04355	0.6
152.03484	0.3
154.06535	1.3
155.06104	1.0
157.05247	0.6
167.05945	0.5
168.04443	1.1
169.07513	0.4
171.04369	0.7
178.01344	20.0
178.06482	0.5
179.06033	1.2
180.02924	0.4
181.07593	5.1
183.05566	0.6
185.05876	0.4
187.03917	3.1
190.01410	0.5
193.07619	5.0
194.08426	1.5
197.05952	14.9
200.51572	0.4
203.06024	0.4
205.07622	1.4
207.05495	1.9
208.02495	0.7
208.06223	0.5
209.07086	3.7
212.07224	0.4
221.07092	5.6
222.05519	0.9
222.07849	1.5
225.05489	0.9
226.07378	1.5
233.07091	1.4
235.05049	0.9
237.06615	1.1
239.04591	0.4
249.06598	5.0
250.04984	0.6
250.07327	3.3
252.06528	0.4
253.04907	3.4
254.05722	0.6
256.06168	0.6
257.05530	2.0
261.06580	0.8
262.07440	0.7
265.06064	0.5
266.04742	0.4
269.04456	0.7
269.10724	0.4
277.06070	4.0
278.04425	0.8
278.06894	5.3
280.05905	0.5
282.07626	3.2
287.04468	0.6
293.05554	4.5
293.10623	0.7
296.05588	1.2
297.57446	0.4
300.10095	0.4
305.05557	14.8
306.06375	5.4
308.05606	0.5
311.11789	0.6
321.10141	1.0
322.11121	0.4
323.06589	22.6
324.07242	1.2
325.09796	1.7
338.10480	0.6
339.11270	1.8
349.09842	0.8
350.10321	0.4
351.11328	0.4
353.09305	0.6
355.10916	0.4
367.10764	5.5
379.10620	0.8
381.08759	0.8
395.10257	27.4
396.10687	1.5
409.11798	16.1
410.12561	6.5
415.48337	0.4
423.09726	100.0
424.10312	11.3
425.11166	1.1
441.10782	50.1
442.11456	7.7
605.68970	0.4
712.20007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02389	0.5
65.03946	4.6
67.05504	1.7
69.03432	1.6
70.06580	0.6
70.58916	0.9
81.03425	0.7
83.04983	1.2
85.02917	0.9
89.03909	4.2
91.05461	0.7
93.03399	5.6
95.04947	0.5
97.02892	64.6
98.03185	0.9
103.05479	0.6
106.04172	0.6
106.54873	0.4
110.03667	0.5
111.04420	1.4
117.03381	14.5
119.04906	0.6
121.02886	2.0
121.06493	1.3
121.75072	0.4
124.05209	0.6
125.02375	0.8
125.05965	1.1
127.03873	0.8
128.06223	1.3
129.07001	3.9
134.03641	0.9
135.04411	1.1
137.05995	0.7
139.03900	0.6
139.05379	0.5
141.07001	2.2
145.02841	46.8
146.03166	0.9
147.04443	0.6
149.02324	5.9
149.05966	5.3
151.03926	2.0
157.06503	5.2
161.05956	0.9
163.07513	0.9
167.03403	34.3
167.04803	1.8
168.03780	0.7
169.06514	1.8
174.06824	0.7
177.05466	100.0
178.05745	2.0
184.05162	0.5
185.05927	1.6
186.05382	0.5
187.07521	0.8
188.08313	1.5
189.05400	0.9
189.09085	5.8
199.07553	5.1
201.05527	0.4
207.06580	1.2
212.04810	0.5
213.05424	1.1
215.07018	0.9
217.08582	5.6
227.07013	3.7
245.08087	9.9
255.06441	0.8
256.29538	0.5
263.09119	0.6
273.07477	2.8
291.08615	27.2
292.09155	1.0
309.09637	4.1
345.08215	0.5
423.06250	0.5
425.10590	0.7
527.24225	0.4
557.15051	5.5
558.14569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
55.01880	0.5
55.05519	0.6
57.03448	0.4
65.03941	5.0
67.05509	1.8
68.99798	0.6
69.03430	1.9
70.86256	0.3
72.26261	0.4
76.94577	0.4
79.05508	0.7
81.03403	1.4
83.04983	3.8
85.02901	6.6
87.00833	0.5
91.05474	17.2
93.03399	4.2
95.04972	0.9
97.02886	80.2
98.03207	0.9
98.23414	1.0
101.03989	0.4
107.04910	0.5
109.02843	1.0
111.04439	2.6
117.03352	0.5
119.04933	24.4
120.05304	0.6
121.02839	1.9
123.04428	1.1
125.02340	1.3
127.03889	1.1
129.03368	0.5
129.05469	1.5
129.07002	0.6
129.72896	0.4
131.04921	0.8
131.08546	1.3
132.02071	1.0
139.03876	1.1
140.04694	1.8
141.06972	2.0
144.05704	2.3
145.02826	1.5
146.03642	0.6
147.04399	23.2
148.04822	0.4
149.02332	7.4
154.06244	1.6
155.07004	2.4
157.03955	3.4
157.06464	0.6
159.08034	1.9
164.04681	0.8
167.03387	39.6
168.03691	0.7
169.06494	1.9
171.06503	5.2
173.06021	0.7
175.03896	42.7
176.04271	1.3
177.05467	3.6
179.07037	1.8
181.04951	3.4
185.05894	0.4
185.19499	0.4
187.07530	4.6
189.07590	2.9
192.04207	0.6
197.05980	2.0
200.04688	0.5
207.06506	100.0
208.06815	2.1
214.06195	0.9
215.06976	2.0
218.09380	1.3
219.06528	3.2
219.10135	3.8
229.08554	5.6
243.06532	1.0
247.09610	4.2
257.08105	3.6
275.09097	15.8
275.12109	0.9
276.09460	0.8
279.11075	0.4
285.07556	0.5
303.08652	5.8
321.09659	24.6
322.10236	0.5
339.10690	4.5
355.10263	0.4
455.11633	0.7
587.15863	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	712.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69016	0.4
52.52687	0.4
53.03938	1.1
53.33755	0.4
55.05505	3.5
56.96601	0.4
57.03443	2.0
61.02919	2.2
67.05502	0.5
69.03432	2.1
70.99462	0.5
71.04990	28.6
75.04478	2.4
81.03423	1.0
83.04978	16.9
85.02904	10.2
87.04454	3.5
89.03899	2.8
89.06021	0.9
91.05463	0.9
92.21789	0.5
97.02872	4.5
99.04425	1.1
111.04438	33.1
112.04768	0.6
113.05998	13.1
115.03892	2.0
117.03374	9.3
117.05481	6.7
119.04926	1.1
125.06044	0.4
127.03878	1.3
129.05470	44.2
133.08562	0.5
134.03635	0.6
135.04408	1.2
137.05968	1.0
145.02843	37.5
146.03212	0.7
147.04329	0.5
149.05994	4.6
151.07478	0.6
153.05504	0.8
171.05060	0.9
171.06522	17.0
175.03865	0.8
177.05458	100.0
178.05817	2.3
180.66708	0.4
187.67297	0.5
189.07568	65.1
190.07881	1.0
195.06505	1.4
207.06532	1.6
277.10590	0.5
279.12048	0.6
287.09015	0.9
305.10446	0.8
321.09686	0.9
339.10712	21.5
340.11081	0.7
365.12283	1.0
419.13361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.5
57.03424	1.6
61.02913	0.8
64.46272	0.5
65.03931	0.7
67.05492	1.7
69.03421	5.1
69.12469	4.2
70.06587	1.5
71.04996	0.7
81.03416	0.8
83.04977	42.7
84.05327	0.7
85.02901	100.0
86.03236	1.1
87.04477	0.9
89.03915	2.1
97.02884	1.8
98.22697	1.1
99.04449	0.9
101.06036	0.8
103.05431	1.0
104.33363	0.6
111.04435	28.7
117.03383	3.8
118.84333	0.6
125.98046	0.6
127.03911	6.0
129.05470	13.6
131.04913	1.7
145.02835	14.0
147.04395	2.7
149.05959	1.9
151.07538	1.1
171.06519	79.9
172.06844	1.7
175.60971	0.6
177.05463	55.8
178.05814	1.5
181.05118	0.8
189.07570	46.0
195.06520	0.9
221.04381	0.6
267.62372	0.6
306.66220	0.7
321.09662	0.8
339.10715	14.7
339.14682	0.9
365.12219	0.8
374.07190	0.7
406.12357	1.5
509.16040	1.2
636.11768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.9
51.02365	2.7
52.28513	0.8
53.03937	0.8
55.05498	2.2
57.07066	0.8
59.04984	0.8
65.98917	0.8
67.05499	4.0
69.07054	1.9
73.02906	1.2
74.78284	0.9
78.03452	23.0
79.05483	4.8
80.05011	2.6
80.61601	0.7
81.03416	6.3
81.07052	4.1
83.04967	2.2
87.04490	1.9
89.06024	1.9
91.05480	7.7
93.07047	5.3
95.04940	2.7
95.08594	5.7
96.04493	8.4
97.02868	0.8
98.23443	2.0
103.05433	1.3
105.03391	3.4
105.07027	16.2
106.02911	100.0
107.03245	1.2
107.04925	1.1
107.08574	6.3
109.06577	1.8
109.10137	1.7
111.04450	2.7
117.07011	3.0
119.08572	11.4
121.06530	2.1
121.10125	5.0
123.08077	1.3
124.03944	79.1
125.04276	2.9
125.06029	0.7
127.03873	3.8
127.42058	0.7
128.06207	1.6
129.07018	2.2
130.07788	0.9
131.08546	6.9
133.06415	1.6
133.10114	7.7
134.07288	2.3
135.08044	2.2
137.05957	1.0
137.09648	1.1
137.20026	0.7
140.00809	0.7
141.06958	2.0
141.44420	0.9
142.07791	2.8
143.08589	4.9
144.09296	1.1
145.10094	12.9
147.08049	2.2
147.11691	4.9
149.09581	1.4
151.07587	1.0
154.07729	1.0
155.08557	4.2
156.09320	4.1
157.10106	9.1
158.10919	2.2
159.08034	1.8
159.11667	7.5
161.09647	2.4
161.13211	1.0
165.07011	1.0
167.08574	2.3
168.09297	1.3
169.10106	5.3
170.10899	4.4
170.45108	0.9
171.11659	4.8
172.12476	2.5
173.09630	2.9
173.13274	6.6
175.11166	1.7
175.14777	1.1
178.08679	11.0
179.08658	1.5
180.09308	1.0
181.10126	1.4
182.10950	2.0
183.08052	1.0
183.11662	8.3
185.09642	1.5
185.13274	4.4
187.11214	4.1
187.14828	10.3
188.12045	2.1
188.15575	1.0
189.09192	1.0
192.09370	2.5
193.10144	2.9
195.11702	3.3
196.12408	1.2
197.09564	1.1
197.13245	8.3
198.13991	4.1
199.11247	1.5
199.14839	0.9
201.12752	1.9
203.14285	4.6
205.15910	1.2
206.08154	1.4
207.11731	3.1
209.09613	0.9
209.13292	2.7
211.11209	1.4
211.14856	2.3
215.10753	1.7
215.14311	3.8
216.15079	1.4
219.11639	1.9
220.12444	2.0
221.13367	0.9
223.14748	0.9
224.09169	21.4
225.12793	1.6
225.16472	1.4
229.12433	0.9
231.10027	0.9
234.14017	1.2
235.14764	1.9
239.10838	1.3
239.17906	1.6
249.16264	1.8
251.18129	0.8
253.12007	1.3
253.15907	1.9
267.13934	1.0
267.17438	2.8
271.16919	1.6
277.15909	1.8
285.15198	1.0
285.18546	2.3
295.16965	9.8
313.17966	10.0
314.18365	1.1
355.18704	0.9
393.34305	0.8
536.26349	1.7
550.40851	1.0
596.28583	1.2
597.46924	0.7
652.31250	2.3
712.33167	80.6
713.33221	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	713.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
53.53527	0.6
53.85085	0.6
55.05496	2.8
56.05021	4.7
57.07054	0.8
57.76483	0.6
58.99578	1.2
60.04519	1.5
60.61645	0.6
67.05492	3.5
67.24278	0.7
68.05013	1.3
69.03426	8.3
69.07045	1.2
70.02953	1.8
70.06589	1.7
76.02213	1.6
79.05492	3.6
80.05015	2.3
81.03403	5.1
81.07046	5.9
82.05312	0.8
82.06552	1.5
83.04979	6.4
83.06087	1.5
83.08601	0.7
84.04496	26.4
85.02907	1.3
86.00640	1.9
87.04426	1.7
88.02202	3.2
88.03985	26.2
88.04520	1.6
89.06026	1.4
91.05471	5.5
93.07032	5.8
95.04963	2.5
95.08593	5.6
98.06068	1.2
103.05440	0.7
104.10687	0.6
105.07015	8.2
107.04907	0.8
107.08578	5.3
108.04445	1.5
109.06493	0.9
109.07628	1.8
109.10172	1.9
109.13302	0.6
110.06044	2.3
110.63675	0.8
111.04427	8.5
112.07565	1.9
115.05408	1.1
116.01586	0.8
116.03425	1.9
117.07034	4.9
119.08576	9.9
121.06549	1.2
121.10133	2.8
122.02724	2.5
123.02667	0.7
125.07106	7.2
126.05484	1.9
128.06198	1.6
129.07011	3.6
130.05002	19.1
130.07755	1.9
131.08557	10.8
132.01134	4.4
133.10135	6.0
134.02733	1.3
135.08047	1.7
135.11688	1.3
137.04121	0.7
137.05963	0.7
141.06914	1.7
142.03207	1.4
142.07755	2.0
143.08562	7.0
144.09312	1.4
145.10115	35.7
147.08051	1.7
147.11635	1.4
153.06595	1.3
154.04973	5.7
154.07722	0.8
155.08492	4.2
156.06564	2.6
156.09326	2.4
157.10104	9.7
158.10851	2.3
159.11670	13.6
161.09576	1.1
161.13257	1.8
165.07062	0.8
167.08566	2.5
168.09303	1.5
169.10115	4.8
170.10857	2.0
171.07639	19.4
171.11656	5.6
172.06064	1.2
172.12454	5.7
173.09474	1.3
173.13231	2.9
175.14774	0.9
179.08560	1.1
180.09358	1.1
181.10110	4.4
182.10861	1.6
183.11656	5.3
185.09595	0.8
185.13251	8.8
187.14803	100.0
188.03712	1.4
188.15129	2.6
193.10098	2.7
194.10889	1.7
195.11662	4.5
196.12407	2.5
197.09579	0.9
197.13257	4.8
199.07115	1.4
199.14841	3.2
200.05507	3.0
201.12729	0.8
203.08711	0.8
205.09988	1.6
207.11681	3.2
209.09647	0.9
209.13274	4.6
211.14784	7.3
213.16399	1.8
215.14284	1.8
217.08192	36.2
219.11899	2.5
220.12347	1.3
221.13368	1.3
222.13916	0.9
223.11235	1.3
223.14807	2.7
225.16342	1.4
231.04305	0.9
233.05951	1.6
233.13235	1.0
234.04305	0.9
235.14848	4.8
237.12720	1.3
237.16388	1.6
249.05424	1.9
249.16429	0.9
251.06914	2.1
251.17905	2.4
253.15932	2.3
261.16440	1.7
269.19229	1.0
278.18936	1.1
279.17480	7.3
297.18472	24.5
298.18652	1.6
308.16718	1.3
315.19409	1.9
343.09763	1.3
400.19287	2.1
418.20459	6.9
469.19965	0.9
506.25427	2.5
511.22717	3.4
524.26288	2.0
529.23541	10.6
547.24707	7.4
565.25806	1.0
591.30707	0.9
599.27423	1.4
610.69189	0.9
617.28796	12.9
618.29010	0.9
635.29871	4.2
677.31042	9.4
678.31647	1.1
695.31976	4.7
713.32654	8.1
714.31952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
52.03160	0.3
53.03947	0.7
55.01873	0.9
57.03448	0.2
61.02920	0.3
65.03628	0.3
65.03937	2.2
67.05508	1.3
69.03426	2.4
70.06602	0.2
71.04987	0.3
73.02893	0.2
77.03938	0.3
78.03446	0.8
80.02622	0.3
81.03413	5.5
85.02903	2.9
87.00833	0.8
89.81771	0.2
93.03401	1.2
95.04958	1.2
96.04487	49.3
97.02889	2.4
97.04820	0.6
99.04441	0.6
105.01873	0.4
105.04509	0.2
108.02095	1.9
109.02877	3.3
110.03680	0.4
111.04444	2.3
123.04400	0.5
125.02328	0.2
125.05993	1.8
127.03899	3.1
129.01848	0.3
136.01538	0.4
136.07564	1.9
141.05463	1.8
145.04967	0.7
147.02925	0.2
151.03900	100.0
151.04971	7.4
152.04257	1.5
154.08615	18.9
155.08955	0.3
159.02876	0.6
169.04956	6.6
180.37083	0.2
193.04967	0.3
211.06055	0.2
213.03935	0.5
230.34215	0.2
231.05016	0.7
253.07031	0.5
265.88898	0.2
295.08093	5.1
313.09164	5.6
313.12347	0.2
399.09146	0.5
402.13882	4.1
525.12860	0.2
543.13287	0.4
561.14075	0.4
628.06671	0.2
714.21619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
51.95986	0.4
52.71061	0.5
55.01861	0.9
61.02930	0.6
63.13700	0.5
69.03419	1.6
69.44188	1.0
69.44586	1.6
70.06581	1.8
79.05479	1.2
81.03434	1.2
81.07063	0.7
83.04891	0.5
84.04447	0.5
84.08133	1.6
85.02899	5.0
86.09691	1.2
91.05482	2.2
94.04174	2.3
95.04961	0.7
97.02881	1.9
98.73755	0.5
99.04489	0.6
103.05440	1.1
105.03271	0.6
105.07012	4.9
107.04912	0.6
109.02876	0.7
109.06508	1.7
115.05435	2.7
117.03376	0.7
117.07009	1.0
117.38148	0.4
119.04939	0.8
119.08593	1.6
121.06516	1.1
122.03638	5.6
127.03915	2.2
128.06174	0.7
129.07001	1.3
131.04944	1.6
132.05707	1.3
133.06497	4.9
137.02379	7.4
137.05966	100.0
138.02679	2.3
138.06305	2.3
144.05728	0.7
145.02858	0.9
145.04907	0.7
145.06462	0.9
147.04393	1.0
147.08017	2.9
149.05904	2.2
151.07524	1.4
155.04897	1.2
159.08067	2.7
160.05182	1.4
161.05975	14.4
161.80289	0.5
163.07521	1.0
169.06371	0.7
171.65530	0.6
172.05252	0.8
175.07533	22.2
177.05463	2.1
179.03407	1.3
179.07057	1.6
184.05191	0.8
187.05997	0.9
187.07530	8.9
189.09096	1.0
190.07707	2.0
191.08568	8.8
199.07558	4.5
201.06940	0.8
202.07765	1.3
203.03491	0.6
203.08568	2.9
205.06839	0.5
208.08766	0.7
217.08600	1.9
218.07268	1.8
219.06041	0.9
219.08043	12.8
220.08775	2.4
231.08044	3.8
232.08849	0.8
233.09645	1.0
235.07500	1.2
236.08344	2.7
246.06789	0.7
247.07532	7.3
248.08267	2.1
249.08887	0.6
251.10663	25.5
252.11040	1.2
259.07516	3.0
260.08377	1.0
261.09003	1.1
263.10736	2.7
264.07721	1.7
265.08643	0.9
276.07745	1.4
277.08566	1.1
279.10162	14.8
280.10742	1.8
281.08063	1.2
281.11658	0.6
288.05673	0.6
291.10138	6.6
292.10788	2.1
296.10349	1.6
297.11063	0.5
305.06680	1.3
306.06863	1.8
308.10333	0.8
311.12747	56.9
312.13077	2.8
323.12753	20.8
324.13037	0.9
324.81808	0.5
325.14233	1.0
341.13785	8.8
503.19150	2.6
618.26129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58449	1.5
55.01854	2.3
55.05496	3.5
58.99578	4.2
59.25331	1.6
65.03926	1.8
67.05507	7.0
69.03426	13.8
70.02954	14.6
70.06595	16.1
71.04971	1.4
74.00655	5.1
74.02414	2.3
76.02216	4.1
76.04016	9.7
79.05481	6.4
80.05026	3.5
81.03422	12.3
81.07035	8.1
82.06562	2.8
83.04977	8.2
83.06069	4.2
84.04500	16.6
84.08150	2.1
85.02916	3.3
86.00652	2.3
88.02219	8.7
88.03976	2.0
91.05476	10.6
93.07053	7.9
95.04961	5.2
95.08595	5.0
97.01069	2.1
97.02875	1.6
97.06507	2.6
98.22699	5.6
99.05550	6.4
100.02199	10.2
101.00530	1.6
102.03772	3.0
105.07014	13.0
106.06560	2.9
107.04965	2.6
107.08601	8.2
108.04457	1.9
109.06522	3.3
109.07632	2.4
110.06027	2.1
111.04427	3.9
112.02197	7.4
112.07583	2.8
113.06001	3.6
114.03756	17.2
115.02166	2.1
115.05463	2.5
116.01654	9.6
117.06976	6.1
119.08571	14.7
120.08110	1.8
121.02824	2.9
121.06522	4.8
121.10158	2.7
123.08042	1.9
125.07081	1.5
126.03712	3.8
128.01608	1.5
128.06250	2.3
129.06688	6.6
130.04997	9.3
131.04884	3.1
131.08551	11.8
133.06493	4.0
133.10121	9.7
137.05991	1.5
137.09589	1.5
138.03703	1.7
139.03311	1.5
140.05264	7.2
141.04787	1.5
141.06958	4.5
142.03183	1.9
142.04990	2.3
142.07755	5.8
143.02640	1.7
143.08578	12.4
144.01196	1.8
144.08145	1.8
144.09293	2.5
145.06071	50.7
145.10107	11.6
146.07387	1.7
147.08034	5.6
147.11716	2.1
153.06685	4.8
154.07753	2.4
155.08395	9.2
156.09322	4.9
157.10101	14.5
158.07243	1.9
159.08043	6.5
159.11667	6.0
161.09592	8.5
162.02242	1.8
163.11172	5.3
165.06996	5.0
167.08546	6.7
168.09306	7.9
169.06192	4.4
169.10089	8.2
171.08017	3.0
171.11717	7.0
173.09669	7.9
173.13239	7.7
175.11136	4.8
179.08540	4.8
180.06612	2.1
180.09325	2.1
181.06082	2.4
181.10141	7.3
183.07996	2.8
183.11665	14.3
185.03763	6.0
185.09618	2.9
185.13252	3.6
187.11172	11.0
189.03415	1.7
189.12640	1.5
192.06627	2.5
193.10126	6.9
194.10820	3.6
195.11670	4.3
196.08826	1.8
197.13174	3.2
199.07220	4.0
199.11092	2.2
201.12730	3.3
203.04868	3.2
207.11687	3.7
209.09659	2.6
209.13248	3.8
211.07146	1.9
211.11201	3.3
213.08754	3.1
213.12785	3.4
215.08879	2.8
217.06387	8.7
219.11861	1.7
220.09413	1.9
223.11278	1.8
225.12735	2.9
227.14272	2.9
229.12080	2.0
231.04317	11.6
237.12611	2.3
243.08011	1.8
255.13806	8.6
257.07620	9.1
258.13010	3.5
267.08054	1.5
273.14825	28.3
274.10364	5.4
274.15332	1.8
285.04132	1.6
292.12811	1.8
361.15472	2.8
366.16925	2.1
368.16812	2.3
379.16895	3.5
386.17709	5.7
394.79001	1.5
404.18793	6.8
405.06009	2.4
471.19318	16.5
479.20105	5.3
485.72668	1.7
489.20541	72.5
490.20456	4.5
497.20966	9.5
507.20639	5.0
515.21985	4.7
525.20355	13.9
534.63422	1.6
543.21808	10.3
556.24689	3.0
561.22839	14.2
574.25928	11.3
582.22412	4.7
600.23584	31.1
618.24750	100.0
619.24774	8.9
636.25500	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	714.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42048	0.6
50.42535	0.5
53.03940	4.2
53.91341	0.6
55.01867	3.4
55.05503	1.0
57.03437	4.2
57.07070	0.9
61.02923	4.0
67.05495	4.1
67.53651	0.7
68.99790	1.7
69.03425	24.7
69.03804	1.5
69.07063	1.8
69.32359	0.7
70.02942	1.2
70.06590	2.0
70.42606	1.4
71.04984	2.2
73.02908	6.4
74.90414	0.6
76.17969	0.6
79.05489	10.0
81.02957	1.2
81.03416	17.0
81.07053	100.0
82.07404	1.2
83.04974	1.6
84.04509	1.1
85.02901	59.2
87.00826	25.9
87.01383	0.7
87.04473	1.1
91.03948	1.1
91.05470	0.9
93.07053	1.9
95.04989	1.1
95.08596	14.9
97.02892	31.1
98.22698	0.7
99.04451	7.8
99.05540	0.9
101.02340	0.7
103.03983	1.3
105.01865	57.0
105.07018	1.4
109.02875	26.2
109.10161	0.7
111.04410	0.8
115.03922	1.6
117.01846	1.9
119.08598	1.0
123.04392	0.8
127.03908	55.0
128.04239	0.8
129.01862	2.0
131.08533	0.8
137.06067	0.8
137.13255	18.0
145.04971	23.9
145.06100	6.0
145.10091	1.2
147.02893	2.0
147.04428	0.7
156.19380	0.7
157.10091	0.7
159.02888	8.1
159.11691	0.8
161.13242	0.7
171.11609	0.8
173.13298	2.8
177.04042	0.7
177.05493	0.9
181.04922	1.1
183.11681	1.3
189.03891	2.7
191.41495	0.7
193.04964	0.8
199.05910	0.8
201.05681	0.7
213.03943	9.3
223.06078	2.1
231.04988	31.4
241.07086	1.6
249.06049	18.4
249.08659	1.0
253.07127	2.6
271.08124	2.5
273.06039	2.7
273.14981	1.1
302.34760	0.7
327.07257	1.2
345.08151	1.6
357.08011	1.7
363.09216	2.8
375.09064	1.5
391.26761	0.7
393.10138	4.6
411.11414	1.8
471.19775	0.7
479.20016	0.9
489.20233	4.2
600.23950	1.0
618.24658	4.1
636.26276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91392	0.2
59.05003	1.5
67.12597	0.2
67.44851	0.2
69.03439	0.2
69.45097	1.0
70.06595	1.2
71.04980	0.5
73.02919	1.7
73.06563	1.1
78.99509	0.6
81.07079	0.2
85.13613	0.2
87.04467	100.0
88.04810	0.8
89.06028	5.3
103.07593	1.3
109.02935	0.2
113.00029	1.9
113.06009	0.2
115.07597	0.5
117.09122	1.2
117.49373	0.2
121.02845	0.4
127.01566	16.3
131.07051	3.6
133.08609	2.9
139.01543	6.0
147.10162	0.6
153.03116	18.7
159.10187	0.4
161.11775	0.2
175.09676	0.9
177.11230	0.8
183.04189	2.4
197.05742	8.4
218.79700	0.2
219.12241	1.9
227.06728	1.1
241.08357	2.0
259.09311	0.2
271.09393	1.0
285.10999	0.7
303.12183	0.4
315.12021	0.6
329.13724	0.3
347.14667	0.4
386.07880	0.2
391.17603	0.3
404.07877	0.2
405.06058	1.3
435.19855	0.3
490.37006	0.2
573.19720	0.2
655.32202	0.3
697.33844	0.7
714.49945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	0.6
54.82747	0.6
64.25953	0.5
71.43491	0.7
73.06544	1.1
79.05469	3.2
81.07078	0.9
87.04463	100.0
88.04820	1.1
89.06010	3.4
91.05478	3.1
91.57968	0.6
93.07032	1.5
95.04968	3.2
103.05474	3.8
105.04559	0.9
105.07024	58.6
106.07356	2.5
107.04932	0.8
117.06980	0.7
119.04904	1.2
119.08578	1.8
121.06477	6.1
122.06814	0.7
122.43500	0.6
128.06210	0.7
129.06984	1.3
131.07033	2.9
131.08562	3.0
133.08580	1.5
137.09508	0.6
138.77917	0.6
147.08032	10.4
149.09607	2.2
165.09137	0.7
181.10031	0.8
181.34895	0.6
184.07349	1.1
194.12669	0.6
219.12279	3.0
223.11214	0.6
225.12737	6.0
249.12733	1.3
251.14317	1.2
264.75354	0.6
269.15259	1.2
313.18015	0.8
373.21765	1.6
681.57361	0.7
714.41827	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	714.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.8
60.04468	0.7
64.30979	0.7
67.05506	0.8
67.52198	0.7
68.89401	0.8
79.05499	3.8
81.07081	1.2
86.09717	0.8
87.04465	100.0
88.04840	0.9
89.06020	2.9
91.05470	3.3
93.07064	1.6
95.04965	2.3
95.08578	1.1
97.61477	0.8
103.05477	4.4
105.07027	58.8
106.07348	2.4
117.07031	1.0
117.54935	0.7
119.08546	1.8
121.06481	6.8
129.07019	1.4
131.07040	3.0
131.08563	2.5
133.08575	1.3
146.79315	0.7
147.08047	12.3
149.09637	3.1
165.09084	0.9
173.09674	0.8
184.07304	1.3
219.12302	2.4
225.12769	4.9
249.12672	1.5
251.14394	2.1
373.21854	1.5
567.55560	0.8
622.39185	0.8
633.58606	0.8
714.41986	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	715.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03951	1.1
62.28867	0.2
64.30589	0.2
66.42077	0.2
68.99803	1.3
70.06579	0.4
71.01332	0.3
71.41084	0.2
73.02917	0.4
77.03918	0.8
83.16325	0.2
85.02884	0.6
95.04971	5.3
103.05463	1.1
105.03391	29.3
105.04420	2.6
106.03723	0.5
111.00731	0.2
112.08752	0.2
113.02348	0.2
123.00825	0.4
129.03386	0.4
130.33127	0.2
131.04918	0.6
139.00253	1.9
147.04454	0.5
168.00522	1.3
177.01779	0.3
185.00826	0.3
186.01610	0.8
205.01337	1.1
214.99780	0.3
216.00427	0.2
217.01189	0.2
223.02327	0.4
225.05464	0.2
233.00793	1.7
241.02490	0.4
241.04935	6.4
242.05559	0.6
242.99278	0.6
245.00829	0.7
253.04924	0.3
261.00287	1.7
263.06653	0.2
269.04407	2.6
270.05212	7.3
271.05988	8.3
272.06387	0.5
273.00198	0.4
279.06595	0.7
288.99780	4.3
289.05090	0.5
290.00449	0.2
291.01413	0.4
291.06543	0.2
295.05719	0.4
298.98187	0.4
307.05960	4.2
307.09219	0.3
308.06454	0.2
309.07605	0.3
316.99176	1.0
317.04465	0.6
319.05981	0.8
321.04089	0.2
334.04773	0.3
335.00269	0.2
335.05307	0.9
345.03839	2.0
347.05554	0.6
360.06628	0.2
363.05005	2.7
373.03488	0.7
375.05118	0.4
391.04486	5.2
391.09586	0.3
392.05048	2.1
393.05969	4.8
419.03986	10.2
420.04208	0.6
437.04935	0.5
449.10202	0.2
465.09579	0.6
493.09070	0.4
521.08154	0.3
539.09711	100.0
540.10010	8.0
563.10559	0.2
613.51172	0.2
697.11517	0.8
715.13074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03941	1.4
55.89791	0.3
57.98330	0.3
68.99782	2.5
70.06583	0.8
71.43286	0.3
73.02879	0.3
77.03929	1.0
85.02898	0.4
90.45408	0.3
95.04974	7.1
99.83585	0.4
103.05463	1.9
105.03395	40.2
105.04414	2.8
106.03734	0.5
129.03380	1.0
131.04948	1.4
139.00244	2.1
147.04413	0.8
165.01932	0.5
168.00595	0.5
177.01820	0.4
186.01614	0.9
205.01390	1.7
207.02933	0.5
213.05524	0.4
223.02444	0.6
233.00885	1.3
241.04944	5.1
242.99261	0.6
253.04999	0.8
261.00369	1.7
263.01877	0.4
267.06528	0.6
267.68726	0.4
269.04477	3.0
270.05191	4.9
270.98840	0.4
271.05997	8.6
273.00528	0.4
279.06592	1.4
281.04495	0.4
283.06003	1.1
285.91928	0.3
288.99744	2.5
289.04886	0.7
293.04416	0.5
295.05917	0.6
307.06009	5.0
308.67233	0.4
309.07874	0.4
316.99292	2.1
317.04382	0.7
319.06119	0.8
321.04044	0.8
335.05502	3.4
336.05450	0.4
337.03540	0.6
339.04938	0.5
345.04059	2.1
347.05493	0.9
355.04352	0.4
363.04813	2.8
373.03604	1.7
375.05038	1.2
391.04529	4.9
392.05341	1.0
393.05984	8.6
401.02820	0.9
404.22922	0.4
419.03964	21.2
420.04361	1.2
437.04880	0.5
465.09860	1.4
493.09070	0.4
521.08612	1.1
522.86578	0.4
539.09735	100.0
540.10022	5.3
673.59674	0.4
715.12671	1.3
715.26801	0.4
720.29358	0.4
737.91107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
51.02378	0.5
53.03945	1.3
53.75760	0.2
62.36897	0.2
63.05796	0.2
68.99786	2.0
70.24910	0.5
73.02912	0.3
77.03941	0.7
81.07081	0.2
85.02901	0.4
89.63882	0.2
92.98194	0.2
94.99574	0.2
95.04963	6.5
98.22736	0.2
103.05442	1.2
105.03389	33.1
105.04410	2.7
106.03727	0.6
123.00789	0.3
129.03391	0.8
131.04904	0.7
139.00267	2.3
147.04399	0.7
162.54521	0.2
165.60487	0.2
168.00566	0.7
173.06032	0.3
177.01802	0.6
181.01390	0.2
186.01599	0.5
187.00281	0.4
189.01900	0.2
193.01280	0.2
205.01266	1.4
207.02989	0.2
223.02406	0.5
225.05553	0.4
233.00836	0.8
241.04921	4.7
242.05678	0.2
242.99135	0.5
245.00819	0.3
251.01822	0.2
253.05052	0.8
261.00336	1.3
265.04871	0.2
267.06503	0.5
269.04440	2.8
270.05212	4.6
270.08054	0.3
270.98779	0.4
271.05984	7.3
273.00302	0.3
279.06537	1.4
281.04471	0.7
283.05930	0.9
288.99747	1.4
289.04797	0.4
291.06479	0.4
293.04245	0.2
295.06094	0.5
297.07614	0.2
298.98273	0.3
306.04953	0.2
307.05981	5.1
308.06573	0.2
309.07608	0.5
311.05634	0.4
316.99255	2.6
317.04398	0.8
319.06058	0.7
321.03949	0.6
323.05466	0.3
335.05475	3.1
337.03397	0.7
339.05072	0.4
345.03931	2.2
347.05652	1.1
355.04578	0.3
363.05026	2.8
373.03519	2.0
375.04776	0.9
391.04529	4.1
392.05112	0.7
393.06003	7.4
394.06427	0.6
401.02982	0.7
419.03946	18.0
420.04352	0.8
437.05099	0.3
437.10629	0.2
449.10263	0.3
451.97455	0.2
465.09500	1.0
475.08392	0.4
493.09076	0.7
503.07550	0.4
521.08569	1.2
539.09698	100.0
540.10022	7.0
715.12036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
51.02372	0.5
53.03946	1.1
60.48595	0.2
68.99795	1.9
69.82233	0.5
69.82580	0.2
70.06570	0.3
73.02925	0.3
77.03928	1.3
81.03383	0.3
85.02900	0.6
91.06885	0.2
95.04970	6.0
103.05475	1.4
105.03394	33.1
105.04425	2.8
106.03728	0.9
106.04861	0.2
123.00792	0.6
125.03117	0.2
129.03412	0.5
131.04903	0.5
138.25439	0.2
139.00273	2.3
140.01012	0.2
141.06944	0.2
144.71359	0.2
147.04411	0.5
149.02361	0.2
168.00533	1.1
169.01395	0.3
176.11845	0.3
177.01851	0.4
186.01633	0.8
198.59511	0.2
205.01318	1.3
213.05492	0.2
214.99776	0.6
217.01291	0.6
223.02316	0.3
225.05635	0.3
233.00798	1.4
241.02510	0.4
241.04951	6.9
242.05530	0.6
242.99275	0.8
245.00858	1.2
251.01982	0.2
253.05118	0.3
261.00339	1.8
262.00818	0.2
265.05042	0.3
267.06320	0.2
269.04456	2.7
270.05225	7.7
270.98688	0.4
271.05988	9.2
272.06406	0.4
273.00333	0.5
279.06552	0.9
283.05988	0.4
288.99802	4.4
289.04855	0.5
291.01361	0.4
293.04620	0.3
294.05103	0.2
295.06061	0.6
298.98199	0.4
307.06006	4.7
308.06271	0.4
309.07477	0.3
316.99335	0.8
317.04541	0.9
319.06003	0.5
332.06555	0.2
335.00873	0.3
335.05563	1.2
345.03949	2.8
347.05640	0.6
363.05008	3.7
364.05151	0.3
365.06866	0.3
373.03391	0.9
375.05069	0.6
390.34445	0.3
391.04489	6.2
392.05200	2.4
393.06012	4.5
394.06287	0.3
401.03073	0.4
419.03983	9.8
420.04410	0.6
437.04965	0.5
449.10464	0.4
465.09555	0.5
493.09518	0.5
521.08417	0.3
522.09143	0.2
539.09717	100.0
540.10077	7.8
647.55878	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	715.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14064	0.4
54.80926	0.4
57.03421	0.5
61.02932	0.6
65.03939	5.6
69.03413	1.5
69.66361	1.6
70.06606	1.0
81.03420	0.9
85.02889	1.1
93.03419	0.7
95.04983	0.7
97.02869	1.0
99.94495	0.4
103.03910	0.7
108.54835	0.4
109.02917	0.6
111.04451	4.7
119.04944	1.5
121.02863	100.0
121.03934	6.1
122.03217	1.2
127.03918	1.3
131.04919	0.6
136.03899	2.6
137.04312	0.6
140.63257	0.4
145.02855	1.9
147.04449	0.5
151.03888	6.8
151.05043	0.7
163.03923	1.2
169.05037	0.5
179.03365	0.7
180.08794	4.6
181.04922	0.9
181.09167	0.6
189.01816	1.5
191.03407	3.4
195.03029	0.4
203.03423	0.6
205.04951	0.7
207.02881	2.1
209.04437	1.2
210.71310	0.4
213.40965	0.5
217.04840	0.5
219.02843	2.7
229.05083	0.6
231.02963	0.5
239.06953	0.5
265.07086	1.0
267.06467	0.8
268.07272	1.6
271.06256	0.7
279.06604	1.6
280.07083	0.9
281.08160	3.0
283.08228	8.4
284.06799	0.8
285.59326	0.4
290.73981	0.5
291.06375	0.8
292.07199	0.6
293.07956	1.2
294.05197	8.3
294.08334	0.6
295.06000	9.2
295.09177	1.0
296.06805	1.1
297.07620	1.7
307.05997	19.6
308.06729	5.8
309.03943	0.5
309.07510	13.7
310.07767	0.6
313.06619	2.3
319.06064	3.8
320.06699	0.6
321.07584	5.2
322.08267	1.4
323.05405	0.9
323.09055	0.6
325.07047	10.5
329.19247	0.8
333.07504	1.5
335.05322	1.2
335.09180	1.2
336.06201	0.6
337.07031	46.7
338.07260	2.2
339.08725	0.8
347.05643	0.6
347.09167	3.1
349.06955	3.3
351.08557	3.0
355.08112	10.8
361.07068	3.3
363.08832	1.1
365.10281	0.5
367.08151	1.9
375.08685	1.7
376.09152	0.5
379.08093	9.2
391.08087	5.9
393.09869	0.9
403.07999	4.3
409.09116	3.4
415.09967	0.6
421.09082	6.6
427.10233	1.3
429.11682	1.8
439.10223	8.6
440.10269	0.5
445.09332	0.8
457.11276	45.9
458.11493	1.8
463.10349	0.9
475.12219	11.8
476.12601	0.7
481.11246	2.7
499.12122	1.4
511.12256	1.0
523.12616	2.2
541.13312	2.4
559.14526	3.5
577.14081	8.7
595.14417	13.3
596.14899	0.7
697.17346	1.4
698.17255	0.5
715.19397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3294
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
71.67110	0.5
80.75295	0.4
81.07061	0.7
87.04454	0.5
89.06047	1.0
95.08601	0.5
98.97595	0.5
105.07020	0.5
124.03986	0.9
124.84155	0.6
211.89978	0.5
222.55054	0.5
250.23039	0.5
321.05093	1.4
350.77524	0.5
389.27203	0.7
553.28143	0.7
715.32941	100.0
716.33270	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	716.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12128	0.2
53.03952	0.2
57.03428	0.5
62.97472	0.2
63.92136	0.2
69.03426	0.4
69.48984	0.9
70.06587	1.3
72.08138	0.3
73.02902	0.4
77.20523	0.2
84.08164	0.3
85.02893	2.0
86.09685	0.4
91.05460	0.9
95.01344	1.0
97.02882	0.6
98.22730	0.4
99.20343	0.2
103.05440	0.3
107.04949	0.2
113.02333	0.3
115.05443	1.0
117.06973	0.5
122.03606	0.2
128.06204	1.3
129.06995	5.4
130.07742	0.2
131.04953	1.1
131.08559	5.6
133.06529	0.2
137.05971	3.4
141.01822	1.8
141.06969	4.2
141.87956	0.2
143.04880	0.4
143.08553	1.3
144.05705	0.6
145.05005	0.2
145.06458	1.1
146.07195	0.4
148.05150	0.3
149.05807	0.2
151.03886	0.3
151.07564	1.2
151.09369	0.2
157.06490	5.4
158.07248	1.9
159.04417	0.3
159.08052	5.7
160.05161	0.8
161.05954	0.3
161.09564	0.6
162.06737	0.5
163.07524	0.8
168.02769	0.2
169.06448	2.3
169.07651	0.3
170.07292	1.2
171.08066	1.4
173.05988	0.4
173.09561	0.3
174.06750	11.5
175.07536	3.6
177.05400	0.2
177.09125	0.5
186.06746	3.2
187.07495	0.7
188.08325	0.7
189.09093	23.6
190.09448	0.6
191.10666	2.3
201.09093	8.9
201.20100	0.2
202.09518	0.3
203.10657	6.4
204.10884	0.2
206.05739	0.4
207.10135	0.8
213.32706	0.2
213.55000	0.2
219.10146	100.0
220.10506	2.5
221.11728	2.9
237.11162	2.1
272.10349	0.2
279.10001	0.2
291.10202	0.3
293.11603	0.2
299.07617	0.6
316.18701	0.4
325.14172	0.4
341.13907	0.3
377.12848	0.3
377.77060	0.2
381.15436	0.7
395.13150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
57.03426	0.4
65.03934	0.8
69.03416	1.1
69.15584	2.1
70.06585	0.9
71.01349	0.7
72.08144	0.6
73.02902	1.0
73.39261	0.3
74.50510	0.4
79.05490	1.0
81.03416	0.8
81.07043	0.7
83.04963	0.6
84.08145	0.6
85.02902	6.2
86.09691	1.2
91.05472	7.8
93.07000	0.4
94.04175	1.0
95.01328	2.8
95.04960	2.0
97.02883	1.4
103.03929	0.4
103.05442	1.5
105.07025	1.1
107.04945	2.3
109.02874	0.5
109.06511	2.0
111.04424	0.5
113.02356	1.5
115.05448	0.7
117.07027	0.8
119.04925	6.4
121.06516	2.7
122.03632	2.0
123.04436	0.5
123.08047	0.6
126.01062	0.4
127.03891	0.7
128.06233	0.6
129.06996	4.3
129.10254	0.4
131.03413	1.0
131.04921	3.4
131.08559	1.2
133.02840	0.9
133.06487	1.0
135.04407	0.6
135.08057	1.9
136.05135	0.7
137.05971	37.6
138.06299	0.7
141.01820	5.1
143.04907	0.7
145.02823	0.4
145.04926	0.6
145.06458	1.2
146.03654	0.5
147.04416	1.3
147.08058	0.7
149.05980	7.0
151.03909	2.3
151.07530	40.9
152.07834	0.8
157.06454	4.5
158.07262	0.4
159.04372	0.4
159.08083	0.6
161.05966	8.6
161.09596	1.3
162.06560	0.6
163.03963	0.5
163.07533	12.1
165.06992	1.6
165.09076	2.6
166.07808	0.4
167.08548	3.2
171.07967	0.4
174.06749	3.0
175.07533	4.6
176.08345	0.4
177.05530	3.0
177.06857	0.7
177.09105	5.5
178.07774	0.9
179.08514	0.8
180.40517	0.4
181.06512	0.6
181.10094	0.9
186.06671	0.4
187.07472	0.7
189.09087	16.0
190.09413	0.5
193.06494	2.2
193.08601	0.4
193.10178	2.7
194.07268	0.5
195.08066	8.0
195.09970	0.8
196.08643	0.6
197.05884	0.5
197.09619	0.5
201.09073	0.8
202.07779	0.5
203.08582	0.8
207.08183	0.5
207.10118	4.3
209.06000	0.5
209.07881	0.6
209.09613	1.3
210.06717	1.6
211.07515	0.9
212.08258	1.7
213.09024	0.4
217.08546	0.6
219.08171	0.6
219.10121	5.5
220.08902	0.6
221.05984	3.5
221.09593	5.2
221.11725	0.9
223.07535	4.1
224.08275	1.0
225.09056	3.6
227.07195	0.8
227.10661	12.8
233.09721	0.5
235.07520	0.8
237.09071	1.4
238.06209	1.1
238.09911	0.8
239.07091	0.5
239.10663	0.8
240.07820	1.4
241.08614	0.5
241.12416	0.5
242.09154	0.4
249.09058	2.6
249.11235	0.7
251.10670	0.5
252.07886	1.0
253.08592	5.1
253.12230	6.8
254.09065	0.4
255.10164	12.5
256.10519	0.6
261.08945	0.7
262.06100	0.4
265.08588	1.4
267.10193	2.3
269.08057	2.6
269.11310	0.7
270.08771	0.9
271.13116	0.5
272.10406	1.6
279.10168	0.7
281.11725	2.6
282.12238	0.6
284.10449	1.1
285.11191	9.1
286.11499	0.5
287.12741	19.2
288.13168	0.6
291.10095	0.5
293.11560	0.7
297.11230	2.1
298.11819	0.5
299.12656	2.6
305.11804	0.4
309.11182	0.6
310.11661	0.5
311.12723	2.7
313.14310	13.9
314.14563	0.6
323.12711	0.6
325.14322	1.1
331.15369	100.0
332.15704	3.8
337.14435	0.4
343.15384	12.0
355.15414	1.3
365.12375	0.4
367.15378	0.7
383.13385	0.5
396.15900	0.6
397.16483	0.7
435.14224	1.1
453.15414	1.2
465.36761	0.4
471.16318	1.7
489.17499	1.6
507.18491	1.3
638.26733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	1.1
69.26558	1.4
69.26959	2.7
70.06584	2.4
72.08140	2.1
73.02938	0.6
74.06061	1.5
84.04521	0.6
84.08140	0.8
85.02895	5.5
86.09716	3.3
89.12935	0.5
91.05471	6.5
91.79369	0.6
94.04191	0.8
95.01312	1.9
95.04937	1.4
95.86217	0.6
97.02882	0.9
103.05444	1.1
105.07018	1.5
107.04936	1.9
108.48512	0.6
109.06462	1.5
113.02353	1.7
115.05475	1.1
117.07030	0.7
119.04935	5.3
121.06501	2.0
122.03625	1.7
123.08024	0.6
127.03884	0.9
128.06247	0.7
129.06992	3.3
129.10271	1.3
131.03381	0.7
131.04916	3.5
131.08495	1.1
135.08017	1.7
137.05966	34.2
141.01817	4.7
145.02879	1.2
145.06413	1.1
147.04437	1.0
147.08040	0.8
149.05971	7.4
151.03917	1.4
151.07529	36.0
152.07962	0.8
157.06500	4.6
161.05960	6.1
161.09613	1.8
162.06694	0.6
163.07529	12.9
165.07036	0.7
165.09108	1.1
167.07243	1.0
167.08485	3.9
171.08049	0.8
173.06052	0.8
174.06717	3.0
175.07549	4.2
177.05435	4.6
177.09097	7.1
178.07803	0.6
181.06393	0.7
181.10101	0.7
187.14371	0.8
189.09096	14.6
193.06483	1.0
193.10132	1.4
195.08061	7.0
195.10008	1.3
201.09157	0.7
207.08269	0.9
207.10068	3.4
209.06023	0.8
209.07933	0.8
209.09692	0.8
210.06750	1.2
211.07578	0.8
212.08331	2.1
219.10204	2.7
221.05951	3.1
221.09642	3.1
221.11597	1.1
223.07550	3.1
224.08260	1.1
225.09100	2.9
227.10638	11.3
233.09741	0.8
237.09073	1.5
238.06250	0.7
239.07008	0.8
240.07794	1.6
241.12251	0.9
249.09152	2.4
250.09793	0.7
252.07837	1.0
253.08600	4.5
253.12294	7.3
255.10106	11.3
255.12523	0.8
265.08450	0.7
266.09396	0.6
267.10190	2.3
269.08066	1.4
269.11914	0.7
270.08670	0.9
281.11740	1.6
284.10373	1.0
285.11227	7.0
287.12720	18.4
293.11740	0.8
297.11154	1.6
299.12881	3.0
301.14334	1.1
311.12686	2.6
313.14322	15.4
325.14395	0.9
331.15366	100.0
332.15558	4.8
343.15356	11.5
355.15408	1.2
435.14130	0.7
453.15231	1.4
471.16324	2.0
489.17175	1.8
491.21912	1.1
507.18454	1.5
530.36609	0.8
610.44812	0.6
614.44366	0.6
716.39368	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	716.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48901	0.7
63.00066	0.8
64.99729	0.9
69.03432	1.6
69.71603	2.7
71.04987	0.9
81.03430	4.0
81.07062	0.9
85.02890	1.5
89.03902	4.7
89.06026	2.0
91.05495	1.5
97.02922	0.8
98.22825	1.0
105.07011	0.8
109.02893	1.9
117.03374	14.4
119.04910	2.2
129.28374	0.8
131.04935	1.0
134.03586	1.0
134.21538	0.7
135.04411	1.9
137.05954	7.7
145.02844	43.4
146.03172	1.2
147.04379	1.9
149.05988	5.9
151.07530	3.2
160.05280	1.0
163.07533	2.3
167.07059	1.0
175.07503	2.3
177.05463	100.0
177.08788	3.9
178.05789	3.4
181.08664	0.9
187.07361	0.7
195.06519	1.6
201.05472	2.3
202.05798	0.8
209.08098	0.9
219.10155	1.0
226.84029	0.7
227.10567	1.3
255.09827	0.8
285.11453	0.9
287.12881	1.5
311.12759	1.3
321.09613	4.3
330.04883	1.0
331.15533	3.7
339.10675	7.8
355.11484	1.4
359.08878	9.7
360.09018	1.2
383.14905	5.9
389.16846	0.7
685.23932	0.9
690.07251	0.7
717.23822	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	716.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50255	0.8
53.03945	6.3
55.01862	1.7
55.05502	2.4
57.03433	1.5
57.07067	1.0
57.29094	1.0
61.02916	1.2
64.81242	0.9
65.03947	1.2
67.05493	6.2
69.03432	4.9
69.07069	1.5
71.04987	1.7
71.42471	1.6
73.02906	2.6
76.46548	1.0
79.05483	4.5
79.33472	0.9
81.03416	12.5
81.07055	5.5
83.04988	2.8
83.08602	0.9
85.02892	7.1
87.00834	6.2
87.04444	1.6
89.06044	2.3
91.05472	7.7
93.07053	7.2
95.04970	4.6
95.08609	8.1
97.02877	13.2
97.06554	2.0
99.04468	4.0
101.02422	1.1
105.01851	4.5
105.07030	11.1
107.04951	1.5
107.08567	7.3
109.02876	18.6
109.06528	4.0
109.10154	3.8
110.03223	1.1
111.04445	8.2
115.05455	1.2
117.07030	3.4
119.04963	1.8
119.08565	16.9
121.02836	1.5
121.06535	2.8
121.10149	8.9
123.08096	3.0
124.08071	0.9
125.06013	2.3
127.03906	22.6
128.06245	1.7
129.07018	2.7
131.08562	8.6
133.06490	3.4
133.08554	1.5
133.10132	12.3
134.07278	5.0
135.08081	3.0
135.11697	1.6
137.05980	1.2
139.07613	1.6
141.06998	2.3
142.07788	3.0
143.08540	6.8
144.09323	1.5
145.04942	1.9
145.10098	17.5
145.52727	1.1
147.04382	1.9
147.08070	2.7
147.11681	8.3
148.08917	1.6
149.09604	2.7
154.07825	1.1
155.08516	4.7
156.09332	3.7
157.10118	13.5
158.10919	2.2
159.08070	3.3
159.11664	9.9
161.09647	3.4
161.13290	1.8
163.07486	1.7
165.07042	1.5
167.08606	2.4
168.09332	1.2
169.10098	8.2
170.10843	5.0
171.11674	8.8
172.12488	2.3
173.09601	3.4
173.13243	8.9
175.07562	1.5
175.11200	2.7
175.14813	1.1
177.09055	2.3
179.08603	2.8
180.09294	1.6
181.10085	5.1
182.10896	1.8
183.08067	1.8
183.11661	13.3
184.12343	1.3
185.09618	2.6
185.13197	6.1
187.06071	1.8
187.11082	4.5
187.14777	14.4
188.11980	2.6
188.15474	1.7
189.09035	2.6
192.09375	1.6
193.10114	6.1
194.10913	1.2
195.11642	6.2
196.12364	2.8
197.09659	2.1
197.13226	13.1
198.14021	9.3
199.11162	1.7
199.14777	3.8
201.09125	2.0
201.12753	2.9
203.10782	1.6
203.14299	7.6
205.10184	1.4
205.15907	2.6
206.10912	1.5
207.11725	9.3
208.12508	1.6
209.13231	5.9
210.13901	1.5
211.11211	2.9
211.14835	5.4
213.03957	3.5
213.09186	1.8
213.12825	1.5
215.10690	1.5
215.14268	5.5
216.15108	2.2
219.11719	3.1
220.12506	3.7
221.13249	4.9
223.14786	3.4
225.12810	3.3
225.16385	3.5
227.10764	1.3
229.12289	1.2
229.15871	1.8
231.05025	4.3
231.10172	3.4
234.14011	4.0
235.11186	1.9
235.14684	4.8
239.10664	2.8
239.14285	2.2
239.17944	3.6
249.12712	1.4
249.13799	1.0
249.16354	8.9
251.17972	3.1
253.12296	3.9
253.15822	2.9
257.15515	1.9
262.13489	1.8
265.12173	1.1
267.13815	2.2
267.17487	6.2
269.15338	2.2
269.18927	2.6
271.16968	5.4
277.15833	4.5
283.16776	1.6
285.15378	1.0
285.18475	7.0
295.16895	51.5
296.14209	1.1
296.17307	2.4
297.07745	1.6
297.18341	1.2
313.17953	100.0
314.18311	4.2
331.19086	11.4
355.19022	15.5
373.20108	18.0
391.21243	5.3
404.07605	2.1
413.12564	1.3
433.22263	1.3
451.23386	4.7
471.23090	1.2
619.27643	6.9
645.25055	4.2
663.26959	4.8
716.35150	10.8
717.34741	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	716.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	6.5
59.22790	0.7
69.32926	1.1
69.33193	3.6
70.40219	0.7
71.04994	1.8
73.02917	6.4
73.06547	3.3
76.48013	0.7
78.99491	1.7
81.63535	0.6
87.04465	20.9
89.06027	100.0
103.07579	5.1
107.07101	1.8
113.00007	7.4
113.06018	1.0
114.16685	0.8
115.07556	2.0
117.09162	1.9
127.01560	53.2
131.07033	4.8
133.08598	50.9
139.00519	1.5
139.01546	20.4
147.10182	3.9
153.03105	67.7
159.10149	0.9
162.51028	0.7
175.09671	3.1
177.11203	16.3
178.05092	0.8
180.78346	0.7
183.04184	9.4
197.05728	26.0
198.06041	0.8
219.12529	0.9
221.13840	1.3
227.06813	3.6
241.08345	7.3
259.09412	1.3
271.09412	3.0
285.10971	3.1
303.11951	0.8
315.11990	2.6
329.13577	1.5
347.14615	1.7
359.14713	1.1
360.38263	0.7
405.06116	3.2
435.19781	0.8
509.60730	0.9
581.06390	0.8
699.35535	5.0
717.46802	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	716.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03944	0.8
65.03941	0.4
69.10999	1.2
69.11418	1.0
73.02897	0.3
73.06552	1.1
77.03921	1.3
79.05484	5.8
79.11829	0.3
86.53722	0.3
87.04456	5.8
87.28469	0.3
89.06023	45.7
91.05470	9.4
93.07033	2.2
95.04960	3.8
98.22636	0.6
103.05456	7.0
105.04592	1.8
105.07018	100.0
106.07370	2.0
107.04965	2.0
107.07048	0.8
115.05394	0.5
117.07002	1.4
117.09084	0.8
119.04940	1.5
119.08574	4.1
121.06490	16.8
128.06177	1.0
129.06969	3.0
131.07043	2.2
131.08543	6.5
132.05682	1.1
133.08588	29.5
133.10175	1.0
134.08904	0.5
135.08095	0.6
145.06419	1.2
147.08031	30.3
148.08369	0.6
149.09599	6.4
165.07004	0.3
165.09134	2.0
166.07747	0.4
173.09570	0.6
175.09772	1.4
175.11024	0.5
177.11195	10.4
181.10088	1.1
191.10628	0.7
192.09346	0.4
193.12120	0.5
207.11638	0.5
209.11688	1.1
216.39076	0.3
221.13757	1.6
223.11188	2.6
225.12714	17.8
225.82341	0.3
226.12939	0.4
246.97993	0.3
249.12790	2.3
250.13470	0.4
251.14372	2.8
267.13718	0.4
269.15314	4.1
271.15433	0.3
283.17456	0.5
295.16995	0.5
297.16745	0.5
311.16171	0.8
313.18048	1.9
315.17874	0.4
324.88620	0.3
327.17126	0.7
329.18793	0.6
359.20517	0.6
373.21625	4.7
374.21793	0.4
416.22116	0.3
491.27887	1.2
551.31622	0.4
595.34711	1.7
629.78448	0.4
699.39960	1.2
716.43359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
57.47547	0.3
68.32984	0.4
69.66566	1.2
73.02907	0.6
73.06554	1.3
77.03899	0.7
79.05489	6.5
87.04465	8.4
89.06027	55.1
90.06372	0.5
91.05476	8.5
93.07057	2.3
95.04973	2.9
103.05463	6.5
105.04530	1.3
105.07025	100.0
106.07354	1.4
107.04953	1.7
107.07056	1.6
117.07002	1.1
117.09151	0.6
119.04953	1.4
119.08562	4.1
121.06503	18.5
125.26116	0.4
128.06207	1.0
129.06990	2.8
130.08603	0.8
131.07053	2.9
131.08551	7.4
132.05650	0.7
133.08598	37.2
133.10191	1.2
134.08923	0.7
145.06442	0.9
147.08043	32.2
148.08405	0.5
149.09622	6.8
157.08624	0.4
163.11113	0.6
165.09102	2.1
165.10342	0.4
166.07751	0.5
173.09569	0.7
175.09676	1.3
175.11159	0.5
175.83354	0.4
177.11218	13.4
179.08607	0.6
181.10034	1.4
184.07321	1.4
192.09160	0.5
193.12218	0.8
207.11731	0.5
208.08817	0.6
209.11646	1.1
219.12239	0.6
221.13814	3.1
223.11180	2.6
223.15210	0.6
225.12740	20.2
226.13055	0.8
237.12773	0.6
249.12686	2.6
251.14316	3.0
255.15907	0.7
265.16412	0.6
267.13785	0.7
269.15369	5.5
283.17508	0.8
295.16861	0.4
311.16556	0.5
313.17896	1.6
315.17999	0.6
329.18991	0.4
341.19363	0.5
359.20685	0.5
370.17819	0.5
373.21591	6.0
403.23123	0.5
491.27951	1.4
507.30212	0.4
595.34802	2.1
633.41052	0.4
699.40118	1.3
716.43109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65177	1.1
70.50664	1.7
86.49545	1.1
97.19704	1.2
98.97614	3.2
105.07033	1.1
110.97604	2.1
117.67309	1.5
122.05994	1.3
155.28923	1.2
197.04916	1.2
221.04828	1.7
237.02806	2.2
287.13928	1.4
323.08157	5.1
341.09195	3.1
365.09293	2.1
398.15744	1.6
399.11871	1.3
400.16617	2.6
405.05917	2.2
408.59909	1.2
458.17352	2.5
517.14093	2.4
599.24835	1.8
673.18921	39.0
674.19427	4.4
685.24719	3.9
717.17816	100.0
717.35730	3.1
718.18384	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	717.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19433	0.4
69.03445	0.6
70.48804	1.1
81.03422	0.9
82.22245	0.4
85.02943	0.7
86.58923	0.4
89.03932	0.4
91.05482	1.3
97.02912	1.4
115.72763	0.4
117.03400	1.8
119.04950	0.9
137.05971	1.0
145.02820	4.6
146.03160	0.7
147.04416	0.7
149.06062	0.5
149.88567	0.5
151.03923	1.7
151.07591	1.7
175.03967	0.6
177.05476	7.7
178.05887	1.7
179.52901	0.4
207.06537	1.4
214.91852	0.5
294.31580	0.4
321.09897	0.4
335.11172	0.6
337.26166	0.4
359.08737	2.1
440.40823	0.5
523.18231	0.6
529.16589	3.8
656.83093	0.5
673.20923	0.6
717.23578	100.0
718.23901	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	717.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61538	1.9
55.75204	1.8
56.10357	2.1
57.27642	1.9
57.82699	1.9
86.91586	1.8
91.05511	2.9
94.06574	13.2
105.07005	3.0
120.93342	2.1
121.02843	2.9
122.06021	62.1
143.91405	2.6
144.04431	3.5
146.06026	10.4
147.04395	4.2
162.05527	4.6
172.03925	19.1
173.04823	2.8
174.05409	11.3
176.07118	8.1
190.05000	3.7
191.05757	3.3
194.86948	2.3
197.10724	2.1
204.06567	35.4
206.08138	6.1
212.09456	2.2
213.94373	2.1
223.08536	2.6
225.10207	8.1
226.07143	11.2
227.11783	18.4
237.10237	3.2
239.11777	5.4
241.09737	2.5
249.09920	2.1
253.09677	3.5
267.11319	5.7
269.12903	10.7
271.10837	4.9
277.09869	2.7
283.10745	11.4
284.11633	4.6
287.13879	36.5
295.10648	2.3
297.12549	2.9
300.11386	2.5
301.12103	4.5
302.12793	2.4
312.15247	2.4
313.12100	2.6
314.13202	3.3
316.14481	6.9
327.13437	6.2
328.14410	3.7
329.11566	5.5
329.15234	4.1
330.12280	2.8
330.16077	6.9
331.16617	5.3
342.12473	4.4
343.13281	4.2
344.17593	8.6
354.15918	2.6
355.13370	3.7
356.13925	6.9
357.14313	3.1
358.15457	9.7
365.11594	3.0
372.17081	6.0
373.13953	4.1
379.03119	2.4
382.11502	2.7
384.13281	11.2
385.13986	6.1
386.14838	6.7
390.18094	4.9
398.14935	16.1
399.11737	28.5
399.15903	21.8
400.16580	40.0
402.14441	2.6
412.16870	3.4
414.18127	5.9
416.16177	4.4
417.12354	3.3
417.17328	4.9
418.17639	8.6
430.17816	5.5
431.14438	19.5
440.15796	4.6
458.11456	3.4
458.17215	37.5
459.17764	20.4
460.18723	5.1
490.19800	6.9
491.20352	5.3
599.25134	9.9
641.25549	7.3
667.23944	6.6
685.24988	100.0
686.25128	6.8
699.15436	2.3
717.25623	2.9
717.36713	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	717.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33105	1.2
96.18344	0.5
98.22765	0.6
142.33321	0.6
161.06950	0.5
717.34460	100.0
718.35101	6.6
725.65051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3665
Annotation	Amataine
Peak:m/z	Relative Intensity
55.56302	0.6
63.13885	0.6
69.03417	1.0
70.06589	2.1
73.55715	0.6
79.77571	0.6
81.03391	0.9
81.07009	0.9
86.09701	1.0
91.05465	0.7
97.02946	0.6
121.02851	3.6
124.03951	0.7
137.02330	1.0
137.06018	0.8
145.06105	1.0
147.04434	2.2
157.22678	0.6
207.06604	0.6
259.02356	1.4
287.01889	2.6
320.94196	0.7
322.75986	0.9
405.06015	15.0
405.11069	1.0
406.06439	1.5
492.22388	1.7
506.93646	0.7
639.27789	0.8
717.36627	100.0
718.37134	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	718.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
52.03166	0.5
52.83722	0.6
53.03957	0.9
55.01873	2.2
65.03938	3.9
67.05508	2.4
68.99808	0.8
70.06624	0.7
71.05030	0.5
71.43222	0.9
72.19394	0.6
75.04487	1.7
77.03924	1.0
78.04725	1.4
79.05483	3.3
81.03423	2.1
85.02904	4.2
89.03931	0.9
91.05481	9.3
93.03419	5.5
93.07028	2.8
94.04197	1.6
95.04961	6.7
95.51925	0.6
97.02863	0.6
97.06550	1.6
103.05466	22.9
105.03394	2.2
105.04522	1.7
105.07016	4.4
106.04176	12.3
107.04967	6.9
108.02108	1.1
109.06513	1.2
110.03654	0.9
111.04419	1.4
115.05423	4.0
115.50027	0.6
117.07004	2.9
118.04153	4.1
119.04977	1.8
120.05691	1.1
121.06506	14.4
122.03630	4.4
123.04430	3.8
124.05199	1.2
125.05988	6.0
127.03841	0.6
129.06993	1.7
130.04164	1.7
131.04919	35.2
131.08549	0.9
132.05728	1.3
133.02870	2.0
133.06508	4.6
134.03632	2.6
135.04390	1.6
135.08035	2.5
137.05971	57.5
138.06470	0.8
139.07542	1.6
141.05458	0.8
143.04904	2.1
143.06024	0.6
144.05702	0.8
145.02867	0.7
145.06496	4.5
146.03593	1.1
147.04396	2.0
147.08034	1.1
148.05176	13.3
149.05980	22.1
151.03900	79.3
151.04970	5.3
151.07527	2.5
152.04276	1.4
153.05457	4.5
153.09094	6.0
157.06419	1.2
159.04395	1.6
159.07999	0.7
160.05252	1.0
161.05978	4.1
161.20329	0.6
162.01349	1.8
162.06754	1.0
163.02122	0.6
163.03908	2.0
163.07536	23.6
164.04552	0.6
164.07979	0.8
165.05435	3.6
165.09105	1.0
167.07028	14.6
171.04393	1.0
173.05916	4.2
174.06734	0.9
175.03928	0.7
175.07559	4.5
176.04692	2.8
177.05467	17.4
177.08868	1.2
179.01588	0.9
179.07036	1.8
181.04951	20.5
181.08574	13.9
187.07516	2.4
189.05516	1.6
189.09045	1.4
190.00844	1.5
190.06261	0.8
191.07021	100.0
192.07561	2.6
193.03241	0.9
193.04990	0.8
193.08562	2.6
195.06505	2.3
199.07466	0.7
201.05486	0.8
203.07001	4.0
205.06703	1.1
205.08580	2.5
207.06416	0.7
207.10245	0.6
208.01854	1.1
209.08073	75.0
210.08406	2.4
213.09186	0.7
217.08600	1.1
219.06345	0.6
219.10098	1.6
221.07933	0.9
223.02106	1.3
223.04214	17.5
227.06996	0.9
231.06464	1.7
233.05954	0.8
233.08055	3.9
234.06689	1.0
235.07555	1.2
235.09665	3.4
237.09042	1.3
245.08105	0.7
249.09091	1.4
251.06917	0.8
251.13513	0.5
252.07603	0.9
259.09637	1.1
263.06396	0.7
263.09149	14.6
265.08591	2.2
267.10156	1.7
277.08508	1.9
279.06750	0.6
291.31686	0.6
293.08008	1.0
295.09470	1.8
297.11069	1.1
307.09525	1.1
312.09033	3.1
323.08902	1.1
325.10532	1.4
327.12125	2.6
329.13574	1.2
337.10495	1.3
341.13736	1.1
351.11884	0.9
355.11685	7.8
355.49359	0.6
357.13187	1.7
359.14719	1.5
367.15158	0.8
369.13312	3.1
387.14328	25.1
388.14496	1.5
405.05756	1.2
406.05728	0.7
417.15646	0.8
479.72739	0.8
547.19128	0.7
565.88928	0.6
579.20911	0.6
717.45380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.0
53.03935	1.0
53.29906	0.8
55.01859	3.0
60.00187	0.9
65.03936	3.7
67.05499	1.7
69.03423	1.0
70.06591	1.4
72.80159	0.8
75.04486	1.8
77.03946	1.4
77.57095	0.9
77.67867	0.9
78.04707	2.0
79.05467	4.4
81.03400	2.4
85.02882	4.0
91.05477	10.9
92.06281	0.9
93.03400	8.3
93.07022	3.5
94.04173	2.1
95.04951	8.3
97.06523	2.6
98.23540	1.5
103.05455	28.0
105.03394	2.1
105.04504	2.1
105.07045	4.8
105.93555	0.9
106.04165	12.3
107.04929	7.4
108.02038	0.9
109.06540	1.7
110.03593	1.5
110.74079	0.8
111.04427	2.1
115.05450	5.6
117.07002	4.0
118.04147	4.8
119.04914	3.1
120.05716	1.2
121.02855	1.6
121.06506	16.6
122.03632	4.0
123.04396	3.4
123.18655	0.9
124.03941	1.1
125.05955	5.9
128.74298	1.1
129.06990	2.2
131.04913	38.5
132.05696	2.0
133.02814	1.3
133.06436	5.4
134.03609	2.6
135.02718	0.9
135.04416	2.3
135.08020	1.9
136.06152	1.4
137.05965	68.2
138.06354	1.0
138.33900	0.8
139.07552	2.2
141.05365	1.6
143.04892	1.7
145.02821	1.2
145.06465	4.5
146.03659	1.1
147.04407	2.3
147.07982	1.2
148.05182	12.1
149.05972	30.2
151.03900	78.3
151.04996	6.7
151.07535	1.7
152.04266	1.0
153.05446	4.1
153.09084	6.9
155.07132	1.0
157.06477	1.3
159.04370	1.1
160.05258	1.9
161.05957	5.0
162.01369	1.4
163.03891	2.7
163.07523	26.0
165.05450	2.5
165.54810	0.9
167.07027	22.1
167.08479	1.1
171.04419	1.5
171.06526	1.8
173.05972	3.0
175.07599	4.3
176.04700	2.8
177.05449	19.4
177.09082	1.2
179.07004	2.4
181.04947	27.0
181.08545	16.1
187.07507	2.1
189.05437	2.0
189.09047	1.2
190.00833	1.4
191.07011	100.0
192.07579	3.3
193.03229	1.3
193.08548	1.8
195.06541	3.6
203.06978	3.3
205.06558	1.9
205.08601	2.6
207.10196	1.0
209.08069	76.2
210.08379	1.3
219.10147	2.4
223.04213	16.0
223.09497	1.4
231.06482	1.1
233.08015	4.4
235.07401	1.2
235.09702	2.7
237.09068	1.5
245.08203	1.2
251.06999	1.5
259.09366	1.0
263.06653	1.4
263.09137	13.2
265.08600	2.0
267.10144	2.7
277.08572	1.9
293.07986	1.3
295.09586	1.2
305.08179	1.0
312.09003	1.5
325.10388	1.9
327.12198	2.6
329.13867	2.2
337.10782	1.2
355.11761	7.4
357.13449	2.1
359.14865	1.4
369.13220	2.9
372.01605	1.0
385.12839	1.1
387.14328	25.9
388.14270	1.1
406.06384	2.6
554.85748	1.1
579.21576	1.3
579.46979	0.9
718.47034	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	718.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35617	0.4
55.05509	1.0
56.05024	2.0
57.03418	0.4
62.12915	0.5
67.05492	1.4
68.05009	1.2
68.99782	3.7
69.07071	0.9
69.88817	1.6
70.06597	7.5
71.04984	0.9
71.07372	1.1
72.04537	0.7
72.08156	12.3
79.05481	0.7
80.05018	1.0
81.03442	0.6
81.07063	0.9
82.06559	0.5
84.04517	0.9
84.08133	3.0
85.02873	0.8
87.58497	0.5
88.07632	5.0
91.05465	0.7
93.07051	0.5
94.06550	0.9
95.04956	0.6
96.04485	0.8
98.06044	2.4
100.06955	0.7
100.07616	12.8
103.05458	0.5
105.07073	0.9
108.08124	3.5
109.10130	0.6
110.09680	12.0
112.11196	0.9
114.09172	0.7
117.90282	0.5
119.04964	0.6
121.06534	0.6
122.09629	1.4
123.10430	1.6
124.07628	0.7
124.11221	1.6
125.10738	0.8
126.09149	21.8
127.03893	0.6
130.77296	0.5
131.04945	1.1
139.08563	0.5
140.10693	4.1
142.12280	3.6
143.11812	4.1
151.03923	1.3
152.10686	2.0
157.09787	0.6
166.99721	0.5
167.11765	0.8
169.01285	1.8
169.09718	5.3
169.13351	0.6
171.14925	4.1
175.03946	0.7
178.15910	1.0
180.17467	50.5
181.04805	0.5
181.17812	1.5
185.00812	4.4
186.01570	1.0
194.15454	1.0
207.06505	1.2
213.19565	1.3
223.18027	0.9
224.91942	0.5
235.20174	0.5
241.19191	0.7
251.21190	5.9
271.05994	9.9
273.07605	2.0
292.23685	0.9
299.05374	0.7
310.24866	100.0
311.25192	4.0
329.10214	1.0
473.41965	0.5
513.77740	0.6
525.10956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.9
51.02383	1.9
53.03943	2.0
65.03955	1.7
67.05505	3.1
69.07068	1.7
77.03943	1.0
78.03451	20.4
79.05482	4.5
80.05025	1.2
81.03415	4.6
81.07071	3.0
83.04970	1.5
86.09718	1.0
87.04460	8.2
89.06033	2.7
91.05466	8.1
93.07048	4.3
93.07539	0.8
95.04963	9.3
95.08610	3.8
96.04486	5.3
97.02879	1.4
103.05495	1.5
105.02682	1.7
105.03387	37.4
105.04426	4.0
105.07027	24.9
106.02911	100.0
106.07318	1.1
107.03299	1.0
107.08572	4.9
109.06513	1.0
109.10168	2.0
111.04447	3.9
117.07037	2.7
119.06095	1.2
119.08582	11.0
121.06537	2.6
121.10130	6.2
123.08096	1.3
124.03944	45.5
125.00018	2.1
127.03935	3.5
128.06203	2.0
129.07039	2.0
131.08595	5.3
133.06493	1.6
133.08623	1.9
133.10117	9.4
134.07301	3.0
135.08073	1.3
135.11772	0.8
141.06996	1.1
142.07791	2.9
143.08556	5.5
144.09401	0.9
145.06412	1.3
145.10089	11.0
145.11050	0.9
147.08038	3.2
147.11694	4.8
155.08592	2.7
156.09370	4.3
157.10133	7.9
158.10909	2.3
159.08075	1.8
159.11720	6.9
161.09657	2.8
161.13319	1.3
165.07059	1.0
167.08569	2.2
168.09319	1.7
169.10110	6.4
170.10921	2.9
171.11687	6.2
172.12502	3.7
173.09694	3.5
173.13239	5.6
175.14827	1.4
178.08646	15.6
179.08644	1.8
180.09383	1.4
181.10164	2.8
182.10922	2.4
183.11664	10.8
184.07283	4.4
185.09702	1.4
185.13312	2.9
187.11249	3.3
187.14821	10.6
188.11937	1.8
188.15573	1.1
192.09366	1.7
193.10197	2.6
194.10983	1.4
195.11815	2.9
197.13292	7.9
198.14069	4.6
199.11238	1.5
199.14874	0.9
201.12801	2.4
203.14323	6.0
205.10239	1.1
206.08112	4.2
206.10916	1.6
207.11789	3.4
209.09727	1.0
209.13303	2.7
210.10506	0.9
211.11136	1.1
211.14845	2.2
215.10672	1.2
215.14326	4.9
216.15166	1.9
219.11789	1.2
220.12523	2.0
221.13367	2.5
223.15103	1.0
224.09160	18.7
225.12758	2.1
225.16464	2.3
231.10126	1.0
234.13986	1.3
235.14877	1.3
236.15588	0.8
239.14320	1.5
239.18100	1.2
241.98213	0.9
249.12947	0.9
249.16481	3.0
253.12268	1.1
253.16096	1.1
257.15549	1.1
266.10349	0.9
267.13928	1.5
267.17557	3.1
271.17105	2.3
277.15927	1.9
285.18533	2.5
295.16870	9.9
313.17975	11.5
313.21436	1.1
355.19229	1.5
536.26251	1.8
596.28241	1.0
625.89355	0.9
658.30267	2.2
718.32208	63.4
719.32019	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	719.158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03426	2.6
67.01859	1.1
68.99783	13.9
69.03423	2.8
71.01357	4.6
73.02914	7.1
74.10515	1.1
81.03413	1.1
82.69463	0.9
83.01357	1.7
85.02899	15.9
91.05508	0.9
95.01297	1.5
95.04973	1.6
97.02876	5.0
103.05454	29.3
103.06107	1.7
105.03399	1.1
105.07037	7.1
107.01299	1.0
109.02869	2.0
111.88120	1.0
113.02377	7.4
121.02774	1.3
125.02356	3.7
128.95309	1.1
131.03349	3.8
131.04912	100.0
132.05252	5.4
137.02368	1.8
141.01823	2.4
147.00768	7.4
149.02348	2.3
151.00301	1.7
153.01857	1.3
153.92162	1.0
157.51509	1.0
159.02855	1.3
163.00233	5.2
165.01845	6.2
165.46480	1.0
166.99774	1.2
167.02167	1.6
168.02859	3.0
169.01294	11.9
173.06134	1.1
175.00200	1.4
177.01837	1.8
181.01329	3.3
181.06445	0.9
183.02867	3.9
185.00793	11.7
190.99780	2.6
193.01303	11.4
194.00867	2.7
194.99347	1.0
197.00806	4.2
198.01680	1.1
202.99815	1.6
204.02893	1.7
205.01291	17.6
205.03165	1.5
206.99272	3.8
209.00818	3.7
211.02354	4.6
212.01833	6.4
213.00258	5.8
213.02063	1.1
214.99817	1.5
215.07040	1.2
218.99269	2.7
220.02390	2.3
221.00783	17.3
221.05980	1.1
223.02341	8.8
223.07536	1.3
225.00244	11.0
230.99210	2.7
233.00803	4.3
237.00212	6.9
239.01854	4.3
242.99226	2.7
246.98750	10.9
249.00264	8.7
250.98256	1.6
252.99760	1.5
261.00314	3.5
264.99835	2.1
267.01346	2.5
270.98706	2.6
271.05994	13.8
272.06400	2.3
272.09134	2.7
273.00204	1.8
273.07590	1.6
274.98221	1.5
279.01563	1.2
288.01358	2.4
288.99719	52.4
290.00174	1.7
297.99805	1.7
298.07120	2.4
298.98117	16.7
299.07495	3.4
299.98517	1.4
300.99643	6.7
305.04572	1.1
307.00772	8.7
307.06329	1.1
309.07465	11.4
316.00833	3.5
316.99182	33.0
317.99893	4.1
319.00562	2.1
319.05801	1.6
325.07095	1.2
334.01923	1.0
335.00311	21.0
347.05499	4.4
351.04767	2.1
351.84937	1.2
356.73062	1.1
357.04254	1.5
375.04782	7.9
393.05969	11.3
403.04318	9.7
405.06171	5.5
420.07056	3.0
421.05444	41.3
422.06082	2.8
423.07065	5.2
439.06393	4.3
451.11694	1.2
479.11118	7.7
493.02463	12.6
497.12198	6.0
507.11136	5.2
509.12360	10.1
525.11865	18.6
597.08765	15.0
598.08459	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	719.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
57.03408	2.3
68.50920	1.4
68.99783	46.3
69.03424	3.1
69.79504	1.4
70.06551	1.9
71.01349	4.1
71.42589	1.7
73.02903	6.9
77.63773	1.5
81.03381	2.4
85.02895	14.5
91.05462	3.9
94.13890	1.5
95.04933	2.7
97.02900	2.6
99.00817	1.6
103.05455	28.4
105.03387	2.6
105.07025	17.9
109.02817	1.9
113.02348	6.6
119.09350	1.7
125.02351	3.8
131.03358	3.4
131.04916	100.0
131.52673	2.0
132.05228	6.0
139.00233	5.7
141.01869	1.9
147.00748	5.6
149.02399	1.8
151.00290	1.7
151.03897	2.5
159.02931	2.0
163.00285	3.8
165.01839	7.5
166.99734	5.3
169.01283	16.8
174.30272	1.7
177.05345	2.9
181.01230	2.5
181.04918	2.7
183.02852	3.5
185.00795	65.5
186.01372	1.7
190.99648	2.2
193.01260	11.7
197.00780	2.8
205.01344	18.4
206.01622	2.3
209.00816	3.4
211.02362	6.4
213.00258	5.8
214.99754	2.3
215.07048	3.7
218.99266	3.0
221.00769	16.1
223.02356	11.4
225.00310	12.0
230.99211	2.0
233.00748	4.4
237.00313	7.1
238.28740	1.6
239.01814	4.7
243.06465	3.1
246.98659	9.4
249.00325	5.2
250.98178	1.9
253.04893	2.4
261.00217	2.6
264.99695	2.8
267.01300	1.9
271.05960	65.5
272.06360	3.4
273.07544	8.2
288.99744	48.9
289.99939	2.8
298.98077	9.3
299.05365	2.1
300.99835	6.2
307.00784	8.1
309.07458	13.0
316.99228	27.2
317.99728	3.6
319.01099	2.3
319.05331	1.7
329.04611	1.6
335.00302	24.0
336.00681	2.9
347.05466	2.5
351.04810	2.5
372.03796	1.9
375.04990	4.1
393.05954	8.6
402.85724	1.8
403.04498	9.6
405.05902	7.5
421.05450	47.8
422.05759	5.2
423.07016	9.2
439.06537	4.4
479.11316	4.2
493.02573	8.1
497.12250	5.1
507.10544	5.9
509.12454	7.5
510.11957	2.4
525.11823	22.1
526.11945	6.2
597.08588	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	719.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47161	0.4
51.77011	0.4
54.63008	0.4
68.99789	39.1
69.61127	0.4
69.61475	1.7
70.06593	0.6
71.01342	0.6
72.08144	0.8
73.02885	0.5
76.51621	0.5
79.05508	0.5
85.02899	1.6
88.65466	0.4
89.86591	0.4
91.05463	1.3
95.01348	0.5
98.23473	0.8
100.07603	1.8
101.74961	0.4
103.05466	4.6
105.03409	0.7
105.06348	0.7
105.07023	9.8
107.04948	0.5
109.63540	0.5
110.09689	0.6
111.00774	0.4
112.01546	1.0
113.02365	0.7
123.00761	2.4
124.09487	0.4
126.09078	0.5
129.03355	0.7
129.06891	0.6
131.04926	9.4
139.00270	5.3
140.01010	0.7
140.10709	0.5
141.01796	0.6
141.07022	0.9
142.12277	0.6
147.68913	0.4
153.07027	0.5
157.01407	0.4
157.06560	0.4
159.02888	0.5
164.35428	0.4
165.01804	0.9
166.99757	8.1
168.00545	5.6
169.01326	16.8
169.06438	1.0
171.14937	0.8
173.06015	0.6
180.17525	1.0
183.04344	0.6
185.00809	50.4
186.01582	4.8
187.02313	1.3
195.87112	0.5
197.06044	1.3
215.07050	3.8
225.05368	2.5
237.05576	0.5
241.04805	0.5
243.06496	4.2
247.02309	0.8
253.05028	2.0
255.06212	0.6
271.05991	100.0
272.06546	6.3
273.07562	20.8
274.08179	0.6
281.04230	0.8
283.06018	2.6
297.03842	2.1
299.05527	0.6
310.24863	4.4
311.05499	1.5
311.25226	2.0
312.26450	0.7
335.05487	0.7
337.03250	0.8
421.05365	1.6
439.06595	0.6
447.09256	2.0
449.10980	0.5
507.10953	0.8
525.11719	6.9
526.11749	0.6
544.43787	0.4
608.61560	0.7
691.38477	0.5
694.06079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56235	0.9
58.98800	1.0
67.05463	0.9
68.07310	0.9
79.05481	1.0
83.91909	1.0
89.12608	0.9
91.05473	3.4
93.37526	1.0
94.06570	6.0
105.07062	1.1
106.06538	1.9
108.08057	1.2
112.57112	0.9
119.04955	2.4
119.08552	3.1
120.04415	1.0
122.06018	25.2
134.05960	2.0
136.07558	15.5
138.62358	0.8
140.07045	1.8
144.04460	2.0
146.05988	10.6
146.09654	1.1
147.04393	2.9
148.07547	10.1
150.09117	1.2
152.07039	4.3
164.07048	10.9
166.08595	8.2
172.03854	5.9
174.05528	4.4
174.09210	1.5
175.03925	5.4
176.07030	14.6
190.05035	5.0
192.06587	1.3
197.10855	1.3
204.06528	7.9
206.08087	1.4
207.06512	15.3
208.09682	2.5
209.10660	1.3
210.11549	2.1
211.12206	2.6
221.10637	2.3
222.11534	1.5
223.12198	2.3
224.09163	1.0
225.10298	4.6
225.13853	1.0
226.07051	2.2
227.11755	1.6
235.08687	1.6
235.12289	2.5
236.09352	1.1
236.13008	2.6
237.10165	9.6
237.13718	1.9
238.10933	12.4
239.11732	14.7
243.11249	1.2
246.07590	1.5
248.09399	3.2
249.10170	6.6
250.10974	6.2
251.11780	12.9
252.12395	2.0
253.13345	3.5
262.10989	1.3
263.11777	17.3
264.08774	3.1
264.12488	3.3
265.09695	6.3
265.13318	28.2
266.10590	2.1
266.13864	2.7
267.11255	4.4
268.11740	1.1
269.12747	1.5
271.14398	8.1
275.11771	1.9
276.08475	1.4
277.09686	9.8
277.13095	2.9
278.10367	3.7
279.11246	100.0
279.72226	1.0
280.11823	10.5
281.12698	3.7
283.10590	3.0
283.13971	1.5
284.11475	1.4
285.12247	1.9
287.13882	3.3
289.15472	2.7
291.11255	6.6
292.12048	2.9
293.12775	10.0
294.13617	2.6
295.10712	8.1
295.14063	2.1
296.11307	4.7
297.12296	57.3
298.13019	9.2
309.12296	42.0
310.13077	20.1
311.13730	5.7
319.10730	8.9
321.12314	11.6
322.12863	2.0
323.10315	1.6
324.11020	1.6
325.11905	4.7
326.12558	1.2
330.12463	1.1
337.11786	96.7
338.12488	26.6
339.13342	64.9
340.13828	4.1
347.12289	2.3
367.12592	1.1
369.14771	9.5
370.15131	2.9
371.15988	28.9
372.16437	2.9
373.13821	5.9
385.14011	1.8
399.11588	6.1
400.16354	3.9
402.17963	2.2
417.12830	2.9
418.17886	1.5
419.18423	1.4
424.16254	1.6
431.14346	2.5
433.15964	2.1
442.17807	5.1
460.18610	57.6
461.19061	5.9
492.21005	3.0
493.21442	1.0
520.20410	2.4
524.20337	4.9
536.19891	1.5
550.17621	1.3
551.18927	2.1
552.19879	1.1
564.19696	50.0
565.20184	6.2
566.21399	8.0
596.22388	13.5
597.22791	1.6
601.26416	6.3
669.24841	3.5
687.26569	45.7
688.26776	2.9
719.29303	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	719.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56664	0.6
64.52914	0.6
65.51537	0.5
67.05499	0.8
89.12991	0.5
91.05511	0.8
93.05762	0.6
94.06562	3.9
106.06554	1.8
108.08131	1.2
117.03373	0.8
118.06534	0.7
120.08083	1.0
122.06025	18.0
122.76086	0.6
124.03970	1.0
134.06021	1.7
136.07561	13.1
140.07069	0.7
144.04388	1.2
145.02823	2.0
146.05998	8.2
146.09633	1.1
147.04443	1.3
148.07570	7.6
150.09193	1.1
152.07025	3.3
158.05937	0.6
162.05458	1.0
164.07056	11.3
166.08630	7.3
172.03972	4.1
173.04776	0.8
174.05495	2.5
174.09145	1.1
176.07063	16.9
177.05399	3.7
190.04985	3.7
191.05707	0.8
204.06593	5.1
209.10713	1.3
210.11511	1.2
211.12338	1.7
218.08167	1.2
221.10672	1.7
222.11275	0.8
223.12334	2.5
224.09294	1.2
224.13060	1.1
225.10286	1.8
225.13748	1.2
226.07062	2.0
226.10684	0.7
227.11691	1.5
229.13229	0.7
235.08699	1.5
235.12216	3.2
236.13081	1.7
237.10178	7.5
237.13893	1.4
238.10960	12.0
239.11748	9.0
241.09459	0.6
246.07721	1.1
247.12375	0.6
248.09486	2.1
249.10158	4.5
250.10913	3.0
251.11786	10.8
252.12584	2.2
253.09872	0.6
253.13269	3.4
255.11256	1.3
261.10281	0.9
262.11063	1.0
263.11789	12.4
264.09012	1.1
264.12424	2.6
265.09787	4.9
265.13333	22.4
266.10388	1.8
266.13864	1.9
267.11276	5.0
268.11969	0.7
269.12848	2.3
271.14389	7.2
275.11664	1.5
276.12622	1.0
277.09827	3.9
277.13058	3.7
278.10464	4.1
279.11267	100.0
280.11893	9.3
281.12714	2.9
282.13654	0.8
283.10706	1.8
283.14261	1.4
284.11569	1.3
285.12350	1.1
287.13879	1.5
291.11221	4.7
292.11865	0.9
293.12814	6.3
294.13412	1.8
295.10748	3.0
295.14398	1.6
296.11566	2.5
296.14893	0.6
297.12320	45.0
298.13007	7.0
299.13867	1.1
303.10995	0.7
309.12302	31.3
310.13074	17.1
311.13815	4.6
319.10733	4.6
320.11304	0.7
321.12357	9.8
322.13010	0.8
323.10306	0.8
324.10989	1.9
325.11758	4.8
326.12537	1.1
337.11804	49.5
338.12518	16.7
339.13376	68.4
340.13867	5.7
347.12320	1.5
365.96671	0.6
369.14362	7.3
370.15070	2.0
371.16055	11.2
372.16583	1.6
373.14078	3.7
385.14111	0.8
386.14420	0.7
399.11642	3.6
400.16446	2.3
417.12619	1.4
418.17548	1.3
431.14447	1.1
432.19269	1.1
442.17538	3.1
460.18665	34.7
461.19238	4.5
462.20132	0.8
492.21338	0.9
494.66974	0.7
520.20709	1.8
524.19922	2.6
536.20135	1.0
551.18530	0.8
552.19708	0.9
564.19714	30.0
565.20325	4.3
566.21332	4.6
596.22333	5.6
597.22473	1.2
601.26764	4.2
601.34814	0.7
643.27570	2.1
669.25586	2.7
687.26587	50.9
688.26788	5.7
719.29034	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	719.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33300	0.4
53.03938	1.6
55.05501	0.8
56.05037	2.2
58.99570	0.9
60.04506	1.0
65.03926	0.6
66.25129	0.3
67.05484	1.6
68.05013	1.0
69.03419	2.0
69.07063	0.8
69.61511	0.8
69.61893	0.7
70.02937	1.3
70.06581	0.9
71.04977	0.4
74.00658	0.6
76.02218	0.6
77.03938	0.4
78.65111	0.3
79.05476	3.0
80.04995	1.0
81.03414	27.8
81.07053	3.1
82.05328	0.4
82.06553	0.5
83.04967	0.6
83.06104	0.9
84.04500	17.8
85.02901	0.7
86.00651	1.4
88.02210	3.0
88.03987	17.2
91.05472	3.9
93.07037	3.5
95.04961	1.6
95.08594	4.0
96.04501	0.5
97.01100	0.6
97.02887	0.8
97.06506	0.3
97.74524	0.4
98.06031	0.8
98.23454	0.4
105.07014	5.7
107.08595	3.3
108.04445	0.9
109.02872	9.4
109.06490	0.7
109.07626	0.5
109.10143	0.9
110.06055	0.9
113.00603	0.5
114.05540	0.7
115.05421	0.9
116.01655	0.6
116.03455	1.3
117.06985	3.6
117.66196	0.3
119.08575	7.7
121.06497	0.5
121.10133	1.8
122.02726	1.9
123.08136	0.4
125.07100	4.3
126.05503	1.8
127.03902	4.4
128.06213	1.2
129.07034	2.4
130.05002	11.8
130.07777	1.0
131.08557	8.0
132.01138	5.0
133.10121	3.6
134.02710	0.7
135.08061	0.8
135.11739	0.3
136.03949	0.4
137.04196	0.6
141.06889	0.9
141.54378	0.4
142.03175	1.1
142.04979	0.5
142.07785	2.3
142.08734	0.4
143.08543	5.6
144.09291	1.4
145.04939	1.4
145.10115	28.2
146.10583	0.5
147.08063	0.5
147.11685	1.9
149.09590	0.6
153.06595	1.3
154.04991	4.6
155.08485	2.2
156.06517	0.9
156.09341	2.5
157.10117	10.4
158.10925	2.7
159.01102	0.5
159.08064	0.6
159.11682	10.8
161.09552	0.4
161.13242	1.7
165.07103	0.5
167.07002	1.1
167.08504	0.7
168.07442	0.4
168.09392	0.4
169.06126	0.5
169.10126	2.0
170.10896	2.6
171.07635	13.1
171.11658	3.5
172.06015	0.4
172.12453	4.4
173.09390	0.5
173.13219	2.3
175.14810	1.3
179.08539	0.6
181.10106	1.4
182.04503	0.6
182.10942	0.7
183.11679	2.9
185.09645	0.6
185.13243	16.6
186.13907	0.4
187.14806	100.0
188.03778	0.7
188.15182	3.7
189.12711	0.5
189.16292	0.4
193.10118	0.9
194.10977	0.9
195.11688	1.3
197.09564	0.6
197.13173	1.2
199.07153	1.1
199.11134	0.5
199.14804	5.2
200.05528	2.0
201.12703	1.1
201.16466	0.6
203.08788	0.5
203.14261	2.0
205.09973	0.5
207.11726	1.1
209.13242	1.7
211.14684	0.7
215.14284	0.6
217.08192	25.0
217.10176	0.8
217.15843	0.7
219.11942	3.0
220.12424	0.7
221.13411	0.6
223.14700	0.5
225.12784	0.6
227.14247	2.0
231.04312	0.8
231.11974	1.1
233.05833	0.7
233.13605	0.5
235.11441	0.7
235.14809	1.0
238.07227	0.6
249.05382	1.4
251.06967	2.8
253.15842	1.7
267.17462	0.6
271.17206	0.7
277.15689	1.7
295.16928	3.5
306.15195	2.7
308.16782	1.2
313.17889	2.7
331.19006	10.1
349.19800	0.5
374.17682	0.5
377.10080	0.4
384.18506	0.8
406.20291	0.6
416.18903	1.1
421.05331	0.4
434.19754	0.9
435.19617	2.2
437.21005	0.6
451.36246	0.4
452.20956	7.2
453.21368	0.5
476.21344	0.8
494.22266	2.5
495.21475	0.7
512.22980	3.6
527.22186	0.4
530.24341	2.1
545.22986	1.1
559.24689	0.4
563.23969	1.3
572.24805	1.0
581.24957	3.7
582.25409	0.6
590.26135	0.6
599.26160	0.7
605.24854	0.9
623.25714	0.8
641.27222	4.8
659.28986	1.7
701.29535	5.1
702.28949	0.6
719.30560	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	719.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01849	0.8
55.05526	0.7
56.05033	2.3
58.99578	1.2
60.04514	0.8
61.25055	0.5
65.03947	0.6
67.05495	1.5
67.42506	0.5
68.05017	1.2
69.03440	2.3
69.07052	0.7
69.61958	1.5
69.62305	0.9
70.02961	0.8
70.06590	0.7
76.02217	0.6
79.05494	2.7
80.05009	1.2
81.03413	27.6
81.07047	2.6
82.06568	0.7
83.06110	1.3
84.04501	16.1
85.02883	0.6
86.00641	1.5
88.02200	2.3
88.03451	1.0
88.03988	16.3
91.05467	3.4
93.07036	2.7
95.04967	1.3
95.08597	3.3
96.04492	0.5
97.01131	0.5
97.02876	1.0
97.06487	0.5
104.96310	0.6
105.07024	5.1
107.08587	3.1
108.04472	1.1
109.02181	0.8
109.02879	9.9
109.06487	0.6
109.10168	0.6
110.06030	1.2
116.01614	1.0
116.03452	1.2
116.06260	0.6
117.06992	3.2
119.08569	7.0
121.10124	2.3
122.02722	2.1
125.07114	4.0
126.05485	1.7
127.03905	4.3
128.06247	0.8
129.06915	1.7
130.04996	11.4
130.07755	0.7
131.08563	7.1
132.01151	5.1
133.10130	3.4
134.02719	1.2
135.08020	0.6
135.11690	0.6
142.03212	1.0
142.07782	2.3
143.08562	5.1
144.09323	1.2
145.04935	1.4
145.10118	23.6
147.08063	0.7
147.11674	2.4
151.05846	0.6
153.06490	0.5
154.05008	3.2
155.08461	1.5
156.06558	1.0
156.09344	1.7
157.10115	9.6
158.10934	2.4
159.11684	9.7
161.09531	0.6
161.13234	1.6
163.05702	0.6
167.07021	1.5
167.08415	0.5
168.09425	0.6
169.10098	2.3
170.10869	2.3
171.07640	13.2
171.11621	3.6
172.06070	0.7
172.12459	3.6
173.13217	3.0
175.14804	1.8
179.08507	1.1
181.10109	0.8
182.10870	0.7
183.11687	2.1
185.13235	16.8
187.14809	100.0
188.15234	3.0
193.10103	0.8
195.11646	1.0
197.13292	2.2
199.07108	0.7
199.14812	4.2
200.05554	1.8
201.12685	1.1
203.14334	2.1
205.10193	0.6
207.11653	1.0
209.13245	1.6
211.14815	1.2
215.14169	0.6
217.08199	26.1
217.10272	1.2
217.15907	0.9
219.11937	2.5
223.14825	1.0
227.14343	1.7
231.04390	0.9
233.06006	0.7
235.14787	0.6
249.05428	1.7
250.92384	0.5
251.06866	3.0
253.15883	1.6
267.17609	1.1
277.15854	1.2
285.18353	0.9
295.16855	3.4
306.15198	3.0
308.16730	1.2
313.18042	2.2
315.42361	0.5
331.19028	10.2
332.19742	0.5
349.19922	0.7
374.17554	0.6
401.25711	0.5
401.76752	0.5
416.18863	1.8
421.05368	0.9
426.19620	0.6
434.20142	1.3
435.19504	2.6
437.20728	0.7
448.21936	0.5
452.21036	7.9
476.21115	0.8
494.21982	2.3
495.22159	0.6
497.22946	0.9
512.23016	4.1
527.21796	0.7
530.23975	1.6
545.22986	1.1
555.23456	0.6
563.24146	0.6
572.25177	1.7
581.25262	3.9
605.25195	1.0
623.26276	0.8
641.27075	6.2
659.27820	1.7
701.29279	7.6
702.11890	0.6
719.18488	0.6
719.30341	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	719.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.1
50.32867	0.6
51.02366	3.1
55.05489	1.2
65.03909	0.6
67.05491	2.2
69.07069	1.1
69.83775	1.5
69.84162	1.1
71.45576	0.6
78.03003	1.3
78.03449	25.7
79.05478	3.4
80.05002	2.9
81.03414	3.9
81.07045	3.2
83.04974	1.4
83.08602	0.6
88.96928	0.7
89.06008	1.4
91.05472	4.5
93.07043	3.0
93.72691	0.6
95.04967	2.1
95.08592	2.8
96.04490	8.7
97.02868	0.7
98.22745	1.3
105.07014	8.5
106.02905	100.0
107.03236	1.4
107.08560	4.3
109.06519	0.7
109.10141	0.9
111.04462	2.2
117.07021	1.5
119.04947	0.7
119.06006	0.7
119.08571	8.5
121.10125	3.1
121.85695	0.6
123.08027	0.6
124.03943	79.8
125.04287	0.8
127.03925	2.0
128.06235	1.0
129.06978	1.7
130.07729	0.7
131.08545	4.4
133.06479	1.7
133.10104	5.0
134.07271	1.2
135.08156	0.9
141.06963	1.1
142.07808	1.9
143.08577	3.7
144.09247	0.8
145.10117	11.2
147.08072	1.0
147.11713	3.9
150.84135	0.6
153.07024	1.0
154.07733	0.7
155.08557	2.9
156.09351	2.8
157.10133	5.2
158.10873	1.9
159.08063	1.2
159.11696	5.5
161.09595	1.2
165.06924	0.8
167.08571	1.7
169.10130	3.9
170.10919	2.4
171.11667	3.7
172.12456	1.6
173.09618	2.0
173.13249	4.6
175.14740	0.9
178.08644	11.4
179.08580	1.3
181.10143	1.2
182.10910	1.5
183.08063	0.8
183.11668	5.6
185.09590	1.1
185.13269	2.7
187.11203	2.4
187.14798	7.4
188.11961	1.3
189.09146	0.9
192.09271	1.1
193.10101	1.5
194.10881	0.9
195.11646	2.3
196.12411	1.0
197.09599	0.7
197.13243	4.7
198.14027	1.9
199.11172	1.0
199.14748	1.5
201.12674	1.7
203.14240	3.3
206.08134	2.4
207.11732	2.5
209.13216	1.4
211.11060	0.9
211.14803	1.8
215.10715	1.2
215.14294	1.9
216.15131	1.4
220.12392	1.4
221.13223	1.3
221.50883	0.6
224.09172	12.1
224.11447	1.2
225.12839	1.0
225.16257	0.8
231.10181	1.5
234.14064	1.0
235.14940	1.8
239.10616	0.8
239.18227	0.7
247.11340	0.7
249.16542	1.5
253.12218	0.7
253.15947	1.1
263.94519	0.7
267.17538	0.9
271.16931	1.2
277.15872	1.0
285.18475	1.0
295.16885	6.7
296.17126	0.7
313.17938	5.8
331.18970	0.8
436.21512	1.1
536.26514	1.6
578.27448	1.4
596.28046	1.4
641.28448	1.0
659.29834	3.6
694.07977	0.8
719.31580	60.9
720.31836	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	720.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03942	0.9
55.01868	0.9
57.03398	0.5
65.03942	3.2
67.05505	1.9
69.03428	2.4
69.11891	2.3
69.12292	0.8
79.05511	0.7
80.05008	0.7
81.03411	5.4
82.04204	0.6
85.02902	3.5
91.05468	0.9
93.03412	2.3
93.05742	0.4
94.62024	0.4
95.04964	1.5
96.04510	0.5
97.02892	2.6
97.06499	0.4
99.04470	0.7
101.49689	0.4
105.04465	0.9
105.07023	0.4
108.02103	1.7
108.04504	0.4
109.02878	2.3
110.03665	1.0
110.06030	0.9
111.04456	4.2
115.05507	0.5
120.08076	0.6
121.02854	0.5
121.03986	0.5
121.06455	0.4
123.04420	0.6
124.03947	9.9
125.05974	3.5
127.03901	1.2
129.07045	1.9
131.04948	0.6
131.08554	2.7
137.05952	2.3
138.05484	3.4
140.04649	2.2
141.05426	1.9
141.06978	2.2
145.02795	0.7
145.04895	0.7
145.06458	0.7
145.10178	0.6
151.03900	100.0
151.04979	7.4
152.04286	1.6
153.05469	0.9
155.07056	1.6
157.06477	1.7
158.07220	0.6
159.08022	1.9
161.05989	0.5
163.07498	1.0
167.07037	1.2
169.04973	9.8
169.06425	1.1
171.06516	1.3
171.07928	0.5
174.06763	4.3
175.07553	1.5
175.14806	0.5
177.05490	0.5
177.09125	0.9
181.04944	35.6
182.05316	1.2
182.08113	4.3
185.13205	0.6
186.06772	1.1
187.14835	1.4
189.09081	10.0
191.07057	1.0
191.10614	0.8
199.06000	2.8
201.09134	2.9
203.10637	0.8
212.09163	0.5
219.10152	42.5
220.10529	1.3
272.86380	0.4
295.08151	5.5
301.25378	0.4
301.38318	0.4
313.09149	6.7
313.17731	0.5
325.09192	1.5
331.15359	1.0
343.10269	1.6
383.15063	0.7
422.05200	0.5
454.22467	1.1
474.40732	0.4
663.42462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.7
56.05022	2.6
58.99579	6.4
60.04510	1.2
64.03744	1.2
67.05509	13.5
69.03419	1.3
69.07063	6.5
70.02952	19.1
70.06580	3.7
70.50104	2.7
71.04988	2.7
71.56871	1.5
74.00648	3.6
76.02225	25.7
76.04004	10.2
79.05473	13.6
81.07056	20.5
82.06561	1.4
83.04987	6.2
83.06089	5.0
83.08605	1.9
84.04501	12.1
85.02882	1.5
85.04032	2.2
85.06525	3.0
86.00648	2.2
86.09717	1.3
86.99105	1.5
88.02225	7.5
88.03978	3.2
91.05474	12.9
93.07040	15.3
95.04936	3.4
95.08602	22.3
97.06512	7.2
97.10201	1.7
99.05566	9.2
99.08089	2.6
100.02189	3.5
105.07024	26.0
107.08584	13.9
109.06557	1.9
109.07645	2.9
109.10148	11.7
111.08094	2.2
114.03745	1.4
115.07566	1.5
116.01673	13.0
116.03445	4.5
117.07055	6.8
119.08564	17.6
121.06511	7.4
121.10125	8.3
123.08061	3.2
123.11674	5.8
124.05178	1.3
126.03737	2.2
128.05302	1.3
128.06195	2.1
129.06671	5.9
130.05002	9.3
130.07678	1.8
131.04515	1.4
131.08568	19.5
133.10127	11.0
133.15996	1.3
135.05470	1.4
135.08003	7.0
135.11697	7.2
137.09607	1.3
141.07045	2.7
142.03241	4.0
142.07791	3.6
143.02713	1.7
143.08562	13.9
143.10658	2.3
144.01135	5.4
145.06073	100.0
145.10115	25.3
147.07933	2.0
147.11681	14.3
149.05974	2.2
149.09601	3.6
149.13242	6.1
151.07518	2.0
153.06584	3.3
155.08403	6.4
156.09323	6.0
157.10132	16.8
158.10857	1.8
159.08109	2.5
159.11687	14.6
160.00749	1.4
161.09622	2.7
161.13274	4.4
162.02191	14.0
163.07497	3.6
163.11172	2.4
165.07179	1.6
168.09348	2.5
169.06081	1.7
169.10120	7.7
170.02744	2.2
170.10977	3.2
171.11691	16.9
172.12416	2.5
173.09697	2.4
173.13240	17.8
175.11205	2.1
175.14746	2.4
177.03282	4.3
177.09033	2.2
179.04854	18.9
181.06113	2.8
181.10146	1.5
183.11661	8.1
185.03806	6.9
185.09590	1.5
185.13272	12.0
187.05269	3.4
187.14821	8.8
189.03273	4.2
189.07205	1.4
191.04890	1.8
191.14227	1.4
195.11636	2.2
197.09650	1.8
197.13246	8.9
199.07115	5.6
199.11182	4.4
199.14830	10.4
201.12720	3.6
201.16312	1.5
203.08856	2.2
203.10580	2.0
203.14224	1.5
209.13310	1.8
211.14828	4.9
213.12872	3.2
213.16385	3.7
215.10693	1.7
215.14310	1.6
217.12236	10.1
219.13913	1.6
225.16397	4.4
227.17982	4.1
229.12236	2.2
231.04291	12.9
231.13765	3.2
233.05876	5.9
243.13741	1.9
245.05746	3.2
253.19470	7.8
255.21042	6.1
271.20529	9.4
273.22147	3.1
274.10370	16.9
281.18811	1.4
289.21545	9.5
291.23260	3.8
299.19925	8.7
299.34839	1.4
306.07343	2.2
307.22687	9.6
308.09079	9.6
316.97141	2.2
317.21149	7.8
317.97409	2.0
318.96802	3.0
335.22202	2.2
346.22021	2.4
363.17529	1.4
364.23010	3.3
374.21371	11.2
392.22552	11.6
393.21021	1.8
402.20975	2.0
410.23608	6.3
411.21777	1.8
420.21896	2.2
421.05447	2.2
422.05502	2.7
432.26035	1.3
438.22882	2.0
449.24136	2.0
467.25687	21.9
468.25751	1.7
469.27194	14.6
470.25912	2.3
477.24023	7.1
478.22748	2.5
488.26569	4.3
495.25143	15.1
502.62872	1.7
513.26276	57.0
514.26337	5.1
516.93732	1.4
521.26685	1.6
523.27948	1.6
531.27454	12.3
541.29279	1.7
567.27246	12.3
573.28320	16.7
585.28296	4.0
591.29492	28.5
596.29669	3.9
598.31396	1.9
627.28986	4.3
642.30414	21.9
643.30164	1.9
645.30627	15.4
660.31616	7.5
702.32501	18.7
720.33563	21.2
721.33252	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	720.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	5.0
61.02936	0.7
62.07704	0.5
67.05507	0.9
69.03432	0.7
69.07056	1.0
69.45064	2.7
71.08274	0.8
71.08630	8.8
73.02906	1.6
73.06570	0.6
74.25867	0.5
79.05473	1.4
81.07059	0.8
83.08641	0.6
85.02876	0.6
85.10181	4.0
87.04465	100.0
88.04807	1.0
89.06039	4.6
91.05482	4.2
93.07043	2.2
95.04966	1.4
95.08610	1.1
102.32733	0.5
103.05476	1.2
104.06290	0.5
105.07028	13.8
106.07371	1.5
107.04949	0.9
107.08605	0.9
117.01797	0.7
118.61679	0.5
119.04962	0.8
119.08566	1.6
121.06523	4.4
131.07043	2.9
131.08568	1.0
133.08623	2.2
135.08080	0.6
135.11697	0.6
145.10242	0.5
147.08066	2.6
149.09598	1.2
163.11266	0.6
165.09129	1.6
175.09628	1.1
177.11311	0.7
184.07349	1.1
191.10733	0.7
209.46611	0.5
219.12270	2.9
247.20581	3.8
273.22269	0.5
291.23169	5.1
335.25729	1.0
344.21564	0.5
385.53143	0.5
720.43396	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	721.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
69.77094	3.5
70.49646	1.3
75.38280	1.2
75.65714	1.3
81.03459	1.3
85.02882	1.4
91.05493	1.7
114.26456	1.3
114.28963	1.3
121.06567	1.7
143.07211	1.1
147.04431	1.5
169.04774	1.6
187.14816	2.1
195.48601	1.3
289.05441	1.3
315.18460	1.6
334.59286	1.3
335.16214	2.2
353.17380	1.3
355.11334	1.9
395.18494	2.0
413.19098	1.9
473.21606	6.3
515.22449	2.0
548.66132	1.2
557.23315	2.9
575.24707	5.9
597.74805	1.3
617.25354	7.6
635.26398	2.7
661.23145	6.5
677.27698	13.7
721.26715	100.0
722.27753	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	722.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.05513	0.4
56.00140	0.2
57.03434	0.3
57.07073	1.0
59.04994	0.9
61.02929	0.2
62.22537	0.2
65.03934	0.2
69.03426	1.7
69.07037	0.2
69.84933	0.6
70.04073	100.0
71.03775	0.2
71.04398	0.4
71.08610	0.2
79.05471	0.2
79.77852	0.2
81.03422	0.4
83.04991	0.5
83.08620	0.7
85.02894	0.5
87.04451	0.3
91.05467	2.5
94.66360	0.2
103.05444	0.3
104.06270	0.2
105.07057	0.4
107.08588	5.0
111.04424	0.4
115.05460	0.6
116.06227	0.4
117.07021	0.4
118.67657	0.2
119.08573	39.3
120.08911	0.6
125.01537	5.5
129.05455	0.5
130.07800	0.3
133.06482	0.5
135.08049	5.8
139.03096	0.7
147.06549	0.4
151.03070	2.3
152.37929	0.2
165.04689	0.7
179.06177	0.3
246.95718	0.2
259.41132	0.2
281.13736	1.0
308.15210	63.4
309.15506	2.5
415.21152	1.2
466.11209	0.2
473.27969	0.2
660.23767	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	722.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01862	5.4
55.05502	11.5
57.03452	4.6
57.07067	7.9
59.04992	5.7
59.89490	1.7
61.02906	2.3
61.12316	2.0
63.58057	1.5
66.28281	1.9
67.05493	13.9
69.03423	11.1
69.07063	46.3
69.76061	7.4
71.04999	3.8
73.02903	3.2
73.06558	2.2
77.03967	2.7
79.05480	11.9
81.03412	36.4
81.07044	11.0
83.04974	5.6
83.08617	23.1
85.02898	26.7
87.00829	9.7
87.04456	7.9
89.06024	59.8
91.05471	17.5
93.07034	33.2
95.04951	18.8
95.08600	7.0
97.02886	8.2
97.06528	2.8
97.10168	4.7
98.23438	2.5
99.04445	5.1
102.04900	1.8
103.05460	4.6
105.01862	7.0
105.04517	4.3
105.07005	9.5
107.04953	9.4
107.07086	2.4
107.08585	8.3
109.02871	11.1
109.06509	4.9
109.10165	2.6
111.29197	1.8
117.07023	4.6
119.04944	5.2
119.08554	9.8
121.06492	78.9
121.10144	5.8
123.08052	3.2
125.09616	3.3
125.13260	3.7
127.03909	13.7
129.07011	5.1
131.08568	5.2
133.06506	12.5
133.08591	40.8
133.10120	4.3
135.08083	5.6
135.11696	5.9
143.08549	2.2
143.14282	4.1
145.04976	3.3
145.06500	2.2
145.10103	5.3
147.04370	4.2
147.08028	13.8
147.10214	2.4
147.11674	3.3
149.09593	4.5
153.12680	2.1
157.10150	3.2
159.02870	4.3
161.09613	6.4
163.11179	7.7
165.09097	23.3
173.09561	3.2
175.11211	4.9
177.11237	8.3
193.12292	4.6
205.12135	1.7
209.11644	12.7
227.12790	7.5
231.05003	2.4
245.19029	2.1
267.15939	18.2
271.15439	2.6
277.21649	3.9
283.15411	12.8
289.21603	4.1
307.22644	3.3
313.17953	2.2
315.17984	100.0
316.18427	2.6
365.20639	2.5
383.22092	5.2
401.23129	3.6
439.30383	6.9
457.25681	16.4
457.31503	88.1
458.32034	3.9
475.20444	3.5
475.26898	52.3
476.26944	2.6
480.67108	2.0
493.27924	6.1
513.66510	2.1
722.27277	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	722.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02738	0.5
55.05511	1.3
57.07072	19.9
59.04996	1.1
64.98450	0.6
67.05516	0.8
69.03455	0.8
69.07068	2.5
71.08627	40.1
73.02906	1.3
73.06554	2.9
77.03920	0.9
83.08582	0.7
85.09693	1.2
85.10179	20.5
87.04462	25.5
89.06026	100.0
90.06352	1.2
91.05475	10.8
91.07575	0.7
93.07043	6.5
95.04975	1.7
95.08597	1.0
97.48403	0.6
103.05492	1.5
105.04477	1.1
105.07011	4.0
107.04948	1.8
107.07079	1.5
107.08600	2.9
117.07003	1.3
117.09145	1.9
118.07805	1.5
119.04919	2.3
119.08566	3.9
121.06497	18.2
121.10126	1.4
123.08120	0.6
127.14834	1.7
130.08627	0.9
131.07040	9.8
131.08585	1.6
132.09320	1.0
133.08597	67.2
134.08965	0.8
135.08028	4.7
135.11707	1.8
145.10150	1.1
147.08049	8.2
149.09595	4.6
149.13289	0.9
149.52516	0.7
150.06784	1.1
159.11658	1.1
163.07596	0.8
163.11215	2.9
165.09091	6.5
167.10692	2.0
173.09587	0.9
173.13327	0.7
175.09676	7.3
175.11105	1.2
177.11212	25.2
178.11661	0.6
184.07291	0.8
191.10670	2.7
191.14316	0.7
193.12289	2.5
209.11707	2.9
211.13297	2.5
219.12335	1.7
221.13789	4.8
231.92703	0.6
235.13329	2.4
239.14876	1.2
247.20561	16.2
253.14343	1.0
255.15959	2.5
265.16501	1.6
273.22104	4.1
273.74759	0.7
279.15915	1.4
283.17505	0.9
289.21915	0.8
289.25250	1.9
289.63531	0.6
291.23184	26.3
292.23523	1.0
299.18506	1.0
309.19199	1.5
317.24829	2.5
323.18481	0.9
333.24542	0.9
335.25745	7.8
359.20856	0.8
579.33508	2.0
705.47992	4.2
722.50513	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	724.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
55.05510	13.8
57.03436	14.4
59.04995	1.6
60.02991	1.1
61.02921	1.8
67.05505	21.7
67.19692	0.8
69.03423	4.9
69.07052	5.8
69.12260	6.5
71.01328	1.1
71.04989	3.7
73.02908	3.7
73.04048	1.1
79.05492	23.3
80.22020	0.9
81.03413	85.1
81.07054	21.5
83.04972	10.8
83.08617	22.1
85.02911	12.4
85.06550	1.4
86.06956	1.0
87.04470	4.5
89.06018	11.7
91.05478	29.3
93.07047	13.7
95.04965	29.7
95.08591	8.4
97.02874	4.1
97.06525	4.1
97.10146	6.2
103.03884	1.3
105.07021	19.8
107.04955	9.0
107.08589	9.8
109.06516	3.3
109.10161	6.0
111.04425	2.2
111.08081	7.7
113.05991	2.1
115.05440	2.0
117.07011	3.1
119.04915	2.1
119.08574	17.6
121.02846	1.4
121.06503	4.4
121.10131	8.4
123.04404	1.2
123.08088	3.0
125.09631	3.2
128.06183	1.6
129.07002	13.2
129.78816	1.0
131.04939	1.4
131.08572	12.1
133.06532	4.8
133.08600	8.2
133.10106	9.1
135.08015	1.3
137.09644	1.7
142.07765	3.0
143.08565	2.0
145.06450	5.8
145.10130	3.2
147.04405	2.0
147.08052	4.6
147.11671	10.8
149.09621	6.7
155.08574	1.4
157.06471	1.3
157.10121	13.5
159.07957	1.3
163.11151	2.3
165.12787	2.2
175.11171	11.4
177.11230	3.1
189.11232	1.7
193.12231	33.1
195.11717	1.5
211.11375	1.9
211.13272	17.9
221.09555	1.2
222.44014	0.9
227.12672	1.5
229.14314	1.8
233.15488	1.3
249.14891	1.9
255.13835	1.5
267.15887	100.0
268.16379	3.1
273.14886	3.3
281.13983	5.4
285.16953	18.6
306.85001	1.0
339.23181	0.9
342.06140	1.2
349.21719	3.1
367.22635	11.0
385.23532	11.2
403.24808	2.6
415.24734	1.6
433.25809	14.5
441.26392	4.9
459.27390	67.3
460.27908	5.0
477.28455	46.5
478.28549	2.7
519.29645	1.3
578.16565	1.1
731.05499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48222	0.3
55.05515	0.4
56.05033	0.6
69.07049	2.2
70.06586	100.0
71.06917	0.6
72.08143	2.3
82.06567	0.5
84.04501	3.7
84.08131	0.4
86.09700	26.5
87.04474	0.5
90.40755	0.4
98.06050	0.6
98.23595	0.7
102.05527	5.7
103.03927	1.9
110.06017	0.8
115.08672	0.8
116.07072	5.3
123.08084	0.8
128.07124	0.4
129.06551	0.6
130.04982	0.9
134.62843	0.4
150.96155	0.4
151.03903	0.4
153.17415	0.4
155.08153	5.1
157.13361	0.6
167.11743	2.0
169.13342	20.5
173.09203	11.0
177.05530	0.4
183.07666	4.4
183.14937	0.5
194.02661	2.4
197.12839	7.2
199.10812	0.8
201.08688	9.6
211.14392	1.0
215.13890	67.2
216.14252	1.5
219.01105	0.5
227.10287	2.5
227.13828	1.5
247.05934	0.8
253.63197	0.5
255.13446	1.0
264.21829	0.4
268.16513	1.3
286.17615	0.7
296.16013	2.2
297.05383	1.6
298.13940	1.5
310.17487	1.0
310.21176	1.0
314.17096	6.2
314.20547	0.8
326.17078	2.2
365.21539	0.4
368.21753	2.5
393.21198	1.3
397.20804	7.1
411.26263	16.5
412.26331	0.5
464.28427	1.2
464.95139	0.4
482.29745	2.5
492.27698	1.4
510.29132	7.5
524.33978	0.7
577.14636	1.0
620.27283	0.4
631.15680	0.8
706.18829	0.7
719.02838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95928	0.1
53.03938	0.4
55.01862	0.3
57.03429	0.2
61.02914	0.3
61.94099	0.1
62.43154	0.1
69.03425	1.8
70.06815	0.4
71.04942	0.2
71.57163	0.1
73.02911	0.3
81.03413	1.2
85.02906	2.1
87.00814	0.7
91.05452	0.2
97.02882	0.9
99.04435	0.3
105.01855	0.3
109.02869	0.6
118.04179	0.8
119.04984	0.2
121.02834	0.4
124.01504	0.2
127.03901	1.1
135.40004	0.2
136.01520	0.4
140.15036	0.2
145.04933	0.4
147.04404	0.2
149.38997	0.2
152.01050	0.6
153.01778	0.3
154.02567	0.4
159.02869	0.5
181.01324	0.2
182.02069	0.5
197.04425	1.7
198.01576	0.4
226.06140	0.2
231.05055	0.2
242.05704	0.1
253.05014	1.0
254.05699	3.0
264.04315	0.2
269.04395	0.6
270.05179	0.5
271.06012	7.1
272.06323	0.3
281.04489	0.6
282.05231	4.0
283.05927	1.7
285.03998	0.5
286.04770	0.4
299.02090	0.3
299.05475	6.6
300.06256	12.3
301.06650	0.6
315.08588	100.0
316.08954	4.6
357.10010	0.2
423.10217	0.2
477.13892	10.3
478.14240	0.4
621.50647	0.1
733.76550	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	725.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43200	0.3
53.03942	0.3
65.03923	0.5
68.99753	0.2
69.03423	1.8
69.53938	1.2
73.02915	0.3
81.03391	0.7
83.82503	0.3
85.02917	1.8
87.00832	0.3
91.05473	4.0
97.02891	0.6
105.01849	0.3
105.03381	0.7
109.02866	0.8
118.04150	1.1
119.04939	7.7
121.02884	0.4
127.03889	1.1
136.01563	0.8
137.83125	0.2
140.83659	0.2
145.04915	0.3
147.04398	29.8
148.04765	0.7
152.01060	0.7
153.01814	0.4
154.02641	0.6
166.99696	0.3
182.02061	0.6
197.04431	1.9
198.01558	0.6
253.04893	1.2
254.05714	4.6
255.06279	0.3
267.06549	0.5
269.04459	0.8
270.05313	0.3
271.05975	10.4
272.06305	0.5
278.05594	0.6
279.06436	1.4
281.04428	1.0
282.05179	4.8
283.05939	2.4
285.03958	0.6
286.04727	1.0
291.06326	2.3
292.07190	0.8
293.04474	0.3
293.07938	0.5
297.07553	1.0
299.05487	9.7
300.06244	14.4
301.06796	1.6
303.06729	0.4
305.08096	0.8
309.07144	1.2
309.09723	2.0
315.08588	100.0
316.08951	5.5
317.08035	0.6
321.07529	2.5
325.07108	0.5
331.09521	0.5
333.07578	0.6
335.09113	0.6
345.07495	0.5
359.09363	0.4
363.08536	1.3
375.08530	0.7
387.08463	0.9
405.09476	0.5
409.10358	0.4
423.10754	0.5
441.11765	0.4
455.11145	0.9
467.11008	0.5
477.13934	3.6
485.12341	1.8
509.12277	1.7
539.13245	0.9
545.12750	0.7
551.13165	0.8
563.13867	8.9
569.14178	0.9
575.15533	0.9
587.15259	1.7
605.16229	1.0
629.16016	1.0
659.16302	0.3
689.17920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
65.03931	2.2
69.03426	0.8
69.62642	0.8
72.42772	0.3
73.92902	0.3
85.02894	0.6
91.05477	14.2
95.04987	0.5
105.03389	2.5
106.61005	0.2
107.04931	0.5
119.04935	29.2
120.05260	0.6
127.28931	0.3
129.03336	0.4
131.04846	0.5
145.06473	0.4
147.04399	100.0
148.04721	2.2
171.04443	0.7
189.01851	0.6
191.03348	0.9
195.02802	0.3
198.96944	0.5
201.01772	0.3
201.05408	0.3
203.03410	0.5
207.02925	0.3
219.02890	0.6
251.06989	0.5
252.07895	0.4
263.07047	0.6
265.08618	0.9
267.06470	1.0
268.07263	0.6
275.07132	0.3
277.08444	0.4
278.05768	2.5
279.06488	5.5
280.07214	0.6
281.08017	0.8
289.08478	0.3
290.94125	0.3
291.06427	7.0
292.07175	2.5
293.05194	0.2
293.08035	5.1
297.07550	3.1
303.06653	1.5
303.09680	0.3
304.07162	0.3
305.07999	2.7
306.08591	0.7
307.05969	0.5
307.09485	0.3
309.06931	5.9
309.10196	1.8
317.08023	0.7
319.06042	0.4
319.09515	0.4
321.07541	16.5
322.08044	0.8
323.08862	0.5
329.07843	0.4
331.09439	1.7
333.07648	2.6
334.08182	0.4
335.09125	2.2
339.08618	3.1
345.07599	2.0
345.11099	0.3
347.09167	0.6
347.64191	0.3
349.10614	0.6
351.08566	1.0
357.07599	0.6
359.09109	1.1
361.06836	0.4
363.08536	4.8
375.08643	2.8
381.10178	0.4
387.08740	2.8
393.09879	1.5
395.09009	0.4
396.09930	0.6
397.10529	0.4
399.10547	0.9
405.09717	4.2
409.10843	1.2
410.36246	0.4
411.10873	1.0
413.12259	0.5
417.11798	1.9
419.12497	0.4
421.10461	1.2
423.10730	3.5
429.09433	0.4
437.10135	0.6
439.11755	3.3
441.11795	14.7
442.11926	1.0
447.11124	0.3
449.09875	2.0
451.11823	0.3
453.09576	0.7
459.12799	3.9
460.12827	0.4
463.11679	0.6
465.12073	1.9
467.11139	3.8
477.12335	0.3
483.12805	1.2
485.12292	5.6
486.12625	0.7
489.11661	0.7
491.11307	1.0
495.12961	0.9
505.12717	0.4
507.13043	1.7
509.12262	0.4
523.13989	0.3
525.13965	1.5
529.13300	0.3
533.12152	1.1
541.14679	0.6
543.15320	1.7
551.12988	1.3
561.16071	1.4
569.14392	3.5
579.16766	0.3
587.15436	4.6
605.16467	7.6
606.16797	0.4
671.05011	0.3
689.18317	0.7
707.19861	0.6
725.20667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85872	0.2
58.81741	0.2
61.02940	0.3
65.03934	1.4
69.03440	1.7
73.02914	0.5
77.65225	0.2
81.03418	0.3
81.10155	0.2
83.05003	0.3
85.02888	0.8
91.05476	12.0
92.05858	0.3
95.04987	0.4
97.02861	0.3
105.03383	3.5
105.04506	0.3
107.04975	0.6
109.02856	0.5
119.04938	26.2
120.05244	0.5
121.02834	0.6
127.03903	1.0
131.04857	0.4
145.06447	0.4
147.04399	100.0
148.04732	2.1
151.03922	0.9
157.06526	0.3
165.05455	0.4
168.83177	0.2
189.01836	1.1
189.05400	0.4
191.03366	0.8
203.03294	0.5
207.02859	0.5
215.03448	0.3
219.02765	0.4
229.05026	0.3
251.06897	0.4
252.07759	0.5
254.05624	0.5
263.06891	0.4
265.08575	0.7
267.06375	2.1
271.06006	3.9
275.07190	0.4
278.05786	2.5
279.06525	5.2
280.07233	0.6
281.08115	0.7
285.04053	0.3
289.08881	0.3
291.06396	7.5
292.07187	1.7
293.08029	1.6
297.07544	3.8
299.05341	0.3
300.06345	0.8
303.06650	1.4
303.09576	0.3
304.07117	0.4
305.08075	1.6
306.08704	0.4
307.06189	0.3
307.09650	0.8
309.07315	4.1
309.09818	4.8
315.08600	5.0
317.08115	1.3
319.06140	0.3
319.09674	0.4
321.07544	9.6
322.07883	0.5
331.09610	1.1
333.07587	1.6
335.09091	2.0
339.08572	0.9
345.07541	2.2
349.10730	0.5
351.08624	0.8
357.07480	0.6
359.09152	0.7
363.08636	6.2
369.07654	0.4
375.08496	2.7
381.10260	0.5
387.08545	3.1
393.09839	1.0
399.10852	0.5
405.09543	1.7
409.10648	1.9
411.10944	0.6
423.10623	1.3
425.46448	0.3
435.12198	0.3
437.09882	0.5
439.11780	0.9
441.11945	1.3
447.09491	0.5
455.11227	2.9
465.11652	0.9
467.11215	2.3
477.13467	0.4
477.26367	0.3
485.12256	6.5
486.12616	0.5
489.11691	0.4
507.13004	0.3
509.12341	4.8
510.12616	0.7
513.13153	0.3
533.12201	0.8
539.13367	2.3
543.15375	0.5
551.13348	2.8
552.13257	0.3
561.15887	0.3
563.14459	0.5
569.14441	2.1
575.15533	2.8
587.15497	4.5
605.16534	2.3
629.16504	2.7
641.16083	0.7
653.16199	0.5
659.18036	0.5
671.16504	0.4
689.18921	1.6
707.19012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57879	0.7
55.05507	1.7
56.05018	2.6
68.31298	0.8
69.37566	4.3
70.06587	100.0
70.68238	0.8
71.06902	1.1
72.08152	18.9
73.49667	0.7
74.06073	16.6
75.03705	0.7
75.10671	0.8
84.04509	0.9
84.08134	16.2
86.06057	6.9
98.06046	12.2
98.22717	1.7
110.06020	5.4
114.05517	10.0
126.05502	10.9
127.08676	3.8
129.10223	7.8
130.05014	1.9
130.08632	11.1
134.26488	0.8
145.09689	4.7
147.11279	17.2
153.10249	1.9
155.08128	11.1
157.09778	1.5
167.11826	2.9
169.13356	22.5
171.11316	1.5
173.09250	1.1
181.09706	2.2
185.09207	12.1
194.02718	1.0
195.11241	5.2
197.12823	7.1
215.13922	5.7
224.13988	1.9
240.13470	1.9
242.11292	1.9
246.18092	4.2
258.14462	1.1
266.18723	2.5
268.12909	9.8
286.13950	2.2
287.05411	1.2
294.18063	6.6
296.16306	0.8
312.19080	6.0
337.18634	0.9
339.16528	1.2
343.23352	8.0
365.18314	2.7
422.27689	2.6
440.28656	44.2
441.29105	1.8
489.93811	0.8
541.33704	1.6
681.38867	2.0
707.41022	4.5
725.41870	79.5
726.42096	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	726.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
52.85614	0.3
55.01870	0.6
55.05500	1.0
57.03433	0.8
61.02923	0.6
65.03933	7.0
67.05495	3.5
69.03423	2.2
69.07069	0.5
69.58020	1.8
72.74030	0.3
79.05486	1.8
81.02984	0.6
81.03399	2.9
81.07052	1.1
83.04964	1.3
83.08614	0.8
85.02465	0.4
85.02909	2.0
87.00856	0.4
89.03899	0.5
90.53913	0.4
91.05470	20.1
92.05823	0.5
93.03400	5.4
93.07019	1.0
95.04957	2.5
95.08611	0.9
97.02882	87.1
97.10219	0.4
98.03210	1.0
99.04449	0.6
103.05453	0.6
105.07004	0.9
107.04947	1.3
107.08585	0.9
109.02874	1.1
109.10144	0.7
111.04410	1.9
111.08080	0.4
115.05369	0.7
117.06979	1.1
119.04929	30.1
119.08578	0.7
120.05226	0.6
121.02858	2.6
121.10113	0.8
123.04440	1.5
125.02350	1.5
127.03912	1.3
129.05469	0.5
129.06975	0.8
131.04898	1.3
131.08540	1.8
132.02055	0.9
133.02907	0.5
135.04456	0.4
135.11688	0.4
139.03868	1.2
140.04659	2.1
141.06972	2.4
144.05701	2.4
145.02827	0.5
145.06458	0.8
147.04391	26.4
148.04782	0.7
149.02313	9.2
153.05446	0.5
154.06226	2.2
155.04912	0.5
155.07027	2.4
157.03951	3.3
157.06493	0.7
159.08052	3.4
161.05942	0.6
163.11110	0.4
164.04622	1.3
167.03381	45.5
168.03676	0.8
168.05705	0.8
169.06445	2.0
173.05994	0.7
175.03889	51.0
176.04283	1.2
177.05467	0.5
179.07008	2.2
181.04990	2.7
181.06351	0.5
186.06732	0.8
187.07527	5.1
192.04169	0.6
196.05212	0.6
197.05933	2.8
199.07623	0.5
207.06499	100.0
208.06848	2.7
208.39153	0.4
214.06198	0.7
215.07028	2.4
217.08478	0.5
218.09369	1.6
219.06506	3.9
219.10098	3.8
220.10503	0.4
229.08563	7.0
242.05792	0.7
243.06482	1.7
247.09637	4.6
257.07990	3.6
267.15814	1.9
275.09091	18.1
276.09439	0.4
283.15036	0.5
285.16754	0.5
287.14999	0.5
303.08554	5.6
308.35373	0.5
321.09644	26.7
322.10004	1.1
339.10706	4.8
355.10330	0.7
455.11880	0.5
461.28851	1.4
493.27148	0.6
514.89313	0.4
587.08740	0.4
587.16125	4.5
588.15436	0.6
624.26385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73996	0.4
57.03424	1.6
62.91518	0.4
68.99790	0.7
69.80766	0.8
69.81126	0.8
70.06586	4.2
79.05484	1.3
91.05466	2.3
95.04965	1.3
97.06507	0.9
101.60355	0.4
103.05453	1.5
105.03382	0.7
107.04954	1.7
109.06482	0.7
119.04960	2.2
123.04436	0.7
125.06009	1.3
131.04927	5.5
135.04468	0.9
137.05984	2.5
147.04424	3.4
153.05360	0.5
165.05499	1.0
169.01360	0.7
174.05470	0.6
175.03897	6.5
179.03419	1.7
181.01324	1.5
183.02844	0.9
192.06555	0.6
193.04959	7.6
195.02914	5.3
199.02361	1.2
202.05049	0.5
203.03427	3.2
209.04465	3.9
220.06039	1.8
221.04446	99.9
222.04726	2.7
233.09308	0.4
238.07083	6.4
239.05443	4.1
239.07330	0.5
241.04875	0.8
269.04465	0.9
283.09488	2.6
289.08569	1.4
299.09195	1.1
307.09766	1.1
313.10757	1.2
325.10687	10.5
326.01520	0.4
326.10971	0.8
342.13348	100.0
343.13696	4.6
439.19452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
56.05027	0.2
57.03432	1.2
65.03943	0.3
67.05482	0.5
68.99791	1.1
69.03423	0.3
70.06586	4.5
79.05495	1.4
81.03411	0.4
81.06474	0.2
81.07021	0.5
83.04939	0.2
88.03980	0.2
91.05476	2.4
95.04956	1.6
97.06503	0.9
99.04452	0.2
103.05460	1.7
105.03374	0.7
105.07014	0.3
107.04939	2.3
107.74734	0.2
109.06507	1.0
109.07149	0.2
111.66007	0.2
117.06969	0.4
119.04920	3.1
121.02853	0.3
123.04424	0.9
125.05989	1.2
127.03832	0.2
131.04926	5.6
135.04401	0.8
136.07469	0.2
137.05980	3.1
140.19478	0.2
146.05966	0.3
147.04382	3.4
148.52509	0.2
149.06006	0.2
151.03859	0.9
153.01791	0.9
153.05482	0.5
154.08582	1.0
159.04387	0.3
165.01808	0.8
165.05492	1.3
165.90245	0.2
167.72452	0.2
169.01292	0.9
169.04953	0.6
171.14127	0.2
174.05458	0.4
175.03896	5.8
177.05420	0.5
178.02512	0.5
179.03358	1.8
181.01311	1.5
183.02884	0.8
192.06578	0.5
193.01277	0.4
193.04939	9.6
195.02861	5.1
195.06541	0.8
199.02390	1.8
202.04921	0.5
203.03412	3.6
205.04941	0.2
205.10220	0.2
207.02850	0.2
209.04434	3.4
211.02414	0.6
211.05865	0.2
215.08650	0.2
220.06004	1.5
221.04430	100.0
222.04770	2.8
222.07608	0.5
229.12178	0.6
237.09087	0.2
238.07077	6.8
239.05449	4.6
239.07655	0.4
243.07889	0.3
256.11691	0.4
271.06006	0.7
274.72473	0.2
279.10117	0.4
282.09583	0.4
283.09622	2.8
289.08655	1.1
299.05481	2.3
299.09106	1.6
307.09698	1.0
313.10672	1.0
324.12012	0.5
325.10663	9.7
326.10788	0.4
342.13324	94.5
343.13663	3.7
386.15897	2.1
547.10541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35811	0.3
57.03417	1.5
57.75941	0.4
67.05479	0.5
68.99785	0.9
69.65937	1.3
70.06590	4.5
72.87897	0.3
79.05466	1.2
81.07026	0.4
85.02886	0.5
88.13721	0.3
91.05470	2.2
95.04945	1.5
97.06517	0.9
103.05445	1.8
105.03381	0.7
107.04950	2.6
109.06498	1.2
110.67200	0.4
119.04938	3.3
123.04413	0.5
125.05974	1.3
126.91406	0.4
131.04919	5.5
135.04427	1.0
137.05963	2.4
147.04405	4.7
151.03899	0.8
153.05408	0.4
165.01839	1.0
165.05452	1.2
169.01318	0.9
175.03900	5.6
178.02541	0.6
179.03398	1.3
181.01314	1.5
181.05014	0.4
183.02901	0.8
192.06563	0.8
193.04951	9.2
194.60483	0.4
195.02867	4.4
195.06503	1.0
199.02379	1.3
202.04976	0.7
203.03377	3.4
209.04546	2.8
215.08534	0.6
220.06000	2.0
221.04436	100.0
222.04723	2.9
238.07089	7.5
239.05499	4.7
243.50618	0.4
279.10120	0.6
283.09586	2.7
289.08438	1.0
299.09048	2.2
307.09549	1.0
309.07938	0.4
313.10641	0.9
324.12323	0.5
325.10660	10.5
326.10904	0.6
342.13336	99.6
343.13647	4.3
574.30743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24565	0.3
67.05492	0.6
69.03444	0.3
79.05510	0.7
81.03416	0.6
81.07052	0.8
85.02882	0.4
85.52113	0.3
87.04472	0.3
91.05470	1.2
93.07054	0.6
97.02892	0.7
97.10156	0.4
105.07022	0.5
107.08581	0.6
119.04942	1.0
121.02862	0.8
147.04384	2.1
148.04764	0.8
155.48703	0.4
175.03946	1.0
176.04333	0.5
183.89711	0.4
187.38905	0.4
193.84357	0.4
203.05266	0.8
207.06491	3.0
208.06882	1.4
209.48254	0.3
232.40204	0.4
253.12411	0.5
259.07959	0.5
269.24527	0.4
331.10056	1.4
338.46777	0.5
390.31903	0.4
445.15683	0.6
447.17786	6.4
447.23581	0.5
463.17313	2.8
471.22327	0.5
491.16656	7.2
493.22101	0.7
512.23663	0.5
521.21356	2.5
529.24304	0.5
530.24872	1.4
537.20978	1.8
547.19604	0.8
565.20313	5.3
655.27307	0.9
683.26196	1.8
699.26453	1.8
709.23334	0.4
727.25574	100.0
728.25909	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	727.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31675	0.4
66.58602	0.4
67.05519	0.9
69.14156	0.4
81.03424	1.0
81.81035	0.4
85.02888	0.8
87.04459	0.6
91.05500	1.0
93.07050	0.9
95.08600	0.8
96.94621	0.4
107.08610	0.9
116.43459	0.4
119.08640	0.7
121.02879	0.6
121.10146	0.4
147.04414	0.6
168.24416	0.4
188.66269	0.5
193.12277	0.5
203.05295	0.8
251.93642	0.5
331.10098	1.0
419.18076	0.8
440.44635	0.4
447.17682	6.4
463.17258	1.4
491.16663	5.5
493.22015	1.3
497.20645	0.4
512.23743	0.7
521.21503	2.9
530.24976	0.6
537.21240	1.5
563.20667	0.5
565.20575	4.4
597.01105	0.5
655.27039	1.5
683.26324	1.8
699.26788	1.1
727.25635	100.0
728.25830	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	728.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85213	2.1
55.01872	2.5
62.21364	2.1
65.03963	2.4
67.05503	6.2
68.05035	2.5
69.03434	6.3
70.02956	6.8
76.04021	4.7
79.05495	5.6
81.03410	10.4
81.07034	5.4
82.06548	3.0
83.04993	5.6
83.06096	2.2
84.04496	13.4
88.02222	5.9
91.05489	6.9
93.07053	6.3
95.04973	5.2
97.02911	5.4
99.05584	4.0
100.02207	5.2
101.00691	2.1
105.07047	8.8
107.08591	6.6
108.08086	2.3
109.06514	2.4
111.04458	4.8
112.02174	6.1
112.07620	3.6
113.05960	3.3
114.03746	10.0
116.01728	3.6
116.03433	2.5
117.07014	3.4
119.04957	5.0
119.08570	11.6
121.06520	2.7
125.07074	2.4
126.03715	3.7
129.06953	6.9
130.05013	6.7
131.08571	8.0
133.10158	9.7
135.08034	2.5
137.05959	3.8
140.05284	6.6
142.07777	2.9
143.08571	8.1
145.06058	27.7
145.10115	9.6
147.04430	8.6
147.08084	2.9
147.11705	2.7
148.04744	2.6
148.07558	2.9
149.02448	2.1
155.08482	5.4
157.10095	11.3
159.08017	4.3
159.11748	5.2
161.09596	6.3
163.07529	3.2
163.11147	4.6
167.08514	3.1
168.09296	3.0
169.06131	3.0
169.10164	6.5
171.07942	3.5
171.11705	3.2
173.09651	7.7
175.03960	6.3
175.11209	4.4
176.04221	3.3
179.08582	2.5
181.10199	4.9
183.11717	7.0
185.09479	2.4
185.13234	2.9
187.11241	9.5
192.06520	2.3
195.11784	4.2
199.07117	4.2
199.11334	2.7
206.08327	2.7
207.06528	10.1
208.06848	5.5
209.07143	2.4
209.09587	3.2
209.13301	4.0
211.11215	6.0
217.06505	7.4
231.04384	8.2
255.13783	5.8
257.07767	5.6
273.14832	15.9
336.22946	2.3
362.17758	2.4
386.18002	6.5
404.18829	2.8
471.19135	10.6
489.20554	51.2
490.20636	4.1
497.21039	8.0
525.20508	11.2
543.21265	8.8
561.22308	9.9
574.25531	4.9
582.22577	3.7
600.23590	29.8
618.14502	4.9
618.24756	100.0
619.25128	7.0
636.26221	10.8
729.27295	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	729.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83067	0.3
53.03932	0.6
55.01865	0.7
57.03413	0.3
65.03944	2.2
67.05505	2.5
69.03416	0.7
69.10571	2.2
77.03904	0.4
81.03426	0.6
85.02901	1.0
93.03408	0.3
95.04955	2.0
98.23448	0.5
100.66824	0.3
105.03412	3.2
105.04494	0.6
108.02089	2.7
109.02882	0.5
111.04448	0.6
113.77550	0.3
121.02953	0.3
121.03998	0.5
123.04449	0.6
131.04883	0.4
136.01544	0.8
141.05458	2.5
151.03906	100.0
151.05008	10.5
152.04210	1.8
161.05965	0.7
163.03928	0.5
169.04922	0.4
189.01819	1.0
191.03380	1.3
191.40259	0.4
195.02951	0.6
201.01814	0.4
203.03337	0.7
204.00587	0.4
205.04895	0.5
207.02899	0.5
217.04999	0.6
252.07718	0.6
255.02924	0.3
255.06448	0.6
263.07025	0.8
265.08594	1.1
267.06561	1.6
268.07297	0.4
277.08691	0.6
278.05731	3.4
279.06537	9.8
279.09607	0.5
280.07114	0.9
281.08118	0.9
289.08972	0.3
291.06525	8.0
292.07230	2.8
293.04645	0.5
293.07953	4.0
295.08377	0.5
297.07495	1.5
301.06848	1.5
303.06522	1.5
304.07187	0.8
305.08096	2.5
306.08835	1.2
307.06311	0.4
307.09610	0.6
309.07553	8.4
313.09140	4.4
315.10010	0.3
317.08109	1.5
319.09647	1.4
320.06775	0.6
320.78174	0.4
321.07553	12.8
322.07755	0.5
325.07288	0.4
329.08191	0.7
331.09619	1.7
333.07507	4.1
335.09091	2.3
339.08719	3.2
343.09863	0.5
345.07581	3.0
347.09262	0.7
347.40494	0.4
349.10703	0.9
351.08450	0.6
357.07629	1.0
359.08984	1.2
363.08643	6.4
369.07617	0.6
371.09253	0.4
373.10510	0.5
375.08719	4.6
375.13116	0.6
387.08685	4.5
393.09695	3.2
399.09265	0.4
405.09671	4.4
411.10544	1.1
417.10202	0.4
423.10690	4.1
429.09616	1.3
441.11801	11.3
442.12061	0.8
447.10388	0.9
453.10291	0.4
459.12497	1.9
465.11844	2.2
471.11209	1.5
477.11835	0.7
483.13220	0.4
489.11963	2.6
495.12601	0.8
507.12943	2.3
513.11890	1.8
525.13989	1.5
543.13263	2.0
555.12421	0.9
561.13666	1.7
573.14050	1.7
578.08386	0.3
579.15070	0.8
591.14935	4.2
609.15741	2.7
615.14417	1.6
633.15967	1.1
645.15503	0.4
657.15662	0.6
675.17004	0.8
693.17712	0.9
706.07959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03160	0.3
53.03933	0.2
55.01878	0.7
57.03428	0.2
61.02903	0.2
62.93320	0.1
64.02852	0.1
65.03939	2.1
67.05166	0.1
67.05511	1.9
68.99792	0.1
69.03416	0.6
69.56242	0.5
70.46888	0.1
71.01350	0.2
77.03926	0.4
80.02644	0.2
81.03422	0.3
85.02896	0.4
91.05443	0.1
93.03432	0.2
95.04971	1.9
97.02904	0.2
98.23400	0.2
103.03985	0.2
103.05473	0.3
105.02679	0.2
105.03388	3.1
105.04455	0.7
108.02096	2.8
109.02885	0.6
111.04457	0.7
119.04924	0.1
121.02911	0.2
121.03996	0.4
123.04418	0.5
127.03944	0.5
127.90800	0.1
129.03368	0.4
131.04910	0.4
133.02934	0.1
136.01527	0.5
141.05458	2.4
147.04399	0.5
149.02280	0.1
151.03905	100.0
151.04991	10.3
152.04234	1.7
152.05347	0.2
155.15323	0.1
161.07130	0.1
163.03960	0.2
167.18600	0.1
169.04942	0.3
171.04524	0.2
173.02361	0.2
175.03845	0.2
177.01865	0.2
177.05482	0.2
179.03357	0.2
181.04913	0.2
187.03929	0.2
189.01825	0.6
189.05573	0.2
191.03374	1.7
195.02840	0.3
201.01833	0.2
203.03378	0.4
205.04965	0.2
207.02884	0.6
209.04459	0.4
211.07567	0.1
215.03290	0.2
217.04958	0.3
219.02910	0.7
221.04578	0.2
223.07544	0.2
229.05011	0.3
233.04501	0.2
251.07059	0.5
252.07841	0.4
253.08734	0.1
263.07028	0.7
264.07834	0.3
265.08600	1.5
267.06396	0.5
268.07184	0.3
271.06091	0.1
275.07025	0.3
276.07715	0.2
277.08527	0.3
278.05734	2.8
279.06485	4.6
280.07184	0.6
281.07996	0.6
287.06738	0.2
289.08636	0.2
291.06494	9.0
292.07208	3.3
293.08041	7.4
294.08536	0.4
295.08054	0.3
297.07532	1.1
303.06570	1.6
303.09894	0.2
304.07236	0.4
305.08084	2.4
306.08710	0.5
307.06049	0.4
307.09692	0.4
309.07547	5.7
310.07822	0.3
313.09149	4.9
317.08109	1.1
319.05948	0.4
319.09637	0.5
320.06787	0.3
321.07550	19.3
322.07977	0.9
323.09149	0.3
329.08011	0.2
331.05936	0.2
331.09604	1.7
333.07510	1.9
334.07999	0.3
335.05267	0.2
335.09079	1.5
339.08649	2.9
345.07562	1.9
345.11270	0.2
346.08243	0.1
347.09171	0.4
349.10727	0.3
351.08694	1.0
357.07513	0.6
359.09131	0.9
361.06949	0.2
363.08606	3.6
369.07312	0.3
375.08597	2.6
377.10141	0.2
386.16000	0.1
387.08591	2.2
393.09686	1.2
399.10391	0.2
401.10245	0.2
405.04367	0.2
405.09634	3.5
411.10629	0.7
413.12228	0.8
417.11172	0.3
423.10718	3.8
424.10742	0.1
429.09604	0.3
441.11789	15.5
442.12045	0.9
445.12863	0.3
447.10599	0.4
453.10062	0.2
459.12863	1.9
465.11942	1.2
471.10712	0.3
477.11963	0.4
483.12653	0.8
489.11859	1.9
490.12070	0.2
495.12875	0.3
507.13000	0.9
525.13995	0.7
543.14441	0.9
547.15710	0.2
561.16089	0.8
573.13666	0.4
591.14917	3.1
592.15216	0.2
609.15961	4.7
610.16235	0.3
693.17883	0.2
711.18689	0.5
729.20258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
53.79842	0.1
55.01860	0.4
57.03431	0.2
61.02926	0.2
65.03934	1.3
66.25901	0.1
67.05499	1.5
69.03424	1.8
69.27162	0.7
77.03930	0.2
81.03411	0.2
85.02906	0.5
93.03412	0.3
94.38146	0.1
95.04963	1.5
97.02862	0.2
98.22668	0.3
99.30730	0.2
103.05465	0.2
105.03396	1.7
105.04522	0.4
107.04955	0.1
108.02079	2.2
109.02847	0.4
111.04454	0.8
121.03973	0.3
123.04423	0.3
127.03928	0.6
129.03363	0.4
135.04382	0.2
136.01547	0.6
141.05461	2.5
142.02538	0.1
147.04388	0.2
151.03903	100.0
151.04979	8.3
152.04240	1.9
152.05345	0.1
161.05969	0.2
169.04961	0.3
171.04384	0.2
173.02327	0.2
179.03307	0.2
189.01826	0.8
191.03391	0.6
201.01689	0.2
205.04980	0.2
207.02911	0.5
215.03410	0.3
222.25563	0.2
229.05092	0.3
233.04433	0.2
251.07016	0.4
263.07108	0.3
264.07837	0.3
265.08609	0.5
267.03873	0.2
267.06458	0.8
268.07312	0.3
275.06906	0.2
278.05688	2.4
279.06473	3.3
280.07278	0.7
281.08121	0.6
285.04031	0.2
289.08521	0.3
291.06494	7.7
292.07220	1.6
293.08041	1.7
295.08148	0.4
297.07513	1.5
301.08676	0.2
303.06516	1.3
304.07233	0.2
305.08035	1.3
306.05652	0.2
306.08878	0.6
307.06219	0.3
307.09683	0.4
309.07544	6.7
310.07962	0.2
313.09149	6.7
314.09436	0.2
317.08136	1.4
318.08517	0.2
319.06134	0.3
319.09659	0.5
320.07053	0.2
321.07547	9.5
322.07809	0.3
323.09262	0.2
329.08044	0.2
331.09598	1.3
333.07584	1.7
335.09076	2.0
339.08649	0.6
341.08255	0.4
345.07520	1.7
347.09091	0.3
349.10800	0.4
351.08694	0.2
357.07550	0.5
358.08051	0.2
359.09036	1.1
363.08606	4.8
364.08954	0.2
366.52438	0.2
369.07758	0.9
375.08652	3.0
387.08640	2.7
388.09161	0.3
393.09625	0.5
401.10065	0.2
405.09726	1.7
411.10480	0.5
423.10638	1.0
429.09677	0.3
441.11606	0.7
447.10498	0.2
459.10641	1.8
465.11859	0.6
471.10736	2.1
489.11819	3.7
490.11951	0.2
495.12848	0.1
507.12842	0.3
513.11755	3.6
525.13062	0.3
537.12262	0.2
543.12921	1.8
555.12952	1.9
573.13910	2.3
579.14990	1.6
591.14893	4.3
592.15375	0.3
609.16003	1.9
633.15961	1.7
663.17102	0.5
675.17426	0.2
693.18494	1.1
711.19440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
65.03926	2.2
67.05487	2.5
69.03405	2.4
74.11787	1.5
75.40037	1.6
79.05487	4.2
80.05019	1.9
87.04436	2.5
88.51390	1.6
91.05457	5.4
92.05035	1.8
93.07043	5.2
94.06538	11.4
95.04954	3.6
103.05457	4.4
105.75712	1.6
106.06555	2.3
108.04463	3.3
108.08105	11.4
110.06075	1.6
111.08197	1.7
116.04987	6.5
118.06528	3.6
118.40575	1.5
120.04465	7.6
120.08096	27.8
120.08900	3.0
121.02814	1.6
122.06008	17.6
124.03957	3.6
124.07565	4.6
124.76772	1.5
124.83917	1.6
130.04996	3.0
133.08577	1.8
134.05974	3.8
136.07558	17.1
138.05380	2.5
144.04430	14.0
146.06047	10.8
148.06447	3.1
148.07559	41.9
154.04944	2.7
160.03958	4.4
160.07610	1.9
162.05524	5.0
164.07071	4.5
166.08618	2.3
172.03897	46.5
174.05490	4.2
176.07095	2.2
179.10707	2.3
186.05502	3.3
186.09169	2.3
187.14784	4.8
190.04980	28.4
196.09964	2.3
197.10710	5.4
199.08499	1.9
199.12299	5.5
204.06534	56.8
205.06770	1.8
209.10796	2.7
210.09320	3.5
211.08688	6.6
211.12184	2.5
212.09290	2.4
213.10063	2.3
213.13911	2.2
217.08163	2.6
221.10606	2.3
222.07892	2.2
223.08794	2.6
223.12204	4.9
224.09325	3.0
225.10197	17.4
226.11011	3.5
227.11740	31.8
233.10629	1.9
235.08707	2.8
236.09401	6.4
237.10197	6.5
238.10974	4.5
239.11774	5.5
241.13269	2.8
246.93492	1.8
249.10181	3.9
250.10970	4.2
251.11862	10.5
252.08737	6.1
253.09659	15.9
253.13344	2.5
255.11296	5.2
263.08115	4.0
264.08902	8.7
267.06400	1.7
267.11249	4.7
269.12811	25.0
271.10739	21.1
277.09708	4.3
278.10397	4.9
279.11227	22.2
281.09091	2.1
281.12891	2.5
283.10782	7.2
284.11493	4.9
285.12259	8.7
286.12982	2.2
287.13870	29.1
291.11050	1.9
295.10764	3.4
297.12283	12.5
300.11246	2.4
302.12659	2.2
307.10748	14.3
309.12277	2.1
311.14172	2.6
313.12161	3.7
314.12927	4.9
315.13480	3.9
316.10995	2.1
316.14493	4.6
321.12253	3.6
323.10321	15.1
323.83041	1.9
325.12036	7.4
326.12756	2.2
326.16348	2.8
327.13626	2.5
327.17194	2.6
328.10828	6.8
328.14413	4.0
329.15192	1.8
330.12381	2.4
330.16010	4.2
331.16818	3.5
339.13367	18.6
340.14365	2.5
341.11563	4.4
342.12338	15.0
342.15997	2.6
343.13120	9.0
344.13745	3.9
354.12259	2.5
354.16287	1.8
355.13165	4.2
356.13974	7.5
357.14633	3.5
358.15262	7.7
359.12320	8.6
365.11267	18.3
367.12891	3.0
370.11502	2.2
370.15598	7.9
371.16309	2.6
372.17264	1.7
378.17947	2.1
382.11887	5.5
383.12524	5.2
384.13229	5.2
385.13840	10.6
386.14691	3.1
386.18988	2.6
390.17981	5.4
394.15051	1.8
397.14093	4.6
398.14890	33.7
399.15738	34.7
400.16315	3.8
401.13541	1.8
402.18420	2.4
404.15747	7.7
411.11798	31.7
412.16455	3.8
414.17972	4.0
415.14655	1.8
416.15979	28.3
417.16220	3.4
422.16562	3.5
428.16046	4.4
429.12820	4.4
430.17429	4.3
440.15985	11.1
443.14120	9.3
446.16876	12.4
458.17041	35.9
459.17563	2.7
481.27271	3.6
490.19580	4.8
523.23114	2.5
565.24261	8.8
567.27374	1.8
575.22797	2.7
593.23828	18.0
594.23676	2.4
609.26587	2.3
611.24957	27.4
612.25293	3.3
625.25861	3.7
635.24701	6.2
653.25897	25.0
654.26007	2.1
655.24005	7.7
669.25470	2.2
679.23907	11.2
685.34052	17.8
697.24939	100.0
698.24829	9.2
729.33984	49.3
730.32391	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	729.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.1
57.03438	1.8
59.04985	1.2
61.02923	4.4
67.05506	3.9
69.03444	2.6
71.05003	1.4
73.02912	3.0
79.05506	2.9
80.10083	1.1
81.07071	3.0
83.05032	1.5
83.08620	2.2
85.02904	6.3
87.04469	2.2
89.06042	3.0
91.03970	2.2
91.05497	4.1
93.07033	2.4
95.04995	3.1
95.08617	2.0
97.02901	3.9
98.15747	1.1
99.04446	1.6
101.02380	2.1
102.91200	1.0
105.07033	3.0
107.08623	2.0
109.02923	1.3
119.08588	1.5
121.10150	1.9
127.03925	1.9
129.07022	2.0
131.08594	2.2
133.08614	1.2
133.10190	1.8
147.04436	1.1
148.65834	1.0
149.09644	1.3
152.47020	1.0
157.10130	1.6
187.15013	1.0
193.12335	4.4
211.13380	2.3
243.08549	2.0
251.12628	4.2
283.15311	2.6
339.18051	1.2
358.36588	1.1
469.20349	11.2
501.23187	11.5
567.29822	0.9
729.36652	100.0
730.37134	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	729.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
57.03428	2.4
60.14698	0.5
61.02926	4.3
67.05500	2.5
69.03423	2.8
69.07064	1.2
71.04990	1.4
73.02914	4.7
73.06558	0.5
73.96951	0.5
79.05503	2.4
80.05495	0.8
83.04984	1.4
83.08627	1.5
84.04507	1.0
85.02894	5.0
87.04457	19.6
89.06026	7.7
91.03960	2.4
91.05467	3.9
92.09557	0.5
93.07038	2.2
95.04959	2.3
95.08614	1.6
97.02882	4.3
97.06538	1.3
99.04456	1.0
101.02375	2.0
104.59461	0.6
105.07021	6.1
107.04993	0.9
107.08578	1.5
109.02890	0.5
109.06509	0.6
109.10134	0.5
117.09155	0.5
119.04922	0.8
119.08570	2.7
121.10156	2.2
127.03947	1.2
129.07065	1.4
130.05017	0.8
131.07072	1.2
131.08611	1.1
133.08598	3.6
133.10170	1.4
147.04405	0.6
147.11702	1.9
149.09651	2.3
157.10110	1.2
175.11192	1.4
177.11252	1.9
178.28087	0.5
193.12180	3.0
205.74738	0.5
211.13396	1.0
217.08243	0.8
243.08405	3.2
251.12556	1.4
267.16074	0.9
283.15097	3.9
339.18161	0.9
415.80496	0.5
463.33560	0.7
469.20422	8.8
490.15140	0.5
501.23026	9.5
707.51721	0.6
729.36597	100.0
730.36621	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	729.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05513	1.2
57.03435	2.1
59.05011	0.8
61.02929	4.2
61.43519	0.7
62.32836	0.6
67.05515	1.9
69.03436	2.4
69.28662	3.7
71.04996	1.0
73.02905	3.9
79.05502	2.3
81.07073	2.3
83.08629	1.7
84.04514	2.1
85.02921	4.6
87.04479	2.3
89.06039	1.7
91.03976	1.8
91.05481	3.5
93.07053	2.3
95.04995	2.9
95.08623	1.0
97.02887	3.2
97.06565	0.7
101.02419	1.3
105.07060	3.9
107.04933	1.0
109.02876	0.9
119.08611	1.9
121.06558	0.7
121.10155	1.6
127.03944	0.9
129.06970	1.1
130.05052	1.5
131.08640	1.9
133.10159	1.5
147.04468	0.9
147.11719	1.3
149.09685	0.8
153.06668	0.9
157.10194	1.3
175.11266	1.1
193.12259	4.2
201.63995	0.7
211.13266	0.9
217.08247	1.7
224.18449	0.7
243.08459	3.3
251.12582	1.3
267.15857	1.5
283.12292	0.7
283.15302	3.0
339.17676	1.0
451.19177	3.3
469.20422	9.4
501.23056	11.0
502.24246	0.8
690.89917	0.7
711.35785	1.6
727.89667	0.8
729.36676	100.0
730.37433	8.6
730.61322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03422	0.8
61.02907	0.5
68.99784	0.7
69.03439	2.6
70.06577	0.5
71.04984	1.2
73.02905	0.5
77.56043	0.5
79.05470	0.4
81.03410	2.0
85.02901	4.1
95.04970	4.7
97.02904	1.1
98.23502	0.8
103.05487	0.8
109.02864	0.8
123.04427	4.4
127.03931	0.8
131.04916	3.3
138.01886	1.4
140.03413	1.3
150.05527	0.4
151.03902	20.6
152.07129	0.5
162.05522	1.7
166.01389	2.8
167.02141	1.5
168.02922	15.7
174.05542	0.4
178.01408	1.5
180.06610	0.6
186.05389	0.6
188.03583	0.4
202.05026	0.8
214.04865	0.6
225.05377	0.7
226.05080	0.5
230.04520	5.3
242.04515	2.1
244.02409	9.4
244.06065	1.1
245.03186	1.4
248.05537	0.6
249.93262	0.4
254.04483	1.4
256.02328	0.5
258.04221	0.5
260.01932	0.8
270.04083	0.4
270.07605	1.6
271.08627	0.8
272.02191	0.6
272.05594	1.5
272.09164	3.3
273.02689	3.1
282.03995	1.6
282.07281	0.6
290.06577	0.9
300.05051	5.0
318.06082	12.6
334.10684	5.6
336.07236	0.6
346.10873	1.2
348.08636	14.6
348.12228	0.8
349.08960	0.8
362.10010	0.4
376.11810	5.0
377.08844	2.5
386.10312	1.0
394.12695	2.4
404.11273	4.2
422.12329	100.0
423.12561	4.7
555.09192	0.8
584.17590	49.0
585.17914	3.6
691.14368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.6
55.01817	0.3
57.03386	0.8
61.02889	0.7
65.03925	0.5
67.05465	0.3
68.99746	0.5
69.03427	2.4
69.68513	1.3
71.04979	1.5
73.02878	0.4
81.03420	2.0
85.02898	4.3
87.04391	0.5
91.05463	1.8
95.04951	4.5
97.02877	1.4
98.23412	0.4
98.79531	0.3
99.04398	0.4
103.05394	1.0
105.03310	0.9
105.06964	1.0
109.02794	1.1
119.04953	1.5
120.05216	0.6
121.02808	0.6
123.03647	0.4
123.04404	4.1
127.03838	0.7
131.04140	0.3
131.04903	2.9
132.04387	0.3
134.05940	0.7
138.01770	1.3
140.03395	1.6
147.03337	0.3
147.04393	4.9
148.04684	1.1
150.05423	0.6
151.03886	20.2
152.04222	0.5
158.05939	0.5
162.05505	1.5
166.01349	2.4
167.02043	0.6
168.02902	14.4
178.01334	1.5
180.06503	1.1
180.27249	0.3
185.03078	0.4
186.05449	0.6
188.03265	0.4
202.04887	0.7
202.17526	0.3
204.06485	0.4
214.04915	0.5
216.02815	0.4
217.03511	0.4
218.04517	0.6
225.05402	0.8
226.04898	0.3
230.02299	0.4
230.04445	6.3
241.05035	0.6
242.04478	1.9
242.07968	0.5
244.02382	11.2
244.06064	0.9
245.03128	1.9
246.04054	0.5
254.04550	1.5
256.02237	0.3
258.03909	0.5
260.01785	0.5
270.04150	0.3
270.07477	1.5
271.08328	0.8
272.02631	0.4
272.05859	2.4
272.09052	3.2
273.02661	3.6
282.03931	1.9
282.07211	0.4
288.99640	0.3
290.06451	0.7
300.05002	5.3
318.06064	15.5
319.06503	0.5
334.10687	5.5
336.07162	0.5
346.10757	1.4
348.08606	17.3
349.08923	1.0
350.10324	0.3
353.42560	0.3
374.10202	0.4
376.07202	0.3
376.11777	6.2
377.08777	3.2
380.11429	0.4
386.10129	1.0
394.12833	2.6
404.11285	4.6
405.11703	0.4
409.51108	0.4
422.12292	100.0
423.12570	5.9
430.12988	0.3
479.37451	0.4
554.09991	0.5
555.09167	3.2
584.17560	54.5
585.17871	3.9
655.52026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89000	1.5
59.25269	1.6
61.57103	1.6
65.03951	2.5
67.05497	4.7
69.03425	4.5
69.07058	2.0
69.55988	6.7
70.06584	6.8
72.08153	3.1
79.05478	4.5
80.05013	7.5
81.07066	5.4
82.06591	4.0
84.04485	3.0
85.02905	5.7
91.05495	7.7
93.07044	5.0
94.06544	5.3
95.05002	2.2
95.08614	6.0
96.04480	3.4
98.00662	1.8
100.07603	16.3
103.05472	2.2
105.07026	9.2
106.06595	4.2
107.08574	4.0
108.08102	3.2
110.06048	6.4
110.09650	2.8
112.07539	1.7
115.51711	1.9
117.07027	7.5
118.06551	3.9
119.08569	8.4
120.08110	8.4
121.10150	3.3
122.50098	2.0
124.03944	88.0
125.04227	2.0
128.07076	5.5
129.07008	3.8
129.36151	1.7
130.04950	4.3
130.07736	1.8
131.04912	2.0
131.08569	8.2
132.08081	2.1
133.10143	5.3
134.06021	4.1
134.09645	2.3
136.07599	3.4
136.11205	2.8
141.06964	2.8
142.03217	4.9
142.07829	2.2
143.08539	7.2
145.10109	28.0
148.07568	8.5
150.09175	4.3
151.03893	5.9
154.05002	4.5
155.08519	4.8
156.06534	13.9
157.10143	6.8
158.10852	3.0
159.11716	9.6
160.07495	2.3
164.07085	3.5
167.08586	3.2
169.10112	9.2
170.10933	3.8
171.11729	4.3
172.12508	2.1
173.13245	2.5
176.07065	3.3
178.08661	4.3
178.15839	3.8
180.06543	6.5
181.10139	2.1
182.10948	4.9
183.11702	5.8
185.13245	8.9
187.14796	100.0
188.03737	4.6
188.15195	2.3
189.07422	2.0
192.06555	19.8
194.08142	6.4
195.11655	2.2
196.12511	2.3
197.13272	10.5
199.14879	3.5
206.08057	3.0
211.14796	23.1
219.11711	2.2
221.13487	1.9
222.07561	7.1
234.04277	4.7
235.10765	1.9
245.13570	6.2
261.16476	2.9
267.09930	4.2
271.05768	2.3
277.18051	2.4
279.09488	2.1
309.10797	5.7
310.24698	9.3
313.08661	4.3
390.20395	8.7
404.11798	1.8
408.21802	2.5
422.12247	15.0
447.23969	2.0
511.22583	71.8
512.22510	4.3
529.23535	6.4
555.08948	4.1
584.17468	5.3
634.25500	6.0
650.61517	1.9
652.27045	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	730.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03940	0.3
57.94304	0.1
59.36954	0.1
59.70792	0.1
60.05643	0.1
61.02898	0.2
64.09800	0.1
67.05502	0.3
69.03411	0.1
69.07053	0.2
70.07574	0.2
73.02895	0.4
73.06555	0.3
74.07786	0.1
77.03909	0.6
77.42175	0.1
79.05479	4.7
81.07063	0.2
87.04456	100.0
88.04791	0.9
89.06012	2.0
91.05463	1.0
93.07029	0.6
95.04961	2.4
95.05530	0.2
95.08588	0.2
97.02855	0.2
103.05456	4.2
105.04608	1.2
105.07014	76.4
106.07353	1.9
107.04948	0.1
113.00044	0.7
114.03770	0.3
117.06973	0.2
117.09103	0.2
119.04918	0.3
119.08559	0.4
121.06489	2.6
124.99993	0.3
127.01537	0.1
127.03841	0.1
129.07001	0.4
131.07019	1.6
131.08528	1.4
133.08601	1.1
133.09645	0.1
133.10075	0.2
139.01511	1.9
145.06480	0.1
147.08084	0.8
149.09590	0.3
155.08528	0.1
163.07648	0.1
165.06940	0.2
165.09033	0.6
173.09537	0.2
175.09653	0.5
177.11174	0.3
179.08624	0.1
180.07657	0.2
181.10085	0.2
181.50117	0.1
183.04137	0.4
183.60426	0.1
202.09003	0.3
209.11464	0.1
209.13327	0.7
219.12263	2.5
223.11069	0.3
225.12729	2.1
226.12930	0.2
246.11543	0.2
251.14265	2.9
252.14723	0.2
253.15771	0.4
263.14740	0.3
267.13687	0.3
269.15295	1.5
271.09525	0.1
271.15320	0.3
295.16718	0.2
311.16367	0.1
313.17935	0.7
327.17343	0.5
327.32489	0.1
329.18903	1.7
330.19135	0.2
357.20602	0.1
359.20450	0.1
373.21368	1.0
401.21649	1.3
417.23703	0.1
436.14822	0.1
463.26489	0.2
477.27521	0.4
477.34296	0.1
505.27777	1.3
609.33649	0.2
650.44507	0.4
730.43127	1.2
731.43268	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	730.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03937	0.4
56.39703	0.1
57.29828	0.2
59.04997	0.1
65.34941	0.2
67.05503	0.3
69.07047	0.2
73.02917	0.5
73.06554	0.2
77.03912	0.7
79.05484	6.3
79.05948	0.3
81.07051	0.4
87.04459	100.0
88.04805	1.0
89.06029	2.3
91.05475	1.6
93.07029	0.7
95.04958	3.1
97.02859	0.2
98.22695	0.3
98.98440	0.3
103.05462	5.2
105.04617	1.2
105.07018	95.2
106.07357	2.3
107.04983	0.2
107.07718	0.1
109.10125	0.2
112.99989	0.9
114.03819	0.3
117.07029	0.2
117.09145	0.2
119.04976	0.3
119.08580	0.5
121.06490	3.3
124.99992	0.6
127.01582	0.2
128.06139	0.2
129.07007	0.5
131.07062	1.2
131.08545	2.0
133.08586	1.0
133.10127	0.2
135.08046	0.1
139.01529	2.5
145.06563	0.2
147.08026	0.9
149.09586	0.4
155.08473	0.2
158.06342	0.4
165.06999	0.2
165.09088	0.5
173.09634	0.3
175.09570	0.2
177.03194	0.1
177.11163	0.3
179.08644	0.2
180.07716	0.2
183.04242	0.2
195.00633	0.2
202.09039	0.2
209.13220	0.5
219.12277	1.6
223.11160	0.2
225.12688	2.0
226.13011	0.2
227.06657	0.1
251.14310	3.3
253.15866	0.5
263.14758	0.2
269.15335	1.0
278.42276	0.1
313.17865	0.5
327.17163	0.3
329.18945	1.4
373.21555	0.9
401.21594	1.1
415.22394	0.2
477.27554	0.2
505.27835	1.1
650.44794	0.5
730.42511	1.0
731.32849	0.2
731.43384	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03949	0.6
55.05494	0.4
55.45013	0.3
56.76081	0.4
57.03426	0.4
59.04996	54.6
61.24191	0.4
66.20840	0.4
67.05505	0.9
71.04980	0.8
71.34060	0.3
73.02914	0.9
73.06552	1.7
77.03921	1.0
79.05489	6.4
80.38984	0.4
81.07056	0.8
86.09719	0.8
87.04459	2.9
89.06022	7.0
91.05473	9.3
92.96288	0.4
93.07034	2.8
95.04944	3.5
95.08597	0.5
102.48590	0.4
103.05470	6.2
103.07571	47.5
104.53217	0.4
105.04517	1.5
105.07020	100.0
106.07372	2.3
107.04922	1.9
109.10148	0.6
117.06996	1.6
117.09127	1.6
119.04953	1.1
119.08575	3.5
121.05602	0.8
121.06491	15.0
121.10119	0.6
122.06849	0.4
124.99995	0.5
127.01550	0.6
128.06210	0.8
129.06993	3.1
131.07030	0.8
131.08554	5.7
132.05690	0.7
133.06503	0.4
133.08594	5.1
133.10129	1.1
135.07980	0.4
139.01492	0.6
145.06476	0.8
147.08044	32.2
147.10117	20.8
148.08368	0.9
149.09608	6.6
152.94647	0.4
153.03090	1.2
155.70682	0.4
161.11731	0.6
161.28520	0.4
163.11087	0.6
165.09090	1.4
173.09590	0.7
175.11118	0.6
177.11163	1.4
179.08481	0.5
181.10091	1.4
184.07391	2.0
191.10626	0.9
191.12685	1.2
192.19754	0.3
192.21658	0.4
193.12219	0.8
197.05701	0.4
203.03699	0.4
205.07175	0.4
207.11653	0.4
208.08911	0.6
209.11562	0.5
209.13309	0.5
211.13115	0.6
219.26752	0.4
223.11208	1.8
225.12726	16.6
226.12993	0.6
235.15297	0.7
237.12637	0.4
240.75084	0.4
244.23427	0.4
249.12665	2.5
251.14345	2.3
253.14165	0.6
267.13666	0.7
269.15320	3.7
271.15408	0.4
273.16953	1.1
295.17072	0.5
313.17883	1.3
323.63937	0.4
327.17261	0.6
329.19098	0.4
335.25574	1.3
341.19247	0.4
373.21567	5.0
445.25229	0.4
533.38007	0.9
571.57867	0.4
609.36084	0.7
619.25018	0.4
730.44977	6.0
731.44348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03944	0.4
65.03949	1.5
67.05502	0.4
68.88932	0.3
68.99789	2.2
69.03436	0.4
69.76948	0.3
70.70519	0.6
72.08197	0.3
77.03893	0.7
81.03389	0.4
85.02903	1.2
91.05482	0.7
95.04955	3.5
97.02919	0.4
103.05487	1.0
105.03386	18.8
105.04526	1.1
111.04397	0.7
118.35582	0.3
119.04924	1.7
121.02863	21.5
121.03954	1.4
122.03237	0.4
123.00780	0.6
127.03931	0.6
129.03380	0.5
131.04939	0.6
139.00249	2.2
140.01036	0.3
147.04459	0.4
151.03885	1.1
152.04240	0.4
163.03976	0.3
168.00548	2.0
168.02925	1.3
169.01361	0.7
177.01816	0.6
178.53819	0.3
186.01619	1.8
193.01315	0.3
205.01352	1.2
223.02386	0.8
230.04475	0.3
233.00760	1.8
241.04913	5.1
242.99269	0.8
245.00832	1.1
251.02008	0.7
257.04443	3.8
261.00311	2.3
267.06693	0.4
268.43372	0.3
269.04480	1.3
270.05234	5.7
271.05963	7.1
272.09271	0.9
279.06506	0.3
283.06131	0.5
285.03958	1.7
286.04657	4.2
287.02246	0.5
287.05432	5.8
288.99786	5.2
289.04642	0.5
291.01572	0.4
295.05966	0.7
298.98166	0.3
299.08878	0.3
307.05978	2.3
316.99222	2.6
318.05865	0.4
319.06149	0.4
323.05466	2.1
334.10947	0.4
335.05569	1.0
345.03949	1.1
347.05334	0.5
348.08905	0.5
351.04752	0.6
361.03372	1.5
363.04794	1.9
379.04593	2.0
389.02557	0.5
391.04391	3.0
392.05170	0.9
393.06085	1.9
407.03775	2.5
408.04730	1.0
409.05548	2.7
417.06189	0.8
419.03928	4.2
422.12286	1.6
423.12512	1.5
435.02933	5.3
437.04892	0.7
481.09207	0.4
509.08673	0.5
554.10272	0.4
555.09180	100.0
556.09430	6.9
584.17560	0.7
585.17834	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	731.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23518	0.7
67.05457	1.0
73.02914	1.2
81.03442	0.8
85.02942	1.2
87.04459	7.3
89.06040	3.3
91.05474	1.7
97.02902	2.2
97.81896	0.9
105.07030	1.9
119.04972	1.4
131.04913	1.0
133.08623	2.6
147.04419	1.5
165.47935	0.8
175.03944	2.2
177.11250	1.1
185.21877	0.7
207.06548	1.7
218.98018	0.7
273.98663	0.8
295.82953	0.8
303.08667	0.8
345.09708	1.2
346.11990	0.7
349.12515	2.3
361.08749	1.4
455.16150	0.8
471.21823	1.0
523.14063	1.7
525.15875	1.3
565.15234	3.9
609.14166	4.5
627.20691	1.6
645.21558	6.4
687.22479	85.8
688.23218	5.2
731.21429	100.0
731.33673	8.3
732.21667	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	731.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
52.05943	0.3
53.03933	1.3
55.01857	0.5
57.03432	1.4
59.23542	0.3
61.02887	0.4
68.99789	2.8
69.03402	0.7
69.45632	1.5
71.04632	0.5
71.04987	6.8
75.04465	0.5
75.17089	0.3
77.03942	0.7
81.03420	0.4
83.04997	0.4
85.02898	8.4
95.04967	4.5
97.02872	0.5
98.22789	0.6
105.03387	35.1
105.04399	2.1
106.03738	0.8
127.03902	0.5
129.05458	1.0
131.04956	0.3
147.04408	3.2
153.94022	0.3
155.04860	0.7
171.04439	0.5
173.06041	1.8
183.04396	1.1
189.05403	0.3
201.05437	5.0
211.03877	2.3
213.05490	1.1
229.04942	4.8
231.06512	0.8
239.03339	3.5
241.04915	1.4
255.06589	0.4
257.04437	15.9
258.04892	0.7
259.06012	4.4
267.02899	1.2
270.05191	1.2
271.05734	0.7
273.39017	0.3
275.05502	0.6
285.03912	19.4
286.04257	0.5
303.04956	0.5
313.08572	0.8
341.08017	0.6
359.09106	2.3
363.08710	1.3
369.07013	0.4
387.08627	1.3
387.23245	0.4
405.09659	10.7
406.10120	1.0
423.10706	100.0
424.11066	6.5
585.16156	3.6
586.16510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03930	0.8
57.03426	1.1
68.99781	3.5
69.03422	0.6
69.46039	0.6
69.46404	0.5
70.06568	0.3
71.01319	0.3
71.04988	6.1
73.02902	0.4
77.03933	0.8
81.03400	0.5
85.02901	8.9
95.04965	4.9
97.02880	0.6
98.22748	0.5
105.03388	35.5
105.04404	1.9
106.03712	0.5
129.05461	0.9
130.85620	0.3
131.04907	0.3
134.55400	0.3
145.06548	0.3
147.04413	3.2
151.03925	0.8
155.04906	0.6
161.05992	0.8
167.06886	0.3
171.04401	0.6
173.05994	1.7
183.04398	1.7
185.05994	0.6
187.03917	0.3
193.59677	0.2
201.05469	4.4
211.03828	2.4
213.05453	1.4
217.05002	0.5
229.04944	5.3
231.06538	0.8
239.03391	3.8
241.04967	1.3
257.04425	14.3
258.04947	0.6
259.05997	3.8
267.02844	1.6
270.05222	1.0
271.05978	0.5
275.05670	0.4
285.03918	16.7
286.04239	0.6
287.05487	1.0
299.25510	0.3
313.08640	0.6
341.07953	0.6
359.09128	1.8
363.08530	1.2
387.08691	1.4
405.09671	11.0
406.10196	0.4
423.10709	100.0
424.10999	5.8
446.16956	0.3
465.11826	0.3
585.15906	4.3
687.53656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.9
69.86123	2.8
69.86458	1.7
79.05499	5.4
91.05488	3.6
93.05744	1.5
93.07052	4.7
94.06568	6.2
95.04975	2.5
103.05496	5.2
106.06576	4.8
107.07327	2.1
108.08122	11.6
116.05017	2.0
118.06528	3.7
119.07307	2.7
120.04485	4.5
120.08099	31.7
120.08891	2.9
122.06033	27.2
122.09652	1.9
124.07542	1.7
132.08092	2.4
134.05989	3.1
134.09731	1.8
136.07553	26.7
136.08458	2.2
138.05481	2.5
144.04463	5.8
146.05995	11.5
148.07561	83.2
150.09151	9.2
152.07072	20.7
160.07585	3.1
162.05519	3.8
164.07043	9.0
166.08633	22.6
172.03920	22.9
172.11221	1.8
174.05556	1.8
174.09174	1.9
181.98843	1.7
190.04973	19.0
195.09148	1.8
197.10730	4.4
198.11472	5.8
204.06564	28.9
208.09891	2.3
209.10580	2.1
210.09410	2.0
210.11514	8.1
211.12271	13.4
212.09418	1.6
212.13042	3.3
216.08937	1.6
218.08147	3.8
221.10779	3.9
223.12308	8.5
224.09392	5.0
225.10155	9.4
225.13824	3.0
226.10933	11.0
227.11685	7.2
235.08667	4.2
235.12302	3.4
236.09462	4.2
236.13104	2.1
237.10239	15.8
237.13834	2.2
238.10956	15.7
239.11749	14.1
240.12408	2.2
241.09679	2.0
241.13353	1.9
246.07628	2.4
247.12440	1.8
248.09503	2.1
249.10284	13.4
250.10912	11.2
251.08185	1.6
251.09308	2.4
251.11815	26.2
252.08693	11.9
252.12572	6.2
253.09694	3.4
253.13327	6.8
255.11311	10.0
256.12088	6.3
262.11063	7.0
263.07956	1.5
263.08981	2.9
263.11758	31.8
264.08878	5.3
264.12656	6.2
265.09766	11.2
265.13284	13.3
266.10471	9.8
267.11279	23.9
268.11856	3.2
269.12881	7.0
269.96326	1.8
271.10849	3.4
271.14471	11.7
275.11874	2.1
277.09750	6.7
277.13281	2.3
278.10498	9.6
279.11282	42.7
280.11951	7.7
281.12820	18.9
283.10745	5.9
283.14160	1.7
284.11554	14.0
285.12317	46.0
286.12814	2.5
287.13959	4.4
289.15524	5.0
291.11240	23.8
292.11746	8.3
293.09494	3.5
293.12787	22.8
295.10815	4.2
295.14343	1.8
296.11475	6.7
297.12329	57.5
298.12820	4.4
299.13962	3.2
307.10803	7.9
309.12302	26.4
310.12943	5.5
311.10306	6.3
311.13870	5.0
313.12009	1.9
315.13608	2.0
316.14609	2.0
319.10782	19.5
320.11154	2.3
321.12332	18.4
323.10294	13.3
323.13885	2.6
324.10876	2.7
325.11850	21.1
327.13342	5.4
328.14563	2.3
329.15286	1.9
330.15900	3.2
337.11789	77.8
338.12363	4.5
339.13422	10.6
341.14951	2.4
342.16049	1.7
344.17401	3.5
351.13559	3.3
355.12811	3.6
356.13617	3.3
357.14508	6.7
358.19275	2.0
359.12259	3.9
367.12881	2.0
369.14685	4.4
372.17072	3.5
385.13974	11.0
386.18625	4.4
388.16589	3.2
404.19937	2.8
407.44958	1.6
411.11749	12.4
412.16800	2.9
413.13123	2.4
414.18008	3.3
420.18094	1.6
427.11118	2.2
428.19846	3.2
429.12689	2.1
430.17581	15.6
431.18423	2.1
432.19327	6.0
442.17712	3.4
443.14188	3.3
444.19159	4.6
445.15930	4.5
446.20883	2.3
448.18649	30.6
449.19162	4.0
460.18683	22.6
464.22180	2.2
472.18964	8.9
474.19971	7.2
476.18704	1.5
478.19608	2.7
480.21112	2.8
490.19608	5.5
491.20139	8.2
492.21063	8.5
504.21036	3.6
505.21957	2.4
516.21277	2.5
518.19360	9.5
519.19940	3.3
520.20923	4.9
522.18182	2.3
532.20862	12.1
533.21600	4.1
534.21930	2.3
535.19318	32.6
536.20306	29.7
548.20221	6.6
562.18292	8.4
563.18829	11.4
564.19318	10.3
567.25903	3.8
576.19733	100.0
577.20288	17.6
578.21356	20.7
595.25476	10.9
608.22375	22.9
609.22925	11.9
610.23578	2.4
613.26556	22.5
614.26398	1.9
637.26105	4.5
655.27136	6.7
657.25891	2.2
681.25519	14.8
699.26471	62.6
700.26715	6.1
731.33264	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	731.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78148	0.7
53.03942	1.2
55.05514	1.2
57.03434	2.1
57.07068	0.8
61.02922	4.8
67.05511	3.4
69.03419	3.6
69.07075	0.7
69.45729	1.3
69.46120	3.0
73.02930	3.1
78.04285	0.8
79.05479	6.7
81.03415	1.5
81.07053	4.2
85.02908	2.7
87.04465	68.0
88.04798	6.1
89.06039	2.9
89.14600	0.7
91.03973	2.8
91.05497	2.8
92.59099	0.7
93.07047	5.1
94.07464	0.7
95.04971	2.3
95.08633	2.1
97.02905	3.3
97.06511	0.8
98.22781	1.7
101.02349	1.4
103.05481	2.8
105.07021	59.6
106.07360	11.2
107.08603	2.8
113.00009	1.3
119.08572	0.9
121.06544	1.7
121.10165	1.2
127.03889	1.0
131.08603	1.6
133.08638	1.6
133.10156	1.3
139.01564	3.2
148.25934	0.7
149.13306	1.3
168.43268	0.8
169.33640	0.8
180.07799	0.8
183.04161	0.8
210.13585	0.9
219.12352	1.2
219.55708	0.9
225.12836	1.1
251.14317	1.8
252.14990	0.8
258.95926	0.7
276.03928	0.9
330.19415	1.1
335.26059	1.2
374.22189	1.2
402.21780	1.0
453.20947	3.0
506.28702	1.4
519.29163	7.1
601.76251	1.0
641.41254	0.8
731.43323	100.0
732.44092	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	732.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64939	1.3
56.64967	1.4
57.03428	3.1
58.75410	1.3
61.84912	1.3
68.99799	3.0
69.20126	8.4
71.01343	3.6
73.02892	3.4
79.05505	1.3
83.01307	2.0
85.02890	8.0
91.05479	5.1
95.01337	4.3
97.02877	12.3
103.05457	28.4
105.03393	2.5
111.00624	1.5
113.02341	2.3
115.05466	5.7
128.06242	1.8
129.06989	3.1
131.04916	100.0
132.05316	2.0
139.00313	2.2
141.01805	3.6
141.06963	3.5
142.06551	3.7
144.19109	1.7
145.06505	4.0
152.06297	1.7
155.04915	7.0
155.06027	3.2
167.02155	3.0
168.02951	3.5
169.06470	3.0
170.06030	4.2
171.08052	2.2
180.08063	2.6
181.06470	2.1
184.07439	3.0
185.03223	3.4
186.09235	2.5
188.56088	1.3
190.01396	4.1
191.02177	1.5
192.02884	3.3
194.04388	1.7
196.07619	1.8
198.09019	1.8
199.03879	8.5
202.01315	2.9
204.02977	2.1
208.07515	2.3
212.07042	16.3
213.05438	1.9
214.01338	1.6
216.02846	2.0
218.00839	29.3
220.07587	1.7
222.03949	3.2
224.07037	2.5
225.05446	3.0
228.10117	1.7
232.02385	1.5
236.01994	2.2
236.06989	3.4
237.05365	1.7
238.05048	4.6
239.06978	4.7
241.05022	7.2
246.03915	2.1
252.06688	1.9
254.08084	4.3
256.06137	2.8
259.06128	1.8
260.01865	4.6
264.06653	3.2
271.08536	2.6
272.09274	9.3
274.03513	2.3
278.02859	3.1
278.08087	2.6
280.05978	23.9
282.07645	3.9
288.01511	3.1
290.03033	1.7
292.06192	2.8
296.09131	5.4
299.00626	2.1
300.01498	2.6
302.02933	23.9
304.05991	1.8
306.07602	3.6
310.07175	2.0
312.01297	4.9
314.02792	2.3
314.10153	1.6
316.00821	2.6
320.04102	6.4
322.07071	32.8
322.79181	1.6
334.01904	2.1
364.08081	28.6
366.06177	1.7
369.11490	1.4
374.06531	3.8
384.12271	29.5
385.13333	2.0
386.06509	2.7
392.07587	20.5
402.05972	5.9
404.07849	2.4
406.09192	25.1
407.09216	1.7
416.07544	3.1
418.09036	4.7
420.06989	10.7
426.13330	2.3
434.08560	2.9
436.11356	4.0
450.12006	6.4
452.09875	2.7
454.12851	3.5
462.08252	2.5
478.12732	10.4
482.15967	1.9
490.12439	2.1
496.13849	15.8
506.12582	6.6
507.13013	4.4
508.13943	2.9
510.15457	43.7
511.15591	3.2
524.13550	6.8
525.14069	1.8
538.14984	2.5
539.15570	5.2
556.16235	10.4
566.14551	2.0
596.10211	18.4
610.11676	2.1
626.14978	18.0
654.15582	6.5
672.17059	4.6
682.14575	2.5
686.18713	18.2
687.17493	1.7
696.17224	2.4
700.16577	73.8
701.16553	4.8
714.18109	13.9
732.18744	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	732.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87872	1.1
54.19257	1.4
55.01869	1.5
57.03434	3.1
57.65771	1.1
57.79904	1.0
61.36169	1.1
65.03923	1.3
65.85367	1.2
68.99786	3.9
71.01347	4.8
71.43743	1.4
73.02906	2.2
73.20624	1.2
75.67399	1.2
75.68460	1.2
78.04701	1.2
79.05474	1.8
85.02907	10.5
88.66043	1.4
91.05478	8.3
92.47134	1.2
93.03380	3.1
93.07037	2.6
95.01311	10.8
95.04968	3.1
103.05462	27.0
103.34256	1.2
105.03388	1.9
105.04503	1.8
105.07027	1.6
106.04171	9.5
113.02386	2.3
115.05420	6.1
121.06494	10.4
125.06024	1.6
128.06215	1.4
131.04916	100.0
132.05257	2.3
137.05969	3.5
139.05461	1.2
141.01801	13.9
141.06964	3.2
142.06509	3.0
149.05962	16.4
153.07050	1.5
153.09131	3.0
155.04887	4.4
155.06053	2.9
167.02107	4.3
168.02885	5.7
169.06422	2.0
170.06000	3.8
173.99393	1.2
176.03362	2.2
177.05377	7.3
180.08051	1.5
181.08586	7.0
184.07436	1.8
185.03181	3.6
185.50893	1.3
190.01387	2.3
191.07097	1.8
192.02875	1.7
194.04433	2.3
195.04491	1.2
196.07495	1.2
197.05920	1.8
199.03905	5.0
202.01372	2.8
208.07532	2.0
209.08076	28.7
212.07016	9.8
213.05466	1.4
215.06938	2.5
216.03065	2.1
217.00066	2.0
218.00810	18.7
220.02382	1.6
222.03897	6.0
224.07018	1.5
225.05550	2.5
232.02464	2.6
236.07074	4.5
238.05023	2.1
239.06993	5.1
240.06833	1.3
241.04933	7.2
246.03972	3.2
251.09222	2.4
252.06593	3.5
254.08121	5.7
256.06134	2.6
259.06125	2.6
260.01981	3.0
264.06619	2.5
271.08334	2.0
272.01852	2.2
272.09137	12.0
274.03491	1.8
278.02789	2.7
280.06015	18.6
282.07422	2.9
288.01578	2.9
290.02942	2.5
292.06036	2.5
296.09186	4.5
297.99734	1.9
298.07056	2.9
302.02899	26.4
306.07578	2.2
312.01361	2.5
314.10129	1.7
316.00876	4.0
320.04022	5.6
322.07059	24.1
334.01926	3.5
334.06696	1.5
346.07013	2.2
354.02554	1.3
364.08170	22.9
374.06537	4.4
376.08276	2.0
384.12247	24.6
386.06366	2.2
392.07562	19.2
392.12314	1.8
393.08502	1.4
402.06146	5.6
404.07623	1.7
406.09232	25.0
407.09698	1.5
416.07556	3.3
418.09195	5.9
420.07031	8.2
426.13452	2.1
434.08231	6.0
436.11307	5.5
450.12048	9.4
454.12817	4.5
458.09009	2.3
461.93936	1.4
462.08078	1.9
478.12762	9.0
496.13876	16.8
506.11972	5.0
507.12939	5.6
507.20496	1.6
508.14233	1.8
510.07758	2.5
510.15378	46.5
511.15607	3.0
524.13318	5.7
525.14111	2.4
539.15601	2.1
556.16168	9.1
566.13983	5.0
582.12054	3.3
596.10382	6.6
622.16577	1.8
626.15039	25.1
627.14661	1.8
654.15796	4.7
682.15625	2.3
686.18481	25.2
687.17896	1.4
700.16492	39.5
701.17072	2.0
714.18005	8.5
715.18738	1.8
726.65942	1.5
732.19373	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03430	0.9
55.01815	1.2
63.00216	0.9
67.01814	1.0
68.99728	2.7
69.19337	4.8
70.02882	2.2
71.71239	0.6
76.69640	0.7
77.03871	1.1
79.05486	20.6
79.05907	1.2
83.03643	2.8
84.50375	0.9
91.05427	1.7
94.10355	0.9
94.14902	0.7
95.04866	2.7
97.02839	0.9
98.02348	1.9
98.22707	1.6
103.05450	10.6
105.03342	0.9
105.04420	1.3
105.06967	1.3
107.04945	36.4
110.02311	2.1
111.03179	6.4
123.00746	0.7
126.01817	1.9
131.04916	29.1
138.01845	23.5
139.02530	3.2
140.03325	3.0
141.01759	1.1
141.06956	0.8
143.77495	0.8
148.03665	0.9
149.05791	1.0
150.01788	0.7
151.00215	0.8
155.04834	0.8
156.02815	2.0
165.01802	0.7
166.01341	35.7
166.99692	2.5
167.02122	82.3
168.02905	22.3
169.01213	3.2
171.04539	1.0
173.05893	2.0
176.03398	1.2
176.65111	0.7
178.01308	1.4
179.03278	2.2
180.02832	1.1
184.02391	11.7
185.03172	51.0
186.03549	0.8
188.03345	1.3
190.99664	4.0
191.02013	1.2
192.02780	2.9
194.04425	0.8
202.01245	1.3
204.02829	2.1
209.00839	5.6
211.02438	4.5
211.04010	0.9
214.08623	1.3
216.02869	0.9
218.00766	1.5
220.02341	2.1
225.05423	15.8
227.01729	1.4
228.06511	1.9
229.07335	1.0
238.06255	1.1
241.04907	0.9
242.08089	9.3
248.01804	1.4
255.06500	3.7
255.19629	0.8
264.01355	0.9
270.07574	35.5
271.08362	65.5
272.09109	23.6
282.07785	0.8
284.01736	0.8
286.03241	1.0
288.01251	2.3
290.02802	0.9
295.05853	1.7
296.09106	1.3
297.07474	2.1
306.02502	1.8
312.01108	2.2
313.07101	6.9
314.03107	1.1
315.08649	4.8
316.00916	1.3
317.01498	1.9
322.07126	1.0
340.00674	1.9
348.08578	1.0
354.06244	0.9
358.01755	1.1
388.07822	0.8
392.07486	2.6
402.06021	1.0
410.08774	1.6
412.09903	1.7
416.07370	1.8
418.08932	1.3
420.06985	1.8
421.07849	4.6
444.07104	2.3
462.08319	2.7
480.09430	4.3
496.13861	1.2
510.15555	1.1
520.14221	0.9
522.15558	2.5
524.13464	7.0
525.14508	4.0
548.13330	3.3
566.14557	5.3
584.15454	100.0
585.15619	6.9
605.04871	0.9
732.20636	33.5
733.21094	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	732.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01869	3.7
57.68615	1.2
65.03937	3.7
67.05512	1.2
68.99786	1.1
75.04472	3.4
77.03958	1.1
77.87385	1.0
78.04714	3.4
79.05486	2.6
85.02902	3.5
89.03949	1.6
91.05483	15.5
93.03401	11.2
93.07051	7.3
95.04974	7.7
97.06535	3.0
97.96252	1.0
103.05477	7.7
105.04496	2.8
105.07037	1.6
106.04166	33.7
107.04997	1.4
109.06481	1.7
117.03404	1.8
119.04956	1.4
121.06505	38.1
123.04395	2.1
125.06001	8.9
131.04886	6.0
133.06583	1.3
134.03648	4.7
135.04381	1.1
136.37175	1.0
137.05962	5.8
138.06708	1.5
139.07550	3.9
145.02817	1.7
148.05174	2.4
149.05969	53.2
150.06316	1.4
151.07571	2.2
152.08270	1.5
153.05447	1.6
153.09113	14.3
163.07494	1.9
166.06221	1.6
177.05466	28.8
181.08585	29.0
191.07021	3.5
193.08575	2.0
209.08078	100.0
210.08395	2.6
212.07051	1.2
251.09152	7.0
270.07718	1.9
369.13297	1.7
408.56110	1.2
631.42352	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
57.18039	1.0
69.03439	1.9
70.06583	1.5
70.26340	2.1
80.82120	1.1
81.03418	3.6
84.04586	0.9
85.02902	3.3
89.03912	7.5
91.05484	4.8
93.36243	1.0
97.02892	4.1
99.04471	1.4
103.05483	1.9
105.03373	1.2
105.07027	1.5
109.02875	2.1
117.03374	22.5
119.04961	5.7
119.18688	1.0
123.04294	1.0
127.03939	2.3
131.04950	2.6
133.02859	3.0
134.03587	1.1
135.04398	2.3
137.05971	9.7
145.02847	69.9
146.03183	2.2
147.04393	5.8
149.05983	11.1
150.06743	1.7
151.03934	3.7
151.07521	1.8
161.05994	4.2
162.06766	2.7
165.05475	1.2
168.02896	2.1
169.01085	1.0
175.03867	5.0
177.05463	100.0
178.05832	2.1
179.07045	12.1
201.05447	10.8
219.06537	1.2
219.10202	1.5
231.06526	1.3
257.72314	0.9
275.97723	1.0
277.08316	1.3
285.17487	1.1
305.08182	2.5
325.10748	10.1
326.10754	1.2
337.10648	6.7
341.09967	2.1
355.11755	12.9
360.73727	1.1
373.12830	15.9
399.14041	1.0
413.13351	1.3
427.15005	1.0
487.15988	2.2
517.17133	2.3
535.17950	7.9
548.53705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.4
52.73034	1.1
55.01876	1.0
65.48301	1.0
69.03423	1.1
69.71156	0.8
70.06593	2.8
71.42944	1.5
72.08155	1.3
74.59451	1.0
81.03407	6.3
84.04478	1.2
84.08150	1.7
85.02888	2.7
86.09670	2.2
89.03905	7.7
91.05473	6.9
93.07008	1.3
95.04958	1.4
96.06985	0.9
99.04457	1.0
103.05490	1.8
109.02876	3.3
117.03378	27.2
119.04932	11.4
121.06528	2.6
124.05214	1.3
133.02850	33.0
134.03574	1.4
135.04425	2.8
137.05954	10.4
145.02840	73.3
146.03168	1.4
147.04390	10.0
149.05965	23.2
150.06763	6.1
151.07527	2.4
161.05995	6.9
162.03188	1.1
162.06737	3.8
162.25128	0.9
163.03922	1.3
165.05449	5.6
173.05963	1.0
173.88919	1.1
175.03905	18.7
177.05461	100.0
178.05757	2.1
179.07036	5.8
201.05455	14.5
205.06468	2.5
208.01038	1.0
209.97572	1.0
222.06932	1.2
231.06465	1.4
233.05969	3.3
237.09215	1.0
247.07468	1.1
250.06049	1.5
261.05298	2.1
262.06195	1.5
265.08618	4.5
282.86215	1.0
292.07361	2.0
293.08069	3.6
305.08136	2.1
307.09512	2.2
309.11206	1.3
325.10675	64.1
326.10934	1.3
337.10779	5.4
339.10645	1.2
355.11798	12.7
373.12790	3.4
469.15036	2.0
487.15958	11.3
517.17200	1.8
530.63599	1.2
535.17859	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
61.61089	0.7
66.99388	0.8
69.03438	1.2
70.06596	1.3
74.87449	0.8
78.04708	0.9
81.03406	5.3
82.70628	1.1
84.08102	0.8
85.02898	2.5
86.09703	2.0
89.03915	8.0
91.05473	6.6
93.07037	1.4
95.04938	1.4
99.04442	1.4
103.05414	1.3
105.03404	1.3
109.02872	3.2
117.03378	31.9
118.77988	0.8
119.04941	10.5
121.06487	2.2
124.05125	0.9
127.03966	1.1
133.02849	32.6
134.03644	2.0
135.04433	2.0
137.05960	14.0
145.02840	80.1
146.03189	2.0
147.04410	9.1
149.05974	23.1
150.06773	4.6
151.07539	1.8
157.03960	1.2
161.05972	7.3
162.06757	3.6
163.03903	1.1
165.05522	6.1
173.05972	1.8
175.03905	19.6
177.05463	100.0
178.05829	2.1
179.07018	6.3
186.03076	0.9
201.05444	16.1
205.06506	2.1
222.06755	1.3
233.05954	5.5
247.07590	1.1
249.05426	1.2
261.05432	2.5
265.08554	5.7
277.04971	0.9
292.07285	2.6
293.07870	3.8
297.11108	1.2
305.08109	2.7
307.09708	1.8
320.33542	0.8
321.09647	1.6
325.10684	68.3
326.11014	2.2
337.10773	4.9
339.10693	1.7
355.07605	1.5
355.11716	14.6
373.12921	5.8
426.33243	0.9
469.14578	1.9
474.39011	0.9
487.16013	12.7
499.15601	1.3
517.17004	1.7
535.17706	2.7
625.02185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01867	2.8
55.05515	1.9
57.03433	1.9
57.07096	1.0
61.02907	1.2
65.03959	1.3
67.05492	4.3
68.99802	1.6
69.03426	8.2
69.07066	1.9
70.08979	1.6
70.09308	1.3
70.23431	0.8
71.04992	1.7
73.02909	1.2
79.05489	6.3
80.94597	0.9
81.03418	10.9
81.07065	4.9
83.04980	1.7
85.02905	13.9
87.00831	9.4
89.43903	1.0
91.05476	6.8
93.07052	8.8
95.04955	4.4
95.08594	9.1
97.02898	15.4
99.04436	4.5
105.01842	4.8
105.07011	10.4
107.04966	3.0
107.08581	10.2
108.08102	1.0
109.02879	15.6
109.06532	5.1
109.10143	3.5
111.08051	1.1
113.02366	1.0
117.07010	2.7
119.04900	1.5
119.08582	19.3
120.08093	2.2
121.06486	4.0
121.10139	13.4
122.06042	2.6
123.08062	2.8
123.11683	1.6
125.02347	2.0
127.03905	13.4
128.06265	0.9
129.07001	2.1
130.07709	1.2
131.08598	6.3
133.06506	2.7
133.10130	15.8
134.07227	1.2
135.08055	5.5
135.11664	2.1
136.07616	1.0
137.09631	1.5
141.05637	1.1
141.06863	1.2
142.07790	3.0
143.03333	1.7
143.08537	5.1
144.24768	0.9
145.02864	1.0
145.04919	2.3
145.10124	16.2
147.08029	4.0
147.11700	6.9
148.07594	4.3
149.07913	1.6
149.09602	3.1
150.09137	1.4
152.07066	1.5
153.05472	2.5
155.08545	3.1
156.09354	3.7
157.06551	1.5
157.10117	14.3
158.10887	1.8
159.02885	2.7
159.08075	3.4
159.11707	13.0
161.05971	1.2
161.09576	5.6
161.13240	5.1
163.07491	1.5
163.11145	1.5
164.07047	1.6
165.09196	1.0
167.07059	1.1
167.08492	1.8
168.09328	1.8
169.10144	5.8
170.10918	4.2
171.07930	1.8
171.11676	14.4
172.03957	2.8
172.12415	2.5
173.09668	4.7
173.13252	10.4
174.14006	1.9
175.11147	4.4
175.14832	3.4
177.09032	0.9
177.12769	1.4
177.16365	1.5
179.08569	1.6
180.09416	1.2
181.10164	3.8
182.10925	1.4
183.11702	14.7
184.12268	2.2
185.09598	1.5
185.13261	6.3
187.11191	4.2
187.14809	19.0
188.11990	1.7
188.15532	3.1
189.09102	1.1
189.12737	2.4
193.10109	2.6
194.10898	1.9
195.11620	4.5
196.08591	0.9
196.12421	2.0
197.13280	6.8
198.14020	11.8
199.11185	4.2
199.14798	7.9
201.09038	3.1
201.12766	4.7
203.14281	8.1
204.06587	7.1
205.06912	2.2
205.15881	4.4
207.11684	2.8
209.09608	1.9
209.13301	4.2
211.11142	1.7
211.14838	1.8
213.03961	4.1
213.09071	1.1
213.12764	1.5
213.16135	1.0
215.10602	2.0
215.14308	3.3
216.15134	5.9
217.15848	5.0
221.13274	1.5
222.13985	1.1
223.11218	3.8
223.14787	2.6
227.10652	1.9
227.14307	2.1
231.05003	3.7
234.14085	1.1
237.12810	2.0
237.16399	4.5
239.17975	2.4
241.12187	1.6
241.15921	1.8
245.11603	1.3
247.09705	3.7
247.14888	1.2
249.16243	1.7
251.10930	1.1
251.14308	1.0
255.10144	1.8
255.13789	0.9
255.17427	6.2
256.68738	1.0
263.11710	1.9
264.12054	1.3
265.13254	1.3
265.15887	8.8
267.17444	2.8
268.11261	1.7
271.13278	1.2
273.14847	2.1
279.11240	2.0
283.14069	1.3
283.16806	7.8
285.12091	1.8
285.14893	1.4
287.16360	4.3
293.15430	5.1
297.12186	2.5
298.12704	1.5
301.17929	11.4
309.12311	2.1
310.12903	1.5
311.16397	62.9
312.16696	3.5
329.17450	100.0
330.17804	4.5
337.11630	2.7
338.12173	2.4
347.18521	18.9
353.17426	2.2
371.18524	16.4
389.19550	13.8
449.21368	2.6
577.20013	3.5
608.22046	2.2
609.22528	6.0
614.27112	1.1
700.26215	2.6
732.34460	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	732.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.7
55.01875	5.9
57.03451	2.8
57.13154	2.0
67.05505	9.9
68.99779	2.7
69.03444	14.7
69.07082	5.0
70.33456	2.1
71.04992	4.1
74.53356	2.0
79.05505	9.0
81.03406	15.0
81.07059	15.7
85.02908	25.4
87.00831	14.2
89.06043	2.7
91.05482	9.9
93.07046	9.0
95.04976	2.8
95.08600	16.1
97.02895	22.9
97.06542	3.5
98.23428	6.3
99.04464	7.0
105.01872	9.9
105.07030	14.6
106.85899	1.9
107.04958	6.7
107.07914	3.1
107.08578	21.6
109.02882	26.4
109.06552	7.5
109.10155	19.3
113.46862	2.0
117.01821	2.0
117.07020	6.1
119.08594	22.7
121.06525	8.4
121.10153	10.6
123.08109	3.2
125.02348	2.6
127.03910	29.7
129.06946	2.5
131.08553	9.1
133.06485	3.0
133.10149	16.5
135.08075	9.8
135.11678	3.4
137.09579	2.8
143.08580	5.3
145.04941	4.6
145.10114	19.3
147.04454	2.8
147.08153	5.3
147.11703	6.1
149.06001	2.5
149.09683	4.5
151.03876	2.4
151.11220	2.6
153.05496	2.8
155.08508	2.3
156.09352	3.1
157.10162	10.9
158.10922	3.8
159.02928	4.2
159.08055	4.3
159.11688	16.6
161.09647	7.2
161.13283	7.6
163.07550	3.3
169.10141	4.6
170.11020	4.1
171.08138	2.6
171.11711	8.3
173.09631	4.6
173.13248	10.4
175.07529	3.2
175.11188	4.3
175.14822	11.3
177.05501	4.4
177.12796	8.5
181.10255	2.7
182.10818	2.4
183.08089	3.9
183.11688	5.9
183.57919	2.4
185.09630	3.9
185.13255	7.0
187.11203	6.6
187.14801	32.9
188.11983	2.4
189.09117	2.2
189.12785	3.4
191.07034	2.4
193.08517	3.2
195.06544	3.3
195.11671	4.3
197.13300	3.6
198.14063	2.3
199.14867	3.9
201.09178	2.3
201.12770	4.1
203.14261	10.7
205.15889	20.0
207.06604	2.5
207.11670	2.4
209.08046	5.7
213.03970	6.2
215.12158	3.0
216.15111	4.2
223.14828	2.8
229.15874	3.6
231.05042	9.1
243.11229	6.7
255.17365	4.4
263.16422	3.9
265.15857	5.8
273.14636	2.9
283.16922	6.3
285.12341	6.1
287.16452	8.6
291.15784	7.4
293.15366	4.8
301.17957	12.6
302.04431	2.5
303.13388	10.7
310.91965	3.2
311.16409	25.4
317.17798	3.4
329.17465	100.0
330.17847	5.8
347.18539	54.2
370.04480	2.3
371.18359	6.1
389.19626	10.6
407.20908	3.6
449.21802	2.9
467.09738	2.7
732.33997	6.2
733.20471	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	732.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
57.07074	34.6
59.04987	1.7
69.07069	3.7
69.25088	3.2
70.54524	0.5
71.08631	27.7
73.02926	1.7
73.06559	9.0
79.05470	0.8
80.89738	0.7
81.07072	1.1
83.08618	1.7
85.10178	16.0
87.04465	11.6
87.15759	0.7
89.06028	100.0
90.06348	1.0
91.05454	1.0
91.07584	1.3
95.04922	0.9
95.08602	1.0
97.02316	0.7
97.10170	3.9
99.11712	3.9
105.07032	7.4
107.07062	2.5
108.47124	0.8
109.10144	0.7
111.11732	2.8
113.13277	2.4
117.09127	9.0
125.13210	0.8
127.14822	1.1
130.08652	1.7
131.07047	2.5
133.08600	52.1
135.10168	1.1
147.15485	0.7
161.11705	2.1
169.19591	3.1
175.09682	1.4
177.11211	20.9
179.12843	0.7
184.07339	2.9
213.22142	3.0
221.13857	3.5
239.15131	0.7
257.24704	5.6
291.38654	0.7
301.27274	3.7
327.20074	0.8
547.33405	0.9
633.22180	0.8
715.51752	2.2
732.42078	0.9
732.54388	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	733.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.7
67.01864	4.4
68.99788	2.7
69.03445	0.5
69.35040	0.8
69.35448	2.2
70.06598	0.8
81.03420	0.9
85.02892	1.0
97.02888	1.3
111.00803	1.1
111.04428	2.0
121.02859	39.3
121.03927	2.7
122.03203	0.6
147.04425	0.8
153.01813	18.2
163.03793	0.8
171.02913	4.9
171.04369	1.0
199.03928	0.7
203.03409	0.9
209.05852	0.8
215.03459	2.1
217.04994	0.6
227.03404	2.7
245.04526	0.8
255.02832	3.6
256.06213	1.0
271.02484	1.0
273.03897	3.2
283.02396	2.6
299.05322	0.7
301.03348	6.8
327.01453	1.4
419.07587	59.5
420.07803	3.3
445.05545	6.7
571.08685	100.0
572.08905	6.5
706.18457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03934	0.4
55.01862	0.9
57.12092	0.2
65.03936	2.0
67.05501	1.6
68.99773	0.5
69.03426	1.1
69.29929	1.4
70.06582	0.5
79.05492	0.5
81.03433	0.7
85.02899	1.2
91.05477	17.6
91.38125	0.3
93.03406	0.4
95.01356	0.5
95.04964	1.8
97.02890	0.3
98.23410	0.6
98.84486	0.3
103.03883	0.4
103.05479	1.0
105.03394	0.3
105.04519	0.4
105.07026	16.9
107.04990	0.3
108.02074	2.3
109.02881	0.8
111.04442	0.8
114.10265	0.4
115.05458	1.7
121.02897	0.4
121.04002	0.4
127.03911	0.8
129.07066	0.5
131.04887	1.4
133.06480	1.3
135.04369	0.3
136.01534	0.7
141.05469	1.9
147.04384	0.8
151.03906	100.0
151.04996	8.7
152.04213	1.9
155.04836	0.3
157.06422	0.5
163.03900	3.1
165.05467	0.4
168.02922	1.1
171.04469	0.3
173.02399	0.4
175.03885	1.2
177.05495	0.6
178.07788	0.4
179.08611	0.3
181.04988	0.3
185.00861	0.5
187.03946	0.7
189.05484	0.4
191.03368	0.5
193.05000	0.5
195.07938	0.6
199.04070	0.3
203.08661	0.4
205.04895	0.7
213.05489	0.5
215.03268	0.3
216.04037	0.4
217.04985	1.1
221.09674	0.3
223.07587	0.5
227.03593	0.3
229.05087	0.6
233.09610	0.4
241.04982	0.8
247.11182	0.4
249.09189	0.6
254.05821	0.3
258.05417	0.3
259.05975	0.5
261.09070	0.4
270.05032	0.4
271.06033	0.9
272.09149	0.8
275.10443	0.4
277.08673	1.9
279.10291	0.3
283.09607	1.3
285.07578	0.6
286.04642	0.4
287.05508	0.6
289.08731	0.6
295.09741	6.7
303.10077	0.6
307.09668	2.1
313.09125	8.8
319.09631	0.4
321.11108	0.5
325.10681	6.7
326.11105	0.4
331.09656	0.8
337.10660	0.6
343.09247	0.3
349.10699	7.3
350.11084	0.4
361.10550	1.8
363.12354	0.4
367.11685	1.3
373.10687	2.0
379.11771	6.6
380.11969	0.3
391.11755	4.5
397.12854	0.4
403.12527	0.5
409.12878	5.4
415.14157	0.4
427.13812	4.2
428.14526	0.4
433.12866	0.6
445.13300	0.5
451.13681	0.4
463.13611	0.4
469.15164	0.3
475.13983	0.5
481.14929	0.4
493.14697	0.6
511.15720	0.5
529.16486	0.4
557.10028	1.4
689.24664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.3
65.79363	1.1
69.24131	6.2
70.06579	2.2
84.05628	26.5
85.02903	1.4
97.06393	1.1
98.18568	0.9
99.05563	3.2
119.04942	1.6
126.01081	4.8
128.02629	13.0
134.37750	1.0
137.05991	3.8
141.02075	1.0
146.05978	1.6
146.07166	1.8
147.04393	5.2
147.06613	1.7
151.01836	1.9
151.69127	1.0
159.08067	1.5
161.05959	1.4
167.03719	1.1
168.00540	7.2
169.78929	1.0
173.08218	2.9
174.09021	10.7
175.09787	87.6
176.08040	0.9
176.10083	1.1
183.02884	32.3
186.01549	7.6
187.07529	2.5
201.03851	2.4
209.05884	100.0
210.06662	18.4
212.05872	14.6
253.12440	1.0
256.05951	85.0
257.06262	1.6
303.08591	30.3
304.08823	1.4
309.11026	1.9
327.12225	1.1
463.07422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.1
53.03934	1.6
55.05499	2.2
56.36522	0.6
57.07063	0.9
59.04983	1.1
67.05495	2.8
68.49936	0.6
69.03418	1.1
69.07047	1.5
69.86419	1.7
71.05010	0.6
73.02917	8.1
73.06546	0.9
77.03929	1.6
78.03447	17.8
79.05486	5.5
81.03418	0.9
81.07043	4.1
83.05012	0.6
87.04459	4.3
89.06023	5.9
91.05478	5.0
93.07027	4.6
95.04964	10.1
95.08590	4.4
96.04500	4.2
97.02880	0.9
97.06520	0.7
103.05460	1.5
105.03386	37.2
105.04419	3.7
105.07021	30.4
105.07741	1.3
106.02908	100.0
106.07330	3.8
107.03252	1.5
107.04977	1.3
107.08584	3.8
109.06527	1.0
109.10136	1.4
115.05450	1.0
117.01892	0.9
117.07003	2.7
117.09153	1.0
119.06063	1.0
119.08570	10.0
121.06516	4.3
121.10111	4.3
123.08060	1.2
124.03942	40.0
125.02316	1.1
127.03897	1.1
128.06245	1.6
129.06976	3.3
130.07796	1.5
131.08551	6.1
133.06505	1.2
133.08615	3.1
133.10117	9.0
134.07285	1.0
135.08044	2.4
135.11653	0.7
141.06964	1.3
142.07764	1.9
143.03433	0.9
143.08556	4.1
144.09291	0.7
145.10110	12.1
147.08044	4.9
147.11696	4.2
148.08461	0.8
149.09608	2.4
153.03137	0.7
153.05519	0.7
153.06987	0.6
154.07817	0.6
155.08578	2.9
156.09308	3.0
157.06537	0.6
157.10110	7.5
158.10938	1.0
159.08083	1.7
159.11684	7.0
160.12416	0.5
161.09593	3.0
161.13260	1.3
165.06992	1.3
167.08591	1.0
168.09308	1.5
169.10139	3.0
170.10916	4.1
171.08066	1.1
171.11676	6.4
172.12428	1.9
173.09589	2.6
173.13269	6.3
174.10390	1.0
174.14032	1.5
175.11234	1.8
175.14854	1.5
177.11273	0.9
178.08623	25.9
179.08652	1.5
180.09412	0.6
181.10139	2.8
182.10837	0.7
183.08043	0.8
183.11678	8.2
184.12422	0.8
185.09677	1.8
185.13243	3.7
186.10342	0.8
187.11188	2.3
187.14812	14.2
188.11949	0.7
188.15437	1.1
189.12769	1.0
192.09142	0.7
193.10179	1.8
194.10910	0.7
195.11749	3.4
196.12508	1.2
197.09741	0.8
197.13223	3.9
198.14018	5.6
199.11186	0.9
199.14767	3.7
201.09157	0.9
201.12804	2.4
203.14285	4.3
206.08127	8.7
207.11665	1.5
208.12425	0.9
209.09775	0.8
209.13264	1.8
210.14066	0.7
211.11197	1.2
211.14751	1.1
213.12752	0.8
215.14302	1.5
216.14973	2.6
217.15941	1.6
219.11885	0.6
221.13374	0.9
223.11192	1.0
223.14810	1.4
224.09163	22.3
225.09416	0.9
225.12643	1.3
227.10591	0.7
231.10165	0.6
237.12709	1.3
237.16402	1.9
239.18068	0.9
241.12265	1.1
247.09512	0.6
247.14867	0.9
249.12827	0.7
251.10616	0.9
251.14330	0.6
255.17485	2.2
265.15851	3.6
267.17514	1.0
271.12967	0.9
273.14877	0.6
283.13934	0.8
283.16995	3.8
283.85693	0.6
287.16373	2.8
293.15396	1.1
301.17859	2.5
309.18341	0.8
311.16409	13.2
321.26807	0.6
329.17435	15.0
330.17996	1.0
371.18613	0.6
552.25781	1.9
594.27039	0.8
627.24994	0.8
656.28430	1.8
674.29877	3.9
716.30536	1.8
734.31421	18.7
734.41962	1.0
735.31104	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	736.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01905	0.3
69.58439	0.8
69.58826	0.5
80.34171	0.3
81.31734	0.3
85.02886	0.5
91.05420	0.4
94.02910	0.5
95.01323	1.8
112.03961	1.7
122.49712	0.3
124.03909	0.4
135.04503	0.3
137.05965	0.3
140.03416	17.3
140.93663	0.3
141.03741	0.3
142.05020	0.5
151.03894	2.3
151.04970	0.5
152.03398	0.3
163.03882	0.4
167.07092	0.4
168.02908	100.0
169.03291	1.9
181.04947	4.0
249.16640	0.3
262.07214	0.6
286.07092	7.7
304.08133	50.1
305.08521	1.8
343.10254	0.4
370.93747	0.3
665.92596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91908	0.8
60.05643	3.9
68.05035	8.3
69.05797	1.3
70.06593	100.0
72.05642	1.5
81.03426	1.2
94.02944	2.2
95.06084	1.4
96.04496	14.5
98.07192	1.0
103.05478	3.8
107.04966	1.4
108.04462	2.0
109.02867	2.6
110.07177	2.7
111.07948	1.2
112.08727	52.2
120.04449	2.8
130.09654	0.9
131.04930	13.0
132.05310	1.1
137.02383	1.4
146.06023	1.2
149.02380	2.9
151.03888	1.0
152.56261	1.0
153.01868	1.1
160.07584	3.3
166.01302	1.1
172.07524	1.2
176.03481	1.9
177.01822	4.3
179.03435	1.5
188.07074	2.0
191.05766	2.3
200.07053	3.5
205.01314	14.4
206.04541	1.6
207.02884	4.6
214.04988	1.9
216.06657	2.6
218.04512	3.3
219.05319	1.0
223.02376	75.0
224.02821	1.4
228.06573	11.9
233.00890	6.4
235.02325	2.3
236.06734	1.0
246.07567	1.5
250.03477	8.0
251.01936	3.9
252.05054	1.4
256.06042	46.7
257.06503	1.1
268.04495	23.6
271.06085	1.2
272.05472	5.3
273.08801	1.2
274.07251	1.5
274.89313	0.9
280.09830	2.1
282.07141	1.0
284.05548	11.5
285.07578	1.4
290.06696	1.6
301.08145	4.3
302.06702	1.5
309.07602	15.5
311.09164	1.1
316.09207	3.4
323.11490	3.4
337.07004	14.2
339.08646	1.4
351.08405	1.9
354.09702	69.8
355.10159	3.4
356.11279	15.9
360.12231	6.7
361.11322	9.4
370.10928	1.1
376.11688	4.0
381.15594	5.3
383.17227	3.7
388.11758	9.5
394.13071	1.2
405.09076	1.8
405.14383	24.2
405.19617	1.7
406.13898	1.1
408.10583	7.7
423.15509	53.7
424.15784	3.6
447.16660	1.5
464.14474	1.2
465.17661	45.7
466.17899	3.3
606.58881	0.9
718.25079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91908	0.8
60.05643	3.9
68.05035	8.3
69.05797	1.3
70.06593	100.0
72.05642	1.5
81.03426	1.2
94.02944	2.2
95.06084	1.4
96.04496	14.5
98.07192	1.0
103.05478	3.8
107.04966	1.4
108.04462	2.0
109.02867	2.6
110.07177	2.7
111.07948	1.2
112.08727	52.2
120.04449	2.8
130.09654	0.9
131.04930	13.0
132.05310	1.1
137.02383	1.4
146.06023	1.2
149.02380	2.9
151.03888	1.0
152.56261	1.0
153.01868	1.1
160.07584	3.3
166.01302	1.1
172.07524	1.2
176.03481	1.9
177.01822	4.3
179.03435	1.5
188.07074	2.0
191.05766	2.3
200.07053	3.5
205.01314	14.4
206.04541	1.6
207.02884	4.6
214.04988	1.9
216.06657	2.6
218.04512	3.3
219.05319	1.0
223.02376	75.0
224.02821	1.4
228.06573	11.9
233.00890	6.4
235.02325	2.3
236.06734	1.0
246.07567	1.5
250.03477	8.0
251.01936	3.9
252.05054	1.4
256.06042	46.7
257.06503	1.1
268.04495	23.6
271.06085	1.2
272.05472	5.3
273.08801	1.2
274.07251	1.5
274.89313	0.9
280.09830	2.1
282.07141	1.0
284.05548	11.5
285.07578	1.4
290.06696	1.6
301.08145	4.3
302.06702	1.5
309.07602	15.5
311.09164	1.1
316.09207	3.4
323.11490	3.4
337.07004	14.2
339.08646	1.4
351.08405	1.9
354.09702	69.8
355.10159	3.4
356.11279	15.9
360.12231	6.7
361.11322	9.4
370.10928	1.1
376.11688	4.0
381.15594	5.3
383.17227	3.7
388.11758	9.5
394.13071	1.2
405.09076	1.8
405.14383	24.2
405.19617	1.7
406.13898	1.1
408.10583	7.7
423.15509	53.7
424.15784	3.6
447.16660	1.5
464.14474	1.2
465.17661	45.7
466.17899	3.3
606.58881	0.9
718.25079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01863	0.9
55.05512	5.3
57.03417	0.6
58.65338	0.6
58.99579	1.4
61.01148	1.6
65.03935	0.8
65.80567	0.7
66.92056	0.6
66.92467	0.7
67.05502	3.5
69.03428	21.9
69.07050	2.0
78.03436	0.7
79.05486	3.2
81.03416	8.5
81.07057	4.8
83.04977	15.9
85.02896	3.3
89.00611	3.3
89.06027	0.8
91.05471	5.0
93.07039	4.1
95.04950	2.3
95.08600	5.3
97.02875	0.9
97.06516	0.8
99.05091	0.7
105.00089	1.5
105.07039	6.9
107.08587	5.5
109.02869	1.2
109.06503	1.6
109.10134	1.8
111.03669	1.6
111.04440	32.9
111.08086	0.7
117.07020	5.3
119.04898	1.0
119.08571	9.4
121.06472	1.3
121.10146	2.5
129.06978	3.0
130.07774	1.5
131.08566	13.8
132.99532	3.3
133.10107	5.3
135.08051	0.7
141.06921	1.0
142.07770	1.6
143.08566	6.1
144.09346	1.7
145.06441	0.8
145.10117	35.1
147.04378	1.7
147.08031	0.8
147.11679	4.1
153.06949	0.9
155.08536	3.1
156.09288	2.3
157.10136	8.5
158.10939	2.7
159.08047	1.1
159.11681	15.2
161.09715	0.8
161.13261	1.8
165.07018	1.1
167.08583	2.1
169.10168	4.9
169.11406	1.0
170.10880	1.3
171.11685	5.4
172.12444	3.4
173.09625	1.2
173.13257	3.1
177.04114	0.7
179.08571	1.5
180.09256	1.4
181.10059	3.4
182.10948	2.2
183.11618	3.7
185.13255	7.8
187.14809	100.0
188.15230	3.3
193.10091	2.0
194.10999	0.9
195.11667	4.6
196.12444	1.5
197.09518	1.0
197.13275	8.3
199.14795	2.1
200.15126	0.8
205.15874	1.7
207.06471	2.8
207.11668	2.3
208.06845	1.2
208.12549	0.9
209.09724	1.0
209.13223	2.4
209.42822	0.7
211.11058	0.9
211.14778	4.9
215.14290	2.9
217.10382	1.3
219.11861	1.7
220.12471	1.0
221.13309	1.3
223.11139	1.3
223.14786	1.8
225.16185	0.9
229.15868	1.8
231.11929	2.2
233.13210	1.6
235.14827	1.7
236.15906	0.7
237.12712	1.1
237.16344	1.4
245.13431	0.8
251.17934	2.6
253.15901	2.3
257.19055	0.8
261.16241	1.0
269.19049	1.8
279.17468	8.4
297.18475	56.6
298.18912	2.2
307.13599	1.5
309.15176	33.3
310.15402	1.1
315.19553	2.7
317.12979	0.8
332.61203	0.7
347.44125	0.7
375.21375	1.2
401.17773	4.4
419.18839	49.1
420.19083	2.2
471.20551	1.0
479.20993	14.8
566.03003	0.7
613.93854	0.8
673.92841	0.8
678.98297	0.7
710.96667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38047	1.1
55.01873	1.7
55.05504	3.6
56.05029	1.8
58.99596	4.6
60.04512	1.7
67.05499	7.3
69.03424	2.2
69.07063	3.9
70.02949	19.3
70.06612	3.1
71.04967	2.9
71.14017	1.5
72.08160	5.7
74.00662	2.7
74.02446	2.9
76.02224	13.0
76.04008	11.4
79.05492	6.3
81.03408	2.2
81.07053	15.8
82.06562	1.5
83.04977	3.6
83.06118	4.0
83.08647	1.7
84.04507	9.3
84.08160	2.7
85.03974	1.6
85.06539	2.6
86.00630	1.6
86.09721	1.2
88.02210	5.6
88.03973	2.9
88.82756	1.2
91.05473	8.0
93.07040	6.9
95.04995	1.5
95.08601	7.9
97.01056	1.3
97.02917	1.3
97.06505	3.1
99.05582	7.7
99.08089	4.2
100.02202	1.5
105.07034	14.3
107.08574	7.5
109.07645	3.1
109.10151	4.1
114.03748	3.4
114.27688	1.3
115.05457	1.4
115.07516	1.3
116.01685	7.1
116.03432	3.0
117.07029	3.1
119.08572	9.3
121.10148	3.7
123.11730	1.7
125.07141	1.8
125.09646	1.4
127.05040	1.9
128.06227	1.5
129.06685	5.5
129.10233	1.4
130.05003	7.6
131.04594	1.4
131.08566	13.0
133.06505	3.0
133.10121	4.7
135.02650	1.7
135.07994	1.7
135.11667	2.7
137.04163	1.1
137.13210	1.4
139.03217	1.5
141.06955	3.9
142.03191	1.9
142.07742	1.9
143.02695	1.3
143.08546	8.9
144.01199	1.9
145.06071	100.0
145.10110	18.9
147.08040	1.9
147.11713	3.8
149.13251	1.7
153.06680	3.4
155.08434	8.8
156.09344	8.0
157.10133	10.0
159.08060	1.4
159.11655	7.9
161.09563	1.6
162.02179	7.3
167.08606	2.3
168.09306	2.0
169.06125	3.1
169.10155	8.1
171.11676	17.4
173.13249	4.7
175.11076	1.4
177.03328	5.4
179.04912	8.5
181.06131	2.3
181.10071	2.9
183.11668	9.4
185.03802	7.2
185.09607	1.4
185.13242	5.0
187.05432	1.9
187.11174	1.7
187.14716	1.9
189.03316	2.5
195.11676	3.6
197.13223	6.0
199.07187	5.1
199.14790	3.5
201.12776	2.0
205.12228	1.4
207.06648	1.4
208.12395	1.4
209.13354	2.9
211.14864	2.4
215.10739	2.8
217.06413	3.6
217.12125	1.5
221.13394	1.2
223.14879	2.6
225.16367	3.5
227.17908	2.7
231.04311	12.4
233.05968	2.2
251.18094	1.8
253.19623	3.4
269.18991	3.2
271.20718	2.8
274.10287	19.5
287.20047	2.1
289.21674	2.3
297.18573	2.1
305.21213	3.8
308.09048	3.0
315.19531	3.1
333.20551	1.4
372.19766	2.4
390.20813	3.5
400.19385	1.5
408.22012	4.1
418.19391	1.3
426.23315	1.8
447.23447	1.7
465.24146	6.1
467.25589	3.4
483.25305	3.6
493.23694	4.5
504.25955	1.9
511.24704	23.2
512.24756	1.9
529.25726	15.3
547.26544	5.1
561.16534	1.6
571.27100	10.3
572.26068	1.8
583.26563	4.6
589.27936	18.2
601.27588	1.8
607.28998	16.4
625.27386	1.7
640.28790	3.5
643.28363	4.7
658.29370	4.9
661.29816	11.8
676.30682	2.1
682.04242	1.8
700.30621	3.0
709.37579	1.4
718.32141	12.7
736.32477	20.9
736.42902	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01854	0.3
55.05500	0.4
55.23503	0.3
59.04992	2.2
65.03937	0.5
67.05492	0.6
68.51616	0.3
73.02902	2.0
73.06564	0.8
73.16123	0.4
74.81920	0.3
77.03924	1.1
78.99491	1.3
79.05486	7.7
81.03419	0.6
81.07038	0.3
83.08589	0.5
87.04470	3.6
89.06019	6.5
91.05471	13.6
93.07039	1.7
95.04958	4.4
103.05453	7.4
103.07590	1.7
105.04640	1.5
105.07019	100.0
106.07355	2.2
107.04951	2.6
109.00517	0.3
110.42230	0.3
112.99999	3.3
114.17118	0.3
115.05419	0.8
116.06232	0.7
117.07021	2.3
117.09129	0.4
119.04932	1.7
119.08566	6.4
121.06497	14.2
121.10148	0.4
125.00031	0.5
127.01553	29.0
128.06223	1.9
129.07010	3.8
130.07349	0.4
130.87813	0.4
131.04982	0.5
131.06992	0.8
131.08553	9.2
132.05692	1.1
133.06523	0.8
133.08603	3.9
133.10100	1.7
135.08006	1.0
139.01535	9.5
143.08482	0.5
145.06451	1.1
147.08032	43.6
148.08377	0.8
149.08463	0.6
149.09604	8.7
153.03099	29.3
157.10245	0.4
165.06961	0.5
165.09123	0.9
166.07736	0.8
173.09595	0.9
175.11237	0.4
177.11165	1.1
178.07697	0.4
179.08540	0.9
181.05075	0.3
181.10081	1.7
183.04173	2.9
184.07343	0.4
184.84483	0.4
191.10573	0.9
193.12154	0.7
197.05722	12.8
208.08815	0.8
209.09756	0.4
209.13147	0.5
221.09656	0.4
221.13609	0.4
222.10513	0.5
223.11101	2.4
225.12717	19.6
226.13033	0.5
227.06761	1.2
228.25345	0.4
241.08315	4.1
249.12721	3.4
251.14270	3.0
259.09460	1.2
267.15860	1.2
269.15417	2.5
271.09320	1.9
285.10968	1.1
303.12021	1.2
311.16498	0.7
311.25735	1.1
313.17816	1.1
315.11908	0.9
327.17599	0.7
329.13519	0.6
329.19077	0.6
347.14532	0.9
357.37399	0.4
373.21616	4.0
503.37057	0.7
511.23398	0.5
615.29291	2.9
616.28345	0.4
719.35724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
59.05009	1.4
67.05485	0.3
69.03421	0.3
69.07061	0.5
71.04990	0.5
73.02910	2.1
73.06544	1.0
77.03922	0.9
78.99495	1.0
79.05045	0.3
79.05492	6.4
81.03415	1.0
81.07051	0.7
83.08626	0.5
87.04464	3.2
89.06027	7.0
90.06393	0.2
91.05476	13.2
92.05750	0.3
93.07052	1.7
95.04958	4.5
95.08617	0.3
98.98478	0.3
103.03944	0.3
103.05466	7.4
103.07591	1.5
105.04570	1.3
105.07022	100.0
106.07360	2.5
107.04939	2.3
107.08571	0.3
111.02112	0.3
113.00000	2.8
113.05997	0.3
115.05494	0.4
116.06227	0.8
117.07008	2.4
117.09135	0.4
119.04922	1.3
119.08567	5.8
119.84649	0.3
121.06497	13.1
122.06782	0.3
124.99982	0.3
127.01557	26.1
128.06194	1.6
129.06996	3.8
131.07021	0.7
131.08556	9.2
132.05667	1.2
133.06464	0.8
133.08598	4.3
133.10074	1.6
135.08064	0.6
139.01541	8.4
143.08617	0.3
145.06456	1.3
145.14191	0.3
147.08038	41.3
147.10054	1.1
148.08446	0.6
149.09607	8.8
153.03102	28.2
157.10175	0.3
160.49989	0.3
163.07536	0.3
165.06996	0.5
165.09111	0.9
166.07790	0.3
173.09610	1.1
175.09689	0.6
175.11108	0.6
177.11153	1.5
179.08537	0.7
181.10077	1.7
183.04167	2.8
191.10635	0.6
193.10420	0.2
193.12259	0.8
197.05730	12.8
207.11632	0.4
208.08833	0.5
209.11601	0.3
215.06781	0.4
218.93771	0.3
221.13783	0.2
222.10420	0.3
223.11131	1.6
225.12724	18.9
226.13084	1.0
227.06798	1.5
235.15089	0.3
237.12773	0.4
241.08376	3.4
249.12715	2.3
251.14331	2.5
259.09384	1.1
267.13489	0.4
267.16037	1.3
269.15344	2.3
271.09381	1.1
285.10992	1.3
303.12094	0.8
311.16351	0.3
311.25790	1.5
313.17984	0.9
315.12027	0.8
327.17462	0.6
329.13544	0.6
329.18884	0.7
347.14679	0.4
359.14322	0.3
373.21561	4.5
391.17264	0.4
503.37305	0.7
521.37885	0.3
615.29303	2.7
719.35590	1.4
736.31946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82317	0.1
69.03445	0.1
70.60223	0.2
71.04984	0.1
73.02901	0.3
73.06547	0.5
87.04464	100.0
88.04810	0.7
89.06028	2.2
93.07059	0.1
113.06038	0.2
117.09142	0.7
121.02885	0.2
124.03951	0.1
131.07033	2.8
133.08589	1.1
147.04385	0.2
161.11673	0.1
175.09685	0.5
177.11246	0.4
193.10667	0.2
218.06119	0.1
219.12263	3.1
220.12697	0.1
236.02785	0.1
236.97595	0.1
263.14978	0.3
287.99313	0.1
379.11447	0.2
380.11639	0.2
439.53152	0.1
683.28809	0.1
736.43402	1.6
737.77710	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	737.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49812	0.6
51.80840	0.7
58.39716	0.7
59.10063	0.7
67.05469	0.9
68.99786	0.7
69.00449	0.8
70.06581	1.8
72.08133	0.9
91.05466	0.9
100.07606	1.6
105.07068	0.8
107.08595	1.1
110.06051	0.9
121.02857	2.2
124.11233	1.5
125.02376	1.3
125.09617	1.7
131.04932	2.0
132.05345	0.8
141.95251	0.7
143.28822	0.7
151.03932	0.9
153.01796	6.6
171.02882	1.4
181.01292	3.8
199.02417	5.9
235.09692	0.8
248.23338	0.8
270.05273	1.1
271.06000	6.5
285.07626	0.9
296.06628	1.0
297.11041	1.5
299.05490	54.5
300.05820	2.8
312.13651	2.1
313.07156	1.2
314.07809	6.9
327.15967	10.2
328.11792	1.6
328.25903	4.6
329.10165	100.0
330.10495	4.4
409.05621	1.3
594.39954	1.0
623.90662	0.9
634.94403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.0
67.63697	0.6
69.03432	1.0
69.66000	2.2
72.08138	0.7
77.08794	0.6
91.05496	0.9
93.33408	0.7
98.22765	1.2
100.07588	1.4
106.87276	0.8
121.02896	1.4
125.02361	0.9
125.09594	1.2
145.13190	0.7
153.01816	6.5
154.81892	0.7
171.02853	1.4
180.06596	0.9
181.01292	3.5
199.02319	5.1
212.09198	1.1
230.10265	1.2
266.00369	0.6
270.05371	0.8
271.06018	5.5
285.07489	1.7
299.05499	53.4
300.05841	3.3
313.06857	1.5
314.07776	8.4
328.25790	3.5
329.10184	100.0
330.10468	4.1
461.78021	0.6
724.67059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99893	0.5
67.05489	0.8
69.03416	1.3
70.06589	0.6
72.08138	1.6
79.05479	1.5
81.03407	0.7
81.07022	0.7
83.04969	1.2
85.02889	0.6
91.05450	1.2
100.07640	2.7
107.08582	1.0
121.02861	1.9
124.11201	1.6
125.02333	1.1
125.09636	2.9
137.02275	0.6
139.07358	0.5
145.02834	0.6
151.03867	1.2
153.01819	5.9
171.02884	1.2
177.05463	0.6
180.17528	0.6
181.00002	0.4
181.01352	3.5
188.90909	0.5
199.02356	5.8
209.08078	0.5
225.05432	0.6
245.23741	0.4
256.20456	0.6
260.83081	0.5
269.04404	0.6
271.05966	7.0
277.98141	0.5
285.07608	1.7
296.06912	0.7
299.05475	51.8
300.05780	2.1
312.78415	0.5
313.07053	1.2
314.07773	7.2
327.15781	1.8
328.25891	7.1
329.10153	100.0
329.26233	1.5
330.10449	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	737.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05503	3.3
55.23776	1.2
57.03433	2.2
59.04979	3.4
61.02923	6.4
67.05502	18.2
68.99786	1.9
69.03423	3.8
69.07056	2.2
70.55177	2.7
71.04993	17.2
73.02899	3.5
77.04715	1.0
79.05495	16.1
81.03416	3.1
81.07072	10.2
83.04934	1.2
85.02897	5.7
85.06530	2.0
86.01376	1.1
87.04496	1.8
89.06034	4.7
91.03930	2.5
91.05475	10.1
93.07042	14.3
95.04955	4.3
95.08597	3.1
97.02887	3.9
97.06510	2.8
103.07552	3.6
105.07016	3.1
107.01341	3.6
107.04922	2.2
107.08591	6.5
109.02880	1.7
109.10107	2.0
117.06971	3.2
119.04945	7.6
119.08571	3.3
121.02866	35.9
121.03787	1.9
121.10162	2.9
127.01519	3.1
127.03889	2.0
131.04897	2.2
131.08481	1.4
135.11678	4.1
141.05345	1.4
141.06973	1.3
145.02815	6.8
145.06494	1.5
145.10139	2.7
147.04384	3.7
147.08028	2.1
147.10168	1.2
149.02354	3.7
151.03862	3.1
153.03053	1.9
159.04414	2.0
163.03894	7.4
163.11131	2.6
165.05486	1.9
167.03412	4.0
169.05092	2.2
169.06485	5.6
175.03883	1.6
177.05420	1.9
189.05435	1.9
197.05960	16.5
217.04884	1.5
225.05461	2.6
227.06982	3.8
229.04953	3.9
239.06987	6.5
241.04988	5.0
241.08562	1.9
243.06444	2.4
251.06981	2.2
253.04961	5.5
253.08612	3.1
255.06506	21.4
257.04443	3.4
257.07971	1.4
263.58359	1.3
265.04733	2.0
265.08643	5.6
267.06509	59.3
268.07007	3.4
269.08084	7.8
271.06079	8.0
277.08536	9.9
279.06595	1.4
279.10175	3.5
281.08130	7.1
281.10895	1.5
282.08563	1.7
283.06064	2.6
283.09616	1.5
286.04596	3.7
289.08401	3.3
291.10086	2.7
293.08182	6.6
295.06342	1.8
295.09598	8.4
301.07010	6.0
305.08047	5.0
307.09518	2.3
317.07892	2.5
321.11288	1.5
349.18048	1.5
359.16287	2.9
360.01447	2.6
361.17996	2.4
373.99316	2.1
375.03708	4.9
377.17587	7.8
378.02145	1.5
387.15979	11.6
389.17615	3.9
393.05051	2.2
395.18634	3.3
405.16956	25.9
406.17111	1.7
415.15323	3.0
419.18451	4.2
421.20111	1.7
423.18155	16.8
433.16486	15.4
434.17078	1.8
437.19818	7.7
451.17532	60.6
452.17834	3.5
454.99802	2.5
465.19083	66.4
466.19189	5.2
469.18411	6.9
483.19955	5.1
487.95963	1.3
497.21811	1.5
507.20020	5.1
525.21179	91.9
526.21436	5.8
539.15356	1.9
539.22754	26.5
540.23029	1.9
543.22272	22.0
544.22504	1.8
557.23816	100.0
558.24054	6.4
687.25824	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	738.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05510	1.9
57.07064	1.3
61.01150	0.8
64.10851	0.5
65.03920	0.8
66.15982	0.5
67.05499	7.1
69.03424	100.0
69.07068	1.1
69.77212	1.7
69.77588	0.8
70.06584	0.7
70.78981	0.6
71.04971	0.5
79.05506	1.5
81.07043	1.6
83.04974	3.5
85.02895	1.9
89.00580	0.7
90.96432	0.5
91.05485	2.1
93.07054	1.9
95.04975	1.1
95.08600	2.7
97.02909	0.7
97.06530	0.6
103.05464	0.6
105.07040	2.1
107.08580	1.5
109.06508	0.7
109.10123	0.6
111.08080	0.6
113.05997	95.8
114.06335	1.8
117.07008	1.8
119.08562	3.1
119.96789	0.5
121.06467	0.7
121.10116	0.6
127.03922	0.7
128.06256	0.7
129.07002	1.2
129.96117	0.6
130.04967	0.6
131.04924	0.9
131.08571	4.7
132.99553	0.8
133.10086	1.6
143.08546	2.2
145.02798	0.5
145.10115	6.2
147.11647	0.9
151.03867	1.0
155.08507	1.5
156.09270	1.0
157.10135	3.7
159.11661	4.2
161.13239	0.6
167.08659	0.6
167.10625	0.6
169.10126	2.2
170.06081	0.6
170.10789	1.1
171.11703	2.3
173.13249	2.4
177.05396	0.6
181.10100	1.5
183.11639	2.6
185.13203	3.2
187.11205	0.9
187.14806	31.0
188.97911	1.1
189.16397	0.6
193.10068	0.8
195.11687	1.3
196.12389	1.5
197.13200	2.5
199.14857	0.6
207.11650	1.7
209.13242	1.7
211.14781	5.7
213.16335	0.9
219.11696	1.0
221.13242	1.1
223.14775	0.8
225.16394	0.7
229.15834	1.7
230.40102	0.6
235.14842	0.9
237.16342	2.3
239.14276	0.6
239.17903	0.9
243.13753	0.8
248.15692	1.0
253.15947	0.7
253.19493	0.6
255.17262	1.0
263.17892	2.0
271.16995	1.2
281.18973	5.0
287.05524	3.2
293.04184	10.0
299.20020	49.1
300.20264	2.0
307.13483	1.1
309.15149	5.7
317.20993	1.3
329.17065	0.6
333.14948	0.8
357.07150	0.6
359.21552	0.7
390.05695	0.5
403.19510	2.8
421.20401	31.8
422.20529	2.2
439.21155	0.6
469.10574	1.3
481.22498	8.0
482.23322	0.7
499.23273	1.1
562.28644	0.7
738.30957	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	738.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.2
71.05001	0.2
71.43240	0.2
73.02924	0.5
73.06544	1.4
81.03420	0.2
87.04463	100.0
88.04792	0.6
89.06025	24.4
90.06352	0.2
107.07060	0.7
109.84720	0.2
113.05994	0.2
114.85689	0.2
117.09134	1.3
119.04929	0.2
119.08607	0.2
121.64132	0.2
131.06094	0.3
131.07033	4.1
133.08594	13.3
134.08928	0.3
147.04361	0.4
151.03870	0.7
153.03131	0.3
160.52127	0.2
161.11679	0.3
175.09659	1.1
177.09804	0.3
177.11221	4.2
179.12787	0.2
207.06477	0.2
219.12280	3.8
219.35184	0.2
221.13702	0.7
225.07434	0.7
263.14792	0.4
283.17361	0.4
287.05493	6.0
307.17474	0.2
309.19040	0.2
325.18466	0.2
336.52939	0.2
379.13687	1.0
380.13419	0.6
381.12961	0.2
397.22867	0.2
491.11389	0.4
535.10382	0.3
537.44714	0.2
657.08228	0.2
721.40912	0.4
738.43091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03345	0.1
66.92229	0.1
66.98792	0.1
68.99810	0.2
72.08144	0.1
81.03441	0.1
111.00780	0.1
121.02827	0.2
129.06969	0.1
137.02341	1.5
137.03387	0.2
139.05470	0.1
143.04892	0.2
145.06519	0.1
149.02344	0.4
157.06448	0.2
161.05904	0.2
165.01840	0.2
175.03915	0.1
185.05977	0.4
189.05505	0.2
199.03941	0.1
213.05440	1.6
216.04221	0.2
217.04924	0.1
231.06538	0.5
241.04939	0.7
242.05695	0.2
259.05994	0.2
269.04474	0.3
270.04947	0.1
287.05472	100.0
288.05820	3.1
332.06241	0.1
335.47791	0.1
382.32834	0.1
491.11795	9.4
492.12296	0.4
535.10803	10.0
536.10968	0.4
557.10938	0.1
739.16998	2.0
740.16473	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	739.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06472	0.1
64.08492	0.2
65.03925	0.1
67.05493	0.3
68.31922	0.1
68.99784	0.3
69.03066	0.2
69.03427	3.7
69.76099	0.5
70.03726	0.2
81.03416	0.3
83.04985	0.2
85.02888	0.3
87.00806	0.2
90.24496	0.1
91.05466	0.2
93.07010	0.2
97.02883	0.3
107.04946	0.9
109.02861	0.3
111.00851	0.2
111.52929	0.1
113.06004	2.9
114.06367	0.4
117.06998	0.2
121.02898	0.2
124.03861	0.1
127.03913	0.2
129.06999	0.2
137.02364	1.4
145.10176	0.2
147.04407	0.2
149.02344	0.3
154.30641	0.1
157.06548	0.2
157.10193	0.2
159.11809	0.2
161.05978	0.3
165.08974	0.2
185.05968	0.5
187.14821	0.6
189.05467	0.3
193.05005	0.2
199.03741	0.2
203.07214	0.2
207.06476	0.2
213.05472	1.3
216.04375	0.2
231.06505	0.6
241.04933	0.7
257.78189	0.1
259.06110	0.4
269.04413	0.2
282.19089	0.2
287.05484	100.0
288.05795	3.1
299.20117	0.9
300.20313	0.6
337.70386	0.1
415.20203	0.2
421.20297	0.6
422.20767	0.3
482.22998	0.2
491.11835	8.2
492.12378	0.7
535.10834	9.3
536.11102	0.6
739.17120	1.7
739.79285	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	740.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.4
57.03442	2.0
61.02916	0.7
65.03950	0.6
67.05511	2.3
69.03431	0.5
69.95676	1.2
70.06587	0.7
71.01363	0.5
77.99988	0.4
83.04981	44.6
84.05319	0.4
85.02903	100.0
86.03232	1.1
87.04488	1.0
97.02888	0.9
111.04442	26.0
112.04871	0.5
125.07623	0.4
127.03904	5.1
129.05479	13.3
131.04919	0.9
135.04417	1.1
139.71066	0.4
145.02835	1.5
153.05469	0.4
163.03902	17.5
171.06523	94.2
172.06825	1.7
231.08630	11.7
325.09119	3.3
351.39651	0.5
433.49075	0.4
456.17068	0.5
461.81076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	0.8
69.03429	0.6
69.90331	1.0
70.06596	0.8
73.02918	1.8
73.06544	2.6
73.79692	0.3
75.42977	0.3
84.17874	0.3
87.04460	17.6
89.06023	100.0
90.06355	0.7
91.07602	0.7
95.04918	0.3
97.66692	0.3
98.23365	0.3
107.06418	0.4
107.07072	2.3
113.05990	0.9
115.07578	0.5
117.09116	2.3
120.17114	0.3
126.57527	0.3
130.08606	0.4
131.07030	5.0
133.08591	61.5
134.08937	0.9
135.03914	0.3
135.10167	0.5
136.06149	0.3
161.11722	0.6
164.64268	0.3
175.09648	4.2
177.11205	21.4
178.11450	0.5
179.12657	0.4
217.82027	0.3
219.12244	0.9
221.13785	3.8
223.15332	0.6
239.14851	0.5
240.29097	0.3
265.16278	0.7
267.17932	0.4
269.63055	0.3
283.17484	0.7
287.05557	3.4
288.05753	2.8
309.19110	0.9
353.21564	0.5
381.75131	0.5
536.10553	0.4
547.33148	0.4
586.98981	0.3
723.43555	2.0
740.45325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01869	0.4
57.03426	0.4
58.08683	0.3
60.64439	0.3
61.02918	0.4
61.91322	0.2
63.02364	1.0
68.99782	0.4
69.03428	0.8
69.30923	0.6
69.31324	1.2
73.02911	0.3
77.03927	0.6
79.05469	1.9
81.03397	0.6
85.02901	1.0
89.03911	13.1
91.05481	0.5
93.03346	0.3
95.04970	1.4
97.02895	0.5
98.22726	0.6
103.03919	0.5
103.05455	0.8
105.03391	6.4
105.04493	0.5
107.04951	3.7
109.02898	0.4
115.05479	0.4
117.03373	13.8
123.04383	0.5
127.03976	0.4
129.03363	0.3
131.04929	1.0
135.04407	25.4
136.04727	0.5
145.02846	17.8
146.03157	0.4
147.04398	0.8
159.04466	1.4
161.05975	0.4
163.03894	100.0
164.04219	3.3
173.02422	0.4
173.05959	0.3
175.03897	0.5
177.01828	0.4
177.05414	0.6
179.03377	0.6
181.04913	0.8
187.03909	5.4
189.01831	1.1
191.03403	2.7
195.02853	0.3
201.05615	0.4
203.03362	1.1
205.04979	1.1
207.02924	1.0
209.04306	0.6
213.05489	0.3
215.03284	0.4
219.02882	0.9
221.04465	0.4
225.05412	0.4
229.05003	0.4
235.07431	0.5
251.07050	0.7
252.07713	1.1
263.06985	1.0
264.07761	0.5
265.08548	2.4
267.06497	3.0
268.07257	1.4
275.06900	0.7
277.08615	0.5
278.05765	6.3
279.06500	11.5
279.09659	0.6
280.07245	1.9
281.08118	1.8
291.06506	15.3
292.07245	5.2
293.04642	0.5
293.08029	9.3
294.08334	0.4
295.06030	0.6
297.07535	9.3
298.07809	0.4
301.08374	0.3
303.06525	3.1
303.09732	0.5
304.07257	1.2
305.04694	0.4
305.08038	5.1
306.08740	1.3
307.06097	0.5
307.09476	1.2
309.07532	15.2
315.06384	0.4
317.08002	2.1
318.08875	0.4
319.05948	0.7
319.09616	1.4
320.06662	0.8
321.07550	31.7
322.07895	1.6
323.05582	0.6
323.09210	0.8
325.09207	5.6
329.08054	0.6
331.09619	2.6
333.03867	0.4
333.07538	5.4
333.11127	0.4
334.08084	0.5
335.05423	0.5
335.09134	4.1
336.09448	0.3
339.08603	7.4
340.08871	0.3
345.07510	2.8
346.08289	0.6
347.09042	0.9
349.06906	0.4
349.10727	1.2
351.08630	1.6
357.07501	0.7
359.09058	2.8
361.06863	0.4
363.08575	8.9
364.08752	0.5
373.10907	0.4
375.08582	5.0
376.08957	0.4
377.10147	0.5
381.09662	1.2
387.08545	3.9
391.10074	0.4
393.09659	3.5
394.09705	0.4
395.09415	0.5
399.10855	3.6
401.10016	0.5
405.09744	5.5
407.08817	0.4
409.10837	0.7
411.10657	1.6
413.11838	1.0
417.11884	4.0
423.10822	5.1
424.11301	0.3
425.10239	0.7
426.10370	0.3
429.09860	0.6
437.10010	1.7
441.11804	21.2
442.12320	1.6
447.10400	0.9
453.09656	1.0
455.11249	2.8
459.12878	10.8
460.13107	0.6
465.10837	4.2
466.10013	0.5
469.09085	0.7
471.10611	0.5
477.11932	0.4
479.11243	0.5
483.10928	5.4
484.10992	0.3
489.11746	0.4
495.12823	1.6
501.11826	7.7
502.12155	0.6
507.12540	2.8
513.13226	0.6
525.13678	2.7
537.11371	0.4
543.14880	2.3
549.11987	1.3
555.12732	0.4
561.16095	2.8
567.12970	1.5
579.16943	1.0
585.13873	4.1
586.13898	0.4
603.14996	6.6
604.14838	0.4
621.16016	11.3
622.16095	0.7
687.17224	0.4
705.17535	0.9
723.18927	1.1
741.19281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
63.02378	0.9
66.37864	0.3
69.03429	2.4
70.60053	0.3
71.09885	0.4
79.05476	1.2
81.03404	0.4
81.88481	0.3
85.02940	0.3
89.03914	10.5
91.05477	0.3
95.04963	1.0
97.02956	0.5
101.62846	0.3
103.05441	0.4
105.03389	4.6
105.04504	0.5
107.04955	2.6
109.02841	0.4
117.03376	12.3
123.04460	0.3
127.03903	0.7
129.03398	0.7
131.04959	0.4
133.43407	0.3
135.04413	22.1
137.02348	0.4
143.04881	0.3
145.02847	17.3
146.03194	0.3
147.04364	0.5
151.03893	0.6
159.04437	0.5
159.92209	0.3
161.02306	0.4
161.05962	0.5
163.03896	100.0
164.04242	2.1
165.01851	0.3
170.05000	0.3
173.02260	0.6
175.03839	0.3
177.01790	0.6
181.05014	0.4
187.03856	1.3
189.01756	1.8
191.03429	1.7
195.02931	0.7
201.01927	0.4
201.05411	0.3
203.03423	0.8
205.04889	0.7
207.02919	1.5
215.03339	0.5
219.02815	0.6
229.04913	0.6
239.03448	0.4
243.02635	0.3
251.07111	0.9
252.07721	0.7
263.06961	0.7
264.07834	0.6
265.08582	2.0
267.06519	4.8
268.07349	0.8
275.07028	0.4
277.08371	0.5
278.05756	4.8
279.06506	10.6
279.09677	0.5
280.07144	1.7
281.08130	1.4
288.07968	0.4
289.08606	0.4
291.06500	11.4
292.07245	4.3
293.08035	3.7
297.07526	7.3
303.06506	2.1
303.09830	0.6
304.07144	0.7
305.04688	0.5
305.08038	3.3
306.08835	1.9
307.09164	0.8
309.07547	14.4
310.07837	0.7
316.07382	0.3
317.08124	2.1
318.08801	0.4
319.06287	0.3
319.09637	1.1
321.07556	17.0
322.07898	0.9
323.09204	0.5
325.09174	9.6
326.09494	0.7
330.08862	0.4
331.09561	2.1
333.07465	3.8
333.11069	0.4
335.09088	4.0
336.09436	0.4
339.08594	3.4
345.07602	2.8
347.09091	1.0
349.10767	0.7
351.08536	1.6
357.07574	0.9
359.09119	1.5
361.07086	0.4
363.08643	10.0
363.13287	0.5
364.08936	0.5
369.07397	1.3
375.08533	3.2
377.10129	0.4
381.09467	0.7
387.08685	4.6
393.09683	1.3
399.10376	1.0
405.09723	2.9
411.10425	0.7
423.10568	1.9
425.10181	0.9
441.11771	3.1
442.12598	0.4
453.09378	0.6
459.12640	0.7
465.11987	1.6
471.10760	4.9
472.11450	0.3
483.10681	2.7
489.11676	0.4
501.11761	7.4
502.11896	0.5
507.12180	0.9
525.11810	7.5
526.11853	0.5
537.11597	0.6
543.14655	0.8
549.11987	1.4
555.12946	3.4
556.12689	0.4
561.16010	0.7
567.12805	3.4
573.14716	0.3
585.13953	3.6
591.15033	4.3
603.14978	6.0
604.15112	0.5
621.15985	4.5
645.15979	4.1
657.15192	0.6
669.15527	0.6
675.16022	0.8
687.16760	0.8
693.15570	0.3
705.18329	2.3
723.18762	0.6
741.24622	0.9
763.91986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
57.03423	3.7
61.02920	17.9
62.53792	0.8
69.03426	5.6
71.01337	1.1
73.02915	8.3
79.57232	0.9
81.03394	3.4
85.02903	19.5
91.03956	6.8
95.04950	1.4
95.06011	0.9
97.02892	11.7
99.04504	1.0
101.02328	1.2
103.03930	3.1
103.05503	1.4
105.03394	17.2
109.02863	2.7
115.03872	1.2
121.02836	1.8
127.03920	2.5
129.03384	2.0
139.16838	0.9
145.02895	1.1
145.05063	1.4
147.04488	1.3
161.06047	1.2
163.03900	2.2
173.02242	1.6
177.01892	1.2
181.04913	1.5
187.03891	1.9
189.01855	3.6
191.03427	6.4
195.02902	3.5
197.06044	1.0
201.01852	1.6
203.03407	4.8
205.04945	1.9
207.02888	4.9
209.04440	1.0
215.03404	2.0
217.05026	2.0
219.02814	1.6
221.04633	1.2
227.03337	1.6
229.04965	3.1
231.02829	1.3
251.07057	3.2
252.07814	3.2
253.08374	1.1
255.02765	1.2
263.07019	4.1
264.07639	2.1
265.08572	6.1
267.06464	5.1
268.07269	1.8
275.07086	2.2
276.08035	0.9
277.08600	3.5
278.05722	23.5
279.06497	53.2
280.07248	9.0
281.08060	7.2
285.03943	1.5
287.05457	3.7
288.05835	3.2
289.05902	2.2
289.08694	1.5
291.06494	40.1
291.09851	2.2
292.07230	15.8
293.07971	12.8
297.07553	5.1
301.08484	1.3
303.06488	7.9
304.07297	3.8
305.08054	22.1
306.05563	1.6
306.08786	10.1
307.05972	2.7
307.09586	3.9
309.07538	81.9
310.07932	3.6
313.08475	2.0
317.07996	9.0
318.08493	1.5
319.06171	1.7
319.09607	8.1
320.06702	2.7
321.07553	73.0
322.07916	3.4
323.09100	2.0
329.07983	3.5
331.09628	9.2
333.07526	26.1
333.11215	0.9
334.08118	1.7
335.05374	1.3
335.09100	18.2
339.08618	28.0
340.08679	1.7
341.08154	2.3
345.07556	14.5
345.11285	1.3
347.08936	4.9
349.10770	7.6
351.08585	5.3
355.07947	1.6
357.07599	4.6
357.11258	1.3
359.09195	10.3
361.06891	1.5
363.08621	48.1
364.08762	1.8
369.07578	4.2
371.08893	1.6
373.10779	3.0
375.08612	22.3
376.08905	1.1
377.09891	1.2
385.10651	2.0
387.08569	22.8
388.08850	1.4
389.10342	1.2
393.09647	24.9
394.09827	1.3
399.09167	2.9
401.09937	2.6
405.09641	17.9
409.18265	1.3
411.10809	16.9
412.10883	1.2
417.09982	1.9
423.10742	19.9
424.10861	1.0
429.10455	3.7
435.47052	1.3
441.11801	100.0
442.11920	4.5
447.10602	3.3
459.12799	33.5
460.12778	1.7
465.05530	1.4
465.11795	20.2
466.12280	1.2
477.11636	3.0
483.12784	12.2
489.11801	3.0
495.12854	17.6
507.12741	15.9
513.13922	5.0
525.13971	18.6
526.13873	1.7
543.14850	16.2
544.15649	1.5
561.15942	29.3
562.16333	1.8
603.16119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.6
57.85490	0.8
61.02927	15.1
64.58058	0.7
69.03433	4.7
70.69587	1.5
73.02925	5.7
79.15306	0.7
81.03410	3.4
85.02906	15.7
91.03944	5.2
91.05473	0.9
95.04967	2.0
97.02895	8.9
99.04442	0.8
100.48288	0.9
103.03949	3.0
103.05435	0.8
105.03393	16.8
109.02869	2.7
115.03909	1.2
118.40416	0.9
127.03922	2.9
129.03368	2.7
131.04947	0.9
141.01865	0.8
161.02351	1.0
163.03909	0.9
172.76927	0.8
173.02298	1.4
174.63625	0.8
175.03882	1.2
177.01811	1.4
179.03348	1.3
185.05998	0.8
185.81757	0.9
187.03905	0.9
189.01836	3.7
191.03342	4.3
195.02913	1.9
201.01796	2.0
203.03391	5.1
207.02898	3.8
215.03523	1.0
217.04994	1.6
219.02913	1.7
221.04349	2.1
222.50754	0.8
227.03380	0.9
229.04964	2.8
233.04356	1.1
251.07100	2.3
252.07893	3.8
255.02811	1.1
257.04449	1.0
263.07031	3.0
264.07928	2.2
265.08560	6.6
267.06512	5.0
268.07306	1.4
275.06921	2.3
277.08508	1.7
278.05731	25.9
278.08936	1.0
279.06509	51.2
279.09662	2.2
280.07166	7.1
281.08087	8.0
285.03851	1.0
289.08798	1.6
291.06506	44.1
292.07263	15.9
293.08017	12.7
294.08643	1.0
297.07599	6.0
302.09158	1.0
303.06631	8.2
303.09863	0.9
304.07224	3.1
305.08044	23.3
306.08768	9.0
307.05975	2.1
307.09613	4.9
309.07559	80.3
310.07874	3.2
313.08701	1.1
317.08069	8.2
318.08707	1.6
319.06137	1.4
319.09528	8.5
320.06763	3.3
320.10281	1.5
321.07556	70.2
322.07858	2.8
329.07974	3.1
331.09683	11.8
333.07559	27.6
334.08197	1.7
335.05884	1.3
335.09113	24.1
336.09479	1.4
339.08597	28.2
340.08969	1.8
341.07935	1.3
345.07578	15.0
345.11359	1.9
347.09079	3.9
349.10645	9.1
351.08643	3.8
357.07666	5.3
358.08075	1.8
359.05106	1.4
359.09140	9.8
361.06940	1.6
363.08612	49.2
364.09015	1.7
369.07443	4.3
371.09000	1.2
373.10757	2.9
375.08633	24.1
377.10104	2.0
383.63541	0.9
385.10626	1.7
387.03763	1.7
387.08585	24.5
388.09222	0.9
389.10138	1.4
393.09656	25.7
394.09982	1.4
399.09174	1.4
401.10098	1.5
405.09647	17.8
411.10834	16.2
417.09866	1.9
423.05466	1.4
423.10754	19.6
424.10931	1.0
429.09689	4.8
441.11789	100.0
442.12155	4.0
447.10699	3.5
453.09497	1.4
459.12881	35.4
460.13016	1.4
465.11786	19.8
466.12039	1.1
471.11127	1.4
477.11667	1.6
483.12891	14.0
489.11490	3.4
495.12866	20.5
499.32050	1.0
507.12839	16.9
513.13910	7.1
525.13947	20.3
543.14972	23.5
544.15143	1.4
557.79205	1.0
561.16010	34.3
562.16333	1.4
579.16919	4.7
603.16589	1.3
705.19824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
60.49979	0.4
63.59425	0.4
63.76463	0.4
65.03931	5.3
67.05500	1.7
69.03423	1.8
69.20255	2.6
73.92594	0.4
77.30232	0.4
79.05500	0.5
81.03412	0.8
83.04971	1.2
85.02898	0.5
86.64031	0.4
87.00823	0.6
89.03910	0.5
91.05472	13.9
93.03393	4.1
95.04961	1.3
97.02885	75.3
98.03262	0.5
98.22724	0.8
103.05422	0.8
105.01803	0.5
105.07038	0.4
107.04974	0.5
109.02843	0.7
111.04427	1.0
115.05392	0.5
115.46837	0.4
119.04930	25.9
121.02850	2.0
121.06503	0.7
123.04413	1.1
125.02356	1.0
127.03883	0.9
128.06184	0.8
129.06976	0.5
131.04941	0.6
131.08524	1.4
132.02078	0.7
135.04416	0.5
139.03906	0.7
140.04662	1.7
141.06958	1.4
144.05676	1.6
145.06401	0.6
147.04402	22.9
149.02330	8.7
153.05479	0.6
154.06232	1.5
155.04927	0.6
155.07014	1.7
157.03960	2.8
157.06433	0.5
159.08067	2.8
164.04617	0.6
167.03384	37.4
167.07030	0.9
168.05724	0.6
169.06456	1.9
175.03891	43.4
176.04364	1.3
177.05379	0.5
179.07027	2.2
181.04927	3.3
187.07541	5.1
196.05115	0.4
197.05936	1.9
199.07518	0.5
207.06505	100.0
208.06812	2.2
214.06210	0.7
215.06975	2.2
217.08572	0.6
218.09370	0.9
219.06479	2.9
219.10063	3.7
225.05440	0.6
229.08553	4.2
230.05775	0.4
235.09726	0.4
243.06577	1.1
245.08047	0.6
245.24803	0.4
247.09621	3.4
257.08139	2.7
262.33881	0.4
275.06195	0.9
275.09113	15.9
284.35193	0.4
303.08591	5.4
321.09653	23.9
322.09900	1.0
339.10742	5.4
355.10147	0.7
368.73172	0.4
455.11801	1.1
587.16083	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	742.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01879	1.1
55.05518	3.0
55.68020	1.2
58.99599	1.4
67.05502	5.5
67.06674	1.0
68.05021	1.1
69.03425	9.9
70.02950	10.8
74.02427	1.3
76.02228	5.1
76.04014	6.1
79.05495	3.5
80.04993	2.3
81.03423	5.5
81.07043	6.6
82.69664	1.3
83.04978	8.0
83.06141	1.5
83.08615	1.3
84.04509	4.8
85.02891	1.4
85.30582	1.2
86.00660	1.6
86.09692	1.2
88.02221	5.6
88.04008	1.6
91.05479	6.4
93.07043	5.7
95.04990	3.4
95.08592	6.9
99.05596	3.3
105.07042	8.2
107.08589	5.2
109.06496	1.1
109.07658	1.4
109.10168	2.3
110.06024	1.5
111.04453	9.9
115.05492	1.6
116.01691	5.3
116.03455	2.1
117.07000	4.1
119.08562	8.9
121.10153	5.0
125.07220	1.2
126.03740	1.5
127.05084	1.2
128.06224	1.5
129.06973	2.5
130.05005	4.8
130.07764	2.9
131.08562	11.2
133.10110	6.4
135.11676	1.3
142.07767	1.5
143.02747	3.6
143.08559	7.8
144.09349	1.2
145.06073	50.5
145.10120	33.0
147.04446	2.0
147.08044	2.0
147.11714	2.9
155.08505	3.6
156.09283	2.2
157.10129	9.5
158.10890	2.6
159.11688	12.8
161.09616	1.4
161.13226	1.6
162.02237	4.3
163.03900	3.6
165.07047	2.0
165.09120	2.1
167.06978	1.4
167.08540	1.5
169.10132	3.7
170.10915	2.8
171.07813	1.5
171.11656	5.7
172.12465	5.5
173.13281	4.3
177.05498	4.3
179.04831	2.1
180.09285	1.6
181.10176	3.8
182.10938	2.5
183.10165	1.0
183.11726	4.9
185.09694	1.1
185.13246	9.1
187.14815	100.0
188.15105	2.9
189.03239	9.2
191.04993	1.6
191.07109	1.9
193.10107	2.9
193.88107	1.3
195.11731	4.5
196.12448	2.0
197.13280	5.0
199.07234	2.3
199.14822	3.8
201.16501	1.6
205.10164	1.3
205.15848	1.2
209.13274	3.4
211.14784	6.3
213.08780	1.6
219.11954	2.2
221.13559	1.4
231.04504	3.3
231.11858	1.7
235.14780	4.4
237.12830	1.6
253.15863	3.5
261.16394	1.8
263.12653	2.6
269.18896	1.6
274.10394	6.6
279.17453	6.6
288.06360	1.3
297.18472	25.8
298.18707	1.8
306.27997	1.5
308.09207	1.7
313.17902	5.2
315.19519	1.3
345.17014	1.3
355.17377	1.6
365.19022	3.2
372.19748	2.0
373.20151	6.5
389.86115	1.1
394.70358	1.4
434.19965	3.2
457.21445	7.5
475.22534	20.9
476.22034	1.4
494.21973	4.9
517.23694	5.2
535.24780	11.5
553.24585	1.8
568.24744	2.6
571.24200	1.6
586.26093	5.6
595.26703	3.1
604.26849	2.2
613.27399	1.4
620.29694	1.9
646.27612	9.0
649.27875	2.6
664.28882	2.3
706.29590	3.1
724.30341	1.9
742.28613	2.7
743.33252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01855	10.9
55.05507	25.3
57.03435	33.3
57.97523	2.8
61.02919	21.4
65.03922	6.5
67.05163	5.2
67.05499	75.7
69.03420	23.3
69.07062	59.0
70.06561	2.8
71.04999	32.5
73.02926	15.6
77.03890	3.7
79.05486	69.9
81.03413	30.3
81.07050	67.3
83.04972	19.5
83.08601	15.8
85.02905	35.4
85.06538	5.1
91.03939	13.1
91.05479	63.3
93.07040	68.7
95.04961	27.4
95.08595	34.5
97.02879	23.0
97.06525	77.9
97.10187	8.8
99.04445	5.4
99.08074	13.9
103.03935	3.2
105.04532	3.8
105.07011	43.0
107.04952	26.1
107.08581	34.5
109.02873	8.8
109.06499	21.6
109.10136	15.1
111.04394	4.0
111.08090	5.3
115.05434	3.3
115.07576	35.0
117.07006	29.7
119.04932	4.4
119.08566	34.7
121.06471	12.9
121.10156	23.0
123.08058	8.8
125.09630	3.2
127.03901	18.7
127.07558	6.5
128.06218	5.2
129.06985	15.3
131.07019	12.9
131.08542	34.5
133.06467	8.3
133.10112	33.7
135.08026	22.9
135.11685	15.5
137.09634	4.9
141.05408	2.7
141.06926	4.2
142.07803	5.5
143.08527	16.1
145.04909	7.0
145.06496	3.2
145.10135	24.3
147.04388	7.4
147.08084	17.1
147.11668	10.8
149.09592	7.5
149.13223	14.4
151.03917	30.1
151.11165	4.8
155.08505	4.5
157.10147	15.5
159.08063	6.1
159.11688	24.0
161.09612	13.4
163.06027	7.5
163.11224	9.9
169.04951	4.8
171.08133	3.3
171.11650	5.5
173.09546	8.5
173.13239	7.9
175.11200	6.4
175.30775	4.4
177.05400	4.0
177.12718	19.2
179.14108	3.1
185.09647	5.0
185.13234	6.6
187.11157	5.0
195.13776	8.0
197.09744	4.6
199.14795	7.6
201.07529	7.4
203.14386	4.1
205.12143	3.4
217.15829	27.4
233.15332	20.2
235.16873	4.1
237.16354	3.4
238.88947	3.8
245.18959	8.5
255.15668	8.4
267.16016	5.1
269.17468	100.0
273.18454	55.0
275.20023	4.3
291.19583	33.6
297.16891	8.4
307.18994	17.4
313.09183	5.2
325.20224	14.8
337.23947	4.9
347.22070	39.5
365.23199	89.1
366.23578	3.7
383.24261	47.1
399.00500	3.2
491.26047	6.9
509.27081	9.8
527.28394	8.6
743.24719	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	742.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.3
55.05507	19.5
57.03440	13.1
57.07068	1.3
59.04999	1.8
65.03928	1.6
66.58950	1.1
67.05504	22.8
69.03422	4.5
69.07063	6.7
69.27778	2.9
69.28188	2.6
70.06540	1.0
71.04997	5.5
73.02933	1.7
74.10876	1.0
79.05494	27.0
81.03417	56.5
81.07053	22.2
83.04971	6.1
83.08623	17.8
85.02894	3.0
85.06580	1.6
89.06020	3.3
91.05485	17.2
93.07045	20.4
94.07353	1.0
95.04964	25.4
95.08600	10.9
95.35962	1.1
97.02874	2.7
97.06530	5.0
97.10161	17.4
99.04465	1.9
105.07029	13.9
107.04951	19.8
107.08591	13.1
109.02870	2.5
109.06523	18.4
109.10127	5.5
111.04462	2.3
111.08083	5.1
115.05481	2.5
117.07016	6.2
119.04939	2.4
119.08589	11.4
121.02841	1.7
121.04532	1.2
121.06496	13.4
121.10132	11.9
123.04442	2.8
123.08052	5.6
125.06016	1.7
125.09634	14.3
127.01591	1.6
129.07001	8.3
131.04907	1.8
131.08559	14.8
133.06514	5.3
133.08594	1.4
133.10098	7.3
135.08040	8.2
135.11687	2.6
137.09612	2.0
139.11160	3.1
141.06960	2.0
142.07718	1.9
143.08528	2.8
145.06482	6.5
145.10109	5.2
147.04410	1.8
147.08044	4.2
147.11676	7.7
149.09613	6.1
153.03085	2.8
153.09087	3.7
155.08562	1.9
157.10149	7.0
159.08093	2.4
161.05916	1.3
161.09627	1.4
163.11189	3.8
165.12733	2.1
167.07068	1.5
167.08496	1.5
167.10703	1.5
169.10143	1.6
171.08046	1.5
171.11668	2.6
173.09612	1.8
173.13258	3.3
175.09895	1.2
175.11122	7.2
181.10117	1.5
185.09608	1.7
185.11774	1.3
185.13286	1.8
187.11238	1.5
187.14731	1.5
189.11192	5.8
191.14299	5.0
193.12238	15.5
197.13214	1.8
199.11293	1.9
199.13052	1.1
201.12685	2.2
203.14264	1.5
205.12291	1.4
207.78929	1.1
211.13251	2.1
215.14377	2.7
217.12294	2.2
219.13817	12.3
223.13269	2.0
225.12852	1.8
227.12650	2.0
229.14119	1.0
231.13768	1.8
233.15317	3.4
245.34242	1.1
249.14792	1.3
255.13921	1.7
257.04483	1.7
259.13104	1.6
259.15469	8.7
267.15906	42.1
268.16159	1.6
273.14740	5.9
275.16327	1.4
285.03958	1.9
293.17468	7.7
321.47409	1.1
339.23303	2.4
349.21539	3.8
357.24185	2.6
367.22675	17.0
385.23700	24.9
403.24930	10.1
433.25775	1.8
441.26257	9.1
451.26987	4.1
459.27402	98.1
460.27866	7.4
477.28479	100.0
478.28629	6.2
491.30136	8.4
495.29294	8.8
501.28296	2.6
509.31244	2.7
567.29022	2.1
585.30750	1.7
742.32391	1.2
743.24011	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	742.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01891	0.7
55.05513	3.7
57.03423	1.1
57.07072	35.1
59.04998	7.9
65.03924	0.9
65.85812	0.5
65.98303	0.6
67.05496	4.2
69.03428	1.5
69.07064	5.7
71.04979	2.1
71.08627	63.9
72.08969	0.8
73.02917	6.2
73.06547	5.1
77.03930	1.2
77.12042	0.6
78.79836	0.5
78.99497	3.5
79.05489	6.1
81.03416	3.9
81.07068	4.4
83.04987	1.2
83.08615	2.8
85.02907	1.6
85.10176	35.8
86.43365	0.6
87.04462	32.1
88.04809	0.9
89.06024	36.6
90.04696	1.1
90.06340	1.0
91.05473	27.2
93.07044	11.8
95.04955	7.0
95.08584	3.4
97.06548	0.7
103.05447	5.6
103.07585	6.3
104.06255	2.0
105.04513	1.5
105.07023	33.7
106.07337	3.5
107.04938	6.3
107.07048	0.7
107.08583	7.1
109.06487	1.7
109.10143	2.2
111.08085	0.9
113.00008	11.3
113.05999	1.4
115.05471	1.0
115.07597	1.9
117.07031	4.3
117.09133	0.9
118.07793	3.6
119.04937	4.7
119.08569	9.1
121.06496	30.4
121.10146	3.7
122.06828	0.7
123.08075	1.8
123.11684	0.7
125.00024	1.0
127.01557	82.8
127.14819	2.4
129.06960	2.0
131.07033	14.2
131.08528	4.5
133.06512	0.7
133.08598	21.0
133.10153	1.8
135.08035	9.7
135.11621	3.9
136.05151	0.8
139.01543	33.7
145.08902	0.5
145.10083	3.3
147.08040	14.5
147.10065	2.8
147.11739	1.3
149.09605	9.1
149.13269	1.5
150.06755	1.8
153.03102	100.0
159.10239	1.1
159.11671	1.4
161.09677	1.4
161.13219	1.0
163.07571	1.2
163.11166	6.8
165.09108	10.1
167.10648	2.3
173.09622	1.6
175.09633	6.9
175.11195	2.0
177.11201	5.9
177.12755	1.6
183.04176	11.7
187.89670	0.5
191.10617	4.5
191.14287	0.8
193.10739	0.7
193.12270	5.6
197.05722	40.5
198.06082	0.7
207.09970	0.8
207.13702	1.2
209.11725	4.3
211.13277	7.1
215.06837	1.4
217.12300	1.0
219.12239	2.0
227.06688	5.7
235.13197	2.8
241.05983	1.1
241.08331	13.8
247.20564	30.6
248.20978	1.1
255.15965	3.2
259.09363	3.4
261.22116	1.3
267.15933	0.9
271.09406	5.5
271.20477	0.6
273.22125	5.6
279.15897	2.1
285.10913	5.1
285.16879	2.6
289.21860	1.0
289.25137	2.7
291.23151	41.8
292.23428	1.8
299.18546	2.1
303.11890	3.3
315.11853	3.7
317.24722	3.4
329.13431	2.3
333.24261	0.9
335.25784	11.3
341.20087	0.6
347.14523	2.4
359.14413	1.7
391.17053	2.3
403.17026	0.9
435.19751	1.5
545.38434	6.1
580.32800	0.7
599.27521	1.9
605.65088	0.7
688.21838	0.7
725.42236	10.4
726.41266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01862	2.3
55.05510	15.2
56.05023	7.7
57.03426	11.8
57.07056	1.4
59.04997	1.6
61.02924	8.9
65.03963	1.7
67.05503	47.8
68.05024	3.5
69.03430	7.7
69.07062	14.0
70.02947	3.6
70.06578	8.1
70.91423	1.4
71.05012	3.5
72.04520	10.0
73.02921	4.2
79.05490	37.3
80.05022	7.2
81.03413	53.5
81.07054	54.9
82.06590	3.6
83.04974	8.2
83.08613	14.8
84.04494	1.9
85.02901	9.0
86.06076	2.0
86.09705	1.4
87.04485	7.6
89.06026	11.8
91.03954	3.4
91.05473	36.7
93.07038	40.2
94.06581	1.7
95.04970	22.0
95.08599	35.9
95.09206	1.8
96.04491	5.4
96.08102	2.6
97.02886	8.7
97.06533	3.1
97.10163	3.4
98.06043	3.2
99.08067	2.0
105.04500	1.9
105.07027	35.4
107.04915	3.2
107.08590	19.9
109.06507	2.9
109.10162	15.8
111.08086	5.3
117.07018	4.8
119.08578	17.9
121.06472	1.7
121.10133	19.3
123.08034	3.4
123.11716	6.5
125.00037	2.0
125.09614	3.0
127.01611	2.5
129.06999	6.4
131.08571	14.4
133.08609	5.0
133.10106	13.7
135.11662	8.7
137.09599	2.1
138.12761	6.9
143.08575	2.1
144.06554	4.5
145.10130	4.8
147.08102	3.0
147.11670	10.3
148.11220	5.5
149.09583	9.9
149.13283	5.0
153.03082	4.1
157.10141	6.3
159.11674	5.8
161.13252	3.5
162.07690	1.9
163.14815	2.4
166.12256	13.5
167.10667	2.9
171.11713	1.9
173.13260	3.8
175.11197	8.3
175.14815	2.2
177.11166	1.9
180.08723	3.6
182.15401	30.8
182.16919	2.8
184.07358	5.0
184.13321	13.9
187.14847	2.4
192.13870	3.8
193.12212	21.5
210.14879	60.6
211.13258	2.4
222.15059	2.3
227.12708	2.4
228.15961	5.3
240.15887	3.8
243.21135	4.0
249.14879	3.1
258.16968	4.2
261.22073	14.5
267.15897	100.0
279.23596	1.6
284.18555	9.8
302.19687	6.2
313.35144	1.7
313.57339	1.6
335.25781	76.0
336.25925	3.6
435.32401	3.2
444.99561	1.6
515.08667	1.8
518.38318	8.8
527.37280	36.7
528.37366	1.9
536.39612	8.9
544.39514	7.3
545.38263	20.2
562.41022	60.2
563.41321	4.4
578.41229	1.8
580.41791	5.3
604.42834	1.9
614.98950	1.7
680.43707	2.1
706.45544	2.7
724.46179	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49459	1.0
53.03954	2.8
55.01869	2.7
55.05506	17.2
57.03431	10.8
57.07056	1.5
59.88478	0.9
61.02924	2.8
65.03938	2.3
67.05499	38.4
68.05852	1.0
69.03416	3.8
69.07062	9.1
71.04176	1.0
71.04977	3.1
73.02919	1.2
79.05486	28.7
79.86960	0.9
81.03413	49.7
81.07053	36.2
83.04980	11.5
83.08614	15.6
85.02901	15.1
85.06533	1.1
86.09721	2.2
87.04462	2.4
89.06016	3.2
91.05474	25.2
91.06048	1.3
91.45371	1.2
93.06445	1.7
93.07038	26.1
94.07394	1.4
95.04959	23.0
95.08018	1.9
95.08598	24.5
97.02887	3.1
97.06517	4.2
97.10140	3.4
105.04507	2.1
105.07022	28.7
107.04946	3.3
107.08582	13.7
109.06502	3.0
109.10156	8.6
111.04440	1.9
111.08074	5.8
113.06004	2.0
117.07000	1.9
119.08571	16.2
121.06496	1.8
121.10160	12.2
123.08131	1.4
123.11675	3.6
125.09688	1.3
127.01607	1.2
129.07001	6.1
131.08574	12.5
133.06474	2.6
133.10103	8.5
135.11688	6.7
137.09570	1.7
142.07736	1.5
145.10115	5.1
147.08055	1.9
147.11665	10.1
149.09602	4.1
149.13280	2.2
153.03087	1.3
157.10133	8.2
159.11647	2.5
161.13223	2.3
163.11157	1.9
165.12779	1.9
173.13206	1.1
175.11180	8.5
184.07333	6.6
193.12234	29.3
211.13271	48.2
212.13602	1.2
227.12764	1.7
228.13037	1.2
243.21104	1.3
261.22006	4.9
265.53198	1.1
267.15952	7.1
284.15845	1.5
285.16940	43.1
286.17444	1.5
314.46393	1.1
335.25775	52.1
336.26111	3.0
354.84085	1.0
391.01306	1.0
435.32962	1.3
527.37225	7.2
528.37793	1.7
544.36792	1.3
545.38312	100.0
546.38446	8.6
622.75891	1.2
633.60132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.01875	3.3
55.05509	23.1
57.03437	17.1
57.07059	6.7
57.18846	1.3
59.04993	6.4
61.02908	4.1
65.03934	3.6
67.05504	67.1
69.03423	6.8
69.07066	18.7
69.99571	4.6
71.04974	6.9
71.08634	4.1
73.02908	6.1
73.06540	2.5
77.03886	1.6
79.05489	59.6
81.03414	70.5
81.07053	74.4
83.04980	19.7
83.08615	28.1
85.02902	28.8
85.06535	3.2
87.04474	17.1
88.04803	2.2
89.06038	19.0
91.03926	1.8
91.05473	52.6
93.07043	53.7
95.04964	35.7
95.08020	3.1
95.08607	46.9
97.02892	5.1
97.06515	5.9
97.10143	6.0
98.23441	1.8
99.08104	3.1
103.05442	4.0
103.07541	1.9
105.04517	4.5
105.07027	99.9
106.07359	9.1
107.04961	9.2
107.08582	22.9
109.06504	8.6
109.10153	18.6
111.04388	2.0
111.08099	9.8
113.06001	4.2
117.07002	5.4
117.09124	2.4
119.08570	27.3
121.06499	10.9
121.10144	24.9
123.08058	4.1
123.11728	8.7
125.09636	4.4
127.01539	6.1
129.07002	14.1
131.07089	2.2
131.08563	21.4
133.06480	3.5
133.08611	9.9
133.10124	20.3
135.11685	12.1
137.09598	3.4
139.01520	6.3
142.07756	1.8
145.10112	8.1
147.08038	9.8
147.11671	24.5
149.09625	8.9
149.13251	7.7
153.03113	9.4
157.10143	15.6
159.11705	4.8
161.13228	2.5
163.11215	2.0
163.14873	1.6
165.12744	4.6
171.58685	1.8
173.13289	4.0
175.11166	18.9
177.11205	4.2
183.04079	1.7
184.07301	4.8
187.14882	1.5
193.12233	54.2
195.11823	1.5
197.05792	2.2
211.13274	86.1
221.13785	2.1
225.12866	1.7
243.21074	2.8
247.20551	1.9
261.21988	9.7
267.15860	15.1
285.16940	84.3
286.17444	1.7
291.23276	3.3
317.24673	2.8
335.25784	77.9
336.26050	3.6
435.32355	3.2
471.34543	2.4
527.37378	12.0
545.38330	100.0
546.38678	7.9
597.27893	1.7
620.32373	1.7
743.42834	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
53.97846	1.1
55.01878	2.6
55.05507	23.1
55.86638	1.3
56.97208	1.1
57.03434	18.4
57.07064	2.5
59.04997	2.6
59.21815	1.1
59.65829	1.2
61.02914	4.7
65.03932	3.9
66.51141	1.1
66.60912	1.0
67.05498	64.0
69.03421	4.8
69.07065	15.9
70.24215	1.0
71.04970	4.3
73.02909	3.1
73.06554	1.3
79.05482	54.3
80.05827	1.5
81.03410	48.4
81.07046	60.7
83.04978	14.6
83.08614	23.1
85.02902	22.2
86.09711	4.2
87.04470	7.3
89.06010	9.4
91.03949	2.1
91.05475	39.8
93.06442	2.3
93.07034	43.6
95.04957	28.9
95.08597	39.4
96.55844	1.2
97.02882	4.8
97.06525	5.0
97.10155	4.3
98.23526	1.8
99.04402	1.3
99.08139	2.3
103.05421	2.3
105.04517	1.7
105.07017	62.6
106.07356	5.0
107.04942	5.9
107.08578	22.6
109.06471	6.0
109.10159	13.2
111.04442	1.8
111.08074	8.7
113.05990	1.9
115.05458	1.9
117.07009	5.8
119.08567	22.2
121.06499	3.1
121.10130	23.0
123.08064	2.7
123.11697	5.0
125.00005	1.4
125.09650	2.9
127.01530	1.4
129.07008	8.7
131.08560	19.0
133.06497	2.1
133.08603	4.9
133.10107	15.0
133.54118	1.0
135.08029	2.0
135.11691	9.7
137.09601	1.8
137.13245	1.3
142.07753	3.7
145.10104	6.0
147.07976	6.0
147.11662	16.9
149.09592	4.8
149.13248	3.7
157.10100	12.0
159.11681	4.1
161.13239	2.7
163.14781	2.1
165.12738	2.6
173.13315	4.0
175.11159	11.9
175.14758	2.2
177.11168	2.2
184.07294	8.9
185.13348	1.4
187.14772	1.8
193.12219	37.2
211.13257	48.6
212.13687	2.4
229.24101	1.4
233.22826	1.4
243.21083	3.7
251.14433	1.6
256.77673	1.0
261.22095	11.2
267.15894	11.6
275.66367	1.0
279.22986	1.5
281.86890	1.3
285.16943	53.3
317.24704	2.0
335.25751	85.9
336.26172	3.4
424.57721	1.5
435.32513	1.9
453.33090	1.4
527.37280	12.5
545.38300	100.0
546.38745	8.5
715.98541	1.4
743.43689	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	742.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01870	1.2
55.05505	15.2
57.03436	12.2
57.07068	4.7
59.04996	1.4
61.02914	2.5
65.03932	2.0
67.05499	38.8
68.05846	1.1
69.03427	2.9
69.07064	11.9
71.04985	2.4
71.08625	4.5
73.02912	1.3
73.06540	0.8
77.03928	1.1
79.05484	32.4
80.05822	0.7
81.03411	38.6
81.07050	39.2
82.07389	1.3
83.04975	7.6
83.08617	16.5
85.02895	14.2
85.03406	0.9
85.06516	0.9
85.10188	2.4
86.09686	1.2
87.04461	4.5
89.06026	8.2
90.06352	1.0
91.05473	26.9
93.06443	1.5
93.07040	31.7
94.07388	1.2
95.04964	19.9
95.08599	26.1
96.05290	0.8
97.02881	2.6
97.06533	3.3
97.10168	3.6
99.08101	1.4
103.05475	1.7
103.07616	1.0
105.04527	1.5
105.07021	30.5
105.07732	1.5
106.07370	1.9
107.04947	4.5
107.08585	17.5
109.06511	3.1
109.10153	9.5
111.04453	1.3
111.08073	6.5
113.00071	1.2
113.06017	1.6
115.05471	1.7
117.06982	3.5
119.08557	14.6
121.06499	5.8
121.10130	15.3
123.08073	2.1
123.11723	2.9
125.00031	1.0
125.09620	1.3
127.01552	8.2
129.06993	5.7
131.07027	1.9
131.08556	13.5
133.06512	2.1
133.08617	4.0
133.10124	10.0
135.08081	1.8
135.11667	8.4
137.09616	1.1
139.01549	3.0
142.07806	1.4
145.10071	4.2
147.08012	4.6
147.10483	1.0
147.11678	10.4
149.09607	6.7
149.13257	2.6
151.11198	0.9
153.03102	10.5
157.10114	8.4
159.11723	2.3
161.13240	1.5
163.11185	3.1
163.14774	1.4
165.09093	1.2
165.12796	1.7
173.13300	2.6
174.49792	0.7
175.09741	0.7
175.11183	9.2
175.14839	1.1
179.11835	0.8
183.04169	1.4
184.07362	4.1
187.14758	1.3
191.10687	0.9
191.19945	0.8
193.12221	26.4
197.05678	3.7
201.16576	0.9
211.13264	37.4
212.13596	1.0
217.51448	0.8
227.12762	2.8
228.13174	1.3
241.08411	2.0
243.20969	1.4
247.20596	1.7
261.22147	7.0
262.22476	0.9
267.15909	9.2
273.22098	1.0
283.15311	1.7
284.15659	1.7
285.16940	40.5
286.17282	1.5
291.23065	4.0
317.24783	1.9
335.25763	69.0
336.26062	5.3
337.26633	2.6
435.32535	1.2
453.33612	1.5
471.35080	1.0
527.37280	7.5
543.36505	1.0
544.37500	1.2
545.38293	100.0
546.38678	8.5
703.90625	0.9
725.41913	1.8
742.36774	1.2
742.87097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.1
57.03437	2.1
59.04996	1.5
60.06638	0.7
65.03952	1.0
65.18642	0.8
67.05501	10.5
69.03423	1.1
69.07075	2.9
69.67229	2.6
71.04985	0.9
73.02923	1.5
73.06529	1.1
75.49450	0.7
79.05481	9.3
80.05804	0.8
81.03407	6.2
81.07050	10.0
82.07423	1.1
83.04972	1.4
83.08633	3.1
85.02905	3.1
87.04482	2.6
89.06013	5.8
90.28763	0.7
91.05479	6.8
92.05816	1.2
93.07042	7.5
94.07419	1.1
95.04935	5.0
95.08601	7.4
97.02846	0.9
97.06542	1.2
97.10176	1.0
98.23380	1.4
103.05502	1.3
105.07022	25.9
106.07304	3.4
107.04976	1.2
107.08610	4.5
108.08961	1.0
109.10165	2.5
111.08054	1.6
117.07008	1.2
119.08604	3.0
121.06532	1.0
121.10143	4.9
122.10486	1.4
129.07007	1.2
131.08586	2.9
132.08939	0.9
133.08600	3.5
133.10124	2.0
135.11720	1.7
139.01607	0.8
145.10187	1.2
147.08061	1.2
147.11699	2.8
148.12025	0.9
149.09648	1.8
154.58258	0.9
157.10144	1.2
158.10529	0.8
166.27705	0.8
175.11249	1.3
177.11230	1.0
184.07339	2.2
193.12192	4.1
194.12665	0.9
211.13336	4.6
212.13716	1.8
221.13756	0.7
261.22226	1.9
267.15820	1.1
272.83044	0.7
285.16891	4.8
286.17343	3.1
287.14917	2.5
335.11099	0.8
335.25784	9.7
336.26108	6.3
345.64255	0.8
504.92325	0.8
512.62933	0.7
528.37939	1.6
545.38531	4.0
546.38727	13.2
738.20612	0.9
743.43304	100.0
744.43677	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	743.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49716	1.1
55.05514	1.5
59.04995	1.1
61.02919	4.4
61.29250	1.0
67.05508	6.0
67.07817	1.1
69.03421	2.3
69.33138	6.0
73.02910	3.4
79.05498	7.0
81.03412	2.4
81.07056	5.1
85.02902	5.2
87.04475	2.4
89.06027	1.8
91.03956	3.8
91.05494	5.1
93.07049	4.1
95.04964	2.6
95.07467	1.1
95.08627	3.6
97.02899	5.3
99.04434	1.4
101.02411	2.3
105.07018	20.4
107.08611	2.6
109.02902	1.1
109.10200	1.5
119.08557	1.8
121.10075	1.4
125.00050	1.1
127.03920	1.4
131.08536	1.7
147.11726	1.8
165.88000	1.1
173.01863	1.1
179.88133	1.2
243.08492	1.5
259.22482	1.1
313.71060	1.3
465.21176	3.8
519.29181	6.5
649.05646	1.4
736.69110	1.3
743.43311	100.0
744.43726	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	744.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.01867	0.2
59.52049	0.0
61.02585	0.0
67.75829	0.0
69.03439	0.0
69.49226	0.2
77.03919	0.5
79.05039	0.1
79.05489	1.2
81.03413	0.1
85.02907	0.1
85.06540	0.1
92.45333	0.0
95.04966	2.0
97.02888	0.1
105.04505	0.9
107.04946	100.0
107.20963	0.0
108.05276	1.3
127.03898	0.1
145.04910	0.0
145.08614	0.1
167.07164	0.1
189.06294	0.0
191.09166	0.1
213.09088	1.5
214.09367	0.0
281.45401	0.0
297.13303	0.1
632.37097	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.7
54.05230	3.3
55.01860	3.7
55.05498	9.3
55.89572	3.3
65.03912	3.3
67.05491	12.0
69.03429	23.6
69.54138	7.3
69.54517	8.2
72.33144	3.3
79.05470	8.2
81.03419	17.5
81.07049	10.6
83.04979	14.3
85.02909	19.6
85.03344	3.9
86.09616	3.3
87.00828	5.4
89.06012	4.6
91.05470	9.5
93.07033	12.4
95.04958	5.2
95.08616	18.6
97.02888	11.0
105.01860	6.6
105.07043	19.0
107.08586	14.6
109.02867	9.0
109.10172	5.1
111.04444	25.3
112.06071	3.3
117.06995	7.3
119.08577	26.9
120.08095	17.4
121.10142	14.5
127.03910	14.2
131.08557	12.2
133.10115	14.3
143.08539	8.5
145.10130	22.8
147.11693	9.3
149.09607	4.3
157.10149	12.3
159.02908	5.7
159.11705	18.2
161.13248	20.0
163.11113	7.8
163.14824	4.9
169.10170	5.3
170.10837	3.7
171.11722	6.3
175.14813	4.7
177.16374	12.2
181.10027	4.6
183.11690	4.8
185.13342	6.6
187.14813	100.0
189.16357	7.6
203.14362	7.4
205.15887	86.9
206.16496	3.6
209.13177	7.1
213.12814	4.5
215.14259	5.0
224.09825	3.3
251.17899	5.3
269.18903	4.3
279.17535	7.1
297.18433	20.9
315.19492	19.2
360.19116	7.2
375.21768	6.4
476.61044	3.8
530.29346	7.3
598.33386	4.4
690.33203	3.8
744.31976	12.1
745.34290	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.1
57.03429	6.2
59.05000	4.0
61.02904	2.8
65.03928	1.7
67.05496	75.8
68.84773	1.4
69.07059	9.6
69.23943	8.4
71.04985	13.1
73.02904	2.1
79.05486	32.5
81.03410	2.9
81.07048	31.4
83.04979	3.3
83.08603	6.6
85.02897	2.9
85.06541	1.8
86.09711	1.3
87.04450	4.7
89.06011	7.0
91.05472	21.6
92.02480	1.4
93.07035	33.1
95.04961	7.7
95.08595	25.7
95.09177	0.8
97.02850	2.3
97.06498	3.6
103.05452	5.1
105.04526	1.9
105.07019	87.9
106.07367	5.3
107.08579	17.9
107.48225	1.6
109.06454	2.1
109.10142	51.6
111.08086	3.2
113.00017	5.8
114.03776	3.4
117.07028	6.9
119.08583	12.2
121.10118	13.9
123.11692	3.1
124.99935	1.5
131.08540	7.4
133.08597	4.7
133.10112	3.9
135.11697	12.6
136.05067	1.7
137.09615	6.9
139.01541	17.8
145.10106	4.8
147.11662	2.9
155.10674	2.6
158.06389	3.0
159.11679	1.9
161.13240	2.2
163.11118	2.8
173.11728	5.6
173.13077	1.9
177.11148	1.9
180.07666	3.6
183.04242	3.5
184.07248	2.2
211.13225	1.7
218.59912	1.7
225.12700	1.7
255.15950	4.6
261.22046	4.0
267.15869	1.8
285.16931	2.9
287.18488	20.0
329.18863	2.7
335.25797	27.3
337.27231	4.1
397.30719	2.0
471.35236	3.1
489.35699	100.0
490.36105	5.8
503.37018	4.2
515.37341	11.5
516.37317	1.8
547.39856	79.7
548.40021	5.9
744.44635	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	745.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66992	0.2
55.01863	0.4
65.03938	1.0
66.53436	0.3
67.01881	0.3
67.05492	0.3
68.99794	0.3
69.03404	0.4
70.06571	0.7
76.60590	0.3
81.03437	1.5
81.71562	0.3
85.02901	1.0
86.09706	0.3
93.03380	0.4
95.04973	0.5
97.02888	1.2
97.39590	0.2
104.20149	0.3
108.02089	0.5
109.02866	0.8
111.04431	1.4
119.04927	1.2
121.02852	0.5
125.05920	0.8
127.03889	0.4
137.02295	0.3
137.05981	0.3
141.05463	0.8
145.02832	0.5
145.04910	0.3
151.03903	27.8
151.05005	2.8
153.01762	2.0
163.03917	0.3
167.07007	0.4
169.04918	2.4
170.17696	0.3
207.06531	0.7
219.65154	0.3
271.05981	100.0
272.06299	3.0
277.08322	0.4
295.08301	1.6
313.09122	0.9
316.15189	0.3
337.07010	0.4
379.08109	0.5
383.14713	0.4
429.58786	0.3
433.05563	0.6
433.11249	8.3
434.10608	0.3
457.11386	0.5
559.97485	0.3
636.05664	0.3
745.26062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
54.06512	0.2
55.01862	1.1
65.03941	2.4
67.05502	2.2
68.99805	0.3
69.03426	1.0
69.81934	0.5
69.82286	0.5
77.03931	0.6
80.02628	0.2
81.03403	0.4
85.02898	1.0
88.24583	0.2
89.30769	0.2
91.05485	0.9
93.03385	0.3
95.04975	2.2
96.04488	1.0
98.22782	0.3
100.27847	0.2
105.04544	0.5
105.07016	0.9
108.02100	3.8
109.02875	0.6
111.04441	1.0
119.04943	0.8
121.02856	4.5
121.03864	0.4
123.04405	0.8
127.03902	0.5
133.06499	0.3
135.04387	0.4
136.01573	0.5
141.05457	3.3
145.02829	0.6
151.03905	100.0
151.05006	11.1
152.04230	1.9
154.08577	0.3
154.69804	0.2
163.03903	0.7
169.04921	0.3
173.02345	0.4
181.04906	1.3
189.01831	1.0
191.03378	2.1
195.02820	0.3
201.01810	0.4
203.03403	0.8
205.04832	0.4
207.02925	1.1
209.04489	0.8
219.02834	1.2
229.04979	0.4
233.04552	0.3
251.07068	0.4
267.06558	0.6
268.07321	0.7
269.08179	0.2
279.06631	0.8
280.07227	0.6
281.07990	1.5
283.06052	0.8
291.06711	0.4
291.10062	0.3
292.07242	0.3
294.05219	3.1
295.05933	5.2
295.09012	0.4
296.06656	0.5
297.07526	0.9
301.10574	0.3
307.05991	10.1
308.06754	3.1
309.07541	6.7
310.07974	0.3
313.09384	5.4
319.06076	1.9
320.06879	0.3
321.07523	2.7
322.08264	0.6
323.05496	0.4
323.09094	0.5
325.07056	5.9
325.10614	0.4
333.07617	0.8
335.05667	0.3
335.09183	0.6
336.06326	0.4
336.09964	0.3
337.07037	23.3
338.07468	1.2
339.08630	0.6
345.07578	0.4
347.09106	1.8
349.07080	2.4
351.08572	1.7
355.08090	4.1
361.06989	2.2
363.08786	0.4
365.10162	0.5
367.08063	0.9
373.06937	0.5
375.08652	1.3
379.08069	4.1
387.08752	0.5
391.08084	2.5
393.10083	0.3
397.08951	0.3
403.08163	2.2
409.09149	1.2
415.08578	0.3
421.09146	3.8
427.10373	1.0
429.11899	1.3
433.10641	0.3
439.10245	5.0
440.10620	0.3
457.11282	24.1
458.11694	1.2
463.10156	0.8
469.09308	0.4
475.12387	3.7
481.11380	1.5
493.11310	0.4
499.12186	0.9
505.11252	2.6
511.12476	0.6
523.12225	1.3
541.13354	1.0
559.14252	1.6
577.15564	1.6
589.13080	0.4
607.14569	3.0
625.15472	6.3
691.15503	0.3
727.18280	0.8
745.19354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03165	0.3
53.03933	0.3
55.01852	0.4
57.01880	0.3
65.03940	2.1
67.05506	1.6
68.05408	0.3
69.03419	1.7
69.10774	2.2
81.03433	0.4
85.02892	0.5
93.03371	0.5
95.04977	1.2
97.02903	0.4
98.23500	0.7
101.40827	0.3
105.04488	0.4
108.02092	2.7
109.02879	0.6
111.04446	0.5
119.04916	0.6
121.02866	2.7
127.03922	0.9
127.99422	0.3
131.04976	0.3
136.01572	0.4
141.05484	2.8
145.02881	0.5
151.03905	100.0
151.04999	9.1
152.04224	2.2
163.03931	0.4
169.05002	0.6
176.01083	0.4
181.04941	0.4
189.01845	1.2
191.03374	0.9
203.03458	0.3
207.02910	1.1
217.04955	0.5
219.02870	0.9
229.04942	0.5
239.03220	0.4
257.04712	0.4
279.06543	0.5
281.08136	0.5
283.06039	1.3
285.04010	0.5
291.06641	0.5
293.08105	0.5
294.05249	2.8
295.05814	3.9
296.06808	0.6
297.07565	0.7
305.08035	0.4
307.05963	8.3
308.06796	2.3
309.07376	1.6
313.09375	8.0
319.06085	1.4
321.07513	1.3
322.08411	0.7
325.07047	8.3
333.07516	1.1
337.07056	10.1
338.07364	0.6
347.09140	1.2
349.07062	1.9
351.08585	1.7
355.08151	1.4
361.07059	1.6
365.10284	0.8
367.08365	0.4
373.07004	0.5
375.08743	0.9
379.08145	4.7
385.07059	0.9
391.08151	3.8
403.08054	3.1
421.09177	2.1
427.10010	0.4
439.10080	1.2
457.11307	1.4
463.09921	0.4
467.94513	0.4
475.10242	1.7
481.11066	0.8
481.27209	0.3
487.10321	2.0
505.11200	4.8
529.11267	5.2
541.12793	0.8
553.11218	0.5
559.12506	2.8
571.12531	2.5
577.14099	0.4
589.13452	3.4
595.14441	3.4
607.14496	7.4
625.15302	2.8
649.15540	3.0
673.14990	0.6
679.16351	1.0
691.16553	0.4
709.17462	1.5
727.18158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01867	0.3
57.03436	0.2
61.02908	0.2
64.72563	0.1
65.03934	0.9
67.05498	0.7
69.03422	1.0
69.31441	0.7
71.01384	0.2
73.02906	0.2
77.03929	0.3
81.03411	2.7
85.02901	1.5
85.72596	0.2
93.03403	0.7
93.09165	0.1
95.04972	0.6
97.02905	0.8
98.23478	0.3
99.04463	0.3
103.05479	1.0
105.03391	1.2
105.04521	0.3
108.02113	0.7
109.02879	1.3
110.03664	0.2
111.04452	0.9
113.02423	0.1
122.03675	0.2
123.00797	0.3
123.04412	0.1
125.05981	0.8
127.03905	0.5
129.03394	0.2
141.05489	1.1
141.07065	0.2
145.04912	0.2
148.01862	0.1
151.03902	53.8
151.04970	3.6
152.04205	1.0
169.01347	2.1
169.04967	3.5
173.05969	0.3
176.84872	0.1
184.00681	0.2
189.27414	0.1
193.39258	0.1
196.94154	0.1
197.06128	0.2
201.05524	0.2
215.07027	0.4
225.05490	0.4
245.46902	0.2
253.04889	0.4
270.05161	0.2
271.05984	100.0
272.06323	3.8
287.05457	0.2
295.08145	3.6
313.09280	3.0
317.76022	0.2
325.67505	0.2
337.07141	0.2
441.96600	0.1
442.62906	0.1
583.06085	0.2
583.14404	3.2
584.14697	0.4
610.89191	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	745.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.5
68.81882	0.4
69.03379	0.5
70.55027	0.7
70.55364	0.4
72.77712	0.4
87.04437	0.5
89.06001	0.5
91.05467	0.6
107.04935	1.0
112.99963	0.6
121.02834	0.5
123.36323	0.4
124.77708	0.4
127.01520	0.8
137.05986	2.8
139.01544	2.2
147.04271	0.5
153.03084	0.7
158.06308	0.4
167.07030	0.5
184.62619	0.5
243.03055	0.4
251.02907	0.5
270.62927	0.4
271.12323	0.7
313.04611	0.8
322.68521	0.5
322.72604	0.4
330.04974	6.2
341.07852	3.3
349.07153	0.3
349.10443	13.4
359.08881	100.0
360.09247	4.1
363.11908	0.7
377.09940	59.1
378.10226	2.0
387.14331	0.7
391.11514	7.6
392.11688	0.7
400.11902	0.5
409.12564	84.3
410.12866	3.6
593.78693	0.5
745.32062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28220	1.7
58.49912	1.4
61.02909	2.0
63.10490	1.6
65.03940	2.0
67.05491	3.3
73.02874	1.7
79.05486	6.3
81.03415	2.2
81.07004	2.0
85.02877	1.9
89.06054	2.1
91.05492	2.6
93.07024	6.5
94.06563	6.0
95.04951	2.4
97.02951	1.6
103.05456	3.8
107.07329	3.6
108.08110	12.6
111.04397	1.6
120.08101	26.1
122.06016	43.0
127.01525	2.0
131.08521	2.7
134.05998	2.3
136.07559	30.8
138.09077	1.8
148.07549	61.9
149.08080	1.6
156.54436	1.7
157.10229	2.0
166.08627	3.7
196.09769	1.8
196.43394	1.9
197.10742	2.8
209.10709	6.4
222.07880	2.9
223.08684	5.6
225.10086	8.0
235.08592	8.2
236.09439	6.3
237.10210	17.1
237.58371	1.8
238.11031	2.1
239.08173	2.1
239.11745	5.2
247.75853	1.6
249.10193	29.5
250.10945	7.6
251.08112	9.3
251.11746	13.7
252.08591	8.7
253.09666	13.1
263.08197	4.4
263.12033	2.4
264.08948	5.7
265.09683	22.3
266.10422	4.6
267.11264	13.8
269.09235	2.0
277.09674	28.1
278.10495	11.3
279.07639	13.4
279.11240	26.9
280.08243	2.2
280.11676	2.7
281.09015	1.7
283.10742	3.2
291.07556	5.7
292.08221	3.9
293.09122	8.9
295.10684	14.3
296.11246	2.1
298.09427	2.5
299.10266	3.0
305.09149	15.6
306.09735	2.9
307.10693	23.5
308.11389	6.2
309.08548	4.5
309.12079	2.8
311.10287	12.2
321.08673	6.3
323.10229	20.5
324.10803	5.6
333.08698	8.2
334.09393	2.3
337.12048	1.9
339.09656	3.8
340.10641	3.2
343.12823	4.1
351.09695	47.4
352.10364	7.0
355.12927	5.2
356.13794	3.2
365.11118	2.8
368.13647	2.8
370.15491	3.7
371.12366	17.8
383.12375	16.6
384.12897	2.4
384.17239	2.2
386.14661	2.1
389.17938	2.0
398.14160	2.3
412.16486	2.4
430.17700	3.3
438.14386	3.1
442.93414	1.9
456.15396	5.4
458.17065	3.9
461.21265	5.7
485.19537	2.6
486.16565	26.5
488.17868	2.7
490.19791	3.4
501.23087	2.8
505.18024	2.5
518.19269	25.7
519.19501	3.1
536.19867	3.6
546.18384	6.2
547.19080	3.0
562.17578	3.9
563.17908	2.3
578.21362	15.5
590.17615	14.6
591.18250	38.8
594.20679	4.0
604.18677	2.7
622.20215	100.0
623.20245	13.9
683.27142	5.0
727.25940	6.4
745.23059	16.0
745.35388	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
61.02907	2.3
62.93944	1.3
67.05511	3.0
73.62296	1.2
79.05486	5.5
80.05010	1.3
81.07059	1.4
85.02894	2.0
91.03921	1.2
91.05473	3.8
93.05807	1.5
93.07034	4.6
94.06571	6.0
95.04958	2.9
103.05469	2.4
105.07133	1.2
107.07368	2.9
108.08087	11.4
118.06519	1.6
120.04414	1.7
120.08090	23.2
122.06023	33.9
134.05960	1.3
136.07564	26.3
145.10109	1.5
148.07553	47.8
149.07939	2.1
150.09148	1.9
151.40033	1.4
164.06967	1.2
166.08609	2.1
171.18536	1.1
175.25143	1.2
196.72775	1.2
197.10777	3.1
207.09171	1.4
208.09871	1.8
209.10757	4.1
211.08687	1.6
211.12155	1.5
223.08656	3.8
223.12251	2.2
224.09311	2.7
225.10287	9.0
226.10710	1.4
235.08633	6.8
236.09393	5.9
237.10208	15.1
238.10852	1.2
239.08151	2.7
239.11787	4.9
241.09831	1.3
248.09372	2.1
249.10197	25.4
250.10977	8.0
251.08139	10.1
251.11823	11.1
252.08725	7.9
253.09773	8.3
261.10291	1.8
263.08221	4.1
263.11688	1.3
264.08923	5.6
265.09668	17.7
267.08334	1.8
267.11169	12.0
269.09164	2.8
277.09668	23.5
278.10422	9.1
279.07690	10.6
279.11288	24.8
280.08447	2.8
280.11700	2.6
281.09189	3.2
282.10059	3.3
283.10754	2.9
291.07730	3.4
292.08536	3.3
293.09134	6.4
295.10818	13.7
296.11227	1.5
297.08710	2.2
297.12015	2.0
298.09311	1.8
305.09143	14.3
307.10742	15.1
308.11514	5.5
309.08640	4.9
309.12277	3.4
311.10260	11.3
321.08517	6.9
323.10208	15.3
324.10822	2.3
333.08850	6.8
334.09363	1.7
339.09808	4.4
340.10724	1.9
342.15814	1.6
343.12729	1.8
351.09726	42.2
352.10342	4.2
355.13074	3.8
356.13681	1.7
365.11234	3.0
368.13947	2.5
370.15591	2.3
371.12387	18.9
383.12244	13.4
383.16547	1.7
384.13068	2.1
386.14944	2.2
388.16571	1.6
412.16913	1.4
438.14413	2.6
456.15485	5.1
458.17068	5.0
461.21451	4.1
485.19641	2.1
486.16595	24.7
487.16870	1.6
488.18073	2.4
490.19623	4.6
518.19202	22.1
519.19489	3.0
536.20099	5.0
546.18652	3.0
547.19250	2.0
562.17743	1.6
578.21179	10.4
590.09180	1.6
590.17603	15.8
591.18268	37.3
592.18628	2.6
594.20490	4.1
604.19122	1.7
622.20251	100.0
623.20496	11.6
683.27173	4.5
695.22900	1.5
727.25684	6.0
745.23090	10.9
745.35510	24.9
746.22546	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.01892	0.9
55.05516	1.0
57.03434	1.5
61.02922	4.6
67.05506	3.5
69.03432	3.0
71.04986	1.3
73.02917	3.7
79.05491	2.9
81.03421	5.5
81.07047	3.0
82.58205	0.8
83.04993	1.4
83.08623	1.5
85.02899	4.3
87.04458	1.1
89.06044	1.0
91.03952	1.6
91.05486	2.6
93.07056	2.9
95.04961	1.5
95.08595	1.7
97.02888	4.3
97.25683	0.8
99.04448	1.2
101.02374	1.3
105.07039	2.1
107.04997	2.1
107.08632	1.6
111.04474	1.3
111.08091	0.9
117.07039	1.1
119.08611	2.2
121.02881	1.6
121.06535	0.9
121.10182	2.5
124.04047	1.0
125.05939	0.9
127.03918	1.8
129.07018	1.3
131.08589	1.8
133.10141	1.8
135.11678	1.1
145.05054	0.9
145.06303	1.0
145.10182	2.1
147.04422	1.4
149.09642	1.6
163.11201	1.9
167.07059	0.9
173.09732	1.4
175.11119	0.8
181.12000	0.7
187.14859	1.6
188.15154	0.8
191.10785	1.2
193.12268	1.4
231.37531	0.9
243.08406	1.8
267.16071	1.6
283.15231	3.0
285.12329	1.5
301.66867	1.0
451.19427	1.4
469.20129	1.4
485.19888	9.2
501.22894	8.3
593.29822	0.9
695.32343	7.4
727.35065	2.4
745.36163	100.0
746.36475	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01878	0.4
55.05505	1.9
57.03429	2.0
61.02926	4.7
65.03940	0.4
67.05499	5.6
69.03424	3.1
69.07067	1.2
69.57395	1.4
71.01357	0.5
71.04975	0.4
73.02914	3.7
79.05489	4.3
81.03418	1.2
81.07044	5.2
83.04999	0.6
83.08617	0.7
85.02901	5.1
86.09699	0.5
87.04475	0.8
89.06031	0.8
91.03947	3.4
91.05471	2.8
93.07030	4.4
95.04957	0.7
95.08594	4.1
97.02876	5.3
97.06539	0.6
99.04468	0.7
101.02399	1.6
105.07029	5.5
106.07347	0.8
107.04990	0.3
107.08601	3.2
109.02867	0.8
109.10155	1.6
111.08110	0.4
115.03964	0.4
117.07011	1.1
119.02663	0.3
119.08598	1.4
121.10137	2.0
123.11660	0.8
125.00009	0.7
127.01603	0.5
127.03932	1.1
127.07491	0.3
131.08572	0.6
133.08600	0.8
133.10150	1.3
135.11702	2.3
138.19884	0.3
140.13708	0.3
145.04968	0.4
145.10158	0.8
147.11707	0.7
147.47345	0.3
153.03151	0.8
159.11824	0.4
163.11102	1.8
172.65605	0.4
184.07422	1.5
185.04234	0.8
203.57092	0.3
227.12750	1.1
241.08678	0.4
243.08386	1.8
249.10959	10.9
249.13506	0.6
305.13544	0.7
335.25854	0.9
467.18829	3.7
504.37772	0.4
519.29254	8.0
583.91205	0.3
745.41217	100.0
746.28412	0.3
746.41473	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	746.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
54.44745	0.3
57.30845	0.3
62.08680	0.3
65.03944	1.0
67.92896	0.3
69.03426	2.2
78.42223	0.3
81.03419	3.3
85.02901	1.4
87.04478	0.4
89.06013	1.3
91.05477	15.8
92.05795	0.4
95.04933	0.5
97.02892	0.4
99.04436	0.4
103.05473	0.6
107.04949	0.7
109.02852	1.6
119.04936	24.9
120.05254	0.5
121.02857	0.4
122.03547	0.3
124.03983	0.3
127.03943	0.7
129.03326	0.4
129.07047	0.4
131.04895	0.8
132.02046	0.8
133.02849	0.6
133.06381	0.3
133.08606	0.6
136.05241	0.5
137.05956	4.2
145.02837	1.0
147.04398	23.5
148.04807	0.5
149.02255	0.8
149.05960	0.4
151.07532	3.1
157.03963	2.6
161.05978	0.9
163.07539	1.8
164.04688	0.8
167.07054	0.6
167.08583	0.3
175.03896	42.7
176.04240	0.9
177.05479	0.9
177.09062	3.2
179.07060	2.0
179.08403	0.4
187.99881	0.3
189.09038	0.7
192.04196	0.7
195.08049	0.9
197.05916	0.3
207.06505	100.0
208.06863	2.3
225.07448	0.6
227.10655	1.1
238.06136	0.4
253.12192	0.5
255.10109	0.8
285.11264	0.5
287.12717	1.3
311.12781	0.6
313.14291	1.2
331.15372	3.3
333.11102	0.4
337.10696	0.4
337.14389	0.4
343.15305	0.7
351.10770	6.0
365.13837	0.9
369.11792	8.7
383.14844	7.4
384.15088	0.5
413.15512	0.4
519.19965	0.6
571.08710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39746	0.7
57.02631	1.0
58.29856	0.9
59.04996	29.7
69.16769	5.1
70.36300	0.7
73.53457	0.7
75.82739	0.7
79.05481	6.0
87.04443	2.1
89.06034	6.0
91.05472	2.4
93.07043	1.0
95.04950	3.2
103.05468	5.3
103.07574	31.3
105.07021	100.0
106.07331	2.5
111.85846	0.8
117.09053	0.8
121.06498	4.8
121.43198	0.8
131.08568	3.7
133.08606	4.4
139.93619	0.8
147.08063	2.4
147.10147	15.3
160.05125	0.8
165.09105	1.8
177.11198	1.8
184.07314	0.8
191.12849	1.2
209.11633	0.9
221.13809	0.8
225.12715	5.3
251.14282	5.7
253.16037	1.6
269.15244	4.0
302.05347	0.8
313.17960	2.1
329.18976	6.7
373.21524	2.9
417.24637	1.8
521.30841	2.8
746.45233	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	747.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93542	0.2
64.99709	0.2
65.03939	2.0
68.99775	1.6
69.69852	0.5
70.06586	0.5
71.48064	0.3
81.03404	0.4
85.02913	0.9
91.05488	1.1
95.08553	0.3
97.02893	0.3
99.28809	0.3
102.43799	0.3
103.05469	0.3
105.06976	0.4
109.02898	0.3
111.04424	1.4
112.01606	0.3
119.04928	2.7
121.02859	33.4
121.03946	2.0
122.03206	0.5
123.00777	0.3
133.06519	0.3
137.05988	0.7
139.00218	1.9
140.01048	0.3
145.02867	0.6
147.04427	1.0
151.03944	0.5
157.06398	0.2
159.11623	0.3
163.03926	0.6
167.07072	0.4
168.00522	2.5
169.01320	0.5
173.06027	0.4
175.03915	0.5
176.41315	0.2
177.01915	0.3
181.05009	0.3
186.01602	1.4
192.55312	0.3
201.05345	0.3
201.29379	0.3
205.01387	0.9
207.06517	1.5
214.99797	0.4
233.00806	1.2
241.04927	0.4
242.99123	0.3
245.00864	0.6
257.04431	7.1
259.02527	0.3
261.00241	1.7
267.06549	0.4
269.04416	0.7
281.04526	0.3
285.03900	3.3
286.04706	8.6
286.07858	0.5
287.05450	11.0
287.22232	0.3
288.99799	3.5
291.01358	0.3
295.06046	0.6
299.05609	0.7
307.06165	0.4
311.05548	0.4
315.01044	0.3
316.99231	2.9
323.05469	3.3
333.03867	0.4
335.00479	0.3
335.05560	0.7
351.04953	0.8
361.03540	1.7
363.05042	0.5
379.04388	3.0
389.03143	0.5
391.04446	0.4
405.06030	1.2
407.03912	3.5
408.04565	1.4
409.05444	3.8
433.05597	0.8
435.03195	6.4
436.04077	0.4
451.06592	4.0
453.04581	0.7
487.17084	0.3
571.08661	100.0
572.08881	7.0
585.20038	0.5
747.28217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54739	0.2
55.01869	0.2
60.41006	0.2
65.03938	2.2
67.05496	0.3
68.99780	1.9
69.03427	0.3
69.09938	1.3
81.03403	0.5
81.07052	0.3
85.02912	0.7
87.00842	0.3
91.05464	0.7
95.08601	0.4
97.02917	0.2
109.02908	0.3
111.04449	1.5
112.01561	0.3
113.02355	0.2
119.04939	3.5
120.08141	0.2
121.02861	35.5
121.03938	2.4
122.03202	0.9
123.00774	0.3
126.95660	0.2
127.03914	0.4
134.29184	0.2
137.02348	0.5
137.05937	0.4
139.00246	2.0
140.01064	0.4
145.02835	0.9
147.04398	0.8
151.03891	0.4
163.03929	0.4
167.07047	0.3
168.00539	2.3
169.01337	0.4
175.03931	0.6
177.01785	0.3
181.05098	0.2
185.00836	0.3
186.01605	1.3
195.02904	0.2
205.01378	1.1
207.06540	1.7
214.82941	0.2
214.99841	0.4
217.01181	0.4
223.02353	0.6
229.04968	0.3
231.02806	0.3
233.00784	1.7
241.04828	0.2
242.99326	0.6
245.00850	0.8
251.01747	0.2
257.04422	7.2
258.05096	0.5
259.02625	0.3
261.00327	1.7
267.06558	0.3
269.00906	0.3
269.04535	0.8
273.00259	0.3
285.03857	2.8
286.04703	9.1
287.02292	0.4
287.05466	11.9
288.05984	0.6
288.99759	3.6
291.01416	0.3
295.06107	0.7
299.05527	0.8
305.04407	0.3
309.04214	0.3
311.05496	0.4
316.99265	2.6
323.05441	3.7
333.03683	0.6
335.00256	0.3
335.05420	0.5
351.04987	0.9
361.03436	1.8
362.03824	0.3
363.05139	0.4
379.04443	3.0
389.03177	0.3
391.04486	0.4
405.05945	1.3
407.04004	3.5
408.04663	1.5
409.05466	3.9
409.10553	0.4
433.05646	1.3
435.03329	6.1
436.03784	0.4
436.20709	0.2
451.06656	3.5
453.04495	0.6
497.08655	0.4
571.08673	100.0
572.09015	7.8
611.23773	0.2
747.27576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	8.6
65.68258	1.6
69.43776	7.2
69.44094	1.3
72.24327	1.6
79.05508	1.8
82.01685	1.9
84.96002	1.9
91.05495	1.7
97.02934	1.8
98.97575	9.4
107.04990	1.7
110.97625	3.3
116.98611	3.9
128.98625	4.3
129.43518	1.5
131.08626	1.7
146.99657	3.2
147.04431	4.0
158.99693	3.6
161.01280	2.5
177.00749	2.4
179.03859	4.8
189.00615	2.6
197.04979	3.0
219.01765	6.9
221.04964	4.8
237.02786	11.0
264.33734	1.6
286.04654	2.7
287.05554	8.4
290.59689	1.5
299.04858	1.8
307.10413	1.6
323.07990	13.4
339.13449	2.3
341.08936	9.4
365.09271	6.4
399.15622	7.9
419.10577	2.4
474.74261	1.6
547.14648	6.5
618.58209	1.6
650.50391	1.9
661.18176	8.5
703.19757	40.3
704.20721	2.8
747.18842	100.0
747.38141	15.1
748.07318	1.7
748.19098	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	747.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.3
69.06646	3.7
69.07053	7.9
78.59528	1.4
79.05492	5.9
89.03935	1.6
91.05487	4.8
93.07043	5.8
94.06570	8.8
96.08128	1.4
103.05488	4.1
106.06525	1.6
108.04481	1.4
108.08114	17.5
110.06094	1.9
113.97613	1.8
116.04960	3.5
118.06519	4.3
120.04472	5.7
120.08100	36.9
122.06039	17.2
122.09676	2.3
124.03954	4.1
124.07572	3.7
134.06000	1.7
136.07579	27.4
137.05988	1.6
138.05499	7.7
138.09116	2.4
144.04434	6.8
146.06004	10.7
147.04428	1.5
148.07573	100.0
149.07947	1.6
150.05482	2.5
150.09132	2.3
152.07066	1.7
153.83524	1.4
154.05031	1.7
160.07625	2.0
162.05533	4.4
164.07072	2.6
166.05003	4.7
166.08612	8.2
172.03935	38.9
174.05513	1.8
187.14783	2.0
188.06998	2.0
190.05005	18.8
197.10762	2.3
204.06548	26.0
208.09802	2.2
209.10608	1.9
211.12270	2.3
212.09448	3.6
213.10266	2.2
222.11395	3.6
223.08652	1.9
223.12189	2.9
224.09431	3.9
225.10199	8.6
226.10997	3.4
227.11797	7.7
234.07611	2.4
236.09438	3.6
237.10228	19.3
238.10982	4.1
239.08131	4.6
239.11827	7.1
241.09673	3.9
245.13002	1.7
249.10327	5.2
250.07193	1.7
250.11055	3.1
250.16170	1.7
251.08147	3.6
251.11798	12.1
252.08681	26.7
252.12744	1.6
253.09666	13.5
253.13445	3.0
255.11267	10.5
257.12830	2.1
263.11786	2.8
264.08963	3.4
265.09729	23.7
266.10425	4.7
267.11285	6.8
269.12863	3.9
271.10767	6.5
273.12421	3.1
278.06546	11.2
279.08450	2.4
279.11310	18.5
280.08499	2.0
281.09637	2.8
281.12860	8.8
283.10715	7.8
285.12347	3.4
289.09613	2.4
291.11264	2.4
292.08047	4.2
293.09198	18.9
294.09952	5.0
295.10733	3.6
297.12354	9.4
297.18491	1.9
298.40640	1.7
299.10254	6.8
299.13574	2.0
307.10788	13.2
309.12415	8.4
311.10269	5.0
312.11026	6.6
313.11838	6.7
315.13373	3.2
316.14270	1.6
323.10193	3.3
325.11795	16.6
327.13577	2.1
333.14618	3.4
335.10248	11.3
339.13364	6.4
340.10486	3.6
341.11322	12.8
353.11307	15.8
354.11307	1.5
359.12305	3.6
360.17105	2.5
365.07294	1.5
372.17044	2.3
373.13950	5.8
379.11353	4.2
383.12204	1.9
385.13898	3.9
390.18094	2.4
399.15683	1.9
411.11765	13.6
416.15057	2.0
416.20154	2.2
418.17505	2.0
440.16385	2.3
443.14334	6.5
458.17236	2.1
460.18649	9.2
476.21890	3.3
478.19592	2.4
488.18149	39.8
489.18790	2.9
492.20828	2.1
504.21249	2.6
506.19208	7.2
507.20068	2.0
520.20557	4.2
524.20746	1.8
538.21423	1.6
548.20142	6.1
551.18976	11.5
564.20007	7.1
574.18054	4.7
592.19220	95.6
593.18927	8.2
596.22009	2.7
606.20703	3.4
607.21570	6.7
611.24695	3.4
624.21649	16.6
653.26501	2.7
679.24115	1.8
697.25385	8.1
747.33746	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	747.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.20247	0.4
56.05021	0.6
57.03423	0.5
58.99580	0.5
65.03930	2.9
67.05495	0.9
68.99786	2.3
69.03436	0.9
69.07058	0.6
70.06586	0.6
73.02905	0.6
79.05505	0.9
80.05017	15.0
81.03432	1.0
81.07039	1.1
82.06578	0.9
84.04501	5.5
85.02901	8.3
86.00650	2.2
86.06066	12.6
87.00799	0.4
87.04473	0.5
88.02202	1.6
88.03981	1.1
91.05476	3.4
93.05742	0.3
93.07031	1.3
94.06558	1.3
95.01329	0.9
95.05010	0.3
95.08588	1.0
96.04496	0.4
97.02885	0.6
102.05542	4.4
103.05470	0.5
105.07029	1.6
106.02859	0.5
106.06563	2.7
107.08595	1.6
109.10131	0.8
110.06021	1.1
111.02712	0.5
111.04465	1.8
112.03938	0.3
113.02361	0.5
117.07008	1.3
118.06522	1.0
119.04950	5.7
119.08559	2.3
120.08091	4.3
121.02863	42.6
121.03924	2.8
121.10118	1.2
122.03224	1.4
123.00774	0.6
124.03947	12.3
127.03888	0.6
128.06241	0.4
129.06978	1.0
130.04996	49.7
131.05321	0.6
131.08525	2.4
132.01147	3.0
133.10170	1.9
134.02733	0.5
134.06050	0.5
134.09679	0.5
136.07591	0.5
137.05948	0.7
139.00246	2.8
141.06966	0.4
142.07832	0.5
143.08546	2.0
144.09373	0.4
145.02809	0.7
145.06410	0.4
145.10127	5.6
147.04373	3.1
147.09109	0.6
147.11682	1.4
148.07567	3.5
149.07033	0.6
150.05530	0.7
151.03899	0.5
153.01776	0.4
155.08554	0.8
156.09380	0.8
157.10138	2.8
158.06004	0.8
158.10677	0.5
159.11707	2.7
161.13280	0.7
163.03885	0.7
163.08665	0.5
164.07069	1.0
165.10269	1.0
167.06944	0.5
168.00560	2.2
169.10107	0.8
170.10880	1.4
171.11674	1.0
172.12456	0.6
173.13272	1.0
175.03882	4.6
175.14809	1.2
176.07057	4.7
177.05470	0.7
177.07320	0.5
180.06549	0.8
185.13249	6.3
186.01604	2.1
187.14812	20.5
188.15245	0.8
190.01471	0.4
191.08156	1.7
192.06520	2.5
194.08144	1.3
199.14891	0.4
201.16505	0.7
203.14503	0.5
203.16650	0.5
204.06676	0.4
205.01379	0.8
206.08156	0.9
207.06508	12.3
209.09201	45.2
210.09552	0.9
211.10803	0.7
211.14828	2.2
214.99690	0.6
219.12080	0.6
222.07607	7.2
223.02394	0.7
223.10791	1.4
233.00789	1.6
239.10225	5.3
245.00766	1.4
257.04434	7.8
258.04950	0.7
261.00284	2.1
269.04443	0.6
285.03864	3.1
286.04672	10.1
287.05469	14.2
288.05875	1.2
288.99759	4.6
295.05951	0.8
299.05530	1.2
306.15173	2.7
308.16742	6.1
311.05338	0.6
316.99228	2.8
317.99509	0.4
318.15363	0.7
323.05417	4.6
324.05951	0.5
332.16748	1.2
333.03616	0.4
349.07516	0.4
351.04996	1.2
360.99316	0.4
361.03281	2.3
363.04938	0.9
377.06372	0.6
379.04517	2.9
397.24576	0.9
405.06076	1.3
407.04007	3.9
407.23248	5.7
408.04788	2.4
408.23267	0.5
409.05502	4.9
425.24338	0.8
431.19968	1.5
433.05542	1.1
435.03455	7.5
436.03665	0.7
451.06668	3.4
452.06848	0.7
453.04449	1.1
484.26630	0.6
489.20654	0.6
497.08505	0.5
525.08411	0.4
528.25287	3.9
546.26147	2.4
571.08679	100.0
572.09015	15.7
591.31799	1.1
625.29755	0.6
651.28229	0.5
669.29504	3.3
687.30164	0.8
729.31226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67333	0.4
56.99306	0.4
67.05521	0.4
69.03426	1.1
70.06587	0.6
73.02928	0.5
79.05490	0.4
81.03403	1.2
81.07079	0.5
83.08173	0.4
85.02924	0.9
88.30051	0.4
91.05483	1.5
93.07083	0.7
95.08619	0.6
101.35633	0.5
103.61816	0.4
105.07039	0.7
107.04998	0.5
109.02863	0.5
119.04910	2.6
121.02886	0.9
124.03983	2.1
131.04906	0.5
131.08604	0.6
134.42947	0.5
137.02335	0.7
137.05931	0.7
147.04387	2.6
154.04976	0.7
175.03925	3.2
185.04250	0.8
187.14801	0.9
203.05287	1.7
207.06480	6.9
259.07840	2.3
295.15244	0.6
297.18481	0.8
308.47012	0.5
308.51147	0.4
309.16763	0.6
325.30966	0.5
339.92810	0.5
347.09531	1.7
349.19827	1.4
365.10480	3.2
405.22473	0.6
416.15103	0.5
421.13220	1.9
423.23590	2.6
457.20230	5.3
471.21808	5.0
493.15140	1.0
497.23828	0.7
571.08588	1.8
585.19818	1.1
585.28632	14.5
619.25861	1.6
633.27136	1.9
659.28564	0.7
747.34058	100.0
748.34344	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	747.377
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03925	0.4
55.01876	0.5
55.05518	1.2
55.08339	0.4
57.03432	2.2
59.04998	0.6
61.02921	4.8
62.45155	0.4
62.78629	0.3
67.05501	2.4
69.03423	2.2
69.07079	1.6
69.53828	1.4
71.01340	0.5
71.04996	1.5
73.02916	2.9
79.05486	3.5
81.03411	5.2
81.07054	2.9
83.08623	1.0
85.02902	5.4
86.43816	0.3
87.04500	1.2
91.03950	2.0
91.05461	3.1
93.05472	0.3
93.07038	2.8
95.04974	2.3
95.08600	1.8
97.02885	3.5
97.06543	1.1
97.10191	0.4
99.04464	0.7
101.02409	1.3
103.03955	0.6
105.07061	1.9
107.04987	0.4
107.08604	1.3
109.02883	0.7
109.06553	0.7
110.57818	0.4
111.08037	0.5
113.19437	0.4
115.03940	0.5
119.04935	0.4
119.08611	1.6
120.08144	0.4
121.02881	0.7
121.10165	3.2
123.08094	0.5
127.03929	1.1
129.07021	0.5
131.05058	0.4
131.08559	1.8
133.10165	1.5
139.11205	0.9
145.05022	0.4
147.04442	1.2
147.11726	1.6
148.07608	0.6
149.09636	2.8
157.10179	1.3
167.10654	0.4
175.11256	1.3
183.02788	0.4
185.04289	0.5
193.12297	2.6
211.13307	0.4
225.14983	0.7
225.61470	0.4
241.07082	0.6
243.08386	2.8
251.12657	0.4
265.09781	0.5
267.16025	1.3
269.13687	1.7
281.13565	0.5
283.15164	3.6
325.16296	0.4
329.11935	0.4
339.17786	0.6
344.13959	0.6
376.06345	0.4
386.14307	0.3
425.18024	0.4
441.21457	0.4
443.18842	6.1
444.19342	0.6
460.19125	0.5
469.20593	3.2
475.17593	0.7
487.21487	6.9
492.18039	0.7
501.23004	14.1
502.23508	0.8
507.20123	1.0
520.20898	1.1
548.20367	1.3
580.23022	0.6
592.19171	5.0
593.19409	0.6
624.21527	1.5
703.35297	2.5
729.36578	1.6
747.37689	100.0
748.37927	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52553	0.7
55.05525	1.3
55.31203	0.7
57.03433	2.6
61.02920	6.6
67.05499	5.9
69.03432	3.4
69.07080	1.3
71.05032	0.7
73.02921	4.5
79.05495	3.5
81.03421	2.3
81.07038	5.1
83.08619	1.5
85.02908	5.3
87.04477	2.4
89.06046	1.9
91.03967	4.2
91.05479	3.8
93.07049	3.8
95.05009	1.8
95.08618	3.3
97.02898	4.2
98.23486	2.2
101.02383	1.7
105.07028	9.6
105.25304	0.8
107.08598	2.3
109.06534	1.0
109.10171	1.8
113.40583	0.7
116.59061	0.9
119.08604	1.5
121.10140	1.6
123.11760	0.9
127.03913	1.3
131.08594	2.1
133.10114	1.1
137.46788	0.9
139.68886	0.8
156.66760	0.8
184.07405	1.0
185.04054	0.8
188.87270	0.7
243.08545	2.3
348.32642	0.9
352.57736	0.7
442.16138	0.8
469.20615	3.4
519.29535	8.0
589.92822	1.1
719.23322	1.0
747.42773	100.0
748.42896	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	748.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01872	0.5
55.05493	0.1
55.34691	0.1
57.03438	0.7
59.73472	0.1
61.02921	0.8
68.99780	0.3
69.03426	5.4
69.69584	0.2
69.69965	0.2
71.01342	0.3
71.04971	0.6
73.02922	0.7
78.03448	2.7
81.03414	3.5
83.01341	0.2
83.04973	0.3
85.02900	10.1
87.00819	2.2
87.04459	0.3
91.03944	0.2
91.05491	0.1
95.04958	0.2
96.04486	100.0
97.02885	4.3
97.04809	1.0
98.22689	0.1
99.04456	1.3
101.02401	0.2
103.03954	0.6
105.01858	1.9
107.04937	0.2
109.02872	3.5
111.04444	0.3
115.03911	0.2
117.01882	0.1
117.07018	0.3
125.02367	0.2
127.03905	6.5
129.01849	0.5
129.05476	0.1
131.04883	0.2
135.08081	0.2
136.07552	1.2
145.04948	2.9
147.02881	0.4
149.05954	0.2
159.02890	1.2
169.04965	0.2
171.02716	0.2
173.06003	0.5
181.05009	0.2
187.05960	0.6
189.03951	0.5
201.05481	0.9
205.07018	0.4
213.03859	0.2
231.04993	2.2
231.07314	0.1
241.26602	0.1
243.10060	0.6
249.06020	0.5
330.64651	0.1
338.13840	4.7
339.14194	0.2
496.81488	0.1
500.19077	0.4
542.19989	0.2
565.64587	0.1
586.19025	1.5
704.24817	0.1
748.24249	2.7
749.24402	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	748.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	0.9
57.03437	0.9
57.56689	0.1
61.02927	0.6
65.03944	0.1
65.64689	0.1
68.61736	0.1
68.99789	0.5
69.03427	5.1
70.70496	0.2
71.01354	0.2
71.04986	0.6
73.02923	0.8
78.03447	2.6
81.03412	4.6
82.03763	0.1
83.01330	0.2
83.04971	0.1
84.82220	0.1
85.02901	10.9
87.00825	3.4
87.04449	0.1
91.03963	0.2
96.04488	100.0
97.02888	3.3
97.04212	0.1
97.04797	1.0
98.23425	0.1
99.04447	1.9
101.02346	0.1
103.03940	0.4
105.01861	3.0
107.04942	0.2
109.02875	5.4
111.04436	0.2
115.03934	0.1
117.01849	0.5
117.07022	0.4
125.02376	0.1
127.03909	8.3
128.04248	0.2
129.01848	0.5
129.05525	0.1
135.08069	0.2
136.07564	1.2
139.03827	0.1
145.04955	3.3
145.06299	0.2
147.02888	0.6
159.02884	2.2
169.04993	0.1
173.05980	0.7
177.03899	0.2
178.84663	0.1
187.05978	0.6
189.03992	0.3
201.05470	1.0
205.07054	0.4
213.03963	0.5
231.04991	2.8
243.10182	1.1
244.10750	0.1
249.06030	0.5
283.89813	0.1
338.13840	7.7
339.14252	0.4
500.19131	1.1
662.24121	0.1
748.24445	1.4
749.25110	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	748.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01865	1.3
55.05516	5.6
56.05027	6.5
58.99579	2.4
59.05003	1.8
60.04517	1.3
64.05441	0.8
67.05499	7.3
68.05029	1.1
69.03422	16.5
69.07068	3.7
70.02938	3.2
70.04088	2.2
73.02916	1.7
76.02253	1.2
78.03458	2.2
79.05496	5.3
80.05025	6.4
80.95139	0.8
81.03410	7.3
81.07059	7.3
82.06576	2.0
83.04973	10.3
83.06084	3.3
83.08642	1.1
84.04497	34.2
85.02915	1.4
85.06500	1.0
85.25260	0.8
86.00645	7.3
87.04463	1.5
88.02215	6.6
88.03983	30.9
89.06032	1.4
91.05463	10.3
93.07038	7.7
94.06580	1.1
95.04965	3.3
95.08617	6.7
96.04485	4.0
98.06056	1.8
100.11257	2.8
103.03957	1.7
103.05477	1.1
105.00064	1.2
105.07023	14.3
106.02921	7.4
107.04969	0.9
107.06107	1.6
107.08579	6.8
108.04482	3.3
109.06519	2.1
109.07607	6.3
109.10154	2.8
110.06036	3.6
111.04438	13.6
112.07581	2.4
115.05394	1.0
116.01683	1.2
116.03453	2.2
117.07001	7.5
119.08578	14.2
121.06487	1.6
121.10115	5.3
122.02751	2.3
123.02677	1.6
124.03941	89.9
125.04246	2.1
125.07104	11.4
126.05508	2.7
128.06190	1.8
129.06970	5.1
130.04980	17.7
130.07779	2.8
131.08568	14.7
132.01129	15.0
133.06509	1.0
133.10103	9.6
134.02705	2.1
135.02649	1.0
135.08060	1.4
135.11678	1.2
137.04175	1.6
141.06912	2.8
142.03206	1.6
142.07779	3.9
143.08560	11.8
144.09366	2.3
145.06418	1.0
145.10110	47.4
146.10516	1.0
147.04390	1.5
147.08057	1.9
147.11690	3.9
149.09625	1.1
149.13261	1.2
153.06609	5.4
154.05000	7.0
154.07649	1.5
155.01575	0.9
155.08328	10.1
156.06532	2.2
156.09328	4.1
157.10107	15.1
158.10886	4.2
159.11670	21.1
161.13191	2.4
163.05736	1.1
163.11092	1.0
163.14856	0.9
165.07074	2.3
167.08585	4.3
168.09334	2.3
168.17476	1.4
169.10110	9.0
170.10887	2.6
171.07634	25.7
171.11688	9.1
172.06052	1.1
172.12465	8.4
173.09718	1.5
173.13234	5.5
175.14784	1.8
179.08586	3.2
180.09283	1.6
181.10088	7.6
182.10857	3.9
183.11658	7.2
185.03838	2.8
185.09688	1.2
185.13246	12.6
187.14799	100.0
188.15175	3.5
192.06514	1.6
193.10141	5.2
194.10863	2.5
195.11685	5.0
196.12424	3.5
197.13269	9.4
199.07076	4.7
199.11206	1.4
199.14786	5.8
200.05530	3.7
203.14319	1.2
205.10170	3.1
206.10928	1.4
207.11703	2.9
208.12494	1.2
209.09523	1.2
209.13264	5.9
211.11243	1.3
211.14807	10.0
213.16396	2.3
215.08984	1.2
215.14326	2.3
217.08197	27.8
217.10139	1.9
219.11914	5.9
220.12477	2.1
221.13225	2.9
223.11130	1.7
223.14851	2.7
225.16435	2.2
231.04308	8.8
231.11861	2.2
233.05910	1.4
233.13121	1.4
234.13951	1.1
235.14754	8.2
236.15672	1.1
237.12605	1.3
237.16476	1.6
243.11995	1.6
245.13579	1.8
246.14174	1.4
249.05455	1.9
249.12764	1.2
249.16252	1.2
251.17970	2.1
253.15842	2.3
261.16339	1.8
267.17468	1.1
269.19003	1.6
279.17395	9.9
297.18430	23.3
303.04959	2.8
308.16803	4.6
311.14478	1.1
313.20428	1.7
324.14847	1.4
329.15610	2.4
372.19998	1.3
400.19348	8.0
418.20413	37.1
419.20633	2.0
431.19855	2.0
463.25729	1.1
467.16977	1.1
467.23294	1.1
472.21506	1.8
485.24966	1.3
495.16443	2.8
497.24738	2.0
523.22540	2.9
529.23859	5.3
541.23627	17.0
542.23749	1.5
547.24689	2.5
556.23083	1.1
559.24347	4.6
584.22900	2.4
587.20544	1.8
601.25714	27.1
602.25446	1.9
608.27460	2.8
619.26660	7.4
626.28589	2.6
652.26520	6.2
668.29260	1.0
670.28119	4.6
712.28998	16.2
713.28827	1.3
730.30115	10.1
731.30127	1.0
747.56378	3.5
748.32635	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	749.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.76361	0.6
57.03427	0.6
65.03930	1.1
67.01861	2.2
68.99791	2.1
69.03433	0.6
70.06579	1.7
71.65709	0.5
77.80226	0.4
81.03414	1.4
81.04567	0.5
82.84290	0.5
84.08125	0.6
85.02897	1.9
86.09692	0.6
92.06534	0.5
97.02913	1.4
111.04448	1.2
119.04960	0.6
121.02862	19.9
121.03867	0.6
121.04046	0.9
123.00750	0.6
127.03925	0.8
128.88474	0.6
137.02351	18.4
137.03464	2.4
137.63200	0.6
141.01826	0.6
145.02876	0.8
147.04411	1.5
148.21431	0.6
153.01823	9.0
163.03883	0.6
169.01334	5.8
171.02930	1.9
171.04330	0.5
181.04965	1.1
187.02345	1.1
211.03833	0.6
215.03413	1.1
227.03323	2.4
245.04448	1.3
249.96999	0.5
253.04895	1.0
255.02954	2.5
271.02490	0.9
273.03900	2.7
281.04385	0.9
283.02502	1.1
286.04810	2.7
287.05435	1.3
297.03854	0.7
299.05307	0.6
301.03342	4.3
302.04257	0.9
304.99286	0.6
316.99136	0.6
335.58109	0.6
347.16760	1.6
351.05026	0.9
353.02762	0.6
377.02991	1.1
407.03775	0.8
409.57126	0.5
419.07532	3.6
425.05432	0.9
435.07141	27.9
436.07370	1.5
445.05450	1.0
451.02957	1.5
461.05157	2.5
587.08154	100.0
588.08606	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	749.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.76361	0.6
57.03427	0.6
65.03930	1.1
67.01861	2.2
68.99791	2.1
69.03433	0.6
70.06579	1.7
71.65709	0.5
77.80226	0.4
81.03414	1.4
81.04567	0.5
82.84290	0.5
84.08125	0.6
85.02897	1.9
86.09692	0.6
92.06534	0.5
97.02913	1.4
111.04448	1.2
119.04960	0.6
121.02862	19.9
121.03867	0.6
121.04046	0.9
123.00750	0.6
127.03925	0.8
128.88474	0.6
137.02351	18.4
137.03464	2.4
137.63200	0.6
141.01826	0.6
145.02876	0.8
147.04411	1.5
148.21431	0.6
153.01823	9.0
163.03883	0.6
169.01334	5.8
171.02930	1.9
171.04330	0.5
181.04965	1.1
187.02345	1.1
211.03833	0.6
215.03413	1.1
227.03323	2.4
245.04448	1.3
249.96999	0.5
253.04895	1.0
255.02954	2.5
271.02490	0.9
273.03900	2.7
281.04385	0.9
283.02502	1.1
286.04810	2.7
287.05435	1.3
297.03854	0.7
299.05307	0.6
301.03342	4.3
302.04257	0.9
304.99286	0.6
316.99136	0.6
335.58109	0.6
347.16760	1.6
351.05026	0.9
353.02762	0.6
377.02991	1.1
407.03775	0.8
409.57126	0.5
419.07532	3.6
425.05432	0.9
435.07141	27.9
436.07370	1.5
445.05450	1.0
451.02957	1.5
461.05157	2.5
587.08154	100.0
588.08606	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	749.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03422	0.5
58.48263	0.4
65.03935	1.8
68.99782	2.0
71.01373	0.6
85.02909	1.2
89.13965	0.4
93.03438	0.4
95.01331	0.8
98.23423	1.2
100.80617	0.4
111.04438	1.4
113.02400	0.7
115.53315	0.5
121.02859	34.4
121.03956	2.8
121.89670	0.4
122.03221	0.7
123.00773	2.7
141.01855	1.7
147.04422	0.9
151.00327	0.5
161.02411	0.4
169.01312	17.5
171.04420	0.6
187.02371	4.5
187.03859	0.3
188.11668	0.4
199.03911	0.7
203.03412	0.7
215.03412	1.5
227.03354	2.0
245.04567	0.8
253.05011	0.6
255.02859	4.0
257.04434	0.8
271.02444	1.1
271.05923	0.5
273.03848	2.1
281.04565	0.8
283.02396	1.9
286.04770	0.5
287.05582	0.6
299.01892	0.9
301.03409	5.1
309.04135	0.5
313.03381	0.6
325.03494	0.5
327.01553	1.0
351.05017	0.4
373.06961	0.8
377.02634	0.5
402.07196	0.5
403.08344	0.5
405.02255	1.1
407.04153	0.5
418.07065	1.0
419.07565	46.4
420.07999	2.5
421.05756	0.9
423.03439	0.7
425.04889	0.5
445.05521	5.1
451.02957	0.7
551.05774	0.6
587.08130	100.0
588.08411	5.0
590.36145	0.4
596.29944	0.5
756.38721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01896	0.7
69.03431	0.9
70.06578	0.6
77.03953	0.7
79.05499	1.7
80.84093	0.4
85.02901	1.5
91.05492	0.8
95.04980	3.8
97.02898	0.7
105.04500	1.3
107.04952	100.0
108.05270	2.6
109.05575	0.4
118.60540	0.4
119.04905	0.6
121.02846	1.4
129.03096	2.0
129.10298	0.6
147.04408	0.6
151.03932	0.5
158.25787	0.4
163.03926	0.5
167.06789	1.3
169.01242	0.4
185.04175	4.6
195.06279	3.7
213.07324	30.2
214.07759	0.6
267.06430	1.0
273.03879	1.4
285.91425	0.5
301.03192	0.7
303.05020	1.2
309.09186	0.6
313.11322	0.5
375.12497	2.4
377.09628	0.6
395.10721	0.6
410.93823	0.5
419.16342	1.8
433.15918	0.6
435.15869	1.7
463.15787	2.2
477.15143	0.8
481.16812	40.4
482.16522	1.4
495.16025	1.8
507.19534	0.5
569.19568	1.4
587.21484	3.3
643.22125	4.3
659.31744	0.7
749.25006	23.0
750.26239	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	749.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.0
61.02930	4.0
65.03952	4.8
67.05500	9.1
68.99796	7.5
69.07070	1.8
70.06577	2.6
73.02936	3.0
79.05488	10.2
81.03414	2.9
81.07053	9.9
83.89686	1.6
85.02918	3.8
89.06081	1.8
91.05474	9.6
92.99805	1.7
93.07040	6.2
95.04980	5.8
95.08619	2.5
97.02882	2.5
104.92451	1.4
105.04517	2.3
105.07048	3.2
107.01360	2.7
107.04939	5.3
107.08612	2.0
108.24946	1.6
109.10195	2.0
111.04441	2.0
115.05405	2.0
117.07008	2.2
119.04913	13.1
119.08637	2.7
120.04469	13.4
121.02859	46.7
121.06541	2.1
122.03197	2.0
123.00788	2.4
127.03973	2.4
131.04890	2.8
131.08562	2.6
133.06380	1.8
133.08612	2.2
136.07565	3.0
137.02350	1.7
139.89520	1.7
145.02867	12.0
147.04387	12.9
149.02380	7.5
151.03897	18.6
159.04416	5.2
163.03886	19.4
165.05545	2.0
167.03369	15.3
169.01358	2.6
171.01097	22.4
175.03915	4.1
177.05458	4.2
179.25015	1.9
180.05624	3.0
185.00919	1.8
187.03926	4.7
189.05516	1.9
193.01390	3.8
195.02930	2.7
197.06093	2.3
199.03972	2.1
207.03014	2.3
207.06584	3.6
208.07556	1.8
211.02383	3.7
225.38535	1.6
229.05006	4.2
229.72202	2.0
231.02954	3.2
239.07066	4.8
241.04926	2.3
251.07074	10.1
252.07809	2.4
253.04970	3.0
255.06531	27.5
257.04437	8.6
258.05328	2.5
263.06970	2.2
265.08633	3.3
267.06509	100.0
268.06985	3.5
269.04391	2.4
271.06125	4.0
272.03802	15.9
273.03937	17.1
276.07895	4.6
277.08563	32.5
278.09314	2.4
279.06638	3.2
279.09778	2.1
281.08118	5.4
283.06107	7.6
284.14352	12.4
285.03973	9.9
286.04666	10.7
287.05435	15.8
289.08575	5.3
291.06586	2.5
291.10138	3.7
292.07443	2.2
293.08069	16.3
295.06088	15.9
295.09335	3.5
297.04001	5.8
297.13913	2.8
299.05505	5.5
301.08578	2.0
305.08182	9.4
306.07880	10.2
307.06006	6.3
307.09430	2.2
309.07724	2.8
311.05463	18.5
311.15384	3.6
312.16238	6.2
317.08054	8.0
318.08694	1.8
318.91281	2.0
319.09604	2.3
320.06796	4.5
321.07550	5.9
327.18713	2.3
333.07632	4.7
337.07141	3.4
347.09222	2.1
349.06998	4.2
359.08786	1.8
361.07135	4.7
361.17938	9.6
369.14883	2.2
377.09723	4.7
377.17569	5.8
383.11255	6.0
387.16003	12.6
387.62894	1.9
389.17484	29.5
395.10855	3.5
403.15363	8.6
405.16949	29.0
413.13708	2.2
415.15408	5.8
423.18005	2.8
431.14862	18.6
433.10672	3.5
433.16455	54.0
434.16965	2.1
449.15833	10.5
451.17557	24.8
452.17773	2.4
453.04276	3.2
458.07199	3.5
459.14551	5.2
463.21338	4.3
467.16965	3.1
469.18494	5.5
477.15320	33.0
479.20456	3.4
483.17325	2.9
489.18979	13.5
495.16492	87.0
496.16663	3.1
497.99408	1.9
507.20105	44.1
508.20386	3.5
513.17572	6.8
525.21143	44.6
526.21191	2.0
551.19214	5.7
563.13104	7.7
569.20154	18.2
573.10272	15.7
579.15778	4.3
587.08093	2.0
587.10406	2.0
587.21191	31.5
588.21082	3.1
659.32269	6.5
749.16364	47.2
749.35345	8.6
750.15735	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	749.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05494	4.8
57.03424	2.8
58.73262	1.5
61.02922	2.9
65.03915	2.1
66.48859	1.3
67.05508	10.3
68.99789	6.2
69.03433	2.7
69.12686	10.5
74.62867	1.7
79.05473	8.7
81.03402	4.4
81.07049	6.4
85.02894	2.7
87.04477	1.8
89.06023	2.3
91.03950	2.6
91.05470	11.1
93.07033	5.9
95.04944	3.5
95.08611	3.4
97.02885	3.2
103.05457	1.9
105.03378	2.7
105.07011	4.5
107.04945	4.0
107.08591	1.8
119.04934	15.9
119.08644	2.1
120.04446	7.3
121.02862	53.3
123.11736	1.5
131.04939	5.3
131.08542	2.0
133.02820	2.1
133.10078	1.7
135.04440	2.1
136.07581	1.9
137.02367	2.1
137.05945	2.2
145.02806	9.1
145.06432	2.2
147.04402	13.4
149.02295	11.5
151.03871	12.9
157.01305	2.1
159.04408	4.1
163.03885	18.0
163.11238	1.9
165.06926	2.9
167.03383	14.7
169.01385	2.3
170.10426	1.6
171.01112	11.9
173.06039	1.7
175.03915	2.3
177.05472	2.0
179.03311	1.7
180.05708	3.2
187.03880	6.7
189.05470	2.3
191.03369	2.7
193.01282	4.2
193.05144	2.3
195.02870	5.8
199.03888	2.2
201.01878	1.6
203.03436	1.7
207.02875	2.4
208.07484	2.4
211.02365	2.0
227.07100	2.6
229.05002	4.2
231.02928	2.9
239.07025	2.9
241.04964	2.9
251.07034	11.3
252.07730	1.6
253.04881	1.9
255.06519	28.5
257.04370	5.2
263.07050	2.0
265.04959	2.2
265.08557	5.2
267.06500	97.6
268.06802	3.9
268.11362	1.7
272.03793	9.3
273.03992	15.8
276.07773	5.4
277.08585	36.1
278.09354	3.1
279.06485	6.8
279.09991	2.6
281.08017	4.9
283.05988	7.0
284.14334	5.8
285.03909	6.5
286.04776	3.6
287.05408	6.6
289.08636	6.2
291.06543	2.9
291.10077	4.6
292.07346	3.9
293.08127	16.9
295.06091	18.8
295.09329	2.5
297.04019	7.2
297.07281	1.9
297.11130	2.8
299.05435	7.3
301.03229	2.7
305.07910	7.3
306.08099	3.6
307.05981	6.0
307.09503	3.3
309.07590	3.1
311.05411	18.6
311.15393	2.8
312.16150	3.4
317.08075	9.0
318.08655	1.8
320.06772	4.8
321.07507	9.8
325.07022	2.4
327.18253	2.0
333.07562	5.5
337.07059	2.7
339.08548	1.9
349.06964	5.7
361.07010	9.9
361.17957	12.2
369.14655	1.9
377.17313	7.3
383.11218	5.2
387.16025	14.4
389.17474	30.2
397.14334	1.9
403.15320	12.1
405.11679	1.1
405.16913	28.2
413.13519	2.6
415.15396	9.1
423.18073	2.7
431.14935	24.3
433.16440	61.2
434.16751	2.8
441.13348	2.8
449.15955	11.4
451.17560	30.8
459.14108	4.2
463.21198	2.5
467.17346	2.9
469.18451	7.2
477.15402	33.1
478.15173	1.8
489.19028	19.0
495.16452	100.0
496.16611	6.2
507.20108	49.2
508.20615	3.6
513.17419	6.6
525.21216	50.6
526.21704	3.5
551.18805	5.9
563.12872	3.6
569.20270	21.3
587.21130	31.9
588.21637	2.3
659.32471	7.1
748.33691	2.7
749.16345	26.9
749.33954	6.6
750.16107	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	750.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
56.05015	0.2
57.03436	1.3
64.81573	0.1
65.03916	0.3
67.05476	0.5
67.23997	0.1
68.99770	0.9
69.03421	0.3
69.92847	0.3
70.06589	4.3
76.48437	0.1
79.05491	1.2
81.03398	0.2
81.07040	0.5
83.01359	0.3
91.05465	2.3
91.50641	0.1
93.03395	0.2
93.07014	0.2
94.14142	0.1
95.04969	1.2
97.06507	1.0
98.23394	0.2
99.00781	0.2
103.05459	1.3
105.03396	0.6
105.07003	0.2
106.06512	0.2
107.04938	2.2
109.02837	0.4
109.06503	0.9
110.06021	0.4
114.05513	0.2
118.04144	0.4
119.04173	0.2
119.04941	2.9
121.02866	1.2
121.06477	0.2
123.04430	1.0
125.02354	0.3
125.06006	1.0
127.03953	0.1
131.04915	4.7
134.90826	0.2
135.04419	0.8
137.02338	0.4
137.05959	2.6
139.03819	0.1
141.05399	0.1
147.03290	0.3
147.04396	3.4
149.02252	0.2
150.03105	0.2
151.03886	1.0
153.01811	2.6
153.05438	0.5
154.99780	0.3
155.03554	0.2
157.02809	0.2
159.04391	0.3
161.02505	0.1
162.35123	0.1
162.78725	0.1
163.03836	0.2
165.01801	0.7
165.05446	1.5
169.00098	0.1
169.01292	0.8
169.04941	0.6
171.02832	0.5
174.05499	0.5
175.03894	6.1
176.04372	0.2
177.01837	0.1
177.05414	0.3
177.11443	0.1
178.02617	0.2
179.03395	1.6
181.01309	4.2
181.04939	0.2
182.01610	0.1
183.02879	0.9
185.00734	0.3
185.02361	0.1
191.03391	0.2
192.06563	0.8
193.01283	0.5
193.04948	8.9
194.05215	0.1
195.02867	5.9
195.06503	0.6
196.03404	0.1
197.04431	0.1
199.02365	4.2
202.05038	0.7
203.03395	3.5
203.05272	0.2
205.04942	0.2
207.02953	0.7
209.04445	3.5
209.06313	0.3
209.08041	0.3
211.02313	0.6
211.05908	0.7
213.03920	0.2
215.08600	0.2
220.06090	1.7
221.04428	100.0
222.04742	2.6
227.06969	0.2
229.04976	0.4
229.12257	0.4
233.09592	0.3
236.05521	0.3
237.09030	0.2
238.07101	6.9
239.05424	4.9
243.06148	0.3
243.08185	0.4
251.10487	0.2
253.04982	0.2
254.05626	0.2
257.08090	0.2
261.09085	0.3
267.06577	0.2
268.07126	0.3
269.04550	0.3
269.07867	0.1
270.05212	0.4
271.05966	6.1
279.10117	0.4
282.08765	0.2
283.06461	0.1
283.09610	3.0
284.03134	0.2
284.10147	0.2
285.07529	1.7
286.08347	0.4
289.08667	1.1
296.06836	0.6
297.04370	0.2
297.07556	0.4
297.10889	0.2
298.04764	0.3
299.05487	51.7
300.05865	2.3
301.06412	0.2
301.10703	1.4
307.09677	1.0
311.05685	0.2
311.09091	0.4
313.07019	2.5
313.10681	1.2
314.07803	7.9
315.08200	0.3
324.12350	0.4
325.10672	9.7
326.10965	0.4
327.08557	0.4
328.09344	0.2
329.10150	95.6
330.06729	0.3
330.10489	4.9
331.10742	0.4
340.11792	1.0
341.12225	0.5
342.13318	90.6
343.13641	3.8
409.05844	21.9
410.06244	0.9
411.05939	0.2
416.26230	0.1
429.65576	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	750.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23793	0.4
57.03429	1.5
67.05488	0.6
68.99818	0.7
70.04794	0.5
70.05116	0.9
70.06591	4.3
76.48705	0.5
78.39474	0.4
79.05483	1.3
81.07051	0.6
91.05475	1.5
95.04957	1.5
97.06515	0.7
98.23402	0.6
100.86673	0.4
103.05457	1.8
105.03355	0.8
107.04932	1.8
110.06036	0.6
119.04952	2.7
121.02860	0.9
123.04440	0.6
125.06010	1.1
131.04921	5.3
134.73599	0.4
137.05949	1.8
147.04353	2.7
151.03871	0.9
153.01825	2.1
165.05499	0.9
169.01357	0.6
175.03891	4.9
179.03407	1.6
181.01279	4.5
183.02785	0.8
192.06523	0.5
193.04968	7.9
195.02885	4.0
195.06520	0.7
199.02385	3.9
203.03400	3.8
209.04512	3.3
211.02359	0.7
214.78873	0.5
215.08379	0.5
220.05994	1.9
221.04437	100.0
222.04781	3.2
238.07085	7.2
239.05438	4.7
270.05276	0.5
271.06015	4.8
272.06415	0.7
283.09711	2.7
285.07544	1.3
289.08618	0.7
296.07104	0.7
299.05502	45.6
299.08978	2.1
300.05884	2.0
301.10736	1.2
307.09711	1.4
313.07156	2.1
313.10626	0.9
314.07861	7.5
325.10641	9.8
329.10172	99.4
330.10461	5.2
331.10654	0.6
340.11884	1.6
341.12054	0.6
342.13336	98.3
343.13589	5.3
409.05856	22.1
409.11404	0.8
410.05930	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	751.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
53.50053	0.6
55.01868	0.5
55.05511	0.8
57.03431	0.6
58.91146	0.4
61.02917	3.1
65.03927	1.3
67.05510	1.7
68.53879	0.4
68.99804	0.7
69.03434	1.6
69.17785	3.3
70.06605	1.6
73.02910	1.0
75.33617	0.5
79.05503	1.0
81.03442	0.9
81.07104	1.0
81.39106	0.5
85.02920	1.9
86.09740	0.8
91.03960	1.4
91.05495	1.2
93.07058	1.0
95.04941	0.9
95.08601	1.0
97.02897	2.2
104.93549	0.5
111.04454	0.8
119.04968	2.4
121.02862	30.3
122.03143	0.5
123.04420	0.6
127.03992	0.6
131.08609	0.5
133.02866	0.8
133.06506	0.7
145.02861	1.4
145.06497	0.7
147.04359	2.7
151.03903	5.0
163.03893	2.9
165.05418	0.8
173.06029	0.6
175.03964	0.6
179.03433	0.7
183.08145	0.5
187.03900	0.7
189.05569	0.6
191.03456	0.6
191.07063	0.6
193.01549	0.5
195.02942	2.4
213.05507	1.1
215.07094	0.6
227.06934	0.5
237.09131	0.6
238.06264	1.2
239.07013	17.5
240.07593	0.9
241.08740	0.5
243.13828	0.5
250.06378	0.6
251.07005	9.4
252.07655	3.2
253.08630	2.8
255.06581	1.4
257.04495	0.6
263.06903	0.7
264.07935	0.7
265.04965	1.3
265.08588	3.3
266.09396	1.0
267.06497	7.6
268.07153	1.3
269.08167	2.4
277.08597	3.2
279.06628	1.6
279.10080	0.8
281.08231	2.6
283.06082	2.8
285.07892	0.8
286.04541	0.6
287.02655	0.6
289.08606	1.1
291.10123	0.9
293.08163	2.2
293.11703	0.7
295.06070	3.2
295.09259	0.8
296.06750	0.7
305.08087	0.8
307.09540	0.8
309.07593	1.6
311.05582	1.5
321.07620	0.9
321.11282	0.6
323.09064	1.1
335.09061	0.6
335.16409	6.0
345.15045	0.9
347.16623	0.8
351.19601	0.7
361.18164	0.9
363.15894	8.4
365.17599	1.9
373.14481	0.7
377.17615	1.8
379.15033	2.8
379.19235	2.0
387.16171	0.8
389.17529	2.4
391.15506	2.0
393.17041	1.4
405.17053	5.6
407.14792	5.5
407.19696	4.8
409.16367	0.7
415.15945	0.7
417.16907	2.6
423.18018	2.3
425.20126	0.8
433.16415	7.4
435.18292	5.9
437.07291	0.8
447.20053	0.7
451.17551	9.8
453.19073	2.7
461.16064	5.4
471.20120	2.0
479.16980	12.3
480.17297	0.7
497.18036	15.2
509.21771	1.5
515.19220	1.7
527.22754	18.1
528.23108	1.2
553.20654	0.7
571.21704	10.4
589.22760	100.0
590.23029	6.1
595.95209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05503	1.5
57.03425	0.8
61.02916	2.3
64.50594	0.3
65.03947	1.2
67.05497	1.1
68.99783	1.0
69.03424	1.3
69.47318	0.3
70.06588	0.8
70.87972	0.4
70.92832	0.3
71.01348	0.5
73.02911	1.2
76.97203	0.3
79.05497	1.3
81.03395	0.7
81.07059	1.1
85.02901	1.9
86.09712	0.4
91.03970	0.8
91.05494	1.1
93.07037	0.7
95.04962	0.6
95.08584	1.0
97.02888	1.9
101.02422	0.5
105.03411	0.5
105.07032	0.6
107.04948	0.4
107.08558	0.4
111.04427	0.7
117.07027	0.8
119.04951	2.5
121.02860	26.2
122.03155	0.5
127.03905	0.5
131.04941	0.5
131.08559	0.4
133.02847	0.8
133.06471	0.6
135.04408	0.8
140.44624	0.3
145.02869	1.3
145.06474	0.4
145.10051	0.4
147.04457	1.4
149.02351	0.6
149.06009	0.4
151.03888	4.8
155.08620	0.6
157.01318	0.4
159.04353	0.4
159.08023	0.4
161.05981	0.6
163.03911	2.4
167.03406	0.8
173.05936	0.5
179.03456	0.4
187.07666	0.4
195.02853	1.8
213.05482	0.9
215.07076	0.8
217.12395	0.3
223.07626	1.2
227.07091	0.6
237.09084	0.7
238.06137	0.6
239.07030	15.6
240.07512	1.2
241.05014	0.6
241.08493	0.6
243.06572	0.6
251.07039	8.1
252.07799	2.0
253.08592	1.9
255.06544	1.4
257.04468	1.1
265.05038	1.2
265.08548	2.6
266.09448	0.8
267.06540	5.2
267.09634	0.5
268.07056	0.6
269.08075	2.3
277.08542	2.6
279.06589	1.7
279.10156	1.4
280.07343	0.5
281.05142	0.5
281.07974	2.0
283.06021	2.4
285.03574	0.4
289.08740	0.7
291.10080	1.4
292.07214	0.4
293.08121	1.7
293.11304	0.4
295.06055	3.2
295.09375	0.7
297.07608	0.8
297.11414	0.4
303.10269	0.6
305.08099	1.3
307.09677	0.6
309.07599	1.0
311.05621	1.0
321.07681	1.3
323.09198	0.7
335.16406	3.9
337.17853	0.5
345.15094	0.5
349.18018	0.4
351.19623	0.7
361.14194	0.6
361.18216	0.7
363.15891	7.5
364.16467	0.5
365.17212	1.9
371.16428	0.5
375.15900	0.6
377.17593	1.1
379.14932	2.4
379.19629	1.7
387.15887	0.5
389.17569	2.6
391.15375	1.7
393.17090	1.2
399.16110	0.8
405.16931	3.7
407.13947	4.8
407.18738	3.6
409.16617	0.6
415.15323	0.8
417.17038	2.2
423.18149	2.0
433.16483	6.3
435.18240	5.5
443.15051	0.5
451.17505	6.7
452.18188	0.6
453.19141	0.7
461.15805	5.2
469.18573	0.5
471.20181	0.5
479.17026	8.9
480.17682	0.7
497.18005	9.1
498.18500	0.6
509.21606	2.8
515.18915	0.5
527.22681	6.3
528.22821	0.5
553.20801	1.0
571.21771	6.4
589.22754	100.0
590.23114	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	751.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
57.03429	0.7
61.02920	2.8
65.03952	1.1
68.99776	1.0
69.03430	1.1
70.06580	1.2
73.02898	0.8
79.05511	0.6
81.07053	0.7
85.02900	2.2
86.09708	0.6
91.03986	0.8
91.05476	1.4
93.07050	1.0
95.04942	1.0
95.08595	0.8
97.02884	1.1
98.22655	0.8
107.04953	0.6
111.04456	0.7
119.04950	2.5
121.02859	25.9
122.03181	0.6
122.12875	0.5
129.06999	0.5
131.08612	1.2
135.04366	0.7
136.86505	0.5
140.41098	0.5
145.02835	0.8
146.89774	0.6
147.03300	0.5
147.04425	1.9
149.05962	0.8
151.03925	5.2
159.08072	0.5
161.05873	0.6
163.03896	2.5
163.58199	0.5
165.05557	0.7
169.01389	0.8
173.06015	0.5
177.05556	0.6
184.85631	0.5
195.02917	1.9
202.68401	0.5
213.05464	0.9
215.07172	0.6
223.07675	0.8
227.06964	0.8
237.09137	0.8
239.07025	13.8
241.08539	1.2
251.07001	7.1
252.07822	1.7
253.08600	2.3
255.06560	1.3
257.04538	1.3
263.06973	0.7
265.04926	0.9
265.08575	2.7
266.09229	0.7
267.06537	5.9
268.07101	0.7
269.08035	2.5
271.06540	0.5
277.08609	2.2
279.06601	0.8
279.10193	1.1
281.08148	1.7
283.06030	3.1
283.08905	0.7
289.08691	0.7
291.10065	1.2
293.08093	1.5
295.05972	1.9
295.09412	0.8
305.07944	1.0
307.06030	0.7
309.07550	1.6
311.05698	1.3
321.07492	1.0
335.16425	4.3
337.18216	0.7
361.17975	1.3
363.15955	7.4
365.17627	1.8
377.17554	1.1
379.15280	2.5
379.19211	2.1
389.17804	2.6
391.15509	1.2
393.17062	0.8
405.17093	5.1
407.14001	5.0
407.18781	3.6
409.16647	1.0
415.15390	0.7
417.17065	2.0
423.18149	2.0
433.16483	6.9
435.18170	5.6
451.17453	7.7
452.18542	0.6
453.19443	1.4
461.16138	4.3
471.19968	1.1
479.16986	11.0
497.18048	9.5
498.18719	0.7
509.21725	1.6
515.19379	0.7
527.22736	6.7
553.20557	1.4
571.21722	6.5
587.08276	0.7
588.08490	0.7
589.22742	100.0
590.23077	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	752.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.1
54.54134	0.1
61.35538	0.1
68.37800	0.1
68.99782	0.3
70.06596	0.6
71.14202	0.2
72.85691	0.1
75.02544	0.1
81.56678	0.1
84.04491	0.3
86.09663	0.2
91.05473	0.2
94.02922	0.5
95.01324	2.1
97.02905	0.2
107.04953	0.1
112.03954	1.5
119.04924	0.5
122.02374	0.5
123.00808	0.3
123.04420	0.2
140.03416	18.5
141.01891	0.1
141.03763	0.2
146.02342	0.1
147.04407	1.9
166.13512	0.1
168.02910	100.0
168.99870	0.3
169.01311	5.3
169.03218	1.5
187.02350	0.5
197.47063	0.1
246.07600	0.6
288.08643	43.5
289.06857	8.5
290.07507	0.2
571.30695	0.1
588.77039	0.1
611.73792	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
55.01869	6.1
55.05509	14.6
57.03427	6.0
57.07101	1.1
61.02925	4.8
61.89246	0.9
65.03944	3.0
67.05500	27.1
68.99783	3.3
69.03423	34.4
69.03798	1.9
69.07060	20.4
71.01366	1.6
71.04988	12.2
73.02905	3.1
79.05488	17.4
81.03410	51.9
81.07048	54.1
83.01350	1.6
83.04973	9.5
83.08607	10.9
85.02897	52.1
85.06528	6.4
87.00820	21.1
87.04465	2.5
89.06031	3.0
91.03948	1.2
91.05471	21.7
91.49147	1.0
91.82036	1.0
93.07040	24.4
95.04952	8.6
95.08597	53.7
97.02884	34.5
97.03480	2.1
97.06523	11.4
97.10172	4.8
99.04440	11.7
99.08093	5.5
101.06042	1.6
103.03960	1.6
103.05458	1.6
105.01849	14.5
105.07018	24.4
107.04969	4.3
107.08589	11.8
108.04507	1.5
109.02868	47.4
109.06525	5.7
109.10146	11.9
111.04430	4.9
111.08081	2.8
113.09653	1.5
115.03944	1.8
115.05502	1.9
117.01874	1.6
117.07013	5.8
117.13238	1.0
119.08570	26.4
121.02863	2.4
121.06479	6.3
121.10145	8.2
123.04452	3.2
123.08084	5.5
123.11713	1.4
125.02310	2.0
125.05986	1.6
125.09647	1.3
127.03903	59.1
129.01797	1.7
129.07060	1.5
131.08543	6.8
133.06442	7.0
133.08601	1.7
133.10112	16.4
135.08028	6.4
135.11668	10.4
137.05991	2.3
137.09641	3.6
137.13254	4.9
139.03889	1.5
139.07562	2.9
143.08516	3.7
145.04968	9.2
145.06488	1.5
145.10103	5.0
147.04454	1.6
147.08070	3.0
147.11696	2.7
149.05939	3.1
149.09627	2.4
149.13263	1.4
151.07512	12.4
153.09097	1.8
155.08614	1.5
157.10118	2.6
159.02904	5.1
159.08089	1.6
159.11699	4.6
161.09581	1.9
161.13249	38.0
163.07585	2.4
163.11177	1.5
165.05435	1.3
165.12715	1.5
171.11720	1.9
173.09618	1.9
173.11748	4.2
173.13298	3.8
175.07512	1.7
175.11092	1.2
177.12787	3.1
179.14296	46.8
183.11737	1.8
185.09573	1.2
185.13278	2.6
187.06000	1.6
189.03874	1.9
189.05443	1.4
189.12801	1.7
191.14346	1.8
193.04927	1.8
195.11688	1.3
195.13846	2.1
197.15338	16.2
201.12741	1.4
203.14220	1.4
207.13826	2.7
209.13489	1.1
209.15439	2.7
213.03935	5.6
213.12752	1.4
213.14830	1.3
215.16365	3.2
219.13908	3.0
221.15396	3.9
223.17087	1.4
225.12781	1.9
225.14792	6.1
226.61047	1.1
227.23782	1.2
231.04919	7.1
233.15396	1.9
235.06049	1.4
235.13495	1.3
235.16704	1.2
236.21898	1.1
237.14867	6.0
239.16425	3.7
245.15393	2.2
249.14763	1.2
251.16467	3.8
255.15846	2.8
259.16962	2.2
261.14868	1.8
263.16434	6.1
269.15268	2.6
275.16373	2.4
277.18018	3.7
281.17456	2.5
287.16367	17.4
288.16852	1.8
288.50592	1.3
293.17493	2.7
305.17426	44.5
323.18497	100.0
324.18744	3.6
341.19562	74.4
342.19830	3.3
347.18472	1.3
359.20673	6.4
365.19714	1.0
409.18567	2.6
427.19437	3.1
431.20868	1.9
433.29266	1.6
449.21600	2.5
451.17764	2.5
525.19745	1.5
535.21783	5.0
553.22455	4.3
571.23816	3.8
582.27332	1.2
675.25879	1.3
681.82788	1.1
752.42853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	63.6
69.78028	3.4
71.42368	3.9
85.06251	3.7
85.84207	4.3
87.04466	25.6
89.06033	100.0
91.05499	7.0
105.07001	5.8
116.05905	3.6
117.03358	6.4
119.08592	8.3
121.06479	20.3
129.49265	3.5
131.07028	12.2
133.08594	74.4
133.10149	4.1
145.02863	11.4
146.59926	3.6
147.06715	3.7
147.08055	10.8
149.09593	6.6
150.06793	4.6
165.09135	5.6
175.09752	7.9
177.05498	17.3
177.11258	25.5
191.10777	4.0
197.05783	3.7
209.11780	3.9
228.21983	3.8
233.19034	19.6
253.22713	3.9
277.21643	33.9
321.24326	9.6
332.31268	4.2
559.36322	4.3
623.48206	4.2
735.49353	5.1
752.50916	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	753.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07205	0.1
56.48527	0.1
60.38527	0.1
65.03911	0.2
69.43298	0.7
70.06530	0.4
78.24341	0.1
81.03388	0.2
84.08082	0.2
86.09655	0.3
92.69089	0.2
98.22758	0.3
98.51461	0.1
98.99950	0.1
108.57613	0.1
110.07088	0.2
148.05083	0.2
150.03073	0.3
151.03813	0.2
165.01764	0.1
171.51981	0.1
174.03041	0.4
184.05092	0.2
185.05885	0.2
201.05414	1.1
202.06238	1.8
212.04697	0.2
213.05403	0.6
229.04977	1.3
230.05734	2.3
231.05933	0.2
241.04933	0.3
243.02864	0.5
244.03593	0.2
253.90587	0.1
257.04468	1.2
258.05197	7.3
259.05688	0.3
268.03644	0.8
269.04391	0.4
285.03888	0.5
286.04678	25.4
287.05103	1.1
295.95401	0.1
301.07028	100.0
302.07397	3.6
343.07947	0.2
383.11185	0.5
505.13358	10.8
506.13919	0.8
549.12341	12.0
550.12775	0.7
753.18762	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	754.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
55.05503	5.6
57.03440	2.2
61.02923	0.7
65.03931	0.6
67.05496	2.2
69.03443	0.6
69.25684	0.6
69.26070	1.7
71.04984	0.4
83.04971	44.7
84.05287	0.5
85.02895	100.0
86.03220	1.0
87.04452	2.3
89.03944	0.4
89.06016	1.7
93.87553	0.4
99.04443	0.4
101.06001	0.6
105.60392	0.4
111.04431	28.4
117.03375	1.7
121.02882	0.5
127.03905	6.0
129.05469	13.9
133.08554	0.7
145.02820	6.4
149.05911	0.7
153.05513	0.4
171.06503	93.0
172.06824	1.2
177.05450	20.6
178.05771	0.5
195.06499	0.4
196.44812	0.4
231.08615	12.4
232.08972	0.6
268.66019	0.3
339.10760	4.4
355.51584	0.4
542.08429	0.4
569.17981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99181	0.4
55.05509	5.1
56.49009	0.4
57.03430	1.3
61.02932	0.3
65.03942	0.7
65.53600	0.4
67.05499	2.7
69.03436	0.6
71.04974	0.7
83.04974	47.7
84.05306	0.6
85.02898	100.0
86.03219	0.9
86.77834	0.3
87.04462	1.3
89.03895	0.8
89.06030	1.2
97.02883	0.6
109.02829	0.4
111.04437	26.5
112.04771	0.6
117.03370	2.1
127.03905	5.7
129.05461	12.6
130.29552	0.4
145.02829	6.0
147.04346	0.5
147.67952	0.4
149.05945	0.8
171.06512	96.2
172.06836	1.9
177.05452	14.0
183.35454	0.4
231.08612	8.8
339.10724	0.7
625.09088	0.4
754.25562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98740	0.6
59.04999	100.0
69.03433	1.2
70.69592	0.6
71.04976	1.0
71.42848	0.7
73.02913	2.5
73.06552	6.6
73.96453	0.6
76.56952	0.7
87.04466	24.0
89.06027	89.5
90.06390	0.8
96.19418	0.6
103.07577	77.7
104.07875	1.1
107.07066	1.3
113.05997	0.8
115.07527	0.8
117.09128	6.2
131.07053	5.1
133.08598	52.8
146.67363	0.7
147.10155	30.4
148.10432	0.8
155.37810	0.7
161.11719	2.4
175.09703	3.4
177.11217	18.4
179.16394	0.7
191.12749	1.9
219.12140	1.0
221.13785	2.1
239.14897	0.8
248.25256	0.8
265.16367	1.1
268.46805	0.7
737.43781	2.2
754.47266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
57.03429	0.2
61.02942	0.2
62.01588	0.3
62.46242	0.1
63.02348	1.3
67.61505	0.2
68.99789	0.3
69.03424	0.6
77.03923	0.2
78.04704	0.9
79.05483	0.2
81.03397	0.3
85.02892	0.6
89.03908	17.4
91.05468	1.0
93.03409	0.2
93.07036	0.2
95.04961	0.9
97.02876	0.2
98.22686	0.4
103.03925	0.2
103.05458	1.3
105.02680	0.2
105.03383	4.5
105.04484	0.2
106.04176	0.8
107.04935	0.3
109.02858	0.4
115.05464	0.8
117.03368	38.4
118.03704	0.5
119.04913	0.5
121.06475	0.2
124.05166	0.3
127.03909	0.4
129.03360	0.5
129.04462	0.2
131.04933	1.0
134.03616	2.7
135.04401	2.1
137.05988	0.5
143.04903	0.6
145.02832	82.9
146.03139	1.3
147.04401	0.7
149.05968	11.5
151.03917	0.2
159.04391	0.7
160.05171	0.3
161.05931	0.2
162.03119	0.4
163.03925	1.1
163.07477	0.2
175.03848	0.3
175.07536	0.6
176.04483	0.2
177.05450	100.0
178.05804	1.9
179.03384	0.3
181.04962	0.2
181.06400	0.2
186.05481	0.9
187.03969	0.4
187.07558	0.3
189.01805	0.9
189.05409	0.5
191.03369	1.3
194.02353	0.2
195.02893	0.4
195.06499	0.2
196.66501	0.2
197.05890	0.2
201.01656	0.2
201.05441	2.1
203.03433	0.8
205.04924	0.5
207.02875	0.6
207.06282	0.2
209.04451	0.4
215.07065	0.3
217.04953	0.4
219.02846	0.7
219.06541	2.2
229.04926	0.3
231.02884	0.2
235.07346	0.2
236.08359	0.2
239.07036	0.3
243.06522	0.3
251.06958	0.6
252.07819	1.0
253.04691	0.3
255.06541	0.4
257.04483	0.3
263.07004	0.7
264.07599	0.3
265.08627	1.4
267.06525	2.1
268.07254	0.9
275.07184	0.4
277.08517	0.6
278.05716	2.5
279.06491	6.6
280.07150	0.9
281.05133	0.3
281.07968	1.5
285.07581	0.2
289.08456	0.4
291.06476	8.2
292.07239	3.1
293.04666	0.3
293.08029	5.3
294.08334	0.2
297.07523	5.4
301.08334	0.2
302.09363	0.2
303.06427	1.2
304.06995	0.4
305.04379	0.5
305.07974	2.8
306.05417	0.3
306.08673	1.0
307.05994	0.5
307.09552	0.8
309.07529	8.7
310.07712	0.3
313.08368	0.2
315.10059	0.2
317.08041	1.0
318.08789	0.2
319.05933	0.4
319.09601	1.0
320.06708	0.3
321.07498	14.2
322.07773	0.6
323.05524	0.4
323.09064	0.6
329.07996	0.3
331.05954	0.4
331.09509	1.8
333.03830	0.3
333.07538	3.1
335.05368	0.3
335.09076	2.3
339.08426	2.1
339.10760	1.9
345.07507	1.9
345.11252	0.3
345.16818	0.5
347.05362	0.2
347.09079	0.7
348.10458	0.2
349.06870	0.2
349.10800	0.2
351.08453	0.9
357.07458	0.5
359.09085	1.1
361.10986	0.2
363.08585	4.8
364.08939	0.3
369.07520	0.5
373.10745	0.2
375.08542	2.7
377.10025	0.2
379.09335	0.3
381.09756	0.8
383.09079	0.2
387.08536	2.7
391.09174	0.2
393.09735	1.8
397.10706	0.3
399.10901	2.2
405.09631	4.3
407.09265	0.5
408.09805	0.5
409.10608	0.3
411.10910	1.0
413.12112	0.3
417.11801	2.7
421.10342	0.4
423.10696	3.1
424.09592	0.2
425.10269	1.1
426.10974	0.4
429.09579	0.7
433.10867	0.2
436.09155	0.4
437.10019	0.4
439.11893	0.8
441.11761	10.8
442.12067	0.5
447.11078	0.2
451.11685	1.4
453.09183	0.3
454.04175	0.2
454.10367	0.2
455.11057	0.5
459.07645	0.2
459.12875	2.6
461.10052	0.2
465.11850	1.7
467.11142	0.7
469.12799	2.6
477.11798	0.2
479.11136	2.4
483.12030	0.9
489.11835	0.3
493.12338	0.6
495.12711	0.8
497.12228	6.1
498.12393	0.4
507.12808	1.6
509.12418	0.2
515.13324	4.5
516.12939	0.3
521.12262	0.8
525.14081	1.1
535.13440	0.3
539.13159	0.4
543.14929	1.2
544.14618	0.2
551.13165	0.3
561.15973	0.9
563.13477	1.2
569.14093	0.3
579.16882	0.4
581.14423	1.3
599.15424	3.8
600.15930	0.4
617.16467	3.8
618.16467	0.3
635.07080	0.3
635.17560	6.5
636.17371	0.3
683.18207	0.2
701.18066	0.4
719.19287	0.4
737.19666	0.5
755.21002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
63.02386	1.0
69.03423	0.8
70.06583	0.7
78.04711	0.5
81.03403	0.7
85.02902	0.8
89.03915	11.9
91.05470	1.0
95.04952	1.2
97.02901	0.9
99.04513	0.3
100.07521	0.3
103.05466	1.4
105.03390	3.7
106.04163	0.7
107.04982	0.6
109.02911	0.4
112.08704	0.4
115.05411	0.5
117.03374	30.0
119.04917	0.6
121.06463	0.5
127.03978	0.3
129.03340	0.5
131.04924	1.4
134.03604	2.0
135.04413	1.7
145.02841	62.0
146.03197	1.0
147.04375	1.8
149.05980	8.4
151.03879	2.2
163.03835	0.8
171.04338	0.4
175.03778	0.4
177.05461	100.0
178.05826	1.7
181.04904	0.5
184.50356	0.4
186.05482	0.9
189.01787	0.6
189.05443	0.4
191.03365	0.6
195.02769	0.8
199.03899	0.3
201.01756	0.6
201.05418	1.5
203.03360	1.2
205.04945	0.5
207.02928	0.5
215.31290	0.4
217.04889	0.8
219.02899	0.7
219.06496	1.0
221.04387	0.4
229.04823	0.4
231.02867	0.5
241.72807	0.3
251.07088	0.5
252.07722	0.7
253.05202	0.4
255.02879	0.5
263.07080	0.5
265.08484	1.1
267.06503	2.4
268.07184	0.9
271.05984	3.0
278.05743	2.9
279.06509	11.0
280.06931	0.6
281.07980	0.9
289.08286	0.5
291.06519	6.6
292.07327	1.7
293.04605	0.8
293.08011	3.5
295.05966	1.2
297.07532	3.7
303.06509	1.2
304.07242	0.9
305.08066	4.3
306.08731	0.9
307.05908	0.9
307.09442	0.7
309.07565	6.0
317.08087	1.6
319.06409	0.5
319.09482	2.1
321.07452	8.9
322.07745	0.6
323.08994	0.5
331.09579	1.3
333.07498	5.9
334.08008	0.5
335.09082	1.9
337.07147	0.4
339.08279	1.3
339.11240	0.7
344.06506	0.3
345.07562	3.5
347.09113	1.1
349.10828	0.6
351.08511	1.3
356.10507	0.4
357.07346	1.0
359.09006	1.2
361.07281	0.5
363.08603	5.5
366.09720	0.4
371.09134	0.6
375.08640	4.8
377.10117	0.5
381.09518	0.8
385.10696	0.5
387.08603	2.5
389.10092	0.4
391.08447	0.4
393.09573	3.3
399.11127	2.0
401.10107	0.4
405.09595	2.8
411.10858	2.1
417.10440	1.2
423.10779	2.9
425.09918	0.5
429.09729	2.0
435.10403	0.8
441.11807	6.7
447.10651	1.3
453.09738	0.5
459.12369	1.7
465.11859	2.8
467.12781	0.6
469.12399	1.0
471.10571	0.6
477.11548	1.4
479.11127	0.8
483.12512	0.6
489.11453	1.3
495.12891	1.7
497.12363	2.2
502.10745	0.3
507.12808	3.0
515.13403	1.8
525.13739	2.3
539.13446	0.7
543.14648	1.2
561.15796	0.7
561.71326	0.3
563.13452	0.5
581.14417	0.8
587.14825	1.1
599.15594	1.9
605.15570	1.1
617.16791	2.2
635.08746	0.4
635.17615	4.2
641.16071	0.8
653.15887	0.4
659.17255	1.0
683.17230	0.9
701.18683	0.6
719.19373	0.9
737.20184	0.6
755.22791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30870	0.2
58.08765	0.2
59.36126	0.2
63.02385	0.9
69.03426	1.8
71.22655	0.4
75.64715	0.2
77.03944	0.2
78.04711	0.4
85.02906	0.7
89.03912	9.8
91.05470	0.3
95.04942	0.4
103.05463	1.0
105.03383	3.4
105.04476	0.3
106.04158	0.5
109.02876	0.3
113.74718	0.2
115.05459	0.6
117.03373	25.8
118.03683	0.3
119.04958	0.4
119.44884	0.2
124.05231	0.3
124.67019	0.2
127.03902	0.6
129.03345	0.5
131.04907	0.5
134.03642	2.0
135.04420	1.6
137.05989	0.5
143.04869	0.3
145.02841	65.7
146.03111	1.1
149.05974	8.2
158.05980	0.2
159.04405	0.7
160.05188	0.7
161.05862	0.2
162.03032	0.5
163.03886	0.7
163.07559	0.5
165.01872	0.3
173.02328	0.3
175.07565	1.5
177.05460	100.0
178.05798	1.7
179.03447	0.2
186.05444	0.5
187.03856	0.5
189.01753	1.1
189.05516	0.5
191.03398	1.1
195.06561	0.4
201.05527	0.8
203.03395	0.8
205.04929	0.6
207.02882	0.8
215.03209	0.3
215.07080	0.3
219.03113	0.3
219.06500	4.1
229.04901	0.4
231.06363	0.3
251.07109	0.6
252.07805	0.3
255.06342	0.4
257.04459	0.3
261.07544	0.5
263.06934	0.5
265.08575	0.6
267.06500	3.8
268.07141	0.6
275.06921	0.4
277.08456	0.3
278.05688	2.5
279.06488	7.2
280.07007	0.6
281.07962	0.5
285.07315	0.3
289.08682	0.5
291.06473	9.3
292.07224	2.0
293.04703	0.5
293.07983	2.5
297.07553	6.5
297.10382	0.1
297.10928	0.3
303.06442	1.8
304.07324	0.4
305.07971	2.3
306.08832	0.9
307.06009	0.5
307.09610	0.7
309.03812	0.2
309.07526	5.3
317.08084	1.8
319.06009	0.5
319.09537	0.8
321.07425	11.7
322.07831	0.4
329.08023	0.4
331.09720	1.2
333.07504	2.5
335.09158	2.4
339.10828	10.0
340.10913	0.6
341.08228	0.3
344.06848	0.3
345.07571	2.0
347.08987	0.9
349.10645	0.4
351.08554	0.8
357.07477	0.6
358.08145	0.3
359.09216	1.2
363.08624	5.9
369.07483	0.8
371.09027	0.3
375.04404	0.3
375.08633	3.1
381.09659	0.7
387.08606	2.6
393.09558	0.8
399.10733	1.8
405.09564	2.0
411.10336	0.8
421.10327	0.3
423.10638	1.4
425.09933	0.3
426.11249	0.3
429.09961	0.2
439.11658	1.3
441.11938	1.8
465.11728	1.5
467.11319	1.4
469.12527	0.7
479.10910	0.6
485.12274	3.9
489.11832	0.3
493.12546	0.4
495.12820	0.3
497.06198	0.3
497.12332	3.8
507.12570	0.7
515.13354	8.5
516.13312	0.5
521.12085	0.4
525.14453	0.4
539.13336	7.2
540.13538	0.3
543.13953	0.3
551.13092	0.6
563.13232	1.8
569.14246	3.1
570.14716	0.4
581.14478	4.1
582.14178	0.5
587.14594	0.4
593.16077	0.3
599.15387	3.5
605.16467	3.8
606.16742	0.4
617.07001	0.3
617.16473	5.6
618.16907	0.3
635.17584	3.7
659.17590	4.1
671.16541	0.4
689.17828	0.8
701.18243	0.9
719.19543	1.7
737.19525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04138	0.3
58.10900	0.2
60.92602	0.2
69.32162	0.7
73.02808	1.3
73.06487	0.4
75.94576	0.2
80.05412	0.5
87.04353	1.9
89.05912	6.8
90.06235	0.7
98.22697	0.4
102.06731	0.2
117.08972	0.3
124.08028	0.3
125.53263	0.2
131.06998	0.3
133.08589	4.0
134.08824	0.6
151.03789	0.2
153.04904	0.2
169.44142	0.2
175.09477	0.3
177.11224	1.3
177.61180	0.3
178.11465	0.3
208.25142	0.2
221.13676	0.3
237.13228	0.6
243.06183	0.2
255.14328	0.3
280.13513	0.2
305.07782	3.3
306.08481	0.2
358.21045	0.2
378.10297	0.4
379.11469	100.0
380.11887	4.1
399.19849	36.8
400.20273	1.7
463.70761	0.2
543.31531	0.2
637.90332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.3
55.05509	14.9
57.03432	7.6
57.35408	1.1
59.58962	1.1
62.70998	1.2
65.03925	1.2
65.11897	1.1
67.05501	17.1
69.03425	4.0
69.07047	6.0
69.67606	4.7
71.04985	3.2
71.21125	1.2
76.87744	1.3
79.05486	20.8
81.03416	48.7
81.07053	18.0
83.04989	6.2
83.08620	15.9
83.84893	1.2
85.02879	4.9
91.05477	15.5
93.07043	14.6
95.04963	20.3
95.08620	8.8
97.02878	3.1
97.06530	3.4
97.10158	14.7
105.07033	13.1
105.72686	1.3
107.04948	16.0
107.08594	10.7
109.06506	9.6
109.10139	6.0
111.04436	2.5
111.08055	3.3
115.05408	2.2
116.29797	1.2
117.07008	5.3
119.08585	12.2
121.02865	2.1
121.06487	10.3
121.10168	6.7
122.30687	1.2
123.04456	2.5
123.08050	6.2
123.11721	1.8
125.09618	14.6
129.05493	2.2
129.06995	7.5
131.04909	1.9
131.08542	9.9
133.06477	4.7
133.10118	5.6
135.08038	5.5
137.09596	2.3
139.11076	1.2
143.08569	2.8
145.06514	6.6
145.10112	4.6
146.64459	1.2
147.04398	3.7
147.08023	5.5
147.11658	7.0
149.09644	6.4
153.03159	2.1
153.09102	4.5
155.08672	1.5
157.06456	2.1
157.10139	7.1
159.08014	2.5
159.11667	2.4
161.06004	2.0
161.09685	1.3
163.11215	2.7
165.09096	5.1
169.06548	1.8
169.10167	1.8
171.06537	3.0
171.08008	2.0
171.11710	1.9
172.06880	1.5
173.09558	1.5
175.11186	5.0
177.05460	1.6
177.12704	2.2
187.11247	3.1
187.14815	2.8
189.11209	5.5
189.12735	2.4
191.14343	2.1
193.12228	14.5
195.11688	1.9
197.13214	1.6
199.11221	1.4
201.12700	1.5
205.12202	2.7
215.14276	2.7
217.12497	1.6
219.13779	3.4
227.12573	2.9
233.15384	3.0
235.13321	1.8
237.12752	2.0
249.14908	1.7
255.13716	2.1
267.15878	43.1
273.14783	6.3
339.23148	3.0
349.21674	4.6
357.24225	2.2
363.50180	1.2
367.22598	15.3
385.23727	21.5
386.24188	1.4
399.68378	1.3
403.24915	9.2
423.25958	1.5
441.26199	10.0
459.27377	100.0
460.27802	7.7
477.28473	91.5
478.28802	5.4
491.29858	12.4
501.28647	2.3
509.31009	4.6
541.33240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01865	1.2
57.03427	0.5
61.02919	0.9
68.99786	1.0
69.03421	3.9
69.85578	0.8
70.43031	0.3
73.02915	0.7
81.03411	6.5
83.04973	0.3
85.02402	0.4
85.02901	6.0
87.00813	1.6
89.03939	0.6
95.04984	0.4
96.40633	0.3
97.02879	2.7
99.04430	1.3
103.03939	1.1
105.01871	0.9
107.04961	0.4
109.02873	4.6
111.00764	0.7
111.04408	0.5
117.01854	0.4
117.03355	0.4
121.02868	0.4
123.04422	1.2
123.21866	0.3
124.98577	0.3
127.03020	0.5
127.03914	6.9
129.01849	0.4
133.02861	0.5
135.04390	1.9
137.02335	100.0
137.03398	5.6
138.02640	1.5
139.03915	2.3
145.04924	2.1
147.04393	1.3
149.02379	0.4
151.03900	3.2
159.02899	0.7
159.04434	0.4
161.02295	0.4
163.03889	2.6
169.05063	0.5
175.03870	1.3
177.01849	1.0
177.05383	0.3
179.03375	10.6
180.03784	0.3
187.03883	0.5
187.06015	1.3
189.05473	0.4
191.03374	0.4
193.04895	1.0
195.02797	0.5
201.05522	0.5
203.03386	5.0
205.07019	0.5
213.05569	0.6
217.04916	0.8
219.02910	0.3
221.04349	0.5
223.04053	0.3
229.04904	0.7
231.04823	0.3
235.06035	0.6
241.05070	0.7
245.04416	1.1
251.03406	0.4
257.04440	0.3
259.05954	1.1
269.04459	0.8
277.69620	0.3
283.05917	0.5
287.05460	8.5
288.05789	0.6
289.07138	0.3
295.06113	0.5
299.05527	1.4
300.06226	0.8
301.07187	0.4
303.04938	0.8
305.06512	26.7
306.06900	1.1
307.93112	0.3
311.05408	2.7
313.07089	0.4
325.07016	0.9
329.06525	9.7
330.06631	0.3
339.08679	0.6
347.07590	3.3
349.07291	0.3
353.06485	2.9
367.08041	0.4
371.07587	3.6
377.06616	0.9
395.07568	4.7
413.08691	1.1
419.07388	0.4
437.08539	0.5
446.60117	0.3
455.09409	1.6
473.10730	3.6
491.11777	4.2
499.08951	0.4
517.09772	1.1
535.10687	1.4
656.87097	0.3
739.17200	0.6
759.17383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01860	1.7
57.03418	0.8
60.06963	0.3
61.02909	0.9
68.99785	1.1
69.03425	3.8
70.70458	0.3
70.70773	0.3
71.01338	0.3
71.04990	0.3
81.02962	0.4
81.03413	7.2
85.02904	5.8
87.00835	1.9
89.03891	0.5
97.02872	2.7
99.04459	1.3
103.03947	1.0
105.01849	0.7
105.03356	0.4
107.01315	0.6
107.04963	0.4
109.02870	5.0
111.00788	0.5
111.04404	0.4
117.03314	0.4
120.29903	0.2
121.02843	0.3
123.04417	1.0
124.58710	0.3
127.03909	7.0
129.01840	0.5
133.02869	0.4
135.04413	2.0
137.02339	100.0
137.03415	6.8
138.02695	1.5
138.03671	0.3
139.03894	3.0
144.98622	0.3
145.04919	1.2
147.04404	0.8
149.02347	0.5
151.03893	2.9
155.95404	0.3
159.02902	0.9
161.02328	1.0
163.03882	2.4
167.03419	0.3
169.04955	0.4
175.03909	1.4
177.01765	1.2
177.05473	0.6
179.03384	10.2
180.03613	0.3
180.75478	0.3
181.06453	0.3
185.05957	0.3
187.05998	1.2
189.05417	0.3
191.03333	0.3
192.04198	0.5
193.04987	0.6
195.02888	0.7
201.05396	0.3
203.03377	5.1
205.07039	0.6
213.05472	0.6
217.04900	0.8
219.02950	0.4
221.04459	0.4
229.04938	0.6
231.06683	0.4
241.04977	0.7
244.57896	0.3
245.04375	0.6
251.03413	0.3
253.05324	0.3
255.06619	0.7
259.06155	0.8
265.04935	0.3
267.06595	0.5
269.04407	0.8
279.06329	0.3
283.06076	0.6
287.05472	8.2
288.05972	0.4
299.05591	1.5
300.06097	0.7
301.07001	0.3
305.06531	24.9
306.06870	0.9
311.05573	1.9
324.06198	0.4
325.07230	0.4
329.06516	9.1
330.06900	0.5
339.08527	0.6
341.06601	0.3
347.07632	3.1
353.06580	2.6
367.07889	0.4
371.07608	3.5
377.06558	0.6
395.07672	4.9
404.26343	0.3
413.08667	1.2
419.07611	0.5
437.08612	0.4
455.09674	1.0
473.10809	3.4
491.11777	3.5
499.08676	0.5
515.12219	0.4
517.09656	1.1
535.10437	1.2
561.75049	0.3
739.16425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
54.21803	0.3
55.01860	1.0
55.76755	0.3
55.93253	0.3
57.03418	0.6
61.02917	0.6
63.19351	0.3
65.58395	0.2
68.99788	1.0
69.03431	3.7
69.11450	0.8
69.11858	0.9
70.06580	0.9
71.04980	0.5
73.02896	0.7
81.03414	7.0
84.08114	0.3
84.81425	0.3
85.02904	5.0
87.00823	1.1
89.03903	0.5
89.26007	0.3
95.04926	0.4
97.02892	2.5
99.04422	1.4
103.03945	0.5
105.01853	0.4
107.01297	0.4
107.04949	0.6
109.02863	4.0
111.00798	0.6
116.39418	0.3
117.03339	0.3
121.02893	0.4
123.04425	1.0
125.02359	0.4
127.02395	0.3
127.03911	6.9
129.01834	0.4
129.10272	0.3
133.02802	0.4
135.04417	1.7
137.02341	100.0
137.03418	6.0
138.02667	1.6
139.03891	3.5
145.04961	0.9
147.04448	1.3
149.02332	0.7
151.03917	2.7
151.05072	0.4
159.02914	0.4
161.02353	0.4
163.03899	2.1
175.03947	1.1
176.91873	0.3
177.01846	1.1
177.05499	0.5
179.03387	8.7
181.05017	0.3
185.06097	0.4
187.06006	1.8
189.03922	0.3
189.05505	0.3
191.03389	0.5
193.05026	0.6
195.02872	0.7
203.03371	4.1
205.07132	0.7
213.05455	0.6
217.05078	0.6
221.04526	0.4
229.04836	0.5
245.04465	1.0
259.06049	1.0
267.06598	0.5
269.04535	1.0
272.06714	0.4
287.05466	8.1
299.05475	2.0
300.06177	0.4
301.06845	0.3
303.04999	0.3
305.06543	26.0
306.06754	0.6
311.05466	2.0
325.07007	0.5
329.06534	7.3
339.08890	0.4
347.07654	2.2
353.06497	2.2
367.07999	0.4
371.07651	2.3
377.06454	0.6
383.07645	0.5
395.07593	2.9
413.08640	1.1
455.09689	1.3
473.10727	2.3
491.11771	1.4
501.27472	0.3
517.09753	0.9
535.10919	1.5
591.53271	0.3
670.45880	0.4
670.89563	0.3
739.16992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66773	0.6
57.03415	0.8
63.02373	1.2
65.03934	0.5
68.96586	0.5
69.03422	1.2
69.37207	2.5
70.29810	0.5
70.42460	0.5
75.39270	0.6
79.05481	2.4
81.03410	0.7
85.02890	2.1
89.03915	13.4
91.05479	1.0
95.04951	0.9
96.72734	0.6
97.02879	0.6
103.05485	1.4
105.07001	0.7
107.04953	4.6
109.02876	1.3
117.03385	12.0
119.04927	2.4
121.02857	8.4
127.03886	0.9
131.04915	3.8
135.04413	23.1
136.04646	0.7
145.02847	20.7
147.04393	1.0
149.06027	0.7
151.03905	2.4
159.04410	1.3
161.06050	0.6
163.03897	100.0
164.04214	1.8
175.03880	0.7
177.05457	1.3
177.09079	0.7
179.03346	1.3
181.04974	1.2
182.72771	0.5
187.03865	5.2
189.01808	1.3
191.03418	2.7
195.02892	1.0
203.03421	0.8
203.07077	0.6
205.04929	1.2
207.02957	1.7
209.04433	0.7
217.08537	0.7
219.02930	2.0
253.08617	0.9
257.04221	0.6
267.06601	0.8
268.07376	1.2
271.05988	1.3
273.96954	0.6
279.06522	1.0
281.08057	2.1
283.05984	3.3
284.06754	2.0
291.06747	0.6
293.04282	1.3
294.05179	6.5
295.06015	11.5
296.06583	2.0
297.07574	3.0
299.05536	0.7
304.07446	0.6
305.07852	0.8
307.05957	14.5
307.09241	1.1
308.06894	5.4
309.07480	7.2
311.16437	2.0
313.07062	8.5
319.05927	2.4
321.07510	6.0
322.08246	1.4
323.05548	1.0
323.09091	1.1
325.06564	11.9
329.17444	3.4
333.07639	2.0
335.09164	1.2
337.07040	30.1
339.08701	0.8
346.47519	0.7
347.09128	1.4
347.18509	2.6
349.06924	4.4
351.08658	3.7
355.08051	9.5
361.07089	2.4
363.08511	1.4
365.10043	1.7
367.08112	1.8
373.07059	1.2
375.08658	1.2
379.08014	9.0
391.08160	4.2
393.09384	1.0
397.09180	1.5
403.07968	4.4
409.09073	5.0
415.10489	4.6
421.09161	5.7
427.09564	1.9
433.11288	7.5
439.10294	6.0
441.09738	0.7
453.09833	1.4
457.11270	27.4
458.11502	1.4
463.10178	0.8
469.09064	0.9
471.10663	2.2
475.12302	13.2
481.10751	4.5
485.08475	0.8
499.10437	6.4
505.10928	0.7
511.11844	1.9
517.11310	8.9
523.11511	2.8
529.12921	0.9
541.13318	3.4
542.13403	0.7
559.14526	4.0
564.63208	0.7
565.11395	0.9
571.12097	0.6
577.15509	5.1
583.12531	1.6
595.15997	1.2
601.13367	6.0
619.14453	8.6
637.15460	16.3
638.15350	0.7
739.18140	1.7
757.19739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03724	1.2
53.03946	10.7
55.01870	6.0
57.03433	5.2
61.02922	5.1
65.03941	2.4
67.05502	1.2
68.99775	4.9
69.03427	42.7
69.41032	3.8
70.56805	0.8
71.01367	1.2
71.04983	4.1
73.02911	5.5
81.03413	51.5
82.03742	1.8
83.01327	1.2
83.04962	1.0
85.02899	45.7
86.03226	0.9
87.00818	4.5
87.04462	1.1
91.66700	0.7
93.03413	2.3
95.01311	0.9
95.04961	1.6
97.02890	28.4
98.23412	1.7
99.04449	11.4
103.03930	13.5
105.01879	3.6
105.03352	0.9
107.04970	1.9
109.02872	40.9
111.00807	2.2
111.04424	5.6
115.03917	3.4
117.03402	1.1
121.02837	0.9
123.04423	24.2
127.03909	57.8
131.04922	1.9
133.04933	0.8
135.04407	20.5
137.02335	18.7
137.03354	0.8
137.05960	0.9
139.03891	100.0
140.04202	1.9
145.04941	10.8
147.03030	1.3
147.04419	6.5
149.02374	1.8
149.05998	0.9
151.03896	11.8
157.05095	0.7
157.06461	1.2
159.02893	2.7
159.04379	1.6
161.05995	3.2
163.03893	32.3
164.04346	0.9
165.05423	1.5
167.03403	1.7
169.04997	3.7
171.04367	0.8
173.05974	2.2
175.03885	3.6
175.05997	2.3
175.07448	1.6
177.05424	5.0
177.62846	0.8
179.03398	2.6
181.04953	6.3
185.05922	1.4
187.04022	3.2
187.05998	31.0
189.05444	2.7
191.03362	2.0
191.07016	0.7
193.04932	5.3
197.06038	2.1
201.05441	3.9
202.38832	0.7
203.03397	1.1
203.07104	1.9
205.04971	8.4
205.07082	8.8
209.08185	0.9
213.05499	3.6
215.07027	1.9
217.04944	4.7
219.06511	1.7
225.05466	2.5
227.06921	1.0
229.04980	3.5
231.06493	3.4
235.05994	3.6
239.06908	1.3
241.04823	1.5
243.06557	2.6
247.05943	4.6
253.04976	1.0
259.06024	9.3
261.07581	3.3
265.07336	1.2
267.06311	1.2
271.05978	11.7
273.07660	6.0
273.16357	0.8
279.06149	0.8
283.06018	2.1
285.07623	2.5
287.05487	53.0
288.05896	1.6
289.07040	52.2
290.07397	2.0
295.05933	2.9
299.05499	1.4
301.06943	4.5
303.08417	1.1
309.07236	0.9
311.05347	1.3
313.07031	18.6
314.07364	1.4
319.08215	1.0
325.09186	4.8
327.08627	1.1
329.06470	1.1
331.08090	19.2
335.09216	1.2
337.09387	10.9
351.08133	1.9
355.07919	12.4
365.08664	1.0
367.10507	1.5
369.08304	2.7
379.08102	18.6
380.08322	1.4
384.23193	0.9
387.09198	4.4
397.09009	12.3
433.50653	0.9
439.10135	3.2
457.11246	6.4
475.12399	9.9
477.60019	1.0
491.12216	1.4
493.13339	13.6
535.10773	4.5
560.23151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01862	0.8
55.05494	0.6
57.03429	0.7
61.02919	0.8
67.05486	1.2
68.99767	0.8
69.03416	3.5
69.07084	0.4
70.06564	0.9
71.04977	0.4
71.43123	0.5
72.08153	0.8
73.02898	0.7
77.03938	0.4
79.05482	1.1
80.64554	0.4
81.03411	4.5
81.07049	1.8
85.02418	0.5
85.02906	9.2
87.00829	2.7
91.05465	1.2
93.07000	0.9
93.13345	0.4
95.04968	0.5
95.08624	2.8
97.02893	3.2
99.04449	1.7
100.07619	1.9
103.05455	1.3
105.01854	1.8
105.03367	0.5
105.07019	0.8
107.08587	6.0
109.02878	3.8
109.06507	1.3
109.10136	0.4
117.01816	0.5
117.07006	0.5
123.00789	0.6
123.04404	1.0
123.08055	1.5
124.11227	0.6
125.09595	1.7
127.03909	5.0
129.01816	0.5
131.04926	1.6
133.10118	3.4
137.05954	1.0
143.04913	0.4
143.08540	0.6
145.02928	0.5
145.04948	1.9
145.06471	1.1
149.05986	7.8
151.03864	1.7
151.11151	0.8
153.09007	0.5
155.08372	0.5
159.02885	1.2
161.05952	0.6
163.07562	3.5
165.09109	74.7
166.09483	0.9
167.03323	0.5
169.01324	0.9
169.10173	0.6
170.01576	0.4
171.19212	0.4
173.06036	0.8
175.03960	1.0
175.07527	0.6
179.10672	3.1
180.08708	1.3
183.08072	1.4
183.11693	1.5
187.07552	2.5
189.09027	0.8
191.10657	13.9
197.09578	1.0
197.13261	1.1
201.09081	1.1
203.10750	2.4
205.12236	11.3
205.14076	0.8
211.11147	3.1
213.03719	0.4
215.10675	1.7
216.11340	0.4
217.12289	2.2
217.28804	0.4
221.04399	2.1
225.12701	6.1
227.10664	0.8
229.12213	2.9
231.05032	0.9
231.13713	0.6
239.14194	1.0
239.17975	1.1
241.12131	0.6
242.13029	1.3
243.13797	7.3
257.15405	0.6
265.60107	0.4
267.17419	7.0
270.16147	0.4
271.06015	11.2
271.13193	0.5
271.16864	0.7
272.06372	5.0
273.07492	0.8
273.37845	0.5
285.07681	4.0
285.18472	37.3
286.18863	1.4
299.06061	0.5
303.19724	0.5
313.17981	7.3
325.10684	1.1
331.19022	100.0
332.19376	4.0
342.13385	0.5
415.21017	0.5
466.21979	0.6
518.15741	0.5
543.22504	1.0
579.24664	0.7
642.26074	2.0
729.05048	0.5
732.09052	0.5
758.34344	2.8
759.32819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	1.5
67.05519	0.2
71.04993	0.4
73.02914	2.4
73.06550	1.3
78.99515	0.5
87.04462	100.0
88.04811	0.9
89.06024	5.9
91.05415	0.2
95.04986	0.3
97.02904	0.2
97.06515	0.2
103.07566	1.2
107.04974	0.3
109.80186	0.2
113.00012	2.3
113.06004	0.6
115.07569	0.5
117.09129	1.0
127.01557	18.0
131.07034	3.9
133.08607	3.3
139.01532	6.6
147.04390	0.2
147.10176	0.4
153.03104	20.3
157.08652	0.2
159.10178	0.5
161.11664	0.3
167.05553	0.2
175.09586	0.8
175.44202	0.2
177.11168	1.0
183.04175	2.3
185.49240	0.2
197.05728	8.9
219.12274	2.8
221.13940	0.2
227.06825	1.0
236.88454	0.2
241.08318	2.3
259.09488	0.2
263.14941	0.3
271.09378	1.1
285.10977	1.0
299.06351	0.2
303.12152	0.3
315.12039	0.6
329.13568	0.3
345.86914	0.2
347.14499	0.3
356.75259	0.2
359.14499	0.4
391.17334	0.3
405.09326	0.4
435.19296	0.3
446.82047	0.2
475.26950	0.2
479.22525	0.2
512.81470	0.2
741.36627	1.0
746.56024	0.2
758.26129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01878	0.3
55.05506	1.2
57.03443	0.5
60.08165	0.3
67.05502	3.1
69.03406	0.2
69.07065	0.8
71.04978	0.4
73.02924	0.4
73.06546	0.7
77.03922	0.5
79.05484	5.8
81.03418	0.4
81.07042	2.4
83.08604	0.5
86.09711	1.4
87.04459	100.0
88.04797	0.9
89.06026	3.1
91.05467	6.1
93.07045	3.1
95.04961	2.6
95.08616	1.5
97.02880	0.2
97.06477	0.3
97.10170	0.3
98.22717	0.6
103.05451	3.9
105.04510	0.7
105.07018	50.5
106.07351	1.3
107.04942	1.3
107.08583	1.7
109.06543	0.3
109.10120	1.2
111.04422	0.4
113.06015	0.4
113.92538	0.2
115.05410	0.3
117.07023	1.5
117.09116	0.5
119.04931	0.5
119.08572	3.1
120.08878	0.2
121.06491	6.6
121.10121	0.8
123.08008	0.2
125.00002	0.9
125.09597	0.2
128.06194	0.5
129.06996	1.7
130.54039	0.2
131.07042	2.6
131.08543	4.4
132.05667	0.5
133.06470	0.6
133.08586	1.8
133.10172	1.4
135.08017	0.4
135.11716	1.1
137.09671	0.2
143.08536	0.4
145.06436	0.6
145.10101	1.1
147.08032	15.4
147.11671	0.5
148.08379	0.3
149.09604	3.6
155.08580	0.2
157.10107	0.5
159.11652	0.5
163.11118	0.5
165.09106	0.6
171.11626	0.3
173.09634	0.4
173.11746	0.3
173.13210	0.4
175.09637	0.6
175.11076	0.2
177.11195	0.6
181.10156	1.0
183.11609	0.3
184.07339	3.6
185.07610	0.2
191.10643	0.4
193.10620	0.4
193.12260	0.3
207.11707	0.3
209.11693	0.7
211.14809	0.2
219.12242	3.0
219.14220	0.3
222.10349	0.3
223.11119	0.8
225.12718	6.6
227.12769	0.4
227.16299	0.2
229.14177	0.4
249.12738	1.3
251.14372	1.2
253.14125	0.3
255.15884	0.4
261.22012	0.4
269.15295	1.6
271.15305	0.2
283.15396	1.6
301.16431	0.5
311.16409	0.2
313.17825	0.5
327.17215	0.3
329.19128	0.3
335.25677	0.8
373.21445	1.5
451.32007	0.5
469.32651	0.6
487.33304	0.2
510.60449	0.2
525.35272	0.8
543.29736	0.2
543.36816	3.2
561.37738	1.6
750.78827	0.2
758.44305	1.8
760.10718	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	758.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01870	1.0
55.05503	1.9
55.12191	0.5
57.03431	1.9
60.08160	0.7
60.13834	0.6
61.02917	0.8
66.97273	0.6
67.05505	6.2
69.07068	1.7
71.04990	0.8
71.07356	0.6
73.02893	0.9
73.04765	0.7
73.99227	0.5
77.03947	0.7
79.05489	7.8
81.03417	1.3
81.07058	4.8
83.04988	1.0
83.08627	1.0
85.02882	0.7
86.09710	4.1
87.04465	100.0
88.04810	1.0
89.06024	4.3
91.05451	8.1
93.07046	4.8
95.04967	3.2
95.08614	4.0
97.02888	0.6
97.10168	1.2
103.05470	3.8
105.07027	54.3
106.07352	2.1
107.04944	1.0
107.08573	3.8
109.10142	1.7
117.07006	1.7
119.04918	1.0
119.08561	4.6
121.06516	6.8
121.10126	1.6
122.55720	0.6
123.11659	0.8
125.00014	3.0
125.09637	0.7
129.05472	1.6
129.06992	1.9
131.07036	3.6
131.08533	4.2
133.08600	1.6
133.10141	2.2
135.11696	1.7
143.07103	0.7
145.10162	1.7
147.08047	17.3
147.11713	1.0
149.09593	3.8
149.13275	0.6
157.10104	1.0
163.11172	0.9
167.05615	0.8
171.11748	1.1
173.13187	0.7
175.09740	1.1
175.11166	0.9
184.07336	17.7
196.50804	0.6
209.11732	0.7
219.12311	2.4
223.11174	1.1
225.12756	7.3
227.12747	1.3
229.14508	0.6
249.12740	1.7
251.14331	0.8
269.15350	1.3
283.15607	1.5
299.06247	0.7
301.16357	3.2
335.25842	4.9
373.21741	2.0
521.64447	0.7
525.35791	0.7
543.36395	2.9
561.37860	5.4
758.44196	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	758.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
53.53922	0.9
55.01889	1.0
55.05512	15.9
57.03439	7.3
57.07074	1.5
59.04993	2.4
60.08191	1.0
61.02926	2.8
65.03941	3.3
67.05502	70.6
67.39195	1.1
69.03434	2.2
69.07066	12.3
69.66218	3.4
71.04990	23.3
71.08592	1.0
71.63182	0.8
73.06562	1.5
74.70677	0.9
75.05627	0.8
77.03923	1.3
79.05491	38.7
81.03421	2.2
81.07055	100.0
83.04986	4.1
83.08614	8.3
85.02915	2.9
85.06538	7.8
86.09706	7.4
87.04460	2.0
89.06038	2.6
91.05470	31.4
93.07043	43.1
95.04961	6.5
95.08601	27.5
97.02891	1.0
97.06544	4.2
97.10187	2.2
98.89342	1.1
98.98481	1.2
99.08096	1.4
103.05451	1.7
105.04547	2.2
105.07030	42.8
106.07378	2.3
107.08591	21.2
109.06518	2.2
109.10154	13.2
111.08083	2.2
113.09617	1.1
115.56765	0.9
117.07040	6.6
119.08578	9.5
121.06490	1.6
121.10146	18.7
121.10978	1.3
123.08014	1.0
123.11697	14.9
125.00005	5.9
125.09718	0.9
127.01591	1.7
131.08557	10.1
133.08620	1.4
133.10115	17.5
135.11682	8.4
139.11201	1.4
145.10162	4.4
147.11696	4.4
149.13223	6.3
151.11133	4.2
153.03078	2.1
159.11719	6.8
161.13258	3.3
170.47311	1.2
171.11642	2.0
173.13310	2.9
175.55791	0.9
177.12773	2.9
183.13788	3.0
184.07338	26.5
187.13306	4.1
187.14790	1.2
195.13835	1.3
201.14876	1.4
227.16353	1.9
243.15962	1.2
243.21153	1.8
251.14388	1.5
257.17484	2.2
261.22144	2.1
261.30414	1.0
266.01086	1.0
269.17484	4.9
301.20068	15.1
310.03772	0.9
335.25793	31.6
411.32721	1.4
469.13513	1.1
485.36084	2.4
503.37283	89.2
504.37735	6.0
517.39105	4.7
529.38971	11.3
561.41467	90.4
562.41840	6.4
658.84424	1.2
668.18005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74844	0.6
56.05023	1.2
60.08164	7.6
69.84930	1.2
71.07371	6.2
86.09701	37.9
87.10040	0.9
98.22689	0.7
98.98446	4.1
104.10723	2.6
105.07021	0.7
124.99998	29.5
130.61237	0.6
154.34479	0.6
161.43893	0.5
184.07330	100.0
185.07666	1.1
335.48282	0.6
350.46524	0.6
395.45599	0.8
516.79132	0.8
758.56213	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	759.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08164	6.2
71.07381	3.9
71.42461	1.3
82.05383	1.3
86.09706	27.8
87.10065	1.5
91.05883	1.6
92.62128	1.5
98.98456	3.2
103.05464	7.4
104.10767	3.9
115.05449	11.3
124.99993	20.0
131.04915	21.8
131.05766	1.9
142.06551	5.3
144.87593	1.6
167.05484	1.7
170.06046	3.4
184.07330	85.5
185.07732	3.0
196.07558	1.4
197.23085	1.4
217.02119	1.6
224.07086	2.0
238.05045	4.3
246.05649	1.8
248.01871	1.7
256.06052	2.0
272.01956	3.4
272.07037	4.4
280.06046	22.3
280.08945	1.7
286.05087	4.5
288.06631	2.6
290.03174	5.6
297.99957	4.8
298.07132	1.9
300.06503	9.5
309.01465	2.8
314.04510	2.2
321.01431	3.1
328.05896	10.7
334.99417	1.4
335.02982	3.3
339.02243	1.8
349.00989	6.3
356.05600	2.6
363.02606	4.7
367.02045	2.0
376.08337	2.4
377.00626	2.0
384.05051	18.4
384.12238	22.6
391.01859	9.4
395.01529	1.7
402.06064	14.5
404.99710	1.6
413.07547	1.6
419.01566	3.7
423.01035	1.7
447.00903	32.8
465.02121	10.7
483.02951	1.8
509.06760	1.8
533.06451	2.6
551.06995	14.9
569.08405	23.5
655.13208	20.9
656.13550	2.0
673.14429	25.3
674.14276	1.6
759.19659	100.0
760.19788	11.4
776.20557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01862	0.3
63.13778	0.1
65.03934	1.3
67.05504	0.6
67.14150	0.1
69.03416	1.0
69.49445	0.4
69.49853	0.3
73.02917	0.1
77.03924	0.2
81.03410	2.9
85.02907	1.2
93.03396	0.9
95.04950	0.6
97.02892	0.9
98.22741	0.2
99.04466	0.2
103.37768	0.1
105.03404	0.2
105.04528	0.3
107.09666	0.1
108.02090	1.1
109.02863	1.1
109.03552	0.1
110.03633	0.1
111.04440	1.4
121.03985	0.2
123.04375	0.2
125.05993	1.2
127.03934	0.6
136.01619	0.2
141.05453	1.2
145.04977	0.1
151.03899	55.3
151.04968	4.0
152.04247	1.1
153.27705	0.1
168.00516	0.2
168.05711	0.2
168.94942	0.1
169.04953	3.6
170.05507	0.1
179.04962	0.3
182.54485	0.1
183.02914	0.1
241.05006	0.1
242.05815	0.5
252.04323	0.2
269.04385	0.4
270.05209	33.7
271.05536	1.4
283.05933	0.2
284.03210	0.2
285.07544	100.0
286.07901	4.0
295.08096	3.3
313.09164	2.5
597.15784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01857	0.4
57.03426	0.3
58.66958	0.3
60.96693	0.3
65.03935	0.8
67.05505	0.5
69.03432	0.8
70.06573	0.3
71.22176	0.3
81.03414	3.2
85.02894	1.1
89.90026	0.2
90.10214	0.3
93.03406	0.5
95.04956	0.5
97.02896	1.0
99.04429	0.3
105.03392	0.5
108.02105	0.9
109.02876	1.6
111.04435	1.4
113.56995	0.3
125.05974	1.1
141.05464	0.8
151.03897	52.0
151.04965	3.5
152.04236	0.7
169.04968	3.6
269.04510	0.4
270.05209	29.4
271.05627	1.6
285.07541	100.0
286.07861	4.2
295.08142	2.3
313.09109	2.2
359.77225	0.3
665.38971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2464
Annotation	Antibiotic UCN 1028A
Peak:m/z	Relative Intensity
56.16957	0.2
60.68703	0.3
68.04283	0.2
69.03416	0.4
69.32693	1.3
78.79437	0.2
81.03420	0.4
83.04984	0.8
85.02898	1.8
87.73746	0.2
89.03927	0.6
91.05466	2.2
97.02883	0.6
100.07612	0.4
105.07072	0.4
111.04445	0.5
117.03403	1.2
119.04960	1.2
128.28549	0.2
136.05257	0.4
145.02840	3.5
149.02144	0.4
149.05997	0.5
151.03908	0.9
151.07530	1.9
171.06516	0.4
173.05779	0.3
177.05460	4.6
177.06938	0.3
193.04677	2.5
195.06458	0.4
211.05815	0.5
219.06395	0.4
254.36366	0.3
261.07413	0.3
281.80573	0.2
312.22247	0.3
317.10013	0.5
335.10944	1.2
361.09525	0.3
389.19446	0.4
390.20065	0.4
421.09259	0.3
446.32266	0.3
529.16846	3.0
565.18909	0.6
575.16461	0.3
718.47595	0.3
759.24561	100.0
760.25012	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	759.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11756	0.4
55.01874	1.3
57.03423	0.5
63.02375	0.9
69.03420	1.1
69.25661	2.8
70.06602	0.8
79.05492	1.0
81.03422	0.7
81.07089	0.5
85.02913	1.2
85.94340	0.4
89.03917	14.3
91.05480	25.9
95.04985	0.6
97.02904	0.7
98.22602	0.9
98.40061	0.4
100.07604	0.6
103.03983	0.9
103.05469	3.7
105.07033	26.5
106.04189	0.8
107.04961	0.8
109.02870	1.1
115.05452	4.4
117.03380	31.5
117.07023	1.1
118.03700	0.6
119.04924	0.6
121.02887	0.8
121.06514	0.8
123.04445	0.6
127.03897	0.6
129.07002	1.0
131.04927	4.3
133.02879	0.6
133.06499	2.3
134.03644	2.2
135.04422	2.4
137.05975	1.5
139.03914	0.8
143.04909	0.8
145.02847	70.8
146.03230	1.5
147.04420	1.3
149.02449	0.5
149.05974	11.3
151.03917	2.1
155.04971	0.6
157.06554	1.1
159.04413	3.7
160.05212	1.8
161.05965	1.7
162.03168	0.7
163.03928	4.7
163.07559	0.8
173.02446	0.6
173.06065	0.6
175.03877	1.6
175.07533	4.0
177.05470	100.0
177.62718	0.6
178.05827	2.4
178.07741	0.5
179.08553	0.6
181.04922	0.7
186.03131	0.6
186.05431	1.1
187.03915	1.3
189.05455	5.3
190.89928	0.5
191.03397	1.2
191.07021	1.3
191.08615	0.7
193.04919	0.7
193.10188	0.7
195.08055	0.8
199.07458	0.5
201.05402	5.3
203.08618	0.9
205.04953	3.2
207.06490	0.9
211.04005	0.6
211.07639	0.6
213.05516	0.7
215.06992	1.5
217.04996	1.2
219.06506	16.5
221.00037	0.6
223.07585	0.8
229.04855	0.6
231.06448	0.6
243.06525	1.9
245.49977	0.5
249.09334	0.6
253.08664	0.9
255.06491	0.6
259.09720	0.6
261.07434	1.1
263.07083	0.6
265.08441	0.6
271.09686	1.0
273.07675	0.8
275.10712	0.6
277.08606	2.9
283.09720	3.3
285.07578	1.6
289.08701	1.0
291.06366	0.7
291.09741	0.5
293.07999	0.5
295.09628	5.5
301.10657	1.5
307.09573	2.7
313.10593	1.6
319.09628	1.5
321.09671	1.4
325.10690	7.2
329.08096	0.6
331.09573	0.8
331.70920	0.5
333.11273	0.6
337.10620	4.2
339.10809	5.8
343.09708	0.6
347.82861	0.5
349.10822	5.4
351.08505	1.9
361.10699	1.8
367.11850	2.4
369.09674	1.0
373.10812	1.5
379.11938	2.8
385.12823	1.1
390.99435	0.6
391.11853	3.4
393.09854	0.9
397.12769	0.7
403.12817	1.0
409.12616	2.0
415.13861	1.1
427.13596	1.7
433.12756	0.9
435.10611	0.6
437.13992	0.8
465.13120	0.6
475.13483	0.6
481.15320	0.8
483.14401	6.8
501.15411	2.7
504.21716	0.5
511.16055	0.8
525.15405	4.0
537.15295	1.3
549.15094	1.0
555.16266	1.1
567.16699	2.5
585.17682	2.6
603.18481	2.4
750.09753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32008	0.8
62.89262	0.8
64.81004	0.8
65.21818	0.9
67.05493	1.9
68.83167	0.8
71.43168	0.8
75.04510	0.7
79.05507	1.4
81.03403	1.1
81.07047	1.0
85.02913	1.2
86.09724	1.2
86.60323	0.9
87.04476	1.1
89.05984	1.5
93.07044	1.1
94.06573	2.9
95.04950	0.8
97.02906	1.1
97.55608	0.8
116.04995	2.5
120.08110	1.1
122.06026	7.7
125.00050	1.0
127.01489	1.0
133.08672	0.9
136.07593	6.0
140.07063	0.9
144.04453	4.4
147.04379	1.0
148.07614	2.4
150.05545	2.3
162.05504	1.8
168.06529	2.2
172.03912	19.6
172.07584	1.0
182.08115	2.2
184.07358	5.0
185.10751	1.2
190.05042	2.1
198.09215	1.8
199.12344	1.1
201.10284	2.4
204.06555	28.1
212.10788	1.3
213.10217	2.9
214.10976	1.8
215.11818	2.4
224.10820	0.8
225.10268	2.8
226.10779	1.1
227.08167	2.9
227.11845	1.3
228.12595	1.2
229.09743	2.5
239.09479	0.9
239.11774	1.1
241.09677	5.8
241.13309	3.7
242.10468	12.2
243.11267	3.4
250.10939	1.0
251.11847	1.0
255.11305	2.0
256.12027	8.9
257.12820	9.4
258.11279	2.2
258.13663	1.6
267.11353	1.2
272.12799	1.0
279.11282	3.8
284.11612	6.1
285.12320	3.2
287.10126	1.5
289.15329	4.2
300.06433	1.2
302.12589	2.7
307.10760	3.0
313.06665	0.9
317.14932	100.0
318.15323	5.2
325.11725	1.4
329.11441	1.2
339.13303	6.6
411.11829	10.9
429.12717	1.2
443.14526	2.6
476.18164	1.1
488.18057	2.3
637.22723	0.9
651.24542	0.9
655.26636	1.2
683.27008	2.9
691.71558	1.0
695.23639	1.7
727.26038	5.8
755.02466	0.9
759.37524	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	759.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
61.78175	0.7
61.89661	0.6
79.05489	2.3
80.05008	0.7
80.53721	0.6
81.07067	1.1
85.02907	0.7
87.04483	2.0
89.06013	1.5
91.05469	0.8
93.07052	2.2
94.06557	3.3
95.04975	1.3
103.03954	1.5
103.05478	2.1
108.08089	5.4
110.09708	0.9
120.08091	13.4
120.08877	1.0
122.05130	1.0
122.06020	18.9
122.09679	2.5
134.05995	1.6
136.07564	12.2
138.09155	1.5
138.60738	0.8
141.43372	0.8
148.07550	30.2
150.09160	3.9
166.08603	3.3
175.61816	0.8
207.09261	0.9
208.09854	1.5
209.10730	2.4
221.10735	0.9
223.12292	1.7
225.10228	1.4
227.08180	0.8
235.08611	3.9
236.09409	7.0
237.10188	21.6
238.10909	1.2
239.08099	1.0
239.11777	1.0
248.09421	1.3
249.10196	16.1
250.07596	1.1
250.10942	4.8
251.08066	1.8
251.11806	5.3
252.08807	2.0
252.12456	0.9
253.09575	4.1
255.11380	0.7
261.10287	2.4
263.08032	3.2
263.11880	0.8
264.08893	13.6
265.09689	10.9
266.10504	2.4
267.11234	4.4
269.09174	1.4
276.08804	1.4
277.09695	15.2
278.07428	1.2
278.10526	4.9
279.08032	1.3
279.11200	14.1
280.11755	1.8
281.09283	5.1
281.12598	1.5
282.10114	1.0
283.10785	1.6
289.09781	0.9
291.07675	2.1
291.11020	1.5
292.08286	3.5
292.11691	0.7
293.09216	46.3
293.12836	7.4
294.09747	2.6
295.10721	3.9
296.11588	0.9
297.09003	1.2
297.12372	1.4
305.09186	11.2
305.12634	0.9
306.10187	0.9
307.10745	14.9
308.11185	1.1
309.08685	2.6
309.12363	3.6
311.10306	3.1
311.13785	1.5
312.11166	1.4
313.11945	2.4
314.12991	1.2
319.10858	1.9
321.12158	1.4
323.10281	7.5
323.13800	1.1
324.11099	2.3
325.11786	5.1
326.12717	0.8
327.13550	2.1
328.14481	1.2
333.08649	6.6
335.10385	1.5
337.12033	3.5
338.12851	1.4
339.13333	9.0
340.14398	1.3
341.15442	0.9
342.12427	1.7
342.16089	2.0
343.12988	1.4
347.10263	1.5
351.09723	22.9
352.10358	1.0
353.11258	3.2
353.14911	3.3
354.12164	2.2
354.16083	1.2
355.12961	3.3
356.13940	2.7
357.14600	2.3
365.11307	3.9
366.12070	6.4
367.13089	2.0
368.13971	2.5
369.14719	1.5
370.11673	2.0
370.15677	2.2
371.12323	5.6
372.17307	1.2
379.13046	1.4
382.11273	1.3
382.15619	1.5
383.12271	6.7
384.13144	1.9
384.17255	2.3
385.13843	6.5
386.14792	1.5
396.13153	1.1
397.13812	5.6
398.14777	3.5
398.19159	1.2
399.15549	1.7
400.16541	2.1
402.14340	1.2
410.14984	1.7
412.16776	1.3
414.14139	1.3
414.18893	1.0
428.15958	5.5
429.17130	1.0
430.17911	1.9
432.19376	1.0
438.14398	4.0
440.15997	1.6
444.19263	2.2
456.15158	5.4
457.16284	0.9
458.17114	2.4
460.18680	3.6
460.27921	0.7
470.17041	0.9
472.18619	1.5
476.18271	1.7
486.16855	2.3
488.18018	10.5
489.18405	1.0
490.19620	1.5
518.19141	1.7
520.20581	4.2
532.20508	1.5
533.21588	0.8
550.21814	1.2
551.22705	3.8
560.20618	1.0
561.20844	2.4
563.23322	0.9
564.19543	5.0
578.21136	2.8
591.22247	3.2
592.22797	15.7
593.23682	14.9
594.24011	1.6
595.25708	1.2
604.19550	1.9
605.19629	8.9
606.20221	1.3
622.19757	2.4
623.24933	3.4
624.25806	0.9
636.21790	39.3
637.22552	100.0
638.22736	7.9
651.24347	1.2
683.26971	9.1
695.23230	3.3
727.25964	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	760.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01864	2.5
55.05521	0.3
57.03432	1.6
59.04990	0.7
61.02920	1.9
61.10136	0.3
68.99786	0.4
69.03426	6.5
69.26012	0.9
69.26402	0.5
71.04967	1.1
73.02916	2.2
73.98258	0.3
81.02962	0.5
81.03413	7.8
81.07025	0.4
85.02898	22.3
87.00828	8.0
87.04441	0.3
91.03930	0.9
91.05429	0.4
92.66431	0.3
97.02891	10.7
97.06547	0.4
98.22650	0.5
99.04456	3.2
103.05549	0.3
105.01859	9.5
107.08572	0.5
109.02872	9.7
109.10136	1.1
115.03927	0.4
117.01847	1.1
117.07008	0.3
123.04427	1.0
127.03909	19.1
127.56812	0.3
129.01813	1.2
129.06943	0.3
131.04913	0.3
131.66447	0.3
133.08641	0.4
133.77943	0.3
135.11696	0.6
137.05945	0.9
141.01898	0.3
144.06567	0.4
145.04950	7.5
145.06435	1.4
147.02876	0.6
147.07976	0.4
149.05986	4.4
151.07442	0.5
157.06471	0.4
159.02873	3.9
162.07652	0.5
163.07532	7.6
165.09105	100.0
165.82614	0.3
166.09398	1.9
175.07567	0.9
179.10675	2.0
180.08667	1.5
189.09084	0.7
191.10645	3.1
199.11108	0.4
205.12230	41.8
206.12466	1.5
213.03897	1.2
217.12228	5.8
218.12733	0.3
219.91537	0.3
231.04988	6.0
231.10019	0.4
231.13649	0.4
245.15433	1.0
249.06055	1.2
253.16029	0.4
271.16983	1.0
285.18481	0.6
287.20032	28.0
288.20505	1.4
315.19519	9.3
316.19846	0.4
317.17459	0.8
331.19058	1.3
333.20587	41.0
334.20920	2.6
342.35144	0.3
343.18997	0.8
357.20801	0.5
373.88739	0.3
423.21643	1.1
453.05035	0.3
453.17307	0.9
499.23517	0.5
517.24243	0.6
535.25366	1.0
545.23535	0.9
563.24823	3.2
581.25696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	7.9
69.03426	1.2
69.46661	2.3
71.04993	2.3
73.02917	7.7
73.06554	4.1
78.99518	2.6
87.04465	27.4
89.06028	100.0
91.07586	0.7
92.40392	0.5
103.07589	6.2
107.07056	1.8
108.46017	0.5
113.00014	6.2
113.06001	2.2
114.64319	0.5
115.07645	1.3
117.09131	3.1
124.99944	0.5
127.01561	60.4
129.67107	0.6
131.07051	5.1
133.08597	52.6
134.08914	1.1
135.10101	0.6
139.01544	22.3
147.10117	3.5
149.98303	0.5
153.03110	72.2
157.08626	0.7
159.10150	1.5
161.11792	0.8
175.09586	3.4
177.11211	15.2
183.04178	8.9
190.32036	0.5
197.05724	32.3
198.05965	0.7
215.06595	0.6
219.12250	1.4
221.13777	3.4
227.06779	3.6
241.08356	10.3
259.09479	0.9
265.16510	0.7
271.09500	3.1
285.11011	3.0
303.12012	1.6
315.11911	2.6
329.13586	1.1
347.14456	1.0
359.14719	1.4
391.17072	1.3
403.17050	1.0
416.69122	0.6
523.25299	0.6
743.38257	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	760.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01867	0.5
55.05508	1.9
57.03438	1.4
59.04993	0.4
65.03938	0.7
67.05502	4.6
69.03397	0.4
69.07058	1.0
69.73468	0.3
71.04981	0.4
73.02934	0.4
73.06550	1.4
77.03931	1.3
77.39285	0.4
79.05489	8.7
81.03408	6.1
81.07053	4.2
83.04989	0.4
83.08624	2.0
83.16380	0.3
87.04463	6.7
89.06023	53.7
91.05470	12.1
91.07571	0.3
93.07048	5.3
95.04971	5.7
95.08595	3.8
97.10174	0.6
103.05463	6.8
105.04504	1.6
105.07018	100.0
106.07350	1.9
107.04956	2.8
107.07073	1.0
107.08588	2.0
109.10133	1.5
111.08062	0.4
115.05428	0.6
116.06230	0.5
117.07046	1.9
117.09126	1.2
119.04946	1.9
119.08565	6.2
121.06492	16.5
121.10111	1.4
123.11683	0.7
124.99994	0.5
128.06209	1.2
129.06990	4.5
131.07048	3.1
131.08551	8.6
132.05670	0.8
133.06453	1.1
133.08592	34.8
133.10027	2.6
134.08916	0.4
135.08029	0.8
135.11636	0.9
145.06464	0.8
145.10146	0.8
147.08031	36.1
147.11638	1.1
148.08336	0.7
149.09607	6.9
149.13239	0.5
150.09973	0.4
157.10132	1.0
159.11639	0.7
161.13142	0.4
163.14865	0.4
165.07043	0.5
165.09071	1.3
173.09608	0.7
175.09637	2.1
175.11163	1.1
177.11205	11.9
179.08510	0.4
181.10078	1.7
184.07381	2.0
191.10638	0.5
193.12201	2.2
207.11591	0.5
208.08830	0.5
209.11662	0.9
219.12187	0.5
221.13814	2.9
223.11194	2.0
225.12714	19.6
226.12991	1.1
227.12692	0.7
235.13065	0.5
249.12668	2.9
251.14407	3.2
255.15710	0.5
261.22070	0.8
267.15860	6.1
269.15320	3.5
295.16763	0.4
311.16275	0.7
313.17737	1.5
315.17578	0.7
327.17072	0.6
329.18674	0.7
335.25726	5.6
373.21564	6.2
374.21704	0.5
435.31851	0.5
453.33447	0.8
497.47772	0.4
527.37085	3.5
535.30176	0.5
545.38232	2.8
595.33557	0.5
639.36041	1.3
760.45673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05510	1.9
57.03431	1.3
65.03949	0.8
67.05506	4.6
69.03426	0.6
69.07061	1.4
69.76350	1.2
69.76704	0.9
73.02918	1.2
73.06544	1.6
77.03933	1.5
78.77957	0.6
79.05492	10.5
80.70696	0.5
81.03414	8.3
81.07054	5.1
83.08623	1.8
87.04465	7.7
89.06030	55.9
91.05473	14.2
93.07032	5.0
95.04968	5.9
95.08624	2.9
97.06553	0.6
97.10204	0.6
103.05466	7.1
105.04580	1.1
105.07026	100.0
106.07363	2.1
107.04997	2.5
107.07037	1.1
107.08607	2.6
109.06487	0.5
109.10137	1.3
111.08129	0.6
112.68133	0.5
113.06003	0.6
115.05498	0.7
117.07003	2.3
117.09142	1.2
119.04916	1.7
119.08582	7.7
121.06503	17.0
121.10151	2.0
122.06910	0.6
123.11693	0.6
125.00004	0.7
127.55450	0.5
128.06216	1.5
129.06978	4.2
130.08655	0.9
131.07062	2.8
131.08562	8.9
132.05707	0.9
133.08600	40.0
133.10162	2.3
134.08955	0.6
135.08098	0.6
135.11678	0.9
145.06447	1.3
145.10069	1.0
147.08047	34.5
147.11745	0.9
148.08382	0.7
149.09610	8.9
157.10056	1.0
159.11627	1.0
161.13242	0.6
163.11105	0.6
165.09094	1.3
173.13220	0.8
175.09674	1.4
175.11169	0.8
177.11217	14.1
179.08647	0.6
181.10040	1.2
184.07362	1.8
191.10645	0.9
193.10336	0.5
193.12247	2.1
208.08742	0.8
209.11728	0.6
221.13855	2.6
223.11186	1.6
223.15366	0.5
225.12740	23.2
226.13002	0.7
227.12732	0.7
229.91058	0.5
249.12692	4.0
251.11847	0.6
251.14122	2.8
255.15912	1.1
261.22144	1.1
265.16565	0.6
267.15942	7.3
269.15283	4.1
283.17535	1.0
301.25262	0.7
311.16431	0.9
313.17987	2.1
335.25809	6.2
348.13113	0.6
373.21640	6.7
527.37292	4.5
535.30511	0.7
545.38367	2.9
639.37006	1.7
708.04913	0.7
743.42914	0.9
760.43280	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01868	3.8
55.05505	22.6
57.03437	20.5
57.07063	2.8
59.04996	2.9
60.08149	3.8
65.03922	5.5
67.05500	68.8
69.03430	3.5
69.07068	21.5
69.62582	8.9
71.04979	4.4
79.05487	60.9
79.63053	2.3
81.03410	88.2
81.07050	79.1
83.04966	7.2
83.08616	23.6
85.02914	2.3
85.06560	3.7
86.09695	14.5
91.05467	39.8
93.07035	49.2
95.04964	30.3
95.08597	45.5
97.02915	3.8
97.06527	6.5
97.10172	7.9
98.22741	3.7
98.98450	2.4
104.10789	4.5
105.04520	2.9
105.07023	41.3
107.04955	12.3
107.08598	28.6
109.06503	4.6
109.10134	22.0
111.08081	8.0
117.07028	9.1
119.08582	26.8
121.06507	6.6
121.10132	25.8
123.08066	3.8
123.11723	7.8
125.00005	10.9
125.09622	5.1
129.06982	13.2
131.08543	20.0
132.04352	2.3
133.06459	4.1
133.08582	2.9
133.10120	15.4
135.08102	3.3
135.11684	15.6
137.13271	3.0
139.11243	2.4
143.08624	3.1
145.10138	9.9
147.08054	4.5
147.11734	13.2
149.09612	7.9
149.13258	9.0
157.10135	9.4
159.11694	8.3
161.13208	5.6
163.11259	3.1
171.11752	2.4
173.13281	6.0
175.11211	9.3
183.11624	3.0
184.07321	53.0
189.11208	6.6
193.12221	21.3
211.13290	3.3
227.12749	7.3
240.91447	2.3
243.21165	6.1
253.39539	2.2
259.20786	2.3
261.22098	15.2
267.15866	100.0
268.16354	2.9
275.57596	2.5
301.25214	5.3
317.24628	5.5
335.25781	75.6
336.26041	3.0
435.32654	5.2
453.33591	10.1
471.34534	7.3
527.37347	51.2
528.37476	4.0
545.38312	39.6
546.38251	2.7
549.72791	2.2
760.43140	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	760.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
53.50952	0.8
55.01859	1.4
55.05504	8.1
57.03436	8.2
57.07051	1.8
59.04992	1.3
65.03942	1.5
67.05499	25.9
69.03419	2.2
69.07056	6.9
73.02920	1.0
73.06542	2.0
74.24290	0.8
77.03928	1.9
79.05486	22.0
81.03409	34.9
81.07052	25.3
83.04948	2.6
83.08613	9.9
85.06532	1.3
86.09712	1.7
87.04465	5.2
89.06024	37.3
91.05461	16.2
93.07030	21.7
95.04964	14.4
95.08597	16.4
97.06525	2.2
97.10159	2.8
103.05456	6.3
105.03356	1.2
105.04513	1.6
105.07018	100.0
106.07368	2.8
107.04945	2.9
107.08587	10.2
109.06510	1.1
109.10150	8.9
111.08077	2.1
115.05457	1.0
116.06255	1.0
117.07014	2.9
119.04910	1.3
119.08565	11.9
121.06487	10.0
121.10118	9.3
122.06774	1.0
123.08028	1.5
123.11681	1.2
125.00009	1.8
125.09612	2.7
129.06993	6.3
130.07683	1.0
131.07034	2.6
131.08557	11.8
133.06525	1.3
133.08594	28.1
133.10103	5.8
135.08046	1.1
135.11671	5.7
145.10086	5.5
147.08034	15.0
147.11679	4.1
149.09589	6.6
149.13237	3.5
155.08594	1.0
157.10117	3.4
159.11671	2.8
159.75473	1.0
161.13246	1.5
163.11130	2.1
165.07086	0.9
165.09128	1.2
167.08372	0.9
169.10135	1.2
171.11687	1.1
173.13290	2.7
175.09702	1.9
175.11160	3.4
175.14828	1.0
177.11208	9.0
184.07297	6.2
185.07553	0.9
185.13228	1.2
189.11226	1.3
193.12225	10.1
211.13200	1.0
221.13805	2.2
223.11168	1.6
225.12733	13.2
226.13161	1.0
227.12781	3.7
243.21104	1.9
251.14175	2.2
261.22110	6.3
267.15881	35.8
267.18750	1.8
268.15997	1.1
269.15326	3.5
285.16931	1.3
299.05960	1.1
301.25018	1.7
309.16879	1.3
313.17734	1.4
329.19144	0.9
334.01965	0.9
335.05756	0.9
335.25763	25.3
336.26120	2.0
373.21643	5.2
435.32315	2.6
453.33344	3.3
471.34418	1.8
527.37238	18.8
528.38025	1.4
545.38342	15.8
563.39294	1.3
639.37524	1.8
760.42450	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	760.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01860	0.8
55.05504	5.2
57.03435	4.9
59.04980	0.7
65.03927	0.9
65.37708	0.5
67.05157	1.1
67.05499	14.6
67.41949	0.4
69.03425	1.2
69.07063	2.9
69.66662	1.0
69.67027	1.6
71.04977	0.9
73.02925	0.5
73.06539	1.4
77.03920	1.0
77.17149	0.5
77.19353	0.5
79.05486	19.9
81.03410	22.2
81.07047	16.2
81.07504	1.1
83.04957	1.2
83.08607	5.3
86.09720	0.6
87.04472	4.9
89.06023	40.9
91.05472	15.4
93.07041	13.0
95.04958	12.1
95.08600	10.3
97.02909	1.1
97.06531	1.3
97.10150	2.3
98.23393	0.7
103.05464	5.8
105.03374	0.7
105.04521	1.7
105.07021	100.0
106.07355	2.3
107.04933	3.2
107.08584	7.0
109.06512	1.3
109.10143	5.4
111.08058	1.6
115.05482	0.9
116.84397	0.6
117.07004	3.9
117.09115	0.8
119.04923	1.2
119.08576	9.7
120.25822	0.5
121.06497	15.4
121.10149	5.3
123.04462	0.6
123.08066	1.1
123.11689	2.1
124.99950	0.6
125.09570	1.4
128.06206	1.1
129.06985	5.9
131.07027	1.7
131.08548	10.9
133.06483	1.2
133.08594	25.3
133.10057	3.6
135.08034	1.2
135.11687	3.6
135.88342	0.6
137.09572	0.9
143.08563	0.8
145.06470	1.1
145.10065	3.0
147.08038	20.7
147.11682	2.9
149.09610	5.6
149.13232	1.6
155.08577	0.9
157.10152	3.2
159.11687	2.5
161.13235	1.5
163.11154	1.0
163.14798	0.6
165.09131	1.0
165.12816	0.7
168.84273	0.6
169.10138	0.7
173.09619	0.9
173.13237	1.5
175.09691	1.4
175.11203	2.4
175.14798	0.7
177.11197	9.0
177.12718	0.8
181.10088	0.9
184.07327	3.0
187.14719	1.0
189.11142	0.8
191.10594	0.9
193.12236	6.5
207.11780	0.8
208.08832	0.7
210.90706	0.5
221.13788	1.3
223.11180	1.6
225.12721	13.2
226.12912	0.7
227.12767	2.0
241.82031	0.5
243.21098	1.3
245.70480	0.6
249.12733	1.5
251.14310	2.2
261.22162	5.0
267.13086	1.2
267.15887	22.4
268.16296	0.8
269.15378	3.6
301.25284	1.7
303.22943	0.6
313.17773	1.1
317.24698	0.7
335.25781	17.2
373.21564	4.5
435.32452	1.7
453.33566	1.5
471.34827	1.0
527.37268	12.5
528.37659	0.8
545.38354	10.3
546.38544	0.8
563.38672	1.2
569.38269	0.8
639.37109	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	761.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
65.03937	0.9
67.05515	0.6
69.03423	1.2
69.76569	0.8
81.03427	2.0
85.02900	1.8
91.05472	2.8
91.05984	0.3
93.03432	0.5
97.02899	0.7
108.02118	0.9
109.02858	1.1
111.04464	0.7
119.04925	1.5
121.02883	0.7
125.06001	0.7
127.03927	0.5
127.63203	0.2
136.01476	0.3
141.05461	0.6
151.03903	50.5
151.04964	3.0
152.04243	1.4
152.05345	0.2
166.07286	0.2
169.01314	17.6
169.04955	3.7
169.06274	0.4
170.01616	0.4
176.53587	0.2
176.71059	0.2
191.86613	0.3
241.04836	0.4
244.59302	0.2
259.06049	0.3
287.05484	100.0
288.05832	4.1
295.08041	4.5
313.09146	3.9
362.74362	0.3
449.10623	0.5
599.13855	5.8
600.13959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.303
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28752	1.0
69.06197	0.9
79.05476	1.0
93.07059	1.6
94.06564	1.8
103.27514	0.9
108.08084	2.4
115.90263	0.9
120.04483	1.7
120.08100	8.7
121.06487	0.9
122.06013	5.4
122.09709	1.5
136.07594	3.2
138.09160	1.0
148.07559	15.6
149.05989	1.0
150.09166	1.6
172.03996	2.0
190.05058	1.2
197.10783	0.9
199.12308	1.1
204.06487	2.4
209.25642	1.0
225.10291	1.7
227.11780	2.4
236.09549	1.5
237.10231	3.5
238.10957	3.1
239.11879	2.6
248.09456	1.4
249.10240	3.4
250.10905	2.3
251.08066	1.7
251.11830	5.0
252.12485	1.5
253.09686	3.1
255.11244	2.4
261.10199	3.1
261.14569	2.8
262.10934	1.2
263.11789	5.5
265.09723	5.8
266.10382	1.2
267.11319	5.7
269.12836	2.0
271.10907	1.7
277.09756	1.8
278.10565	2.2
279.07843	2.0
279.11252	9.5
280.12048	2.6
281.09305	2.6
281.12592	1.9
283.10800	3.2
283.14624	1.0
289.09747	6.0
291.11365	4.4
293.09424	1.0
293.12744	2.6
294.09927	4.1
295.10730	2.9
296.11414	1.4
297.12347	1.3
299.10385	1.2
306.09851	1.9
307.10797	3.2
308.11475	1.2
309.12302	3.0
311.10284	4.7
311.13757	1.7
312.11060	1.1
313.11862	1.1
314.12119	1.2
323.10342	1.2
323.13913	3.0
324.10980	2.1
325.11771	2.3
326.12442	2.5
327.13388	4.3
335.10214	10.1
339.09796	1.7
339.13376	32.3
340.10544	2.2
340.14075	1.3
349.11871	1.4
354.12192	5.6
355.12866	10.0
356.13556	1.2
365.11234	1.3
367.12878	21.2
370.15488	1.4
411.11856	1.1
413.81216	1.1
416.15891	1.7
418.17975	1.1
442.17447	2.2
470.17203	1.6
474.20020	2.8
502.19278	2.9
512.31183	2.3
513.31860	2.2
520.21307	1.5
521.21442	1.2
527.17853	1.0
530.18860	2.1
562.21844	11.8
563.21790	1.2
574.18195	8.6
575.18665	1.2
578.21161	2.6
606.20801	100.0
607.21216	9.5
638.23315	5.3
639.23468	1.3
697.24976	4.6
717.38568	2.4
761.37897	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	761.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
57.03430	1.7
59.04992	1.0
61.02928	4.2
67.05501	2.7
69.03428	2.8
71.04990	2.0
71.41701	0.7
73.02904	3.8
75.04498	0.5
76.87025	0.5
78.43336	0.5
79.05495	3.2
81.03418	5.5
81.07059	3.1
82.07687	0.5
83.04985	0.9
83.08604	1.3
85.02895	4.2
85.06530	0.8
87.04484	1.0
91.03936	1.3
91.05466	4.6
93.07023	3.5
95.04963	2.4
95.08614	1.3
97.02895	3.9
97.06529	0.7
99.04478	0.6
101.02385	1.9
105.07027	2.9
107.08623	2.0
109.06533	0.7
111.08076	1.0
117.07015	0.6
119.08610	2.3
121.10145	3.3
123.08011	0.6
127.03925	1.7
129.07014	1.0
131.08543	2.7
133.10138	1.8
133.33495	0.5
137.05983	1.0
147.11749	2.0
149.09612	2.8
157.10182	2.1
163.11246	0.7
175.11258	1.2
182.99525	0.5
193.12227	3.1
197.15410	0.6
203.05345	0.5
225.14920	1.4
243.08484	2.3
251.80045	0.6
267.15964	1.6
283.15164	5.9
287.05722	1.5
339.17859	2.9
375.12286	0.6
455.01672	0.6
469.20386	1.1
483.21811	0.6
501.23062	27.9
502.23517	1.8
506.15143	0.6
761.39246	100.0
762.39545	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	763.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.05498	1.2
57.03434	1.7
59.05006	0.9
59.80627	0.4
61.02926	5.9
64.41962	0.5
65.77269	0.3
67.05500	5.4
69.03417	3.8
69.07073	1.0
69.39720	1.2
71.01365	0.5
71.04986	2.5
73.02913	5.5
73.06547	1.0
76.36207	0.4
77.03928	0.7
78.25639	0.4
79.05487	5.6
81.03412	1.4
81.07055	5.9
83.08613	0.6
85.02900	5.9
87.04456	2.5
89.06034	2.8
90.29603	0.4
91.03956	3.5
91.05473	3.8
93.07033	3.7
95.04979	1.5
95.08593	3.6
97.02888	5.6
99.04444	1.5
101.02386	1.4
103.03986	1.1
103.05470	1.5
105.04520	0.7
105.07022	26.9
106.07349	2.4
107.08576	2.2
109.02885	1.1
109.10172	1.5
114.23614	0.4
117.01846	4.1
117.07088	0.4
119.08578	0.7
121.10172	1.6
123.11729	1.4
127.03933	1.4
128.17160	0.4
131.08618	1.1
133.08597	1.9
133.10144	1.6
135.11697	1.0
145.10135	0.5
147.08102	0.6
147.11742	0.5
149.13248	0.7
151.11195	0.4
159.11765	0.5
164.81306	0.3
175.09627	0.5
177.11247	1.0
185.04283	0.8
221.99443	0.4
225.12842	1.0
243.08482	1.6
251.14462	1.1
253.15666	0.4
257.17413	0.6
267.15796	1.2
299.81970	0.5
329.19095	0.6
335.26004	0.8
383.53625	0.4
404.20755	0.4
453.21674	0.4
470.78174	0.5
485.23584	4.3
519.29193	9.9
763.45947	100.0
764.46210	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	764.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78651	0.3
55.01865	1.2
57.03429	1.1
61.02915	0.7
63.70690	0.3
68.99784	0.9
69.03066	0.4
69.03428	6.9
69.64474	0.5
69.64874	0.6
71.01336	0.4
71.04993	1.1
73.02913	0.9
78.03446	2.9
81.03412	6.7
85.02898	15.4
85.43973	0.3
87.00820	4.1
91.03941	0.6
91.05466	0.6
95.04966	0.4
96.04485	100.0
97.02888	4.3
97.04828	1.2
99.04446	2.5
105.01865	3.8
105.06991	0.3
107.04956	0.6
109.02881	7.5
109.03637	0.4
115.03965	0.3
117.01833	0.5
119.04927	0.5
121.06523	0.3
125.02345	2.0
127.03904	11.5
128.04233	0.3
129.01848	0.7
131.04953	0.6
133.06494	0.5
134.07303	0.5
135.08041	0.6
136.07564	1.2
144.04449	0.6
145.04945	4.7
147.02968	0.7
147.04399	1.7
149.05957	0.7
159.02881	3.1
161.06001	0.3
186.17116	0.3
189.03928	0.5
189.05501	0.3
213.03871	0.5
217.04959	1.6
231.04991	3.1
249.06039	0.6
259.09631	3.1
287.03116	0.3
354.13342	22.7
355.13760	0.8
368.49411	0.3
417.65906	0.3
469.21906	0.3
516.18384	2.1
764.23474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03442	1.1
60.77023	0.1
61.02919	0.8
64.70174	0.2
68.99790	0.9
69.03429	5.1
69.81049	0.4
71.04984	0.5
73.02918	0.8
77.49216	0.1
78.03452	3.1
81.02959	0.3
81.03416	4.7
85.02902	11.6
86.03259	0.2
86.55087	0.2
87.00827	3.4
88.49764	0.1
91.03955	0.2
91.05492	0.2
95.04977	0.3
96.04490	100.0
96.18130	0.2
97.02876	3.2
97.04815	1.2
98.23405	0.3
99.04453	2.0
103.03930	0.3
105.01866	3.3
107.04977	0.4
109.02877	5.6
109.81384	0.2
115.03935	0.3
117.01858	0.6
117.12879	0.1
119.04994	0.2
125.02348	1.0
127.03914	9.5
129.01842	0.7
133.06560	0.2
135.08087	0.3
136.07571	1.3
144.63466	0.2
145.04951	4.0
147.02867	0.5
147.04417	0.9
149.05974	0.8
150.83322	0.2
159.02870	2.7
169.05058	0.2
171.02911	0.2
171.04404	0.2
177.03995	0.3
187.06032	0.6
189.03906	0.5
205.07205	0.2
205.19881	0.2
213.03915	0.8
217.04948	1.1
231.04962	3.2
249.06073	0.6
259.09641	2.0
354.13342	15.3
355.13818	0.7
516.18762	2.7
517.18805	0.3
764.23962	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	764.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03434	0.8
61.02921	1.0
61.41010	0.1
68.99464	0.1
68.99781	0.8
69.03429	5.5
70.06570	0.2
71.01328	0.2
71.04992	0.6
73.02924	1.0
78.03447	2.5
78.10526	0.1
78.73458	0.1
80.65266	0.1
81.03414	4.9
83.01331	0.1
83.04983	0.2
85.02902	9.1
87.00827	2.4
87.04474	0.5
91.03947	0.4
91.05483	0.3
93.07052	0.3
95.04935	0.3
96.04490	100.0
96.44224	0.1
97.02886	3.5
97.03487	0.2
97.04800	1.3
99.04455	1.6
103.03935	0.3
103.05485	0.3
105.01877	1.4
105.06999	0.2
107.04958	0.4
109.02873	5.2
113.58661	0.1
117.01855	0.5
119.00289	0.1
119.04931	0.4
119.89240	0.1
121.06447	0.2
124.03940	0.3
125.02354	0.9
127.03908	5.7
129.01822	0.4
131.04916	0.3
133.06476	0.2
134.07207	0.1
135.08073	0.3
136.07578	2.2
145.04951	2.3
147.03052	0.3
147.04420	1.4
149.05978	1.3
159.02887	1.6
161.06023	0.2
167.07028	0.2
171.04378	0.2
187.06068	0.4
189.03944	0.2
189.05438	0.2
191.11208	0.1
213.03949	0.4
217.04930	1.2
231.04944	1.2
257.08069	0.1
259.09625	2.4
260.06604	0.2
269.08075	0.2
288.49811	0.2
354.13324	5.6
355.13794	0.2
364.12979	0.2
491.19238	0.2
516.18646	9.5
517.19141	0.7
558.19543	0.6
589.13464	0.2
602.18665	5.7
603.18762	0.5
764.23688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03428	1.0
61.02930	1.0
62.52942	0.2
68.99809	1.0
69.03429	5.5
69.08421	0.8
69.08820	0.6
70.06593	0.4
71.05003	0.5
73.02915	0.7
78.03452	2.5
81.03423	4.5
83.04984	0.4
85.02905	11.0
87.00835	2.5
87.04483	0.3
88.34272	0.3
95.04966	0.3
96.04494	100.0
97.02897	5.0
97.04826	1.1
99.04462	1.5
100.94500	0.2
103.03962	0.5
105.01863	2.3
105.07130	0.2
109.02883	4.7
111.04422	0.3
115.03943	0.2
119.04942	0.3
125.02378	0.5
127.03913	8.3
129.01860	0.5
129.05475	0.3
131.04898	0.3
135.08055	0.4
136.07594	1.2
145.04967	3.2
147.02887	0.6
147.04387	0.8
148.08543	0.2
149.05962	1.2
159.02907	1.5
168.09428	0.2
169.04840	0.3
181.80846	0.2
187.06001	0.6
189.03941	0.5
189.05533	0.3
205.06982	0.3
213.04007	0.5
217.05072	0.6
231.05016	2.7
249.05980	0.4
259.09683	1.9
270.24649	0.2
316.96649	0.2
354.13370	8.8
355.13684	0.6
426.14600	0.2
439.00287	0.2
442.92053	0.2
516.18793	1.2
558.19727	0.5
602.18628	3.4
764.23920	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	764.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
65.03942	1.4
67.05499	1.4
69.03435	1.8
69.55381	2.0
69.55762	2.3
76.49229	0.9
79.05482	2.1
81.03413	1.7
85.02898	3.5
91.05481	4.6
94.04140	1.4
95.04958	3.6
97.02891	1.0
97.06520	1.1
103.05466	15.4
105.03383	0.9
105.07031	3.1
105.49274	1.0
107.04967	2.7
109.28118	0.8
111.04440	2.0
115.05441	2.1
117.07012	3.1
118.04200	2.1
119.04944	5.4
121.06530	1.3
122.03635	4.0
123.04440	2.6
125.05994	3.6
127.03911	1.0
129.07007	2.2
130.04153	1.2
131.04924	33.5
131.05902	1.7
131.08527	1.1
132.05675	0.9
133.02861	5.4
133.06448	3.9
135.04404	1.1
135.08055	0.9
137.05969	68.2
138.06310	1.5
141.05460	1.7
143.04932	2.0
145.06499	5.1
147.04446	5.1
147.08057	1.9
148.05176	6.6
149.05965	2.8
151.03902	81.2
151.04979	5.7
151.07570	2.6
152.04237	1.2
153.05521	4.1
157.06496	1.4
160.05165	1.2
161.06012	3.9
162.06731	1.0
163.03905	2.1
163.07526	18.9
165.05473	2.8
167.07021	8.6
171.04411	1.7
173.06018	3.3
175.07536	10.3
176.04695	2.3
177.05457	3.3
179.07039	6.0
179.08475	0.9
181.04945	18.5
181.06412	1.6
181.08495	0.9
181.34418	0.8
187.07588	3.7
189.09044	1.5
191.07021	100.0
192.07425	3.4
193.08562	2.3
195.06549	1.0
201.05367	1.1
201.09027	0.8
203.06992	4.2
205.06760	1.3
205.08525	4.6
207.10048	1.8
209.08041	4.6
210.93919	0.9
215.06987	1.0
217.06563	1.0
217.08643	2.5
219.10161	1.1
221.08020	1.3
223.09590	1.3
227.06848	1.2
231.06471	1.8
233.08136	3.2
234.06755	1.0
235.07494	1.7
235.09460	4.3
237.09074	2.1
237.90703	0.9
245.08113	1.4
247.07414	1.1
249.09084	2.6
257.08038	1.1
263.09158	22.4
265.08572	1.8
267.10147	1.6
277.08606	1.1
279.09991	1.2
294.08978	1.0
295.09454	1.3
297.11127	1.5
307.09628	1.3
309.11206	2.3
325.10669	2.4
327.12268	3.6
329.13934	1.6
337.10675	3.0
339.12253	1.6
341.13708	1.1
351.12189	2.1
353.13849	1.6
355.11728	12.0
357.13409	2.1
359.15018	1.4
369.13342	8.6
387.14343	55.2
388.14651	3.2
400.31668	0.9
440.40112	0.9
510.81769	0.9
517.18719	2.4
549.20654	1.0
629.68158	0.9
656.52386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96666	1.2
55.01869	2.5
55.78480	1.1
60.00986	1.0
63.17728	1.3
65.03921	1.7
67.05511	1.3
68.99790	1.0
69.03432	2.9
70.68871	1.2
71.01376	1.0
71.66940	1.1
76.99442	1.0
79.05487	1.9
81.03417	3.9
85.02899	3.4
88.42006	1.3
91.05505	4.5
94.04209	1.3
95.04979	4.1
97.06525	1.4
103.05461	20.9
104.60108	1.5
105.07024	2.2
107.04974	3.3
108.02090	1.3
109.02928	1.3
109.06545	2.4
111.04441	1.5
115.05453	3.5
117.07024	3.7
118.04199	2.8
119.04944	6.4
121.02906	1.2
121.06496	2.5
122.03662	3.5
123.04431	2.2
125.06006	2.0
129.07018	1.6
131.04919	35.5
133.02846	3.7
133.06519	3.7
135.04454	1.4
135.08083	3.4
137.05969	73.0
138.06303	2.1
141.05472	1.6
143.04932	2.6
145.06421	5.4
147.04402	8.7
147.07980	1.5
148.05162	9.0
149.06013	2.4
151.03905	86.8
151.04977	6.1
151.07529	2.8
152.04308	1.6
153.05481	3.7
157.06500	1.5
160.05244	2.3
161.05960	4.8
162.06866	1.5
163.07533	26.5
165.05470	5.1
167.07036	16.7
171.04372	1.5
173.06007	3.9
174.06773	2.1
175.07536	9.5
176.04753	1.3
177.05460	6.5
177.09073	1.4
179.07034	5.7
181.04951	24.7
181.06419	2.0
187.07588	4.0
189.09071	2.5
190.06233	1.8
191.07021	100.0
192.07495	2.6
193.04990	1.5
193.08630	2.7
199.54842	1.3
201.05431	1.3
203.07062	4.9
205.06784	1.8
205.08629	5.2
207.10182	1.6
209.08064	5.5
217.08624	1.7
219.10172	2.0
223.09731	1.4
231.06528	1.8
233.08009	5.5
234.06671	1.5
235.09615	5.6
237.09030	2.3
249.08997	2.0
259.09698	2.3
263.09167	24.3
267.10257	1.5
277.08578	1.6
293.07962	2.0
295.09628	2.3
307.09546	1.4
325.10794	1.8
327.12204	3.5
329.13876	2.1
337.10928	1.4
339.11789	1.3
341.13797	1.8
355.11740	11.6
357.13318	2.8
359.14871	2.9
369.13269	5.9
370.08878	1.3
387.14349	57.3
388.14758	3.0
405.05792	1.2
423.10211	1.2
445.20367	3.9
517.18878	3.0
549.21167	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	764.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
60.80707	0.5
61.02922	0.7
65.03939	17.0
67.05489	2.4
69.03424	1.4
70.06594	2.9
71.42872	1.0
73.02902	0.6
79.05476	1.8
81.03413	0.8
82.04208	3.0
84.08146	0.8
85.02916	3.5
89.47373	0.6
91.05476	4.6
93.03399	10.7
95.01311	2.5
95.04952	3.8
97.02897	1.4
97.06525	1.1
103.05464	1.9
105.04467	0.8
105.07020	2.0
107.04953	2.1
108.02087	1.1
109.02867	1.0
109.06497	0.8
109.09077	0.5
110.03655	18.6
111.04439	25.3
115.05456	1.5
118.07418	0.6
119.04932	4.7
119.08617	0.7
121.02861	17.4
121.03802	1.1
121.06495	1.5
123.04411	0.9
125.05984	22.7
127.03926	0.8
129.06960	1.4
131.04904	2.7
133.02806	4.4
133.06458	1.7
137.05983	8.8
138.03090	1.7
143.04968	0.6
144.05672	0.8
145.06482	2.5
146.07214	0.6
146.69879	0.6
147.04428	4.8
147.08060	1.3
148.05186	0.7
149.05957	2.5
151.03914	1.4
151.07545	2.8
153.05460	100.0
154.05797	2.8
155.04840	0.7
159.08017	4.6
160.05203	1.0
161.05966	3.2
163.03885	2.2
163.07562	1.6
165.05434	1.4
165.06847	0.6
166.07724	0.7
167.07040	14.2
167.08484	1.1
171.04361	1.0
173.06059	0.7
174.06779	1.7
175.07556	6.4
176.08220	0.9
177.05450	2.5
177.09076	0.8
178.07776	1.1
179.07011	2.8
179.08496	1.3
181.04936	2.4
181.06400	1.3
182.07243	1.3
186.06718	0.8
187.07487	3.1
189.05446	1.2
189.06940	0.7
190.07773	0.7
191.07004	2.5
191.08557	2.2
191.64247	0.6
193.06523	0.7
194.07254	1.5
195.07957	3.1
196.08887	0.9
197.05884	0.8
197.09636	1.5
197.43405	0.6
199.07622	1.7
202.07835	0.9
203.06920	1.0
203.08586	0.9
204.07741	1.7
205.06540	1.7
205.08559	1.6
206.07257	1.5
207.08055	2.3
208.08737	1.6
209.08037	2.0
210.06754	1.9
211.07474	1.8
215.07010	0.8
216.07849	6.1
217.08521	1.0
218.07275	1.8
219.08009	4.8
220.08801	2.2
221.05986	2.1
222.06752	1.2
223.07481	3.1
223.11127	0.7
224.08296	2.1
225.09082	3.0
226.06212	2.1
226.09645	0.8
229.08530	2.5
233.06042	1.3
233.09648	1.2
234.06731	1.4
235.07506	2.7
235.09648	0.8
236.08293	5.3
237.09117	2.8
238.06163	0.8
238.09875	0.9
239.06990	5.3
239.10770	1.6
240.07733	1.0
241.08614	0.8
247.07530	1.6
247.09669	12.4
248.08264	2.1
249.09061	2.4
250.09828	0.8
251.06966	2.1
251.10628	5.7
252.07813	1.9
253.08591	11.6
254.09320	4.1
255.06697	0.9
255.10060	1.2
261.09122	0.9
263.07004	1.7
263.10718	1.0
264.07797	3.8
265.08667	3.6
266.09290	1.5
267.10129	2.8
268.10947	0.9
269.08188	0.6
269.08911	0.7
269.11731	6.2
270.08783	0.9
275.06845	1.6
276.07748	2.4
277.08554	2.7
278.09357	1.2
279.06979	0.9
279.10110	5.3
280.10751	0.7
281.08105	1.9
281.11728	1.8
282.08841	4.0
283.09647	2.2
285.07425	0.9
287.05099	0.9
289.08646	0.7
290.09277	0.8
291.10257	1.8
292.07431	1.0
293.08081	1.9
293.11627	0.9
294.08771	2.7
295.09488	3.1
296.10394	1.5
297.11203	11.0
298.11920	1.0
307.05960	0.9
307.09595	14.9
308.10367	1.9
309.11127	1.7
311.09216	1.1
311.12781	1.5
319.09601	1.9
321.11194	0.9
323.12881	1.2
324.09857	0.8
325.10687	53.3
326.11014	3.2
327.12173	2.2
329.13699	1.7
337.10736	3.2
339.12256	38.1
340.12805	3.4
341.13806	5.4
351.12302	7.0
352.12689	1.1
353.13913	0.9
355.11728	1.2
357.13303	67.0
358.13715	2.8
369.13297	10.1
370.14011	1.9
387.14285	6.4
489.19019	2.0
499.17694	0.7
501.19138	1.3
507.19888	1.0
588.08679	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	764.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
57.07072	4.2
59.04970	0.3
69.07056	0.5
71.08627	8.7
73.02903	1.0
73.06538	0.8
77.19846	0.3
77.84592	0.2
79.05482	0.9
81.03381	0.4
81.07039	0.6
85.10172	4.9
85.46414	0.2
86.09700	0.8
87.04459	100.0
88.04791	0.8
89.05521	0.5
89.06020	5.0
91.05468	3.3
93.07036	1.4
95.04950	1.0
103.05465	0.9
104.45327	0.2
105.04512	0.3
105.07021	7.1
106.07371	0.7
107.04939	1.0
107.08588	0.7
110.83060	0.3
117.01926	0.3
117.07038	0.5
117.09130	0.6
118.07789	0.6
119.04939	0.6
119.08570	1.1
121.06484	3.7
121.10146	0.5
123.38120	0.3
124.99982	0.8
127.14828	0.5
131.07022	4.3
131.08566	0.7
133.08574	3.1
135.08055	1.3
135.11673	0.5
145.10077	0.5
147.08032	2.2
147.11702	0.3
149.09587	1.5
150.06705	0.3
159.11682	0.3
163.11160	0.9
165.09071	1.5
167.10704	0.5
175.09697	1.5
177.11206	1.1
184.07336	3.2
191.10655	0.9
193.10677	0.3
193.12253	0.8
202.23610	0.2
209.11760	0.7
211.13351	0.7
219.12256	4.2
225.12692	0.4
228.94633	0.4
235.13255	0.6
245.82820	0.2
247.20560	4.0
255.15938	0.6
263.14859	0.5
267.15915	0.8
273.22244	0.7
291.23129	7.4
292.23526	0.5
299.18491	0.3
303.87445	0.3
317.24747	0.7
335.25735	1.3
339.29059	0.5
340.03815	0.3
345.61172	0.3
397.64728	0.3
530.10571	0.4
531.40381	0.7
570.20618	0.3
709.66168	0.3
764.51691	5.7
765.51965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
55.76085	0.6
57.03428	2.3
60.83537	0.6
61.02924	5.2
63.05228	0.6
64.79182	0.6
67.05498	4.3
69.03429	3.3
69.07069	1.7
71.43661	0.6
73.02905	4.6
79.05489	3.8
81.03422	3.3
81.07051	4.5
83.04971	0.7
87.04472	1.9
89.06037	2.1
91.03959	3.9
91.05486	3.3
93.07049	4.7
95.05011	1.5
95.08607	2.8
97.02908	4.0
97.10155	0.8
99.04434	0.9
101.02385	2.0
105.07027	8.1
107.08616	2.3
109.10164	1.0
111.08089	0.9
119.08607	1.7
121.10181	2.1
127.03967	1.1
131.08553	1.4
133.08571	1.0
133.10161	1.1
135.11732	1.1
139.01572	1.7
139.11182	0.7
141.77931	0.6
145.10251	0.7
147.07997	1.5
149.09659	1.3
153.03123	0.6
157.10167	1.0
160.57652	0.6
173.13364	0.6
175.11215	0.8
185.04210	1.0
193.12251	1.3
198.73662	0.6
203.05290	0.6
225.10971	0.7
243.08530	2.5
269.13660	2.2
302.98193	0.6
335.25745	0.8
443.18884	4.4
469.20618	2.1
487.21481	6.2
519.29211	7.4
626.93573	0.7
721.41412	2.0
747.42889	2.2
765.43829	100.0
766.44537	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	766.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.7
59.09433	0.6
69.19134	3.1
93.93718	0.6
96.04482	0.8
103.05463	11.4
105.03407	0.9
109.02928	0.8
124.03970	1.3
126.05518	1.1
127.60626	0.5
131.04919	30.3
132.05251	1.0
137.14041	0.6
140.01651	1.2
142.06700	0.7
176.79533	0.6
190.01350	3.0
204.01268	0.8
204.03029	1.8
208.02505	1.6
232.02505	3.3
236.98547	1.5
244.00613	0.7
245.98720	0.8
248.98712	0.7
257.98569	0.6
260.00146	1.6
263.99631	0.7
264.98154	0.6
265.03284	1.2
272.00204	2.0
273.05103	0.8
273.97946	2.9
281.98578	0.7
285.00681	0.8
286.01566	0.7
287.99570	0.8
296.00296	0.7
297.98132	0.8
299.99777	1.5
301.97540	2.8
311.99582	1.2
313.97617	0.9
314.01291	1.5
321.02719	0.6
323.00629	0.7
327.98849	2.9
328.97498	1.7
329.96994	9.7
331.98788	1.0
332.96982	0.9
336.08710	1.7
337.97397	1.1
341.97021	2.3
342.00751	2.0
345.96408	1.0
346.00449	0.9
347.98096	4.7
351.00250	1.0
355.98505	4.4
356.97092	1.2
359.98215	0.7
365.97098	2.1
366.97797	0.7
367.98856	1.5
369.01480	1.1
370.00174	1.4
373.99622	1.2
378.99625	0.8
382.00385	1.1
383.98090	2.5
386.00006	0.6
388.01227	1.0
393.96591	0.6
395.98010	3.8
401.99097	1.1
409.99637	8.8
411.97522	18.0
412.98312	1.8
413.99179	3.3
414.04184	0.7
428.00943	1.3
429.98615	13.2
437.99210	7.3
455.01346	6.1
456.00397	1.6
468.05740	1.1
470.03317	0.9
472.04730	0.9
474.02805	0.7
483.06174	1.2
486.06491	1.3
488.04370	1.1
496.05182	1.1
500.04318	4.3
514.05902	4.0
516.04047	3.3
542.05597	3.6
559.07922	7.4
560.06921	1.0
618.11987	2.1
620.10229	2.5
622.12152	0.9
646.11530	13.9
647.11981	1.0
663.14246	100.0
664.03821	1.0
664.14545	8.7
691.13501	8.6
692.13470	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	766.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
56.05032	3.1
64.77991	0.4
65.03925	0.9
67.05477	0.5
68.99778	0.9
69.03410	0.9
70.06591	4.3
71.42926	0.5
72.35307	0.4
79.05486	1.3
81.03420	0.7
81.07046	0.6
81.54641	0.4
85.02895	1.0
89.03914	0.9
91.05461	1.6
93.03423	1.3
95.04966	2.5
96.08112	2.0
103.05453	3.9
105.03386	1.7
105.04482	0.4
105.07044	0.6
107.04950	1.1
109.02878	0.8
110.06031	8.0
111.04428	0.6
112.07599	1.0
112.72420	0.4
117.03363	0.5
119.04922	0.6
121.02853	0.8
123.04429	2.6
127.03872	0.6
131.04913	12.4
132.05241	0.7
133.02853	1.7
135.04411	1.4
140.07033	0.6
145.02824	1.5
146.03238	0.5
147.04420	0.7
151.03870	2.7
153.01825	0.8
163.03894	10.3
163.07521	0.5
164.04231	3.8
164.07042	0.5
165.01880	0.8
165.04333	0.7
168.06540	1.4
169.01321	2.4
172.03914	0.9
173.02400	0.9
175.03871	1.0
179.03441	2.4
180.06552	1.3
181.01318	1.4
181.04939	1.5
183.02887	0.6
183.04402	0.7
189.01759	1.2
190.01329	0.7
190.04997	1.8
191.03386	6.6
192.06493	2.8
193.04979	1.3
193.33403	0.4
199.02257	2.1
200.03450	0.8
201.01782	2.4
207.02859	21.5
208.02441	0.8
208.06012	6.3
209.04427	2.8
210.07664	2.1
211.05956	0.8
218.04483	5.2
219.02901	7.7
225.03928	1.9
236.05511	17.6
237.03864	6.3
237.05954	0.7
254.06578	2.3
269.08038	0.7
271.06006	2.7
276.10236	2.0
278.11642	1.1
294.11188	2.3
296.12778	1.0
299.02042	1.0
299.05481	18.6
300.05716	0.5
301.10916	0.6
303.93674	0.5
304.09592	0.9
305.08118	0.9
311.09079	9.6
312.09195	0.6
312.12335	1.7
313.07162	1.0
314.07889	2.7
322.10733	4.4
323.08838	0.8
329.10168	30.1
330.10443	1.2
340.11801	11.6
358.12817	100.0
359.13092	3.5
409.00732	0.8
409.05844	11.3
410.06140	0.5
557.40985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	2.8
57.49360	0.8
65.03928	1.5
66.92209	0.6
67.05483	1.8
69.47387	2.9
70.06590	3.7
74.15682	0.8
79.05484	0.9
87.04463	1.1
91.05471	1.6
93.03407	0.8
95.04957	2.2
96.08111	2.0
97.81533	0.9
98.06038	1.3
103.05468	4.2
105.03378	2.3
107.04954	1.4
110.06052	9.0
112.07613	0.9
119.04948	1.2
121.02853	2.3
122.06009	0.8
123.04377	1.9
125.02309	0.6
126.05511	1.3
127.57395	0.8
131.04919	12.3
133.02824	1.9
140.07019	1.1
145.02875	1.0
147.04427	0.7
147.50861	0.7
150.05600	1.0
151.03920	1.9
153.01826	4.8
163.03918	2.9
165.01778	0.8
168.02943	1.7
168.06572	1.7
169.01338	3.2
173.02357	1.4
179.03403	2.5
180.06564	0.9
181.01306	4.2
181.05017	0.7
183.04428	1.0
189.01801	1.1
190.04919	1.4
191.03348	5.0
192.06528	2.7
193.04982	1.2
195.02896	2.9
199.02354	5.4
201.01801	2.5
207.02881	18.8
208.06009	3.6
209.04466	1.5
210.07593	2.4
211.05849	1.0
218.04472	3.6
219.02890	7.4
225.03917	1.4
236.05536	17.3
237.03888	4.5
239.06953	1.2
243.06622	0.8
248.10669	0.8
254.06610	1.9
271.05991	11.6
272.09366	1.3
273.52692	0.7
276.10492	0.8
282.08789	0.9
285.07538	1.0
294.11362	2.3
296.06821	0.9
296.12836	1.0
299.05490	70.3
300.05856	2.2
301.10684	4.1
304.09784	1.2
311.09131	8.2
312.12381	2.0
313.07068	4.9
314.07803	12.4
322.10736	3.6
329.10181	100.0
330.10568	5.5
340.11777	12.7
356.49185	1.0
358.12833	93.5
359.13141	5.4
409.05856	60.2
410.06143	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	766.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
65.03939	4.8
67.05515	1.9
69.03437	2.7
70.06590	0.8
71.42406	0.8
75.04483	3.2
76.98989	0.7
77.03929	1.1
78.04710	3.3
79.05500	5.1
81.03415	4.3
85.02895	9.7
86.03242	1.0
87.00851	1.9
89.03938	1.7
89.06020	1.2
91.05477	11.9
93.03397	12.3
93.07042	7.0
95.04968	8.2
97.02898	3.8
97.06557	2.3
99.04440	0.8
100.01825	0.7
100.11261	1.4
103.05463	11.0
105.01845	3.6
105.03400	0.9
105.04531	2.6
105.07024	21.5
106.04163	30.5
107.04963	2.9
107.08670	0.8
108.02116	2.1
109.02869	4.2
109.06530	1.5
110.06021	1.2
111.04436	3.3
115.05454	3.7
117.03406	1.2
118.04140	2.7
119.04951	1.4
121.06493	34.5
122.07321	1.0
123.04427	1.9
123.08051	1.5
124.05127	0.8
125.05975	10.4
127.03899	5.7
128.04192	0.6
131.04895	5.3
133.02762	0.8
133.06479	21.6
134.03619	4.6
135.04405	1.8
137.05981	4.4
138.06819	1.2
139.07561	2.3
141.05449	1.6
143.06042	1.6
145.02831	2.1
145.04956	1.6
148.05168	4.4
149.05969	47.0
150.06375	0.8
151.03899	86.7
151.04961	6.1
151.07423	1.3
152.04207	1.6
152.08318	0.8
153.05464	1.6
153.09090	12.5
161.05968	42.9
162.06339	0.8
163.03882	2.1
163.07521	5.4
165.05568	0.9
166.06210	2.0
167.07030	2.7
168.17482	1.1
169.04944	9.0
177.03937	1.4
177.05461	23.4
177.09193	0.7
180.07837	1.0
181.05101	0.8
181.08594	24.5
182.08809	0.9
182.15326	0.9
189.03967	0.6
191.05289	1.3
191.07014	23.0
192.07280	0.8
193.08592	40.1
194.08893	1.4
195.06473	1.4
207.02837	1.2
209.08070	100.0
210.08446	2.6
221.95572	0.7
231.04980	1.5
236.05492	1.3
249.05959	0.8
250.06589	0.7
287.09259	1.3
295.08093	4.6
299.05466	2.9
313.09198	6.7
329.10120	4.5
358.12778	6.4
371.14877	1.3
383.14679	0.7
387.14200	1.9
409.05478	2.0
456.02847	0.8
506.92148	0.7
641.68707	0.8
748.06189	0.9
765.57080	2.0
766.58313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.7
56.05034	3.5
58.99567	1.5
60.04507	1.7
65.03944	1.5
67.05489	5.6
68.05035	3.1
69.03423	12.2
69.07066	3.2
70.02950	2.6
70.06579	1.5
70.71059	2.1
71.04985	1.2
74.00659	1.2
78.03452	3.3
79.05478	6.8
80.05023	11.0
81.03425	3.2
81.07045	8.1
82.06569	9.3
83.04983	7.0
83.06107	3.1
84.04494	31.0
84.08110	1.2
85.02913	2.6
86.00631	5.8
86.06059	1.8
88.02216	5.9
88.03983	27.8
91.05489	10.3
93.07037	9.3
94.06556	3.0
95.04965	3.1
95.08598	8.6
96.04494	4.0
96.17419	1.0
97.01099	2.2
98.06030	1.4
102.05555	1.4
103.05450	2.5
105.07020	12.6
106.02897	7.9
106.06535	3.0
107.08577	8.3
108.04477	3.2
108.08110	2.5
109.06508	1.5
109.07639	3.5
109.10163	2.6
110.06030	6.5
110.08177	1.1
111.02702	1.5
111.04413	10.3
112.07600	9.0
112.64706	1.1
114.05509	2.1
115.05470	1.6
116.01690	1.5
116.03434	2.5
117.07021	7.1
119.08559	15.3
120.08100	2.0
121.06510	1.5
121.10155	7.1
122.02708	3.0
122.09676	1.0
124.03945	100.0
125.07131	7.4
126.05503	3.6
128.06218	1.4
129.06834	4.4
130.05002	16.7
130.07788	2.2
131.04950	2.1
131.08554	14.5
132.01138	12.1
132.08186	1.3
133.10150	8.6
134.02722	2.8
135.08022	1.1
135.11703	1.7
136.07555	2.2
137.04271	1.5
137.05959	7.3
138.06358	2.5
138.09142	1.4
141.07019	2.7
142.03221	3.0
142.07780	3.8
143.08549	9.6
144.09265	1.9
145.10112	40.7
145.11223	2.5
146.10568	1.5
147.11685	3.8
148.07603	3.1
149.04308	1.1
149.09634	1.4
150.09163	3.4
151.03899	5.1
152.04265	2.4
153.06648	4.9
154.05003	6.2
154.07719	1.4
155.08203	7.6
156.06540	7.9
156.09364	3.3
157.10106	17.5
158.10870	3.1
159.08086	1.3
159.11685	17.5
161.13234	2.7
162.09169	1.3
165.07005	2.0
167.07080	2.3
167.08554	3.1
169.10107	9.3
170.10869	3.5
171.07639	19.8
171.11647	7.9
172.12500	6.6
173.13272	3.9
179.08525	4.3
180.09410	1.6
181.04791	1.6
181.10094	6.9
182.10834	2.2
183.11656	8.8
185.03842	3.1
185.13243	15.0
187.14803	94.6
188.03754	2.5
188.15138	3.2
190.05391	1.7
191.07127	5.5
192.06589	2.1
193.10147	5.2
194.08110	1.8
194.10957	1.8
195.11714	5.8
196.12483	4.6
197.13257	7.2
199.07201	3.4
199.14786	6.6
200.05589	2.7
203.08778	2.0
205.10144	2.5
206.10863	1.6
207.11720	3.8
208.12453	2.1
209.13274	6.3
210.13879	1.7
211.14796	13.4
213.16278	2.3
217.08228	18.0
217.10158	2.5
219.11856	6.2
220.12445	2.7
221.13377	2.2
222.07639	1.7
231.04213	6.3
231.11867	2.8
233.13283	2.2
234.04245	2.0
234.13924	1.5
235.10878	2.1
235.14861	5.9
237.16449	2.7
239.14449	1.4
245.13568	1.6
246.13983	1.2
249.05431	2.1
249.12756	1.5
251.17786	1.9
253.15877	2.7
261.16306	2.8
267.12231	1.5
269.19153	1.5
278.18915	3.0
279.17352	6.0
297.18430	11.4
308.16818	5.3
356.61649	1.2
364.32452	1.2
387.14459	1.3
400.19382	4.7
418.20441	24.2
436.21436	2.4
467.23657	2.7
485.24530	4.4
497.24820	1.2
511.22714	6.2
523.22589	3.4
529.23627	14.3
530.23901	1.6
541.23700	10.0
542.23596	1.9
547.24561	3.5
559.24927	2.8
584.23108	2.8
601.25665	30.4
602.25031	2.9
608.27948	8.3
619.26666	13.4
620.26544	1.5
626.28632	6.0
634.24982	1.4
652.26849	16.3
653.26971	2.1
668.29919	3.4
670.27502	5.1
712.16919	2.3
712.28912	37.7
713.28802	4.3
730.30048	13.7
731.29498	2.0
748.31165	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	766.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.05502	1.7
57.03429	0.8
67.05497	6.5
69.03428	57.6
69.07056	1.8
71.43339	0.8
73.02914	8.6
75.30875	0.9
78.03454	2.2
79.05492	1.5
80.05009	2.1
81.03413	3.5
81.07057	3.1
83.04967	5.4
85.02917	2.5
85.06538	1.6
87.00823	2.2
87.04462	13.9
91.05489	2.8
93.07039	3.0
95.04946	1.7
95.08623	4.9
96.04482	1.9
97.02884	3.1
97.06514	1.5
98.95198	0.7
99.04472	0.9
105.01882	1.2
105.07018	5.1
106.02924	2.5
107.08602	2.9
109.02823	0.9
109.10133	1.4
111.08092	1.3
113.06004	62.9
117.07031	2.1
119.08569	3.5
121.10153	1.8
122.39634	0.8
123.08067	1.2
124.03950	100.0
127.03918	3.3
129.06956	0.9
131.08592	3.6
133.08572	1.1
133.10120	3.1
141.06981	0.9
141.09154	1.1
143.08560	2.8
145.04980	0.9
145.10144	5.2
147.04349	0.9
147.08012	0.8
147.11682	2.2
155.08572	2.3
156.09311	1.5
157.10104	5.1
157.89424	0.8
159.11687	5.2
163.03893	1.1
169.10149	2.8
170.10837	1.3
171.11665	4.9
173.13300	1.9
180.09354	1.1
181.10143	2.0
182.10800	0.9
183.11699	2.9
185.13251	3.6
187.14819	4.0
195.11722	1.9
196.12450	1.9
197.13200	1.4
199.14827	1.4
199.85509	0.9
201.12770	0.8
201.16360	1.2
203.14320	2.3
205.15848	3.0
207.11722	1.1
209.13162	1.4
211.14798	6.2
213.16377	5.5
215.14368	1.0
217.12137	1.4
219.12173	1.2
221.13287	1.5
227.18004	1.1
229.15927	3.1
237.16463	2.4
244.97343	0.8
253.19485	2.5
255.17641	1.0
263.17883	1.1
271.20740	1.6
279.74033	0.8
281.19003	7.5
299.20035	10.8
307.02240	1.5
317.21072	2.8
326.17343	1.3
328.19061	11.1
388.21387	1.1
411.14047	1.4
422.23190	3.7
440.24258	17.8
500.26389	18.7
584.39545	0.8
604.25037	1.2
637.74402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.07073	16.6
59.04987	0.7
62.54084	0.5
66.28339	0.5
69.03430	0.6
69.07046	1.7
69.19074	3.0
71.08627	35.7
73.02884	0.8
73.06566	3.3
78.88392	0.6
79.05492	1.5
85.10174	17.8
87.04462	28.0
89.06023	100.0
90.06390	0.6
91.05466	7.7
91.07603	0.7
93.07030	3.2
95.04983	1.7
95.08567	0.9
98.23442	1.3
103.05468	1.1
104.06223	0.8
105.04522	0.8
105.07029	3.9
107.04932	2.5
107.07063	1.7
107.08573	2.0
115.05421	0.6
117.06991	1.8
117.09133	2.4
118.07793	1.5
119.04949	1.7
119.08572	2.7
121.06496	15.0
121.10132	1.1
123.08056	0.7
127.14813	2.2
129.06926	0.6
130.08638	1.1
131.07033	12.1
131.08562	1.2
133.08592	80.6
134.08974	0.8
135.08098	3.5
135.11667	0.9
145.10083	1.1
147.08046	8.2
149.09590	4.8
154.91422	0.6
159.11713	1.0
163.07550	0.8
163.11168	3.0
165.09109	6.1
167.10672	2.5
173.09717	0.8
175.09665	9.3
175.11121	1.2
177.11201	28.4
177.12532	1.1
181.95526	0.6
184.07306	0.6
189.12733	0.7
191.10672	3.8
191.14307	0.9
193.12238	1.2
207.13831	0.7
209.11719	3.6
211.13280	3.1
219.12340	1.5
221.13774	5.5
230.71127	0.7
235.13269	3.3
245.19022	0.7
247.20575	15.6
248.20953	0.6
253.14188	1.1
255.15923	2.9
265.16394	1.8
273.22098	5.7
279.15915	1.5
283.17438	1.3
289.21829	0.8
289.25195	2.1
291.23151	33.1
292.23416	1.5
299.18372	1.6
309.18869	1.1
317.24762	3.1
318.24850	0.6
333.24316	0.8
335.25699	6.6
365.94077	0.5
397.24139	0.6
451.37375	0.7
467.61203	0.5
623.36554	0.9
658.86102	0.6
749.49884	4.0
766.53870	4.7
767.44543	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	768.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	26.2
69.73716	7.0
85.02895	2.0
87.00806	5.2
93.29887	1.7
94.38902	1.6
103.05428	2.3
105.07024	8.0
115.00301	2.8
131.04921	12.1
147.04408	4.2
149.44048	1.9
169.01314	19.0
182.99297	2.6
201.00281	100.0
264.13501	2.1
287.05493	79.9
288.05930	2.5
289.07047	35.1
303.05090	3.2
310.21475	2.1
321.64462	2.0
329.60806	2.1
430.32312	2.1
447.26630	1.9
652.91852	2.3
742.94946	2.1
786.83777	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	768.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	15.5
57.03431	1.8
63.25832	1.1
69.03437	1.4
71.04996	6.8
83.06107	1.8
84.04503	23.2
85.02915	11.3
95.04964	1.5
97.57383	1.1
99.02689	1.2
111.04408	2.4
112.03958	21.1
116.67166	1.2
126.05539	1.7
127.02124	5.7
129.06599	8.7
130.05000	100.0
147.02649	13.7
152.03574	1.3
152.04628	5.7
155.01607	16.7
166.75583	1.3
167.01665	7.4
168.02425	2.9
175.02130	13.4
185.02676	18.2
193.03181	82.8
211.04266	14.4
222.07692	5.3
228.06863	4.1
258.09650	1.4
294.07971	3.4
296.05893	16.2
314.06967	12.3
315.41977	1.3
322.07294	1.4
331.09579	55.4
332.09494	1.2
385.10699	10.8
397.10489	1.8
404.38669	1.3
441.09494	7.5
460.13837	72.8
461.14087	1.4
493.14923	4.1
502.15158	3.2
552.16150	2.9
622.18958	15.4
768.23859	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74953	0.5
55.01880	1.1
57.03448	1.6
57.07073	75.8
61.02927	4.5
62.47803	0.5
69.03427	6.1
71.03373	0.7
71.04997	1.5
73.02908	2.5
81.03419	4.1
85.02901	22.0
85.06536	15.7
85.07052	0.7
87.04479	0.5
91.03951	5.6
97.02887	11.2
99.04465	3.1
101.02394	1.0
103.07549	2.4
109.02863	5.1
115.03931	0.8
127.03911	18.8
127.04867	1.0
134.84906	0.5
145.04950	14.1
163.06004	11.8
169.08528	0.5
175.09694	1.4
229.10686	15.0
247.11755	100.0
248.12166	2.3
271.08145	0.7
325.11258	3.0
391.15912	5.2
409.16397	1.2
695.32880	0.5
733.76141	0.7
776.29974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03443	2.0
57.07072	76.3
58.07407	0.7
60.29963	0.4
61.02917	5.2
66.94666	0.6
69.03429	7.0
70.63518	0.5
70.67691	0.9
71.04990	0.9
73.02905	2.7
81.03415	4.9
85.02898	24.1
85.06538	16.2
89.06387	0.5
91.03951	5.1
97.02888	10.9
99.04443	3.1
100.27194	0.5
101.02373	0.9
103.07599	2.0
109.02883	5.2
115.03892	0.5
120.78710	0.5
123.69836	0.5
127.03904	18.3
131.07504	0.5
145.04951	13.8
163.06015	12.5
169.08632	0.6
175.09630	1.2
185.12160	0.5
187.09688	1.3
193.20686	0.5
211.09613	0.5
229.10715	12.5
247.11755	100.0
248.12106	1.6
271.07983	0.7
289.09186	0.6
325.11279	2.0
391.15884	5.0
409.17099	1.9
425.45364	0.6
553.21387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.3
55.76772	0.7
56.05031	1.8
56.23132	0.7
57.07072	0.8
58.99595	1.2
65.03924	0.8
67.05505	4.4
68.05023	1.1
69.03418	1.7
69.07078	3.7
69.18464	0.6
70.02953	1.2
70.06593	1.7
71.04979	2.4
71.41264	0.5
76.02216	1.4
78.03461	0.8
79.05497	4.2
80.05011	2.2
81.07048	4.6
83.04995	1.8
83.06100	1.5
83.08627	1.0
84.04501	13.2
85.02894	0.8
85.06525	0.9
86.00661	0.9
88.02216	3.5
88.03996	11.3
91.05482	6.4
93.07040	5.9
95.04961	2.0
95.08608	6.3
96.04489	1.5
97.06521	5.2
98.06068	0.6
105.04513	0.8
105.07032	6.7
106.02914	1.6
106.04165	1.1
107.06051	0.8
107.08589	3.1
108.04496	1.0
109.06519	0.8
109.07635	1.7
109.10139	2.0
111.08056	0.7
114.05457	0.7
115.05435	1.2
115.07564	3.5
116.03397	0.6
117.07028	4.6
119.04959	0.7
119.08582	6.7
121.06541	1.3
121.10158	2.9
122.02721	1.2
123.08032	0.9
124.03952	36.2
125.04225	0.8
125.07092	3.6
126.05495	1.0
128.06218	1.8
129.06860	1.8
129.09082	0.7
130.05013	7.0
130.07800	1.5
131.08562	8.2
132.01131	4.8
133.10117	3.6
134.02744	0.7
135.11681	1.0
137.05972	1.7
141.07008	1.2
142.05136	1.0
142.07797	1.1
143.08536	5.5
144.09297	1.4
145.02908	0.9
145.10123	31.2
146.10573	1.1
147.04388	2.7
147.08029	1.0
147.11668	2.5
149.05966	1.7
153.06592	1.0
154.04959	3.1
155.08218	3.4
156.09306	1.8
157.10130	7.7
158.10873	3.4
159.11690	11.6
161.13217	1.4
163.05727	1.2
167.08591	1.2
169.10135	3.1
170.10866	1.5
171.07660	7.8
171.11681	6.3
172.04326	0.8
172.12418	5.0
173.13219	3.4
175.14883	1.0
177.05441	2.0
181.10078	1.8
182.10829	1.0
183.11700	4.4
185.03741	0.9
185.13260	4.4
187.14815	100.0
188.15163	2.5
193.10109	0.9
195.11653	1.6
197.13255	4.1
199.07216	1.1
199.14792	1.4
200.05466	1.1
201.12823	0.9
201.16451	1.0
207.11789	0.8
209.08031	1.6
209.13243	1.8
210.08415	1.2
211.14772	2.8
213.16394	2.2
215.67671	0.8
217.08221	10.4
219.11964	2.2
221.13423	1.7
222.56831	0.7
223.14760	1.2
231.04338	4.2
237.16382	1.3
239.18030	1.4
249.05377	0.7
251.06868	1.1
265.19556	1.1
273.18573	0.9
283.20563	4.0
301.18469	0.9
301.21609	10.8
308.09000	0.8
308.16757	7.9
342.53091	0.7
404.22290	2.7
422.23560	8.4
431.19760	3.4
440.24612	1.5
504.82849	0.7
542.23065	1.2
545.26703	4.8
555.22296	1.7
563.27820	7.6
605.28632	1.8
623.29907	7.1
624.29535	0.9
641.30786	1.1
656.29907	0.7
674.30884	2.1
692.31586	1.2
734.33344	3.4
752.34528	4.8
770.34192	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	771.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02380	1.1
69.03427	0.9
78.04703	0.9
85.02921	0.4
89.03912	13.9
90.62453	0.4
91.05482	1.0
95.04977	0.7
103.03973	0.5
104.07045	0.4
106.04176	0.8
109.02844	0.4
109.42102	0.4
115.05447	0.8
117.03371	31.6
117.76151	0.4
118.03647	0.6
119.04951	1.1
121.02850	5.2
121.06586	0.4
134.03635	2.0
135.04420	1.9
137.05994	0.5
145.02838	75.1
146.03181	1.4
147.04343	0.5
149.05972	10.6
157.02997	0.4
159.04379	0.8
161.05965	0.5
163.03815	0.9
175.07658	0.6
177.05457	100.0
178.05841	1.8
186.05530	0.7
187.07529	0.5
189.01820	0.7
191.03357	1.2
199.16829	0.4
201.05421	2.0
203.03447	0.7
205.04912	0.8
207.02821	0.8
209.04437	0.4
217.04912	0.5
219.02914	0.5
219.06505	1.8
228.07852	0.4
241.04814	0.5
268.07211	0.8
271.05927	0.4
279.06760	0.8
281.08051	0.9
283.06000	1.9
284.06723	0.9
293.08020	0.4
294.05261	2.2
295.05994	5.9
296.06549	0.8
297.07477	1.0
307.05963	8.9
308.06757	2.9
309.04160	0.7
309.07468	5.1
313.07040	6.5
319.05957	1.4
321.07208	2.7
322.08206	1.2
323.05661	0.5
323.09210	0.8
325.07016	8.6
333.07587	1.1
335.05432	0.7
335.09131	1.2
337.07034	15.9
338.07294	0.6
339.04663	0.5
339.10898	3.6
345.07495	0.7
347.09079	1.3
349.07013	3.2
351.08487	1.8
355.08081	3.9
361.06931	1.9
363.08453	0.8
365.10138	0.8
367.08032	1.5
373.06870	1.0
375.08459	1.2
377.06348	0.5
379.08105	6.4
380.28009	0.4
391.08090	2.8
395.09238	0.5
397.08942	0.9
403.08096	2.9
409.09024	2.1
415.10501	3.2
421.09128	4.9
423.08472	0.5
427.09924	1.3
429.11847	0.9
433.11246	5.4
439.10129	4.0
441.09918	0.9
445.09216	0.7
453.09409	0.6
455.11008	1.0
457.04794	0.8
457.11273	15.1
458.11652	0.9
463.10364	0.7
467.11078	1.1
471.10538	0.7
475.12018	4.1
481.11374	1.9
483.10675	0.8
485.12289	3.3
495.10718	3.0
499.11899	1.7
509.11624	0.4
511.11917	1.7
513.11688	7.2
523.12231	2.6
531.12781	6.4
537.11407	1.1
541.13214	1.7
559.14203	2.0
577.15491	2.5
579.12695	1.0
597.13275	1.7
615.14844	4.7
633.06897	0.5
633.15887	5.4
651.16931	11.5
652.16541	0.8
735.18994	0.7
753.19312	1.1
771.27112	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
61.02927	1.8
69.03420	8.3
71.40560	1.5
73.02914	1.7
78.03451	15.8
80.05016	2.2
81.03406	5.5
85.02908	12.5
91.03963	1.3
96.04517	3.6
97.02877	8.7
99.04467	2.6
105.18900	1.1
106.02913	93.5
107.03231	1.8
109.02875	5.7
111.84844	1.3
117.92477	1.4
124.03948	90.3
125.04261	2.0
127.03915	10.9
145.04974	2.1
163.06047	2.2
166.04994	2.3
190.01744	1.2
196.06067	5.5
208.06061	3.6
250.07132	9.3
268.08145	100.0
269.08334	2.3
286.09216	2.5
356.16022	1.6
412.12143	1.4
430.13470	68.1
431.13666	4.2
448.14304	3.7
592.18945	7.3
610.19922	10.8
768.04230	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.275
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	1.1
70.06570	1.1
70.15411	0.6
70.15755	2.3
91.05495	1.8
95.04938	0.8
98.00127	0.7
98.06069	1.8
103.05470	11.0
105.03370	1.3
112.07587	2.4
113.08385	1.5
115.05459	2.3
117.07010	2.7
121.17477	0.7
122.06011	1.3
129.06995	1.4
131.04922	42.9
132.05220	1.1
136.07578	8.3
139.05441	0.9
143.04939	0.7
145.06471	3.4
149.43867	0.8
155.04945	1.8
155.06059	1.4
157.06493	1.5
159.04358	0.9
162.05511	3.9
165.01860	1.8
167.04948	1.0
171.04402	1.1
173.05983	5.0
175.03918	1.4
176.07106	1.1
178.87836	0.8
180.06529	1.3
183.02910	1.1
183.04434	3.9
185.05962	1.7
189.01791	2.8
190.04926	1.9
195.04457	2.0
197.05943	1.0
201.05484	1.8
203.03360	11.7
204.02927	1.4
204.06538	8.9
207.02953	1.6
213.05496	2.0
214.05009	1.4
215.03406	1.2
222.07643	2.3
223.03903	3.1
225.05464	1.1
232.06042	100.0
233.06319	2.5
241.04965	12.1
250.07077	9.4
251.03412	2.8
254.43956	0.7
259.05927	1.3
269.04431	3.3
269.08008	0.8
271.06088	0.7
281.09546	1.5
283.05923	2.8
293.08112	2.1
294.11337	1.3
301.07083	10.1
307.09644	21.0
309.09283	1.8
312.06619	0.8
327.10217	6.1
336.12280	96.7
337.12805	3.5
341.11749	1.6
345.11243	1.8
355.09457	2.3
368.14932	10.0
373.10651	2.1
387.12119	7.0
405.13287	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	772.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05501	0.6
57.03428	2.2
61.02925	1.5
65.80910	0.1
67.05500	0.1
69.03421	1.8
69.07901	0.9
71.01353	0.2
71.04988	10.4
73.02906	0.7
75.04469	0.7
77.03857	0.6
81.02958	0.2
81.03412	3.7
81.03886	0.2
83.04975	3.0
85.02898	17.2
87.04472	0.4
91.03944	0.6
91.05494	0.3
94.29805	0.1
95.04964	0.9
95.08596	0.1
97.02888	4.1
97.03487	0.2
98.22706	0.2
99.04442	0.7
100.07618	0.5
101.06021	0.1
102.04675	0.2
103.03967	0.5
103.05461	17.2
104.05772	0.3
105.04525	0.3
109.02864	2.1
111.04444	1.9
116.05319	0.1
119.04918	0.2
123.04423	0.2
123.08072	0.3
127.03915	2.0
129.05470	4.1
131.04915	100.0
132.05232	1.8
137.05978	1.0
145.04959	1.2
147.04535	0.2
147.06512	2.6
149.05966	12.8
150.06342	0.2
151.03888	0.2
151.07544	0.3
153.05438	0.1
157.06467	0.1
160.07414	0.1
161.05951	0.3
163.05988	0.3
165.05434	0.8
165.07562	0.1
179.07005	0.7
191.06999	0.9
195.06607	0.1
199.07625	0.2
203.06984	0.5
207.06404	0.1
217.08598	0.3
219.06351	0.1
221.08031	0.9
227.06963	0.1
233.08069	1.5
237.07558	0.4
245.08018	1.5
251.09143	0.2
255.08612	0.7
257.07990	1.2
259.09799	0.1
263.06580	0.2
263.09106	1.7
265.10587	0.2
271.05978	1.8
273.09677	0.2
275.09113	4.5
277.10699	0.7
281.10120	0.4
285.11160	0.2
291.10739	0.2
293.10159	23.6
294.10532	0.8
299.11179	0.3
309.11734	0.4
326.14462	0.2
385.12772	0.2
393.13263	0.2
403.13678	0.4
411.14304	1.0
421.14746	0.2
429.15585	0.8
439.15857	0.5
447.16489	0.2
488.72269	0.2
547.12720	0.1
772.32373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
55.05500	1.0
57.03428	2.7
61.02915	1.5
67.05499	1.5
69.03429	2.9
69.26276	2.4
70.06577	1.7
71.04630	0.9
71.04992	11.6
72.08147	2.3
73.02894	1.2
73.22331	0.5
74.30161	0.5
75.04454	0.6
77.03891	1.1
81.03416	6.0
81.07023	0.8
83.04969	2.5
84.08131	0.9
85.02409	1.0
85.02901	17.3
87.00826	0.6
87.04515	0.6
89.03893	1.0
91.05476	4.3
95.04942	1.7
95.08606	1.4
97.02882	4.3
99.04435	1.0
100.07612	6.6
103.05463	19.9
105.01834	0.8
105.03378	1.0
105.04514	0.7
107.04903	1.2
109.02847	3.1
110.09658	1.2
111.04443	1.3
119.04931	1.9
122.03689	0.7
123.08067	3.8
127.03898	3.5
129.05492	3.8
131.04919	100.0
132.05263	3.8
133.02847	10.4
135.04443	0.6
137.06006	2.8
145.05016	1.2
147.04408	0.8
147.06516	1.8
149.05980	13.9
150.06680	1.1
151.03937	0.8
165.05449	2.5
169.01329	7.9
175.03914	3.2
177.05539	0.9
179.07036	0.8
187.14391	1.3
189.05513	0.6
191.07036	0.9
194.15433	1.8
201.05511	2.7
203.07159	0.7
215.06973	0.6
221.08046	0.9
233.08105	1.6
237.07640	0.7
245.08154	1.1
249.05385	0.7
255.08682	0.9
257.08044	0.9
263.09134	1.9
271.06003	21.6
272.06302	0.8
275.09119	4.5
277.10791	0.8
287.05487	22.2
293.10205	22.8
294.10641	1.2
297.07584	1.9
325.10739	8.7
326.24268	0.8
356.11871	0.6
411.13812	0.9
422.55783	0.5
447.09106	1.7
448.09836	0.6
469.15100	1.4
470.15317	0.6
502.27521	0.8
772.33453	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	772.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
55.05503	0.6
57.03435	2.3
58.70127	0.2
59.05003	0.4
59.30070	0.2
61.02927	1.3
65.41227	0.2
69.03426	2.6
71.01336	0.3
71.04991	13.8
73.02913	0.8
75.04480	0.8
75.14632	0.2
77.03930	0.5
78.51001	0.2
79.05495	0.2
81.03419	1.3
83.04983	3.1
85.02901	20.2
86.03217	0.2
87.04453	0.6
91.03949	0.7
95.04967	0.7
95.21458	0.2
97.02892	6.5
99.04449	0.9
103.05461	16.4
104.05758	0.3
109.02888	0.4
110.06010	0.3
111.04451	1.6
127.03905	1.6
129.05482	5.6
131.04921	100.0
132.05235	2.2
137.05956	0.4
145.04941	1.2
147.06523	3.0
149.05980	6.3
151.07602	0.3
161.05945	0.3
163.06006	0.3
165.05414	0.4
171.06470	0.2
173.54272	0.2
177.05420	0.4
179.07040	0.5
199.07730	0.2
210.15652	0.2
221.08182	0.3
233.08136	0.4
237.07562	0.4
238.56773	0.2
245.07964	0.4
247.09703	0.3
255.08708	0.6
263.09058	0.3
271.05966	0.2
273.09564	0.3
275.09076	1.7
277.10852	0.5
293.10165	30.8
294.10544	1.3
326.13690	0.2
330.04483	0.2
361.66882	0.2
403.14044	0.2
411.14139	0.3
429.15479	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	772.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.9
56.04988	0.3
57.03416	0.4
58.06555	0.7
58.32431	0.3
65.00620	0.4
67.05504	3.1
69.65782	1.0
70.06593	2.3
71.04955	0.7
71.78783	0.3
72.04468	1.3
72.08155	4.3
79.05444	0.8
81.03413	4.8
81.07031	0.7
81.29569	0.3
84.08126	1.8
85.02867	0.6
91.05453	0.5
93.07047	1.8
95.04904	1.1
95.08598	6.5
98.09663	0.5
100.07611	16.1
103.05389	0.8
105.03354	0.9
105.07009	0.6
108.08065	0.6
110.09675	2.6
122.09584	0.3
123.00789	2.1
123.08058	12.3
124.11211	1.5
126.09115	0.8
127.12302	0.5
128.10678	0.5
129.10205	0.3
131.04921	0.4
151.03859	1.0
152.10612	1.0
169.01273	0.9
174.12621	0.4
176.10603	0.3
176.14317	1.1
187.14374	3.0
192.13840	0.4
194.15332	0.7
195.03021	0.3
204.17064	5.0
222.14961	0.6
225.05403	0.8
253.04968	2.0
256.20184	1.0
270.05142	0.9
271.05988	100.0
272.06314	2.6
285.07349	0.7
308.23325	0.9
310.07758	0.5
325.02301	0.4
326.24353	0.6
433.12747	0.4
434.13126	0.7
447.09210	5.7
448.09427	0.5
484.26425	0.5
502.27573	1.3
569.16638	3.0
640.24048	0.8
754.31891	2.2
755.31372	0.5
772.32898	15.5
772.47052	0.8
773.33319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05502	0.5
56.63806	0.2
57.03429	1.5
61.02926	1.0
69.03428	3.2
69.84526	0.7
71.01344	0.6
71.04634	0.3
71.04990	3.7
73.02914	7.1
75.04475	0.4
79.05492	0.3
81.03400	0.7
83.04974	2.8
85.02902	7.9
87.04453	0.3
89.03893	2.3
91.05447	0.3
97.02886	5.1
99.04447	0.6
103.03926	0.2
107.04945	0.8
109.02917	0.3
111.04443	1.7
115.03932	2.2
117.03373	3.1
127.03899	0.6
129.05478	2.4
133.04947	0.8
135.04404	7.9
136.04735	0.3
136.05699	0.3
137.05942	0.4
139.03821	0.3
145.01678	0.4
145.02835	7.3
146.03090	0.5
147.06525	1.3
147.81732	0.2
151.03889	0.2
163.03888	100.0
164.04218	2.2
181.04962	1.9
188.78879	0.2
225.07605	0.7
233.08041	0.2
243.08611	0.3
268.41861	0.2
279.10739	0.3
281.10208	0.2
281.94778	0.2
295.08044	0.5
305.48471	0.3
307.08139	0.4
309.09586	0.8
325.09146	23.2
326.09518	1.0
568.76501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
55.05507	0.3
57.03442	1.6
58.22505	0.2
61.02914	0.6
63.34039	0.2
65.03965	0.3
65.87207	0.2
69.03429	3.1
69.75692	0.6
69.76081	0.4
70.86303	0.2
71.01350	0.6
71.04990	2.6
73.02915	6.5
75.04490	0.2
79.05474	0.3
81.03412	2.1
83.04532	0.3
83.04983	2.3
85.02906	6.1
87.04499	0.3
89.03908	2.8
92.65179	0.2
95.04963	0.4
97.02894	2.7
99.04435	0.6
107.04945	1.3
108.02130	0.3
109.02869	1.2
111.04440	1.5
115.03935	2.0
117.03371	4.4
127.03917	0.9
129.05476	1.5
130.27431	0.2
133.04929	0.9
135.04416	9.7
137.05940	0.5
139.03891	0.5
141.05466	0.3
145.02841	8.8
147.04427	0.2
147.06537	1.0
149.05960	0.4
151.03903	6.5
151.05005	0.6
163.03896	100.0
164.04211	2.1
165.05522	0.2
168.00552	0.8
169.04990	0.4
181.04962	5.8
181.06583	0.3
183.02888	1.4
186.01547	0.3
225.07582	0.6
243.08577	0.3
245.07941	0.3
263.09131	0.6
273.07465	0.3
286.04703	4.9
286.07819	0.3
289.07013	0.9
295.08124	1.3
301.07059	23.3
307.08173	3.0
309.09720	0.9
325.09171	10.4
326.09399	0.2
329.17725	0.3
347.18246	0.2
421.11060	0.3
441.13971	0.2
461.14673	0.3
463.12213	1.9
504.57898	0.2
647.13361	0.3
746.88531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03433	1.2
61.02910	0.6
66.27634	0.5
67.05507	0.9
69.03431	2.7
71.04983	1.2
71.42036	0.5
73.02903	1.9
73.07249	0.5
79.05494	1.1
81.03388	1.6
81.07051	1.7
83.04987	0.7
83.99270	0.4
85.02907	5.9
85.06561	0.6
86.40178	0.4
87.00814	1.9
89.03897	0.8
91.05484	1.4
93.07056	2.2
94.99747	0.4
95.04974	0.8
95.08608	1.4
97.02895	3.7
97.06528	0.4
99.04422	0.7
99.69830	0.4
103.05413	0.5
105.01857	1.6
105.07021	4.0
107.04926	1.0
107.08585	2.1
109.02887	1.6
109.06517	1.7
109.10162	1.0
111.04455	0.5
111.08084	0.5
115.05436	0.5
117.03361	1.2
117.07005	1.7
119.08553	1.7
121.10167	0.4
127.03911	2.6
127.07544	1.4
128.06165	0.5
129.06969	0.7
131.08530	0.9
133.10139	0.6
135.04407	2.4
135.08032	1.0
137.05978	1.4
142.07806	0.5
143.08577	1.1
145.02815	2.9
145.06494	0.6
149.02293	0.7
149.05971	1.2
151.03847	2.8
155.08586	0.5
157.06490	0.7
157.10167	1.0
159.08008	0.7
161.05991	1.8
163.03897	38.0
163.07532	2.6
164.04263	0.5
165.05469	7.8
165.06813	0.9
167.08487	0.5
171.07973	0.7
173.06058	0.7
175.07509	2.3
177.05464	14.0
177.09016	2.3
178.05766	0.9
179.07048	0.5
181.03430	0.6
181.04970	4.5
181.10153	0.6
183.08009	0.6
185.09637	1.7
187.07565	1.5
189.05406	2.2
189.09059	2.3
191.07014	9.2
193.08574	1.1
195.06465	0.8
195.08063	0.7
201.09097	4.8
203.07042	1.7
203.10634	6.5
209.09627	1.0
209.13158	0.7
213.09155	1.4
217.08577	7.0
217.10469	0.6
219.10168	1.6
223.11188	0.8
225.09111	0.5
225.69403	0.5
227.10728	1.5
227.14197	0.6
229.08736	0.8
235.09454	0.8
237.12729	1.2
241.12228	1.2
243.13824	0.7
247.11278	0.7
247.14980	0.5
248.11909	1.1
251.10667	1.0
252.11555	1.1
253.12202	1.5
255.13736	3.2
260.11911	1.2
263.14288	1.1
264.11441	0.8
265.12100	0.7
265.15994	0.6
267.13791	0.8
269.15286	0.7
275.14279	1.6
278.12906	0.9
281.12012	0.5
281.15350	1.2
283.13345	1.9
283.16968	2.2
293.15445	2.9
296.14014	0.8
301.07071	1.8
301.14340	16.4
301.17776	0.8
311.16415	6.9
325.09122	6.1
329.17447	48.1
330.17746	2.1
335.76511	0.5
347.18512	100.0
348.18903	4.1
383.72330	0.5
602.93243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03433	1.2
61.02910	0.6
66.27634	0.5
67.05507	0.9
69.03431	2.7
71.04983	1.2
71.42036	0.5
73.02903	1.9
73.07249	0.5
79.05494	1.1
81.03388	1.6
81.07051	1.7
83.04987	0.7
83.99270	0.4
85.02907	5.9
85.06561	0.6
86.40178	0.4
87.00814	1.9
89.03897	0.8
91.05484	1.4
93.07056	2.2
94.99747	0.4
95.04974	0.8
95.08608	1.4
97.02895	3.7
97.06528	0.4
99.04422	0.7
99.69830	0.4
103.05413	0.5
105.01857	1.6
105.07021	4.0
107.04926	1.0
107.08585	2.1
109.02887	1.6
109.06517	1.7
109.10162	1.0
111.04455	0.5
111.08084	0.5
115.05436	0.5
117.03361	1.2
117.07005	1.7
119.08553	1.7
121.10167	0.4
127.03911	2.6
127.07544	1.4
128.06165	0.5
129.06969	0.7
131.08530	0.9
133.10139	0.6
135.04407	2.4
135.08032	1.0
137.05978	1.4
142.07806	0.5
143.08577	1.1
145.02815	2.9
145.06494	0.6
149.02293	0.7
149.05971	1.2
151.03847	2.8
155.08586	0.5
157.06490	0.7
157.10167	1.0
159.08008	0.7
161.05991	1.8
163.03897	38.0
163.07532	2.6
164.04263	0.5
165.05469	7.8
165.06813	0.9
167.08487	0.5
171.07973	0.7
173.06058	0.7
175.07509	2.3
177.05464	14.0
177.09016	2.3
178.05766	0.9
179.07048	0.5
181.03430	0.6
181.04970	4.5
181.10153	0.6
183.08009	0.6
185.09637	1.7
187.07565	1.5
189.05406	2.2
189.09059	2.3
191.07014	9.2
193.08574	1.1
195.06465	0.8
195.08063	0.7
201.09097	4.8
203.07042	1.7
203.10634	6.5
209.09627	1.0
209.13158	0.7
213.09155	1.4
217.08577	7.0
217.10469	0.6
219.10168	1.6
223.11188	0.8
225.09111	0.5
225.69403	0.5
227.10728	1.5
227.14197	0.6
229.08736	0.8
235.09454	0.8
237.12729	1.2
241.12228	1.2
243.13824	0.7
247.11278	0.7
247.14980	0.5
248.11909	1.1
251.10667	1.0
252.11555	1.1
253.12202	1.5
255.13736	3.2
260.11911	1.2
263.14288	1.1
264.11441	0.8
265.12100	0.7
265.15994	0.6
267.13791	0.8
269.15286	0.7
275.14279	1.6
278.12906	0.9
281.12012	0.5
281.15350	1.2
283.13345	1.9
283.16968	2.2
293.15445	2.9
296.14014	0.8
301.07071	1.8
301.14340	16.4
301.17776	0.8
311.16415	6.9
325.09122	6.1
329.17447	48.1
330.17746	2.1
335.76511	0.5
347.18512	100.0
348.18903	4.1
383.72330	0.5
602.93243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05747	1.0
55.05500	2.4
56.05033	2.2
57.03440	4.8
58.06587	2.4
65.03931	1.4
67.05501	10.0
68.05035	1.4
69.18903	1.1
69.77727	3.0
70.03885	1.1
70.06588	20.3
71.05001	2.5
72.04510	8.0
72.08150	24.3
72.08524	1.8
79.05497	2.1
80.05019	1.1
81.03416	23.7
81.07072	1.8
84.08140	8.6
85.02919	1.9
86.06089	1.7
91.05444	2.1
93.07045	5.6
94.04174	2.1
94.37137	1.1
95.04979	3.2
95.08607	23.6
96.08144	2.8
97.06510	6.2
97.08932	1.7
98.09692	9.2
100.07613	100.0
103.05507	1.7
105.07032	2.7
107.08606	1.6
108.08120	6.4
110.09669	20.0
110.10351	1.7
114.09136	1.1
117.10252	1.1
120.08102	2.4
122.09702	2.5
123.08066	57.0
123.10452	1.4
124.08390	1.5
124.11209	6.0
126.09175	2.9
127.12337	1.7
128.10742	1.8
131.04912	5.8
136.07550	1.1
151.03951	3.9
152.10703	1.8
169.01308	19.1
171.11255	1.9
174.12851	2.3
176.14333	7.1
178.15947	1.2
187.02446	3.0
187.14442	13.3
194.15398	27.9
196.37260	1.1
201.30844	1.3
204.17084	10.6
210.71310	1.0
222.15004	4.2
230.18686	2.0
240.16089	1.3
256.20218	1.8
271.05743	1.1
273.07538	25.9
273.10245	1.9
285.07648	3.2
286.08038	2.2
301.07156	2.0
308.23349	3.0
326.24371	31.8
363.07657	1.4
481.86044	1.2
502.27625	3.9
642.25580	4.9
756.32990	1.5
757.32416	1.7
774.34357	63.8
775.34998	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	774.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05505	4.3
56.05022	0.9
57.03424	1.6
58.06594	2.0
65.03924	1.5
66.04714	0.8
67.05500	19.5
68.05021	0.9
68.99767	0.5
69.90375	0.5
69.90737	1.2
70.06235	0.7
70.06586	7.9
71.01344	2.0
71.04990	2.7
72.04508	3.5
72.08151	13.3
73.02885	0.4
79.05478	2.8
80.05023	0.7
81.03411	40.7
81.07057	2.7
82.03710	0.4
82.06563	0.7
83.04961	0.4
84.08136	4.9
85.02900	2.0
91.05487	3.4
93.07040	7.4
94.04176	4.1
94.06516	0.4
95.01318	0.6
95.04964	4.5
95.08598	41.6
96.08122	0.9
97.02894	0.7
98.09680	1.9
100.07610	46.6
101.07945	0.6
103.05460	2.9
105.03392	0.4
105.04526	0.7
105.07014	2.8
107.04903	0.4
107.08530	0.6
108.08127	1.0
109.02859	0.5
109.18790	0.4
110.00288	0.3
110.09665	7.1
110.66619	0.4
113.02348	1.7
113.03072	0.4
114.09151	0.4
114.88731	0.3
115.03055	0.4
117.10300	0.5
120.08109	0.6
122.09663	0.6
123.00802	0.7
123.08057	100.0
124.07619	0.7
124.08428	1.2
124.11215	6.9
126.09168	1.1
127.12325	1.1
128.10704	0.8
129.10258	0.3
131.03398	0.8
131.04915	8.5
133.02873	1.3
134.03188	0.5
134.09631	0.4
136.07549	0.5
137.06021	0.5
138.09073	0.4
140.10718	0.4
141.09103	0.9
147.08069	0.8
148.11246	0.4
149.05984	0.4
150.09085	0.4
150.41583	0.4
151.03906	1.5
151.09827	0.5
152.10681	2.5
153.10173	0.4
165.09103	0.4
168.02974	0.4
169.01302	24.6
170.01656	0.6
171.11304	1.5
173.05997	1.1
174.12735	0.9
176.14333	3.7
178.15941	0.5
181.01358	0.6
185.00827	0.5
187.02380	2.9
187.14400	8.3
194.15498	1.6
195.02922	0.8
203.16315	0.4
204.17050	13.3
211.02191	0.6
222.14964	1.8
240.15854	1.0
256.20181	4.4
271.06021	1.4
272.06415	0.6
273.07550	39.8
274.07925	1.5
285.07294	0.4
287.05515	2.1
288.05911	1.5
299.08896	0.8
300.09381	0.7
301.07098	1.3
308.23267	3.1
315.08463	1.0
325.10724	0.8
326.10733	0.5
326.24515	0.9
326.40604	0.5
398.18082	0.5
449.11835	0.4
484.26880	0.9
502.27576	3.7
568.45428	0.4
642.25391	2.2
738.32172	0.9
756.33130	5.0
757.32202	0.9
774.34283	39.0
775.34387	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	100.0
60.05333	0.9
67.05521	0.7
69.03416	1.2
70.06607	1.5
71.04980	1.6
73.02917	7.6
73.06548	8.2
78.99519	2.7
85.02901	1.3
87.04465	6.2
89.06024	16.6
89.06534	1.3
97.06571	0.8
100.41177	0.7
101.12154	0.7
103.07578	77.3
107.04971	5.1
109.02905	0.7
109.10150	0.7
112.99319	1.4
112.99987	5.4
113.06011	2.2
115.07619	2.2
117.09129	7.2
121.02876	1.4
127.01565	50.4
133.08623	8.8
137.05957	9.7
139.00476	0.6
139.01537	17.0
147.04401	1.0
147.10156	28.0
153.03110	58.5
159.10110	1.6
160.30695	0.8
161.11757	1.1
167.07095	1.0
177.11267	2.5
183.04222	5.9
191.12859	1.9
197.05736	27.2
201.87727	0.8
221.13681	0.8
227.06810	3.2
241.08342	6.7
271.09421	3.7
285.11075	2.7
303.11884	1.0
315.12070	1.6
329.13748	1.3
347.14771	0.8
359.14551	1.1
371.18732	1.7
435.20172	1.0
757.39124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69800	0.3
63.41740	0.3
69.67017	0.3
71.14105	0.3
73.02924	0.4
77.03911	1.4
79.05482	6.1
87.04457	100.0
88.04788	1.0
89.06026	2.0
91.05489	1.9
91.05972	0.3
93.07056	0.4
95.04957	3.2
103.05458	5.1
105.04500	1.2
105.07017	84.3
106.07324	2.0
107.95100	0.4
113.00016	0.7
113.15301	0.3
119.08537	0.4
121.06469	3.0
124.99955	0.5
129.06956	0.6
131.07030	1.6
131.08530	2.3
133.08595	1.4
139.01529	2.3
140.24245	0.3
147.08060	0.7
160.22383	0.3
173.09659	0.3
175.09705	0.4
177.11234	0.4
202.08797	0.4
209.13225	0.4
219.12239	2.9
225.12689	2.4
251.14236	3.5
263.14804	0.6
269.15292	1.4
313.17828	0.7
327.17319	0.6
329.18924	2.3
373.21545	1.7
445.24106	0.7
477.27554	0.4
549.30011	1.1
774.44238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69800	0.3
63.41740	0.3
69.67017	0.3
71.14105	0.3
73.02924	0.4
77.03911	1.4
79.05482	6.1
87.04457	100.0
88.04788	1.0
89.06026	2.0
91.05489	1.9
91.05972	0.3
93.07056	0.4
95.04957	3.2
103.05458	5.1
105.04500	1.2
105.07017	84.3
106.07324	2.0
107.95100	0.4
113.00016	0.7
113.15301	0.3
119.08537	0.4
121.06469	3.0
124.99955	0.5
129.06956	0.6
131.07030	1.6
131.08530	2.3
133.08595	1.4
139.01529	2.3
140.24245	0.3
147.08060	0.7
160.22383	0.3
173.09659	0.3
175.09705	0.4
177.11234	0.4
202.08797	0.4
209.13225	0.4
219.12239	2.9
225.12689	2.4
251.14236	3.5
263.14804	0.6
269.15292	1.4
313.17828	0.7
327.17319	0.6
329.18924	2.3
373.21545	1.7
445.24106	0.7
477.27554	0.4
549.30011	1.1
774.44238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
56.14325	0.4
57.03443	1.3
59.04998	55.2
61.02932	0.4
65.03937	0.5
67.05499	7.1
69.03394	0.6
69.07059	1.6
69.80360	1.3
71.04988	0.6
73.02913	1.2
73.06547	2.6
77.03927	0.9
79.05486	8.7
81.03437	0.7
81.07043	6.1
83.04988	0.5
83.08621	0.7
85.06531	0.7
87.04453	3.2
89.06026	8.6
89.06548	0.8
91.05475	15.1
93.07041	6.2
95.04970	5.5
95.08605	3.0
97.02950	0.5
103.05460	6.9
103.07573	48.5
105.04584	2.2
105.07021	100.0
106.07346	2.2
107.04950	2.2
107.08578	3.7
109.10136	4.6
113.05994	0.8
115.05486	0.5
116.06244	0.5
117.06973	2.5
117.09114	2.2
119.04941	1.4
119.08559	6.0
119.41644	0.4
121.06499	13.8
121.10146	1.3
123.11671	0.9
127.01561	1.5
128.06190	1.1
129.06985	3.6
131.07057	0.9
131.08556	7.7
132.05707	1.1
132.08878	0.5
133.08615	6.0
133.10112	9.7
135.08028	0.9
135.11703	0.6
138.29404	0.4
139.01543	1.0
143.08501	0.8
145.06429	1.3
145.10062	0.7
147.08047	34.7
147.10127	20.3
147.11310	0.7
148.08348	0.6
149.09599	7.9
149.13263	0.4
151.11198	3.6
153.03084	1.4
155.05981	0.4
157.09969	0.4
159.11681	0.8
161.09630	2.9
161.11728	0.5
162.77370	0.4
163.07478	0.5
163.11142	0.4
165.09058	1.1
166.07707	0.8
167.08627	0.4
173.09528	0.8
175.09641	0.8
177.11226	2.0
178.07747	0.4
179.08600	0.4
179.10632	1.1
181.10147	1.3
184.07372	0.8
187.05904	0.4
191.10680	0.8
191.12692	1.0
191.97681	0.4
193.12175	0.6
197.11708	0.7
208.08771	0.5
209.11646	0.5
215.12775	1.8
222.10439	0.4
223.10997	2.0
225.12717	18.9
226.13022	0.7
249.12743	3.0
251.14232	1.8
253.14230	1.9
261.22043	1.5
267.13705	0.8
269.15353	2.8
271.15231	1.0
299.14847	1.0
311.16217	1.0
313.17862	1.3
317.15930	9.8
317.24673	0.4
327.17245	1.0
335.25754	10.0
336.26184	0.6
373.21524	4.4
421.19742	0.5
432.37854	0.5
531.36426	0.9
577.37207	2.9
653.38086	0.5
774.47961	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	774.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05508	0.4
57.03433	0.3
59.04995	55.8
61.80711	0.2
67.05495	1.7
69.07042	0.4
71.04985	0.5
73.02915	1.0
73.06549	2.4
77.03924	0.8
77.79172	0.3
79.05486	7.1
81.03412	2.6
81.07050	1.4
83.08597	0.3
85.02908	0.3
87.04457	3.6
89.06023	8.0
91.05469	11.2
93.07032	2.8
95.04960	4.7
95.08625	0.9
103.05460	7.2
103.07568	47.2
104.07906	0.3
105.04577	1.6
105.07017	100.0
106.07348	2.1
107.04952	2.3
107.08595	0.6
109.10146	0.6
111.08080	0.3
113.05976	0.2
115.05444	0.5
115.07579	0.3
115.30866	0.2
116.06234	0.4
117.06991	1.8
117.09127	2.1
119.04930	1.6
119.08567	5.4
120.05643	0.3
121.06493	15.8
121.10143	0.5
122.06821	0.3
125.00040	0.3
127.01550	1.2
128.06238	1.1
129.06990	3.2
131.04947	0.2
131.07013	1.0
131.08546	8.4
132.05705	1.0
133.06468	0.7
133.08586	5.7
133.10100	1.9
135.08069	0.8
135.11642	0.4
139.01532	0.6
145.06496	1.1
145.10144	0.3
147.08041	36.3
147.10112	19.2
148.08362	0.7
149.09595	6.5
150.09946	0.3
153.03091	0.8
155.06046	0.5
157.10066	0.3
161.11816	0.7
163.11174	0.6
165.06964	0.5
165.09120	1.2
166.07796	0.5
167.08806	0.3
173.09616	0.9
175.09653	0.7
175.11134	0.6
177.11217	1.9
179.08597	0.6
181.08730	0.3
181.10034	1.4
184.07365	0.9
191.10730	0.6
191.12779	1.6
193.12202	1.7
207.11731	0.3
208.08789	0.3
209.13571	0.5
219.12027	0.3
221.13745	0.6
223.11140	1.6
225.12715	20.4
226.13115	0.7
227.12755	0.3
235.13242	0.9
235.15294	0.3
249.12758	2.2
251.14267	2.6
253.14281	0.5
261.22211	0.3
267.13553	0.6
267.15945	0.7
269.15256	2.6
271.15189	0.3
285.16772	0.7
296.74759	0.3
301.14322	0.6
309.16971	0.3
311.16370	0.7
313.17789	1.3
317.15875	0.3
319.15326	0.9
327.17325	1.0
329.18863	0.6
335.25793	1.1
373.21576	5.6
374.21683	0.6
417.24060	0.3
474.39453	0.3
531.19196	0.3
549.32617	0.3
653.38574	0.5
774.47833	5.6
775.47778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.1
57.03440	5.9
65.22417	2.3
67.05501	37.8
68.82813	2.5
69.03447	2.8
69.07056	9.6
69.08527	16.7
69.76014	2.4
71.04993	15.5
73.02924	3.8
73.06542	3.9
74.77093	2.2
79.05486	28.5
81.03436	5.6
81.07046	42.2
83.08629	6.2
83.17399	2.3
84.24345	2.2
84.90940	2.4
85.02917	2.8
85.06544	6.0
87.04462	9.1
89.06023	23.7
91.05474	33.7
93.07037	28.8
95.04947	13.6
95.08608	13.9
97.06520	2.9
98.23539	5.5
103.05470	5.5
105.04543	4.8
105.07020	100.0
106.07352	7.1
107.08591	16.2
109.10160	7.6
117.07016	10.2
117.09182	2.7
119.08566	22.2
121.06472	5.9
121.10130	12.5
123.11710	5.1
124.99998	3.4
127.01583	2.9
129.07021	4.8
131.08546	14.3
133.08580	14.0
133.10094	20.4
134.47325	2.4
135.11667	8.1
142.07784	2.3
143.08557	4.8
145.10117	10.0
147.08035	8.5
147.11684	8.5
149.09554	3.9
149.13226	3.7
151.11220	3.4
155.08585	3.1
156.92068	3.2
157.10144	5.3
159.11743	10.1
161.13199	3.4
167.19225	2.3
169.10080	3.5
171.11705	4.0
173.13252	4.4
177.11247	6.1
183.11705	3.4
184.07358	7.3
185.13293	3.0
197.44864	2.4
209.13252	2.3
225.12737	8.0
234.48003	2.7
241.19534	4.3
257.17532	4.3
259.20578	8.1
261.22110	3.4
267.15933	6.9
299.14575	3.7
301.20126	9.0
315.23126	4.9
333.24271	11.4
335.25790	11.4
409.30807	3.2
437.71729	2.6
483.34561	3.4
501.35699	33.5
527.37396	24.5
528.36011	2.7
533.38080	3.2
545.38098	5.2
559.39575	10.0
725.42914	2.5
774.40948	8.7
785.88232	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	774.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05512	18.5
56.45935	1.5
57.03430	18.6
57.07076	2.1
65.03938	2.6
67.05502	57.0
69.03427	2.9
69.07059	14.4
69.10297	9.2
71.04989	2.5
73.02927	2.0
73.06576	2.5
79.04794	1.8
79.05490	49.5
81.03414	78.7
81.07053	54.7
83.04972	5.7
83.08618	18.4
85.02865	1.6
85.06538	2.8
87.04475	2.4
89.06010	9.5
91.05476	33.1
93.07040	44.6
94.07384	1.5
95.04964	33.3
95.08600	38.3
97.02916	3.1
97.06525	2.4
97.10173	5.3
98.22670	2.6
103.05481	4.2
105.04519	1.9
105.07024	94.5
106.07370	9.8
107.04954	7.5
107.08588	24.7
107.09251	2.0
109.06533	4.8
109.10139	18.9
111.04336	2.3
111.08054	7.9
117.07018	7.6
119.08568	22.1
121.06538	3.7
121.10139	18.9
123.08083	3.4
123.11725	4.8
125.09645	4.2
129.06978	9.6
131.08559	19.1
133.06445	3.3
133.08601	4.6
133.10100	15.7
135.11664	10.5
137.13257	2.1
141.06950	1.5
142.07822	3.9
143.08572	2.8
144.07826	1.9
145.10094	9.6
147.08051	7.9
147.11688	12.1
149.09660	5.6
149.13278	5.9
155.08589	1.9
157.10107	9.9
159.11690	5.8
161.13275	3.2
163.11172	3.1
163.14859	3.0
165.12732	2.0
169.10132	2.2
171.11691	2.9
173.13275	4.9
175.11235	8.0
175.14876	2.5
181.10236	1.6
187.14850	2.9
189.11266	3.3
193.12259	16.7
210.11597	1.6
227.12697	9.0
243.21078	5.7
249.14803	2.6
261.22147	16.2
267.15900	100.0
268.16351	3.0
279.23007	1.6
301.14365	1.7
301.25296	6.6
309.16968	2.3
317.24619	3.5
335.25784	71.5
336.25998	3.5
380.76385	1.7
389.00189	1.6
421.26135	1.7
435.27594	1.5
435.32733	5.6
453.33569	5.9
466.79916	1.3
471.34479	3.6
520.73456	1.5
527.37280	52.9
528.37451	4.3
545.38348	38.6
546.38605	2.8
569.38574	3.3
609.84741	1.5
702.38995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	21.3
57.03425	19.2
57.07060	3.2
59.05001	12.9
67.05159	5.5
67.05500	69.9
69.03431	5.2
69.07059	19.5
69.62483	5.8
69.62852	3.7
71.04985	4.2
79.05485	55.2
81.03410	91.1
81.03891	4.5
81.06572	3.3
81.07050	61.9
83.04983	5.2
83.08618	27.4
86.09705	3.0
87.04477	7.3
89.06034	3.6
91.05480	45.0
93.07028	45.7
95.04965	32.7
95.08595	48.0
97.02877	3.5
97.06549	6.1
97.10164	8.5
98.23581	2.9
100.61234	2.5
103.05457	4.0
103.07551	8.8
105.07021	77.9
107.04945	9.1
107.08589	29.7
109.06512	5.2
109.10139	22.5
111.04385	3.2
111.08081	8.6
117.06994	10.1
119.08569	30.8
121.06494	9.8
121.10126	23.5
123.08044	5.1
123.11685	8.2
125.09615	2.7
128.06274	2.4
129.07002	12.8
131.08578	22.3
133.06519	4.6
133.08597	4.0
133.10118	19.1
135.11684	12.0
137.09563	4.0
144.82634	2.4
145.10150	12.5
147.08043	9.1
147.11687	14.2
149.09618	7.5
149.13243	9.6
157.10143	12.5
159.11710	6.7
161.13182	3.3
163.11072	3.6
163.14815	5.6
165.12849	3.7
171.11725	3.4
173.13239	4.0
175.11165	10.8
175.14905	4.2
184.07323	9.8
187.14732	4.3
189.11189	2.5
193.12209	28.1
194.39282	2.3
225.12729	5.0
227.12839	6.1
235.79459	2.7
243.21017	5.2
261.22128	20.8
267.15866	100.0
268.16299	4.3
285.16824	3.9
301.25107	5.7
309.16953	5.1
335.25769	94.1
336.26157	5.4
435.32474	4.1
453.33737	4.2
453.72791	2.8
471.34399	4.6
527.37219	54.3
528.37329	5.1
545.38397	35.5
569.38208	3.0
715.96082	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	775.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34971	0.1
55.01868	0.4
57.03445	0.4
63.28033	0.1
65.03939	1.3
65.08167	0.1
67.05498	0.6
68.99784	0.2
69.03414	0.9
71.04977	0.2
71.22855	0.2
81.03413	2.7
84.02135	0.2
85.02883	1.0
91.05482	0.4
93.03399	0.9
95.04978	0.6
97.02888	0.9
99.04462	0.3
108.02107	1.1
109.02871	1.2
111.04424	1.0
112.01575	0.5
119.04952	0.4
121.02867	0.2
123.04405	0.2
125.05984	0.9
127.00242	0.2
127.03923	0.7
128.48972	0.1
130.89000	0.1
133.42990	0.1
136.01550	0.2
140.01025	0.6
141.05472	1.2
147.56490	0.2
151.03897	51.8
151.04982	4.2
152.04216	0.8
168.00526	4.9
169.04965	3.0
169.06287	0.3
183.02879	6.2
186.01584	2.2
240.65436	0.2
258.05258	1.2
268.03598	0.9
269.04288	0.4
285.03751	0.8
286.04681	19.8
287.05081	0.3
295.08081	3.0
296.08289	0.3
301.07031	100.0
302.07397	4.0
313.09079	2.5
613.15576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
56.62429	0.2
63.02375	0.2
65.03935	0.9
65.35339	0.2
67.05506	0.3
69.03426	1.2
69.27018	0.9
73.02914	0.2
78.96301	0.1
79.58353	0.1
79.69942	0.2
81.03412	1.8
84.71700	0.2
85.02902	1.5
86.82296	0.2
88.72617	0.1
91.05502	0.5
93.03413	0.3
95.04984	0.5
97.02887	0.7
99.04491	0.3
107.96320	0.2
108.02114	0.7
109.02905	0.9
111.04446	0.9
112.01583	0.2
119.04941	0.3
121.02882	0.3
123.04344	0.2
125.05991	0.6
127.03959	0.5
140.01045	0.6
141.05486	0.6
145.04973	0.3
151.03906	30.2
151.05009	3.2
152.04271	0.3
153.01804	0.3
168.00546	3.2
169.04979	2.2
175.23279	0.2
177.05466	0.2
183.02884	6.2
186.01582	2.6
258.05225	1.1
268.03735	0.7
285.03970	0.6
286.04697	19.0
287.05283	0.7
295.08081	1.7
296.02789	0.2
301.07043	100.0
302.07401	2.7
311.05344	0.4
311.25925	0.2
313.09229	0.9
343.08072	0.4
394.90283	0.2
463.12305	8.2
464.12491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39569	0.6
69.06802	5.4
75.04199	0.7
147.04457	1.8
161.85567	0.7
253.80185	0.6
254.82503	0.8
582.41760	0.8
686.25439	0.8
760.14734	0.8
775.22015	100.0
776.22278	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	775.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.05497	2.6
57.03429	1.8
61.02928	2.3
67.05495	0.7
69.03432	8.8
69.07065	0.8
69.40478	2.7
71.01342	0.8
73.02902	1.9
79.05479	0.5
81.03421	5.3
81.07084	0.7
83.08597	1.2
85.02412	0.7
85.02902	11.2
86.15079	0.5
87.00820	2.6
87.04434	1.1
91.05473	0.6
94.50939	0.5
95.04959	0.6
95.08614	2.3
97.02892	5.6
98.22641	0.6
99.04441	1.7
105.01869	2.0
109.02879	4.5
109.10125	0.9
111.08103	0.6
121.10185	0.8
127.03893	5.5
131.03279	0.4
137.05946	0.6
145.04967	2.3
151.03896	14.6
151.04984	1.1
152.04269	1.0
159.02870	1.7
163.03879	0.6
168.00574	1.4
169.05009	1.7
173.09543	0.7
177.05515	1.0
179.03389	2.7
179.07028	0.7
183.02922	1.7
185.09680	0.8
187.07596	1.6
189.09105	0.6
193.04985	3.7
193.08603	0.8
197.09637	1.2
199.07611	0.6
201.05348	0.7
201.08943	0.8
205.04970	5.3
205.08682	1.1
207.06540	2.0
213.09070	0.7
215.07031	2.1
217.08653	2.1
219.06544	1.2
219.10071	0.8
225.09157	2.0
227.10596	1.1
229.08621	0.7
230.09215	0.6
231.10175	1.4
233.08066	10.6
234.08588	0.8
235.09732	0.9
243.10161	1.6
244.10875	0.8
245.08054	3.0
245.11746	0.7
246.09048	0.7
247.09645	1.2
259.09726	2.6
261.11246	1.1
265.15924	0.6
269.11969	0.5
271.09784	1.1
273.11261	0.8
283.16949	0.6
286.04706	5.1
286.12006	0.8
287.05420	0.5
293.15311	0.9
296.88358	0.5
301.07053	26.9
301.14349	1.0
302.07477	2.0
311.16516	1.0
313.09177	0.9
329.17453	20.4
330.17822	1.0
347.18530	30.7
348.18890	1.4
365.19574	8.9
366.19901	0.7
509.23813	100.0
510.24170	8.0
527.24860	17.0
528.25458	0.9
588.58405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.05497	2.6
57.03429	1.8
61.02928	2.3
67.05495	0.7
69.03432	8.8
69.07065	0.8
69.40478	2.7
71.01342	0.8
73.02902	1.9
79.05479	0.5
81.03421	5.3
81.07084	0.7
83.08597	1.2
85.02412	0.7
85.02902	11.2
86.15079	0.5
87.00820	2.6
87.04434	1.1
91.05473	0.6
94.50939	0.5
95.04959	0.6
95.08614	2.3
97.02892	5.6
98.22641	0.6
99.04441	1.7
105.01869	2.0
109.02879	4.5
109.10125	0.9
111.08103	0.6
121.10185	0.8
127.03893	5.5
131.03279	0.4
137.05946	0.6
145.04967	2.3
151.03896	14.6
151.04984	1.1
152.04269	1.0
159.02870	1.7
163.03879	0.6
168.00574	1.4
169.05009	1.7
173.09543	0.7
177.05515	1.0
179.03389	2.7
179.07028	0.7
183.02922	1.7
185.09680	0.8
187.07596	1.6
189.09105	0.6
193.04985	3.7
193.08603	0.8
197.09637	1.2
199.07611	0.6
201.05348	0.7
201.08943	0.8
205.04970	5.3
205.08682	1.1
207.06540	2.0
213.09070	0.7
215.07031	2.1
217.08653	2.1
219.06544	1.2
219.10071	0.8
225.09157	2.0
227.10596	1.1
229.08621	0.7
230.09215	0.6
231.10175	1.4
233.08066	10.6
234.08588	0.8
235.09732	0.9
243.10161	1.6
244.10875	0.8
245.08054	3.0
245.11746	0.7
246.09048	0.7
247.09645	1.2
259.09726	2.6
261.11246	1.1
265.15924	0.6
269.11969	0.5
271.09784	1.1
273.11261	0.8
283.16949	0.6
286.04706	5.1
286.12006	0.8
287.05420	0.5
293.15311	0.9
296.88358	0.5
301.07053	26.9
301.14349	1.0
302.07477	2.0
311.16516	1.0
313.09177	0.9
329.17453	20.4
330.17822	1.0
347.18530	30.7
348.18890	1.4
365.19574	8.9
366.19901	0.7
509.23813	100.0
510.24170	8.0
527.24860	17.0
528.25458	0.9
588.58405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99794	3.3
69.30888	3.4
69.31285	1.6
81.18874	1.1
91.05450	1.5
92.99770	1.6
95.01344	1.0
95.04963	3.6
103.05457	45.4
104.01322	0.9
105.04537	2.0
105.07040	1.4
115.05476	1.6
131.04915	100.0
132.05261	2.0
141.06985	1.5
155.04922	2.4
166.99709	1.6
169.06514	2.0
177.86200	1.0
180.02965	1.6
183.04457	2.6
185.00815	2.6
187.02557	1.0
197.05934	1.7
199.03882	2.6
199.99788	1.6
202.01352	1.6
214.01440	2.3
215.07014	12.3
218.00821	4.7
226.01334	1.5
227.99261	4.0
230.00787	1.1
232.02385	6.8
238.01271	1.6
241.00044	1.2
241.04947	4.2
242.00803	6.2
244.02304	1.6
246.00290	6.4
248.02032	1.2
253.04961	1.2
254.00674	1.7
255.98764	3.8
256.02332	1.3
258.00220	1.0
259.06091	1.6
260.01831	4.9
266.00888	2.6
270.00406	3.8
271.01230	1.3
272.01865	3.0
273.99823	14.5
284.01865	1.7
288.01410	4.1
289.01840	1.4
292.00858	23.8
292.03864	1.8
294.00317	4.9
296.01779	2.3
297.99802	30.4
299.00385	1.4
304.00653	1.5
312.01355	2.4
314.03198	0.9
316.00848	44.8
317.01425	2.8
321.99713	11.6
323.97717	10.8
324.01385	2.6
325.99261	11.2
328.06149	1.1
334.01898	46.2
335.02246	1.8
340.00806	2.7
341.98782	28.3
342.02405	1.5
342.99304	1.4
344.00275	2.4
347.97546	1.8
349.99252	13.0
359.99878	11.9
360.04590	1.7
365.98792	1.1
368.00290	4.6
375.97092	1.6
378.00708	1.7
384.04898	1.3
386.02301	1.3
389.98849	2.0
392.00159	2.4
393.98297	1.8
395.99951	1.1
402.06049	8.6
403.06628	1.9
404.08075	1.3
407.99637	1.4
412.04300	1.5
417.98212	19.6
420.07089	33.8
421.07529	3.0
426.06107	1.5
428.03970	4.1
429.04834	1.5
430.05637	9.3
435.99268	7.7
445.97809	2.1
446.04987	5.4
448.06604	16.6
454.05594	3.6
458.04642	1.4
463.98474	1.6
464.05157	1.6
472.06509	1.6
480.03458	1.2
482.05551	4.9
500.05807	4.0
506.12308	90.8
507.12982	13.4
508.13544	1.8
522.04260	3.2
524.05804	2.9
532.10303	10.8
533.10724	1.5
534.11847	3.9
540.05487	2.3
542.06836	1.4
550.03790	4.7
560.13440	1.3
568.04889	8.0
586.11218	3.7
612.09332	1.3
626.10730	7.4
628.12231	5.1
630.09851	1.5
652.22571	1.2
654.10150	16.0
672.11298	20.5
673.11261	1.5
690.12231	2.1
758.16357	9.6
776.18121	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	776.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
57.03434	2.4
61.02925	2.2
67.05486	0.5
68.99768	1.3
69.03067	0.7
69.03425	12.6
69.07039	0.6
69.57205	1.3
71.04962	1.5
73.02904	1.9
77.03922	0.4
79.05484	1.3
81.03415	11.1
81.07042	1.2
83.08598	0.7
84.90734	0.3
85.02899	29.2
87.00822	14.7
87.04448	1.0
91.03920	0.8
91.05468	1.5
93.07032	1.5
95.04946	0.6
95.08581	1.6
97.02885	11.7
97.06522	4.2
98.23434	0.7
99.04446	5.0
99.08058	0.5
105.01856	14.8
105.07033	0.5
107.04939	1.3
107.08566	1.2
109.02872	10.8
109.06488	0.4
109.10161	2.5
115.05459	0.5
117.01840	1.2
117.06988	2.0
119.08553	0.4
121.06555	0.8
121.10142	1.3
123.04411	0.8
127.03905	18.9
129.01781	0.8
129.06984	0.5
131.08545	1.4
133.10052	0.5
135.04385	2.4
135.08020	1.3
135.11684	1.3
135.36563	0.4
137.05963	1.3
142.07664	0.5
143.08553	0.6
145.04935	7.0
145.06465	2.0
147.02873	0.6
149.05991	1.3
151.07533	12.6
153.05461	5.0
157.06468	0.7
157.10075	1.7
159.02884	4.2
159.08029	2.4
161.06004	1.7
162.07707	0.5
163.07526	100.0
164.07898	2.6
165.09116	1.8
167.07077	0.9
169.10077	0.5
171.08043	0.9
173.06096	0.6
173.09573	1.0
174.06802	0.4
175.07544	2.6
177.09093	26.1
179.07028	1.1
179.10689	1.4
180.08731	0.7
181.08582	35.8
182.08870	0.6
185.09570	1.9
187.07486	1.7
189.03899	0.7
189.09087	5.2
191.10651	1.3
197.09615	1.4
201.09093	1.4
203.10654	23.0
204.10991	0.7
205.08534	0.7
205.12184	1.0
207.10077	2.1
211.11247	0.7
213.03893	1.7
213.09137	0.5
215.10625	6.8
217.12239	1.3
221.11705	33.4
222.12035	1.0
225.12624	0.5
227.10684	0.9
229.08662	0.5
229.12228	1.5
231.04976	5.2
233.11696	3.7
235.13222	1.1
242.13155	0.4
243.13826	0.5
245.11714	0.9
249.06038	1.3
253.12305	0.4
255.13701	0.4
257.15295	0.9
267.17422	0.5
269.15326	2.2
270.16086	2.2
271.09894	0.4
283.16785	0.6
285.15198	0.8
285.18457	20.6
286.18823	0.6
287.16269	0.7
295.16806	0.7
303.15942	2.6
303.19482	36.2
304.19879	1.4
313.17932	8.5
315.15857	0.7
329.17447	1.1
330.12357	0.4
330.75522	0.4
331.19009	66.2
332.19272	2.8
349.20062	61.3
350.20377	2.6
359.18506	0.5
373.20020	0.6
421.20117	0.4
439.21109	2.0
457.21994	0.4
493.24200	3.8
496.01669	0.4
497.21558	0.4
515.22736	0.8
533.23962	0.5
543.21570	0.8
558.43896	0.5
561.23187	1.1
579.24066	0.7
627.76031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03437	0.3
60.71101	0.2
61.02910	0.5
63.61964	0.2
67.05495	0.3
69.03442	1.2
69.07072	0.2
73.02921	0.2
79.05480	0.7
81.03423	0.3
81.07044	0.7
83.84297	0.2
85.02906	3.6
91.03934	0.2
91.05472	0.7
93.07034	1.3
95.04965	0.2
95.08617	1.0
97.02901	1.3
97.10115	0.2
98.85220	0.2
99.82365	0.2
105.07004	0.4
107.04947	0.5
107.08566	0.5
107.63171	0.1
109.02859	0.5
109.06522	0.2
109.10151	1.0
115.05464	0.3
117.06997	1.2
119.08561	0.4
121.06503	0.9
121.10150	1.5
123.04408	0.4
123.08086	0.4
124.62140	0.2
127.03894	0.8
129.06956	0.2
131.08557	1.3
135.04396	1.0
135.08052	0.6
135.11667	0.4
137.05954	0.7
140.07550	0.2
141.06921	0.2
142.07684	0.2
145.04950	1.0
145.06473	1.5
147.07996	0.3
149.05989	1.1
149.09621	0.3
151.03908	0.5
151.07541	14.6
152.07846	0.4
153.05461	2.1
157.06419	0.2
157.10114	0.5
159.08061	2.2
161.05988	0.2
162.06688	0.2
163.07536	32.7
164.07886	0.6
165.09113	1.5
167.07047	0.8
173.09605	0.3
175.07542	0.7
177.09103	28.6
178.09433	0.7
179.10670	1.4
180.08687	0.3
181.04880	0.2
183.11522	0.2
185.09613	0.7
187.07521	0.2
187.11238	0.3
189.09113	1.2
191.10640	0.9
201.09015	0.2
203.10661	6.3
204.11078	0.2
205.12227	1.2
211.11240	0.4
215.10640	1.6
217.12157	0.3
229.12186	0.4
239.14409	0.3
243.13829	0.3
257.15411	0.2
267.17368	0.5
269.15323	0.2
270.16064	0.4
285.18509	4.8
286.18848	0.2
301.07037	0.4
302.07379	0.3
303.15915	3.6
313.17972	1.7
331.19025	100.0
332.19382	4.2
435.20178	0.4
493.24207	1.8
494.24277	0.2
500.92459	0.2
574.25281	0.2
769.10724	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	776.473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.2
61.01491	0.2
65.03916	0.2
73.06557	0.6
77.03913	1.1
77.53216	0.2
79.05492	6.2
85.29151	0.2
87.04468	4.5
89.06028	27.5
90.06363	0.2
91.05469	2.7
91.07604	0.3
93.07078	1.0
95.04967	3.5
103.05463	4.7
103.06105	0.3
105.04598	1.4
105.07025	100.0
106.07350	2.0
107.04958	0.2
107.07089	0.4
113.00025	0.3
117.07018	0.4
117.09082	0.2
119.04923	0.5
119.08565	0.7
121.06503	6.2
129.07022	0.8
130.08641	0.3
131.07047	1.8
131.08562	4.1
133.08600	20.5
139.01553	0.6
147.08063	2.2
149.09608	0.7
165.06972	0.4
165.09099	1.5
166.07774	0.6
169.10095	0.3
173.09604	0.4
175.09668	0.9
175.11002	0.2
177.11218	7.9
179.08548	0.2
181.10199	0.2
191.10695	0.3
209.11690	0.7
209.13286	0.4
219.12294	0.2
221.13829	2.1
223.11148	0.8
225.12741	5.8
226.13184	0.2
227.12764	0.2
235.13200	0.3
239.14850	0.4
249.12767	0.5
251.14317	5.6
252.14616	0.2
253.16110	1.0
255.15926	0.5
265.16351	0.5
267.13757	0.2
267.17383	0.3
269.15375	3.9
271.15405	0.3
283.17398	0.5
295.16861	0.7
304.85355	0.2
309.19070	0.3
311.16541	0.2
313.17987	1.7
315.17941	0.5
327.17093	0.9
329.18976	4.7
330.19125	0.2
353.18713	0.2
355.20334	0.2
357.20389	0.4
359.20520	0.6
371.19809	0.2
373.21582	3.7
377.80899	0.2
403.23309	0.5
417.24054	0.2
419.24304	0.4
445.25867	0.3
447.25980	2.2
463.26761	1.0
477.27905	1.4
501.24341	0.2
507.29382	0.9
551.32147	6.7
552.31952	0.3
597.76184	0.2
611.35382	0.3
655.38257	1.7
656.38843	0.3
776.44226	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	776.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	0.5
59.32494	0.3
62.01243	0.4
65.67502	0.4
70.71449	0.5
70.71767	0.5
73.06544	0.8
77.03902	0.6
79.05484	5.7
87.04468	4.8
89.06024	32.6
91.05491	2.4
93.07049	1.1
95.04968	3.0
103.05458	5.4
105.04522	1.2
105.07021	100.0
106.07347	2.5
107.07055	0.8
115.06134	0.4
117.06979	0.4
119.04912	0.9
119.08608	0.5
121.06503	7.7
129.06972	0.7
130.08618	0.4
131.07062	2.6
131.08563	5.0
133.08594	22.5
133.10164	0.8
145.06456	0.5
147.08011	2.8
149.09608	0.9
165.09088	1.9
166.07903	0.4
175.09616	1.1
177.11215	9.7
209.13324	0.7
221.13824	1.8
223.11208	0.8
225.12724	6.8
227.12834	0.5
231.12090	0.4
235.13219	0.5
240.50681	0.4
251.14287	6.5
253.15817	1.2
265.16476	0.7
267.13815	0.5
269.15292	4.3
283.17337	0.6
295.17029	0.9
311.16156	0.6
313.17896	2.7
315.17999	0.6
327.17453	1.3
329.18970	5.7
330.19296	0.6
359.20599	1.2
373.21533	4.3
403.23395	0.4
419.24283	0.8
447.25778	2.1
463.26770	1.2
477.27673	2.1
507.29572	0.5
551.32043	8.9
655.38068	2.1
776.43573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	8.8
55.05506	34.3
57.03435	20.7
57.07078	3.9
57.09554	2.6
59.04981	4.5
60.50202	2.7
65.03930	6.0
67.05503	93.7
69.03429	8.8
69.07063	28.8
71.01328	4.9
71.04983	12.9
73.02914	4.4
79.05044	5.9
79.05486	89.8
81.03407	9.3
81.07056	84.5
83.04985	15.7
83.08636	12.9
83.09068	3.2
85.02871	6.4
85.06524	5.0
87.04462	32.3
89.06030	18.8
89.77892	2.7
91.05475	64.1
93.07038	100.0
93.31752	2.6
94.04112	2.8
94.07366	2.5
95.04973	26.3
95.08025	4.4
95.08603	57.8
97.02881	10.0
97.06526	10.8
97.10150	5.7
99.04434	3.2
99.08077	3.5
103.05383	4.0
105.04497	6.1
105.06346	5.5
105.07027	94.1
105.07732	5.4
106.07375	5.7
107.04918	14.1
107.07918	4.2
107.08588	41.3
107.26241	2.7
109.06505	4.4
109.10157	28.6
111.04436	12.6
111.08053	4.2
111.11697	5.2
113.06020	4.9
117.07022	15.4
117.63163	2.6
119.08578	33.8
121.06499	8.0
121.10134	56.8
123.08051	5.9
123.11700	6.9
125.09634	5.2
127.01522	3.0
129.06976	8.8
130.07722	3.6
131.08565	30.4
133.08575	10.4
133.10121	17.5
135.08029	5.7
135.11676	24.0
137.09540	6.0
139.11157	14.3
143.08562	4.5
145.06465	3.7
145.10104	26.5
147.08052	16.4
147.11691	12.0
149.09587	16.1
149.13268	11.0
155.08580	3.2
157.10104	4.2
159.11684	8.1
161.13309	4.3
163.11159	18.8
167.10684	5.9
171.11678	3.2
173.09586	9.3
173.11876	3.0
173.13303	6.9
181.10104	4.0
181.12167	5.2
191.10620	13.5
203.12787	3.9
209.11714	27.8
225.12711	7.2
227.12717	18.2
241.14291	5.1
243.21040	5.0
245.13835	17.0
261.22147	8.8
269.15189	3.2
283.15344	20.7
301.16434	58.9
303.22955	3.1
319.17487	7.5
335.25763	75.3
418.46481	3.2
451.32077	6.0
469.33209	5.4
477.90170	3.4
487.33951	4.1
501.35541	4.2
525.36072	5.7
543.36798	27.7
544.36725	4.1
561.37726	44.0
579.38397	8.0
776.40778	9.6
776.89667	5.8
785.12585	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	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.4
55.05509	44.7
57.03432	18.5
57.07069	2.1
59.04992	4.4
61.02917	4.6
64.74875	0.8
65.03934	4.3
67.05500	100.0
68.04819	0.9
68.05827	1.1
69.03426	4.5
69.07063	17.0
69.35428	5.1
71.04979	4.8
73.02914	3.6
73.06564	1.3
75.63779	1.0
79.05486	51.5
81.03418	6.6
81.07050	61.0
83.04977	6.3
83.08615	16.0
85.02901	17.1
85.06546	3.1
87.04463	13.8
89.06034	7.0
91.03958	1.5
91.05474	29.5
93.07039	43.4
95.04964	8.4
95.08601	42.7
97.02869	4.7
97.06517	5.8
97.10160	21.4
97.10749	1.8
99.04424	1.3
99.08097	2.3
101.06033	1.1
103.03952	1.4
103.05488	2.6
105.04494	2.9
105.07020	38.8
106.07336	1.8
107.04941	2.3
107.08586	25.2
109.06497	2.7
109.10148	54.1
110.10493	1.4
111.08074	4.1
113.05985	0.9
117.07016	7.2
119.08578	16.5
120.51046	0.9
121.06504	1.6
121.10139	20.7
123.08059	2.3
123.11720	4.7
125.09628	21.7
127.01550	2.1
127.11209	1.2
129.06998	2.5
130.23940	0.9
131.06998	1.2
131.08530	11.2
133.08582	4.3
133.10118	8.9
135.08080	2.0
135.11687	13.5
137.09598	3.0
137.13263	1.0
139.01564	1.1
139.11166	2.1
142.14998	0.9
143.08571	1.8
143.10713	3.0
143.21811	0.9
145.10117	9.7
147.08043	3.4
147.11713	6.0
149.09676	2.2
149.13275	4.3
151.11090	0.9
153.03067	1.0
153.12764	1.6
155.08513	1.1
155.10677	3.8
157.10110	1.4
159.11714	4.9
161.09706	1.3
161.13237	4.5
163.11179	4.0
163.14821	2.4
171.11737	2.2
173.11740	12.5
173.13261	4.7
175.14777	1.9
177.11229	1.9
177.12679	1.4
177.16454	1.0
181.12202	1.2
184.07297	1.8
185.13324	1.3
187.14877	2.4
191.10667	1.4
199.13240	10.0
199.14847	1.3
209.11761	2.8
211.13287	1.7
217.14349	1.8
227.12677	5.0
229.14330	41.7
230.14671	1.4
243.21091	3.7
245.13751	2.2
251.14168	1.7
259.20529	1.2
261.22147	12.9
267.15973	5.1
283.15387	2.3
289.21732	1.3
301.16479	15.5
312.21445	1.1
315.23090	1.9
317.24957	1.8
327.23041	0.9
333.23935	1.4
335.25787	65.1
336.26031	3.3
363.25186	1.5
406.83170	1.1
425.33078	1.0
459.35034	1.9
469.33252	1.3
477.35782	7.7
489.35626	11.1
543.36487	3.1
561.37823	5.7
579.39240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
55.05258	3.1
55.05511	49.0
57.03434	15.1
57.07071	2.1
59.04996	5.7
61.02923	4.2
65.03949	3.9
67.05501	100.0
69.03432	4.9
69.07063	24.0
71.01344	2.0
71.05001	4.0
71.42843	1.7
73.02913	4.2
79.05487	55.6
81.03419	7.3
81.07051	67.9
83.04980	6.9
83.08617	21.4
85.02902	17.8
85.06553	2.7
87.04461	19.6
89.06015	10.3
91.03911	1.8
91.05473	34.3
93.07037	43.4
95.04955	13.4
95.08605	44.3
97.02903	2.5
97.06541	4.9
97.10166	25.9
99.08050	1.8
105.04534	3.7
105.07024	51.7
106.07354	1.7
107.04952	2.3
107.08591	31.6
109.06535	4.4
109.10146	47.2
111.08079	3.9
117.07021	7.3
119.08580	17.0
121.06468	1.6
121.10137	20.2
123.08090	2.1
123.11710	5.2
125.09629	22.8
128.05952	1.6
129.06931	2.1
131.08569	13.9
133.08575	5.3
133.10103	12.3
135.07986	2.7
135.11671	10.7
137.09651	2.7
139.11148	3.1
139.76346	1.8
143.08611	2.4
143.10678	3.5
145.10117	9.9
147.08037	4.2
147.11719	6.8
149.09627	3.8
149.13264	7.9
151.11229	1.8
157.10149	3.2
159.11705	5.8
161.13252	3.4
163.11162	4.9
163.14795	2.7
171.11679	2.0
173.11761	12.8
173.13283	6.5
175.14809	2.0
177.11211	2.3
181.12193	1.7
184.07339	2.0
185.13289	2.3
187.14828	3.6
189.11232	3.1
193.12254	3.1
197.13295	1.8
199.13246	10.0
203.12711	1.9
203.80322	1.8
209.11710	2.2
217.14340	2.7
227.12741	9.8
229.14310	38.0
243.21059	3.8
245.13702	2.4
257.13800	2.4
259.20554	2.6
261.22156	12.7
267.15869	5.2
283.15518	2.7
299.14969	3.2
301.16415	21.2
317.24750	1.8
319.17416	1.9
335.25778	59.8
336.26248	4.5
337.27243	4.7
338.38113	1.6
363.25235	2.1
419.29126	1.5
433.21689	3.6
469.33432	1.5
477.35587	10.7
489.35721	10.2
529.38599	1.8
543.36658	5.9
561.37811	9.1
579.37885	3.8
777.41412	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	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
55.05258	3.1
55.05511	49.0
57.03434	15.1
57.07071	2.1
59.04996	5.7
61.02923	4.2
65.03949	3.9
67.05501	100.0
69.03432	4.9
69.07063	24.0
71.01344	2.0
71.05001	4.0
71.42843	1.7
73.02913	4.2
79.05487	55.6
81.03419	7.3
81.07051	67.9
83.04980	6.9
83.08617	21.4
85.02902	17.8
85.06553	2.7
87.04461	19.6
89.06015	10.3
91.03911	1.8
91.05473	34.3
93.07037	43.4
95.04955	13.4
95.08605	44.3
97.02903	2.5
97.06541	4.9
97.10166	25.9
99.08050	1.8
105.04534	3.7
105.07024	51.7
106.07354	1.7
107.04952	2.3
107.08591	31.6
109.06535	4.4
109.10146	47.2
111.08079	3.9
117.07021	7.3
119.08580	17.0
121.06468	1.6
121.10137	20.2
123.08090	2.1
123.11710	5.2
125.09629	22.8
128.05952	1.6
129.06931	2.1
131.08569	13.9
133.08575	5.3
133.10103	12.3
135.07986	2.7
135.11671	10.7
137.09651	2.7
139.11148	3.1
139.76346	1.8
143.08611	2.4
143.10678	3.5
145.10117	9.9
147.08037	4.2
147.11719	6.8
149.09627	3.8
149.13264	7.9
151.11229	1.8
157.10149	3.2
159.11705	5.8
161.13252	3.4
163.11162	4.9
163.14795	2.7
171.11679	2.0
173.11761	12.8
173.13283	6.5
175.14809	2.0
177.11211	2.3
181.12193	1.7
184.07339	2.0
185.13289	2.3
187.14828	3.6
189.11232	3.1
193.12254	3.1
197.13295	1.8
199.13246	10.0
203.12711	1.9
203.80322	1.8
209.11710	2.2
217.14340	2.7
227.12741	9.8
229.14310	38.0
243.21059	3.8
245.13702	2.4
257.13800	2.4
259.20554	2.6
261.22156	12.7
267.15869	5.2
283.15518	2.7
299.14969	3.2
301.16415	21.2
317.24750	1.8
319.17416	1.9
335.25778	59.8
336.26248	4.5
337.27243	4.7
338.38113	1.6
363.25235	2.1
419.29126	1.5
433.21689	3.6
469.33432	1.5
477.35587	10.7
489.35721	10.2
529.38599	1.8
543.36658	5.9
561.37811	9.1
579.37885	3.8
777.41412	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	776.515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11410	2.3
54.73043	2.3
54.87395	2.1
55.05508	13.2
57.03432	6.8
57.07066	3.4
67.05508	32.9
69.03423	2.6
69.07061	14.2
69.74025	2.2
71.05015	2.6
71.43524	3.6
73.02949	2.1
73.06554	2.3
76.50760	2.3
79.05490	16.3
81.03412	46.4
81.07054	33.4
83.08604	18.4
85.02940	3.1
87.04475	7.5
89.06023	22.1
91.05471	15.0
93.07043	16.1
94.30927	2.0
94.78157	2.3
95.04962	22.2
95.08609	23.1
97.06510	3.3
97.10184	8.6
103.05479	4.8
104.18091	2.3
105.07025	100.0
106.07357	8.9
107.04956	4.3
107.08604	8.2
107.99133	2.4
109.06509	3.8
109.09515	2.2
109.10162	10.5
111.08067	3.7
119.08619	13.6
121.06498	6.9
121.10152	9.4
123.11717	2.9
129.07001	6.4
131.08577	6.8
133.08611	10.3
133.10165	6.9
139.01547	9.0
145.10081	2.5
147.08040	4.9
147.11687	7.1
149.09676	2.7
149.13254	2.3
157.10112	5.1
163.11288	2.3
165.12798	2.8
168.93187	2.1
175.11263	4.8
175.14755	3.0
177.11238	6.5
184.07338	3.9
193.12175	14.2
209.13287	5.6
225.12753	2.7
251.14433	3.4
263.23651	4.8
267.15866	58.7
329.18979	3.4
337.27344	57.3
529.38794	47.5
547.39740	27.1
551.32141	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.5
57.03437	1.0
57.07072	30.4
59.04999	0.9
62.23290	0.9
67.02766	0.8
67.05499	2.6
69.07050	3.6
69.08921	6.2
71.08627	24.3
73.02917	1.6
73.06547	11.3
79.05487	3.1
81.03412	3.5
81.07036	3.1
83.08621	3.1
85.10172	17.2
87.04461	12.7
89.06024	100.0
91.05476	2.3
93.07008	1.9
95.04955	1.8
95.08589	2.9
96.08919	0.9
97.10170	4.2
98.22049	0.9
99.11705	4.5
105.07030	7.3
106.07340	1.3
107.07075	2.7
111.11716	3.3
113.13248	1.5
117.09127	9.6
127.14828	1.2
129.06998	1.4
130.08696	0.9
131.06990	4.3
133.08592	53.4
135.10075	1.2
145.10110	0.8
146.54593	0.9
147.08041	1.3
151.09645	0.8
156.65849	1.1
161.11745	3.1
169.19536	4.3
175.09642	3.0
177.11206	23.1
184.07375	1.1
187.58711	0.9
211.30901	0.8
213.22086	3.4
221.13818	3.1
241.99971	0.9
242.16341	0.8
257.24692	7.9
267.15930	2.4
268.16150	1.2
269.16574	0.9
283.17462	1.3
301.27264	4.4
321.37170	0.8
335.25717	2.0
336.26154	1.0
337.26462	1.3
476.50269	0.9
529.37952	2.4
545.28864	0.9
547.39124	2.1
759.53918	1.6
776.56799	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	777.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
57.03432	0.3
61.02918	0.3
65.03934	1.2
67.05503	0.5
69.03432	1.0
71.04979	0.2
71.43184	0.2
79.05489	0.4
81.03410	2.8
85.02905	1.9
93.03401	0.6
95.04958	0.8
97.02879	1.3
99.04424	0.3
105.04534	0.3
107.04951	4.1
107.80243	0.2
108.02097	1.1
109.02875	1.6
110.03674	0.2
111.04431	1.3
123.00878	0.3
125.05962	1.0
125.15449	0.2
127.03921	0.7
135.04425	2.1
136.01530	0.3
137.02339	0.6
141.05452	0.8
145.04871	0.2
151.03897	59.5
151.04959	4.0
152.04237	1.0
162.81323	0.2
169.01314	23.6
169.04947	2.9
170.01630	0.5
181.51396	0.2
257.04456	0.2
261.03992	0.3
295.08118	4.5
303.04959	100.0
304.05289	3.0
313.05438	0.2
313.09131	4.1
313.12485	0.3
345.05850	0.3
396.65588	0.2
465.10471	0.4
615.13385	5.3
616.13257	0.2
673.19623	0.2
754.39374	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	778.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.4
57.03426	1.6
60.10553	0.5
61.02929	2.9
63.61930	0.6
65.03927	1.0
69.03425	6.5
71.04983	1.0
73.02902	1.0
77.03934	0.9
79.05474	3.1
79.43815	0.6
81.03410	3.7
85.02900	23.0
87.04442	0.9
89.03908	0.8
90.04652	0.7
91.03930	1.7
91.05486	11.7
93.07036	13.4
95.04957	3.6
97.02885	7.9
99.04438	1.9
103.05457	14.6
105.04514	2.4
105.07023	21.3
106.04161	2.7
107.04938	2.8
109.02874	2.2
115.05451	4.0
118.04139	1.7
119.04976	0.9
121.06496	27.4
122.06925	0.7
125.05946	0.9
125.41627	0.7
127.03901	5.0
130.04057	0.9
131.04907	3.6
131.05974	1.4
133.06485	22.7
134.03577	0.8
135.04385	0.8
137.05928	1.1
143.06009	2.2
145.02806	1.5
145.04962	5.6
147.04416	0.9
148.05185	1.7
149.05972	49.1
150.06589	0.8
151.03894	2.0
153.09102	1.0
161.05969	40.9
163.03903	1.6
163.06232	0.6
163.07500	3.5
165.05223	0.5
167.07036	4.0
169.01364	1.4
171.04381	0.6
177.05458	8.6
177.09053	0.6
178.79643	0.6
180.07730	1.1
181.08586	33.8
191.07018	20.2
191.08415	0.4
193.08592	57.4
194.09019	0.9
195.06549	0.8
209.08070	100.0
210.08452	1.9
303.04944	4.3
304.05377	3.7
371.13242	8.9
399.86740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
55.08961	0.4
57.03434	2.4
59.05009	0.7
61.02921	5.1
67.05500	4.3
69.03426	3.5
69.07063	0.9
70.70926	0.5
71.05002	1.1
73.02913	5.6
77.21155	0.5
79.05500	3.6
81.03423	3.5
81.07056	4.6
83.04977	0.6
83.08646	0.9
85.02901	5.1
85.06538	0.6
86.09715	1.2
87.04491	1.6
89.06051	1.3
91.03954	4.1
91.05476	3.2
93.07046	4.2
95.05000	1.5
95.08617	3.3
97.02884	4.5
97.03374	0.3
97.06529	0.5
99.04489	1.1
101.02389	2.6
105.07027	7.6
106.07388	0.6
107.08583	2.5
109.02871	0.9
109.10194	1.3
119.08606	1.7
121.10159	2.2
125.00015	0.6
127.03947	1.4
129.07007	0.4
131.08601	1.6
133.08650	0.7
133.10187	1.2
135.11757	0.7
145.05081	0.7
145.10149	0.7
147.11731	1.3
149.09673	0.9
184.07350	4.0
185.04231	0.9
185.56622	0.4
193.12256	1.0
203.05360	0.6
225.14970	0.5
233.11571	0.7
243.08377	2.8
283.15146	5.5
317.18085	0.6
335.25647	0.9
339.18146	1.1
469.21002	0.4
490.20569	0.4
501.23071	7.9
519.29291	8.0
520.30005	0.6
779.45453	100.0
780.45740	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	780.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01894	0.4
59.04994	2.7
60.08163	0.5
69.10226	1.7
69.10629	0.6
71.04977	0.8
72.20852	0.3
73.02912	2.6
73.06551	0.8
76.06129	0.3
77.03927	1.0
78.99485	1.1
79.05482	7.0
86.09691	3.5
87.04462	3.7
89.05464	0.4
89.06019	9.4
91.05473	12.8
93.07025	1.7
95.04955	3.9
98.98423	0.7
103.05464	7.7
103.07564	2.8
105.04615	1.8
105.07017	100.0
106.07349	1.9
107.04935	2.4
109.00529	0.4
111.60982	0.3
112.99988	2.8
115.05473	0.7
115.07549	0.5
116.06197	0.6
117.07001	2.2
117.09106	0.7
119.04941	1.0
119.08572	5.9
121.06496	12.7
124.99979	3.2
127.01553	29.3
128.06177	1.6
129.06996	3.6
131.04808	0.5
131.06993	0.9
131.08549	10.4
132.05675	1.3
132.10185	0.4
133.06462	0.6
133.08588	5.5
133.10117	1.7
135.08032	1.0
139.01538	10.9
145.06476	1.2
147.08031	44.4
147.10057	1.2
148.08385	1.4
149.09595	10.0
153.03094	33.6
155.06049	0.4
159.10182	0.5
165.07004	0.5
165.09099	0.9
166.07773	0.4
173.09567	0.8
175.09618	0.8
175.11101	0.5
177.11186	1.9
178.07692	0.4
179.08470	0.6
181.06482	0.4
181.10095	2.2
183.04182	5.4
184.07321	13.4
191.10623	1.2
193.12296	0.6
197.05722	19.4
207.11644	0.5
208.08804	0.6
209.11571	0.4
209.13322	0.5
215.06703	0.5
221.13513	0.4
223.11102	2.9
225.12715	25.7
226.13022	1.0
227.06700	2.2
227.12907	0.5
237.12733	0.5
241.08328	5.4
249.12721	4.0
250.13097	0.4
251.14285	3.8
259.09338	1.1
267.13736	0.6
269.15427	2.8
271.09372	2.7
271.15454	0.5
285.10788	2.0
295.16766	0.6
303.11966	1.1
313.17999	0.9
315.11935	1.3
322.27225	0.4
327.17242	0.8
329.13605	0.4
329.18845	0.8
347.14618	0.9
359.14587	0.7
373.21579	5.1
445.25522	0.5
458.32666	0.4
555.24854	0.5
659.31830	1.6
763.37415	1.4
780.41156	0.8
781.41223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.8
60.08156	2.5
61.62154	0.8
69.81244	2.4
71.04990	1.0
71.07376	2.0
73.02933	2.4
73.06569	1.4
79.05492	6.2
86.09702	15.0
87.04473	3.6
89.06033	8.3
91.05473	13.2
93.07056	2.0
95.04962	4.7
95.84418	0.8
98.98476	1.4
103.05463	7.8
103.07583	2.6
104.10698	0.8
105.07026	100.0
106.07324	2.2
107.04946	2.0
113.00019	3.3
116.06255	0.9
117.07025	2.1
119.04964	1.4
119.08573	5.8
121.06490	10.8
125.00000	9.3
127.01567	27.7
128.06190	1.7
129.07022	3.5
131.08557	11.5
133.08620	5.2
133.10162	1.9
139.01550	9.0
145.06387	1.4
147.08035	42.0
149.09624	8.4
153.03108	31.3
155.06004	1.0
175.09625	0.9
177.11273	1.6
181.10071	1.4
183.04173	3.6
184.07335	42.5
191.10811	1.0
197.05760	14.0
219.97890	0.8
223.11165	1.7
225.12741	21.4
227.06737	1.8
241.08330	4.3
249.12781	2.4
251.14211	2.4
259.09418	1.7
269.15338	1.9
271.09433	1.1
285.11002	1.4
290.37097	0.8
315.12054	1.2
373.21500	5.4
528.35803	0.8
538.31128	1.0
659.31647	1.9
763.38104	1.1
780.40411	2.9
780.55090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59100	0.1
58.68280	0.1
69.03416	0.1
69.07063	0.1
71.04998	0.1
71.43108	0.1
73.02913	0.5
73.06567	0.7
79.05502	0.1
81.03425	0.2
81.07068	0.1
83.08524	0.1
85.02896	0.2
86.09711	0.2
87.04462	100.0
88.04797	0.7
89.06019	2.0
95.04945	0.1
95.08603	0.1
105.07034	0.1
115.07554	0.1
117.09127	0.8
121.02872	0.7
131.07031	3.1
131.08585	0.2
133.08595	1.1
136.06226	0.1
147.04401	0.2
149.08170	0.1
160.41098	0.1
161.11761	0.2
175.09615	0.8
177.11160	0.5
184.07379	0.3
193.10663	0.1
219.12265	3.1
221.13989	0.1
234.56377	0.1
263.14926	0.4
277.08636	0.1
405.06128	0.4
409.12613	0.2
433.16327	0.1
601.23083	0.3
743.18243	0.1
780.46381	1.6
781.21661	0.1
781.45471	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	780.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	4.5
60.86737	3.3
69.69011	7.2
69.69399	6.9
71.07379	3.6
78.44142	3.3
83.03380	2.9
84.55585	3.4
86.09702	11.5
101.24747	4.0
125.00001	9.0
184.07327	100.0
214.77307	3.2
562.97778	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	780.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05508	3.9
57.03427	2.7
58.06607	0.7
59.04983	1.6
61.83149	0.3
65.03914	0.8
67.05500	16.2
69.07057	0.8
69.30535	2.3
70.06585	5.5
71.04975	0.7
72.04502	2.4
72.07744	0.4
72.08152	11.9
79.05488	17.5
81.07055	5.2
83.04977	10.6
84.08135	1.6
89.96325	0.4
91.05476	1.2
95.04943	0.9
95.08596	0.9
96.08123	0.8
98.04731	0.4
98.09681	0.6
100.07610	40.6
100.11250	1.5
101.07955	0.7
105.07034	1.0
107.08588	19.5
109.06528	0.5
110.09678	3.5
111.14285	0.4
119.06091	0.4
121.10093	0.4
124.11221	17.0
125.09623	45.5
126.09123	0.5
126.09961	1.0
138.09142	0.8
152.10687	4.0
159.38324	0.3
171.11208	0.6
178.15892	1.2
182.15495	0.6
187.14377	4.9
196.16924	2.2
204.17064	6.4
209.16418	0.6
210.14967	0.7
224.16393	3.4
254.53870	0.4
256.20203	3.8
310.24829	2.8
328.25906	100.0
329.26138	3.5
441.81436	0.4
453.34250	5.2
550.03284	0.4
689.98187	0.4
780.23578	3.7
781.24084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.05511	2.1
57.03432	1.7
58.17761	0.7
60.08171	0.8
61.02929	4.1
65.14854	0.8
67.05486	5.0
67.82454	0.7
69.03428	2.9
69.07065	2.2
71.43100	0.7
72.51479	0.8
73.02904	3.5
79.05486	5.3
81.03430	4.1
81.07045	4.4
83.04968	0.9
83.08632	1.0
85.02897	4.6
86.09689	4.0
87.04469	1.4
89.06035	1.1
91.03970	2.5
91.05470	4.1
93.07051	6.1
95.04977	1.5
95.08610	1.2
97.02924	3.5
101.02383	1.3
105.07057	3.3
106.18741	0.7
107.08601	2.0
109.10194	1.0
111.08072	0.8
117.07030	1.0
119.08612	2.3
121.02879	2.2
121.04561	0.7
121.10194	2.8
125.00015	3.5
129.05522	0.7
129.06995	1.2
131.08586	1.0
133.10146	1.7
139.11208	1.1
147.11708	1.7
149.09680	1.2
175.66202	0.7
184.07341	13.5
185.04297	0.8
185.07744	1.0
193.12291	1.1
211.13724	1.1
220.08911	1.1
236.08009	0.7
243.08536	3.5
265.07083	1.4
267.16089	1.0
269.13535	1.7
303.19034	0.9
371.16870	0.9
405.06262	3.3
443.18991	4.9
469.20618	1.7
479.16751	1.7
487.21399	6.4
535.28613	6.1
562.51752	1.0
661.96631	0.9
763.42767	1.1
781.43402	100.0
782.43707	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	782.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05515	3.6
57.03428	0.8
57.07057	0.5
58.99577	1.2
61.01158	2.9
61.02922	0.7
65.03938	0.6
65.16640	0.4
67.05511	3.5
69.03067	0.7
69.03427	11.4
69.07076	1.9
69.64432	1.6
71.04970	0.6
73.02910	0.4
74.63075	0.4
77.00628	0.5
78.03433	1.2
79.05482	2.8
80.05016	3.3
81.03416	4.6
81.07052	3.3
83.04975	6.8
85.02900	5.2
85.06569	0.5
86.99052	1.1
87.04465	0.9
89.00622	3.9
89.06013	1.5
91.05466	5.6
93.07054	3.9
95.04945	2.0
95.08605	6.3
96.04491	2.5
97.02882	2.4
97.06517	1.2
99.04435	0.8
103.05454	0.7
104.10744	1.1
105.00082	1.6
105.07018	5.8
106.02908	2.1
107.04929	0.5
107.08598	4.5
109.02875	1.3
109.06519	0.9
109.10151	1.1
111.04436	9.2
111.08054	0.8
113.06021	1.0
115.05499	0.7
117.07024	3.6
119.06136	0.5
119.08578	6.4
121.02882	0.5
121.06501	0.6
121.10145	1.7
123.02634	0.5
123.08074	0.8
124.03945	100.0
124.99998	0.5
125.04296	1.3
127.03913	0.9
128.06183	0.9
129.07001	2.6
130.07829	0.8
131.04889	0.6
131.08560	7.4
132.99541	2.9
133.06496	0.5
133.08600	0.9
133.10117	4.3
135.08041	0.9
137.04199	0.8
137.09583	0.6
141.06987	1.7
142.07793	2.0
143.08543	4.9
144.07050	0.4
145.06490	0.5
145.10114	16.1
147.04457	0.5
147.08051	1.1
147.11687	2.5
153.06979	0.6
154.07744	0.8
155.08557	3.9
156.09378	1.9
157.10136	6.4
158.10846	1.4
159.07994	0.7
159.11697	8.7
161.09561	0.5
161.13257	1.6
165.07027	1.5
166.07773	0.6
167.08565	2.2
168.09296	1.0
169.10106	4.7
170.10869	1.2
171.11655	4.6
172.12439	1.3
173.09555	0.6
173.13202	2.8
175.11235	0.6
175.14677	0.4
177.05507	0.5
179.08522	1.9
180.09256	0.9
181.10123	4.2
182.10913	2.1
183.08057	0.5
183.11685	3.9
184.07387	1.0
184.12508	0.4
185.09612	0.6
185.13246	3.8
187.11246	1.5
187.14804	40.5
188.15245	1.5
189.07376	0.5
189.16479	0.5
191.08591	0.6
193.10101	2.4
194.10939	0.8
195.11671	4.6
196.12413	2.2
197.09631	0.8
197.13249	4.8
198.13995	0.5
199.11163	0.8
199.14821	2.7
201.07251	0.7
201.12796	0.4
203.08911	0.8
203.14371	0.4
205.10167	1.0
205.15891	0.7
206.10881	0.9
207.11641	1.9
208.12405	0.7
209.09651	0.7
209.13264	3.8
210.14058	0.8
211.11208	0.6
211.14793	5.3
212.15472	0.7
213.12810	0.5
213.16344	2.0
215.14311	1.7
217.10368	1.2
218.11147	0.5
219.11765	0.8
220.12540	1.4
221.13315	1.2
222.14050	0.5
223.11200	0.6
223.14803	1.1
225.16344	0.9
227.14201	0.6
229.15898	1.0
230.11278	0.5
231.11989	2.1
233.13174	0.8
235.14771	3.1
236.15596	1.0
237.12740	1.0
237.16396	1.6
245.13602	1.4
246.14047	1.2
249.16321	0.7
251.17950	3.3
253.15858	1.5
261.16376	1.9
267.17267	0.5
269.18994	1.2
279.17438	7.3
280.17944	0.4
297.18491	15.4
298.18988	1.1
307.13672	1.1
309.15152	13.1
312.15326	0.7
315.19534	0.9
319.13464	0.5
333.15259	1.4
401.17786	4.6
402.18146	0.4
419.18832	17.7
420.19376	0.8
429.96756	0.5
430.16568	0.6
432.18436	1.9
437.19843	0.7
520.28772	0.5
524.20837	0.8
542.22101	12.8
543.22131	0.8
560.23114	8.3
561.23840	0.7
602.24176	22.1
603.24396	1.4
722.28833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.5
57.03433	4.3
57.07078	3.9
61.02916	1.6
67.05500	12.7
69.03416	3.2
69.07061	15.0
69.07405	1.5
71.08638	0.9
71.19688	0.7
73.02912	6.8
79.05487	5.7
81.07051	32.6
83.08610	8.7
85.02898	5.6
86.09700	2.8
91.05457	7.6
93.07037	21.8
95.01318	1.2
95.04913	1.0
95.08599	56.3
96.08920	0.9
97.02884	9.0
97.10177	6.1
102.08318	0.8
103.05466	2.0
105.07017	15.8
107.08587	33.2
109.10152	39.1
111.11697	1.7
115.03930	5.9
117.06994	1.2
119.08576	27.4
121.10139	33.0
123.10789	1.0
123.11697	21.0
124.99962	1.5
131.04953	2.6
131.08539	6.7
133.04965	2.7
133.10117	19.3
135.11678	26.4
136.07584	1.5
137.13237	15.0
139.07553	0.9
141.01797	8.3
143.08490	1.0
145.10107	11.3
147.11670	15.3
149.13240	32.3
150.07594	0.9
150.13622	0.8
151.14766	2.0
153.09084	2.8
159.02911	2.3
159.11676	6.2
161.13268	10.5
163.14803	9.1
167.10696	1.5
171.11688	1.5
173.13208	5.8
175.14830	9.2
177.16351	7.1
179.10687	2.4
179.17961	2.5
184.07317	6.5
185.13179	1.2
187.14758	5.5
189.14645	1.5
189.16368	33.8
191.17931	52.9
192.18335	1.2
193.19550	0.8
199.14778	1.4
201.16370	45.8
203.03387	3.7
203.17934	44.3
204.18372	1.5
205.19501	43.6
207.17378	1.7
211.70798	0.9
213.16415	3.3
215.17926	17.8
217.07243	1.0
217.19469	9.9
219.17368	1.4
221.15311	1.8
229.19560	2.7
231.21021	3.8
232.06001	10.1
233.15224	1.1
235.16882	6.1
241.19421	2.5
243.21065	5.8
245.22675	4.1
247.16910	29.2
249.18492	4.7
255.21129	2.7
257.22589	2.7
259.16925	2.2
261.18445	9.6
269.22668	2.2
273.06094	1.2
275.20029	1.0
287.19998	1.7
289.21634	3.6
301.21719	1.2
307.09552	5.1
315.23160	1.7
326.10724	1.3
329.24887	0.8
336.12286	13.7
351.30664	1.6
357.27686	1.0
368.14871	4.1
372.09760	1.1
393.35126	14.5
421.34573	1.3
439.35678	100.0
440.36160	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	782.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	0.2
59.86061	0.1
65.12153	0.2
69.03422	0.2
71.04980	0.2
73.02914	0.8
73.06559	1.4
75.32878	0.1
87.04459	100.0
88.04808	0.8
89.06020	25.1
90.06360	0.3
90.08569	0.2
91.07593	0.2
95.08617	0.1
107.07046	0.4
113.05991	0.4
117.09117	1.2
121.02845	0.3
126.42669	0.1
131.07024	4.2
133.08588	14.8
148.49582	0.1
149.08049	0.2
161.11710	0.3
175.09662	1.7
177.11206	5.6
197.05743	0.1
205.14099	0.1
214.07323	0.1
219.12253	3.8
221.13805	1.0
223.15398	0.2
229.68793	0.1
263.14804	0.4
265.16434	0.2
267.44061	0.2
283.17468	0.2
287.68439	0.2
301.07074	0.2
307.17111	0.2
309.18979	0.3
311.20660	0.2
350.82269	0.1
620.23730	0.3
756.23749	0.2
765.43976	0.3
782.46204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84767	0.5
59.72553	0.4
79.05479	0.6
89.06036	1.0
91.05489	0.8
91.71853	0.4
119.04914	0.6
121.02894	0.5
147.04462	1.5
152.54001	0.5
159.66628	0.4
161.06020	0.6
167.07065	1.3
171.91512	0.4
176.04601	0.5
184.07333	0.8
191.07060	1.0
197.89206	0.4
212.27049	0.4
216.04106	0.5
217.08719	1.6
307.09738	1.0
327.12408	0.9
339.12436	0.7
347.08740	2.7
350.85162	0.5
361.10434	1.6
362.11176	5.2
363.12146	1.6
369.13483	0.5
377.09958	3.5
379.11829	0.7
392.12125	2.3
393.13135	1.1
443.37766	0.5
586.18213	2.3
587.19153	1.4
589.20300	1.0
783.26135	100.0
784.26410	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	784.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66324	0.5
71.01375	1.0
73.02924	1.0
85.02904	3.7
95.01316	2.3
97.02912	0.8
112.03988	0.8
113.02335	2.6
123.00799	1.0
131.03395	1.7
140.03429	12.0
141.01828	1.7
159.02859	1.3
163.03934	1.2
168.02916	59.8
169.01315	100.0
170.01645	2.1
187.02400	1.2
229.12419	0.6
241.04889	1.2
269.04425	0.7
286.07043	4.1
287.05463	7.9
303.05118	0.6
304.04596	0.7
304.08118	20.7
305.06516	50.0
306.06958	1.7
481.09763	0.6
784.24335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05016	0.7
64.44157	0.3
69.03416	0.4
70.06594	0.4
71.04985	0.6
72.59291	0.4
73.02913	2.1
73.06556	2.2
84.04501	0.4
87.04467	18.7
89.06029	100.0
90.06344	0.6
91.07603	0.8
95.04942	0.5
98.22647	0.8
107.07065	2.5
111.96828	0.5
113.06006	0.9
115.07586	0.5
117.09122	2.0
119.01105	0.4
130.05017	0.5
130.08635	0.5
131.07036	5.2
133.08600	58.8
134.08888	0.8
137.18431	0.4
147.04373	0.6
157.08627	0.4
161.11650	0.3
175.09680	4.0
177.11212	20.3
186.62907	0.5
193.51479	0.4
211.60522	0.4
219.12309	0.9
221.13872	3.2
239.14944	0.7
265.16528	0.8
283.17438	1.0
309.19006	1.1
317.16931	0.4
327.20078	0.5
339.17319	0.4
353.21432	0.6
433.80701	0.4
767.44958	1.1
778.10669	0.4
784.48035	0.7
804.16034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30520	0.3
57.45254	0.3
60.02884	0.3
61.02917	0.4
65.03929	3.3
65.51846	0.3
68.99799	0.3
69.03426	3.0
73.00945	0.3
77.03931	0.8
79.05499	0.5
81.03401	0.6
85.02888	0.6
89.03925	1.6
90.04670	0.5
91.05474	39.9
92.05820	0.6
93.03400	0.6
95.04970	1.6
101.03912	1.0
102.04729	0.4
103.05441	1.7
104.02589	0.4
105.03391	5.7
105.04507	0.6
105.07030	0.9
107.04961	0.7
109.02867	0.6
115.05426	1.7
117.03380	0.3
117.07023	2.5
118.04127	0.8
119.04932	59.0
119.78247	0.3
120.05273	1.1
121.02859	0.6
123.04448	0.3
127.03909	1.0
127.05245	0.3
129.03362	2.0
129.04486	0.6
129.07028	0.4
131.04904	1.1
132.02074	2.4
133.02826	0.7
133.06502	1.3
135.04367	1.1
136.05208	0.6
145.02847	1.2
145.06464	4.0
146.03647	0.6
147.04395	48.1
148.04759	1.0
149.02376	1.9
153.05513	0.4
155.05997	1.5
157.02704	0.5
157.03960	6.7
159.04393	0.7
160.01535	0.3
160.05159	0.4
161.02296	0.4
161.05989	2.3
162.03091	0.7
163.03864	0.6
164.04713	1.8
165.01831	0.8
167.03297	0.4
167.07021	0.9
171.04474	0.4
173.02361	0.6
173.05971	1.7
175.03896	78.9
176.04295	2.1
177.01823	0.6
177.05386	0.4
179.07028	3.8
187.03889	0.7
189.01833	2.7
189.05443	2.6
190.06146	0.3
191.03398	1.6
192.04163	1.0
193.05006	0.4
193.08611	0.8
195.02837	0.6
203.03381	1.3
205.04903	0.7
205.08594	0.6
207.06505	100.0
208.06824	2.2
213.05396	0.6
217.04948	5.1
219.02966	0.7
219.06526	1.3
221.08031	0.5
225.07607	0.4
227.03484	0.4
229.04970	0.7
231.06583	2.0
233.04532	0.4
235.05917	1.4
245.08028	0.5
249.07567	13.8
250.08070	0.4
251.06967	1.8
255.03093	0.4
255.06503	0.7
257.04150	0.4
261.07529	0.4
263.06866	0.7
264.07684	0.4
265.08612	1.8
267.06488	10.9
268.07071	1.5
269.07922	0.4
273.07495	0.6
275.07098	0.5
277.08578	0.4
278.05692	4.6
279.06491	11.0
279.09653	0.6
280.07007	1.2
281.08035	0.9
287.08994	0.3
289.08417	0.6
291.06409	13.8
292.07199	4.0
293.04449	0.5
293.07935	3.7
297.07553	17.0
298.07733	0.7
303.06287	2.3
304.07111	0.9
305.08044	4.2
306.08707	1.3
307.05988	0.5
307.09521	1.3
309.04373	0.2
309.07501	6.1
313.08575	0.6
315.08820	0.9
317.08044	2.6
319.05978	0.6
319.09518	0.9
320.06604	0.4
321.07529	17.3
322.07953	0.8
331.06009	0.4
331.09604	1.3
333.07349	4.7
334.08032	0.4
335.09113	2.7
337.06763	0.4
339.08521	1.3
341.07935	0.5
345.07584	4.0
347.08984	0.8
349.06967	0.4
349.10791	0.6
351.08380	1.8
351.10574	1.6
357.07529	1.4
359.08853	1.6
361.07101	0.3
363.08627	10.8
364.08923	0.8
369.07703	1.0
369.11768	15.1
370.11987	0.5
371.08923	0.4
373.11108	0.4
375.08566	3.6
381.09604	2.1
387.08572	3.7
393.09564	1.1
399.10828	3.7
405.09604	2.5
411.10455	1.2
423.10571	2.2
429.10004	0.6
441.11761	2.9
447.10757	0.6
456.11844	0.3
459.12140	0.4
465.11829	1.6
481.12357	0.4
483.13135	0.4
497.12302	1.8
499.13846	0.5
503.12515	0.3
507.12445	0.6
509.12381	0.5
511.12042	0.4
515.13245	4.9
516.13397	0.3
525.13806	0.9
527.13330	4.8
543.14581	0.5
545.14325	8.5
551.12823	1.0
569.14459	10.0
570.14655	1.0
575.12695	0.4
581.14178	0.7
593.14032	1.7
599.15454	2.9
611.15466	5.1
617.16864	0.5
629.16583	4.3
635.17517	6.8
636.17786	0.6
647.17474	7.9
648.17389	0.6
665.18634	4.9
689.18591	6.9
690.18488	0.7
701.17749	0.8
713.17889	1.1
713.38861	0.3
719.18494	0.6
731.19092	1.3
749.20520	3.3
767.21313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03438	0.5
57.54978	0.3
61.02955	0.3
63.02388	0.4
65.03934	4.8
69.03432	0.9
69.42121	1.4
76.03152	0.5
77.03930	1.1
79.05463	0.5
81.03413	0.5
85.02925	0.6
89.03923	1.3
91.05477	41.2
92.05805	0.8
93.99842	0.4
95.04982	0.7
101.03905	0.8
103.05463	2.1
104.02612	0.6
105.03381	4.9
105.04484	0.3
105.07015	0.5
107.05036	0.3
115.05444	2.4
117.03378	0.6
117.06991	4.4
118.04171	0.6
119.04936	57.8
120.05257	0.7
121.02911	0.5
129.03381	1.5
129.04449	0.6
131.04913	1.4
132.02081	2.7
133.02823	0.6
133.06488	0.9
134.03619	0.4
135.04443	1.2
136.05202	0.9
145.02834	1.4
145.06480	5.6
146.03635	0.7
147.04401	47.8
148.04796	1.0
149.02275	1.9
150.03120	0.3
153.05481	0.3
155.06068	2.0
157.02704	0.5
157.03969	6.8
159.04414	0.9
160.01646	0.4
160.05173	0.4
161.05974	1.8
162.03067	0.6
164.04709	1.7
167.07030	1.0
169.06470	0.3
171.04401	0.5
172.05214	0.6
173.02367	0.3
173.05994	2.6
175.03897	78.6
176.04295	1.8
177.01843	0.6
177.05457	0.3
178.02647	0.4
179.07037	3.9
189.01825	0.8
189.05460	2.9
191.03384	1.5
191.06940	0.6
192.04138	0.7
193.08560	0.5
195.02802	0.5
201.05339	0.4
203.03429	0.7
203.07040	0.4
205.05003	0.3
205.08728	0.7
207.06509	100.0
208.06845	2.7
217.04930	6.2
219.02890	0.5
219.06512	1.4
227.06911	0.5
229.04984	0.4
231.02686	0.3
231.06491	3.1
233.04588	0.5
235.05922	0.8
239.07101	0.4
245.08113	0.7
249.07552	9.0
250.08051	0.4
251.06961	0.7
252.07751	0.7
255.06502	0.6
261.03818	0.4
263.06985	1.4
265.08530	1.4
267.06485	5.2
268.07285	2.5
273.07626	0.5
275.06839	0.6
277.08505	0.4
278.05685	2.5
279.06506	9.4
279.09647	0.5
280.07111	1.1
281.08057	1.6
291.06442	10.0
292.07181	3.6
293.04810	0.3
293.08011	6.1
295.05893	0.3
297.07562	18.3
298.07990	0.5
303.06506	1.3
304.07236	0.4
305.08051	3.0
306.08762	0.7
307.06140	0.6
307.09613	1.4
309.07532	12.0
310.08173	0.4
315.08606	0.6
317.08029	1.5
319.05960	0.4
319.09555	0.8
320.06772	0.5
321.07529	18.7
322.07858	0.9
323.05496	0.3
323.09018	0.9
329.08109	0.4
331.09662	2.0
333.07388	4.0
335.09064	3.0
339.08572	3.8
345.07556	2.3
345.11365	0.5
346.08105	0.4
347.09088	1.1
349.10709	0.5
351.08084	1.5
357.07684	0.7
359.09152	1.2
363.08606	6.9
364.08951	0.5
369.07770	0.3
369.11853	4.0
370.12079	0.4
375.08685	3.4
381.09714	2.5
383.09128	0.4
387.08621	3.1
393.09720	3.0
399.10748	9.8
400.11185	0.4
401.10257	0.4
405.09619	4.6
411.10461	1.0
413.12103	0.6
417.11792	9.1
418.12180	0.6
423.10898	3.5
429.09848	0.7
437.10229	0.5
441.11810	12.7
442.12067	0.8
447.10654	0.5
453.09369	0.4
459.12869	2.7
465.11832	2.1
466.10947	0.3
477.11469	0.3
483.12704	1.0
489.11792	0.4
495.12689	1.4
499.13547	0.3
507.12979	2.1
509.12061	0.9
513.12122	0.4
525.13513	1.2
527.13379	3.3
543.14545	1.2
545.14484	3.9
551.13452	0.6
561.15417	1.3
579.17291	0.4
593.14258	0.6
611.15314	1.1
629.16510	2.6
647.17529	3.2
665.08142	0.4
665.18610	7.3
666.19147	0.6
742.76874	0.4
749.20630	0.7
767.20569	0.4
776.79486	0.4
785.22491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05502	0.6
57.03181	0.2
57.03434	2.1
61.02928	1.4
61.20882	0.1
67.05508	0.2
69.03419	1.5
69.33282	0.5
70.06600	0.1
71.01341	0.3
71.04990	9.4
72.08147	0.2
73.02913	1.0
75.04474	0.8
77.03922	0.5
79.05514	0.2
81.03416	3.3
83.04977	2.5
85.02899	16.5
91.03953	0.5
91.05466	0.6
93.07023	0.2
95.04960	1.1
95.08606	0.3
97.02891	3.7
98.22625	0.1
99.04442	0.8
100.07608	0.9
103.04027	0.3
103.05460	16.7
104.05741	0.2
105.04504	0.4
106.29456	0.2
109.02878	2.2
111.04418	1.8
119.04926	0.3
123.08086	0.8
127.03915	1.9
129.05467	3.4
129.06958	0.2
131.04918	100.0
132.05243	1.8
137.05930	0.3
145.04945	1.0
147.06496	2.0
149.05969	9.0
151.03879	0.2
151.07538	1.6
157.06468	0.3
161.05969	0.2
163.05995	0.3
163.07481	0.2
165.09094	0.3
171.07954	0.1
175.03934	0.2
175.07510	0.4
179.07059	0.8
181.08583	0.2
187.14256	0.2
189.09129	0.4
191.07037	1.4
193.08626	0.7
196.38715	0.2
199.07483	0.3
204.17058	0.3
205.08714	0.2
213.09169	0.2
217.08653	0.5
231.10141	0.5
233.08051	2.1
235.09642	1.3
237.07573	0.4
241.08731	0.2
247.09705	0.3
251.09215	0.2
253.12071	0.3
255.08606	0.7
257.08084	0.9
259.09634	3.7
270.05212	2.5
271.05957	0.6
273.09558	0.2
275.09122	3.6
277.10678	3.9
285.07550	5.8
286.07779	0.3
293.10162	17.9
294.10516	0.6
295.11835	0.3
385.12509	0.2
403.13846	0.4
407.14801	0.6
421.14780	0.3
425.15918	1.7
439.16052	0.4
443.16937	0.3
461.10614	0.4
461.49075	0.1
583.17975	0.4
642.02881	0.2
786.34119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05494	0.6
57.03228	0.2
57.03437	2.1
61.02930	1.3
66.21183	0.2
67.05486	0.3
69.03415	2.3
70.06570	0.3
71.01322	0.4
71.04986	11.6
73.02899	0.7
75.04464	0.9
77.03921	0.5
79.05479	0.2
81.03419	1.5
83.04977	2.9
85.02897	17.5
87.04462	0.3
91.03952	0.7
91.05470	1.0
95.04958	1.3
97.02885	6.9
99.04439	1.0
99.83591	0.2
100.07606	0.3
101.02363	0.2
103.05456	15.0
104.05788	0.3
105.04546	0.4
105.07038	0.3
109.02862	0.6
111.04427	1.8
119.04954	1.1
121.06497	0.5
127.03916	1.8
129.04567	0.3
129.05473	5.8
131.04912	100.0
132.05234	1.9
133.02837	3.2
137.05957	0.8
145.02797	0.3
145.04942	1.2
147.04401	0.8
147.06502	2.7
149.05972	8.1
149.07176	0.4
150.06665	0.3
151.03914	0.3
151.07556	1.2
152.78966	0.2
161.06052	0.3
165.05434	0.5
165.07635	0.3
168.00592	0.3
175.03909	1.7
177.05449	0.7
179.07005	0.4
181.08527	0.5
183.02878	0.5
186.01622	0.3
188.09218	0.2
193.08615	0.6
201.05460	0.5
207.06519	0.8
208.06970	0.3
233.05882	0.3
233.07993	0.4
247.09688	0.4
255.08632	0.4
259.09656	0.4
261.05481	0.3
261.11203	0.5
265.10870	0.3
270.05310	0.4
271.05984	1.1
271.08575	0.2
273.00409	0.2
273.09796	0.3
275.09122	1.7
277.10629	0.9
285.07562	0.9
286.04694	1.7
286.07681	0.4
287.05350	0.2
293.10162	32.4
294.10428	1.2
301.07040	7.3
309.11917	0.2
325.10678	2.1
403.13754	0.3
439.15854	0.3
469.14871	0.3
530.23120	0.3
549.26715	0.3
685.25037	0.2
764.09399	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	786.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.03437	2.6
61.02921	1.3
69.03420	2.8
70.06561	0.2
71.01347	0.4
71.04991	11.2
73.02907	1.0
75.04475	0.9
77.03931	0.4
81.03414	1.5
81.25033	0.3
83.04980	3.1
85.02900	18.0
91.03951	0.7
91.05478	0.9
93.06987	0.3
95.04965	1.0
97.02890	5.9
99.04456	0.8
100.07593	0.2
103.05463	15.8
104.05774	0.2
106.14985	0.3
109.02905	0.3
111.04431	1.6
119.04945	0.5
121.06498	0.4
127.03932	1.5
129.05487	4.5
131.04921	100.0
132.05258	1.7
133.02882	1.5
137.05972	0.4
141.39893	0.2
145.04965	0.8
147.04532	0.3
147.06516	2.8
149.05978	5.5
151.03915	0.3
151.07567	0.8
163.06021	0.3
165.09106	0.3
168.00450	0.3
169.08739	0.2
175.03868	0.7
177.05437	0.4
179.07065	0.4
181.08641	0.5
219.83641	0.2
233.08003	0.4
255.08707	0.3
259.09552	0.7
261.11154	0.4
271.05930	0.5
273.09488	0.3
275.09064	1.7
277.10718	0.7
285.07605	0.4
286.04819	1.2
286.07715	0.3
292.07193	0.3
293.10178	27.5
294.10489	0.7
301.07071	3.1
309.11813	0.3
325.10522	0.5
512.77496	0.2
570.89880	0.3
646.06232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
57.07074	28.3
59.04995	6.5
67.05492	1.7
69.03419	1.5
69.07072	4.8
69.59649	0.7
69.88712	2.3
71.04980	0.9
71.08629	60.8
73.02910	7.0
73.06544	4.6
78.99503	2.6
79.05476	2.9
81.07052	1.4
81.07921	0.8
83.08604	1.3
85.10177	31.3
85.98643	0.7
87.04463	32.5
89.06024	35.2
90.04697	1.0
91.05473	21.6
91.06053	1.0
93.07041	8.5
95.04984	4.6
95.08594	1.7
103.05466	4.0
103.07586	5.6
104.06284	1.3
105.04496	1.5
105.07022	25.2
106.07357	2.1
107.04943	5.0
107.06993	0.9
107.08585	6.5
109.00555	0.7
109.10134	1.2
113.00007	10.0
113.06032	1.8
115.05402	0.8
115.07552	1.0
117.07008	4.1
117.09128	2.7
118.07790	2.9
119.04944	3.5
119.08591	7.6
121.06503	25.8
121.10139	3.3
123.08044	1.7
127.01559	83.7
127.14835	1.1
129.07034	1.2
131.07027	10.2
131.08565	2.9
133.06416	1.0
133.08592	18.8
135.08043	8.8
135.11682	3.1
136.05190	1.0
139.01541	33.5
145.10127	2.2
147.04440	1.0
147.08051	11.9
147.10118	4.0
149.09615	6.8
150.06737	2.9
153.03105	100.0
154.03470	1.5
159.11685	2.0
161.09619	2.1
163.07527	0.7
163.11160	5.7
165.09132	6.1
167.10689	1.3
173.09630	1.7
173.13283	0.9
175.09679	6.2
175.11084	1.3
177.11412	3.9
177.12669	1.3
183.04155	9.9
184.07397	1.6
189.12817	0.8
191.10649	3.7
193.12283	1.8
197.05724	34.5
207.13889	1.1
209.11736	2.8
211.13277	2.6
219.12381	1.1
221.13821	1.2
224.48242	0.8
227.06802	4.6
235.13246	1.2
237.14778	1.1
241.08363	8.7
247.20569	23.4
248.20963	1.3
255.15956	2.6
259.09473	1.7
261.22021	0.9
271.09360	4.8
273.22144	4.1
285.11011	4.8
289.21515	1.3
289.25269	1.8
291.23141	31.1
292.23578	1.2
299.18765	0.9
303.12027	1.4
315.11923	3.2
317.24817	1.8
329.13644	1.2
335.25745	5.3
347.14499	1.8
359.14667	0.9
362.48010	0.8
391.16965	1.5
435.19830	1.2
469.35056	0.8
643.30969	0.9
688.81024	0.9
769.44781	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
55.05507	13.2
57.03436	14.5
57.07065	2.3
59.04995	7.7
61.02913	3.0
67.05499	84.2
69.03431	2.8
69.07066	13.7
69.86754	5.7
69.87106	3.8
71.04983	4.8
73.02900	4.8
73.06510	2.7
79.05482	39.5
81.03416	8.3
81.07052	46.7
83.04993	3.1
83.08612	8.6
85.02882	7.5
85.06542	3.6
87.04453	9.5
89.06030	13.2
91.05472	26.0
93.07037	36.8
95.04957	10.1
95.08599	31.2
95.36325	2.4
97.02837	2.6
97.06499	2.7
103.05440	3.3
103.07594	2.8
105.07021	100.0
106.07359	8.6
107.04939	6.6
107.08609	18.9
109.06514	5.6
109.10151	55.3
111.08067	4.0
111.22764	2.5
117.01853	4.5
117.06997	9.9
117.09076	2.5
119.08582	12.8
121.06490	9.9
121.10133	15.0
123.11681	2.6
125.00013	2.6
125.09609	2.9
129.06995	3.1
131.08562	12.0
133.08592	7.9
133.10152	9.8
134.88251	2.3
135.11664	8.2
137.09593	3.9
139.01553	4.5
143.08519	2.2
145.10114	10.2
147.11667	7.2
149.09686	3.1
149.13234	6.1
158.36127	2.4
159.11710	7.1
161.09694	2.3
161.13261	4.0
163.07748	2.1
163.14836	2.8
173.11809	12.5
173.13152	4.5
177.12706	3.3
184.07338	4.3
187.11299	3.6
221.13785	2.6
223.13277	7.6
227.12810	5.4
229.14316	57.4
231.47348	2.4
243.21106	6.1
251.14188	3.1
261.22144	13.8
279.15918	2.8
297.16928	20.0
333.24084	2.6
335.25806	64.1
342.91772	2.2
350.32730	2.4
382.33798	2.6
434.08060	2.2
489.35617	29.0
557.37952	9.1
648.67572	3.0
655.51678	2.4
698.32568	2.9
786.44879	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	787.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03420	1.0
61.02912	0.9
68.99801	1.5
69.03058	0.5
69.03422	7.1
70.06589	0.5
70.94064	0.3
71.01346	0.5
71.04979	0.9
72.08147	0.3
73.02905	0.9
78.97098	0.2
79.05466	0.3
81.03412	8.4
81.03898	0.4
83.04955	0.3
84.04479	0.4
85.02899	8.8
85.03413	0.5
86.02753	0.3
86.09695	0.3
87.00821	2.3
88.20953	0.3
89.79060	0.3
91.80894	0.3
95.04942	0.3
95.70716	0.3
97.02882	5.0
99.04469	1.6
101.02347	0.8
103.03922	0.9
105.01842	1.7
109.02872	7.6
111.00765	0.6
111.04411	0.5
115.03890	0.3
117.01910	0.3
119.03418	0.6
125.02290	0.2
127.03909	7.8
129.01813	0.9
135.04405	4.5
137.05956	1.1
139.03877	0.4
142.15019	0.2
142.32404	0.2
143.03380	0.9
145.02766	0.6
145.04886	1.7
147.04388	0.7
149.02382	0.6
151.03860	0.3
153.01776	0.5
159.02882	0.9
159.04234	0.3
163.03900	4.5
169.04915	0.6
169.42818	0.3
171.04382	0.3
173.02359	1.0
175.03874	1.0
175.07616	0.4
177.01816	0.3
177.05414	0.3
183.04442	0.3
187.04396	0.4
187.06007	3.3
187.07504	0.5
191.03363	6.1
197.02286	0.4
197.06001	0.3
199.03897	1.2
201.01820	1.0
201.05408	0.6
205.05132	0.3
205.07050	1.1
211.03784	0.4
213.03711	0.3
213.05434	1.1
215.03319	1.4
217.04984	1.6
219.02864	100.0
219.09821	1.3
220.03175	2.0
229.04961	5.5
229.07162	0.5
231.02890	0.6
231.04951	0.6
233.04373	0.7
235.05939	0.3
237.05545	0.5
239.03345	0.4
241.04964	0.3
243.02914	4.2
243.06491	0.4
245.04448	3.2
247.02211	0.3
251.06982	0.4
253.04944	1.6
257.04391	4.8
259.06067	0.5
261.03888	1.8
265.04984	0.5
269.04285	0.3
271.02454	1.4
271.05997	1.4
273.06067	0.4
281.04434	2.0
282.05069	0.6
283.05942	1.7
285.03943	4.0
287.05399	0.7
289.03375	4.3
295.05997	0.4
297.03925	0.4
297.07410	0.8
299.05624	1.4
303.04907	3.3
305.22882	0.3
307.06152	0.4
309.03882	0.7
313.03445	3.6
317.06494	1.4
323.05371	0.6
325.06979	1.2
327.04926	1.8
331.07886	0.7
334.06491	0.4
335.07520	1.6
341.06769	0.3
343.08209	0.6
345.05984	0.9
351.04895	0.3
359.07446	0.6
367.07748	0.3
385.09048	0.7
405.07977	0.4
423.09195	11.1
424.09619	0.3
428.06366	0.3
429.08157	2.5
458.18842	0.3
465.10150	0.4
467.08258	0.8
497.12857	0.6
507.11334	1.1
515.08307	0.6
533.08704	0.7
539.13562	0.4
551.10217	2.3
565.11646	0.9
575.90094	0.3
583.12903	8.2
584.12854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
57.03431	0.5
65.03937	0.6
68.99788	0.2
69.03428	1.6
70.06570	0.3
70.90067	0.4
71.04981	2.4
72.05331	0.3
73.02915	0.3
77.03906	1.3
78.04725	0.2
79.05483	0.4
81.03412	3.7
83.04980	0.3
85.02898	3.7
89.03900	2.1
91.05471	8.6
93.07021	1.2
94.04176	0.5
95.04957	1.7
97.02881	1.2
99.00836	0.2
99.04446	0.4
99.26732	0.2
101.58526	0.2
103.05457	3.9
104.05794	0.7
105.03395	2.0
105.04499	0.6
107.04949	0.8
109.02840	1.0
109.06570	0.3
111.04430	0.4
112.01588	0.8
117.03377	1.7
118.04176	0.3
119.04932	8.2
121.02864	0.6
121.06493	2.1
122.03647	1.3
125.05982	0.2
127.00271	0.4
127.03909	0.8
129.05466	0.7
131.04915	14.5
132.05247	3.1
133.02837	48.5
134.03214	0.7
135.04396	2.1
137.05959	8.4
140.01053	1.1
145.02861	1.0
145.06433	0.2
147.04391	4.8
147.06436	0.3
149.05963	13.7
150.06752	5.0
151.03882	2.9
151.05011	0.3
151.07486	0.3
152.04231	0.6
157.03966	0.9
158.03595	0.5
161.02397	0.2
161.05948	2.1
162.03073	0.6
165.05461	5.3
168.00517	6.1
168.01880	0.4
169.01321	0.4
169.04988	0.3
173.05981	0.6
175.03886	17.5
176.04268	0.4
176.06133	0.4
177.05461	2.4
177.06981	1.1
183.01218	0.4
183.02867	7.3
186.01578	4.9
186.03188	0.4
189.07138	0.3
189.08961	0.2
190.07739	0.3
191.08563	0.4
194.07254	0.6
201.05441	5.7
204.05743	0.4
205.06451	2.4
219.08156	0.5
221.05968	0.9
222.06789	1.1
233.05954	4.7
234.06516	0.3
235.07550	0.2
237.09088	0.8
247.07538	1.0
249.05444	2.6
250.06140	1.6
258.05185	1.8
261.05460	2.4
261.08221	0.3
262.06097	0.2
264.07764	0.6
265.08600	1.9
268.03595	0.9
269.04370	0.4
270.05249	0.2
271.05917	1.1
275.06946	0.5
277.05011	0.8
278.05652	0.4
279.10022	0.3
281.08075	0.2
285.03949	1.3
285.06873	0.2
286.04678	24.2
287.05203	0.8
292.07230	1.9
293.07980	2.9
293.10345	2.0
294.10571	1.8
300.06384	0.3
301.07025	100.0
302.07346	3.4
307.09460	1.3
310.08429	0.2
313.09109	0.3
325.10657	27.5
326.11096	0.8
339.98651	0.2
344.02060	0.2
354.48615	0.2
358.00150	0.3
359.04434	0.8
367.85181	0.2
469.14899	4.5
470.15543	0.3
487.15912	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	787.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
61.26880	0.4
67.05476	1.5
69.07037	1.0
69.51799	0.5
70.04073	0.6
72.54880	0.4
73.02916	0.7
79.05471	1.3
81.07051	3.2
83.08595	0.9
91.05445	0.8
93.07014	1.9
95.08597	5.2
105.04483	0.6
105.07022	1.1
107.08581	2.2
109.10139	2.1
119.08556	1.3
121.10152	2.7
123.11696	1.4
131.08566	0.7
133.10094	0.8
135.11662	1.7
137.13257	1.6
145.10121	1.0
147.11673	1.2
149.13269	1.0
155.03152	3.0
159.11710	0.6
163.00000	1.9
163.14825	0.6
166.31607	0.5
173.04207	72.4
174.04559	0.5
181.01065	2.4
189.16354	1.8
191.53142	0.4
199.02139	10.3
201.16414	2.0
205.19563	0.9
214.06906	0.7
215.17947	1.7
217.03157	6.1
269.94690	0.4
271.58884	0.5
303.06522	0.6
309.15500	0.5
331.06323	76.5
332.06677	1.5
349.03394	0.5
349.07233	3.2
376.82260	0.5
787.42303	100.0
788.42737	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	788.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05507	0.4
57.03434	1.9
59.05000	0.3
60.26105	0.2
61.02930	0.9
63.02370	0.2
63.74389	0.2
67.05509	0.3
69.03430	3.5
69.34366	1.0
71.01361	0.9
71.04630	0.3
71.04993	3.7
73.02914	6.5
73.18066	0.2
74.93539	0.2
80.35331	0.2
81.03422	0.9
83.04971	2.4
85.02903	6.7
87.04469	0.4
89.03915	2.2
91.05460	0.3
95.04948	0.2
97.02894	4.9
99.04439	0.4
109.02911	0.4
110.09666	0.3
111.04443	1.6
113.06008	0.2
115.03931	1.9
117.03373	7.5
127.03919	0.7
129.05482	2.3
133.04927	0.7
134.03572	0.4
135.04398	0.6
137.05974	0.5
139.03905	0.4
145.02844	32.0
146.03210	0.4
147.06503	1.6
149.05977	2.9
149.72363	0.2
149.96019	0.2
151.03944	0.2
151.59467	0.2
159.37004	0.2
162.03090	0.3
163.03906	0.7
165.05505	0.2
169.04984	0.5
173.65251	0.2
177.05466	100.0
178.05806	2.7
181.72211	0.2
186.05388	0.2
195.06519	2.0
211.19164	0.2
213.26764	0.2
243.08734	0.3
247.09898	0.2
261.09787	0.3
287.09515	0.3
291.08679	0.2
309.09579	0.8
321.09705	0.7
323.11200	0.6
328.91031	0.2
339.10742	23.7
340.11032	1.0
432.58154	0.2
447.64166	0.2
479.41104	0.2
514.44226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05503	0.4
56.58485	0.2
57.03433	1.6
59.04989	0.2
61.02910	1.0
63.02364	0.4
65.19476	0.2
69.03067	0.2
69.03424	3.1
70.06581	0.6
70.69018	0.2
71.01339	0.7
71.04991	3.6
71.74467	0.2
73.02911	6.9
75.04465	0.4
77.46576	0.2
79.05476	0.5
81.03415	0.9
83.04979	2.4
84.08124	0.3
85.02895	8.0
87.04466	2.6
89.03902	2.4
89.06039	1.5
91.05450	0.4
93.07003	0.2
95.04942	0.5
97.02891	5.5
99.04448	0.9
103.03954	0.3
107.04954	0.9
109.02837	0.3
111.04430	1.9
115.03909	2.5
117.03362	3.0
119.04900	0.4
121.02895	0.2
123.04366	0.2
127.03909	0.6
129.05461	2.0
133.04936	1.0
133.08603	0.7
134.08923	0.6
135.04405	8.2
137.05986	0.4
139.01527	0.8
139.03879	0.5
145.01683	0.4
145.02838	7.8
147.04417	0.5
147.06541	1.3
149.06038	0.3
151.03923	0.3
151.07526	0.5
157.52560	0.2
163.03888	100.0
164.04237	1.9
169.04832	0.2
177.05464	1.3
177.11232	0.3
179.07002	0.3
181.04916	2.3
181.08449	0.3
193.08546	0.5
207.06573	0.6
225.07559	0.7
243.08675	0.4
247.09846	0.3
259.09711	0.3
277.10681	0.3
295.08072	0.5
307.08273	0.5
309.09561	0.6
325.09152	20.1
326.09436	0.6
457.13705	0.3
643.69708	0.2
694.93652	0.3
789.44678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05503	0.3
55.24279	0.2
57.03435	1.5
61.02909	0.6
62.83912	0.1
63.02362	0.3
69.03429	2.8
69.29041	0.6
69.29440	0.4
71.01347	0.4
71.04994	2.8
73.02913	6.1
79.05486	0.5
81.03413	2.2
83.04978	2.3
85.02402	0.4
85.02901	5.5
87.04456	0.3
88.12785	0.2
89.03911	3.0
91.05451	0.3
94.97194	0.2
95.04983	0.4
97.02888	2.5
99.04458	0.2
100.22799	0.2
103.03962	0.3
107.04939	0.9
109.02873	1.5
110.71196	0.2
111.04448	1.3
113.02304	0.3
115.03925	1.7
117.03379	4.1
119.04923	0.4
127.03910	0.7
129.05476	1.2
131.13718	0.2
133.04965	0.6
135.04408	9.1
136.04718	0.2
139.03908	0.2
143.44437	0.2
145.02841	10.0
147.04390	0.2
147.06532	0.8
149.05893	0.3
151.07509	0.7
163.03896	100.0
164.04257	1.8
165.09105	0.2
171.08002	0.2
175.03697	0.2
177.03943	0.2
177.05476	4.5
179.07024	0.4
181.04947	4.9
181.06345	0.2
181.08485	0.3
193.08604	0.4
205.08533	0.2
207.06491	0.3
223.05943	0.4
225.07585	0.7
226.88905	0.2
235.09808	0.2
243.08780	0.3
247.09644	0.2
259.09625	0.6
265.07037	0.3
277.07361	0.3
277.10706	1.5
289.07004	0.5
291.08499	0.2
295.08112	0.8
295.11441	0.3
307.08124	2.7
309.09695	0.7
325.09167	8.8
326.09445	0.3
339.10739	0.4
378.29318	0.2
380.97369	0.2
395.69302	0.2
421.11401	0.2
457.14740	0.7
471.14813	0.3
737.41827	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	788.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
55.05520	3.8
57.03434	14.2
59.04997	2.3
61.02922	6.9
65.03925	1.0
67.05492	1.3
69.03425	32.5
71.01339	4.1
71.04990	42.4
71.20135	0.6
71.40263	0.6
73.02914	35.7
75.04470	7.1
79.05486	0.7
81.03410	5.7
83.04979	25.0
85.02899	100.0
86.03212	0.8
87.04467	3.7
91.03935	1.0
91.05478	12.2
93.07055	1.5
95.04982	3.9
96.21938	0.7
97.02887	30.1
99.04453	3.5
101.06010	0.8
103.03926	2.9
105.07050	2.0
109.02884	2.3
109.06576	1.5
109.07362	0.6
111.04432	21.2
113.02373	1.5
113.05981	2.0
115.03111	1.4
115.03925	23.0
119.04932	8.5
121.06505	3.1
123.04428	1.4
127.03909	8.6
129.05473	39.8
131.04887	1.3
132.00655	0.6
133.04958	10.9
133.06488	1.4
135.07883	0.7
136.05164	0.9
137.05928	3.4
139.03883	4.4
141.05563	0.9
143.04965	0.7
145.04942	6.5
147.06508	26.2
149.04456	1.3
149.05994	1.7
151.03954	1.7
151.07529	74.6
152.07883	0.7
153.05469	1.1
155.31319	0.7
157.04999	1.3
159.92822	0.6
161.04675	0.6
161.05959	1.8
163.06026	3.3
163.07550	3.9
165.05487	1.6
165.07622	2.3
165.09117	7.5
169.05008	2.4
169.08598	19.6
169.10004	1.2
171.06589	3.3
174.06639	0.7
175.07574	2.1
179.07060	3.6
181.08583	10.3
183.06584	0.7
187.06030	1.5
187.07584	1.2
189.09090	1.3
193.08611	15.1
195.06493	1.0
199.05956	0.9
201.07568	0.7
203.06996	1.4
205.08565	1.6
207.06450	0.9
213.07512	1.4
217.06871	1.2
217.08727	1.1
219.10161	1.7
223.05891	1.2
225.07576	12.4
231.08577	1.3
232.68773	0.6
233.11632	0.6
235.09639	4.0
237.07558	0.8
241.07118	1.3
243.08607	12.2
247.09709	3.0
255.08688	2.4
259.08163	2.7
261.09146	1.2
261.11667	8.0
262.11536	0.9
265.08255	0.9
265.10641	4.8
273.09686	5.7
277.10754	4.9
279.04285	0.8
279.10443	23.4
295.12189	3.4
309.11771	11.5
315.14215	1.1
325.11172	0.7
331.14047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
55.05513	3.7
57.03179	1.0
57.03435	12.9
59.04985	1.7
61.02927	7.8
67.05502	1.6
69.03065	1.3
69.03427	23.4
71.01354	3.0
71.04989	35.1
71.43227	0.6
73.02914	38.0
75.04477	6.9
79.05503	0.9
81.03411	5.0
83.04475	0.9
83.04977	22.8
85.02900	100.0
86.03209	0.8
87.04445	3.5
91.03950	3.7
91.05476	7.5
93.07059	1.0
95.04981	3.3
97.02258	1.4
97.02888	27.6
97.06522	0.7
99.04457	2.8
101.06021	1.2
103.03960	3.8
105.07018	1.2
109.02875	3.4
111.04441	17.6
113.02328	0.8
113.06039	0.9
115.03931	20.5
119.04949	7.8
121.06496	2.6
123.10759	0.6
126.39780	0.8
127.03899	8.2
129.05473	34.3
131.04906	1.5
133.04955	9.0
133.06482	1.4
137.05969	1.4
139.03008	0.7
139.03883	3.9
141.05530	0.7
145.04953	8.2
147.05342	1.5
147.06506	25.6
149.04482	1.0
151.03909	1.3
151.07533	62.7
152.07857	0.8
153.05441	1.4
157.05013	1.7
161.05940	0.8
163.06041	8.7
163.07542	2.4
165.05478	0.8
165.07623	1.9
165.09113	4.3
169.04955	2.3
169.08591	24.0
171.06586	1.9
175.06143	0.8
175.07558	1.8
177.05444	0.7
179.07047	2.4
181.04939	0.8
181.08601	6.6
183.06564	1.3
189.09129	1.6
192.29247	0.8
193.08588	10.1
195.06564	1.2
199.06100	1.6
205.08589	0.9
213.07613	1.0
217.08705	0.9
219.10190	1.4
225.07547	9.9
235.09662	2.3
237.07500	0.9
241.06940	1.3
243.08644	9.3
247.09674	1.4
255.08588	2.2
259.08163	2.2
261.09601	3.1
261.11542	2.7
265.10635	3.5
273.09671	5.4
277.10788	8.5
279.10471	16.5
295.11539	2.3
309.11758	12.4
313.13235	0.8
325.11441	1.7
331.13858	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	789.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
65.03923	1.0
67.05500	0.7
69.03439	1.6
69.09502	1.5
77.00790	0.2
80.28535	0.2
81.03411	1.9
85.02895	0.5
91.05483	0.4
92.75000	0.2
93.03398	0.3
95.04962	0.8
97.02902	0.7
98.22393	0.2
99.04445	0.2
108.02108	1.0
109.02888	0.9
110.03699	0.2
111.04439	1.1
118.04173	1.5
119.04964	0.5
121.02837	0.4
121.32916	0.2
125.05984	0.7
127.03906	0.8
136.01543	0.8
139.00320	0.2
141.05464	0.8
147.04434	0.2
151.03903	49.4
151.04973	3.5
152.01057	0.8
152.04257	0.9
153.01819	0.9
154.02574	0.6
169.01173	0.2
169.04951	1.5
170.02148	0.3
181.01379	0.5
182.02132	1.0
197.04471	2.1
197.06052	0.3
198.01630	0.8
226.06235	0.3
236.04575	0.3
253.04884	1.2
254.05731	4.3
255.06149	0.3
258.26086	0.2
264.04300	0.2
269.04532	0.8
270.05176	0.6
271.06003	10.6
272.06253	0.4
281.04507	0.9
282.05228	5.7
282.08313	0.3
283.05920	2.3
285.04007	0.6
286.04614	0.7
295.08148	2.6
299.02075	0.4
299.05487	8.9
300.06271	13.6
301.06714	0.6
313.09167	2.4
315.08603	100.0
316.08908	3.7
466.06924	0.2
544.37708	0.2
639.00452	0.2
789.33569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03441	0.2
65.03931	0.7
67.05501	0.4
69.03419	0.8
69.84498	0.1
69.84836	0.3
71.04988	0.1
73.02917	0.1
77.03945	0.1
81.03408	1.6
81.03888	0.1
85.02901	1.3
91.05487	0.1
93.03389	0.6
95.04961	0.3
97.02875	0.7
99.04436	0.2
108.02084	0.6
109.02883	0.6
111.04440	0.6
118.04149	1.0
120.05701	0.1
121.02888	0.4
125.05976	0.4
127.03910	0.5
131.04875	0.2
132.23111	0.1
136.01561	0.7
141.05446	0.6
145.04999	0.2
150.51865	0.1
151.03903	21.6
151.05002	2.1
152.01059	0.5
152.04234	0.5
153.01823	0.4
154.02585	0.5
165.01804	0.2
166.99797	0.1
169.04961	1.5
170.02051	0.2
181.01299	0.4
181.39320	0.1
182.02171	0.6
182.31198	0.1
197.04468	1.5
198.01593	0.4
200.03159	0.1
200.26106	0.1
207.03015	0.1
226.06090	0.2
236.04971	0.1
253.05006	0.9
254.05707	3.2
255.06331	0.2
269.04425	0.8
270.05112	0.6
271.05991	7.6
272.06369	0.2
281.04395	0.8
282.05212	4.0
283.05966	1.6
284.06381	0.2
285.03906	0.3
286.04709	0.4
295.08160	1.4
299.05481	7.1
300.06256	11.3
301.06610	0.4
313.09076	0.6
315.08585	100.0
316.08939	3.4
325.06940	0.2
406.12491	0.2
439.01495	0.1
477.13898	9.1
478.14114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.6
61.02924	0.3
66.04721	0.5
68.21716	0.2
69.03436	1.8
70.70732	0.3
71.04990	0.4
73.02907	0.7
73.50563	0.2
79.05496	2.0
81.03423	2.1
81.07042	0.6
83.04985	0.3
85.02911	2.8
87.04470	0.2
89.03895	0.4
91.05470	0.7
91.09112	0.2
94.04182	1.0
95.04970	1.1
97.02878	1.2
99.04423	0.6
102.41273	0.2
105.03447	0.3
105.04472	0.5
108.05792	0.3
109.02870	0.9
109.06514	0.7
112.01553	0.3
117.03343	0.4
119.04935	0.4
121.02854	0.6
122.03630	1.7
124.05201	0.7
127.00318	0.2
127.03928	0.4
135.04398	1.0
136.04706	0.3
137.05983	0.9
139.07530	2.1
140.01035	0.6
145.02863	1.1
145.04991	0.2
151.03915	1.6
155.07013	2.0
163.03903	9.7
164.04277	2.5
165.05472	36.7
165.06563	1.6
166.05798	0.7
168.00551	3.3
169.01288	0.8
177.05479	1.3
181.04951	0.6
183.02908	5.5
183.06480	1.8
186.01608	2.1
258.05258	1.1
268.03708	0.5
269.04465	0.4
275.06015	0.3
279.43790	0.3
285.03937	0.7
285.07477	0.3
286.04712	17.5
287.05063	0.8
300.06241	0.4
301.07059	100.0
302.07385	3.5
303.05023	1.7
309.09750	2.1
311.05719	0.5
315.08698	1.6
325.09189	1.4
326.09433	0.8
327.10815	1.3
328.78067	0.3
359.15024	0.3
360.15457	0.4
463.12360	9.8
663.29358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
63.02392	0.8
65.03939	4.7
67.05479	1.1
69.03416	2.5
69.07049	1.1
69.56680	3.4
71.04984	0.8
75.84866	0.7
79.05470	2.2
81.03410	1.0
83.01350	0.8
85.02888	1.5
89.03909	1.6
91.05473	67.1
92.05828	1.1
92.45876	0.7
95.04958	2.6
97.02901	1.4
103.03900	1.1
103.05482	3.8
105.03395	1.2
105.04511	0.8
105.07021	39.4
106.00100	0.8
106.07291	1.0
107.04935	2.0
109.02869	1.6
115.05450	11.2
115.81788	0.7
117.07002	11.6
118.04214	1.1
119.04934	49.9
120.05283	0.8
121.02838	3.1
121.06434	0.8
123.04488	1.1
123.33071	0.7
127.03905	1.2
129.03375	1.2
129.06981	1.5
131.04918	3.2
132.02055	2.8
133.02739	0.7
133.06473	9.0
135.04382	1.8
136.05150	0.9
139.03906	1.6
143.04884	1.5
145.02847	1.1
145.06476	16.0
145.10109	1.2
146.03616	1.1
147.04395	41.1
148.04739	1.4
149.02335	2.1
151.03897	3.4
153.05411	0.9
155.04898	0.9
155.06000	3.5
157.03951	5.5
157.06476	2.0
159.04375	3.4
160.05138	0.8
161.05972	9.0
163.03891	4.6
164.04657	2.0
165.05481	1.3
165.06985	0.8
167.06993	2.3
171.04417	2.2
172.15425	0.8
173.02264	1.3
173.05943	5.0
173.09677	0.9
174.03036	0.9
175.03886	65.6
176.04356	2.1
177.05489	1.2
179.06989	4.0
185.05980	0.9
187.03854	1.9
188.04620	0.9
189.05447	11.2
190.06244	0.9
191.03291	1.4
191.06941	1.1
193.08568	2.7
195.08064	1.3
199.03867	0.9
201.05486	1.6
203.08565	1.0
205.04938	2.7
205.08421	1.1
207.06503	100.0
208.06848	1.9
213.05385	2.2
215.10686	1.0
217.04935	22.4
218.05597	1.0
219.06476	10.7
219.08362	0.9
229.04903	2.3
231.06480	6.8
235.05865	5.5
237.07452	1.1
241.05006	1.4
245.08044	1.7
247.05946	1.3
249.07549	57.4
250.08000	1.4
255.06335	0.9
259.09616	1.7
265.08514	1.2
271.05969	2.0
271.09592	3.4
273.07565	2.9
277.08484	2.6
283.09634	4.8
285.07327	0.8
291.08694	2.9
293.07797	0.9
295.09653	7.0
297.07632	1.2
301.10706	4.2
303.05002	1.0
303.08395	0.9
307.09534	2.3
313.10834	1.4
315.08585	5.7
325.07043	1.0
325.10672	17.4
331.09497	1.2
333.09677	1.6
337.10638	5.7
349.10629	6.2
351.10675	2.7
355.11673	1.2
361.10562	3.7
367.11844	5.3
369.11771	5.9
373.10501	2.0
379.11813	4.7
385.12662	1.3
391.11557	2.8
397.12668	1.9
403.13290	1.5
409.12659	2.0
415.13495	2.0
427.13556	2.2
451.13837	0.9
513.15137	1.6
529.16699	0.8
531.16199	1.4
555.16370	2.1
567.16949	1.1
579.16455	1.0
615.18732	1.0
633.19678	1.5
789.31812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	4.6
70.02965	1.9
70.06587	84.5
71.06924	1.2
71.41719	0.9
74.06071	11.1
82.06574	1.5
84.04499	7.9
84.08137	35.4
85.02895	1.0
86.09698	54.9
88.03992	6.9
100.07628	1.6
101.07137	1.3
101.10783	3.2
111.05571	1.9
112.03983	1.2
112.11243	1.0
116.07121	1.6
124.11280	0.9
125.07142	2.0
126.05495	10.9
126.09187	1.6
126.64363	0.8
129.06595	3.7
129.10228	21.5
129.11188	1.2
130.04999	1.2
130.08630	17.4
130.09526	1.0
144.06544	21.3
144.07663	1.1
147.11267	22.0
153.06616	2.8
153.10222	1.5
154.05070	1.2
170.09268	1.2
171.07660	3.1
171.11256	15.1
171.12567	1.1
181.09708	1.5
185.09209	3.8
187.10849	2.0
187.14383	4.0
189.08690	14.2
189.10321	1.0
195.07700	1.4
196.06108	2.7
196.10750	1.0
197.12885	1.3
199.07127	5.9
199.10770	6.1
204.13512	1.2
212.13954	2.2
213.08810	2.5
213.12383	1.0
214.11856	1.9
217.08130	6.2
217.11920	2.0
229.11932	1.6
230.14957	6.3
240.13487	2.1
248.16045	14.7
258.14594	2.1
268.12781	0.7
284.16190	1.9
309.19089	1.0
312.15570	2.1
314.13641	2.1
327.20285	2.6
329.59976	0.8
345.17020	1.8
345.21271	38.0
346.21899	1.1
411.19281	0.9
445.19458	2.3
460.23804	5.1
601.14185	0.8
674.37177	2.5
771.38202	1.2
772.36609	1.5
789.39758	100.0
790.39966	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	790.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
57.03428	1.3
61.02933	1.1
65.03931	5.1
67.05505	1.3
68.99765	1.6
69.03426	10.2
69.27092	2.3
69.27486	1.2
70.06586	1.0
71.04996	0.6
72.08144	0.5
73.02904	1.6
81.03413	16.5
83.04972	0.7
84.04489	0.9
85.02898	19.5
85.03409	1.1
87.00824	5.2
89.04382	0.6
93.03406	6.0
95.04959	0.6
97.02887	11.6
99.04433	3.9
103.03909	2.6
105.01861	7.6
108.04491	4.9
109.02871	15.6
111.04438	18.7
126.05530	0.7
127.03907	19.2
129.01868	0.8
131.80634	0.5
137.02335	100.0
138.02650	1.3
139.03888	47.3
145.04935	8.4
147.02882	1.2
148.85535	0.5
151.03944	1.0
155.03378	47.8
156.03792	0.6
159.02838	3.3
163.03935	4.0
167.03387	53.0
168.03752	0.9
169.05048	0.9
175.03966	0.6
177.05489	1.1
181.04935	3.3
186.53651	0.6
187.06035	4.3
189.03920	7.7
191.03381	2.2
201.05515	1.0
204.08684	1.6
205.04953	2.2
205.07068	2.0
209.04466	8.9
213.03932	1.8
221.04335	0.8
229.04948	2.7
231.04964	6.9
233.04477	1.7
234.44444	0.6
247.05978	1.6
249.06041	2.3
257.04501	3.2
275.05487	4.7
294.59357	0.6
321.05930	1.6
345.05902	0.8
361.05551	1.8
367.06836	1.0
371.83447	0.6
379.06668	1.7
385.07593	5.5
393.06317	0.5
411.06931	0.6
415.08734	1.4
552.03558	0.6
607.64294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	33.1
73.02917	0.9
73.06550	1.2
77.03932	0.6
79.05484	5.9
87.04456	2.3
89.06025	5.3
89.06538	0.5
91.05470	2.7
93.07029	1.0
95.04967	3.3
103.05477	4.1
103.07574	31.0
105.07022	100.0
106.07359	1.9
117.07043	0.4
117.09131	0.7
119.08536	0.6
121.06492	5.4
122.53352	0.4
129.07005	0.9
131.07030	0.7
131.08565	4.4
133.08589	3.8
141.60391	0.3
147.08160	2.3
147.10147	13.9
149.09660	0.7
165.06973	0.4
165.09106	0.8
175.09628	0.4
177.11179	0.9
181.10205	0.3
191.12776	1.4
209.11577	0.4
209.13646	0.4
223.11163	0.9
225.10553	0.2
225.12727	5.6
226.12964	0.4
229.41425	0.3
249.12605	0.4
251.14265	7.4
253.16086	1.5
269.15424	3.3
295.17017	0.5
311.16293	0.4
313.17972	1.3
325.60605	0.4
327.17499	1.4
329.18970	4.8
330.19608	0.4
371.19977	0.4
373.21576	3.0
382.56812	0.4
461.27319	0.8
477.27692	1.5
565.33624	2.0
583.34460	0.4
639.71405	0.4
790.48590	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	0.3
59.04997	28.5
60.05325	0.3
65.03933	0.3
67.05486	0.6
69.27515	1.0
73.02924	0.8
73.06561	1.0
75.00008	0.3
77.03941	0.7
79.05487	6.0
80.05756	0.2
81.03439	0.3
81.07037	0.3
87.04462	2.3
89.06023	5.4
91.05466	2.8
93.07042	0.7
95.04961	3.6
95.25307	0.3
101.03397	0.2
103.05461	5.3
103.07573	26.0
104.07933	0.4
105.04598	1.2
105.07021	100.0
106.07357	3.0
107.08605	0.2
109.47733	0.2
115.05478	0.3
117.07017	0.3
117.09145	0.8
119.04927	0.2
119.08562	0.9
119.68417	0.2
121.06490	4.3
126.97171	0.3
127.01622	0.2
129.07004	0.7
130.78513	0.2
131.07013	0.7
131.08562	4.3
133.08594	3.9
133.10135	0.4
135.07942	0.2
138.97058	0.5
145.06427	0.2
147.08167	2.4
147.10144	12.1
149.09615	0.8
161.11740	0.4
165.06981	0.3
165.09097	0.9
166.07761	0.4
175.09683	0.4
177.11183	1.3
179.08505	0.3
181.10165	0.4
191.10802	0.2
191.12750	1.1
209.11581	0.4
209.13464	0.4
221.13675	0.3
222.01259	0.2
223.11099	0.8
225.12733	4.9
227.02351	0.3
235.13147	0.3
235.15271	0.6
239.14328	0.3
249.12781	0.4
251.14310	7.0
251.16669	0.3
252.14568	0.4
253.16081	1.4
260.66888	0.2
269.15332	2.3
295.16809	0.4
311.16287	0.4
313.18005	1.6
315.92819	0.2
327.17422	1.2
329.15396	0.3
329.18976	4.7
330.19235	0.3
339.19550	0.3
355.20416	0.2
357.20380	0.4
373.21613	2.6
387.89038	0.2
415.22668	0.2
417.24033	0.5
419.24155	0.2
431.24149	0.2
461.26807	0.5
477.27774	1.4
522.62262	0.2
565.33630	1.5
615.09802	0.2
669.39075	0.4
790.48596	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	791.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79910	2.7
71.41620	2.8
74.09022	2.2
79.05495	8.6
81.03424	2.2
85.02931	2.5
89.03895	3.7
91.05468	6.2
93.07048	3.3
93.99236	1.9
95.04983	3.2
97.07229	2.0
103.05445	14.0
105.04509	2.0
105.06342	4.6
105.07027	59.5
115.05467	16.3
118.04130	4.6
121.06499	3.7
131.04913	8.1
133.06487	54.3
134.86319	2.3
137.05946	2.3
143.05994	5.4
145.06462	2.7
149.05995	7.8
150.35637	2.2
151.03822	3.1
161.05971	69.5
163.07483	3.5
167.07086	7.1
169.73386	2.1
173.06023	2.5
176.04434	6.2
177.05447	9.7
180.19316	2.6
184.04985	6.8
191.07034	16.7
193.08644	12.4
200.04294	2.9
205.04674	8.3
209.08170	3.4
214.05939	3.3
215.06784	20.0
231.06389	4.1
231.32755	2.3
262.73648	3.1
287.05377	3.2
291.08347	29.3
301.07138	2.8
351.88013	2.4
395.13159	4.6
437.14172	5.3
459.14764	2.4
462.80731	2.3
481.12845	4.4
483.16711	10.7
495.14154	2.7
507.21860	2.8
539.13824	29.7
543.18188	3.3
687.13513	2.7
687.22546	33.8
731.21448	100.0
732.22241	11.6
747.23236	3.7
791.20898	16.5
791.34357	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	791.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.65219	1.2
57.29753	1.5
57.62683	1.3
69.03416	2.8
69.52048	3.5
69.52436	2.2
79.05502	10.5
79.86103	1.2
81.03415	1.7
85.02877	2.4
89.03896	1.5
91.05476	4.3
95.04957	3.8
97.02858	2.0
98.22799	1.3
103.05466	12.6
105.07027	66.4
107.04975	1.4
109.02863	1.8
115.05453	14.8
118.04159	3.7
119.64503	1.2
121.06516	4.0
131.04948	6.0
133.06490	54.0
134.06839	1.6
137.05991	1.3
143.06042	5.7
145.06419	1.5
147.04398	2.5
148.05176	2.6
149.05946	6.7
151.93805	1.3
161.05974	69.7
163.07523	3.8
167.07048	4.0
176.04539	6.5
177.05493	7.0
181.04916	1.9
184.04904	6.3
185.05775	2.1
191.07028	15.4
192.92477	1.5
193.08618	8.2
200.04486	2.1
205.04756	5.9
205.08623	1.5
207.06392	1.4
208.99954	1.7
209.08047	2.9
214.06029	6.2
215.06795	22.7
215.68759	1.3
227.05391	2.2
231.06386	3.7
232.07021	3.2
233.07822	3.8
271.04211	3.5
286.04700	3.0
287.05255	2.1
291.08405	22.8
301.07043	4.4
320.10107	1.8
395.13235	3.7
417.14499	1.6
437.13968	7.0
481.13116	6.1
483.16257	10.4
495.14423	4.4
507.21494	1.8
539.06018	1.8
539.13770	29.0
543.17981	3.9
645.20850	2.9
651.59064	1.5
687.22491	29.2
688.22394	3.0
705.23584	2.0
731.21503	100.0
732.21387	7.9
735.36780	1.7
747.23639	4.1
791.22296	21.6
791.35645	2.6
792.23181	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	792.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.05261	1.9
55.05511	22.2
57.03181	1.1
57.03438	14.1
57.07064	2.8
57.94484	0.9
61.02909	4.1
62.59801	0.9
65.03937	3.9
67.05502	91.3
68.05818	0.9
69.03419	2.4
69.06707	1.6
69.07065	22.8
70.71132	2.3
71.04980	3.2
73.02924	1.2
79.05490	55.8
81.07054	91.6
82.07356	1.2
82.41386	0.9
83.04995	2.1
83.08620	12.7
85.02894	3.0
85.06531	3.4
87.04398	1.0
91.03976	1.7
91.05475	28.8
93.07041	66.5
94.07343	1.6
95.04965	5.8
95.08604	75.5
97.02892	3.1
97.06516	3.6
97.10162	5.1
99.08099	2.2
105.04523	3.0
105.07024	25.3
107.08588	41.0
109.06487	1.8
109.09417	2.1
109.10154	35.6
111.08083	3.7
111.11720	1.8
114.09925	1.0
117.07030	9.5
119.08578	24.3
121.10143	34.4
123.08081	1.8
123.11702	12.3
125.09623	1.4
127.22868	0.9
129.07022	1.7
131.08546	17.8
131.09448	1.6
133.10114	19.2
135.11693	24.4
137.09563	2.0
137.13249	5.0
139.11115	1.6
143.08527	2.7
145.10126	15.4
147.11667	15.8
149.13245	12.6
151.11244	1.0
151.14853	1.8
157.10144	1.3
159.11688	13.5
161.13254	11.1
163.14798	7.0
171.11702	3.7
173.13239	9.4
175.14871	3.7
177.12723	1.4
183.11646	1.3
185.13295	3.9
187.14830	5.6
189.16331	2.3
199.14819	2.0
201.16283	2.5
202.85695	1.1
213.16388	1.2
233.22713	1.2
240.74782	1.1
241.19467	3.9
243.21080	6.2
259.20621	7.5
261.22125	20.0
263.23682	1.8
294.66824	1.1
307.63449	1.0
317.24731	4.1
330.85361	1.1
333.24307	4.8
335.25784	100.0
336.26038	5.1
337.27231	9.9
521.43298	1.6
539.44983	1.5
595.47290	14.6
613.48407	10.9
702.67859	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
56.62882	0.2
67.05468	0.4
69.07038	0.4
70.06555	0.7
71.43032	0.3
81.03371	0.4
82.06551	0.6
83.04939	0.4
83.08620	2.3
84.08127	0.4
84.08950	0.3
85.28446	0.3
86.03115	0.2
86.06031	0.3
95.04961	0.4
98.05991	0.6
98.09658	0.3
100.07620	1.3
100.11250	11.2
101.11567	0.6
105.07010	0.4
110.06011	0.5
111.04444	1.4
112.07569	0.6
121.02918	0.3
127.08664	0.4
128.07092	1.4
136.06143	0.9
139.08653	0.6
140.07048	0.4
147.04424	0.3
147.11659	0.4
182.15369	4.0
183.15666	0.5
209.16475	3.6
210.14880	4.7
210.16780	0.6
211.15129	0.7
221.45235	0.3
226.19131	1.0
227.17563	0.5
228.15889	0.6
255.06749	0.3
277.04608	0.5
289.04593	0.4
304.07043	0.6
305.07791	3.3
326.28247	0.6
338.03821	0.4
363.08347	4.4
377.09854	0.9
379.11478	100.0
380.11819	5.3
381.12366	0.3
405.09247	0.5
436.10956	0.9
437.12030	58.5
438.12454	3.7
454.34229	0.3
469.20044	0.3
489.39108	0.3
577.59796	0.4
580.34619	0.7
581.35297	0.3
641.87042	0.3
661.49725	0.5
679.51276	3.1
680.51660	1.4
743.41205	0.4
784.59180	0.4
792.59186	0.9
793.09698	1.4
793.59229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
61.02949	0.8
61.66359	0.7
65.03924	2.9
67.05494	1.1
69.03410	1.3
75.04453	1.7
77.03914	0.9
78.04691	1.2
79.05481	2.1
81.03419	1.8
85.02887	4.1
89.03845	0.7
91.05482	7.8
93.03414	6.5
93.07034	3.0
95.04958	5.7
97.02877	1.0
97.06523	1.5
102.19375	0.7
103.05463	14.1
105.03387	0.7
105.04512	1.0
105.07018	2.7
106.04165	12.1
107.04972	3.5
108.02171	0.8
109.02866	0.9
109.06506	0.8
110.86256	0.7
111.04431	1.6
115.05414	1.9
117.03343	1.3
117.07014	2.0
118.04153	2.7
119.04917	2.2
119.50940	0.7
121.06510	15.1
122.03645	3.3
123.04432	2.2
124.03917	1.9
124.05237	1.1
125.05996	6.0
127.03854	1.1
129.06993	1.3
131.04921	21.1
132.05711	0.8
133.02827	1.8
133.06488	3.8
134.03615	1.6
135.04381	1.5
135.08018	1.4
137.05971	45.3
139.07506	1.2
139.90605	0.7
141.05450	1.0
143.04910	0.8
145.02843	1.9
145.06496	3.1
147.04402	1.6
148.05193	6.7
149.05971	23.4
151.03905	48.0
151.04996	3.6
151.07526	2.1
153.05444	1.8
153.09111	6.0
159.04381	1.0
160.05103	1.7
161.05986	2.0
163.03873	2.0
163.07549	13.9
165.05460	1.2
165.09175	0.8
167.07040	8.6
173.05998	2.2
175.07585	3.7
176.04741	1.0
177.05469	17.2
177.09006	0.7
178.06171	1.0
179.07036	0.9
181.04947	11.9
181.08574	14.9
182.08928	1.0
187.07556	1.6
191.07013	54.1
192.07387	1.4
193.08607	1.6
195.06526	2.5
203.07031	2.8
205.08632	1.7
207.06398	1.6
209.08075	100.0
210.08478	2.8
213.05545	0.8
219.10170	1.1
221.08092	1.1
233.08057	2.5
235.07634	1.0
235.09706	1.8
237.09064	1.2
257.08133	0.8
263.09146	9.0
265.08630	1.3
293.08212	0.9
327.12228	1.5
329.13864	1.2
337.10602	1.5
339.12582	0.9
355.11807	4.0
359.14737	0.9
369.13324	2.5
387.14349	27.7
387.19431	1.4
388.14395	1.3
579.21533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
61.02949	0.8
61.66359	0.7
65.03924	2.9
67.05494	1.1
69.03410	1.3
75.04453	1.7
77.03914	0.9
78.04691	1.2
79.05481	2.1
81.03419	1.8
85.02887	4.1
89.03845	0.7
91.05482	7.8
93.03414	6.5
93.07034	3.0
95.04958	5.7
97.02877	1.0
97.06523	1.5
102.19375	0.7
103.05463	14.1
105.03387	0.7
105.04512	1.0
105.07018	2.7
106.04165	12.1
107.04972	3.5
108.02171	0.8
109.02866	0.9
109.06506	0.8
110.86256	0.7
111.04431	1.6
115.05414	1.9
117.03343	1.3
117.07014	2.0
118.04153	2.7
119.04917	2.2
119.50940	0.7
121.06510	15.1
122.03645	3.3
123.04432	2.2
124.03917	1.9
124.05237	1.1
125.05996	6.0
127.03854	1.1
129.06993	1.3
131.04921	21.1
132.05711	0.8
133.02827	1.8
133.06488	3.8
134.03615	1.6
135.04381	1.5
135.08018	1.4
137.05971	45.3
139.07506	1.2
139.90605	0.7
141.05450	1.0
143.04910	0.8
145.02843	1.9
145.06496	3.1
147.04402	1.6
148.05193	6.7
149.05971	23.4
151.03905	48.0
151.04996	3.6
151.07526	2.1
153.05444	1.8
153.09111	6.0
159.04381	1.0
160.05103	1.7
161.05986	2.0
163.03873	2.0
163.07549	13.9
165.05460	1.2
165.09175	0.8
167.07040	8.6
173.05998	2.2
175.07585	3.7
176.04741	1.0
177.05469	17.2
177.09006	0.7
178.06171	1.0
179.07036	0.9
181.04947	11.9
181.08574	14.9
182.08928	1.0
187.07556	1.6
191.07013	54.1
192.07387	1.4
193.08607	1.6
195.06526	2.5
203.07031	2.8
205.08632	1.7
207.06398	1.6
209.08075	100.0
210.08478	2.8
213.05545	0.8
219.10170	1.1
221.08092	1.1
233.08057	2.5
235.07634	1.0
235.09706	1.8
237.09064	1.2
257.08133	0.8
263.09146	9.0
265.08630	1.3
293.08212	0.9
327.12228	1.5
329.13864	1.2
337.10602	1.5
339.12582	0.9
355.11807	4.0
359.14737	0.9
369.13324	2.5
387.14349	27.7
387.19431	1.4
388.14395	1.3
579.21533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
57.06818	1.7
57.07075	18.8
59.04999	1.5
61.02946	1.5
65.40290	1.3
67.05498	3.4
68.99781	1.4
69.03427	10.5
69.07064	2.3
71.08627	34.2
73.02918	4.7
73.06538	2.3
79.05480	3.1
81.03407	13.4
81.07044	2.5
85.02910	18.5
85.10177	21.7
87.00826	10.4
87.04459	21.8
89.06028	100.0
91.05479	13.2
93.07034	13.8
95.04956	6.3
95.08594	2.1
97.02888	4.9
99.04452	4.3
103.05476	4.2
105.01865	4.6
105.04522	2.9
105.07022	21.8
107.04219	1.4
107.04941	4.3
107.07041	3.3
107.08584	3.8
109.02880	9.2
117.01812	2.1
117.07016	1.9
119.04926	2.7
119.08558	3.9
121.06499	49.3
123.08044	1.4
127.03922	10.2
127.14798	1.4
129.41046	1.3
131.07014	3.5
131.08585	3.1
133.08600	71.9
135.08041	6.6
143.70563	1.5
145.04939	2.1
145.10106	2.4
147.08032	13.1
149.09579	7.6
159.02866	3.9
161.09662	1.7
163.11179	2.5
164.07074	2.0
165.09122	16.5
167.10677	2.5
175.09615	2.9
177.11217	31.6
177.12752	2.5
180.52789	1.4
184.07352	2.1
191.10687	2.0
209.11723	15.2
211.13362	4.5
221.13824	6.3
225.12752	2.3
235.13145	2.0
247.20558	14.6
253.14441	2.2
271.15329	1.9
273.22290	2.2
289.25244	2.2
291.23157	29.1
315.17975	5.2
317.24716	1.7
335.25769	14.0
359.20605	2.6
403.23239	43.3
529.37280	65.7
530.37799	3.7
577.55280	1.7
794.44977	10.3
795.43323	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	794.577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02550	3.2
57.03430	11.7
57.07060	4.8
67.05499	60.7
69.07060	28.2
70.68914	4.8
71.04974	4.3
71.06935	3.4
79.05484	34.2
81.07050	72.6
83.08614	14.7
85.02893	4.0
91.05482	20.9
93.07042	28.8
95.08598	60.1
95.15115	3.1
97.06511	4.4
97.10154	7.2
105.07030	13.9
107.08593	21.1
109.10146	26.5
117.07037	4.3
119.08578	15.9
121.10107	18.5
123.11703	6.6
133.10065	16.6
135.11688	15.9
137.13275	5.3
145.10101	8.2
147.11636	5.9
149.13269	13.1
159.11661	5.7
161.13257	11.0
163.11224	3.8
163.14804	9.8
168.10056	3.5
173.13199	4.1
177.16374	4.9
187.14871	5.0
205.19127	3.3
243.21149	9.7
245.22653	4.5
261.22092	24.3
263.23749	8.3
317.24734	5.6
333.23956	3.6
335.25775	95.6
336.26129	8.3
337.27310	100.0
339.28772	7.0
523.44995	7.1
597.48602	28.4
615.49237	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	795.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13304	0.4
69.68182	0.4
69.68507	1.7
81.06980	0.5
85.02910	0.4
98.23442	0.8
103.05446	0.7
106.00303	0.9
131.04901	1.9
149.99254	0.6
188.97964	1.4
189.98734	1.2
210.06441	2.0
230.99089	0.8
237.05249	0.6
254.05589	3.4
255.06279	3.2
273.00040	2.0
291.01227	1.0
291.06204	0.7
293.04172	9.6
294.04944	31.2
295.05331	1.5
298.98001	0.5
307.06046	0.6
312.06009	0.4
317.04425	0.5
347.18448	2.0
357.04297	0.4
359.05267	0.6
377.06256	3.5
403.04187	7.4
404.04468	0.5
421.05255	8.9
439.06296	0.8
463.11768	0.7
481.12512	1.5
507.10547	7.5
525.11530	100.0
526.11810	7.6
527.12195	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	796.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57322	0.6
64.68182	0.6
67.01848	0.8
68.01379	8.1
68.99428	1.0
68.99784	11.9
70.02940	1.1
70.38333	1.3
84.92278	0.7
91.05498	1.1
94.29105	0.5
96.02055	0.6
96.47487	0.6
98.02393	0.8
103.05450	11.1
105.03394	1.1
105.07013	1.9
110.02398	6.9
111.00775	1.1
111.03169	1.1
124.01567	1.1
131.04909	26.4
132.05197	0.7
138.01849	46.2
139.00270	0.9
140.03369	0.7
150.01816	1.1
152.00920	0.8
152.03400	1.8
153.01831	4.1
155.04916	0.7
156.02893	2.9
163.99767	2.7
164.03441	1.0
165.01819	0.8
166.01344	64.0
166.99852	1.2
167.02129	18.0
168.02907	2.9
169.06432	0.8
170.02116	1.4
175.02611	1.2
178.01288	5.7
178.02509	0.8
178.99744	13.6
179.02184	0.9
179.03374	17.9
180.02887	14.6
182.00819	32.2
184.00720	0.8
184.02388	14.1
185.00790	8.1
185.03186	6.6
185.24646	0.7
191.99261	13.0
192.02892	1.1
194.00887	1.1
197.00801	26.2
197.05894	1.2
198.03983	0.9
200.01884	1.9
206.04486	0.8
210.00325	18.7
210.06747	1.1
212.01891	1.7
213.05638	1.0
214.08615	1.7
218.00818	1.4
219.01666	2.5
220.02435	1.0
225.05449	26.2
228.01358	2.7
232.02528	1.0
238.06198	6.3
239.06732	0.7
240.06760	0.9
241.04962	2.2
242.00752	1.1
242.08087	17.7
243.01573	1.2
244.02264	0.7
246.00188	3.0
253.04875	1.1
255.06499	22.8
256.07300	8.5
257.08057	9.2
258.00235	0.8
260.01837	0.8
261.02777	1.6
264.01367	0.9
264.06821	0.6
268.05908	0.8
269.06747	1.1
270.07581	100.0
271.01166	1.5
271.05600	5.2
271.08459	10.3
273.99771	1.5
282.07584	6.2
282.98700	1.2
283.05972	26.7
283.99454	1.0
284.06274	1.3
284.09174	4.2
288.01334	0.9
289.02182	2.3
292.00809	2.9
293.01630	2.7
296.05493	17.1
297.05756	0.8
297.99835	5.8
299.00507	1.7
300.99731	1.6
302.03201	1.2
304.00916	1.3
309.99777	5.6
314.06467	2.4
316.00845	7.1
317.01654	3.6
321.99960	0.8
324.01355	1.1
328.00830	2.5
334.01950	7.6
352.00998	1.0
375.07416	1.7
378.05896	1.2
390.06082	1.1
392.00189	0.8
397.07880	6.8
397.95050	0.7
402.06137	2.2
403.06696	6.5
414.05988	1.8
419.99765	2.3
420.07062	8.1
421.07803	5.7
436.06152	0.8
447.99146	2.0
466.00443	1.2
506.12332	21.3
507.13116	7.8
510.04572	1.0
522.11658	1.4
524.06146	1.2
524.13403	2.6
525.14142	72.0
526.07867	0.6
526.14642	11.0
552.06079	1.9
552.12823	31.8
553.12653	2.3
570.06311	1.5
656.11761	4.2
674.12604	6.2
675.12671	0.8
742.16895	0.9
760.17963	9.1
761.17621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25211	0.5
64.00517	0.6
67.01873	0.7
68.01383	6.7
68.99778	10.1
69.08109	3.5
70.02937	1.3
74.61230	0.5
77.10474	0.6
83.03696	0.6
86.09702	0.7
91.05479	1.9
92.01360	0.6
94.20181	0.5
95.04942	1.0
98.23431	1.6
103.05457	10.2
105.03403	1.6
105.07021	1.5
110.02413	4.5
111.00797	1.2
111.03202	1.2
117.18038	0.5
124.01550	0.7
129.06921	0.6
131.04916	29.4
138.01851	43.6
139.00201	0.8
139.02556	0.6
141.06961	1.4
150.01949	0.7
152.01067	1.2
152.03406	2.0
153.01822	4.4
156.02910	2.9
163.02640	0.8
163.99770	1.8
164.03383	1.6
166.01349	60.5
166.99820	1.1
167.02132	13.2
168.02924	2.4
169.06442	0.8
170.02141	0.8
171.04398	0.6
178.01306	5.9
178.02608	1.0
178.99765	9.0
179.02142	1.1
179.03395	18.1
180.02887	14.4
180.04445	0.8
182.00827	25.8
183.01300	0.6
183.04411	0.8
184.02414	16.1
185.00800	6.8
185.03169	6.7
187.02704	0.8
191.99274	12.0
192.02989	0.9
197.00792	22.2
197.05902	1.1
198.04015	0.6
200.01878	1.8
206.00780	0.6
210.00304	16.9
210.06749	0.9
212.01894	1.1
214.08659	1.0
215.06976	0.9
218.00848	1.4
219.01590	3.7
220.02406	0.8
224.06978	0.9
225.05440	21.5
228.01410	2.6
232.02382	1.1
233.03200	0.8
237.50035	0.6
238.06212	6.1
240.06505	0.7
241.04866	1.6
242.00870	1.5
242.08116	17.0
243.01559	0.8
246.00333	3.1
248.01910	0.7
252.06512	0.6
253.04837	1.1
254.00783	0.8
255.06514	23.7
256.07297	8.3
257.08102	7.3
258.00354	0.8
260.02048	0.7
261.02612	1.2
268.05981	0.8
270.07590	100.0
271.01248	1.0
271.05432	3.6
271.08398	10.4
273.00195	0.7
273.99786	1.6
276.01437	0.6
282.00229	0.8
282.07568	7.5
283.05969	21.5
284.06357	1.2
284.09164	5.6
285.09579	0.7
288.01398	1.1
289.02136	1.4
292.00735	3.0
293.01529	1.7
296.02271	1.2
296.05511	14.2
297.06085	0.8
297.99792	4.5
299.00412	1.8
300.99716	1.9
301.39606	0.6
302.02985	0.8
304.00870	1.7
309.99777	4.4
314.06555	2.5
316.00827	8.4
317.01633	4.3
324.01248	0.9
328.00967	1.2
333.06241	0.7
334.01944	9.2
335.02383	0.9
337.99219	0.8
352.00656	0.8
375.07153	1.4
387.04712	0.8
390.05896	1.3
392.07419	0.8
397.03290	0.9
397.07922	7.6
402.06088	1.7
403.06714	5.0
414.05902	1.5
419.99600	1.0
420.07043	9.3
421.07852	6.8
422.00638	0.6
436.06747	0.7
447.99384	1.8
448.06400	0.7
466.00314	1.4
506.12305	21.1
507.12921	6.5
522.11499	0.8
524.06415	1.1
524.13177	3.5
525.14142	73.3
526.14685	9.2
552.05963	1.8
552.12854	25.0
553.13208	2.4
570.06201	0.8
656.11591	2.9
657.11786	0.8
674.12775	4.8
760.18115	6.7
761.18610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28543	0.4
68.27061	0.4
68.99784	2.4
69.67017	0.8
69.67407	0.7
76.90109	0.3
81.45176	0.4
86.09724	0.4
90.63131	0.3
91.05473	2.9
95.04983	0.5
98.22669	0.4
101.21609	0.3
103.05463	11.0
104.05824	0.5
105.07004	0.5
115.05444	5.6
118.65822	0.4
122.02413	0.6
122.71504	0.4
128.06235	0.8
129.06996	2.1
131.04921	33.9
132.05223	0.7
138.01872	0.8
141.07031	1.2
142.06532	2.6
145.06468	0.7
150.01822	0.8
153.07014	0.5
155.04913	3.1
155.06026	0.7
156.08061	0.5
157.06508	1.9
163.00279	0.5
166.01364	1.2
167.02092	2.0
167.08548	0.4
168.02940	2.7
168.07982	0.8
169.01364	0.6
169.06537	0.6
170.05969	2.0
178.01398	1.4
181.01288	0.6
181.06525	0.6
182.05963	0.9
184.07513	2.9
185.03203	1.0
190.01430	1.5
192.02942	1.9
194.00974	0.5
194.99223	0.6
196.02464	0.5
196.07584	1.3
197.05957	1.2
198.09143	0.8
199.03860	2.1
208.02357	0.7
208.07545	0.8
209.00734	0.5
209.06114	0.4
212.07021	5.9
213.00256	2.2
213.05499	0.7
218.00830	20.8
218.99237	0.5
219.01212	0.6
221.00845	0.7
222.05641	0.5
224.07162	1.1
225.05472	3.8
225.07524	0.5
226.08606	2.6
228.06622	0.4
230.08182	0.7
232.02359	1.1
236.01976	0.7
236.07079	1.1
237.05521	0.5
238.04924	2.7
240.06552	0.9
241.04973	3.5
242.08221	0.5
246.00334	0.9
246.98747	1.8
250.05144	0.4
252.06587	2.1
253.05003	2.4
254.08128	2.8
255.06477	1.6
256.06134	1.1
259.05884	0.5
260.01819	2.4
262.08859	0.5
264.01276	0.8
264.06573	1.6
266.08118	0.9
268.05887	0.7
269.07028	0.4
269.09943	0.4
270.07642	1.2
271.08331	1.1
272.01593	0.4
272.09076	2.7
278.08154	0.8
280.06036	17.6
281.06473	1.0
282.07639	3.8
284.09045	0.7
288.01358	15.2
289.01846	0.4
290.04739	0.6
290.08063	0.5
292.00943	0.8
292.06079	0.9
294.07776	0.5
296.09183	2.2
298.07202	1.8
304.05997	0.7
306.02570	0.8
306.07581	0.7
310.06909	2.0
316.00873	10.2
317.90179	0.4
322.07104	8.4
322.10800	0.6
324.08682	0.8
334.01843	2.6
334.07050	1.2
342.11243	0.4
345.11316	0.9
350.06610	0.7
350.52441	0.5
351.04947	0.4
360.04993	0.9
364.08127	2.0
374.06680	1.3
375.05014	1.3
378.06107	1.1
384.12286	15.9
385.12677	1.2
392.07626	13.8
392.11523	0.3
393.07910	0.7
396.07153	0.6
402.06155	0.6
404.07278	0.4
420.07074	34.1
421.07434	1.7
426.13190	0.8
433.07944	0.7
436.12192	0.5
438.13153	0.9
464.11264	0.5
468.14432	2.4
472.06110	0.7
478.12875	1.3
479.11786	0.7
480.14896	0.4
496.13757	6.5
497.13861	0.6
506.12692	2.0
524.13367	100.0
525.13727	9.2
526.14948	1.8
542.06921	0.6
577.28040	0.4
618.13049	0.6
646.13245	1.1
674.12866	1.3
750.19696	5.8
751.19708	1.0
778.19055	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	798.505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	100.0
69.15322	4.3
71.04987	1.7
73.02914	3.2
73.06554	7.1
87.04464	25.4
88.16843	0.8
89.06027	85.8
89.51977	0.8
98.23428	1.8
99.68165	0.9
103.07577	81.0
104.13401	0.8
107.07061	1.9
113.06017	2.0
115.07589	0.9
117.09126	7.3
121.02870	2.1
125.24322	0.8
131.07036	4.9
133.08597	53.1
134.08949	0.9
147.04399	1.3
147.10155	30.5
153.45700	0.9
161.11771	2.4
167.06981	1.0
175.09663	4.9
177.11198	18.6
190.62466	0.8
191.12788	2.4
196.07033	0.7
213.62292	0.8
219.12155	0.9
221.13821	3.0
225.08888	0.9
309.18954	1.0
358.18063	0.8
405.06183	1.1
781.47821	1.3
798.49585	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	799.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
57.07060	3.8
62.35455	0.9
70.06597	7.0
71.08587	1.0
88.07619	10.1
89.05978	1.2
95.34430	0.8
98.72822	0.9
102.09174	3.1
106.08659	4.9
119.15228	1.0
140.22037	0.9
179.40808	1.1
232.31160	0.8
284.29343	4.7
302.30502	100.0
303.30783	3.3
326.30573	0.9
328.45212	1.0
389.55545	1.0
495.83676	1.1
498.24637	2.0
577.92084	1.0
724.06897	1.4
761.33099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10801	0.8
61.31928	0.9
61.71630	1.0
67.05494	2.0
68.99794	2.5
69.03427	12.2
69.07066	1.9
71.41287	1.2
77.06069	0.9
78.03459	4.1
79.05492	2.5
80.05000	1.9
81.03425	7.9
81.07043	3.6
83.04977	10.7
87.77755	0.9
91.05451	5.1
93.07030	2.6
95.01318	0.8
95.04974	2.8
95.08598	3.7
96.04517	3.2
103.05463	2.7
105.07033	6.7
106.02920	9.1
107.08580	3.3
109.06535	1.9
111.04432	14.3
115.05450	1.0
117.07021	3.2
119.08578	6.5
121.06516	1.6
121.10145	2.3
124.03944	100.0
125.04285	1.5
128.06203	3.3
129.06975	4.1
131.04979	1.9
131.08577	6.0
133.10158	3.0
139.00246	5.4
141.06985	2.5
142.07780	3.1
143.08534	6.1
145.06459	1.0
145.10126	4.7
147.08080	2.2
147.11699	2.1
153.06950	1.0
155.08572	2.7
156.09334	1.6
157.10139	8.2
159.11697	6.5
161.09625	1.5
161.13263	1.4
165.07011	0.9
167.08545	2.4
167.24606	1.0
169.10120	3.9
170.10904	2.5
171.11673	4.3
173.09724	1.4
173.13274	3.4
175.11218	1.0
175.14882	5.1
179.08545	2.1
181.01288	1.1
181.06589	1.1
181.10051	1.5
183.11700	3.4
185.09615	1.4
185.13219	7.6
187.11122	1.0
193.10121	1.6
195.11682	2.9
197.13298	2.7
199.14879	2.3
203.14299	15.0
206.10912	1.2
207.11717	3.0
208.12463	1.0
209.13287	2.4
211.14795	1.9
213.05338	1.1
213.12759	2.2
221.13382	1.0
221.15425	1.7
223.03909	1.5
223.14751	1.5
225.05415	2.1
227.14331	2.7
231.13829	2.3
233.13234	1.8
239.18114	1.2
241.04915	19.8
249.16515	1.2
251.14221	1.5
267.17508	3.6
269.04401	14.2
269.15204	1.2
277.15967	1.8
283.17050	1.0
285.18753	1.0
287.05548	14.2
295.16956	6.5
313.17969	7.5
326.17426	3.1
331.19022	1.2
337.86282	0.9
344.18515	3.4
362.57147	0.9
436.21292	5.5
436.26538	1.2
454.22089	4.6
514.24286	8.7
595.24615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94038	0.6
63.02382	0.6
63.87207	0.6
65.03928	3.1
69.03417	2.7
71.40635	0.6
77.03910	1.0
85.02879	1.3
89.03902	1.7
91.05482	34.0
103.05453	1.5
105.07050	1.1
115.05455	1.4
117.07022	2.2
118.04171	1.0
119.04942	50.9
120.05287	0.7
121.02867	7.8
129.03410	0.8
131.04912	0.9
132.02023	0.9
133.02815	1.3
133.06451	2.0
145.02847	2.3
145.06496	3.6
147.04407	44.0
149.02318	2.1
157.03970	5.0
160.01469	0.7
161.05957	1.6
163.03865	1.0
164.04681	1.1
167.07002	1.4
173.06006	1.9
175.03903	75.6
175.11850	0.7
176.04257	1.2
179.07033	4.1
181.04903	1.0
187.03949	0.7
189.01813	2.3
189.05467	1.9
191.03365	1.7
195.03004	0.6
199.42546	0.7
203.03362	2.0
204.04234	0.7
207.06520	100.0
208.06793	1.5
217.04883	2.2
219.02890	0.9
219.06418	1.3
229.04907	0.9
231.06537	2.0
235.05984	1.1
246.82224	0.7
249.07574	9.9
267.06516	1.9
269.04572	0.7
271.05969	0.8
281.08078	1.5
283.05969	10.6
284.06732	0.8
291.08899	0.9
294.05280	3.2
295.06030	9.0
296.06631	0.8
297.07623	1.5
307.05981	12.6
308.06699	2.4
309.07538	3.8
313.07047	16.6
315.08386	1.1
319.06058	1.8
321.07550	4.7
322.08206	0.8
323.09122	1.4
325.07053	7.2
333.07492	2.8
335.09155	1.1
337.07031	20.3
345.07632	1.0
347.09103	1.4
349.06958	4.3
351.08334	1.0
351.10980	0.9
355.08093	0.8
361.07144	3.6
363.08643	0.9
367.08066	2.8
369.07495	1.0
369.11792	13.0
373.07086	1.0
375.08572	1.6
379.08109	10.6
385.07181	1.4
391.08142	4.6
397.09091	1.7
403.08307	3.6
409.09299	1.2
415.10455	4.0
421.09085	2.3
427.10379	1.3
439.09958	2.7
457.11136	3.1
481.11090	1.9
513.11255	1.1
525.11688	1.0
531.12689	4.5
541.13580	0.8
543.12952	3.6
559.14349	1.2
561.13916	7.7
577.15729	1.0
585.13879	7.8
609.13477	2.3
615.15057	2.4
627.14911	4.7
645.15973	4.2
651.17029	6.3
663.16821	8.5
681.18384	7.3
705.17969	9.0
729.17883	1.5
735.19147	1.2
747.18475	1.8
765.19922	3.7
783.21375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15589	0.4
65.03926	4.1
69.03423	1.1
69.72035	0.5
69.72388	1.4
76.03156	0.7
77.03931	1.0
78.04753	0.4
81.03381	0.5
85.02911	0.9
89.03907	1.5
91.05473	44.5
93.03423	0.5
95.04966	0.8
101.03902	0.7
103.05479	1.9
105.03342	0.5
105.07047	1.0
107.04910	1.2
115.05451	2.6
117.03386	0.5
117.06995	3.9
118.04165	1.2
119.04935	58.4
120.05178	0.6
121.02856	7.0
129.03355	1.2
131.04915	1.2
132.02075	2.2
133.02832	0.6
133.06487	0.9
135.04407	1.7
136.05208	1.0
145.02826	2.4
145.06465	6.2
147.04396	46.2
148.04767	0.6
149.02325	2.1
149.77899	0.4
155.06036	2.2
157.03957	7.5
159.04404	1.1
161.06007	2.2
162.03104	0.7
163.03874	0.9
164.04681	1.6
167.07030	0.9
173.02312	0.6
173.06021	1.9
175.03894	79.2
176.04269	2.1
177.01866	0.5
177.05542	0.5
179.03423	0.7
179.07010	4.7
181.04890	0.5
187.03877	0.6
189.01811	1.2
189.05449	2.1
191.03337	1.9
192.04077	0.5
195.02858	1.2
203.03317	0.6
207.06505	100.0
208.06801	2.0
217.04987	6.6
217.08464	0.7
218.05536	0.5
219.02885	1.5
219.06479	1.3
221.04329	0.6
229.04950	0.5
231.06520	2.4
235.05960	1.2
249.07590	11.0
255.06433	0.8
256.07123	0.6
259.06006	0.5
267.02966	0.5
267.06430	0.7
268.07285	1.1
273.07376	0.6
279.06445	1.1
281.08148	0.7
283.06015	4.8
284.06763	3.3
290.87378	0.5
294.05273	2.5
295.05984	10.6
296.06714	1.5
297.07535	2.2
307.05963	9.1
308.06760	4.0
309.07404	5.9
313.07028	20.8
315.08524	0.7
319.05856	1.2
320.06696	0.7
321.07370	3.8
322.08136	0.9
323.05722	0.6
323.09100	2.3
325.07040	12.7
333.07394	1.0
335.08997	1.2
337.07016	18.9
339.08661	0.9
347.09097	1.7
349.07092	4.0
351.08231	2.5
355.08170	4.2
361.06995	3.0
363.08463	1.0
365.10205	0.9
367.08170	2.5
369.11792	5.3
375.08551	1.2
379.08044	6.1
385.06842	0.6
391.07886	3.8
393.09601	0.7
397.09149	4.2
403.08066	3.7
409.09280	3.2
415.10245	13.4
416.10489	0.7
421.09152	4.7
427.09836	1.3
429.11438	0.8
433.11279	12.8
439.10321	4.6
445.09189	0.5
457.11319	16.5
458.11218	0.7
463.10062	1.1
475.12332	5.1
481.11371	2.1
497.11880	0.6
499.12082	1.9
511.11859	1.9
515.13898	0.5
523.12030	2.0
525.11243	0.7
529.12445	1.0
541.13275	2.4
543.12872	3.9
559.14294	2.6
561.13953	6.0
577.15308	2.8
595.16736	0.7
609.13696	1.0
627.14679	1.0
645.15869	3.0
663.16919	5.1
681.18066	12.7
682.18457	0.9
711.17255	0.5
765.19403	1.0
783.20508	1.0
801.21954	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	802.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.7
59.04991	0.3
61.02918	1.0
63.02368	0.2
69.03428	3.7
69.65480	0.2
69.65816	0.7
71.01366	0.9
71.04992	3.8
73.02915	6.4
73.35835	0.2
75.04475	0.5
81.03411	0.9
83.04985	2.0
85.02900	6.8
87.04466	0.4
89.03912	2.1
91.05478	0.2
92.06712	0.2
95.04968	0.2
97.02887	5.4
98.23447	0.4
99.04455	0.6
99.64836	0.2
100.25645	0.2
103.03891	0.2
107.27239	0.2
109.02856	0.3
111.04424	1.4
115.03926	1.8
117.03371	8.2
121.06545	0.2
127.03883	0.6
129.04597	0.3
129.05452	1.6
131.04926	0.3
133.04950	0.6
134.03610	0.3
135.04425	0.6
137.06009	0.3
139.03908	0.4
145.02840	33.9
146.03186	0.5
147.06493	1.2
147.19693	0.2
149.05965	3.0
149.53546	0.2
150.35100	0.2
151.07494	0.5
163.03897	0.4
165.09006	0.2
177.05458	100.0
178.05832	2.0
179.06996	0.4
181.08434	0.2
186.05501	0.3
193.08574	0.2
195.06511	1.8
207.06654	0.2
225.07655	0.7
243.08717	0.3
261.10120	0.2
277.10675	0.4
279.08487	0.2
287.09009	0.3
309.09741	0.6
321.09674	0.9
323.11270	0.8
339.10727	24.1
340.11008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.04993	0.1
61.02922	1.0
61.95813	0.1
62.01592	0.1
63.02388	0.3
63.60032	0.1
65.03939	0.1
67.05493	0.1
68.45222	0.1
69.03423	2.6
71.01349	0.4
71.04989	2.5
73.02911	6.3
75.04470	0.2
77.03939	0.1
78.04719	0.2
78.40034	0.1
79.05518	0.1
81.03410	2.2
83.04978	1.9
85.02898	6.0
86.03213	0.1
87.04469	0.3
89.03907	3.5
90.04237	0.1
91.05479	0.4
93.07008	0.1
95.04964	0.2
97.02888	2.3
99.04436	0.4
100.23155	0.1
101.06058	0.1
103.03960	0.2
103.05454	0.2
105.04506	0.1
105.07005	0.1
106.04183	0.2
107.04969	0.1
109.02866	1.2
111.04435	1.4
115.03919	1.6
117.03371	11.7
118.03703	0.2
119.04929	0.3
121.06479	0.1
124.05238	0.1
127.03908	0.6
129.05472	1.3
131.04898	0.1
133.04950	0.7
134.03619	0.7
135.04430	0.7
137.05992	0.3
139.03888	0.3
145.02834	39.0
146.03149	0.8
147.04405	0.1
147.06522	0.8
149.05965	4.3
151.03888	0.2
151.07556	0.6
153.05443	0.1
157.04964	0.1
157.06438	0.1
158.06020	0.1
161.05962	0.1
162.03146	0.1
163.03864	0.4
165.09114	0.2
169.04958	0.2
169.06377	0.1
171.06442	0.1
175.07553	0.1
177.05452	100.0
178.05791	2.5
179.07054	0.3
181.06439	0.1
181.08499	0.1
186.05434	0.5
189.05527	0.1
189.09172	0.1
191.07106	0.1
193.08588	0.3
195.06508	2.3
199.07605	0.1
200.93912	0.1
205.08650	0.1
207.06447	0.2
217.08589	0.1
223.06093	0.1
225.07497	0.4
231.06450	0.2
231.10194	0.1
233.08211	0.1
235.09673	0.3
237.07607	0.2
241.08676	0.1
243.08649	0.1
247.09630	0.2
255.08772	0.1
259.09595	0.6
261.09680	0.2
265.10834	0.1
273.07639	0.1
277.10687	0.8
279.08487	0.1
282.40396	0.1
287.09238	0.2
291.08582	0.2
295.11798	0.2
297.09656	0.1
303.08493	0.6
305.10248	0.2
309.09558	0.7
321.09647	2.7
322.09827	0.1
323.11264	1.0
339.10712	10.0
340.11151	0.4
342.13354	0.1
345.13412	0.1
435.12814	0.1
449.14590	0.1
453.15292	0.1
453.21609	0.1
455.15512	0.2
471.15851	0.3
485.16370	0.1
489.17133	0.1
513.12756	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	802.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67604	0.3
67.05485	0.4
69.56716	1.6
73.02911	0.8
73.06545	0.6
77.03913	0.6
79.05490	3.6
81.07076	0.5
85.56597	0.3
86.09697	0.5
87.04462	100.0
88.04805	0.7
89.06020	4.1
91.05479	4.2
92.57921	0.3
93.07027	0.9
95.04979	2.2
103.05469	2.7
105.07023	47.2
105.18872	0.4
106.07352	1.2
107.04945	0.6
115.18552	0.3
115.19887	0.3
117.07036	1.0
117.09112	0.4
118.41329	0.3
119.04893	0.4
119.08567	2.1
119.69965	0.3
120.84279	0.3
121.06486	6.3
128.06163	0.3
129.06987	1.4
131.07050	3.1
131.08551	3.7
133.08565	1.9
133.10112	0.8
145.06480	0.5
147.08040	17.2
149.09607	3.0
165.09105	0.8
173.09618	0.5
175.09636	1.0
177.11188	0.4
181.10098	0.5
219.12291	4.4
223.11151	1.0
225.12735	8.4
249.12643	1.5
251.14186	1.2
263.14914	0.4
269.15292	1.4
313.17920	0.8
329.18768	0.4
373.21570	2.3
374.21970	0.4
404.95676	0.3
451.17383	0.4
493.47217	0.3
744.20416	0.3
802.47614	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	802.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98281	0.3
60.47907	0.3
67.05493	0.4
73.02912	0.4
73.05318	0.3
73.06567	0.6
77.03904	0.6
79.05483	3.6
86.09689	0.4
87.04460	100.0
88.04790	0.5
89.06020	3.5
91.05463	3.8
93.07053	0.9
95.04984	2.2
95.08607	0.3
95.50504	0.4
103.05459	3.2
105.07019	45.8
106.07393	1.5
107.04943	0.7
113.05862	0.4
117.07002	0.7
117.09060	0.4
119.04943	0.7
119.08559	2.1
121.06499	6.2
128.06180	0.6
129.06982	1.2
131.07027	2.5
131.08533	2.9
133.08574	2.1
133.10118	0.5
135.08081	0.4
145.06442	0.7
147.08034	14.7
149.09566	2.7
161.31895	0.3
165.09036	0.3
175.09601	0.6
177.11205	0.8
177.88916	0.3
181.10071	0.7
184.07318	0.5
204.01125	0.3
219.12274	2.6
223.11101	0.8
225.12709	7.5
226.13086	0.4
247.83270	0.3
249.12662	0.8
251.14250	0.8
263.14832	0.6
269.15222	1.4
313.17880	0.5
329.18500	0.4
329.22205	0.4
335.25537	0.3
373.21634	2.7
454.29565	0.4
802.47083	1.7
823.88544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.2
57.58537	0.1
65.03941	1.0
67.05490	0.3
69.03415	0.4
69.26244	0.3
69.26670	0.4
71.01347	0.6
71.54179	0.1
73.02924	0.9
77.03915	0.2
81.03410	1.6
85.02899	1.5
91.05457	0.2
93.03392	0.5
95.04957	0.3
97.02875	0.6
99.04468	0.2
101.02364	0.4
104.96331	0.1
105.04495	0.2
108.02087	0.7
109.02895	0.6
111.04417	0.7
113.02361	0.7
118.04140	1.2
119.04927	0.3
121.02872	0.4
124.01550	0.2
125.05991	0.8
131.03387	0.4
136.01570	0.7
139.00273	0.1
141.05453	0.8
151.03896	25.6
151.04994	2.5
152.01076	0.6
152.04265	0.5
153.01836	0.4
154.02559	0.6
159.02863	0.2
164.02571	0.1
165.01857	0.2
169.04945	1.9
170.02127	0.2
178.02629	0.2
181.01321	0.4
182.02122	1.0
197.04425	2.4
198.01642	0.4
200.03194	0.2
225.05576	0.2
226.06323	0.4
236.04691	0.2
237.05469	0.2
244.39420	0.1
253.04939	1.4
254.05719	3.7
257.04312	0.2
265.04834	0.1
269.04504	0.7
270.05130	0.8
271.05975	9.6
272.06393	0.5
281.04401	0.9
282.05197	5.4
283.05923	2.3
284.06705	0.4
285.03937	0.6
286.04626	0.6
293.04410	0.5
295.08240	1.3
299.05472	8.5
300.06241	15.4
301.06583	0.6
310.04852	0.2
313.09100	0.5
315.08575	100.0
316.08908	4.0
323.05359	0.2
325.07120	0.8
339.08618	0.2
349.32184	0.1
491.11777	22.0
492.12122	1.2
787.30029	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	804.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
61.02927	1.4
65.03941	2.1
69.03419	1.5
69.98037	1.8
71.04990	1.1
73.02911	0.7
76.86359	0.6
81.03410	1.1
85.02906	6.0
91.03934	1.1
95.04973	0.9
97.02883	2.1
99.04433	0.7
109.02861	2.0
111.04422	1.6
118.54439	0.5
121.02866	100.0
122.03214	2.0
127.03950	3.1
133.16896	0.6
139.03897	1.3
145.04987	2.1
163.03841	0.7
163.06055	3.4
223.05952	0.7
233.87140	0.6
235.63118	0.6
245.27437	0.7
265.07043	1.6
283.08118	44.2
284.08472	1.7
325.11337	0.7
343.02438	0.7
357.71838	0.6
396.25314	0.6
445.13382	0.8
723.93842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31813	0.1
57.03439	1.1
61.02940	0.2
63.02371	0.3
64.68607	0.1
66.20234	0.2
68.88907	0.2
69.03433	1.6
71.01327	0.2
71.04989	5.8
73.02912	0.2
75.04482	0.2
79.05479	0.4
81.03390	0.5
83.04973	0.9
85.02904	7.3
87.04482	0.3
89.03911	2.6
97.02890	3.8
99.04433	0.5
107.04960	1.0
109.02887	0.2
111.04411	0.6
117.03385	3.5
127.03918	0.6
129.05475	2.0
135.04414	9.9
136.04684	0.2
136.09245	0.2
137.05974	0.4
145.02844	8.9
145.04858	0.3
147.06519	1.2
151.03899	0.3
151.07475	0.3
163.03894	100.0
164.04247	1.8
165.05463	0.4
181.04936	2.0
186.05551	0.2
189.05394	0.2
190.18199	0.2
203.07031	0.2
245.08029	0.3
247.09537	0.3
263.09232	0.2
273.07401	0.3
307.08032	0.8
309.09595	1.2
317.10162	0.2
325.09158	23.0
325.30841	0.2
326.09366	0.8
461.14471	0.2
471.14856	0.5
552.95276	0.2
557.85962	0.2
671.31573	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	804.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	7.2
61.29292	0.4
63.67348	0.4
64.31981	0.5
65.03982	0.5
69.03419	1.1
70.47659	0.9
71.04982	2.6
73.02914	8.7
73.06554	3.9
78.99505	2.4
78.99892	0.4
85.02907	0.4
87.04461	28.5
89.06023	100.0
90.06349	0.9
91.05473	0.5
91.07584	0.7
103.07578	7.1
105.46410	0.5
107.07051	2.2
109.00525	0.5
113.00009	8.0
113.05992	2.0
115.07570	2.9
117.09119	3.4
118.09793	0.4
124.99966	0.9
125.38837	0.4
127.01554	61.2
128.01970	0.6
131.07019	7.0
133.08594	51.5
134.08917	1.1
135.10181	0.6
139.01537	25.3
139.02618	1.2
147.10155	4.2
153.03102	70.2
159.10143	2.0
161.11729	0.9
175.09648	4.7
177.11197	16.6
183.04146	8.3
195.25096	0.5
197.05730	31.1
198.06058	0.4
203.12727	0.9
219.12265	0.9
221.13799	2.8
227.06741	3.5
234.57761	0.5
241.08327	9.9
242.89351	0.5
259.09256	1.1
265.16302	0.8
271.09375	4.2
283.17401	0.8
285.10928	3.5
303.12140	0.9
315.12039	2.8
321.13760	0.5
329.13538	1.3
347.14532	1.3
359.14502	1.2
391.17282	1.1
403.16965	1.0
435.19913	1.1
479.22067	0.7
523.04163	0.6
787.40747	3.4
804.25995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17934	0.4
67.83892	0.5
69.60025	1.0
69.60413	1.1
73.02914	0.6
73.06540	1.7
77.03901	1.3
79.05489	6.7
87.04465	9.5
89.06024	53.0
90.06378	0.6
91.05477	12.5
93.07034	2.6
95.04954	4.0
102.38229	0.5
103.05457	6.9
105.07021	100.0
106.07354	1.3
107.04951	2.0
107.07036	1.2
115.05392	0.7
116.06249	0.6
117.07001	1.9
117.09127	1.3
119.04919	1.5
119.08556	5.0
121.05607	0.8
121.06499	15.2
128.06232	1.8
129.06985	4.6
131.07063	2.4
131.08562	7.2
132.05687	0.7
133.08591	32.4
134.08960	0.6
135.08037	0.7
145.06483	1.8
147.08034	41.6
148.08369	1.0
149.09613	8.4
153.69919	0.5
163.11142	0.7
165.06911	0.7
166.07837	0.6
175.09639	1.9
175.11130	0.7
177.11197	10.6
181.10147	1.7
191.10585	0.8
193.12276	0.5
208.08817	0.8
221.13809	2.5
223.11151	1.8
223.15024	0.5
225.12720	20.0
249.12733	3.8
251.14375	3.5
265.16394	0.9
267.13763	1.0
269.15289	2.6
283.17615	0.6
311.16620	0.6
313.17892	1.6
327.17279	0.9
329.19080	0.9
373.21570	4.9
417.24875	0.6
683.39697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	0.7
60.34577	0.3
60.60171	0.3
64.29230	0.3
65.03950	0.4
65.13001	0.3
69.43773	1.2
72.00635	0.3
73.02900	1.0
73.06547	1.4
75.83844	0.3
77.03944	1.1
79.05492	7.2
81.07043	0.3
84.40713	0.3
86.46870	0.3
87.03940	0.3
87.04461	8.9
89.06029	55.1
90.06328	0.4
91.05476	12.5
92.05805	0.4
93.07042	2.4
95.04964	4.1
98.22691	0.7
103.05464	8.4
105.04581	1.8
105.07026	100.0
106.07371	1.4
107.04973	2.1
107.07063	1.7
115.05478	0.5
116.06224	0.8
117.06973	1.7
117.09113	1.4
119.04926	1.4
119.08588	5.7
120.08887	0.3
121.06503	15.5
128.06206	1.0
129.06996	4.2
130.08568	0.6
131.07053	2.8
131.08551	8.5
132.05687	1.1
133.08600	37.1
133.10188	1.3
134.08908	0.5
135.08029	0.5
135.10167	0.5
139.37262	0.3
145.06483	1.1
147.08041	38.9
148.08359	1.0
149.08482	0.5
149.09616	7.5
155.05940	0.3
163.11172	0.4
165.09076	1.4
173.09618	0.9
175.09654	2.0
177.11214	13.6
179.08519	0.4
181.10089	1.7
191.10654	0.7
193.12251	0.4
207.11563	0.6
208.08760	0.5
209.11687	0.8
219.12312	0.6
221.13794	2.7
223.11153	2.7
223.15057	0.4
225.12730	21.0
226.13045	0.4
235.13089	0.3
237.12666	0.4
239.14803	0.4
249.12756	3.6
251.14313	3.1
265.16364	0.7
267.13831	0.8
269.15369	3.3
283.17212	0.7
295.16830	0.7
309.18939	0.5
311.16422	0.7
313.17834	1.5
315.18057	0.5
327.17319	0.7
329.18854	0.7
359.20395	0.4
373.21591	7.0
374.21793	0.6
380.74451	0.3
484.11829	0.3
683.39374	0.6
787.45306	0.5
804.48114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
61.47670	0.3
63.33891	0.3
65.03938	2.6
67.05488	0.7
69.03410	1.2
80.69504	0.3
80.80164	0.3
81.03413	3.0
82.04173	1.1
85.02893	2.5
91.05464	0.7
93.03406	0.5
95.04937	0.8
97.02847	0.7
97.06525	0.6
99.04418	0.3
108.02103	0.5
108.36471	0.3
109.02854	1.0
110.03652	1.5
111.04414	0.6
119.04938	0.4
121.02790	0.4
123.00780	0.3
123.04362	0.7
125.05981	0.6
127.03893	0.5
138.03081	0.7
140.01038	0.5
140.04643	2.4
142.30112	0.3
153.05464	2.0
155.06970	1.3
161.02203	0.3
163.03899	0.9
168.00531	4.7
171.06511	2.8
181.04939	65.4
182.05270	1.9
183.02881	5.7
186.01596	2.7
193.04916	0.4
199.06017	2.8
228.26253	0.3
249.44476	0.3
258.05261	1.0
268.03610	1.0
285.03937	0.7
286.04669	20.2
287.05142	0.7
301.07040	100.0
302.07431	3.7
325.09201	3.3
343.10187	2.5
538.22504	0.4
643.16351	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	805.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08863	0.4
63.02388	0.4
65.03941	0.5
67.01830	0.4
69.03418	0.4
69.33047	1.5
75.01505	0.4
78.04688	0.4
81.03403	2.6
85.02883	0.7
89.03906	5.9
91.05453	2.2
97.02872	0.8
107.50525	0.4
109.02816	0.4
117.03365	19.3
119.04938	3.6
121.02887	0.5
121.06377	0.4
133.02802	0.7
134.03625	1.4
135.04414	1.2
137.05969	4.0
145.02834	44.3
146.03149	0.9
147.04402	3.0
149.05974	7.6
150.06773	0.5
151.03894	0.8
151.07477	0.9
153.01808	4.1
161.05943	1.0
162.06740	1.3
163.03894	1.3
167.03259	0.5
170.60284	0.5
175.03893	2.2
177.05450	78.1
178.05772	2.0
179.07008	5.4
180.07698	0.6
186.05443	0.8
193.05081	0.4
201.05463	2.0
265.08487	0.5
271.05975	100.0
272.06299	2.7
305.08099	1.1
311.39536	0.4
321.09555	2.6
323.08990	0.6
325.10767	3.1
337.10565	1.9
338.10602	0.6
339.10764	1.1
341.10306	2.0
355.11896	2.9
373.12674	1.8
447.21820	2.2
448.22299	0.9
499.16138	0.5
517.17200	0.5
535.17902	1.3
597.15680	0.4
643.20087	0.4
805.29712	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	805.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38494	1.2
64.89053	1.2
65.03948	3.6
65.47211	1.1
70.06597	1.8
71.43217	1.3
79.05482	2.1
84.04524	1.1
85.02901	2.2
89.03926	1.6
91.05474	40.0
95.04985	3.2
103.05445	4.1
105.04531	1.2
105.07029	3.9
106.97410	1.1
107.04947	88.1
108.05271	1.4
115.05462	6.3
117.07012	10.8
118.04183	2.5
119.04939	53.1
121.06536	2.9
127.05479	1.2
131.04935	3.9
132.02087	1.7
133.06500	7.2
137.05980	3.6
142.11740	1.3
145.02840	3.6
145.06470	12.2
147.04399	44.3
149.02316	1.8
149.05957	3.2
151.03888	3.9
155.06023	6.3
157.03963	6.1
159.04398	3.1
160.05220	1.6
161.05943	9.1
163.03915	3.0
164.04718	2.1
167.06978	1.5
169.04968	1.6
171.04366	2.3
173.05997	7.3
174.06734	1.3
175.03889	65.9
177.05487	3.9
178.05800	1.8
179.07013	3.1
181.04979	2.2
184.68774	1.2
185.05992	1.4
187.03922	3.1
189.05400	11.3
189.09120	2.3
191.03383	1.6
193.05014	3.7
193.08591	2.7
201.05464	2.3
203.07037	1.8
205.04955	8.2
207.06502	100.0
208.06828	2.6
217.04955	24.9
217.08739	1.2
219.06480	12.6
219.10193	5.3
220.10567	1.5
229.04988	2.5
231.06497	9.5
234.05197	1.5
235.05980	11.3
237.07399	1.2
241.05005	2.1
245.08127	2.7
247.06059	3.8
249.07559	60.8
250.07777	1.7
259.05978	5.3
271.06009	3.6
273.07562	3.4
277.06955	2.5
287.05533	4.4
287.09192	3.5
291.08606	4.5
297.07544	1.4
299.09183	4.3
301.07089	1.3
303.08606	1.3
311.09116	3.9
313.07486	1.3
315.08542	3.9
317.10193	3.9
323.09146	1.6
325.11157	1.3
341.10199	11.1
351.10748	2.7
353.10233	5.4
365.10196	4.5
369.11865	8.8
381.09656	1.4
383.11209	4.9
395.11185	2.7
401.12302	1.4
407.11258	3.2
419.13028	2.2
425.12259	2.6
443.13358	1.6
467.13043	1.6
527.15289	1.5
529.15082	2.2
583.15912	1.5
655.19678	1.3
805.30548	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	805.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.3
58.99578	2.7
60.04532	1.9
67.05501	5.7
69.03430	12.8
70.02952	17.9
70.97807	2.2
73.56579	1.4
74.02460	1.6
76.02220	5.4
76.04002	8.1
78.03463	2.8
79.05484	5.1
80.05025	4.0
81.03429	7.7
81.07046	4.8
82.06556	1.5
83.04977	9.7
83.06120	3.9
84.04509	6.4
86.00660	2.8
88.02227	7.0
88.03995	1.3
91.05478	8.9
91.05995	1.4
92.62135	1.3
93.07054	7.8
95.04964	2.5
95.08609	5.0
96.04461	2.7
99.05583	5.6
105.07016	12.5
106.02904	6.4
107.06076	3.9
107.08589	7.0
109.07629	7.3
109.10163	2.7
111.04446	14.5
116.01676	6.8
116.03448	2.8
117.07039	7.2
119.08568	14.7
121.10137	5.0
121.72447	1.6
124.03946	83.4
125.04254	1.6
125.07116	1.7
127.28858	1.5
128.06221	3.0
129.06851	4.5
130.04997	4.9
130.07724	3.4
131.08583	15.5
133.02858	2.8
133.06494	1.5
133.10126	7.5
137.04131	1.9
141.06932	2.9
142.07797	3.1
143.02744	5.3
143.08553	11.1
144.01115	2.0
144.09322	2.7
145.06076	52.5
145.10120	43.9
147.04413	1.6
147.08000	1.4
147.10533	1.8
147.11681	5.2
153.06624	5.8
155.08296	8.5
156.09373	3.0
157.10124	13.9
158.10889	3.3
159.11688	18.0
161.13278	1.9
162.02194	3.2
167.08565	3.7
168.09375	1.3
169.06050	2.0
169.10193	6.9
170.10858	2.1
171.02531	1.3
171.11705	7.7
172.12450	7.1
173.13249	4.4
175.03947	1.9
175.14871	1.4
177.03285	3.6
179.04866	2.3
179.08588	2.9
181.06090	7.6
181.10110	5.2
182.10963	3.4
183.11720	8.2
185.03812	5.9
185.09581	3.0
185.13242	15.2
187.05527	2.1
187.14809	100.0
188.15131	2.8
189.03271	20.7
189.16486	1.9
193.10147	5.3
194.10904	2.5
195.11728	5.3
196.12347	3.1
197.13205	8.1
199.07233	3.8
199.14813	4.0
207.11644	2.8
209.13252	4.5
211.14812	9.8
213.08841	3.3
213.16298	2.1
214.15884	1.7
215.14343	1.8
217.10225	2.1
219.11874	5.5
221.13329	3.6
223.11319	1.6
223.14778	3.2
225.12695	1.9
227.14418	1.8
229.06340	1.9
231.04324	10.0
235.14812	5.8
237.16336	2.7
251.17828	2.2
256.09094	2.9
257.07770	3.5
261.16504	2.1
269.18872	1.7
274.10370	6.6
279.17432	7.3
288.06491	4.0
297.18454	19.8
313.20258	3.1
329.15805	1.6
354.18878	1.9
365.18900	4.4
370.28690	1.4
372.20032	3.1
457.21597	12.6
458.20801	2.0
472.21597	2.2
475.22583	48.5
476.22272	1.9
488.22504	2.4
580.24542	5.6
581.22937	2.3
586.25659	2.3
598.25806	30.9
599.25201	2.7
616.26508	6.4
658.27881	31.4
665.28906	4.2
676.28955	7.3
709.28607	5.0
712.28320	4.7
727.30023	2.2
730.29846	8.8
769.31122	10.6
769.69342	1.5
787.32196	8.8
805.33228	2.2
814.65808	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	805.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92612	1.3
69.03438	1.5
70.06590	2.6
71.43039	1.6
78.74387	1.2
85.02892	2.7
85.62115	1.1
86.09692	1.1
91.05489	4.1
97.02870	1.3
104.48416	1.3
106.03006	1.6
109.02886	1.3
119.04965	3.1
121.02955	1.3
123.04466	1.8
123.93873	1.4
124.03980	4.3
127.23496	1.1
145.02901	1.3
147.04414	3.4
161.06010	1.6
167.07082	7.9
173.06107	1.2
175.03931	4.1
181.04947	6.9
207.06538	7.1
208.06961	1.3
268.08206	2.9
385.12827	2.8
386.14102	1.4
417.15594	2.1
440.22290	1.4
643.23328	2.9
805.41870	100.0
806.42188	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	808.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32291	1.1
68.99804	2.8
71.42398	1.6
84.04499	1.8
91.24571	1.1
95.04998	1.4
103.05469	32.1
105.04523	1.6
110.02388	9.7
115.05479	1.3
131.04927	83.6
148.54729	1.2
150.01945	1.4
152.03381	6.1
153.01846	11.9
154.01384	3.2
162.01662	1.2
165.01900	1.4
166.01344	2.7
168.02933	1.3
169.01366	3.8
178.01352	24.5
178.02750	1.8
181.01331	8.5
184.07295	1.5
192.02963	1.7
194.04483	1.3
196.02440	10.0
197.00841	1.8
197.05835	1.2
199.02391	4.9
199.04016	4.3
205.01361	1.6
209.00810	6.7
213.05531	2.7
218.99133	1.8
220.02382	14.9
221.00848	3.2
234.98802	1.9
238.03577	1.7
241.04922	5.8
244.02452	1.5
246.00351	2.9
252.99777	6.9
257.08115	2.2
259.05908	1.3
261.00354	1.4
262.03577	2.9
264.01434	3.2
268.01019	1.3
280.05911	1.3
282.07574	17.1
282.10077	1.3
288.01300	6.5
300.99591	1.9
306.02399	3.7
319.00760	6.7
324.08685	6.5
329.02023	2.5
330.02557	3.3
350.06677	2.0
366.09802	4.6
392.07764	4.6
410.08658	7.4
423.07388	3.5
433.07761	7.3
434.08713	23.1
460.10220	1.4
474.08331	2.5
486.08240	1.6
498.08588	1.8
554.07269	4.3
574.09833	3.1
582.06714	2.7
600.07867	5.2
704.13940	24.5
763.34839	1.7
808.20184	100.0
809.20386	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	808.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	4.1
59.04995	0.3
61.41059	0.2
67.05470	0.2
69.03445	0.2
69.07062	0.6
70.70592	0.3
71.04969	0.2
71.08625	8.9
71.50896	0.2
73.02913	1.2
73.06544	0.9
79.05490	0.5
81.07045	0.2
83.04992	0.2
85.10176	5.1
87.04460	100.0
88.04798	0.7
89.06025	4.9
89.45568	0.2
90.04715	0.2
90.48318	0.2
91.05466	3.1
91.05991	0.3
91.24559	0.2
93.07039	1.5
95.04967	0.7
95.08583	0.2
96.36628	0.2
99.96704	0.2
101.73782	0.2
103.05470	0.6
105.07017	5.4
106.07372	0.7
107.04961	0.7
107.07044	0.2
107.08588	0.7
110.08928	0.2
117.07032	0.6
117.09136	0.8
118.07800	0.4
119.04930	0.6
119.08560	1.1
121.06490	4.2
121.10154	0.3
123.08078	0.3
127.14835	0.4
129.07059	0.3
131.07030	4.2
131.08601	0.5
133.08589	3.3
133.10121	0.3
135.08078	1.0
135.11713	0.4
136.05180	0.2
145.10144	0.5
147.08022	2.5
147.09119	0.2
149.09595	1.0
159.11705	0.5
161.11624	0.2
163.11246	0.5
165.09093	1.1
167.10709	0.5
175.09671	1.6
175.11047	0.3
177.11244	0.9
177.12669	0.3
179.10736	0.2
184.07349	0.5
191.10635	0.8
193.10674	0.3
193.12289	0.5
209.11765	0.8
211.13379	0.7
219.12263	4.0
221.13757	0.2
235.13390	0.6
247.20560	3.9
247.22935	0.3
251.75044	0.2
255.15962	0.6
261.22327	0.2
263.14987	0.5
273.22037	1.0
284.03641	0.2
289.25177	0.3
291.23145	6.6
292.23520	0.2
299.18561	0.2
317.24911	0.7
335.25677	1.2
613.88190	0.2
808.54053	5.7
809.54163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	13.4
67.05513	84.9
69.07083	27.1
69.58568	46.8
75.17416	9.8
79.05502	76.1
79.14047	10.3
79.19105	10.1
81.07066	55.0
91.05481	81.7
93.07036	83.3
95.08611	37.0
95.50799	10.1
97.71839	10.1
102.01607	12.7
105.07019	100.0
107.08607	38.9
109.10130	20.7
117.07033	30.3
119.08603	45.2
121.10163	19.1
129.07001	19.5
131.08589	39.3
133.10136	48.4
143.08600	17.8
145.10126	35.7
147.11700	34.0
149.77376	15.3
159.11705	23.1
161.13301	23.8
171.11819	19.9
175.14856	12.2
184.07376	15.0
185.13182	15.6
241.19504	17.2
259.20605	35.7
286.69101	11.4
312.84653	13.8
333.24213	46.2
335.25861	57.3
456.54883	12.1
602.52734	13.8
611.46295	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.2
67.05511	1.0
69.03422	1.5
69.70501	0.7
74.20386	0.2
77.20653	0.2
80.02645	0.3
81.03414	4.4
83.77649	0.2
85.02903	1.6
93.03390	1.8
95.04960	0.9
95.05578	0.2
97.02883	2.3
99.04443	0.6
105.04500	0.3
108.02089	1.5
109.02890	2.2
111.04446	3.3
125.05994	3.1
127.03931	1.3
136.01505	0.3
141.05441	1.9
145.04948	0.3
151.03902	100.0
151.04968	7.0
152.04234	1.9
168.02939	0.6
169.04955	10.1
170.05325	0.3
189.40616	0.2
214.94640	0.2
219.58321	0.2
247.77838	0.2
277.07117	0.5
295.08112	6.0
296.08658	0.4
313.09140	6.3
314.09821	0.3
314.98938	0.2
328.80856	0.2
463.12317	0.5
571.85846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	1.1
67.05504	6.4
69.03423	11.1
69.07049	2.3
71.08632	3.5
78.03449	2.5
79.05491	5.4
80.05012	2.6
81.03413	6.1
81.07053	8.0
83.04980	6.4
83.08625	4.2
91.05478	6.1
93.07046	5.6
95.04955	3.0
95.08598	7.8
96.04483	2.4
97.06529	1.3
97.10164	5.1
99.08051	1.0
105.07011	7.4
106.02908	5.2
107.08572	5.5
109.06490	1.6
109.10138	1.7
111.04435	12.0
111.08099	0.9
117.07014	2.9
119.08576	8.1
121.06457	1.2
121.10134	2.8
123.08068	0.9
124.03946	100.0
125.09612	3.0
128.06238	1.1
129.06972	1.9
131.08585	5.6
133.10120	5.6
135.08049	0.7
135.11711	0.8
141.06969	1.4
142.07730	2.3
143.08540	4.9
145.06540	0.9
145.10117	9.8
147.08058	1.3
147.11681	2.3
149.13304	0.9
152.06375	0.8
155.08553	3.3
156.09306	1.8
157.10100	5.0
159.11705	7.0
161.09595	1.0
161.13245	3.2
167.08522	2.2
169.10110	4.1
171.11678	3.8
173.13254	2.0
175.11127	1.2
175.14799	1.4
177.16367	1.3
179.08627	1.0
181.10106	1.6
182.10959	1.1
183.11679	2.7
185.13234	2.5
187.11124	1.2
187.14819	11.7
189.11206	1.8
192.09438	0.9
193.10120	0.8
194.10951	1.0
195.11699	2.7
196.12343	1.0
197.13271	2.4
199.11151	0.9
199.14871	1.7
201.16415	0.9
203.14288	3.0
205.10237	0.9
205.15895	9.4
207.11653	0.8
209.13260	2.3
211.14772	3.5
213.12590	1.0
215.14297	2.7
229.00760	1.0
229.15820	1.6
235.14818	1.7
251.17908	2.2
253.15887	2.5
269.18994	3.4
277.21542	0.7
279.17435	3.9
294.23871	0.7
297.18430	6.3
315.19543	3.4
326.17596	0.8
328.19022	7.1
420.21811	1.2
438.22723	4.4
498.25058	5.0
749.98938	0.8
810.47876	20.9
811.47198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	19.8
59.04979	2.1
69.03403	1.2
69.07068	1.7
71.08625	36.9
73.02906	1.5
73.06550	4.1
73.32207	0.7
79.05486	1.3
81.07058	0.9
83.08616	0.9
85.10172	20.1
87.04459	30.9
89.06022	100.0
90.06352	0.9
91.05470	11.5
91.07546	0.6
93.07024	4.9
95.04957	3.1
95.08603	0.7
103.05473	1.8
104.06252	1.3
105.04507	1.2
105.07043	4.6
107.04945	3.6
107.07066	2.3
107.08567	3.2
109.06493	1.0
113.06059	1.0
115.05477	0.7
117.06990	2.4
117.09126	2.3
118.07824	1.8
119.04929	2.2
119.08579	5.2
121.06498	14.4
121.10130	2.3
123.08076	1.1
127.14848	1.2
130.08611	1.6
131.07030	12.1
131.08578	2.4
133.08589	61.2
135.08037	5.4
135.11710	2.0
136.05241	0.9
145.10104	2.1
147.08047	8.6
149.09598	4.6
150.06673	0.8
159.11687	0.8
163.11186	3.7
165.09100	5.4
167.10669	1.3
175.09647	7.2
175.11093	1.2
175.51590	0.7
177.11208	22.7
177.12598	1.2
184.07291	1.6
191.10713	2.9
191.14258	0.9
193.12268	1.8
209.11708	2.3
211.13304	3.2
217.12163	0.8
219.12245	2.0
221.13834	4.1
235.13304	1.8
237.14981	0.8
239.14835	1.1
247.20544	14.5
247.22942	1.0
255.15970	2.2
261.22025	0.8
265.16647	0.9
273.22159	3.5
283.17468	0.7
289.21893	0.8
289.25259	1.2
291.23126	21.9
291.26404	1.1
292.23346	0.8
299.18527	0.9
309.18945	1.2
317.24692	2.1
323.18353	0.8
333.24078	0.7
335.25677	4.5
353.21667	1.0
366.68381	0.9
397.24384	0.9
408.21469	0.7
541.20087	0.7
793.52490	2.6
810.55481	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	811.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
61.02914	0.3
68.99777	0.2
69.03423	1.8
69.51583	0.5
71.05000	0.2
73.02915	0.3
81.03410	1.6
85.02904	3.1
87.00836	0.8
91.05499	0.3
95.08601	0.2
95.78290	0.1
97.02895	1.5
99.04446	0.5
103.86565	0.1
105.01852	0.4
105.07003	0.2
109.02865	1.2
117.01871	0.2
118.04153	1.0
119.04923	0.3
119.08562	0.5
121.02869	0.3
127.03928	1.8
131.04956	0.2
133.10072	0.2
136.01552	0.3
137.06073	0.3
145.04948	0.9
145.10136	0.2
147.04367	0.2
151.03906	0.3
152.01041	0.4
153.01866	0.4
154.02600	0.5
159.02824	0.5
159.11699	0.2
161.13277	0.2
163.06029	0.3
170.02057	0.2
172.14774	0.1
173.13124	0.1
176.42097	0.2
181.01242	0.4
182.02098	0.7
197.04465	1.9
198.01636	0.4
209.08041	0.2
213.54410	0.2
225.05576	0.2
226.06247	0.2
236.04747	0.2
240.33511	0.1
253.04961	1.2
254.05736	2.7
269.04440	0.6
270.05188	0.5
271.05994	8.3
271.24100	0.3
272.06412	0.3
281.04440	0.7
282.05222	5.0
282.08325	0.3
283.06036	2.0
284.06735	0.3
285.03912	0.5
286.04828	0.6
299.02649	0.2
299.05469	7.4
300.06271	12.6
301.06644	0.5
315.08600	100.0
316.08932	3.9
325.07013	0.6
325.10901	0.3
356.89645	0.2
396.92279	0.2
477.13919	4.3
478.14029	0.2
519.15131	0.4
545.13013	0.8
563.13928	16.9
564.14160	1.1
833.89752	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	811.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
59.04997	0.8
61.02925	5.1
61.29293	0.7
67.05500	5.1
69.03420	3.3
69.07075	2.1
71.05002	2.4
71.42861	0.7
73.02905	3.4
76.77530	0.7
79.05479	5.2
81.03422	4.1
81.07058	5.6
83.04981	1.7
83.08611	1.3
85.02910	6.5
85.06564	0.8
89.06031	1.3
91.03986	2.6
91.05471	5.3
93.07034	4.5
95.04982	1.8
95.08611	2.3
97.02878	4.3
97.06554	1.2
99.04504	0.8
101.02362	1.4
105.07002	4.6
107.05004	0.8
107.08612	2.9
109.02884	1.2
109.10180	1.6
109.67986	0.8
110.20894	0.7
111.04498	0.7
115.05253	0.7
117.06978	1.3
118.80260	0.7
119.08626	2.9
121.02943	0.7
121.10168	2.7
123.08098	0.8
123.11791	0.7
124.03952	4.0
127.03938	2.3
129.07047	1.1
131.08586	2.1
133.10178	1.7
135.11731	1.2
147.11708	1.6
149.09685	1.4
205.15836	0.8
225.14905	0.8
243.08495	4.1
267.16058	1.0
283.15274	2.6
333.20450	2.7
339.17990	1.4
349.20105	1.1
396.68402	0.8
453.21320	1.2
469.20264	1.2
501.23062	12.2
551.28375	7.0
682.80389	0.8
721.37726	2.5
811.44464	100.0
812.44794	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	811.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
58.87605	0.6
59.05003	0.8
61.02925	4.2
67.05502	4.7
69.03418	3.2
69.07079	2.0
69.68943	1.4
69.69339	1.3
71.01347	0.8
71.04993	1.6
73.02908	3.9
77.18611	0.6
79.05485	3.8
81.03409	4.6
81.07050	4.6
83.08621	1.0
85.02905	4.7
87.04480	1.5
89.06050	1.1
91.03986	2.3
91.05465	3.7
93.07022	3.2
94.93146	0.6
95.04982	2.2
95.08627	1.9
97.02862	3.6
98.22762	1.3
101.02400	1.3
105.04531	0.8
105.07013	5.6
107.08620	1.8
109.02897	0.9
117.07055	0.9
119.08644	1.7
121.10181	2.3
124.03999	1.9
127.03935	1.6
129.07002	1.5
131.08604	1.5
133.08681	0.7
133.10153	1.7
145.10173	0.9
147.11746	1.8
149.09662	1.3
157.10228	0.8
159.11720	0.8
175.11285	1.0
188.23691	0.6
193.12352	1.0
210.82980	0.7
225.15091	0.7
243.08492	2.8
267.16068	1.0
283.15076	2.9
333.20572	0.9
339.17908	1.6
358.38962	0.7
371.15381	0.7
439.19052	0.8
453.21063	0.8
469.20609	1.1
501.22964	11.7
551.28369	5.3
567.28064	0.7
721.37518	2.4
811.44379	100.0
812.44922	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	817.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85795	0.7
69.80523	2.4
70.06629	0.9
97.36861	0.8
99.44936	0.7
119.04919	0.8
121.02852	1.2
145.02776	0.7
146.34900	0.7
149.06030	0.6
151.03745	0.8
153.01826	3.1
177.05486	2.6
181.01312	3.0
199.02380	3.4
211.06184	0.8
271.05988	5.7
285.07608	1.1
296.07004	0.9
299.05499	51.6
300.05942	2.0
313.06940	1.4
314.07858	8.3
329.10187	100.0
330.10541	3.4
350.71420	0.8
351.08374	1.6
352.08588	1.3
621.08173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74404	0.8
69.03439	1.9
69.12412	5.6
71.04976	2.0
73.02914	3.7
73.74717	0.8
83.04986	2.2
85.02901	2.8
97.02889	1.8
111.04456	1.2
117.03333	1.9
119.04922	0.8
121.02860	1.3
129.05482	0.9
145.02847	9.1
146.03040	0.8
149.05946	0.9
151.55717	0.8
153.01851	2.5
177.05457	23.3
178.05794	4.0
181.01347	2.6
199.02342	2.2
271.06006	4.4
276.76419	0.9
299.05481	43.9
300.05795	2.1
313.07205	1.0
314.07819	8.2
316.12762	0.9
329.10156	100.0
330.10394	4.8
339.10736	6.0
340.11130	1.3
521.47174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13039	0.3
67.12344	0.3
69.03414	1.3
69.60407	0.5
69.60820	0.9
74.05997	0.3
85.02909	0.4
91.05457	0.8
93.07034	0.3
98.22745	0.6
98.56101	0.3
103.05452	0.4
105.03409	0.3
109.02847	0.4
117.03349	0.6
119.04922	1.2
121.02827	0.9
121.06467	0.4
123.30722	0.3
127.03885	0.5
133.02843	4.5
135.04381	0.6
137.05965	0.9
145.02823	1.9
146.03268	0.4
147.04405	0.6
149.05975	1.5
150.06689	0.4
151.03894	0.8
153.01822	3.1
155.71094	0.4
157.91707	0.4
161.05858	0.3
165.05466	0.5
175.03874	1.3
176.04536	0.3
177.05461	4.5
178.05750	0.6
181.01324	2.7
199.02397	3.3
201.05481	0.7
207.06395	0.3
211.06029	0.6
233.05954	0.5
270.05130	0.9
271.05981	6.2
285.07544	1.1
296.06934	0.7
298.04611	0.4
299.05478	45.0
300.05811	1.7
313.07016	0.6
314.07806	7.8
315.08096	0.4
325.10657	3.0
329.10159	100.0
330.10480	4.3
331.08109	3.9
339.10733	0.7
409.05637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.7
63.02375	0.3
69.03424	2.4
70.06562	0.3
71.04990	7.6
73.02923	0.9
75.04464	0.4
79.05476	0.5
81.03394	0.8
83.04971	1.1
85.02899	10.4
86.37878	0.3
89.03916	3.0
91.05471	0.9
97.02886	3.8
99.04461	0.8
107.04940	0.7
111.04460	1.5
117.03365	4.4
121.06474	0.3
127.03896	0.7
128.56740	0.3
129.05484	2.8
135.04414	8.9
137.05984	3.1
140.76154	0.3
141.01793	0.6
145.02844	10.2
146.03194	0.3
147.04437	0.3
147.06519	1.0
149.06006	0.5
151.03883	0.7
151.07521	0.6
161.05975	0.7
163.03891	100.0
164.04266	2.2
165.01851	0.5
165.05486	0.6
177.05455	5.5
179.07031	1.2
181.04924	1.7
189.05498	0.4
193.01274	1.7
221.08109	0.5
247.09685	1.0
261.63498	0.3
265.10675	0.7
267.70514	0.3
284.54422	0.3
291.08624	0.5
295.07755	0.3
307.08163	0.7
309.09769	1.4
325.09167	19.1
326.09686	0.8
339.10596	1.2
341.81989	0.3
355.06628	0.7
471.14740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.7
63.02375	0.3
69.03424	2.4
70.06562	0.3
71.04990	7.6
73.02923	0.9
75.04464	0.4
79.05476	0.5
81.03394	0.8
83.04971	1.1
85.02899	10.4
86.37878	0.3
89.03916	3.0
91.05471	0.9
97.02886	3.8
99.04461	0.8
107.04940	0.7
111.04460	1.5
117.03365	4.4
121.06474	0.3
127.03896	0.7
128.56740	0.3
129.05484	2.8
135.04414	8.9
137.05984	3.1
140.76154	0.3
141.01793	0.6
145.02844	10.2
146.03194	0.3
147.04437	0.3
147.06519	1.0
149.06006	0.5
151.03883	0.7
151.07521	0.6
161.05975	0.7
163.03891	100.0
164.04266	2.2
165.01851	0.5
165.05486	0.6
177.05455	5.5
179.07031	1.2
181.04924	1.7
189.05498	0.4
193.01274	1.7
221.08109	0.5
247.09685	1.0
261.63498	0.3
265.10675	0.7
267.70514	0.3
284.54422	0.3
291.08624	0.5
295.07755	0.3
307.08163	0.7
309.09769	1.4
325.09167	19.1
326.09686	0.8
339.10596	1.2
341.81989	0.3
355.06628	0.7
471.14740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
58.05433	0.3
63.02383	0.3
65.07272	0.2
69.03423	1.1
69.16840	0.7
69.17249	0.8
71.01352	0.3
71.04993	8.6
73.02918	0.6
75.04472	0.3
79.05489	0.3
81.03435	0.5
83.04978	0.5
85.02903	9.8
87.04486	0.3
89.03905	2.0
97.02892	2.9
99.04453	0.4
107.04937	1.0
111.04443	0.4
111.46600	0.2
113.02373	0.5
117.03385	2.5
118.83366	0.2
127.03896	0.4
129.05490	2.4
135.04405	6.9
141.01811	0.5
145.02840	7.8
147.06548	0.6
159.02856	0.5
163.03896	100.0
164.04236	2.0
164.09084	0.2
165.05557	0.3
175.03891	0.3
177.05501	0.3
181.04967	1.6
197.02901	0.2
246.05147	0.5
247.09732	0.2
259.05899	0.2
266.82782	0.2
273.07535	0.3
279.05411	0.2
291.08698	0.3
307.08142	0.7
309.09604	0.5
325.09180	3.1
327.48257	0.2
339.07089	11.2
340.07462	0.3
393.32980	0.3
485.12823	0.4
501.12338	8.6
502.12622	0.4
504.85223	0.2
560.16833	0.3
635.57904	0.3
647.17340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.7
63.02375	0.3
69.03424	2.4
70.06562	0.3
71.04990	7.6
73.02923	0.9
75.04464	0.4
79.05476	0.5
81.03394	0.8
83.04971	1.1
85.02899	10.4
86.37878	0.3
89.03916	3.0
91.05471	0.9
97.02886	3.8
99.04461	0.8
107.04940	0.7
111.04460	1.5
117.03365	4.4
121.06474	0.3
127.03896	0.7
128.56740	0.3
129.05484	2.8
135.04414	8.9
137.05984	3.1
140.76154	0.3
141.01793	0.6
145.02844	10.2
146.03194	0.3
147.04437	0.3
147.06519	1.0
149.06006	0.5
151.03883	0.7
151.07521	0.6
161.05975	0.7
163.03891	100.0
164.04266	2.2
165.01851	0.5
165.05486	0.6
177.05455	5.5
179.07031	1.2
181.04924	1.7
189.05498	0.4
193.01274	1.7
221.08109	0.5
247.09685	1.0
261.63498	0.3
265.10675	0.7
267.70514	0.3
284.54422	0.3
291.08624	0.5
295.07755	0.3
307.08163	0.7
309.09769	1.4
325.09167	19.1
326.09686	0.8
339.10596	1.2
341.81989	0.3
355.06628	0.7
471.14740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96601	0.4
65.50129	0.4
67.01880	2.4
67.05495	0.6
68.99780	2.2
69.03427	3.1
69.56264	1.6
70.28345	0.4
71.01339	1.9
77.03937	0.4
78.03463	0.7
79.05481	0.6
80.05006	0.7
81.03411	1.9
81.07043	0.4
83.04982	2.3
91.05476	0.8
93.07054	0.5
95.01316	1.2
95.04964	1.0
95.08607	0.8
96.04492	0.9
103.05482	2.7
105.03386	4.2
105.07021	1.9
106.02894	2.2
107.08591	0.7
111.00822	1.0
111.04456	3.1
113.02361	1.0
115.05425	0.4
116.11378	0.4
117.07000	1.1
119.08588	1.4
123.00785	2.2
124.03953	21.8
129.01889	0.4
129.03429	1.0
129.06995	1.0
131.04976	1.0
131.08578	1.6
133.10124	1.0
139.00287	2.1
141.01814	1.1
141.06979	2.4
142.07747	0.5
143.08571	1.3
145.10098	1.4
147.04352	2.3
153.07033	0.5
155.04964	0.7
155.08537	0.9
155.91884	0.5
157.01323	5.4
157.06459	0.8
157.10115	2.2
159.11679	1.3
161.09505	0.7
165.07025	0.6
167.08598	0.6
169.06412	0.5
169.10153	1.0
170.10793	0.6
171.04330	1.2
171.11665	0.6
173.09476	0.5
173.13229	0.8
175.11287	0.6
175.14842	1.2
179.08490	0.6
183.11694	0.7
185.13293	1.1
195.04623	0.5
195.11656	0.8
197.05951	7.4
197.13242	0.5
203.14340	2.8
209.55580	0.5
213.05461	11.3
213.12720	0.4
215.07019	13.2
215.87904	0.4
223.03920	1.9
223.14943	0.6
225.05444	13.7
227.14256	0.5
231.06534	4.0
241.04955	38.7
242.05287	1.2
243.06514	7.2
259.06018	16.8
260.06247	0.6
267.17612	0.5
269.04453	4.1
277.15897	0.4
287.05511	9.0
295.16946	1.3
305.06543	100.0
306.06888	2.8
312.16763	0.4
313.17957	1.3
326.17615	0.5
331.19003	0.5
344.18649	0.7
436.20938	0.7
454.22424	0.7
514.24493	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	818.344
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05526	0.5
69.03425	1.7
69.21407	1.5
69.21810	0.7
78.33485	0.3
79.05490	1.0
81.03413	1.4
81.07037	0.6
85.02908	3.4
87.00818	1.7
91.05479	1.3
93.07027	1.5
95.04926	0.5
95.08613	1.1
97.02885	2.1
97.03420	0.3
103.05450	1.3
105.01832	2.1
105.07034	1.2
105.36299	0.4
107.04961	2.3
107.08593	1.5
109.02873	1.2
109.10133	0.4
111.08094	0.4
117.07008	0.6
119.08586	1.4
121.02888	0.4
121.06507	0.7
121.10132	6.9
121.10974	0.5
127.03907	2.0
131.04900	0.7
133.02878	0.7
133.10141	0.7
135.04443	0.6
137.05980	0.9
137.13298	0.5
139.11188	0.8
145.04977	1.1
147.04416	0.5
149.02303	0.5
149.06009	1.1
151.07542	1.3
153.05479	0.5
159.02843	0.4
163.03891	23.0
163.07553	1.6
164.04303	0.4
165.05452	3.4
169.01341	1.0
169.10135	0.5
175.03928	0.8
175.07591	1.3
177.05458	44.6
177.09102	1.0
178.05835	1.0
179.07062	1.1
187.07524	0.7
189.05486	1.0
189.09122	0.5
191.07022	15.3
193.08636	1.1
195.06537	1.6
201.05550	0.5
201.09138	1.4
203.10764	0.6
203.59695	0.4
205.05003	0.7
207.06500	1.1
208.06784	0.6
211.11194	0.6
212.08276	0.6
215.07176	0.4
215.10600	0.5
217.08612	2.4
219.10156	0.6
223.05983	1.1
225.12723	0.4
227.10683	1.6
229.08630	1.2
229.12154	0.8
235.11238	0.4
243.10303	1.0
243.13737	0.8
245.11630	0.4
257.15363	2.8
267.13794	0.5
285.14789	4.4
295.16821	0.8
303.04971	1.4
303.15656	0.4
313.17966	1.6
345.16953	14.7
346.17236	0.8
355.11368	0.6
373.20059	41.2
374.20474	1.6
391.21118	100.0
392.21423	5.4
446.15552	0.4
448.62949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.344
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05526	0.5
69.03425	1.7
69.21407	1.5
69.21810	0.7
78.33485	0.3
79.05490	1.0
81.03413	1.4
81.07037	0.6
85.02908	3.4
87.00818	1.7
91.05479	1.3
93.07027	1.5
95.04926	0.5
95.08613	1.1
97.02885	2.1
97.03420	0.3
103.05450	1.3
105.01832	2.1
105.07034	1.2
105.36299	0.4
107.04961	2.3
107.08593	1.5
109.02873	1.2
109.10133	0.4
111.08094	0.4
117.07008	0.6
119.08586	1.4
121.02888	0.4
121.06507	0.7
121.10132	6.9
121.10974	0.5
127.03907	2.0
131.04900	0.7
133.02878	0.7
133.10141	0.7
135.04443	0.6
137.05980	0.9
137.13298	0.5
139.11188	0.8
145.04977	1.1
147.04416	0.5
149.02303	0.5
149.06009	1.1
151.07542	1.3
153.05479	0.5
159.02843	0.4
163.03891	23.0
163.07553	1.6
164.04303	0.4
165.05452	3.4
169.01341	1.0
169.10135	0.5
175.03928	0.8
175.07591	1.3
177.05458	44.6
177.09102	1.0
178.05835	1.0
179.07062	1.1
187.07524	0.7
189.05486	1.0
189.09122	0.5
191.07022	15.3
193.08636	1.1
195.06537	1.6
201.05550	0.5
201.09138	1.4
203.10764	0.6
203.59695	0.4
205.05003	0.7
207.06500	1.1
208.06784	0.6
211.11194	0.6
212.08276	0.6
215.07176	0.4
215.10600	0.5
217.08612	2.4
219.10156	0.6
223.05983	1.1
225.12723	0.4
227.10683	1.6
229.08630	1.2
229.12154	0.8
235.11238	0.4
243.10303	1.0
243.13737	0.8
245.11630	0.4
257.15363	2.8
267.13794	0.5
285.14789	4.4
295.16821	0.8
303.04971	1.4
303.15656	0.4
313.17966	1.6
345.16953	14.7
346.17236	0.8
355.11368	0.6
373.20059	41.2
374.20474	1.6
391.21118	100.0
392.21423	5.4
446.15552	0.4
448.62949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17771	1.4
70.88924	0.2
73.02927	0.5
73.06556	0.6
77.03934	0.6
79.05489	4.0
87.04463	100.0
88.04812	0.8
89.06027	3.2
91.05466	1.3
93.07036	0.7
95.04965	1.9
103.04797	0.2
103.05463	3.7
105.04528	0.8
105.07024	78.2
106.07363	1.6
113.00027	0.6
114.03798	0.4
116.02713	0.2
117.07020	0.4
117.09155	0.3
119.04898	0.4
119.08552	0.3
121.06499	3.0
125.00008	0.6
129.07004	0.7
131.07065	1.8
131.08560	2.8
133.08586	1.6
133.10146	0.3
136.05061	0.2
139.01541	2.5
145.06508	0.2
147.08057	1.8
149.09575	0.4
158.06427	0.3
165.09056	0.6
173.09567	0.2
175.09679	0.8
175.11224	0.3
177.11276	0.5
180.07639	0.4
181.10101	0.3
183.04236	0.4
193.10577	0.2
202.08948	0.3
209.13243	0.3
219.12253	2.8
223.11142	0.7
224.10205	0.3
225.12712	4.3
249.12599	0.3
251.14294	6.7
252.14830	0.4
253.15976	1.1
263.14853	0.4
267.13766	0.4
269.15463	1.3
283.41922	0.2
283.84082	0.2
295.16891	0.3
311.16412	0.2
313.17813	0.8
317.03516	0.2
327.17346	0.9
329.15424	0.3
329.18982	3.1
330.19406	0.3
336.20142	0.2
373.21506	1.8
412.71664	0.2
477.27805	1.0
489.27078	0.5
593.32794	0.8
697.38379	0.3
818.48163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99878	0.2
59.05005	0.4
59.41353	0.2
60.39107	0.2
67.05511	0.3
69.75259	0.7
73.02901	0.5
73.06561	0.4
75.77679	0.2
77.03953	0.4
79.05490	4.0
80.24014	0.2
81.72993	0.2
87.04462	100.0
87.99999	0.2
88.04809	0.7
89.06023	2.8
91.05473	1.5
93.07069	0.4
95.04972	1.8
103.05457	3.3
105.04523	0.8
105.07024	67.8
106.07358	1.2
112.99998	0.7
114.03788	0.5
117.09168	0.3
119.04925	0.3
119.08545	0.4
121.06489	2.9
124.99984	0.5
129.07018	0.4
131.07037	2.2
131.08554	2.8
133.08615	1.6
139.01538	1.6
147.08047	1.8
149.09680	0.3
158.06421	0.3
165.09058	0.7
166.07800	0.3
173.09526	0.4
175.09666	0.5
177.11258	0.4
180.07727	0.6
181.10094	0.4
183.04169	0.4
202.09004	0.3
209.11574	0.3
219.12259	3.8
223.11194	0.8
225.12714	3.8
249.12692	0.5
251.14294	4.9
252.14590	0.3
253.15871	0.7
263.14746	0.6
267.13867	0.4
269.15350	1.6
313.17957	0.8
327.17270	1.0
329.18951	3.7
373.21634	1.6
476.53152	0.3
477.27634	0.9
489.26468	0.5
575.71613	0.3
593.32593	0.8
818.47925	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	818.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	55.8
67.05499	1.8
69.56219	1.1
73.02900	1.2
73.06550	2.5
79.05504	8.6
87.04459	4.6
89.06021	7.3
91.05461	11.0
93.07030	2.5
95.04953	5.3
103.05460	8.0
103.07571	51.0
105.04544	1.6
105.07025	100.0
106.07337	3.3
107.04943	2.1
113.40231	1.2
116.06280	1.3
117.07014	1.6
117.09134	1.4
119.08578	5.6
121.06486	14.9
125.00056	1.2
127.01519	1.5
129.06955	4.2
131.08553	7.6
133.08586	5.3
137.64268	1.3
147.04346	1.7
147.08044	32.4
147.10127	20.4
149.09619	7.0
161.11647	1.2
172.91579	1.3
177.11087	1.7
178.53670	1.3
184.07346	2.6
191.12675	2.0
207.11729	1.4
223.11040	2.0
225.12718	20.3
251.14240	3.1
269.15308	2.0
287.04132	1.3
288.23993	1.3
313.17914	1.4
373.21588	4.8
669.22614	1.4
818.49268	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	818.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	58.4
67.05466	1.1
70.99333	1.0
73.02909	2.8
73.06548	2.8
77.03927	1.1
79.05489	6.9
81.07066	1.7
86.09684	1.6
87.04491	2.5
89.06010	7.9
91.05484	10.8
93.07032	3.0
95.04961	3.4
103.04873	1.1
103.05430	6.3
103.07574	49.5
105.07024	100.0
106.07357	2.0
107.04977	2.5
109.10107	1.2
117.07028	1.5
117.09142	2.1
119.08575	4.9
121.06505	12.6
126.97736	1.0
128.06223	1.6
129.07022	3.5
131.08553	6.4
132.05719	2.3
133.08591	6.9
133.10123	1.3
147.08052	36.2
147.10110	15.2
149.09596	9.5
161.11818	1.4
165.09096	1.1
177.11241	1.4
181.10152	1.2
184.07350	1.5
191.12733	2.0
196.16515	1.0
223.11073	2.8
225.12724	20.8
247.35269	1.0
249.12740	3.5
251.14182	2.1
269.15509	2.7
313.17975	1.4
373.21399	4.9
387.19687	1.1
437.83804	1.2
589.89154	1.2
632.84241	1.2
818.49457	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	819.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	0.3
71.42973	0.2
77.85056	0.3
78.03445	0.4
79.05487	0.4
80.05006	3.6
87.34586	0.2
89.05996	0.3
91.05499	0.2
93.07046	0.2
94.04162	0.2
96.04475	2.7
105.07008	0.5
122.03632	0.4
124.03940	100.0
125.04295	1.1
133.10144	0.3
137.05963	11.1
138.06212	0.3
165.32996	0.2
182.15323	0.5
205.52946	0.2
293.29822	0.2
306.20615	0.8
514.24310	26.0
515.24463	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	820.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67053	0.2
58.60963	0.2
59.04989	0.2
71.90974	0.2
73.02908	0.2
73.06545	0.7
77.03928	0.9
79.05485	5.1
79.05940	0.3
87.04460	5.5
89.06024	33.4
91.05484	2.3
93.07014	0.6
93.38809	0.2
95.04411	0.3
95.04968	3.2
102.31588	0.2
103.05466	4.6
105.04601	1.3
105.07021	100.0
106.07358	1.7
107.04962	0.2
107.07061	0.7
113.05994	0.3
115.05451	0.4
116.06166	0.2
117.09091	0.6
119.04926	0.4
119.08575	0.6
121.06493	4.5
129.07022	1.1
130.08594	0.3
131.07063	1.7
131.08553	4.5
133.08592	23.4
133.10184	0.6
134.08879	0.4
145.06479	0.5
147.08055	2.1
149.09579	1.0
165.06978	0.3
165.09105	1.1
166.07730	0.3
169.10201	0.3
173.09596	0.7
175.09694	1.4
177.11203	8.9
177.12770	0.4
178.11499	0.3
179.08447	0.2
181.10126	0.2
184.07516	0.3
191.10661	0.4
209.11552	0.5
209.13330	0.3
221.13783	2.3
223.11101	0.9
225.12721	7.0
227.12576	0.2
239.14731	0.4
249.12680	0.5
251.14278	7.2
252.14584	0.3
253.16075	1.3
255.15976	0.3
265.16354	0.5
267.13797	0.4
269.15350	2.9
271.15277	0.4
283.17313	0.4
295.16846	0.5
311.16489	0.3
313.18057	2.1
315.17786	0.4
327.17255	1.3
329.18964	6.4
330.19107	0.2
355.20148	0.4
357.20364	0.6
359.20438	0.2
373.21646	3.5
401.22794	0.3
417.23959	0.3
419.24011	0.4
445.25699	0.3
447.26352	0.2
463.26575	0.5
477.27753	1.9
491.28192	0.6
507.29309	0.5
551.31818	0.4
595.34723	3.4
611.35284	0.2
655.27869	0.2
699.40955	1.3
820.48389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.2
66.40228	0.2
69.03442	0.2
73.02874	0.2
73.06549	0.8
77.03911	0.8
79.05483	6.5
81.03376	0.2
87.04460	4.9
87.05004	0.3
89.06020	26.5
91.05466	3.1
93.07048	0.7
95.04958	4.1
98.23486	0.6
103.05453	5.8
105.04595	1.4
105.07016	100.0
106.07376	1.8
107.07050	0.3
115.05408	0.3
116.06161	0.2
117.07026	0.4
117.09156	0.4
119.04946	0.5
119.08537	0.7
121.06492	5.1
128.06221	0.3
129.06987	1.1
130.07745	0.2
130.08650	0.6
131.07043	2.0
131.08545	3.8
133.08588	18.0
139.01460	0.2
145.06500	0.3
147.08023	2.1
149.09578	0.6
165.06975	0.4
165.09062	0.8
166.07701	0.4
173.09572	0.4
175.09625	1.4
175.11084	0.4
177.11198	8.0
179.08456	0.3
181.10042	0.4
190.34059	0.2
192.09308	0.3
207.11784	0.2
209.11472	0.2
209.13222	0.5
219.12119	0.3
221.13820	1.5
223.11180	0.9
225.12709	6.0
227.12712	0.3
235.12981	0.2
251.14299	7.4
253.15936	1.6
265.16428	0.4
267.13815	0.4
269.15344	2.4
271.15350	0.5
283.17365	0.7
295.16849	0.5
311.16293	0.4
313.18021	1.4
315.17804	0.3
319.58148	0.2
327.17273	1.3
329.18936	4.9
330.19193	0.3
353.18649	0.3
355.20282	0.3
357.20428	0.4
359.20508	0.2
371.19623	0.3
373.21585	3.9
375.21490	0.3
401.22958	0.3
417.24200	0.3
419.24210	0.3
445.25720	0.3
463.26834	0.4
477.27859	2.0
491.28171	0.9
507.29291	0.7
551.31830	0.6
595.34631	3.3
699.40485	1.2
783.02686	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	820.5979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	29.3
59.05010	1.9
67.05482	1.2
67.59113	1.0
67.59518	1.0
69.07063	2.7
69.43456	4.1
71.08631	24.2
71.50693	1.1
73.02895	2.2
73.06553	10.2
78.72150	1.0
79.05522	1.2
83.08635	1.5
85.10181	15.3
87.04470	13.1
89.06029	100.0
91.05429	1.0
91.07590	1.8
97.10180	2.7
99.11726	3.8
105.07027	5.4
107.07051	3.2
111.11716	3.1
113.13245	1.6
117.09132	11.8
124.99979	1.5
130.08640	2.3
131.07031	3.8
133.08600	51.2
161.11768	2.0
169.19557	2.7
175.09706	2.5
177.11221	20.3
184.07341	5.3
213.22095	4.0
219.12303	1.7
221.13876	4.0
233.06870	1.2
257.24823	7.0
283.17569	2.9
301.27347	2.9
596.28418	1.3
607.42566	1.4
630.72333	1.2
679.15149	1.4
782.79810	1.1
803.56152	1.6
820.58936	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	823.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16566	7.4
68.39365	5.7
68.99794	8.7
69.29301	34.7
75.38340	5.9
83.54191	5.7
91.05476	15.8
95.04968	8.0
98.23463	9.6
103.05459	54.8
105.03393	16.4
105.07030	6.5
115.05434	32.0
115.09608	6.8
129.07018	10.5
131.04921	96.4
138.01833	11.0
144.42210	6.1
157.06512	12.7
166.01300	11.9
167.02248	7.9
171.04395	14.5
172.07573	17.7
178.01376	27.1
184.07327	12.7
188.98181	8.1
204.02946	8.2
206.99211	12.4
210.05511	11.9
215.04480	13.2
218.00891	8.4
220.73294	5.8
228.02936	21.0
238.04994	6.6
243.04152	6.3
246.03999	16.1
252.99759	27.1
255.06558	12.4
256.06070	8.8
264.06351	11.1
267.01334	21.6
268.00800	15.2
270.07590	29.2
271.03479	19.8
282.07507	26.6
289.04556	57.0
292.05966	13.1
320.05240	26.2
324.08704	10.1
334.06943	10.5
350.09650	7.9
352.08044	13.6
354.05933	15.6
362.06622	19.6
365.23215	6.8
375.09747	22.8
390.05988	22.4
392.07788	8.7
422.08954	17.1
424.11676	19.3
426.56580	6.3
438.13074	15.0
440.11154	7.9
442.12564	18.2
448.10718	11.5
466.12653	27.7
467.13562	7.2
494.12192	26.9
508.13867	18.0
526.15118	73.2
536.08118	15.5
537.00848	6.9
554.14392	69.7
602.16199	12.2
630.16272	68.2
640.14417	17.0
699.16351	30.2
717.17108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01357	1.8
68.99797	2.6
69.37776	3.1
69.38173	6.4
70.03551	1.6
76.49349	1.9
80.67685	2.1
84.39828	1.9
91.05476	5.8
92.01364	2.3
92.99792	2.8
95.04951	4.0
103.05463	33.6
105.03397	5.8
105.04514	3.0
115.05444	27.2
117.06960	2.4
119.68445	1.9
131.04922	84.3
138.01895	4.0
142.06491	17.0
144.08032	2.2
148.00252	3.0
154.01317	3.2
166.01390	7.1
167.02147	4.3
170.05988	13.7
172.07591	4.3
178.01317	16.8
182.06036	2.0
184.02438	3.2
184.07726	3.2
185.03195	4.5
190.01308	2.9
194.00858	2.1
196.07542	2.4
200.01962	3.9
204.03073	2.1
211.03917	2.5
214.03488	5.7
218.00888	4.4
222.00389	3.7
224.07153	3.5
225.05408	2.8
236.07251	2.2
238.04980	7.8
240.01451	2.9
248.01894	3.7
249.99817	5.8
252.06567	7.8
256.06128	2.1
264.01385	2.2
266.02924	2.4
268.00839	26.9
270.07632	5.4
271.08398	3.3
272.09317	2.9
273.99823	4.3
280.06049	85.7
281.06488	3.4
282.07523	14.3
292.00800	6.0
296.05771	2.5
298.06918	2.7
301.99298	2.8
304.05963	2.5
306.02414	7.2
306.07584	5.0
308.05563	18.2
324.08633	2.3
326.06601	7.5
332.05469	2.5
352.08170	7.4
354.06204	12.9
364.04459	3.7
366.09738	6.3
380.07657	6.8
384.12305	26.7
392.07755	5.8
400.11890	2.1
406.05740	3.5
410.08569	9.4
410.13992	4.9
412.11771	100.0
413.12314	7.1
414.13333	4.7
438.13315	2.9
440.11139	7.5
454.12863	4.0
456.14285	6.0
468.10614	13.2
471.01941	2.4
484.13980	2.3
520.10144	6.1
552.12903	7.5
687.11584	2.7
701.17053	1.9
773.16815	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	824.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	2.7
68.39909	0.6
69.35739	2.5
69.36137	1.5
73.02918	2.4
78.99520	1.1
79.05486	6.1
80.30614	0.7
81.07046	0.8
86.09710	2.1
87.04465	4.5
89.06039	8.4
91.05478	13.9
91.06034	0.5
93.07068	1.3
95.04960	4.2
103.05468	8.4
103.07583	2.0
105.04568	1.4
105.07028	100.0
106.07337	1.3
107.04974	2.0
109.17184	0.7
111.41833	0.8
113.00014	3.4
116.06271	0.9
117.06997	1.2
117.09120	1.1
119.04907	0.9
119.08601	6.6
121.06499	12.1
121.10107	0.8
124.99979	1.3
127.01568	28.7
128.06244	1.2
129.06996	5.0
131.07042	1.2
131.08568	11.8
132.05743	1.2
133.08623	6.1
133.10120	1.8
133.36940	0.7
135.08138	0.9
139.01558	10.5
142.85330	0.6
145.06487	1.2
147.08049	43.2
147.38524	0.7
148.08406	1.1
149.09618	8.1
153.03113	36.0
166.07869	0.7
173.09567	1.1
175.09724	0.9
177.11240	1.7
181.10138	1.6
182.68509	0.8
183.04231	4.8
184.07349	7.2
191.10764	0.8
197.05743	16.6
223.11253	2.3
225.12730	23.0
227.06754	1.8
241.08351	5.8
249.12657	3.5
251.14340	2.9
259.09543	1.0
267.13721	0.8
269.15417	2.7
271.09421	2.6
285.11072	2.0
295.17139	0.8
303.12289	0.9
315.12064	1.5
329.13913	1.0
329.18671	1.2
347.14554	1.3
359.14551	0.8
373.21655	7.2
391.17538	1.3
435.20062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.2
61.51459	0.8
63.59202	0.8
67.05539	1.0
69.16209	4.3
69.16620	1.9
71.04984	1.2
73.02908	2.6
73.06548	1.6
74.13567	0.9
77.03905	1.1
78.99515	1.2
79.05492	7.3
81.82934	0.8
86.09718	1.0
87.04450	3.5
89.06021	10.9
91.05474	14.1
93.07018	1.8
94.82905	0.8
95.04963	2.6
101.50170	0.7
103.05460	6.2
103.07562	2.0
105.07022	100.0
107.04979	2.2
113.00034	4.1
115.05408	1.0
116.06255	1.2
117.07007	1.8
119.04945	1.0
119.08546	6.5
121.06510	11.0
125.00014	1.9
127.00603	1.8
127.01558	31.3
128.06236	2.0
129.06998	3.8
131.06985	1.1
131.08551	8.5
132.05710	1.1
133.08572	4.8
135.07928	0.9
139.01558	11.5
145.06485	1.4
147.08040	46.1
148.08350	1.3
149.09641	7.4
153.03104	34.2
166.07840	1.2
169.48430	1.0
173.09567	1.1
175.09706	1.2
177.11212	1.8
181.10071	1.8
183.04231	4.0
184.07339	5.4
197.05727	13.3
208.08876	1.1
223.11169	2.9
225.12723	24.7
227.06732	1.3
241.08363	2.7
249.12689	5.2
251.14323	2.5
259.96185	0.9
269.15222	1.8
271.09409	2.3
285.10919	2.0
303.12100	1.1
313.17932	1.3
315.12000	1.3
329.18414	0.9
333.65408	0.9
347.14508	1.2
355.20923	0.9
359.14975	1.0
373.21646	3.5
442.83292	1.1
501.15924	0.9
851.95923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80850	0.2
69.81197	0.3
73.02901	0.5
73.06551	0.8
81.03421	0.1
87.04458	100.0
88.04790	0.9
89.06023	2.5
90.29921	0.1
93.87258	0.1
95.05002	0.1
98.22665	0.1
105.06991	0.2
107.25768	0.1
113.06040	0.2
115.07502	0.1
117.09117	0.8
127.90904	0.1
131.07025	3.1
131.08519	0.1
133.08603	1.4
136.06218	0.4
147.04416	0.2
149.08089	0.2
152.05705	0.2
158.87640	0.1
161.11684	0.3
175.09625	0.7
177.11209	0.4
193.10678	0.3
219.10088	0.2
219.12242	3.6
263.14908	0.6
297.18088	0.1
307.17398	0.1
410.12848	0.2
437.11984	0.3
562.68695	0.1
739.67706	0.1
824.48706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	3.2
65.03942	5.2
65.47882	2.8
67.05503	80.5
67.52307	2.9
69.03421	8.8
69.07066	24.5
69.07893	12.4
69.08318	9.5
73.02897	3.4
79.05492	61.4
81.03412	5.4
81.07053	70.7
82.08900	3.0
83.04972	6.8
83.08627	12.3
84.20449	3.0
85.02911	5.6
85.06553	4.0
87.04476	14.8
88.73513	3.1
89.06022	7.6
91.05480	51.6
93.07040	53.6
95.04976	17.0
95.08605	47.1
97.02898	5.5
97.06554	3.8
97.10191	8.2
103.05473	4.9
105.04514	5.5
105.07023	100.0
106.07359	7.5
107.04999	4.8
107.08589	33.6
107.30838	3.0
109.06474	5.7
109.10162	22.6
110.30347	3.0
111.84869	2.9
117.07015	16.7
119.08579	24.3
121.06492	3.5
121.10155	20.7
123.08031	3.5
123.11680	4.9
125.09660	5.9
127.03911	4.5
129.07033	6.1
131.08554	24.0
133.08617	6.2
133.10144	24.1
135.08076	5.4
135.11726	7.8
143.08572	4.4
145.10075	17.5
147.11674	15.8
149.09613	7.9
149.13307	7.5
157.10175	3.9
158.91663	3.3
159.11687	14.1
161.13301	6.1
163.11337	3.5
169.10065	4.0
171.11583	7.1
173.11827	3.0
173.13283	11.0
201.16554	2.9
210.13702	3.2
227.12787	10.9
239.17902	4.3
257.18964	7.7
261.22137	9.0
269.17450	6.5
275.20041	36.1
282.48068	3.8
309.20636	3.2
335.25790	77.3
337.27191	3.8
348.88150	3.1
349.23743	35.5
354.13406	3.3
476.99036	4.2
489.35635	9.1
515.38336	3.3
569.42035	8.8
609.45062	38.9
627.46057	6.0
628.02502	3.6
711.61603	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	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	3.6
65.03917	4.5
67.05499	100.0
69.03424	5.9
69.07062	20.9
70.02235	1.6
70.94343	1.9
71.04980	5.2
73.02912	2.0
75.92374	1.5
79.05489	65.9
81.03411	8.8
81.07050	79.4
83.04977	8.0
83.08610	13.3
85.02901	3.6
85.06534	4.1
87.04454	5.6
89.06016	5.8
91.03933	2.4
91.05473	58.7
93.07034	72.3
93.23113	1.7
95.04952	14.6
95.08599	57.4
97.02859	3.6
97.06531	8.1
97.10172	5.4
99.08063	3.2
103.05458	2.1
105.04522	3.3
105.07019	62.0
106.07365	4.0
107.04935	4.0
107.08583	38.3
109.02886	3.0
109.06503	5.8
109.10132	33.0
111.08090	3.6
111.22897	2.2
117.07012	19.5
119.08563	28.7
121.06494	3.7
121.10130	32.4
123.08051	2.9
123.11662	3.5
125.09626	4.1
127.03907	3.4
128.06169	2.0
129.07024	7.8
131.08549	23.3
133.10115	22.6
135.08044	2.6
135.11690	14.1
143.08517	6.9
145.10109	17.4
147.11693	11.2
149.09581	4.6
149.13287	9.1
157.10088	8.4
159.11653	12.4
161.09601	2.9
161.13254	5.8
163.11119	2.0
163.14799	2.0
171.11719	5.0
173.09532	2.6
173.11803	3.8
173.13290	7.3
175.11217	2.4
175.14830	4.1
177.12671	2.0
183.11592	3.3
184.07343	5.7
185.13200	4.4
187.14725	3.2
199.14883	1.8
203.14334	2.3
209.13264	2.9
217.15744	2.5
219.17479	3.6
227.12708	4.5
229.14384	12.5
239.18112	2.1
243.21181	3.0
257.18973	5.9
261.22192	7.6
269.17429	5.1
275.20044	17.2
309.20560	6.6
317.24762	1.9
333.24387	2.5
335.25784	96.0
336.26077	3.8
349.23694	15.2
489.35867	15.7
515.36816	3.2
529.38733	19.3
569.41833	22.8
609.44940	17.9
627.46173	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	826.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42014	0.3
70.06567	0.3
80.05005	2.9
82.62711	0.3
83.07357	0.5
85.02918	0.4
90.18003	0.3
91.05482	0.3
110.06001	0.6
113.02365	0.6
120.04450	4.6
121.02840	0.8
131.04871	0.4
144.04234	0.3
145.02818	0.3
148.02705	0.5
148.03918	9.3
150.05562	0.3
152.07005	0.9
153.01791	2.2
171.02921	0.3
175.03996	0.4
180.06540	37.8
181.01335	2.5
181.06876	0.9
194.08000	0.3
195.02888	1.0
199.02348	3.4
211.05980	0.6
212.09160	35.6
213.09515	0.6
225.05408	0.4
230.10219	29.6
231.10471	0.7
239.06924	0.3
243.06561	0.6
270.05157	0.4
271.05981	6.7
272.06430	0.5
279.10178	0.4
282.08914	0.4
285.07550	1.4
286.08270	0.4
296.07007	0.5
299.05475	50.5
300.05978	1.8
301.10648	1.9
313.07016	2.3
314.07785	9.4
314.11725	0.5
328.09229	0.3
329.10162	100.0
330.10495	3.7
389.86838	0.3
409.05841	28.3
410.06036	1.3
418.18613	6.8
419.19092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.4
61.46117	0.2
61.68301	0.2
69.03423	0.3
69.75739	0.8
70.06607	0.2
73.02920	1.0
73.06548	1.3
76.09738	0.2
86.09718	0.3
87.04466	100.0
88.04802	0.6
89.06029	25.0
91.07604	0.2
98.23380	0.4
98.97606	0.3
107.04948	0.6
107.07081	0.6
113.06021	0.5
115.07520	0.2
117.09141	1.7
120.65434	0.2
124.03944	0.3
127.01548	0.6
128.98685	0.2
130.05078	0.2
130.08688	0.3
131.07036	4.6
133.08601	16.0
136.06200	0.5
145.02808	0.3
149.02336	0.3
151.03880	0.7
153.03067	0.5
154.03500	0.2
159.10165	0.2
161.11716	0.5
175.09691	2.0
175.11005	0.3
177.05508	0.4
177.11209	5.4
182.86919	0.2
197.05827	0.4
219.01857	0.3
219.12245	3.9
219.14241	0.3
221.13863	0.9
235.85956	0.2
237.02977	0.2
263.15042	0.2
264.47186	0.2
271.06015	0.4
295.53195	0.2
480.12161	0.3
497.13281	0.3
544.54614	0.3
591.35968	0.2
809.47510	0.4
826.50006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01789	0.5
65.69560	0.6
68.99776	7.4
79.01833	0.6
83.01338	6.7
91.05480	1.1
95.04953	0.9
103.05471	10.0
105.03399	0.6
105.04459	0.6
105.07027	8.8
107.01299	1.9
108.99218	1.5
109.02848	0.9
131.04921	26.7
132.05234	0.8
135.00784	0.8
137.02332	0.8
139.00247	1.2
141.07014	0.6
145.06566	0.6
149.02243	1.3
151.00221	2.0
153.01814	5.6
153.06964	1.0
155.04933	0.8
165.01744	0.6
165.06921	1.7
166.99745	2.1
167.03488	0.7
169.01311	29.2
173.05956	0.6
177.01778	4.2
181.01317	7.5
181.06407	0.9
183.04361	1.5
185.00777	4.0
190.99747	1.0
193.01315	1.0
193.06499	1.0
194.99228	17.3
195.02838	1.7
197.00801	11.0
197.06078	0.5
199.02345	10.1
205.01300	2.5
209.00833	0.6
209.05838	1.2
213.00285	100.0
214.00607	1.7
221.00786	2.1
223.02377	2.0
225.00215	0.9
226.99695	0.9
229.04810	0.7
233.00789	1.5
237.00316	1.0
237.05328	1.5
239.06866	0.6
245.00731	2.1
249.00227	0.8
251.01839	1.3
255.06532	1.7
257.04419	1.8
257.08090	0.8
261.00211	1.4
263.01691	0.5
264.99670	1.4
265.05026	2.8
271.06049	3.5
273.00250	1.7
273.07562	34.7
275.05429	1.0
279.01364	0.7
280.06247	0.6
283.01202	3.0
283.05975	15.5
285.07550	7.2
291.01349	0.7
299.05478	92.0
300.05820	3.1
300.99756	7.5
301.99945	0.7
307.06406	0.8
310.98044	1.0
319.00867	6.4
328.99295	6.4
335.05334	0.8
347.00345	6.3
353.78998	0.6
359.05518	1.0
361.03369	0.7
365.01312	1.9
371.96658	0.6
387.04980	0.7
405.06021	2.9
413.21027	0.5
415.04422	1.2
423.06927	1.2
433.05530	20.7
434.06058	0.9
451.06549	8.3
491.11398	0.7
495.11032	0.7
509.12506	3.4
519.10736	1.7
527.13928	0.6
537.11792	18.3
538.12073	1.8
555.12738	2.1
705.11530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85622	0.6
66.06449	0.5
68.99786	5.7
73.11993	0.7
73.68122	0.5
75.94514	0.6
83.00922	0.6
83.01336	5.0
92.99802	0.7
93.66815	0.5
95.04962	1.0
96.61687	0.5
103.05463	9.3
105.03355	1.1
105.07026	8.3
107.01292	1.5
108.99238	1.9
120.99255	0.6
123.00717	0.7
131.04919	27.6
132.05235	1.0
138.01869	0.8
139.00232	0.6
149.02315	1.7
153.01793	5.7
153.06897	0.9
155.04941	0.9
165.07024	0.7
166.99730	1.7
169.01320	26.4
170.01624	0.8
177.01797	3.9
181.01326	4.1
181.06346	0.9
183.04399	2.1
184.35025	0.6
185.00887	3.7
189.01732	0.9
193.06352	0.8
194.99217	17.8
195.02917	1.7
197.00803	10.1
199.02388	7.1
205.01372	2.0
209.06013	1.0
213.00284	100.0
214.00639	2.8
221.00842	1.5
223.02414	1.7
225.00183	1.0
233.00734	1.6
243.62599	0.8
245.00786	1.7
251.01862	1.5
255.06615	1.5
257.04410	2.0
261.00302	1.9
264.99728	1.1
265.04953	2.1
271.05927	2.2
273.00262	1.8
273.07547	27.2
274.07919	1.4
282.07571	0.7
283.00833	2.7
283.05966	12.1
284.06284	0.7
285.07477	4.2
299.05481	92.4
300.05927	3.6
300.99765	7.4
307.05911	0.7
317.06708	0.6
319.00778	7.0
328.99316	5.8
335.05469	1.9
347.00259	6.3
347.93546	0.7
365.01199	1.0
393.25705	0.7
405.06094	2.9
415.04443	1.6
423.07288	1.2
433.05563	17.3
434.05869	0.9
451.06491	6.5
491.10709	0.8
509.12283	2.4
519.10944	0.9
527.13898	0.9
537.11810	17.2
538.12341	1.4
555.12604	1.6
606.86115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	0.9
69.03419	0.5
71.04987	0.7
73.02914	1.8
73.06551	3.4
87.04465	22.2
89.06026	100.0
90.06348	0.8
91.07603	0.4
107.07056	2.5
109.73055	0.3
113.06013	0.8
115.07558	0.5
117.09135	2.7
129.10258	0.3
130.08649	0.6
131.07047	5.6
133.08595	60.9
134.08923	0.8
151.09669	0.3
157.08601	0.4
159.10161	0.5
161.11700	0.9
175.09641	4.1
177.11208	20.7
219.12271	1.4
221.13843	4.1
223.15367	0.5
239.14798	1.0
265.16327	0.6
283.17422	0.8
309.19037	1.0
775.18219	0.4
784.37549	0.3
811.48022	0.8
828.51501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05019	1.4
61.02925	5.4
62.83778	0.7
65.03970	0.8
65.12552	0.6
67.05501	5.8
67.19530	0.7
69.03416	5.0
69.07071	1.6
69.23890	3.7
73.02917	8.2
73.06546	1.0
77.17426	0.8
79.05494	9.4
79.49261	0.6
81.03430	1.8
81.07064	4.3
85.02897	5.4
87.04453	4.8
89.06012	3.4
91.03968	3.1
91.05480	7.9
93.07053	6.4
95.04984	2.4
95.08607	3.4
97.02885	4.9
99.04401	0.8
101.02405	1.4
103.05466	2.1
105.04599	0.7
105.07029	28.6
106.07382	2.0
107.00125	0.8
107.08564	4.3
109.02916	0.7
109.10165	1.2
117.07024	1.5
119.08558	4.6
119.14474	0.9
121.10165	2.0
124.99969	1.7
127.03973	1.1
129.05513	0.8
131.08592	2.7
133.08661	1.5
133.10150	3.1
135.11714	2.0
139.01558	1.2
142.91124	0.7
145.10126	1.5
147.07993	1.5
147.11705	1.4
156.16388	0.7
159.06630	0.8
159.11772	1.0
169.24120	0.8
177.11232	1.4
184.07419	2.3
185.04236	1.1
239.11815	0.7
243.08354	4.4
251.14481	1.2
259.20947	0.8
301.09085	2.7
313.09067	0.9
315.10614	2.5
317.21021	2.0
373.11380	0.8
411.29016	0.7
429.17435	0.9
465.21271	2.1
472.68607	0.8
525.23279	1.9
535.28711	17.2
607.31073	1.7
658.13983	0.8
759.43372	0.8
789.66382	0.8
829.50635	100.0
830.50964	10.1
846.35901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	9.5
67.05495	11.6
69.03401	6.9
69.07066	4.0
71.36008	1.3
72.06166	1.3
73.02905	11.8
74.18643	1.3
79.05489	8.0
81.03427	4.8
81.07049	12.2
85.02896	8.9
91.03952	8.7
91.05486	6.3
93.07030	8.9
95.05005	2.2
95.08608	7.8
95.75700	1.4
97.02879	10.9
97.06520	1.7
99.04435	1.7
101.02386	2.4
103.03912	2.1
105.07018	9.0
107.08595	7.9
109.02856	1.6
109.06506	1.5
109.10119	1.8
118.48795	1.3
119.08614	3.0
121.10169	3.7
125.11884	1.3
127.03918	3.7
131.08600	1.8
133.10149	2.7
141.28494	1.3
145.10146	1.4
184.07439	1.5
185.04219	2.1
243.08502	5.0
307.35025	1.3
323.52728	1.4
333.20471	6.0
335.25897	1.7
446.85492	1.4
448.66110	1.5
519.29205	8.1
551.28406	5.9
712.17572	1.6
829.50629	100.0
830.51044	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	830.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	7.2
60.08146	2.8
69.07054	5.3
71.04985	2.8
71.07342	2.3
71.08626	47.7
73.02898	10.1
73.06554	3.8
78.99495	3.4
79.05478	7.4
85.10175	26.1
86.09700	18.4
87.04457	33.0
89.06017	35.8
91.05467	20.0
92.34573	2.6
93.07028	10.2
95.04961	4.0
95.08572	2.9
103.05452	3.9
103.07573	5.7
105.07024	39.9
107.04931	5.8
107.08569	4.9
113.00025	11.3
115.07559	2.6
117.07036	4.4
119.04879	2.8
119.08559	7.9
121.06498	23.8
121.10151	3.8
124.99997	16.4
127.01560	79.3
127.14854	2.7
131.07030	13.4
131.08571	6.0
133.08588	17.4
135.08064	6.0
135.11729	2.9
139.01555	27.4
147.08026	15.2
147.10103	2.8
149.09535	3.3
153.03104	100.0
159.11749	2.6
163.11179	5.6
165.09103	8.7
175.09654	8.0
177.11227	6.6
183.04199	7.9
184.05687	3.7
184.07330	62.5
191.10667	4.9
197.05730	45.1
209.11580	3.8
211.13254	3.5
219.12135	2.7
227.06749	5.7
241.08322	11.8
247.20618	22.9
271.09351	7.1
273.22092	5.9
285.10953	7.9
291.23132	39.7
315.12207	3.8
317.24615	3.3
323.19016	2.9
335.25690	3.7
373.21960	2.7
383.03809	2.4
391.17035	3.1
518.20453	3.0
524.99213	2.7
740.37006	2.5
813.47443	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	831.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55914	0.6
69.03419	1.4
69.71557	0.8
69.71908	2.1
73.02924	0.8
81.03413	4.0
85.02877	1.4
91.05479	0.9
94.04182	0.8
97.02882	0.9
103.05465	1.3
105.07021	0.7
109.02875	1.5
115.05447	1.4
115.40410	0.6
117.06965	0.7
118.04152	1.8
119.04907	1.3
122.03683	1.6
123.04421	0.7
130.04164	0.9
131.04926	2.3
136.01581	0.9
137.05957	28.2
138.06357	0.9
145.06476	1.0
147.04349	1.8
151.03909	2.2
152.00980	1.0
154.02570	1.2
161.05962	2.0
162.06752	2.0
173.05930	2.3
175.03877	0.9
181.01337	1.0
182.02069	0.8
186.03160	1.0
189.06972	1.4
195.07898	0.6
197.04446	2.1
198.01579	1.2
201.05450	25.4
205.06497	3.5
206.07216	3.4
207.02859	1.0
212.51759	0.7
213.05469	2.6
217.06538	1.3
218.07156	1.4
219.08119	0.9
222.06775	1.2
223.07562	0.8
231.06470	2.4
233.05983	2.5
234.06737	8.6
235.07480	2.2
236.04698	0.8
237.09109	1.4
244.05222	0.9
245.05969	2.6
246.06650	1.1
247.07506	1.0
248.08247	1.3
249.09155	3.7
250.06248	1.8
251.07042	1.2
253.04922	1.8
254.05714	5.8
261.05457	1.6
262.06229	10.4
263.06964	2.1
264.07700	1.2
265.08502	4.0
269.04410	1.2
271.05978	14.1
273.05362	1.9
274.06113	1.4
277.08560	10.0
279.06454	1.9
280.07376	0.9
281.04358	1.1
282.05206	5.6
282.08182	0.9
283.05887	2.0
284.14459	0.7
287.07086	0.9
289.05032	1.3
290.05682	16.8
291.06158	1.1
292.07230	2.0
293.08038	3.7
294.08899	2.4
295.09668	1.8
299.05447	10.8
300.06262	17.1
304.07275	0.9
305.08051	27.2
306.08612	1.0
307.06427	1.1
307.09576	4.0
307.45621	0.6
309.11145	1.8
315.08594	100.0
316.08945	3.3
319.09613	2.0
321.07703	0.8
322.08240	2.7
325.10703	11.6
328.80292	0.7
337.10660	52.5
338.10934	2.6
355.11761	9.0
469.14667	2.6
481.14856	1.7
499.15796	2.5
517.17139	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	832.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	0.2
63.02370	0.4
69.03425	2.4
69.06448	0.6
69.06853	0.5
71.04990	6.3
73.02901	0.3
74.86374	0.2
75.04475	0.4
81.03403	0.6
83.04966	0.7
85.02898	8.7
86.03202	0.1
86.41432	0.2
87.04475	0.2
89.03909	2.6
91.05470	0.8
95.04939	0.2
96.52213	0.2
97.02888	4.0
99.04433	0.6
105.07014	0.2
109.02827	0.3
111.04442	0.5
111.05525	0.2
117.03375	7.7
119.04939	0.4
121.06492	0.2
127.03907	0.7
129.05467	2.5
129.22081	0.2
131.04965	0.3
134.03636	0.6
135.04388	0.5
136.03540	0.1
137.05991	0.2
145.02837	35.1
146.03198	0.5
147.06473	1.3
149.05966	3.3
151.07536	1.7
163.03854	0.6
163.07510	0.3
165.09097	0.3
177.05453	100.0
178.05806	2.1
179.07014	0.7
181.05023	0.2
181.08556	0.6
182.95319	0.2
186.05466	0.4
192.84610	0.2
193.08549	0.6
195.06506	1.7
217.08562	0.2
235.09682	0.2
241.08553	0.2
259.09647	0.3
261.11206	0.7
277.10574	0.6
279.08835	0.3
279.12195	0.3
287.09070	0.4
295.98743	0.2
305.10159	0.5
321.09772	0.9
323.11249	1.8
339.10712	25.2
340.11057	0.9
485.16418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.5
63.02369	0.3
69.03427	1.8
71.01324	0.4
71.04990	7.2
71.40614	0.3
73.02907	0.4
81.03410	0.7
83.04970	1.9
85.02403	0.6
85.02901	9.7
89.03912	2.4
91.05434	0.3
93.69527	0.3
97.02889	4.1
99.04408	0.5
99.63116	0.2
101.02383	0.3
103.81508	0.3
109.02869	0.4
111.04429	0.8
117.03378	7.7
117.04198	0.6
119.05047	0.3
124.80606	0.2
127.03909	0.9
129.05463	2.2
134.03619	0.6
135.04501	0.3
137.05966	0.6
145.02843	33.1
146.03172	1.0
146.05962	0.3
147.06490	1.2
149.05980	2.8
151.03871	0.6
151.07471	0.6
163.03926	0.7
177.05461	100.0
178.05775	2.0
179.07095	0.2
181.04929	0.3
186.05357	0.3
195.06488	1.4
256.34326	0.3
264.58258	0.3
277.10782	0.4
287.09171	0.3
305.10062	0.4
321.09708	0.5
323.11139	1.0
339.10730	24.3
340.10980	1.0
349.88181	0.3
485.16690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.5
63.02369	0.3
69.03427	1.8
71.01324	0.4
71.04990	7.2
71.40614	0.3
73.02907	0.4
81.03410	0.7
83.04970	1.9
85.02403	0.6
85.02901	9.7
89.03912	2.4
91.05434	0.3
93.69527	0.3
97.02889	4.1
99.04408	0.5
99.63116	0.2
101.02383	0.3
103.81508	0.3
109.02869	0.4
111.04429	0.8
117.03378	7.7
117.04198	0.6
119.05047	0.3
124.80606	0.2
127.03909	0.9
129.05463	2.2
134.03619	0.6
135.04501	0.3
137.05966	0.6
145.02843	33.1
146.03172	1.0
146.05962	0.3
147.06490	1.2
149.05980	2.8
151.03871	0.6
151.07471	0.6
163.03926	0.7
177.05461	100.0
178.05775	2.0
179.07095	0.2
181.04929	0.3
186.05357	0.3
195.06488	1.4
256.34326	0.3
264.58258	0.3
277.10782	0.4
287.09171	0.3
305.10062	0.4
321.09708	0.5
323.11139	1.0
339.10730	24.3
340.10980	1.0
349.88181	0.3
485.16690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.323
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02378	0.3
69.03425	2.4
69.27983	0.7
71.01338	0.3
71.04990	6.5
71.37391	0.1
73.02908	0.2
75.04460	0.3
79.05518	0.2
81.03404	0.8
83.04974	0.6
85.02901	8.3
87.04463	0.2
89.03911	3.0
91.05473	0.9
92.02779	0.2
93.07037	0.2
95.04987	0.2
97.02892	3.7
99.04457	0.6
106.04177	0.3
109.02872	0.3
111.04433	0.7
117.03372	9.4
119.04952	0.7
121.06487	0.4
125.39650	0.1
127.03913	0.7
129.04549	0.3
129.05478	2.6
131.04906	0.3
134.03613	0.6
135.04373	0.6
137.05951	0.4
145.02840	37.0
146.03217	0.6
147.06538	1.1
149.05966	3.6
151.03876	0.3
151.07527	2.0
161.05815	0.2
163.03883	0.4
163.07518	0.4
165.09097	0.5
175.07462	0.2
177.05460	100.0
178.05803	1.7
179.07004	0.5
181.08563	0.6
186.05489	0.2
193.08568	0.7
195.06516	1.7
205.04871	0.2
214.78857	0.2
237.07617	0.2
259.09668	0.3
261.11182	0.4
277.10620	0.3
279.08612	0.3
279.12061	0.3
287.09131	0.5
305.10178	0.6
321.09790	0.8
323.11224	2.0
339.10724	25.9
340.11111	0.9
384.04297	0.1
425.90637	0.1
451.70007	0.2
485.16559	0.5
590.67212	0.2
599.11792	0.2
627.05597	0.2
637.18445	0.2
861.51550	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	833.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01836	1.3
68.99786	18.7
69.03432	6.1
70.06578	1.0
71.01343	0.7
71.04984	0.6
79.01852	0.6
81.03402	1.9
82.46951	0.6
83.01331	0.8
85.02899	1.4
85.05431	0.5
88.14491	0.6
91.05468	2.2
95.01305	1.8
96.04482	5.1
97.02885	2.5
99.00769	0.9
99.04431	1.6
103.05455	12.5
105.03416	0.7
105.07024	13.9
105.07736	0.9
109.02852	3.4
113.02357	3.0
115.03982	0.8
118.04159	1.8
119.04961	0.7
121.02869	0.9
123.00777	1.4
127.03909	7.1
131.04918	41.5
132.05264	1.1
135.00732	0.6
136.01544	1.1
137.05943	1.6
139.00226	3.9
141.01762	1.0
145.04958	13.3
147.04440	0.6
152.01033	1.1
153.01721	0.8
154.02579	1.1
155.04848	1.5
157.01297	3.8
157.06474	1.1
163.00212	5.9
165.01805	2.9
166.99753	5.6
169.01303	0.7
173.05969	2.1
181.01369	3.1
181.06505	0.7
182.02016	1.0
183.02916	1.0
183.04306	2.9
185.00807	28.9
186.01482	0.8
188.98062	0.9
190.99739	7.4
197.04384	2.3
197.06036	1.9
199.02399	0.8
201.05534	0.9
206.99306	3.0
209.00778	10.0
215.06981	1.0
225.00383	1.1
225.05428	3.2
227.01826	5.4
229.04907	0.7
234.98685	1.5
239.07063	1.1
243.06601	1.9
252.99837	6.3
253.04930	3.7
254.05611	3.5
267.06567	1.3
269.04404	1.3
269.08078	0.8
271.00912	3.4
271.05988	39.7
272.06409	1.4
281.04520	1.5
282.05176	7.2
283.05899	3.7
285.04047	1.0
286.04630	1.0
291.02655	0.8
293.04169	1.7
294.04980	1.0
295.05969	5.1
299.05511	12.3
300.06256	16.2
301.06857	0.8
311.05472	1.5
313.07025	14.6
313.10443	1.1
314.07538	0.8
315.08594	100.0
316.08896	3.3
321.03928	2.1
331.08102	1.1
339.04990	11.1
357.06030	14.7
375.07004	0.9
421.09198	0.8
439.10138	1.2
457.11017	1.0
465.07913	1.2
483.09109	1.7
501.10391	2.9
519.10486	0.8
565.11115	3.5
702.86981	0.7
833.31586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02355	0.4
65.03925	0.9
68.99780	0.9
69.03405	0.8
70.06580	0.2
71.01329	0.2
73.02899	0.2
76.40717	0.1
77.03911	0.4
78.04699	0.6
79.05478	2.3
81.03408	2.9
82.98372	0.2
85.02902	0.9
89.03903	1.8
91.05469	11.1
92.05788	0.3
95.01326	0.5
95.04964	1.5
97.02881	0.3
97.07162	0.2
99.04414	0.3
102.04673	0.6
103.05463	1.1
104.02623	0.3
105.03368	0.2
105.04484	0.7
105.07033	0.3
106.04173	1.0
107.04943	18.6
108.05785	0.3
109.02837	0.7
109.06393	0.1
113.02341	0.2
115.05437	0.3
117.03365	2.8
118.04122	0.2
119.04927	7.4
120.02048	0.3
121.02849	1.4
121.06463	0.9
123.00766	0.4
123.04414	0.3
125.06050	0.2
127.03912	0.3
130.04095	1.1
131.04906	0.7
132.02065	1.0
132.05716	0.2
133.02841	0.9
133.06490	0.3
134.03616	2.3
135.04404	6.2
136.05191	0.9
137.05930	0.5
139.00249	2.1
140.04654	0.4
144.02069	0.4
145.02826	2.8
145.03954	1.5
145.06476	0.2
147.00783	0.4
147.04402	2.6
148.05202	1.2
149.02318	0.9
149.05960	2.4
151.00235	0.3
151.03824	0.4
151.07536	1.1
155.07002	0.2
157.04004	0.3
158.03697	0.2
159.04436	0.3
160.01524	0.4
160.05191	0.3
161.05931	0.3
162.03101	3.3
163.03883	12.5
163.07521	0.6
164.04672	0.9
165.01817	0.5
165.05467	0.6
166.99760	0.2
167.07033	1.3
168.00511	0.3
169.01302	32.2
170.01677	0.5
173.05933	0.2
175.03889	3.3
176.04680	2.7
177.05446	7.7
178.02547	0.2
178.05925	0.2
179.07008	9.6
180.04208	0.3
180.07774	2.0
185.00877	0.3
186.01537	0.2
188.04613	0.4
190.02588	2.7
191.03435	0.4
191.07005	18.5
192.04128	0.2
192.07355	0.4
194.07227	0.2
195.04770	0.3
195.06494	2.6
195.08118	0.3
201.05492	0.2
203.07054	0.4
205.04936	29.0
206.05664	2.4
207.06491	11.5
208.06989	0.2
209.08047	0.2
222.06752	0.3
223.05898	1.7
224.06735	0.5
235.07259	0.2
241.04938	0.4
245.04417	0.4
249.05540	0.3
250.06190	0.7
251.06885	0.3
257.04434	3.2
259.06030	0.4
263.07047	0.2
265.08557	0.5
269.04355	0.2
278.05585	0.4
285.03897	20.6
286.04593	1.9
287.05450	100.0
288.05789	3.4
291.06836	0.2
293.07977	0.8
297.07486	0.4
301.06906	0.8
311.09201	0.2
313.10403	0.2
321.07510	0.5
325.10699	0.3
338.07574	0.2
351.10657	0.6
353.10110	1.0
356.11612	0.2
367.10220	2.4
368.11084	0.7
369.11703	0.7
385.12753	19.1
386.13181	1.0
444.25677	0.2
491.09555	0.6
525.33508	0.2
529.17084	2.4
547.18140	1.0
621.12427	0.3
623.74518	0.2
639.16998	0.2
653.14752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74213	1.5
73.52370	0.3
81.03420	0.5
87.04580	0.4
175.03654	40.7
176.04068	0.9
177.05423	0.6
204.04016	1.5
246.25766	0.5
287.05539	0.6
299.05676	0.9
421.12305	0.6
424.11050	0.5
438.13214	1.2
439.13849	1.5
440.14316	1.1
453.15146	3.6
483.16171	0.9
593.19763	0.6
621.19489	1.1
635.21063	0.8
636.22205	1.3
637.22180	1.0
649.22418	0.6
721.61298	0.4
778.04645	0.5
785.27289	0.5
791.36377	0.5
833.29779	100.0
834.30206	9.5
844.54639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.6
65.03928	0.1
67.05497	0.2
68.99787	0.7
69.03427	5.9
70.70892	0.2
71.01350	0.2
71.04999	0.6
72.07819	0.1
73.02920	0.9
78.03455	2.6
80.63603	0.1
81.03414	5.5
83.01347	0.2
83.04983	0.7
85.02902	10.2
86.03252	0.1
87.00823	3.2
87.04451	0.2
91.03946	0.3
95.04971	0.3
96.04490	100.0
97.02886	3.7
97.03490	0.2
97.04262	0.2
97.04818	0.8
99.04458	2.0
103.03957	0.7
103.05446	0.2
105.01862	3.0
107.04937	0.2
109.02873	7.5
111.04422	0.6
112.90720	0.1
115.03896	0.3
117.01865	0.4
117.07059	0.2
123.04415	0.5
125.02367	0.4
127.03911	11.3
128.04283	0.2
129.01839	0.7
129.05473	0.3
131.04948	0.3
131.48999	0.1
135.08029	0.2
136.07568	1.4
139.03873	0.3
141.05518	0.1
145.04961	3.4
147.02905	0.6
147.04422	0.2
151.03905	0.5
159.02884	2.6
165.05472	0.2
169.04918	0.9
171.02846	0.3
173.05989	0.5
175.03896	0.1
177.04008	0.2
177.05534	0.2
178.60846	0.1
181.05008	0.2
187.05981	1.2
189.03960	0.9
191.23018	0.1
193.04977	0.6
201.05472	0.8
205.07068	0.4
213.03918	1.2
215.05490	0.2
229.07118	0.2
231.04973	3.6
235.05951	0.1
243.10165	1.0
249.06091	0.6
255.05003	0.3
271.05862	0.2
273.06046	2.8
291.02979	0.2
292.05896	0.1
293.04001	0.6
294.04858	0.2
297.06284	0.2
299.09207	0.2
315.07181	0.4
316.08740	0.2
333.08017	0.2
338.13831	7.2
339.07257	0.3
339.14197	0.2
357.08209	0.4
384.09317	0.1
461.09448	0.1
565.10895	0.2
566.11389	0.3
586.19177	1.4
748.24835	0.2
790.23914	0.1
834.24396	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	834.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	0.9
65.03931	0.6
67.05505	0.6
69.03426	1.1
70.80080	0.3
71.05003	0.2
73.02905	0.5
77.03949	0.1
78.89362	0.1
81.03428	0.8
85.02902	3.6
86.27128	0.1
90.68047	0.1
91.03961	1.1
93.03391	0.5
95.04951	0.5
97.02889	2.1
99.04426	0.4
108.02060	0.6
109.02895	1.0
110.03698	0.2
111.04427	0.6
115.03899	0.1
121.03951	0.2
125.05968	0.7
127.03909	2.1
136.01619	0.2
141.05482	1.1
145.04947	1.7
151.03900	100.0
151.04930	5.2
152.04228	1.5
152.05328	0.2
163.06009	2.1
169.04973	1.0
207.21858	0.1
253.07059	0.3
273.45901	0.1
290.71149	0.1
295.08127	0.7
313.09152	35.0
314.09561	1.2
325.11206	0.6
331.09998	0.2
344.39114	0.1
381.74945	0.1
457.13004	0.2
475.14352	0.8
484.34412	0.2
645.16534	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	834.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	31.9
65.45679	0.3
69.59132	0.6
70.46479	0.3
73.02911	0.7
73.06551	1.3
77.03920	0.8
79.05486	5.6
81.07030	0.3
87.04455	2.5
89.06021	6.2
91.05471	2.9
93.07025	0.7
95.04965	3.0
103.05466	4.8
103.07569	35.6
105.04611	1.4
105.07018	100.0
106.07359	2.4
116.06199	0.3
117.09113	1.1
119.04951	0.5
119.08547	0.8
121.06493	3.3
124.99942	0.3
128.06224	0.4
129.06969	1.2
131.07065	0.6
131.08551	4.8
133.08595	4.5
133.10057	0.6
147.08197	2.9
147.10141	18.2
149.09590	1.1
157.10146	0.3
164.94983	0.3
165.09079	1.1
165.11223	0.4
173.09549	0.4
175.09674	0.7
177.11131	1.5
184.07373	0.3
190.99683	0.3
191.10788	0.4
191.12772	1.5
192.53287	0.3
209.11658	0.6
209.13548	0.7
211.13248	0.3
221.13925	0.4
223.11171	1.1
225.12683	6.4
225.14766	0.4
227.12747	0.4
235.13145	0.4
235.15308	0.3
249.12730	0.7
251.14279	9.1
252.14597	0.3
253.16042	1.8
267.13895	0.5
269.15308	3.1
295.16934	0.9
311.16235	0.5
313.18066	1.5
327.17380	1.3
329.18967	7.8
330.18997	0.4
341.21600	0.4
355.20706	0.6
357.20364	0.4
373.21579	4.1
417.24356	0.4
477.27817	3.0
505.29953	0.4
609.36011	1.4
708.84082	0.3
713.41986	0.5
760.62372	0.3
834.51257	4.1
835.52142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	29.7
64.74831	0.2
67.05507	0.3
67.55087	0.2
68.56247	0.2
69.40579	0.9
73.02921	0.8
73.06548	1.4
75.00063	0.3
76.95981	0.2
77.03932	0.8
79.05488	6.0
81.40666	0.3
87.04451	2.4
89.06024	5.8
89.06535	0.5
91.05473	2.5
93.07003	0.4
95.04964	2.9
103.05460	4.9
103.07571	32.7
105.04597	1.2
105.07019	100.0
106.07346	1.4
107.04957	0.2
113.06087	0.2
115.05470	0.3
116.06255	0.5
117.06963	0.4
117.09137	1.0
117.72609	0.2
119.04911	0.2
119.08556	0.6
121.06500	3.9
121.08522	0.2
124.08218	0.2
129.06976	0.9
131.07010	1.0
131.08557	4.6
133.08594	4.4
133.10123	0.4
138.97124	0.4
145.06441	0.3
147.08136	2.8
147.10138	14.8
149.09608	1.0
153.01746	0.3
161.11673	0.3
165.06969	0.3
165.09052	0.9
165.99261	0.2
166.07782	0.4
173.09480	0.3
175.09662	0.6
177.11226	1.5
181.10052	0.5
191.10782	0.4
191.12680	1.1
193.12236	0.2
209.11577	0.3
209.13336	0.5
221.13725	0.2
223.11076	0.8
225.12714	5.6
226.13091	0.3
227.02119	0.3
227.12587	0.2
235.13043	0.3
235.15254	0.3
249.12697	0.5
251.14296	8.8
252.14494	0.4
253.15970	1.9
267.13657	0.7
269.15305	2.4
295.16962	0.4
311.16302	0.5
313.17874	1.5
327.17337	1.9
329.18967	7.7
330.19153	0.3
353.18948	0.3
355.19983	0.5
357.20581	0.6
371.19836	0.5
373.21576	4.2
374.21497	0.2
417.23859	0.5
477.27884	2.3
505.29532	0.5
507.28952	0.2
609.36102	1.2
635.71722	0.3
834.51453	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	834.5389
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05300	8.9
67.05502	27.2
71.08622	11.5
79.05487	19.7
79.71349	10.4
81.07042	41.1
85.10153	16.4
93.07038	12.6
93.79198	9.2
95.08582	22.9
105.07060	10.4
107.08575	12.6
123.11726	13.6
135.11641	9.2
143.30659	10.6
171.79268	9.6
173.63815	10.0
261.22098	33.9
313.27271	100.0
335.25833	70.4
573.48334	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.163
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71487	0.7
68.99806	1.3
69.64590	1.5
69.64990	1.5
70.06602	1.0
85.02898	1.1
94.25803	0.8
102.19279	0.7
103.05484	3.4
104.05794	0.9
105.06998	1.0
120.20956	0.9
127.03948	1.6
131.04919	9.8
145.04984	0.9
185.00854	2.9
188.97955	6.6
190.99681	0.9
206.99051	2.0
245.55829	0.7
265.04834	1.7
269.15820	0.7
271.06070	2.4
272.06552	1.0
291.02841	1.2
292.02832	0.9
292.05865	2.2
293.04184	76.1
294.04910	25.6
295.05554	3.8
311.05270	1.1
314.07352	0.8
315.08600	2.6
316.09064	1.8
321.03714	9.5
334.07004	1.4
415.04401	1.0
425.02515	0.9
443.03809	6.2
461.04813	14.0
462.05524	0.9
479.05783	11.9
519.10291	1.1
547.09900	11.8
548.10175	1.0
563.08905	1.3
565.11017	100.0
566.11267	10.1
567.11609	2.6
756.11737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53088	0.7
66.31303	0.9
68.99790	1.1
94.04620	0.7
103.05490	2.1
131.04918	5.7
132.05275	1.0
145.04961	0.7
165.98293	0.7
185.00865	1.0
188.97978	6.6
206.98985	2.0
265.04770	1.8
271.06113	0.7
292.05829	1.8
293.04172	80.4
294.04941	22.7
295.05612	2.6
315.08582	1.1
321.03690	7.8
334.06998	1.6
338.97491	0.9
425.02664	2.3
443.03668	5.7
461.04810	11.3
464.58490	0.9
479.05811	12.5
480.06778	1.0
519.10345	2.0
547.09985	12.0
548.10291	0.9
565.11023	100.0
566.11279	9.6
567.11731	1.1
601.62067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04866	5.2
60.05646	9.1
70.06591	34.0
71.04993	3.5
72.05626	0.7
72.08145	1.3
73.06427	0.7
76.09119	0.4
86.07192	8.2
87.07970	20.9
88.07638	1.3
92.73479	0.3
95.06085	0.7
98.06040	0.8
99.04453	0.4
112.08723	2.3
113.07126	0.8
114.10291	1.6
116.07093	6.9
118.07597	0.4
119.06965	0.7
130.09758	19.1
131.04910	1.2
139.09651	0.4
141.06653	0.4
158.09254	13.4
159.10088	3.3
167.02162	4.3
168.02893	0.8
177.05530	0.5
185.03217	1.6
192.06516	0.4
220.06032	15.6
222.07643	0.7
238.07181	0.5
245.05566	0.6
254.91046	0.4
271.08441	1.9
272.09152	1.4
290.07803	0.6
291.06140	0.6
299.05389	1.5
308.08630	0.4
324.12283	22.2
325.12381	0.8
326.13437	0.5
329.10092	2.4
370.12671	2.4
395.12357	1.3
411.16565	1.3
412.15030	3.2
429.17688	100.0
430.17972	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	837.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04869	6.5
60.05648	9.1
68.05029	0.5
69.61797	0.3
69.62135	0.8
70.06591	33.1
71.04990	3.5
71.60772	0.2
72.08152	1.0
73.06431	0.3
82.06568	0.3
83.29987	0.2
85.07646	0.6
86.07190	9.5
87.07972	23.1
88.07648	0.6
95.06104	0.8
97.07661	0.6
98.06061	1.1
99.04475	0.4
100.07662	0.4
112.08743	2.2
113.07139	0.9
114.10294	1.3
116.07096	7.3
119.06935	0.7
121.12767	0.2
128.73283	0.2
130.09761	19.8
131.04926	0.4
141.06523	0.4
148.49747	0.2
158.09250	15.3
159.07870	0.2
159.10040	3.7
160.10820	0.8
164.07086	0.3
167.02136	4.6
168.02914	1.0
171.22238	0.2
178.01242	0.4
185.03154	1.2
191.08936	0.2
192.06590	0.7
193.02501	0.3
193.33328	0.3
220.06046	17.4
222.07640	0.7
238.07033	0.5
245.05598	0.3
247.07256	0.3
271.08383	1.6
272.09125	0.8
290.07846	0.3
291.06088	0.8
299.05493	1.7
308.08777	0.6
324.12286	20.2
325.12656	0.7
326.13931	0.3
329.10211	2.2
330.10785	0.3
349.11823	0.6
370.12869	2.6
394.14191	0.4
395.12317	1.9
409.05823	0.3
411.16650	1.1
412.15073	3.2
429.17691	100.0
430.17963	3.7
471.37061	0.3
866.88239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04978	3.0
59.67172	1.8
61.02898	1.8
67.05498	4.6
69.03423	11.6
69.82070	3.6
69.82419	5.7
71.08626	33.4
73.02924	3.5
73.06553	1.9
73.96079	2.2
79.05467	2.7
81.03411	13.3
81.07054	5.2
85.02906	15.2
85.10169	22.8
87.00813	6.1
87.04460	25.1
89.06026	100.0
91.05469	14.9
93.07022	10.3
95.04962	4.1
95.08618	4.8
97.02887	5.8
98.98396	2.0
99.04474	4.7
101.31181	1.7
103.05437	4.8
103.32077	1.8
105.01887	2.6
105.07010	23.8
106.07362	2.0
107.04958	3.6
107.07053	2.1
107.08595	3.4
109.02901	5.3
111.53092	2.0
117.06979	1.8
117.09081	2.1
119.04955	3.5
119.08595	6.3
121.06498	35.4
121.10103	3.9
127.01566	2.8
127.03873	6.7
131.07037	8.0
131.08604	3.0
133.08600	61.5
134.08932	2.3
135.08043	7.1
136.06180	3.9
139.01529	3.2
145.10127	2.2
147.08037	12.5
149.09619	7.3
153.03067	2.3
159.02866	2.4
163.11191	7.3
165.09077	12.9
175.09641	4.1
177.11221	24.1
177.12657	3.2
191.10782	3.3
193.12228	2.1
201.29257	1.8
209.11783	7.1
211.13391	2.0
221.13812	7.6
231.05287	2.4
235.13309	3.9
239.15144	2.3
247.20506	16.0
254.98183	2.1
255.15839	4.0
265.16397	3.8
273.22086	2.9
283.17499	2.4
291.23184	30.9
317.24619	3.2
331.35684	2.2
335.25714	13.7
359.20538	3.7
389.22870	2.1
447.25900	19.1
573.39923	50.7
574.40497	2.8
644.41693	3.1
838.48077	11.6
838.61829	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.6
65.03937	3.9
67.05500	55.1
69.03440	5.3
69.07072	13.0
71.04982	6.5
73.02910	3.1
73.06544	2.3
79.05488	52.5
81.03409	10.3
81.07050	48.9
83.04959	6.2
83.08629	10.6
85.02890	3.9
85.06566	3.1
87.04463	15.2
89.06036	15.9
91.05476	39.4
91.89787	1.8
93.07043	43.5
95.04973	16.7
95.08603	29.7
97.02848	2.5
97.06516	21.5
97.10170	9.5
99.03691	2.0
103.05491	4.0
105.04507	4.4
105.07022	78.3
106.07360	7.7
107.04935	13.6
107.08581	23.3
109.02850	3.3
109.06538	18.5
109.10146	13.9
111.04548	2.0
111.08073	2.7
113.06017	4.8
117.07030	12.6
119.08593	15.0
121.02863	7.9
121.06500	18.9
121.10139	16.7
123.08044	8.6
123.11656	3.0
125.05986	9.7
125.09636	7.1
129.06995	6.0
131.08562	17.5
133.06462	2.8
133.08627	6.1
133.10114	10.1
135.08047	11.2
135.11676	6.4
137.09579	3.8
143.08574	4.6
145.06509	4.2
145.10092	10.3
147.04477	2.3
147.08052	7.3
147.11713	7.3
149.09607	6.3
149.13235	4.3
151.07547	3.5
153.09155	2.8
155.08502	2.8
155.94054	2.0
157.10106	4.2
159.08028	15.2
159.11693	6.3
161.09613	3.2
161.13254	4.2
163.07516	6.3
163.11229	3.3
163.14929	2.6
165.12851	2.4
167.10597	2.9
169.10138	2.5
171.11707	3.1
173.09721	2.7
173.13228	4.7
175.11188	5.8
177.09119	4.1
177.11258	2.7
183.11656	2.8
187.14827	2.8
189.11215	6.0
191.14388	2.7
193.12277	5.9
215.14296	3.2
219.13866	5.1
227.12718	5.1
233.15343	27.7
237.14873	2.6
241.14188	4.3
243.17509	2.6
247.13313	3.6
251.16475	2.4
253.15935	4.6
261.18787	2.4
261.22211	6.9
266.48959	2.0
267.15802	3.7
271.17047	13.6
289.17953	42.7
307.19077	19.8
329.19016	2.6
333.23941	3.0
335.25800	100.0
336.26221	2.9
345.20557	3.5
358.90808	2.3
363.21661	19.4
381.22797	11.1
433.90463	2.3
623.43256	15.4
641.43921	23.6
659.44775	4.2
670.50714	2.1
677.32825	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	839.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65536	1.1
91.73422	1.1
92.38587	1.1
96.08950	1.1
99.51426	1.1
138.46416	0.9
151.03903	8.4
153.04384	1.7
155.01865	1.6
169.96922	1.0
173.02853	1.4
185.04301	1.7
203.05351	4.8
209.02960	1.2
251.04134	1.6
263.03711	1.3
269.05243	2.0
305.08331	2.3
311.06183	1.2
314.63440	1.1
315.09885	1.2
335.07538	1.9
347.09454	1.4
362.08646	1.1
365.10547	41.6
365.14893	2.2
431.83777	1.4
456.97925	1.2
482.80481	1.4
497.12451	7.7
515.12793	2.6
557.13739	14.0
587.15894	3.4
617.16650	8.6
659.17444	5.2
677.18921	100.0
678.19409	6.2
702.71271	1.3
839.24237	95.2
840.24078	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	840.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63940	0.2
65.03937	2.3
67.05493	1.0
69.03439	1.8
69.05734	1.0
69.06149	0.7
81.03417	3.9
85.02885	1.8
93.03411	1.9
95.04967	0.5
95.76884	0.2
97.02876	2.1
97.06503	0.3
99.04443	0.5
105.04507	0.3
107.04963	0.2
108.02100	1.3
109.02882	2.3
109.10185	0.3
110.03657	0.4
111.04450	3.1
123.04367	0.3
125.05991	3.4
127.03911	1.1
135.04442	0.3
141.05452	1.3
145.04977	0.3
151.03902	100.0
151.04947	5.5
152.04221	2.1
152.05272	0.3
153.01852	0.8
163.07545	6.3
163.20346	0.2
169.04961	12.5
170.05251	0.3
177.09113	0.9
181.01324	0.5
181.08586	3.2
189.09180	0.4
199.02417	0.8
203.10655	1.1
207.10162	0.3
215.10703	0.4
221.11725	2.9
222.53534	0.2
233.11690	0.3
271.06021	1.2
272.06293	0.7
277.06912	0.3
285.07767	0.3
285.18457	1.5
295.08151	5.9
295.11459	0.4
299.02087	0.6
299.05496	11.6
300.05829	6.3
303.16159	0.4
303.19540	3.8
313.09189	14.7
313.18015	0.5
314.07584	1.6
315.08206	1.1
321.03793	0.5
322.04031	0.4
329.10178	22.3
330.10504	15.7
331.10773	1.5
331.19019	5.5
336.06018	0.7
337.06381	0.4
347.18478	0.8
348.18851	0.7
349.15695	0.4
349.20081	7.1
350.20511	0.5
351.08408	5.5
352.08713	4.5
365.19403	0.4
366.19897	0.3
409.05792	0.8
410.06134	0.8
432.04300	0.5
468.85074	0.2
560.71997	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	5.4
67.05497	81.4
69.03430	7.5
69.07066	36.6
71.04987	5.3
77.30386	3.0
79.05487	81.4
81.03415	11.2
81.07050	92.6
83.04976	10.4
83.08615	18.9
85.02896	6.3
85.06530	5.7
87.04462	4.2
89.06025	6.6
91.05470	86.2
91.48000	3.2
93.06445	4.3
93.07035	80.4
94.97303	2.9
95.04953	13.9
95.08595	57.0
97.02882	5.8
97.06516	9.3
97.10172	7.3
105.04523	5.5
105.07025	100.0
105.07744	6.2
106.07320	4.9
106.12923	2.8
107.04966	7.5
107.08577	40.6
107.09234	4.3
108.44836	3.6
109.06523	7.4
109.10143	24.4
111.08074	4.5
115.05456	5.0
117.07008	28.1
119.08567	51.5
121.06512	5.8
121.10138	29.0
123.08059	7.1
123.11713	5.7
125.09636	4.1
128.06230	6.1
129.07008	24.0
130.07841	6.2
131.08559	43.8
133.08556	3.7
133.10120	44.0
135.08031	7.5
135.11690	24.6
141.06952	8.5
142.07742	3.4
143.08565	19.6
145.10092	30.8
147.08054	8.6
147.11679	26.7
149.09616	10.9
149.13254	11.4
155.08572	11.8
155.34991	3.0
157.10110	21.4
159.11664	25.2
161.09657	5.4
161.13249	13.8
163.11240	7.8
169.10120	11.1
171.11688	14.0
173.04440	5.8
173.13194	15.7
175.14819	6.0
177.12729	3.7
179.08545	3.9
181.10045	8.1
183.11681	11.8
184.07349	4.6
185.13243	13.3
187.14752	5.2
195.11725	5.9
195.13774	3.6
197.05669	3.4
197.13309	11.0
199.14862	7.4
201.16479	4.0
203.23285	3.3
207.11700	3.0
209.13263	4.8
213.12759	3.6
223.14809	4.4
231.20955	4.0
235.80759	3.6
239.17912	3.2
241.19470	13.2
255.15685	7.5
259.20569	30.9
269.17505	11.9
273.18640	6.6
275.20038	12.2
291.19608	7.6
315.22955	3.8
333.24207	31.2
335.25894	7.2
343.79187	3.2
349.23788	6.9
377.81259	3.2
435.32657	5.4
453.33603	3.4
509.36255	3.9
513.35712	14.3
515.37402	3.6
527.37231	31.5
528.37872	3.7
544.26874	3.3
607.43390	22.6
625.44403	24.0
643.45367	6.3
667.47437	3.1
717.47321	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	841.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53815	3.6
68.99773	8.1
82.61568	3.8
91.05486	5.1
92.01311	3.9
92.99811	3.7
95.04945	5.6
103.05461	46.6
105.03377	9.2
115.05424	3.9
131.04930	100.0
138.01889	13.8
148.00281	7.7
154.34053	3.6
166.01399	11.8
168.02875	7.0
171.64809	3.8
178.01294	11.7
186.84839	3.3
216.12595	3.4
217.03714	10.5
222.00330	5.6
223.03932	4.5
228.02814	5.0
244.02473	3.6
245.03172	12.2
246.03922	4.3
248.01872	8.3
249.99864	10.4
255.01749	7.5
256.02335	6.6
260.01831	8.9
266.02899	5.4
268.00885	58.9
270.07468	7.8
272.01947	6.4
272.08920	4.0
273.02609	24.5
274.03549	5.0
282.07593	15.7
290.02859	5.2
291.03555	10.4
301.03052	3.8
309.10321	4.0
314.02905	82.7
318.02637	4.6
320.04300	9.7
324.08789	8.7
326.06418	5.4
332.03931	17.5
332.40552	4.3
336.04977	15.3
340.08267	6.2
342.02505	13.7
344.05447	5.8
348.03848	11.2
352.08380	5.9
354.05969	17.1
360.04321	4.9
360.08759	4.6
366.09741	19.7
376.03088	12.2
377.08923	58.2
384.10931	11.3
388.04501	6.2
404.02615	7.9
418.09271	34.7
419.08728	7.3
440.11221	67.4
446.08664	65.9
464.09863	14.5
492.10645	17.3
508.08618	7.7
524.14661	4.1
534.12140	4.7
535.07642	7.1
536.07971	13.0
552.12616	11.3
554.13947	6.3
582.26068	5.2
640.14862	24.0
657.14734	12.1
699.16156	19.1
717.16650	13.3
745.17657	7.9
773.16998	12.4
823.20197	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	841.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05361	1.4
60.05649	21.9
63.07206	0.6
70.06590	46.4
71.06948	0.7
72.08138	2.3
76.47192	0.6
81.73544	0.7
84.16844	0.8
112.08719	2.4
114.10285	0.7
116.07089	20.2
116.07898	1.6
130.09756	8.7
157.10843	1.3
158.09248	5.2
174.89655	3.3
175.11900	100.0
176.12216	1.3
186.10020	0.6
214.27928	0.6
403.47113	0.7
461.04285	1.1
520.72760	0.7
543.13208	0.9
705.18311	11.3
706.18079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	100.0
64.12044	0.5
69.03428	1.3
70.06594	0.8
70.53933	0.9
71.04977	0.8
73.02908	4.1
73.06554	7.7
84.08122	0.6
85.02908	0.6
87.04464	29.9
89.06026	91.9
90.06326	0.5
91.07589	0.9
103.07576	86.8
104.07949	0.6
107.07036	3.1
113.05997	2.4
115.07562	1.9
117.09126	9.9
121.02855	0.8
130.08638	0.6
131.07045	5.5
133.08598	60.0
136.06192	0.8
147.04369	0.8
147.10150	38.0
152.05627	0.7
157.08607	1.3
159.10172	1.4
161.11752	3.2
166.53645	0.5
175.09650	4.5
177.11208	20.8
179.12772	0.6
191.12737	2.1
191.46936	0.6
203.12735	0.8
219.12189	2.3
221.13824	3.0
235.15326	0.6
265.16553	0.9
283.17520	1.4
284.60901	0.6
309.18945	0.9
311.20831	0.7
327.20251	0.9
353.13739	0.6
825.49561	1.1
842.52747	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	845.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	6.5
61.02922	5.6
67.05503	5.6
69.03416	3.6
69.07065	1.3
69.28429	2.4
71.04971	0.9
73.02908	5.5
73.06552	1.0
75.89611	0.5
77.03944	0.5
79.05479	7.1
79.74129	0.4
80.47802	0.5
81.03419	1.4
81.07050	5.7
83.08616	0.5
85.02879	4.6
86.09720	1.1
87.04456	4.0
87.10023	0.6
89.06013	5.6
91.03921	2.6
91.05458	4.1
93.07027	4.4
95.04972	2.4
95.08587	4.3
97.02874	4.5
97.06527	0.9
99.04485	0.7
101.02402	2.0
103.03956	1.5
103.05494	1.9
103.07576	4.7
104.07919	0.7
105.04540	0.7
105.07017	37.9
106.07355	4.5
107.08577	2.7
109.10166	1.0
113.06036	0.6
117.07047	1.2
117.09158	1.1
119.08617	1.5
121.06524	1.1
121.10131	0.8
125.00011	1.4
127.03934	0.9
131.08609	2.2
133.07748	0.6
133.08571	3.4
133.10143	1.2
135.11713	1.2
147.08061	0.9
147.10223	2.0
162.00586	0.7
174.96573	0.6
177.11227	1.0
184.07324	3.0
214.05896	0.6
219.03920	0.7
225.12827	1.4
226.13210	0.5
229.14377	0.6
235.03384	0.7
243.08505	1.9
251.14407	1.8
327.17606	0.6
329.18954	0.8
342.81470	0.5
349.19757	6.7
394.28326	0.6
411.96988	0.6
416.63260	0.6
444.15784	0.7
519.29346	5.6
567.27734	2.4
650.15216	0.7
845.50287	100.0
846.50696	8.6
869.83502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	10.0
61.02922	7.9
61.90091	1.5
67.05501	9.0
69.03446	3.5
69.07059	3.0
70.05889	1.6
73.02928	8.9
79.05494	11.9
81.03424	3.7
81.07065	9.5
85.02898	8.4
85.67509	1.5
86.09730	4.1
87.04479	3.2
89.06019	10.3
91.03983	3.2
91.05503	3.4
93.07053	8.9
95.04969	2.1
95.08621	6.8
97.02920	6.2
99.04456	1.6
101.02423	2.6
103.03970	4.0
103.05475	3.4
103.07603	6.9
105.07024	62.6
106.07376	6.9
107.08585	1.8
109.02911	1.5
121.10157	3.6
125.00012	2.3
131.08592	2.8
133.08601	3.7
134.85866	1.9
147.10149	2.1
184.07320	11.4
225.12785	2.2
243.08514	2.2
251.14479	3.3
338.98941	2.0
349.20145	5.9
519.29431	4.8
567.27844	3.4
703.64240	2.0
733.04645	1.9
775.42029	1.8
808.00092	1.7
838.86945	1.9
845.50122	100.0
846.50494	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	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	0.8
60.10064	0.4
61.02925	5.0
67.05499	4.7
69.03432	3.1
69.07066	1.9
71.04997	0.5
73.02907	4.0
73.51102	0.4
79.05479	5.1
81.03419	1.9
81.07051	4.2
83.04973	0.6
83.08617	0.4
85.02891	4.1
87.04469	1.1
87.81454	0.4
89.06044	1.4
91.03954	2.7
91.05473	4.6
93.07033	5.0
93.07501	0.5
95.04971	1.9
95.08591	2.5
97.02888	3.1
97.10218	0.3
99.04472	0.9
101.02400	1.7
105.04486	0.5
105.07021	7.0
106.07389	0.7
107.05003	0.6
107.08587	2.7
109.02858	0.8
109.06555	0.5
109.10160	1.4
117.07040	1.2
119.08569	2.6
121.06452	0.5
121.10175	1.3
125.00040	0.4
127.03931	1.1
129.07047	0.6
131.08582	1.7
133.08652	0.6
133.10167	1.5
135.11713	1.4
137.15869	0.4
143.08774	0.4
145.10184	1.0
147.11707	1.4
149.13205	0.5
159.11722	0.6
161.13335	0.7
162.91557	0.4
184.07401	0.9
185.04282	1.1
224.43681	0.4
243.08372	3.8
259.07767	0.4
301.09097	1.3
315.10641	1.2
333.20242	3.2
357.14737	0.4
359.22415	0.4
373.23807	0.7
384.03836	0.5
396.29688	0.4
439.19455	1.1
453.21036	0.7
465.20938	1.3
535.28772	6.6
551.28247	6.4
567.28113	0.5
623.30743	0.7
651.32916	0.6
775.41949	0.6
845.50098	100.0
846.50616	8.0
866.00513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	1.9
62.27431	0.2
63.01802	0.2
69.03438	0.3
70.63746	0.3
71.04981	0.9
73.02916	3.0
73.06551	2.1
73.70506	0.3
75.65469	0.2
77.11768	0.2
78.99494	0.5
84.00646	0.2
87.04462	100.0
88.04797	0.7
89.06027	6.9
103.07573	1.8
107.06985	0.2
113.00017	2.7
113.06011	0.5
115.07577	0.7
117.09122	1.6
121.02865	0.7
127.01560	19.8
131.07025	3.7
133.08598	4.0
139.01538	7.2
147.10156	1.0
153.03105	24.3
159.10188	0.8
162.44528	0.2
175.09650	0.9
177.11217	1.5
183.04163	2.8
197.05725	11.1
219.12268	3.3
221.13911	0.4
227.06845	1.0
241.08340	2.6
259.09360	0.3
263.14996	0.5
271.09317	1.7
271.11945	0.2
285.11063	1.2
303.12003	0.4
315.12070	0.7
327.04004	0.2
329.13559	0.5
347.14578	0.3
348.41507	0.3
359.14557	0.5
373.16248	0.3
435.19662	0.3
479.22333	0.4
829.41626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	0.4
70.70897	0.3
71.43130	0.3
73.02910	0.7
73.06561	1.0
77.03932	0.5
79.05481	3.5
81.07040	0.6
87.04461	100.0
88.04795	0.6
89.06024	3.3
91.05467	4.6
93.07043	1.2
94.79756	0.3
95.04977	1.6
95.08617	0.4
103.05458	3.0
105.07021	45.4
106.07346	0.8
107.04935	0.9
114.16319	0.3
116.06263	0.3
117.06971	0.8
117.09111	0.6
118.84918	0.3
119.04929	0.7
119.08557	2.2
121.05622	0.4
121.06493	5.4
129.06972	1.8
131.07036	3.7
131.08548	3.7
133.08574	2.4
133.10121	0.6
135.08134	0.4
145.06487	0.6
147.08037	15.9
148.08356	0.3
149.08014	0.3
149.08385	0.4
149.09592	3.9
157.43266	0.3
165.09109	0.6
168.44188	0.3
175.09653	1.0
177.11174	1.2
179.90579	0.3
181.10149	0.7
184.07289	1.0
192.09271	0.3
193.12219	0.3
219.12236	3.2
223.11201	1.4
225.12730	10.4
226.13077	0.4
227.12910	0.3
249.12686	1.6
251.14319	1.7
263.14883	0.9
269.15381	1.5
313.17749	0.6
329.18951	0.4
371.15945	0.4
373.21655	3.7
417.23895	0.3
589.72681	0.4
645.28186	0.3
662.69135	0.3
774.33997	0.4
782.00458	0.4
846.50354	9.5
847.51172	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	846.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.5
67.05493	0.6
69.03428	0.5
69.88972	0.9
69.89318	0.3
73.02911	0.8
73.06544	1.1
77.03896	0.4
79.05489	4.3
81.07053	0.7
85.02886	0.9
87.04462	100.0
88.04796	0.7
89.06023	4.0
91.03909	0.4
91.05472	5.0
93.07041	1.3
95.04961	2.5
95.08591	0.9
97.02864	0.6
101.07339	0.3
103.05457	3.7
105.07023	46.5
106.07344	0.8
107.04961	0.6
117.07021	0.8
117.09147	0.8
119.04910	0.7
119.08570	2.5
121.06493	5.5
128.06224	0.4
129.06982	2.2
131.07059	3.3
131.08568	4.3
132.05669	0.3
133.08589	2.3
133.10132	0.5
135.07983	0.5
140.46251	0.3
145.06480	0.7
147.08037	19.1
148.08333	0.5
149.09622	4.3
163.11078	0.3
173.09586	0.3
175.09644	0.9
175.11127	0.4
177.11237	0.3
181.10141	0.8
184.07372	1.1
191.10715	0.4
193.12230	0.3
219.12257	2.9
223.11255	1.2
225.12737	9.2
226.13165	0.4
249.12718	1.9
251.14362	1.4
269.15448	1.0
313.17923	0.5
330.00467	0.3
367.49588	0.4
373.21600	2.2
402.75476	0.3
405.90680	0.3
568.28345	0.6
846.50360	13.5
847.51453	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	847.244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	0.5
68.99810	0.4
69.03437	1.8
73.02899	0.3
78.04708	0.4
79.05500	2.9
81.03417	2.2
85.02914	0.8
89.03932	2.5
91.05479	5.5
95.04968	1.4
99.04472	0.5
103.05473	1.7
105.03387	0.4
105.04521	0.7
106.04185	1.4
107.04956	16.9
109.02873	0.9
112.01559	0.4
117.03378	3.5
118.04166	0.6
119.04945	3.1
121.02867	1.2
121.06515	2.0
127.03925	0.4
130.04131	0.3
131.04936	1.1
132.02080	1.0
133.06464	0.4
134.03645	2.9
135.04413	6.4
136.05183	0.7
137.05980	4.1
140.01082	0.9
144.02043	0.5
145.02837	2.7
145.03973	1.4
147.00807	0.4
147.04407	2.2
148.05141	0.9
149.02345	0.5
149.05975	2.9
151.03885	0.4
151.07542	1.2
153.01849	1.1
159.04417	0.4
160.01631	0.3
161.05960	0.6
162.03127	3.5
162.06732	0.8
163.03903	11.4
164.04640	1.1
165.01804	0.6
165.05441	1.0
166.97720	0.3
167.07047	1.4
168.00563	6.3
173.05972	0.3
175.03955	1.5
176.04689	2.3
177.05479	9.3
179.07039	9.8
180.07793	2.5
183.01234	0.4
183.02895	8.4
186.01610	4.3
190.02591	3.3
191.07028	19.3
192.07390	0.6
195.06534	2.5
199.02460	0.4
201.05505	1.4
205.04962	34.8
206.05336	0.6
207.06555	2.0
213.05490	0.6
218.68910	0.3
221.05872	0.4
223.05994	1.6
233.06015	0.4
234.06776	1.1
235.07547	0.3
237.09114	0.5
243.70767	0.3
245.05966	0.6
247.07616	0.3
249.05470	0.4
249.09077	0.6
250.06255	0.9
251.06813	0.4
258.05252	2.0
262.06277	0.9
263.06827	0.4
265.08630	0.8
268.03680	1.0
269.04373	0.4
270.05154	0.5
275.06982	0.3
277.08655	1.2
278.05850	0.4
279.06720	0.4
285.03900	1.1
286.04715	23.8
287.05087	0.6
290.05646	0.6
292.07385	0.4
293.08026	1.1
294.08871	0.4
297.11005	0.4
298.04684	0.3
299.05508	8.2
300.06250	3.4
301.07065	100.0
302.07367	3.5
305.08044	1.5
307.09711	0.7
309.07385	0.3
309.11169	0.4
316.05704	0.4
325.10742	2.6
331.08157	4.2
337.10760	3.0
338.07605	0.4
353.10159	0.8
355.11908	0.6
367.10147	1.8
385.12808	19.4
386.13174	0.7
443.03250	0.3
481.15497	0.3
487.16217	0.6
517.17096	0.4
529.17169	2.2
547.17957	0.6
769.10089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78990	3.2
66.63137	3.2
66.63484	2.9
69.03437	3.1
81.03413	3.6
84.80039	4.8
92.23492	3.8
98.23500	8.6
107.07833	3.3
121.72165	3.1
133.02864	11.1
137.06015	6.7
145.02844	4.4
147.04453	3.5
155.55933	3.1
177.05505	8.8
181.04962	5.5
201.05531	9.3
228.89046	3.6
271.06036	11.2
299.05481	56.6
314.07913	12.3
329.10147	100.0
330.10495	6.5
331.08154	9.1
332.08698	4.2
356.12143	4.2
381.33353	3.8
409.05838	79.0
447.40964	3.3
762.31836	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	848.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	5.9
59.86455	0.4
63.16191	0.5
69.03420	0.6
69.47778	2.5
71.04980	3.0
73.02910	10.1
73.06546	5.0
78.99504	2.1
87.04458	29.4
89.06021	100.0
90.06357	0.9
94.58525	0.4
95.04962	0.9
103.07576	7.5
107.07058	2.3
111.02087	0.7
113.00014	7.7
113.05981	3.1
115.07572	2.1
116.08044	0.5
117.09143	3.4
127.01553	64.2
131.07030	5.9
133.08589	49.7
134.08963	0.7
135.10170	0.6
139.01534	25.0
144.81982	0.7
147.10158	2.5
153.03096	76.2
154.03470	0.6
154.80760	0.5
157.08673	0.8
159.10187	2.7
175.09677	3.4
177.11200	13.9
177.12766	0.7
183.04158	8.6
197.05714	33.5
198.06099	0.9
203.12871	0.7
219.12286	1.3
221.13814	2.3
227.06808	3.8
241.08342	8.8
259.09323	1.5
271.09326	3.1
285.10931	3.6
303.11938	1.4
309.18918	0.7
315.12119	3.2
329.13608	1.1
359.14554	1.0
373.16260	0.8
391.17120	0.8
403.17023	0.6
435.19708	0.9
437.12585	0.5
474.89008	0.5
479.22501	1.0
720.50024	0.8
831.42401	2.2
847.55475	0.6
848.54749	2.9
850.31348	0.6
860.93085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	3.6
61.02920	11.5
63.34531	0.6
65.03928	3.4
67.05495	95.5
68.05827	0.6
69.03415	2.5
69.07059	7.0
71.04977	3.8
73.02900	4.4
79.05484	18.1
81.03407	1.4
81.07045	38.1
82.07406	0.8
83.04967	0.7
83.08598	7.6
85.02893	13.6
85.06530	2.5
87.04465	2.4
89.06004	2.6
91.03940	8.5
91.05465	14.2
93.06440	1.2
93.07030	22.5
95.04947	3.5
95.08593	25.0
97.02876	8.3
97.06514	1.4
97.10139	1.9
99.08066	0.9
103.03927	0.7
105.04486	1.1
105.07018	10.4
107.08578	12.9
109.02864	0.8
109.06512	1.0
109.10140	76.2
110.10460	1.0
111.08066	3.1
115.03936	0.9
117.07008	2.9
119.08559	10.6
121.02856	1.1
121.10131	11.7
123.11671	2.7
125.09595	1.6
127.03898	3.2
129.07013	0.9
131.08525	6.4
133.08575	1.2
133.10117	5.4
135.11667	7.6
137.09604	3.4
137.13200	1.6
145.04935	4.1
145.10104	4.2
147.07982	1.3
147.11707	3.4
149.09610	0.6
149.13237	5.3
155.10637	4.8
159.11655	3.1
161.13165	3.4
163.03882	1.1
163.05994	4.1
163.14809	3.2
173.11743	22.2
173.13222	3.8
175.14792	0.9
177.16409	0.9
180.08549	0.7
184.07394	0.9
187.14793	2.1
189.11078	1.2
201.16220	0.8
213.14676	0.6
225.12587	0.6
227.12756	6.5
229.14317	100.0
230.14719	1.8
243.21002	5.2
261.22086	17.9
317.24725	2.8
335.25751	63.4
336.26013	2.5
379.29861	1.3
397.30753	1.5
409.29123	0.6
415.31741	2.1
471.34433	2.0
489.35681	43.8
490.36230	3.1
507.36615	5.3
848.51776	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	848.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	2.7
61.02924	11.3
65.03931	2.7
67.05502	100.0
69.03426	3.1
69.07065	8.9
71.04980	4.6
71.43208	1.0
73.02924	4.7
73.11166	0.9
74.87654	0.8
79.05490	22.6
81.03423	1.3
81.07051	40.0
83.04958	1.2
83.08614	9.0
85.02901	14.5
85.06538	3.5
89.06046	1.6
91.03946	8.3
91.05481	16.5
93.06443	1.5
93.07038	30.7
95.04963	4.0
95.08601	31.6
96.04453	1.2
96.82036	0.8
97.02901	7.9
97.06511	1.7
97.10151	1.9
105.04475	1.3
105.07008	10.9
107.07886	0.5
107.08590	16.2
109.10152	79.5
110.10503	1.3
111.08087	2.5
117.07001	2.0
119.08561	11.6
121.10143	12.0
123.11692	4.9
125.07861	0.9
125.09599	1.5
127.03926	2.8
131.08553	8.4
133.08607	1.1
133.10103	5.6
135.11679	8.8
137.09622	4.5
137.13239	1.1
145.05006	4.2
145.10159	4.7
147.11662	4.7
149.13278	5.2
155.10638	4.9
157.10158	0.9
159.11717	3.5
161.13237	3.4
163.05997	5.0
163.14809	3.0
173.11757	22.1
173.13242	4.1
175.14803	1.4
177.16457	0.9
180.10851	0.9
184.07315	1.4
187.14819	1.9
194.98242	0.9
227.12729	4.9
229.14330	92.2
230.14716	2.0
231.08043	1.1
241.19356	1.0
243.21030	5.5
261.19498	0.5
261.22107	19.8
317.24731	4.3
335.25778	76.6
336.26056	3.1
397.31116	1.4
415.32071	2.3
471.34171	1.1
489.35715	74.9
490.35855	5.3
507.36722	5.9
508.38593	0.8
714.18451	1.0
728.31146	0.9
848.48657	1.8
859.19275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	0.9
65.03942	0.4
67.05487	0.9
69.03447	0.5
73.02919	1.0
73.06560	2.2
77.03932	1.0
79.05492	6.4
87.04465	9.8
89.06030	58.4
90.06357	0.6
91.05477	11.9
91.07623	0.5
93.07038	2.3
95.04965	4.2
103.05467	8.9
105.04612	1.8
105.07027	100.0
106.07358	1.3
107.04939	2.5
107.07053	1.6
109.10181	0.6
115.05446	0.6
115.07530	0.4
115.35558	0.4
116.06197	0.5
117.06998	2.0
117.09160	1.5
119.04923	1.8
119.08585	5.5
121.06504	15.5
128.06197	1.4
129.07014	4.1
130.08572	0.6
131.07083	3.5
131.08562	10.3
132.05681	1.1
133.08600	39.0
133.10191	1.2
134.08937	0.7
135.08026	0.7
145.06476	1.2
147.08044	41.3
148.08371	0.5
149.08487	0.5
149.09618	9.1
159.10115	0.4
161.11607	0.4
163.11166	0.7
165.06989	0.4
165.09077	1.0
166.01915	0.3
166.07784	0.5
173.09586	0.8
175.09712	2.5
175.11133	0.5
177.11209	13.8
178.07756	0.4
179.08531	0.5
179.12794	0.4
181.10104	1.5
184.07310	0.7
191.10645	0.9
192.09435	0.4
193.12213	0.7
207.11792	0.4
208.08766	0.4
209.09773	0.3
209.11568	0.3
219.12254	0.7
221.13817	2.2
222.10500	0.5
223.11125	2.9
223.15289	0.5
225.12738	25.5
226.13036	0.9
237.12747	0.6
239.14613	0.4
247.25133	0.3
249.12727	3.1
251.14297	3.7
255.15904	0.5
267.13538	0.7
269.15308	2.9
271.15262	0.8
283.17380	0.6
283.35126	0.3
295.16931	0.5
311.16290	0.8
313.17896	1.6
315.17844	0.4
327.17221	0.7
329.18842	1.1
335.25781	0.5
353.21655	0.4
359.20279	0.3
373.17050	0.4
373.21603	7.8
374.21765	0.3
417.23947	0.4
439.98322	0.3
489.35468	0.5
585.27759	0.4
727.41125	0.5
831.47601	0.5
848.50854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	0.5
65.03956	0.3
67.05503	0.4
69.03432	0.5
69.20657	1.6
71.05003	0.3
73.02939	0.7
73.06542	1.7
77.03923	1.1
79.05487	7.8
79.11641	0.3
81.07053	0.4
87.04462	9.5
89.06026	51.6
90.06361	0.4
91.05473	11.2
93.07040	1.6
95.04966	3.7
98.23457	0.4
103.05468	7.5
105.04594	1.6
105.07024	100.0
106.07366	1.3
107.04964	2.4
107.07063	1.3
107.08617	0.5
109.10182	0.6
113.06007	0.5
115.05428	0.6
115.07618	0.4
116.06238	1.1
117.07001	2.1
117.09132	1.5
119.04942	1.3
119.08589	5.0
121.06503	12.5
128.06238	1.7
129.07010	3.8
130.08647	0.8
131.07053	3.6
131.08556	9.1
132.05707	1.1
133.08598	35.7
133.10187	1.2
134.08981	0.3
135.08086	0.5
135.10185	0.4
143.08540	0.4
145.06502	1.3
147.08041	41.7
148.08392	0.9
149.09604	9.7
155.06055	0.4
165.06999	0.4
165.09074	1.0
166.07764	0.6
173.09633	1.3
175.09697	2.5
177.11206	12.3
177.12762	0.6
178.07805	0.4
178.11580	0.3
179.08563	0.6
181.06389	0.3
181.10085	1.6
184.07352	0.7
191.10617	0.5
193.12231	0.4
207.11740	0.5
208.08759	0.5
211.13370	0.3
219.12270	0.5
221.09616	0.4
221.13812	2.8
222.10283	0.6
222.73300	0.3
223.11151	3.1
225.12726	22.8
226.13019	0.6
229.14243	0.4
237.12904	0.4
239.14905	0.4
249.12741	3.5
251.14299	2.7
267.13800	0.7
269.15274	2.3
283.17523	0.7
295.16946	0.5
299.18265	0.3
311.16345	0.7
313.18021	1.4
315.18512	0.3
327.17416	1.0
329.18909	0.7
335.25803	0.7
373.21542	6.0
374.22122	0.4
417.24292	0.4
489.35144	0.4
644.56158	0.4
727.41553	0.4
831.48242	0.6
848.50763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02366	0.4
65.03928	0.3
69.03425	0.9
69.85402	1.1
72.79594	0.4
77.67428	0.3
78.04726	0.4
81.03414	3.3
85.02893	1.3
87.00863	0.3
89.03911	8.4
91.05482	3.3
91.92736	0.3
96.04498	2.8
97.02888	0.4
99.04458	0.5
103.05447	1.0
106.04198	0.3
109.02883	1.4
117.03374	25.3
118.04247	1.6
118.04896	0.3
119.04949	4.6
121.02885	0.5
121.06513	0.4
124.05168	0.6
125.06059	0.3
127.03882	0.7
131.04939	0.9
133.02844	1.0
133.06468	0.6
134.03644	1.7
135.04414	1.4
136.01563	1.0
137.05960	2.6
145.02840	58.4
146.03148	0.9
147.04388	4.2
149.05978	7.8
150.06767	0.4
151.07545	1.4
152.01073	1.2
153.01851	0.9
154.02629	1.2
161.06023	1.8
162.03088	0.4
162.06750	1.6
163.03958	0.7
165.01852	0.4
170.02094	0.4
173.05925	0.7
175.03912	2.9
177.05460	82.4
178.05826	1.4
179.07031	7.2
180.07788	0.7
181.01256	0.6
182.02097	1.2
186.05508	0.9
193.05067	0.5
195.06659	0.3
197.04459	2.0
198.01663	1.0
201.05428	3.5
207.62054	0.3
231.06526	0.6
235.07428	0.5
253.04967	2.0
254.05716	4.9
255.06235	0.4
265.04990	0.4
269.04388	0.9
270.05231	0.4
271.06003	12.9
271.08969	0.7
281.04385	1.1
282.05206	6.3
283.05975	2.7
285.03928	0.9
286.04681	1.1
299.02081	0.7
299.05484	11.8
300.06262	16.7
301.06635	0.8
305.08148	1.6
315.08600	100.0
316.08899	3.8
321.09686	2.3
325.10599	3.2
337.10696	3.1
341.10040	0.7
354.13428	0.4
355.11774	2.3
373.12915	3.2
428.21729	0.3
469.14798	0.8
499.16153	0.5
517.16858	1.0
535.18109	1.8
574.85541	0.3
602.18750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	0.8
66.77241	0.2
67.05484	0.2
68.99783	0.9
69.03421	7.1
71.01349	0.5
71.04979	0.8
73.02907	0.8
78.03436	2.7
81.03408	6.6
82.03732	0.2
83.01306	0.2
83.04964	0.7
85.02893	11.9
86.03218	0.2
87.00284	0.2
87.00817	4.3
88.79873	0.2
91.03922	0.2
91.05431	0.1
93.07051	0.2
95.04956	0.2
96.04482	100.0
97.02881	4.2
97.04814	0.9
99.04449	2.1
101.02351	0.2
101.77363	0.2
103.03927	0.5
103.05489	0.3
105.01849	3.1
105.07007	0.2
107.04945	0.5
109.02868	7.4
111.04433	0.7
115.03938	0.4
117.01846	0.6
119.04945	0.3
121.06464	0.2
123.04422	0.5
125.02346	1.4
127.03902	11.9
129.01839	0.7
129.05486	0.3
132.53804	0.2
133.06499	0.2
135.08026	0.2
136.07564	1.2
137.02339	0.2
142.03206	0.2
143.03416	0.2
145.04941	3.4
147.02887	0.5
147.04396	1.1
149.05994	0.4
151.03900	0.5
159.02876	2.8
161.09688	0.1
165.05460	0.3
169.04936	0.9
171.02911	0.3
175.03908	0.2
185.00891	0.3
187.06006	1.3
189.03943	1.2
189.05453	0.3
193.04945	0.5
205.07062	0.2
213.03922	1.6
215.05547	0.4
217.05005	0.7
231.04977	3.5
233.06491	0.3
235.05963	0.3
249.06012	0.8
259.09601	1.3
273.05994	3.1
306.62549	0.2
315.07043	0.3
333.07898	0.2
339.07172	0.4
345.02716	0.2
354.13318	9.9
355.13626	0.5
357.07965	0.4
407.08267	0.2
461.09369	0.3
602.18640	2.5
603.18579	0.3
764.24060	0.3
806.23199	0.3
850.23816	2.5
866.72937	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	850.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.4
66.04727	1.4
67.05518	2.4
68.99797	1.3
69.03430	3.8
69.76409	2.8
69.76811	1.8
71.53764	1.1
73.02926	2.2
79.05474	1.9
80.58386	1.1
81.03417	7.8
85.02901	15.7
87.00830	6.5
91.05487	3.6
93.03400	1.7
95.04971	3.9
97.02888	6.9
99.04461	1.6
103.03969	4.2
103.05459	16.3
105.01879	3.0
105.07040	3.0
107.04975	3.3
109.02879	8.1
109.06548	1.4
114.29498	1.1
115.05466	3.3
117.07063	2.7
118.04188	2.0
119.02412	1.2
119.04974	3.3
121.06533	1.9
122.03667	4.1
127.03947	3.6
129.01874	2.4
129.06993	2.2
130.04170	1.8
131.04919	37.5
133.02834	6.8
133.06477	2.9
135.08107	1.5
137.05971	69.2
138.06303	2.4
141.05482	2.3
141.06975	2.5
143.04982	3.3
145.05013	2.7
145.06454	5.7
147.02963	1.9
147.04436	4.6
148.05214	6.0
149.06006	5.3
151.02689	2.8
151.03911	53.2
151.05000	4.1
151.07539	2.3
153.05460	1.4
157.06474	2.6
159.03004	1.6
159.04430	5.3
159.08067	1.5
160.05254	4.5
161.05984	8.8
163.07550	32.9
165.05476	4.0
167.07028	8.8
169.06477	4.1
171.04414	2.6
173.05968	8.1
175.03940	2.3
175.07536	20.6
176.04666	6.7
177.05479	5.8
177.09117	1.4
179.07076	7.3
181.04955	14.1
187.07474	9.1
189.02541	1.4
189.03983	6.4
189.05510	2.3
189.09099	3.2
190.06267	3.4
191.07024	100.0
192.07396	1.8
193.08644	1.6
197.05997	3.8
201.05386	2.0
201.09166	3.9
203.07036	13.3
205.08577	16.3
207.06444	1.6
209.08156	2.0
211.07471	1.8
214.06366	1.8
215.07086	4.7
217.08566	6.0
219.10077	1.4
225.05479	1.7
227.06960	2.3
229.08601	10.8
231.06512	2.7
232.43045	1.4
233.06010	1.1
233.08049	25.1
235.09637	9.5
237.09105	1.9
247.09685	2.3
249.09146	1.2
257.08051	11.2
263.09085	11.2
264.07843	1.6
265.10739	5.2
275.09146	8.6
277.08566	1.7
293.10446	1.7
299.09250	1.8
306.21747	1.3
323.18201	1.1
325.10754	2.2
326.11258	1.8
327.12326	1.8
337.10983	1.3
353.13907	3.2
355.11691	4.7
357.13287	2.5
361.09137	3.0
365.14413	1.4
369.13196	3.7
371.14874	5.4
379.10199	13.2
385.16388	1.5
387.14346	31.1
397.11267	1.5
549.21613	1.5
691.53217	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	850.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.4
66.04727	1.4
67.05518	2.4
68.99797	1.3
69.03430	3.8
69.76409	2.8
69.76811	1.8
71.53764	1.1
73.02926	2.2
79.05474	1.9
80.58386	1.1
81.03417	7.8
85.02901	15.7
87.00830	6.5
91.05487	3.6
93.03400	1.7
95.04971	3.9
97.02888	6.9
99.04461	1.6
103.03969	4.2
103.05459	16.3
105.01879	3.0
105.07040	3.0
107.04975	3.3
109.02879	8.1
109.06548	1.4
114.29498	1.1
115.05466	3.3
117.07063	2.7
118.04188	2.0
119.02412	1.2
119.04974	3.3
121.06533	1.9
122.03667	4.1
127.03947	3.6
129.01874	2.4
129.06993	2.2
130.04170	1.8
131.04919	37.5
133.02834	6.8
133.06477	2.9
135.08107	1.5
137.05971	69.2
138.06303	2.4
141.05482	2.3
141.06975	2.5
143.04982	3.3
145.05013	2.7
145.06454	5.7
147.02963	1.9
147.04436	4.6
148.05214	6.0
149.06006	5.3
151.02689	2.8
151.03911	53.2
151.05000	4.1
151.07539	2.3
153.05460	1.4
157.06474	2.6
159.03004	1.6
159.04430	5.3
159.08067	1.5
160.05254	4.5
161.05984	8.8
163.07550	32.9
165.05476	4.0
167.07028	8.8
169.06477	4.1
171.04414	2.6
173.05968	8.1
175.03940	2.3
175.07536	20.6
176.04666	6.7
177.05479	5.8
177.09117	1.4
179.07076	7.3
181.04955	14.1
187.07474	9.1
189.02541	1.4
189.03983	6.4
189.05510	2.3
189.09099	3.2
190.06267	3.4
191.07024	100.0
192.07396	1.8
193.08644	1.6
197.05997	3.8
201.05386	2.0
201.09166	3.9
203.07036	13.3
205.08577	16.3
207.06444	1.6
209.08156	2.0
211.07471	1.8
214.06366	1.8
215.07086	4.7
217.08566	6.0
219.10077	1.4
225.05479	1.7
227.06960	2.3
229.08601	10.8
231.06512	2.7
232.43045	1.4
233.06010	1.1
233.08049	25.1
235.09637	9.5
237.09105	1.9
247.09685	2.3
249.09146	1.2
257.08051	11.2
263.09085	11.2
264.07843	1.6
265.10739	5.2
275.09146	8.6
277.08566	1.7
293.10446	1.7
299.09250	1.8
306.21747	1.3
323.18201	1.1
325.10754	2.2
326.11258	1.8
327.12326	1.8
337.10983	1.3
353.13907	3.2
355.11691	4.7
357.13287	2.5
361.09137	3.0
365.14413	1.4
369.13196	3.7
371.14874	5.4
379.10199	13.2
385.16388	1.5
387.14346	31.1
397.11267	1.5
549.21613	1.5
691.53217	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	850.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.4
61.64290	0.9
65.03950	2.0
67.05472	1.2
68.99778	2.5
69.03418	4.1
70.60953	1.2
73.02907	2.4
79.05472	1.6
81.03410	6.9
81.07037	1.0
82.64545	0.8
85.02898	17.4
87.00817	6.6
91.05468	3.9
93.03450	1.0
94.04199	1.7
95.04973	2.9
97.02875	6.0
99.04432	1.9
103.03956	4.4
103.05457	16.5
105.01856	2.7
105.03428	1.4
105.07013	1.2
107.04944	4.3
108.54601	0.8
109.02848	8.5
109.06485	1.3
111.04271	1.0
115.05442	4.9
117.07018	4.8
118.04156	2.3
119.04929	2.7
122.03635	5.2
123.04408	1.2
125.05994	2.0
127.03894	3.3
128.06161	1.1
129.01833	3.7
129.06972	2.2
131.04919	32.7
132.05641	1.4
133.02849	5.6
133.06519	2.4
135.04475	1.1
137.05968	71.6
138.06322	1.3
141.05397	0.9
141.06982	2.1
143.04912	4.4
144.05708	1.3
145.04973	1.4
145.06479	8.5
146.03616	1.3
147.02907	1.6
147.04388	4.2
148.05176	8.0
149.05968	3.3
151.03897	51.5
151.04964	4.1
151.07605	1.7
152.04283	1.5
153.05443	1.9
157.06496	2.8
159.02925	2.4
159.04396	6.4
159.08032	1.2
160.05193	6.1
161.05977	9.0
163.07530	33.5
163.08890	2.2
164.07957	1.0
165.05487	3.0
165.06924	1.1
167.07014	10.7
169.06454	5.3
171.03003	1.3
171.04376	2.1
172.05219	1.2
173.05997	9.5
174.06757	1.9
175.07529	21.5
176.04701	6.6
177.05449	7.3
177.09070	2.4
179.07030	8.5
181.04971	14.9
181.06502	0.9
181.41225	1.0
183.04254	0.9
185.05963	1.9
187.07530	12.6
187.14812	1.2
189.03923	6.2
189.05481	2.4
189.09117	3.4
190.06268	2.1
191.07016	100.0
192.07434	2.9
193.08627	2.1
197.06023	5.0
199.07518	1.1
201.05484	2.4
201.09087	3.4
203.07011	14.9
205.06685	1.8
205.08566	18.6
207.10086	1.1
209.08038	2.8
211.07607	0.9
214.06230	1.3
215.07004	4.4
217.08582	6.0
219.10040	2.1
221.08003	2.2
225.05376	1.4
227.07022	1.2
229.08539	13.3
231.06433	2.8
233.05998	1.2
233.08069	24.0
234.06720	1.3
235.09627	12.5
237.09074	1.3
239.07127	2.1
241.08588	1.2
245.08086	1.7
247.09657	2.5
253.08470	1.4
257.08063	15.3
263.09131	11.0
265.08322	2.3
265.10742	6.6
267.10205	1.8
275.09058	7.9
277.08560	2.5
285.07703	0.9
289.10788	1.4
295.09564	1.7
300.09766	1.4
307.09641	1.8
309.11060	2.2
321.11179	2.0
327.12250	2.2
329.13855	1.2
337.10596	1.4
339.12259	2.8
341.13803	1.1
351.12039	1.3
353.13763	2.7
355.11716	4.9
357.13278	1.8
361.09113	3.1
365.13977	1.2
369.13269	5.0
371.14960	5.5
379.10205	17.7
385.16486	1.4
387.14343	37.2
426.35901	1.1
517.18097	1.3
517.58673	1.3
529.12335	1.1
549.21051	1.8
549.66357	1.0
611.59393	1.0
635.19196	2.5
758.66205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	1.7
65.03925	1.3
66.04712	0.8
67.05502	1.1
68.99784	2.4
69.03426	4.1
71.04970	0.9
72.81519	0.7
73.02897	1.1
75.04455	1.0
79.05478	1.8
80.10189	0.7
81.03407	5.7
85.02895	15.1
87.00825	8.2
91.05488	3.2
94.04181	1.5
95.04946	2.8
97.02879	6.7
97.06543	0.9
103.03955	5.7
103.05464	18.8
105.01838	3.3
105.03411	1.6
105.04613	0.7
105.07030	2.3
105.29064	0.7
107.04943	4.4
109.02869	7.8
109.06535	0.9
110.03640	0.8
111.04420	1.2
111.74896	0.6
115.05432	4.1
117.07009	4.5
118.04160	2.4
119.04943	3.5
119.08597	0.7
122.03655	3.0
123.04411	2.8
125.06008	1.9
127.03907	4.8
128.06300	0.9
129.01831	2.7
129.07002	2.6
130.04131	1.6
131.04919	36.5
132.05565	0.9
133.02850	4.3
133.06473	3.1
134.03662	0.8
135.04359	1.1
135.08022	1.3
137.05966	70.6
138.06277	1.2
141.05414	1.2
141.07024	1.9
143.04945	4.2
144.05705	1.7
145.02773	0.9
145.04984	1.4
145.06462	7.5
146.03638	1.6
147.02959	1.1
147.04385	4.0
147.08055	1.5
148.05186	7.0
149.05965	3.2
151.03905	56.5
151.04985	4.5
151.07460	1.1
152.04390	1.0
153.05435	2.8
155.06001	1.4
157.06459	2.7
157.41023	0.7
159.02940	1.7
159.04422	7.3
159.08104	0.9
160.05220	5.0
161.05972	6.3
163.03896	0.9
163.07533	34.0
165.05510	3.9
165.09088	1.1
167.07005	10.2
169.06459	5.1
171.02980	0.9
171.04382	2.5
172.05229	1.1
173.05963	9.2
174.06700	1.8
175.07536	20.1
176.04674	5.2
177.05478	6.3
177.09105	2.3
179.07039	7.8
181.04941	16.8
181.06400	1.2
183.04465	0.8
185.06007	1.2
186.06635	1.6
187.07523	10.7
188.04520	0.9
189.03961	6.4
189.05434	1.4
189.09052	4.5
190.06224	3.3
191.07016	100.0
192.07335	1.7
193.04944	1.0
193.08565	1.0
195.06528	1.4
197.05948	4.8
201.05350	1.3
201.09085	4.7
203.07021	13.4
205.06677	1.0
205.08568	18.8
207.10118	1.4
209.08037	1.3
210.09174	0.8
211.07478	1.0
214.06219	1.7
215.07028	5.5
217.06596	1.1
217.08542	6.1
219.10139	2.1
225.05467	1.3
227.07011	2.1
229.08577	12.5
231.06528	3.5
233.08040	18.9
233.10207	1.3
235.07513	1.1
235.09607	9.6
237.09177	1.8
239.06993	1.1
241.08592	0.9
247.07437	0.9
247.09662	2.3
249.09077	1.4
255.06496	0.8
257.08121	9.2
263.06781	0.9
263.09180	11.1
265.10815	7.6
267.10120	0.9
269.08142	0.9
271.09494	0.9
275.09064	6.4
277.08606	1.6
287.09027	1.0
292.07175	0.8
295.09595	1.7
297.11304	1.1
299.09186	1.3
300.09753	0.9
305.08109	0.9
307.09442	0.9
309.11035	1.7
317.10233	1.2
321.11353	1.1
325.10797	0.8
327.12259	2.1
329.13782	1.5
334.38892	0.8
337.10745	1.3
339.12170	1.9
341.13556	2.1
341.17758	0.7
353.13693	2.1
355.11752	5.1
357.13174	3.0
359.14636	1.6
361.09143	2.6
368.24814	0.7
369.13394	3.4
371.14856	6.0
379.10190	11.9
385.16266	1.8
387.14352	30.1
388.15189	1.0
397.11148	2.2
501.18842	1.0
517.18103	1.4
549.20892	2.4
602.12701	0.9
706.84027	0.8
710.57043	0.9
815.82813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86843	0.6
70.25156	1.6
90.97347	0.5
155.61606	0.6
185.04208	3.0
203.05266	3.2
275.07510	2.0
305.08524	2.5
347.09485	10.3
347.13287	0.9
365.10562	27.2
366.10730	0.8
405.78055	0.7
407.11639	1.6
425.19928	0.7
437.12900	1.2
467.13535	3.2
488.94226	0.7
491.41168	0.7
509.14706	5.9
527.15814	46.1
528.16730	1.4
569.17163	1.1
588.88599	0.8
595.52411	0.6
608.23932	0.6
629.19012	4.2
671.20154	2.5
689.21057	54.7
690.21381	1.9
733.28265	0.8
851.26288	100.0
852.26727	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	852.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.6
65.89024	0.1
67.05494	0.9
69.03429	1.6
81.03413	3.0
85.02892	1.6
91.05445	0.4
93.03402	1.3
95.04974	1.2
97.02877	1.5
98.08739	0.2
99.04429	0.4
99.73506	0.2
103.05470	0.4
105.07001	0.2
108.02066	1.2
109.02865	1.5
110.03661	0.3
111.04446	2.2
119.04939	0.5
121.03955	0.2
123.04398	0.2
125.05983	2.8
127.03899	0.9
129.06926	0.2
131.04916	0.5
136.01535	0.4
136.11386	0.2
137.05975	3.8
141.05453	1.5
145.04951	0.2
145.06522	0.2
149.05989	0.2
151.03903	100.0
151.04951	5.8
151.07350	2.5
152.04260	1.6
157.06442	0.2
161.05981	0.8
163.07515	1.5
169.04962	7.9
175.07529	0.5
177.09116	2.3
189.09146	1.1
207.06490	0.2
207.10210	0.2
209.07990	0.2
210.14894	0.2
219.10127	0.2
221.05971	0.2
221.09631	0.4
221.11618	0.4
225.09126	0.4
227.10678	0.7
249.08968	0.3
249.11273	0.2
253.08884	0.2
253.12238	0.6
255.10168	0.6
267.10123	0.2
272.10822	0.2
275.71152	0.2
283.08102	2.5
285.11215	0.8
287.12808	1.2
295.08112	3.8
297.11243	0.3
299.12677	0.5
311.12817	0.5
313.09152	12.1
313.14273	1.0
314.09357	0.3
315.12393	0.2
325.14252	0.3
331.15387	8.1
332.15634	0.4
341.13620	0.3
343.15329	1.7
355.15399	0.5
379.15250	0.2
385.16345	0.3
397.16882	0.3
403.15265	0.3
421.16486	1.6
439.17395	0.6
481.18668	0.5
493.18439	0.2
505.18747	0.2
555.67780	0.2
589.20715	0.2
607.21112	0.5
625.23114	0.5
726.26636	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	852.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.5
69.07052	0.8
71.08627	9.1
73.02904	1.3
73.06544	0.8
77.03409	0.3
79.05485	0.6
81.07044	0.5
83.08613	0.4
85.10175	4.6
87.04462	100.0
88.04794	0.8
89.06026	5.1
91.05478	3.5
93.07034	1.2
95.04932	0.9
98.23508	0.8
99.95721	0.3
103.05458	0.8
105.07019	6.5
106.07386	0.8
107.04958	0.6
107.08601	0.8
109.10174	0.4
116.26883	0.3
117.06952	0.4
117.09107	0.8
119.04932	0.6
119.08599	1.4
121.02914	0.4
121.06483	3.8
121.10146	0.4
131.07027	4.5
131.08601	0.8
132.09422	0.4
133.08591	3.3
135.08060	0.9
135.11690	0.6
136.05177	0.4
145.10185	0.5
147.08040	2.4
149.09625	1.3
149.13329	0.4
150.06889	0.3
163.11221	0.7
165.09091	1.4
173.09663	0.4
173.13354	0.3
175.09673	1.8
175.11069	0.4
177.11229	1.1
177.12708	0.4
191.10654	1.1
193.12340	0.5
209.11751	0.9
219.12265	3.9
229.99730	0.4
235.13374	0.4
247.20593	3.7
251.14317	0.5
263.14911	0.7
273.22153	1.0
276.81717	0.3
289.25162	0.5
291.23102	5.4
317.24713	0.6
335.25793	1.0
544.84753	0.3
610.73102	0.3
736.66833	0.4
817.42792	0.3
852.56812	5.7
853.56958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	5.2
67.05498	6.8
69.03423	3.5
69.07071	0.7
69.36880	2.8
70.31269	0.5
71.01359	0.6
73.02914	5.0
75.72974	0.5
79.05488	2.1
81.03416	1.5
81.07073	2.5
83.04963	0.6
83.08612	0.9
85.02895	6.4
87.04470	1.3
89.06036	1.1
91.03932	3.1
91.05476	1.1
93.07047	2.3
95.08610	1.7
97.02892	4.8
98.23422	1.1
99.04468	0.5
101.02380	1.9
103.03917	0.5
105.07028	4.0
107.08605	1.4
109.02885	1.0
109.10152	5.2
116.66251	0.5
119.04968	0.6
119.08581	1.0
121.10172	0.6
121.57642	0.5
126.30030	0.5
127.03928	1.9
133.08609	0.7
147.04416	1.4
173.11778	1.6
185.04181	0.9
203.05318	0.6
229.14293	0.6
243.08514	1.9
305.12314	0.5
347.09589	1.3
363.09055	0.6
365.10327	0.6
405.13782	4.5
413.17743	7.0
519.29449	3.7
523.39838	0.6
575.14178	1.1
575.22919	8.9
576.23334	0.7
609.95935	0.7
670.82275	0.6
681.34100	3.6
691.40356	1.4
853.45422	100.0
854.45953	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	853.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	8.3
67.05502	6.2
69.03424	5.2
69.07072	1.0
70.33154	0.5
71.01367	1.2
71.05009	0.6
73.02916	4.6
73.08225	0.5
79.05480	3.2
81.03020	0.5
81.03403	2.6
81.07050	4.3
82.57845	0.5
83.08624	0.5
85.02901	8.9
87.04468	0.9
89.06056	0.6
91.03949	4.7
91.05483	1.6
93.07050	3.0
95.04996	1.0
95.08593	2.4
97.02885	8.8
97.03482	0.7
99.04483	1.1
101.02383	2.9
103.04010	0.7
105.07041	2.8
107.04942	0.8
107.08592	1.8
109.02902	1.5
109.10144	4.9
115.03960	0.8
119.08628	1.7
121.10162	1.1
127.03967	2.3
131.08675	0.8
135.11732	0.9
145.04944	0.5
147.04468	1.1
159.11743	0.7
173.11823	0.8
185.04240	0.8
195.09985	1.1
203.05254	0.7
224.46132	0.5
243.08351	2.6
347.09366	2.9
365.10739	0.9
405.13684	7.1
413.17862	7.7
519.29456	7.7
575.22809	4.2
681.34595	7.9
691.40686	1.5
784.97668	0.7
853.45447	100.0
854.45715	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	854.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	1.8
61.10940	1.2
65.03923	3.3
67.05499	49.8
69.03421	10.2
69.07064	32.8
69.20727	1.1
71.04987	3.6
73.02900	2.6
73.06534	1.8
79.05487	41.9
79.28281	1.1
81.03408	10.0
81.07050	46.2
81.55554	1.1
83.04977	6.6
83.08626	14.1
85.02898	3.6
85.06517	2.3
87.04461	7.7
89.06020	7.0
91.03951	1.3
91.05474	39.8
92.05820	1.6
93.07040	39.8
95.04953	17.4
95.08596	22.7
97.02888	10.1
97.06519	11.6
97.10163	11.5
98.23599	2.2
99.08100	1.7
103.05419	1.5
105.04534	1.6
105.07025	45.1
105.07745	2.5
106.07359	2.0
107.04948	9.4
107.08582	26.5
109.02867	1.3
109.06521	6.9
109.10149	14.1
111.04427	1.5
111.08089	1.9
113.00043	1.9
113.06017	1.7
114.03804	1.7
115.05424	2.0
117.07006	15.2
117.09115	1.5
119.04875	1.4
119.08578	20.6
121.06492	7.2
121.10149	10.6
123.08042	4.1
123.11737	2.3
125.09623	11.1
127.03915	1.6
128.06233	2.0
129.06984	5.0
131.08566	17.9
133.06499	3.2
133.08588	3.7
133.10118	17.7
135.08051	7.4
135.11674	7.3
136.05080	1.6
137.09616	2.5
139.01520	8.2
139.11209	1.3
141.06969	1.8
143.08560	6.9
145.10123	14.3
147.04388	1.7
147.08057	9.9
147.11676	6.1
149.09622	8.8
149.13239	7.5
151.11197	3.3
155.08640	2.1
157.10118	5.2
159.08110	1.5
159.11674	12.6
161.09572	4.0
161.13219	2.1
163.11133	6.4
165.09167	1.9
169.10141	2.4
169.12259	1.5
171.11650	3.1
173.09645	1.4
173.13264	3.5
175.11192	1.7
177.11305	1.8
177.12740	4.0
179.08412	1.5
179.14249	2.1
180.07671	1.6
181.10126	1.5
183.04207	1.2
183.11708	2.7
185.13219	2.6
187.11166	2.1
189.11194	5.1
189.12752	1.4
195.13776	4.0
199.14691	1.3
205.12245	1.2
213.14746	1.3
223.13275	16.4
224.13658	1.7
225.12767	2.5
225.45097	1.2
227.12714	12.9
229.19470	1.7
233.15372	1.7
235.13342	1.1
239.17792	1.3
245.18915	1.4
247.20605	2.0
249.14900	3.5
251.16525	1.2
253.14453	2.7
255.15936	4.9
256.16064	1.3
257.19046	4.9
263.20203	1.8
265.07086	1.3
267.15759	2.3
269.17480	14.5
273.18488	13.3
275.20044	16.9
291.19531	100.0
292.19894	3.7
293.21408	2.0
309.20493	1.6
331.22470	2.5
347.22101	3.4
349.23697	18.9
359.67599	1.2
365.23224	35.5
367.24884	2.2
461.29166	1.3
472.84494	1.2
519.32800	1.5
535.32800	2.0
541.34753	1.6
543.36639	1.8
545.34796	12.0
559.36169	38.6
560.36224	2.6
599.38904	2.2
639.42609	21.1
640.41388	1.7
657.43518	3.0
703.40076	1.3
717.21313	1.7
844.68164	1.4
854.45929	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	854.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34526	0.6
67.05508	1.3
69.03429	1.4
69.07066	1.5
71.05001	1.0
71.08630	34.1
73.02912	1.8
73.06548	5.2
77.03932	0.5
79.05495	2.4
81.07053	1.1
83.08637	0.8
85.10178	20.4
87.04464	34.0
89.06026	100.0
90.04687	0.8
90.06358	0.8
91.05476	11.9
93.07049	5.1
93.81888	0.5
95.04971	2.6
95.08592	1.2
103.05476	2.1
104.06300	0.6
105.04556	0.9
105.07019	5.1
107.04909	2.9
107.07066	1.8
107.08578	3.3
109.06496	0.6
109.10147	0.8
113.06010	0.8
117.07020	2.5
117.09130	2.5
118.07814	1.7
119.04948	2.4
119.08588	4.9
121.06499	14.6
121.10144	2.0
123.08066	1.4
127.14844	2.4
129.07008	0.6
130.08623	1.0
131.07036	13.8
131.08586	1.8
133.08598	64.4
134.08955	1.0
135.08063	5.0
135.11688	1.6
137.09665	0.7
145.10135	1.7
147.08022	9.3
147.87228	0.6
149.09593	4.2
149.13200	0.6
150.06744	1.1
159.10135	0.5
159.11734	1.0
161.09631	1.0
161.11777	1.0
163.11139	3.2
165.09070	4.6
165.96754	0.6
167.10704	1.8
175.09665	10.4
175.11168	1.3
177.11221	26.7
177.12659	1.3
191.10593	3.3
193.12265	2.9
209.11752	2.1
211.13255	2.7
219.12294	2.5
221.13837	5.6
223.15504	1.1
235.13330	2.6
247.20560	16.0
253.14479	1.2
255.15944	3.1
261.22046	0.8
263.14682	0.9
265.16492	1.5
273.22128	4.3
277.97519	0.6
279.15881	1.6
283.17542	1.0
289.21912	0.7
289.25241	1.8
291.23166	25.1
292.23471	1.1
297.16934	0.6
299.18564	0.8
309.19177	1.4
317.24707	2.6
323.18634	0.6
326.49860	0.6
327.20139	0.6
333.24234	1.1
335.25815	5.8
353.21759	1.6
373.76205	0.6
448.73825	0.6
742.93292	0.6
754.97028	0.7
837.55035	3.1
854.45990	0.6
854.58545	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	855.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04852	0.6
70.70724	0.6
74.89366	0.6
80.82707	0.7
84.96024	9.4
98.97569	7.6
102.97057	1.3
110.97569	3.8
112.99144	1.6
116.98605	3.7
124.99148	1.4
128.98589	5.1
131.00172	1.0
134.99664	0.8
140.98630	2.7
143.00189	3.7
144.98105	1.1
146.99680	2.0
151.03912	2.4
152.98657	1.0
155.00195	1.2
158.99651	9.0
161.01260	1.8
162.99275	0.7
170.99663	6.0
173.01227	1.3
177.00719	7.7
182.99707	1.0
185.01302	1.0
186.99199	0.8
189.00653	4.6
195.01784	1.4
201.00662	4.7
206.99792	1.9
213.00826	1.3
219.01645	3.4
221.01205	1.2
223.99962	2.5
225.00809	2.6
227.02286	1.8
231.01875	1.2
234.99220	0.9
237.02916	0.7
239.02190	5.3
243.01735	18.8
243.04041	1.0
247.01186	0.7
249.00778	2.2
253.00319	2.2
257.03314	19.2
261.00656	0.8
261.02838	19.0
267.01672	6.2
275.04361	5.5
279.03940	3.1
281.03281	12.2
285.02795	7.3
293.03397	2.4
295.04996	1.6
299.04355	11.8
303.04059	1.0
309.02762	4.5
311.04498	2.9
313.05853	1.1
315.03644	0.8
315.78754	0.7
321.02689	4.7
323.04526	1.6
327.03793	4.3
339.03851	9.4
341.05450	1.0
347.04269	0.9
351.03925	3.0
357.05072	1.8
358.01111	0.7
365.05417	1.4
369.04996	5.9
387.05997	2.2
393.04938	1.3
411.06186	1.6
423.07870	3.4
429.06979	3.7
471.07922	3.6
503.79645	0.8
513.09167	3.4
531.10242	1.5
573.11243	100.0
574.11322	4.5
587.50604	0.8
591.12543	4.1
693.16187	8.9
811.69714	0.9
855.21655	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	856.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69814	1.8
60.45576	1.4
61.02921	71.0
65.03927	3.0
67.05495	55.0
69.03425	11.0
69.07057	11.1
69.44954	1.4
71.04976	4.6
73.02534	2.6
73.02910	28.0
75.04484	1.8
79.05486	36.6
81.03412	4.3
81.07048	62.7
83.08613	8.2
85.02894	93.2
87.04456	2.7
89.06010	3.8
91.03944	86.2
91.05462	20.2
93.07037	38.5
95.04939	5.4
95.08592	50.2
97.02881	49.1
97.06544	2.1
97.10178	2.5
99.04443	4.4
99.08031	2.2
105.04517	2.4
105.07011	17.4
107.08581	26.4
107.80152	1.5
109.02859	4.0
109.10148	29.5
111.08054	2.6
111.11716	1.6
115.03896	4.7
117.06258	1.6
117.07024	5.6
119.08587	11.7
121.10136	27.5
123.08073	1.8
123.11691	16.6
124.04001	1.4
125.09650	2.0
127.03014	3.1
127.03902	37.2
131.08562	18.6
133.10130	10.9
135.11673	24.3
137.13222	5.9
145.04941	48.8
145.10089	14.7
147.11691	9.2
149.13252	19.5
151.11172	2.2
151.14748	3.6
159.11688	13.7
161.13254	11.1
163.06003	100.0
163.11177	1.9
163.14812	13.9
165.12744	2.8
173.13219	15.7
175.14836	3.9
177.12836	2.6
177.16350	6.5
179.14304	2.9
187.14841	8.8
201.16385	3.1
205.15875	2.7
233.22533	2.9
243.21089	33.3
248.21289	1.6
261.22104	92.2
262.22461	2.7
263.23529	2.5
279.23141	3.7
325.11090	5.3
325.20779	1.6
335.21811	4.0
335.25717	39.5
353.26828	72.8
354.27188	3.0
461.28906	1.8
497.30737	8.0
720.54657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.0
65.03938	6.5
67.05501	88.3
69.03423	11.2
69.07063	44.0
69.62399	7.3
71.04983	6.4
73.02914	3.0
77.03926	3.0
79.05486	77.2
81.03423	16.8
81.07051	100.0
81.26739	2.1
83.04978	13.4
83.08623	17.2
85.02908	8.8
85.06530	5.8
87.04466	3.9
89.06026	6.1
91.05042	1.4
91.05468	70.3
93.07035	75.7
95.04962	21.8
95.08601	43.2
95.09205	2.7
97.02878	6.3
97.06527	22.2
97.10127	10.2
99.08086	4.6
103.05476	4.7
105.04504	5.8
105.07019	64.3
105.07736	3.3
106.07354	2.3
107.04947	14.9
107.08590	45.1
109.06525	9.2
109.10145	17.0
111.08079	7.4
112.99995	2.2
113.09592	1.8
115.05470	3.8
117.07007	29.2
118.40855	1.8
119.08562	37.4
121.06506	10.7
121.10145	24.4
123.08066	5.3
123.11688	6.6
125.09638	10.9
127.03907	4.2
128.06200	2.7
129.06966	8.9
130.07774	2.0
131.08559	33.3
133.06494	3.6
133.08569	2.3
133.10120	32.1
135.08061	6.7
135.11679	22.5
135.44020	1.5
137.09596	5.8
139.01546	4.7
140.01802	1.9
141.07013	3.2
142.07733	1.8
143.08545	8.0
145.06519	4.1
145.10112	27.4
147.08029	2.7
147.11676	18.2
149.09615	16.7
149.13251	14.2
151.11185	5.0
153.03134	1.8
155.08510	4.0
157.10126	9.2
159.07993	2.5
159.11674	25.8
161.09656	2.0
161.13266	6.8
163.11172	13.8
165.12759	2.5
167.10651	2.3
168.09399	1.9
169.10066	6.5
171.11722	6.6
173.04439	5.2
173.09674	3.2
173.13222	10.6
175.11079	2.6
177.11226	2.3
177.12750	7.2
179.10718	1.7
179.14320	5.3
181.10109	2.8
181.12178	4.0
183.11682	6.5
185.13263	3.4
187.11163	2.1
187.14760	2.5
189.11212	5.5
189.12793	3.1
195.13783	8.0
195.60959	1.7
197.13284	4.2
209.13315	2.2
217.15967	2.4
225.12656	2.2
227.12685	9.3
229.19499	3.4
233.15349	2.3
235.14861	2.2
239.17969	6.4
247.20540	3.0
251.16449	3.4
255.15881	20.5
257.18970	8.7
267.15909	4.2
269.17456	47.4
273.18536	3.6
275.20056	49.0
276.20358	3.2
287.97189	1.9
291.19632	3.8
293.21051	5.1
331.22598	3.5
349.23633	41.1
350.23895	2.1
365.23590	3.8
367.24722	7.8
394.84863	2.0
433.30896	2.4
435.27539	4.3
445.29449	4.4
449.28922	25.3
463.24374	3.2
463.30472	33.7
469.33209	2.2
525.35602	4.6
529.35120	6.6
543.36725	38.3
544.37018	2.7
561.37299	7.4
607.35046	2.6
623.42700	5.5
641.43475	6.9
791.46759	2.2
857.44757	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	856.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39634	5.4
65.77934	4.8
67.05505	99.7
69.07067	24.4
69.13949	23.2
69.14368	12.8
71.04986	7.1
73.76901	5.1
79.05054	6.1
79.05495	81.5
81.03384	6.0
81.07051	82.2
83.04954	6.4
83.08595	11.3
87.04461	8.8
89.06020	15.8
91.05482	71.8
93.07045	65.8
95.04955	14.0
95.08599	49.7
97.06540	6.7
97.10187	9.0
98.23454	8.5
103.05460	8.2
105.07024	100.0
106.07345	8.6
107.04919	8.8
107.08611	27.9
109.06558	7.8
109.10133	18.9
117.07012	16.1
119.08578	27.0
121.06482	8.7
121.10141	28.6
123.11659	5.7
129.07040	6.4
131.08582	20.4
133.08594	10.8
133.10103	20.1
135.11667	15.0
143.08499	7.4
145.10126	15.9
147.08022	7.0
147.11636	12.0
149.13283	10.7
157.10126	8.5
159.11682	14.4
187.14665	4.9
199.14914	5.4
202.32112	5.6
221.79999	5.2
229.14357	22.3
242.67149	5.3
261.22427	6.0
267.15845	7.7
269.17508	18.4
275.19995	21.6
309.20508	6.0
319.73969	5.7
335.25812	78.3
349.23657	23.1
489.35602	15.4
529.38867	66.0
569.41931	73.0
609.45386	36.5
641.47528	8.5
783.22845	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	859.4801
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02913	3.9
67.05498	9.4
68.05844	0.7
69.03426	3.7
69.07063	5.3
69.13017	3.3
71.04997	1.5
71.08641	0.8
73.02906	5.0
73.06552	0.7
76.79498	0.6
79.05487	9.1
81.03416	2.3
81.07056	10.1
82.07368	1.2
83.04977	1.2
83.08617	1.6
85.02879	4.0
87.04459	3.5
89.06020	5.6
91.03970	2.0
91.05460	7.0
93.07032	7.6
94.07398	0.8
95.04958	4.1
95.08603	4.7
97.02891	4.5
97.06536	2.0
97.10192	2.0
99.08076	0.7
101.02397	1.8
103.03961	2.8
103.05489	1.4
103.07586	1.0
105.03373	0.6
105.07018	20.1
106.07378	2.3
107.04961	1.3
107.07084	0.7
107.07964	0.8
107.08596	4.1
107.09254	0.6
109.06532	1.6
109.10165	2.3
115.07786	0.6
117.05578	0.6
117.07017	2.4
119.04993	0.7
119.08541	3.7
121.06467	1.5
121.10150	2.3
122.23498	0.7
125.09666	1.4
127.03954	0.7
131.07066	0.8
131.08539	3.2
133.08548	3.1
133.10152	2.2
135.11697	1.4
143.08539	1.0
145.10118	1.3
147.08020	4.2
147.11742	1.6
149.09650	1.8
149.13283	1.1
157.10095	0.8
159.11765	1.9
163.07603	0.7
163.11162	0.7
171.11551	0.7
177.11267	2.1
184.07341	1.0
185.04262	0.7
223.13197	1.3
225.12825	2.0
229.14351	1.0
240.14330	0.6
243.08391	3.1
267.15921	0.7
291.19611	3.6
292.19995	0.7
331.18784	1.5
333.20404	1.1
335.25797	3.1
336.26422	2.1
365.23712	0.9
389.23090	0.9
422.86465	0.7
451.40823	0.7
453.21179	1.0
530.39087	0.7
549.26581	6.7
551.28339	6.5
626.45099	1.1
644.46423	1.2
647.55927	0.8
859.48016	100.0
860.48187	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	860.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.8
61.44934	0.2
66.74281	0.2
69.03432	0.8
71.40652	0.3
72.50272	0.2
73.02925	0.3
81.03422	0.4
84.86426	0.2
85.02892	2.5
89.03898	2.4
91.03965	0.5
97.02887	1.4
98.48106	0.3
99.04453	0.3
109.02888	0.5
117.03377	9.0
127.03929	1.5
134.03622	0.6
135.04428	0.6
145.02840	36.0
145.04869	1.1
146.03242	0.4
148.24403	0.2
149.05983	3.4
151.03882	0.6
163.03838	0.5
163.06027	1.3
168.02895	0.3
177.05461	100.0
178.05803	2.1
186.05440	0.3
190.06628	0.3
195.06561	0.6
195.64937	0.2
201.58864	0.2
267.68951	0.3
278.21027	0.3
279.08691	0.5
303.92297	0.2
321.09686	0.3
325.11221	0.5
339.10727	27.8
340.11108	0.9
377.12286	0.3
501.15759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.9
65.03929	0.3
67.02978	0.2
67.05495	4.3
69.03417	0.9
69.07068	0.8
69.09459	1.0
71.01325	0.2
71.04975	0.3
73.02891	0.7
77.03934	0.2
79.05044	0.3
79.05479	3.7
81.03408	6.7
81.07043	4.2
83.04958	0.5
83.08607	1.5
85.02884	1.4
86.09659	0.5
87.04430	0.3
88.43108	0.2
89.06012	0.3
90.94061	0.1
91.03930	0.7
91.04939	0.2
91.05472	3.4
93.07030	3.5
94.04041	0.2
95.04953	2.9
95.08593	2.7
97.02885	0.9
97.06521	0.2
97.10143	0.3
101.02369	0.2
105.04479	0.2
105.07011	2.5
106.80185	0.2
107.04940	0.5
107.08582	1.6
109.05099	0.2
109.06485	0.3
109.10160	1.2
111.08057	0.7
115.05444	0.2
117.06981	0.4
119.03541	1.0
119.08562	1.9
121.10141	1.4
123.08038	0.3
124.99969	0.5
127.03799	0.2
129.06984	1.0
131.08537	1.2
133.10098	0.8
135.11662	0.7
136.06165	100.0
137.04550	1.3
137.06604	0.9
137.13226	0.2
142.07663	0.2
144.25343	0.2
145.10135	0.4
147.08051	0.3
147.11656	0.6
149.09618	0.5
149.13295	0.3
157.10104	0.5
159.11687	0.3
161.13277	0.2
173.13335	0.2
174.07787	0.3
175.11185	0.8
178.07301	0.3
184.07329	2.0
187.14854	0.2
193.12186	2.0
210.09883	0.2
211.13248	0.3
261.22211	0.7
267.15863	3.2
335.25803	3.3
346.15070	0.2
346.18616	0.8
420.22617	0.7
497.30731	0.2
527.37183	1.2
545.38629	0.6
574.08582	0.2
680.43738	4.2
681.44757	0.3
698.44751	12.9
699.44836	1.2
842.48926	2.4
860.50018	6.2
861.49567	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	861.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.0
67.05493	0.7
68.99784	0.3
69.03428	1.5
69.84680	0.3
71.01349	0.1
71.04992	0.2
72.02776	0.1
73.02926	0.1
77.03936	0.1
79.11861	0.1
81.03419	3.3
81.09235	0.1
84.02140	0.2
85.02904	1.8
87.00831	0.4
91.05498	0.5
93.03410	0.5
95.04992	0.9
97.02882	1.0
98.16318	0.1
99.04462	0.6
105.01868	0.3
105.04507	0.3
108.02110	1.3
109.02878	2.4
110.03644	0.2
111.04443	1.0
112.01603	0.3
115.05442	0.1
119.04959	0.4
121.02891	0.5
121.03922	0.2
123.04436	0.2
125.05971	0.7
127.00304	0.3
127.03921	1.5
136.01547	0.3
140.01062	0.6
141.05461	1.4
141.06508	0.2
145.04964	0.6
151.03909	58.8
151.05003	5.4
152.04204	0.8
159.02879	0.5
168.00551	4.7
169.01303	0.2
169.04973	2.9
169.06409	0.2
183.02899	6.0
186.01591	3.0
205.08229	0.1
213.03926	0.2
225.09097	0.1
231.04907	0.2
235.05988	0.4
258.05182	1.1
259.05902	0.2
268.03690	0.8
269.04443	0.4
277.06842	0.2
285.03854	0.8
286.04709	20.8
287.04938	0.5
295.08118	3.1
296.08521	0.2
301.07053	100.0
302.07367	3.1
313.09186	2.5
322.75272	0.1
381.07886	0.3
508.91925	0.1
559.25861	0.1
613.15082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.3
69.18880	3.5
69.19282	2.3
70.06578	1.5
71.04984	2.5
73.02915	13.1
73.06545	9.2
78.99505	3.3
79.05508	1.6
84.08145	1.2
87.04472	12.5
89.06028	32.7
103.07572	100.0
104.07923	1.9
113.00014	9.9
113.06038	2.7
115.07566	4.2
117.09106	11.8
121.02811	2.6
122.68484	1.0
127.01556	81.5
131.07048	1.5
133.08583	15.9
138.45534	1.1
139.01535	31.3
147.04373	1.8
147.10143	43.9
147.71669	1.0
149.05872	1.6
153.03102	88.8
159.10150	3.1
161.11702	4.4
177.05533	1.1
177.11142	5.2
180.75804	1.0
183.04144	9.4
191.12688	1.7
197.05725	40.9
214.54150	1.1
219.37462	1.2
227.06723	4.4
228.58736	1.2
241.08331	11.0
259.09497	2.6
271.09323	5.8
285.10864	3.6
287.05441	1.7
315.12045	3.7
321.23523	1.1
329.13434	1.5
450.57208	1.2
683.13135	1.6
700.14618	2.0
845.44427	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	862.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	0.3
63.14951	0.3
63.29660	0.3
67.05501	0.4
69.03427	0.4
70.55972	0.5
73.02893	0.7
73.06542	0.3
77.03922	0.8
79.05487	5.9
80.69774	0.3
81.07064	0.6
85.02908	0.5
87.04461	100.0
88.04758	0.5
89.06022	4.1
91.05465	2.7
93.07052	0.8
95.04965	3.3
103.05466	5.3
105.04522	1.2
105.07021	86.4
106.07366	1.8
109.10175	0.2
113.00002	0.9
116.06235	0.3
117.07025	0.4
117.09093	0.6
119.08582	0.5
121.06486	2.8
121.10061	0.3
129.06982	0.7
131.07056	2.2
131.08540	3.5
132.08943	0.4
133.08589	2.0
133.10117	0.5
135.89830	0.3
139.01541	2.5
147.08046	1.7
147.11766	0.4
149.09587	0.5
158.06378	0.5
165.09187	0.5
173.09579	0.5
175.09674	0.6
177.11235	0.5
183.04227	0.5
191.10603	0.4
209.13298	0.3
214.96498	0.3
219.12263	3.5
223.11053	0.8
225.12708	4.7
251.14270	7.0
252.14688	0.4
253.15910	1.4
263.14819	0.5
267.17508	0.3
269.15436	1.5
295.16916	0.4
313.18018	0.6
327.17221	0.7
329.18994	3.3
355.20343	0.4
373.21512	2.2
387.47183	0.3
477.28091	1.4
623.49475	0.3
637.34845	0.5
694.69989	0.4
862.53101	8.9
863.50769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.4
67.05485	0.3
67.09065	0.2
73.02924	0.7
73.06556	0.7
77.03919	1.0
79.05488	6.7
79.05949	0.4
81.07040	0.2
87.04463	100.0
88.04798	0.7
89.06026	3.3
91.05474	2.5
93.07046	0.6
95.04966	3.8
98.22709	0.5
103.05463	5.8
105.04610	1.2
105.07024	94.8
106.07363	2.0
112.99999	0.9
114.03803	0.2
115.05461	0.2
116.06235	0.4
117.07018	0.4
117.09153	0.4
119.04948	0.3
119.08575	0.5
121.06508	2.6
124.99965	0.3
126.63562	0.2
129.07005	0.8
131.07048	2.4
131.08560	2.8
133.06554	0.2
133.08582	1.5
133.10110	0.3
136.05031	0.4
139.01527	1.9
145.06537	0.2
147.08069	1.3
149.09601	0.4
155.08549	0.4
158.06374	0.2
165.07002	0.4
165.09090	0.3
169.10020	0.3
173.42294	0.2
175.09630	0.8
175.11079	0.2
177.11217	0.8
179.08589	0.2
180.07756	0.3
181.10077	0.4
183.04271	0.4
191.10516	0.2
200.97926	0.2
209.11488	0.2
209.13324	0.3
219.12265	3.6
223.11084	0.7
225.12729	3.4
236.86880	0.2
249.12646	0.2
251.14281	5.5
253.15996	0.9
263.14838	0.5
267.13669	0.3
269.15332	1.3
283.03372	0.2
295.16928	0.2
313.17905	0.8
327.17419	0.9
329.18976	3.3
330.19205	0.2
373.21686	2.0
401.23373	0.2
477.27899	1.0
486.82059	0.3
585.45593	0.2
637.35138	0.7
861.52484	0.4
862.52716	5.0
863.51263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05310	0.5
61.02914	0.3
63.02382	0.3
65.03918	0.5
67.05483	0.7
69.03401	0.4
70.67400	0.3
70.88519	0.2
73.02924	1.7
73.06557	2.5
77.03918	0.8
79.05484	7.8
79.05944	0.5
80.45145	0.3
81.07053	0.7
87.04453	4.5
89.06023	10.3
91.05470	13.2
91.48176	0.3
92.05852	0.3
93.06508	0.3
93.07046	2.0
95.04965	4.4
95.08628	0.3
103.05460	8.0
103.07571	50.2
104.07896	0.3
105.04572	1.9
105.07019	100.0
106.07353	2.0
107.04958	3.0
107.07059	0.3
113.06008	0.7
115.05434	0.7
116.06226	0.6
117.07006	1.9
117.09119	2.6
119.04945	1.2
119.08568	5.9
121.06493	13.4
123.39757	0.3
128.06184	1.4
129.06984	4.1
131.07083	1.3
131.08545	9.4
132.05682	1.2
133.06477	0.6
133.08594	6.8
133.10126	1.0
135.08044	0.9
136.06171	2.1
139.01576	0.5
145.06459	1.0
147.08041	44.3
147.10110	19.6
148.08386	0.8
149.09593	7.7
152.61043	0.3
153.03075	0.4
161.11765	0.8
163.07484	0.4
163.11185	0.5
165.07010	0.5
165.09111	0.8
166.07797	0.4
173.09537	1.4
175.09648	1.1
175.11125	0.5
177.11235	2.7
179.08569	0.5
181.10136	1.8
184.07317	0.3
191.11002	0.3
191.12720	1.3
193.10223	0.3
193.12222	0.5
207.08041	0.4
207.11711	0.4
209.09740	0.3
209.11546	0.4
209.13316	0.5
221.09637	0.3
221.13811	0.5
223.11215	1.8
225.12718	21.3
226.13094	0.6
233.13393	0.3
233.92883	0.3
235.15236	0.5
236.15575	0.3
237.12802	0.4
249.12700	2.9
251.14336	3.1
253.16187	0.3
267.13824	0.8
269.15353	2.4
271.15411	0.5
295.17020	0.6
304.36096	0.3
311.16403	0.5
313.17972	1.0
315.18430	0.4
327.17462	0.7
329.19077	0.7
343.21301	0.3
373.21552	5.7
862.51007	12.3
863.51288	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	862.531
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	0.8
69.03450	0.4
73.02921	1.4
73.06553	2.6
77.03934	0.7
79.05479	6.7
79.05873	0.5
81.03416	0.6
81.07052	0.7
87.04458	4.0
89.06020	10.6
91.05476	12.1
93.07033	1.6
95.04974	3.6
95.08571	0.6
97.29668	0.4
98.23595	0.9
103.05473	7.4
103.07572	53.9
105.04535	1.9
105.07021	100.0
106.07346	1.5
107.04940	1.5
109.90897	0.4
116.06208	0.7
116.88155	0.4
117.06980	1.3
117.09105	3.2
119.04922	1.4
119.08565	4.4
121.06491	13.3
128.06180	0.8
129.06996	3.7
131.07001	1.7
131.08556	9.6
132.05641	1.1
133.06445	0.8
133.07739	0.5
133.08607	7.7
133.09633	0.5
133.10081	0.9
135.08014	0.6
136.06175	5.2
145.06415	1.3
147.08043	47.7
147.10109	21.9
148.08290	1.1
148.10449	0.4
149.08502	0.6
149.09610	10.1
155.05937	0.5
161.11543	0.5
165.09007	0.5
165.11069	0.4
166.07767	0.8
173.09515	0.8
175.09560	0.7
175.11008	0.5
177.11221	2.4
179.08485	0.4
180.09204	0.4
181.10091	2.5
191.10568	0.6
191.12659	1.5
194.41992	0.4
200.11223	0.4
208.08694	0.7
209.13271	0.6
221.13525	0.5
223.11142	1.9
225.12723	23.3
226.12921	0.8
235.15010	0.7
237.12604	0.7
249.12715	4.4
251.14410	2.3
253.16212	0.4
267.13412	0.8
269.15369	2.3
311.16229	0.6
313.17502	1.2
315.17548	0.4
327.16962	0.7
373.21634	6.2
445.25143	0.5
741.39893	0.4
831.81903	0.4
845.47900	0.5
862.47083	11.2
863.46863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44959	2.3
100.22975	2.0
121.62833	2.4
131.04935	2.7
172.99767	2.4
258.51395	2.3
278.05396	3.3
292.05707	4.1
293.06497	8.6
303.05051	5.4
304.05835	7.0
358.03140	3.1
362.06421	11.2
390.05524	3.9
391.06680	3.4
435.10867	12.6
446.04822	13.6
462.08167	7.1
463.10269	9.3
488.05499	8.6
488.11249	8.8
506.11304	2.6
532.10022	3.4
548.12860	5.1
560.09375	29.0
574.11090	3.7
576.11981	2.9
592.12067	100.0
593.12231	6.3
594.13196	5.5
739.15222	14.1
845.18970	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	863.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.0
67.05501	4.8
69.03412	2.4
69.07056	2.4
71.43723	0.6
73.02914	2.5
79.05491	4.4
81.03423	1.0
81.07053	3.2
83.08620	0.6
85.02897	3.3
87.04462	0.5
89.06033	0.6
91.03951	1.5
91.05470	3.1
93.07033	3.6
95.05001	1.2
95.08592	2.1
97.02885	3.5
97.10181	1.2
99.04459	0.5
99.08110	0.4
101.02390	1.0
105.07011	2.9
107.08595	2.3
109.02907	0.9
109.10175	1.7
117.07041	0.5
119.08609	1.3
121.10144	0.8
125.09663	0.8
127.03911	1.2
129.05464	0.5
131.08582	1.0
133.10127	1.3
135.08133	0.5
135.11786	0.7
136.06187	0.9
145.04974	0.4
147.04410	1.0
147.11699	1.5
149.09703	0.5
149.13274	0.4
159.11790	0.5
161.13278	1.0
184.07370	0.8
185.04289	0.8
193.12297	0.4
203.05322	0.5
243.08403	2.4
246.53096	0.4
259.07858	0.4
301.09094	0.7
315.10416	1.0
351.21432	2.4
382.53281	0.4
407.24118	0.8
465.20856	0.5
479.16891	0.7
535.28589	3.8
541.23157	0.6
569.29327	9.6
570.29980	0.6
641.31934	0.8
801.41443	0.6
863.51154	100.0
864.51453	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	864.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	0.5
65.03650	0.1
65.03936	1.9
67.05502	0.7
69.03427	1.0
70.90919	0.2
73.02895	0.3
81.03388	0.5
81.03837	0.1
82.04174	0.5
85.02415	0.2
85.02898	3.7
91.03938	0.6
93.03367	0.5
95.04938	0.5
97.02890	1.2
97.06535	0.7
99.04428	0.3
101.02398	0.2
108.02060	0.4
109.02845	0.5
110.03653	0.9
111.04402	0.5
125.05958	0.7
127.03028	0.2
127.03897	2.3
128.76817	0.1
138.03094	0.7
140.04674	1.3
142.02591	0.6
145.04945	1.4
153.05447	1.7
155.07037	0.5
163.05980	1.3
171.06509	3.7
181.04939	100.0
182.05281	1.5
185.85922	0.1
199.05937	0.5
223.06015	1.3
283.07941	0.2
293.47833	0.2
325.08551	0.2
325.11765	0.2
343.10208	32.3
344.10373	1.0
505.15479	0.6
540.12347	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	864.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	6.6
62.66615	0.5
65.05216	0.5
68.99793	2.7
69.03429	36.5
69.07055	1.7
71.01368	1.9
71.04992	3.9
71.42879	0.8
73.02914	17.7
74.44504	0.5
79.05482	0.8
81.03416	27.2
81.07010	0.6
83.01341	0.9
83.04981	1.3
85.02901	100.0
86.03230	1.0
86.09729	0.6
87.00827	44.6
87.04464	1.8
91.03963	1.5
93.07042	0.6
95.01322	4.6
95.05010	1.5
97.02890	54.8
99.04449	13.7
101.02375	1.7
103.03932	2.7
105.01864	81.5
106.02185	0.7
107.04924	1.2
109.02876	49.4
111.04433	2.0
111.30983	0.6
113.02351	1.1
115.03940	3.2
117.01827	3.6
121.02795	0.8
123.00787	0.9
123.04439	1.5
125.02402	1.2
127.03910	97.3
128.04234	0.7
129.01819	4.7
131.03358	0.6
137.02397	0.8
139.03899	1.6
141.01817	11.1
145.04951	34.8
147.02896	3.0
147.04399	1.0
149.05942	0.8
151.03886	2.1
159.02890	24.0
163.03983	0.6
163.06085	0.9
169.04945	2.2
171.02927	1.5
177.03951	2.0
177.05383	0.7
181.04961	1.7
183.02969	0.9
187.06058	1.2
189.03923	4.2
193.05067	0.9
195.02687	0.6
211.06119	0.6
213.03922	21.4
217.06851	0.6
223.06062	2.6
231.04984	58.0
232.05365	0.7
241.07060	1.8
249.06039	42.6
253.07054	2.8
271.08231	3.5
273.06104	4.7
285.06021	1.6
315.06970	0.7
327.06967	1.5
345.08151	1.7
357.07913	3.0
363.09308	4.3
371.06198	0.9
375.09219	5.6
389.06882	2.8
393.10330	13.2
407.08105	2.2
411.11322	8.0
449.69476	0.6
687.21124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79290	0.2
67.05502	0.2
69.07046	0.2
69.76690	0.2
69.77032	0.5
72.84044	0.1
78.03453	0.8
79.04243	0.1
79.05479	0.2
80.05011	4.1
80.15063	0.1
80.19473	0.1
81.07032	0.3
91.05438	0.2
93.07021	0.2
94.04191	0.2
95.08610	0.2
96.04487	3.2
97.06489	0.1
105.06990	0.3
106.02896	1.2
107.08588	0.3
119.08574	0.6
121.10107	0.2
122.03647	0.6
124.03939	100.0
125.04287	1.4
127.62216	0.2
131.08594	0.2
133.10109	0.4
135.11728	0.3
137.05962	18.5
140.03406	0.2
143.08614	0.2
145.10110	0.2
147.11693	0.3
157.10103	0.3
159.11652	0.3
161.13260	0.4
169.10222	0.2
170.15338	0.3
171.11749	0.2
182.15480	0.8
183.11679	0.2
187.14885	0.2
195.11795	0.2
207.11696	0.2
229.06094	0.4
267.17697	0.2
272.43256	0.2
295.16977	0.3
306.20544	1.0
313.18127	0.4
436.21201	3.1
559.24323	30.8
560.16571	0.3
560.24597	2.0
677.33636	0.2
871.32440	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	864.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.1
69.03418	0.2
69.66891	0.4
73.02888	0.3
73.06554	0.9
74.06039	0.1
77.03908	0.6
79.05484	5.9
87.04462	6.0
89.06023	31.9
90.06351	0.3
91.05464	2.4
91.07602	0.3
93.07042	0.5
95.04955	3.0
98.23389	0.2
103.04765	0.2
103.05460	5.1
105.04626	1.1
105.07021	100.0
106.07361	1.6
107.07075	1.0
113.05987	0.2
115.05420	0.1
116.06219	0.2
116.08128	0.1
117.07026	0.4
117.09122	0.7
119.04920	0.4
119.08534	0.6
121.06498	4.3
128.06181	0.2
129.07013	1.2
130.08617	0.5
131.07063	1.9
131.08554	5.1
133.08594	22.1
133.10187	0.6
134.08914	0.2
135.10103	0.1
139.01550	0.2
141.06993	0.1
145.06503	0.4
147.08040	2.5
149.09581	0.7
155.08510	0.2
157.08650	0.1
161.11736	0.2
165.07036	0.3
165.09093	0.8
166.07785	0.5
167.08540	0.2
173.09584	0.4
175.09659	1.5
177.11206	8.3
179.08562	0.2
179.12802	0.1
181.10126	0.4
184.07361	0.2
191.10672	0.4
192.09378	0.2
193.12280	0.1
195.12167	0.2
197.09590	0.1
207.08046	0.1
209.11649	0.3
209.13293	0.4
211.13206	0.1
219.12285	0.3
221.13806	1.7
223.11079	0.8
223.15346	0.2
225.12711	6.0
226.13008	0.2
227.12759	0.2
235.12981	0.2
235.15085	0.3
236.11761	0.1
239.14708	0.4
249.12679	0.5
251.14294	9.3
252.14716	0.3
253.15953	1.9
255.15726	0.3
265.16379	0.4
267.13763	0.4
269.15332	2.4
271.15320	0.2
279.15875	0.1
283.17508	0.6
285.01819	0.1
295.17053	0.6
309.19070	0.3
311.16452	0.4
313.17966	1.3
315.18073	0.2
327.17242	1.7
328.17505	0.1
329.18964	6.6
330.19412	0.3
353.18649	0.2
355.20108	0.4
357.20587	0.4
359.20734	0.2
371.19946	0.4
373.21573	3.7
374.21979	0.3
375.21701	0.2
401.23050	0.2
403.23083	0.1
415.22614	0.2
417.24203	0.2
419.24170	0.2
463.27072	0.2
477.27863	2.2
491.27817	0.1
507.29343	0.3
535.30994	0.2
551.31763	0.2
595.34613	0.2
639.37183	1.9
640.37457	0.2
743.43469	1.0
847.49493	0.2
864.52014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.2
69.89326	0.6
73.02926	0.3
73.06544	1.2
77.03925	0.8
79.05486	5.9
81.03396	0.3
87.04464	6.0
88.56377	0.2
89.06026	32.9
90.06364	0.3
91.05464	2.7
91.07569	0.2
93.07024	0.5
95.04964	2.9
98.23413	0.2
102.85019	0.2
103.05461	5.4
103.06106	0.4
105.04627	1.3
105.07023	100.0
106.07354	1.4
107.04971	0.2
107.07063	0.6
116.06237	0.3
117.07030	0.4
117.09126	0.7
119.04973	0.3
119.08569	0.6
121.06501	3.7
129.07005	0.9
130.08640	0.4
131.07069	1.9
131.08557	5.2
133.08595	22.0
133.10196	0.6
136.06209	0.2
145.06467	0.2
147.08047	2.8
149.09618	0.7
154.07806	0.2
157.08571	0.3
163.07494	0.2
165.06940	0.5
165.09088	0.6
166.07750	0.4
173.09535	0.5
175.09669	1.3
177.11208	7.7
181.10114	0.4
193.12202	0.4
209.13248	0.4
219.12260	0.4
221.13855	1.7
223.11131	0.7
223.15314	0.3
225.12715	6.6
227.12761	0.3
239.14868	0.4
249.12666	0.4
251.14285	10.2
253.15947	2.1
255.15919	0.2
265.16455	0.4
267.13577	0.3
269.15421	2.2
283.17480	0.6
295.16800	0.4
308.15219	0.2
309.18912	0.4
311.16141	0.4
313.17975	1.6
314.18533	0.2
323.18561	0.3
327.17163	1.3
327.20688	0.3
328.06708	0.2
329.18964	7.1
330.19400	0.3
331.99765	0.2
355.20233	0.4
371.19733	0.3
373.21564	3.9
401.23364	0.2
429.24390	0.2
477.27802	2.7
507.29172	0.3
535.31085	0.3
551.31561	0.5
595.34698	0.3
639.37207	1.8
743.43640	1.1
864.50787	0.6
873.74731	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	866.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59357	0.8
64.18965	0.8
67.01831	1.2
67.05446	0.7
69.03379	3.1
72.99763	0.7
78.03426	1.4
81.03380	2.2
81.06968	0.8
83.04951	3.4
91.05448	1.4
93.06997	1.4
95.08572	1.0
96.04453	0.9
98.22519	1.1
103.05421	1.3
105.06976	3.0
106.02853	2.5
111.04462	3.3
119.08515	2.2
119.36853	0.7
121.97955	0.7
124.03950	26.7
128.06140	0.7
129.06941	1.2
131.04953	4.0
131.08537	2.1
133.10168	1.0
140.03418	1.8
141.06955	0.6
143.08510	2.3
145.10109	1.1
155.08511	1.1
157.10085	2.2
157.14360	0.8
159.11621	1.3
162.01752	0.8
169.10138	1.7
171.11681	1.1
173.09723	0.8
173.13289	1.3
175.14748	1.2
177.09079	0.8
179.08545	0.8
183.11636	0.9
185.13206	2.3
187.11098	1.0
188.03317	0.6
190.01335	30.9
203.14275	2.8
204.01230	0.9
204.02943	8.4
208.02399	62.4
209.02699	1.0
209.13237	0.9
222.03949	4.5
232.00340	1.0
232.02423	10.1
250.03519	1.2
267.17462	1.2
294.07593	31.9
295.17007	1.1
308.09201	2.0
313.17944	1.2
336.08646	100.0
337.09097	2.1
344.18570	1.1
353.11307	92.9
354.11707	2.9
436.21841	0.8
454.22266	1.3
514.24225	2.2
633.13074	0.8
759.39349	0.7
796.24194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.6
65.03937	1.4
67.05504	6.3
68.99777	2.0
69.03404	0.7
69.07045	0.9
71.38986	0.6
71.41966	0.7
73.02906	1.0
79.05489	4.0
81.07046	4.1
85.02896	1.9
87.04459	11.6
89.06007	1.0
89.09077	0.7
91.03924	0.9
91.05474	4.2
93.07018	4.9
95.04980	1.9
95.08604	1.2
97.02903	1.5
105.07032	1.8
107.01317	0.9
107.04937	1.4
107.08596	2.2
109.02856	1.0
111.04467	0.9
117.07034	1.2
119.04924	5.0
119.08566	1.0
121.02851	29.9
121.10136	1.4
127.03923	1.4
131.04916	0.9
131.08569	0.8
133.06488	0.7
133.10124	1.3
135.11705	1.3
137.02348	0.7
141.01859	1.5
145.02808	3.8
145.10109	1.0
147.04395	3.5
149.02361	1.9
151.03908	2.6
153.05373	0.8
157.01317	1.2
159.04478	1.4
161.05980	0.8
163.03888	4.7
163.11180	1.4
165.05469	1.4
167.03384	5.0
167.07030	1.0
169.04994	1.7
169.06371	0.8
173.05974	1.1
173.83452	0.7
175.03960	1.4
177.05460	0.9
181.05011	1.1
185.06009	0.9
187.03902	1.0
187.07556	1.1
189.05484	0.9
191.03398	0.8
197.05998	2.5
201.05286	1.0
215.06889	1.0
217.05182	0.9
227.07056	1.4
229.04977	4.2
231.06522	1.5
239.07071	4.4
241.04974	3.7
241.12190	0.9
243.06543	3.2
247.06024	1.1
251.07047	2.1
253.08676	1.3
255.06509	21.8
257.04382	3.1
257.08115	0.7
259.05820	0.8
265.04898	1.2
265.08578	3.0
267.06503	65.1
268.07025	2.3
269.05161	1.1
269.08044	7.5
271.06055	2.3
271.13364	0.7
275.05557	2.4
277.08722	5.5
279.06369	0.9
279.10291	1.8
281.04941	0.6
281.08078	4.1
283.06018	4.7
287.02307	0.7
289.08582	2.1
291.06677	0.9
291.10120	1.3
293.08020	8.2
295.06082	2.4
295.09262	1.5
303.10068	1.1
305.08060	2.6
307.06219	1.4
307.09525	1.3
309.07541	1.3
317.08102	1.5
321.11029	0.8
359.16183	3.2
361.17963	2.6
369.14835	1.2
377.17401	6.1
379.19089	1.9
387.15860	12.3
389.17603	1.6
395.18463	2.7
405.16922	20.7
406.17175	1.1
407.18448	1.1
415.15588	3.1
423.17981	15.9
433.16397	18.3
434.16556	0.9
451.17487	62.4
452.18091	4.3
469.18591	8.8
491.16586	1.1
507.19916	1.9
525.21143	100.0
526.21570	5.9
543.22174	36.8
544.22571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.7
65.03938	1.3
67.01871	4.7
67.05492	2.8
68.99789	2.1
69.03410	1.5
70.06597	1.3
71.01358	0.8
71.42820	0.9
73.02955	1.0
79.05466	2.2
81.03423	1.2
81.07051	2.6
85.02905	2.2
87.04479	1.1
89.06033	4.3
91.03918	1.2
91.05492	4.2
93.07029	2.3
95.04981	1.6
95.08580	1.3
97.02866	2.0
105.07018	1.7
107.04945	1.1
107.08620	1.0
109.10148	1.0
119.04969	4.3
119.08576	0.6
121.02861	29.2
121.10155	0.7
129.06992	0.8
131.04944	0.7
133.08627	1.2
141.01833	2.2
145.02824	4.8
145.06499	1.1
147.04378	1.7
149.02342	1.6
151.03909	1.5
155.03389	0.8
157.01328	1.6
162.19818	0.7
163.03929	6.3
167.03410	2.1
167.07050	1.6
167.08690	0.8
173.06003	1.7
175.03865	1.1
177.05490	1.3
177.11154	0.9
181.04961	1.6
187.03923	2.4
187.07529	1.1
201.05418	0.9
211.03949	1.2
213.05484	1.3
215.07060	1.1
227.07011	1.7
229.04932	6.9
231.06648	2.2
239.07083	3.1
241.04948	3.9
243.06551	2.2
243.13760	0.9
247.06004	7.0
251.07059	1.8
255.06543	10.2
257.04498	4.2
265.05023	2.2
265.08701	1.1
267.06509	29.7
269.07990	1.3
271.06079	1.2
275.05643	3.8
277.08600	4.1
279.06766	0.9
281.08170	3.3
283.05994	2.0
287.16382	1.9
289.08600	1.3
291.06921	1.0
291.10172	1.6
293.08078	4.6
295.06372	0.8
295.09723	1.5
305.08054	2.2
307.06183	0.8
307.09866	0.9
309.07590	1.5
333.75946	0.7
349.18524	0.7
359.16516	1.3
361.17984	1.0
377.17380	4.7
379.19006	10.0
387.16000	8.1
389.17297	3.5
395.18649	3.1
405.16934	16.6
407.18512	16.4
415.15399	2.7
423.17969	13.8
433.16498	12.1
437.11929	5.4
441.19183	0.9
451.17508	65.8
452.17847	2.1
453.09424	10.8
469.18625	9.9
497.21661	2.1
507.20358	1.4
515.22626	0.7
525.21179	100.0
526.21448	5.1
543.22229	39.3
544.22723	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	868.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44989	0.4
65.95674	0.6
66.66283	0.5
69.10529	3.0
72.93788	1.2
77.03905	0.6
83.97414	0.5
90.94823	1.7
91.05480	0.5
95.04939	1.5
103.05463	25.8
104.05788	3.8
104.72009	0.4
105.04521	0.6
131.04916	74.2
132.05247	11.2
139.19801	0.5
146.03662	0.5
185.00784	0.5
200.94838	0.9
212.94878	0.6
212.97067	1.2
213.95607	2.0
215.81602	0.4
217.94949	0.5
218.95976	0.6
221.92458	1.0
222.93277	1.0
227.93504	1.5
228.94489	0.8
230.95837	1.4
230.98038	0.5
231.96584	2.8
239.93527	2.5
240.94260	10.9
241.94791	2.1
246.95280	0.6
249.95625	0.5
250.32932	0.5
252.94423	0.5
253.91487	4.4
254.92126	0.6
257.94556	22.7
258.95340	9.0
259.95929	1.9
261.95602	1.3
271.05734	0.6
271.92545	3.2
277.95175	0.5
280.96085	0.8
281.94604	2.0
296.98447	0.6
299.02304	1.1
305.94589	1.0
314.99588	0.8
315.99991	1.0
317.03525	2.7
318.03702	1.2
319.99347	0.6
324.98120	0.6
325.98724	1.2
327.02142	0.7
328.00153	0.7
333.00803	0.6
333.94006	3.0
335.04428	1.6
336.04932	0.7
342.99023	2.0
343.99582	2.2
345.00531	1.9
351.95023	1.7
355.96121	0.8
356.96463	1.5
357.96866	0.6
359.99268	1.9
360.92712	0.6
360.99875	2.3
361.93457	3.7
362.00162	0.8
362.94284	1.3
363.01395	1.5
363.95044	1.4
366.71902	0.6
377.92865	0.8
378.93555	0.6
379.94559	1.7
388.92480	1.4
389.93008	39.7
390.93567	1.2
406.93213	1.6
407.93970	1.0
435.98798	1.1
436.98969	0.9
451.98178	2.9
463.98505	0.8
467.00635	0.6
468.01672	0.6
475.98276	0.7
491.97687	3.4
492.98169	2.9
493.99222	16.7
494.99658	1.3
510.99490	2.2
511.99741	1.9
556.03900	0.8
568.04578	1.8
579.06110	1.8
580.06305	3.6
596.03876	9.4
597.04626	10.9
598.05469	100.0
599.05951	5.1
659.20099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59248	0.2
65.03918	0.4
67.74718	0.2
69.03413	0.3
71.04971	0.9
72.75976	0.3
73.02911	3.4
73.06547	1.7
77.03925	1.0
78.99493	1.6
79.05038	0.4
79.05487	6.8
83.12556	0.2
87.04458	4.5
89.05457	0.5
89.06018	12.3
91.05469	13.1
92.05759	0.3
93.07034	1.2
93.24474	0.3
95.04958	3.9
98.23417	0.8
103.05455	7.3
103.07578	2.7
105.04568	1.6
105.07017	100.0
106.07346	1.5
107.04955	2.0
109.58718	0.2
113.00004	3.9
113.05993	0.5
115.05419	0.8
115.07553	1.2
116.06197	0.6
117.06996	2.1
117.09109	1.2
119.04902	1.2
119.08567	5.6
119.09406	0.4
121.05602	0.6
121.06487	11.6
127.01553	33.7
128.06171	1.7
129.06985	3.8
130.08553	0.3
131.07011	1.1
131.08546	11.4
132.05656	1.5
133.06467	0.9
133.08580	8.3
133.10083	1.4
135.08020	0.6
139.01529	13.4
145.06502	1.4
145.10110	0.3
147.08031	49.7
147.10075	2.1
148.08359	1.0
149.09602	9.3
153.03096	42.6
154.03481	0.5
155.06042	0.6
159.08057	0.3
159.10162	0.7
163.07498	0.3
163.11136	0.4
165.09071	1.0
171.08022	0.3
173.09631	1.4
175.09583	0.8
175.11096	0.6
177.11205	2.1
178.07687	0.6
179.08569	0.6
181.10071	2.2
183.04155	4.9
191.10582	0.7
192.09303	0.3
193.10257	0.4
193.12173	0.7
197.05716	20.5
198.06099	0.3
198.32265	0.2
207.11670	0.5
208.08641	0.5
209.09695	0.4
209.11525	0.3
209.13318	0.4
211.48878	0.3
215.06717	0.5
221.09326	0.3
221.13664	0.5
222.10300	0.6
223.11183	2.9
225.12712	25.6
226.13028	0.6
227.06717	2.6
237.12759	0.5
241.08359	5.3
244.31070	0.3
249.12720	3.6
251.14267	4.2
255.15985	0.3
259.09363	1.0
267.13724	0.8
269.15262	1.6
271.09369	2.5
280.79907	0.3
285.10965	2.2
295.16965	0.4
303.11966	0.9
311.16327	0.4
313.17908	0.9
315.11981	1.4
327.17285	0.7
329.13486	0.7
329.18832	1.0
333.71146	0.3
347.14410	0.7
359.14456	0.7
373.16876	0.5
373.21606	6.7
391.17050	0.8
403.16794	0.3
435.19775	0.5
659.78925	0.3
747.36084	1.1
783.48315	0.3
851.42212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	0.7
69.86655	1.6
70.00614	0.6
71.04981	0.9
73.02912	3.6
73.06546	2.5
78.99480	1.3
79.05490	8.3
81.50944	0.6
87.04463	4.6
89.06027	12.3
91.05479	14.8
93.07029	1.7
95.04968	5.3
95.08595	0.8
100.21451	0.7
103.05451	7.2
103.06024	0.9
103.07575	3.1
105.04536	2.1
105.07024	100.0
106.07309	0.9
107.04939	2.1
107.69630	0.6
113.00022	3.4
113.00747	0.6
115.05453	1.1
115.07592	0.8
116.06220	0.7
117.07014	3.3
117.09141	0.8
119.04959	0.9
119.08586	6.9
121.06505	11.7
127.01558	36.7
128.06221	2.2
129.07007	5.2
131.07053	1.8
131.08557	10.8
132.05701	1.2
133.08600	6.5
133.10149	1.4
139.01541	12.2
145.06464	1.2
147.08037	47.9
149.09608	10.7
153.03104	39.3
159.10211	0.9
165.07124	0.8
173.09589	1.2
175.09648	0.8
175.11089	0.7
177.11230	2.2
178.07924	0.8
179.08612	0.8
181.10149	2.0
183.04152	4.4
197.05719	18.9
223.11107	3.6
223.34561	0.7
225.12714	23.8
227.06812	1.3
241.08369	4.5
249.12784	3.9
251.14207	3.3
259.09473	0.7
269.15524	1.9
271.09393	2.6
277.15936	0.7
285.11029	2.2
313.17975	1.4
315.11923	1.5
327.17569	0.9
329.18805	0.9
373.21503	4.2
485.49963	0.8
570.24091	0.7
644.74860	0.8
747.36212	0.9
851.42242	1.3
868.49518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	0.3
65.03927	0.2
67.05508	0.7
67.58082	0.1
68.99786	0.2
69.03426	0.2
70.06573	0.1
71.04980	0.2
71.42447	0.1
73.02917	0.7
73.06562	0.8
79.05492	0.5
81.03425	0.2
81.07042	0.5
81.69989	0.1
85.02890	0.3
87.04465	100.0
88.04799	0.6
89.06019	2.4
91.05479	0.5
93.07043	0.4
95.04957	0.2
95.08566	0.2
97.02888	0.3
105.07040	0.3
107.04990	0.2
107.07079	0.1
107.08547	0.2
107.97269	0.1
109.02795	0.2
109.10140	0.1
115.07516	0.1
117.09134	1.0
119.04935	0.5
121.02867	2.6
122.03213	0.5
131.07027	3.2
133.08598	1.6
133.10129	0.2
145.02834	0.3
149.02309	0.2
151.03951	0.3
159.04425	0.1
161.11758	0.3
163.03911	0.3
163.11234	0.2
164.04295	0.2
167.03406	0.4
168.03801	0.1
169.05017	0.2
175.09700	0.8
177.05484	0.2
177.11249	0.5
181.04926	0.2
187.03944	0.2
187.07544	0.2
193.10645	0.2
197.06018	0.3
219.12270	3.6
227.07097	0.2
229.04813	0.2
239.07031	0.3
241.04982	0.4
242.05655	0.2
243.06476	0.2
255.06526	1.2
256.06778	0.8
257.04465	0.2
258.04886	0.1
263.14935	0.5
265.08585	0.2
266.08954	0.1
267.06540	4.2
268.06857	2.9
269.07962	0.6
270.08426	0.5
272.06461	0.2
277.08664	0.4
278.08960	0.2
279.10223	0.2
281.07993	0.2
282.08389	0.2
283.06021	0.2
289.08731	0.2
293.08054	0.6
294.08530	0.3
295.06091	0.2
307.17557	0.2
320.64743	0.1
359.16541	0.2
360.16534	0.2
361.17813	0.2
370.15259	0.1
377.17374	0.2
378.17819	0.3
379.18613	0.1
387.15833	0.5
388.16422	0.6
389.17059	0.2
390.17749	0.2
405.17038	1.0
406.17361	1.6
416.15671	0.2
423.18265	0.7
424.18359	0.7
433.16617	0.9
434.16711	1.1
451.17484	2.6
452.17828	4.6
453.18002	0.2
469.18341	0.4
470.18994	0.8
492.16803	0.1
493.18326	0.2
508.20343	0.2
525.21228	3.5
525.29236	0.2
526.21533	8.1
527.21863	0.4
543.22339	1.0
544.22577	2.5
677.76141	0.1
868.50745	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	869.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21741	0.3
65.03941	1.9
67.05496	13.5
69.03426	1.2
69.07059	4.2
69.08499	2.2
71.04982	0.6
77.03910	0.6
78.03437	0.7
79.05487	38.2
80.05006	3.3
81.07052	9.0
83.04968	2.2
83.08614	8.9
84.08924	0.4
85.06527	1.1
87.79020	0.4
91.05472	27.5
92.06261	0.4
93.07036	10.6
95.04975	3.2
95.08594	8.0
95.09140	0.7
96.04475	2.5
97.06534	1.2
97.10161	12.4
103.05466	0.7
105.04549	1.2
105.07023	28.7
106.02926	1.0
107.08584	100.0
108.08937	1.4
109.06518	4.9
109.10151	5.5
111.08067	1.4
115.05453	0.6
117.06990	3.5
119.06100	2.8
119.08563	10.4
121.06483	0.6
121.10133	5.4
123.08141	0.4
123.11681	1.1
124.03942	86.2
125.04270	1.0
125.09617	10.8
125.10503	0.7
128.06154	0.4
129.07014	1.2
130.07800	0.6
131.08559	5.9
133.10118	14.0
135.08031	1.7
135.11667	2.7
137.09579	0.6
141.06935	0.4
143.08560	1.2
143.10713	0.7
145.10120	10.9
147.11673	10.3
149.09587	1.4
149.13283	0.5
153.09099	0.9
153.12744	1.6
153.54584	0.4
155.08565	0.9
155.10631	1.0
157.10120	2.1
159.11688	4.1
161.09581	0.6
161.13239	1.8
163.11203	1.4
167.08595	0.4
169.10088	1.3
171.10237	0.9
171.11696	2.6
173.09586	0.6
173.11743	4.3
173.13257	1.2
175.11201	0.8
181.10144	0.5
181.10727	0.5
181.12186	3.4
183.11700	1.3
185.13177	0.6
187.13269	0.8
187.14828	0.8
189.11205	13.4
193.10149	0.6
207.11835	0.5
211.14853	1.1
213.16331	0.6
215.14317	0.9
229.19530	0.9
235.14769	0.6
239.17966	3.0
239.45125	0.5
257.18979	7.0
275.20041	55.8
276.20416	1.7
293.21130	0.8
295.17017	1.2
313.17978	4.7
331.18961	1.0
391.41351	0.4
436.15112	0.5
436.21112	8.0
446.35632	0.5
454.22229	4.4
461.60065	0.4
577.25409	12.4
578.25177	0.5
744.48779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.3
69.28963	0.8
69.29350	0.7
78.03425	0.8
80.05014	3.6
89.06003	0.3
90.18783	0.3
93.07043	0.5
95.08558	0.4
96.04491	3.4
98.22739	0.7
105.07023	0.7
106.02898	1.5
107.08575	0.6
119.08547	0.3
124.03945	100.0
125.04282	0.8
140.33670	0.4
161.13258	0.5
183.11694	0.6
229.06334	0.4
295.16849	0.6
436.21170	2.8
523.04474	0.3
544.50739	0.3
559.24341	40.6
560.24408	2.3
869.43762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.7
67.05492	1.0
69.03425	1.4
69.07041	0.2
77.03911	0.3
79.05477	0.6
81.03407	3.2
82.04181	0.7
85.02895	3.0
88.68262	0.2
93.03395	0.6
93.07026	0.2
95.04947	1.8
97.02894	1.1
97.06520	1.1
98.04003	0.2
99.04417	0.4
105.04498	0.2
108.02102	0.5
109.02867	1.6
110.03651	1.5
111.04429	0.8
123.04416	1.1
125.02352	0.2
125.05984	1.2
127.03914	0.5
130.96948	0.2
132.71207	0.2
138.03056	0.9
140.04665	6.1
142.02568	0.6
151.03909	0.4
151.07529	0.3
153.05441	3.0
155.07013	2.9
160.06793	0.2
161.05923	0.3
163.07516	5.6
171.06500	3.9
175.07549	0.2
177.09091	0.8
181.04930	100.0
182.05267	1.6
189.09074	0.3
199.05989	7.0
203.10635	1.8
215.10623	0.4
221.11717	2.9
285.18417	1.3
303.16159	0.4
303.19485	3.5
307.08029	0.3
313.18066	0.5
325.09140	3.3
331.19019	4.3
332.19147	0.2
343.10193	10.5
347.18661	0.3
349.20068	6.1
351.84912	0.2
391.83405	0.2
404.82214	0.2
753.20477	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	870.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	0.2
69.33888	0.5
69.34277	0.4
71.04990	0.4
73.02912	1.0
73.06551	1.7
78.68705	0.2
83.56550	0.2
87.04460	100.0
88.04801	0.7
89.06023	27.0
90.06323	0.3
98.22724	0.4
107.07056	1.0
113.06020	0.6
115.07547	0.3
115.65491	0.2
117.09122	1.7
127.01592	0.5
131.07036	4.9
133.08591	16.5
152.14841	0.2
153.03094	0.4
157.08655	0.2
159.10150	0.2
161.11742	0.6
175.09647	2.0
177.11206	5.3
193.10739	0.2
219.12242	4.1
221.13779	1.2
263.14941	0.5
265.16440	0.3
283.17517	0.2
287.27118	0.2
309.19016	0.4
353.21716	0.2
507.72046	0.2
662.04169	0.2
853.50281	0.2
870.51617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.4
67.05502	6.5
68.05006	0.4
69.06715	0.3
69.07069	3.8
69.67059	1.2
70.02962	0.4
70.06577	0.9
70.55705	0.3
71.08614	1.1
72.04511	1.6
74.06073	2.2
74.30293	0.3
80.05007	1.1
81.07054	7.1
82.06567	1.7
83.04982	0.5
83.08614	2.9
86.06042	0.6
90.05543	1.0
91.05480	2.2
93.06543	0.4
93.07042	2.5
94.06564	0.4
95.04957	0.6
95.08024	0.5
95.08602	6.5
97.06548	0.3
97.10191	1.5
98.06030	0.4
100.07598	0.4
103.11272	0.3
105.04485	0.3
105.07028	0.6
107.08604	1.5
108.08118	0.3
109.06522	0.4
109.10186	1.8
111.08076	0.4
112.07618	0.8
112.57458	0.3
119.08553	1.0
121.10146	1.7
123.11707	0.6
124.03948	4.0
125.04310	0.6
133.10158	0.9
135.11652	0.8
136.11136	0.4
137.13225	0.4
147.11748	0.4
157.26196	0.3
237.91850	0.3
250.25302	1.4
251.23767	0.3
262.25259	1.4
263.23691	0.4
268.26505	0.6
280.26340	7.8
298.27393	9.6
316.28436	100.0
317.28763	3.7
426.34052	0.3
430.87546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85667	0.3
69.03422	0.9
70.23042	0.6
70.23379	0.4
71.04988	0.8
73.02909	2.8
73.06552	3.8
87.04463	25.0
89.06024	100.0
90.06360	0.5
91.07589	0.9
107.07053	2.7
113.05994	1.5
115.07569	0.8
117.09129	2.5
130.08635	0.8
130.99409	0.3
131.07034	6.0
133.08594	60.4
134.08954	1.0
135.10194	0.5
142.03624	0.3
150.90092	0.3
151.09665	0.4
157.08615	0.7
158.18993	0.3
159.10207	0.5
161.11722	0.8
172.63954	0.3
175.09673	3.7
177.11209	20.3
178.11589	0.4
193.10733	0.3
203.12784	0.3
219.12262	1.2
221.13820	3.7
239.14951	0.7
239.17885	0.3
248.93881	0.3
265.16379	0.9
283.17432	1.0
309.19086	0.5
320.31949	0.4
327.20328	0.6
353.21884	0.6
367.73203	0.3
397.24176	0.5
620.20587	0.4
855.50781	1.1
872.53589	0.6
902.09332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.0
66.04704	1.0
67.05505	2.6
69.07064	4.0
69.22800	2.0
69.23202	2.0
71.04978	3.2
71.08629	51.6
73.02913	10.8
73.06557	5.9
78.99487	2.3
79.05479	4.3
81.07050	2.5
81.49566	0.6
83.04978	1.0
83.08612	1.3
85.10175	29.1
87.04462	40.2
87.89132	0.6
89.06026	40.4
90.04688	1.0
91.05476	20.2
93.07034	9.1
95.04959	4.6
95.08601	2.7
97.10196	0.7
103.05445	2.9
103.07577	7.9
104.06277	1.4
105.04515	1.5
105.07019	18.4
106.07381	0.9
107.04960	3.7
107.07017	1.2
107.08579	5.8
109.06499	1.2
109.10135	1.7
111.64108	0.7
113.00001	10.1
113.05982	1.9
115.05396	1.0
115.07567	2.1
117.07011	3.1
117.09145	3.7
118.07803	1.5
119.04947	4.2
119.08547	7.5
121.06501	20.4
121.10142	2.0
121.61073	0.7
122.06879	1.0
123.08060	1.3
125.09591	0.8
127.01557	89.7
127.14816	1.8
129.07001	1.1
130.12210	0.7
131.07027	12.8
131.08498	4.0
133.06471	1.2
133.08598	26.3
133.10146	2.0
135.08035	5.7
135.11656	2.4
136.05205	1.4
139.01538	32.9
145.10098	3.1
147.08044	13.4
147.10097	5.3
147.11731	0.8
149.09608	6.7
149.13264	1.9
150.06720	1.1
153.03105	100.0
153.12791	0.7
154.03587	0.7
156.31430	0.7
159.10197	2.6
159.11604	1.2
161.11755	1.0
161.13150	0.9
163.11212	3.3
165.09091	6.1
167.10609	1.5
175.09650	8.1
175.11194	2.2
177.11243	7.5
177.12704	1.2
183.04147	11.1
191.10667	3.5
193.12215	2.4
193.15994	0.7
197.05724	45.8
198.06122	0.8
209.11734	3.0
211.13313	3.2
215.06795	1.0
217.12303	1.0
219.12318	2.2
221.13742	1.4
227.06812	5.6
235.13295	3.0
241.08325	13.4
245.19029	1.2
247.17957	1.1
247.20557	21.7
255.15878	4.6
259.09399	2.4
261.22144	2.2
271.09381	5.4
273.22070	6.5
285.10934	6.9
289.21713	1.2
289.25150	2.1
291.23166	32.0
299.18536	1.5
303.12033	2.4
315.12015	4.9
317.24759	3.2
329.13525	2.2
333.24246	1.0
335.25772	6.5
343.20993	1.0
347.14624	1.6
359.14609	2.6
373.15915	1.2
391.17255	1.8
435.19962	1.7
447.19879	1.0
479.22684	1.9
505.46344	0.8
515.37042	2.2
637.05884	0.7
857.50427	6.1
873.96344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.8
67.05489	0.3
69.03425	1.2
70.06609	0.1
70.49038	0.2
81.03411	2.1
85.02902	1.3
87.00817	0.4
91.05493	0.2
93.03419	0.5
95.04956	0.3
97.02896	1.0
99.04460	0.4
105.01904	0.1
105.04509	0.2
108.02097	0.7
108.34772	0.1
109.02869	1.0
111.04419	0.8
118.04178	1.1
119.04936	0.3
121.02885	0.3
121.03975	0.2
125.05968	0.5
127.03898	1.1
131.04886	0.2
136.01556	0.7
141.05453	0.6
145.05006	0.3
151.03908	20.3
151.05011	2.2
152.01064	0.5
152.04242	0.5
153.01828	0.5
154.02594	0.7
159.02888	0.3
168.02911	0.2
169.04970	1.2
170.02113	0.3
181.01331	0.5
182.02069	0.6
197.04437	2.2
198.01610	0.5
207.02893	0.1
226.06284	0.3
231.05136	0.1
236.04794	0.2
237.05493	0.2
242.05606	0.1
249.77144	0.1
253.04968	1.2
254.05736	3.7
255.06479	0.3
257.04529	0.2
264.04382	0.1
269.04413	0.8
270.05164	0.6
271.05984	8.8
272.06357	0.3
272.09122	0.2
281.04468	1.0
282.05200	5.1
283.05945	2.2
284.06760	0.3
285.03946	0.4
286.04681	0.6
293.04333	0.2
295.08145	1.4
299.02661	0.1
299.05484	8.4
300.06262	13.9
301.06720	0.6
309.03775	0.2
313.09216	0.4
315.08597	100.0
316.08960	3.9
325.07071	0.8
339.08688	0.2
357.09814	0.4
383.20956	0.1
472.48221	0.1
477.13947	4.2
478.14078	0.2
519.15228	0.2
545.12830	1.2
563.13928	16.3
564.14172	1.0
895.09192	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	876.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.2
68.05033	1.0
68.45407	0.5
69.03423	1.0
69.07062	1.1
70.06573	1.5
76.69556	0.5
77.83273	0.5
79.05486	2.2
80.04544	1.2
80.05016	25.9
81.07053	2.2
82.06586	2.8
83.06094	1.5
84.04500	16.6
85.02900	13.7
86.00645	1.5
86.06064	26.7
88.02213	1.3
88.03989	10.1
91.05490	3.2
91.09959	0.5
93.07038	2.2
94.06568	2.2
95.01334	0.8
95.04968	0.6
95.08602	2.6
96.04501	1.0
97.01093	0.8
99.02692	0.6
102.05537	7.0
103.34546	0.5
104.04988	0.7
105.07046	3.5
106.02919	1.0
106.06543	4.3
107.08611	2.2
108.04489	0.6
108.08089	0.8
109.07654	2.0
109.10173	1.0
110.06063	2.9
112.03964	0.7
113.02402	0.7
114.05609	0.7
115.05496	0.6
116.03428	1.1
117.03430	0.9
117.07004	3.6
118.06518	1.6
119.04938	1.0
119.08608	5.5
120.08095	7.3
121.10133	1.9
122.02714	1.0
124.03947	20.5
125.07108	3.4
126.05515	1.3
128.06198	1.0
129.06956	1.9
130.04996	100.0
131.05286	0.6
131.08563	5.1
132.01128	2.6
132.08080	0.6
133.10136	3.6
134.05995	1.0
136.07541	1.3
137.05946	0.6
141.06909	0.8
142.07797	1.0
143.08571	4.3
144.09334	0.9
145.02855	2.2
145.10120	22.7
147.06856	0.7
147.09169	0.6
147.11690	2.0
148.07556	6.5
149.07101	0.7
150.05478	1.3
153.06561	1.5
154.03786	0.5
154.04965	1.8
155.08353	2.2
156.09286	1.1
157.10124	7.2
158.06015	1.7
158.10887	1.7
159.11674	8.1
160.07550	0.7
161.13272	1.5
163.05823	0.8
163.08685	0.6
163.14830	0.5
164.07042	2.3
165.10225	2.3
167.08614	0.8
169.10126	1.5
170.10953	3.6
171.07654	7.7
171.11662	1.6
172.12456	3.5
173.13242	1.7
175.14795	1.2
176.07050	9.0
177.05464	4.6
178.05882	0.7
180.06517	1.2
181.10175	0.7
182.10957	0.7
183.11644	1.2
185.13249	12.5
187.14812	95.6
188.15152	2.5
191.08189	3.5
192.06549	6.0
193.09781	1.4
194.08078	2.8
196.12477	1.2
197.13239	1.8
199.07205	1.1
199.14772	2.0
200.05519	1.5
201.16570	0.6
203.08896	0.6
203.14299	0.9
206.08128	1.6
207.06474	1.1
209.09203	65.6
210.09514	1.5
211.10767	1.0
211.14824	3.3
217.08195	15.9
219.11969	2.0
222.07587	11.6
223.10777	2.5
231.04340	3.3
231.11821	0.7
239.10292	6.6
249.05286	1.1
251.06931	1.9
278.19046	1.2
306.14996	3.2
308.16763	7.5
319.21442	0.6
339.10434	0.8
363.24161	0.6
390.20441	1.6
392.95322	0.6
397.24310	0.7
407.23328	12.3
408.23703	0.7
425.24338	1.5
429.18347	0.7
431.19992	4.3
435.19354	0.7
437.20828	1.6
443.19437	0.7
484.26666	0.7
489.20282	1.0
511.22272	0.6
528.25128	7.8
546.26288	4.7
550.35400	0.6
625.31305	1.1
651.27789	2.2
657.29047	2.2
669.29602	7.7
675.30261	1.3
687.29883	1.9
729.31543	5.4
745.92151	0.7
747.32123	1.3
780.31787	2.1
798.33563	2.7
816.34192	1.1
840.34900	4.7
858.35492	4.1
876.38239	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	878.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99804	3.0
69.18549	9.9
88.36256	1.6
91.05476	5.1
98.22706	3.5
99.58018	1.7
103.05449	21.4
103.05991	1.6
105.53968	1.6
115.05441	16.4
129.06998	2.2
131.04918	65.9
137.17526	1.5
138.01892	3.3
140.03497	1.6
141.07101	1.8
142.06552	6.2
148.04001	1.7
155.04947	1.8
156.08086	2.3
166.01393	6.8
167.02214	6.3
168.02925	3.2
170.06044	6.8
179.03371	3.2
182.06042	2.2
184.02423	2.3
184.07576	3.4
185.03223	4.5
191.02151	1.7
191.04541	1.9
192.02931	8.7
199.03937	2.5
204.02821	2.3
208.02513	3.0
211.48647	1.6
212.07047	9.9
218.00839	2.7
220.02332	2.1
224.07155	5.5
225.05409	3.0
228.06711	1.7
232.02397	1.6
232.06064	3.2
236.07201	2.1
238.05115	5.4
241.04922	22.5
241.06924	2.1
242.08084	2.5
244.02597	1.7
252.06577	4.5
254.08180	2.7
255.06604	5.5
256.06891	1.9
259.06091	4.0
266.08237	2.6
270.07843	2.2
271.08508	2.9
272.01883	2.6
278.08176	2.5
280.06049	39.3
280.08997	2.2
282.07523	2.0
294.07611	1.8
296.09256	3.0
298.07169	3.0
306.07840	1.8
313.04712	1.6
322.07196	6.7
336.12418	2.3
345.11307	8.5
349.47223	1.6
362.10226	3.2
376.08234	3.2
384.12274	49.3
384.16956	2.5
385.12711	3.0
395.09879	2.8
402.05478	1.8
404.07837	3.4
426.13623	6.2
432.10977	2.0
434.11356	7.0
490.13174	2.1
507.13431	2.5
508.13925	4.4
524.13519	6.1
589.16339	2.2
612.15503	1.7
761.20538	3.6
777.20770	37.1
778.21472	72.7
779.22125	17.0
797.21478	3.2
815.23193	2.1
825.20038	2.4
842.24023	9.6
843.22406	3.0
860.24072	9.2
878.25378	100.0
879.26459	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	878.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11176	1.0
64.34270	1.0
67.01862	3.6
68.05010	2.3
68.99809	2.1
69.96001	3.3
70.02987	1.2
87.97024	1.1
91.05515	1.5
98.22778	1.4
103.05460	11.9
105.07029	1.4
111.05550	2.2
115.05470	1.8
122.02359	3.0
131.04915	41.9
138.01892	2.2
140.03421	9.4
150.01860	4.4
152.03487	1.2
154.01329	2.2
162.01842	2.1
164.03423	4.5
166.01353	5.3
167.02109	14.0
168.02924	25.4
176.03450	1.3
178.01358	3.8
180.02885	1.4
185.03168	9.6
188.03551	1.3
190.01340	35.8
191.02043	1.6
192.02931	9.1
194.02898	1.1
196.02396	5.1
203.99301	2.1
204.02902	14.0
206.00833	2.3
206.04495	6.3
208.02393	100.0
209.02832	1.3
210.03996	1.5
220.02417	4.2
222.03926	6.4
225.05466	2.2
232.02379	11.5
241.04997	1.7
242.08078	1.7
244.02219	1.0
246.00308	1.5
249.04990	8.5
249.99677	1.8
250.03525	3.2
252.06593	1.3
258.04010	1.4
260.01898	1.6
264.01398	3.1
268.00873	4.6
270.07657	3.5
270.40234	1.2
271.08353	18.4
272.09180	23.5
280.06033	2.3
282.07614	3.2
288.01443	8.2
294.07581	34.5
295.08075	1.4
296.09198	3.8
297.99792	2.3
298.92249	1.2
306.02448	13.1
308.09164	3.7
310.10742	3.4
316.00848	5.1
322.07150	1.7
330.74063	1.3
334.01822	2.9
336.08630	42.5
337.08966	1.5
350.06711	2.1
353.11295	96.4
354.02249	1.5
354.06152	3.6
354.11511	3.9
362.10168	4.5
374.06644	1.4
384.12320	2.8
392.07562	8.4
402.06052	3.0
410.08731	10.7
420.06985	16.2
458.08640	4.0
463.84662	1.3
476.09647	1.9
478.12790	1.5
496.13950	4.4
503.10660	4.0
506.12332	2.1
521.12018	1.8
524.13397	71.7
525.13550	3.3
544.13843	2.3
562.14838	7.4
589.15491	2.2
590.14746	2.3
607.16711	3.9
777.20160	1.9
778.21021	2.8
779.21881	1.5
860.23425	1.7
878.26715	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	878.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01869	3.0
68.05018	2.1
68.99787	2.7
69.18744	2.0
69.19144	6.8
72.99095	0.9
75.31874	1.1
87.19505	1.1
91.05488	1.2
94.02911	1.5
103.05475	10.7
105.07036	1.8
111.03166	1.0
112.03941	1.3
122.02394	3.5
124.03980	1.1
131.04919	42.5
132.05225	1.1
138.01833	2.5
140.03442	8.9
148.03995	1.2
150.01880	4.7
154.01360	1.5
155.05032	1.1
162.01883	2.2
164.03407	4.3
166.01318	5.5
167.02095	12.2
167.03349	1.4
168.02916	22.7
176.03403	1.9
178.01311	6.4
180.02965	1.7
184.02443	1.6
185.03151	9.4
188.03342	2.4
190.01346	32.3
191.02118	1.2
192.02884	12.8
196.02408	5.8
197.23570	1.1
203.99232	1.4
204.02907	14.3
206.00824	4.2
206.04495	4.3
208.02394	100.0
212.07051	2.0
218.00880	1.9
220.02303	5.5
222.00333	2.1
222.04005	6.8
225.05386	1.4
232.02354	10.5
241.04965	1.6
242.08026	2.0
246.00385	2.2
249.05087	7.1
250.03525	3.3
258.03931	2.6
260.01910	1.4
264.01373	4.3
268.00684	5.1
270.07626	3.8
271.08350	18.8
272.09125	20.2
280.06058	3.3
282.07462	2.8
288.01370	9.0
292.00821	2.1
294.07587	30.6
295.08060	1.6
296.09149	4.0
297.99728	3.1
306.02432	19.3
308.09103	2.6
310.10687	4.1
316.00769	6.9
334.01910	1.8
336.08609	38.1
337.09100	1.6
353.11298	86.3
354.06171	3.1
354.11414	2.2
362.10205	2.9
378.06259	1.3
392.07571	8.7
402.06107	2.3
410.08743	9.1
420.07162	13.7
444.30719	1.3
458.08505	4.2
476.09564	1.4
496.13739	5.3
503.10657	4.7
506.12280	3.1
521.11670	1.5
524.13397	73.4
525.13818	3.3
562.15149	5.9
589.15979	2.4
590.14886	1.4
607.16791	4.5
778.20569	1.3
779.22321	1.7
878.25214	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	878.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05214	0.3
73.02872	0.4
73.06557	1.6
77.03905	0.4
79.05490	5.2
81.77599	0.3
87.04444	2.1
89.06023	5.8
91.05468	2.1
93.07043	0.4
95.04962	2.8
98.23517	0.7
103.05462	5.0
103.07571	37.0
104.07935	0.4
105.07018	100.0
106.07361	1.5
117.06980	0.3
117.09113	1.5
118.93324	0.3
119.04969	0.3
119.08578	0.4
121.06496	3.7
129.07002	0.7
131.07031	0.7
131.08560	6.1
133.08592	4.8
133.10106	0.7
145.06430	0.4
147.08165	2.8
147.10141	17.1
149.09595	1.3
165.09178	0.6
173.09590	0.4
175.09630	0.9
177.11192	1.9
191.12759	1.2
196.98436	0.3
201.09026	0.3
207.11841	0.4
209.11606	0.5
209.13406	0.7
221.14003	0.3
223.11136	1.1
225.12711	7.4
225.14777	0.5
235.15231	0.5
249.12767	0.6
251.14290	10.8
253.16055	2.1
267.13913	0.5
269.15256	2.5
276.37885	0.4
295.16821	0.6
311.16403	0.7
313.18008	1.5
327.17334	1.7
327.66470	0.4
329.18973	9.6
355.20520	0.5
371.20081	0.5
373.21597	4.6
477.27875	3.2
498.97968	0.4
558.96771	0.4
653.38971	0.7
878.53265	5.5
879.52637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.2
69.40982	0.7
69.41263	0.2
71.04985	0.2
73.02917	0.8
73.06549	1.4
77.03924	0.6
79.05487	5.8
79.05949	0.3
81.07032	0.1
87.04462	2.7
89.06028	5.2
91.05476	2.9
93.07040	0.5
95.04967	2.8
98.22741	0.3
103.05467	5.2
103.07575	29.5
104.07915	0.2
105.04643	1.1
105.07023	100.0
106.07363	1.8
107.04939	0.2
115.05457	0.2
116.06221	0.4
117.06998	0.3
117.09135	1.3
119.04935	0.2
119.08572	0.6
121.06503	3.4
129.07004	1.1
131.07109	0.8
131.08560	4.5
133.08601	4.0
133.09639	0.2
133.10150	0.4
135.08078	0.2
145.06441	0.3
147.08148	2.6
147.10146	12.5
148.08340	0.2
148.10518	0.1
149.09589	0.8
158.04781	0.2
161.11763	0.4
165.06953	0.2
165.09079	0.7
166.07811	0.3
169.10039	0.2
173.09590	0.5
175.09639	0.6
175.11015	0.2
177.11226	1.1
178.07796	0.2
179.08458	0.3
181.10172	0.4
191.10936	0.2
191.12772	1.1
192.09274	0.2
193.10165	0.2
209.11642	0.3
209.13464	0.4
221.09644	0.3
221.13736	0.2
223.11177	0.8
225.12724	6.0
235.15198	0.5
249.12714	0.3
251.14296	10.0
252.14651	0.4
253.15982	2.0
265.16226	0.2
267.13763	0.3
267.17657	0.2
269.15363	1.6
271.15475	0.2
277.15851	0.2
283.17645	0.2
283.78055	0.1
295.16956	0.4
311.16483	0.3
313.18039	0.7
315.17987	0.2
317.89761	0.1
327.17337	1.5
329.18985	6.4
330.19238	0.3
341.21616	0.2
353.18912	0.4
355.20450	0.2
357.20282	0.3
368.82468	0.1
371.19919	0.6
373.21582	2.7
417.24191	0.3
461.27454	0.2
477.22482	0.2
477.28012	2.3
549.32159	0.3
551.30609	0.2
653.38092	0.5
757.44043	0.3
878.53827	4.0
879.53607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.8
65.89928	0.2
67.05497	1.6
69.03430	1.0
69.06663	1.1
69.07072	0.5
77.03940	0.4
78.96430	0.3
80.02646	0.3
81.03416	0.7
85.02890	0.3
90.76056	0.2
93.03433	0.4
95.04972	2.2
97.02898	0.3
105.03390	1.0
105.04516	0.5
108.02100	3.0
109.02893	0.9
111.04439	1.1
121.02867	2.7
121.03735	0.3
127.03897	0.7
136.01530	0.4
139.03941	0.3
141.05492	2.3
145.04973	0.2
151.03906	100.0
151.04994	8.9
152.04248	1.4
169.04977	0.7
177.05453	0.4
187.94466	0.2
189.01811	0.5
191.03401	0.3
205.04831	0.3
238.06952	0.2
265.91425	0.2
270.05197	3.1
278.05725	0.9
279.06436	1.9
285.07565	11.7
286.07834	0.5
291.06506	4.1
292.07297	1.4
293.08035	1.0
295.08301	1.0
297.07495	0.6
303.06555	1.5
305.07986	1.2
307.06000	0.3
309.07553	1.4
313.09164	7.9
314.09637	0.3
317.08133	0.8
321.07559	11.3
322.07822	0.2
331.09683	0.6
333.07675	0.7
335.09180	0.4
339.08792	0.6
345.07544	0.8
351.08484	1.0
359.09290	0.4
363.08615	1.7
369.07516	0.3
375.08588	0.8
387.08817	1.1
405.09698	1.0
423.10901	1.0
429.09900	0.2
441.11755	0.8
447.10895	0.4
471.10739	5.2
472.10754	0.3
489.11728	1.9
507.12787	0.2
513.11969	0.8
543.12946	0.4
555.12677	0.6
567.14539	0.3
573.13757	0.8
591.14935	14.5
592.14984	0.8
609.15906	2.5
610.16772	0.3
633.15784	0.6
639.14844	0.8
675.17035	0.3
693.18188	0.5
711.19287	0.5
741.17798	0.4
759.19458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01590	0.2
63.02370	0.7
65.03928	0.5
69.03423	0.5
75.04484	0.4
76.37691	0.2
77.03933	0.2
78.04704	0.7
79.05469	0.3
81.03412	1.9
85.02886	0.8
86.60258	0.2
89.03912	6.8
91.05479	2.8
93.03397	1.4
93.07030	0.6
95.04966	1.1
97.02876	0.2
103.05455	1.4
105.04530	0.2
106.04175	2.9
107.04934	0.7
109.02866	0.6
113.75657	0.2
113.82945	0.2
115.05454	0.2
115.69580	0.2
117.03374	18.8
118.04185	1.5
119.04945	1.0
120.05724	0.2
121.02872	0.5
121.06501	3.3
121.64924	0.2
123.04441	0.4
123.08073	0.3
124.05203	0.3
125.05975	0.7
127.03819	0.2
131.04918	1.5
132.05684	0.4
133.06477	0.2
134.03625	2.0
135.04413	1.5
136.01526	0.6
137.05956	0.4
139.07579	0.3
145.02838	44.6
146.03214	0.8
146.85826	0.2
147.04436	0.8
148.05159	0.5
149.05971	11.9
151.03918	0.2
151.07547	0.6
152.01015	0.7
153.01797	0.9
153.05484	0.3
153.09094	1.7
154.02600	0.8
154.06273	0.3
155.07033	0.4
159.04437	0.2
160.05200	0.4
161.06009	0.4
162.03090	0.5
163.03944	0.9
163.07541	0.6
165.01880	0.2
165.05437	0.5
166.06131	0.2
166.99742	0.2
167.07036	4.6
169.01314	0.2
170.02106	0.2
173.05974	0.8
175.03877	1.2
176.04614	0.2
177.05458	57.3
178.05806	1.1
179.07007	2.5
180.07826	1.4
181.01334	0.5
181.08592	3.1
182.02103	0.7
182.09386	1.0
186.03111	0.4
186.05489	0.9
189.05408	0.4
191.07019	3.0
192.07831	2.4
195.06511	0.3
197.04419	1.8
198.01550	0.6
198.04829	0.2
198.06561	0.2
201.05458	6.7
202.05795	0.2
207.06390	0.2
209.08075	32.1
210.08823	2.3
213.05434	0.4
219.06413	0.2
224.08186	0.2
225.05505	0.3
226.06187	0.3
231.06532	1.4
237.05592	0.2
249.07542	0.4
253.04968	1.4
254.03250	0.3
254.05737	4.3
257.04523	0.3
263.07120	0.2
269.04504	1.1
270.05096	0.6
271.05988	11.0
272.06351	0.4
281.04553	0.9
282.05191	5.2
282.08295	0.3
283.05960	2.2
285.03915	0.5
286.04593	0.8
299.05490	11.3
300.06259	14.6
301.06506	0.4
315.08600	100.0
316.08926	3.8
321.09711	1.5
325.10938	0.2
335.09140	1.5
339.10843	0.5
353.10260	0.3
355.11755	5.1
356.11945	0.2
367.11725	3.0
385.12585	0.6
456.53906	0.2
565.18811	0.6
637.48743	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	879.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02051	0.3
63.02386	0.3
65.03919	0.9
67.17862	0.3
69.03406	0.6
69.24268	0.3
80.16246	0.3
81.03408	2.2
85.02890	0.7
89.03889	1.3
91.05476	14.4
97.02889	0.3
103.05431	1.2
105.03384	0.5
106.04209	0.7
107.04953	0.3
109.02842	0.7
115.05502	0.4
117.03365	1.6
118.04140	2.1
119.04934	18.8
119.14251	0.2
121.02838	0.6
121.06467	0.9
129.03349	0.3
131.04915	1.0
132.02040	0.6
134.03593	1.3
135.04405	0.8
136.01526	0.9
137.05948	0.4
145.02802	1.9
147.00699	0.3
147.04396	15.1
149.02293	0.5
149.05949	2.0
151.07530	0.4
152.01044	0.8
153.01811	0.9
154.02557	0.9
157.03926	1.8
160.01556	0.3
161.05937	0.7
162.03131	2.2
162.06715	1.5
163.03911	2.1
163.07492	0.7
164.04663	0.7
165.01801	0.4
175.03889	22.9
176.04282	0.7
177.05457	5.3
179.07025	3.0
181.01230	0.4
182.02115	0.6
190.02623	1.8
191.03333	0.9
192.04195	0.3
197.04443	1.8
198.01547	0.7
205.04944	41.0
206.05342	0.8
207.06505	34.6
208.06894	0.8
222.16466	0.3
223.06018	1.6
253.04875	1.4
254.05699	3.9
254.08090	0.4
256.96436	0.3
257.04285	0.4
261.07446	0.3
269.04364	0.5
270.05246	0.7
271.05978	11.0
271.08899	0.6
272.06326	0.5
281.04306	1.0
282.05176	4.9
283.05969	2.3
285.04053	0.5
286.04797	0.7
299.05469	10.9
300.06250	13.6
301.06653	0.6
315.08591	100.0
316.08957	3.9
321.07501	0.4
335.09048	0.9
335.15289	0.4
349.08371	0.4
351.10809	2.3
353.10165	1.1
355.11655	0.9
367.11139	1.1
369.11716	1.8
385.12759	1.7
859.94427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02051	0.3
63.02386	0.3
65.03919	0.9
67.17862	0.3
69.03406	0.6
69.24268	0.3
80.16246	0.3
81.03408	2.2
85.02890	0.7
89.03889	1.3
91.05476	14.4
97.02889	0.3
103.05431	1.2
105.03384	0.5
106.04209	0.7
107.04953	0.3
109.02842	0.7
115.05502	0.4
117.03365	1.6
118.04140	2.1
119.04934	18.8
119.14251	0.2
121.02838	0.6
121.06467	0.9
129.03349	0.3
131.04915	1.0
132.02040	0.6
134.03593	1.3
135.04405	0.8
136.01526	0.9
137.05948	0.4
145.02802	1.9
147.00699	0.3
147.04396	15.1
149.02293	0.5
149.05949	2.0
151.07530	0.4
152.01044	0.8
153.01811	0.9
154.02557	0.9
157.03926	1.8
160.01556	0.3
161.05937	0.7
162.03131	2.2
162.06715	1.5
163.03911	2.1
163.07492	0.7
164.04663	0.7
165.01801	0.4
175.03889	22.9
176.04282	0.7
177.05457	5.3
179.07025	3.0
181.01230	0.4
182.02115	0.6
190.02623	1.8
191.03333	0.9
192.04195	0.3
197.04443	1.8
198.01547	0.7
205.04944	41.0
206.05342	0.8
207.06505	34.6
208.06894	0.8
222.16466	0.3
223.06018	1.6
253.04875	1.4
254.05699	3.9
254.08090	0.4
256.96436	0.3
257.04285	0.4
261.07446	0.3
269.04364	0.5
270.05246	0.7
271.05978	11.0
271.08899	0.6
272.06326	0.5
281.04306	1.0
282.05176	4.9
283.05969	2.3
285.04053	0.5
286.04797	0.7
299.05469	10.9
300.06250	13.6
301.06653	0.6
315.08591	100.0
316.08957	3.9
321.07501	0.4
335.09048	0.9
335.15289	0.4
349.08371	0.4
351.10809	2.3
353.10165	1.1
355.11655	0.9
367.11139	1.1
369.11716	1.8
385.12759	1.7
859.94427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.9
67.05496	4.7
69.03429	2.2
69.07069	2.9
73.02914	2.3
74.48278	0.5
75.23351	0.5
79.05491	3.5
80.74608	0.7
81.03423	1.7
81.07062	5.2
81.68448	0.5
82.62006	0.7
83.04974	0.9
83.08605	0.9
85.02881	3.2
89.06004	0.5
91.03970	2.3
91.05480	3.0
93.07034	3.3
95.04984	1.7
95.08598	2.5
97.02879	2.8
97.06602	0.6
97.10162	1.2
98.22717	1.3
101.02387	1.7
105.07053	2.2
107.08571	2.4
109.02937	0.8
109.06463	0.6
109.10180	1.7
119.08585	1.5
121.02856	0.9
121.10167	0.9
124.03963	0.9
127.03968	0.9
131.08601	1.4
133.10133	0.6
135.11664	0.9
145.64656	0.6
163.52214	0.5
186.42326	0.5
210.35928	0.5
243.08359	2.8
302.30637	1.2
303.31021	1.3
333.20392	1.6
346.85364	0.6
351.21576	1.7
389.22650	0.5
407.24408	1.2
413.17764	0.8
439.19373	0.6
453.20926	0.6
479.17224	0.8
551.28339	4.5
569.29199	5.5
585.28949	0.8
616.98059	0.6
879.50635	100.0
880.51160	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	882.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99802	4.3
69.93924	3.3
70.06581	23.6
71.38305	1.7
79.05493	2.4
82.30722	1.7
91.05473	3.6
92.06190	1.4
93.03402	2.8
93.07014	1.8
94.06637	1.7
95.04943	4.3
96.08096	1.9
98.23320	2.5
103.05466	11.5
105.03413	3.0
105.06979	2.0
109.02843	2.3
110.06048	6.7
115.05434	1.5
119.04922	2.1
121.02897	1.8
123.04369	1.7
131.04918	27.2
140.03372	3.0
147.01031	1.5
147.04445	2.0
150.05568	1.7
151.03909	6.1
155.47697	1.7
161.02385	1.6
162.03160	1.4
163.03915	3.4
168.02873	11.3
168.06538	1.7
169.01328	7.7
169.15256	1.4
175.03987	2.2
177.05540	2.8
179.03357	4.2
180.04343	2.2
180.06448	2.0
183.04480	1.5
185.00772	4.6
190.05031	2.1
191.03410	5.8
192.06509	6.1
193.04944	2.4
194.99297	6.3
199.02359	2.4
207.02840	22.9
207.06500	3.1
208.06047	5.0
210.07632	3.9
213.00282	31.8
217.04935	2.1
218.04462	5.2
219.02896	4.7
221.04446	9.6
226.04623	2.2
236.05495	11.0
237.03900	3.5
271.06094	5.0
272.09140	10.7
278.11844	2.0
279.87845	1.5
294.11197	2.9
296.12766	5.0
299.05493	14.7
300.05121	3.0
311.09079	6.0
312.12598	2.0
312.99872	2.7
314.13791	2.5
322.10605	5.3
339.01227	2.1
340.04901	2.5
340.11752	12.9
341.02460	3.1
342.06088	2.7
342.13376	8.9
351.01288	2.3
357.01984	2.1
368.03821	4.5
369.02295	4.9
417.05869	3.3
421.05353	2.4
472.10468	3.4
490.11237	2.9
576.16461	3.3
594.17480	16.6
612.18555	100.0
613.19293	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	884.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29038	0.2
69.33485	1.4
73.02908	1.2
73.06546	0.7
77.03917	0.7
78.99516	0.5
79.05484	5.5
81.26391	0.2
87.04471	1.9
89.06029	4.9
91.05469	3.3
93.07037	0.4
95.04961	2.9
98.17993	0.2
103.04865	0.1
103.05461	5.5
103.07573	1.2
105.04519	1.1
105.07023	100.0
106.07363	1.7
113.00008	3.1
114.03774	0.7
115.05447	0.3
115.07539	0.3
117.07024	0.6
117.09140	0.8
119.08606	0.5
121.06490	2.3
124.99986	0.3
127.01561	19.3
129.07007	1.1
131.07014	0.9
131.08562	6.1
133.06453	0.3
133.08607	3.6
133.10109	0.6
135.99236	0.3
136.05112	0.3
139.01543	8.4
139.29495	0.2
145.06467	0.4
147.08037	2.1
147.10138	0.6
149.09570	0.6
153.03104	21.2
161.11674	0.2
165.09082	0.6
166.07765	0.3
173.09572	0.5
175.09694	0.5
177.11304	1.3
180.07674	0.7
181.10176	0.6
183.04176	2.6
191.10716	0.3
193.12178	0.3
197.05727	11.1
215.06781	0.4
223.11171	0.7
225.12708	4.7
227.06819	1.4
227.12718	0.3
231.92018	0.3
235.14861	0.6
241.08307	2.7
249.12787	0.5
251.14299	12.1
252.14658	0.5
253.15944	2.7
259.09378	0.8
267.13690	0.5
269.15454	1.3
271.09332	1.6
285.11053	1.2
295.16901	0.5
303.11966	0.8
313.17978	0.7
315.11960	0.9
315.17862	0.4
327.17398	2.3
329.13275	0.4
329.14752	0.5
329.18954	10.0
330.19357	0.3
347.14627	0.7
353.18887	0.9
359.14386	0.5
371.20102	0.7
373.21585	3.7
385.54770	0.3
391.17233	0.7
394.73987	0.2
477.27750	3.0
659.32068	1.3
763.38220	1.9
867.43170	0.4
885.46924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75256	0.2
67.59310	0.1
69.24672	0.4
69.25096	0.5
71.04980	0.4
71.60355	0.2
73.02911	1.4
73.06542	0.8
77.03909	0.8
78.99493	0.7
79.05039	0.4
79.05486	6.0
87.04452	1.7
89.06023	5.9
91.05472	3.1
93.07034	0.3
95.04958	3.3
98.23479	0.2
98.98425	0.2
103.05460	5.1
103.07590	1.3
105.07018	100.0
106.07348	1.7
113.00008	3.1
113.05997	0.2
114.03792	0.4
115.05415	0.3
115.07574	0.3
116.06213	0.3
117.07002	0.7
117.09097	0.8
119.04886	0.2
119.08569	0.7
121.06503	2.2
127.01553	19.5
129.06981	1.3
131.07007	0.5
131.08557	6.8
132.08887	0.3
133.08589	4.0
133.09656	0.2
133.10141	0.6
135.08023	0.2
136.05089	0.2
139.01540	8.3
145.06470	0.5
147.08038	2.1
147.10118	1.0
149.09561	0.8
153.03098	22.0
155.08566	0.2
158.06320	0.2
159.10178	0.2
161.11711	0.2
162.57501	0.2
165.06985	0.2
165.09026	0.5
166.07770	0.2
173.09625	0.6
175.09665	0.4
175.11206	0.2
177.11217	1.1
179.08502	0.2
180.07649	0.4
181.10114	0.6
183.04134	3.1
191.10596	0.2
192.09349	0.3
193.12315	0.2
193.29793	0.2
197.05722	11.6
203.08569	0.2
209.11522	0.2
209.13286	0.3
211.91595	0.2
215.06648	0.2
215.65947	0.2
216.80162	0.2
221.09517	0.2
221.13580	0.2
223.11099	1.0
224.10277	0.3
225.12708	5.5
227.06760	1.5
227.12743	0.4
235.14752	0.3
239.14488	0.2
241.08353	3.4
249.12704	0.6
251.14279	12.3
252.14571	0.4
253.15945	2.9
255.15788	0.2
259.09329	0.6
267.13718	0.6
269.15308	1.4
271.09415	1.6
285.10941	1.5
295.16833	0.5
303.12015	1.1
311.16348	0.5
313.18048	0.9
315.11960	1.1
315.17657	0.2
316.75385	0.2
327.17413	2.5
329.13260	0.4
329.18964	10.2
330.19385	0.4
347.14569	0.7
353.18964	0.4
355.20255	0.3
357.20682	0.2
359.14478	0.4
371.19839	0.5
373.16937	0.3
373.21585	4.1
375.21661	0.2
391.17014	0.4
403.17130	0.3
415.22482	0.2
419.24286	0.3
431.22934	0.2
435.19888	0.4
460.06540	0.2
477.21677	0.2
477.27841	3.3
478.27942	0.2
523.39563	0.2
525.40448	0.2
659.31885	1.4
670.11493	0.2
763.38324	2.1
764.37213	0.2
797.73077	0.2
867.43457	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	884.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.4
68.40823	0.3
69.50096	1.1
70.06584	0.4
73.02914	1.5
73.06546	2.4
77.69104	0.3
81.07058	0.3
83.00864	0.3
87.04468	100.0
88.04770	0.5
89.06033	7.2
95.04952	0.3
95.08594	0.4
103.07581	24.7
117.09136	3.5
121.02847	0.8
122.26983	0.3
128.10953	0.3
131.07040	3.5
133.08597	4.3
135.29431	0.4
137.05864	0.4
139.77925	0.3
143.78363	0.3
147.04407	0.6
147.10156	11.3
151.03864	0.4
161.11746	0.9
175.09604	0.8
177.11212	1.7
191.12877	0.4
207.06506	0.5
219.12268	3.9
229.27086	0.4
263.14856	0.6
353.63687	0.4
490.16336	0.4
699.64673	0.5
884.54358	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	886.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.4
69.07046	0.7
70.06571	0.6
71.04976	1.4
73.02909	5.4
73.06548	7.8
84.04508	1.0
86.09699	10.2
87.03651	0.9
87.04460	32.0
89.06024	100.0
90.06346	0.7
103.07574	86.2
107.07074	3.2
113.05988	2.9
115.07587	1.6
117.09127	9.6
121.02853	1.3
130.08615	0.8
131.07050	7.3
133.08595	61.5
134.09003	0.7
135.10135	1.1
137.26077	0.6
147.10147	35.1
159.07639	0.6
159.10162	1.2
161.11732	2.2
164.35237	0.8
175.09677	4.7
177.11208	21.8
191.12764	2.2
219.12271	1.9
221.13792	3.9
244.09245	1.2
247.15190	0.8
265.16556	0.8
279.91763	0.8
283.17337	0.9
297.11398	0.7
300.15558	0.9
309.19028	1.3
656.32715	1.1
869.51636	1.6
886.26929	1.9
886.55969	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	890.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92547	0.1
67.05480	0.2
69.03440	0.3
71.04994	0.8
73.02910	3.0
73.06554	2.1
78.99496	0.9
81.03407	0.2
82.08974	0.1
85.02910	0.2
87.04460	100.0
88.04797	0.7
89.06023	7.5
90.37917	0.1
91.05466	0.2
95.04945	0.2
97.12398	0.1
103.07575	1.9
105.07053	0.2
107.07062	0.2
111.02140	0.2
113.00003	2.3
113.06008	0.8
115.07566	0.9
117.09134	2.2
127.01554	24.2
131.07027	3.8
131.07994	0.1
133.08589	4.0
139.01537	8.1
141.96071	0.1
142.59286	0.1
147.04330	0.2
147.10176	0.9
150.28633	0.1
153.03101	25.8
159.10133	0.9
161.11748	0.5
161.90739	0.2
175.09653	1.0
176.47377	0.2
177.11195	1.3
183.04163	2.9
197.05727	11.0
203.12851	0.2
215.06906	0.2
219.12250	2.4
221.13794	0.2
227.06793	1.2
241.08340	2.8
250.61592	0.1
259.09418	0.2
263.14856	0.4
271.09378	1.1
285.10962	1.2
303.11987	0.3
311.57767	0.1
315.11899	0.9
329.13498	0.3
347.14352	0.4
359.08801	0.2
359.14575	0.5
373.16000	0.2
377.09470	0.2
391.17188	0.2
435.19708	0.2
523.24969	0.2
655.32410	0.2
873.44092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02906	0.7
73.06552	0.7
77.03899	0.4
79.05485	3.7
81.07018	0.4
87.04461	100.0
88.04815	0.7
89.06025	4.5
91.05472	5.8
93.07021	0.8
95.04970	2.3
95.99104	0.3
103.05457	2.9
105.04576	0.6
105.07021	47.4
106.07365	0.6
107.04939	1.3
117.07009	0.9
117.09108	0.9
119.04930	0.6
119.08572	2.2
121.06500	5.7
128.06210	0.9
129.06975	1.4
131.07037	3.7
131.08533	3.8
133.08586	2.7
133.10121	0.8
145.06467	0.5
147.08038	21.9
149.09608	4.6
150.08189	0.3
159.96178	0.4
163.07512	0.3
165.09053	0.3
175.09644	1.3
175.11055	0.3
177.11154	0.9
181.10092	1.0
219.12267	3.7
223.11188	1.2
225.12715	10.4
226.13078	0.5
239.14963	0.3
249.12669	1.6
251.14369	1.7
263.14877	0.5
269.15240	1.3
311.16382	0.5
313.17871	0.8
373.17639	0.3
373.21637	3.0
515.24554	0.3
838.16095	0.3
845.84875	0.3
890.52606	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	890.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.5
67.05506	0.5
69.03414	0.4
69.07053	0.4
69.46231	1.4
69.95840	0.2
72.77368	0.3
73.02926	0.8
73.06554	0.8
76.75066	0.3
77.03928	0.6
79.05492	3.5
81.07043	0.4
83.47675	0.3
87.04462	100.0
88.04799	0.4
89.06025	4.1
91.05476	5.8
92.05743	0.3
93.07062	1.4
95.04961	1.8
97.02845	0.3
99.70169	0.3
103.05457	3.8
105.04565	0.6
105.07023	45.9
106.07342	0.5
107.04961	1.3
107.08569	0.6
116.06161	0.4
117.07015	1.2
117.09161	0.5
119.04958	0.4
119.08566	2.8
121.06498	6.5
128.06239	0.6
129.06992	2.0
131.07034	3.4
131.08556	3.6
132.05754	0.8
133.08585	2.5
133.10147	0.6
140.21693	0.3
145.06468	0.8
147.08041	20.6
149.09599	3.9
165.06970	0.5
165.09023	0.3
173.09613	0.3
175.09639	0.9
177.11215	0.7
179.84590	0.3
181.10117	1.0
186.52504	0.3
191.10706	0.4
219.12245	3.1
222.10521	0.3
223.11148	0.8
225.12733	9.0
249.12686	1.4
251.14429	1.5
263.14835	0.3
267.13910	0.4
269.15289	1.0
271.15332	0.5
295.16931	0.4
313.17984	0.4
329.18893	0.5
334.65283	0.3
335.25751	0.5
372.28818	0.3
373.21646	2.7
890.52203	2.5
891.46899	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	891.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06571	0.3
71.95265	0.5
87.91700	0.2
103.05437	0.5
124.04626	0.2
131.04872	1.0
167.97253	0.3
170.22542	0.2
175.99847	0.3
185.98309	0.8
213.97798	0.7
224.01596	0.3
225.10474	0.3
230.98010	0.3
231.98997	0.4
241.97353	0.5
242.02559	1.2
244.03899	0.3
245.96867	0.3
248.22839	0.2
252.00787	0.4
256.00452	1.0
259.98477	0.4
260.03555	1.9
270.01981	0.7
270.05154	1.3
271.02747	0.3
271.05698	0.5
274.01465	1.7
278.04669	0.5
283.99875	0.9
285.07574	2.5
286.07895	0.3
287.02243	0.3
288.03122	1.6
293.04172	0.3
298.01440	0.4
302.00955	2.4
306.04053	0.6
307.99753	8.9
311.99414	4.7
315.01779	0.4
315.08612	0.4
316.02533	2.1
323.02121	5.7
324.02588	0.3
326.00909	8.3
327.01514	0.4
329.03510	0.6
330.00443	6.1
334.03485	0.7
339.98895	36.0
340.99133	0.8
341.03250	13.6
342.03729	0.6
344.02008	92.2
345.02548	3.4
349.02594	1.2
357.99939	54.2
359.04352	100.0
360.00360	0.3
360.04681	3.2
361.04984	0.4
362.03058	36.9
363.03433	1.2
364.04767	2.0
367.03662	5.3
368.00006	0.3
368.04123	0.4
376.01086	0.7
377.05423	27.4
378.05750	0.8
381.01529	1.2
382.05951	6.9
383.06256	0.4
385.04745	0.7
400.06995	0.4
401.04465	0.3
577.04211	0.6
587.09625	0.4
592.06818	0.7
607.09070	94.8
608.09546	4.9
610.08209	0.4
622.05444	0.5
625.10144	25.9
626.10376	1.2
648.11627	6.3
649.12347	0.5
651.01630	0.3
789.37524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13707	0.2
63.02336	0.3
68.99751	0.6
69.03417	1.9
71.04939	0.9
73.02853	0.2
79.05429	0.8
81.03412	1.6
85.02894	3.3
86.05020	0.2
87.04398	0.2
89.03901	3.5
91.05458	0.4
93.83709	0.2
95.04961	4.0
97.02887	1.8
103.05408	0.7
104.14924	0.2
105.03327	0.8
105.04459	0.4
107.04941	1.0
109.02884	1.2
111.04408	0.3
117.02577	0.2
117.03363	3.3
119.04911	0.5
120.04413	0.2
123.03676	0.2
123.04415	3.4
127.03886	1.0
127.12772	0.2
130.24632	0.2
131.04909	3.0
132.04411	0.3
134.05933	0.6
135.04399	7.0
138.01848	1.0
139.00244	0.3
140.03406	1.1
145.02844	4.2
145.04933	0.2
146.33209	0.2
147.04329	0.3
148.03900	0.2
150.05428	0.2
151.03889	20.9
152.06990	0.3
153.01720	0.3
153.05408	0.3
157.01283	0.2
158.05995	0.3
162.05522	1.1
163.03888	24.1
164.04218	0.4
166.01331	2.9
167.02132	1.4
167.06984	0.4
168.02907	15.2
173.05751	0.2
176.06961	0.5
178.01294	1.5
178.05051	0.2
180.06531	0.9
181.04944	1.0
184.02351	0.5
185.03137	0.5
186.05411	0.6
190.01309	0.4
190.04942	0.5
191.07010	0.4
192.07350	0.2
198.05504	0.3
202.04936	0.5
204.06485	0.4
205.04945	1.0
206.05331	0.3
207.06485	0.9
208.02515	0.2
208.06390	0.2
214.04922	0.5
216.02740	0.5
217.03627	0.6
218.04482	0.4
222.03822	0.2
225.05431	1.0
228.06389	0.2
230.04445	5.6
230.07980	0.3
231.06607	0.3
232.05890	0.3
242.04388	2.0
242.08099	0.7
244.02385	9.8
244.05948	1.4
245.03160	1.3
246.03853	0.3
248.05554	0.6
254.04486	1.6
256.02280	0.3
257.08029	0.2
258.03824	0.4
260.01855	0.5
263.09366	0.2
270.04053	0.9
270.07593	1.6
271.05869	0.6
271.08450	0.7
272.02136	0.3
272.05521	2.5
272.09097	4.2
273.02634	3.6
276.05008	0.5
282.03918	1.6
282.07376	0.5
288.05109	0.4
290.03247	0.4
290.06528	1.1
291.03687	0.4
300.04956	5.5
301.05817	0.3
307.08136	0.3
315.08627	2.2
316.09033	1.5
318.06042	15.1
319.06381	0.5
320.09235	0.3
322.10797	0.4
325.09177	2.0
334.10684	5.8
336.07159	0.5
346.06714	0.3
346.10510	1.3
348.08618	16.6
349.09128	1.0
374.10172	0.5
376.07126	0.3
376.11807	6.3
377.08771	3.4
377.12799	0.3
378.09344	0.3
386.10226	0.8
392.11301	0.3
394.12827	2.9
397.12375	0.2
404.11234	5.9
406.12625	0.2
422.12296	100.0
423.12659	4.0
430.09000	0.2
464.13464	0.4
473.61526	0.2
539.09790	0.3
540.10101	1.2
541.11292	0.2
584.17554	65.2
585.17896	3.0
594.02289	0.3
746.20679	13.6
747.21613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60448	0.3
66.85152	0.2
68.99768	0.4
69.03439	1.9
71.01351	0.5
71.04983	0.4
71.41165	0.3
75.31782	0.2
77.03896	0.3
79.05489	0.8
81.03410	1.7
83.04955	0.3
85.02893	1.9
89.03915	3.1
91.05460	0.4
95.04959	4.6
96.73569	0.2
97.02889	4.8
103.05463	0.9
105.04529	0.3
107.04967	1.4
109.02843	1.0
117.03381	3.7
123.04426	3.4
127.03877	0.5
131.04921	3.4
134.06004	0.6
135.04413	7.0
138.01852	1.1
140.03397	1.6
143.11754	0.2
145.02834	5.3
146.03287	0.3
148.03951	0.3
150.05521	0.7
151.03899	16.9
152.04582	0.3
153.01787	0.3
158.05971	0.5
158.31468	0.2
159.19102	0.2
162.05521	1.5
163.03896	41.9
164.04192	1.0
166.01337	1.8
167.02151	1.1
167.07066	0.8
168.02914	14.4
174.05516	0.3
175.03802	0.3
176.03400	0.4
178.01341	1.7
178.04918	0.3
180.06535	1.1
181.04964	1.0
184.02426	0.4
185.03242	0.7
185.50410	0.3
186.05573	0.5
188.03484	0.6
190.05045	0.6
198.05463	0.4
202.04962	0.5
204.06607	0.5
214.04997	0.6
216.02953	0.5
217.03731	0.6
218.04482	0.5
225.05432	0.7
226.05038	0.6
230.04462	5.3
232.06171	0.3
242.04366	1.6
242.08150	0.4
244.02396	9.8
244.06001	1.3
245.03090	1.6
246.03964	0.4
248.05562	0.4
254.04515	1.3
256.02390	0.4
258.04047	0.3
260.02115	0.6
262.03333	0.4
270.04092	0.9
270.07590	1.5
271.08380	0.8
272.02637	0.4
272.05597	2.3
272.09183	3.6
273.02679	2.7
276.04956	0.3
282.04007	1.6
282.07318	0.3
288.05255	0.3
290.02991	0.3
290.06638	0.7
291.03537	0.4
300.05023	4.3
306.07608	0.3
307.08118	0.6
315.08588	0.7
316.09195	0.3
318.06067	14.7
319.06619	0.3
322.10776	0.4
325.09186	9.7
334.10693	5.1
336.07150	0.8
346.10641	0.9
348.08624	13.5
349.09265	0.4
362.10297	0.4
364.12106	0.4
376.11832	4.7
377.08948	2.8
386.10297	0.7
394.12958	2.7
404.11270	3.1
418.96326	0.4
422.12320	100.0
423.12656	3.9
584.17883	1.7
746.20734	21.9
747.20502	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	892.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99763	0.7
69.03432	2.0
70.06548	0.4
71.04960	0.8
71.41180	0.5
71.61695	0.4
81.03394	1.9
85.02927	2.5
89.03918	3.5
95.04963	5.3
97.02900	2.2
101.02332	0.4
103.05452	0.6
107.04906	0.9
109.02831	0.7
113.29224	0.4
117.03397	3.3
117.82462	0.4
123.04416	4.2
131.04930	3.4
135.03465	0.6
135.04398	7.5
138.01787	1.2
140.03333	0.8
145.02856	4.4
147.04494	0.4
150.05486	0.7
151.03897	19.9
158.05838	0.4
162.05463	1.6
163.03894	24.5
166.01360	2.6
167.02095	1.1
168.02916	16.2
176.07101	0.4
178.01270	1.6
181.04900	0.5
184.02361	0.6
185.03230	0.6
186.05490	0.6
190.04903	0.5
202.04890	0.8
208.02406	0.4
217.03828	0.6
218.04541	0.4
225.05380	0.7
226.04942	0.6
230.04466	6.7
242.04553	1.9
242.08156	0.5
244.02400	11.6
244.06096	1.0
245.03059	1.3
248.05547	0.5
254.04507	1.4
258.03809	0.6
270.03949	0.8
270.07599	2.1
271.08374	0.9
272.05954	2.9
272.09015	4.0
273.02591	2.9
276.05157	0.7
282.03940	1.7
288.05164	0.5
290.03210	0.4
290.06412	0.7
291.03592	0.5
300.05002	5.6
315.08676	0.5
318.06070	14.1
325.09186	1.6
334.10675	6.9
336.07251	0.5
346.10727	1.3
348.08621	16.3
348.12167	0.8
353.85452	0.4
376.11792	7.5
377.08887	3.3
386.10245	1.1
394.12854	2.8
404.11346	5.8
418.42184	0.4
422.12317	100.0
423.12668	3.3
584.17578	79.2
585.17780	3.4
746.20721	13.3
747.20911	0.7
811.40558	0.4
841.71448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02367	0.9
65.03941	3.9
67.05500	1.0
69.03427	2.3
69.19934	2.7
73.02953	0.5
74.16680	0.5
77.03901	0.5
78.04702	0.5
79.05485	0.9
81.03415	1.4
83.01344	0.5
83.04990	0.9
85.02903	1.3
87.00816	1.3
88.35711	0.4
88.51955	0.4
89.03903	9.7
91.05473	9.9
93.03401	3.0
93.07043	1.0
95.01357	0.5
95.04958	2.0
97.02886	57.4
99.04441	0.4
102.04665	0.6
103.05450	3.8
105.03391	1.4
105.04542	0.6
105.07017	3.3
106.04178	0.8
107.04958	1.2
109.02887	1.7
109.06532	0.8
111.04429	2.3
115.05431	2.0
117.03367	30.6
117.07031	1.2
119.04933	12.3
121.02871	2.1
121.06499	1.7
122.03630	2.0
123.04416	1.7
123.08060	0.5
124.05212	1.1
125.02345	0.5
125.05965	0.7
127.03909	1.6
128.06227	1.8
129.05476	0.7
129.06990	4.5
130.04158	1.1
131.04935	3.3
133.02844	24.5
133.06516	2.4
134.03633	2.2
135.04414	2.6
137.05969	30.9
138.06300	0.5
139.03897	1.3
139.05435	0.8
141.06984	2.4
143.04892	1.2
144.05656	0.6
145.02837	80.1
145.06505	3.0
146.03320	1.6
147.04399	11.6
149.02310	4.4
149.05971	18.9
150.06761	2.9
151.03932	2.5
151.07515	3.8
155.04948	1.1
156.05673	0.6
157.03998	0.5
157.06480	6.0
158.03589	0.9
159.08049	0.6
160.05186	1.5
161.05971	9.9
162.03156	0.9
162.06755	6.1
163.03848	1.7
163.07527	3.2
165.05464	3.8
165.06850	0.6
167.03406	20.3
167.04904	1.8
168.05745	1.1
169.06497	3.7
171.04404	0.5
171.08066	0.9
172.05154	0.5
173.05991	5.5
174.06752	1.6
175.03886	11.0
175.07538	3.2
176.04424	0.5
177.05457	100.0
178.05780	2.3
179.07018	9.5
180.07791	0.9
181.06474	0.7
184.05231	1.5
185.05978	5.6
186.03133	1.4
186.05333	0.8
186.06812	0.6
187.07503	4.1
188.08337	1.3
189.05443	2.1
189.09090	4.8
191.07024	1.4
192.04216	0.5
193.05002	2.3
195.06491	1.0
196.05205	0.7
197.05969	2.1
198.06760	0.8
199.07529	5.6
200.04662	0.5
201.05452	23.8
201.09081	1.7
202.05919	0.7
203.06970	2.6
204.04134	3.0
205.06508	1.7
205.08379	0.5
207.06467	2.8
211.07590	2.0
212.04591	0.5
212.24438	0.4
213.05444	6.0
214.06143	0.5
215.07043	3.1
217.05055	0.5
217.08575	6.4
219.06483	5.7
219.08380	0.5
221.06032	0.8
221.08044	7.6
225.05487	1.0
225.09065	0.5
226.06168	0.5
227.07068	5.8
228.07689	1.1
229.08531	3.0
231.06555	4.6
233.05946	2.7
233.08075	1.8
235.07674	0.5
237.09253	0.8
239.07019	0.9
241.08607	0.9
243.06534	0.7
245.05589	0.8
245.08076	15.8
246.08768	2.0
249.05310	0.6
249.07492	0.7
250.06250	1.0
250.10144	0.5
251.06958	1.1
253.08485	0.7
257.08081	5.0
258.08884	2.6
261.05365	1.3
262.06342	1.1
265.08658	2.2
269.08084	1.1
272.10278	0.8
275.07162	0.4
275.09235	3.9
277.05203	0.5
277.08572	1.1
278.05588	0.7
279.06339	0.6
289.07080	1.5
291.08636	5.3
292.07275	1.5
293.07959	2.2
294.08694	0.4
297.07571	4.3
297.10696	0.8
305.08075	3.1
306.39536	0.5
307.09598	1.2
309.11371	0.6
315.08591	3.7
323.09021	1.1
325.10678	29.3
326.11011	0.9
337.10706	7.1
341.10571	1.0
350.35849	0.4
355.11737	15.8
356.11975	0.6
361.10776	0.6
363.12247	0.7
373.12854	7.9
379.11264	0.7
391.11459	0.6
393.13303	1.3
403.11826	0.8
415.11194	0.7
421.12744	5.3
433.12833	0.9
439.13834	5.0
440.14343	0.6
451.14059	2.0
457.14847	3.8
469.14862	2.0
487.15964	0.6
505.17203	2.6
573.15778	0.8
705.20392	4.1
735.20355	1.0
753.21918	0.6
892.38226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21837	0.5
69.03414	0.7
69.11894	2.4
69.12304	2.0
71.05000	3.1
73.02917	11.3
73.06548	4.8
78.99507	2.6
87.04466	31.1
89.06029	100.0
103.07568	7.1
104.19958	0.6
107.07067	2.3
109.00560	0.7
113.00008	7.8
113.06003	3.7
113.78826	0.6
115.07570	3.5
117.09126	3.7
123.64135	0.6
127.01563	66.6
131.07051	6.6
133.08601	57.7
135.10147	0.7
139.01550	26.7
139.02640	1.3
146.13080	0.7
147.04440	0.9
147.10112	3.7
153.03114	75.9
159.10190	2.3
161.11749	1.8
175.09683	4.5
177.11218	18.3
183.04156	8.0
197.05737	33.0
203.12790	0.8
219.12340	0.9
221.13852	2.0
223.15387	0.7
227.06743	3.9
241.08310	9.5
265.16327	0.9
271.09421	3.7
285.10971	4.2
303.12265	1.0
315.12061	2.6
329.13641	1.2
347.14487	1.0
359.14398	1.2
391.17133	0.9
403.17355	0.9
435.20013	1.1
447.19293	1.1
479.22577	0.8
627.39667	0.7
875.45288	2.0
876.95483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.3
71.04998	0.5
73.02908	1.2
73.06562	2.3
77.03927	0.9
77.74525	0.3
79.05492	6.7
79.38493	0.3
87.04468	12.6
89.06028	62.5
90.06326	0.4
91.05476	12.9
91.07582	0.3
93.07033	1.9
95.04968	4.0
103.05465	7.4
104.10690	0.3
105.04616	1.6
105.07027	100.0
106.07379	1.4
107.04929	2.1
107.07083	2.1
109.85743	0.3
113.06031	0.6
115.05423	0.6
116.06232	0.6
117.07006	2.0
117.09127	2.3
119.04957	1.3
119.08572	5.4
121.05613	0.4
121.06504	12.8
128.06195	1.6
129.06999	3.8
130.08632	1.2
131.07068	3.8
131.08559	10.5
132.05722	1.0
133.08600	45.1
133.10193	1.5
134.08893	0.4
135.08080	0.9
145.06485	1.0
147.08044	48.6
148.08380	0.6
149.09605	11.3
159.10129	0.5
161.11720	0.6
163.07504	0.5
163.11237	0.3
165.06963	0.4
165.09134	0.9
166.07777	0.6
173.09627	1.3
175.09659	3.4
175.11134	0.5
177.11214	15.6
178.07893	0.4
178.11591	0.5
179.08565	0.6
181.10124	2.0
184.07198	0.4
191.10687	1.0
192.09471	0.4
193.12186	0.7
207.11696	0.4
208.08771	0.7
209.11603	0.4
209.13339	0.5
219.12230	1.0
221.13858	2.3
223.11185	2.5
223.15028	0.4
225.12730	26.6
226.13081	0.7
227.12726	0.7
235.14922	0.5
237.12868	0.8
239.14827	0.5
243.76495	0.3
249.12738	5.5
251.14359	3.4
259.59338	0.3
265.16379	0.5
267.13831	1.0
269.15350	2.6
273.16943	0.3
277.15967	0.4
283.17487	0.9
295.16965	0.4
309.18973	0.5
311.16306	1.0
313.17923	1.3
315.17902	0.4
327.17267	1.1
329.18994	0.8
339.19650	0.4
341.19400	0.3
373.21597	7.5
445.25589	0.5
816.34021	0.3
875.51178	1.0
892.54065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11337	2.7
71.04987	0.5
73.02924	1.1
73.06210	0.3
73.06558	2.5
73.06888	0.4
77.03931	1.0
79.05486	6.7
87.04462	11.7
89.06024	64.5
91.05472	12.4
91.07572	0.8
93.07049	1.9
95.04972	3.9
98.22607	0.6
98.36185	0.3
103.05462	7.8
105.04514	1.4
105.07021	100.0
106.07364	0.5
107.04960	2.3
107.07057	1.3
107.08655	0.4
112.71508	0.3
113.05948	0.4
115.05405	0.7
117.06989	2.1
117.09114	2.6
119.04920	1.7
119.08562	6.4
121.06494	12.9
125.98568	0.3
128.06189	1.6
129.06995	4.1
130.08617	0.7
131.07066	4.2
131.08549	9.6
132.05682	1.4
133.08592	45.2
133.10181	1.6
135.08057	0.9
135.10095	0.4
145.06496	1.2
147.08035	46.5
148.08391	0.7
149.09593	9.7
161.11726	0.5
163.07475	0.5
163.11063	0.5
165.06920	0.5
165.09082	0.8
166.07806	0.5
167.08688	0.4
171.86118	0.4
173.09602	0.7
175.09636	2.6
177.11203	17.9
178.11571	0.5
178.98055	0.3
179.08563	0.5
181.10149	2.0
191.10655	0.6
193.12216	0.7
207.11580	0.7
210.43439	0.4
216.20486	0.4
219.12198	1.0
221.09732	0.6
221.13881	3.0
223.11183	2.5
225.12726	28.4
226.13048	0.7
237.12787	0.5
239.14799	0.5
249.12733	3.6
251.14278	4.4
253.14296	0.4
255.15800	0.7
265.16354	0.9
265.36334	0.3
267.13623	0.7
269.15353	2.7
283.17447	0.5
295.16803	0.5
299.18454	0.5
309.18909	0.6
311.16360	0.8
313.17822	1.6
327.16940	0.5
329.18805	1.2
353.21579	0.6
373.17050	0.6
373.21594	9.8
417.23901	0.5
875.51245	0.8
892.52234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.4
67.05497	1.1
68.99803	0.3
69.03435	1.0
69.29842	0.4
71.01353	0.2
71.05004	0.3
73.02940	0.1
77.03948	0.4
78.16589	0.1
80.02641	0.2
81.03413	4.8
81.03901	0.2
85.02901	1.7
87.00818	0.2
89.03898	0.1
90.95306	0.1
93.03394	1.3
94.08061	0.1
95.04957	1.2
97.02888	1.3
98.03710	0.2
98.22767	0.2
99.04453	0.6
103.04882	0.2
103.05431	0.7
105.01860	0.3
105.03382	1.1
105.04539	0.4
108.02081	2.1
109.02869	1.9
110.03679	0.3
111.04436	2.2
111.05168	0.2
117.03361	0.2
119.04955	0.2
121.03975	0.2
123.00804	0.5
123.04407	0.3
125.05991	1.6
126.25446	0.1
127.03887	1.1
129.03372	0.2
133.10159	0.2
136.01552	0.3
141.05478	1.9
141.06551	0.2
141.06944	0.1
145.02843	0.7
145.04852	0.2
147.04422	0.2
151.03900	92.5
151.04967	7.3
152.04247	1.6
163.03958	0.3
169.01306	1.7
169.04956	6.0
173.05931	0.3
175.03961	0.2
177.05470	0.7
181.05130	0.2
197.06097	0.2
201.05501	0.4
201.16399	0.2
205.04950	0.4
207.06540	0.2
209.08070	0.3
213.03941	0.1
215.07205	0.1
225.05424	0.5
231.05016	0.2
241.23297	0.1
246.30449	0.1
253.04950	0.2
269.22629	0.2
270.05057	0.4
271.05978	100.0
272.06311	2.8
295.08112	5.8
295.11490	0.2
313.09305	4.7
316.05807	0.2
320.07898	0.2
331.08041	1.2
335.73181	0.1
337.06955	0.2
379.08105	0.7
510.00012	0.1
565.13220	0.2
583.14410	8.5
584.14807	0.4
791.40192	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	895.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38770	0.3
63.71108	0.2
63.91660	0.3
64.95146	0.3
81.35899	0.3
81.43065	0.3
84.87535	0.3
102.01299	0.3
103.05003	0.3
118.21851	0.3
121.02820	0.5
126.99977	0.4
135.85309	0.4
167.01764	0.3
167.03140	0.5
185.04236	0.4
200.55521	0.3
201.05232	1.1
216.07558	8.0
217.08313	6.0
227.05272	1.1
271.04196	0.9
287.05453	0.7
299.05383	0.3
379.13580	4.0
379.17990	0.5
403.13385	0.5
421.14639	12.8
422.15033	0.5
453.11548	4.2
465.13614	100.0
466.13876	4.0
479.16776	0.9
571.21979	1.5
776.80457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90014	1.2
68.99785	1.8
69.03424	4.2
71.04987	3.9
79.05490	1.9
80.21605	1.4
81.03420	4.7
85.02914	7.6
89.03941	3.6
89.99554	1.4
91.05479	10.9
95.04977	3.1
97.02846	1.7
98.23528	3.2
102.04704	1.7
103.05453	1.8
106.04192	4.1
107.04943	12.9
108.02099	1.6
117.03380	5.8
119.04936	11.2
121.02892	3.2
121.06485	4.2
125.02348	2.2
130.04172	2.6
131.04939	4.4
134.03606	3.3
135.04417	9.0
136.01579	3.7
140.03424	2.9
145.02850	7.4
145.03841	1.7
146.57430	1.5
147.04396	5.1
148.05070	1.4
149.05995	10.0
151.03882	4.0
153.01807	16.3
153.09155	1.6
154.02568	4.0
157.89264	1.3
162.03123	2.7
163.03896	51.7
164.04219	11.0
167.06952	2.2
168.00554	3.9
168.02899	15.2
169.03250	2.6
171.02885	3.8
175.03862	7.8
176.04654	3.3
177.05472	15.7
177.80524	1.4
179.07039	11.1
180.07803	2.5
181.01352	2.4
181.04810	1.8
181.08600	2.3
182.02097	3.2
183.02936	6.8
186.01625	3.0
190.02533	2.0
191.07019	18.8
195.06583	3.6
199.02391	9.1
200.03114	1.8
205.04956	31.6
206.05669	2.8
207.06483	20.9
209.08037	8.8
215.79480	1.4
223.06070	2.3
254.05739	4.3
257.04483	4.1
258.05487	1.7
268.03781	2.3
271.05954	10.0
272.09146	5.5
273.09622	3.0
285.03925	4.3
286.04672	20.9
295.59741	1.4
299.05493	94.4
300.06247	61.4
301.07040	100.0
302.07440	4.7
325.09232	3.8
326.09521	2.4
331.08167	1.5
367.10068	7.1
368.10898	1.8
376.23361	1.5
385.12869	13.8
397.12808	1.7
464.36755	1.5
529.16797	1.5
667.16492	3.1
727.99573	1.6
910.68066	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	898.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	1.6
66.53038	1.1
68.99789	6.5
69.08441	9.4
69.62503	1.2
70.06575	1.4
81.03440	3.8
81.36595	1.3
82.34547	1.4
91.05501	1.6
92.81628	1.1
95.04977	2.4
103.05465	17.3
105.03436	3.1
105.07034	3.7
108.99266	1.9
109.02880	7.4
111.04417	8.9
116.19313	1.1
121.02866	3.7
123.04456	2.3
127.03984	1.3
131.04921	53.5
133.02867	2.3
137.02351	1.9
149.02383	4.6
151.03876	3.0
161.02417	3.0
165.01825	4.4
169.01302	3.2
177.01814	6.9
179.03371	15.1
181.06534	1.5
183.02953	1.6
185.00865	7.0
189.01758	2.0
193.01343	1.7
194.99246	9.6
203.03479	1.8
205.01318	11.7
207.02864	100.0
208.03174	1.6
211.02354	3.0
213.00291	41.2
213.02264	2.8
223.02364	53.9
223.04510	2.9
224.02760	1.6
225.03850	10.3
231.02757	1.3
233.00917	6.2
235.02345	49.3
235.07480	1.9
237.09058	1.4
241.01382	1.4
250.03523	3.7
251.01898	3.7
252.05000	17.8
253.01230	1.9
253.03503	5.4
263.07242	1.9
268.04547	12.9
269.08054	3.7
271.03214	1.5
271.05829	7.6
273.07654	4.0
275.01923	2.2
281.00928	1.8
287.01968	2.2
291.06555	3.7
293.08057	2.9
299.05457	27.2
309.07553	4.9
310.10895	3.5
311.09116	20.4
319.06012	5.9
327.01285	6.4
328.11661	2.0
336.08768	1.9
336.99808	4.5
337.07065	11.2
339.08649	13.4
354.09702	50.1
355.00864	5.3
356.11261	69.5
357.11597	1.8
364.99210	1.6
382.01871	2.0
383.00485	1.4
413.06720	1.9
441.06021	3.2
459.06934	1.9
486.08209	2.9
487.06445	6.6
504.09183	7.2
505.07962	1.7
563.13281	4.7
590.14465	9.9
591.12732	17.4
608.15381	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	898.6091
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.9
69.07059	2.2
70.41785	0.8
71.08627	35.0
73.02909	3.4
73.06554	4.2
79.05479	2.3
81.07068	1.7
85.10178	20.5
85.39537	1.0
87.04462	36.8
89.06024	100.0
90.85608	0.9
91.05474	12.2
93.07036	5.3
95.04973	2.9
95.08618	1.4
97.06525	0.9
103.05479	1.7
105.06986	4.8
106.48409	0.9
107.04946	4.4
107.07054	3.1
107.08582	2.4
109.10152	1.0
113.05999	1.0
115.07579	1.1
117.07025	2.4
117.09131	3.4
118.07824	1.2
119.04949	2.2
119.08559	5.2
121.06500	16.6
121.10121	0.9
130.08630	1.5
131.07027	13.5
131.08566	1.3
133.08592	67.0
135.08028	5.7
135.11659	1.9
145.10097	2.1
147.08060	6.8
149.09615	4.4
149.13322	0.9
150.06812	0.8
161.09656	1.0
163.11215	3.9
165.09116	5.4
167.10689	2.3
175.09674	10.1
175.11125	1.4
177.11212	24.2
177.12721	1.9
184.07202	1.0
185.73149	0.9
191.10709	3.3
193.12306	1.8
209.11771	1.8
211.13319	3.1
219.12292	3.1
221.13899	2.7
235.13310	2.6
245.55817	1.0
247.20576	15.1
255.15877	2.1
261.22272	0.9
265.16364	1.2
273.22168	5.1
283.15268	1.1
289.25421	1.4
291.23157	22.6
299.18451	1.3
300.72882	0.9
313.27487	1.6
317.24707	3.0
335.25742	4.6
361.22437	1.2
377.05371	0.9
398.90414	0.9
409.38812	1.0
439.09283	1.2
519.65320	1.1
549.98694	0.9
881.57520	2.0
898.61224	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	900.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.9
67.05495	5.1
69.03424	28.1
69.07069	1.6
70.47744	1.0
70.48088	1.3
71.04980	0.7
79.05491	5.0
81.03410	15.9
81.07041	6.0
83.04971	24.6
85.02914	0.7
91.05473	11.0
93.07035	6.9
95.04961	5.3
95.08605	5.1
97.06503	1.0
103.05478	1.3
105.07029	11.4
107.04932	1.4
107.08569	4.8
109.06517	3.6
109.10157	1.4
111.04432	48.8
113.05973	1.2
115.05466	2.1
116.06278	0.8
117.07004	11.3
119.04944	1.5
119.08569	9.9
121.06497	2.8
121.10150	2.6
123.08086	1.2
128.06216	2.9
129.06996	6.5
130.07773	1.6
131.04953	0.8
131.08557	25.3
132.69348	0.6
133.06509	2.4
133.10158	5.0
135.08063	2.5
135.11615	0.8
141.07001	3.5
142.07770	3.6
143.08543	10.5
144.09334	2.1
145.06473	2.4
145.10106	20.2
147.08017	2.7
147.11679	2.5
149.06000	0.8
149.09612	1.8
149.13240	1.0
153.07005	1.7
155.08577	6.3
156.09372	3.0
157.08899	0.8
157.10117	10.2
158.10915	2.7
159.08072	2.5
159.11699	7.3
161.09584	3.3
161.13232	0.9
163.11209	1.1
165.07007	1.8
165.09093	1.8
166.07684	1.1
167.08536	2.8
168.09352	2.7
169.10123	4.9
169.25549	0.7
171.08141	1.1
171.11679	7.6
173.09605	2.6
173.13245	42.9
175.11182	1.9
178.07643	0.9
179.08548	1.9
180.09398	0.9
181.10123	5.1
182.10941	1.8
183.08086	1.5
183.11662	9.7
185.09596	1.6
185.13219	3.2
189.12715	6.0
191.08652	1.1
191.10675	4.3
191.14311	3.1
192.09431	1.0
193.10150	2.1
194.10956	0.8
195.08081	1.0
195.11615	3.2
197.09674	1.2
197.13254	4.0
199.11179	1.9
199.14841	1.0
201.12746	11.0
203.08536	1.2
203.14313	1.8
206.10922	1.5
207.11697	2.2
208.12253	0.9
209.09612	1.7
209.13275	2.3
211.11198	1.1
217.10190	1.1
217.12273	1.9
219.11682	1.6
219.13728	12.8
221.13252	2.2
223.11154	2.0
223.14778	0.8
225.12706	1.1
226.44844	0.7
229.12251	1.7
232.12430	0.9
235.14751	0.8
237.16418	1.6
239.14308	1.4
241.12187	1.8
243.13878	1.1
247.13092	1.6
247.15134	1.0
255.17445	1.1
261.14880	1.7
263.14206	0.8
265.16064	4.0
281.15256	0.7
283.16788	3.8
293.15445	1.7
299.16180	0.7
311.16321	5.8
329.17395	6.2
347.18542	2.8
389.19534	100.0
390.19830	3.1
496.95282	0.7
874.58167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68282	0.8
67.05497	7.5
68.99790	2.7
69.03425	35.8
69.07052	7.8
70.93109	1.1
71.04990	4.6
73.02909	6.9
79.05476	6.7
79.05811	0.6
81.03411	29.3
81.07050	13.0
83.01334	1.1
83.08598	4.1
85.02896	100.0
85.06506	0.9
86.03190	1.1
87.00822	48.3
87.04443	1.8
91.03952	2.3
91.05481	7.0
93.07038	16.7
93.07600	1.2
95.04973	1.5
95.08599	33.1
97.02883	43.2
97.10159	2.3
99.04449	13.1
99.08085	7.8
103.03975	1.4
105.01856	65.4
105.07021	18.3
107.08582	26.7
109.02868	39.1
109.10145	25.3
115.03922	1.7
117.01861	2.9
117.06998	1.5
118.11364	0.8
119.08564	35.9
121.10131	29.4
121.10985	1.8
123.11674	5.1
125.55058	0.8
127.03903	74.8
129.01840	2.8
129.06926	1.3
131.08549	17.0
133.10110	27.0
135.11678	18.2
137.13275	2.1
141.01895	0.8
143.08575	1.9
145.04945	31.2
145.10106	25.8
147.02882	2.3
147.11673	27.4
149.13235	8.5
151.03741	0.9
157.10146	4.7
157.11272	0.9
158.10861	1.0
159.02887	13.0
159.11682	26.0
159.12949	1.8
161.13229	11.5
163.07515	1.9
163.14798	13.3
171.11688	2.1
173.13240	11.8
173.14587	1.3
175.14809	11.8
177.03955	1.0
177.05469	1.6
177.16388	3.3
179.14301	2.0
183.11664	1.7
185.13197	3.8
186.14038	2.1
187.14798	24.1
189.03949	3.0
189.16362	15.6
191.17923	99.5
192.18355	2.4
193.15916	1.3
197.13275	1.8
199.14754	4.1
201.16356	64.7
202.16640	1.2
203.14326	1.5
203.17935	14.5
205.19508	2.4
207.17415	7.6
211.14726	1.1
213.03883	8.2
213.16364	5.8
215.17911	3.9
217.19427	7.8
219.13866	1.3
219.17395	10.0
219.24551	0.9
221.15388	1.9
225.16312	1.3
227.17946	3.8
229.15924	1.9
229.19514	4.2
231.04967	34.9
231.21132	1.7
233.15356	1.5
235.76781	0.8
239.18076	0.9
241.19597	2.7
247.16914	21.1
249.06039	20.2
253.07085	3.4
255.21059	0.9
259.16919	1.3
265.18051	2.7
271.08170	1.7
275.20163	1.3
281.22449	1.2
313.25272	2.6
327.23166	1.4
341.24698	2.1
355.11484	1.1
357.07965	1.6
359.25784	6.2
371.25681	2.4
375.09262	2.7
391.33493	12.3
393.10165	2.7
409.34628	24.3
410.34741	1.2
411.11365	1.4
419.32846	1.3
427.35516	3.2
428.13995	18.0
437.34064	32.2
437.40091	1.9
438.34323	1.2
455.35147	45.3
456.35373	2.1
473.36084	1.0
694.29254	1.0
825.32715	1.0
900.30853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	12.7
69.03414	2.0
69.07063	7.3
71.04974	1.3
71.08624	24.6
73.02899	2.9
79.05474	8.8
81.03411	54.8
81.07047	16.2
83.04969	2.7
83.08614	16.0
85.02888	5.3
85.06522	1.3
85.10175	14.1
87.04475	4.9
89.06015	11.8
90.06367	1.8
91.03941	3.4
91.05467	11.1
92.05846	0.9
93.07040	5.9
95.04958	18.7
95.08601	17.6
97.02865	4.0
97.06494	1.7
97.10149	4.6
103.05444	1.1
105.07011	10.0
107.04945	5.1
107.08573	3.2
108.07801	0.8
109.06494	1.5
109.10167	6.0
111.04415	0.8
111.08070	5.3
117.07023	1.6
119.08561	6.0
121.06486	3.6
121.10117	3.3
123.04492	1.8
123.07980	1.1
123.11681	2.5
124.54861	0.7
125.09624	1.2
127.03923	1.4
129.07025	5.6
131.07043	0.8
131.08565	5.8
133.06454	1.9
133.08601	6.2
133.10120	3.5
134.08913	1.1
135.08041	0.8
135.11728	0.8
142.07750	1.9
145.04959	1.7
145.10112	1.3
147.04433	1.0
147.08025	3.3
147.11652	4.7
149.09612	3.1
153.03088	1.3
157.10117	7.3
163.05994	3.2
163.11166	1.7
175.09747	1.5
175.11125	6.2
177.11188	3.0
191.10570	0.9
193.10497	1.7
193.12224	22.6
211.13268	1.1
235.13300	1.3
239.23685	1.5
247.20586	1.1
248.20932	1.0
249.14754	1.4
257.24759	2.0
259.13196	1.8
267.15881	100.0
268.16251	3.1
291.23111	1.7
292.23416	2.0
301.14227	2.0
309.16891	2.3
313.27335	89.3
314.27689	2.4
329.15335	0.8
505.38821	81.8
506.39066	3.5
523.39789	1.2
547.39911	6.3
601.40900	2.2
613.40393	2.5
631.42615	1.2
649.43524	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	903.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24246	12.6
87.73269	1.9
91.05508	3.6
95.47617	1.8
98.22052	1.6
103.05463	16.9
104.01363	2.3
105.03433	2.2
105.04560	4.0
110.02401	5.3
112.97108	2.0
121.03996	3.2
131.04933	38.2
131.05991	2.9
133.02887	3.4
135.05560	2.2
138.01904	6.3
147.05486	3.1
148.03883	2.5
149.03392	3.8
149.53123	2.0
150.05560	2.8
152.03453	3.1
159.05562	7.8
160.03981	7.9
161.03503	4.4
161.04707	5.0
161.07159	2.1
163.05000	12.0
166.01442	4.6
167.02185	16.5
168.02922	13.4
173.03487	2.5
175.05104	4.9
178.01378	5.7
178.05063	2.9
179.04495	3.2
185.03328	14.3
187.05026	13.6
188.03444	7.4
188.05833	14.0
189.02962	4.1
189.06570	23.6
194.04500	6.6
200.05852	2.4
203.04539	5.5
205.02492	12.7
205.06059	5.2
207.04068	7.7
213.02969	2.8
215.04504	54.4
217.06056	3.5
221.05360	3.4
231.04024	7.0
233.05557	14.5
241.02481	4.8
243.04015	2.7
254.62053	2.1
259.03491	27.1
265.09631	4.5
270.07608	3.0
271.08405	8.5
272.09174	10.9
275.03107	3.3
277.04642	4.3
282.07642	6.5
291.07788	4.5
291.11246	4.8
293.09167	5.3
298.10663	2.4
307.10870	2.8
317.09222	9.4
319.10794	35.6
345.08679	100.0
346.08871	6.3
352.05585	2.3
361.08179	32.8
362.08920	4.4
363.09772	23.7
410.81534	2.4
451.55655	2.3
484.11349	5.7
526.55475	2.0
546.17523	2.1
561.19098	5.0
562.15936	3.4
570.16687	2.6
588.17407	8.8
589.16748	2.5
590.19006	3.2
614.15344	7.3
632.16705	23.6
634.18158	68.1
635.18317	4.4
859.25159	3.2
903.24719	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	903.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.4
67.05492	0.8
68.28557	0.3
68.99792	0.6
69.03425	5.6
69.07051	0.4
71.01353	0.3
71.04975	0.5
71.42919	0.3
73.02924	0.9
79.05474	0.6
81.03413	6.5
81.07028	0.4
83.01295	0.5
83.04962	1.5
83.08656	0.5
85.02405	0.7
85.02899	11.0
86.94884	0.3
87.00816	4.8
91.05476	0.9
93.07054	0.5
95.04967	1.1
95.08604	0.8
97.02892	5.5
99.04438	1.9
101.02366	0.4
103.05479	0.4
104.63700	0.3
105.01854	3.0
105.07036	0.4
107.05015	0.5
107.08584	0.5
109.02864	6.4
109.10159	0.6
111.04430	1.0
115.03994	0.4
119.04922	0.4
121.02821	0.3
121.06481	0.6
121.10130	1.2
121.48431	0.3
123.04433	1.4
125.02348	0.7
127.03902	10.6
129.01842	0.6
129.05571	0.4
131.04924	0.9
135.04390	0.4
137.05992	0.5
139.03899	0.5
145.04956	1.7
147.04404	0.7
147.06514	0.3
149.05983	0.7
151.03905	1.4
159.02867	1.0
159.75035	0.3
161.05960	0.5
163.03886	0.6
165.01968	0.3
165.05447	0.5
165.55434	0.3
167.07056	0.4
169.04970	1.7
171.02875	0.5
173.09695	0.4
175.03966	0.6
177.05481	1.3
179.03372	5.5
179.06990	0.4
181.04921	0.4
187.05978	1.3
187.07561	0.7
189.03949	1.2
189.05521	0.6
189.09119	0.3
193.04939	4.9
193.08545	0.4
195.06516	0.4
197.09537	0.6
199.07574	0.5
205.04919	2.7
205.08571	0.9
206.05186	0.3
207.06436	2.7
208.06956	0.5
209.08044	1.1
210.08344	0.4
213.03949	1.2
213.09160	0.6
215.07089	0.5
217.08644	1.5
219.06494	0.7
219.10109	0.5
219.78444	0.3
221.08067	0.7
223.06084	0.4
225.09065	1.3
227.10675	0.6
231.05009	1.2
231.10204	1.1
233.08076	2.6
234.08626	0.5
235.09605	0.7
241.08519	0.5
243.10161	2.5
245.08153	1.2
251.10751	0.4
255.04936	0.6
257.11713	0.4
259.09668	0.8
268.10941	0.7
273.06042	4.0
276.00299	0.3
282.12329	0.4
296.13992	0.6
299.12674	0.5
301.14233	1.1
311.16373	0.7
314.15100	0.5
315.07272	0.5
329.17450	4.4
339.07071	0.7
361.16470	2.5
389.19540	100.0
390.19861	4.2
407.20593	28.9
408.20905	1.3
470.39297	0.4
733.76587	0.4
761.17859	0.3
771.11096	0.3
793.70795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.4
71.04983	0.6
73.02934	0.4
79.05495	0.9
81.03417	2.6
83.04977	0.7
85.02901	6.2
87.00808	2.5
91.05510	0.7
93.07024	1.0
95.04980	0.7
95.08591	1.0
97.02879	3.3
99.04444	1.5
103.03957	0.5
103.05443	1.1
105.01855	1.9
105.07029	0.9
107.04987	1.9
107.05579	0.4
107.08568	1.2
109.02874	4.4
109.10132	0.4
111.04423	0.9
115.05405	0.4
119.08591	1.0
121.10144	6.3
123.04412	0.9
125.02300	0.4
127.03917	5.7
131.08630	0.4
133.10130	0.7
134.23720	0.4
135.04411	0.6
137.05956	1.0
139.03867	0.5
139.11200	0.9
145.04945	0.5
147.04399	0.5
147.41516	0.3
148.76306	0.4
149.02458	0.4
149.05984	0.4
151.03931	1.2
151.07527	1.1
153.05478	0.7
157.10222	0.5
159.02872	0.4
163.03902	21.6
163.07526	1.7
165.05446	3.6
169.04990	0.6
171.02933	0.4
175.07530	0.6
177.05467	37.6
177.09068	1.2
178.05872	0.6
179.07034	1.0
181.05000	0.7
181.10185	0.3
187.06004	0.8
187.07579	1.1
189.03976	0.8
189.05478	1.4
189.09068	0.7
191.07022	12.9
192.07373	0.4
193.08540	0.7
195.06546	2.0
199.07634	0.4
201.05428	0.5
201.09091	1.0
203.07147	0.6
211.11191	0.5
212.08368	0.6
213.03970	0.8
215.07143	0.5
215.10703	0.9
217.08559	1.7
219.10120	0.4
223.06046	1.1
227.10681	1.1
229.08617	0.9
231.05005	0.7
243.10211	0.9
243.13782	0.5
249.06316	0.5
257.15286	2.7
267.13889	0.6
270.12698	0.8
273.05991	2.1
285.14957	2.9
295.16943	1.3
298.15704	0.5
303.15915	0.5
313.18018	2.5
315.08649	0.7
331.19031	1.1
345.16965	13.8
373.20084	35.6
374.20453	1.1
391.21130	100.0
392.21301	2.8
496.05124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05160	2.8
67.05499	42.0
69.03410	5.2
69.07066	10.7
71.04972	3.3
71.82603	1.3
73.02895	3.8
74.88326	1.3
79.05479	38.4
81.02962	2.9
81.03409	37.8
81.03889	2.1
81.07048	44.6
83.04986	9.8
83.08615	15.7
85.02898	24.1
85.06560	1.8
87.04448	3.1
89.06028	1.6
91.03951	6.4
91.04935	2.7
91.05471	33.1
93.07037	35.7
95.04961	20.9
95.08595	26.1
97.02887	7.6
97.06522	3.5
97.10156	3.7
99.17912	1.4
102.94491	1.4
105.04498	1.7
105.07010	24.0
107.04932	5.7
107.08587	18.8
109.06500	3.6
109.10160	10.3
111.04394	1.5
111.08061	8.1
113.05994	1.8
117.07002	5.7
119.08572	16.9
121.10134	18.0
123.08067	2.2
123.11694	3.6
124.03929	6.2
127.03910	2.1
129.07004	5.6
131.08554	13.3
133.06453	1.7
133.10112	12.9
135.11671	5.9
142.07777	2.2
145.05000	3.2
145.10101	3.9
147.08006	4.2
147.11665	9.8
149.09576	5.2
149.13231	2.9
157.10129	9.8
159.11678	1.7
161.13182	3.7
163.06058	3.1
163.14662	1.9
173.13264	2.4
175.11127	10.2
175.14752	1.6
193.12209	28.3
211.13269	31.9
224.55324	1.4
243.21121	3.0
261.22116	6.6
267.15848	8.5
285.16925	48.0
335.25757	66.3
336.25867	1.6
435.32111	2.6
527.37268	13.7
545.38342	100.0
546.38263	4.8
560.26221	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.4
67.05500	24.8
69.03433	3.0
69.07061	7.1
71.04997	3.2
71.08642	1.7
73.02904	1.7
77.78331	0.8
79.05488	20.8
81.03415	33.0
81.07050	29.8
83.04984	7.1
83.08618	15.1
83.75264	1.0
85.02898	16.2
85.06564	1.3
87.04483	3.3
89.06004	2.1
91.03947	3.7
91.05470	17.4
93.07045	22.1
93.07613	1.8
95.04958	14.6
95.08602	17.6
97.02895	3.8
97.06544	2.5
97.10182	3.0
98.22616	1.3
99.04449	1.0
105.07025	18.7
107.04958	2.4
107.08582	13.3
109.06497	2.1
109.10144	7.4
111.04455	1.5
111.08097	5.1
113.00043	1.3
113.06027	1.0
117.07034	2.9
119.08569	12.1
121.02891	0.9
121.06505	1.0
121.10159	10.0
123.08056	1.6
123.11713	3.7
125.09659	1.8
127.01576	1.2
127.03955	1.0
129.07018	4.1
130.53146	0.8
131.08543	8.2
133.08592	2.2
133.10117	8.2
135.11693	5.8
137.09689	1.0
137.13252	1.0
139.01547	3.5
142.07811	2.1
143.08549	1.3
145.04910	1.4
145.10132	3.5
147.08032	1.9
147.11693	10.0
149.09604	2.7
149.13275	2.5
153.03075	0.9
157.10103	7.9
159.11682	1.8
161.13278	1.6
163.06044	2.5
163.11246	2.2
165.12804	2.0
169.05322	1.1
173.13228	1.5
175.11162	8.7
183.04285	1.3
191.14520	1.0
193.12221	25.9
193.13963	1.7
209.11696	1.1
211.13266	36.3
227.12834	2.2
243.21086	2.5
261.22183	4.7
267.15881	7.6
277.21576	1.0
283.15402	1.9
284.15714	1.3
285.16943	35.0
317.24768	1.6
335.21735	1.7
335.25781	35.2
336.26166	2.4
527.37604	7.7
543.36145	1.2
545.38330	100.0
546.38782	5.0
553.24146	0.9
887.50830	1.6
904.47308	1.8
905.49982	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	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.3
67.05501	28.1
69.03413	2.7
69.07064	6.4
71.04981	2.9
71.08634	0.5
73.02916	2.9
73.06541	0.4
77.03904	0.6
79.05489	23.1
81.03413	27.9
81.07050	27.5
82.07372	0.8
83.04977	6.8
83.05438	0.6
83.08612	12.4
85.02899	16.2
85.06549	1.3
87.04456	3.2
89.06027	4.7
89.43005	0.4
91.03952	2.5
91.05473	16.9
92.05869	0.5
93.07036	23.2
95.04958	12.8
95.08600	19.5
95.09215	0.8
96.08939	0.7
97.02878	3.7
97.06525	2.0
97.10153	2.2
98.23530	0.9
99.04477	0.6
99.08099	0.7
103.05534	0.8
105.03398	0.9
105.04528	1.2
105.07021	18.5
106.07324	0.7
107.04945	2.5
107.08587	12.1
109.02869	0.7
109.06538	2.0
109.10143	8.6
111.04442	1.2
111.08079	4.9
113.06024	1.2
115.05415	0.6
115.07607	0.5
116.58450	0.5
117.07024	3.4
119.05008	0.4
119.08578	11.8
121.06532	1.3
121.10138	11.1
121.10981	0.8
123.08094	1.1
123.11659	2.8
125.09633	1.1
127.03923	0.9
129.06992	4.0
131.08557	8.1
132.08960	0.4
133.06499	1.2
133.08612	3.0
133.10121	6.9
134.10506	0.7
135.08118	0.7
135.11691	6.0
136.11949	0.4
137.09634	1.0
137.13327	0.6
138.43542	0.5
139.01532	0.7
142.07745	1.1
145.04936	1.2
145.10121	3.9
147.08052	1.7
147.11673	7.7
149.09618	2.8
149.13228	2.4
149.86700	0.4
157.10101	5.7
159.11696	1.7
161.12024	0.4
161.13306	1.7
163.06035	0.8
163.11221	2.5
163.14821	1.4
165.12779	1.1
167.35648	0.4
173.09564	0.5
173.13290	1.4
175.11156	6.9
175.14787	0.7
177.11246	1.3
177.16457	0.4
177.44168	0.4
183.11612	0.5
184.07330	0.4
187.14847	1.1
193.12221	21.2
194.12822	0.4
195.84506	0.4
201.16310	0.4
211.13281	23.9
221.13730	0.5
225.12790	0.7
227.12804	1.9
228.13127	0.9
243.21005	1.1
251.10698	1.0
261.22134	5.5
267.15851	5.7
283.15433	1.5
284.15659	1.1
285.16949	27.7
286.17300	0.7
301.25339	0.7
317.24683	1.0
335.25775	44.8
336.25983	2.9
337.26450	1.0
429.21442	0.8
433.21750	1.1
434.21979	0.9
435.32388	0.8
453.33646	0.7
527.37231	8.1
543.36267	0.7
544.37030	2.1
545.38312	100.0
546.38684	4.4
563.39294	0.8
671.40979	0.6
689.42572	1.6
742.44885	0.5
896.15155	0.5
904.48499	0.8
905.50555	0.7
918.27631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.2
70.06607	0.1
70.38520	0.2
77.03917	0.4
79.05487	1.1
81.03394	0.2
83.85901	0.1
85.02889	1.2
85.06535	2.0
91.03960	0.1
93.52114	0.1
95.04953	2.0
97.02889	0.3
100.29475	0.1
105.04509	0.8
107.04942	100.0
108.05264	1.3
109.02888	0.1
119.04870	0.1
127.03902	0.3
137.05962	0.1
145.04965	0.7
145.08580	1.7
163.05969	0.4
170.29211	0.1
191.09103	0.8
213.09102	2.0
231.90292	0.1
254.28102	0.1
260.96005	0.1
267.88510	0.1
269.10165	0.2
289.09244	0.1
297.13275	0.4
298.44977	0.1
314.10300	0.1
325.11115	0.7
575.93939	0.1
595.62903	0.1
733.61926	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	906.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.2
73.02917	0.4
73.06561	0.5
77.03920	0.5
79.05485	4.5
81.76981	0.1
83.20724	0.2
87.04461	100.0
88.04812	0.9
89.06022	3.4
91.05476	1.6
93.07035	0.3
95.04955	2.5
103.04777	0.2
103.05463	4.0
105.04636	1.0
105.07021	83.6
106.07361	1.1
114.75766	0.2
116.06177	0.2
117.07013	0.3
117.09129	0.6
119.08547	0.4
121.06503	2.7
129.06990	0.7
131.07056	2.1
131.08559	3.9
133.06483	0.3
133.08586	1.6
133.10127	0.5
139.01526	0.5
147.08038	2.1
149.09616	0.6
161.11682	0.2
165.09093	0.4
166.07726	0.2
169.10081	0.2
173.09604	0.4
175.09665	0.5
177.11169	0.5
178.07814	0.2
181.10097	0.4
207.11806	0.2
209.13295	0.2
219.12280	2.6
221.09564	0.2
223.11143	0.5
225.12715	4.6
249.12650	0.3
251.14296	9.9
252.14647	0.3
253.15915	1.2
260.86694	0.2
263.14819	0.3
267.13596	0.2
269.15311	0.8
298.38889	0.2
301.15741	0.2
313.17761	0.5
327.17502	0.8
329.18936	3.4
353.18478	0.2
373.21497	1.6
469.13010	0.2
477.27798	1.3
561.41052	0.2
906.53546	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	906.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.5
69.09409	2.4
71.04990	0.5
73.02913	2.0
73.06536	2.9
77.03923	1.1
79.05046	0.5
79.05487	7.4
81.07033	0.5
85.02901	0.5
87.04469	3.7
89.06023	10.9
91.05477	13.0
93.07031	1.7
95.04958	3.7
96.73936	0.4
101.16992	0.4
103.05470	7.8
103.07573	49.2
103.51984	0.4
104.07889	0.5
105.04499	1.3
105.07020	100.0
106.07362	1.5
107.04948	2.1
115.05444	0.7
115.07516	0.4
117.07001	2.4
117.09128	3.5
119.04897	0.9
119.08568	6.4
119.83983	0.4
121.06501	12.9
128.06209	1.7
129.06979	3.3
131.07005	1.3
131.08551	8.2
132.05688	0.8
133.06500	0.8
133.08595	6.9
133.10138	0.9
135.08073	0.7
135.84911	0.4
145.06500	1.1
147.08043	46.1
147.10104	19.6
148.08365	0.6
149.09610	8.6
161.11703	0.6
165.06989	0.5
165.09158	0.5
165.83322	0.4
166.07805	0.7
173.09601	0.7
175.09657	1.1
175.11195	0.7
177.11137	2.8
179.08591	0.6
181.10101	1.9
191.10822	1.0
191.12756	1.4
192.09254	0.4
193.12280	0.8
195.11829	0.5
205.10217	0.4
208.08878	1.1
209.11539	0.4
223.11104	2.5
225.12724	21.7
226.13089	0.6
235.15346	0.5
249.12761	4.0
251.14299	3.3
255.15834	0.5
267.14105	0.7
269.15384	1.5
295.16910	0.6
311.16321	1.0
313.18201	0.8
327.17361	0.9
329.18918	1.0
353.58191	0.5
373.21558	6.9
547.39905	0.6
669.53918	0.5
906.53534	11.6
907.55487	0.7
923.66071	0.5
931.16180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.4
67.05215	0.3
67.05503	3.2
69.03422	0.4
69.07036	0.4
69.65382	1.0
70.72851	0.3
71.04967	0.7
73.02910	1.3
73.06554	3.4
74.03799	0.3
75.31826	0.2
77.03907	1.1
79.05486	8.0
81.03395	0.4
81.07053	1.8
82.54926	0.2
83.04952	0.3
83.08632	0.4
85.02877	0.6
87.04460	4.2
89.06025	11.4
91.05472	13.0
93.07040	3.0
95.04406	0.4
95.04961	4.3
95.08589	1.1
97.06478	0.2
103.05471	7.3
103.07572	55.1
105.04558	2.0
105.07020	100.0
105.16593	0.3
106.07326	1.2
107.04944	2.2
107.07047	0.4
107.08607	0.7
109.10145	2.6
113.05991	0.5
115.05444	0.8
115.07555	0.4
116.06237	1.0
117.06997	2.4
117.09128	3.9
119.04948	1.3
119.08568	7.1
121.06493	13.1
121.10114	0.5
128.06203	1.6
129.07002	3.8
131.07072	1.7
131.08557	10.6
132.05690	1.3
133.06497	0.8
133.08597	8.1
133.10144	1.1
135.08070	1.0
135.10139	0.4
135.11665	0.5
137.09682	0.4
145.06487	1.3
145.10132	0.4
147.08044	47.6
147.10110	24.3
148.08432	0.9
149.02335	0.4
149.09602	9.2
149.10793	0.5
155.06004	0.4
159.07986	0.3
161.11749	1.0
163.07544	0.4
163.11169	0.6
165.07097	0.6
165.09126	1.0
166.07797	0.7
173.09685	0.9
175.09709	1.0
175.11192	0.5
177.11211	2.6
178.07831	0.4
179.08609	0.7
181.10139	1.7
191.10715	0.7
191.12816	1.6
193.12326	0.8
207.11711	0.5
208.08887	0.6
209.09677	0.3
209.11673	0.4
209.13474	0.4
219.12215	0.3
221.09628	0.3
221.13847	0.7
222.10756	0.3
223.11124	2.4
225.12718	26.8
226.13055	0.5
227.12883	0.6
237.12917	0.4
249.12727	3.1
251.14334	3.9
255.16127	0.5
267.13956	0.9
269.15366	2.3
277.15985	0.3
282.44394	0.3
287.18530	0.3
295.17062	0.5
297.19122	0.3
311.16617	0.6
313.17923	1.2
315.18225	0.5
327.17603	0.9
329.19257	1.2
335.26025	0.7
337.27213	0.3
339.19589	0.3
373.21561	7.8
374.22198	0.6
489.35574	2.9
507.87756	0.3
515.37805	0.7
547.39874	3.9
551.08844	0.3
727.91388	0.3
785.47504	0.4
889.53949	0.5
906.55408	11.3
907.56659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	0.9
85.38918	0.4
92.57090	0.4
100.11238	0.7
106.85857	0.4
107.95130	0.4
109.08553	0.4
144.05711	0.4
147.04422	0.6
167.03238	0.4
185.04231	0.6
199.47118	0.5
201.05286	1.0
216.07574	8.8
217.08334	8.5
227.05261	1.1
238.06999	0.6
249.85420	0.5
271.04263	1.2
277.08911	0.5
292.07916	0.5
295.10300	1.2
349.11179	0.4
379.13535	4.4
403.13223	0.4
421.14664	12.4
446.38297	0.5
465.13644	100.0
466.13846	4.7
906.67896	1.2
907.31622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76509	0.1
69.22715	0.7
70.05243	0.2
73.02909	0.5
73.06564	0.9
75.00183	0.1
77.03903	0.8
79.05488	6.1
79.05952	0.3
79.62598	0.1
81.22053	0.2
82.09982	0.2
83.78417	0.2
87.04466	5.3
89.06026	27.8
91.05469	2.7
93.07034	0.5
95.04963	2.8
102.62521	0.2
103.04772	0.2
103.05461	5.4
105.04598	1.4
105.07024	100.0
106.07339	1.2
107.04971	0.3
107.07051	0.5
109.08125	0.1
112.22755	0.2
115.05406	0.3
116.06231	0.3
117.07019	0.5
117.09118	0.6
119.04937	0.3
119.08554	0.8
121.06502	3.2
128.06224	0.2
129.06947	1.1
130.08636	0.4
131.07057	1.3
131.08557	5.2
133.08597	15.4
133.10194	0.5
145.06487	0.4
147.08047	2.6
149.09584	0.8
155.08568	0.1
161.11696	0.2
165.07043	0.3
165.09119	0.4
166.07710	0.5
173.09579	0.4
173.10976	0.1
175.09714	0.8
175.11047	0.2
177.11205	6.2
178.07817	0.3
179.08392	0.2
181.10091	0.4
183.10117	0.2
191.10632	0.2
197.09612	0.2
209.11517	0.2
209.13271	0.2
221.13754	1.1
223.11072	0.7
225.12735	5.2
228.63945	0.2
239.14529	0.4
249.12682	0.5
251.14293	9.9
252.14655	0.4
253.15869	2.1
265.16455	0.2
267.13751	0.3
269.15305	1.2
271.15393	0.2
283.17413	0.2
295.16794	0.3
309.18860	0.3
311.16275	0.3
313.18054	0.8
322.05600	0.2
327.17212	1.3
327.20328	0.2
329.18982	6.0
330.19360	0.3
338.76514	0.2
353.18726	0.3
355.20435	0.3
371.19824	0.4
373.21667	2.6
375.65460	0.2
403.23730	0.2
417.23834	0.3
433.25168	0.2
463.26871	0.2
464.10992	0.2
477.27798	2.1
683.39984	0.9
685.79810	0.2
787.45215	0.5
891.51312	0.3
908.52924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.1
69.23209	0.9
69.70472	0.1
73.02898	0.4
73.06553	1.0
77.03915	0.9
79.05486	6.5
87.04464	5.7
89.06024	30.1
91.05471	3.0
91.07616	0.3
93.07049	0.6
95.04965	3.3
98.23409	0.4
101.30592	0.1
103.05462	5.4
105.04621	1.4
105.07021	100.0
106.07386	0.8
107.07060	0.5
113.06023	0.2
116.06268	0.3
117.06971	0.5
117.09129	1.0
119.04922	0.2
119.08555	0.8
121.06493	3.9
129.06996	1.0
130.08646	0.2
131.07066	1.5
131.08554	4.8
133.08595	20.2
133.10196	0.5
134.08981	0.2
141.06981	0.2
145.06487	0.3
146.48788	0.2
147.08018	2.5
149.09596	0.6
155.08580	0.2
155.97212	0.2
161.11668	0.3
165.06970	0.4
165.09071	0.4
166.07719	0.3
169.10146	0.2
173.09575	0.5
175.09674	1.2
177.11201	7.8
179.08499	0.3
180.09085	0.2
181.10117	0.4
191.10623	0.2
192.09303	0.2
202.60420	0.2
209.09518	0.2
209.11667	0.3
219.12228	0.4
221.13831	1.2
223.11122	1.0
223.15263	0.2
225.12721	5.5
227.12721	0.5
235.14906	0.2
239.14708	0.3
249.12733	0.3
251.14296	9.2
252.14488	0.2
253.15959	1.7
265.16403	0.3
267.13699	0.5
267.17419	0.3
269.15381	1.4
271.15335	0.2
283.17276	0.4
295.16843	0.7
309.18915	0.3
311.16364	0.4
313.17911	1.2
315.17984	0.2
327.17218	1.6
327.20135	0.2
329.18954	7.5
330.19128	0.2
355.20706	0.3
357.20462	0.3
373.21613	4.0
417.24063	0.3
419.23846	0.3
463.26889	0.2
477.27856	2.9
540.70953	0.2
550.75568	0.2
579.32550	0.2
683.39862	1.0
787.44629	0.7
891.52325	0.2
908.53412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.6
67.05515	0.8
69.03426	0.8
69.68643	0.5
71.04983	0.1
75.91496	0.1
77.03920	0.2
80.02627	0.2
81.02956	0.2
81.03413	3.5
85.02905	1.0
85.08566	0.1
93.03394	0.9
93.97478	0.1
95.04976	0.7
97.02870	0.9
97.10023	0.1
99.04469	0.3
105.04498	0.1
108.02086	1.1
109.02883	1.5
110.03621	0.2
111.04441	1.8
116.80666	0.1
119.00230	0.1
119.86954	0.1
121.80177	0.1
123.04396	0.2
125.06001	1.2
127.03902	0.6
136.01527	0.3
139.50195	0.1
141.05443	1.4
145.04898	0.2
151.03900	70.6
151.04968	4.9
152.04237	1.1
152.05275	0.2
169.04955	6.1
178.44824	0.1
185.76814	0.1
224.04532	0.2
235.14032	0.1
235.97717	0.1
242.05786	0.2
269.04355	0.2
270.05209	22.0
271.05588	0.4
284.03152	0.2
285.07547	100.0
286.07904	3.4
295.08112	4.7
296.08365	0.2
313.09177	4.3
393.09433	0.2
440.21603	0.1
522.98737	0.1
597.16101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03648	0.5
65.03941	5.6
67.05480	1.8
68.99791	2.3
69.03069	1.0
69.03423	13.2
71.42822	0.4
71.96635	0.5
77.03909	0.7
78.04687	1.1
79.01787	0.5
79.05470	1.7
79.17716	0.4
81.03407	4.1
81.56487	0.5
81.60524	0.4
82.04174	0.6
83.04961	2.3
85.02895	3.1
89.03904	1.6
91.05476	10.1
93.03410	4.0
93.07036	0.7
95.01300	0.9
95.04959	3.7
97.02898	2.7
99.04458	1.0
101.07640	0.5
102.04671	0.8
103.05453	2.4
105.03371	1.4
105.04470	0.7
105.07024	1.8
106.04180	2.8
107.04942	7.2
109.02854	1.8
111.00799	0.9
111.04469	2.2
115.05437	1.9
117.03357	1.3
117.06998	0.6
118.04169	2.4
119.04058	0.6
119.04923	10.8
121.02846	4.6
121.06506	3.1
123.04411	2.4
125.02342	1.0
125.05957	1.2
127.03909	7.7
129.07010	0.6
130.04175	2.3
131.04904	3.1
132.02010	0.7
132.05690	1.1
133.02815	1.3
133.06503	2.7
134.03607	1.6
135.04436	3.0
137.02312	1.7
137.05975	0.8
138.03082	0.8
139.00214	1.3
139.03851	1.6
139.68932	0.5
140.04631	3.7
141.07037	0.6
143.04881	0.6
144.02010	1.7
144.05682	0.7
145.02829	2.4
145.06476	1.2
146.03575	0.8
147.03299	0.7
147.04401	9.3
148.05177	1.3
149.02327	5.2
149.05959	4.1
151.03856	1.6
151.07487	0.6
152.00992	0.6
153.01810	1.3
153.05423	1.5
153.09044	0.7
154.02574	0.7
155.04977	0.8
155.07011	1.9
157.01324	3.9
157.03947	0.9
157.06503	0.8
159.04369	0.8
161.02313	2.3
161.05991	3.3
162.03099	2.2
163.03877	7.5
163.07465	0.8
164.04594	0.9
165.01743	0.8
165.05385	0.6
167.03415	2.9
167.07033	4.3
169.06438	0.8
170.02155	0.6
170.03532	0.6
171.04315	0.6
171.06526	1.0
172.01620	0.7
173.02275	0.7
173.06044	0.8
175.03897	18.0
176.04672	3.7
177.01819	1.3
177.05467	6.3
178.02579	1.4
178.05943	0.7
179.07005	5.4
180.07774	0.6
181.01361	1.0
181.04942	29.3
181.08488	1.7
184.05220	0.6
185.05951	0.6
187.03871	0.7
188.04694	0.9
189.01843	0.7
189.05434	2.2
190.02571	3.0
190.06227	0.5
191.03355	3.7
191.07001	10.5
192.07562	0.8
193.08592	1.3
195.02985	2.4
195.06476	1.5
197.04428	2.6
197.05977	0.5
199.02408	0.6
201.05367	0.8
203.07045	1.8
205.04945	75.1
206.05510	2.8
207.06502	32.4
208.06812	1.1
209.08069	5.0
213.03854	6.6
213.05446	0.7
215.07010	1.0
216.78690	0.5
217.04991	0.7
219.06422	1.7
221.08139	0.5
223.05989	13.2
224.06477	0.7
229.05034	0.8
230.05740	0.7
231.06462	1.9
233.08069	1.9
241.04918	1.4
242.05650	0.8
245.08026	1.3
247.05957	0.8
247.09659	0.9
249.07558	3.6
250.06071	0.6
253.04984	1.4
254.05696	3.4
257.04602	0.6
257.08270	0.9
259.05975	0.7
261.07596	1.3
263.09293	0.9
269.04361	3.0
271.05981	10.5
272.06622	0.6
275.05807	0.6
275.09204	0.7
277.07034	4.2
281.04443	1.4
282.05127	5.1
283.05850	2.7
285.04111	0.8
285.07495	1.2
288.06256	0.5
291.08774	1.0
293.04391	1.1
299.05502	11.9
300.06238	12.4
301.07022	0.6
309.03735	0.6
313.07138	0.9
314.07809	1.7
315.08591	100.0
316.08939	3.0
325.06998	1.8
329.10150	2.7
331.08044	10.0
339.08582	7.5
349.09134	13.9
351.10858	2.8
353.10019	0.6
367.10211	18.2
368.10721	1.2
369.11826	5.3
385.12701	7.9
397.12650	1.0
445.33493	0.6
459.12546	0.8
477.12039	1.4
491.13409	0.9
519.12860	3.7
547.18011	1.1
567.55115	0.5
649.14996	1.8
675.80725	0.6
681.18066	37.1
682.18115	2.4
827.31244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02362	0.2
65.03642	0.1
65.03934	1.1
67.05493	0.2
68.99780	0.3
69.03399	0.3
69.12529	0.8
71.04967	0.1
73.02911	0.2
75.04469	1.0
76.03109	0.1
76.44789	0.1
77.03899	0.2
78.04700	0.9
79.05459	0.5
81.03411	1.6
82.04184	0.2
85.02892	1.2
89.03910	1.6
89.06008	0.4
91.05474	9.2
93.03397	3.4
93.07042	1.6
94.04150	0.2
95.04958	1.6
95.99287	0.1
96.76363	0.1
97.02856	0.2
97.06531	0.7
98.22700	0.2
99.04397	0.2
103.05462	2.3
105.03366	0.4
105.04488	0.4
105.07004	0.3
106.04167	8.1
107.04989	0.6
108.02084	0.3
108.05711	0.2
109.02884	0.4
109.06512	0.3
111.04358	0.2
115.05441	0.1
117.03374	2.3
118.04146	2.0
119.04940	7.9
120.05704	0.2
121.02840	0.5
121.06496	8.9
122.07299	0.2
123.04409	0.3
123.08069	0.3
124.01569	0.3
124.05169	0.3
125.05972	2.2
127.03926	0.2
129.03416	0.2
131.04913	1.1
131.05838	0.2
132.02043	0.5
132.05669	0.3
133.02821	0.3
133.06425	0.2
134.03624	3.0
135.04407	0.9
135.08067	0.2
136.01596	0.8
136.05255	0.2
137.02321	0.1
137.05942	1.0
138.06703	0.3
139.00230	0.2
139.07527	0.7
145.02846	2.5
145.13081	0.1
146.03534	0.3
147.00749	0.2
147.04396	6.2
148.05180	0.8
149.05968	15.4
150.06422	0.2
151.03900	0.3
151.07558	0.7
152.01013	0.6
152.08284	0.1
153.01804	1.0
153.05421	0.5
153.09096	3.8
154.02603	0.9
154.06224	0.2
157.03993	0.8
159.04440	0.2
160.01485	0.2
161.05951	0.3
162.03107	2.3
163.03876	0.8
163.07562	0.8
164.04680	0.2
165.01820	0.4
165.05469	0.2
166.06230	0.5
166.99734	0.2
167.07008	1.1
169.01202	0.1
170.02084	0.5
170.07234	0.2
174.03136	0.3
175.03894	9.2
176.04584	0.3
177.05455	12.9
177.53403	0.1
178.02641	0.3
178.05768	0.2
179.07039	1.5
180.07748	0.4
181.01302	0.7
181.08580	6.7
182.02098	0.9
182.09305	0.5
189.01874	0.2
190.02589	2.4
191.03378	0.2
191.07010	1.7
192.04155	0.6
192.07793	0.5
195.06429	0.2
197.04410	1.9
197.05980	0.2
198.01613	0.8
198.06749	0.1
200.03210	0.2
205.04947	15.2
206.05362	0.3
207.06508	11.4
208.06853	0.2
209.08069	49.7
210.08606	1.0
223.05983	0.7
226.06233	0.4
236.04871	0.2
237.05492	0.2
242.05615	0.2
253.04936	1.6
254.05704	4.4
255.06386	0.3
257.04391	0.5
264.04242	0.2
265.04901	0.2
269.04401	1.3
270.05176	0.4
271.05981	11.9
272.06335	0.4
277.08777	0.1
281.04391	1.1
282.02774	0.1
282.05203	5.7
283.05969	2.5
285.03909	0.7
286.04779	0.7
299.05478	10.6
300.06256	15.5
301.06659	0.4
314.07733	0.3
315.08585	100.0
316.08945	2.8
322.08060	0.2
327.12189	0.2
351.10803	0.9
355.11789	0.5
365.10168	0.2
367.10410	0.6
369.11871	1.0
385.12613	0.4
397.12766	0.9
415.13788	0.7
435.10434	0.4
461.12201	0.4
611.14886	0.2
637.15558	0.2
673.66736	0.1
712.22235	0.1
801.63721	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	909.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87949	1.3
71.43131	1.4
72.81522	1.2
77.00888	1.9
79.05497	7.5
81.07034	1.9
89.06043	1.5
91.05474	2.3
93.07034	1.5
95.04953	1.4
95.08657	1.8
105.07045	1.7
117.84373	1.4
119.08517	1.7
124.03931	2.9
127.31956	1.1
127.76766	1.3
146.02122	3.6
152.89626	1.3
190.90390	1.7
226.94458	1.5
227.11293	3.1
245.12344	1.7
299.05539	2.1
307.06427	1.6
315.18066	6.2
333.19583	17.2
351.20178	1.8
385.79752	1.4
468.98849	1.4
476.20184	3.1
529.28101	1.3
575.97736	1.8
599.23590	100.0
600.23718	5.3
736.90723	1.5
747.34351	3.0
891.41815	1.7
909.37592	4.9
909.48883	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	910.282
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	2.7
76.09472	1.6
91.05462	4.5
95.04967	3.7
98.22668	3.3
103.05466	22.3
105.07019	1.9
115.05440	12.3
121.02846	3.1
123.04402	2.0
131.04926	89.1
138.01825	1.9
142.06528	8.0
149.02380	4.0
151.03902	8.2
154.05009	2.5
155.04889	4.5
165.05402	2.2
166.01337	1.8
168.02917	14.5
170.06017	5.0
178.01350	3.0
179.03435	2.4
184.07498	2.0
192.02977	2.3
196.07579	2.3
199.03886	4.9
210.05614	2.1
212.07117	9.6
214.08691	2.6
218.00912	3.2
224.07059	4.2
234.03889	2.7
236.06975	1.9
238.04938	5.2
239.06741	2.4
241.05025	4.8
252.06583	3.5
256.06036	8.1
258.07477	5.8
259.06064	3.4
268.06094	2.0
272.09204	11.1
277.08435	3.8
280.03000	3.5
280.06061	49.2
282.07523	3.5
286.03571	2.3
286.71951	2.0
290.08087	2.6
294.07416	2.8
296.09271	3.6
297.02518	2.8
298.07117	4.6
302.02908	6.4
302.07864	2.1
306.07602	1.9
310.10605	2.2
320.05756	3.0
320.09366	2.5
322.07104	7.7
325.02118	4.0
330.02423	5.0
330.07620	2.1
350.06470	4.0
364.07706	2.2
376.08051	2.3
384.12332	51.4
385.12677	4.5
401.09027	2.5
406.09134	6.7
408.10764	2.7
412.08035	2.5
426.13242	5.9
429.08838	2.8
434.08783	14.2
444.10678	11.9
452.11270	3.5
468.14545	2.4
472.10037	5.2
500.09634	8.1
500.16235	2.6
516.14246	3.1
538.07672	2.3
538.14978	36.2
544.13428	2.7
548.17084	6.3
571.14136	2.6
589.15576	8.7
603.17426	4.2
604.15991	100.0
605.17651	9.2
621.18500	26.0
622.17261	3.4
761.20905	3.3
842.23773	3.3
857.22461	3.6
875.24115	2.6
892.25519	3.8
910.28113	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	911.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.7
66.90110	0.2
67.05504	1.2
68.99805	0.2
69.03423	1.0
69.33685	0.2
69.37276	0.2
81.02956	0.4
81.03411	4.9
84.04428	0.2
85.02904	1.4
91.05474	2.3
93.03416	1.1
93.10744	0.2
95.04970	0.8
97.02890	0.8
99.04456	0.4
105.04499	0.2
108.02074	1.9
109.02870	1.7
110.29645	0.2
111.04443	2.3
119.04942	1.5
121.02882	0.7
121.03992	0.2
123.04398	0.4
125.05989	1.7
125.33549	0.2
127.03911	0.7
136.01559	0.5
141.05455	1.7
151.03902	90.4
151.04976	6.7
152.04250	1.1
167.07054	0.2
169.01317	15.7
169.04961	5.9
185.00833	0.7
188.52280	0.2
191.07094	0.2
209.07904	0.3
259.06146	0.2
271.06042	0.7
287.05478	100.0
288.05850	3.2
295.08102	6.8
313.09155	5.4
329.06482	0.7
395.07587	0.5
599.13928	11.9
600.14154	0.9
636.19476	0.2
902.39270	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	912.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32028	0.2
68.99791	0.3
69.03413	0.5
71.04635	0.3
71.04992	3.5
78.31183	0.2
79.05433	0.2
79.46091	0.2
81.03394	0.2
83.04974	0.5
85.02406	0.3
85.02899	4.3
89.03911	0.8
94.02918	0.4
95.01331	1.5
97.02906	1.1
107.04937	0.3
111.04437	0.4
112.03978	1.7
117.03379	1.7
119.04916	0.2
122.02355	0.3
123.00771	0.2
129.05469	1.0
135.04408	3.2
138.01814	0.4
140.03416	18.2
141.03746	0.2
145.02835	2.9
147.04347	0.2
147.06523	0.5
151.03885	0.4
152.03403	0.2
161.05899	0.2
163.03893	38.3
164.04263	0.6
166.01373	0.4
167.02090	0.3
168.02910	100.0
169.03267	1.2
178.01277	0.2
181.05003	1.1
185.00758	0.3
192.02904	0.6
194.04472	0.4
210.03799	0.3
240.15678	0.2
246.07658	0.7
260.05560	0.3
286.07047	0.2
288.08649	36.8
289.09106	1.1
307.08087	0.4
309.09625	0.7
325.09161	7.2
326.09900	0.2
330.09641	0.4
414.88141	0.2
416.13428	0.9
434.14420	2.5
469.97699	0.2
751.72772	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	912.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03436	0.6
69.03412	1.4
70.06583	1.3
81.03423	3.7
81.48576	0.5
85.02926	1.1
89.03912	7.5
91.05475	4.4
95.04976	0.8
99.04451	0.8
103.05445	1.2
105.03389	0.9
105.07080	0.7
107.04934	1.0
109.02874	0.7
117.03375	20.2
117.04207	1.0
119.04937	7.6
121.06460	0.8
122.03641	1.5
124.03947	0.8
131.04933	1.7
133.02847	10.5
133.06490	1.3
134.03656	1.0
135.04391	1.9
137.04941	1.0
137.05977	18.9
138.06355	0.5
145.02844	61.3
146.03185	2.4
147.04399	5.5
149.05959	11.8
150.06824	1.7
151.03888	1.2
151.07555	4.1
161.05968	4.4
162.06728	1.6
163.03909	0.7
163.07584	1.9
165.05457	2.1
167.08530	1.0
173.05974	1.2
175.03870	6.1
175.07571	1.6
177.05467	100.0
177.09007	2.4
178.05794	2.7
179.07071	3.4
186.05496	0.7
189.05420	0.9
189.09058	2.1
191.08560	1.0
195.06548	0.8
195.08168	1.0
195.10126	0.7
198.64388	0.5
201.05450	16.8
202.82251	0.6
203.07021	0.8
213.05464	1.2
219.06470	0.8
219.10176	1.7
223.07526	0.6
227.10667	1.2
231.06512	2.5
233.05980	1.7
234.06711	1.0
235.07541	0.7
237.09236	0.7
249.09109	0.9
250.06175	0.8
255.10294	1.0
262.06189	0.8
265.08551	2.7
277.08606	1.6
278.06036	0.7
279.10196	0.8
285.11246	1.5
287.12833	1.0
290.05939	0.8
293.08047	1.5
297.11267	1.4
299.12576	0.7
305.07999	2.4
307.09720	0.9
309.11053	2.9
311.12781	1.4
321.09717	4.2
323.12488	0.8
325.10739	12.3
325.14420	1.1
326.10864	0.8
331.15332	2.6
333.11337	0.7
337.10736	4.9
339.10727	3.9
341.13834	5.3
343.15436	1.6
355.11713	16.2
355.15689	1.2
356.12195	1.3
356.41055	0.6
365.13736	0.8
373.12750	3.3
383.14880	4.0
487.15900	2.8
499.16125	1.0
517.17047	2.6
535.18048	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	0.5
69.40147	2.1
71.05006	0.6
73.02913	4.3
73.06554	1.4
77.03918	0.8
78.99487	1.2
79.05487	7.9
87.04453	4.2
89.06024	10.7
90.87250	0.4
91.05473	14.6
91.06048	0.7
92.72093	0.4
93.07048	1.7
95.04955	4.1
103.05463	8.2
103.07584	1.9
105.04510	1.6
105.07022	100.0
106.07369	1.2
107.04946	2.8
113.00014	4.2
113.05939	0.4
115.05437	1.1
115.07576	0.7
116.06236	1.1
117.07005	2.4
117.09134	1.6
119.04930	1.2
119.08572	6.6
121.06499	10.8
126.85057	0.5
127.01560	38.1
128.06201	2.2
129.06978	4.6
131.07025	1.5
131.08559	9.7
132.05704	1.2
133.06467	0.5
133.08604	5.9
133.10127	1.5
135.07986	0.8
139.01534	14.8
144.53783	0.5
145.06488	1.5
147.08038	49.6
147.10107	1.9
148.08385	1.3
149.09607	10.1
153.03104	42.6
155.06044	0.9
157.10181	0.6
159.10185	0.6
161.11699	0.8
161.42957	0.5
163.11134	0.6
166.07898	0.5
173.09578	1.3
175.09689	0.8
175.11218	0.8
177.11197	1.9
179.08546	0.7
181.10120	2.0
183.04146	4.3
191.10583	1.0
193.12274	0.7
197.05725	19.6
207.11748	0.5
212.68159	0.5
214.58212	0.5
223.11156	1.8
225.12720	23.7
227.06886	2.2
241.08324	4.8
249.12793	4.2
251.14413	3.4
259.09442	0.7
267.13669	0.9
269.15405	1.2
271.09424	1.6
285.10947	1.7
295.16910	0.5
303.12244	0.6
311.16312	1.3
311.25769	0.6
313.17841	0.7
315.12015	1.7
318.47913	0.5
329.13394	0.9
347.14594	0.7
362.59375	0.5
373.21500	4.5
391.17212	0.5
583.40167	0.4
838.94012	0.5
895.45074	0.9
896.80707	0.6
912.47943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.6
68.70486	0.4
69.58896	2.3
71.04977	1.0
73.02930	3.6
73.06544	2.4
77.03922	0.9
78.99506	0.7
79.05490	7.6
81.03426	0.5
87.04461	4.8
89.06028	10.2
91.05480	14.6
93.07030	1.7
95.04945	4.8
98.22707	0.5
103.05460	8.4
103.07582	2.9
105.04516	2.1
105.07024	100.0
106.07341	1.5
107.04926	2.6
113.00005	4.8
115.05466	0.8
115.07563	1.2
116.06199	1.2
117.07014	2.0
117.09143	1.6
119.04942	0.7
119.08567	6.1
121.06498	11.9
127.01563	38.7
128.06210	1.9
129.07005	4.1
131.07047	1.2
131.08563	9.9
132.05716	1.6
133.06508	0.8
133.08594	7.1
133.10130	1.2
135.08080	0.9
139.01543	12.7
145.06497	1.5
147.08041	51.5
148.08372	1.1
149.09627	9.7
153.03110	45.3
159.10149	0.9
165.06967	0.9
173.09622	1.0
175.09653	0.7
177.11246	1.5
181.10153	1.7
183.04155	5.2
191.10695	0.8
191.12753	0.5
197.05743	18.0
207.11624	0.7
221.13585	0.7
223.11160	1.5
225.12737	22.4
226.13106	0.8
227.06786	2.2
227.23643	0.6
241.08376	4.1
249.12706	3.2
251.14377	2.8
267.13748	0.9
269.15463	1.8
271.09381	1.7
282.50522	0.7
285.11035	2.4
295.16864	0.5
303.12027	0.8
311.16415	0.8
315.11975	1.4
327.17514	1.0
329.18954	0.7
347.14676	0.9
359.14209	0.6
373.21515	5.1
391.17361	0.7
403.18011	0.6
791.39014	0.8
895.45813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.8
67.05492	1.0
68.99788	0.9
69.03425	0.8
69.32779	0.3
70.06585	0.8
70.78661	0.3
71.05018	0.3
71.42879	0.3
72.08187	0.4
73.02912	1.1
74.98797	0.3
79.05508	0.8
81.03432	0.3
81.07036	0.5
83.53156	0.3
85.02911	2.6
91.03951	1.0
91.05486	0.9
95.04942	0.5
95.08599	0.5
97.02890	1.6
97.41413	0.3
105.03368	0.5
107.04957	0.5
111.04465	0.5
119.04956	1.8
121.02859	21.1
127.03938	0.5
133.02902	0.3
133.06448	0.5
135.04453	0.3
137.02278	0.4
145.02864	1.1
147.04420	0.7
151.03896	2.2
158.18245	0.3
161.05968	0.8
163.03882	2.0
165.01807	0.4
167.03485	0.4
175.03972	0.5
177.05473	0.6
187.04037	0.3
195.02907	1.4
205.05042	0.5
213.05594	0.6
223.07472	0.7
227.07042	0.4
229.43108	0.3
237.09222	0.6
238.06119	0.4
239.07005	12.4
239.09378	0.6
240.07831	0.9
241.08612	0.8
251.07014	5.6
252.07732	1.6
253.08649	1.5
255.06490	1.0
263.06982	0.4
265.05124	1.2
265.08514	1.8
266.09418	0.4
267.06534	5.4
267.09860	0.4
267.10397	0.4
268.07169	0.5
269.08041	2.7
270.05273	0.5
277.08600	2.4
278.09451	0.4
279.06500	1.2
279.10107	1.0
280.07053	0.4
281.08072	1.4
283.05991	2.3
285.07413	0.4
287.05499	0.7
287.12888	0.3
289.08652	0.7
291.10178	1.1
293.08041	1.6
293.11472	0.4
295.06161	2.4
295.09338	0.6
296.06909	0.4
297.07520	0.8
303.10202	0.4
305.08118	1.0
307.09448	0.5
309.07642	0.9
310.08041	0.4
311.05621	0.7
321.07581	0.9
323.09082	0.8
335.16391	4.1
341.06259	0.4
345.14828	1.0
351.19635	0.6
361.14111	0.6
361.18115	0.6
363.15872	8.6
365.17569	1.7
371.16336	0.6
373.14297	0.9
375.15887	0.5
377.17599	1.1
379.15033	2.7
379.19250	1.3
380.15836	0.4
387.16223	0.4
389.13208	0.4
389.17685	1.9
391.15485	1.2
393.16974	0.8
405.16949	4.5
407.13882	5.7
407.18759	4.6
409.16431	1.0
415.15469	1.0
417.17007	2.6
419.14856	0.5
423.18127	1.9
425.15414	0.6
433.16483	8.4
435.18152	6.5
436.18591	0.6
443.15317	0.5
451.17517	11.9
452.18082	0.7
453.19290	1.9
461.15881	6.1
462.15521	0.4
469.18848	0.5
471.20303	1.1
479.17007	12.8
480.17438	0.5
497.18036	8.5
509.21738	0.6
515.19214	1.2
527.22772	10.1
541.98242	0.4
553.20630	1.0
571.21735	8.0
589.22748	100.0
590.23230	4.5
600.01459	0.4
623.46375	0.4
638.56030	0.4
751.28473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.1
67.05506	1.1
68.99776	0.6
69.03420	1.1
70.06593	0.6
70.58841	0.8
73.02914	1.2
79.05479	0.5
79.96940	0.4
81.07047	0.7
85.02900	2.2
86.09704	0.6
91.03954	1.0
91.05452	1.0
93.07031	0.6
95.04957	0.4
97.02873	1.9
105.03382	0.6
105.07001	0.5
119.04944	2.0
121.02853	26.0
127.03909	0.7
131.08600	0.5
135.04521	0.4
145.02827	0.8
147.04466	1.2
151.03906	3.6
153.54417	0.4
161.05981	0.4
163.03928	2.1
167.03381	0.5
177.16389	0.4
179.03503	0.4
189.05566	0.5
195.02943	1.5
205.04962	0.5
213.05475	0.6
222.06982	0.4
223.07584	0.9
227.07063	0.8
239.06999	13.4
241.08720	0.6
243.36165	0.4
251.06993	8.3
252.07832	1.7
253.08585	2.1
255.06610	1.2
259.06107	0.5
265.04953	0.9
265.08667	3.6
266.09299	0.6
267.06488	5.2
269.08054	2.6
276.08005	0.5
277.08618	2.2
278.09674	0.6
279.06577	1.3
279.10013	1.0
281.08072	2.0
283.06052	1.8
287.05463	0.9
289.08463	0.8
291.10156	1.1
293.08078	1.3
293.11639	0.7
295.05954	2.5
295.09122	0.6
297.07632	0.5
299.00082	0.4
299.05341	0.5
305.08002	1.1
307.06229	0.5
307.09531	0.7
309.07651	0.8
311.05646	0.6
321.07626	0.9
335.16333	3.3
337.10718	0.5
339.08612	0.6
351.19434	0.6
361.18073	0.6
363.15851	8.4
363.19962	0.7
365.17471	1.5
373.14346	0.7
375.16232	0.6
377.17548	1.1
379.14862	2.2
379.19153	1.4
387.15985	0.6
389.17590	2.6
391.15253	2.0
393.17044	1.6
405.17044	4.8
407.14703	4.6
407.19446	5.4
409.16562	1.0
415.15463	0.8
417.16943	1.4
423.18094	2.0
425.15909	1.3
433.16385	7.0
435.13245	0.5
435.18198	8.1
451.17496	11.7
452.17990	0.6
453.19077	1.8
461.16019	5.7
469.18796	1.0
471.20285	1.3
479.16940	13.1
480.17722	0.6
497.17999	9.4
515.19220	1.7
527.22742	10.3
545.24127	0.6
553.20441	1.1
571.21680	8.0
572.22150	0.6
589.22711	100.0
590.23071	4.1
751.27704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.2
69.14177	1.1
70.12731	0.1
73.02916	1.2
73.06548	1.9
77.30527	0.2
87.04457	100.0
88.04808	0.8
88.90991	0.2
89.06019	27.5
90.06369	0.3
93.89984	0.2
95.04980	0.2
97.49814	0.1
105.24329	0.2
107.07041	0.6
113.05970	0.6
115.07527	0.4
117.09123	2.0
127.01539	0.4
131.06097	0.3
131.07027	5.4
133.08589	18.4
134.08913	0.2
137.05933	0.2
149.07973	0.2
153.03041	0.5
159.10072	0.4
161.11642	0.6
175.09636	2.0
177.11208	6.5
193.10558	0.5
197.05501	0.2
219.12248	4.5
221.13748	0.8
239.14853	0.2
263.14630	0.5
265.16293	0.2
267.17715	0.2
283.17337	0.2
309.18765	0.3
327.19943	0.2
712.19708	0.2
766.68073	0.2
914.52539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	11.6
69.03391	1.5
69.07056	5.7
71.04967	1.7
71.08625	17.0
73.02908	3.9
73.06509	1.4
76.43828	0.6
78.00056	0.6
78.90324	0.6
79.05486	9.4
81.03409	54.3
81.07047	15.1
82.97543	0.7
83.04941	2.7
83.08608	17.0
85.02897	5.1
85.09708	0.8
85.10174	11.9
87.04458	8.0
89.05531	1.0
89.06019	10.8
91.03907	3.1
91.05470	11.0
92.30025	0.6
93.07033	5.9
95.04956	17.9
95.08595	14.4
97.02887	3.5
97.06474	0.9
97.10161	5.5
98.23500	1.9
99.11694	1.0
99.62225	0.8
103.05410	3.2
103.07545	1.5
105.07018	57.0
106.07361	6.2
107.04965	4.0
107.05550	0.8
107.08539	2.9
109.06471	1.8
109.09541	0.7
109.10147	6.3
111.04349	0.8
111.08068	4.1
111.10421	0.8
111.11679	0.9
112.99976	2.2
113.06002	1.0
115.05422	0.9
117.06941	1.5
117.09090	1.4
119.08572	7.4
121.04516	1.6
121.06438	2.8
121.10141	4.2
123.04350	1.9
123.11667	1.8
127.01554	9.0
127.03827	0.9
129.07010	6.3
131.07011	1.0
131.08531	6.7
133.06418	2.5
133.08615	4.9
133.10094	3.0
134.08955	1.1
137.09604	1.2
137.13220	1.8
139.01521	7.2
142.07735	1.7
142.20958	0.7
143.05835	0.9
145.04901	2.2
145.10104	1.0
147.04478	0.8
147.08005	3.0
147.11697	5.5
149.09589	3.5
153.02069	0.9
153.03114	11.0
154.03444	1.2
157.10127	6.3
163.05980	2.8
163.11200	1.5
165.07124	1.8
165.12726	1.2
175.11143	7.4
177.11176	2.1
177.12605	0.7
183.04163	2.3
193.12221	25.1
197.05707	4.3
209.09776	0.8
211.13286	1.5
223.13188	0.8
225.12654	2.1
235.13280	1.3
239.23640	1.9
249.14815	2.1
251.14276	3.5
253.15800	0.9
257.24683	2.1
259.13260	1.2
267.15872	100.0
268.16272	2.1
273.14749	1.0
301.14273	2.2
309.16968	3.1
313.27319	95.1
314.27600	2.6
319.15546	0.8
329.18878	3.0
477.27637	1.2
505.38806	78.8
506.39227	3.9
523.39948	1.6
547.39917	5.6
555.40704	0.9
565.41107	1.0
589.40570	1.2
601.41003	2.9
613.41486	1.4
631.41626	1.9
649.43390	1.7
793.39600	1.0
914.50226	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	915.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58900	0.7
69.59275	1.3
78.47163	0.3
98.22610	0.3
123.00764	0.5
159.08969	0.3
193.13040	0.3
199.02104	1.2
260.61411	0.4
271.06006	7.0
291.02530	0.5
292.03055	0.7
293.04193	54.7
294.04431	1.0
306.67087	0.3
313.05435	0.4
329.05002	1.9
469.07425	100.0
470.07745	3.6
515.36798	0.4
516.23730	0.3
563.08215	5.4
564.08698	0.4
592.45074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	0.9
69.98056	0.7
71.04991	1.0
71.94157	0.3
73.02914	3.0
73.06565	3.4
83.14864	0.2
85.56770	0.2
87.04465	23.3
89.06027	100.0
90.06354	0.5
91.07607	0.4
103.05402	0.3
107.07077	1.9
113.06036	1.5
115.07571	0.6
117.09114	2.6
130.08661	0.5
131.07031	6.9
133.08598	66.6
134.08879	0.5
135.10149	0.3
157.08582	0.9
159.10176	0.9
161.11736	0.8
175.09657	5.8
177.11211	23.1
179.12712	0.7
193.10651	0.3
201.11198	0.3
203.86308	0.3
219.12268	1.9
221.13812	3.6
223.15396	0.6
239.14816	0.6
263.14838	0.4
265.16501	1.1
267.17981	0.4
283.17487	1.0
309.18930	0.6
311.20615	0.3
327.19925	0.6
353.21844	0.6
383.10928	0.3
397.24078	0.4
402.15305	0.2
573.34863	0.4
622.61292	0.3
899.52783	0.9
916.56915	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	918.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48593	1.3
67.05503	3.8
69.03402	1.7
69.07063	2.5
69.92870	3.5
79.05451	2.1
80.28171	1.4
81.03371	3.3
81.07032	5.6
83.04957	1.7
90.41325	1.3
91.05465	4.7
93.07030	5.6
95.04967	2.2
95.08594	4.4
97.02884	3.9
105.07017	6.0
107.08563	5.5
109.06498	1.7
110.65025	1.4
112.46426	1.4
119.08561	9.1
121.06486	1.4
121.10147	4.7
124.03926	3.8
127.03857	1.9
129.07013	1.5
131.08548	4.6
133.10107	6.7
135.08072	2.0
143.08551	3.7
145.10109	9.3
147.04391	5.3
147.11665	5.3
149.13231	1.6
153.06938	1.9
155.08522	2.2
156.09329	2.8
157.10132	7.5
159.07925	1.9
159.11682	4.6
161.09578	2.9
169.10146	7.8
170.10915	2.3
171.11679	7.7
172.12421	2.0
173.09595	6.1
173.13251	4.7
175.11182	3.4
179.08640	1.8
181.10074	2.2
182.10921	2.0
183.11700	5.8
184.12462	1.6
185.09694	1.7
185.13272	4.3
187.11241	3.3
187.14810	7.6
189.12714	2.3
193.10104	7.2
194.10925	1.9
195.11658	2.8
196.12469	5.1
197.13220	7.1
199.14746	1.7
201.12711	3.4
203.10747	2.1
206.10948	1.9
207.11662	9.6
209.13203	3.7
211.11212	2.5
211.14778	17.9
213.12860	1.7
213.16367	1.9
215.14339	5.3
220.12488	3.9
221.13231	2.7
223.14857	1.9
225.12631	2.0
225.16380	4.9
227.14482	1.3
229.12236	1.7
229.15846	4.6
231.10222	3.3
233.15414	1.9
235.14871	10.8
249.16296	6.5
253.12154	4.6
253.15942	3.4
257.11707	1.6
266.12698	1.5
267.17398	2.7
277.15735	1.6
280.14554	1.6
285.14804	4.0
285.18460	3.8
295.16870	17.4
313.17929	38.7
314.66107	1.4
331.18945	13.6
351.18045	1.4
373.20053	100.0
374.20258	3.4
429.59494	1.5
457.18573	1.4
457.90063	1.4
464.78635	1.7
468.25906	42.3
469.26004	1.6
721.35840	2.0
919.37585	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	918.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.9
69.03435	1.8
69.07068	4.3
71.04975	1.5
71.08626	46.7
73.02913	9.8
73.06537	5.4
78.99498	3.1
79.05469	1.9
81.07018	1.0
85.10176	27.3
87.04460	42.8
89.06022	40.0
91.05473	21.1
93.07024	7.7
95.04961	3.7
95.08575	1.6
100.92454	1.0
103.05457	4.1
103.07573	6.4
104.06245	1.8
105.04501	1.5
105.07027	16.2
106.07358	1.7
107.04935	5.0
107.08577	4.6
109.10179	1.4
113.00006	11.7
113.05990	1.9
115.07565	3.7
117.07021	3.7
117.09138	4.4
118.07794	2.6
119.04926	3.0
119.08574	7.1
121.06495	21.8
121.10122	2.8
122.55536	1.0
123.08069	1.9
127.01556	88.4
127.14825	2.7
129.07002	1.2
131.07034	12.6
131.08577	2.6
132.09320	1.3
133.08594	24.6
133.10130	1.6
135.08037	5.7
135.11664	2.5
139.01540	28.8
145.10146	1.1
147.08051	12.2
147.10106	4.5
149.09570	5.4
149.13254	1.1
149.81778	1.1
150.06761	1.4
153.03099	100.0
159.10181	2.7
159.11664	1.0
161.09631	1.1
161.11703	1.6
163.11169	4.2
165.09082	6.9
167.10687	2.1
173.09685	1.1
175.09665	8.9
175.11089	1.9
177.11230	8.2
177.12656	1.6
183.04170	11.6
183.15036	1.2
189.12779	1.1
191.10634	3.3
193.12265	2.9
197.05724	48.5
201.95796	1.0
202.71362	0.9
209.11726	2.8
211.13271	4.2
219.12184	2.2
227.06743	5.8
235.13318	3.5
241.08350	17.1
245.18889	1.8
247.20549	23.2
255.15976	2.3
259.09460	2.2
261.22116	1.5
271.09338	6.3
273.22018	6.0
279.15869	1.3
285.10944	6.6
289.21701	1.6
289.25134	2.0
291.23154	37.5
303.12073	2.3
315.11743	4.6
317.24719	4.7
329.13519	1.8
333.24286	1.9
334.01331	1.2
335.25671	5.5
347.14835	2.3
359.14655	1.3
391.17172	1.9
403.17328	2.5
417.19034	1.2
449.73810	1.2
462.91333	1.2
479.22354	1.7
602.78186	1.1
901.51685	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	919.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15858	1.4
69.16263	1.6
95.39719	0.4
100.46790	0.5
103.05481	2.1
106.24047	0.5
113.21320	0.6
115.76540	0.5
131.04935	7.0
145.02831	0.7
169.01343	1.1
170.25032	0.5
177.05505	1.0
181.01038	1.0
183.74219	0.4
199.02098	4.3
238.18007	0.5
256.92374	0.5
273.07602	1.4
274.07919	0.7
275.07791	0.6
291.60941	0.4
295.05743	48.2
296.06009	1.6
331.06699	1.2
336.08633	0.7
385.07480	0.5
471.08960	100.0
472.09164	3.6
567.11279	3.9
585.12170	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	922.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.7
69.19019	1.7
69.19433	1.0
73.02911	0.6
73.06549	1.1
77.03918	0.8
79.05482	6.3
87.04463	1.7
89.06033	4.6
91.05474	3.2
95.04964	3.6
103.05457	5.9
103.07573	28.6
105.04519	1.1
105.07019	100.0
106.07346	1.2
117.06976	0.4
117.09113	1.3
119.08582	0.9
121.06508	2.7
129.06978	1.2
131.07039	0.5
131.08565	4.9
131.75655	0.4
133.08592	3.3
133.10152	0.6
138.67450	0.4
147.08119	2.3
147.10139	11.6
149.09586	0.9
161.11685	0.4
165.09128	0.7
177.11208	1.2
191.12773	0.6
211.11156	0.5
221.22437	0.4
225.12727	4.9
230.79819	0.4
251.14302	10.6
253.15970	2.3
267.13864	0.7
269.15320	1.3
293.93842	0.5
313.17932	0.7
327.17392	1.8
329.18933	6.6
355.20569	0.6
371.19815	0.5
373.21515	2.9
477.28116	2.2
542.90961	0.5
922.56958	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	922.567
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02906	0.6
73.06555	2.0
77.03901	0.9
78.75117	0.2
79.05490	6.0
81.07037	0.2
86.04881	0.2
87.03963	0.2
87.04465	2.5
89.06028	6.4
90.90331	0.1
91.05476	2.3
93.07018	0.3
95.04965	2.8
103.05469	4.8
103.07576	46.2
104.07918	0.3
105.04637	1.2
105.07023	100.0
106.07364	1.1
107.07082	0.2
109.06480	0.1
113.06009	0.3
117.06953	0.4
117.09124	2.5
119.04942	0.3
119.08574	0.7
121.06493	2.3
128.06274	0.2
129.07005	1.0
131.07082	1.3
131.08556	6.1
133.08598	6.4
133.10146	0.7
143.40883	0.2
145.06488	0.3
147.08093	2.5
147.10149	23.7
149.09616	0.8
161.11726	0.9
165.07074	0.3
165.09128	0.6
165.11296	0.3
166.07779	0.4
173.09669	0.5
175.09666	1.1
175.11143	0.3
177.11195	2.5
179.08585	0.3
181.10153	0.5
183.10062	0.2
188.98557	0.1
191.10959	0.4
191.12813	1.6
193.12177	0.2
209.11749	0.4
209.13550	0.3
211.13315	0.2
212.49644	0.1
219.12219	0.2
221.09680	0.1
221.13849	0.5
223.11182	1.4
223.15321	0.2
225.12726	7.1
227.12837	0.5
235.15163	0.5
239.14696	0.2
249.12637	0.8
251.14297	9.9
252.14781	0.4
253.15974	3.3
255.16039	0.3
265.16357	0.2
267.13724	0.8
267.17807	0.2
269.15347	2.9
271.15549	0.4
279.18185	0.2
283.17630	0.2
295.16931	0.8
297.18903	0.5
299.18478	0.3
311.16385	0.8
313.18054	1.7
315.17828	0.3
323.20834	0.2
327.17395	2.7
329.18970	14.8
330.19376	0.6
339.19794	0.4
353.19043	0.6
355.20349	0.5
357.20599	0.4
371.20227	1.0
373.21585	6.0
374.22174	0.3
399.22421	0.2
401.23480	0.2
417.24213	0.3
419.24548	0.2
431.23462	0.2
433.25400	0.2
461.26865	0.2
463.27301	0.2
477.27847	5.3
562.48456	0.2
697.41663	0.8
801.47729	0.5
922.56561	6.8
923.57306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48389	0.7
71.22858	1.4
72.17598	0.6
75.95790	0.8
76.98553	0.6
84.96021	2.7
98.97581	18.1
110.97557	6.5
112.99142	1.3
116.98611	9.0
124.99239	0.8
128.98589	6.0
131.00200	1.0
134.99622	3.7
143.00159	2.3
146.99670	3.1
158.99654	2.1
161.01204	1.8
170.99722	2.4
185.01245	0.9
189.00754	3.3
198.02126	0.9
201.00781	2.9
210.78035	0.8
219.01761	15.1
236.03529	2.4
237.02820	19.9
254.04649	13.6
255.03947	1.0
261.02774	0.8
269.07007	5.7
272.05609	6.8
274.48254	0.8
283.04907	2.1
287.08145	1.3
293.06827	5.4
305.06979	1.2
307.08563	0.9
310.07401	1.1
311.07983	11.4
323.08060	2.4
332.05756	2.2
335.08145	1.3
347.08072	4.1
365.09171	3.1
380.08093	1.1
392.38208	0.9
395.10086	8.9
398.09061	1.2
413.11230	17.3
436.12823	0.9
437.11365	11.6
455.12207	20.6
456.12256	0.9
478.14447	0.9
481.11017	100.0
482.11179	3.5
499.11102	0.9
565.30206	0.8
775.87085	1.0
823.67236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05038	6.5
68.99795	7.3
69.05800	3.5
70.06592	36.9
71.04973	3.4
72.05608	1.1
73.06418	1.3
73.82483	0.9
80.05004	3.7
91.05492	1.6
95.04967	1.1
95.06093	1.6
96.04491	4.8
103.05436	3.8
103.65419	0.8
105.07024	3.2
107.04904	0.9
108.04498	1.4
110.06083	1.0
112.08728	30.1
115.05486	1.1
120.04440	1.4
122.05970	1.6
123.04411	0.9
128.08151	2.3
130.09764	21.1
131.04933	11.2
134.05991	0.9
137.05931	0.9
139.00266	1.0
147.04370	1.2
148.03920	2.2
150.05496	2.4
151.03940	1.1
162.05502	1.9
165.01836	0.9
165.05450	1.2
166.99770	2.9
168.02911	1.3
169.01407	1.1
174.05490	1.3
175.03905	3.0
175.12611	0.9
176.03384	4.9
185.00819	15.6
190.04935	4.9
191.03383	1.3
194.04552	2.2
204.22742	0.8
207.02841	2.3
208.05971	1.0
210.08704	2.1
213.67641	0.8
218.04468	55.5
219.02879	2.6
219.04810	1.0
234.08664	0.9
236.01811	1.1
236.05482	3.4
243.03960	1.9
260.06638	2.8
271.05988	14.2
278.07715	47.1
280.09778	1.4
293.08005	3.8
296.08792	4.4
322.06927	1.0
322.10706	20.5
323.08990	1.2
340.11777	6.1
347.10263	0.9
364.12881	3.6
382.13953	100.0
383.14047	1.7
524.13342	3.2
550.11084	1.0
635.20972	3.1
653.21838	0.9
794.18109	2.8
801.20245	1.7
905.25861	1.2
924.26080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
84.51463	0.1
93.07025	0.1
105.07034	0.2
114.29417	0.1
116.97598	0.1
124.03950	0.4
125.36985	0.1
127.01578	0.2
127.03951	0.1
153.03081	0.1
187.14799	0.2
199.09544	0.1
227.14040	0.1
309.18277	0.4
353.17111	0.6
369.20352	0.2
413.19293	4.3
414.19595	0.2
473.21399	100.0
474.21771	3.2
923.40100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.4
68.99778	0.4
69.08433	0.3
69.22478	1.3
69.22891	0.6
70.06574	1.0
104.15268	0.3
108.50343	0.3
113.00138	0.3
113.48493	0.3
129.10239	0.3
129.89711	0.3
135.04410	1.2
139.27922	0.3
153.01807	3.3
161.02313	0.4
287.05475	100.0
288.05792	2.4
288.51660	0.3
463.08685	20.2
464.08984	0.7
472.23761	0.3
489.52557	0.4
579.33661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.0
66.01053	0.1
67.05502	1.1
68.99470	0.0
68.99799	0.1
69.03419	0.9
71.01368	0.1
71.04984	0.2
73.02898	0.1
76.22832	0.1
77.03915	0.3
80.02628	0.2
81.03412	4.0
84.02126	0.1
85.02900	1.1
89.95929	0.0
91.05460	0.4
92.73029	0.0
93.03396	1.2
95.01292	0.1
95.04961	1.1
97.02879	1.0
98.03671	0.0
98.23525	0.1
99.00801	0.2
99.04459	0.4
105.04517	0.3
108.02082	1.9
109.02868	1.7
110.03662	0.3
111.04437	2.1
112.00895	0.0
112.01565	0.3
118.04105	0.1
119.04936	0.4
121.02894	0.4
121.03926	0.3
123.04413	0.3
125.05978	1.7
127.00251	0.2
127.03888	0.6
136.01520	0.4
140.01021	0.5
141.05457	1.8
145.04938	0.1
151.03894	78.3
151.04942	6.3
152.04219	0.8
152.05324	0.1
153.01747	0.1
168.00533	3.9
169.01234	0.2
169.04942	5.9
183.02875	5.6
184.03076	0.1
186.01575	2.3
186.11145	0.0
193.04971	0.1
240.04184	0.1
253.07013	0.1
255.06279	0.1
257.04510	0.1
258.05231	1.2
259.06039	0.1
268.03647	0.6
269.04291	0.3
285.03876	0.7
286.04681	17.5
287.05063	0.3
295.08099	4.5
296.08466	0.1
300.06390	0.1
301.07025	100.0
302.07361	2.3
313.09134	4.2
314.09796	0.1
343.08237	0.1
445.10944	0.1
451.10291	0.1
463.12192	0.1
613.15442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09756	0.3
65.03913	1.0
67.05466	0.3
68.96802	0.2
69.03409	0.4
69.39762	1.6
71.46951	0.3
75.04459	0.8
78.04689	1.2
79.05466	0.6
81.03417	1.7
85.02889	1.0
89.03894	1.6
89.06020	0.4
91.05469	8.7
93.02962	0.3
93.03397	3.1
93.07017	1.1
95.04955	1.4
97.06522	0.5
98.23392	0.7
103.05463	2.1
105.03367	0.5
105.04506	0.4
106.04161	8.0
107.04943	0.7
108.25812	0.3
109.02873	0.6
116.09689	0.3
117.03378	2.0
118.04140	0.4
119.04929	7.7
121.06499	7.9
123.04452	0.8
123.08115	0.3
125.05982	2.5
131.04948	1.6
132.05627	0.3
133.06477	0.4
134.03615	4.1
135.04379	1.4
136.01598	0.3
136.05190	0.4
137.02287	0.7
137.05949	1.1
138.06715	0.3
139.07509	0.4
141.05466	0.3
145.02827	2.1
147.04399	6.0
148.05215	0.7
149.02383	0.3
149.05968	14.0
151.03844	2.0
151.07486	0.8
152.01009	0.8
153.01811	0.9
153.09109	3.3
154.02567	0.9
154.06258	0.3
157.03949	0.7
161.02309	0.4
162.03125	2.4
163.03844	0.9
163.07483	0.6
165.01831	0.4
165.05461	0.4
166.06197	0.3
167.07043	0.8
170.02054	0.7
175.03889	6.9
176.04590	0.5
177.05463	11.4
178.02600	0.8
179.07013	1.4
180.07739	0.4
181.01295	1.1
181.08583	6.3
182.02065	1.0
182.09308	0.4
190.02617	1.9
191.06956	1.5
192.04160	0.6
192.07695	0.6
197.04416	5.6
197.06172	0.4
198.01556	0.7
200.03105	0.4
205.04945	14.0
207.06514	9.5
209.08069	44.5
210.08537	1.2
223.06015	0.6
242.05653	0.7
269.04507	1.6
270.05215	11.5
271.05591	0.6
272.08911	0.4
273.04303	0.4
285.03897	0.9
286.04709	0.7
287.05466	6.8
296.87970	0.3
297.03900	1.3
298.04694	6.0
298.07904	0.4
298.26956	0.3
299.05307	1.5
301.01440	2.1
301.06845	1.7
302.04361	0.3
315.04944	5.8
316.05740	10.6
317.05899	0.4
331.08081	100.0
332.08392	2.7
351.10638	1.1
367.10547	0.5
369.11865	0.9
385.12723	0.4
397.12726	0.9
415.13766	0.6
426.92633	0.3
440.38620	0.3
499.86569	0.3
942.53552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60846	1.2
70.04068	100.0
71.03767	0.3
71.04410	0.4
78.03441	1.1
80.05004	1.2
81.03410	0.4
81.07035	0.4
83.04948	0.4
83.08611	0.7
91.05472	0.3
95.08608	0.5
96.04482	1.1
98.81278	0.3
103.01185	0.3
103.05441	0.3
105.07021	0.6
106.02887	3.3
110.14534	0.3
111.04449	0.4
115.05367	0.4
116.06224	0.5
117.07045	0.5
119.08588	0.9
124.03934	19.9
125.01526	5.7
127.03949	0.3
130.07764	0.4
131.08609	0.3
133.10155	0.5
139.03101	0.9
143.08569	0.6
145.10068	0.7
151.03064	2.9
157.10124	0.4
159.11674	0.7
165.04590	0.9
167.89180	0.3
169.10104	0.5
171.11586	0.3
173.09406	0.3
173.13217	0.4
187.14813	0.6
197.13281	0.3
203.14388	0.3
211.14922	0.3
221.12920	0.3
286.04471	0.3
287.05392	0.8
288.05783	0.6
295.16956	1.1
308.15186	82.2
309.15509	2.5
313.17981	1.3
356.63568	0.3
389.19540	0.6
418.19748	0.4
436.20862	0.4
479.16647	0.7
480.16867	0.8
559.24298	1.1
564.74579	0.3
619.16827	0.5
619.26398	8.3
620.26447	0.6
642.24133	0.6
752.10144	0.3
764.32709	1.1
926.51434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99804	0.5
69.70538	1.3
71.04980	0.7
77.67374	0.3
85.02894	0.8
86.63963	0.3
97.02928	0.4
98.23384	0.8
105.75104	0.4
107.04959	2.8
123.00770	1.3
135.04381	1.3
137.02281	0.5
141.01791	0.6
145.02850	0.4
151.00285	1.1
151.03865	0.4
163.03883	4.5
168.02942	0.8
169.01314	20.7
201.05440	0.5
257.04526	0.4
285.03876	0.8
303.04956	100.0
304.05310	3.2
305.05624	0.5
325.09128	0.7
455.09671	0.4
456.10229	0.5
457.09985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.6
69.03423	4.1
69.07068	0.8
73.02917	4.0
79.05500	2.3
81.03415	1.7
81.07059	2.7
85.02890	5.9
87.04467	0.8
91.03960	3.6
91.05478	1.2
93.07045	4.1
93.07532	0.6
95.08610	2.3
97.02888	6.0
99.04482	1.3
101.02395	1.2
105.07053	2.4
107.08585	1.4
109.02885	1.3
109.10201	1.2
119.08594	1.0
121.10164	2.1
127.03921	1.8
135.11649	0.7
145.10153	0.8
175.86905	0.7
185.04286	0.9
243.08386	1.5
269.13654	1.3
333.17569	1.1
347.09741	2.6
363.08835	0.7
365.10672	0.7
405.13660	8.0
443.19058	2.9
487.21591	2.1
519.29193	7.6
557.11096	0.7
605.24072	1.4
638.58746	0.7
649.26807	1.4
681.34546	7.3
721.41205	1.1
765.44855	1.1
777.42163	0.7
883.46106	1.0
909.46179	0.8
927.49103	100.0
928.49689	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	927.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.0
69.03435	3.1
69.07073	1.2
73.02918	3.1
79.05499	2.2
81.03429	2.8
81.07067	2.0
85.02924	3.4
91.03976	3.3
91.05489	1.6
93.07059	2.9
95.08608	1.8
97.02876	4.7
101.02390	1.8
105.07056	1.5
109.02846	0.8
120.28924	0.8
121.10165	1.2
127.03921	1.0
130.71913	0.9
131.08640	0.8
159.41193	0.8
166.40027	0.9
170.29477	0.8
185.04228	0.8
198.81084	0.7
243.08548	1.2
284.55170	0.9
347.09451	2.0
365.10712	1.4
405.13690	3.5
443.19177	3.0
487.21692	2.3
519.29382	6.4
584.38123	0.8
605.24097	2.3
649.27020	2.4
681.34393	7.3
927.49103	100.0
928.49719	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	928.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73701	0.2
69.33023	1.0
71.04967	0.3
73.02904	1.6
73.06540	0.9
77.03928	0.8
78.99496	0.8
79.05485	5.9
80.75916	0.2
87.04461	1.7
89.06023	5.1
89.96325	0.2
91.05469	3.6
93.07068	0.3
95.04959	3.3
103.04768	0.2
103.05454	5.7
103.07578	1.6
105.04628	1.3
105.07017	100.0
106.07351	1.2
107.04935	0.3
109.00552	0.3
113.00016	2.4
113.06015	0.3
115.05410	0.4
115.07561	0.4
116.06216	0.4
117.07006	0.6
117.09117	0.9
119.04959	0.2
119.08560	0.9
121.06487	2.2
127.01552	23.8
129.06996	1.3
131.07047	0.4
131.08554	6.5
133.08589	3.1
133.10110	0.6
135.08035	0.3
139.01529	7.5
143.08556	0.2
145.06485	0.4
147.08051	2.2
147.10168	0.7
149.09573	0.5
153.03098	23.5
154.03442	0.3
159.10204	0.3
165.07045	0.4
165.09045	0.4
166.07773	0.5
173.09625	0.7
175.09666	0.2
177.11186	1.0
179.08475	0.3
181.10109	0.8
183.04173	2.7
193.12169	0.3
197.05716	10.6
203.08453	0.2
207.11606	0.3
209.11613	0.3
209.13402	0.3
222.10252	0.2
223.11147	0.7
225.12721	4.7
227.06821	1.4
233.13347	0.3
235.14883	0.3
241.08336	2.8
249.12758	0.5
251.14281	13.0
252.14650	0.3
253.15948	2.7
255.16022	0.2
259.09402	0.5
267.13748	0.5
269.15356	0.9
271.09326	1.5
285.10800	1.4
293.60651	0.2
295.16867	0.6
303.11972	0.5
313.17963	0.5
315.11957	0.7
315.17651	0.2
327.17468	2.0
329.18958	9.5
330.19446	0.3
347.14563	0.5
353.18994	0.4
355.20395	0.3
359.14594	0.4
371.19992	0.4
373.16550	0.2
373.21503	2.9
391.17157	0.5
400.43784	0.2
401.22964	0.3
413.13660	0.2
435.19922	0.5
470.78360	0.2
477.27866	2.8
478.27945	0.2
600.58466	0.2
683.21826	0.3
703.34235	0.7
807.40149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45155	0.5
69.45518	1.2
71.04983	0.6
73.02907	1.7
73.06551	1.0
73.18758	0.3
77.03905	0.7
78.99493	0.7
79.05487	7.1
80.70669	0.3
87.04465	1.9
89.06028	4.4
90.25768	0.3
91.05474	3.2
95.04955	3.6
98.23466	0.6
102.23182	0.3
103.05466	5.8
103.07578	1.2
105.04514	1.3
105.07020	100.0
106.07355	1.2
113.00002	3.0
115.05404	0.5
115.07548	0.4
116.06165	0.3
117.07047	0.4
117.09110	0.8
119.08575	0.3
121.06497	2.5
127.01556	23.9
127.45256	0.4
129.06972	1.1
131.07051	0.6
131.08551	6.4
133.08609	2.9
133.10062	0.6
139.00522	0.6
139.01535	7.7
145.06506	0.5
145.10144	0.3
147.07994	2.1
147.10127	0.8
149.09615	0.6
153.03102	20.8
157.10139	0.3
165.07056	0.5
166.07841	0.3
173.09683	0.5
175.09679	0.7
175.11137	0.5
177.11200	0.9
179.08458	0.4
181.10103	0.4
183.04169	2.5
197.05728	12.0
221.13782	0.4
223.11206	0.8
225.12724	3.7
227.06760	1.3
227.12886	0.4
235.14999	0.4
241.08353	3.3
249.12747	0.7
251.14282	10.8
253.15907	2.8
267.13785	0.5
269.15411	0.8
271.09439	1.6
271.15179	0.4
277.15897	0.4
285.11038	1.8
295.17050	0.5
303.11987	0.4
311.16553	0.3
313.18024	0.8
315.12085	0.8
327.17358	2.4
329.13300	0.6
329.18958	9.8
347.14594	0.8
353.18958	0.6
355.20523	0.4
359.14548	0.3
371.20117	0.8
373.21552	2.6
391.17276	0.5
417.24249	0.4
477.27798	2.7
479.22418	0.3
644.64233	0.3
703.34039	0.9
807.40295	1.2
911.45630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53995	0.4
65.03938	0.8
67.05492	1.3
70.92664	0.6
70.93007	0.6
73.18227	0.4
74.24474	0.4
81.03403	0.9
83.04976	36.0
85.02897	71.3
87.04450	0.8
89.03909	6.3
91.05473	0.8
101.06012	0.6
109.02876	1.4
111.04436	21.8
117.03375	18.0
127.03917	3.4
129.05473	10.4
134.03606	1.8
135.04396	1.0
145.02837	46.5
146.03267	0.5
149.05983	5.6
151.07393	0.4
153.05437	3.4
171.06512	59.7
172.06818	0.7
177.05455	100.0
178.05779	1.5
186.05499	1.1
231.08643	4.9
303.08633	1.7
320.02032	0.5
325.29294	0.4
407.13425	4.3
515.15509	0.6
680.31555	0.4
745.22223	0.5
828.64233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.5
67.05502	1.7
69.03410	0.3
78.04758	0.2
81.03432	0.4
83.04977	41.2
85.02899	85.6
86.03228	0.4
87.04466	0.9
89.03914	4.7
91.05472	0.6
95.04942	0.3
101.06024	0.5
106.04119	0.4
109.02885	0.7
111.04439	26.2
112.04760	0.3
117.03374	14.1
127.03906	4.7
129.05470	11.7
131.04892	0.3
134.03606	1.1
135.04422	0.9
145.02838	41.2
146.03172	0.4
149.05977	4.8
151.07533	0.6
153.05441	4.1
158.06039	0.3
163.03935	0.4
171.06517	75.6
172.06847	0.8
177.05457	100.0
178.05800	0.9
186.05487	0.8
195.06554	0.9
205.68460	0.2
213.07596	0.3
231.08592	5.0
231.10678	0.4
259.09711	0.4
287.09109	0.5
303.08643	1.5
315.08578	0.3
321.09723	0.5
382.81400	0.2
407.13394	5.1
489.17776	0.3
500.36398	0.2
514.23218	0.2
515.15363	1.2
661.17706	0.3
745.22571	0.4
784.62787	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	930.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	1.7
70.74407	1.0
73.02918	6.1
73.06550	9.1
74.65529	1.0
78.80307	1.1
86.06017	1.0
87.04465	44.5
89.06030	100.0
103.07579	85.2
107.07082	3.6
111.80457	1.1
113.06004	4.5
115.07574	1.7
117.09125	9.2
120.38147	1.1
120.89012	1.2
121.02866	1.5
124.03970	3.6
130.08638	1.5
131.07028	9.6
133.08604	59.2
141.10313	1.2
147.04475	1.5
147.10161	34.9
161.11743	3.5
172.68695	1.2
175.09714	5.1
177.11206	20.6
184.86861	1.0
188.90384	1.1
191.12790	2.8
219.12355	1.8
221.13846	4.1
224.04176	4.9
226.41284	1.2
239.06532	10.5
240.07010	2.7
251.79208	1.3
281.22449	1.1
283.17508	2.1
303.04950	1.7
361.12604	2.4
362.12653	2.1
443.12958	1.7
444.13608	1.7
445.25861	1.2
588.21545	1.5
738.63562	1.3
930.57831	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	933.281
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73553	0.9
66.04736	1.0
68.98125	0.9
68.99782	1.1
69.03426	3.0
69.41766	0.8
79.05508	1.1
81.03431	0.9
81.07062	1.1
81.39376	0.8
81.82777	0.8
84.77538	0.8
91.05486	2.8
94.04195	3.7
95.04971	3.2
102.04708	0.9
103.05453	2.4
105.03391	9.2
105.07021	2.2
107.05010	1.8
109.02901	1.0
109.06531	1.0
115.05475	1.3
117.06989	1.1
119.04962	2.7
122.03634	9.0
128.06264	1.5
130.04184	2.8
131.04926	2.7
133.06454	2.1
135.04395	1.4
137.05968	100.0
143.04976	1.0
145.06506	3.0
146.03616	1.6
147.04366	5.5
149.05978	2.3
151.03899	8.0
151.04926	1.1
151.07570	1.0
155.04959	1.9
157.06496	1.2
158.03645	3.6
161.05963	9.6
162.06790	5.1
165.01831	1.5
171.04372	0.9
173.05994	8.2
174.06845	1.0
175.03932	2.5
177.05467	2.0
177.06937	1.5
178.07808	3.0
183.04430	1.9
185.05974	1.3
186.01752	1.0
186.03102	5.2
187.03831	1.3
187.07538	2.5
189.01825	4.4
189.05498	1.5
189.07013	3.5
191.03389	2.4
195.02907	1.3
199.04007	0.9
199.07541	5.4
200.04666	1.0
201.05455	54.3
202.05859	1.5
202.07660	1.9
203.03336	2.9
203.08539	3.0
205.06497	8.6
206.07262	8.2
207.02867	2.2
207.08035	1.4
211.04030	1.0
211.07561	1.1
213.05458	9.8
214.05983	1.2
215.03459	1.7
215.07019	2.7
217.06502	4.7
218.07281	4.1
218.86317	0.8
219.02878	1.6
219.08092	1.7
220.05205	1.6
221.06171	1.7
221.09734	1.5
222.06787	3.1
223.07570	2.8
225.05602	1.7
227.07109	1.9
228.85623	1.1
229.04884	1.4
231.06227	5.3
231.08418	1.9
233.05977	7.8
234.06734	27.0
235.07529	8.3
237.09149	3.8
239.07010	0.9
243.06409	6.8
244.05237	1.8
245.05949	8.2
246.06764	4.4
247.07518	4.0
248.08357	3.2
249.05669	1.9
249.09076	13.4
250.06169	5.2
251.06967	7.5
252.07939	1.2
255.06490	3.3
259.07523	4.3
261.05457	3.9
261.09174	2.6
262.06238	25.9
263.07056	7.9
263.10638	1.5
264.07794	3.4
265.08615	14.4
266.09299	3.5
267.03564	1.5
267.06491	14.3
268.07220	3.3
269.07898	1.8
272.04785	1.9
273.05322	8.9
274.06192	4.4
275.07031	3.5
276.07724	5.5
277.05466	1.6
277.08582	33.0
278.05780	11.0
278.09308	2.8
279.06506	29.4
279.09729	2.4
280.07260	3.6
281.08127	3.2
281.11948	1.2
282.08844	1.0
287.07071	5.1
288.07629	1.2
289.04926	2.7
289.08618	4.2
290.05722	40.2
291.06546	31.9
291.10114	4.3
292.07202	14.3
293.08038	22.4
294.08786	6.4
295.06158	1.4
295.09686	4.6
297.07602	29.0
297.11081	3.4
300.97461	0.9
301.08557	1.7
303.06555	4.5
303.09854	1.2
304.07181	4.3
305.08057	74.2
306.08588	5.4
307.06030	4.0
307.09671	17.4
308.10303	1.6
309.07553	8.7
309.11264	6.0
310.08157	1.2
317.08038	6.5
319.09595	8.7
320.06650	1.4
321.07587	36.6
321.11093	3.1
322.08301	7.9
325.10709	24.1
331.09683	3.3
333.07578	10.1
333.11206	1.4
335.09064	7.1
337.10672	73.0
338.11142	1.9
345.07492	8.6
347.09174	4.0
349.10657	8.8
351.08514	4.2
351.12341	1.6
353.10184	1.4
355.11783	11.7
357.07401	2.2
359.09158	2.2
361.10632	2.4
363.08646	15.8
363.12692	1.6
365.10110	3.1
367.11749	20.1
368.11871	1.2
369.07590	2.2
375.08621	5.3
379.11807	9.9
381.09650	3.7
387.08588	4.5
389.50876	1.0
391.11874	1.9
393.09601	2.8
399.10983	5.0
403.11584	1.0
405.09674	2.7
411.10614	1.0
417.10764	0.9
421.13034	1.9
423.10602	2.6
433.12579	1.3
441.11847	4.7
445.12479	1.2
451.13989	2.2
465.11682	3.9
469.14651	3.2
481.15302	1.9
487.15845	7.2
499.15936	1.8
503.11194	0.9
507.12878	2.0
517.17017	15.3
521.12280	1.1
525.13507	1.6
575.13190	1.1
615.16290	1.2
627.15503	1.5
633.17505	4.3
645.17609	11.0
657.17377	2.3
659.17590	1.3
663.18488	19.2
664.18250	1.4
669.17163	1.4
675.18097	3.4
687.18756	8.6
688.19061	1.1
693.19238	2.7
699.18585	3.2
711.18658	4.2
717.19489	8.8
723.18964	1.0
729.19513	6.9
741.19617	2.4
747.20221	4.6
753.22003	6.2
759.19745	2.4
765.10095	1.2
765.21753	13.8
777.21472	4.2
783.09308	1.3
783.22717	17.7
789.20966	1.3
795.22534	4.9
807.22699	11.1
819.23224	1.2
837.23206	8.4
849.23181	4.1
867.24249	3.3
885.25067	3.0
897.24908	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	933.28
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04692	1.7
69.41007	9.0
76.34592	1.5
84.01944	1.7
91.05493	3.1
94.04190	4.0
95.04942	3.1
98.22758	2.7
103.05447	1.9
105.03365	14.8
105.07024	3.7
109.06511	1.8
113.46539	1.6
122.03616	9.1
124.82591	1.6
125.05935	2.1
126.66283	1.9
127.03840	1.7
129.03336	2.1
130.04129	3.2
131.04922	2.2
137.05957	100.0
139.01413	1.6
145.06476	3.4
146.03642	2.2
147.04375	4.5
151.03888	6.1
154.07814	1.8
158.03662	3.7
161.05998	11.0
162.06761	5.7
173.05991	6.4
175.03993	2.2
177.01804	2.5
177.07027	1.9
178.07776	2.6
185.06009	1.8
186.03148	4.7
187.07512	1.9
189.01842	5.9
189.05443	3.1
189.06982	6.4
191.03299	2.7
199.07497	5.0
201.05438	57.9
202.07738	1.9
203.03279	2.1
203.06940	2.2
203.08592	2.9
205.06471	8.7
206.07248	8.5
207.02832	3.1
213.05432	11.2
215.06912	3.3
217.06496	7.3
218.07309	4.4
219.07886	2.0
221.09564	2.2
222.06703	3.0
223.07474	3.0
225.05508	2.4
227.06764	2.3
231.06430	6.1
233.05980	6.7
234.06731	28.6
235.07449	6.4
237.09077	5.2
243.06462	10.0
244.05112	1.8
245.06062	8.3
246.06702	4.3
247.07480	5.5
248.08345	4.0
249.05310	2.3
249.09071	12.5
250.06270	5.5
251.06995	10.5
255.06529	4.8
259.07404	4.8
261.05460	6.5
261.09192	3.2
262.06241	30.8
263.07010	11.4
263.10507	3.9
264.07690	2.8
265.05817	2.2
265.08569	15.3
266.09320	5.2
267.06433	15.3
268.07172	2.6
273.05292	8.7
274.06143	4.8
275.06866	5.4
276.07736	4.7
277.05548	2.6
277.08578	35.5
278.05722	9.7
278.08981	3.6
279.06476	30.8
279.09814	3.0
281.07880	3.8
287.07129	6.4
288.07516	2.5
289.04855	4.6
289.08353	3.7
290.05685	40.9
291.06516	33.1
291.09683	2.9
292.07281	15.4
293.08017	21.1
294.08719	8.5
295.09570	4.1
297.07608	27.3
297.11050	4.4
301.08499	2.4
303.06558	7.5
304.07263	6.1
305.08041	76.4
306.08710	6.0
307.05978	4.6
307.09561	20.3
309.07541	13.6
309.11212	4.9
310.08389	3.7
315.06390	2.1
317.08005	5.8
318.08749	2.1
319.06262	2.8
319.09491	9.7
321.07541	36.6
321.11087	1.7
322.08350	9.0
325.10675	31.0
333.07513	11.9
335.09012	9.4
337.10654	85.1
338.11075	3.5
345.07599	9.3
347.09137	5.2
349.10620	8.4
351.08490	4.7
355.11719	16.0
357.07721	2.6
359.09183	3.0
361.10480	2.4
363.08487	15.9
365.09735	2.4
367.11691	24.5
375.08508	8.2
379.11914	8.7
381.09375	4.2
387.08398	6.4
399.10382	5.3
405.09390	2.8
411.10818	2.3
421.12488	2.3
423.10590	5.0
433.12885	2.7
441.11606	5.9
465.11832	3.6
469.14798	3.6
487.15820	7.5
517.16956	16.4
551.12866	2.7
611.45349	2.4
633.17340	4.0
642.30481	2.1
645.17468	10.7
663.18689	22.3
675.17749	3.6
678.14270	2.1
687.18042	6.9
699.18262	3.6
711.17792	2.6
717.19928	11.3
729.19208	8.5
747.20374	9.7
753.21429	8.6
759.19989	2.7
765.21484	13.3
777.20465	4.0
783.22485	19.6
784.22083	2.6
795.21881	5.2
807.22418	11.6
813.22522	2.4
819.21973	2.8
837.23395	9.0
849.23419	3.4
867.23737	3.8
885.25037	2.7
897.24915	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	933.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.8
66.04708	0.6
69.52871	1.5
91.05469	3.0
94.04172	2.4
95.04951	1.3
98.22751	1.3
102.04687	1.4
103.05474	0.8
105.03387	4.2
105.07040	1.3
109.06493	0.7
110.03658	0.8
115.05406	1.0
117.07057	0.7
119.04951	1.6
122.03654	4.1
123.00668	0.6
125.06009	0.8
130.04146	2.0
131.04921	1.1
133.06447	0.8
137.05972	65.8
143.04962	1.2
145.06471	1.9
146.03596	1.5
147.04417	2.6
151.03926	4.2
151.04980	0.9
155.04869	0.7
157.06506	0.7
158.03638	2.2
161.05986	5.4
162.06750	2.3
163.03949	0.9
173.05962	7.3
175.03960	1.7
177.06889	1.2
178.07762	2.1
179.11292	0.7
184.05151	0.7
185.05954	0.6
186.03108	3.2
189.05551	0.8
189.06984	3.6
191.03378	0.8
194.07188	1.1
195.02940	0.6
199.03806	0.7
199.07564	1.7
201.05464	56.6
202.05846	1.0
202.07791	1.2
203.03355	1.3
203.08556	2.0
205.06480	6.6
206.07265	6.4
211.07501	0.8
213.05421	7.8
215.08627	0.8
217.06590	4.0
218.07175	3.1
219.08086	1.3
220.05241	1.9
221.06030	1.1
221.09628	1.1
222.06737	2.9
223.07532	2.2
227.07036	1.1
231.06177	3.8
231.08252	2.1
233.06006	5.9
234.06757	22.7
235.07561	6.5
236.08235	0.9
237.09097	2.3
239.07018	1.0
240.07928	0.8
243.06549	2.7
244.05257	1.6
245.05942	5.9
246.06754	3.1
247.07574	2.4
248.08316	2.3
249.05510	1.3
249.09105	8.4
250.06223	3.4
251.07121	4.6
252.07718	1.2
255.06496	0.8
259.07648	2.9
261.05542	3.4
261.09055	1.1
262.06250	26.4
263.07031	5.9
263.10037	0.9
264.07773	2.2
265.05847	0.9
265.08572	7.5
266.09344	1.9
267.06509	4.1
268.07309	2.3
271.07324	0.7
272.04608	1.6
273.05453	7.5
274.06335	3.5
275.07077	2.1
276.07782	3.8
277.05481	1.6
277.08578	25.4
278.05777	3.7
278.09164	1.6
279.06583	12.7
279.09961	2.0
280.07248	2.6
281.08124	1.6
287.07016	4.2
288.07880	1.2
289.04935	2.6
289.08401	1.1
290.05737	40.0
291.06503	10.6
291.09918	1.5
292.07330	8.3
293.08032	11.8
294.08862	4.9
295.06619	0.8
295.09555	3.2
297.07629	12.2
297.11038	1.4
303.06500	2.0
303.09714	0.8
304.07291	3.5
305.08066	61.2
306.08447	3.2
307.06012	2.9
307.09674	8.0
309.07553	9.1
309.11185	4.4
310.08096	0.8
317.08121	2.0
319.09576	6.6
321.07547	14.8
321.11011	0.8
322.08276	5.7
323.08813	0.7
325.10709	14.7
331.09647	1.1
333.07513	4.1
335.09201	2.5
337.10687	100.0
338.11090	2.3
339.08636	3.2
345.07574	2.6
347.09109	1.8
349.10678	3.7
351.08685	1.2
355.11731	18.6
357.07410	0.9
361.10834	0.7
363.08682	5.1
365.10464	0.8
367.11642	5.6
371.09100	0.7
375.08578	3.3
379.11737	2.3
381.09601	1.4
387.08456	3.5
393.09543	2.1
399.10754	6.9
405.09726	3.4
406.55273	0.7
411.10657	1.5
415.11508	0.7
417.11850	6.0
423.10727	3.9
433.12268	0.7
441.11832	10.7
457.10831	0.8
459.12817	1.2
465.11688	2.7
469.14835	0.7
475.11536	0.8
487.15903	1.5
495.12808	1.1
503.11328	1.8
507.12656	1.6
511.12393	0.7
517.17047	4.4
521.12317	1.5
525.13623	1.5
539.13385	3.8
543.14679	1.3
563.13641	0.8
623.15295	1.2
641.16284	2.4
645.17480	2.5
663.18677	3.9
675.18555	1.5
693.19434	1.3
747.20245	1.9
765.21930	3.8
777.21490	1.4
783.22736	7.1
795.21851	1.6
813.23926	3.6
867.25061	0.8
885.24023	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	934.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77580	0.9
71.04993	0.8
73.02920	3.5
73.06561	2.1
78.99516	0.5
87.04467	100.0
88.04816	0.6
89.06031	9.0
98.22678	0.4
103.07596	2.1
112.99998	2.5
113.06003	0.9
115.07581	1.0
117.09128	2.4
117.09844	0.3
121.02900	0.5
127.01566	22.0
131.07036	4.0
133.08615	4.9
136.06195	0.3
137.02197	0.2
138.82379	0.3
139.01547	8.2
145.02692	0.3
147.10210	1.2
153.03116	25.9
154.03455	0.3
159.10176	1.0
160.52699	0.2
161.11772	0.8
175.09682	1.1
177.11247	1.1
183.04201	2.9
197.05743	13.2
203.12834	0.3
219.12274	3.2
221.13890	0.4
227.06822	1.6
241.08360	3.0
259.09543	0.3
263.15036	0.4
271.09467	1.1
285.11102	1.2
303.12015	0.3
315.12091	1.0
329.13522	0.6
359.14767	0.3
651.40265	0.3
917.46014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40498	0.9
73.02917	0.9
73.06556	0.8
74.69244	0.2
77.03925	0.4
79.05485	3.0
81.07029	0.3
87.04462	100.0
88.04805	0.5
89.06025	5.3
91.05472	5.5
93.07044	0.8
95.04954	2.0
95.16017	0.2
103.05464	3.5
104.06215	0.3
105.04508	0.8
105.07022	47.2
106.07355	0.4
107.04968	1.2
113.05962	0.3
115.05471	0.4
116.06214	0.6
117.07010	1.0
117.09117	0.8
119.04924	0.8
119.08580	2.6
121.06496	5.7
121.07327	0.4
128.06197	0.8
129.07002	2.0
131.07042	3.7
131.08549	3.8
132.05688	0.4
133.06516	0.2
133.08589	3.5
133.10126	0.7
135.08076	0.2
145.06491	0.3
147.08037	21.5
149.09605	4.1
161.11775	0.3
163.07581	0.2
163.11032	0.3
165.06932	0.3
165.09067	0.2
166.07837	0.2
173.09555	0.4
175.09647	1.1
175.11087	0.3
177.11160	0.9
181.10106	0.8
191.10640	0.3
193.10669	0.3
193.12279	0.3
207.11711	0.3
208.08928	0.3
209.11580	0.2
213.67674	0.2
219.12277	3.8
221.09395	0.2
222.10199	0.2
223.11137	1.0
225.12726	10.4
227.12732	0.2
249.12755	1.7
250.33746	0.2
251.14322	1.6
253.14226	0.3
263.14832	0.8
269.15283	0.8
295.17001	0.2
311.16550	0.2
313.17960	0.6
314.27835	0.2
326.44766	0.2
327.17288	0.4
329.19022	0.4
343.55618	0.2
373.21619	3.2
440.70056	0.3
934.55371	3.9
935.52423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.2
69.32558	1.2
73.02891	0.9
73.06551	1.0
77.03922	0.6
79.05479	3.2
87.04458	100.0
87.16155	0.2
88.04801	0.6
89.06020	4.3
91.05468	4.7
92.31908	0.2
93.07028	0.7
95.04969	1.3
103.05450	2.5
105.04505	0.8
105.07019	42.8
106.07339	0.8
107.04948	1.0
115.05401	0.2
116.06222	0.3
117.06992	0.7
117.09109	1.5
119.04919	0.5
119.08549	2.2
120.85288	0.2
121.06498	5.4
128.06209	0.4
129.07007	1.3
129.88931	0.2
131.07045	3.9
131.08545	4.5
132.05702	0.3
133.06482	0.4
133.08592	2.7
133.10126	0.6
145.06468	0.4
147.08034	20.9
148.08354	0.3
149.09601	4.8
161.11678	0.4
163.07468	0.2
165.09076	0.5
166.07727	0.4
173.09656	0.3
175.09718	1.1
175.10933	0.2
177.11182	1.1
179.08536	0.3
181.10091	0.9
191.10608	0.3
193.12268	0.3
198.39421	0.2
208.08873	0.2
219.12236	3.9
223.11172	1.0
225.12715	12.4
226.13066	0.3
237.12607	0.3
249.12788	2.1
251.14392	1.2
255.15636	0.2
257.58093	0.2
260.78003	0.2
263.14822	0.6
267.13651	0.5
267.16376	0.2
269.15274	0.9
277.01447	0.2
295.16840	0.2
311.16269	0.3
313.17737	0.7
327.17334	0.5
329.18909	0.3
373.21619	2.5
445.25717	0.2
516.18170	0.2
569.07123	0.2
934.55243	3.5
935.53235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.6
69.68516	0.9
69.68904	0.7
83.04976	4.2
85.02902	8.6
89.03938	1.1
91.05470	5.4
91.05972	0.4
95.04992	0.9
111.04455	1.8
117.03362	2.6
119.04951	3.7
121.21629	0.3
129.05530	1.0
131.04941	0.5
136.05241	0.6
137.06030	0.7
145.02861	5.6
145.03912	0.4
145.40956	0.3
149.06052	0.7
151.07532	6.8
171.06557	0.8
173.05800	0.4
177.05472	7.2
177.06917	0.4
179.07147	0.4
193.04707	2.0
199.03752	0.4
201.05328	0.5
230.04723	0.3
253.07100	0.3
299.08914	0.6
317.10126	0.6
342.17123	0.3
370.00272	0.4
373.02359	0.4
389.05618	0.9
511.15952	0.9
537.88159	0.3
541.73737	0.4
594.36316	0.4
621.07129	0.4
629.16254	0.3
705.21698	1.2
714.64319	0.4
741.23218	0.5
925.18738	0.4
935.29346	100.0
936.29547	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	936.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	3.2
73.02915	9.4
73.06547	3.9
78.99500	2.7
87.04461	33.7
89.06023	100.0
95.04950	1.0
103.07574	7.0
107.07076	2.1
113.00000	7.5
113.05985	3.0
115.07587	3.8
117.09137	3.8
122.27622	0.5
127.01556	71.7
130.08653	0.8
131.07027	8.0
133.08592	59.5
139.01543	22.5
147.10150	4.5
152.38614	0.6
153.03102	77.6
159.10208	3.2
161.11697	1.2
169.02609	0.6
175.09644	4.4
177.09901	0.5
177.11200	17.8
183.04172	7.7
197.05721	39.5
201.11153	0.8
202.79248	0.5
203.12746	0.7
215.06830	0.7
219.12260	1.5
221.13882	2.5
227.06755	4.2
239.14848	0.8
241.08311	10.4
259.09412	1.1
271.09396	4.3
285.10995	4.1
303.11960	1.5
315.12057	3.3
329.13651	1.8
347.14609	1.1
359.14725	1.6
373.15942	0.7
391.17160	1.3
403.17395	1.2
424.59769	0.6
435.19742	0.7
447.19482	0.8
504.30161	0.6
513.20667	0.6
919.47760	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	936.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.3
67.05506	58.9
69.07063	16.1
69.71244	10.2
71.04969	3.8
73.02898	3.1
78.19422	3.2
79.05491	44.1
81.03414	77.8
81.07050	53.0
83.04976	5.6
83.08629	21.6
85.02885	7.2
88.52540	3.1
89.06055	5.4
91.03937	4.5
91.05482	37.2
93.07030	38.3
95.04949	27.3
95.08601	43.7
97.02859	3.9
97.06529	5.9
97.10159	5.4
103.03822	3.4
105.07017	33.7
107.04949	9.9
107.08588	26.9
109.06575	4.2
109.10159	26.2
111.04445	4.4
111.08055	7.7
117.07048	7.6
119.08573	24.4
121.06503	4.8
121.10123	24.4
125.09665	5.1
127.03908	4.3
129.06999	12.7
131.08551	17.4
133.10112	14.8
135.11728	16.8
137.13232	4.5
140.15289	3.1
145.04913	3.5
145.10126	11.3
147.11661	11.9
149.09645	6.1
149.13292	7.9
155.80426	3.0
157.10124	9.7
159.11722	8.7
161.13300	4.7
167.77637	3.2
173.13260	9.7
175.11166	7.9
175.20607	3.2
189.11237	6.3
193.12228	19.0
227.12804	6.4
243.21022	6.0
249.14824	4.1
261.22046	25.9
267.15875	88.5
299.54581	3.5
301.25235	7.2
309.16940	7.0
317.24551	5.5
335.25763	100.0
335.29565	6.8
375.18314	3.9
435.32346	4.6
453.33636	6.8
527.37311	87.9
545.38367	81.6
569.38019	10.3
611.39203	4.2
623.39661	3.9
671.40961	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	936.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	5.0
69.03411	0.9
69.07061	0.8
69.46669	1.7
71.04984	0.5
73.02905	2.1
73.06552	2.5
77.03925	1.3
79.05485	11.3
81.03414	6.2
81.07060	4.5
83.05010	0.6
83.08614	1.5
85.02905	0.7
87.03915	0.8
87.04455	12.2
89.06023	56.8
90.04803	0.4
91.03924	0.5
91.05471	14.3
93.07034	6.6
95.04967	6.4
95.08617	3.3
96.81275	0.4
97.02885	0.4
97.10126	0.5
98.23495	0.7
103.05454	9.2
105.04520	1.2
105.07019	100.0
106.07369	0.9
107.04939	3.0
107.07053	1.5
107.08595	2.6
109.02831	0.4
109.06521	0.5
109.10167	1.7
113.05976	0.7
115.05479	0.4
115.07554	0.8
116.06219	0.6
117.07027	2.8
117.09153	1.8
119.04931	1.5
119.08572	7.9
121.06495	13.6
121.10133	2.1
123.08088	0.5
123.11714	0.7
128.06189	2.3
129.06995	5.3
130.08630	0.7
131.04900	0.4
131.07068	3.7
131.08554	11.7
132.05707	1.1
133.08592	38.4
133.10045	3.2
134.08960	0.5
135.08067	1.4
135.10110	0.8
135.11691	1.1
143.08568	0.4
145.06485	1.6
145.10156	0.8
147.08031	50.6
147.11688	1.0
148.08369	0.6
149.09615	9.6
149.13240	0.5
157.10088	1.1
159.11710	0.7
161.11736	0.8
161.13226	0.4
163.06021	0.4
163.11194	0.6
165.07010	0.4
165.09158	0.8
166.07787	0.7
173.09612	1.1
173.13283	0.5
175.09634	2.8
175.11153	1.3
177.11209	13.3
177.12788	0.7
179.08492	0.6
179.12775	0.4
181.10110	2.1
191.10622	0.5
193.12184	1.9
207.07910	0.5
207.11627	0.7
219.12215	0.8
221.13779	2.0
223.11140	2.2
225.12720	24.5
226.13248	0.4
227.12779	1.0
235.15031	0.6
237.12686	0.6
243.21071	0.5
249.12700	4.8
251.14278	3.6
261.22153	2.3
261.93634	0.4
265.16440	0.6
267.13663	0.8
267.15985	7.3
269.15436	2.0
301.25058	0.6
311.16486	0.6
313.17871	1.9
327.17316	1.3
329.18948	0.8
335.25775	6.8
353.21909	0.5
373.21567	7.7
397.53577	0.4
453.33408	0.4
527.37317	6.5
545.38306	6.7
569.37927	0.9
919.52911	0.7
936.55542	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	936.567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40826	0.5
67.05496	2.1
69.07050	0.6
70.10370	1.1
70.10701	1.0
71.04978	0.7
71.62424	0.5
72.73959	0.4
73.02910	1.9
73.06544	2.7
73.23357	0.5
73.68685	0.5
77.03931	1.5
79.05486	8.8
81.03424	2.7
81.07050	2.0
87.04461	12.7
89.06024	58.7
91.05473	14.6
91.06047	0.8
91.07557	0.5
93.07039	3.9
95.04968	5.8
95.08587	1.1
96.78904	0.5
98.33005	0.5
103.05462	8.6
105.04510	1.6
105.07021	100.0
106.07373	1.1
107.04947	2.6
107.07095	1.1
107.08600	0.9
109.10136	0.5
113.06042	0.7
115.05441	0.6
116.06213	1.3
117.06983	3.3
117.09129	2.3
119.04929	1.6
119.08580	8.4
121.06499	14.0
121.10145	0.5
128.06207	1.8
129.06995	5.4
130.08640	0.6
131.07063	3.3
131.08556	10.5
132.05692	1.2
133.06483	1.7
133.08594	40.8
133.10178	2.0
134.96150	0.5
135.08023	0.8
145.06425	1.1
145.10129	0.6
147.08035	46.7
148.08333	0.6
149.09592	8.4
157.10147	0.6
159.10167	0.5
161.11743	0.8
165.09163	1.0
166.07666	0.5
173.09697	0.9
175.09712	2.9
177.11198	14.1
181.10120	1.8
191.10582	0.7
193.12254	1.2
208.08780	0.9
219.12230	0.9
221.13843	2.2
223.11160	2.0
225.12720	22.4
226.13040	0.9
227.12726	0.9
249.12733	3.1
251.14349	4.5
255.16010	0.6
265.16528	0.5
267.15878	3.1
269.15369	1.6
283.17355	0.7
297.18185	0.6
311.16412	1.0
313.17966	0.6
316.54306	0.6
329.18738	0.7
335.25958	3.2
373.21582	8.3
527.37341	2.4
545.38531	2.6
833.06891	0.6
936.55951	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	937.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.7
67.05500	0.4
68.99809	0.1
69.03431	1.0
69.47390	0.4
71.04974	0.1
77.03893	0.1
81.03415	1.4
85.02905	1.1
85.15044	0.1
87.04470	0.2
91.05479	0.3
93.03392	0.3
95.04966	0.2
97.02882	0.7
99.04456	0.2
108.02084	0.5
109.02872	0.8
111.04430	0.7
112.01563	0.1
119.04961	0.3
121.02882	0.3
121.04036	0.1
125.06017	0.5
127.00217	0.1
127.03900	0.5
140.01022	0.3
141.05495	0.7
145.04935	0.2
145.51291	0.1
151.03902	25.8
151.04993	2.0
152.04253	0.4
153.01846	0.1
168.00542	2.7
169.01244	0.1
169.04967	1.4
183.02881	5.2
186.01596	1.9
257.04523	0.1
258.05215	0.7
268.03650	0.5
269.04443	0.2
285.03870	0.5
286.04694	17.2
287.05048	0.5
295.08102	1.6
296.03128	0.2
299.05386	0.1
300.06308	0.1
301.07043	100.0
302.07382	3.2
311.05444	0.3
313.09195	1.5
343.08057	0.1
382.69089	0.1
423.28625	0.1
463.12332	16.1
464.12628	0.6
613.14886	0.4
749.86932	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	938.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.7
67.05504	0.6
69.03430	3.1
71.01359	0.4
71.04998	2.3
73.02917	3.4
78.89583	0.1
81.03413	3.9
83.04977	1.8
85.02903	6.6
87.04474	0.3
91.05477	0.3
93.03403	1.6
95.05001	0.9
97.02888	3.9
97.06508	0.2
99.04450	0.7
103.48328	0.1
105.04508	0.3
107.04949	0.2
108.02073	1.1
109.02876	2.3
110.03652	0.3
111.04437	4.2
113.05994	0.2
115.03907	1.1
119.04947	0.2
123.04417	0.3
125.05998	2.9
127.03890	1.9
129.05492	1.7
133.04965	0.5
136.01497	0.3
137.05951	0.2
139.03859	0.3
141.05476	1.1
145.04955	0.4
147.06514	0.9
151.03903	100.0
151.04939	5.1
152.04257	1.0
157.04797	0.2
161.06000	0.2
163.07484	0.3
165.09055	0.3
169.04956	14.3
170.05389	0.2
179.06927	0.2
181.08607	0.3
193.08656	0.4
211.06023	0.6
225.07568	0.7
235.09708	0.3
237.07556	0.3
241.07101	0.2
243.08609	0.3
253.07054	0.7
255.08801	0.2
259.09628	0.7
271.07953	0.2
273.09641	0.2
277.07281	1.3
277.10217	1.1
279.10706	0.4
283.08017	0.5
295.08115	6.4
297.09579	0.5
309.11893	0.2
313.09158	23.7
314.09473	0.6
351.42468	0.1
409.11343	0.3
423.12729	0.5
427.13593	0.2
441.14117	0.2
445.13907	0.7
459.14767	0.7
475.14508	0.3
543.33179	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	939.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.9
67.05495	0.7
69.03413	0.5
69.17973	0.2
69.68517	0.6
69.68866	0.3
81.03413	2.0
85.02895	0.5
91.05475	0.4
92.51693	0.2
93.03406	0.6
95.04964	0.8
97.02888	0.6
98.22700	0.2
107.04946	0.3
108.02097	1.4
109.02886	0.6
111.04414	1.2
118.04161	1.2
119.04929	0.4
125.05994	0.7
127.03918	0.3
131.04930	0.4
136.01564	0.9
137.05916	0.3
141.05464	0.9
145.02988	0.3
151.03902	55.9
151.04985	4.0
152.01039	0.9
152.04263	0.8
153.01834	0.7
154.02625	0.8
169.04970	2.6
170.02084	0.3
173.43210	0.2
182.02089	0.8
185.24628	0.2
192.72882	0.2
197.04419	1.7
198.01637	0.6
238.95781	0.2
242.05794	0.3
253.04944	1.3
254.05750	3.6
257.04355	0.2
269.04407	1.1
270.05173	0.6
271.05988	9.7
281.04425	0.8
282.05173	5.4
283.05954	1.9
285.03867	0.5
286.04730	0.8
295.08148	2.5
299.02100	0.5
299.05475	9.9
300.06256	14.2
301.06903	0.3
313.09091	2.7
315.08597	100.0
316.08966	3.4
367.12387	0.2
445.11115	0.6
465.11761	0.5
545.48413	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	939.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09824	3.1
70.16232	0.5
72.93193	0.4
98.23484	1.1
118.38879	0.5
124.03968	1.4
145.51122	0.5
195.35266	0.5
216.78580	0.7
269.96857	0.5
311.66406	0.5
489.18823	100.0
490.18958	4.5
529.55774	0.7
559.24658	0.6
581.22412	0.8
939.40057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	2.8
69.03438	2.5
69.07059	1.0
69.59402	3.0
70.78173	0.7
73.02910	3.6
79.05499	3.6
81.03434	2.1
81.07078	3.0
85.02916	4.9
87.04473	1.2
91.03958	2.4
91.05510	1.0
93.07050	1.6
95.08638	2.4
97.02882	4.8
99.04449	0.8
101.02386	1.7
105.07053	2.3
116.45054	0.7
127.03912	1.5
143.88560	0.7
145.04932	1.1
147.08119	1.0
155.01799	0.9
185.04288	0.7
193.12485	0.7
243.08374	0.8
247.46977	0.7
283.15289	3.1
287.14639	0.9
305.96915	0.8
347.09729	1.8
347.29996	0.7
405.13660	5.6
419.37143	0.8
501.23190	4.9
519.29272	5.3
663.28333	3.8
681.34540	7.8
779.44910	2.0
941.50806	100.0
942.51166	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	942.6352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	0.7
69.03412	0.9
69.07053	1.9
69.46736	2.1
71.04998	1.0
71.08624	32.1
73.02908	3.2
73.06548	4.9
74.34855	0.5
79.05485	1.6
81.07067	0.7
85.10172	18.2
87.04459	38.2
89.06022	100.0
90.04684	0.8
90.06356	0.7
91.05470	11.9
93.07034	5.5
95.04948	2.4
103.05484	2.4
105.04526	0.7
105.07016	4.2
107.04937	4.0
107.07047	2.1
107.08595	2.8
109.10174	0.6
113.06026	1.8
115.07570	1.1
117.06954	2.9
117.09122	3.9
118.07803	2.3
119.04924	2.6
119.08575	4.1
121.06496	12.9
121.10130	1.4
123.08073	1.1
123.51849	0.6
127.14828	1.8
129.99879	0.5
130.02974	0.5
130.08603	1.3
131.07028	14.8
131.08508	0.7
133.08592	68.9
134.08893	0.9
135.08049	6.1
135.11674	1.8
145.06503	0.8
145.10117	1.1
147.08043	7.7
149.09599	5.1
150.06757	1.8
159.10207	1.3
159.11618	0.6
161.09647	0.8
161.11668	0.8
163.07588	0.7
163.11159	3.8
165.09096	4.4
167.10706	1.3
173.09575	0.8
175.09634	11.3
175.11102	1.3
177.11205	25.7
177.12544	1.2
177.40044	0.6
179.10631	0.7
191.10617	4.0
193.10724	0.6
193.12280	1.8
209.11732	1.7
211.13295	2.7
212.00117	0.6
219.12291	3.1
221.13800	5.3
235.13297	2.5
239.14893	1.2
245.19167	0.6
247.20558	14.9
247.22951	1.1
255.15848	1.9
265.16245	0.5
273.22113	4.9
279.15900	1.3
283.17404	1.2
289.22031	0.6
289.25238	1.8
291.23145	28.9
299.18430	1.6
309.19150	1.1
317.24597	2.8
327.20004	0.9
333.24252	1.1
335.25800	4.3
353.21774	0.9
882.32587	0.7
925.60254	2.3
930.54364	0.8
942.64191	7.6
943.50983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	9.9
68.99785	1.0
69.03426	11.9
69.07056	12.2
69.08282	8.4
71.01324	2.3
73.02535	2.0
73.02914	23.1
74.55029	1.1
74.62488	1.1
75.15709	1.3
79.05479	8.1
81.03414	2.9
81.07050	28.0
81.07503	2.2
83.08621	6.4
85.02897	59.6
85.43134	1.1
87.04434	1.1
91.03947	3.7
91.05468	7.1
93.07028	20.0
95.01322	13.3
95.08598	51.5
97.02253	2.5
97.02882	42.7
97.10170	6.1
99.00826	1.6
99.04447	1.8
103.03947	2.8
105.07021	13.7
106.02926	1.8
107.08574	30.2
109.02867	3.1
109.10140	36.1
111.08022	1.4
111.11694	1.5
113.02361	1.5
115.03910	18.7
117.07007	1.6
119.08562	24.1
119.87947	1.1
121.10137	33.3
123.11697	19.1
124.03951	11.5
127.03904	20.0
127.04761	2.0
131.08559	5.4
133.04974	7.0
133.10110	21.1
135.11674	24.3
137.13234	12.7
141.01811	54.3
143.08510	1.0
145.04948	35.4
145.10080	12.1
147.04440	1.4
147.11673	14.6
149.13234	27.0
153.09113	2.5
157.10216	1.4
159.02878	13.4
159.11656	6.6
161.13261	10.8
163.06001	18.6
163.14812	8.4
167.10760	1.4
173.13289	7.2
175.14778	9.3
177.03909	3.8
177.16354	7.7
179.10675	1.4
179.18004	2.1
187.14812	5.0
189.16367	33.1
189.18004	2.4
191.17921	56.1
199.14871	1.5
201.16364	38.5
203.17938	48.5
205.19513	36.5
207.17374	1.3
213.16426	1.9
215.17941	19.3
217.07095	1.3
217.19492	10.3
219.17476	1.6
221.15463	1.4
227.18002	2.6
229.19673	2.4
231.21123	3.6
235.16907	8.8
241.19623	2.6
243.21031	4.5
245.22672	3.0
247.16910	22.9
249.18546	7.5
255.04988	2.3
255.21103	2.4
257.22656	2.0
259.08185	3.1
259.16867	1.2
261.18463	9.2
269.22760	1.9
273.06042	4.6
275.19971	1.6
285.06207	1.4
289.21600	2.6
291.07095	3.6
295.10251	6.0
309.08167	3.9
315.23306	1.2
321.08179	14.0
334.51529	1.4
339.09042	2.6
393.35095	14.6
411.35931	1.9
421.34708	1.3
435.88843	1.2
439.35666	100.0
440.36084	2.5
461.13327	1.2
635.25220	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	948.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.1
69.15395	0.9
69.67514	0.1
71.56982	0.1
73.02908	0.2
77.03934	0.5
79.05482	1.2
81.03415	1.7
85.02896	6.2
85.06542	0.7
91.05464	0.2
95.04962	2.4
97.02876	1.4
98.22716	0.4
99.04446	0.6
103.03930	0.4
105.04489	1.2
107.04944	100.0
108.05283	0.9
109.02870	3.4
109.68594	0.2
119.04916	0.7
121.02846	0.2
122.71588	0.1
127.03904	5.2
145.04942	1.3
145.08589	0.6
147.04414	0.6
148.04739	0.2
169.04944	1.4
187.06007	2.2
191.09109	0.4
205.07050	17.2
206.07329	0.3
207.06337	0.3
213.09085	1.0
297.13309	0.4
311.11130	0.5
349.11044	0.2
352.82446	0.2
359.13614	0.2
367.12265	1.0
377.14279	0.4
395.15384	0.4
501.99988	0.2
699.12207	0.2
947.61462	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	950.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16343	0.7
73.02905	0.3
73.06555	0.7
77.03912	0.7
79.05483	5.9
81.86855	0.1
84.19931	0.1
87.04458	100.0
88.04787	0.5
89.06020	3.1
91.05470	2.1
91.08101	0.1
93.07024	0.2
95.04963	3.5
103.05457	5.4
105.04585	1.7
105.07018	80.1
106.07352	0.9
107.04946	0.2
113.06042	0.1
115.05455	0.2
116.06226	0.2
117.07001	0.5
117.09109	0.7
119.04910	0.2
119.08552	0.4
121.06499	1.6
122.75175	0.1
124.55789	0.1
128.06210	0.2
129.06998	0.8
131.07021	3.6
131.08556	3.9
133.08588	2.6
133.10133	0.4
145.06473	0.3
147.08014	1.5
147.76443	0.1
149.08075	0.2
149.09608	0.5
159.10109	0.1
161.11745	0.2
165.06934	0.3
165.09096	0.3
166.07758	0.3
173.09619	0.3
175.09624	1.2
175.11011	0.1
177.11174	1.0
179.08430	0.2
181.10059	0.2
191.08626	0.1
191.10547	0.1
193.10623	0.2
193.12206	0.1
198.77586	0.1
203.08485	0.2
204.74013	0.1
205.10036	0.1
209.11546	0.2
209.13297	0.1
211.13289	0.1
218.10912	0.1
219.12242	4.3
221.09615	0.1
221.13704	0.2
222.10393	0.1
223.11093	0.7
225.12709	3.6
227.12669	0.2
235.14818	0.2
237.12866	0.2
249.12747	0.3
251.14282	6.7
252.14626	0.2
253.13788	0.2
253.15912	1.9
263.14819	0.8
267.13635	0.3
269.15344	1.3
281.15793	0.1
295.16843	0.4
298.45743	0.1
311.16333	0.4
313.17923	0.9
315.17923	0.1
327.17365	1.6
329.18961	6.6
330.19193	0.2
353.18988	0.2
355.20163	0.3
357.20587	0.2
371.19992	0.3
373.21536	2.7
401.23346	0.2
415.22665	0.1
417.24088	0.1
419.24026	0.1
431.22943	0.2
477.21661	0.1
477.27866	2.1
725.39966	0.3
901.95752	0.1
950.56311	2.7
951.56006	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	950.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02900	2.3
73.06553	2.7
79.05482	8.1
87.04469	3.8
89.06027	12.9
90.42397	0.9
91.05479	13.5
93.07041	2.1
95.04970	5.6
103.05457	8.4
103.07572	49.0
105.04514	3.1
105.07020	100.0
107.04939	2.9
113.05978	0.9
115.05442	1.0
117.07005	1.8
117.09122	4.3
119.04967	1.6
119.08567	6.8
121.06495	11.7
127.24194	0.8
128.06219	1.8
129.06967	5.0
131.08557	9.1
132.05681	1.5
133.06461	1.2
133.08588	7.6
133.10127	1.9
135.08084	0.9
139.70956	0.8
145.06479	1.1
147.08040	47.3
147.10100	18.8
147.11328	1.1
148.10397	0.9
149.09573	8.1
153.70934	0.9
165.09084	1.4
171.50790	0.8
173.09647	1.1
175.09673	1.2
176.36385	0.8
177.11238	2.6
181.10069	1.3
191.12704	1.7
197.23325	0.8
223.11177	2.6
225.12709	20.4
247.85696	0.9
249.12781	3.0
251.14349	2.2
269.15408	1.7
345.79614	0.8
373.21481	7.4
620.75269	1.0
950.58344	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	950.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.5
73.02930	1.2
73.06573	5.1
74.34466	0.8
75.77843	0.7
79.05486	8.3
82.71907	0.8
87.04470	4.8
89.06030	12.1
91.05474	15.9
93.07018	2.7
94.42661	0.7
95.04953	5.0
95.08605	1.2
98.22705	3.7
103.05459	9.4
103.07568	52.0
104.05779	0.8
105.04524	2.9
105.07018	100.0
107.04955	3.7
115.05438	0.9
116.06213	1.0
117.07027	2.1
117.09127	3.8
119.04983	1.8
119.08591	6.6
121.06489	11.8
121.10120	0.9
124.40102	0.7
128.06216	2.3
129.06992	4.6
131.07018	1.7
131.08554	9.8
132.05746	1.6
133.08585	8.8
133.10146	1.6
145.06483	1.9
147.08040	49.5
147.10103	18.8
149.09599	10.0
160.67174	0.9
161.11687	1.1
166.07887	1.0
173.09402	0.8
177.11182	2.8
181.10126	2.0
191.12704	1.0
203.33632	0.8
223.11189	1.9
225.12727	24.5
249.12781	3.2
251.14412	2.2
269.15399	2.5
327.17273	1.2
329.18811	0.9
373.21500	4.9
601.74658	1.0
769.99597	1.0
770.90912	0.9
950.58551	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	951.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38793	0.4
69.63136	1.0
70.06600	1.0
75.83408	0.3
78.01931	0.4
95.38049	0.3
100.30178	0.4
103.05499	0.7
112.08756	0.7
131.04915	1.8
211.02611	0.4
268.43469	0.4
311.99500	0.5
315.08548	2.1
330.00589	0.8
344.02142	2.1
345.03033	1.8
359.04440	2.3
362.03250	1.4
370.00089	0.7
373.02188	2.7
374.03238	1.5
377.05496	0.6
378.53836	0.4
388.01208	0.6
389.05472	5.0
391.03360	0.8
392.04190	0.7
407.06656	1.7
637.10059	4.4
655.10919	2.3
661.18378	0.8
662.17505	0.4
667.11414	1.8
678.13214	0.5
680.22467	0.7
685.13013	0.5
821.61304	0.4
951.26764	100.0
952.26666	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	951.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.2
77.03914	0.7
81.03400	1.8
85.02872	0.9
89.03912	7.4
91.05476	4.0
93.03343	0.6
95.04963	1.3
97.02876	1.3
98.22725	1.4
102.71606	0.5
103.05459	0.6
105.03370	3.4
109.02867	1.2
111.04445	0.6
117.03371	15.9
117.04195	1.2
118.04117	0.7
119.04948	5.1
121.02792	0.5
127.03893	1.4
129.03401	0.6
129.07082	0.5
130.49500	0.6
133.02846	14.4
134.03622	0.8
135.04442	1.2
137.05971	5.3
145.02838	35.1
147.04388	4.4
149.05981	7.0
150.06783	0.9
151.03897	19.2
151.04958	1.0
151.07487	0.9
159.04393	0.7
160.05205	0.8
161.05930	1.9
162.06813	0.8
165.05481	1.7
169.04918	0.8
173.05962	0.6
175.03885	3.9
175.07588	0.9
177.05463	39.1
178.05873	0.7
179.07002	1.3
182.02094	0.7
189.01801	0.9
191.03366	1.0
197.04459	1.6
201.05446	5.8
203.03447	0.5
205.06592	0.8
213.05493	0.7
215.07057	0.8
217.04840	0.6
219.06487	1.3
231.06543	0.8
233.05836	1.0
243.06424	3.0
249.09131	0.6
251.06927	0.9
253.04848	1.4
254.05687	3.4
261.05600	0.8
265.08551	0.9
267.06577	2.7
269.04401	0.9
271.06009	7.2
277.08582	0.9
278.05704	3.0
279.06476	6.1
281.08252	0.8
282.05209	5.5
283.05969	1.8
285.04172	0.9
291.06531	7.8
292.07230	1.8
293.08057	3.6
297.07687	4.3
298.04871	0.7
299.05457	7.5
300.06277	14.7
301.06827	1.3
303.06537	0.9
305.07953	2.9
307.05975	0.9
307.09592	1.1
309.07562	2.4
313.09247	1.1
315.08606	100.0
316.08978	3.5
317.08133	0.9
319.06064	1.1
319.09756	0.8
320.06653	0.8
321.07535	8.9
325.10678	4.8
333.07477	2.5
334.08185	0.7
335.09201	1.4
337.10724	1.6
345.07669	1.8
355.11746	2.3
359.09442	0.6
363.08472	1.9
367.11655	1.2
369.07620	0.7
375.08478	1.2
387.08612	1.3
388.32462	0.6
397.87405	0.6
405.10004	0.9
413.10110	0.6
423.10587	1.1
425.10059	0.8
443.11191	0.7
467.10886	1.2
471.10773	0.8
477.13931	13.1
487.15930	3.1
495.11041	0.8
513.11871	0.8
517.17102	0.7
525.12274	0.7
537.11688	0.7
581.14325	0.7
605.16193	0.9
617.15680	0.7
621.16003	1.4
633.16370	1.9
645.17480	1.5
663.18848	3.1
675.18542	1.2
687.18036	2.4
693.19214	0.8
699.17786	0.9
717.19080	1.8
729.19214	1.7
753.20911	2.1
765.22522	3.0
777.20935	0.8
783.22528	5.8
795.22333	1.2
807.22211	2.3
837.22046	1.3
867.24457	1.6
915.26123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95125	1.2
69.95477	0.7
76.28512	0.4
77.03933	0.6
78.04720	0.9
89.03912	17.8
91.05471	3.5
95.04967	1.1
98.22858	0.6
103.05483	0.9
105.03365	3.1
106.04165	0.9
107.04906	0.5
109.06512	0.7
115.40476	0.5
117.03374	38.9
119.04930	4.2
121.06450	0.6
121.65533	0.5
123.97582	0.4
124.05267	0.8
129.03441	0.5
129.04402	0.5
129.06999	0.6
131.04971	0.6
133.02856	4.7
134.03572	2.6
135.04399	2.1
137.05963	5.6
145.02840	81.3
146.03149	0.9
147.04398	4.7
149.05971	13.4
151.07539	1.6
151.13564	0.5
161.05959	2.4
162.03137	0.9
162.06743	1.3
163.03844	0.7
175.03874	2.1
177.05458	100.0
178.05814	1.3
178.62671	0.6
179.07030	4.5
180.07713	0.6
186.05429	0.9
189.01900	0.6
189.05420	0.8
191.03366	0.6
199.07423	0.6
201.05446	5.6
203.03340	0.6
217.04962	1.0
219.06465	1.1
231.06442	0.6
234.06696	0.5
243.06454	2.8
247.07262	0.5
252.07823	0.6
265.08411	1.4
267.06458	2.0
277.05005	0.6
277.08435	1.0
278.05637	1.5
279.06555	4.8
281.07947	1.1
291.06506	4.9
292.07245	2.1
293.07996	3.8
297.07608	5.4
303.06308	1.0
305.08063	3.4
306.08698	0.6
309.07520	5.8
311.05237	0.8
317.07913	1.4
319.05923	0.9
321.07535	9.4
323.08960	1.0
325.10608	4.5
331.09546	0.8
333.07431	2.9
335.09201	1.0
337.10712	2.4
339.08609	1.5
345.07507	1.4
347.09024	0.7
349.10623	1.6
351.08658	1.1
355.11719	4.2
357.07590	0.6
361.06689	0.8
363.08707	3.0
367.11545	1.9
369.07230	0.6
373.12631	1.5
375.08441	1.7
379.11484	0.9
381.09561	1.1
387.08688	2.8
393.09509	1.7
397.12744	0.8
399.10834	2.6
405.09436	2.9
407.08972	0.8
417.11493	1.8
423.10858	3.0
439.11069	0.8
441.11896	6.8
455.10989	0.9
459.12540	0.9
465.11142	1.5
467.11078	0.9
469.12738	1.0
471.10529	0.9
479.11230	0.7
483.11975	0.7
495.10770	1.0
507.12726	0.9
513.11993	0.8
535.17657	1.0
543.13660	0.5
567.12061	0.6
573.13672	0.8
597.13660	1.1
615.14240	1.8
617.17285	0.7
627.15979	0.7
633.16144	2.3
645.16907	1.7
657.16614	1.0
663.17804	1.5
664.97119	0.6
675.17590	1.6
693.18665	1.1
747.20044	1.7
753.19946	0.9
759.21307	0.6
765.22284	2.2
777.21002	1.3
783.23328	4.4
795.21521	1.1
813.22681	1.7
831.23236	0.6
867.23615	0.9
885.25470	0.8
903.24927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.2
69.15933	1.0
71.04987	0.2
73.02898	1.0
73.06554	1.1
77.03916	0.8
79.05487	6.5
79.05949	0.4
81.36802	0.1
87.04461	6.6
89.06023	33.9
90.06374	0.2
91.05470	3.2
91.07584	0.3
93.07044	0.5
95.04964	3.5
98.22655	0.3
103.05462	5.6
105.04614	1.2
105.07021	100.0
106.07355	0.8
107.07083	1.1
113.06026	0.4
115.05434	0.3
115.07574	0.2
116.06237	0.3
117.07010	0.6
117.09116	1.6
119.04951	0.3
119.08595	0.7
121.06503	2.7
128.06151	0.2
129.06992	1.4
130.08617	0.5
131.07065	2.3
131.08553	5.6
133.08594	25.8
134.08929	0.2
135.08054	0.2
135.10164	0.2
145.06534	0.3
147.08029	2.3
149.09607	0.8
155.08582	0.2
159.10118	0.2
161.11774	0.2
165.07002	0.3
165.09111	0.4
166.07776	0.4
173.09653	0.3
175.09668	2.0
175.11104	0.3
177.11206	9.7
178.11536	0.2
179.08569	0.3
181.10126	0.7
191.10706	0.3
193.12170	0.4
195.08084	0.2
206.99153	0.2
207.11714	0.2
209.11560	0.2
209.13344	0.3
219.12111	0.8
221.13853	1.8
223.11151	1.1
223.15395	0.2
223.43900	0.2
225.12712	5.5
227.12859	0.4
235.14986	0.3
237.13005	0.2
239.14803	0.3
249.12756	0.6
251.14308	9.8
253.15974	2.9
254.16394	0.2
255.15865	0.2
265.16483	0.4
267.13782	0.4
267.17404	0.3
269.15350	1.8
271.15225	0.3
279.15900	0.2
283.17444	0.6
295.16940	0.6
301.15863	0.2
309.18936	0.3
310.15576	0.2
311.16412	0.6
313.18048	1.5
315.17941	0.3
327.17297	2.3
327.20663	0.2
329.18951	10.8
330.19357	0.4
339.48251	0.2
353.18918	0.5
355.20392	0.6
357.20523	0.4
371.19818	0.8
373.21591	4.0
375.21588	0.3
401.23050	0.2
415.22519	0.2
417.24213	0.2
419.24042	0.4
437.33218	0.2
463.26981	0.3
477.27859	3.9
478.28357	0.2
507.29349	0.2
551.32941	0.2
727.41742	0.5
831.48309	0.5
935.54266	0.2
952.56183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45620	0.3
69.57128	1.1
73.02914	0.4
73.06544	1.0
77.03918	0.7
79.05486	5.9
87.04468	6.5
87.04938	0.2
89.06026	34.9
91.05470	2.8
91.07622	0.3
92.46883	0.3
95.04964	3.3
103.05462	6.2
105.04520	1.2
105.07022	100.0
106.07356	0.9
107.07072	0.8
117.07043	0.4
117.09170	0.8
119.08557	0.7
121.06495	3.5
129.06985	1.0
131.07057	1.8
131.08557	5.7
133.08595	21.1
133.10161	0.7
145.06499	0.5
147.08035	2.6
149.09587	0.7
161.11639	0.3
166.07813	0.3
173.09673	0.4
175.09732	1.6
175.10977	0.4
177.11208	7.9
181.10109	0.4
191.10669	0.4
209.13269	0.4
221.13841	1.4
225.12744	5.3
227.12872	0.3
235.14940	0.5
239.14980	0.3
251.14305	11.9
253.15898	2.6
265.16412	0.5
269.15356	1.2
283.17490	0.4
295.16830	0.7
311.16980	0.4
313.17877	0.9
315.18399	0.3
327.17429	1.2
329.18988	9.1
353.18695	0.4
355.20386	0.4
356.86691	0.4
371.20120	0.8
373.21646	3.4
463.27045	0.4
477.27750	3.9
641.58447	0.3
727.41992	0.8
952.58929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05891	1.7
67.05502	65.3
69.03423	3.0
69.07082	14.4
70.81771	1.9
72.20203	1.8
73.02921	4.0
79.05495	39.4
81.07055	63.9
83.08622	9.4
85.02892	14.6
85.06564	1.7
91.03949	9.8
91.05477	23.8
93.07037	46.8
95.04966	5.7
95.08604	56.0
97.02898	9.7
97.06555	2.3
97.10139	4.1
105.04520	3.4
105.07031	22.6
107.08590	28.1
109.06506	2.4
109.10154	27.3
111.08119	2.5
117.07020	7.5
119.08593	19.1
121.10155	25.7
123.11700	5.7
127.03927	3.0
131.08588	13.4
133.10130	15.7
133.17297	1.6
135.11696	13.7
137.13257	2.7
143.08507	2.5
145.04941	4.4
145.10129	10.6
147.11720	11.2
149.13254	12.1
157.10139	2.1
159.11707	8.2
161.13216	9.6
163.06012	7.2
163.14854	5.7
171.11736	2.9
173.13240	9.0
175.14812	4.4
187.14795	3.5
189.16347	1.8
231.21149	2.0
241.19635	4.3
243.21017	5.9
244.71208	2.2
259.20587	8.7
261.22156	23.9
315.26813	2.6
317.24734	4.1
333.24347	9.3
335.25790	100.0
336.26077	2.4
337.27301	14.1
521.43024	2.3
523.86023	1.8
551.13867	2.4
569.90686	2.3
595.47223	16.0
613.48370	22.8
634.06464	1.9
949.03119	2.1
959.45386	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	955.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.0
69.03419	0.8
69.25431	0.7
81.02958	0.2
81.03413	3.4
82.04174	0.8
85.02898	1.9
91.05491	0.4
93.03398	0.8
95.04967	1.0
97.02866	0.8
97.06525	0.6
99.04433	0.3
105.04501	0.4
108.02072	1.1
109.02883	1.4
110.03651	1.3
111.04450	1.4
112.01570	0.4
119.04955	0.3
121.02888	0.4
123.00842	0.2
123.04452	0.4
125.06001	1.2
126.59913	0.2
127.00223	0.2
127.03898	0.5
137.02402	0.2
138.03116	0.6
140.01015	0.3
140.04663	1.8
141.05457	0.8
142.02631	0.4
151.03899	37.9
151.04977	3.0
152.04239	0.5
153.05441	1.1
155.07011	0.6
168.00534	3.0
169.01379	0.2
169.04959	3.3
169.06410	0.2
171.06502	2.7
173.38014	0.1
181.04939	38.5
182.05327	0.5
183.02870	5.0
186.01584	2.4
190.17368	0.1
199.05980	1.3
243.23595	0.2
258.05212	0.9
268.03677	0.7
271.05902	0.3
285.03937	0.4
286.04697	16.1
287.05154	0.3
295.08102	2.5
299.05466	0.6
301.07037	100.0
302.07349	2.6
307.35880	0.2
313.09137	2.8
325.09180	1.8
329.10178	0.5
343.10217	1.2
409.05966	0.3
581.96210	0.2
608.61566	0.2
613.15509	1.0
927.32831	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	956.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36018	2.4
71.04982	1.3
73.02910	4.3
73.06538	1.8
77.03925	1.4
78.99497	1.9
79.05487	7.9
87.04456	5.8
89.06023	12.9
91.05476	15.7
93.07044	1.3
95.04964	5.5
103.05464	7.6
103.07572	3.0
105.04527	1.6
105.07022	100.0
106.07359	1.1
106.09830	0.4
107.04967	3.0
113.00005	5.1
113.05931	0.5
115.05465	1.3
115.07568	0.8
116.06224	0.8
117.06995	3.1
117.09117	2.3
119.04899	0.8
119.08571	6.7
121.06496	10.9
127.01557	39.6
128.06210	1.6
129.06993	4.5
131.07025	1.8
131.08562	11.1
132.05692	1.5
133.06503	0.6
133.08591	7.9
133.10146	1.1
135.08020	1.2
139.01541	14.0
145.06465	1.3
147.08038	49.0
147.10098	2.1
149.09596	10.3
153.03101	43.9
155.06046	0.7
157.10239	0.7
159.10139	1.0
161.11690	1.0
163.11224	0.8
165.06989	0.6
165.09128	0.7
166.07802	0.8
169.00316	0.5
173.09648	1.3
175.09583	1.0
177.11220	2.7
178.07774	0.4
179.08586	1.0
180.54959	0.4
181.10120	1.6
183.04178	5.0
191.10677	0.7
192.09245	0.5
197.05725	22.7
208.08888	0.9
221.09496	0.7
221.13579	0.5
223.11230	2.2
225.12727	26.4
226.13095	0.7
227.06825	2.5
227.72337	0.5
235.11145	0.5
237.12766	0.7
241.08363	6.5
249.12784	4.3
251.14339	3.6
259.09274	0.9
267.13800	0.6
269.15417	1.4
271.09402	3.4
277.15787	0.5
285.10907	2.5
295.16953	0.6
303.11899	1.1
311.16504	0.6
313.18063	1.1
315.12094	2.3
327.17291	0.7
329.13480	0.7
329.18893	0.5
347.14667	1.0
359.14645	1.0
373.21533	6.0
435.20007	0.6
523.25110	0.6
939.48755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04982	1.1
73.02913	3.3
73.06567	2.2
77.03927	1.2
78.99496	1.6
79.05487	8.1
87.04465	4.4
89.06028	12.8
91.05473	14.4
93.07024	1.7
95.04963	5.2
103.05463	8.3
103.07582	2.4
105.04531	1.3
105.07024	100.0
106.07356	0.9
107.04940	2.9
107.07051	0.4
113.00012	5.2
113.05995	0.7
115.05447	1.3
115.07581	1.3
116.06209	0.9
117.07018	2.6
117.09120	2.6
119.04932	1.4
119.08573	6.6
121.06497	9.4
127.01560	44.3
128.06229	2.1
129.07001	4.0
131.07014	1.6
131.08551	9.7
132.05724	1.9
133.06471	0.9
133.08595	8.1
133.09653	0.5
133.10129	1.0
135.08029	0.8
139.01547	14.6
145.06474	1.4
147.08038	47.0
147.10089	1.4
148.19940	0.4
149.09605	9.4
153.03105	43.5
154.03528	0.4
159.10156	0.8
161.11742	0.5
166.07765	1.0
173.09633	1.2
175.09642	1.2
175.11143	0.6
177.11240	2.3
179.08557	0.7
181.10112	2.8
183.04134	4.4
191.10663	0.5
193.12161	0.7
197.05727	19.8
208.08829	0.5
222.10449	0.5
223.11111	1.9
225.12723	22.7
227.06839	2.3
237.12663	0.5
241.08344	5.8
249.12717	2.8
251.14314	3.4
255.15746	0.4
259.09488	0.7
267.13721	0.9
269.15298	1.1
271.09290	2.1
285.10989	2.4
295.16998	0.5
303.11914	0.6
311.16272	0.5
313.18066	0.7
315.11935	1.4
327.17459	0.8
329.13577	0.8
329.18936	0.8
347.14474	0.6
359.14502	0.9
373.21582	4.8
399.23364	0.4
415.22607	0.4
435.19879	0.5
447.19809	0.4
483.86346	0.4
939.48206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04581	0.2
67.90293	0.2
69.25832	1.0
72.60335	0.2
73.02911	0.9
73.06563	0.7
81.07069	0.3
87.04464	100.0
88.04790	0.4
89.06025	3.3
98.23507	0.2
115.07594	0.3
117.09129	1.3
120.73820	0.2
121.02865	0.3
131.07025	3.6
133.08603	1.8
136.06157	0.3
147.04408	0.3
149.71286	0.2
159.10184	0.2
161.11739	0.3
175.09689	0.9
177.11255	0.6
219.12260	4.7
263.14938	0.6
265.24985	0.2
405.06094	0.2
956.55481	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	958.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	0.3
69.23816	0.7
71.04992	0.7
73.02906	1.8
73.06549	2.1
85.02914	0.2
87.04462	100.0
88.04815	0.5
89.06023	27.8
90.06382	0.2
98.22765	0.3
107.07065	0.6
108.33842	0.2
113.05999	0.9
115.07565	0.4
117.09115	2.0
121.02874	0.2
127.01563	1.2
130.08632	0.2
131.07024	4.5
133.08595	16.9
139.01520	0.5
153.03108	1.2
157.00972	0.2
157.08566	0.3
159.10120	0.3
161.11662	0.7
175.09694	1.9
177.11206	5.9
183.04138	0.2
193.10687	0.2
197.05653	0.4
198.06047	0.2
219.12271	4.1
221.13803	1.2
239.14890	0.2
241.08296	0.2
263.14706	0.5
283.17343	0.3
283.73227	0.2
287.05350	0.4
327.19730	0.2
413.06271	0.2
891.75037	0.2
958.57898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	0.2
67.91828	0.2
69.03422	0.7
69.08684	1.4
71.04995	0.9
73.02909	3.0
73.06548	3.3
81.03426	0.3
81.99064	0.2
87.04459	26.0
87.09097	0.2
89.06020	100.0
89.50134	0.2
90.06331	0.4
91.05488	0.3
91.07578	0.4
95.04961	0.8
98.23488	0.3
107.07054	2.8
109.02869	0.2
113.06005	2.1
115.07561	0.9
117.09115	2.9
119.04954	0.4
119.69050	0.2
121.02829	0.3
130.08580	0.3
130.47649	0.2
131.07027	6.8
133.08592	62.1
134.08907	0.3
135.10187	0.5
137.05930	1.0
137.92628	0.2
147.04388	0.6
151.03925	0.5
151.09644	0.3
157.08560	0.6
159.08942	0.2
159.10083	1.0
160.13585	0.2
161.11719	1.0
167.07040	0.5
175.09639	4.7
175.11111	0.4
177.05437	0.4
177.11200	22.8
179.12755	0.2
191.07071	0.4
193.10675	0.3
201.11156	0.5
205.01256	0.2
219.12216	1.9
221.13799	3.3
223.15395	0.6
237.13220	0.2
239.14940	0.6
261.92874	0.2
263.14850	0.3
265.16528	0.9
267.18076	0.4
283.17548	1.0
309.18988	0.7
311.20969	0.2
317.10217	0.3
327.20090	0.6
337.10562	0.3
343.11664	0.2
353.21689	0.5
357.13284	0.2
369.13098	0.3
387.14355	0.4
397.24255	0.6
399.25516	0.2
409.14917	0.2
441.26910	0.2
555.22186	0.5
565.20636	0.2
820.78174	0.2
943.56500	1.0
960.60223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	4.4
69.03425	18.0
69.07070	1.2
69.59459	1.9
73.51032	0.5
75.16843	0.5
78.03435	1.1
79.05492	3.6
80.05010	1.9
81.03415	9.2
81.07046	4.3
83.04974	15.4
83.08665	0.4
85.06553	0.6
91.05468	8.2
93.07043	4.5
95.04976	4.4
95.08621	3.2
96.04487	1.1
97.06506	0.8
103.05465	1.3
105.07024	9.5
106.02879	2.8
107.04954	1.3
107.08588	4.4
109.02876	0.7
109.06504	3.8
109.10165	1.0
111.04434	35.0
111.08075	0.7
113.06001	1.1
115.05485	1.7
116.06197	0.8
117.07016	9.5
119.08576	9.0
121.06496	2.2
121.10142	2.3
123.08046	1.1
124.03942	46.3
128.06229	1.7
129.06972	5.1
130.07790	1.1
131.04929	0.8
131.08556	22.8
133.06488	2.0
133.10110	4.4
135.08038	2.1
135.11754	0.7
137.05984	0.6
141.06969	2.5
142.07813	2.7
142.08743	0.5
143.08536	8.4
144.09319	1.3
145.06459	2.4
145.10120	13.8
147.08041	2.7
147.11676	2.0
149.09616	1.5
149.13225	1.0
153.07008	1.7
155.08524	6.1
156.09341	2.9
157.06456	0.7
157.10135	8.1
158.10916	2.1
159.08086	3.1
159.11681	7.6
161.09633	2.1
161.13278	1.0
163.11159	1.0
163.14824	0.9
165.06993	2.1
165.09077	1.5
166.07784	1.2
167.08521	1.8
168.09303	3.1
169.10115	4.3
171.08064	1.5
171.11685	8.0
173.09666	2.6
173.13245	41.8
175.11134	2.6
175.14854	0.7
176.99417	0.5
177.09142	1.1
179.08546	2.2
180.09380	1.0
181.10104	3.7
182.10895	1.6
183.08028	1.8
183.11656	8.7
185.09619	1.6
185.13248	2.7
187.11165	1.6
189.12761	5.6
191.10631	3.7
191.14268	3.3
192.09352	1.0
192.78731	0.5
193.10185	1.8
194.10913	1.0
195.11679	3.7
196.12381	0.8
197.09590	0.8
197.13245	2.3
199.11203	1.5
201.12711	10.9
202.13551	0.5
203.14348	1.0
205.10120	1.4
206.10832	1.1
207.11708	1.7
209.09515	1.1
209.13214	1.3
211.11122	1.3
211.14694	0.7
213.12732	1.2
215.14261	0.6
217.10147	1.1
217.12146	0.7
219.11775	1.0
219.13768	12.9
219.15785	1.1
221.09657	0.6
221.13263	2.2
223.11186	1.6
224.16150	0.5
225.12663	1.8
229.12202	1.7
232.12477	1.4
237.12656	1.0
237.16476	1.5
239.14337	0.8
241.12273	1.3
243.13597	1.0
247.13046	1.4
247.15102	1.0
249.12779	0.7
250.13416	0.6
253.15979	0.6
255.13841	0.7
255.17615	0.8
263.14398	0.6
265.15921	3.4
267.13721	0.6
273.14948	0.9
275.14282	0.7
283.17038	3.4
293.15118	1.2
311.16367	6.3
329.17456	7.2
347.18518	3.3
371.18689	0.6
389.19540	100.0
390.19833	1.9
434.19299	0.9
452.20657	2.0
458.80136	0.7
512.22766	13.8
513.22693	0.7
677.24457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01857	1.0
67.05502	7.9
67.05827	0.9
68.99799	1.4
69.07063	2.0
70.04156	1.6
77.03908	0.5
79.05492	8.5
79.60663	0.6
81.03393	0.7
81.07047	6.5
83.08598	0.6
86.87198	0.6
91.05477	9.8
93.07037	7.7
95.04948	2.5
95.08068	0.5
95.08574	2.7
95.76322	0.5
98.11160	0.4
103.05395	0.8
105.04481	0.8
105.07025	6.1
107.01317	0.5
107.04926	1.0
107.08593	3.2
109.10183	0.8
111.04383	0.8
115.05349	0.6
117.04835	4.4
117.07013	2.0
119.04927	5.4
119.08591	3.6
121.02856	26.6
121.10152	2.2
124.03951	0.7
129.06999	1.2
131.04944	1.0
131.08572	1.9
133.06427	0.8
133.10143	2.1
135.04359	0.5
135.11690	1.1
137.02313	1.0
139.00166	0.6
141.01828	1.4
143.08572	1.0
145.02826	3.4
145.06419	1.0
145.10159	0.7
147.04413	1.7
147.11674	1.6
149.02278	3.0
151.03938	1.9
157.01334	1.2
157.06529	0.6
159.11743	0.8
161.13260	1.0
163.03903	3.6
163.11163	1.3
165.05481	1.3
167.03383	5.9
169.04999	1.4
169.06525	0.6
171.11696	0.8
173.05978	1.1
175.03957	1.6
177.01770	0.6
177.05481	1.4
181.04965	1.1
187.03824	0.6
189.05376	0.8
197.05975	1.5
213.05467	1.1
215.07060	0.9
227.07039	2.2
229.04997	3.6
231.06581	0.9
239.07060	3.4
241.04935	2.7
241.08611	1.0
241.19456	1.7
243.06500	1.8
247.05949	0.9
251.07059	1.9
252.07924	0.7
253.05119	0.6
255.06506	21.7
257.04514	2.3
259.20618	2.1
261.09012	0.6
265.04999	1.4
265.08627	2.9
267.06497	63.1
268.06979	2.0
269.08054	7.5
269.10913	0.8
271.05988	1.3
275.05463	1.6
276.07806	0.8
277.08569	5.0
279.06818	0.7
279.10251	1.6
281.08005	4.6
282.08713	0.8
283.05988	3.5
289.08588	1.6
291.06662	0.9
291.10199	1.6
292.07394	0.6
293.08078	7.7
293.11221	0.9
295.05997	2.4
295.09711	2.0
303.06677	0.6
303.10135	1.2
305.08179	2.4
307.05951	1.5
307.09387	1.2
309.07642	1.7
315.23080	1.3
317.08157	1.6
319.09537	0.6
331.09860	0.6
333.24170	10.4
333.27899	0.9
359.16415	2.1
361.18015	1.5
369.15002	1.1
377.17395	4.7
379.19156	1.6
387.15909	10.2
389.17441	1.3
395.18472	1.5
405.16928	20.1
406.17151	0.7
407.13910	0.7
407.18756	0.8
415.15131	2.8
423.17990	13.1
433.16437	22.7
433.22321	1.2
434.16898	0.6
451.17484	100.0
452.17993	3.4
469.18576	7.1
507.20023	3.6
515.22186	0.7
525.21124	29.5
526.21100	0.6
543.22186	12.7
544.22748	0.6
765.39197	1.0
783.40881	24.5
784.40820	1.5
801.41693	7.8
905.19708	0.6
963.55188	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	963.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	7.1
68.99789	2.0
69.07056	2.7
69.19196	3.6
71.01289	0.7
77.03925	0.6
79.05480	10.5
81.07048	7.4
83.08624	1.0
91.05466	11.0
91.05991	1.0
92.59684	0.6
93.03404	0.9
93.07030	7.9
95.04955	3.1
95.08600	2.9
105.04508	1.1
105.07024	7.2
107.04914	1.2
107.08572	4.0
109.06519	0.7
109.10163	1.3
111.04441	0.7
117.04807	4.2
117.07040	2.1
119.04935	7.0
119.08581	4.8
121.02850	30.2
121.03760	1.5
121.10122	1.5
124.03934	1.3
127.03921	1.1
129.06992	1.5
131.04918	1.1
131.08591	2.5
133.06566	0.9
133.10098	3.5
135.11670	1.5
137.02292	1.0
138.61852	0.6
139.03926	0.8
141.01830	1.9
143.08568	1.0
145.02811	3.5
145.06523	1.0
145.10077	1.6
147.04370	1.6
147.11633	1.3
149.02328	3.7
149.95073	0.7
151.03897	2.6
155.03387	1.0
157.01367	1.3
157.06558	0.8
157.10138	1.0
159.04407	1.2
159.11732	1.4
161.13271	1.4
163.03856	4.3
163.11194	1.0
165.05490	1.2
167.03391	6.3
169.04968	1.2
169.06348	0.9
171.11746	0.9
173.05917	1.2
175.03902	2.0
175.14839	0.7
177.05457	1.8
181.04974	0.8
187.03897	1.6
187.07558	1.2
189.05450	0.8
190.07619	0.8
193.05104	1.0
197.05934	2.2
199.03885	0.7
211.07578	0.6
213.05440	0.9
215.07014	1.0
227.07018	2.9
229.04964	4.4
231.06393	1.6
239.06973	3.9
241.04921	3.5
241.08588	0.8
241.19539	1.9
243.06439	3.3
247.05919	1.0
251.07056	2.0
252.07574	0.9
253.08720	1.4
255.06490	22.9
257.04523	2.4
259.20615	1.8
265.04984	1.2
265.08606	2.7
267.06491	75.0
268.06998	2.7
269.05212	1.0
269.08054	7.8
271.06009	2.0
277.08597	6.0
279.06454	1.5
279.10187	2.0
281.08090	4.8
282.08640	0.8
283.05972	3.5
289.08600	3.1
290.09387	0.8
291.06815	0.7
291.10071	1.4
292.07404	0.7
293.08102	7.8
295.05945	2.9
295.09644	2.3
303.10037	1.5
305.08029	3.6
307.06244	1.4
307.09595	1.7
309.07547	1.4
315.23087	1.0
317.08124	1.7
319.09726	0.9
333.24188	11.3
359.16400	2.4
361.17981	2.7
377.17355	5.5
379.19107	1.8
387.15863	10.3
389.17505	1.9
395.18588	1.9
405.16901	20.7
407.18491	1.7
415.15533	2.3
423.12851	1.1
423.18015	14.5
433.16415	24.3
451.17453	100.0
452.17728	3.5
469.18472	8.0
479.52344	0.7
497.21777	0.9
507.20200	2.8
513.63092	0.8
517.29993	0.8
525.21100	28.2
543.22125	11.6
765.40247	0.8
783.40857	24.1
784.41418	1.1
801.41479	7.6
933.57385	0.8
963.54614	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	964.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03067	0.2
69.03428	2.9
70.46474	0.1
71.01336	0.5
71.04990	3.0
73.02914	4.8
75.04480	0.3
81.03416	0.8
83.04979	2.2
85.02899	7.3
87.04469	0.5
89.03902	2.3
91.05476	0.4
92.49561	0.1
95.04960	0.3
97.02884	5.0
99.04444	0.6
101.02374	0.2
103.03960	0.2
103.05407	0.1
109.02872	0.4
111.04427	1.4
115.03910	1.5
117.03371	8.0
119.04972	0.2
121.06500	0.2
127.03899	0.7
129.05479	1.6
133.04948	0.7
134.03618	0.5
135.04411	0.5
137.06017	0.2
139.03931	0.1
145.02837	33.7
146.03162	0.4
147.06548	1.0
149.05965	3.2
151.07509	0.7
157.05020	0.2
163.03885	0.6
169.04857	0.1
177.05457	100.0
178.05777	0.8
179.07034	0.3
186.05437	0.3
193.08514	0.2
195.06499	1.9
225.07500	0.4
235.09660	0.3
242.45738	0.2
243.08688	0.3
246.07974	0.2
247.09804	0.2
259.09637	0.2
260.69516	0.2
261.09631	0.2
273.09940	0.2
277.10703	0.3
279.10864	0.3
287.09027	0.2
289.61737	0.1
305.09845	0.2
309.09695	0.5
321.09695	1.0
323.11307	0.7
339.10727	27.9
340.10950	0.4
343.72467	0.2
471.15515	0.3
501.15927	0.6
528.93475	0.2
649.98828	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	965.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.9
67.05496	10.5
68.99775	2.2
69.07064	2.2
71.19584	0.8
71.43549	1.0
79.05488	8.3
81.07054	8.4
83.08579	1.0
83.10494	0.7
89.73234	0.9
91.05487	6.0
93.07031	7.7
95.04962	2.5
95.08610	5.4
95.09122	0.9
97.87037	0.9
102.14979	0.8
105.07014	3.0
107.08583	3.3
109.10149	2.4
111.04533	0.8
114.26514	0.8
117.06990	1.4
119.04916	5.1
119.08604	2.0
121.02863	26.0
121.10171	1.9
123.00800	1.1
123.04379	0.9
131.08508	0.9
133.10095	1.1
133.29974	0.8
135.11696	1.7
141.01807	2.2
145.02853	2.4
145.10298	0.9
146.55396	0.8
147.04395	2.0
149.02350	3.3
150.51558	0.9
151.03888	2.6
157.01343	1.1
161.08403	1.0
163.03899	5.5
163.11151	1.1
165.05476	1.2
167.03360	4.3
169.05032	1.2
175.03925	1.3
177.05505	1.7
179.07036	1.4
187.03897	1.0
189.05501	1.1
197.05893	2.7
213.05379	1.0
227.06998	2.4
229.04958	2.7
231.06348	1.5
239.07056	3.4
241.05051	4.8
243.06544	3.1
251.07207	1.2
252.07776	1.5
253.08743	1.1
255.06522	21.6
257.04468	1.2
257.08002	1.0
265.04807	1.2
265.08603	2.4
267.06506	63.6
268.07181	2.6
269.08032	6.1
271.05975	1.1
275.05313	1.1
277.08597	5.6
279.06573	1.5
279.09933	1.1
281.08173	5.5
283.06012	3.8
289.08530	1.4
293.08078	6.9
294.08713	1.0
295.06070	2.8
295.09436	1.6
305.08096	2.7
307.06085	1.7
307.09540	1.4
309.07660	1.0
317.08221	1.2
335.25812	14.8
337.10376	0.9
359.16470	2.7
361.17902	1.9
369.14899	1.4
376.97150	0.8
377.17569	5.2
377.85419	0.8
379.18976	2.1
387.15854	10.1
389.17432	2.1
395.18387	2.4
405.16901	17.2
407.18408	1.9
415.15668	2.1
423.17953	13.1
433.16428	23.3
451.17496	100.0
452.17593	3.1
469.18445	6.5
507.20078	3.4
525.21204	30.1
525.71924	0.9
543.22162	10.8
669.33759	1.0
785.42584	32.6
786.42786	1.8
803.29816	1.2
803.43597	15.0
848.01465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03391	0.2
69.11373	1.3
73.02898	0.8
73.06548	2.0
77.03911	0.9
79.05485	5.8
87.04447	2.5
88.34074	0.2
89.06021	6.2
91.05464	3.0
93.07038	0.3
95.04403	0.3
95.04958	3.2
97.44608	0.2
103.05459	5.0
103.07567	38.8
104.07935	0.3
105.04620	1.3
105.07014	100.0
106.07352	0.9
113.05981	0.4
116.06219	0.3
117.06981	0.6
117.09126	2.2
119.08558	0.6
121.06499	2.8
129.06989	1.3
131.07079	0.9
131.08548	6.5
133.07579	0.4
133.08589	5.8
133.10144	0.6
135.08015	0.2
145.06534	0.3
147.08145	2.7
147.10138	18.0
149.09602	0.9
159.10109	0.2
160.90880	0.2
161.11729	0.9
165.09084	0.5
166.07698	0.2
171.07922	0.2
173.09592	0.5
175.09677	0.8
175.11104	0.2
177.11174	2.1
181.10086	0.5
191.10770	0.4
191.12772	1.8
193.12355	0.2
207.11682	0.3
209.13387	0.5
219.12048	0.2
221.13852	0.3
223.11140	0.9
223.15364	0.2
225.12712	7.3
227.12733	0.5
235.15349	0.8
249.12808	0.6
251.14273	11.9
253.15959	3.3
263.43817	0.2
267.13867	0.7
267.17584	0.3
269.15314	1.7
295.16928	0.8
297.19080	0.2
311.16580	0.5
313.18161	1.0
315.17737	0.3
327.17368	2.8
329.18939	12.3
330.19315	0.4
353.19037	0.4
355.20453	0.6
357.20709	0.5
371.20224	0.5
373.21600	4.7
373.26227	0.3
374.97141	0.2
401.23126	0.4
419.24484	0.4
433.25491	0.4
451.17609	0.2
463.27176	0.2
477.27844	4.3
724.74524	0.2
741.44012	0.4
839.35724	0.2
845.49683	0.2
966.59167	7.0
967.59601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
71.23788	0.4
71.36950	0.3
73.02913	0.7
73.06541	1.3
73.56970	0.3
74.87688	0.3
77.03904	0.9
79.05482	5.7
87.04459	2.6
87.04916	0.5
89.06026	5.8
91.05470	2.9
95.04951	3.9
103.05464	5.8
103.07571	34.7
104.07862	0.3
105.04521	1.3
105.07018	100.0
106.07341	0.8
110.19260	0.3
117.06994	0.8
117.09113	2.4
121.06498	2.5
129.06987	1.3
131.07069	0.8
131.08548	6.2
133.06461	0.4
133.08598	4.6
133.10138	0.7
145.06564	0.4
147.08252	2.3
147.10139	18.5
149.09621	0.8
161.11707	0.8
173.09534	0.4
175.09660	0.8
177.11195	2.7
191.08913	0.4
191.10602	0.5
191.12737	1.0
193.92564	0.4
209.13335	0.4
211.13394	0.5
219.12439	0.3
221.13727	0.5
223.11133	1.0
225.12721	5.9
225.14806	0.5
235.15137	0.6
249.12683	0.8
251.14276	10.6
253.15924	2.9
269.15259	1.7
271.15311	0.5
295.16843	0.7
311.16342	0.7
313.17929	1.1
327.17337	2.6
329.18964	11.0
330.19299	0.5
355.20435	0.5
357.20538	0.4
371.20087	0.8
373.21585	4.7
417.24167	0.4
419.24512	0.4
477.27795	4.1
521.30286	0.4
523.29211	0.4
741.44727	0.5
966.59290	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	967.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	0.6
78.04710	1.2
78.48663	0.4
79.05482	0.3
81.03431	0.4
89.03909	21.6
89.06002	0.4
91.05476	5.1
93.07038	0.4
95.04969	1.0
103.05470	1.0
105.03407	0.9
105.07080	0.8
106.04152	0.9
109.02880	0.5
111.04469	0.4
112.99969	0.4
117.03368	47.7
119.04933	7.9
120.81010	0.4
121.02869	4.7
121.06460	0.6
122.03657	0.6
124.05222	1.1
127.03868	0.4
129.04457	0.5
130.04065	0.3
131.04921	1.4
133.02843	4.5
133.06467	0.9
133.08667	0.5
134.03630	3.0
135.04410	3.7
137.05969	7.9
139.01576	0.9
145.02835	91.5
146.03247	0.6
147.04401	6.5
149.02309	0.5
149.05966	14.7
149.07156	0.8
150.05602	0.3
150.06647	0.8
151.03909	0.8
151.07536	1.9
157.03964	0.4
160.05132	0.3
161.05942	2.9
162.03128	1.3
162.06696	1.9
163.03906	1.9
165.05505	0.9
173.05997	0.8
175.03912	3.9
177.05453	100.0
178.05782	1.2
179.07010	5.8
180.07721	0.7
181.04973	0.6
186.05476	1.4
187.04083	0.4
187.07628	0.5
189.01788	0.7
189.05452	1.0
191.03369	0.7
199.07642	0.4
201.05449	5.7
203.03528	0.7
203.06989	0.4
205.06551	0.5
207.02852	0.7
213.05470	0.6
217.04932	0.8
219.02898	0.6
219.06459	0.9
227.06964	0.4
229.04910	0.4
231.06363	0.8
233.06010	0.7
234.06705	0.5
239.07097	0.4
243.06488	3.0
259.05917	0.4
265.08508	0.6
267.06516	0.7
268.07324	0.6
271.06046	4.4
277.08539	0.4
279.06503	1.2
280.07208	0.4
281.08051	0.9
283.05887	2.1
284.06641	0.8
291.70352	0.3
293.07822	1.0
294.05188	1.7
295.05966	5.9
296.06537	0.7
297.07455	1.5
305.04672	0.7
305.08087	2.0
307.06049	6.0
307.09488	0.6
308.06729	2.1
309.07513	3.7
309.10999	0.8
311.05576	0.9
313.07007	7.5
319.05972	1.6
319.09534	0.5
321.07404	3.6
322.08264	0.6
323.05536	0.5
323.09094	1.1
325.06998	5.8
325.10681	4.6
333.07581	1.4
334.08273	0.4
335.05392	0.8
335.09140	0.8
337.06961	10.5
337.10715	2.7
339.04968	0.8
341.10114	1.1
347.09186	1.1
349.06973	3.4
349.10886	0.8
351.08679	1.9
353.06366	0.7
355.07922	1.7
355.11728	3.8
361.06970	1.5
363.08356	0.6
365.10233	0.6
367.08133	0.5
367.11694	2.6
373.08087	0.4
373.12729	2.5
375.08640	1.1
377.06488	0.6
379.07797	3.0
379.12192	0.7
391.08130	2.2
394.80814	0.4
397.08929	1.0
401.06885	0.6
403.08017	1.7
405.06003	0.5
409.09091	1.0
415.10266	4.2
421.08972	3.1
427.09930	1.2
429.11414	0.7
433.11441	3.2
439.10251	1.8
455.10559	0.7
457.11285	7.8
468.08279	0.6
471.10651	1.0
475.11996	1.5
481.10831	1.5
483.10611	0.8
485.11856	1.2
487.15869	1.0
495.10913	0.5
499.11368	1.0
501.12027	0.6
507.10797	0.6
511.10233	1.7
513.11572	0.4
515.09552	0.6
523.12250	1.5
525.11298	0.5
529.11108	1.4
535.17810	1.2
541.12793	1.1
553.10834	0.4
559.13440	1.2
571.12024	0.7
577.14685	0.7
583.12073	0.6
613.13257	1.4
631.14673	1.4
633.16266	0.6
643.16040	1.0
649.15814	3.4
650.15930	0.5
661.16956	1.8
673.16138	1.5
679.17609	2.4
685.16742	0.4
691.17426	1.6
703.16846	0.5
709.18451	1.5
745.18665	0.6
751.17767	0.7
757.20178	0.6
763.20428	2.1
769.19495	0.8
775.20160	0.6
781.21472	3.9
793.20306	1.3
799.22211	7.0
811.21600	1.9
829.23145	3.6
847.23395	1.2
865.21710	0.5
883.23834	0.5
901.24847	2.2
919.26569	1.7
949.27881	0.5
967.35059	0.6
967.69690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	7.1
67.05862	0.4
68.99787	1.1
69.07066	1.3
77.03922	0.3
77.14987	0.3
79.05486	5.9
81.03401	0.5
81.07045	6.1
83.08644	0.7
85.02904	0.5
91.05463	4.1
92.82783	0.4
93.07034	5.3
95.04989	1.5
95.08602	3.7
97.02943	0.4
105.03392	0.8
105.04505	0.4
105.07022	2.7
107.04977	1.1
107.08570	1.8
109.10175	1.5
111.04434	0.5
115.05531	0.3
117.07029	1.2
119.04939	3.5
119.08595	1.4
121.02854	19.9
121.06451	0.8
121.10152	1.3
122.03227	0.4
129.07010	0.5
131.04897	0.4
131.08586	1.4
133.02884	0.7
133.06488	0.6
133.10129	0.6
135.08163	0.4
135.58110	0.4
137.09647	0.3
141.05507	0.5
145.02875	1.2
145.06477	0.6
145.10150	1.0
147.04417	2.1
147.11736	0.4
148.42386	0.3
149.02280	0.4
149.05981	0.6
149.09599	0.5
151.03888	13.1
157.10278	0.4
159.11705	0.5
161.05989	0.7
163.03877	3.2
165.05534	0.4
167.03410	0.7
167.07175	0.5
169.06563	0.4
173.05962	0.5
177.05513	0.6
179.07028	0.5
183.08110	0.4
187.07542	0.9
190.67981	0.4
191.07013	0.4
203.21877	0.4
211.07542	0.4
215.07063	2.3
223.07587	1.2
226.06172	0.7
227.06979	2.1
227.10530	0.4
237.09244	0.4
239.06989	14.7
239.10699	0.6
240.07784	1.0
241.08577	3.4
243.14034	0.4
251.07005	19.6
252.07755	3.5
253.08522	3.9
254.09439	0.5
255.06487	2.4
255.10258	0.5
265.08588	4.5
266.09348	1.0
267.06592	6.9
267.10239	1.6
268.07108	0.6
269.08081	1.2
277.08591	3.9
278.09372	1.1
279.10086	2.5
281.08139	1.9
281.11334	0.4
283.09677	1.0
289.08698	1.1
291.10245	1.5
292.11176	0.4
293.08160	1.3
293.11777	1.0
295.09537	3.3
297.11169	0.4
305.08209	0.7
305.11588	0.5
307.09766	0.6
309.11212	0.7
311.09155	1.0
323.09274	1.0
324.09973	1.0
333.14917	0.4
335.12363	0.8
335.16360	15.7
335.25714	6.1
335.29633	0.6
336.16821	0.6
345.14911	2.0
347.16470	0.5
351.19458	1.7
361.17993	2.1
363.15848	34.4
364.16370	1.1
365.17487	0.7
371.16553	0.8
373.14664	0.8
375.16006	0.9
377.17551	0.5
379.15222	0.4
379.19040	9.2
381.17050	0.5
389.17468	4.5
391.14886	0.6
391.19147	1.2
397.20197	0.6
407.18491	38.8
408.18979	1.6
417.16946	2.2
423.18112	0.6
424.18326	0.7
425.19550	6.5
435.17978	32.9
436.18372	0.8
451.17429	0.9
452.17767	0.8
453.19055	24.1
454.19162	0.4
471.19885	3.5
471.25580	0.3
509.21524	2.7
525.20874	0.4
527.22705	11.5
528.23370	0.4
545.23773	22.5
546.24091	0.9
769.42706	0.9
787.43970	18.2
788.44531	1.4
805.45062	100.0
806.45587	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	967.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	6.0
68.99757	1.2
69.07047	1.6
72.14821	0.8
73.88450	0.8
74.94293	0.7
79.05490	5.0
79.05877	1.0
81.07044	6.3
83.08591	1.4
91.05472	4.7
93.07050	5.2
95.04967	2.4
95.08598	3.8
98.23528	1.2
105.03407	1.0
105.07010	3.0
106.66173	0.9
107.04948	1.4
107.08569	1.2
109.10160	1.4
117.07047	1.1
119.04949	3.0
119.08574	1.3
121.02856	21.2
121.03774	1.1
121.10133	2.5
129.06956	1.2
131.08549	1.5
145.02849	1.6
147.04419	1.3
147.11885	0.9
149.05922	0.9
151.03883	10.3
151.05023	1.2
163.03896	3.2
173.05901	0.9
187.07626	2.0
195.06427	0.9
215.07072	1.8
227.07025	2.9
228.60999	0.8
239.07001	14.2
240.07629	0.8
241.08566	2.8
251.07047	16.9
252.07715	3.4
253.08525	3.0
255.06464	1.4
262.15012	0.9
265.08563	3.7
267.06525	5.7
267.10184	1.6
269.08115	1.3
277.08582	3.3
279.09973	1.8
281.08023	2.4
289.08374	0.9
291.10147	1.6
293.07983	1.3
295.09662	2.7
297.07797	0.9
323.08981	1.1
324.10037	1.1
335.16422	17.7
335.25510	4.7
345.14716	1.5
361.17950	3.4
363.15833	40.3
365.17389	1.1
373.13681	1.6
379.19147	9.1
389.17404	5.5
391.14828	1.1
391.19174	2.7
407.18509	50.7
408.18903	1.3
417.16913	3.0
425.19479	9.0
430.42426	0.8
435.18018	35.2
435.23999	2.0
436.18066	1.7
451.17163	1.5
453.19119	25.1
471.19727	4.2
509.21451	3.3
527.22693	13.6
545.23840	12.7
787.44275	7.7
788.43750	1.4
805.45081	100.0
806.33643	0.8
806.45367	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	972.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	7.4
70.94053	2.8
73.02905	3.9
80.68890	1.8
83.61936	1.6
85.02888	6.4
85.03870	1.8
91.05458	7.4
95.04960	2.4
103.05472	19.8
105.03368	4.9
114.94880	1.7
115.05428	8.4
118.65212	2.0
129.06990	4.3
131.04919	61.6
132.37210	1.6
141.06934	2.0
141.13007	1.6
141.38564	1.8
142.06519	3.8
153.06969	8.2
155.04926	4.6
165.06989	4.4
165.09198	1.9
166.01314	2.3
167.08568	3.4
168.02911	5.0
170.05919	2.5
177.07022	3.2
179.04874	2.5
179.08545	2.7
181.06493	9.7
189.06972	3.7
191.04854	2.7
192.02887	4.2
193.01286	3.4
193.06467	6.0
195.08041	4.6
203.04863	2.2
205.01213	2.3
205.06415	9.7
207.04364	2.4
209.05972	15.2
212.07040	7.8
213.00180	3.7
217.06497	2.6
218.00894	9.5
219.04395	2.0
221.00769	4.4
221.05952	7.4
223.07468	5.9
225.05428	2.8
231.04478	2.3
233.05920	12.4
235.07581	3.1
237.05348	8.8
238.04985	2.1
241.04941	3.3
245.06001	5.0
246.98698	5.4
247.03973	3.2
249.05444	10.9
251.07024	8.5
252.06584	3.0
256.05939	3.2
259.03912	5.4
261.05457	11.0
263.07043	6.6
272.09186	2.7
273.05472	9.1
277.04932	14.7
279.06552	6.5
280.06006	25.6
287.03375	2.6
288.01401	2.4
291.06329	8.9
296.09091	5.8
298.07065	1.9
301.04883	7.8
303.06412	3.3
305.04416	17.4
307.05655	3.1
312.01230	3.4
317.04388	2.7
319.05930	18.7
322.07095	11.2
323.05432	6.4
325.80304	1.9
329.04315	14.8
333.03925	28.7
337.06876	2.5
347.05417	39.1
351.05127	10.3
357.03860	4.1
364.00891	2.1
372.05109	5.6
375.04953	91.8
376.05392	2.3
384.12354	30.2
386.06329	3.3
393.06021	67.0
394.06915	2.1
414.05823	2.1
416.07834	2.1
426.13165	2.0
437.10129	3.6
438.00464	2.9
442.05154	2.4
479.11230	62.6
496.06482	4.5
496.13681	3.6
524.05890	4.9
542.07092	12.7
552.05627	6.1
600.12799	5.3
628.12177	10.1
646.13007	5.9
656.11786	12.4
674.13019	10.6
704.18701	9.9
732.07642	2.7
732.18591	33.4
734.19757	3.6
750.19611	69.8
760.05463	3.5
760.18018	43.9
778.19165	36.0
926.22852	100.0
954.22455	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	972.234
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	4.9
71.01340	2.3
73.02914	4.6
78.41698	2.3
85.02889	8.5
91.05463	7.4
95.01293	2.6
99.00873	2.4
103.05456	21.1
105.03391	3.3
105.06971	2.8
111.82750	2.1
113.02339	3.1
115.05437	15.7
129.06995	3.9
131.04918	63.5
142.06442	3.8
153.06995	8.0
155.04941	7.7
165.07022	6.4
166.01289	4.1
167.08519	3.6
168.02892	3.8
170.06012	5.2
177.06979	5.0
179.04889	2.6
179.08539	4.0
181.06511	8.0
192.02946	7.4
193.01341	4.8
193.06464	6.4
195.08041	5.6
201.17612	2.3
205.06445	11.1
207.04404	3.5
207.08096	2.9
209.05928	17.8
212.07033	10.6
217.06328	3.5
218.00848	13.5
221.00841	5.9
221.05946	8.8
223.07492	4.2
225.05376	3.9
232.06044	13.2
233.06024	11.7
235.07445	3.9
236.01952	3.0
237.00284	2.8
237.05464	5.2
238.04948	5.0
241.04938	4.9
245.05939	5.5
246.98776	11.3
247.03964	3.3
247.07401	2.8
249.05383	11.9
251.07040	8.2
252.06531	3.7
256.06235	2.8
259.03943	5.1
261.05423	9.5
263.07083	4.6
270.07761	2.7
272.09219	4.6
273.05493	9.0
277.04883	17.4
279.06308	5.7
280.06006	31.9
289.04718	2.9
291.06393	8.2
296.09058	11.2
298.07251	2.6
301.04898	5.9
303.06503	3.4
305.04559	13.4
314.03052	2.6
319.06073	21.0
322.07162	18.2
323.05389	5.5
329.04407	13.4
333.03903	27.5
336.12180	17.9
337.12506	6.4
337.98984	2.8
347.05527	34.3
351.04953	9.6
357.04001	3.3
359.05432	2.4
364.08340	3.1
374.06427	2.9
375.04944	77.8
382.09174	3.0
383.09424	2.7
384.12329	32.9
393.05972	66.1
416.07416	5.3
426.13260	4.2
465.62756	3.0
479.11221	74.1
496.06531	4.6
507.14078	2.4
514.07385	3.0
524.05920	7.1
524.13177	4.0
542.07306	17.3
552.05499	5.3
600.12622	7.5
628.11798	9.6
646.13245	8.6
656.11133	11.6
674.12781	18.5
675.12640	2.5
704.18732	8.9
732.18848	27.1
734.19965	2.6
750.19629	100.0
751.19330	3.3
760.17853	42.0
778.19067	68.4
779.18896	3.1
822.16797	3.7
926.05017	4.8
926.22882	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55989	0.6
71.04980	0.4
73.02913	2.2
73.06554	1.1
77.03912	0.8
78.99496	0.8
79.05483	5.8
87.04459	2.8
89.06020	7.7
91.05470	2.6
93.07050	0.2
95.04961	2.9
103.05460	5.3
103.07569	2.2
105.04603	1.3
105.07017	100.0
106.07354	1.0
109.00499	0.2
111.02087	0.2
112.99997	2.6
113.06023	0.2
115.05433	0.4
115.07554	0.7
116.06213	0.3
117.06966	0.5
117.09118	1.7
117.42409	0.1
119.04883	0.2
119.08578	0.6
121.06496	2.1
127.01550	21.4
128.06200	0.3
129.06970	1.1
131.07104	0.9
131.08554	8.5
133.06406	0.2
133.08588	6.2
133.10065	0.7
139.01537	9.2
145.06482	0.4
147.08035	2.0
147.10121	1.4
149.09583	1.1
153.03098	28.8
155.08534	0.2
159.10178	0.7
161.11676	0.4
163.07535	0.1
163.11092	0.2
165.06978	0.2
165.09094	0.3
166.07782	0.4
169.10129	0.2
173.09595	0.5
175.09637	0.6
175.11092	0.3
177.11206	1.7
178.07698	0.2
181.10115	0.9
183.04156	4.4
191.10626	0.3
193.12251	0.2
197.05714	20.1
203.12698	0.2
207.11670	0.4
209.11607	0.4
209.13290	0.5
211.13222	0.2
212.79895	0.1
215.06714	0.4
219.12112	0.2
221.09444	0.1
221.13734	0.3
223.11142	1.3
225.12720	7.0
227.06721	2.2
227.12756	0.4
235.14801	0.6
237.12827	0.2
241.08322	6.0
249.12671	0.6
251.14281	15.4
252.14624	0.6
253.15916	4.3
259.09421	0.9
267.13785	0.8
267.17584	0.3
269.15317	1.6
271.09412	2.5
271.15295	0.5
285.10898	2.1
295.16766	0.9
301.15814	0.3
303.12009	0.8
311.16141	0.7
313.18121	1.0
315.11996	1.5
315.17688	0.3
327.17361	3.5
329.18948	17.6
330.19235	0.6
339.19611	0.2
347.14621	1.0
353.18759	0.7
355.20477	0.8
357.20541	0.3
359.14694	0.7
371.20001	1.1
373.16849	0.3
373.21585	5.3
374.21857	0.2
391.17282	0.9
401.23218	0.2
403.16901	0.4
415.22525	0.2
417.24033	0.2
419.24487	0.2
433.25266	0.3
433.79993	0.1
435.19635	0.7
447.19812	0.3
477.27835	5.9
478.27728	0.2
479.22336	0.6
518.72559	0.2
649.13641	0.1
747.37079	0.8
851.43262	1.8
852.42865	0.2
955.48291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09921	0.5
69.10342	0.7
71.04978	0.5
73.02914	1.9
73.06548	0.8
77.03922	0.8
78.99517	1.0
79.05483	6.6
87.04459	2.3
89.06018	4.8
89.06540	0.3
91.05470	3.7
93.07046	0.4
95.04347	0.2
95.04959	4.0
103.05459	6.7
103.07580	1.1
105.04583	1.6
105.07017	100.0
106.07362	0.7
107.04958	0.2
107.07033	0.2
109.00581	0.2
113.00007	3.3
113.05968	0.2
115.05432	0.5
115.07579	0.5
116.06229	0.6
117.07019	0.5
117.09125	0.8
119.04890	0.2
119.08569	0.7
121.06487	1.9
124.99996	0.3
127.01554	27.2
128.06194	0.4
129.07007	1.5
131.07016	0.5
131.08554	5.2
133.08594	2.7
133.10129	0.7
139.01537	7.7
140.85426	0.2
145.06502	0.3
147.08034	2.1
147.10138	0.7
149.09593	0.6
153.03096	22.3
159.10153	0.2
161.11603	0.2
165.06972	0.2
165.09045	0.2
166.07811	0.4
173.09592	0.3
175.09666	0.4
177.11217	0.7
179.08603	0.3
181.10133	0.5
183.04185	1.9
192.09238	0.3
193.10051	0.2
195.11581	0.2
197.05714	10.0
209.13322	0.3
215.06625	0.3
221.09621	0.3
222.10402	0.2
223.11208	0.7
225.12727	4.3
227.06747	1.2
233.30836	0.2
235.14757	0.3
236.11739	0.2
241.08327	2.8
249.12750	0.6
251.14272	10.9
252.14702	0.3
253.15930	2.2
259.09381	0.4
267.13992	0.3
269.15353	0.5
271.09366	1.3
271.15396	0.2
285.10855	1.2
295.17053	0.3
303.12076	0.2
311.16483	0.3
313.17868	0.6
315.11996	0.9
327.17413	1.7
329.18961	7.9
347.14468	0.3
353.18930	0.6
355.20081	0.3
359.14487	0.3
371.19958	0.5
373.16800	0.3
373.21585	2.2
391.17258	0.4
477.27802	2.6
741.17572	0.2
747.36810	0.5
851.43384	0.8
955.49420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71201	1.8
76.84628	0.9
76.86217	1.0
79.63534	1.1
81.02939	1.1
87.04465	1.1
91.18761	1.0
94.83764	1.2
105.07059	4.3
117.30426	1.1
128.08328	1.0
140.97444	1.0
394.05417	1.1
441.97476	1.2
469.16803	1.1
607.64130	1.2
610.13086	1.1
758.99969	1.2
846.03101	1.2
864.37671	1.2
907.77472	1.2
973.50629	100.0
974.50500	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	973.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
79.46803	1.2
87.04424	1.2
87.91312	1.2
103.84807	1.3
105.06998	7.2
116.62955	1.2
137.87305	1.2
139.01601	2.4
144.28386	1.1
171.41336	1.1
269.03268	1.2
530.77802	1.3
728.96222	1.3
973.50665	100.0
974.50659	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	974.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	1.3
70.06586	3.8
71.04991	1.2
73.02906	5.9
73.06540	7.0
84.08149	1.7
86.09703	2.3
87.04465	33.5
87.09900	0.7
89.06026	100.0
103.07577	83.4
103.95401	0.8
104.05281	0.8
107.07057	3.0
110.07160	0.9
112.94892	0.7
113.06007	2.9
115.07561	2.0
117.09126	10.2
121.02873	1.0
128.80070	0.7
129.10223	1.6
130.08626	1.0
131.07025	7.1
133.08603	61.0
136.06195	1.0
147.04393	0.8
147.10156	33.1
159.10170	1.4
161.11765	3.4
167.07051	2.3
168.07288	0.7
175.09705	5.0
177.11208	21.1
191.12840	2.1
219.12305	1.2
221.13889	2.9
223.15421	0.8
267.17990	0.9
283.17532	1.6
309.19128	1.2
386.65665	0.9
906.43860	0.9
957.56506	1.5
974.61761	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	976.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	14.1
69.07064	1.5
69.97824	0.9
71.01382	0.3
71.04996	2.0
73.02915	3.3
79.05493	1.5
81.03416	6.8
81.03898	0.3
81.07052	2.6
83.01350	0.5
83.08617	0.9
85.02900	100.0
87.04469	1.9
90.99499	0.3
91.03954	4.7
91.05489	1.1
93.07044	2.7
95.04994	0.4
95.08599	6.0
97.02889	30.0
99.04449	4.4
99.08106	0.9
101.02361	0.5
103.03931	0.9
105.07019	3.3
107.08583	4.7
109.02873	8.7
109.03635	0.4
109.10159	4.3
115.03950	0.8
119.08575	6.3
119.71651	0.3
121.10152	5.7
123.11673	1.3
127.03909	26.7
131.08554	2.4
133.10123	5.8
135.11694	3.2
137.13222	0.3
141.56149	0.3
143.08530	0.4
144.06607	0.4
145.04951	54.6
145.10117	4.2
147.11691	4.7
149.13268	2.5
151.03915	1.8
153.09125	0.3
157.10207	0.6
159.11678	5.0
161.13275	2.5
163.06007	31.2
163.14822	2.7
165.12880	0.3
171.11636	0.4
173.13249	2.6
175.14801	2.4
177.16399	1.5
181.07054	0.7
181.78815	0.3
185.13286	0.5
187.14807	4.8
189.16354	5.6
191.17931	16.6
199.14868	0.7
201.16383	9.9
203.14589	0.4
203.17944	3.8
204.08720	0.3
205.15895	0.9
205.19499	0.7
207.17430	3.5
211.14671	0.3
213.16376	1.2
215.17906	1.3
217.19492	1.6
219.13699	0.4
219.17366	1.7
221.15376	0.7
223.05844	0.3
227.17899	0.7
228.83490	0.3
229.15918	0.5
229.19530	0.9
231.21179	0.4
241.19548	0.6
243.21208	0.5
247.16959	4.4
249.18529	0.4
253.07091	0.3
271.08011	1.8
289.09164	3.6
291.13971	0.3
325.11276	16.9
327.23203	0.4
328.16559	0.3
341.24649	0.4
357.04575	0.3
359.25766	1.1
391.33591	3.4
409.34711	4.9
427.35529	0.8
437.34113	9.5
455.35199	10.7
455.48447	0.3
504.18921	0.4
934.72021	0.3
1010.51801	0.3
1010.75098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04790	0.5
71.04986	0.9
71.06497	0.2
71.62857	0.2
72.52798	0.2
73.02914	2.3
73.06559	2.1
78.99506	1.3
78.99887	0.2
81.03443	0.2
81.07027	0.2
87.04461	100.0
88.04794	0.4
89.06023	9.6
95.04968	0.3
103.07575	2.2
113.00014	3.1
113.05997	1.3
115.07574	1.0
117.09124	2.8
121.02853	0.8
125.00020	0.3
127.01556	22.9
131.07031	4.4
133.08594	6.2
138.05489	0.5
139.01535	8.6
147.10146	1.3
151.03877	0.3
153.03104	27.9
159.10144	1.2
161.11697	0.9
163.03879	0.3
175.09647	1.2
177.11197	1.6
183.04181	2.8
197.05724	13.4
219.12262	4.0
221.13852	0.3
227.06770	1.4
241.08318	3.3
259.04291	0.2
259.09506	0.3
263.14911	0.4
267.06427	0.4
271.09277	1.3
285.11032	1.3
295.05832	0.2
303.11850	0.3
315.11935	0.9
329.13403	0.5
339.82391	0.2
359.14697	0.7
373.15985	0.3
391.17096	0.3
403.17136	0.3
447.19919	0.2
456.88898	0.2
958.25299	0.2
961.48248	0.4
979.33179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68246	1.0
73.02910	1.1
73.06552	1.1
77.03940	0.6
79.05484	4.3
87.04459	100.0
89.06022	5.1
91.05470	7.1
93.06463	0.3
93.07032	0.9
95.04962	2.7
102.75555	0.3
103.05458	4.6
105.04526	1.0
105.07020	46.6
106.07387	0.4
107.04950	1.5
115.05462	0.4
117.07018	1.0
117.09116	1.0
119.04905	0.6
119.08566	3.1
121.06496	5.8
128.06195	1.1
129.06987	2.0
131.07033	4.1
131.08543	4.3
132.05711	0.8
133.06467	0.4
133.08588	2.5
133.10133	0.5
135.08011	0.5
145.06476	0.9
147.08037	22.5
149.09607	4.4
161.11745	0.4
163.11180	0.3
165.06970	0.4
165.09096	0.3
166.07756	0.6
173.09593	0.6
175.09616	0.6
177.11226	1.4
179.08505	0.3
181.10135	0.9
191.10564	0.3
207.11719	0.3
208.08813	0.4
219.12280	3.6
222.10388	0.3
223.11156	1.2
225.12726	11.0
235.14751	0.3
249.12721	1.9
251.14320	1.8
263.14835	0.6
269.15347	0.7
271.15311	0.3
313.17813	0.6
327.17453	0.6
329.18784	0.3
346.66925	0.3
373.21555	3.2
443.11331	0.3
490.75983	0.3
978.57764	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	978.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.3
69.89089	0.8
73.02912	0.8
73.06549	1.5
77.03928	0.4
77.70922	0.2
79.05489	3.6
87.04462	100.0
88.04778	0.5
89.06026	5.4
91.05472	6.3
93.07043	0.7
95.04971	2.3
98.22746	0.4
103.05460	4.1
103.06104	0.3
105.04522	0.8
105.07022	45.9
106.07363	0.3
107.04967	1.3
113.06039	0.3
113.56985	0.2
115.05457	0.3
115.07561	0.3
116.06242	0.3
117.07013	1.1
117.09129	0.9
119.04931	0.5
119.08576	3.0
121.06497	6.2
128.06195	1.1
129.07004	2.0
131.07037	3.7
131.08551	5.3
132.05658	0.4
133.06453	0.3
133.08595	4.4
133.10098	0.4
135.08020	0.4
145.06468	0.5
147.08038	22.4
148.08379	0.3
149.09608	4.1
151.98407	0.2
155.06001	0.3
161.11769	0.4
165.07054	0.2
165.09061	0.2
166.07780	0.4
168.13335	0.2
173.09669	0.4
175.09642	1.4
175.11061	0.4
177.11209	1.3
181.10107	1.0
191.10704	0.4
217.89597	0.2
219.12271	3.8
223.11153	1.4
225.10475	0.6
225.12717	11.2
249.12750	1.9
251.14360	1.6
263.14816	0.4
266.71332	0.2
267.13757	0.3
269.15433	1.1
271.15341	0.3
295.16949	0.3
299.18427	0.2
313.17783	0.4
327.17383	0.5
329.18796	0.5
373.21570	4.1
650.85193	0.3
922.09406	0.3
978.57867	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	980.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.0
69.07338	0.5
69.60715	0.8
71.04997	2.4
73.02912	11.8
73.06559	4.3
73.24728	0.4
78.99509	3.3
87.04463	33.8
89.06025	100.0
91.07563	0.5
103.07573	6.8
107.07045	1.8
111.02129	0.8
113.00000	8.3
113.06005	3.8
115.07564	3.3
116.26089	0.5
117.09132	5.5
127.01559	70.4
130.08551	0.7
131.07027	8.0
133.08595	59.9
139.01543	26.4
139.02635	1.0
147.10182	3.9
148.46652	0.4
153.03105	76.7
157.08589	1.0
159.10182	3.1
161.11714	1.6
169.02727	0.5
172.24861	0.5
172.92113	0.6
175.09674	5.4
177.11206	18.4
183.04163	9.8
191.12746	0.7
197.05725	36.3
203.12769	0.8
215.06624	0.6
219.12263	1.8
221.13876	2.7
223.15488	0.6
224.26335	0.4
227.06734	3.2
239.14822	0.5
241.08313	10.5
259.09424	0.5
265.16507	0.9
271.09433	4.5
283.17545	0.7
285.10870	4.2
303.12030	1.1
315.12067	2.9
325.62579	0.6
329.13531	1.7
347.14511	0.6
353.21652	0.6
359.14508	1.7
373.16025	0.7
391.17010	1.3
403.17136	1.4
435.19955	0.8
605.30402	0.6
812.15881	0.5
860.90900	0.6
963.51227	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	980.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03396	0.3
71.05006	0.3
73.02915	2.0
73.06541	2.3
77.03910	1.3
79.05487	6.7
87.04462	14.0
89.06024	62.9
91.05471	14.1
91.07563	0.5
92.05782	0.3
93.07043	1.6
95.04967	4.8
98.23530	0.6
103.05465	8.5
105.04593	1.8
105.07021	100.0
106.07343	1.1
107.04945	2.9
107.07040	1.7
113.05990	0.8
114.52260	0.2
115.05446	0.9
116.06232	1.0
117.07021	2.2
117.09116	2.8
119.04934	1.6
119.08561	6.1
121.05609	0.4
121.06498	13.1
128.06242	1.9
129.06998	4.4
130.08630	0.9
131.07060	4.6
131.08554	9.6
132.05699	1.3
133.08595	42.0
133.10019	1.7
134.08916	0.3
135.08038	0.7
135.10172	0.4
143.08583	0.3
145.06451	1.4
147.08038	52.6
148.08376	1.0
149.09604	10.3
155.06059	0.4
159.10185	0.5
161.11713	0.7
163.07579	0.4
163.11133	0.4
165.06979	0.5
165.09111	0.8
166.07809	0.6
173.09601	1.1
175.09676	3.0
175.11064	0.6
177.11206	14.2
179.08510	0.6
179.12794	0.3
181.10103	1.6
191.10596	0.6
193.10129	0.5
194.07280	0.4
207.11557	0.3
208.08781	0.9
219.12282	0.8
221.09535	0.4
221.13799	2.4
222.10323	0.5
223.11142	3.1
225.12723	27.5
226.13029	0.5
227.12813	0.3
235.13089	0.4
236.12000	0.4
237.12975	0.3
239.14851	0.5
249.12706	4.9
251.14308	3.6
255.15817	0.5
265.16510	0.5
267.13770	1.1
267.17996	0.3
269.15384	2.2
271.15363	0.4
283.17523	0.8
295.16901	0.7
309.18988	0.5
311.16388	1.1
313.17996	1.6
315.17999	0.3
327.17288	0.9
329.19000	0.8
334.83722	0.2
339.19531	0.3
353.21722	0.3
373.21542	8.5
374.21744	0.3
399.22885	0.3
449.15765	0.3
469.72910	0.3
600.23877	0.3
963.55029	0.9
980.58801	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	980.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	0.3
69.20047	1.5
69.33492	0.2
69.47122	0.2
71.04985	0.5
72.98992	0.2
73.02918	1.9
73.06558	3.2
77.03922	1.5
79.05041	0.5
79.05485	8.0
81.07056	0.3
87.04462	13.5
89.06023	65.3
90.06360	0.3
91.05472	14.6
91.07603	0.3
93.07040	1.7
95.04963	5.5
95.89149	0.2
98.23368	0.5
103.04776	0.4
103.05457	8.7
105.04550	2.4
105.07019	100.0
106.07371	1.0
107.04944	3.3
107.07051	1.8
113.06005	1.2
115.05449	1.0
115.07596	0.4
116.06224	0.9
117.07011	2.6
117.09134	2.6
119.04949	1.4
119.08569	6.4
119.47840	0.2
121.06496	13.5
128.06197	2.3
129.06992	4.5
130.08633	0.9
131.04912	0.2
131.06085	0.4
131.07022	5.4
131.08553	11.1
132.05682	1.5
133.06471	1.1
133.08592	43.1
133.10010	1.5
135.08026	0.7
145.06435	1.3
147.08035	50.1
148.08290	0.4
149.09602	9.5
155.05986	0.4
155.08536	0.3
159.10103	0.5
161.11667	0.7
163.07480	0.4
163.11145	0.5
165.06967	0.8
165.09132	0.6
166.07756	0.8
173.09656	1.3
175.09660	3.8
175.11113	0.5
177.11208	15.6
178.07874	0.3
179.08501	0.8
181.06473	0.4
181.10097	2.2
191.10637	0.9
191.29765	0.2
192.09308	0.7
193.12265	0.5
195.11961	0.3
201.11211	0.3
207.08020	0.5
207.11633	0.4
208.08772	0.4
209.13264	0.4
219.12170	1.1
221.09694	0.3
221.13757	2.3
223.11142	2.9
223.15385	0.3
225.12720	27.1
226.13063	0.5
227.12668	0.4
237.12790	0.5
239.14825	0.7
249.12744	4.2
251.14325	4.3
255.15913	0.5
265.16348	0.7
267.13718	0.8
269.15314	2.7
271.14929	0.3
283.17474	0.8
295.16998	0.4
298.32175	0.3
307.17145	0.3
309.18948	0.6
311.16452	0.8
313.17938	1.3
315.17807	0.4
327.17300	1.0
329.18909	1.1
357.67691	0.3
365.24307	0.3
373.21600	8.8
397.24197	0.4
399.22546	0.3
458.21832	0.3
489.27942	0.3
570.22906	0.3
581.06128	0.3
963.55701	0.8
980.59460	1.9
1013.75189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42426	1.5
73.39774	1.4
77.03934	1.5
78.04756	1.4
79.05521	1.5
80.58504	1.5
82.76679	1.5
89.03912	6.4
91.05470	70.9
94.93363	1.3
95.04965	4.0
97.02895	1.6
103.05474	4.2
105.03376	12.6
106.04191	3.6
107.04905	1.9
109.81695	1.5
115.05476	1.7
117.03387	6.4
118.04189	2.2
119.04929	87.4
121.02865	1.8
121.06474	3.8
129.03360	2.5
130.04185	2.1
131.04930	4.7
132.02072	4.6
133.02835	8.8
133.06488	2.4
134.03621	4.4
135.04449	3.3
136.05226	1.7
137.05966	4.8
140.20778	1.6
145.02821	8.9
145.06500	2.1
147.04398	75.7
149.02313	3.4
149.05977	4.8
151.03943	2.2
157.03941	8.1
161.05959	3.2
162.03084	7.1
162.06734	3.0
163.03928	6.1
164.04604	2.4
165.05525	2.0
167.06998	2.8
170.36861	1.5
175.03880	96.7
176.04523	2.5
177.05458	13.9
179.03473	2.4
179.06981	7.5
181.04916	2.6
189.01877	1.9
189.05388	2.8
190.02611	4.8
191.03363	4.4
191.07024	4.4
195.02780	1.6
196.09328	1.4
201.05437	1.5
203.03313	2.0
205.04930	71.1
207.06499	100.0
217.05066	3.5
219.06506	6.4
221.04378	2.0
224.27588	1.7
247.05971	4.1
249.07582	5.0
251.07286	2.1
260.56876	1.9
265.08633	3.2
267.06540	6.5
268.07199	3.4
278.05716	3.3
279.06512	23.4
281.08032	2.2
291.06497	19.7
292.07306	6.1
293.07883	7.7
295.06000	2.0
296.06873	1.8
297.07590	11.6
299.05447	3.6
303.06546	4.5
305.04681	2.7
305.08105	6.8
307.06116	2.5
309.07516	12.9
317.08109	3.6
319.06055	3.5
319.09604	3.3
320.06592	1.9
321.07486	19.3
329.10120	6.7
331.09244	1.9
333.07489	8.7
335.09189	4.4
337.07117	4.4
341.07727	2.3
342.13312	2.6
345.07605	3.1
353.10352	2.4
355.11725	3.7
357.07684	1.9
359.09000	2.3
361.06943	3.2
363.08557	8.7
366.09079	2.2
367.10239	4.2
369.11667	5.1
375.08661	5.2
381.09283	2.0
387.08597	5.2
389.06500	6.0
391.08173	2.6
393.09351	1.9
399.11011	3.7
405.09708	3.6
411.10065	2.2
415.08182	2.1
417.11447	3.8
423.10510	4.5
427.07953	3.4
430.10269	5.3
441.11725	11.3
443.11353	10.8
445.12509	2.9
447.10071	1.8
459.12515	2.1
465.10617	2.5
467.11365	1.8
471.10791	7.0
473.12228	13.8
483.11981	2.9
485.12057	6.0
491.09964	1.8
497.12140	5.1
499.13754	4.9
501.11856	27.5
507.12439	1.9
519.12982	3.1
525.11920	7.7
527.12744	3.6
529.11182	3.6
539.13776	2.0
543.12775	12.8
555.12903	6.0
557.14392	3.1
567.12769	6.2
585.13812	21.3
593.16180	4.6
597.14008	2.9
601.16888	2.8
603.14905	45.3
609.13666	2.4
619.17963	4.3
621.15363	4.5
627.14691	5.4
645.15753	9.8
646.15710	2.5
663.16943	30.0
664.17114	2.3
665.18695	1.8
721.21069	2.0
765.19812	6.3
783.21393	7.7
784.21912	5.1
813.22919	6.5
1003.46771	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	981.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.9
75.04485	1.2
77.03957	0.8
78.04700	2.4
79.05496	1.1
85.02907	1.0
89.03911	23.1
91.05477	6.7
93.03396	3.0
93.07039	1.5
95.04948	3.3
97.06541	1.0
98.22605	0.9
103.05466	3.3
105.03392	4.7
105.04507	0.9
106.04173	7.0
107.04955	3.0
115.05450	1.3
117.03372	50.6
117.07046	0.8
119.04913	2.9
121.06496	7.7
123.04400	0.5
123.08051	0.5
124.05216	1.3
125.06005	2.0
131.04900	2.9
132.05710	1.6
133.02834	1.2
133.06531	0.6
134.03622	3.9
134.30212	0.5
135.04431	4.0
137.05954	2.1
145.02838	91.0
145.06500	1.2
146.03192	0.7
147.04388	2.5
148.05124	1.4
149.05971	25.9
151.03886	0.9
151.07510	1.2
153.05405	0.8
153.09106	2.8
155.07062	0.7
158.03636	0.9
159.04408	0.8
160.05174	1.2
161.02281	0.6
161.05983	1.4
162.03069	1.9
163.03856	3.4
163.07574	1.2
165.05521	1.3
167.07021	10.5
171.04431	0.8
173.05975	2.2
175.03906	3.2
175.07597	0.4
176.04723	0.9
177.05457	100.0
177.96242	0.4
178.05836	1.0
179.07010	5.2
180.07808	3.8
181.04970	1.6
181.08583	6.2
182.09451	2.3
184.05183	0.7
185.06055	0.6
186.03107	0.8
186.05502	1.2
187.04004	0.7
187.07524	0.8
189.05429	1.1
191.03387	1.5
191.07002	5.5
192.07803	3.1
195.02823	0.5
195.06561	0.5
199.07556	1.6
201.05460	15.7
203.03363	1.0
203.07065	0.7
205.04959	0.8
207.02852	0.8
207.06494	1.7
209.08075	37.5
210.08858	3.0
213.05450	2.0
215.06975	0.7
217.04860	0.8
219.02957	0.6
219.06479	1.0
223.07539	0.7
225.05403	0.7
227.03366	0.6
231.06474	2.9
235.07440	0.7
239.07245	0.5
243.06488	6.2
251.06967	0.8
252.07658	0.8
255.06540	0.8
263.06949	2.0
265.08524	1.0
267.03796	0.4
267.06412	2.8
268.07175	1.2
272.11780	0.5
273.07532	0.9
275.06860	0.5
276.07748	0.6
278.05658	1.5
279.06488	9.3
279.09601	0.6
280.07159	1.2
281.07956	2.0
285.07629	0.9
291.06482	9.2
291.09561	0.4
292.07251	2.6
293.04947	0.9
293.08038	5.6
295.06021	0.9
295.09549	0.5
297.07541	8.5
303.06516	2.3
304.07373	0.7
305.08032	4.7
306.08643	0.7
307.05835	1.3
307.09595	1.3
309.07550	9.1
317.08029	1.7
319.05896	1.2
319.09525	0.8
320.06647	1.1
321.07510	13.8
323.05426	0.7
323.09082	0.7
331.09662	1.5
333.07471	4.9
334.07974	0.8
335.05322	0.7
335.09073	4.4
337.06943	0.8
339.08447	1.6
345.07657	2.5
347.09058	1.3
349.06943	1.1
349.10550	0.6
351.08325	1.1
355.11697	6.3
357.07294	0.7
359.08881	1.3
361.06976	1.3
362.07822	0.9
363.08578	5.4
367.11923	3.9
369.07083	0.6
375.08597	3.0
379.11859	0.6
381.09644	1.1
385.12634	1.0
387.08716	2.8
388.73416	0.5
391.08371	0.7
393.09656	1.7
394.09052	0.5
397.12631	1.9
399.10748	4.3
405.09650	3.2
409.12485	0.8
411.10434	1.0
413.11243	0.8
417.11786	2.5
423.10873	3.7
425.09937	0.7
427.13541	0.5
429.09866	0.5
437.10422	0.6
439.12518	0.5
440.10562	0.5
441.11807	8.8
445.10919	0.5
449.09949	0.6
451.12048	0.5
452.08875	0.9
455.11154	1.3
459.12289	1.3
465.11188	1.9
467.10852	1.6
469.12534	1.7
471.10733	0.7
479.10867	0.7
483.12274	1.4
491.10489	0.6
495.11127	2.1
507.12509	1.8
509.11166	0.7
513.11597	3.0
515.12866	0.5
517.17047	1.0
521.11707	1.0
524.12543	0.5
525.13184	1.0
537.11212	1.3
539.13007	0.6
543.13501	1.5
547.17517	0.6
551.13519	0.5
555.12555	1.2
561.15686	0.8
567.11682	0.8
573.13440	0.7
579.12543	0.7
585.97058	0.5
589.16479	0.6
597.13300	2.0
615.15125	2.8
616.14764	0.8
633.16016	4.4
634.15723	0.6
635.17883	0.8
645.16107	0.7
657.16138	1.1
663.16553	0.6
675.18384	2.2
687.17120	1.2
693.18933	1.5
699.16528	0.6
705.18793	1.6
710.23981	0.5
717.18793	0.6
723.19971	1.4
735.17883	1.4
741.18646	0.5
753.19104	1.2
754.20093	0.9
771.19928	0.6
777.21069	1.6
795.22028	2.7
807.22369	1.0
813.23938	5.4
825.22211	1.7
843.24530	2.6
897.25323	0.6
915.26190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	3.4
69.48405	1.1
69.48784	1.2
77.03920	0.8
78.04724	2.1
79.05502	2.7
81.03421	1.0
81.26945	0.5
85.02917	0.8
89.03913	19.4
89.04463	1.0
91.05485	9.6
92.33971	0.5
93.02856	0.5
93.03388	2.8
93.07040	1.7
95.04985	4.9
98.23456	1.4
103.05478	4.7
105.03395	9.0
105.04516	1.4
105.07017	0.9
106.04169	6.6
107.04954	13.7
108.05750	0.6
115.05457	1.7
117.03375	39.4
117.07050	0.9
119.04944	4.3
121.06507	8.4
123.04438	1.3
124.05213	0.7
125.05972	1.8
129.03311	0.9
131.04922	5.1
132.02115	0.8
132.05698	1.6
133.02809	1.2
133.06477	1.4
134.03658	3.7
135.04407	6.8
136.05144	1.2
137.05934	3.5
143.04929	1.1
145.02844	81.7
145.06483	2.2
146.03363	0.6
147.04385	3.4
148.05193	2.0
149.02391	0.5
149.05977	20.3
151.03935	1.3
151.07556	2.7
153.05461	0.8
153.09099	2.3
155.07092	0.9
158.03593	1.6
159.04433	2.2
160.05185	1.8
161.02415	1.1
161.05966	2.2
162.03142	0.6
163.03900	13.5
163.07574	1.4
164.04529	0.6
165.05496	1.8
167.03384	0.7
167.07033	11.4
167.08345	1.1
173.02383	0.7
173.05954	3.6
174.03072	0.5
175.03912	5.0
175.07602	1.0
176.04604	0.6
177.05464	100.0
178.05835	1.1
179.03448	0.9
179.07031	12.3
180.07809	6.0
181.08577	5.0
182.09398	1.9
183.02853	0.7
183.04373	0.6
184.05157	0.6
186.03102	1.3
186.05496	1.0
187.07602	1.4
189.01816	2.1
189.05426	1.0
189.06987	0.7
191.03421	1.9
191.07007	6.4
192.07796	3.1
195.02910	0.8
195.06503	0.8
199.03789	0.6
199.07489	1.0
201.05457	30.0
203.03395	1.9
203.07021	0.7
205.04979	1.4
207.02963	1.5
207.06474	1.9
207.08154	1.2
209.08078	22.0
210.06990	0.6
210.08673	3.0
211.07684	0.6
213.05444	2.5
215.03413	0.9
215.06934	0.7
217.04959	1.1
219.02831	1.0
219.06512	3.0
229.04939	1.3
231.06490	3.6
234.06627	1.0
235.07526	1.6
238.06154	0.6
241.04941	1.0
243.06520	5.5
251.07011	1.7
252.07780	1.1
254.05698	1.0
255.06537	1.3
262.06180	1.1
263.06970	3.8
264.07962	0.7
265.05017	0.9
265.08557	1.1
267.06494	8.9
268.07294	2.1
269.08023	0.7
275.06882	1.1
277.08585	1.3
278.05756	6.9
279.06519	13.5
279.09424	0.5
280.07034	1.2
281.04520	1.8
281.08099	2.2
282.08337	0.7
283.06079	0.8
291.06503	18.8
292.07288	3.8
293.04596	1.6
293.07983	6.5
295.05936	2.6
295.09344	0.8
296.06982	0.9
297.07559	10.4
303.06540	4.1
304.07147	1.7
305.04688	1.3
305.07974	7.0
306.08701	2.0
307.05927	2.3
307.09726	1.7
309.07556	8.1
311.05469	0.6
316.07169	0.8
317.08017	4.3
319.05917	3.1
319.09589	1.6
320.06857	3.7
321.07523	18.9
322.08276	0.8
323.05490	0.9
323.09067	1.3
325.07101	1.8
329.07877	1.1
331.09567	2.2
333.07571	7.7
334.08401	3.0
335.08984	4.1
337.06833	1.1
339.10544	2.0
340.97214	1.1
344.06873	0.8
345.07458	6.0
347.09097	1.6
348.06024	0.8
349.07004	1.9
351.08734	2.0
355.11816	9.2
357.07486	2.3
358.08072	1.1
358.98532	1.7
359.09012	2.2
361.06912	1.1
362.07779	1.6
363.08511	6.0
367.11572	2.6
369.07404	1.9
371.09015	0.9
373.06876	1.1
375.08838	4.0
381.10092	0.7
385.07092	1.1
385.12549	1.7
386.07635	1.0
387.08585	4.1
391.08038	1.3
397.13025	2.7
398.08029	0.9
399.10638	1.3
400.09091	0.9
403.08197	0.9
404.08633	0.6
405.09790	1.2
407.09210	0.7
409.12592	1.2
411.10754	1.0
412.11295	1.1
413.10071	2.8
421.09756	0.8
422.09470	1.2
423.10550	1.9
425.10040	0.7
427.10406	0.8
435.11234	0.9
439.11603	2.8
441.11816	2.7
443.11227	1.3
451.11261	1.2
455.11142	1.0
465.11569	1.9
467.11105	2.3
471.10706	2.8
483.10742	2.1
484.11194	1.1
485.12061	2.0
493.12772	1.0
495.10663	1.7
497.12314	0.7
499.15067	1.0
507.11926	0.9
509.12198	0.8
513.11493	2.0
515.13177	1.2
517.17249	4.1
521.12256	0.8
525.12555	0.6
535.12848	0.7
537.11151	0.9
539.12872	2.4
542.13855	1.3
543.15192	0.7
547.18158	1.5
563.12762	1.4
569.13501	0.9
574.04510	0.7
581.13794	1.5
592.15302	1.1
599.15277	1.4
605.16272	3.0
606.16949	2.7
616.15540	0.9
617.16492	2.3
621.15930	7.2
629.16199	2.2
633.16156	4.5
634.16492	3.6
635.17169	0.8
641.15332	0.6
645.16119	1.6
657.15674	1.2
658.16260	2.2
659.16815	2.1
663.18018	1.7
675.18512	3.2
687.17554	1.2
693.19507	4.2
700.17883	0.9
705.19366	2.0
717.18683	2.6
718.19269	0.8
723.20374	1.3
729.20197	1.0
736.19525	1.8
741.19623	0.9
747.19904	2.5
759.21045	3.5
771.20996	0.8
777.21198	1.5
783.22827	3.3
795.22595	6.5
807.22162	0.9
813.23718	8.4
825.22357	1.8
837.24109	5.3
843.22906	1.1
849.22327	1.2
867.23950	2.3
879.23407	1.6
897.24701	2.1
915.25745	1.7
1016.07117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	7.4
77.03916	4.1
79.05509	1.8
81.03410	3.5
85.02902	4.6
89.03915	9.4
91.05470	51.7
94.04202	1.8
95.04955	6.3
97.02885	2.3
98.18903	1.3
103.05450	5.6
105.03378	30.7
105.04512	3.4
105.07047	2.8
106.04166	4.3
107.04941	3.7
115.05457	2.4
115.31638	1.6
117.03369	15.0
117.06979	2.8
118.04169	3.0
119.04930	74.2
121.02897	1.6
121.06503	3.8
122.03638	2.7
124.05254	1.8
129.03375	3.9
130.04184	3.8
131.04951	5.6
132.02103	2.8
133.02840	62.7
133.06480	4.0
134.03618	5.5
135.04402	5.1
137.05965	14.3
145.02824	20.0
145.06451	3.7
146.03508	2.1
147.04401	65.5
148.05081	2.6
149.02354	3.6
149.05984	17.2
151.03873	10.0
151.07494	3.0
155.06018	2.4
157.03954	9.8
160.05267	2.2
161.05928	7.0
162.03114	7.5
163.03845	10.0
164.04550	1.7
165.01849	2.1
165.05469	6.4
167.07057	3.5
171.04393	1.5
173.05928	2.4
174.03151	1.9
175.03889	92.0
175.07515	3.0
176.04625	6.4
177.05460	41.0
177.06995	3.1
178.05975	2.2
179.07014	8.6
181.04973	9.4
181.06349	1.8
181.08517	1.4
189.01825	6.0
189.05463	5.6
190.02541	7.1
191.03386	4.3
191.06989	31.2
192.04245	1.7
193.04869	1.7
195.02953	2.0
201.05499	6.0
203.03328	2.9
203.06956	2.0
205.04942	63.9
206.05499	1.3
207.02924	4.5
207.06500	100.0
209.08038	9.0
217.04936	5.9
219.02975	2.3
219.06563	5.3
221.04448	1.8
223.05977	3.1
229.04932	2.4
231.06485	2.3
233.07990	2.0
235.07822	2.0
240.07713	1.9
245.07954	1.9
247.06006	5.8
249.07564	7.8
251.07047	4.3
252.07666	1.7
261.07538	3.2
263.06970	6.4
265.04886	3.5
265.08664	2.8
267.06470	23.6
268.07324	3.6
269.08060	2.1
278.05698	11.9
279.03680	1.0
279.06503	29.6
279.09625	1.9
280.07205	3.5
281.04486	3.4
281.08014	5.3
283.05984	2.5
291.06467	42.4
292.07135	10.7
293.04849	2.7
293.07993	12.4
295.06006	4.3
296.06805	2.1
296.34961	1.7
297.07507	16.6
303.06403	5.5
304.07266	2.5
305.04721	2.0
305.08084	15.5
306.08786	4.0
307.05920	5.2
307.09418	2.8
308.06815	3.4
309.07532	19.7
313.08557	2.3
317.08047	8.8
319.05945	4.8
319.09515	2.9
320.06836	5.4
321.07507	34.0
323.05591	2.0
323.09000	2.9
325.07129	5.0
329.08109	3.1
331.09549	4.0
333.07568	14.6
334.08368	3.8
335.09088	9.4
337.07028	2.2
339.08798	2.3
341.08020	3.3
345.07504	11.7
347.09103	1.9
349.06802	3.3
353.06555	6.2
355.11746	16.5
357.07556	5.2
359.09119	3.7
361.06940	3.5
363.08527	14.9
367.10489	9.2
369.07532	5.3
369.11813	5.1
372.06281	1.8
373.06958	2.1
375.08679	7.3
381.09506	2.5
382.08307	6.5
383.08896	2.5
384.10037	2.4
385.06546	7.1
385.11383	2.1
386.07614	1.9
387.08597	14.0
389.06693	2.1
393.09695	2.8
394.08374	1.8
395.08069	2.3
397.12286	2.5
398.07941	4.4
399.08878	6.1
401.10312	2.0
405.09631	5.6
408.09653	3.1
411.08524	7.8
412.09323	3.2
414.07004	2.5
415.07944	4.7
421.09448	1.8
422.10889	1.9
423.10190	4.5
425.10168	3.5
427.07837	24.0
428.09048	7.2
429.09467	2.6
430.10498	15.5
437.09988	4.4
439.07874	7.0
440.10120	2.1
441.10880	6.5
443.11230	72.0
444.11960	2.1
445.12820	8.5
451.12146	3.0
453.09091	7.8
454.09940	3.5
455.11301	11.2
457.13092	2.0
458.10025	3.2
459.10464	1.9
465.11685	4.7
467.11270	2.7
469.12900	19.8
471.10675	47.0
473.12292	29.8
475.82202	1.6
483.10086	2.5
483.14334	4.7
485.12024	2.8
493.12790	2.8
495.10770	2.5
497.12207	16.5
499.14319	2.7
501.11731	38.3
507.12262	2.2
509.12015	5.0
511.13602	2.7
513.11316	4.6
515.13110	2.4
517.16870	10.4
521.12238	8.0
523.10992	1.6
525.11816	35.5
527.12994	5.1
537.11316	2.8
539.13397	7.6
543.12787	7.0
549.11719	6.6
555.12781	33.7
556.12964	2.2
557.14587	2.3
567.12860	30.5
569.14008	4.0
581.13452	2.0
585.13855	20.6
603.14600	7.4
611.15350	3.6
611.82654	2.1
615.14813	1.8
621.15698	2.3
622.16296	3.3
627.14899	2.4
633.15894	14.3
635.17224	5.5
636.17499	2.6
645.15948	8.5
647.17291	3.0
649.18835	2.2
651.16290	5.3
659.17401	5.0
663.16968	38.4
664.18292	10.1
665.17084	2.9
669.15411	5.2
675.17841	2.4
687.17126	23.1
687.28027	3.0
688.17133	4.1
689.18427	2.8
693.19141	5.6
699.16418	2.6
711.16992	3.3
717.19073	11.8
729.18103	7.3
730.19055	2.8
747.19360	15.1
748.19238	2.0
749.19684	2.6
759.20813	3.2
765.20142	10.7
766.20654	4.0
777.22095	2.2
783.22540	10.4
784.22516	2.0
795.22717	10.7
813.23865	15.3
837.23578	12.0
867.24579	2.9
879.24957	3.1
897.24341	5.6
897.40698	2.0
915.26355	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	981.398
Annotation	Unknow
Peak:m/z	Relative Intensity
80.94849	100.0
85.67796	0.2
91.05470	0.2
97.28301	0.1
124.03931	0.5
147.04333	0.2
154.07889	0.2
219.18102	0.2
305.01300	0.2
350.32025	0.2
353.17105	1.0
413.19281	2.4
450.50244	0.2
473.21445	20.2
474.21869	0.9
531.17291	68.5
532.17627	1.7
587.14856	0.6
588.14508	0.3
630.44708	0.2
794.02594	0.2
893.80841	0.2
981.42194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	1.4
69.07060	1.7
73.02908	8.0
73.06552	2.7
78.99506	1.6
79.05482	13.0
81.07040	4.5
87.04459	9.9
89.06026	21.0
90.06357	1.5
91.05466	6.4
93.07041	3.8
95.04964	5.5
95.08610	2.8
96.05278	1.4
99.03258	2.6
103.05444	8.0
104.05774	1.5
105.04528	1.9
105.07018	100.0
106.07358	20.1
107.07745	2.0
107.08545	1.9
109.10181	1.8
110.32635	1.4
113.00014	3.3
113.05981	2.3
117.07012	1.3
117.09140	2.8
117.28376	1.3
119.08553	1.9
121.02835	5.1
121.04560	2.1
121.06467	3.5
127.01563	27.9
128.01910	2.8
129.06949	1.6
131.08551	5.0
133.08569	10.8
134.09029	2.5
134.10165	1.3
135.04414	3.3
137.02332	14.4
139.01523	5.7
142.67418	1.3
142.90996	1.3
147.04388	2.2
147.08052	2.1
149.02295	1.9
150.54874	1.5
151.03825	1.5
153.03093	33.0
154.03514	4.3
159.10153	1.3
161.02362	3.1
165.07162	3.1
167.03345	2.7
177.11192	3.3
179.03416	3.8
183.04143	1.5
197.05684	10.2
203.03427	1.3
224.20218	1.4
225.12750	3.8
245.04599	1.9
251.14233	8.1
252.14709	3.7
255.06389	1.8
257.04294	1.8
263.05481	4.2
267.06506	1.4
269.07806	1.4
271.06055	7.5
281.04385	2.1
282.64114	1.4
283.05972	22.8
293.08099	3.6
295.05862	1.7
297.07404	2.0
309.07452	4.7
311.05765	2.1
329.18991	4.8
330.19479	2.3
335.25674	4.0
336.87872	1.5
393.16724	2.4
395.18460	5.6
403.15369	5.7
405.16638	2.8
411.18008	2.3
421.16455	11.1
423.17950	5.6
431.14771	2.1
439.17477	7.6
447.92035	1.7
449.15817	13.9
467.16962	42.6
485.17819	2.4
541.20544	12.6
559.21979	7.3
801.41992	14.8
819.43134	10.6
879.02808	1.5
981.51746	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	981.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99781	2.1
69.07071	1.8
70.02847	1.8
77.03913	1.3
79.05482	11.7
81.03397	0.9
81.07040	10.6
83.08592	1.9
87.04483	1.0
91.04282	1.4
91.04902	2.5
91.05465	7.2
93.07027	6.5
95.04968	4.1
95.08601	6.0
97.10156	1.3
103.05461	1.3
105.03355	1.2
105.04486	0.9
105.07015	8.2
107.04935	1.7
107.08586	2.9
109.10143	2.0
117.06983	1.6
119.04929	6.2
119.08569	2.0
121.02851	25.0
121.06510	1.6
121.10149	1.5
131.08545	1.5
133.02844	2.3
133.08604	2.0
133.10112	1.8
137.02275	0.8
139.00179	0.7
145.02829	3.1
145.10127	1.0
147.04366	3.3
147.07986	1.0
149.02345	2.9
149.09616	1.0
151.03885	16.3
157.01305	4.3
157.02481	0.7
161.02255	1.0
163.03903	4.7
165.01788	1.2
167.03349	4.2
173.06020	1.1
175.03874	1.0
177.05484	0.7
179.03383	1.2
187.03850	1.4
189.05479	0.8
191.03381	3.8
201.01799	1.1
201.05518	0.8
205.04820	1.0
223.07472	0.7
225.12675	1.2
229.04959	2.3
233.04372	1.0
239.07030	2.8
243.06352	1.6
247.05888	5.9
251.07005	12.2
252.07625	1.4
253.08615	1.7
254.05458	0.7
255.06516	5.0
257.04416	38.6
265.04996	2.0
265.08630	1.7
267.06488	39.9
267.54984	0.8
268.07123	2.6
269.08054	16.1
271.05981	2.1
275.05484	3.3
277.08566	5.6
278.05698	3.4
279.06482	25.1
279.09644	1.6
280.06952	1.2
281.04745	1.2
281.08066	3.0
283.06021	10.0
285.07449	1.0
289.08640	2.3
291.06476	8.6
291.09592	1.3
292.07263	5.0
293.04944	1.4
293.08038	8.2
295.06067	7.1
297.07501	21.7
301.08606	1.1
302.09381	1.0
302.21698	0.8
305.04694	1.4
305.08133	5.6
307.06091	1.2
307.09525	1.7
309.07465	2.0
311.05475	1.0
315.10104	0.8
317.08084	1.5
318.08966	0.9
319.05911	2.2
319.09534	1.4
320.06821	4.4
321.07547	2.7
323.08981	1.2
333.07544	9.0
335.25739	13.8
357.14902	1.5
359.16446	2.4
367.13287	1.2
375.15866	10.8
377.17563	3.3
385.14313	4.0
387.15848	3.8
393.16965	3.2
403.15390	25.5
403.20764	1.4
404.15781	1.0
405.16922	6.3
413.13602	2.1
421.16415	16.0
423.17947	1.4
431.14865	49.3
432.15381	2.1
439.17444	9.2
449.15903	27.5
467.16949	100.0
468.17450	2.3
485.18073	7.9
497.21274	0.9
505.18719	5.1
523.19580	7.3
541.20605	42.0
559.21637	42.1
560.21954	1.9
757.42859	1.0
783.40527	1.4
801.41956	51.8
802.41644	1.8
819.43018	52.3
820.42657	2.1
867.07745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.484
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99776	0.9
69.03415	0.7
69.07063	2.2
71.04986	0.9
79.05484	8.8
81.07053	10.0
83.08627	2.2
86.23719	0.7
87.04448	1.1
93.07047	7.2
95.04958	3.4
95.08594	7.1
97.10172	2.6
98.23508	2.0
105.03397	1.5
105.04535	1.4
105.07028	5.7
106.07346	0.7
107.04943	1.1
107.08596	3.5
109.10184	2.5
114.22451	0.7
117.07047	1.6
119.04940	2.9
119.08587	1.8
121.01997	0.6
121.02851	16.1
121.10153	1.7
125.09691	0.7
129.07008	0.8
131.04865	1.4
131.08562	1.4
133.02831	3.5
133.08606	1.1
133.10141	1.3
135.04453	1.3
137.02362	3.0
139.60069	0.8
145.02873	2.1
147.04475	1.8
147.08020	1.2
149.02354	2.2
151.03893	23.3
163.03888	3.9
165.01903	2.0
167.03400	4.6
169.05084	1.3
177.07077	0.8
179.03473	2.1
187.03958	1.6
191.03398	4.5
201.01866	1.4
211.04085	0.8
213.05566	1.1
229.05029	0.8
230.07698	1.0
239.07124	2.0
243.06363	0.9
245.04485	1.2
247.05983	6.8
251.07001	17.0
252.07825	1.7
253.08614	0.9
255.06465	3.6
255.55127	0.8
257.04541	3.1
263.07037	0.9
264.07861	1.2
265.05069	4.2
265.08630	1.5
267.06506	35.5
268.07193	3.7
269.08051	26.4
271.06110	2.6
276.07947	1.2
277.08533	5.0
278.05740	5.4
279.06494	35.4
281.08182	2.9
283.05988	8.0
284.06345	1.2
285.07843	0.9
285.11252	0.8
287.98013	0.8
289.08524	4.5
291.06503	10.5
291.09778	1.6
292.07278	5.4
293.04590	2.4
293.08209	6.3
295.05997	10.7
295.09268	1.0
296.06985	1.0
297.07541	41.2
299.05557	1.3
301.08505	1.1
302.09302	1.0
303.10287	1.7
304.07266	1.1
305.04721	1.3
305.08017	7.7
307.06091	1.5
307.09604	1.5
317.08081	2.7
319.06104	2.7
319.09598	1.4
320.06726	7.1
321.07574	2.9
323.05573	1.6
323.09152	1.0
333.07544	14.5
334.08459	0.8
335.25812	13.5
341.11642	1.1
347.09055	0.9
357.14777	1.6
367.13464	1.7
375.15897	11.0
377.17679	1.7
385.14246	3.7
387.15915	6.4
393.17142	2.6
403.15353	35.2
404.15939	1.2
405.17041	5.3
411.18185	2.6
413.13834	3.3
421.16345	9.0
431.14862	79.6
432.15308	2.1
439.17459	20.9
449.15909	46.7
450.16367	1.1
467.16977	55.4
468.17590	2.0
485.17966	8.4
505.18411	4.7
523.19580	9.3
541.20648	45.4
542.21222	1.6
559.21667	45.1
560.22357	1.4
773.43372	1.3
783.40851	2.5
791.43549	2.0
801.42065	33.0
802.42029	1.7
819.43030	100.0
820.43695	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	981.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	1.4
69.07060	1.7
73.02908	8.0
73.06552	2.7
78.99506	1.6
79.05482	13.0
81.07040	4.5
87.04459	9.9
89.06026	21.0
90.06357	1.5
91.05466	6.4
93.07041	3.8
95.04964	5.5
95.08610	2.8
96.05278	1.4
99.03258	2.6
103.05444	8.0
104.05774	1.5
105.04528	1.9
105.07018	100.0
106.07358	20.1
107.07745	2.0
107.08545	1.9
109.10181	1.8
110.32635	1.4
113.00014	3.3
113.05981	2.3
117.07012	1.3
117.09140	2.8
117.28376	1.3
119.08553	1.9
121.02835	5.1
121.04560	2.1
121.06467	3.5
127.01563	27.9
128.01910	2.8
129.06949	1.6
131.08551	5.0
133.08569	10.8
134.09029	2.5
134.10165	1.3
135.04414	3.3
137.02332	14.4
139.01523	5.7
142.67418	1.3
142.90996	1.3
147.04388	2.2
147.08052	2.1
149.02295	1.9
150.54874	1.5
151.03825	1.5
153.03093	33.0
154.03514	4.3
159.10153	1.3
161.02362	3.1
165.07162	3.1
167.03345	2.7
177.11192	3.3
179.03416	3.8
183.04143	1.5
197.05684	10.2
203.03427	1.3
224.20218	1.4
225.12750	3.8
245.04599	1.9
251.14233	8.1
252.14709	3.7
255.06389	1.8
257.04294	1.8
263.05481	4.2
267.06506	1.4
269.07806	1.4
271.06055	7.5
281.04385	2.1
282.64114	1.4
283.05972	22.8
293.08099	3.6
295.05862	1.7
297.07404	2.0
309.07452	4.7
311.05765	2.1
329.18991	4.8
330.19479	2.3
335.25674	4.0
336.87872	1.5
393.16724	2.4
395.18460	5.6
403.15369	5.7
405.16638	2.8
411.18008	2.3
421.16455	11.1
423.17950	5.6
431.14771	2.1
439.17477	7.6
447.92035	1.7
449.15817	13.9
467.16962	42.6
485.17819	2.4
541.20544	12.6
559.21979	7.3
801.41992	14.8
819.43134	10.6
879.02808	1.5
981.51746	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	981.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	2.1
70.48328	2.1
76.39274	1.8
79.05488	10.0
81.07041	8.4
87.04454	4.6
89.04758	2.9
89.06031	6.5
91.05477	8.8
93.07052	7.0
95.04959	3.5
95.08594	3.1
103.05456	2.4
105.07011	26.0
106.07365	4.5
107.08585	3.3
117.07064	2.6
119.08641	2.3
121.02836	2.0
123.04417	2.0
127.01582	5.1
131.06938	1.8
131.08569	2.5
133.08589	4.0
135.04414	4.1
137.02344	22.7
137.03380	3.7
147.04352	2.0
149.02347	3.3
151.03865	2.9
153.03128	6.4
163.11205	3.1
167.03413	5.2
179.03358	3.4
190.61980	1.6
197.05724	1.7
213.05484	3.1
231.34219	1.8
245.04497	1.8
255.06561	3.9
257.04391	4.9
259.05890	2.7
267.06488	2.2
271.05942	24.9
273.03918	3.2
276.87250	1.8
281.07968	3.9
283.05981	66.2
283.09195	3.3
284.06485	2.3
285.07492	7.3
293.08008	5.6
295.06219	2.4
295.09357	2.4
297.07458	6.2
299.05438	3.1
305.08069	2.0
307.09616	2.4
309.07620	7.8
311.05597	4.1
311.09106	2.4
321.07727	2.8
333.07242	1.8
335.25818	16.1
375.16013	3.6
393.16599	4.3
403.15225	12.2
411.18311	2.6
421.16418	21.2
423.18152	2.5
431.15265	2.5
439.17575	14.2
449.15955	24.2
467.16974	100.0
468.17471	2.4
485.17953	7.4
523.19897	4.0
540.50250	2.2
541.20569	27.6
559.21521	21.0
791.42896	2.8
801.41986	40.7
819.29401	2.2
819.43250	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52307	0.3
69.37597	1.5
88.60751	0.3
90.63547	0.3
93.50499	0.3
107.04908	0.9
119.04850	0.4
135.04367	0.4
147.04164	0.4
163.03862	1.1
169.01320	3.5
170.01678	0.8
171.01712	0.9
181.01065	0.5
199.02107	5.0
227.00352	1.5
230.37883	0.4
239.03935	0.5
241.04961	0.5
287.05481	1.8
305.06561	1.2
306.06891	0.9
307.07144	0.5
309.03467	0.7
327.04715	52.2
328.05042	0.8
345.04715	2.7
359.02512	0.6
363.05551	0.8
368.07465	0.7
371.02621	0.6
477.03183	1.0
489.06757	0.5
503.07910	100.0
504.08289	1.3
518.52417	0.3
521.06879	0.5
613.08032	1.5
631.09167	3.8
649.10193	4.5
942.58990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01143	1.1
69.03426	1.2
69.07053	4.7
69.47570	4.3
71.08625	25.4
73.02897	4.0
73.06554	4.5
79.05474	4.8
81.07034	5.0
83.08613	1.6
85.10175	14.1
87.04459	44.1
89.06019	100.0
91.05474	12.5
93.07051	7.1
95.04941	4.9
95.08583	5.0
98.23418	2.5
103.05437	2.8
105.07013	8.9
107.04938	7.0
107.07077	3.2
107.08585	3.1
108.99686	1.1
109.10124	2.2
113.05968	2.2
117.07013	3.1
117.09129	4.3
119.04916	4.5
119.08570	4.4
121.02845	3.1
121.06493	14.1
121.10164	2.7
127.14822	2.8
129.07016	1.1
130.08594	2.4
131.07018	16.4
131.08524	2.5
133.08589	74.6
133.10165	2.4
135.08049	4.8
135.11691	2.7
145.10088	3.6
147.04401	15.2
147.08043	6.8
147.11699	1.4
149.09576	5.7
159.11670	1.1
161.11763	1.5
163.03941	1.2
163.11157	3.8
165.09071	4.0
167.10701	1.9
173.06032	1.4
173.09528	1.4
175.09645	11.1
177.11197	29.3
177.12708	1.6
184.07402	1.6
191.10629	3.7
193.12245	2.7
209.11728	3.0
211.13272	3.1
219.12242	4.9
221.13707	6.2
235.13345	3.5
247.20523	15.6
255.15929	2.0
261.22131	1.8
273.22131	5.2
274.69373	1.2
279.15891	1.3
283.17679	1.9
289.21588	1.8
289.25244	1.8
291.23132	28.1
299.18637	1.3
317.24625	3.5
333.24475	1.4
335.25735	13.9
345.82193	1.2
391.18454	1.2
393.28433	1.2
397.24222	1.8
419.18616	1.7
437.19495	3.5
441.26868	1.6
511.23593	5.4
523.38690	1.2
529.24072	1.7
583.68530	1.2
609.44873	2.2
771.44830	5.5
789.45752	7.1
866.27991	1.4
969.61694	3.5
986.45850	7.1
986.65277	9.2
987.46252	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	989.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	1.2
69.08661	3.5
73.02923	1.3
79.05502	1.4
81.03407	0.8
81.07026	2.3
85.02917	1.5
89.06042	0.8
91.03952	0.5
91.05495	0.9
93.07040	2.3
95.08642	0.8
97.02930	1.8
101.02392	1.2
105.07038	1.2
107.08597	1.3
121.02850	3.4
131.08600	0.6
135.11719	0.6
145.10249	0.5
147.04417	0.7
149.45638	0.4
151.03955	0.5
239.06964	0.7
251.07228	0.9
267.06497	0.9
276.03738	0.5
277.04813	0.8
335.16544	1.3
363.15869	0.7
379.15622	0.6
407.18512	1.0
419.14438	2.5
435.18387	1.2
447.17960	1.2
463.17468	2.7
475.17502	1.1
479.17841	0.5
493.18304	29.7
494.18817	1.0
519.29633	0.7
549.20868	3.0
621.23553	0.6
637.22949	1.2
711.26050	8.6
827.45349	1.4
858.41229	0.6
989.48535	100.0
990.49200	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	989.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.0
72.65151	0.4
73.02943	1.4
74.29676	0.4
79.05509	1.4
81.07051	2.1
85.02914	1.9
87.04454	0.5
89.06036	1.1
91.03963	1.0
91.05495	1.3
93.07055	1.7
95.04981	0.6
95.08624	1.7
97.02916	1.5
99.30379	0.5
101.02409	0.8
105.07033	0.9
107.08590	0.8
109.02847	0.5
109.10169	0.5
119.08575	0.4
121.02837	2.2
121.10174	0.8
133.08672	0.6
133.10117	0.6
135.11720	0.6
151.03835	0.6
239.07082	0.9
251.07133	1.0
260.41675	0.4
267.06635	0.6
277.04675	0.8
335.16605	0.7
335.25934	0.6
363.16153	1.0
407.18594	0.9
413.95325	0.4
418.33929	0.4
419.14651	3.3
435.18210	1.4
447.18314	1.1
453.18918	0.5
463.17517	1.9
475.17377	1.6
493.18298	31.6
494.18915	0.8
519.29303	0.8
549.20819	2.9
635.42133	0.5
637.22833	1.3
711.26019	8.1
827.44794	1.2
909.24323	0.6
989.48511	100.0
990.48999	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	991.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	19.2
69.07056	21.8
69.39804	10.7
71.04987	6.7
77.03945	3.1
79.05486	22.5
81.03405	11.3
81.07058	12.5
83.04974	70.4
85.02895	14.7
91.05480	29.8
93.07038	23.1
95.04955	23.2
95.08596	7.1
97.02889	7.0
97.06523	58.1
99.04446	14.4
103.05460	6.4
105.03404	13.9
105.04522	3.7
105.07024	68.2
107.04965	12.8
107.08588	18.0
109.02868	2.8
109.06519	13.5
115.05455	4.7
116.06228	2.4
117.06998	19.4
119.04913	3.9
119.08585	14.8
121.06503	46.8
121.10152	4.0
123.08066	2.6
125.05982	90.3
127.03872	4.5
128.06226	5.7
129.07033	10.8
130.07730	10.5
131.08571	24.9
133.06485	8.8
133.10120	7.9
135.04387	3.2
135.08055	4.5
135.11684	4.7
137.05952	7.9
141.06998	5.6
142.07689	2.3
143.07019	55.3
143.08516	11.6
144.09325	7.5
145.06456	13.2
145.10115	100.0
147.04475	2.5
147.11691	4.4
151.07561	12.1
153.06952	2.9
154.07751	6.3
155.08536	8.7
157.06480	4.5
157.10094	5.9
158.07256	15.7
159.08064	11.7
159.11673	35.5
161.05949	3.6
161.09544	4.8
163.07539	5.9
163.11180	22.4
169.10104	14.6
171.08044	3.3
171.11676	2.8
172.08812	6.4
173.06015	2.5
173.09605	76.5
173.11111	3.9
175.07478	2.7
177.12756	12.1
179.08566	2.9
181.04918	2.3
181.10129	2.0
182.07298	3.1
185.09602	3.0
187.11172	64.8
189.12769	4.7
191.03465	3.8
191.10658	26.4
197.09616	9.1
199.10989	2.3
205.12212	47.6
207.02863	3.6
207.65970	2.6
209.11609	10.5
215.10666	62.5
233.11693	46.2
251.07056	2.2
251.12779	19.3
263.07047	2.6
265.08481	4.7
267.06439	3.9
278.05688	10.9
279.06512	27.6
281.07950	5.8
291.06482	41.5
292.07190	12.3
293.08093	17.1
297.07513	13.1
303.06497	7.9
305.08066	13.6
306.08929	3.9
307.09744	3.0
309.07547	33.4
309.43655	2.5
315.06686	2.3
317.08054	6.2
319.09464	3.4
321.07544	67.2
323.09149	2.7
331.09662	8.0
333.07504	17.8
335.09097	7.9
339.08566	21.4
345.07742	11.2
347.09009	3.5
349.10736	3.1
351.08780	5.1
357.11246	2.6
359.09140	7.3
363.08606	26.0
375.08603	15.0
377.16055	4.0
387.08627	12.9
393.09711	14.9
395.16928	3.1
399.10538	4.6
405.09650	23.5
411.10843	7.7
413.13235	2.3
413.17786	11.2
417.11523	7.2
423.10651	19.5
429.09579	2.5
439.76370	2.1
441.11780	71.3
441.38577	2.0
447.10831	3.3
453.11954	2.3
459.12881	16.7
465.11966	10.0
477.11520	2.5
483.12726	6.5
489.11728	2.5
495.12650	5.6
507.12595	12.8
509.19119	2.5
513.13647	2.2
525.13879	10.8
533.16687	2.5
543.14978	10.1
551.18964	3.4
561.15686	8.6
571.19232	4.9
575.23059	6.8
589.20575	6.0
591.18671	2.8
603.97656	2.6
621.22711	2.7
655.21436	6.8
673.22925	16.2
691.23633	32.0
709.13226	3.0
709.24847	40.2
733.24738	2.7
775.25269	6.6
793.26886	10.1
811.28113	10.1
829.29016	9.3
871.28802	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	992.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	14.7
69.07067	1.4
69.54945	0.3
70.25649	0.4
71.04987	1.7
71.43304	0.4
73.02911	2.9
75.43240	0.3
79.05487	1.2
80.15602	0.3
81.03412	6.7
81.07047	2.0
83.01313	0.7
83.08632	0.6
85.02898	100.0
85.90195	0.3
86.03234	0.7
87.04462	1.2
91.03946	4.6
91.05457	1.7
93.07054	1.9
95.08604	4.7
97.02885	29.8
97.10148	0.5
99.04444	4.3
101.02353	0.4
103.03932	0.7
105.07023	2.8
107.08582	5.0
109.02871	9.2
109.10154	3.3
115.03931	0.7
117.07006	0.7
119.08559	6.1
121.06547	0.4
121.10139	4.6
123.11710	1.1
127.03909	29.7
131.08585	2.4
133.10127	5.2
135.04347	0.3
135.11690	2.3
137.09612	0.4
143.08521	0.8
145.04950	53.9
145.10107	6.0
147.11681	3.6
149.09622	0.5
149.13203	1.8
151.14696	0.4
157.10144	0.7
158.10864	0.3
159.11679	5.0
161.13239	2.6
163.06012	27.5
163.11217	1.6
163.14816	2.8
171.11661	0.5
172.12447	0.4
173.13271	2.2
175.14803	3.7
177.16379	3.7
181.07068	0.4
184.18875	0.3
185.13242	0.8
187.14801	8.8
189.16365	4.7
191.17931	1.4
199.14824	0.9
201.16367	15.7
203.14291	0.5
203.17938	8.5
205.15862	15.9
207.17427	1.3
213.16357	1.9
215.17915	0.9
219.17390	1.7
223.16919	8.1
227.17908	1.3
241.19403	0.6
247.08170	0.4
247.16927	4.4
249.18379	0.4
253.06830	0.6
271.07996	2.1
289.09134	3.0
325.11270	14.7
389.31906	1.4
407.28073	0.5
407.33109	7.4
409.34793	2.2
425.34171	3.0
427.35510	2.0
435.32520	2.9
443.35098	0.5
453.27322	0.4
453.33600	8.1
460.36981	0.3
471.34653	4.5
489.35419	0.5
504.19131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99742	0.4
69.03364	0.5
69.06992	1.1
74.72114	0.3
79.05477	6.4
81.03349	1.0
81.07050	6.5
83.01260	0.6
83.08561	0.4
85.02836	0.6
91.05470	4.8
93.07035	5.5
95.04960	2.0
95.08598	5.1
97.02803	0.7
97.06490	0.5
105.04443	0.6
105.06355	0.3
105.07011	3.3
107.04874	0.4
107.08589	2.3
109.10060	1.4
111.04335	1.0
113.33460	0.4
117.06940	0.7
119.04935	2.1
119.08468	1.3
121.02854	19.6
121.03740	0.9
121.10051	1.5
131.08455	1.2
133.10051	0.6
135.11613	0.8
136.98225	0.3
145.10042	0.6
147.04298	0.6
147.11632	0.5
153.01714	1.0
163.03825	0.7
168.00449	0.4
169.01237	0.4
177.01825	0.8
179.03336	1.8
181.01326	3.3
184.07291	0.5
186.01543	0.5
193.01329	0.8
195.02800	1.3
199.02336	3.5
203.03271	1.3
205.01231	1.4
205.04898	0.4
207.02759	1.1
209.04286	0.4
210.01480	0.6
219.02808	0.8
221.04410	0.8
223.02345	2.2
230.89693	0.5
231.02779	0.4
235.02269	0.5
241.04904	0.7
245.04503	0.5
257.04297	1.6
269.04315	0.6
271.05875	0.6
272.10071	0.4
283.05972	4.5
285.03793	1.3
286.04645	5.5
287.05457	16.5
293.04437	0.8
295.05997	2.0
297.07431	0.5
298.56934	0.4
299.05469	34.2
300.06018	1.2
307.05963	1.0
310.04666	13.0
311.02029	0.7
311.05457	11.9
311.09036	0.7
312.05978	0.8
313.03345	1.1
313.06918	7.2
315.04837	0.9
317.13721	0.5
321.07452	0.9
323.05457	14.4
324.06290	2.0
325.06995	5.1
326.07639	0.4
327.08487	2.3
335.25760	5.2
336.06314	0.6
337.07034	2.3
339.08542	1.4
341.06329	0.5
351.08444	1.4
353.06436	2.9
353.10199	0.5
355.07980	1.5
363.08386	0.6
388.27576	0.4
407.14813	3.1
408.15411	0.4
433.16061	1.0
435.14362	14.4
436.14606	0.7
451.17487	5.2
453.15515	0.9
461.15921	1.8
479.16956	100.0
480.17224	3.0
497.17917	4.3
517.18713	0.6
535.19354	0.4
553.20618	10.8
571.21661	36.6
572.22162	1.1
725.07764	0.4
813.41943	11.5
814.42419	0.8
831.42969	80.0
832.42761	3.1
890.58368	0.4
914.54553	0.4
992.51605	0.5
993.50354	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	993.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03387	0.5
69.07007	1.4
69.38589	1.9
79.05482	5.4
79.35419	0.4
81.03415	2.7
81.07040	4.9
83.04908	0.6
85.02849	0.5
87.04398	0.6
89.05984	0.5
91.05470	4.1
93.07031	5.3
95.04956	1.9
95.08590	3.6
98.23531	0.4
103.05436	0.5
105.04475	0.9
105.07016	3.1
107.04973	0.4
107.08514	1.4
109.10075	1.2
117.06953	0.5
119.04925	2.1
119.08511	1.2
121.02831	2.5
121.10127	1.0
123.00753	0.9
131.08504	0.6
139.00194	1.3
141.01746	0.4
163.03806	0.5
168.00577	0.8
169.01248	0.9
214.16046	0.4
241.04955	2.3
244.93175	0.4
255.06548	0.5
257.04401	10.5
269.04437	3.7
270.05188	1.0
271.05817	0.6
273.03915	0.6
283.05951	1.5
285.03867	6.6
286.04669	8.0
287.05444	64.7
288.05606	0.8
295.05997	0.7
297.03928	1.5
297.07385	0.5
299.05374	1.0
311.05466	1.6
313.06967	2.3
323.05612	0.8
325.07037	1.0
335.25775	6.4
353.84116	0.4
389.35648	0.5
394.58990	0.5
407.14734	0.8
431.09482	0.4
435.14160	1.3
451.17447	21.0
452.17429	0.4
461.15552	0.9
479.16940	100.0
480.17310	2.6
497.17972	2.5
507.27237	0.9
508.27637	1.2
535.19830	0.8
553.20593	11.5
554.20862	0.6
571.21661	18.9
572.22064	0.5
601.36938	0.4
813.41870	15.9
814.42389	0.7
831.42950	54.4
832.43372	2.6
992.55988	0.9
993.43127	9.9
994.44745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.5878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24454	0.3
69.24843	0.5
73.02921	0.3
73.06558	0.8
77.03943	0.6
77.49336	0.1
79.05483	4.5
87.04457	100.0
88.04798	0.3
89.06020	4.3
91.05466	1.9
93.07034	0.3
95.04954	2.7
101.57362	0.2
103.04777	0.2
103.05453	4.1
105.04583	1.1
105.07017	69.9
106.07368	0.9
113.06002	0.2
115.07575	0.2
116.06211	0.3
117.06987	0.3
117.09138	0.9
119.08576	0.4
121.06506	1.7
129.06995	0.6
129.07881	0.2
131.07039	4.3
131.08537	4.9
133.08583	3.1
133.10107	0.3
145.06447	0.4
147.08026	1.8
149.09586	0.5
161.11714	0.4
165.06990	0.3
165.09036	0.3
166.07756	0.2
175.09642	1.6
177.11185	1.0
181.10120	0.3
191.10637	0.3
192.09320	0.2
193.10587	0.4
193.12277	0.2
209.13242	0.2
219.12254	5.7
221.13762	0.3
223.11160	0.9
225.12703	4.3
225.14781	0.3
227.12656	0.4
237.12875	0.2
249.12769	0.4
251.14278	8.5
253.15924	2.2
263.14816	0.8
267.13742	0.2
269.15451	1.1
271.15298	0.4
295.16727	0.5
311.16376	0.4
313.17911	0.6
315.17688	0.2
321.28821	0.2
327.17331	1.9
329.18958	9.2
330.19073	0.4
353.18771	0.5
355.20309	0.3
357.20694	0.3
370.08435	0.2
371.19843	0.5
373.21558	3.2
375.21542	0.2
401.22849	0.2
415.22504	0.3
417.23950	0.2
419.24265	0.2
431.23233	0.2
433.25076	0.2
477.27826	3.3
769.42920	0.2
832.42749	0.3
994.58722	5.1
995.57745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6094
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07031	0.4
71.04996	0.8
73.02898	1.8
73.06221	0.4
73.06561	4.2
77.03906	1.4
79.05051	0.5
79.05487	9.7
80.05799	0.4
81.07061	2.1
83.04933	0.3
87.04459	5.0
89.06025	14.1
91.05475	15.5
93.07040	3.2
95.04960	6.3
95.08584	1.5
103.05467	9.2
103.07571	65.2
105.04573	2.2
105.07021	100.0
106.07372	0.9
107.04943	2.8
107.08590	0.5
113.06003	0.8
115.05455	1.2
115.07558	0.6
116.06237	0.8
117.07001	2.4
117.09136	5.6
119.04911	2.2
119.08569	7.6
121.02855	5.6
121.06499	13.3
121.10187	0.4
122.03217	1.0
128.06226	2.5
129.06979	4.3
131.07088	2.5
131.08559	10.2
132.05725	1.3
133.06477	0.7
133.08601	11.8
133.10143	1.6
135.08032	1.1
141.03151	0.3
145.06483	1.6
147.08047	46.8
147.10121	28.9
148.08366	0.6
149.09610	12.1
153.01910	0.6
155.06052	0.6
159.10248	0.7
161.11754	1.8
163.07491	0.6
163.11214	0.5
165.07010	0.7
165.09138	0.7
165.11220	0.5
166.07762	0.7
173.09653	1.3
175.09665	1.8
175.11151	0.7
177.11185	4.4
179.08614	0.6
181.01353	1.5
181.10068	1.9
184.07344	0.7
186.16252	0.4
191.10664	0.9
191.12825	1.6
193.10336	0.4
193.12267	0.7
199.02374	0.6
203.03526	0.4
203.12863	0.4
205.01338	0.5
207.11732	0.5
209.09592	0.4
209.11542	0.4
219.12209	0.5
221.13913	1.0
222.10406	0.5
223.02448	0.5
223.11185	3.4
225.12723	34.0
226.13135	0.5
235.15216	0.8
237.12929	0.8
249.12733	5.7
251.14384	4.4
257.04626	0.5
267.13840	1.1
269.15286	2.9
283.05972	0.6
286.04681	1.9
287.05496	3.6
288.05933	1.7
295.06042	0.4
295.17123	1.0
299.05524	8.0
299.08679	0.3
299.18750	0.6
299.22079	0.3
300.05850	3.5
310.04633	3.0
311.05258	4.4
311.16501	1.2
312.05853	1.5
313.03601	0.5
313.07117	1.4
313.18042	1.4
314.07565	0.8
320.87115	0.4
323.05417	3.0
324.05884	1.7
325.06900	2.0
326.07486	0.4
327.17505	1.5
329.19165	1.3
335.26022	1.2
336.26138	0.6
337.06699	0.4
338.07660	0.5
339.19528	0.4
354.07193	0.7
355.20490	0.5
373.21588	10.1
408.15463	0.8
415.22879	0.5
435.14368	2.3
436.14578	1.9
451.17719	0.6
452.17517	0.8
479.17007	16.5
480.17337	14.8
481.17871	0.7
497.18234	0.6
498.18484	0.5
553.20459	2.0
554.21283	2.5
571.21649	6.9
572.21942	9.0
603.86737	0.4
814.42310	4.4
831.43109	3.6
832.43311	28.2
833.43823	1.5
869.39679	0.4
943.82013	0.4
977.59259	0.5
994.60968	14.2
994.81665	0.9
995.61981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6093
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04971	0.9
73.02904	2.5
73.06544	2.5
77.03920	1.9
78.32156	0.7
79.05486	11.2
81.07045	2.5
87.04462	4.7
89.06023	12.1
91.05468	17.5
93.07031	3.2
95.04960	7.2
95.08598	1.8
100.01341	0.7
103.05470	11.3
103.07573	47.3
103.50708	0.8
105.04572	1.5
105.07021	100.0
106.07357	1.1
107.04940	3.4
109.10161	0.7
116.06234	1.2
117.06993	2.3
117.09103	4.5
119.04934	2.3
119.08566	7.5
121.02876	5.4
121.06503	10.0
128.06200	2.5
129.07007	6.4
131.07018	1.8
131.08560	9.9
132.05716	1.7
133.06427	1.0
133.08595	8.6
133.10126	1.1
145.06427	1.9
147.04373	1.2
147.08046	42.8
147.10107	20.1
149.09604	7.7
161.11716	0.9
177.01700	0.8
177.11230	3.2
181.10077	1.8
184.07248	0.7
191.12805	1.6
199.02414	1.2
209.13501	0.8
221.13750	0.8
223.11172	2.0
225.12727	23.3
249.12657	2.9
251.14304	3.0
258.63568	0.7
269.15323	2.1
286.04672	1.4
287.05450	5.0
288.05804	1.7
299.05508	6.0
300.05783	2.9
310.04767	1.7
311.05499	3.5
313.07101	1.3
323.05444	2.5
324.06055	1.0
325.07050	1.0
327.17606	1.1
329.18765	0.8
335.25842	1.4
373.21719	8.2
413.24164	0.9
435.14236	1.8
436.14893	1.5
451.17444	1.1
479.16965	15.5
480.17319	14.9
509.57507	0.7
553.20380	1.6
554.21021	2.1
571.21710	4.2
572.22302	4.9
814.41675	2.3
831.43109	4.1
832.28076	1.1
832.43445	23.0
833.43439	1.6
994.58813	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	996.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42914	0.3
69.43305	0.6
73.02901	0.7
73.06558	1.3
77.03922	1.0
79.05486	5.8
87.04462	6.4
89.06023	33.6
91.05476	3.0
91.68113	0.2
93.07011	0.3
95.04959	4.1
103.05453	5.7
105.04599	1.5
105.07021	100.0
106.07388	0.3
107.04964	0.5
107.06999	0.4
113.05996	0.4
115.05463	0.3
116.06198	0.4
117.06996	0.4
117.09128	1.5
119.08575	0.5
121.06487	2.4
125.98281	0.2
128.06200	0.3
129.07033	1.3
131.07065	2.5
131.08553	6.5
133.08594	22.6
147.08028	2.3
149.09573	0.5
157.08562	0.3
161.11685	0.5
165.06944	0.3
165.09012	0.3
166.07695	0.3
169.10274	0.2
173.09633	0.5
175.09715	1.3
175.11015	0.4
176.37538	0.3
177.11195	8.4
181.10071	0.4
219.12170	0.6
221.13730	1.9
223.11201	0.6
223.15269	0.3
225.12726	5.6
227.12794	0.4
249.12871	0.4
251.14308	11.6
253.15900	3.2
255.15723	0.3
257.66010	0.2
265.16382	0.4
267.13794	0.7
267.17703	0.4
269.15424	1.2
271.15332	0.3
283.17413	0.3
295.16876	0.3
311.16354	0.5
313.17938	1.1
327.17209	1.8
329.18973	10.2
330.18869	0.3
353.18582	0.4
355.20300	0.3
357.20383	0.3
371.19617	0.3
373.21558	3.7
417.23895	0.5
419.24149	0.4
433.24976	0.4
477.27866	4.0
640.08997	0.2
669.61829	0.3
804.82605	0.3
849.24585	0.2
875.50446	0.5
996.57678	1.0
1017.10651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97620	0.4
71.04974	0.2
73.02917	0.8
73.06544	1.5
77.03917	1.1
79.05482	6.3
84.42937	0.2
87.04461	7.5
89.06022	37.8
91.05466	2.9
93.07053	0.4
95.04958	3.8
95.05527	0.3
103.04765	0.3
103.05455	5.8
104.47956	0.2
105.04585	1.3
105.07019	100.0
106.07372	0.6
107.07079	0.7
113.06012	0.4
115.05440	0.3
115.07609	0.2
116.06225	0.3
117.07003	0.4
117.09122	1.6
119.04944	0.3
119.08588	0.7
121.06497	3.0
129.07001	1.1
130.08641	0.5
131.07066	2.6
131.08548	6.2
133.08592	28.5
133.10190	0.8
145.06505	0.4
147.04437	0.2
147.08035	2.2
149.09621	0.8
157.08612	0.2
161.11681	0.7
165.06993	0.2
165.09132	0.4
166.07735	0.3
173.09608	0.5
175.09666	1.8
177.11200	10.3
179.08539	0.3
179.12733	0.3
181.10162	0.5
182.50928	0.2
191.10692	0.3
193.12241	0.3
203.12714	0.2
207.11731	0.3
209.11690	0.3
219.12244	0.7
221.09750	0.3
221.13802	2.0
223.11186	0.9
225.12724	6.4
227.12781	0.6
235.14896	0.4
238.25136	0.2
239.14890	0.4
249.12762	0.8
251.14290	13.5
253.15916	3.9
255.15944	0.3
265.16431	0.5
267.13815	0.5
267.17764	0.2
269.15305	1.9
271.15274	0.4
277.15741	0.2
283.17505	0.5
295.16858	0.7
309.19180	0.2
311.16565	0.9
313.17969	1.4
327.17291	2.7
329.18964	13.4
353.18634	0.5
355.20358	0.6
357.20483	0.5
371.19971	0.6
373.21609	4.4
375.21631	0.2
397.24341	0.3
401.22662	0.3
403.23969	0.2
415.22153	0.2
417.24106	0.4
419.24112	0.3
463.26392	0.3
477.21429	0.3
477.27838	5.3
525.85779	0.2
622.12744	0.2
771.44366	0.4
868.79071	0.2
875.51031	0.5
979.56976	0.3
996.61133	0.9
1034.40674	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	997.6241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.2
70.06585	0.2
71.07366	2.5
81.07053	0.3
86.09702	25.7
87.06426	0.1
98.98449	2.4
104.10727	2.7
104.11371	0.2
123.37304	0.2
124.99998	18.3
133.04805	0.2
133.60585	0.2
184.07332	100.0
185.07701	0.4
238.49529	0.2
240.30551	0.2
283.54794	0.2
337.27298	0.3
502.32919	1.9
520.33960	19.5
521.34070	0.7
616.83179	0.2
860.47314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.293
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	0.5
72.99313	0.5
73.02998	0.4
73.70391	0.3
75.00864	0.5
77.05714	0.3
85.02959	1.4
95.01401	1.4
97.02958	0.9
98.21912	0.8
99.00883	6.2
104.56715	0.4
111.00900	2.8
113.02448	2.4
117.03502	0.5
119.05014	2.1
123.00900	4.2
123.04559	1.1
139.00372	3.0
141.01952	52.7
143.05035	0.4
145.06680	0.6
153.01991	0.4
163.07663	0.5
166.18741	0.4
175.02444	0.6
188.04819	0.6
189.05699	0.4
193.03632	0.8
201.05690	0.4
225.09283	0.4
226.09991	1.5
227.10864	0.6
232.07454	0.6
233.08347	0.4
239.07184	1.1
241.12254	1.8
253.08743	2.0
254.09482	5.4
263.09293	0.7
267.13931	0.5
269.04565	3.0
269.11823	2.4
270.12488	0.6
280.11047	0.5
283.09781	0.7
285.04169	0.5
285.15088	1.0
287.05634	17.0
287.12732	0.5
287.27811	0.4
288.05948	0.6
297.07813	0.6
297.11237	0.7
298.08517	2.3
298.12006	11.1
313.10797	2.0
313.14517	1.3
314.11600	0.5
315.12546	0.4
317.05118	0.5
329.14032	0.8
331.11813	1.7
331.15619	1.2
341.10364	0.8
342.11072	12.2
357.13409	2.4
359.11426	0.7
368.51068	0.4
374.13666	2.5
375.14490	100.0
376.14792	3.0
463.08868	29.5
464.09103	1.0
473.82425	0.4
537.19818	94.1
538.20026	3.3
940.96106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	15.2
72.99323	1.0
73.02954	4.5
75.00872	2.2
83.01399	2.4
85.02954	15.6
87.00883	1.8
89.02448	3.1
94.39016	0.5
95.01387	4.1
99.00900	4.7
101.02458	7.1
103.00391	1.5
110.00130	1.6
111.00900	0.6
113.02467	21.3
115.00384	0.7
117.01912	0.7
119.03546	0.9
120.99651	0.5
129.01941	1.0
136.34940	0.5
136.98824	1.2
159.02931	0.6
161.04558	1.2
163.00385	1.0
165.99066	2.4
175.02493	8.0
189.12907	0.6
200.04836	2.0
211.03973	0.7
212.04903	0.7
227.03542	1.2
239.03516	1.0
255.03017	1.4
256.03821	1.1
259.20657	0.9
275.20172	1.2
277.21729	3.2
283.02484	2.0
284.03284	69.3
285.03799	3.1
299.05634	51.3
300.05923	1.3
303.19757	1.3
321.20801	3.8
340.99600	0.5
347.18579	0.6
361.16742	0.8
365.19720	3.3
371.24188	0.5
463.08722	1.3
475.08853	20.7
483.26053	6.6
489.10367	1.5
527.25012	100.0
528.25378	3.2
541.23071	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	1005.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00783	0.4
117.03442	5.6
136.98824	0.4
145.78711	0.5
151.00343	0.4
153.01926	0.6
154.04251	1.8
178.99826	2.5
198.03270	0.9
210.03241	0.4
223.04166	0.5
226.02728	8.8
235.04057	0.8
237.60764	0.5
238.02713	1.2
254.02238	3.6
258.01648	0.9
265.01321	0.4
266.02148	1.2
268.03827	0.6
269.01794	0.9
269.04556	11.7
270.04868	0.4
295.06155	0.8
297.04050	100.0
298.04309	4.7
299.04831	0.7
312.06430	16.8
313.06693	0.7
327.08749	93.9
328.09061	4.6
329.09326	1.0
358.57050	0.4
376.92365	0.5
407.04437	95.8
408.04846	4.9
409.04388	3.1
455.35202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80959	0.8
72.24314	0.2
81.35877	0.2
82.17961	0.2
83.01390	0.4
85.02944	0.2
85.99318	0.2
95.01389	1.0
96.99326	0.2
99.00872	0.3
100.63400	0.2
107.01361	0.2
110.00092	0.3
111.00883	6.9
117.03538	0.3
121.02943	0.3
123.00894	1.7
124.29449	0.2
125.02421	0.8
133.02950	1.4
134.03764	0.2
135.04541	2.5
136.98792	1.4
139.00386	8.2
145.02930	0.3
148.09709	0.2
149.02441	0.9
151.00420	1.2
159.04492	0.6
161.02466	1.8
164.98262	1.1
165.01971	0.5
165.99084	0.4
166.99870	4.4
171.04503	0.3
175.04054	0.4
177.01939	1.4
178.99834	0.6
181.13292	0.2
183.04523	0.9
185.02409	0.6
185.06140	0.6
187.04028	0.7
189.05518	0.6
193.01411	0.4
195.04431	0.3
199.03972	0.5
201.01877	0.6
201.05598	1.3
203.03430	0.3
203.66438	0.2
211.03996	1.6
213.02031	0.3
214.02667	0.4
215.03551	1.1
226.36909	0.2
227.03510	0.7
229.05049	0.5
231.02997	0.3
233.04518	1.0
239.03419	1.0
241.01454	0.4
255.02968	1.1
257.04529	0.5
259.02484	0.7
271.02472	0.2
273.03992	0.3
283.02536	0.9
299.01999	5.5
300.02368	2.3
301.03543	100.0
302.03903	1.9
338.10431	0.3
378.97543	1.2
379.98123	0.8
380.12332	0.3
380.99243	43.7
381.99554	0.6
623.19879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70763	0.3
72.99250	0.3
79.78846	0.3
110.00106	4.9
110.28980	0.4
113.02432	1.2
117.03499	0.9
119.05030	1.9
120.99525	0.4
136.98830	1.8
137.99597	0.5
139.00444	0.7
143.04985	0.5
156.05814	0.4
157.06639	0.7
159.04497	0.8
161.02483	0.4
163.00414	1.8
164.01141	0.5
164.98267	0.5
165.99084	4.3
167.05048	0.4
171.04602	0.6
175.02496	0.5
179.77853	0.4
183.04637	0.7
185.06117	1.5
187.04007	0.8
190.99947	0.4
195.04524	0.9
197.05882	0.4
199.03970	0.5
200.04793	2.2
211.03998	2.3
212.04637	0.6
213.05591	1.8
227.03513	2.2
228.04251	0.7
235.58293	0.4
239.03484	4.9
240.04230	0.9
241.04973	1.1
253.05046	0.7
255.02998	4.6
256.03809	1.2
257.04471	0.5
267.02945	1.9
269.04517	0.5
281.04593	5.3
283.02499	5.1
283.05515	0.7
284.03284	66.2
285.04059	76.1
286.04446	1.2
297.04099	0.9
299.05618	2.9
429.08368	4.8
447.09360	42.6
448.09433	0.6
475.08926	1.3
489.10443	100.0
490.10645	1.7
560.58667	0.4
870.46808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16978	0.5
80.43472	0.3
82.59976	0.2
84.76538	0.3
93.03491	0.5
95.75354	0.3
96.89217	0.2
98.22543	0.3
101.03971	0.6
109.02950	0.3
114.12666	0.2
117.03477	2.1
119.05045	0.7
121.02959	2.2
124.76232	0.2
131.69928	0.3
133.02943	0.4
135.04529	1.1
137.02451	3.9
144.26788	0.2
145.02971	4.3
148.59953	0.3
149.01262	0.5
149.02452	7.9
152.01138	0.9
161.02452	1.2
162.95930	0.3
163.04024	4.7
164.04816	4.9
165.01942	18.5
169.05075	0.4
171.00880	0.3
173.02446	10.5
179.03493	2.3
179.07060	1.2
180.04285	9.0
186.03323	0.4
188.01036	0.3
189.01950	4.7
193.01421	5.3
194.05891	0.5
195.06633	8.3
208.03770	7.7
210.05365	1.6
217.01418	2.8
219.08122	0.5
223.06119	15.8
225.05634	0.5
225.07698	6.4
233.06227	0.3
235.07623	0.9
247.07610	0.4
248.04808	0.3
261.05734	0.4
262.06268	0.3
263.07068	1.4
290.05884	1.6
291.06653	7.8
297.04001	0.6
301.05145	0.7
319.06116	100.0
320.06393	1.3
327.08713	0.7
407.04492	0.5
439.10352	42.3
440.10849	0.8
449.14526	0.5
530.59882	0.3
559.14893	1.8
597.40503	0.3
931.14563	0.4
1009.29742	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	1009.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	1.4
89.02436	1.1
98.22572	0.3
98.92879	0.2
101.03970	1.6
111.49354	0.2
113.02463	0.7
116.76754	0.3
117.03484	0.8
121.02957	1.4
135.04526	0.9
136.98805	0.3
137.02441	1.3
145.02965	3.0
149.02441	3.2
152.01198	0.3
161.02455	0.9
163.04068	1.4
164.04819	2.3
164.98265	1.0
165.00533	0.4
165.01932	7.3
173.02443	12.7
179.03549	1.0
179.07120	0.3
180.04295	3.5
189.01939	14.3
193.01410	1.9
195.06615	3.0
199.00427	0.7
203.03546	0.4
207.08205	0.7
208.03734	2.8
210.05322	0.7
217.01414	0.8
217.06590	0.3
218.07344	0.3
219.08179	0.6
223.06102	4.3
225.07663	1.9
234.06802	0.3
235.07639	0.8
243.06581	0.4
245.06175	1.4
246.06761	1.1
247.07657	7.2
253.05382	0.2
263.07132	1.2
269.04562	4.1
271.06094	0.9
277.05099	0.6
291.06644	25.3
297.04092	1.6
298.04425	0.5
301.05063	6.9
319.06116	48.1
320.06393	0.6
327.08722	1.4
328.08829	0.3
331.06155	0.6
343.06226	0.3
349.07199	1.0
407.04633	1.8
408.04895	0.4
409.03979	0.3
428.24106	0.2
439.10355	100.0
440.10608	1.9
445.08011	0.3
468.77371	0.2
469.11426	0.3
559.14838	1.5
563.18311	0.3
1009.30536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77635	2.0
55.01899	9.2
57.03456	73.1
58.03807	2.2
59.01386	32.0
61.98840	26.6
68.16445	1.7
68.99826	2.9
69.74301	5.4
71.01386	6.0
73.02958	51.8
83.01431	4.3
97.16852	1.7
101.02458	100.0
101.06102	4.2
102.02782	3.2
102.05617	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	101.0246
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
51.74585	1.7
55.01878	15.3
57.03453	98.3
58.00591	3.0
59.01386	37.2
68.99808	3.4
71.01380	7.6
71.18499	2.5
73.02953	65.3
83.01394	8.5
84.04557	16.7
84.95110	3.7
100.93379	3.6
100.94621	92.9
100.95203	8.7
101.02454	100.0
102.02836	3.0
102.05619	85.0
115.92101	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	1010.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25454	0.5
71.01396	0.6
78.17511	0.6
79.95744	2.9
80.05064	0.6
81.03480	2.9
82.02989	3.4
83.01402	2.1
83.05041	0.8
85.02946	1.2
86.02494	2.8
87.00864	1.5
93.03465	3.2
94.02991	3.0
95.01400	6.0
95.05039	1.5
96.00925	1.3
96.04558	1.4
96.99329	0.6
97.02950	4.1
98.02478	2.5
99.00886	1.4
100.04089	0.7
106.02985	0.6
107.05048	2.0
108.02184	1.0
108.04561	2.6
109.02967	10.9
110.00118	1.9
110.02493	6.9
111.00886	3.5
111.04534	2.1
112.04087	0.9
113.02459	2.1
114.01986	2.8
115.05551	4.7
117.03483	1.1
117.07105	0.9
118.03003	5.2
119.01398	0.5
119.05045	1.2
121.02987	1.1
122.02509	0.9
122.03761	1.0
123.00925	1.2
123.04533	4.3
124.01691	0.8
124.04047	5.9
125.01199	2.3
125.02502	2.9
125.99539	0.6
126.01974	7.9
126.02823	0.8
127.00375	0.9
127.05550	2.1
131.05038	15.3
133.02956	2.4
133.06604	4.2
134.02487	0.8
135.00914	0.7
135.04532	2.0
136.04062	8.2
137.02461	7.6
138.01987	10.5
138.03058	0.8
138.05617	0.9
139.00400	1.9
139.04025	7.7
140.03532	1.9
141.07146	1.4
143.05058	3.5
145.06613	2.3
147.03470	1.0
147.04544	8.0
147.08162	1.9
149.02458	1.9
150.05605	3.4
151.00371	1.5
151.03987	4.6
152.03548	4.7
153.01974	2.4
154.01451	0.9
154.99805	1.3
155.08675	1.0
156.03014	0.6
157.06602	2.4
159.04526	0.8
161.02493	6.9
161.06097	41.2
162.01974	24.1
164.03549	13.1
165.01826	0.8
165.99075	1.1
166.01372	0.5
166.05101	2.2
167.03542	1.7
167.08699	1.8
168.02998	3.2
169.06639	2.0
171.04515	2.2
171.08237	0.6
173.06055	3.2
176.03500	3.2
177.01953	1.2
178.01418	0.6
179.03629	0.5
180.00642	1.0
180.03036	24.4
181.01363	0.8
181.03680	0.7
181.06631	0.6
182.00931	0.6
182.04579	3.5
183.08145	3.7
184.05338	0.7
185.06133	4.5
185.09766	1.6
187.04068	1.4
187.07660	1.1
189.02023	0.8
189.05609	1.7
192.03104	1.5
193.01357	0.6
194.04596	21.2
195.03076	0.8
195.08131	3.4
197.06108	1.5
197.90047	0.5
199.07675	1.2
201.05594	7.3
201.09305	0.6
202.05106	0.7
202.30664	0.5
203.07236	1.2
204.02997	0.5
204.06682	0.9
209.09695	2.6
210.04054	0.7
210.06998	0.6
211.07657	3.2
211.11288	1.7
213.05579	3.0
213.09129	3.4
215.07170	3.4
224.02020	7.9
225.02931	0.6
225.05513	0.9
225.09276	1.4
227.07178	6.0
227.10800	1.5
229.05060	16.2
235.07724	0.9
237.05684	0.5
237.09209	5.2
238.03566	2.3
238.08754	1.1
239.07187	7.5
241.05118	5.8
243.06580	0.7
252.10153	0.5
253.08740	4.4
254.08360	1.4
255.06747	1.9
255.10310	4.1
256.06161	3.6
263.07141	0.9
265.05133	0.7
266.05957	1.0
268.09821	0.6
270.11270	0.7
271.05942	0.9
271.09647	0.7
277.94083	0.6
278.08322	1.3
279.06854	0.9
280.09869	3.2
281.08246	10.1
282.07782	3.8
283.02505	2.2
283.06116	6.6
284.03363	2.6
285.04016	2.2
296.09290	4.5
297.04010	1.0
298.04755	1.7
298.07800	0.6
298.10864	2.0
299.05591	2.8
299.09247	10.2
300.08920	1.6
306.07791	0.6
313.07248	3.9
314.10382	2.3
324.08780	11.6
326.06805	2.9
327.07629	3.2
340.08450	0.9
342.09833	12.9
368.07932	2.5
384.10892	2.4
385.11255	2.2
386.08829	100.0
387.09079	2.3
393.02829	5.5
611.14514	1.4
612.14362	0.6
623.19818	9.0
624.20050	3.1
625.20099	1.2
1022.57446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	5.4
74.53391	2.9
77.39720	3.0
81.17977	3.0
82.67963	2.5
83.01408	3.8
83.22829	2.6
93.03484	6.6
94.34861	2.6
94.56783	2.6
95.01362	3.1
95.05013	5.1
101.02452	5.5
102.48168	2.6
109.02991	3.3
117.03471	6.4
119.05044	64.1
135.04585	5.1
143.05040	9.7
145.02959	8.8
149.02480	4.8
185.11830	4.9
191.10834	4.1
221.11800	11.3
223.13516	3.2
237.14969	5.6
245.11858	6.6
247.13428	5.7
263.12930	10.6
263.16595	4.0
271.13434	7.7
277.21756	45.2
289.14398	9.8
349.58893	3.1
422.59686	3.2
725.41925	4.0
803.46625	6.1
819.45319	4.1
829.44141	8.5
847.44891	100.0
847.61133	5.4
931.47565	5.8
949.49725	27.7
967.51263	14.7
993.48181	12.2
1011.49316	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	1013.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03059	1.4
70.78317	0.5
71.01375	1.5
73.02959	0.7
77.88626	0.4
93.03457	0.6
95.01376	0.8
95.05025	0.5
100.17341	0.6
101.02439	0.9
101.46702	0.4
107.05062	0.8
109.02968	0.6
115.05479	0.5
117.03479	1.0
119.05040	2.5
121.02963	1.0
123.04531	0.6
131.05028	0.8
133.02969	0.7
134.03690	0.5
135.04523	2.7
135.90506	0.4
137.02464	0.9
145.02975	1.6
145.06558	0.6
147.04536	2.2
148.01698	1.3
149.02457	9.8
149.06076	0.8
158.03751	0.5
159.04512	1.0
161.02438	3.3
161.06099	0.8
162.03224	3.1
163.02724	0.8
163.04018	10.0
165.01927	1.8
171.04558	0.8
171.08249	0.5
173.02495	1.1
173.06067	5.4
175.00473	1.1
175.04010	2.4
176.01149	2.2
176.04771	0.7
179.03467	0.7
180.04272	1.4
185.02531	0.5
189.01926	3.9
190.02728	6.3
191.03513	16.9
195.06577	0.8
201.01941	0.6
203.03493	3.3
204.04266	3.4
205.05063	2.1
213.09285	0.6
214.02745	5.0
215.03503	0.7
217.01416	1.5
217.04945	0.6
221.04533	1.2
223.06056	0.7
232.03795	1.3
233.04562	1.4
249.09294	1.0
263.07330	3.0
267.10172	0.9
269.08209	0.7
277.08701	5.0
279.10321	0.7
281.08194	14.8
281.11301	0.9
283.02457	1.2
283.05560	0.5
283.09668	0.8
293.08218	8.2
294.09244	0.5
295.09781	5.3
305.08188	1.9
307.09778	1.6
321.07745	0.7
322.08441	0.9
323.09259	100.0
324.09705	1.2
325.10782	0.7
335.09286	4.4
336.09918	0.7
337.10876	2.8
347.09027	0.6
353.10315	42.0
365.10303	28.6
365.14935	1.2
367.12030	0.7
377.10300	1.0
383.11423	2.0
395.11371	12.5
407.11432	1.2
425.12454	7.5
437.12683	0.6
443.13486	47.9
444.13464	0.7
455.13477	0.9
467.13589	1.1
473.14630	13.0
485.14478	1.7
545.16760	3.2
563.17706	6.8
729.25757	5.1
759.26648	2.3
773.25159	0.7
785.25055	1.1
849.30084	1.7
879.30731	2.0
893.28711	3.2
923.28912	1.4
995.33893	0.7
1013.33423	1.6
1013.51416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
80.44458	0.3
113.02473	0.5
117.03481	0.5
124.01646	0.8
133.02959	1.3
135.04524	0.6
136.98827	2.0
152.01216	2.0
161.02472	3.8
164.98296	4.7
178.99760	0.4
180.00627	2.4
183.04547	0.8
185.02522	0.6
205.01471	0.4
211.03993	0.5
237.07138	0.3
255.03011	6.1
269.04538	2.0
283.02499	59.1
284.02802	0.8
292.77664	0.4
297.04022	1.8
298.04846	38.1
299.05249	0.7
313.07193	100.0
314.07541	1.6
321.00122	0.4
338.72757	0.3
379.60239	0.3
393.02893	82.9
394.03146	1.0
623.19910	1.5
769.25555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
75.20277	0.2
79.95305	0.3
79.95745	5.2
81.03435	0.2
81.33807	0.2
82.00600	0.9
90.30669	0.2
110.00105	11.5
117.03496	0.4
119.05043	2.9
122.00087	0.2
124.01582	0.2
125.02438	0.4
129.09833	0.2
137.99603	6.8
139.22166	0.2
153.01926	1.9
161.02441	0.3
163.00407	1.1
164.01149	0.9
165.99078	15.3
167.05125	0.2
172.05305	0.3
181.01416	1.2
183.04453	0.3
185.02335	0.2
187.04025	1.2
190.99908	0.2
195.04495	0.3
196.05287	0.2
200.04784	1.1
204.83330	0.2
211.03993	0.7
212.04826	2.9
214.02756	2.1
227.03528	1.1
228.04372	0.5
238.02715	0.2
239.03572	0.6
240.04308	1.5
242.02252	0.4
243.02936	0.2
245.19016	0.3
255.02982	0.6
255.06708	0.5
256.03754	0.6
257.04666	0.3
266.02289	0.4
267.03061	1.1
283.02588	0.7
284.03278	69.0
285.03580	0.8
291.19690	0.9
297.03909	0.3
299.05609	99.1
300.05914	1.3
379.01306	100.0
379.17413	2.4
380.01721	1.4
473.95386	0.2
787.75458	0.2
1002.75397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	37.2
71.41380	2.6
73.02942	5.3
85.02959	7.6
87.00884	5.9
89.02448	40.6
95.01418	3.1
96.96009	2.5
97.83193	2.9
101.02452	44.7
111.06999	2.6
113.02463	31.0
119.03522	37.8
125.02432	2.6
131.03517	6.2
143.03499	12.2
161.04594	26.4
179.05630	49.2
221.06709	19.2
232.50360	2.3
244.52159	2.4
305.08838	5.0
323.09674	4.2
347.23380	2.7
402.22913	2.9
407.32779	4.2
427.35733	4.9
451.43198	2.9
453.33749	9.6
471.34839	100.0
472.35049	3.4
485.15250	6.7
485.36520	3.9
513.35638	8.4
543.37262	5.9
549.40094	3.0
562.11523	3.0
604.87750	2.6
633.40228	5.6
711.33160	3.1
933.99835	3.0
957.50580	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15712	0.5
91.12175	0.4
111.00906	1.9
117.03507	1.2
123.00890	0.6
125.97902	0.4
135.04536	0.7
136.98833	1.7
139.00383	2.2
151.00447	0.5
152.01160	0.8
154.18178	0.4
161.02438	1.3
164.98279	3.3
166.99811	0.5
180.00708	1.4
183.04520	1.4
185.02373	0.7
197.03061	0.5
211.04004	1.5
215.03523	0.9
226.02718	1.0
239.03596	1.3
241.00400	0.6
255.03030	8.3
255.35832	0.5
269.04480	1.9
282.61801	0.5
283.02515	60.1
284.02866	1.9
297.04074	4.6
298.04852	84.7
299.02173	0.5
299.05096	2.3
300.02686	0.5
301.03577	14.3
308.35443	0.5
311.05624	1.3
312.06497	0.5
313.07217	45.1
314.07614	0.6
355.08231	1.3
380.99295	8.8
381.19388	1.2
393.02728	0.8
395.01334	0.5
475.12518	26.3
476.13019	1.1
555.08203	100.0
556.08484	3.0
557.08508	1.3
769.26410	1.1
892.08130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15712	0.5
91.12175	0.4
111.00906	1.9
117.03507	1.2
123.00890	0.6
125.97902	0.4
135.04536	0.7
136.98833	1.7
139.00383	2.2
151.00447	0.5
152.01160	0.8
154.18178	0.4
161.02438	1.3
164.98279	3.3
166.99811	0.5
180.00708	1.4
183.04520	1.4
185.02373	0.7
197.03061	0.5
211.04004	1.5
215.03523	0.9
226.02718	1.0
239.03596	1.3
241.00400	0.6
255.03030	8.3
255.35832	0.5
269.04480	1.9
282.61801	0.5
283.02515	60.1
284.02866	1.9
297.04074	4.6
298.04852	84.7
299.02173	0.5
299.05096	2.3
300.02686	0.5
301.03577	14.3
308.35443	0.5
311.05624	1.3
312.06497	0.5
313.07217	45.1
314.07614	0.6
355.08231	1.3
380.99295	8.8
381.19388	1.2
393.02728	0.8
395.01334	0.5
475.12518	26.3
476.13019	1.1
555.08203	100.0
556.08484	3.0
557.08508	1.3
769.26410	1.1
892.08130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
73.41932	0.3
79.95747	2.4
80.96520	0.3
82.00612	0.9
86.18121	0.3
86.80128	0.2
91.80212	0.3
100.95508	0.3
108.02226	0.3
109.99384	0.5
110.00108	8.2
111.00910	2.8
124.01678	0.5
125.02466	0.6
132.02216	0.4
133.02954	0.3
134.03795	1.9
135.04550	3.0
136.98862	0.7
137.02315	0.3
137.99615	4.3
139.00383	5.4
151.00357	0.6
153.01938	3.6
160.84424	0.3
161.02467	0.8
164.01169	0.5
164.98294	0.5
165.99083	10.9
166.88184	0.2
174.47279	0.3
178.99884	0.6
181.01427	1.0
186.03296	0.4
187.04019	0.6
192.00647	0.6
193.31593	0.3
195.04483	0.3
200.04817	0.5
201.01982	0.5
208.95547	0.3
211.04002	1.0
213.01924	0.4
214.02670	0.8
227.03519	0.9
228.04268	1.0
239.03590	0.6
243.02995	0.4
255.03062	0.9
256.03738	1.4
257.00836	0.3
271.02679	0.3
271.06052	0.7
283.02496	1.6
284.03055	0.7
285.03491	0.3
297.04028	0.3
298.01196	1.9
298.04709	0.7
299.01630	0.6
299.05066	0.4
300.02780	46.3
301.03156	1.9
313.03546	2.9
313.07227	1.3
314.07556	0.5
315.05121	81.8
316.05429	2.8
317.05679	0.7
393.03220	0.5
394.03500	0.5
395.00793	100.0
396.01117	3.5
397.00812	1.6
481.77652	0.4
555.19482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0563
Annotation	2-Aminoisobutyrate
Peak:m/z	Relative Intensity
52.04544	0.8
54.68279	0.7
55.01869	0.7
57.03455	71.4
59.01386	27.0
61.00427	2.5
61.98833	1.6
68.35372	0.7
73.02946	2.5
73.26824	0.7
74.03288	0.9
84.04558	16.7
84.85635	0.8
85.02960	27.6
85.03481	1.6
85.04911	0.7
101.02448	12.5
102.05621	100.0
102.55069	0.7
103.02695	0.8
103.04025	15.4
103.05965	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	1021.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
88.78559	0.2
98.22693	0.7
117.03452	4.2
123.00829	0.3
141.33772	0.2
151.00375	0.3
153.01938	0.6
154.04285	1.9
161.02484	0.6
165.01910	0.6
167.05035	0.2
169.02898	0.3
176.98276	0.3
177.02040	0.3
178.99858	2.8
182.03775	0.4
185.02426	0.6
198.03214	1.5
207.04533	0.6
210.03123	0.3
223.04010	0.5
225.05568	0.3
226.02722	9.1
235.04005	0.7
237.02045	0.4
238.02779	1.3
251.03450	0.2
254.02243	4.5
258.01645	0.8
265.01382	0.5
266.02158	0.8
267.03125	0.2
268.03766	0.3
269.04572	11.7
279.03305	0.3
280.03812	0.2
282.01947	0.2
282.94647	0.2
283.06198	0.3
295.02850	0.3
295.06067	0.5
297.04050	100.0
298.04364	2.0
311.05588	0.4
312.06421	14.9
313.06848	0.3
322.80588	0.2
327.08743	83.3
328.09067	1.9
407.04440	95.8
408.04764	1.6
435.27917	0.3
542.91052	0.2
936.13544	0.2
941.48749	0.2
1017.21320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41987	0.9
77.51269	0.8
93.03460	1.0
95.01390	1.5
97.02914	0.9
109.02999	1.5
116.92873	3.4
117.03487	10.4
119.05089	2.4
120.02221	1.1
121.02972	2.4
125.02468	5.3
133.63519	1.0
135.00928	1.0
137.02452	9.9
157.02963	1.3
161.02533	1.0
162.03200	1.5
163.00392	15.0
163.03935	1.1
164.01161	14.4
164.16173	0.8
165.01938	21.0
169.02881	1.5
173.02438	2.3
173.46291	0.8
176.01231	0.8
177.01950	0.8
177.05576	1.0
182.64015	1.0
182.96094	0.8
185.02449	5.5
187.04053	1.5
189.02008	1.5
189.05870	0.8
194.41548	0.8
201.02110	0.9
207.02988	3.5
211.04115	1.4
213.02025	6.2
223.04344	0.9
225.01941	1.2
228.00719	1.1
229.01384	3.3
235.04178	0.9
240.00684	1.7
241.01479	6.1
243.02902	1.1
255.02968	5.1
257.01010	3.2
259.07574	1.1
267.02963	1.4
269.00848	1.5
275.03348	0.9
275.07285	1.0
281.00946	1.1
283.02582	5.8
285.00562	1.8
285.03607	1.2
302.05850	1.8
303.06622	2.4
311.02127	1.0
313.05209	1.0
315.06473	1.1
319.06213	1.3
329.04474	1.3
331.02667	1.5
331.06134	6.8
333.03976	1.9
346.04706	0.9
347.05585	1.4
357.04099	1.3
359.05658	6.4
360.02661	2.0
361.03500	2.2
373.03448	1.3
374.04361	1.1
375.05173	5.6
385.03497	1.2
386.04361	1.9
387.05243	1.8
389.02753	2.3
393.06204	3.7
402.03799	2.7
403.04620	100.0
404.05106	3.0
407.04312	1.1
415.04605	3.1
431.04172	1.0
442.03391	9.3
443.04102	33.4
483.07343	1.2
501.08240	5.3
523.06708	1.2
525.07990	2.3
533.05267	1.6
551.06250	15.5
569.07361	29.6
570.07410	0.9
593.08813	3.4
607.11127	2.6
615.42810	0.9
635.10168	1.4
647.10510	24.7
648.10803	1.2
705.15039	6.1
731.12415	1.0
755.12225	5.4
773.13666	68.4
774.13092	1.2
977.19983	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	1021.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	4.4
72.99332	0.6
73.02946	1.1
75.00877	2.2
82.00618	0.8
85.02959	10.4
87.00881	1.8
89.02431	0.6
95.01394	3.6
99.00886	4.2
101.02450	1.1
103.00373	1.5
110.00105	4.8
111.00929	0.4
113.02458	18.5
115.00346	0.7
115.05569	0.4
117.01961	0.7
122.01565	0.4
124.01637	0.4
129.01924	0.6
135.00874	0.7
136.98788	1.6
137.02444	0.7
137.99580	1.1
139.00351	0.5
149.99593	0.3
152.01172	0.4
157.01463	0.4
163.00363	2.0
164.98294	3.3
165.99086	4.9
166.99881	0.5
175.02486	9.5
183.04497	1.3
184.05293	2.9
185.02504	0.6
190.99893	0.4
195.04530	0.9
196.05254	0.4
199.03983	0.4
209.06087	0.4
211.03975	2.4
212.04807	1.1
223.03976	1.4
224.04922	0.5
237.05547	0.9
239.03421	2.9
239.07144	0.4
240.04294	1.7
252.04308	0.7
253.05092	1.1
255.03011	3.0
265.05026	1.0
267.02985	5.8
267.06534	1.1
268.03781	100.0
269.04150	2.0
281.04562	3.2
282.05392	1.3
283.02570	21.0
283.06128	93.0
284.02670	0.4
284.06424	1.2
290.05853	1.1
293.04626	1.0
296.06805	0.9
297.07458	0.5
298.04837	32.2
299.05429	0.4
305.08151	1.2
313.07205	32.7
325.07184	8.5
334.04895	0.4
349.07367	0.4
367.08249	0.5
487.12244	0.4
489.10464	6.6
534.99939	0.4
683.55096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.3
72.72178	0.5
72.99317	0.8
73.02923	0.5
75.00890	2.1
82.00650	1.2
83.01405	0.8
85.02958	9.0
87.00892	0.9
89.02496	0.6
92.99831	0.8
95.01401	2.5
96.99323	0.8
98.21861	0.7
99.00894	3.4
103.00407	1.6
107.01440	1.5
110.00109	12.6
111.00947	0.6
113.02462	16.7
117.01955	1.0
117.03507	1.7
123.00953	0.9
128.67064	0.6
136.98839	6.0
137.99617	5.0
139.00450	0.8
151.00363	4.2
152.01155	0.8
154.04308	1.0
157.01508	0.7
164.98297	10.3
165.99088	11.7
175.02502	7.9
177.02051	0.6
178.99895	1.5
180.00626	1.4
183.04507	2.6
185.02440	1.1
197.70946	0.5
211.04048	1.8
213.05586	1.5
214.06198	0.8
221.04729	0.8
225.05579	0.8
226.02762	2.3
227.03409	1.6
239.03586	1.3
241.05042	1.1
242.05907	1.0
253.05046	0.6
254.02306	0.7
255.03009	9.2
255.06648	9.0
256.06961	0.9
267.03101	1.6
268.03775	3.4
269.04529	13.0
270.05334	26.1
270.08258	1.3
283.02515	54.5
283.05719	2.1
284.02783	1.1
284.06335	0.7
285.04443	1.3
285.07703	39.6
297.04025	7.6
298.04846	75.0
299.05090	2.7
311.05734	2.0
312.06482	0.9
313.07202	37.0
314.07440	1.1
355.08167	2.0
381.78894	0.7
457.11563	7.5
459.12970	10.8
460.13373	1.2
461.10745	3.5
475.12347	0.9
517.13544	100.0
518.13983	3.8
519.14038	2.1
623.40698	0.6
753.25903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	3.8
85.02962	4.1
89.02475	1.3
94.84085	0.3
95.01402	2.2
99.00921	0.3
101.02439	0.6
103.04040	0.3
104.51969	0.3
105.03493	0.5
113.02465	9.5
115.01896	0.3
116.34380	0.3
117.03475	1.4
119.02411	0.3
119.03495	0.6
123.04554	1.2
123.55676	0.3
132.02184	2.1
133.02971	31.7
134.03770	0.4
135.04538	11.1
144.54021	0.3
147.30385	0.3
153.05569	1.1
161.02458	88.9
162.02846	0.7
179.03500	1.8
233.62663	0.3
247.06085	0.3
279.08737	0.3
283.02353	0.3
297.09769	0.5
307.24011	0.3
315.10883	1.5
355.11829	0.4
398.18195	0.3
461.16727	3.8
538.78198	0.3
545.50397	0.4
623.19849	100.0
624.20087	1.9
825.36719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
71.91917	16.4
82.22808	20.2
119.05066	29.2
135.04527	43.9
227.50798	21.5
244.60872	18.9
256.72159	23.9
283.02441	28.5
284.03317	38.3
285.03915	48.3
294.00800	20.6
319.13782	33.9
338.66974	17.6
454.30383	25.5
530.19647	32.3
571.30627	21.0
579.28351	19.8
650.50452	20.8
1007.47931	30.6
1024.45117	28.9
1025.47180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.6405
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01025	0.3
71.01391	5.0
73.02953	2.3
75.35192	0.2
76.60076	0.2
81.03461	4.0
82.06628	0.3
83.01391	1.0
83.05035	8.7
85.02960	3.3
87.00877	0.3
89.02454	1.1
95.01402	0.7
99.00887	1.1
99.08186	0.4
101.02452	5.1
106.14835	0.2
108.04557	0.5
113.02464	2.6
115.94393	0.2
119.03519	0.7
125.07242	0.3
126.05643	0.2
159.02942	0.4
161.04588	1.5
185.04547	0.3
200.98865	0.2
207.14986	0.4
224.17709	1.1
225.16098	8.3
225.18307	0.4
242.18787	0.3
257.69745	0.2
261.13431	6.8
265.33237	0.2
268.16907	0.2
303.14572	4.2
309.21881	0.4
333.23029	0.3
341.29236	0.8
367.27234	1.1
385.27969	0.3
391.43747	0.2
433.31750	0.9
448.51627	0.3
450.34219	1.1
451.27130	0.4
451.32996	6.2
490.93069	0.2
550.43243	1.1
559.40149	0.4
593.44189	0.8
659.48645	2.3
677.49738	100.0
678.50061	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	1027.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	1.4
73.02915	0.9
77.82082	0.6
81.03463	7.1
83.01382	3.9
85.02969	1.2
92.51443	0.5
93.03468	1.7
95.01385	1.9
95.05035	5.0
97.02965	4.2
99.04509	1.8
107.05067	1.6
108.02192	1.0
109.02925	3.4
111.00890	1.0
111.04519	2.8
113.02448	1.5
121.02979	3.0
122.03728	0.9
123.00849	1.4
123.04538	8.6
125.02455	9.3
125.06207	0.7
131.05014	1.3
135.04527	2.4
137.02448	4.0
137.06093	3.3
139.04012	3.7
147.04567	1.2
147.08145	1.5
149.02415	1.3
149.06087	2.4
150.03214	0.6
151.04028	2.1
155.03555	0.8
157.06679	0.7
163.04024	2.0
164.04807	0.9
165.01898	1.8
165.05577	2.0
166.02692	1.6
167.03513	18.6
169.06615	0.8
171.04565	0.7
171.08157	1.1
173.06079	9.2
175.04012	0.6
177.01997	1.0
177.05522	0.9
179.03549	2.6
180.04277	1.0
181.05080	1.2
183.08096	0.9
185.09773	0.8
188.04733	0.6
191.03555	1.2
193.05080	1.3
197.04572	4.3
197.06052	1.0
209.04544	20.7
209.09714	0.7
213.09189	6.0
219.02942	0.9
221.04616	0.8
224.93417	0.6
225.09279	1.3
226.04373	0.7
227.10815	2.8
229.08736	2.9
239.05557	8.9
239.21181	0.6
241.12361	0.7
253.08817	1.2
255.06660	1.0
255.10254	1.4
257.08231	8.0
267.10184	0.7
268.03818	0.7
269.04495	17.2
269.07776	2.6
269.08224	2.7
271.09784	0.7
283.09668	3.1
287.09360	1.0
295.09598	0.6
297.11392	1.0
299.09262	20.0
311.09262	9.1
313.10809	0.9
323.09320	1.2
325.10815	1.9
329.10294	7.1
341.10306	100.0
342.10669	0.8
353.10428	5.2
355.11795	0.7
365.10623	0.9
371.11374	71.7
372.11499	1.0
383.11563	4.3
395.11407	0.8
399.14307	0.7
401.12466	19.6
413.12772	1.2
425.12524	0.8
443.13446	9.6
445.07861	8.3
461.14563	46.3
462.15091	0.8
473.14584	8.1
491.15765	6.8
545.16858	1.2
563.17645	6.4
581.18781	72.4
582.19647	2.2
706.27686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	24.6
72.99281	1.1
73.02950	21.5
74.04035	0.7
83.01396	5.9
85.02944	6.1
87.00890	5.6
89.02457	26.2
94.23215	0.7
95.01340	1.6
97.02971	0.9
99.00890	2.1
101.02451	37.3
113.02459	12.8
119.03519	12.8
125.02443	4.9
131.03549	5.1
143.03490	8.6
149.04556	2.2
155.03589	1.3
161.04558	15.6
164.98312	0.9
176.08569	0.8
179.05624	32.0
203.05579	8.3
209.29608	0.8
214.31804	0.9
221.06665	23.9
226.08292	0.8
263.07681	0.9
264.33508	0.8
267.67862	0.8
269.04529	1.7
271.06140	1.1
281.08966	1.1
290.05225	0.8
305.08551	1.2
455.35324	100.0
456.35703	2.8
467.14188	2.1
469.36874	3.5
474.11978	0.8
485.15189	1.4
497.36371	4.5
527.16241	6.9
527.37494	1.2
539.37531	1.0
546.88977	0.8
621.11304	0.9
659.41345	2.3
677.42834	1.9
706.38287	1.0
923.49670	1.1
934.76868	1.2
941.51758	4.0
983.52393	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	1027.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	26.7
72.99286	0.7
73.02952	23.6
73.48506	0.4
83.01392	8.6
85.02953	7.2
86.00113	0.7
87.00877	4.4
89.02450	24.8
89.59630	0.4
95.01399	1.8
97.02965	1.7
98.27340	0.5
99.00906	1.2
101.02451	34.7
113.02458	13.3
119.03507	11.8
125.02468	4.2
131.03522	6.0
143.03511	6.9
149.04561	2.3
155.03511	0.9
159.02982	0.6
161.03227	1.0
161.04562	17.8
179.05623	31.4
203.05635	10.4
221.06676	21.8
263.07751	1.5
305.08801	0.8
332.83682	0.5
365.11011	0.5
383.11166	0.5
407.33618	0.7
455.35336	100.0
456.35562	2.9
462.97266	0.5
467.13904	1.0
469.36926	6.4
497.36392	4.3
527.16412	3.0
527.37396	1.9
539.37628	1.4
599.39404	1.2
659.41730	2.0
677.42743	1.7
852.22040	0.6
923.50293	0.7
941.50964	0.9
983.52136	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	1028.5903
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41714	0.3
94.73380	0.2
96.96025	0.5
105.08706	0.2
122.02522	0.2
133.02914	0.3
135.04533	0.4
138.46396	0.2
194.74452	0.3
259.01544	0.2
265.14865	0.5
471.34824	100.0
472.35291	2.5
841.61102	0.2
996.47845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
80.40680	0.3
81.21749	0.5
96.65475	0.5
96.96023	0.9
111.22220	0.4
113.50719	0.3
117.03450	3.8
137.71794	0.5
151.00417	0.5
153.01926	0.7
154.04247	1.4
161.02492	0.5
162.79813	0.3
164.98361	0.4
165.01895	0.4
178.87105	0.4
178.99832	2.9
185.81575	0.4
198.03177	0.6
226.02730	7.0
226.61647	0.4
235.03920	0.8
238.02791	1.0
254.02161	3.7
258.01563	0.5
265.01666	0.4
266.02203	0.7
267.03006	0.4
269.04541	11.6
270.05060	0.5
280.03806	0.5
283.06012	0.5
286.47723	0.4
297.04053	93.9
298.04309	1.9
299.05643	0.6
301.03586	0.5
303.00839	0.4
312.06412	15.5
313.06805	0.4
319.06055	0.8
327.08746	87.1
328.09036	1.7
343.75055	0.4
379.01108	0.4
407.04428	100.0
408.04791	2.6
456.04379	0.4
502.14743	0.3
621.10822	0.5
1059.36047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0402
Annotation	(S)-3-Hydroxyisobutyrate
Peak:m/z	Relative Intensity
55.01883	2.8
57.03454	15.3
58.03786	0.6
58.15820	0.2
59.01388	5.0
70.56408	0.6
71.01395	0.3
72.00915	4.4
73.02953	100.0
74.02483	9.4
74.03291	2.6
85.02953	4.8
86.99092	0.2
101.02473	2.3
103.04021	12.3
103.92037	6.9
104.03558	2.5
104.04288	0.6
119.25414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02962	2.9
87.00900	1.1
89.02415	0.9
95.01356	1.3
97.02952	0.6
101.02452	0.7
110.00121	1.0
113.02475	4.0
131.03481	0.8
134.03745	1.9
136.98772	0.8
143.05042	1.1
145.02939	1.7
149.06076	0.6
158.03592	0.6
161.02377	1.1
164.98241	0.9
165.99068	1.0
169.02974	2.1
171.04504	2.0
173.02415	1.1
173.06184	0.8
180.42038	0.5
182.03809	1.5
183.04556	4.2
185.02452	2.5
187.04059	0.7
197.06030	0.7
198.03206	1.7
199.04041	3.1
201.05635	1.0
210.03224	1.1
211.04036	10.8
212.04468	0.7
213.01964	4.5
213.05580	1.3
214.02670	0.6
224.04913	0.9
225.02060	0.7
225.05524	0.8
226.02692	1.4
227.03540	4.6
238.02664	0.6
239.03490	6.3
240.00740	0.8
240.04010	0.6
241.01447	1.5
242.02313	2.1
253.01373	3.9
255.02991	6.7
256.03830	3.2
257.04568	11.6
259.07608	1.4
263.03555	0.9
265.01651	0.6
267.03040	1.6
268.03693	2.9
269.04495	10.1
270.05096	2.1
271.06039	2.4
279.03070	1.4
280.03729	1.9
282.01611	0.8
282.07053	0.8
283.02515	9.8
283.07693	1.6
285.08997	0.6
287.07211	3.4
296.03220	1.5
299.05267	1.0
303.06781	1.0
307.14771	0.7
311.07037	3.1
312.07742	0.9
313.08884	1.0
315.06625	3.5
324.02686	2.0
327.06586	0.8
329.08057	2.0
331.06357	1.0
332.08255	0.6
336.49274	0.6
339.06723	3.3
340.07468	1.7
341.08145	2.5
342.05179	0.8
343.06226	5.9
355.06091	1.6
356.06705	0.9
357.07715	2.8
359.05673	2.4
367.06058	0.8
368.06863	2.4
383.05713	1.0
384.06549	1.1
385.07196	96.8
386.07550	1.4
387.05124	23.7
401.06683	1.0
403.08212	2.1
411.05130	1.8
413.08899	0.9
429.06125	6.6
433.11490	1.4
473.10834	7.1
474.11346	1.4
475.12448	2.9
517.13849	0.7
542.35913	0.6
557.50934	0.7
1037.29468	100.0
1038.28857	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	1037.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02957	0.4
78.08971	0.4
85.02953	3.3
87.00859	0.7
89.02457	1.6
95.01399	1.0
101.02454	1.0
110.00101	1.1
111.39654	0.4
112.74757	0.5
113.02472	4.8
131.03535	0.8
134.03712	1.4
136.98830	0.5
137.97295	0.4
139.87845	0.4
143.05089	0.5
145.03006	1.1
154.77199	0.4
155.05080	0.6
157.02882	0.8
161.02417	1.4
164.98340	0.7
165.99171	1.0
167.07069	0.4
169.02969	2.1
171.04565	1.9
173.02437	1.0
173.06177	0.7
175.02484	0.6
182.03786	1.2
183.04529	3.5
185.02402	2.8
185.06166	0.4
186.03291	0.5
187.03937	0.7
197.02469	0.7
198.03253	1.4
199.04036	2.8
200.04785	0.6
201.05719	0.6
209.02457	0.9
210.03233	0.8
211.04031	9.5
213.01945	3.3
213.05629	0.7
214.02690	0.8
224.04808	0.7
225.01921	1.2
226.02693	1.5
227.03534	5.6
228.04150	0.6
229.05139	0.5
237.01903	0.7
238.02713	0.7
239.03477	7.7
240.00496	0.6
240.04234	0.6
241.01445	1.5
242.02174	1.9
251.03464	0.6
253.01474	4.9
254.02393	0.5
255.03036	4.5
256.03806	3.1
257.04565	8.3
259.07849	0.9
263.03464	1.0
266.02280	0.6
267.03085	0.7
267.08047	0.6
269.04538	1.3
279.02936	1.2
280.03775	1.7
281.01035	0.8
282.01611	0.7
283.02533	8.8
283.07593	0.8
284.03329	5.0
285.09235	1.0
287.07141	3.2
295.02524	1.1
295.07529	0.5
296.03192	1.2
298.04568	2.7
299.05566	16.7
303.06583	0.5
308.03323	0.6
311.07162	3.1
312.07684	0.7
313.07901	1.7
314.05917	0.7
315.06580	3.8
324.02805	2.2
324.07996	0.8
326.05997	0.5
327.06631	0.6
328.07422	0.6
329.08203	2.0
331.05994	0.9
339.06586	4.3
340.07465	1.9
341.08224	2.6
343.06104	6.4
355.06165	1.3
356.06735	1.0
357.07721	3.8
359.05685	2.3
367.06024	0.7
368.06958	2.4
384.06442	1.6
385.07190	100.0
386.07623	1.2
387.05109	21.5
401.06616	0.8
403.08301	1.4
411.05179	1.3
429.06131	6.1
489.10739	0.6
503.12003	7.7
517.13354	1.1
1037.29431	81.5
1038.28894	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	1041.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99321	0.9
73.02953	0.5
75.00890	2.6
76.27181	0.4
82.00613	1.2
85.02957	16.0
87.00881	1.4
89.02440	0.7
92.11267	0.4
95.01393	4.9
99.00884	5.8
103.00375	2.8
107.01392	1.6
108.02161	0.9
110.00107	10.9
113.02460	33.9
115.00350	1.3
117.01941	1.9
117.03473	1.7
119.05029	2.4
123.04559	2.1
125.02461	0.6
129.01952	1.1
133.02986	0.5
136.98846	0.8
137.99605	5.1
143.05037	3.0
145.02965	0.7
151.00499	0.7
152.01108	0.8
153.01950	2.6
157.01376	0.5
161.02457	3.4
164.01183	0.9
164.98326	1.0
165.07147	0.7
165.99088	11.6
167.03522	2.6
167.04900	0.8
175.02490	17.9
181.01329	0.6
181.06567	0.8
183.04495	0.9
185.02422	0.6
187.04112	0.6
196.75519	0.4
200.04836	0.8
209.06151	2.2
211.04079	0.9
212.04807	1.8
214.02715	1.7
227.03593	1.0
239.03629	0.5
240.04262	1.7
242.02090	0.5
253.05078	100.0
254.05463	1.3
255.03148	0.7
256.03705	0.9
267.03156	0.5
283.02368	2.8
284.03284	48.1
285.03891	1.6
297.03732	0.7
298.04636	0.6
299.05624	83.1
300.05930	1.0
311.07788	1.4
429.08279	19.9
460.83755	0.5
461.11111	0.9
522.84717	0.5
579.99670	0.5
607.62671	0.4
611.14111	62.9
612.14343	1.3
622.72284	0.5
628.31555	0.6
665.15265	0.6
985.01947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01902	0.3
85.02967	0.2
95.01405	0.4
98.22788	0.4
107.09652	0.2
119.05070	1.6
121.02966	0.6
127.55527	0.2
130.59465	0.2
131.05040	0.2
135.04541	0.8
145.02931	1.1
147.04524	0.5
149.02470	0.6
159.04744	0.3
161.02480	0.8
162.03209	0.3
163.04057	1.1
173.02426	0.3
175.04019	0.6
177.01903	0.4
189.01953	0.7
191.03505	1.0
201.01830	0.3
203.03525	0.8
208.08937	0.4
209.09712	0.3
221.04497	0.4
235.07729	0.3
237.09251	1.1
247.07677	0.3
251.07195	0.6
252.07956	1.1
253.08684	0.2
263.07370	0.3
265.05029	0.3
265.08878	0.3
266.05850	0.3
267.06586	2.2
277.08844	0.4
279.06659	2.8
280.07382	3.4
281.08203	15.5
282.08536	0.3
287.05579	0.9
291.06604	1.3
292.07236	0.3
293.08206	1.7
295.06079	1.3
305.08487	0.3
307.06137	1.9
307.09366	0.4
308.06891	0.9
309.07700	4.9
312.06332	1.7
319.06073	0.9
321.07639	2.5
335.05637	0.6
337.07190	32.9
338.07535	1.0
339.08688	0.5
340.05759	0.5
349.07211	3.1
351.08569	0.4
365.06622	0.4
367.08231	17.9
368.08817	0.4
379.08310	2.3
381.09549	0.3
397.09464	1.4
409.09250	0.7
439.10318	0.9
457.11380	8.4
487.12592	3.0
499.12701	0.6
559.14325	0.4
577.15643	100.0
578.15936	4.5
579.16217	1.5
867.01025	0.3
1014.11548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01378	0.6
84.03014	0.4
84.04196	0.4
95.01398	0.9
96.00931	0.8
98.02494	0.9
107.01385	1.1
110.02509	0.8
119.05022	0.8
120.00886	0.4
122.02445	0.4
123.00869	0.6
123.03295	0.6
124.01712	0.4
134.02478	0.5
135.03281	1.5
136.00438	3.0
136.01474	0.5
138.02039	0.4
141.07043	0.4
145.06583	0.9
149.99706	0.4
151.00392	2.6
151.02751	0.8
163.99919	2.8
165.00731	0.8
169.06654	0.8
171.04561	1.0
172.55959	0.4
173.06036	0.7
177.00580	0.7
177.01968	0.6
185.06088	0.4
192.03067	1.3
203.07072	0.5
209.06177	0.6
211.07664	0.8
213.05627	2.5
223.01343	0.4
224.07178	1.2
226.08694	1.0
227.07088	1.1
228.06677	0.8
240.06723	1.5
242.08238	12.0
252.06627	0.5
253.05093	2.3
255.06651	15.6
264.06689	0.7
268.03311	0.8
268.06177	12.8
270.07736	23.0
280.06168	1.1
290.08167	0.5
308.09393	0.7
312.01871	0.4
322.07065	0.6
352.08371	0.6
402.06085	0.6
420.07809	0.5
522.11902	1.5
523.12360	2.7
524.13538	100.0
525.13690	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	1043.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	0.7
73.02953	17.8
81.03447	0.6
83.01390	4.9
84.93837	0.3
85.02962	7.0
87.00887	3.9
89.02451	21.9
90.91384	0.4
95.01392	2.2
97.02961	1.2
99.00887	0.8
101.02451	33.5
103.83868	0.4
107.03510	0.5
111.00950	0.7
113.02460	13.6
119.03516	13.1
125.02463	4.8
131.03511	6.4
143.03499	7.5
149.04576	1.9
155.03514	1.4
159.03017	1.0
161.04572	16.1
165.05463	0.4
179.05623	33.2
203.05624	10.1
216.87555	0.4
220.99370	0.5
221.06680	21.8
245.32159	0.4
263.07669	0.8
305.08829	1.8
403.69629	0.4
407.33258	2.5
423.32507	0.7
425.34152	0.7
467.14157	0.7
469.33127	0.6
471.34821	100.0
472.35303	1.4
485.15674	0.4
485.36389	7.1
513.35797	10.1
527.16467	3.0
543.37048	2.7
555.36804	1.7
557.34961	0.6
573.38123	1.6
615.39075	1.2
635.80048	0.5
675.41327	1.6
693.42310	1.5
717.42590	0.8
738.18073	0.5
759.43518	0.7
776.54980	0.4
785.43274	0.5
939.48877	0.6
957.51855	0.6
999.51880	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	1043.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02953	23.2
75.00849	1.0
83.01395	7.2
83.87488	0.5
85.02962	7.7
86.00104	1.0
87.00893	5.1
89.02454	38.7
95.01405	1.1
97.02950	2.2
99.00879	1.1
101.02454	50.8
107.03565	0.5
113.02457	20.4
119.03513	17.2
125.02460	5.9
131.03526	9.1
143.03520	10.3
149.04553	3.6
155.03473	1.6
159.02982	1.6
161.04579	21.7
179.05626	53.3
189.01395	0.6
203.05635	12.4
221.06689	31.0
241.34747	0.5
247.12828	0.5
263.07715	1.9
281.08844	1.3
305.08841	2.0
323.09955	1.0
391.29834	0.7
407.33289	2.0
409.34821	2.0
411.32858	5.2
423.32831	0.7
425.34357	2.6
427.35959	1.7
441.33878	1.3
453.33777	18.3
453.40155	1.0
467.14120	2.1
467.35446	1.5
471.34824	100.0
472.35190	2.1
474.44196	0.6
485.15121	1.3
485.36374	4.5
513.35907	15.0
527.16272	7.2
543.37018	1.8
555.37012	2.5
573.37946	2.4
587.90576	0.6
615.39032	1.1
633.40100	0.8
675.41516	3.2
693.42450	2.4
762.11853	0.8
764.87183	0.6
939.49878	3.8
957.50995	3.8
999.51874	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	1045.266
Annotation	Unknow
Peak:m/z	Relative Intensity
90.69605	0.1
93.59449	0.1
102.50641	0.1
117.03445	4.2
123.00893	0.2
124.49286	0.1
133.02954	0.2
136.98795	0.2
137.02475	0.2
151.00415	0.3
153.01945	0.6
154.04253	2.2
161.02461	0.4
165.01915	0.5
165.53357	0.2
168.04205	0.2
169.02953	0.3
171.51302	0.2
177.02092	0.2
178.99875	2.7
181.06651	0.3
182.03633	0.3
185.02492	0.6
193.01376	0.2
197.06075	0.2
198.03304	1.1
207.04469	0.5
209.86913	0.2
210.03258	0.2
223.04077	0.3
225.05513	0.3
226.02722	9.0
227.03278	0.2
235.03990	0.7
238.02776	0.9
241.05064	0.3
251.03484	0.3
253.05240	0.3
254.02219	4.3
258.01758	0.7
265.01407	0.4
265.04947	0.1
266.02243	1.3
267.03091	0.3
268.03757	0.2
269.04565	11.4
270.05069	0.2
280.03796	0.4
282.01767	0.3
283.06186	0.4
295.06113	0.3
297.04047	100.0
298.04422	1.3
311.05542	0.6
312.06415	15.8
313.06769	0.2
327.08740	85.3
328.09116	1.1
371.49350	0.2
398.07587	0.1
407.04425	81.6
408.04837	1.1
449.37665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
89.18610	43.8
92.30273	44.2
93.01238	41.4
115.07632	51.5
119.79993	48.8
120.53592	45.7
135.04521	53.3
143.07275	46.5
176.35658	49.1
211.76991	44.4
273.14972	82.0
442.88705	48.2
521.25464	48.7
541.21875	100.0
628.28448	46.6
1047.50647	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	0.5
73.02955	0.5
75.00882	1.4
83.01383	0.4
85.02959	8.6
87.00871	1.3
89.02428	0.6
92.02326	0.3
95.01402	2.9
99.00884	2.8
103.00378	1.6
104.80342	0.3
113.02460	17.1
115.00405	0.7
117.01980	0.8
117.03423	1.7
120.99353	0.6
123.00897	0.4
124.01651	0.9
129.01964	0.8
132.41702	0.3
136.98822	6.2
139.00381	0.6
149.99608	0.4
151.00439	0.5
152.01195	1.8
154.00183	0.3
154.04248	0.4
157.01440	0.5
161.02557	0.4
164.98294	9.0
164.99625	0.5
167.05025	0.4
175.02499	8.2
178.99855	0.4
180.00635	2.2
183.04533	4.4
185.02489	2.3
195.04468	0.4
211.04008	3.6
215.03665	0.4
226.02663	1.3
227.03510	1.1
239.03474	1.5
252.04305	0.4
255.03014	16.9
268.04129	0.3
269.04568	2.4
281.04608	0.4
283.02499	87.8
284.02808	1.0
296.03192	0.7
297.04025	4.5
298.04843	100.0
299.05322	1.6
311.05637	1.5
311.35245	0.4
313.07199	83.3
314.07581	1.2
355.08286	1.8
489.03235	0.5
489.10449	10.4
517.13544	76.9
518.13910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	0.5
73.02960	0.4
75.00880	1.5
84.68053	0.4
85.02959	10.1
87.00888	1.6
88.89132	0.4
90.76635	0.4
93.03462	0.7
95.01409	2.6
99.00875	3.3
103.00381	0.9
107.01410	1.5
113.02460	17.2
115.00396	0.5
117.01944	0.8
117.03463	3.8
117.04205	0.5
121.02987	1.4
129.01961	0.8
135.04512	0.9
149.02461	2.1
151.00331	2.2
159.04526	1.2
161.02495	1.0
175.02534	10.9
175.04025	1.9
181.06606	0.5
183.04604	0.9
190.06400	2.1
197.06189	0.8
201.05615	1.0
222.05403	0.5
225.05571	1.8
235.07736	0.5
239.07184	0.5
253.08615	0.7
261.05536	0.7
263.07162	1.7
267.06549	0.7
269.04568	100.0
270.04916	1.3
278.09500	0.5
279.06619	1.6
281.08273	2.5
282.09082	0.4
285.03903	0.4
286.04898	0.9
291.06894	0.5
293.08206	1.1
294.08896	1.5
296.10617	0.7
297.07724	8.5
297.11050	0.7
301.07132	0.8
307.09622	0.5
308.10425	1.0
309.07693	11.3
309.11337	3.6
312.10098	8.4
323.09198	1.3
324.10059	11.9
327.12396	37.8
328.12741	0.6
339.12387	30.7
340.12915	0.7
357.13303	0.7
358.42310	0.4
417.06076	0.5
445.07788	21.1
446.07910	0.4
638.13177	0.4
643.48871	0.6
731.12000	0.5
835.82416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02920	0.2
73.10854	0.2
75.00854	0.9
77.41313	0.2
85.02957	3.2
87.00873	0.5
89.02432	0.4
95.01372	1.5
97.02968	0.8
99.00880	1.2
99.50134	0.2
101.03975	0.4
103.00352	0.4
104.79969	0.2
110.00080	0.3
111.00848	0.3
113.02451	4.2
115.00346	0.5
117.01923	0.4
117.03483	0.5
123.00887	0.5
136.98808	0.9
137.02467	0.7
139.00368	0.6
141.07083	0.6
145.03000	0.2
155.05052	0.8
157.06616	0.3
163.00299	0.6
164.98300	1.5
165.01939	0.4
166.99895	0.4
167.05069	0.4
169.06627	2.5
171.04547	4.3
171.05960	0.5
171.08110	0.3
173.06073	0.6
175.02519	2.2
180.06023	0.2
181.06570	1.1
183.04546	0.9
185.06139	0.5
195.04503	0.4
197.06093	7.1
199.04082	1.4
199.23962	0.3
201.05600	0.3
210.13646	0.2
213.05603	2.3
223.04025	0.7
224.04814	0.6
225.05602	3.2
227.03404	0.6
239.03528	0.9
240.04208	0.7
241.05099	2.6
242.50102	0.2
249.53679	0.2
251.03706	0.3
255.02866	0.4
257.04581	0.3
267.03082	1.2
268.03735	2.5
269.04565	100.0
270.04846	2.1
296.05695	0.4
297.04132	0.6
303.47156	0.2
327.08719	1.0
337.07803	0.4
383.07382	0.3
390.14285	0.3
397.49191	0.2
401.06805	0.8
407.04416	0.5
409.32205	0.3
445.07785	46.3
446.08350	1.2
459.11942	0.8
502.56296	0.3
563.18036	1.8
607.12964	1.3
618.17438	0.3
752.85229	0.3
1053.29211	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	1055.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
75.38618	1.8
77.12139	1.6
83.00495	1.7
93.03484	3.0
108.02182	3.3
111.00894	2.5
113.02466	2.0
124.01656	3.5
125.02454	2.7
136.98814	3.4
137.99603	2.5
150.03299	4.0
152.01096	2.7
163.00363	2.4
164.98337	3.2
166.99860	1.8
171.04514	4.5
173.06114	5.5
175.04057	2.0
178.02702	2.1
178.99915	1.8
193.01472	2.4
193.03404	2.6
199.04091	3.5
201.05597	3.2
219.79382	1.8
225.05505	2.2
229.04996	5.8
241.05173	3.1
243.06654	17.4
243.27592	1.9
245.83318	2.2
247.05998	2.5
253.05029	8.8
255.06668	3.3
256.03833	2.2
257.04483	2.3
259.97757	2.3
267.03076	2.0
267.06512	4.7
268.79242	1.9
269.04520	8.6
269.08206	14.5
270.05450	3.2
271.06134	31.4
272.03302	2.2
279.06738	3.1
281.04620	4.2
283.05945	4.6
295.06158	4.5
297.04510	3.4
297.07581	17.9
298.04993	1.9
301.03491	3.3
327.05002	1.9
361.07117	3.0
377.10428	5.0
391.11765	8.8
403.11673	4.7
404.08853	3.2
405.09814	38.2
419.11295	16.7
431.11340	61.2
439.43448	2.1
447.09384	15.5
581.12854	11.3
685.17322	3.2
703.18286	100.0
879.21808	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	1055.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03978	0.2
83.01377	0.3
85.02957	4.6
89.02455	1.2
89.03966	0.3
95.01405	1.4
101.02473	0.8
105.03474	0.5
113.02462	9.6
117.03477	0.8
123.04520	1.2
126.56689	0.2
132.02173	2.5
133.02971	34.4
134.03748	0.7
135.04543	12.0
153.05605	1.0
161.02463	81.4
162.02808	0.9
166.48450	0.2
179.03510	2.3
230.11769	0.3
269.04605	1.5
297.09866	0.5
315.10922	1.2
408.77200	0.2
431.10165	0.3
461.16699	4.5
623.19855	100.0
624.20325	3.1
694.06866	0.3
901.84387	0.3
920.95758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
81.67559	0.6
82.48044	0.7
83.01371	0.7
85.02964	11.8
88.44868	0.7
89.02438	5.0
95.01389	4.8
101.02438	1.7
112.49805	0.5
113.02461	26.4
119.03509	0.7
123.04546	1.5
131.03529	2.0
135.04547	19.4
143.03503	0.6
153.05540	0.9
158.56461	0.7
161.04558	2.2
167.62187	0.6
169.40613	0.6
191.05585	1.9
269.32819	0.6
297.09827	1.5
315.10733	3.0
332.67810	0.8
345.35779	0.6
413.89789	0.7
461.16714	8.7
592.19995	0.9
593.20953	100.0
594.21338	2.5
595.20410	0.7
835.55286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
82.00616	0.5
84.10709	0.3
85.02943	0.5
91.01891	0.5
95.01405	1.5
96.99294	0.4
107.01412	0.8
110.00095	3.3
111.00893	9.6
113.44553	0.4
114.37815	0.3
117.03484	1.0
119.05033	4.5
121.03004	0.5
122.76441	0.3
123.00938	1.7
123.01659	0.3
123.04526	0.4
125.02452	1.4
133.02954	0.8
135.00885	0.4
136.98805	1.8
137.02478	0.8
137.99615	1.2
139.00389	11.5
143.05064	0.8
151.00374	3.8
157.06615	0.3
161.02486	1.7
163.00369	0.8
164.98288	1.1
165.01936	1.3
165.99100	1.6
166.99910	2.8
167.03534	1.2
167.04962	0.5
169.06644	0.9
171.04546	1.1
171.31406	0.4
173.06052	0.7
178.40892	0.3
178.99875	0.8
179.05037	0.5
183.04474	0.6
185.06058	0.9
187.03938	0.4
190.99879	0.8
192.00690	1.2
195.04553	0.9
197.06149	0.6
199.04070	0.9
199.84853	0.4
200.04807	0.4
204.39558	0.4
204.99092	0.4
211.04004	0.9
213.05605	1.3
217.05029	0.6
218.12819	0.4
223.04025	3.4
225.01965	0.6
238.42616	0.4
239.03484	1.8
241.04967	0.5
242.02240	0.8
255.02798	0.4
257.04578	0.4
267.03021	1.2
268.03860	1.3
283.02557	1.3
283.06146	0.9
284.03265	6.3
285.04071	100.0
286.04453	1.0
299.05630	0.6
327.05115	0.6
429.08328	0.8
435.09109	0.4
447.09482	0.9
481.43921	0.4
547.92352	0.4
597.12543	81.3
598.12701	1.5
776.74585	0.5
867.10730	0.4
972.49500	0.4
998.13940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03500	1.5
83.05019	0.4
85.02957	3.7
93.83848	0.3
96.96047	0.4
98.22627	0.6
108.04529	0.4
109.06593	2.0
122.02492	100.0
135.08174	0.6
136.03000	0.6
136.04048	10.9
150.05611	4.7
178.05145	0.6
217.16008	3.7
229.15878	0.5
243.13942	0.8
245.15472	0.9
255.17656	0.8
259.17075	0.8
261.14960	1.0
273.18607	2.2
283.17126	0.8
289.14478	24.1
301.18039	1.8
345.17078	7.4
440.20847	0.6
468.20291	84.8
469.20651	1.0
631.15436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95316	0.2
79.95749	2.4
81.22954	0.1
82.00600	0.6
86.22337	0.2
89.92027	0.1
110.00108	9.6
115.24340	0.1
117.03511	0.4
119.05034	2.4
124.01676	0.3
125.02448	0.3
136.98802	0.2
137.99605	6.8
146.03714	0.3
153.01938	1.9
161.02524	0.2
163.00339	0.5
164.01164	0.8
164.98235	0.3
165.99088	13.3
176.92659	0.2
181.01428	1.2
187.04015	0.7
188.04807	0.3
190.99872	0.4
195.04478	0.3
196.05310	0.3
200.04805	0.9
211.03975	0.7
212.04796	2.4
213.01904	0.2
214.02730	2.4
216.04196	0.3
223.04051	0.3
226.02689	0.6
227.03491	1.0
228.04301	0.6
239.03491	0.6
240.04297	1.3
242.02223	0.4
255.02901	0.4
255.06685	0.3
256.03665	0.6
257.04507	0.3
266.02063	0.3
267.03033	1.1
269.04645	0.2
278.52951	0.2
281.04245	0.1
283.02429	0.4
284.03287	59.6
285.03671	0.6
297.04224	0.7
298.04453	0.3
299.05618	85.8
300.05847	0.8
336.79932	0.2
376.99881	0.4
378.00046	0.3
379.01315	100.0
380.01654	1.0
574.37109	0.2
577.00433	0.2
661.61572	0.2
909.15839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
82.00637	0.2
83.01405	0.4
92.99812	0.2
95.01400	1.2
96.02625	0.2
96.99331	0.3
99.00885	0.2
101.94085	0.1
106.55630	0.2
107.01392	0.4
108.02187	0.3
109.02959	0.2
110.00113	1.0
111.00894	8.4
113.02483	0.2
121.02954	0.4
123.00909	1.2
123.04521	0.4
125.02452	0.5
129.41107	0.2
133.02959	0.5
134.03749	0.4
135.00900	0.3
135.04546	2.8
136.98831	1.7
137.02448	0.5
137.99605	0.3
139.00391	9.7
143.05057	0.2
147.00868	0.3
149.02467	0.5
151.00381	2.1
153.01945	0.2
158.03720	0.2
159.04530	0.4
161.02466	0.4
164.98294	1.7
165.01974	0.5
165.99095	1.2
166.99896	2.6
167.03508	0.5
167.04884	0.3
171.04414	0.2
173.02454	0.2
177.01979	1.2
178.99892	0.6
183.04504	0.8
185.02507	0.3
185.06071	0.4
187.04010	1.0
189.05574	0.7
190.99661	0.2
191.03368	0.2
192.00725	0.7
193.01463	0.9
195.04549	0.5
197.06183	0.1
201.02037	0.3
201.05592	1.0
211.03967	1.4
213.05617	0.4
214.02628	0.2
215.03542	1.3
227.03508	0.8
229.05211	0.8
231.03038	0.2
233.04575	0.6
239.03516	2.5
240.04063	0.2
241.01440	0.5
255.02971	1.2
257.04578	0.6
257.21930	0.2
258.01706	0.6
259.02408	0.2
267.02979	0.2
268.03223	0.2
269.04550	3.8
273.03995	0.4
283.02466	1.2
298.01160	0.3
299.02094	1.0
300.02783	2.4
301.03555	100.0
302.03964	1.2
407.04187	0.3
445.07919	0.6
504.43011	0.2
595.61462	0.2
611.10687	1.0
612.10730	0.3
613.12048	49.4
614.12482	0.9
776.16498	0.2
1018.32312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95734	0.4
100.87756	0.3
117.03461	4.4
147.61148	0.3
151.00346	0.5
153.01917	0.7
154.04254	2.3
158.21997	0.4
161.02406	0.3
162.71568	0.3
163.41496	0.3
178.99908	2.7
182.03833	0.4
185.02448	0.6
189.09840	0.3
191.79483	0.3
196.07626	0.3
198.03201	1.4
204.69838	0.4
207.04382	0.4
208.35616	0.4
210.03300	0.4
223.03876	0.4
226.02739	9.3
235.03955	0.9
238.02730	1.2
253.05153	0.4
254.02229	4.4
258.01624	1.2
265.01483	0.4
266.02237	1.0
267.02963	0.6
268.03726	0.8
269.04578	11.8
283.06036	0.4
297.04056	100.0
298.04318	1.4
299.05658	0.5
300.13458	0.4
311.05731	0.5
312.06421	17.0
327.08755	93.5
328.09149	1.8
396.76297	0.3
407.04440	92.3
408.04596	2.1
536.79462	0.4
564.57849	0.4
656.07928	0.4
669.33008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
79.81952	0.3
83.01403	1.6
83.05019	0.4
85.02958	3.4
86.00091	0.5
87.00916	1.4
87.04523	3.5
89.02452	10.2
95.01377	0.5
97.02959	3.9
97.06600	0.5
98.03745	1.2
98.22629	0.4
99.00906	0.8
99.04517	2.4
101.02454	12.5
101.03117	0.7
111.04537	0.3
113.02465	5.5
119.03507	5.9
124.01687	0.9
125.02441	1.8
129.01984	0.4
131.03500	2.8
137.09708	0.4
143.03514	2.9
147.08121	0.3
149.04576	1.0
151.11372	0.4
159.03078	0.3
161.04576	6.4
161.09645	0.3
170.55128	0.3
170.70686	0.4
171.08189	1.6
172.08907	0.6
173.09741	1.9
174.10542	0.3
175.11253	1.6
177.12836	0.8
179.05624	15.9
184.08965	0.8
185.09734	0.9
187.11293	5.6
189.12833	2.3
191.14429	0.6
194.03970	0.4
196.33704	0.3
197.70103	0.3
199.11331	0.4
201.09164	0.9
201.12880	0.6
203.05647	3.7
203.10788	1.8
203.14394	0.5
205.12349	8.2
205.15915	0.7
207.13889	1.2
217.12363	1.1
219.13907	0.9
221.06699	8.8
235.13477	1.9
237.14966	0.7
241.16045	0.5
257.15598	0.4
263.07755	0.6
263.20230	2.2
267.17657	0.3
273.18518	0.3
275.20099	0.7
281.08719	0.3
291.19653	0.6
293.21271	2.6
301.03534	0.5
305.08795	0.8
317.06512	0.3
319.19174	12.1
337.20233	25.9
363.18137	1.2
373.25250	0.4
377.28748	0.4
380.18002	0.4
381.19214	100.0
382.19733	1.0
391.30118	0.7
393.31979	0.5
407.33350	3.3
423.33127	1.5
425.34256	6.6
439.32153	0.5
441.33569	2.2
457.33447	0.4
467.14078	0.5
469.33270	3.7
483.34933	1.1
487.34354	27.0
488.34753	0.5
501.35898	2.0
513.32861	0.5
527.16528	1.3
529.35425	7.8
559.36102	0.4
571.36633	0.6
589.37518	1.8
631.38531	0.5
691.40649	0.8
709.42126	0.4
713.31219	0.5
955.49255	0.8
973.49884	0.5
974.78009	0.3
1015.50934	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	1059.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
79.81952	0.3
83.01403	1.6
83.05019	0.4
85.02958	3.4
86.00091	0.5
87.00916	1.4
87.04523	3.5
89.02452	10.2
95.01377	0.5
97.02959	3.9
97.06600	0.5
98.03745	1.2
98.22629	0.4
99.00906	0.8
99.04517	2.4
101.02454	12.5
101.03117	0.7
111.04537	0.3
113.02465	5.5
119.03507	5.9
124.01687	0.9
125.02441	1.8
129.01984	0.4
131.03500	2.8
137.09708	0.4
143.03514	2.9
147.08121	0.3
149.04576	1.0
151.11372	0.4
159.03078	0.3
161.04576	6.4
161.09645	0.3
170.55128	0.3
170.70686	0.4
171.08189	1.6
172.08907	0.6
173.09741	1.9
174.10542	0.3
175.11253	1.6
177.12836	0.8
179.05624	15.9
184.08965	0.8
185.09734	0.9
187.11293	5.6
189.12833	2.3
191.14429	0.6
194.03970	0.4
196.33704	0.3
197.70103	0.3
199.11331	0.4
201.09164	0.9
201.12880	0.6
203.05647	3.7
203.10788	1.8
203.14394	0.5
205.12349	8.2
205.15915	0.7
207.13889	1.2
217.12363	1.1
219.13907	0.9
221.06699	8.8
235.13477	1.9
237.14966	0.7
241.16045	0.5
257.15598	0.4
263.07755	0.6
263.20230	2.2
267.17657	0.3
273.18518	0.3
275.20099	0.7
281.08719	0.3
291.19653	0.6
293.21271	2.6
301.03534	0.5
305.08795	0.8
317.06512	0.3
319.19174	12.1
337.20233	25.9
363.18137	1.2
373.25250	0.4
377.28748	0.4
380.18002	0.4
381.19214	100.0
382.19733	1.0
391.30118	0.7
393.31979	0.5
407.33350	3.3
423.33127	1.5
425.34256	6.6
439.32153	0.5
441.33569	2.2
457.33447	0.4
467.14078	0.5
469.33270	3.7
483.34933	1.1
487.34354	27.0
488.34753	0.5
501.35898	2.0
513.32861	0.5
527.16528	1.3
529.35425	7.8
559.36102	0.4
571.36633	0.6
589.37518	1.8
631.38531	0.5
691.40649	0.8
709.42126	0.4
713.31219	0.5
955.49255	0.8
973.49884	0.5
974.78009	0.3
1015.50934	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	1059.6975
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05027	0.2
85.02950	1.4
87.00909	0.2
87.04524	4.1
89.02466	1.0
96.30243	0.1
96.95976	0.2
97.02957	3.2
97.06609	0.2
98.03737	0.8
99.04532	2.0
101.02455	1.3
109.06645	0.1
113.02471	0.6
113.06122	0.3
118.14458	0.1
119.03554	0.5
119.05052	0.2
123.08160	0.3
124.01657	1.0
125.02484	0.2
131.03525	0.3
133.10274	0.2
135.08167	0.2
143.03525	0.3
147.08200	0.5
151.07701	0.2
151.11296	0.3
157.06598	0.2
157.10265	0.3
158.07402	0.3
159.11838	0.2
161.04619	0.7
161.09766	0.3
163.11346	0.2
167.10847	0.2
169.10236	0.4
171.08188	1.8
171.11751	0.2
172.08966	0.6
173.09724	1.7
174.10529	0.3
175.11285	1.1
177.12863	1.0
179.05647	1.5
179.14484	0.1
183.11826	0.4
184.08948	0.6
185.09764	0.9
185.13327	0.3
187.11296	6.7
189.12849	2.3
191.14470	0.5
199.11288	0.7
199.86092	0.1
200.08372	0.2
201.09276	0.9
201.12796	0.8
203.05641	0.3
203.10797	1.8
203.14545	0.2
205.12346	8.6
207.13927	2.1
209.15529	0.2
217.12306	1.3
219.13919	2.0
221.06673	0.7
228.13177	0.1
229.16052	0.5
231.17590	0.2
235.13385	2.0
237.14902	0.8
241.15988	0.5
243.17632	0.2
257.15442	0.5
257.19116	0.2
259.17111	0.3
261.18579	0.4
263.20197	2.3
273.18692	0.6
275.20270	0.9
285.04114	0.6
291.19696	0.6
293.21231	3.5
301.03604	0.3
301.18155	0.2
303.15994	0.7
307.19028	0.7
314.40088	0.2
319.19177	13.0
335.18735	0.2
337.20233	27.2
338.20602	0.4
355.21112	0.3
363.18118	1.2
381.19205	100.0
382.19623	1.1
407.33246	0.3
425.34332	0.7
441.33282	0.2
444.44894	0.2
461.07288	0.2
469.33282	0.7
487.34271	3.0
529.35431	0.6
713.30145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
74.87263	0.6
78.03504	1.1
83.01414	3.4
85.02961	11.4
87.00862	1.0
89.02463	1.7
95.01400	1.9
97.02970	0.9
99.00899	3.1
101.02453	14.5
107.67669	0.5
113.02455	7.3
122.02496	100.0
137.09795	0.7
143.03534	1.1
159.02972	1.0
161.04555	6.4
193.12320	1.4
211.13434	2.5
216.15977	0.7
265.14487	2.6
269.78027	0.6
300.77957	0.6
355.17752	4.6
369.19238	0.8
387.20267	24.0
411.12885	0.7
429.21460	6.1
534.17712	0.7
541.23474	0.7
550.98785	0.7
604.24341	0.7
770.00195	0.7
870.97089	0.8
909.83478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
82.00620	0.3
88.90956	0.2
95.01395	0.2
102.96547	0.2
110.00085	1.9
119.01385	0.7
120.09742	0.2
125.02472	0.3
135.00945	0.3
137.99655	1.1
139.05557	0.7
140.01208	0.5
145.02969	3.1
153.01976	1.2
155.03523	0.6
163.00380	8.7
165.99068	2.4
171.04549	1.0
180.05888	0.4
182.03764	0.2
184.05304	2.6
190.99933	0.3
195.04578	0.6
196.05293	1.7
198.03224	2.3
211.04015	1.1
212.04784	1.1
223.04062	0.6
224.04762	2.7
239.03510	2.5
239.07153	0.3
240.04175	1.1
267.02969	2.7
268.03784	100.0
269.04303	1.3
282.05423	0.3
283.06134	68.4
284.06464	0.7
297.04147	1.2
298.04477	0.3
299.04675	0.2
312.06503	0.2
327.08865	0.8
328.09259	0.5
341.08856	1.0
407.04495	0.6
409.04510	0.3
487.12384	1.3
729.04858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
74.12418	0.1
76.00604	0.1
82.00616	0.2
83.01403	0.4
86.45277	0.1
92.99843	0.2
95.01388	0.3
101.02460	1.1
109.02938	0.2
110.00094	2.6
115.05557	0.2
119.01395	1.1
120.99365	0.2
122.00105	0.2
135.00883	0.6
136.01651	0.2
136.98808	0.2
137.02434	0.8
137.99594	1.1
139.05554	0.8
145.02969	0.5
148.98851	0.4
149.99652	0.5
153.07156	0.1
156.05804	0.3
160.01735	0.2
163.00389	11.1
165.07076	0.2
165.99078	2.9
167.05106	0.3
167.75812	0.1
171.04539	1.4
172.05322	0.4
179.03529	0.3
180.05881	0.3
182.03719	0.3
183.04575	0.2
184.05301	3.4
190.99802	0.3
193.06593	1.6
195.04515	0.9
196.05295	2.0
197.06000	0.2
198.03235	2.5
198.05077	0.2
208.05232	0.2
209.06137	1.6
211.04005	4.7
212.04790	1.0
223.03986	0.7
224.02791	0.2
224.04782	1.7
236.04750	0.2
237.05563	1.9
239.03494	6.3
240.04306	1.1
252.04323	0.3
253.04941	0.7
255.06636	1.1
265.05142	0.3
267.03009	11.3
268.03787	100.0
269.04117	1.0
281.04578	5.1
282.05386	1.7
283.06137	89.0
284.06342	0.8
285.07672	0.7
290.05887	1.0
293.04596	2.2
295.06094	0.8
296.06863	0.8
297.07724	0.4
305.08273	1.2
310.04849	2.8
310.08252	0.2
314.04266	0.7
325.07193	18.9
326.07721	0.3
334.04877	0.6
349.07141	0.5
367.08432	0.2
412.07913	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	1065.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
74.96835	0.2
76.23232	0.2
83.01412	0.4
84.02169	0.3
85.02959	8.9
85.03477	0.5
87.00894	1.3
89.02455	5.0
93.03463	0.5
95.01399	3.8
95.05043	0.7
99.00886	0.3
100.00423	0.4
101.02458	2.4
105.03475	3.5
113.02460	18.4
117.03452	0.2
118.05085	0.9
119.03539	1.2
121.02963	0.7
123.04536	0.3
127.04025	0.3
131.03506	2.5
133.02991	1.9
134.03735	2.2
143.03502	0.7
144.02974	0.3
147.04514	0.4
149.04596	0.6
149.06073	1.3
151.04022	10.4
151.86661	0.2
159.67470	0.2
161.02455	38.0
161.04599	1.4
162.02834	0.3
175.04022	0.3
176.04800	18.7
177.05426	0.4
179.03506	64.7
191.05624	1.0
191.07150	7.4
193.05063	0.4
194.05847	53.9
195.06055	0.3
209.08200	100.0
210.08510	0.7
233.06717	0.5
329.12540	0.6
475.18317	3.1
607.22467	83.3
608.22906	1.5
742.46606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00881	0.7
85.02956	2.5
86.79959	0.1
87.00883	0.6
89.02451	0.3
93.03467	0.3
95.01405	1.1
97.02952	0.4
99.00903	1.0
103.00359	0.5
111.00883	0.3
113.02460	3.8
115.00417	0.4
117.01942	0.3
117.03471	1.4
119.05024	0.4
123.00908	0.2
129.01955	0.2
136.01724	0.3
136.98811	0.7
137.02464	0.6
139.00398	0.5
143.05035	0.7
145.02971	1.8
151.03992	0.3
157.06586	0.4
163.00368	0.8
164.01219	0.2
165.01955	0.6
166.99930	0.4
167.05049	0.3
169.06633	0.9
169.07848	0.2
171.04546	1.8
173.06108	0.2
175.02502	2.0
183.04506	0.2
185.06107	2.3
187.04012	3.7
189.05576	0.4
190.99861	0.6
192.00697	0.7
195.04518	0.4
196.05281	0.2
197.06168	0.8
199.03960	0.5
205.98819	0.2
211.03964	0.7
212.04636	0.2
213.05594	6.4
215.03549	1.2
217.05043	0.5
223.04012	0.3
227.03590	0.2
228.04233	0.3
229.05095	2.0
239.03505	1.4
240.04346	0.8
241.05067	3.6
243.03062	0.2
255.03096	1.0
256.03790	0.5
257.04562	1.8
267.03000	0.5
268.03845	0.3
283.02490	1.4
284.03314	2.9
285.04071	100.0
286.04428	1.5
399.07239	0.5
461.07312	65.2
462.07730	1.2
463.07846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00889	1.1
80.17907	0.5
81.03471	0.6
83.01383	4.5
85.02463	1.1
85.02957	17.3
87.00886	2.7
89.02473	1.8
93.03471	1.7
95.01398	7.6
97.02978	2.8
97.06586	0.8
99.00893	6.6
99.04533	0.6
101.02454	13.0
103.00393	1.4
109.02950	1.9
110.00116	0.9
111.00900	6.8
113.02457	24.5
115.00368	0.6
117.01952	1.0
119.05039	30.6
120.05357	0.7
123.00876	3.7
124.01656	2.1
124.98842	0.9
125.02449	4.2
129.01939	0.9
135.00891	0.9
136.01701	0.6
136.98822	4.8
137.02451	1.5
139.00392	19.6
141.01965	3.5
143.03523	5.3
145.02998	1.0
149.02446	0.7
152.01152	1.0
153.01945	34.1
159.03058	1.5
161.04575	11.0
164.98302	2.0
165.98726	0.9
166.79564	0.5
166.99876	26.4
173.06122	1.0
175.02502	10.9
181.01443	15.9
189.05595	0.6
191.33241	0.6
193.01448	3.4
193.03564	1.9
201.05620	0.9
225.05579	0.7
241.05103	1.1
243.06647	2.0
259.06143	3.9
269.04547	6.5
275.20142	0.8
285.04077	9.7
285.06992	0.9
286.04462	4.3
287.05634	100.0
288.05807	0.7
303.56485	0.5
307.22870	2.6
317.05151	1.8
319.22775	7.2
325.24017	1.2
337.23843	14.4
355.24966	1.5
365.77478	0.6
371.96887	0.6
406.48404	0.6
451.27225	1.3
461.07330	2.2
462.07761	1.8
463.08859	65.7
463.26468	2.7
481.28149	8.7
499.29184	97.4
500.29636	2.7
517.30273	22.2
518.30640	0.8
543.27893	4.5
559.31256	69.7
560.31622	2.4
603.30090	1.8
623.18903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.6349
Annotation	Unknow
Peak:m/z	Relative Intensity
76.43668	0.1
79.78553	0.1
79.95756	0.6
96.96027	1.3
98.21825	0.3
114.29356	0.2
133.06589	0.2
168.35315	0.2
170.00471	0.2
182.99693	0.3
183.01224	4.8
184.02007	0.7
189.47681	0.2
197.02789	21.6
198.03569	4.9
211.04393	0.7
212.05225	0.2
226.06676	0.2
230.02544	1.6
239.07596	0.2
253.09183	0.2
282.48645	0.2
309.17453	2.4
311.16934	2.9
325.18442	100.0
326.18820	2.2
327.18140	0.7
563.57709	0.2
638.78271	0.2
844.16400	0.2
964.89618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
79.27802	0.4
79.58059	0.3
83.01379	0.5
85.02966	5.8
89.02458	1.4
95.01395	2.2
99.00924	0.4
101.02453	0.6
105.03493	0.4
113.02458	13.1
117.03491	1.0
119.03473	0.4
119.05054	0.9
123.04564	1.4
132.02191	1.9
133.02968	25.0
135.04533	13.9
136.98802	0.5
139.00339	0.6
151.00316	0.7
152.01198	0.9
161.02460	69.1
164.98318	0.7
175.02492	0.7
179.03506	4.7
179.07054	0.4
186.56625	0.4
233.04491	0.5
241.07713	0.4
251.05678	0.6
269.04565	6.3
285.04077	7.1
286.04608	0.8
287.05063	0.5
315.10895	1.8
380.82422	0.4
388.45007	0.4
445.07687	1.1
461.07376	1.8
461.16721	5.6
463.08749	0.5
623.19867	100.0
624.20111	2.1
778.77222	0.5
902.80255	0.5
929.68433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02917	0.3
92.99828	6.6
99.00884	47.4
111.00861	0.4
113.02466	0.4
123.00896	54.9
127.05549	0.4
133.02936	0.4
133.52769	0.3
135.04498	0.3
136.98813	0.3
139.00337	0.3
151.05525	0.3
161.02454	1.2
164.98271	0.2
166.99854	0.6
167.05023	1.3
171.04543	2.7
194.99356	83.8
195.04198	1.7
195.99742	0.5
199.04002	0.4
199.19333	0.3
209.94647	0.2
223.03957	0.8
227.03525	0.3
239.03473	1.1
256.91891	0.3
257.04547	0.6
267.03000	6.1
285.04172	0.4
299.05609	100.0
300.05936	1.0
301.03525	0.5
308.84479	0.3
401.37030	0.3
431.14850	0.3
463.08627	0.3
477.43427	0.3
564.62738	0.3
768.18445	0.3
769.25555	1.3
1069.34436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02917	0.3
92.99828	6.6
99.00884	47.4
111.00861	0.4
113.02466	0.4
123.00896	54.9
127.05549	0.4
133.02936	0.4
133.52769	0.3
135.04498	0.3
136.98813	0.3
139.00337	0.3
151.05525	0.3
161.02454	1.2
164.98271	0.2
166.99854	0.6
167.05023	1.3
171.04543	2.7
194.99356	83.8
195.04198	1.7
195.99742	0.5
199.04002	0.4
199.19333	0.3
209.94647	0.2
223.03957	0.8
227.03525	0.3
239.03473	1.1
256.91891	0.3
257.04547	0.6
267.03000	6.1
285.04172	0.4
299.05609	100.0
300.05936	1.0
301.03525	0.5
308.84479	0.3
401.37030	0.3
431.14850	0.3
463.08627	0.3
477.43427	0.3
564.62738	0.3
768.18445	0.3
769.25555	1.3
1069.34436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01440	0.3
85.02952	0.2
89.56496	0.2
89.57124	0.2
93.03496	0.4
99.00912	0.2
107.01503	0.2
111.00922	0.9
113.02483	0.3
117.03463	2.2
119.05061	0.8
126.93187	0.2
131.05103	0.3
133.06682	0.2
135.04552	1.2
136.98788	0.3
139.00401	0.8
145.03070	0.3
147.04582	0.5
149.02408	0.4
149.06120	0.3
159.04526	0.4
161.02483	1.2
161.06079	0.2
163.04034	0.8
164.98340	0.3
175.02597	0.3
175.04007	0.8
177.01976	0.3
177.05634	0.8
179.03474	0.2
187.04132	0.2
189.02017	0.5
189.05666	0.2
191.03571	0.8
197.06227	0.2
203.03539	0.7
205.05077	0.4
210.06775	0.3
215.03607	0.3
221.04561	0.3
233.04562	0.2
238.06483	0.2
239.03647	0.2
239.07040	0.2
245.04619	0.5
251.07291	0.3
253.08774	0.3
267.06567	0.3
268.07477	0.6
281.04449	0.3
282.05389	1.5
283.03439	0.3
283.06079	1.5
295.06161	2.5
296.06915	2.2
297.07709	12.7
298.07922	0.4
299.02066	0.6
300.02371	0.3
301.03577	5.9
303.02634	0.2
307.06076	1.3
309.07828	1.3
311.05673	1.3
321.07364	0.3
323.05576	2.2
324.06427	0.4
325.07159	4.9
328.05945	1.2
335.05630	0.9
337.07126	1.7
351.05084	0.4
353.06699	29.1
354.07086	0.6
355.08130	0.7
356.05347	0.5
365.06674	2.5
367.08472	0.3
369.01459	0.2
381.06314	0.3
383.07767	15.3
384.08191	0.5
395.07617	1.9
397.09210	0.4
413.08789	1.8
419.07654	0.4
425.08838	1.0
443.09473	0.3
455.10095	0.3
473.10962	6.4
477.06931	1.7
485.11185	0.4
503.11942	2.3
515.12158	0.2
575.14380	0.2
593.15179	100.0
594.15497	3.4
595.15704	1.0
765.20215	0.2
885.35706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
74.61325	0.4
75.61354	0.5
83.01393	3.6
96.00919	2.8
96.18257	0.5
103.59332	0.5
107.01404	4.8
108.00941	0.9
135.99364	1.0
136.00417	19.7
136.01526	1.0
145.06630	3.5
148.71617	0.6
151.00374	7.9
163.99910	19.2
164.01097	1.1
169.01428	0.6
169.06606	2.3
171.04524	2.9
172.05307	0.8
177.02013	1.0
180.08264	0.9
183.08253	0.6
185.06085	1.7
187.07668	1.9
198.05540	0.7
211.07614	2.4
213.05606	7.5
219.94826	0.5
224.07129	1.9
226.05151	1.9
227.07191	1.0
240.06610	3.6
255.06642	80.9
268.06158	52.6
269.06555	0.9
425.80930	0.5
522.53235	0.6
524.13550	100.0
525.13898	2.2
529.96472	0.5
546.11652	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	1071.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00880	0.3
83.01402	0.7
85.02955	6.5
87.00893	0.3
89.02469	1.8
93.03488	0.4
95.01395	2.5
95.05046	0.2
99.00871	0.4
101.02468	0.8
105.03488	0.6
107.01409	0.8
107.05076	0.3
108.02204	0.2
109.03045	0.2
111.00907	0.4
113.02457	13.8
114.02862	0.2
117.03478	0.9
119.03539	0.5
119.05028	2.0
119.06464	0.2
123.04554	1.2
132.02167	2.4
133.02966	25.7
134.03754	0.6
135.04533	15.1
136.04880	0.3
136.98853	0.3
139.00391	0.8
140.00667	0.2
141.03395	0.3
143.03500	0.3
145.03011	0.2
151.00404	2.7
153.05602	0.7
161.02454	73.6
162.02789	0.9
165.02072	0.3
171.04514	0.2
175.02496	1.1
177.01918	0.3
177.05507	0.3
179.02037	0.4
179.03517	4.6
180.03874	0.3
223.04051	0.2
233.04582	0.5
245.04491	0.2
251.05646	0.9
269.00943	0.4
269.04703	0.3
271.06085	3.4
272.06485	0.4
285.04099	2.3
286.04410	1.3
287.04675	0.4
297.00418	1.0
297.09790	0.7
315.10889	1.8
375.14453	1.2
447.09146	1.2
448.09964	0.4
461.07040	0.7
461.16724	5.6
462.07703	0.6
480.19321	0.2
579.20740	0.4
621.18372	0.7
622.18738	0.3
623.19818	100.0
624.20099	3.3
625.20422	0.9
841.17877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1080.6641
Annotation	Unknow
Peak:m/z	Relative Intensity
75.66188	0.6
77.69109	0.6
78.95911	5.6
95.89609	0.7
99.28163	0.6
101.32848	0.7
125.51538	0.6
152.99591	2.9
168.04330	2.2
224.06900	1.2
242.08005	3.4
279.23309	100.0
280.23633	1.7
284.78720	0.7
433.23535	0.7
504.31018	99.6
505.31354	1.8
561.26111	1.0
561.33136	28.0
562.33350	0.8
607.16022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00887	1.0
85.02957	6.4
85.03480	0.3
87.00882	0.7
88.02795	0.2
89.02458	0.7
89.04005	0.2
95.01395	2.8
99.00891	1.7
100.01086	0.2
101.02478	0.3
103.00386	1.0
105.03459	0.2
108.37238	0.2
111.00890	0.2
113.02464	15.4
115.00375	0.5
117.01956	0.7
117.03487	0.3
118.82420	0.2
122.88197	0.2
123.00892	0.5
129.01971	0.4
132.02168	0.7
133.02971	7.6
134.03702	0.4
135.04501	0.9
136.98819	2.0
139.00354	0.9
139.05656	0.2
141.07111	0.8
143.05058	0.6
151.05508	0.3
157.01419	0.2
157.06601	0.3
161.02460	20.8
166.99873	0.4
167.05045	0.5
169.06612	2.4
171.04541	0.8
171.08278	0.2
175.02493	9.3
179.03552	0.5
179.05034	0.3
185.06128	0.4
189.90791	0.2
195.04530	1.5
196.05310	0.5
197.06122	2.3
199.04077	0.3
207.04608	0.2
213.05569	1.1
221.09337	0.2
222.03183	0.2
223.04042	2.8
224.04832	0.3
225.05603	0.8
239.03500	0.6
240.04190	0.3
241.05095	3.1
251.03499	2.3
267.02985	1.3
268.03329	1.0
269.04568	100.0
270.04932	0.8
311.05701	0.4
445.07767	16.0
446.08047	0.2
475.17917	0.2
637.21423	24.3
638.22089	0.5
747.22961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00885	1.2
77.00895	0.1
77.34077	0.1
83.01372	0.1
84.02143	0.1
85.02956	5.5
87.00887	0.5
89.02437	0.4
92.99828	0.2
95.01392	2.6
96.99324	0.2
98.21903	0.3
98.37054	0.1
99.00893	1.9
101.02435	0.2
101.03968	0.2
101.45707	0.1
103.00380	1.1
108.99374	0.1
109.11658	0.1
111.00928	0.1
113.02457	14.5
115.00401	0.4
117.01967	0.4
117.03455	0.1
123.00909	0.4
127.27922	0.1
129.01939	0.3
133.02946	0.9
134.03786	0.2
135.04515	0.4
136.98814	2.4
139.00374	0.9
141.07092	0.8
143.04987	0.6
145.02940	0.3
148.04408	0.1
149.99571	0.1
151.00377	0.1
151.05560	0.3
153.07143	0.1
155.05055	0.1
157.01407	0.3
157.06569	0.2
160.01698	0.5
161.02461	3.5
164.98308	1.6
166.99789	0.6
167.05095	0.6
169.06599	2.5
171.04524	0.9
171.08205	0.4
173.06142	0.2
175.02499	8.6
175.03951	0.5
177.99036	0.3
179.04984	0.2
183.04422	0.1
185.06070	0.3
193.05241	0.1
195.04547	1.6
196.05251	0.3
197.06096	2.6
199.04016	0.4
201.05624	0.1
207.04532	0.4
213.05615	1.1
223.04025	2.9
224.04739	0.2
225.05579	1.1
227.03546	0.1
229.24959	0.1
239.03561	0.6
240.04149	0.4
241.05099	2.9
251.03491	2.3
267.02908	1.4
268.03470	0.9
269.04556	100.0
270.04929	1.1
311.05554	0.3
313.18277	0.1
341.06503	0.1
445.07779	16.1
461.16492	0.2
637.21423	8.5
638.21722	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	1085.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01121	2.6
79.01896	0.9
85.02933	1.1
91.01900	1.9
93.03472	1.6
93.89761	0.7
94.69155	0.8
95.01390	0.9
96.42787	0.6
99.00864	1.1
110.00088	2.0
111.00893	2.3
113.02434	1.9
121.02971	0.8
123.00871	1.6
124.01700	3.8
125.02473	2.0
136.01627	1.5
136.98810	1.6
137.02463	1.0
137.99577	1.5
138.03296	1.1
139.00391	2.3
150.03236	4.6
151.00357	1.2
152.01143	2.2
153.05594	0.9
156.16840	0.9
157.06622	0.8
157.55353	0.8
161.02463	0.8
163.00383	1.3
164.04765	0.8
164.98389	1.2
165.01920	2.7
165.99101	1.5
171.04593	4.3
173.02478	1.0
173.06097	5.6
177.01910	1.3
177.99075	2.6
178.02681	2.1
181.06671	2.0
191.03506	1.8
193.01486	1.5
193.03549	2.2
198.06879	1.0
199.03987	1.0
199.07530	0.8
201.02011	1.6
203.03441	1.2
204.04167	0.9
205.05083	1.4
211.07693	1.0
213.05611	1.1
215.03664	1.3
219.03101	1.1
221.08144	1.9
225.05533	3.9
227.07167	1.7
229.05006	6.1
230.05856	0.8
234.05333	0.8
241.05037	2.0
241.08751	1.0
243.06628	17.7
250.04851	1.5
251.07219	1.1
253.05093	6.3
254.05589	0.9
255.06703	3.4
267.06674	3.9
269.04623	3.7
269.08188	12.8
270.05267	2.1
271.06143	30.1
277.07043	2.4
279.06625	2.3
281.04556	3.3
282.05341	1.9
283.06158	4.8
288.02805	0.9
295.06180	2.9
297.07703	17.0
299.01758	1.2
325.03238	0.9
331.04675	1.2
357.06122	1.7
375.08429	1.7
377.06802	0.7
386.08057	1.5
391.08243	2.0
392.08795	0.9
406.10455	1.3
407.11292	3.8
414.07495	1.5
420.08566	2.0
421.12958	10.4
429.09714	3.3
431.11670	1.0
433.13153	4.4
434.10242	1.1
435.10840	31.7
443.11673	0.8
447.09366	13.0
449.12430	19.7
461.12448	44.0
473.10681	1.2
579.12878	1.2
589.06097	0.9
611.14001	2.4
637.15228	0.9
715.18512	3.1
733.19330	100.0
734.19977	3.5
909.22333	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	1085.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00875	0.5
83.01398	0.9
85.02956	5.7
87.00911	0.5
89.02451	1.2
89.03994	0.3
93.03438	0.5
95.01397	3.4
99.00903	1.0
101.02475	0.4
104.02705	0.4
105.03453	0.4
107.01383	0.4
111.00893	8.8
113.02454	11.3
115.00439	0.4
117.03519	1.6
119.05043	5.2
121.02899	0.3
123.00912	2.1
123.04568	0.6
124.98819	0.3
125.02467	1.1
132.02174	1.6
133.02966	21.2
135.04538	6.7
136.98825	2.7
137.02438	0.7
139.00386	9.6
143.05029	0.9
145.03030	0.3
151.00301	1.8
151.57863	0.3
153.05582	0.6
157.06621	0.5
161.02457	49.6
162.02846	0.4
163.00351	0.3
164.98308	3.5
165.01990	0.6
165.99007	0.4
166.99872	4.1
167.05016	0.9
169.06630	1.0
171.04524	1.3
173.06094	0.5
175.02496	3.1
177.03546	0.3
178.99883	0.8
179.03539	1.1
183.04538	0.5
185.02443	0.9
185.06123	1.7
187.04030	0.7
192.00697	0.5
195.04544	1.2
197.02473	0.3
197.06134	0.3
199.04025	1.2
199.11906	0.3
211.04060	1.3
213.05594	1.4
217.05093	1.1
223.04004	1.6
225.02034	0.5
229.05008	0.5
231.92926	0.3
239.03452	2.0
241.05028	1.0
243.03023	0.8
255.02995	0.7
256.03491	0.4
257.04321	0.5
267.03043	1.1
283.02478	2.5
284.02927	1.1
285.04065	100.0
286.04529	1.4
315.10742	0.8
327.05042	0.6
405.09668	0.5
406.10568	0.4
439.50494	0.4
461.07285	21.8
461.16486	2.6
462.07498	0.5
467.36957	0.3
581.13373	0.4
623.19836	87.9
624.20990	1.3
681.61450	0.3
1079.87256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00873	0.8
85.02959	4.1
87.00884	0.8
89.02420	0.7
95.01395	1.5
96.99338	0.1
99.00877	1.2
101.02457	0.2
103.00331	0.3
106.74740	0.1
110.00139	0.2
111.00917	0.5
113.02460	6.2
115.00369	0.5
117.01936	0.4
117.03453	1.1
119.05029	2.0
123.00902	0.4
123.04544	0.2
129.01924	0.2
132.02173	0.4
133.02969	6.9
134.03737	0.1
135.00938	0.1
135.04532	2.9
136.98816	1.2
137.02470	0.4
139.00392	0.6
143.05029	0.4
145.03006	0.7
153.05557	0.2
155.05173	0.1
157.06592	0.5
159.04527	0.4
161.02458	22.5
162.02739	0.2
163.00508	0.2
164.98282	1.1
165.01941	0.3
165.99142	0.3
166.99908	0.7
167.05025	0.6
169.06557	0.5
171.04521	0.8
173.06078	0.2
175.02493	1.4
179.03511	0.7
183.04514	0.5
185.06082	2.1
187.04021	1.4
187.07719	0.2
190.99977	0.2
192.00673	0.4
195.04518	0.6
197.06070	0.4
199.04033	0.3
201.05627	0.3
211.04031	1.8
212.04808	0.2
213.05574	3.2
215.03537	0.5
223.03951	0.3
229.05057	1.0
232.52689	0.1
239.03491	2.9
240.04225	0.4
241.05063	1.5
255.02995	0.3
256.03940	0.2
257.04575	0.7
267.02930	1.6
269.04578	0.2
283.02472	0.6
284.03287	1.6
285.04059	100.0
286.04446	1.1
297.09653	0.3
315.10880	0.5
377.08765	0.2
420.14798	0.2
461.07291	53.8
462.08112	0.8
623.19836	39.6
624.20398	0.6
737.21161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00880	0.3
83.01386	0.6
85.02959	2.0
87.00898	0.3
89.02467	0.2
93.03467	0.5
95.01397	2.4
96.99356	0.1
99.00362	0.1
99.00873	0.6
103.00383	0.1
107.01403	0.7
109.02961	0.1
110.00114	0.3
110.70435	0.1
111.00891	10.7
113.02456	3.3
113.03265	0.2
115.00391	0.2
117.01920	0.1
117.03475	0.9
117.48962	0.1
119.05041	5.4
120.99340	0.1
121.02947	0.2
123.00887	1.6
123.04526	0.2
124.98848	0.2
125.02464	1.5
132.02202	0.3
133.02975	4.1
134.03754	0.1
135.00941	0.2
135.04535	2.4
135.05518	0.2
136.98798	1.8
137.02434	0.9
139.00389	13.4
141.07095	0.2
143.05058	1.0
145.06569	0.2
147.00877	0.2
151.00386	4.3
155.05020	0.2
157.03052	0.1
157.06598	0.3
159.04527	0.1
161.02458	13.0
162.02811	0.1
163.00418	0.3
164.98308	1.9
165.01955	1.2
165.99081	0.3
166.99866	3.5
167.01228	0.2
167.05052	0.7
169.01541	0.1
169.02965	0.3
169.06607	1.1
171.04544	1.2
173.06087	0.9
175.02472	0.4
178.99927	0.8
179.03525	0.6
179.05029	0.5
183.04575	0.1
185.02464	0.2
185.06102	1.1
187.04059	0.3
189.05548	0.3
190.99866	0.4
192.00699	1.0
195.04536	1.0
197.02582	0.1
197.06160	0.4
198.03236	0.4
199.03996	0.9
211.04030	0.4
213.05573	1.4
214.59431	0.1
215.03503	0.2
217.05016	1.0
223.04031	3.6
225.01942	1.3
226.02768	0.1
229.04999	0.2
233.04482	0.1
239.03508	1.6
241.04962	0.7
242.02231	0.7
243.03006	0.6
251.05479	0.1
257.04651	0.5
267.02994	1.0
283.02539	0.5
284.03055	0.4
285.04062	100.0
286.04434	1.0
297.09854	0.1
315.10818	0.3
461.07294	39.3
462.07748	0.4
623.19849	24.9
624.20898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00861	0.3
81.13984	0.1
82.53596	0.1
83.01399	0.6
85.02949	2.6
87.00877	0.4
89.02470	0.2
95.01393	1.8
98.22630	0.3
99.00893	1.0
103.00400	0.4
107.01431	0.3
109.02981	0.2
109.24276	0.1
110.00105	0.2
111.00888	7.6
113.02459	4.5
113.03259	0.2
117.01966	0.4
121.02938	0.3
123.00887	1.8
124.98795	0.3
125.02447	0.9
129.01987	0.2
133.01453	0.1
133.02962	0.7
134.03784	0.2
135.04533	2.6
136.98811	1.3
137.02472	0.4
139.00391	7.5
141.20348	0.1
143.05080	0.2
147.64873	0.1
149.02473	0.6
151.00406	0.9
157.06610	0.2
158.03731	0.2
159.04529	0.6
161.02443	0.6
164.98299	0.7
165.01929	0.6
165.99092	0.5
166.99875	4.0
167.04990	0.2
169.01338	0.2
171.04570	0.3
173.06046	0.3
175.02496	2.5
175.03941	0.3
177.01942	1.8
178.99870	0.4
182.03853	0.2
183.04536	0.7
185.02502	0.3
185.06102	0.5
185.08626	0.2
187.04010	0.9
189.05638	0.4
192.00682	0.4
193.01474	0.3
195.04578	0.2
199.04022	0.3
201.01964	0.6
201.05563	1.1
203.03474	0.2
205.05006	0.2
211.04004	1.3
213.02014	0.3
213.05598	0.4
214.02690	0.4
215.03569	0.8
227.03557	0.8
229.04999	0.7
231.02986	0.2
233.04543	0.7
237.01961	0.2
239.03540	1.3
241.01459	0.5
242.02211	0.2
243.95816	0.2
245.04584	0.3
255.03043	1.0
257.04675	0.4
258.01736	0.2
259.02499	0.8
273.04062	0.3
278.06882	0.1
283.02493	1.1
299.02124	0.5
300.02521	0.2
301.03546	100.0
302.03870	1.2
313.03433	0.2
343.04623	2.0
371.04428	0.2
373.05643	1.2
397.05780	0.2
415.06738	0.4
477.06763	26.3
478.07043	0.4
766.58929	0.2
1028.65442	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00879	2.0
85.02954	12.7
87.00876	1.6
93.68814	0.3
95.01392	3.9
96.99307	0.6
99.00884	4.6
101.02409	0.4
103.00388	2.4
110.00074	0.6
111.00894	0.8
112.68733	0.3
113.02456	29.1
115.00386	0.7
117.01949	1.2
119.05047	0.8
120.99275	0.5
123.04552	0.6
129.01950	0.8
133.02963	7.9
136.98813	4.6
139.00354	0.7
139.77130	0.3
152.01212	0.8
153.01985	0.7
157.01561	0.4
161.02452	0.7
164.98297	16.1
165.99080	2.1
166.99799	0.5
167.03474	1.5
175.02493	17.6
180.00655	4.0
181.01445	1.9
183.04584	0.7
185.02454	1.1
195.02989	0.9
197.00192	0.3
199.04086	0.5
201.01897	0.7
205.01451	0.5
211.03958	0.6
227.03500	1.8
230.99332	1.2
238.50633	0.4
245.00780	0.3
246.01715	1.5
253.01401	0.9
255.03082	0.8
261.03967	2.2
269.04504	1.8
270.05017	0.8
271.02478	5.4
285.04047	1.0
286.04837	0.6
287.05637	0.5
296.03241	0.6
297.04150	0.4
299.01984	55.8
300.02469	0.4
301.07187	0.6
312.06519	0.3
313.03668	1.7
313.07080	0.5
314.04343	36.9
315.04889	0.9
329.06677	100.0
330.06985	1.0
339.05002	0.6
345.69336	0.4
371.07947	0.8
393.03128	0.5
431.09848	0.8
432.09998	0.6
489.15649	0.4
505.09946	33.5
506.10333	0.6
565.22839	0.4
755.24335	0.9
902.91656	0.5
911.26526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0297
Annotation	Catechol
Peak:m/z	Relative Intensity
58.50702	0.1
64.00667	1.0
65.00347	0.3
65.03969	0.7
66.03492	2.0
67.01892	0.2
67.03017	0.4
69.87203	0.3
69.87563	0.3
80.02686	0.2
81.03470	3.4
82.03005	0.2
85.14566	0.1
91.01905	2.9
108.02189	17.7
109.02964	100.0
109.99950	0.6
110.02490	1.0
110.03308	5.1
111.18668	0.1
118.38485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0409
Annotation	Imidazole-4-acetaldehyde
Peak:m/z	Relative Intensity
54.84960	1.4
56.25788	1.5
58.74433	1.5
64.00674	2.3
66.03497	14.1
67.03012	5.7
68.01417	18.0
71.39639	2.1
79.03015	2.6
80.03809	21.8
81.02199	2.0
81.04588	67.5
82.03007	3.1
82.04920	2.7
90.14893	1.5
95.02506	9.0
97.04086	19.4
107.02538	16.9
108.02189	5.7
109.02988	20.7
109.04086	100.0
110.02472	6.0
110.04424	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	1091.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
76.29804	0.2
92.99816	2.1
98.21822	0.4
101.16122	0.2
104.92205	0.2
118.08266	0.2
120.99320	1.7
136.01625	0.3
136.98807	1.3
145.02911	3.3
151.03964	0.5
164.98270	0.5
167.05032	0.5
171.04533	4.5
195.04512	1.7
211.04071	1.3
231.28954	0.2
239.03505	49.8
240.03854	0.4
252.04344	0.4
267.02997	100.0
268.03314	1.2
269.04471	0.4
280.03693	0.5
281.04694	0.2
282.05347	93.4
283.02701	0.5
283.05753	0.9
295.06219	0.4
296.06924	0.5
297.07690	99.4
298.07938	1.2
313.07321	0.5
381.09866	0.6
381.51492	0.3
393.02866	0.2
564.46118	0.3
613.36182	0.2
752.77277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6795
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95912	5.4
98.22578	0.7
99.39998	0.3
113.40736	0.4
118.24110	0.3
151.99081	0.3
152.99617	1.1
168.04303	1.4
210.54701	0.3
224.06979	0.6
241.63940	0.3
242.08080	2.5
261.22488	0.4
279.23315	100.0
280.23563	0.8
504.31018	75.7
505.31161	0.9
519.27240	0.5
578.34875	3.0
720.41968	0.4
966.20319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.294
Annotation	Unknow
Peak:m/z	Relative Intensity
76.05257	0.1
83.01401	0.3
85.02955	6.6
87.00901	0.3
89.02457	1.5
89.03973	0.3
95.01387	2.3
95.04965	0.2
99.00883	0.3
101.02446	0.9
103.03981	0.1
104.02688	0.2
105.03471	0.5
107.05084	0.3
109.02971	0.3
113.02460	13.2
115.01926	0.3
117.03469	0.7
119.03512	0.3
123.04536	1.2
125.02448	0.2
131.03566	0.2
132.02174	2.1
133.02968	27.3
134.03726	0.6
135.04532	17.9
136.04877	0.4
143.02382	0.1
143.03543	0.4
144.77356	0.2
150.03255	0.2
151.03981	0.3
153.05573	0.6
161.02455	83.4
162.02800	0.5
163.00378	0.3
165.99065	0.2
166.56555	0.2
175.02478	0.3
177.05685	0.2
179.03500	5.5
180.03822	0.4
181.05162	0.3
189.05553	0.1
200.04716	0.2
233.04515	0.4
249.14117	0.1
251.05644	1.1
271.02374	0.2
273.31403	0.1
284.03268	2.4
285.03754	0.4
286.04465	0.3
297.09717	0.9
298.12195	0.3
299.02518	0.2
299.05649	1.0
300.06168	0.2
301.03442	0.2
315.10913	1.9
323.07651	0.2
342.11029	0.2
375.14441	2.3
397.71506	0.1
461.16690	7.2
475.04712	0.3
579.20667	1.1
621.18164	0.8
622.18658	1.0
623.19806	100.0
624.20117	1.8
626.28192	0.1
664.04187	0.2
737.72675	0.2
763.77826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.6
85.02957	7.9
87.00874	1.0
89.02454	0.5
95.01398	4.1
96.99334	0.3
98.22637	0.3
99.00889	3.4
101.02414	0.2
101.77592	0.1
103.00391	1.4
108.02184	0.6
109.02958	0.3
110.00064	0.2
111.00891	3.5
113.02462	19.5
115.00376	0.4
117.01951	1.0
117.03396	0.2
121.68581	0.2
122.02493	0.4
123.00912	1.1
124.01675	8.0
124.98806	0.2
125.02505	0.2
129.01938	0.5
135.00847	0.2
136.01671	2.6
136.98822	2.8
139.00389	5.5
141.07143	0.2
152.01164	7.2
153.01917	0.3
153.07129	0.3
156.00644	0.6
156.05843	0.2
157.01410	0.4
157.06595	0.9
164.98267	0.4
165.07115	0.5
166.99869	3.3
167.05038	0.2
171.08218	1.0
173.06081	2.2
175.02498	10.8
176.39612	0.2
180.00615	0.6
181.06628	1.0
183.08162	0.2
185.06097	1.7
193.01511	0.9
193.03172	0.2
197.06050	0.6
199.07611	0.9
201.05629	0.7
209.06096	1.0
210.03218	0.2
215.07210	0.3
225.05594	4.0
227.07143	2.4
229.05066	0.8
243.06625	31.4
244.06996	0.4
253.05075	5.7
269.04568	0.8
270.05069	0.4
271.06131	100.0
272.06485	0.9
285.04095	0.2
369.13617	0.2
447.09366	20.1
448.09396	0.2
482.23038	0.2
517.30444	0.2
651.26038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.309
Annotation	Unknow
Peak:m/z	Relative Intensity
82.00605	0.5
83.01421	1.2
85.02952	1.7
87.00900	0.5
88.21928	0.2
89.02457	0.3
93.03458	0.9
95.01385	2.1
96.99326	0.6
97.02975	0.4
98.21815	0.4
99.00891	2.6
107.01410	0.5
109.02982	0.5
110.00121	2.6
111.00890	10.7
113.02458	2.3
117.03504	0.4
119.05044	8.7
121.02939	0.4
123.00890	2.8
124.01677	0.7
125.02456	0.8
129.01939	0.3
133.02988	0.6
134.03737	0.6
135.00896	0.4
135.04526	2.2
136.98819	2.8
137.02470	1.0
137.99580	0.9
139.00392	16.7
141.01964	13.0
143.05028	0.9
145.02975	0.6
149.02451	0.4
151.00394	2.1
151.04108	0.3
152.01146	0.4
153.01958	9.2
157.06558	0.3
159.04565	0.4
160.01674	0.3
161.02449	0.7
161.06015	0.3
163.00450	0.4
164.98277	1.8
165.01913	0.7
165.99104	2.8
166.99884	11.7
171.04607	0.5
173.02429	0.3
175.00516	0.2
175.02480	0.8
175.03992	0.5
177.01936	1.0
178.99872	0.5
179.05336	0.3
181.01457	4.7
183.04512	0.5
185.02423	0.3
185.06111	0.5
187.04051	1.5
189.05563	0.7
192.00671	1.0
193.01447	2.0
195.04576	0.5
197.06107	0.4
199.03911	0.2
200.04846	0.4
201.02039	0.4
201.05580	1.5
211.04060	1.3
213.01869	0.4
213.05704	0.5
214.02705	0.4
215.03551	1.3
225.05638	0.2
227.03441	0.7
229.05127	0.8
233.04509	0.3
239.03531	2.4
241.01443	0.4
241.05003	0.5
242.02425	0.2
243.06537	0.4
245.04546	0.4
255.03058	1.1
257.04544	0.7
259.02484	0.4
259.06113	1.4
267.02948	0.5
269.04562	1.1
273.04196	0.3
283.02521	1.4
285.04041	2.6
286.04684	2.6
287.05640	24.1
299.01849	0.4
300.02783	3.8
301.03564	89.7
302.03879	0.5
317.05164	4.1
340.06790	0.2
348.90726	0.2
415.80673	0.2
429.12430	0.5
460.48825	0.2
461.07199	0.5
462.07434	0.7
463.08878	100.0
464.09241	1.3
591.34698	0.3
637.21649	0.7
671.29895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
82.00645	0.2
83.28939	0.2
85.02959	5.9
89.02444	1.4
89.03996	0.2
95.01402	2.7
97.03876	0.2
99.00902	0.6
101.02441	1.1
103.04057	0.2
104.91687	0.2
105.03464	0.7
107.04993	0.3
110.00134	0.6
113.02464	12.2
117.03493	0.6
119.03525	0.4
119.05021	0.6
123.04536	0.9
132.02194	2.2
133.02975	24.5
134.03764	0.4
135.04544	14.2
137.99612	0.3
153.05592	0.9
161.02463	68.5
162.02806	0.5
165.99101	1.5
166.99904	0.4
175.02510	0.8
179.03503	3.8
180.00641	0.3
181.01414	0.5
233.04411	0.5
251.05669	0.5
269.04718	0.3
286.04871	1.5
297.09784	0.6
301.07205	2.0
309.07715	0.3
315.10919	2.1
327.12161	0.2
336.04059	0.2
452.83713	0.2
461.16699	5.3
477.10336	0.6
504.08374	0.3
623.19855	100.0
624.20099	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	1103.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02961	5.0
89.02483	1.1
95.01398	2.1
111.00883	1.4
113.02454	10.8
117.03396	0.9
123.04507	1.4
132.02203	3.2
133.02966	33.3
134.03705	1.0
135.04535	18.6
136.98854	0.8
139.00356	2.5
141.01988	0.9
150.09648	0.6
153.05574	0.9
161.02455	92.9
162.02869	1.2
164.98247	0.9
179.03523	4.7
180.03836	0.9
215.49443	0.6
257.04227	0.7
283.02316	0.9
297.09976	0.9
301.03546	9.8
302.03882	5.4
303.04630	1.8
315.10867	1.2
461.16608	4.4
477.06619	2.9
478.06937	3.7
479.08203	6.2
621.18182	0.9
622.18695	1.1
623.19818	100.0
624.20087	2.2
811.02454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
52.61760	1.1
55.01882	23.7
55.14431	1.1
61.79349	1.3
67.01895	38.5
67.79595	1.3
68.02238	1.8
69.72914	1.3
70.11388	2.1
70.11702	2.0
71.01378	1.5
78.95911	100.0
79.95746	3.7
83.01392	53.7
84.01731	1.2
101.75465	1.1
110.89925	7.2
110.97585	12.7
110.98415	2.2
111.00890	57.9
111.02038	5.4
112.01207	1.7
112.04062	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
78.86783	0.2
80.40153	0.2
83.01384	0.5
84.25146	0.2
85.02959	1.3
87.00884	0.3
93.03500	0.3
95.01403	1.6
98.21950	0.2
99.00894	0.8
102.01177	0.2
105.63350	0.2
107.01368	0.6
110.00148	0.6
111.00892	7.3
113.02458	2.0
116.77948	0.2
117.03485	0.8
119.05035	4.2
121.02928	0.3
123.00888	1.7
124.98860	0.3
125.02448	0.9
133.03035	0.5
135.00882	0.2
136.98830	1.8
137.02464	0.7
139.00386	9.3
140.83162	0.3
143.05096	0.3
143.61115	0.2
145.06679	0.3
151.00388	2.9
161.02443	1.0
163.00417	0.3
164.98268	1.4
165.01918	0.8
165.99089	0.7
166.99883	2.9
167.05022	0.6
169.02827	0.2
169.06601	0.8
171.04506	0.6
173.06088	0.6
175.02475	0.9
178.99937	0.4
179.04985	0.5
183.04636	0.2
185.06085	0.8
187.03879	0.3
190.99867	0.3
192.00652	0.7
195.04526	0.9
197.06073	0.4
198.03217	0.4
199.03961	0.9
211.03992	0.7
213.05624	0.9
217.05067	0.7
223.04008	2.8
225.02003	0.6
239.03522	0.9
241.05022	0.5
242.02176	0.6
243.03049	0.4
255.02931	0.3
257.04617	0.3
267.03024	0.8
283.02460	1.5
284.03226	0.9
285.04065	100.0
286.04449	0.7
298.04831	0.8
313.07159	0.5
321.36993	0.2
385.84894	0.2
461.07300	34.6
462.07852	0.4
475.12604	0.3
651.15851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
82.00613	1.3
84.54710	0.3
85.02957	12.6
87.00889	1.0
89.02474	2.2
89.04012	0.6
92.27507	0.3
95.01400	4.1
98.21814	0.9
99.00901	3.1
101.02443	1.6
101.13403	0.3
103.00388	1.4
105.03442	0.6
110.00104	15.9
110.05379	0.3
113.02462	25.7
115.00370	0.7
115.01849	0.7
117.01958	1.0
117.03462	1.8
119.03530	0.4
123.04512	0.4
127.66492	0.3
132.02173	3.8
133.02966	35.6
134.03751	1.3
135.04535	3.3
136.98807	1.6
137.99614	6.8
143.63454	0.4
149.06062	0.4
152.04813	0.5
157.01451	0.4
161.02457	85.7
162.02858	0.5
163.00340	0.8
164.01184	1.2
165.01424	0.4
165.99078	14.5
175.02496	12.3
175.03897	0.5
179.03523	1.4
183.04530	0.8
187.04047	1.5
190.99841	0.5
200.04825	1.5
211.04018	1.1
212.04831	2.1
214.02679	2.1
227.03497	1.3
239.03528	2.7
240.04144	0.4
255.02924	0.5
256.03720	0.7
267.02991	6.3
268.03445	0.5
269.04453	0.6
282.05365	0.4
283.02634	0.6
284.03281	88.0
285.03809	1.1
299.05615	100.0
300.06052	0.8
307.07590	0.4
329.20978	0.4
475.08905	15.9
475.18387	0.7
548.76080	0.4
565.25177	0.5
583.25964	0.6
625.27319	0.8
637.21417	82.7
638.21637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	0.4
83.01395	8.9
83.01901	0.4
85.02960	4.4
86.00102	0.5
87.00882	2.5
89.02457	3.8
95.01394	1.1
97.02967	1.9
99.00888	0.8
100.26123	0.3
101.02456	36.4
111.00893	0.3
113.02467	11.1
114.52991	0.3
118.60758	0.3
119.03528	4.4
121.77563	0.3
125.02467	4.8
131.03513	4.9
136.81264	0.3
143.03523	7.4
149.04568	7.1
149.05698	0.5
155.03540	2.0
159.03036	0.4
161.04582	17.5
179.05649	3.4
185.04572	0.7
191.64893	0.3
203.05634	15.5
221.06680	15.8
256.03854	0.3
258.36108	0.3
263.07742	13.0
305.08728	0.6
323.09802	0.5
347.09805	1.0
407.33246	0.5
427.36353	0.4
449.13013	0.3
455.35361	100.0
456.35849	2.0
469.36890	5.4
497.36444	4.9
509.15109	1.7
527.16345	1.3
527.37457	2.1
539.37726	1.4
569.17371	1.2
599.39471	0.9
659.42004	1.6
719.43915	1.0
923.50702	0.4
941.52020	0.3
965.51276	0.9
983.52417	1.7
1025.54541	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	1123.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95737	3.4
82.00591	1.1
83.89558	0.3
92.76142	0.3
97.30856	0.3
107.45458	0.3
110.00103	10.9
111.00901	3.7
123.00849	0.9
124.01637	0.8
125.02415	0.4
134.03766	3.1
135.04527	4.0
136.98795	0.6
137.02376	0.4
137.99597	5.2
139.00392	5.8
151.00322	1.0
153.01959	3.0
158.03760	0.5
158.85051	0.4
161.02406	0.4
164.01149	0.7
164.98270	1.0
165.99074	14.8
172.45396	0.4
178.99805	0.7
181.01418	1.7
183.04431	0.5
186.03343	0.5
187.03981	0.8
192.00636	0.8
193.01411	0.4
194.99348	0.6
200.04752	0.5
210.03273	0.6
211.04013	1.0
213.01974	0.9
214.02660	0.6
227.03590	0.7
228.04230	1.0
238.02525	0.4
239.03525	0.9
243.02921	0.7
255.02969	0.7
256.03842	1.6
258.01675	0.5
271.06100	0.7
282.01624	1.2
283.02408	1.0
285.04086	1.0
298.01254	1.9
299.05566	0.8
300.02765	59.7
301.03259	0.7
313.03461	1.8
315.05109	89.4
316.05334	0.9
350.04980	0.4
392.99619	0.6
393.99777	0.4
395.00787	100.0
396.01144	0.5
437.60583	0.4
466.47360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
80.00511	0.1
92.99813	0.2
96.99316	0.3
98.21844	0.3
108.99345	0.2
110.00098	0.3
111.00858	0.3
116.98051	0.1
117.03492	0.5
117.50439	0.1
119.04962	0.2
120.99259	0.2
123.00889	0.2
124.01669	0.9
133.02982	0.2
135.00900	0.2
136.97810	0.2
136.98811	3.5
139.00343	0.6
143.05028	0.3
148.78983	0.1
149.99646	0.3
151.00424	0.2
152.01144	1.7
152.12155	0.1
155.04987	0.1
163.00398	0.3
164.98303	8.6
165.99031	0.2
166.99898	0.2
167.04991	0.3
171.04501	0.1
177.99051	0.4
178.99844	0.4
180.00668	2.0
183.04523	1.9
185.02444	0.9
205.01462	0.2
211.04022	1.5
213.01926	0.2
215.03554	0.3
227.03569	0.6
229.76114	0.1
239.03519	0.5
241.05049	0.2
252.04221	0.2
255.03003	8.6
269.04575	1.9
270.05051	0.2
279.03232	0.2
281.04529	0.2
283.02493	56.0
284.02924	0.3
297.04050	2.6
298.04834	35.0
299.05292	0.3
313.07190	100.0
314.07458	0.9
325.03555	0.5
340.05807	0.2
355.08224	2.1
569.98273	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	1125.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01366	1.4
87.00850	1.8
93.03475	6.3
96.96021	1.8
98.22677	3.8
101.02442	4.6
113.02457	1.5
117.03480	32.3
119.05022	1.7
135.00883	3.4
135.04492	1.7
136.98831	1.8
141.23166	1.3
150.42395	1.3
159.04489	2.5
161.02455	1.3
175.11206	2.0
183.04549	2.8
185.02399	3.0
187.04004	1.9
200.04758	1.7
201.05537	2.7
213.05542	1.7
215.14488	2.5
217.12343	1.4
221.06639	3.1
227.03499	3.8
230.03560	1.3
236.04948	1.6
243.13911	1.9
245.11876	1.7
250.06369	2.7
255.02985	25.7
259.13449	4.0
261.05591	1.5
266.05817	1.8
275.07089	2.4
277.14462	6.1
277.21738	12.0
284.03494	1.8
285.14786	1.5
287.12915	3.7
309.17468	1.7
311.12946	3.6
320.07129	1.6
329.14069	8.3
361.18088	1.8
377.17599	5.2
387.16003	5.3
395.18860	2.1
403.15561	4.7
405.17148	14.5
421.16522	4.0
423.18082	2.0
431.15152	4.2
449.15851	3.9
692.52545	1.5
935.49689	2.0
945.49048	2.6
961.50122	1.7
963.49677	17.0
987.49481	15.7
1053.54590	7.3
1063.53271	9.5
1079.52527	19.9
1081.53894	12.9
1097.53418	1.7
1107.51782	100.0
1108.52319	3.7
1125.52856	64.4
1126.52832	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	1127.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
78.77028	0.4
83.01387	0.6
87.00862	0.4
89.02448	1.6
93.03468	3.7
95.01421	0.9
95.05043	0.4
95.87642	0.3
97.02984	0.4
101.02451	1.9
109.02934	0.5
112.71580	0.5
113.02492	0.9
117.03483	15.5
119.05036	0.8
121.02971	0.7
125.02430	0.6
134.03697	0.3
135.04543	1.8
137.02444	1.2
143.05023	0.4
145.02837	0.5
158.38484	0.4
159.04546	1.2
161.02451	1.1
161.04588	0.4
161.06053	0.6
169.05161	0.5
169.06577	0.8
172.05354	0.6
176.33124	0.4
185.06024	1.0
187.03989	0.8
189.05579	0.5
201.05566	1.0
211.13408	0.6
213.05618	0.9
221.06526	0.9
221.11861	0.9
223.13347	0.4
227.07050	0.9
229.05106	1.5
231.06651	0.5
237.05545	0.8
239.03349	0.5
239.07162	1.1
241.05063	2.0
245.11768	1.0
249.11362	0.6
250.06415	0.5
253.05095	0.6
255.06638	0.7
257.04535	2.2
261.15057	0.5
263.12952	1.0
265.05124	0.6
266.05838	0.9
267.06638	1.3
271.13501	0.8
277.21695	3.9
279.06744	0.5
285.14856	0.5
287.12860	1.1
289.14517	1.5
305.14066	0.5
313.14453	0.9
361.14331	0.6
361.18301	0.6
363.16092	1.1
377.13950	1.5
379.15524	1.0
381.16980	0.4
389.13843	1.5
395.14969	1.1
405.16937	1.9
407.14737	2.6
415.15326	0.6
423.18195	1.3
433.16422	2.0
451.17606	2.2
469.18494	0.6
572.71832	0.5
857.84589	0.4
867.33417	0.8
965.50848	0.8
1028.73169	0.5
1065.51270	0.8
1083.52625	0.9
1109.53052	7.2
1127.54395	100.0
1128.53223	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	1129.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02959	5.7
87.00876	0.3
89.02451	1.5
89.03970	0.2
94.57854	0.2
94.96331	0.2
95.01397	2.4
95.01949	0.3
98.22638	0.4
101.02447	0.7
105.03461	0.5
109.03020	0.3
113.02461	11.7
115.01908	0.4
117.03487	0.7
119.03535	0.5
123.04546	1.3
132.02209	2.3
133.02971	27.0
134.03841	0.5
135.04543	14.5
136.98889	0.3
137.05997	0.3
143.03519	0.2
153.05620	0.6
161.02463	74.3
162.02826	0.3
164.98331	0.6
174.34798	0.2
175.02460	0.3
179.03517	3.9
181.05099	0.3
198.85052	0.2
227.03386	0.2
233.04453	0.3
251.05576	0.6
271.02597	0.3
275.20532	0.2
285.04010	0.5
297.09860	0.8
299.02026	2.8
314.04251	1.3
315.10825	1.8
329.06680	2.0
461.16742	6.3
505.10059	0.4
623.19861	100.0
624.20276	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	113.0246
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01881	15.0
57.03453	35.0
59.35970	1.6
60.15643	1.8
64.72166	1.8
67.01878	4.4
69.59790	1.9
71.01400	2.5
72.15585	1.7
80.96365	2.8
83.01380	7.2
84.02173	15.3
85.02959	100.0
86.03283	5.0
93.27803	2.0
95.01363	3.2
109.99220	1.8
113.02457	15.0
113.03233	2.1
113.03533	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	113.0247
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01880	11.3
57.03453	31.1
58.09677	0.9
59.01390	1.4
66.03493	1.2
67.01899	4.1
68.01423	1.3
68.99574	49.6
69.03465	4.5
70.02984	1.7
71.01385	8.8
72.00935	4.7
78.95918	2.1
80.96352	2.9
83.01399	5.4
84.02172	17.1
85.02959	100.0
86.03308	2.9
95.01378	3.2
104.45250	0.9
112.97180	1.6
113.02464	22.5
113.03585	4.0
113.92708	1.2
114.01992	9.9
114.02747	1.5
114.05620	48.0
125.80972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.061
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01878	8.9
55.05084	2.7
57.03459	26.7
66.03535	3.8
67.01910	4.6
68.99573	33.1
69.03460	6.0
69.93466	8.7
70.02982	3.7
71.01401	10.7
72.00916	16.5
74.96435	5.6
83.01401	9.4
84.02180	12.7
85.02960	80.7
86.02509	3.0
86.03307	5.0
112.93873	3.3
113.02468	35.5
113.03232	3.2
113.03610	6.8
113.04346	3.3
113.06100	100.0
114.01971	15.5
114.05638	37.1
114.06392	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	1131.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.7
85.02954	3.9
86.29886	0.1
87.00874	1.1
89.02452	2.5
91.00647	0.1
93.03471	0.4
93.14593	0.1
95.01392	1.5
97.02966	1.0
98.22668	0.4
99.00885	1.4
101.02453	3.0
103.00412	0.2
109.02930	0.2
111.00861	0.8
113.02460	5.2
115.00391	0.4
115.04071	0.2
115.50795	0.1
117.01974	0.3
117.03471	1.7
119.03519	0.3
119.05016	0.6
121.02934	0.2
123.00903	0.4
125.02471	1.5
127.11323	0.1
129.01990	0.2
131.03523	1.1
133.02986	0.2
135.00882	0.2
136.98807	0.4
137.02438	0.6
139.00380	0.5
143.03503	0.6
143.05046	1.0
145.02963	1.9
147.00931	0.2
147.04559	0.3
149.04552	0.7
155.04996	0.1
156.05800	0.1
157.06563	0.7
159.03093	0.2
159.04517	0.2
161.04576	1.3
163.00385	0.9
164.01152	0.3
164.98311	0.3
165.01956	0.9
166.99870	0.4
167.03702	0.1
167.05032	0.6
168.05791	0.2
169.06599	0.9
171.04539	1.5
173.06168	0.2
175.02487	1.7
179.05611	0.1
183.04503	0.3
185.06107	2.5
185.15576	0.1
187.04019	4.6
188.27740	0.1
189.05554	0.7
190.99925	0.4
192.00687	0.9
195.04533	0.7
196.05376	0.2
197.06070	0.9
199.04008	0.7
200.04785	0.2
201.05594	0.4
211.04054	1.0
212.04637	0.2
213.05588	7.4
214.02679	0.1
215.03516	1.4
217.04993	0.6
221.06859	0.1
223.04056	0.3
227.03578	0.3
228.04208	0.2
229.05075	2.5
229.48782	0.1
233.06712	0.2
234.14137	0.1
239.03470	1.3
240.04266	0.8
241.05083	3.6
243.03050	0.3
255.03058	0.8
256.03845	0.6
257.04572	1.9
267.02927	0.5
268.03827	0.4
283.02533	1.1
284.03308	2.7
285.04065	100.0
286.04446	1.2
289.16644	1.0
399.07419	0.3
421.20773	2.5
433.21109	0.4
451.21671	0.1
461.07297	55.0
462.07901	0.7
463.21939	0.2
565.25024	8.0
583.26117	14.5
584.26135	0.2
625.27142	15.9
626.27734	0.2
797.61877	0.1
991.79077	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	1131.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07855	3.6
113.06097	6.1
115.04015	29.1
124.01669	4.1
139.04007	20.8
285.21518	3.7
421.23450	4.8
455.48035	4.1
487.23407	42.1
523.21082	12.0
547.26001	7.1
583.14160	7.1
583.23279	100.0
980.92181	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	1131.5384
Annotation	Unknow
Peak:m/z	Relative Intensity
85.06594	2.8
93.07101	0.7
95.04514	0.3
95.05021	1.9
97.06602	2.3
100.01718	0.5
107.05006	1.0
108.02172	2.4
109.02979	0.4
113.06102	29.1
115.04045	2.1
115.44120	0.3
119.04996	0.4
119.07835	0.6
119.08678	11.0
121.06602	0.7
122.02504	0.3
123.08187	0.6
125.01634	0.5
125.02455	5.5
135.04539	0.5
135.08231	0.5
137.06039	0.4
139.04027	26.4
145.10237	1.7
157.05072	6.0
163.07660	31.7
163.11304	1.6
208.63930	0.4
211.14954	1.1
213.12706	0.6
213.16273	0.4
215.10760	2.5
227.14474	1.4
229.15991	7.4
231.17435	0.3
239.10829	0.8
240.11456	0.5
243.17549	0.6
245.15443	1.3
245.63899	0.3
247.17033	1.7
255.11296	0.6
255.13945	10.7
257.15506	1.3
273.14987	100.0
275.16574	0.5
278.13312	0.4
285.03790	0.4
285.18616	0.7
287.16528	1.9
291.16000	0.5
305.17438	0.5
311.16571	2.9
329.17621	3.0
347.18655	61.2
407.20773	40.8
408.21240	0.4
454.46774	0.4
487.23581	2.0
505.24506	6.4
565.26660	1.2
638.28302	0.4
661.97144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
78.97890	0.2
81.03483	0.2
82.00626	0.3
83.01400	0.8
85.02967	1.2
87.00893	0.3
92.95979	0.2
92.99804	0.2
93.03484	0.6
95.01395	2.9
96.99328	0.4
97.02959	0.6
98.22609	0.6
99.00890	2.7
101.02480	0.2
107.01385	0.4
108.02219	0.3
109.02954	0.8
110.00121	3.5
111.00893	11.8
113.02441	2.1
115.00356	0.2
117.01949	0.2
117.03539	0.3
119.05041	6.8
121.02974	0.3
123.00900	3.4
124.01682	0.5
124.98816	0.3
125.02465	1.2
129.01996	0.2
133.02980	0.5
134.03752	0.8
134.95871	0.2
135.00951	0.2
135.04538	2.5
136.98822	2.8
137.02455	0.8
137.99608	0.8
139.00389	16.6
140.01144	0.2
141.01959	16.3
143.05034	1.0
145.02998	0.6
147.00914	0.2
148.74519	0.2
149.02422	0.6
151.00383	2.1
152.01195	0.5
153.01950	7.7
157.01427	0.2
157.06581	0.3
159.04527	0.8
159.87520	0.2
161.02437	0.6
163.00403	0.4
164.01280	0.2
164.98279	2.0
165.01933	0.7
165.99075	2.7
166.99873	11.2
171.04576	0.3
173.02420	0.3
173.06146	0.4
174.03238	0.2
175.02502	0.7
177.01877	1.1
178.99879	1.0
180.00673	0.5
181.01453	3.0
183.04544	0.5
184.05110	0.3
185.06107	0.6
187.04002	1.4
189.05597	0.9
190.99866	0.3
192.00595	1.1
193.01436	1.5
193.03587	0.2
195.04507	0.3
197.06131	0.2
199.04062	0.3
200.04710	0.3
201.02051	0.5
201.05605	1.2
203.03523	0.3
211.04016	1.4
213.01814	0.2
213.05600	0.4
214.02753	0.3
215.03528	1.3
225.05443	0.3
227.03549	0.6
229.05023	1.0
233.04585	0.2
239.03500	2.5
241.01472	0.6
241.04904	0.5
243.02934	0.3
245.04475	0.3
255.02988	1.5
256.03851	0.2
257.04575	0.7
258.01791	0.4
259.02689	0.3
259.06100	1.3
267.03073	0.3
267.30453	0.2
269.04572	1.4
273.04013	0.5
283.02524	1.5
285.04041	3.9
286.04620	2.8
287.05640	21.5
299.01956	0.3
300.02768	4.5
301.03561	91.5
302.03873	0.7
317.05145	3.6
347.18640	0.7
461.07275	1.0
462.07550	0.7
463.08859	100.0
464.09180	0.9
509.23685	0.3
561.90125	0.2
581.51099	0.2
671.29297	0.7
850.62341	0.2
1052.70959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02954	0.6
93.03469	27.6
98.22620	0.5
101.03987	0.2
117.03506	1.5
119.05058	0.7
121.02946	0.4
129.06329	0.2
137.02461	37.2
145.02960	3.3
161.02460	1.4
163.04012	2.3
169.06601	0.3
173.02452	10.5
175.02522	0.3
185.02475	0.2
189.01947	5.5
193.22102	0.2
203.03581	0.6
207.08180	0.3
214.02748	0.3
217.01442	2.9
219.08282	0.3
233.06210	0.2
235.07756	0.6
247.07716	0.6
261.05542	0.5
262.06360	0.4
263.07098	1.8
267.02963	0.5
267.06812	0.3
269.04578	5.1
270.04932	0.3
276.04398	0.2
277.05109	0.6
281.08234	0.5
285.40234	0.3
289.05090	0.5
290.05820	1.6
291.06665	9.8
297.04068	0.9
301.05194	0.4
307.06143	0.3
318.05136	0.3
319.06134	100.0
320.06528	1.3
322.04681	0.6
327.08844	0.9
337.07263	0.9
349.07022	0.5
355.12222	0.3
367.08228	0.5
373.12888	0.7
407.04520	0.6
439.10385	60.8
440.10660	0.9
445.07910	0.3
457.11456	0.3
535.18097	1.4
559.14569	7.3
560.15216	0.3
577.15674	2.6
697.17657	27.1
698.17828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	0.2
85.02962	1.2
87.00904	0.3
87.33363	0.1
92.99812	0.2
93.03460	0.5
95.01398	1.7
98.21851	0.5
99.00877	0.9
107.01388	0.5
110.00098	0.8
111.00885	7.5
113.02436	1.3
115.00389	0.2
117.03486	0.5
119.05036	3.8
121.02983	0.2
123.00901	1.8
124.98877	0.2
125.02457	1.3
131.05042	0.1
133.02934	0.5
135.00909	0.2
136.98811	1.3
137.02441	0.9
137.99538	0.2
139.00385	9.8
143.05029	0.6
151.00383	3.4
155.04958	0.1
157.06537	0.2
161.02388	0.9
163.00288	0.2
163.64273	0.2
164.98293	1.4
165.01935	0.9
165.99052	0.5
166.99870	3.0
167.05038	0.6
169.01492	0.2
169.06625	0.8
171.04518	0.8
173.06053	0.6
175.02452	0.6
178.99893	0.7
179.04988	0.6
183.04472	0.2
185.06076	0.8
187.04102	0.1
189.05571	0.3
190.99863	0.4
192.00615	0.6
194.50511	0.1
194.99348	0.7
195.04559	0.9
195.99748	0.2
197.06085	0.6
198.03188	0.2
199.04010	0.7
211.04045	0.4
213.05585	1.0
215.03758	0.2
217.05061	0.6
223.04019	2.7
225.01927	1.0
229.56720	0.2
239.03462	1.3
241.05116	0.6
242.02238	0.7
243.02957	0.4
243.06680	0.2
257.04645	0.6
267.02905	0.8
271.06110	0.4
283.02490	0.6
284.03137	1.0
285.04056	100.0
286.04419	0.8
299.05612	0.8
345.17114	0.2
433.11353	0.7
461.07288	43.6
462.07596	0.5
502.08331	0.1
503.95782	0.2
525.23376	0.9
687.28589	0.5
1131.79224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
82.00594	2.8
83.01382	1.2
84.02139	0.4
85.02956	24.0
87.00885	3.4
89.02447	1.1
93.03471	2.5
94.00607	0.2
95.01392	11.0
96.99320	0.5
99.00888	9.1
100.46249	0.2
101.02438	0.5
103.00386	4.8
110.00105	21.9
111.00901	2.3
113.02459	68.2
115.00378	1.8
117.01958	2.5
117.03424	0.3
119.05038	12.1
122.00117	0.6
123.00909	1.8
124.01668	3.8
124.98822	0.5
125.99591	0.9
128.31067	0.2
129.01945	1.9
136.98816	2.3
137.02457	2.1
137.99600	8.7
139.00388	5.9
140.01167	0.4
141.99100	0.3
145.02966	0.8
149.02299	0.2
151.00471	0.3
152.01169	4.2
153.01897	0.3
153.99103	0.2
155.03561	0.8
157.01433	1.2
164.98247	0.4
165.99084	33.1
166.99872	14.1
175.02489	63.3
178.99886	1.5
179.99005	0.3
180.00641	7.8
181.01437	13.2
185.06122	0.7
187.04034	0.3
192.00655	1.9
193.01465	0.9
207.02989	1.3
229.05038	1.7
230.05873	2.2
239.03656	0.3
242.05902	0.4
257.04660	0.4
257.08191	0.7
258.05316	1.5
268.03775	0.8
269.04352	0.3
283.02499	0.4
284.03412	0.4
285.03961	0.5
285.80609	0.3
286.04840	66.8
299.05682	0.5
300.02490	0.3
301.07178	100.0
302.07513	0.5
317.17502	0.5
322.80969	0.3
329.17627	0.4
347.14764	0.5
347.18640	6.2
389.19763	0.5
463.08743	0.7
477.10416	75.3
478.10754	0.8
509.23987	3.3
576.04395	0.3
671.29333	6.6
768.02960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
108.62940	79.5
151.02852	79.3
151.64507	83.0
318.10718	100.0
554.91870	96.9
602.19263	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
89.76293	10.6
96.96038	21.7
99.81007	10.6
135.24445	11.8
183.01224	13.0
197.02766	24.9
311.16876	100.0
372.64258	11.8
592.21307	39.3
985.82635	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	115.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35056	3.8
71.01375	13.8
71.05016	10.9
71.20538	4.7
73.04070	14.2
73.13707	3.3
81.55038	3.7
89.01463	20.9
97.93151	49.0
99.04517	22.4
99.92582	14.9
109.11833	3.6
114.92664	7.3
114.93427	100.0
115.04041	11.3
115.07582	4.2
115.92091	27.0
116.02570	36.3
128.48494	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	1151.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
88.01806	9.1
108.25070	10.9
115.13657	14.1
203.94664	12.2
210.44884	9.2
221.35239	9.5
330.88568	10.6
368.77380	11.5
491.29346	10.3
593.20673	100.0
663.67224	10.8
1036.34277	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	1153.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
82.00611	1.2
83.01353	0.1
84.02155	0.2
85.02954	6.1
87.00881	0.9
88.42412	0.1
89.02448	0.3
89.62705	0.1
95.01398	2.8
96.99270	0.1
98.50004	0.1
99.00890	2.2
103.00376	1.3
107.40951	0.1
110.00101	14.0
111.00947	0.2
113.02457	16.7
114.02818	0.2
115.00337	0.3
117.01894	0.7
117.03498	0.1
120.02094	0.1
122.00090	0.2
124.98833	0.2
126.07390	0.1
129.01935	0.4
136.98811	0.2
137.02451	0.3
137.99597	6.3
138.50156	0.1
146.03665	0.3
157.01474	0.4
161.02397	0.3
162.36118	0.1
163.00369	0.6
164.01112	0.8
165.99081	13.9
175.02489	13.3
181.46629	0.1
183.04547	0.3
185.02454	0.3
187.03987	1.0
188.04846	0.3
190.99866	0.5
199.04134	0.2
200.04831	1.2
211.04094	0.7
212.02798	0.2
212.04802	2.6
214.02730	1.9
227.03491	1.3
228.04308	0.5
239.03499	0.9
240.04134	0.5
255.02945	0.3
256.03799	0.5
266.02133	0.3
267.03040	1.5
268.03314	0.2
282.05386	0.4
283.02377	0.4
283.05450	0.3
284.03268	73.9
285.03711	0.6
297.07654	0.6
298.08020	0.4
299.05609	100.0
300.05972	0.9
473.11295	0.3
474.11032	0.2
475.08820	24.3
476.09619	0.3
908.80975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1156.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
94.56596	6.5
119.05029	22.3
121.02979	9.6
122.02505	11.0
131.57306	5.3
134.66707	7.4
154.45267	6.0
186.69176	6.9
283.02725	6.1
285.03967	8.2
296.29099	6.6
730.90472	7.5
1035.48035	13.6
1155.54126	28.4
1156.54211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1158.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
112.47306	8.7
119.04933	9.8
122.02495	100.0
135.80260	8.4
163.98085	8.8
197.72803	9.4
311.87268	9.1
385.02328	9.2
385.64236	8.8
539.65015	10.0
557.22760	15.5
638.82214	9.3
653.82220	9.3
654.57288	10.9
738.27032	13.4
1010.31903	11.1
1027.31555	11.6
1045.59070	11.7
1090.55066	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	1159.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02953	2.3
89.58706	0.4
90.91692	0.3
93.03420	0.4
95.01392	0.9
113.02473	2.9
134.03706	0.4
141.07047	0.3
143.05038	0.5
145.02930	0.7
155.05057	0.6
157.06648	0.6
158.03658	0.3
159.04512	0.8
161.02486	0.7
164.98297	0.7
167.03683	0.3
167.05017	0.4
169.02965	1.0
170.03703	0.4
171.04523	1.4
172.05251	0.4
173.02454	0.4
173.06091	3.6
174.03247	0.4
182.03777	0.7
183.04492	3.0
185.02473	0.7
185.06097	2.9
186.03255	1.7
187.03955	0.5
195.04527	0.7
196.05330	0.5
197.02390	0.6
198.03198	2.1
199.04021	1.7
201.05605	3.8
211.04021	9.9
212.04816	1.5
213.01979	1.8
213.05568	4.5
214.02798	3.2
226.02710	1.3
227.03481	3.9
228.04326	2.1
229.01553	0.4
229.05052	4.7
230.02180	0.3
239.03500	6.9
240.04256	2.1
242.02223	11.9
243.02896	0.6
243.06572	0.7
253.01405	2.1
253.05151	0.5
255.03027	3.2
256.03775	3.1
257.04572	88.6
258.04919	0.9
263.03442	1.4
267.02951	0.4
268.03729	0.6
269.04504	1.9
270.07776	0.4
271.06119	0.6
279.02979	0.8
280.03775	0.9
281.04468	0.5
283.02509	2.7
283.07544	0.8
285.09125	0.6
287.07190	1.0
296.03290	0.5
298.05026	0.6
310.06247	0.3
311.07095	1.4
312.08090	0.8
313.08029	0.9
315.06616	1.3
324.02838	0.4
327.06668	0.6
328.07141	0.4
329.08105	0.9
331.09598	0.4
339.06613	1.9
340.07541	0.6
341.08121	0.8
343.06192	1.6
355.06192	0.6
356.06934	0.6
357.07681	1.8
359.05417	0.4
368.06949	1.9
371.05667	0.5
374.04245	0.6
375.08804	0.6
376.05750	0.5
377.06509	0.6
383.05725	0.4
384.06494	1.0
385.07199	40.5
386.07687	0.7
387.05045	5.0
393.02631	0.7
403.08249	18.8
405.09778	0.3
411.05048	0.8
419.07132	0.4
421.09470	1.0
429.06207	1.8
447.07300	0.6
475.12341	0.4
481.28690	0.3
519.08923	0.7
573.10236	0.5
652.36560	0.3
685.40979	0.3
729.20422	11.8
771.22321	0.9
889.22162	0.7
984.02399	0.4
1159.27356	100.0
1160.26526	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	116.0508
Annotation	Indole
Peak:m/z	Relative Intensity
50.37342	0.6
59.01387	1.3
70.28914	1.8
71.05027	2.7
73.02952	26.3
74.02450	0.8
81.44777	0.8
89.01475	2.1
99.00925	1.5
99.92594	37.9
111.49442	0.7
116.02591	5.8
116.05075	100.0
116.07178	5.1
116.92871	92.2
117.01979	3.5
117.04656	1.3
117.05419	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	116.072
Annotation	L-Valine
Peak:m/z	Relative Intensity
55.01881	0.9
59.01381	2.4
65.01455	0.7
69.78233	0.7
69.78581	2.2
73.02953	100.0
73.91943	0.7
76.56821	0.6
89.01459	1.3
98.02486	1.2
99.00892	7.3
99.92599	18.7
115.92090	10.4
116.02563	4.7
116.03316	0.8
116.07188	84.4
116.92157	1.3
116.92871	32.6
117.01955	12.4
117.06834	0.6
117.07549	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	1161.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
98.21873	0.3
107.01448	0.1
113.83125	0.1
117.02676	0.2
117.03452	4.2
117.04263	0.2
120.99223	0.1
121.52687	0.1
123.00888	0.2
133.02983	0.2
135.00858	0.2
137.02469	0.3
151.00386	0.7
153.01926	0.7
154.04245	3.0
157.02876	0.1
161.02455	0.5
165.01906	0.5
165.03264	0.2
167.05093	0.1
168.04318	0.1
169.03008	0.2
169.06622	0.1
178.99866	2.8
181.06607	0.2
182.03699	0.3
183.04346	0.1
185.02354	0.8
193.01447	0.1
195.04533	0.1
197.06085	0.2
198.03238	1.7
207.04524	0.3
209.02370	0.2
209.06128	0.1
210.03204	0.4
223.04002	0.4
225.05620	0.3
226.02716	10.8
235.03973	0.9
237.01788	0.2
238.02736	1.3
241.05081	0.3
251.03444	0.2
253.01534	0.1
253.05037	0.3
254.02211	4.4
258.01660	1.2
265.01450	0.4
266.02304	0.9
267.03018	0.2
268.03815	0.3
269.04556	12.8
270.04980	0.2
280.03799	0.2
281.04614	0.2
282.01822	0.2
283.06131	0.4
295.02829	0.2
295.06036	0.3
297.04041	100.0
298.04425	0.9
311.05652	0.4
312.06403	16.4
327.08734	83.7
328.08948	0.9
407.04416	74.0
408.04434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
82.75229	0.1
83.88600	0.1
91.01913	0.2
98.21779	0.2
107.01423	0.2
110.00103	0.3
110.08243	0.1
111.00906	0.7
113.02454	0.2
117.03445	4.1
123.00899	0.2
125.02431	0.3
133.03023	0.3
135.00894	0.2
136.98802	0.5
137.02475	0.3
139.00356	0.7
151.00381	0.7
153.01990	0.7
154.04253	3.0
157.02965	0.1
161.02486	0.8
164.98300	0.4
165.01921	0.5
165.99057	0.3
166.99855	0.3
169.06535	0.2
176.98297	0.2
177.01878	0.3
178.99861	2.9
181.06534	0.2
182.03752	0.3
183.04480	0.2
185.02295	0.8
190.03857	0.1
197.06081	0.2
198.03250	1.7
207.04501	0.5
210.03282	0.5
211.03987	0.2
212.04691	0.2
214.02727	0.2
223.03973	0.4
226.02719	11.0
227.03337	0.2
235.04002	0.8
237.01802	0.2
238.02696	1.1
239.03499	0.5
241.05042	0.5
251.03485	0.2
253.05128	0.4
254.02229	5.0
255.02827	0.4
258.01709	1.5
265.01407	0.6
265.05066	0.1
266.02249	1.0
267.02914	0.5
268.03751	0.4
269.04572	15.1
279.03000	0.3
280.03864	0.3
282.01886	0.2
283.02493	0.8
283.05923	0.2
284.03320	1.1
288.39719	0.2
295.02466	0.2
295.06012	0.3
296.03378	0.2
297.04050	100.0
298.04413	1.3
299.05667	0.9
301.03577	5.4
311.05630	0.4
312.02563	0.2
312.06415	15.6
327.08740	85.0
328.09109	0.8
349.07278	0.1
368.42578	0.2
407.04431	84.4
408.04651	0.8
428.85846	0.1
503.11923	1.8
613.11938	2.4
632.64172	0.1
637.21924	0.2
659.05286	0.1
943.67963	0.1
1064.54590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1165.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96519	0.2
82.00589	0.8
84.20753	0.1
91.04545	0.2
99.00838	0.2
108.02199	0.2
110.00108	9.2
111.00893	2.8
114.69824	0.2
123.00904	0.4
124.01670	0.4
125.02449	0.7
128.45654	0.2
132.02162	0.4
134.03755	2.3
135.04533	3.4
136.98865	0.5
137.99603	4.2
139.00389	5.2
141.01903	0.2
148.01657	0.2
149.02470	0.2
151.00363	0.6
153.01962	3.3
158.03658	0.2
160.01691	0.3
161.02496	0.3
164.01193	0.4
164.98270	0.6
165.01907	0.3
165.99091	12.9
170.03760	0.3
178.99873	1.0
181.01445	1.6
183.04489	0.3
184.05339	0.2
186.03235	0.3
187.04002	0.3
190.99908	0.2
192.00688	0.6
199.04083	0.3
200.01146	0.2
200.04779	0.5
201.01906	0.8
210.03271	0.4
211.04039	0.8
212.04784	0.4
213.01964	0.6
214.02676	0.6
216.04230	0.4
227.03569	0.9
228.04320	0.8
230.02217	0.5
238.02710	0.5
239.03578	0.7
243.02921	0.4
244.03825	0.3
254.02121	0.2
255.02914	0.8
256.03772	1.4
257.00894	0.4
258.01700	0.3
269.04459	0.4
271.02463	0.4
271.06116	0.6
272.03348	0.5
282.01733	0.5
283.02646	0.9
285.04068	0.4
297.04007	0.3
298.01230	1.4
299.01895	0.5
300.02780	54.9
301.03177	0.5
313.03571	2.6
314.03690	0.2
315.05136	85.0
316.05463	0.6
320.87469	0.2
392.99326	0.5
395.00803	100.0
396.01001	0.7
397.00925	0.2
402.86725	0.2
502.86032	0.2
881.47455	0.3
1084.67346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
54.32067	0.3
55.01872	0.9
70.36220	0.7
72.44987	0.3
73.02954	100.0
74.02476	0.4
74.03282	3.0
82.09789	0.3
99.00891	8.1
116.92886	0.5
117.01957	12.2
118.02271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76773	0.3
55.01892	0.7
61.98828	0.7
69.75269	1.1
69.75629	0.4
71.95926	0.4
73.02953	100.0
74.03291	3.1
75.90739	0.3
98.22552	0.7
99.00281	0.5
99.00894	7.7
99.92587	3.6
100.01200	0.7
108.73045	0.5
109.14099	0.3
116.92870	7.9
117.01947	11.5
117.92905	0.5
118.02988	0.4
125.91742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24427	0.4
57.09081	0.4
59.01387	30.4
60.01721	0.7
60.05782	0.4
68.76993	0.4
69.89996	1.1
69.90311	0.4
70.22263	0.4
70.52512	0.4
71.01381	0.7
71.05040	2.8
72.00909	0.7
73.02955	44.0
74.02475	1.4
74.03300	1.4
87.04536	0.6
90.03543	0.6
99.00893	3.2
99.04549	0.7
99.92597	42.3
100.01387	0.4
100.92618	3.9
116.05088	0.5
116.69941	0.5
116.92876	100.0
117.01964	4.7
117.04742	0.6
117.05595	3.9
117.41506	0.4
117.92879	8.5
118.03011	6.1
118.04091	1.2
118.06681	0.9
122.99500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.2
85.02956	0.2
91.01906	7.2
94.52437	0.1
95.01434	0.2
101.03989	0.4
108.02186	5.8
111.00906	0.7
117.03503	1.8
118.71505	0.1
119.05041	0.5
121.02943	0.2
123.00898	0.3
123.04539	14.3
124.01674	0.6
129.03455	0.2
133.02969	0.4
136.98805	0.2
139.00391	0.3
145.02975	3.7
152.01172	6.1
160.01662	0.2
161.02483	1.3
163.04016	2.3
163.05367	0.2
167.03513	30.6
168.03796	0.2
171.04553	0.2
173.02451	10.4
175.02406	0.2
176.01070	0.2
185.02440	0.2
189.01959	5.4
191.08707	0.2
199.00374	0.2
203.03510	0.5
207.08226	0.1
214.02686	0.4
217.01437	2.4
219.08189	0.5
233.06152	0.3
235.07698	0.9
239.03503	0.2
245.05995	0.3
246.06920	0.4
247.07622	0.9
248.04608	0.2
261.05634	0.4
262.06369	0.4
263.07172	1.5
265.59708	0.1
267.03024	0.5
267.06717	0.6
268.03271	0.3
269.04544	1.9
270.04852	0.1
273.05795	0.2
275.07156	0.2
277.05124	0.6
281.08243	0.3
289.05093	0.2
290.05869	1.9
291.06665	8.5
295.06201	0.4
301.05188	0.7
307.06213	0.3
314.07712	0.2
317.04611	0.2
318.05191	0.4
319.06137	100.0
320.06458	1.5
321.06870	0.2
321.27652	0.1
322.04791	0.4
337.07166	0.4
349.07144	0.3
361.06949	0.2
367.08075	0.2
379.08215	0.3
439.10373	63.8
440.10660	1.1
441.10983	0.2
559.14600	6.6
560.15619	0.2
577.15826	0.5
598.30054	0.1
727.18878	28.9
728.19037	0.8
729.19263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
87.01331	7.9
88.72359	7.1
142.34300	7.7
171.45528	8.0
179.20412	7.1
191.18919	6.6
204.16331	6.9
322.65134	7.5
608.22614	100.0
937.31677	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	1185.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	1.2
85.02955	5.7
87.00880	1.3
89.02464	1.1
95.01394	1.4
97.02931	0.3
99.00893	2.1
101.02437	2.2
103.00409	0.2
107.01395	0.8
108.02190	0.3
113.02458	8.0
115.05539	0.3
117.03381	0.2
119.05077	0.3
123.04536	2.3
125.02418	1.1
131.03506	1.1
131.05029	0.5
132.40715	0.2
134.03751	0.8
135.04538	14.5
143.03523	0.4
145.06612	1.0
147.04536	18.0
149.89578	0.2
151.00410	1.6
153.05588	3.4
158.78256	0.2
161.04565	0.7
161.06091	2.2
164.01183	0.4
169.06572	0.6
171.04515	1.1
172.05333	0.3
175.02518	1.1
177.05573	0.2
179.05650	0.5
181.87042	0.2
185.06087	0.5
187.07668	0.8
189.05615	0.5
206.46234	0.2
211.07628	0.8
213.02240	0.2
213.05618	1.5
215.07130	0.8
221.06676	0.9
243.06712	1.4
255.06647	16.5
269.04535	0.9
270.05316	0.2
271.06381	0.3
291.08920	0.2
297.09845	1.9
302.44351	0.3
315.10880	1.1
398.13730	0.5
405.74857	0.2
423.91565	0.2
431.09766	2.8
443.15582	0.5
445.15338	0.5
461.16318	0.5
524.93744	0.3
591.20746	2.1
605.20343	0.5
753.26135	100.0
754.26251	1.5
795.20703	0.2
839.78680	0.2
1105.23865	0.3
1122.36633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.00346	1.3
59.01381	3.0
61.98836	1.2
64.57527	1.1
65.01440	1.5
68.99858	1.1
69.46295	6.2
70.02969	1.3
72.99342	1.4
91.03042	1.5
93.03481	4.3
98.22667	2.0
101.92402	3.1
118.92655	8.8
118.93417	1.8
118.96583	5.2
119.02565	15.7
119.03340	3.2
119.05042	100.0
120.02064	2.4
120.02859	1.3
120.04580	2.2
120.05391	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	119.0504
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
52.59886	0.3
59.01383	0.3
65.03975	0.6
69.43091	1.0
69.43465	0.7
69.68586	0.3
75.00878	0.4
81.62894	0.3
91.05534	1.8
93.03477	3.4
101.92426	0.6
108.19393	0.3
117.03483	5.9
118.03757	0.4
118.92686	1.6
118.96576	0.6
119.02654	2.4
119.05039	100.0
120.05379	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	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46100	0.6
59.01385	3.5
61.98815	0.6
65.01440	0.8
72.97257	0.8
74.38835	0.5
82.55573	0.5
90.77548	0.5
91.05540	1.2
93.03462	4.9
98.68309	0.5
101.92441	1.2
117.03487	1.0
118.92705	1.9
118.96542	2.0
119.02586	6.4
119.05042	100.0
120.02069	1.0
120.05363	6.4
130.64174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
61.98835	6.1
69.53304	0.9
69.83562	0.2
91.03005	0.4
91.05553	1.4
91.06053	0.3
93.03470	5.6
94.03824	0.2
98.22663	0.4
98.80466	0.2
101.92454	1.3
101.93035	0.4
104.02643	0.3
117.03481	0.8
118.91850	0.6
118.92641	3.2
118.93471	0.4
118.94211	0.6
118.96571	0.8
119.02639	3.3
119.05037	100.0
120.02083	0.4
120.05368	6.6
126.16462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
86.50820	0.1
92.99849	0.1
98.21786	0.2
99.00941	0.1
117.02679	0.2
117.03448	4.0
123.00838	0.2
133.02977	0.2
135.00899	0.1
136.98814	0.1
137.02444	0.2
151.00391	0.4
151.47635	0.1
153.01936	0.7
154.04253	3.2
161.02437	0.4
164.98367	0.1
165.01910	0.4
165.03362	0.2
167.05031	0.1
168.04301	0.1
169.02945	0.2
176.98347	0.2
178.99867	2.7
179.82657	0.1
181.06577	0.2
182.03726	0.4
185.02364	0.6
193.01416	0.1
194.03767	0.1
195.04492	0.1
197.06076	0.2
198.03244	1.6
207.04504	0.6
207.84680	0.1
209.02339	0.2
209.05826	0.1
210.03242	0.4
213.05588	0.1
223.03975	0.4
225.05608	0.3
226.02719	10.2
227.03265	0.1
235.04059	1.0
237.01993	0.1
238.02704	1.3
241.05125	0.2
251.03525	0.2
253.05087	0.3
254.02216	4.4
255.02504	0.1
258.01675	1.2
265.01425	0.5
265.05164	0.1
266.02219	0.9
267.03000	0.3
267.06653	0.2
268.03799	0.3
269.04562	12.8
279.03009	0.1
280.03870	0.2
281.04605	0.2
282.01764	0.2
283.06223	0.5
295.06119	0.4
296.03204	0.2
297.04047	100.0
298.04416	0.9
311.05600	0.5
312.06406	16.7
313.06580	0.1
327.08743	93.0
328.09070	1.0
392.01651	0.1
407.04428	97.0
408.04636	0.9
463.71088	0.1
486.12967	0.1
736.76416	0.1
830.03717	0.1
924.67639	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	1191.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
117.03458	4.1
123.00971	0.1
133.02972	0.2
137.02446	0.2
151.00385	0.4
153.01952	0.6
154.04250	2.9
161.02367	0.3
165.01906	0.6
165.03333	0.3
178.99869	2.6
181.06525	0.2
182.03804	0.3
185.02386	0.7
193.01411	0.2
197.06050	0.2
198.03281	1.5
207.04475	0.7
210.03232	0.4
223.03981	0.6
225.05646	0.4
226.02715	10.2
235.04007	1.1
237.01822	0.2
238.02704	1.3
239.03476	0.2
244.88718	0.2
251.03555	0.2
253.05109	0.4
254.02206	4.4
255.03204	0.2
258.01639	1.4
265.01392	0.5
265.04810	0.2
266.02267	1.0
267.02979	0.3
268.03641	0.2
269.04556	13.3
280.03659	0.2
281.04797	0.2
282.01721	0.2
283.06024	0.4
295.02805	0.2
295.06073	0.3
297.04050	100.0
298.04456	0.8
311.05545	0.4
312.06409	18.1
327.08743	88.6
328.09033	0.4
407.04428	87.4
408.04770	0.6
445.08057	0.2
494.56265	0.1
905.25592	0.1
945.29504	0.1
1130.83105	0.3
1191.28027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39955	1.1
61.98840	1.3
66.03496	11.7
78.03500	1.9
92.02695	2.4
93.03474	7.1
94.02991	49.5
95.10905	1.2
108.02174	3.0
120.02201	1.4
120.99681	13.8
121.00500	2.2
121.02972	100.0
122.02504	39.0
122.03339	4.8
122.50439	1.0
129.84274	1.2
134.21570	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
55.74366	0.2
65.03976	0.3
66.03490	2.0
69.40106	0.7
71.44703	0.2
78.03435	0.2
91.01917	1.0
92.02684	2.9
93.03472	3.5
94.02995	8.9
95.01405	0.6
98.22652	0.4
100.97452	0.2
108.02188	2.8
116.89890	0.2
120.02181	1.6
121.02969	100.0
122.02486	7.1
122.03319	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	122.0249
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
52.52722	1.1
55.16861	1.0
57.20438	1.0
61.98832	2.4
66.03491	22.8
68.99822	1.1
69.71362	4.1
78.03484	8.0
79.95744	2.8
91.96912	1.1
94.02993	100.0
94.98117	1.5
95.01390	26.9
95.03339	3.3
109.56795	1.2
122.02502	94.6
122.03305	12.2
122.97649	1.5
123.00901	13.0
123.02834	5.0
123.04575	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	122.0249
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
54.12875	1.3
66.03507	10.9
66.97214	1.4
70.74886	2.2
78.03499	47.9
79.03848	3.2
79.95753	1.7
88.11269	1.5
94.02995	55.9
95.01408	15.7
122.02502	100.0
122.03246	4.4
123.00890	9.3
123.02843	6.5
123.04514	2.4
128.87303	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	122.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39058	3.0
61.98837	53.5
66.03493	10.0
70.22319	4.5
70.22689	5.2
78.03503	93.7
79.03823	5.5
82.76867	2.4
94.03001	49.6
95.01402	11.8
95.03337	2.7
98.21996	3.2
102.86958	2.5
116.11587	3.0
117.66972	2.7
122.02499	100.0
123.00915	7.0
123.02860	4.8
124.86240	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	122.025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30955	2.3
65.45895	1.9
66.03502	2.8
69.83563	5.2
69.83916	3.4
78.03501	100.0
79.03835	3.2
93.28275	2.0
94.03007	4.2
122.02502	58.8
123.02848	4.8
134.28145	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	122.976
Annotation	Sulfoacetaldehyde
Peak:m/z	Relative Intensity
68.39709	2.0
70.66851	2.7
76.98743	2.6
79.79877	2.4
79.95746	100.0
94.03007	2.5
94.98102	42.1
95.01401	12.2
107.20696	2.2
122.97592	34.3
123.00902	9.5
123.02811	2.9
123.90215	6.8
143.99243	2.3
144.75417	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	125.0359
Annotation	1-Methyl-1H-imidazole-2-carboxylic acid
Peak:m/z	Relative Intensity
54.03479	1.9
61.80886	0.4
62.29302	0.4
62.96416	38.4
66.02229	0.5
67.03819	0.7
68.01411	5.4
69.03449	2.1
70.80742	0.5
72.73552	0.4
78.95910	27.6
81.03476	0.8
81.04568	0.7
82.02996	0.7
94.03025	0.4
94.99033	2.7
95.03336	0.6
96.99339	1.3
97.02977	1.7
109.97767	4.7
110.98585	0.8
111.95687	5.0
113.48551	0.4
125.00114	62.2
125.02556	5.7
125.03576	100.0
126.00452	0.7
126.01993	0.8
126.03929	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	127.0516
Annotation	gamma-Amino-gamma-cyanobutanoate
Peak:m/z	Relative Intensity
63.88609	2.3
67.03018	16.0
70.78699	3.2
71.02517	3.5
71.63862	2.3
82.02991	23.9
84.04559	15.7
87.06488	1.8
97.04076	3.0
99.05650	3.3
107.02489	3.4
109.04102	30.2
127.05151	100.0
128.03563	71.9
128.05518	3.8
136.16086	2.1
147.52675	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	127.0768
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
51.22464	3.7
51.86889	4.5
51.91105	3.7
59.01393	21.9
61.75889	4.2
69.16302	27.1
71.01384	9.0
83.01414	4.3
98.21909	10.8
99.00897	5.7
100.90250	4.8
109.06617	8.1
126.90490	51.5
127.00370	20.4
127.04023	5.5
127.07666	100.0
128.03563	49.7
145.35365	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	128.0356
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
52.27333	0.6
57.03436	1.4
58.02974	0.8
67.01887	3.3
68.99812	0.9
72.71584	0.6
72.82940	0.7
75.68330	0.7
82.03006	4.1
84.04551	1.2
84.22868	0.7
84.94323	1.1
85.02959	31.8
85.04076	1.9
101.02470	2.6
128.03564	100.0
129.01953	3.4
129.03912	6.4
135.16812	0.7
148.36221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79276	0.7
57.03455	1.1
57.18305	0.7
67.01928	0.8
68.99791	1.0
70.31213	0.8
70.80576	1.1
82.02989	3.6
84.04522	1.0
84.94308	1.8
85.04071	3.6
86.06126	1.5
100.55823	0.8
128.03549	100.0
128.07187	15.2
128.90186	3.0
129.04083	6.3
132.59468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57999	1.1
55.01865	1.8
57.03452	7.6
58.02964	2.3
63.96567	1.1
66.46404	1.2
66.98974	1.1
67.01901	20.8
68.99811	4.3
69.93588	1.4
70.14434	3.1
70.26202	1.2
71.01401	1.6
72.99303	2.6
73.02962	2.4
83.04890	5.9
84.94315	25.2
85.02981	13.4
85.04081	74.2
86.04420	3.2
88.04053	8.7
93.93392	1.4
129.01985	5.6
129.04207	100.0
130.04544	2.4
130.08739	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	129.0196
Annotation	Mesaconate
Peak:m/z	Relative Intensity
55.01886	4.2
57.03455	15.6
58.02989	3.3
64.61288	1.9
67.01900	37.0
68.99812	5.3
70.55359	3.4
71.01388	4.4
72.99317	2.2
73.02959	2.8
78.95901	4.2
81.97533	2.1
83.01410	2.1
83.04920	3.9
83.47668	2.2
84.94325	100.0
85.02964	59.4
85.04076	55.8
85.94630	2.1
86.03300	2.3
86.04418	2.7
86.06156	3.9
88.04049	35.2
99.00916	2.1
101.02474	2.0
108.07651	2.2
112.04041	2.0
128.89377	2.0
128.90196	10.2
129.01993	11.6
129.04207	85.6
130.08742	10.8
135.50615	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41282	5.5
55.01867	9.7
56.11007	5.9
57.03455	17.1
67.01889	8.9
68.99821	10.9
71.01414	7.4
73.02933	20.1
83.01421	8.9
83.05029	11.5
85.02982	32.6
85.04078	76.9
85.06556	8.1
86.06085	10.5
88.04076	31.5
88.04532	5.9
99.00919	7.0
101.02438	10.1
111.00910	14.8
112.04048	7.2
114.33640	5.8
128.90176	33.5
129.01964	19.6
129.04207	100.0
129.05583	23.7
129.09232	7.5
130.05078	7.9
130.08759	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77177	1.1
69.58907	3.3
69.59288	2.1
76.60498	0.8
88.04058	1.4
90.39043	1.0
98.21838	1.7
130.08752	100.0
131.08275	4.2
131.09143	6.6
133.92287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.0
57.03457	2.9
58.02974	1.7
58.24495	0.6
59.01383	12.3
67.01859	0.8
68.47383	0.5
69.93428	0.8
69.93720	1.1
70.02987	9.1
71.01391	26.5
71.02512	1.9
72.00916	12.2
72.99284	0.7
73.02954	53.8
74.03301	1.5
75.00887	0.7
83.01383	2.8
84.02190	0.6
85.02958	20.5
86.03281	0.9
87.00905	0.6
87.04518	0.7
88.01006	0.6
88.04052	100.0
89.03578	12.2
95.01396	2.4
95.02496	3.4
96.00904	1.1
98.22653	0.6
101.02475	3.9
113.02451	6.8
113.03587	7.6
114.01987	15.0
114.99561	1.2
115.00389	24.1
115.02291	0.9
118.59160	0.6
131.03535	0.8
131.04636	1.6
131.08267	0.9
132.03044	20.4
141.12903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.5
57.03448	7.8
59.01380	22.2
70.03004	8.5
70.57027	8.5
71.01380	35.4
72.00904	14.0
73.02953	100.0
75.00865	6.5
83.01423	3.1
85.02966	32.3
87.04465	3.3
88.04046	83.8
89.03577	8.6
95.01371	3.9
101.02437	6.5
113.02459	14.6
113.03582	6.6
114.02015	14.5
115.00390	17.4
131.08270	54.9
132.03012	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13880	2.1
58.02986	11.3
59.01394	3.3
70.02986	64.0
70.19073	4.3
71.01387	23.1
71.02511	19.9
71.03314	2.3
72.00916	34.3
72.99293	3.1
73.02947	16.1
74.91734	1.8
85.02965	5.7
88.04048	90.8
89.03595	4.3
95.02521	24.8
96.00938	3.4
98.22592	2.6
103.80787	1.7
111.01994	3.3
113.03584	49.8
114.01981	100.0
115.00383	23.0
115.02304	3.4
123.37568	1.8
125.56959	1.7
130.88940	24.6
131.04639	10.9
131.08257	12.5
132.03036	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	131.0465
Annotation	L-asparatamine
Peak:m/z	Relative Intensity
58.02993	11.1
58.03241	2.5
59.01379	4.3
61.98845	2.5
70.02986	57.6
70.07531	4.3
71.01386	24.5
71.02498	14.4
71.03336	2.9
72.00916	30.8
73.02966	14.0
76.02026	1.7
85.02962	3.7
87.04538	2.2
88.04050	100.0
89.03572	2.9
95.02518	22.1
96.00928	3.1
110.53912	2.2
111.02020	2.8
113.02857	3.4
113.03592	51.0
114.01987	90.8
115.00397	22.2
115.02350	3.5
127.33648	1.9
130.88957	27.0
131.04665	10.3
131.08304	13.1
131.89012	2.2
132.03033	19.0
132.33231	2.6
147.70505	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	131.0504
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.27252	1.4
52.41047	1.5
57.03447	6.3
64.77266	1.5
67.99451	1.3
68.99826	2.8
69.03473	2.3
71.01396	1.7
71.41408	1.6
73.02945	5.3
73.31226	1.4
76.45524	1.4
85.02959	12.8
85.06612	5.8
87.00875	1.8
87.04523	18.4
87.30873	1.4
103.05545	5.5
113.02462	2.8
119.05009	2.3
130.04292	1.8
131.03499	5.0
131.05037	100.0
131.08229	3.2
132.05376	11.3
147.04561	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	131.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72489	0.6
57.03457	1.0
68.99814	0.5
69.03466	14.5
81.19048	0.5
85.02950	1.1
85.06598	100.0
86.06930	4.8
87.04543	1.6
113.06095	2.3
127.63386	0.5
129.05600	0.9
131.07158	34.0
132.07475	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	131.0716
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03453	0.8
69.03468	1.6
71.85924	0.7
73.02953	1.9
83.05025	1.8
83.16706	0.6
85.02950	2.2
85.06596	100.0
86.06927	4.1
87.04534	2.5
94.31464	0.6
98.21903	2.2
124.30462	0.7
125.15131	0.7
128.39317	0.5
129.05571	1.1
131.07152	34.5
132.07498	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	131.0716
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03460	3.1
57.62876	0.5
59.01393	0.7
68.99820	1.7
69.03461	11.7
70.03808	0.5
70.23410	0.6
70.23738	0.8
71.01389	1.1
73.02957	2.7
85.02952	3.9
85.06598	100.0
86.06934	5.3
87.04525	5.4
88.04041	0.6
93.52499	0.5
96.42204	0.6
98.22048	0.7
107.94033	0.6
108.03033	0.6
113.02431	1.3
113.06114	2.1
114.01976	0.7
129.05600	1.7
131.03542	2.2
131.07155	34.6
132.05682	1.3
132.07501	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	131.0828
Annotation	D-Ornithine
Peak:m/z	Relative Intensity
52.30054	1.5
55.06898	1.5
64.00390	1.5
70.60532	2.6
83.06145	3.1
85.07735	1.7
87.04530	2.1
89.87052	1.6
101.93398	1.4
113.07226	2.0
126.37432	1.7
131.08275	100.0
132.08636	4.0
134.75063	2.0
134.95389	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	132.0305
Annotation	Aspartate
Peak:m/z	Relative Intensity
59.01387	2.8
70.02985	1.0
70.99877	0.6
71.01390	36.0
72.00909	5.4
72.01720	0.6
72.81562	0.5
72.99316	3.9
74.03282	0.8
78.95916	0.5
88.04052	100.0
89.02444	0.9
89.03578	3.6
89.04364	3.2
96.96929	0.5
114.01990	3.4
115.00385	25.5
115.02250	0.8
116.00739	0.9
132.03043	20.6
132.04034	1.1
133.03371	0.9
149.94324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
60.17107	0.6
61.03533	0.6
69.26014	0.6
69.87215	0.5
69.92126	1.1
69.92445	0.8
71.01388	83.2
72.01715	2.4
72.99316	20.7
83.38966	0.6
87.00877	1.3
89.02461	7.8
98.21912	0.9
115.00386	100.0
116.00713	4.6
133.01443	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65231	0.3
59.01373	1.8
63.08614	0.3
70.24140	0.9
71.01388	88.1
72.01730	2.3
72.99316	20.7
87.00901	1.0
89.02446	7.9
89.41585	0.4
98.22001	0.5
99.69766	0.4
105.70251	0.4
107.60252	0.4
111.21820	0.4
115.00385	100.0
116.00709	4.2
133.01443	18.9
134.01788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
56.91927	0.9
57.50702	1.1
59.01388	2.6
69.14415	5.8
70.86194	1.1
71.01389	91.4
72.01726	2.9
72.99317	20.3
87.00919	0.9
89.02455	9.2
107.03642	1.4
115.00386	100.0
116.00751	4.1
131.08614	0.8
133.01445	17.8
134.04727	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	133.029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03109	6.6
68.77577	6.7
69.08551	49.6
71.01384	54.2
72.99316	9.8
89.02446	7.3
92.02538	9.6
98.22640	14.3
107.03648	36.0
115.00397	45.0
132.86848	18.9
132.90031	22.1
133.01433	10.4
133.02939	13.8
133.05058	10.7
134.04759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0509
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
57.03455	3.1
58.80284	0.6
59.01380	2.7
69.03450	1.1
70.25452	1.7
71.01390	100.0
72.01715	3.2
72.99315	15.4
75.00877	4.2
87.00886	18.2
87.04527	10.2
88.01239	0.7
89.02461	19.6
89.03019	0.9
92.02559	5.7
100.42543	0.6
107.03652	24.2
109.19542	0.7
115.00387	47.0
116.00725	2.2
125.70451	0.6
132.86806	0.9
133.01456	9.3
133.05086	38.8
134.04736	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73515	0.3
61.06515	0.3
65.01440	1.0
68.02528	0.8
69.43404	1.3
72.01722	0.3
72.99298	0.3
75.00875	1.6
80.02533	0.4
81.75122	0.3
92.02551	11.0
93.03486	0.4
107.03644	39.8
108.03313	0.4
108.03977	1.3
128.88834	0.3
134.04738	100.0
135.03004	0.4
135.04532	7.2
135.05188	1.5
148.56978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01434	0.7
68.02547	1.1
70.87199	0.5
75.85646	0.3
77.21700	0.3
80.02530	0.7
80.96507	0.3
92.02551	8.6
107.03649	37.3
108.03986	0.9
134.04741	100.0
134.86559	0.5
134.89485	0.3
135.04373	1.7
135.05101	3.2
138.84261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Adenine
Peak:m/z	Relative Intensity
54.95953	0.6
65.01438	1.3
69.43079	3.2
71.27847	0.7
74.19341	0.6
92.02553	9.7
93.03493	1.3
98.21886	1.3
99.92570	0.7
107.03645	38.8
107.05073	2.0
108.03996	1.4
134.02554	2.2
134.03799	5.9
134.04738	100.0
134.89497	6.7
135.04465	27.1
142.93019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52648	0.3
65.01455	1.3
68.02550	0.8
69.60633	1.5
74.55405	0.3
80.02535	0.6
92.02555	9.6
107.03650	38.9
108.03333	0.6
108.03988	1.7
112.87836	0.3
134.04744	100.0
134.86578	0.7
134.89491	0.9
135.04330	1.1
135.05077	3.7
136.07762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
55.42605	0.7
59.01381	12.6
59.94846	0.8
62.16402	0.8
71.01392	5.6
71.40712	0.8
72.99313	11.0
75.00878	100.0
76.01205	2.1
87.00890	1.1
89.02460	6.1
91.37309	0.8
103.64046	0.8
117.01953	1.8
135.03014	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	135.0455
Annotation	3'-Hydroxyacetophenone
Peak:m/z	Relative Intensity
60.52405	0.3
60.52760	0.3
70.65646	0.6
88.04208	0.4
91.05552	0.6
92.02690	10.8
92.05068	7.3
93.03471	39.8
94.03807	1.8
95.01413	2.6
99.92599	1.8
107.05041	1.0
108.02193	14.6
109.02523	0.5
117.03480	0.4
120.02177	5.4
134.03757	2.9
134.86577	1.3
134.89500	23.7
135.04541	100.0
135.89468	1.7
136.01685	3.6
136.04019	0.8
136.04895	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	136.0168
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
50.87276	1.0
53.06340	1.1
63.16663	1.1
65.00328	8.6
65.03938	1.2
69.50233	4.1
78.95926	1.5
81.03456	4.6
91.01936	1.2
92.02699	6.2
92.05067	4.0
92.19946	1.0
93.03470	46.9
94.03001	2.8
95.01398	4.5
95.02487	1.0
99.92610	1.8
108.02184	51.5
108.04562	2.4
109.03022	7.0
121.05309	1.0
135.04066	1.1
135.89484	15.8
136.01677	45.0
136.03999	3.2
136.04915	10.9
136.88290	0.9
136.89189	32.3
137.02469	100.0
139.77779	1.0
140.19901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52008	1.5
55.92450	1.5
57.18753	1.5
57.90961	1.4
58.53653	1.4
65.00342	8.0
69.28886	7.7
72.81107	1.7
81.03494	1.6
82.00614	2.0
92.02685	27.3
92.05072	9.3
93.02989	4.3
93.03475	12.3
94.03823	9.5
95.01397	9.6
96.01608	1.6
96.71418	1.4
108.02188	100.0
109.02508	4.5
109.03104	2.0
121.02560	2.0
123.00935	1.8
135.89529	3.9
136.01677	81.7
136.04869	24.1
136.89197	7.6
137.02481	27.7
137.05070	1.6
138.10062	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	136.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35717	1.1
56.09862	1.0
61.30125	1.2
65.00314	1.5
72.32232	1.1
79.50341	1.1
92.02692	21.5
93.03484	11.4
95.01402	8.6
108.02184	100.0
109.02498	5.2
111.20562	1.1
115.17296	1.4
133.45012	1.2
135.89487	3.8
136.01674	92.3
136.04939	2.5
136.89172	7.3
137.02499	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13962	0.4
65.03968	0.6
70.20377	0.5
70.20728	1.0
81.03442	1.1
81.03885	0.4
92.05068	100.0
92.40266	0.5
93.03465	11.4
93.05392	5.3
94.03002	0.7
97.71689	0.4
99.92548	0.6
108.02170	2.1
108.04568	1.1
109.02955	1.5
122.03738	0.4
135.04123	0.5
135.89497	2.7
136.01697	4.0
136.04041	8.6
136.04912	3.7
136.86259	0.6
136.89182	6.0
137.02457	27.5
137.06087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0406
Annotation	Anthranilate
Peak:m/z	Relative Intensity
56.38176	0.4
57.92798	0.3
59.01388	0.4
65.00324	2.3
65.03957	0.5
69.21174	1.9
74.99110	0.4
78.95919	0.5
81.03471	1.4
83.07402	0.3
91.01918	0.4
92.05070	100.0
93.03469	14.2
93.04802	0.7
93.05393	5.3
94.02982	1.3
95.01415	0.4
95.02499	0.4
99.92586	2.0
100.92602	0.8
108.02195	3.8
108.04600	0.9
109.02991	2.1
111.58354	0.3
119.01378	0.4
135.04115	0.8
135.89493	7.1
136.01695	5.4
136.04041	7.5
136.04906	2.6
136.86293	2.6
136.88101	0.4
136.89192	14.9
137.02463	33.8
141.99161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	100.0
66.00665	3.6
70.52367	0.4
78.13898	0.2
78.23701	0.2
79.56238	0.2
83.89715	0.2
93.03479	0.6
95.41357	0.2
98.11095	0.2
98.22053	0.3
108.02189	0.5
108.99317	0.6
109.02532	0.8
136.01630	0.2
136.98824	3.1
137.02420	1.3
138.02028	0.3
146.10287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07644	0.2
51.14332	0.3
57.48693	0.2
59.01378	0.9
60.88251	0.3
61.98819	0.3
62.96416	8.0
66.03471	0.4
67.01897	0.3
68.99833	0.3
70.62967	0.5
78.95913	14.9
79.95734	0.6
80.97476	100.0
81.03465	1.7
91.01883	0.6
93.03469	17.5
94.02999	1.5
94.03801	0.9
94.99209	0.4
95.02541	0.3
99.92594	2.2
108.02177	7.2
109.02997	3.3
110.02489	0.7
110.97142	0.3
119.01400	0.8
122.03754	0.4
123.03271	1.1
136.01683	5.2
136.86304	12.0
136.89189	21.3
137.02458	44.9
137.03709	9.6
137.89185	1.3
138.01976	5.6
138.02837	1.9
138.05595	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
79.95717	0.5
85.59473	0.5
92.02674	0.9
108.02184	78.6
109.02520	4.2
111.00880	1.2
126.23270	0.4
137.01984	0.4
138.01984	100.0
139.00494	0.4
139.02338	5.2
157.97966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0563
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
50.54068	2.7
53.14315	2.5
55.01868	3.4
59.43810	2.4
65.00316	3.8
67.01896	7.5
68.99828	4.7
82.03797	2.4
83.01382	3.6
93.03496	3.6
94.02973	8.3
94.03795	9.2
95.05027	4.4
101.73824	2.6
102.95932	5.9
108.02182	63.1
109.02477	5.5
110.02483	8.1
111.00880	11.7
120.04448	3.1
123.03283	100.0
124.01736	3.2
124.03642	6.1
136.00441	3.2
137.02046	4.2
137.89175	21.8
138.01968	81.0
138.02840	25.5
138.05615	94.1
138.88979	3.7
139.00436	5.9
139.01396	3.2
139.04065	3.2
139.05981	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	139.0402
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
59.01378	1.4
59.46334	1.0
66.13222	1.2
67.05538	7.0
77.25663	1.1
84.76511	1.0
93.03442	2.2
95.01400	2.2
95.05035	9.1
96.02175	6.0
104.59949	0.9
111.00889	2.4
111.04528	14.1
112.04845	1.6
113.06114	1.2
121.03030	1.3
124.01676	25.6
139.04025	100.0
140.04390	6.8
154.08147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0195
Annotation	cis,cis-4-Hydroxymuconic semialdehyde
Peak:m/z	Relative Intensity
55.01888	15.8
57.03455	16.2
59.01389	3.6
68.99819	2.4
69.03455	7.2
69.61052	5.6
69.61397	1.6
71.01378	13.9
73.02983	4.4
85.02967	12.5
95.01392	16.7
97.02953	21.3
98.22622	1.8
99.00887	47.5
113.02461	3.1
114.34907	1.4
123.00904	28.2
123.56268	1.7
124.01254	2.7
140.01173	5.6
141.01962	100.0
142.02306	6.4
147.78445	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	142.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	28.1
54.28651	1.9
59.01381	14.2
61.81089	1.9
68.99827	6.4
70.81089	2.2
71.01392	60.7
71.01794	3.6
72.99314	2.6
78.76505	1.9
80.99819	9.1
87.00887	12.0
96.99321	31.8
112.98830	41.4
112.99618	3.5
115.00375	5.3
117.41792	2.4
124.98826	63.4
125.99173	3.0
140.98311	9.7
142.99876	100.0
144.00240	4.7
158.99341	2.7
159.72290	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	29.8
58.63122	2.3
59.01368	11.0
59.96035	2.4
68.99825	4.1
69.84833	2.4
70.06950	6.8
71.01389	49.7
72.99321	2.4
80.99809	7.5
87.00890	11.5
96.99310	28.6
112.98832	39.9
115.00383	4.1
124.98817	69.0
124.99745	3.8
125.99162	2.9
140.98314	14.4
142.99873	100.0
144.00218	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	143.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
59.01375	3.6
61.98820	3.3
70.39162	1.5
71.01385	4.6
71.05038	6.4
73.02950	15.1
76.49957	1.1
83.05021	1.9
85.02953	4.2
85.06600	4.2
87.04523	12.5
89.01467	3.1
97.06606	3.5
99.04536	8.4
99.92574	3.2
100.01696	5.9
100.92595	1.9
101.06093	100.0
102.06428	4.4
113.06088	5.1
115.04032	2.1
115.07661	4.8
116.02530	4.7
128.86612	1.2
142.73711	1.1
142.92523	3.5
143.02518	6.0
143.03641	5.2
143.07164	24.0
144.02100	2.7
144.04581	22.0
144.07550	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
98.21843	0.5
103.22863	0.2
107.99406	0.2
116.05087	2.4
117.03477	0.4
121.60246	0.2
126.03507	1.8
142.02977	0.6
144.04564	100.0
145.04909	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
66.20148	0.2
69.29673	0.4
69.30082	1.1
81.03452	0.4
83.05022	1.4
98.21808	0.3
98.48697	0.3
101.06100	1.9
116.05082	2.7
117.03524	0.4
117.05386	0.4
126.03513	1.6
127.05161	0.5
142.02998	0.8
144.04570	100.0
144.96507	0.6
145.03154	0.3
145.04933	7.6
145.06102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	14.0
58.02976	5.0
59.01385	5.9
63.81983	0.9
67.02994	1.2
70.58629	2.2
71.01393	9.2
71.05032	8.3
72.00938	1.7
72.99311	1.4
73.02943	3.5
74.02486	8.7
80.99577	9.3
81.03469	3.5
82.02986	3.5
82.80820	0.9
82.97308	1.1
83.01384	1.5
83.05038	9.2
84.04549	12.9
85.02955	5.5
86.02489	2.0
87.00888	2.8
97.04086	1.1
99.04511	7.1
99.05661	2.5
99.08173	1.5
101.06104	8.2
101.07211	4.3
102.05622	25.5
109.02956	2.1
109.04088	13.1
115.00369	1.9
118.02987	1.7
124.04091	0.9
125.03590	2.5
127.04037	5.6
127.05150	20.9
128.03546	17.9
128.05502	1.7
144.87051	1.2
144.96495	100.0
145.04048	2.6
145.05055	10.5
145.06209	10.7
145.09854	2.9
146.02498	19.7
146.04588	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	145.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30812	1.8
58.02977	14.2
58.95139	1.8
62.03272	1.8
65.93224	2.1
67.03017	6.9
69.31258	10.4
69.31659	3.3
70.02996	3.2
72.00926	6.9
72.04581	2.4
74.02482	31.2
82.03013	13.3
84.04554	46.5
85.02927	2.2
85.04913	2.3
86.02482	7.7
86.98929	2.1
97.04096	2.8
98.02488	2.7
99.05648	7.7
101.07224	15.9
102.05623	100.0
107.02522	3.0
107.13123	2.2
109.04089	45.2
125.03595	15.5
127.05160	87.9
128.03558	75.0
128.05539	3.5
129.03835	2.0
137.38007	2.0
145.06206	48.9
145.07295	4.4
146.04601	8.2
161.60556	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	145.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39931	2.3
58.02982	16.4
67.03016	7.6
69.55424	11.6
71.01364	2.9
72.00900	6.8
74.02483	34.4
82.02982	8.4
84.04549	54.4
86.02477	10.5
98.22656	5.4
99.05649	6.4
101.07211	21.8
101.80915	2.4
102.05624	27.7
107.02515	2.5
108.99973	2.8
109.04079	52.7
118.30544	2.3
125.03588	10.9
127.05147	100.0
128.03548	56.7
128.05530	3.2
145.06210	43.8
146.04602	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	145.0661
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
56.68246	3.5
61.13528	3.7
66.68990	4.1
69.25455	21.7
76.00094	3.9
81.03410	3.9
115.05560	11.2
117.03471	69.1
118.03801	6.7
130.04237	23.8
143.05052	28.9
144.05374	5.3
145.02963	12.2
145.04044	6.7
145.06613	100.0
146.02486	23.4
146.06987	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	145.0872
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
65.34897	0.6
68.69378	0.6
71.41795	0.8
97.06606	3.0
99.08171	100.0
100.08498	5.6
117.03466	1.5
143.07172	1.4
145.03006	1.4
145.08720	27.6
146.02472	3.7
146.09065	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	146.0462
Annotation	Glutamate
Peak:m/z	Relative Intensity
55.36975	0.6
57.03455	5.4
59.01381	5.3
61.00434	14.1
61.98838	6.5
67.03030	1.6
70.25571	1.3
71.01397	4.1
71.05025	11.9
73.06582	1.5
74.02473	4.2
75.00864	0.9
75.02805	0.6
82.03012	0.8
83.01427	0.6
83.02518	3.7
83.04593	0.5
83.05021	3.9
84.04568	2.0
85.02957	12.7
85.04063	4.9
85.04873	1.3
87.00880	10.8
87.04498	0.8
89.02492	0.9
99.00887	1.1
99.04521	0.7
101.02464	2.3
101.06095	11.2
102.05619	100.0
103.04006	2.3
103.05951	4.4
110.04451	1.2
121.39870	0.6
128.03552	35.0
128.05478	2.1
129.01936	2.4
129.03946	2.8
129.05582	0.9
146.02548	6.0
146.04593	9.1
146.06522	1.2
147.01973	0.7
147.02963	2.5
147.06639	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	146.0461
Annotation	Glutamate
Peak:m/z	Relative Intensity
57.03455	26.0
58.02985	0.8
59.01385	9.6
61.00436	20.0
61.98836	79.7
67.03019	2.4
69.82917	2.2
70.02998	1.6
71.01376	2.8
71.05031	6.5
73.02962	1.2
73.06594	1.3
74.02483	10.8
75.00877	1.3
82.02998	1.2
83.02519	6.5
84.04555	5.3
85.02962	62.7
85.04893	1.8
86.02495	0.7
87.00887	72.5
89.02483	0.7
98.02494	2.5
98.22575	1.3
99.00945	1.5
101.02459	11.8
101.06094	7.9
102.05623	100.0
103.04025	13.9
103.05970	2.4
110.04420	2.1
113.98015	0.7
116.03556	1.5
128.02583	1.0
128.03558	33.6
128.05533	3.7
129.01965	35.2
129.03944	3.1
129.05563	0.8
146.02638	0.9
146.04628	12.5
146.06538	1.7
147.01842	1.2
147.03015	20.4
147.04953	0.9
147.05452	0.8
147.06674	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	147.0453
Annotation	trans-Cinnamic acid
Peak:m/z	Relative Intensity
69.96955	16.4
69.97327	17.8
76.73936	7.2
83.80813	9.1
103.05543	22.4
119.04998	11.1
145.52606	8.5
147.02003	10.9
147.04533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0454
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
51.71363	3.2
58.90971	3.0
61.98837	100.0
68.77861	3.0
69.59340	10.6
71.01398	3.7
73.07735	3.0
83.64230	2.8
92.16673	2.7
98.22586	6.7
103.05548	4.4
139.71202	2.9
141.66884	3.4
147.01978	7.0
147.04556	25.3
147.06642	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	147.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99935	0.8
55.02997	3.3
57.03454	2.7
59.01389	1.8
59.91723	0.8
61.00435	100.0
61.69260	0.8
61.98836	3.1
67.03020	10.0
71.05022	1.3
71.39580	1.2
83.02013	1.5
83.02517	28.6
84.02794	1.1
85.02971	3.5
85.04079	26.9
87.00893	3.4
101.06108	1.7
103.02635	2.9
107.03632	1.5
129.04189	2.3
144.47682	0.9
146.48012	0.9
147.02962	1.3
147.05350	6.1
147.06406	1.0
148.04210	1.1
148.06319	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	147.0665
Annotation	Tyvelose
Peak:m/z	Relative Intensity
57.03455	18.2
58.24663	1.8
59.01390	37.2
59.72858	1.8
61.00426	6.9
61.98840	22.6
67.05521	7.6
69.81548	6.6
71.01363	6.3
71.05028	62.7
73.02942	5.6
73.06581	9.2
75.00916	2.0
83.02560	2.0
83.05041	13.4
85.02957	18.6
87.00907	10.5
87.04508	8.7
94.53769	2.1
98.21880	2.5
99.04547	3.1
101.02420	2.6
101.06097	100.0
102.06416	6.3
103.04031	2.4
103.05915	2.5
107.03649	2.9
129.01958	5.1
129.05600	11.0
147.01994	9.2
147.02948	4.9
147.04521	3.0
147.05536	3.9
147.06651	51.0
148.04066	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	148.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15084	1.6
56.55669	1.6
61.53032	1.6
69.45107	7.3
91.05547	4.1
93.03470	5.0
103.05529	1.9
105.03491	3.8
119.05051	8.4
121.02972	39.5
140.48866	1.8
147.02068	1.7
147.04552	30.6
148.05328	100.0
149.05656	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	149.0458
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
55.01878	12.9
57.03454	2.4
59.01388	38.6
60.00452	1.4
61.98838	14.4
63.99264	10.9
69.03447	6.2
70.61366	2.1
71.01391	34.5
72.99327	7.7
73.02953	55.6
74.26144	1.8
75.00883	50.2
85.02952	5.1
87.00877	8.9
89.02454	100.0
101.02439	5.0
103.04034	5.5
131.03516	17.1
133.01573	7.2
149.02512	2.6
149.04572	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0423
Annotation	Guanine
Peak:m/z	Relative Intensity
65.99839	0.9
66.00977	8.4
71.01401	0.5
71.40272	0.4
76.33662	0.4
78.00998	2.3
80.02532	0.5
82.04100	1.2
90.00983	1.4
95.01441	0.4
105.02104	0.9
106.00484	0.7
107.03654	8.1
108.02055	20.5
109.02407	0.4
112.96555	0.4
122.03771	0.8
122.06138	1.1
123.04546	2.6
126.03113	11.3
132.03212	0.4
133.01582	100.0
134.02010	3.1
136.01636	2.2
146.75626	0.3
150.04237	31.4
150.05565	1.9
151.02637	14.8
151.04019	3.2
160.68810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.4
64.96516	0.4
65.57592	0.3
67.01894	12.3
67.33743	0.3
68.99809	0.8
69.03469	0.4
69.28465	0.6
69.28855	1.1
79.01894	1.2
81.03474	0.6
92.02683	3.3
95.01398	13.4
96.01734	0.4
97.02982	0.4
98.22621	0.7
107.01396	0.5
108.02190	5.9
109.03020	0.4
121.77364	0.3
122.03750	1.0
123.00898	30.5
123.04514	2.8
124.01216	1.6
136.01675	100.0
137.01999	5.1
151.00392	5.5
151.04015	9.8
152.04456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
54.27051	0.2
67.62124	0.2
71.40968	0.3
92.02691	2.7
95.01411	0.8
107.05048	0.3
108.02183	6.5
108.04570	0.3
111.63757	0.2
122.03752	1.1
123.04536	2.9
136.01678	100.0
137.02011	5.1
151.00554	0.6
151.04027	9.1
151.05251	0.5
151.07703	0.2
152.03380	0.4
152.04390	0.7
156.84067	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
54.73803	0.3
63.82992	0.3
69.11891	0.2
69.14327	0.2
69.51947	1.3
75.04944	0.3
75.65823	0.2
82.16856	0.3
92.02676	2.9
95.01407	0.8
103.04794	0.3
106.43211	0.3
106.83732	0.3
107.05032	0.3
108.02184	6.0
109.03008	0.3
122.03743	0.4
123.04532	1.3
136.01677	100.0
137.02013	4.9
151.04025	8.7
152.04417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49582	0.7
58.75750	0.7
61.77649	0.8
66.03484	2.1
67.01888	1.2
67.45695	0.7
67.53046	0.7
68.99841	0.9
69.03450	1.2
69.08694	5.2
76.06192	0.7
80.02668	4.4
81.03456	5.0
81.99219	0.9
82.03015	0.8
83.01392	3.6
89.02459	9.3
91.01900	1.1
95.01407	1.9
96.99342	0.7
97.02918	1.1
98.21914	1.8
102.48614	0.8
107.05054	2.1
108.02181	42.7
108.04565	1.8
109.02969	100.0
109.27388	0.8
110.00095	2.0
110.02500	1.4
110.22312	0.9
111.00905	1.7
122.03753	2.0
123.00903	2.5
123.04535	0.8
124.01672	17.4
124.04855	2.1
124.86243	0.8
125.02448	2.8
135.04503	4.3
136.01683	1.3
137.02016	16.0
137.99632	1.5
138.02200	0.8
146.16751	0.8
151.00366	0.8
152.01163	79.1
152.03522	5.0
152.04436	3.5
153.01962	18.1
153.05609	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	152.0117
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
51.49582	0.7
58.75750	0.7
61.77649	0.8
66.03484	2.1
67.01888	1.2
67.45695	0.7
67.53046	0.7
68.99841	0.9
69.03450	1.2
69.08694	5.2
76.06192	0.7
80.02668	4.4
81.03456	5.0
81.99219	0.9
82.03015	0.8
83.01392	3.6
89.02459	9.3
91.01900	1.1
95.01407	1.9
96.99342	0.7
97.02918	1.1
98.21914	1.8
102.48614	0.8
107.05054	2.1
108.02181	42.7
108.04565	1.8
109.02969	100.0
109.27388	0.8
110.00095	2.0
110.02500	1.4
110.22312	0.9
111.00905	1.7
122.03753	2.0
123.00903	2.5
123.04535	0.8
124.01672	17.4
124.04855	2.1
124.86243	0.8
125.02448	2.8
135.04503	4.3
136.01683	1.3
137.02016	16.0
137.99632	1.5
138.02200	0.8
146.16751	0.8
151.00366	0.8
152.01163	79.1
152.03522	5.0
152.04436	3.5
153.01962	18.1
153.05609	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	152.0355
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
61.40049	0.3
64.26165	0.2
65.00336	0.5
66.03510	0.2
66.76868	0.2
69.17999	1.5
78.95914	0.3
80.96476	0.3
86.89789	0.2
87.45909	0.2
106.04266	0.7
106.47185	0.3
108.04562	0.5
109.02960	1.9
110.00077	0.3
120.36987	0.3
121.02979	1.1
122.03753	42.7
123.04073	2.2
124.04873	0.5
125.02485	0.4
136.78331	0.2
137.02010	0.3
151.70406	0.3
152.03548	100.0
153.01903	0.8
153.03906	5.1
172.54385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
51.05355	0.3
54.60273	0.4
65.03971	17.7
66.04302	0.5
67.01900	8.0
67.54964	0.3
68.11858	0.4
68.99794	0.5
70.08442	1.1
70.96019	0.4
72.15167	0.4
78.62408	0.3
78.95911	0.7
81.03485	0.4
82.02977	0.9
83.01397	0.5
91.01909	5.7
92.02235	0.5
97.02944	0.4
98.21983	0.4
108.02169	1.0
109.02965	100.0
110.00137	0.9
110.03283	4.0
112.56696	0.4
123.00933	0.5
123.04560	0.5
125.02471	1.0
135.00905	27.8
135.04509	0.9
136.01250	1.3
138.02245	0.4
151.00278	0.6
153.01958	64.9
153.86868	0.7
154.02347	3.1
154.05127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.023
Annotation	Diethyl sulfate
Peak:m/z	Relative Intensity
52.51570	0.2
52.82990	0.2
63.52252	0.2
66.03477	0.3
68.99811	0.3
70.55974	0.2
70.56302	0.3
71.05031	0.2
78.95915	0.3
79.95745	1.4
82.02985	0.7
89.41953	0.2
93.04567	0.2
96.96021	100.0
97.95975	0.5
98.22562	0.3
107.09950	0.2
108.02202	1.0
109.02963	7.2
109.45825	0.2
110.00052	0.4
110.06031	0.2
110.92599	0.2
112.36617	0.2
112.52264	0.3
123.00860	0.3
123.04540	1.0
124.01662	0.3
124.04073	0.3
125.02465	0.6
125.06023	0.3
135.04524	0.7
136.04056	0.5
150.97705	0.2
151.00403	0.2
153.02278	24.5
153.86884	6.1
154.01440	0.3
154.02586	0.7
154.05070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0624
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01868	3.2
59.01361	1.2
61.16308	0.8
65.74800	0.9
66.03483	2.7
67.03020	10.0
71.01398	0.9
71.16479	0.8
71.41737	1.0
72.00921	11.9
74.02477	1.6
74.46922	0.9
78.95911	8.3
79.95763	2.3
80.03812	12.4
81.04590	15.1
82.02984	3.8
83.01404	3.8
83.03649	3.5
85.02970	1.5
88.97547	0.9
93.04594	97.5
94.04935	2.5
96.96046	1.9
96.96977	4.2
99.00911	1.3
108.05696	10.2
109.04110	5.2
110.02505	1.7
110.03250	1.1
110.06127	1.1
110.07266	22.4
111.00941	1.7
111.04534	1.9
111.92639	0.9
112.04055	1.4
112.92358	0.9
118.04140	4.1
124.01672	1.2
124.04056	2.0
127.47901	0.8
136.04144	1.6
136.05176	10.0
137.03589	50.6
138.03946	1.1
154.01474	3.9
154.06248	100.0
154.90619	2.6
154.91626	2.8
154.97554	2.1
154.99893	2.0
155.02721	2.7
155.06618	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	154.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08034	0.8
61.98829	1.1
65.00343	1.1
68.01379	1.0
69.31179	4.5
73.33539	0.8
81.03457	1.6
82.02996	5.8
83.01411	5.6
93.03484	0.9
95.05034	18.4
96.96027	4.1
110.03299	1.4
111.00900	2.8
113.06080	1.5
129.46358	0.8
133.40532	0.8
139.04027	100.0
140.04330	5.3
153.86885	34.3
154.01384	4.0
154.05138	1.6
154.06383	23.3
154.86922	1.7
154.99918	1.1
155.06754	1.3
167.95566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0667
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
57.03461	1.0
59.01388	18.9
62.96421	0.6
66.03508	0.9
68.01427	3.2
68.99803	0.9
69.03461	0.7
69.87321	1.3
70.02984	18.7
71.01396	0.8
78.95916	1.1
79.95763	1.1
82.02959	0.6
83.05027	1.1
84.04568	0.6
84.99319	0.9
85.02982	0.7
85.99973	2.4
93.03440	1.5
94.02991	1.6
96.97003	0.9
98.21931	1.1
99.00879	0.8
112.04086	1.1
112.07703	8.3
113.06108	1.6
113.07978	0.5
114.05619	100.0
115.05958	4.4
120.97735	0.6
126.51707	0.5
127.00388	2.2
127.07627	0.6
138.05641	3.3
139.07692	0.9
155.86584	8.7
156.03084	0.9
156.06697	6.9
156.07831	0.9
156.89496	1.1
156.99655	5.6
157.05064	1.2
157.08766	3.2
157.12350	5.3
157.13510	1.1
169.08527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70536	0.9
55.44067	0.8
57.03437	1.8
59.01384	100.0
65.15909	0.9
67.01918	1.0
67.02997	3.6
69.03441	1.0
71.39619	1.0
72.00919	1.0
72.99281	1.0
75.00882	1.7
78.95904	3.4
79.95738	6.7
80.33466	0.9
84.03030	0.9
84.04546	1.1
85.02963	1.0
85.04092	1.3
85.99972	23.1
97.02972	1.8
99.00873	2.4
111.05566	0.8
112.04025	1.5
112.08842	4.6
113.09723	1.3
114.01928	0.9
114.05615	52.3
114.98885	8.2
115.02532	2.4
115.05962	1.4
117.00439	3.2
124.00764	1.4
127.00373	3.1
129.04198	3.3
155.98906	2.8
156.03024	1.3
156.06703	2.1
156.07784	37.6
156.49071	1.3
156.89366	1.5
156.91368	1.4
156.99864	3.0
157.03616	3.0
157.07581	1.5
157.08676	4.1
157.12346	12.0
159.01552	1.4
167.66391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33633	0.4
57.03476	0.5
57.97567	1.5
59.01387	100.0
60.01708	1.8
61.98839	0.8
67.01883	0.7
68.99820	1.2
69.03481	0.6
70.06009	0.8
71.01388	0.8
72.00927	0.4
75.00876	0.7
75.11645	0.4
78.95910	3.6
82.03020	0.7
83.01394	0.8
85.02968	1.0
85.99969	1.1
86.06123	4.8
95.01435	0.6
96.04591	1.2
96.96976	4.5
96.99390	0.4
97.00465	1.7
98.22606	0.4
99.00886	1.0
112.04069	4.7
114.03138	1.2
114.05643	1.2
115.05962	0.8
118.82602	0.4
127.00449	1.0
157.01448	0.8
157.08752	1.2
157.12396	1.4
157.87126	0.8
158.04663	0.8
158.08286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70239	0.3
59.01384	100.0
60.01718	1.1
64.07083	0.3
64.63747	0.3
71.01402	0.4
72.99332	1.3
74.99397	0.4
78.90485	0.3
79.95741	3.7
80.96561	0.5
81.95320	0.4
86.00004	0.3
98.21816	0.7
99.00927	0.6
111.08172	0.3
113.04619	0.9
113.09830	0.4
114.92099	0.7
114.93383	0.4
114.98885	7.4
114.99632	0.5
115.00406	0.4
115.02534	2.3
115.98972	0.7
116.07204	0.9
117.00452	2.9
127.00432	1.2
156.49069	0.8
156.90353	9.9
156.98804	0.6
156.99980	2.3
157.03545	1.7
157.08734	2.3
157.12343	3.7
157.90384	0.5
159.01486	2.1
160.01601	0.4
174.91466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
59.01384	24.4
62.96410	5.3
64.09044	0.8
68.05721	1.0
68.59814	0.8
69.87741	3.0
70.92066	0.8
75.00914	1.1
76.97989	2.0
84.99335	4.9
85.99966	2.2
96.96010	2.0
97.06493	1.0
99.00872	1.9
113.06099	100.0
113.09704	2.1
113.84998	0.9
114.06419	3.7
114.93423	2.2
115.00397	1.2
116.07172	2.0
120.96966	5.3
127.00376	5.5
139.07664	1.0
143.72800	1.1
156.86578	1.8
156.89465	3.1
157.02409	1.3
157.05055	7.5
157.08734	9.0
157.12350	13.0
157.86287	1.2
158.03569	1.5
158.08173	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	157.0872
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
50.43833	1.4
59.01385	31.3
59.97022	1.5
61.43759	1.5
64.98727	1.4
67.05533	5.1
69.23557	8.5
71.01393	24.5
83.05056	2.0
89.19137	1.5
91.44844	1.5
97.39811	1.4
104.09930	1.5
109.06593	11.1
111.08186	5.7
111.44324	1.4
121.06614	4.2
121.54833	1.4
127.07674	60.3
128.08026	3.7
139.07677	38.8
140.08000	3.7
157.08720	100.0
158.09033	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	158.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49364	0.2
51.85152	0.3
57.03436	0.2
59.01378	0.8
69.03466	0.2
71.01405	0.5
71.05019	0.3
73.02957	0.7
78.66873	0.2
83.01375	0.2
87.00889	0.4
90.93253	0.2
95.05038	3.3
96.15671	0.2
97.06598	14.3
99.92599	1.9
101.02471	0.4
103.03032	0.3
111.00913	0.3
114.94937	1.0
115.03043	0.6
115.07671	4.6
116.07175	1.0
116.92876	5.7
128.05038	0.3
129.01933	0.4
130.04134	0.2
130.89122	0.2
141.05659	0.3
157.02925	0.4
158.03613	100.0
158.84627	0.3
158.89336	0.2
158.93918	0.6
159.04039	4.7
159.05467	0.4
159.06665	3.9
159.10257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0462
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
55.01875	0.7
56.01411	0.6
57.03455	2.7
58.02976	0.9
59.01394	2.1
61.98838	5.7
66.03475	0.5
68.02539	0.4
69.03463	1.0
70.02982	0.3
71.01389	1.2
71.05027	0.3
72.00922	0.6
72.04555	1.4
72.99324	0.6
73.02944	0.5
74.02468	0.6
82.02989	2.9
82.95465	0.3
83.01403	1.4
84.04555	11.6
85.02959	1.7
85.04920	0.3
86.06123	94.1
87.00889	0.4
87.04534	0.3
87.06450	2.7
88.04050	1.1
89.85570	0.3
96.04568	5.4
97.02951	1.2
98.02502	0.7
98.06116	0.8
99.00885	0.8
100.04053	1.0
101.02440	0.4
112.04060	100.0
113.02476	0.4
113.04386	3.1
114.05621	19.5
115.00379	1.1
115.04005	1.0
115.05967	0.6
115.08794	0.9
116.07204	1.0
117.06716	0.5
126.01977	0.8
128.07283	0.4
129.02032	0.4
130.05093	0.5
140.03558	0.4
140.07249	0.4
141.01929	0.3
141.06712	0.6
157.90848	2.1
158.04604	16.8
158.08168	1.4
159.03024	1.2
159.04977	0.7
159.07727	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	158.0824
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
54.47980	0.7
57.03455	1.2
58.02984	1.5
59.01384	8.1
60.01703	2.2
61.98821	2.2
63.19835	0.7
69.03463	1.3
69.66879	2.5
71.01389	2.3
71.29641	0.7
73.02937	3.4
78.95901	6.1
83.01384	1.0
84.04567	0.7
85.02964	1.7
86.06121	3.5
87.00877	1.2
96.04559	12.6
97.02949	1.9
97.06623	1.2
99.00894	1.4
101.02460	1.4
111.00861	1.1
112.04049	2.5
114.09248	6.8
115.00376	1.2
116.07191	100.0
117.06802	0.8
117.07526	3.3
129.01970	1.6
140.07292	0.7
141.06766	1.2
157.86281	3.8
157.90860	0.9
158.04646	1.9
158.08241	13.0
158.89369	5.8
158.92561	5.0
158.93738	1.0
159.03018	2.8
160.72223	0.7
163.14336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01729	2.0
61.01825	0.8
69.20200	2.4
71.01379	0.8
73.02952	2.5
74.99377	1.3
84.42470	0.3
84.93889	0.5
87.00914	1.1
93.23585	0.4
97.06590	0.9
98.22675	0.8
99.00908	0.8
99.92605	3.2
101.02473	0.7
111.00907	1.2
113.02505	0.4
114.94948	2.3
115.02519	4.6
115.07700	0.6
116.92878	10.7
116.98676	1.8
117.00461	8.7
117.02250	0.5
117.92852	0.8
117.95547	6.6
118.00554	0.9
129.01944	0.9
141.02016	0.5
158.84743	0.5
158.89392	0.8
158.93932	1.1
158.99704	0.4
159.00250	0.5
159.01564	5.0
159.03088	1.4
159.06770	0.6
159.10301	0.8
159.89433	0.7
159.96613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.03
Annotation	D-2,3-Diketo 4-deoxy-epi-inositol
Peak:m/z	Relative Intensity
54.17355	1.8
54.19822	1.7
55.01879	5.0
57.03444	6.0
59.01381	24.8
61.98833	2.4
67.01893	2.4
68.99828	11.8
69.03465	4.1
69.84662	1.7
69.84963	3.2
71.01388	23.8
72.99319	5.2
73.02950	100.0
74.03290	2.4
75.00871	4.0
81.22566	2.2
83.01381	11.8
85.02951	12.2
86.95451	2.2
87.00883	48.7
88.04080	1.9
95.01418	1.9
97.02959	2.1
97.06609	6.7
99.00905	14.2
99.92596	25.6
100.92641	2.0
101.02452	31.7
111.00890	41.4
113.02460	19.5
113.09729	2.8
114.94949	20.7
115.94975	1.8
116.05045	2.0
116.92872	84.4
117.92876	6.1
129.01950	45.1
129.76831	2.0
150.81068	1.8
158.84753	4.9
158.89354	3.0
158.93922	8.3
159.03020	76.6
159.04459	6.5
159.06703	3.3
159.10258	3.4
159.89398	3.8
160.04083	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	160.0617
Annotation	beta-Alanopine
Peak:m/z	Relative Intensity
51.20948	0.2
56.05043	0.8
57.03455	5.7
57.97561	0.3
58.02985	8.4
59.01384	6.9
60.01711	0.3
61.98838	1.8
64.59168	0.2
66.40443	0.2
69.03457	0.5
70.02984	0.3
71.01384	4.0
71.05030	2.0
71.32653	0.3
72.04543	0.4
72.99305	0.6
73.02952	4.9
74.02480	3.0
75.00882	0.8
81.03477	1.2
81.04608	0.3
83.01411	0.6
84.04556	22.0
85.02969	3.3
85.04892	0.3
86.02517	0.3
86.06126	2.6
87.00881	3.1
87.04513	0.9
88.04050	100.0
89.02437	0.5
89.04378	1.7
97.02937	0.5
98.02475	1.3
98.05491	0.5
98.06124	8.3
99.00894	1.1
99.04523	3.3
99.06458	0.5
101.02440	1.0
112.04037	1.4
113.02460	1.0
114.05595	1.4
115.04005	1.1
115.07632	0.2
116.03578	0.3
116.07170	0.4
117.05592	2.9
117.95532	0.7
118.05125	6.3
125.02518	0.2
128.03499	0.3
130.05116	18.7
131.03514	0.8
131.05482	0.5
142.05118	0.7
142.89096	0.5
143.03557	0.4
143.89006	0.3
159.89412	7.3
160.06177	13.6
160.09746	0.4
160.89290	4.4
161.02441	0.5
161.03624	0.3
161.04590	2.2
161.06239	0.4
161.06789	0.3
161.08211	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	160.0618
Annotation	beta-Alanopine
Peak:m/z	Relative Intensity
53.15033	0.6
57.03452	10.5
57.97572	1.0
58.02983	12.8
58.64010	0.5
59.01091	0.4
59.01385	8.8
61.63597	0.5
61.75232	0.5
61.98835	50.2
65.11418	0.5
69.75685	1.5
70.50657	0.5
71.01392	7.0
71.05034	3.7
73.02951	5.5
74.02480	2.5
75.00863	0.6
81.03455	0.6
83.01411	0.7
84.04552	22.1
85.02960	5.6
86.06111	2.7
87.00883	4.7
87.04512	0.9
88.04048	100.0
89.04382	1.6
95.01386	1.2
97.02975	0.8
98.02473	0.7
98.06120	8.4
99.00900	0.9
99.04527	8.3
99.06413	0.4
101.02454	3.4
112.04082	1.3
113.02480	2.1
114.05619	1.9
115.04012	1.6
116.07193	0.9
117.05574	2.5
118.05113	6.7
130.05110	18.2
130.40475	0.6
131.03510	1.2
132.80083	0.4
142.05121	1.4
143.03535	2.0
144.03008	0.5
160.04153	0.9
160.06174	16.5
161.04597	5.5
161.05994	0.5
161.06389	0.5
161.08221	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	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72325	0.3
58.97120	0.3
59.01376	0.7
59.24218	0.3
69.24220	1.6
71.05010	0.7
73.02945	0.5
75.35941	0.3
83.01363	0.3
94.26458	0.3
99.04544	0.6
117.03473	100.0
118.03808	4.6
119.05075	0.3
133.02957	0.7
134.54752	0.3
148.48103	0.3
161.02451	88.5
161.08186	1.0
162.02817	4.6
175.12550	0.3
180.50105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0246
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
59.01364	1.3
69.07168	1.1
69.07581	2.0
71.01383	1.3
71.05008	1.1
73.02942	1.1
77.03965	1.9
85.02981	0.6
89.03953	0.5
95.05028	2.3
98.13485	0.4
99.04531	0.9
105.03465	1.9
117.03477	47.3
117.05595	1.2
118.03806	2.8
119.05051	0.6
121.02966	0.7
123.04543	4.5
128.92320	0.4
130.16026	0.4
132.02180	0.4
133.02968	30.6
133.06602	0.5
134.03336	1.4
160.01697	1.2
161.02458	100.0
161.06076	1.6
161.08240	1.6
162.02853	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	161.0247
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.25667	0.7
57.03448	0.8
59.01385	9.0
66.79308	0.6
69.30351	3.8
71.01384	5.6
71.05031	7.6
73.02953	7.7
79.69493	0.7
81.03480	1.2
83.01408	1.5
85.02958	6.7
87.00889	1.6
87.04536	3.3
89.02441	1.1
99.04511	7.5
101.02435	1.0
103.01562	0.9
115.04008	3.7
115.07675	1.4
115.92096	5.7
116.92088	1.5
116.92879	22.0
117.03481	100.0
117.05595	10.8
117.92908	2.6
118.02997	2.4
118.03818	6.2
118.71618	0.9
118.91924	0.7
118.92714	2.1
131.03513	2.6
133.02991	1.1
134.02530	0.9
142.92526	3.3
160.65642	0.7
160.84233	56.0
160.89279	2.4
160.93599	3.0
161.02461	91.3
161.04404	5.0
161.08203	14.8
161.84285	1.0
161.89388	1.0
162.01949	5.0
162.02940	3.2
162.05775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0247
Annotation	3-Hydroxycoumarin
Peak:m/z	Relative Intensity
57.03441	3.4
59.01387	14.8
60.99304	3.9
69.35609	0.9
69.40176	4.2
71.01386	10.3
71.05023	13.2
72.99293	1.4
73.02948	12.8
75.00886	1.2
77.03973	1.0
81.03465	1.8
82.97966	0.8
83.01395	2.7
85.02959	11.9
87.00882	3.9
87.04527	3.7
89.02457	2.2
91.01901	1.1
93.03459	1.1
95.62002	0.9
97.02962	1.6
98.21844	1.8
99.00877	1.8
99.04533	12.0
101.02423	1.5
105.03469	33.7
108.24396	0.9
108.94118	0.9
113.02459	2.6
115.04034	5.6
115.07690	1.2
115.92082	1.7
116.92865	10.1
117.03482	17.7
117.05581	13.4
117.92866	1.5
118.02986	3.1
118.03770	1.0
118.05888	1.3
118.92689	1.7
118.93432	1.1
119.05013	2.0
121.02975	58.8
122.03310	1.8
123.04541	20.2
125.02383	1.1
131.03510	4.9
133.02977	6.8
142.92549	1.9
149.02475	9.5
160.01665	14.9
160.84239	57.2
160.89276	3.2
160.93680	1.1
161.02461	100.0
161.04440	8.1
161.06099	5.7
161.08186	21.5
161.84221	1.4
162.01953	5.9
162.02945	4.2
162.05605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
52.15986	1.0
57.03456	74.8
59.01385	51.2
61.98832	1.5
70.79048	1.5
71.01389	29.8
71.05030	29.7
72.05341	1.4
72.99312	3.1
73.02959	20.3
75.00883	1.6
78.95927	1.3
81.03452	2.7
83.01394	4.5
85.02962	18.4
87.00884	70.6
87.04527	5.3
87.89678	1.0
88.04052	4.1
89.02473	2.6
89.04399	4.6
95.01402	1.6
97.02989	1.7
97.29784	1.1
99.00898	3.5
99.04529	100.0
100.04865	3.1
101.02459	43.7
103.02619	2.4
104.03544	1.2
112.98840	1.2
113.02447	5.5
115.04016	11.4
117.05582	17.3
119.18476	1.2
125.02461	1.0
131.03496	6.1
143.03517	23.3
143.04630	2.0
160.84206	1.0
160.89326	2.9
161.02513	1.7
161.04596	44.2
161.06613	2.1
161.08226	8.8
162.02000	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.061
Annotation	(+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol
Peak:m/z	Relative Intensity
53.17082	0.2
57.03444	0.4
59.01383	1.4
61.11312	0.2
61.76630	0.2
69.31690	1.1
70.40070	0.2
71.01398	1.2
71.05034	1.1
73.02951	1.2
85.02962	1.4
87.04534	0.5
92.47305	0.2
93.03459	0.2
98.21893	0.4
99.04542	1.4
113.02435	0.4
115.04025	0.6
116.92931	0.4
117.03469	4.1
117.05582	1.7
118.03014	0.4
118.03337	0.3
118.04268	7.0
119.05043	31.1
120.05367	1.6
121.02956	3.6
122.03245	0.2
123.04522	0.8
125.02429	0.3
127.46481	0.2
130.31947	0.2
131.03563	0.4
133.02974	0.9
133.06589	0.3
134.03746	0.7
143.05020	0.9
145.02979	1.9
146.03766	3.3
160.84238	0.9
160.89206	0.2
161.06102	100.0
162.01979	0.9
162.06447	6.8
166.27419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
59.01390	0.8
65.00323	0.7
65.03963	6.1
67.01897	1.4
69.00632	0.3
69.37007	1.2
71.01407	0.5
79.05538	1.1
82.41335	0.3
85.02987	0.4
85.30079	0.3
91.01918	0.6
93.03461	0.9
101.02443	1.0
103.39606	0.3
107.05040	9.8
108.05396	0.3
109.02962	4.7
117.03446	0.4
119.01399	0.3
119.05038	2.9
121.02978	0.8
133.02991	0.4
135.04536	100.0
136.04878	5.1
137.02454	0.4
147.04541	0.6
148.05327	12.4
149.05606	0.5
162.83937	0.8
163.00351	2.3
163.04027	20.2
163.06186	0.8
163.07697	0.9
164.04625	1.5
164.07167	0.3
175.67448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0615
Annotation	D-Rhamnose
Peak:m/z	Relative Intensity
55.01876	2.1
57.03447	1.3
59.01381	8.0
61.98837	67.4
69.91254	2.6
71.01392	17.6
71.05024	2.1
72.00898	1.1
72.99317	10.9
73.02956	100.0
74.03298	1.7
74.99088	1.1
75.00882	3.9
81.03458	6.0
82.97132	0.9
83.01401	6.9
83.05032	4.0
85.02978	5.3
87.00885	2.9
87.04512	3.5
89.02457	13.5
91.01910	1.7
93.03510	0.9
99.04533	17.6
101.02454	12.0
109.02953	1.7
113.02516	1.0
119.05043	12.9
135.00906	1.8
137.96532	1.1
143.03532	2.3
145.01414	2.3
145.05093	24.0
147.04556	2.6
161.04659	1.3
162.89322	1.3
163.00447	6.3
163.01601	1.4
163.03989	2.7
163.06154	54.5
164.03543	1.8
164.06381	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	163.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88478	0.9
55.01870	2.0
57.03437	2.9
59.01387	12.0
61.98836	49.4
70.80298	1.7
71.01392	20.4
71.05045	1.7
72.00909	1.1
72.99315	13.5
73.02953	100.0
74.03293	2.9
74.83073	0.8
75.00877	4.8
78.95921	1.2
79.95763	0.9
80.96510	0.8
81.03465	8.9
81.68396	0.8
83.01396	10.9
83.05042	4.5
85.02950	3.3
87.00876	3.2
87.04507	4.1
88.98795	1.2
89.02453	12.9
91.01910	2.8
93.03483	1.7
99.00898	2.3
99.04524	17.9
100.04884	0.9
101.02457	16.7
104.03570	1.0
113.02469	1.6
117.05596	0.9
119.02518	0.9
119.05032	15.5
120.04560	1.2
120.05357	0.9
134.97020	1.2
135.00916	2.8
136.04128	1.0
143.03526	2.2
145.01462	2.8
145.05084	24.6
147.04517	3.1
162.83972	1.6
162.89320	4.0
163.00423	10.8
163.01672	1.6
163.03976	3.1
163.06145	56.1
164.03581	1.1
164.06490	1.3
184.01454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43526	1.2
59.01382	7.6
59.07479	1.3
61.98846	1.6
62.94564	1.3
63.02404	2.4
69.18155	8.6
71.01378	3.2
71.20350	1.4
85.02950	5.9
87.89885	1.4
91.01890	10.4
91.28545	1.5
92.05080	2.1
93.03461	8.3
95.01365	1.8
101.02464	12.1
107.05048	12.3
108.02163	3.0
116.92101	3.9
118.92677	1.9
119.01396	4.7
119.02455	1.3
119.05040	43.4
119.08691	10.8
120.04591	2.2
120.05826	3.2
120.08995	1.3
121.02987	3.2
135.00882	9.9
135.04530	4.8
135.08179	5.6
136.04008	1.5
148.05316	3.4
162.83942	100.0
162.89227	10.4
162.90536	2.0
162.91531	1.8
163.00388	35.3
163.01620	3.0
163.04008	5.7
163.06171	7.2
163.07666	11.3
163.11328	3.9
163.83984	1.8
164.00862	1.5
164.03577	4.3
164.07173	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	163.0766
Annotation	Macropone
Peak:m/z	Relative Intensity
59.01386	23.0
63.02379	3.6
65.00326	4.3
71.01368	7.5
73.02959	6.4
73.19858	3.9
75.26354	4.2
85.02956	15.8
91.01905	35.9
93.03461	17.3
95.01448	4.2
101.02444	29.3
101.50613	4.1
102.50430	3.8
107.05050	62.2
107.08746	4.5
108.02179	15.7
113.02465	5.0
116.92109	4.4
117.07114	5.1
119.01411	15.9
119.05047	100.0
119.08674	42.9
120.05897	18.8
121.03014	11.9
122.03770	5.5
133.06642	6.8
135.00909	31.7
135.04541	12.8
135.08176	29.7
136.04044	4.0
148.05296	18.4
148.32906	4.5
156.69862	4.7
162.83955	80.9
162.89346	14.4
162.90492	7.0
163.00380	94.6
163.01506	4.0
163.02637	7.2
163.04033	18.3
163.06171	22.6
163.07663	48.5
163.11295	10.1
164.00813	4.8
164.03545	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.5
57.03439	1.7
59.01389	9.6
65.00330	3.1
69.88678	4.3
71.01385	4.1
73.02964	1.5
78.16851	1.3
85.02979	4.1
89.59164	1.6
91.01905	9.3
91.05479	1.7
93.03471	3.9
98.22614	1.7
101.02454	8.6
107.05043	20.6
108.02196	3.4
116.92079	2.6
119.01397	5.1
119.05050	35.1
119.08685	15.1
120.05796	5.8
121.02958	1.7
121.06621	2.7
122.03728	1.6
131.34950	1.5
133.06650	2.5
135.00948	7.0
135.04553	3.7
135.08188	8.7
147.04492	2.5
148.05344	3.5
162.83937	100.0
162.89326	5.2
162.90425	3.2
163.00375	28.6
163.01553	1.4
163.03999	7.4
163.06165	8.4
163.07672	12.2
163.11336	2.7
164.03571	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	163.0767
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
52.72749	0.1
53.30816	0.1
62.68134	0.2
70.39522	0.4
72.94638	0.1
81.66979	0.2
110.41504	0.2
119.05060	0.4
120.69434	0.2
121.02952	1.8
122.03793	0.3
135.04596	0.2
147.04543	3.1
148.05325	100.0
149.05653	5.4
153.01303	0.2
163.06288	0.2
163.07674	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	163.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51135	1.2
57.05458	1.0
59.01398	2.7
61.98828	2.3
72.46324	1.1
72.99290	1.7
82.22800	1.0
91.01902	3.7
93.03455	1.3
101.02496	2.1
103.01501	1.8
105.01943	2.3
116.92107	5.7
119.01405	1.1
119.05061	7.8
121.02971	1.3
128.47752	1.3
135.00922	3.1
135.04572	1.4
141.87167	1.2
161.50554	1.2
162.83913	13.7
162.89296	1.4
163.00395	6.7
163.04085	1.8
163.11304	100.0
164.03554	2.5
164.11604	6.6
170.43097	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	163.1125
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
59.01381	6.4
60.15099	1.2
61.98833	2.0
68.99804	1.1
70.96725	1.5
71.59436	1.2
78.91891	1.0
91.01908	4.4
92.01404	1.2
93.03444	1.8
95.01385	1.4
101.02444	3.1
103.01514	2.1
104.96736	1.3
105.01945	3.3
116.92118	14.6
116.92879	2.4
117.91903	1.4
118.92596	1.9
119.01405	1.5
119.05048	10.3
131.56270	1.2
135.00896	3.7
142.92567	1.6
144.92216	1.1
162.83936	12.0
162.89343	3.2
162.91444	2.0
163.00395	10.5
163.03999	2.1
163.06172	1.4
163.11305	100.0
164.11580	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	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.14399	0.7
58.00661	0.6
63.26466	0.5
70.08923	1.0
70.09261	1.3
70.58244	0.6
72.00914	42.3
91.05545	5.8
95.27475	0.7
98.83157	0.7
103.05544	6.0
146.06161	0.8
147.04538	100.0
148.04872	5.9
150.91023	0.6
164.07182	40.4
165.07550	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	164.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73621	0.4
52.48312	0.4
65.00330	100.0
66.00658	2.6
70.18383	0.5
70.18700	0.7
83.54251	0.4
92.99824	11.6
93.03476	0.4
96.99320	22.6
99.79675	0.4
108.99347	2.0
114.17513	0.4
119.05053	0.6
120.99317	4.3
121.02967	6.2
136.98820	23.6
137.02400	1.2
137.99162	0.7
147.04538	1.5
150.03310	0.9
151.00363	0.5
164.98309	15.8
165.01999	1.0
165.05568	0.9
165.09233	0.8
165.98709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0195
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
50.29836	0.2
59.01381	0.3
65.17692	0.2
69.10860	0.6
69.11266	0.7
75.00880	0.7
77.03975	5.9
78.95896	0.7
96.96963	0.4
98.21869	0.5
109.14637	0.2
111.58143	0.2
121.02969	100.0
122.03294	4.3
136.01575	0.2
137.02423	0.7
149.00984	0.7
150.03270	0.5
164.89558	1.6
165.01949	6.4
165.04076	0.5
165.05528	0.4
166.01523	0.3
180.90639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0195
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
63.19830	0.4
70.07801	1.1
77.03979	1.2
80.06355	0.4
93.03455	0.9
93.26897	0.4
98.39046	0.5
121.02971	100.0
122.03297	5.0
137.02458	1.5
149.01022	0.7
164.83638	3.4
164.89641	0.5
165.01945	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	165.0406
Annotation	L-Arabinonate
Peak:m/z	Relative Intensity
55.01876	2.2
57.03443	2.0
57.85122	1.0
59.01389	13.5
67.98526	1.0
69.54490	3.9
71.01390	6.9
72.99321	5.4
73.02936	3.9
75.00880	100.0
85.02951	1.9
87.00885	78.2
89.02460	3.7
98.21938	1.9
99.00893	18.8
100.01259	1.0
101.02476	4.6
105.01950	56.9
106.02276	1.1
111.00924	0.9
117.01963	3.1
129.01964	10.4
135.02986	1.6
147.03023	7.0
165.04063	63.0
166.04343	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	165.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.7
57.03445	1.5
59.01090	0.6
59.01387	12.5
61.98835	12.5
63.99261	0.9
67.01896	0.5
71.01392	8.4
71.36754	0.6
71.96895	0.5
72.99317	4.5
73.02944	3.4
75.00880	100.0
75.87895	0.5
76.01218	1.3
77.00674	7.6
80.96529	1.5
83.01457	0.6
85.02956	2.5
87.00884	43.8
88.01216	1.0
89.02457	4.2
99.00891	10.4
101.02467	2.6
105.01945	29.8
106.02279	0.6
108.04575	1.0
117.01936	2.0
119.03482	0.7
121.02966	5.5
129.01952	10.8
137.02469	1.7
138.05634	1.3
147.03009	6.6
148.04990	0.6
165.01868	1.4
165.04062	46.8
166.01558	0.8
166.04381	1.0
166.06329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	4-Methoxyphenylacetic acid
Peak:m/z	Relative Intensity
53.85067	0.5
59.01384	100.0
60.01711	1.3
65.00322	1.2
67.72374	0.5
69.95452	1.1
69.95777	0.7
94.17413	0.5
119.05009	0.6
121.02979	6.4
150.03206	0.7
165.01910	0.7
165.05569	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	165.0558
Annotation	3-(2-Hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
59.01383	100.0
60.01720	1.5
65.00320	7.9
67.94891	0.8
69.15859	4.7
69.16204	1.0
70.88530	0.7
82.99110	0.7
92.99827	0.8
93.66440	0.8
96.99325	1.9
120.99343	0.7
121.02989	0.8
136.98824	2.1
138.18097	0.8
164.98364	0.9
165.05600	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	166.0273
Annotation	isovanillate
Peak:m/z	Relative Intensity
50.83412	0.3
54.01137	0.2
59.01382	0.3
61.13126	0.2
62.24764	0.3
66.03486	0.7
67.01893	8.0
69.03455	0.4
69.10859	1.6
79.01888	1.3
84.20144	0.3
93.03500	0.3
95.01397	9.7
95.05051	0.3
101.01481	0.2
104.05106	1.2
108.02196	2.6
108.04580	0.6
121.02966	0.7
122.03281	1.7
122.06127	2.8
123.00904	53.6
123.04491	1.4
123.08114	0.4
124.01176	2.1
124.04053	0.4
136.01656	0.9
137.02486	2.4
138.01886	0.3
138.02898	0.4
138.05588	0.6
140.02538	0.4
151.00395	100.0
152.01077	6.1
165.01968	2.1
166.01489	2.3
166.02736	6.7
166.05019	1.8
167.03574	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	166.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97130	0.2
53.08887	0.2
54.95129	0.2
67.01897	7.9
68.99837	0.4
69.86772	0.2
70.01536	0.9
79.01900	1.0
95.01396	8.9
96.01746	0.5
107.01423	0.4
108.02175	1.2
112.35216	0.3
118.23714	0.3
122.03310	0.6
123.00900	52.8
124.01186	2.2
132.08244	0.2
132.33749	0.2
137.02484	1.5
138.02858	0.4
151.00386	100.0
152.00735	5.7
165.01945	1.9
166.01466	0.8
166.02736	6.7
166.05089	0.7
167.03493	0.9
167.07225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	Orthoform
Peak:m/z	Relative Intensity
53.75143	0.3
59.51853	0.3
59.86143	0.3
64.72411	0.3
66.03484	0.4
67.01921	0.4
71.42681	0.3
79.91885	0.3
93.03486	0.9
94.02969	0.5
95.01400	1.3
95.05012	0.3
108.02200	1.9
108.04623	0.5
118.02905	0.3
121.02973	12.7
122.02483	0.6
122.03301	1.6
122.06123	0.5
123.00896	1.1
123.04509	1.0
124.04082	0.5
124.98433	1.8
136.01694	1.2
136.05315	10.4
137.05705	0.6
138.01959	0.6
138.02994	0.3
151.02768	31.7
152.01167	2.8
152.03140	1.0
166.01456	3.3
166.05113	100.0
166.83344	0.5
166.99663	0.5
167.03548	1.3
167.05511	3.7
183.01747	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	166.0512
Annotation	Orthoform
Peak:m/z	Relative Intensity
56.07063	0.4
61.88316	0.4
69.14909	2.4
78.95905	0.7
91.69598	0.4
95.01396	1.3
98.22724	0.9
108.02182	2.8
108.04597	0.5
121.02982	0.6
122.02496	0.5
122.03281	1.8
122.06159	0.8
123.00904	1.7
123.04545	1.5
124.04078	0.9
124.98435	2.5
134.45064	0.5
135.04538	0.9
136.01682	1.8
136.05315	29.5
137.02522	0.5
137.05652	1.0
138.01950	0.7
139.00378	0.5
140.02547	0.6
151.00391	0.8
152.01164	4.3
165.83734	0.6
166.01431	4.9
166.05113	100.0
166.83366	0.7
167.03549	3.2
167.05495	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	167.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54311	0.4
64.58833	0.3
64.93015	0.3
65.00322	1.7
69.82109	0.3
70.96644	0.3
78.95927	0.4
79.01872	0.3
80.02672	2.3
81.03465	2.5
83.01395	1.2
88.00364	0.3
91.01903	7.3
95.01386	1.4
95.05041	0.8
96.04574	0.4
107.01340	0.4
108.02184	57.7
109.02460	2.2
111.00903	0.7
121.02929	0.5
123.00891	1.5
123.04536	30.5
124.01641	1.2
124.04850	1.3
124.98447	0.6
125.02455	1.2
132.86839	0.4
146.57051	0.3
151.00443	0.7
152.01164	100.0
153.01569	4.0
166.83392	0.4
167.03511	25.1
168.03926	0.7
172.32262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0352
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
54.05215	0.4
69.75370	0.5
70.63871	0.6
70.64204	0.7
73.16361	0.5
78.95909	42.1
80.02690	1.8
91.01907	1.0
95.01398	1.4
96.04584	0.5
108.02184	62.6
109.02505	2.0
110.98543	27.0
123.00919	1.5
123.04546	14.1
124.04855	0.7
132.86804	2.0
135.81616	0.5
152.01170	100.0
153.01501	3.8
164.51698	0.6
166.83348	1.0
167.03519	15.0
167.04823	4.3
167.07095	0.8
168.03906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59756	0.2
70.11131	0.5
70.11494	0.4
71.57529	0.2
78.95914	100.0
93.12989	0.2
98.21942	0.3
110.98547	71.3
111.98891	0.3
152.01176	0.5
167.04813	12.7
168.05190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35746	0.3
51.79910	0.3
55.60414	0.3
60.84618	0.3
62.96415	0.3
66.80755	0.4
69.57732	0.7
69.58122	0.8
71.05023	0.4
77.12721	0.4
78.95914	100.0
95.01421	0.7
98.21829	0.5
102.06841	0.4
108.02192	1.4
110.98546	59.7
116.31411	0.4
123.00885	0.5
123.04533	1.0
124.01656	0.4
131.81169	0.3
139.34132	0.3
152.01176	3.2
167.03607	1.9
167.04802	45.2
168.05171	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	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01260	0.9
53.73892	0.9
57.17574	0.9
58.02980	100.0
62.90260	1.0
69.83748	3.3
80.84277	1.1
94.84766	0.9
96.04604	1.7
96.99334	1.1
97.02922	1.1
98.21823	1.0
112.08573	1.1
125.02478	10.3
125.98593	1.1
151.56119	1.0
153.00699	11.9
168.03108	2.9
168.10370	1.4
168.13835	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	168.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
68.99812	0.9
69.03465	1.3
70.02982	2.1
74.99095	0.8
76.97013	11.3
78.95905	2.8
81.03458	0.8
83.89171	0.7
84.04581	1.1
85.02927	0.8
88.04070	0.7
94.98062	3.3
96.96018	0.7
97.02988	1.3
98.02461	0.9
98.06124	1.0
99.00926	0.8
109.04104	0.9
110.02503	1.1
111.00877	1.0
113.02456	0.9
125.01055	2.8
125.02451	2.5
125.06114	1.0
125.09738	3.5
126.05630	1.1
126.90377	6.1
126.98916	7.7
134.04755	7.1
134.86629	0.7
139.00397	3.7
139.02673	0.6
140.03549	4.8
141.97632	1.9
141.99985	1.7
150.98900	100.0
151.98857	6.2
152.96828	33.1
153.96844	1.6
154.02711	1.1
168.83638	8.7
168.91443	1.1
168.99986	20.1
169.01534	2.9
169.05103	1.1
169.99867	1.4
170.04654	5.4
170.87366	0.7
170.97876	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	169.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01368	0.7
65.00304	0.9
68.99809	0.7
69.03471	1.9
71.41249	0.7
78.95901	0.6
81.03458	1.9
83.01392	1.8
96.99327	0.7
97.02958	1.8
103.30818	0.7
111.00895	26.5
111.85523	0.7
112.01237	1.1
125.02472	8.8
125.09753	3.0
125.99590	1.2
126.90379	2.9
132.86818	1.9
134.86551	5.1
139.00392	100.0
140.00708	3.0
151.00426	2.6
153.01962	1.6
153.99156	1.2
154.02739	46.4
155.03052	2.0
168.83606	5.0
169.01468	4.4
169.05135	3.5
169.08810	0.8
169.83522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	0.6
58.00589	2.3
59.01372	1.4
61.98837	0.9
65.00335	1.6
67.05534	2.3
68.99840	1.0
69.25201	2.9
71.01393	0.5
73.02937	1.3
87.00865	0.5
89.02426	0.7
90.62988	0.6
93.03427	0.7
95.05031	3.9
96.02203	2.5
98.21805	0.9
99.00899	3.3
99.08180	0.9
99.92593	1.0
101.02478	0.7
101.06097	3.2
111.00893	0.6
111.04534	10.1
112.04900	0.6
112.06245	0.6
113.06092	1.8
117.06337	0.5
121.02955	0.8
124.01675	13.6
124.02516	1.1
127.07660	3.8
127.11335	1.0
129.05621	2.1
130.08781	0.7
132.84543	0.5
134.86578	1.5
136.86319	0.8
139.04033	100.0
140.04356	3.4
144.04602	1.1
153.05592	1.4
154.63116	0.6
170.83359	1.1
170.88351	1.0
171.02007	9.1
171.06699	4.9
171.10277	7.4
171.13919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35156	2.7
59.01376	15.4
61.98834	10.2
65.00324	7.7
68.99840	5.2
70.35980	2.3
70.36295	4.4
71.01385	10.2
71.05025	3.1
72.99329	4.5
73.02956	10.9
83.05083	2.5
84.02199	3.3
87.04527	11.6
96.96016	5.2
97.06610	7.4
98.21959	2.7
99.00899	20.8
99.04517	3.2
99.92603	15.1
101.02453	10.1
101.06090	100.0
107.05022	2.8
111.04546	3.6
113.06100	39.7
115.04019	17.6
115.07659	22.5
125.09757	3.1
125.45707	2.6
127.00428	2.5
127.07675	16.2
127.11280	6.3
128.90112	10.1
129.05611	24.3
130.08751	5.7
134.86537	9.6
136.86287	12.8
143.07178	6.5
144.04533	3.8
150.31979	2.5
152.98296	4.0
153.05598	29.4
153.09302	3.3
166.68787	2.4
170.83316	8.2
170.88380	15.0
170.91209	4.2
171.02037	66.8
171.06683	21.4
171.10294	54.8
171.13962	7.7
172.04066	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	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
50.32127	0.5
52.40397	0.6
58.00599	0.7
61.98833	0.7
68.99824	0.7
69.26552	3.2
74.75407	0.5
89.02481	0.9
94.51981	0.6
98.21851	1.1
99.00891	3.4
99.08149	0.9
99.92612	2.6
109.06599	0.8
125.09752	4.2
127.03084	0.7
127.04022	0.6
127.07698	4.4
127.11311	6.6
127.12230	0.9
128.90083	0.6
130.08762	1.6
135.77275	0.5
136.86328	1.7
144.04558	1.5
153.09224	2.0
170.83299	1.5
170.88342	1.6
171.02013	13.6
171.03374	1.2
171.10286	100.0
172.03932	0.6
172.10693	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	171.1028
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
50.41994	0.4
55.01871	0.6
56.04766	0.4
59.01376	1.1
61.98826	1.7
65.00316	1.0
65.40350	0.5
68.99825	0.8
69.36127	0.5
69.76934	1.4
69.77293	0.7
79.06436	0.5
81.04579	0.8
84.58450	0.5
89.02438	0.8
96.96031	1.0
99.00895	3.4
99.08151	0.7
99.92595	2.0
113.81741	0.5
125.09715	3.4
127.07634	2.6
127.11300	7.4
128.90038	0.8
130.08745	1.7
134.86560	1.7
136.86285	2.0
144.04539	0.7
153.09230	1.6
170.83340	2.2
170.88367	1.4
171.02013	11.5
171.10284	100.0
171.13895	1.7
172.02490	0.5
172.04080	0.8
172.10638	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	171.1029
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
51.82727	0.5
59.01380	1.2
59.26356	0.5
61.98826	1.5
65.00317	1.2
68.99834	1.2
69.64477	1.0
69.64831	1.9
71.01379	0.6
78.95894	0.5
79.14151	0.5
81.04569	0.7
81.33636	0.5
83.01427	0.7
89.02456	0.6
96.96017	0.8
99.00894	3.2
99.08150	0.8
99.92596	2.6
101.06092	1.8
108.99333	0.5
113.06087	0.6
115.07628	0.9
123.08170	0.6
125.09756	2.8
127.07653	2.4
127.11297	7.5
128.90112	0.9
129.05589	0.6
130.08755	1.1
134.86523	1.8
136.86259	2.3
144.04543	1.0
153.09207	1.6
169.07002	0.5
170.83380	1.0
170.88420	1.0
171.02010	10.7
171.10283	100.0
172.04001	0.7
172.10684	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	171.1028
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
50.63701	0.6
57.03452	4.2
59.01384	9.1
59.37821	0.6
65.00350	0.9
69.03444	2.2
69.34242	3.9
72.25777	0.7
79.95754	0.7
99.00864	0.9
100.09901	0.7
109.06585	3.0
111.08171	42.5
112.08514	1.4
123.49239	0.7
125.09754	1.4
127.07684	1.5
127.11307	12.1
128.11656	0.7
130.08730	1.6
153.09224	55.0
154.09593	1.8
155.98912	1.0
171.02057	6.3
171.10284	100.0
171.13962	2.6
172.04395	0.7
172.10660	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	172.0407
Annotation	3-indolylglyoxal
Peak:m/z	Relative Intensity
50.63890	0.2
55.17611	0.2
55.83211	0.2
60.95757	0.3
67.01859	0.3
69.10946	1.6
71.01403	0.3
93.03465	1.4
99.92601	0.8
108.02188	0.6
110.02201	0.2
111.00906	0.5
111.08160	0.5
116.05074	2.2
117.03459	0.3
126.03520	0.9
129.09227	0.9
130.08730	0.8
131.08238	0.3
143.03751	0.6
144.04568	100.0
145.03160	0.3
145.04932	5.5
146.06137	0.4
172.04063	45.5
172.14296	0.3
173.02959	0.4
173.04398	2.8
173.08228	0.7
187.75697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.69582	0.3
58.02979	1.3
63.33677	0.3
67.80296	0.2
69.31683	1.3
82.06618	0.8
93.03474	1.9
99.92618	0.3
111.08170	0.4
116.05013	0.3
128.10840	2.4
130.08751	100.0
131.08318	0.4
131.09105	3.0
139.46005	0.3
144.04594	1.8
172.04033	0.5
172.09801	11.8
173.10120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00319	5.5
55.01877	5.6
57.03465	5.4
58.02985	10.7
59.01379	7.2
61.44617	1.0
61.98850	2.4
67.01897	7.5
68.99837	1.9
71.01392	55.9
72.01755	1.2
72.65717	1.1
72.99303	6.0
73.02956	9.4
74.02480	2.9
78.95901	8.1
80.99831	3.0
83.01385	5.5
83.05047	2.6
85.02959	53.6
85.91138	1.2
86.06123	2.8
87.00862	9.0
87.05640	6.9
88.04050	1.2
93.03476	14.8
93.08322	1.1
96.96976	16.9
96.99337	6.3
99.00893	23.0
99.04540	2.0
100.07705	8.9
111.00894	65.4
111.04549	4.8
112.01199	1.5
112.04953	1.2
112.98824	41.8
114.05689	1.4
115.00401	5.7
124.25622	1.2
124.98820	28.2
128.07195	18.8
129.01956	8.5
129.10390	2.7
131.08281	66.4
132.06674	2.8
132.08611	2.2
137.02458	1.8
140.98354	5.4
142.99879	100.0
144.00220	3.2
150.10321	1.1
154.99893	3.3
155.03529	2.0
156.07811	1.2
173.00906	4.9
173.04517	1.3
173.09258	1.5
173.10533	2.1
174.07745	15.4
178.05315	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00307	1.6
55.01881	3.8
57.03445	2.6
58.02971	0.7
58.04097	0.7
59.01388	4.4
59.84079	0.5
60.99305	0.8
67.01897	3.1
68.99809	1.5
71.01389	44.1
72.01746	0.8
72.99312	2.0
73.02945	4.7
73.58981	0.6
78.95908	6.1
80.99827	1.0
83.01387	5.1
83.05042	1.1
83.06170	0.6
84.99313	0.8
85.02956	4.7
87.00861	3.2
93.03461	6.5
96.96024	1.3
96.96970	8.4
96.99323	1.9
99.00890	18.0
111.00893	17.4
111.04536	1.8
112.98823	27.2
114.05634	1.6
115.00373	2.1
124.98826	13.5
129.01936	2.2
131.08278	100.0
132.08627	2.2
137.02423	0.7
140.98305	1.1
142.99876	39.0
144.00223	0.8
156.07784	3.0
173.00909	3.8
173.04512	0.8
173.10529	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	173.0608
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
52.47680	0.3
59.65174	0.3
67.01908	0.4
68.99823	1.0
69.08935	2.6
73.09080	0.3
93.03475	0.9
95.01401	1.5
98.78883	0.3
101.02437	1.1
101.03977	1.2
103.05536	1.3
111.08147	0.4
112.16792	0.4
117.03455	1.0
117.07115	0.7
127.05568	0.7
129.07141	0.7
130.04253	2.2
131.05043	9.4
132.05379	0.5
143.05046	0.7
145.02946	1.0
145.06607	9.2
146.06975	0.5
151.76120	0.3
155.05067	0.9
158.03758	0.3
166.01384	0.3
172.05336	0.8
173.02473	2.4
173.06091	100.0
174.06432	5.9
174.07759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.082
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
59.01387	92.8
60.01716	1.0
65.97042	1.2
67.01900	4.1
69.27827	3.9
70.77215	1.1
71.01392	2.0
72.99295	1.0
73.02937	1.1
78.95913	2.2
81.05775	1.1
83.05039	2.8
85.06599	25.0
91.56813	1.1
93.03468	14.1
99.00912	1.0
100.92669	1.2
111.00900	4.6
111.04517	2.9
111.08177	13.8
113.06104	13.0
131.07166	100.0
131.08212	6.3
132.07503	3.4
145.02985	1.4
145.04883	3.3
145.06540	1.0
151.00186	1.2
173.02435	2.5
173.04524	2.9
173.05986	1.3
173.08214	6.5
174.05682	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	173.082
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03453	5.0
59.01383	3.7
60.78878	0.3
64.90531	0.3
67.01899	1.6
69.03458	0.5
71.01385	0.8
71.41465	0.3
72.99312	0.3
73.02961	0.3
79.12756	0.3
81.03462	0.9
83.05034	14.1
84.05366	0.5
85.06577	0.9
93.03463	5.6
99.00903	0.3
107.74288	0.3
109.06605	4.0
111.00921	1.8
111.04531	1.4
111.08169	100.0
112.08509	4.5
113.06126	0.7
115.00243	0.3
123.37946	0.3
129.08315	0.6
129.09230	6.0
130.06651	0.6
131.07161	2.8
131.08260	1.3
155.07178	0.7
173.02481	0.8
173.04803	0.7
173.08206	32.2
174.05621	0.6
174.08543	1.3
175.96358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.4
59.72512	0.3
61.98838	3.9
66.74972	0.3
67.01942	0.3
68.54686	0.3
68.99858	0.4
69.91133	0.8
71.01392	1.4
72.99310	1.2
73.02936	0.4
78.95914	7.0
83.01379	0.4
83.06181	0.4
85.02956	1.7
85.07677	0.4
85.19633	0.3
87.05649	0.8
93.03473	0.9
96.96011	0.8
96.96976	9.9
99.00870	0.5
111.00898	5.9
111.04536	1.2
111.05691	0.2
112.08807	0.5
112.98824	0.7
113.07212	0.6
114.01977	0.4
114.05589	1.3
117.06928	0.3
118.14500	0.3
120.14355	0.2
123.05616	0.3
129.01875	0.4
131.08279	100.0
132.08659	2.9
133.86650	0.3
142.99895	0.9
151.54410	0.3
156.07794	2.6
172.83087	1.1
173.09274	1.0
173.10474	3.6
173.88599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87311	0.2
58.04115	0.3
64.70333	0.2
67.13139	0.2
68.92581	0.2
70.93628	0.3
70.93957	0.3
71.01394	1.0
83.06149	0.4
83.31252	0.2
85.07751	0.3
85.35397	0.2
93.03457	0.5
99.00877	0.5
111.00892	0.2
112.08836	0.6
112.98878	0.6
113.07225	0.3
114.05652	1.4
124.98827	0.4
131.08281	100.0
132.08643	2.5
142.99876	1.4
156.07820	2.4
173.00868	0.3
173.10474	4.4
173.11931	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	173.1185
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
59.63950	0.3
65.16890	0.3
67.01873	0.5
69.07478	2.6
78.97764	0.3
93.03473	1.9
110.32493	0.3
111.00902	0.6
111.08197	1.0
125.07515	0.3
127.11308	11.2
131.08253	0.7
132.50551	0.3
133.68636	0.4
155.10777	2.6
171.10294	0.9
173.11842	100.0
174.05643	0.5
174.12187	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	174.0561
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
54.37166	0.7
56.62084	0.6
57.71737	0.6
59.01370	1.6
63.15826	0.6
63.35350	0.6
68.02890	0.6
69.80850	0.6
69.81190	2.1
72.99239	0.6
96.11176	0.6
116.05076	43.9
117.05416	1.8
121.41369	0.6
128.05080	29.8
128.07123	1.4
129.05438	1.4
130.06638	66.6
131.05026	0.7
131.06975	5.1
144.04568	9.8
146.06133	67.4
147.06427	3.1
147.08212	1.1
156.04579	9.4
172.04068	4.1
173.02501	0.9
174.05611	100.0
175.04213	3.3
175.05936	6.8
175.07661	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	175.0248
Annotation	2-Hydroxy-3-oxoadipate
Peak:m/z	Relative Intensity
55.01881	6.9
55.02597	3.7
57.03451	9.0
59.01384	100.0
67.01906	3.8
69.63926	12.4
69.64304	7.1
71.01389	74.5
72.99313	10.0
73.02954	6.2
75.00876	28.0
78.33505	3.1
84.02243	3.0
85.02959	82.8
87.00882	24.4
89.02463	12.8
95.01389	21.2
99.00896	28.3
103.00365	7.5
113.02455	31.7
115.00386	7.6
117.01938	10.9
129.01947	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	175.0248
Annotation	2-Hydroxy-3-oxoadipate
Peak:m/z	Relative Intensity
57.03479	10.3
57.79824	4.9
59.01384	100.0
68.99834	7.5
69.15372	23.2
69.15774	12.1
71.01395	46.3
71.20224	4.9
72.99306	10.0
75.00871	24.8
85.02951	70.9
87.00887	28.2
89.02450	12.3
95.01384	18.3
99.00887	21.4
113.02476	29.9
115.00394	11.3
161.55997	5.9
175.04022	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	175.025
Annotation	2-Hydroxy-3-oxoadipate
Peak:m/z	Relative Intensity
57.03448	9.5
59.01384	100.0
67.01888	3.5
68.99818	3.7
69.68298	4.9
71.01387	44.4
72.99314	11.8
73.02953	5.7
75.00878	18.6
75.13999	2.2
78.95901	4.3
83.01409	3.6
84.02206	2.4
85.02958	54.0
87.00880	20.0
89.02455	11.1
95.01411	15.9
98.51205	1.9
99.00888	20.8
103.00364	2.8
113.02454	21.5
115.00426	4.7
117.01962	7.9
129.02029	2.6
132.98199	13.4
136.89726	2.0
147.04515	6.0
173.02377	3.6
174.03220	5.6
174.89055	2.5
174.99243	2.7
175.03938	20.3
175.06242	4.4
175.07544	3.0
176.03471	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	175.025
Annotation	2-Hydroxy-3-oxoadipate
Peak:m/z	Relative Intensity
55.01885	5.0
55.30399	0.8
57.03453	15.1
59.01384	21.4
67.01894	2.4
68.99826	2.0
69.03461	7.0
69.52111	3.8
69.52508	1.5
71.01389	12.9
72.00918	3.5
72.99313	66.3
73.02951	67.3
73.99647	1.0
74.03277	1.0
75.00881	3.2
77.02003	0.8
83.01391	7.1
84.02177	1.8
85.02956	100.0
86.03294	2.7
87.00897	3.9
89.03576	15.6
95.01396	23.6
96.99323	3.0
99.00889	23.4
99.01538	1.1
101.02451	64.7
102.02799	1.3
103.03094	0.8
103.97036	0.9
111.00912	2.0
113.02459	80.2
114.02807	2.0
129.01936	1.1
131.03522	6.9
132.04137	2.5
157.01421	7.9
169.40874	1.0
170.91820	0.9
175.02441	2.1
188.81689	0.8
192.34933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0613
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
59.01383	9.0
69.47359	1.8
71.05032	0.8
77.16360	0.5
85.06599	44.1
86.06946	1.3
87.04524	0.8
98.22614	1.0
106.73898	0.5
113.06100	37.8
114.06457	1.4
115.04024	100.0
116.04343	3.0
129.05594	1.1
131.07147	8.4
132.98181	1.3
142.72121	0.5
157.05086	9.2
174.99199	0.5
175.06134	43.9
176.06500	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	177.0195
Annotation	Esculetin
Peak:m/z	Relative Intensity
63.02405	2.1
65.00328	1.8
65.03972	0.3
67.01890	1.1
68.99827	0.4
69.10384	0.2
69.44566	0.6
69.58324	0.2
71.01373	0.2
77.03999	0.5
79.95751	1.2
81.04362	0.2
82.34531	0.2
88.82073	0.2
89.00335	0.8
89.03978	4.2
91.01907	4.0
93.03486	0.4
95.05042	1.7
105.03465	2.2
107.01409	2.4
109.02962	2.2
121.02953	1.2
123.04540	0.8
133.02982	8.4
134.03305	0.3
135.00896	3.2
145.02962	0.4
147.00833	0.4
149.02478	1.7
151.00395	0.3
162.03232	0.7
177.01950	100.0
178.02315	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	177.0558
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.39405	0.1
62.24302	0.2
64.79933	0.1
69.06563	0.7
69.06973	0.4
93.03465	0.4
95.05043	0.1
105.03471	0.3
106.04285	0.9
120.02190	0.8
121.02946	0.7
123.04511	0.5
133.02983	1.0
134.03764	5.5
135.04114	0.1
145.02922	0.2
145.53630	0.2
149.02399	0.4
161.02475	1.4
162.03247	100.0
163.03589	4.6
174.75272	0.2
177.01985	2.0
177.05592	10.5
178.05952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.056
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01392	0.5
71.27586	0.3
84.12635	0.3
93.03442	0.5
95.01397	0.4
98.21891	0.8
105.03490	1.0
108.02151	0.3
117.03481	45.2
118.04286	22.1
119.04629	0.8
121.02970	17.7
122.03311	0.4
123.04544	5.5
129.02022	0.3
132.02217	0.4
133.02983	4.8
133.06638	0.5
134.03757	1.3
136.04121	0.3
145.02972	61.1
146.03285	2.3
147.04597	0.5
149.02432	0.7
149.06171	0.4
158.26245	0.3
162.03249	11.6
163.03677	0.3
177.02290	3.6
177.05589	100.0
178.05963	5.2
197.86984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
60.23475	0.2
64.09982	0.2
65.00320	0.2
65.03970	1.2
67.01907	0.4
79.05563	0.4
87.00915	0.4
107.05038	4.0
109.02959	1.6
118.99194	0.2
135.04541	71.5
136.04880	2.6
149.06100	0.5
155.15771	0.2
163.04027	100.0
164.04366	5.1
177.05646	0.3
178.06364	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	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05833	0.2
55.81630	0.2
57.03601	0.2
57.50505	0.2
59.01384	0.4
60.42694	0.2
66.04061	0.2
69.75636	0.7
87.00871	0.2
95.95238	0.3
98.21967	0.3
103.35728	0.2
104.77130	0.2
107.16354	0.2
111.14203	0.2
112.79978	0.2
119.92504	0.2
119.93732	5.0
125.45596	0.2
134.96101	40.2
135.04517	0.3
135.96172	2.9
136.94020	100.0
137.94086	7.1
151.57268	0.3
151.92732	12.4
152.92787	0.9
178.95071	57.3
179.05566	0.3
179.95197	3.9
196.96049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	11.5
69.70674	2.6
69.71066	3.8
71.01389	5.8
72.99316	2.4
75.00886	7.0
78.95911	59.0
85.02958	9.1
87.00888	13.0
89.02451	6.3
90.11601	1.7
90.62315	1.6
96.96024	100.0
96.96977	92.6
97.02972	2.5
99.00903	4.4
101.02422	2.3
101.46066	1.7
107.90562	1.6
117.01972	2.5
131.03580	2.9
134.96092	4.7
135.04567	2.2
136.94026	16.7
141.03288	1.7
147.24289	1.6
151.92764	1.9
161.04553	10.7
178.95029	10.1
179.05618	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	179.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.71765	0.5
56.12812	0.5
57.03439	1.4
59.01384	23.2
65.12399	0.4
68.99802	0.6
69.03448	0.8
69.85066	1.1
71.01392	11.3
72.99317	1.2
73.02956	3.9
75.00880	10.1
78.95912	18.1
79.95743	0.9
81.03454	0.7
83.01391	2.0
84.54333	0.5
85.02962	7.0
87.00884	100.0
87.04520	21.3
88.01225	2.1
89.02464	3.3
93.03484	1.1
94.02986	2.2
95.01386	1.1
96.96025	1.1
96.96971	9.1
97.02927	2.8
97.15578	0.4
97.74762	0.6
98.21960	1.0
99.00889	7.8
101.02474	3.6
107.01404	1.1
107.05042	1.0
108.02193	1.3
108.04604	0.6
109.02959	1.4
111.00913	0.6
113.02470	1.6
117.01951	4.2
118.99294	3.1
119.05018	0.6
121.02957	1.4
122.03766	0.7
123.04534	0.8
125.02456	3.5
129.01959	0.9
135.04532	10.4
136.01649	1.5
136.07675	0.8
136.94055	3.4
136.94946	0.9
137.02464	0.7
141.01950	2.8
143.03484	1.0
145.12598	0.5
148.04080	1.1
149.02419	1.0
150.94812	0.9
151.03986	1.1
151.07677	0.9
159.03004	1.4
161.04575	15.0
164.01164	1.1
164.04865	1.1
178.81488	1.1
178.85938	0.7
178.99899	1.5
179.01482	1.1
179.03807	15.4
179.05618	17.8
179.07205	1.5
179.10753	1.0
180.01689	0.6
180.03026	1.5
180.06592	1.5
187.87836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0564
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
55.01886	1.1
57.03463	1.2
59.01385	47.1
69.03452	2.8
69.66653	1.5
69.67033	1.9
69.81281	0.8
71.01390	35.3
71.05026	3.6
72.99316	8.0
73.02951	11.2
73.16018	0.8
75.00881	100.0
76.01232	1.5
78.95901	3.1
81.03466	7.4
83.01389	2.1
83.79431	0.7
85.02949	8.1
87.00884	34.7
87.04532	1.2
89.02460	11.9
95.01393	1.2
96.96975	2.6
97.02952	4.4
98.22516	1.6
99.00893	18.3
99.04536	2.4
101.00828	0.7
101.02462	3.9
104.03525	1.0
105.01951	0.9
113.02468	3.2
117.01963	4.5
125.02470	5.4
127.90593	1.0
135.04485	1.1
135.39688	0.8
141.01929	1.5
143.03537	8.9
159.03000	1.2
161.04575	23.5
162.53221	0.8
177.03998	0.9
178.50356	1.0
179.00179	1.3
179.05627	64.5
180.05997	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	181.0508
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
59.01376	0.4
67.01902	1.1
88.11243	0.5
95.01402	1.7
96.09563	0.4
123.00903	18.4
124.01211	0.5
137.02437	0.9
151.00389	92.5
152.00725	3.6
165.01950	2.0
166.02731	100.0
167.03058	4.1
181.05093	11.1
182.05386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69211	0.3
59.01383	1.2
67.01901	0.9
69.03442	0.3
71.01385	1.0
73.02959	0.3
89.02440	0.5
91.08804	0.3
95.01398	1.3
97.02957	0.5
101.02468	0.7
123.00898	18.3
124.01240	0.8
137.02452	0.8
151.00386	90.6
152.00716	2.9
165.01967	2.5
166.02728	100.0
167.03061	4.5
181.05090	13.5
182.05376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
57.03463	0.4
59.01382	6.6
65.00333	0.7
67.01899	0.9
70.70703	0.3
71.01389	7.0
71.01788	0.4
73.02959	2.9
79.01901	0.5
79.95745	1.1
83.01411	0.6
84.38072	0.2
85.02956	1.2
87.00905	0.3
89.02451	3.7
93.03471	0.9
95.01373	1.5
95.05125	0.2
97.02958	0.2
101.02448	5.7
101.33904	0.2
109.02983	0.6
113.02469	0.8
118.66943	0.3
119.03495	0.6
122.03673	0.2
123.00892	17.9
124.01227	0.5
131.03529	0.4
136.01709	0.3
136.98827	0.3
137.02461	1.0
138.02061	0.3
138.03165	0.3
151.00383	90.8
152.00716	3.1
153.01878	0.3
153.03067	0.3
163.06209	0.5
165.01949	2.3
166.02725	100.0
167.03062	4.2
181.05080	12.4
181.07176	5.4
181.08640	0.4
181.93045	0.3
182.05353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0637
Annotation	Diisopropyl phosphate
Peak:m/z	Relative Intensity
51.53073	0.6
55.01878	0.7
59.01384	22.1
59.88386	0.5
61.98825	1.1
65.00326	1.0
67.01896	1.0
69.03454	1.4
70.18098	1.7
71.01390	26.9
73.02948	7.4
78.07550	0.6
78.95911	100.0
83.01398	2.2
85.02948	4.9
87.00874	0.6
87.86162	0.6
88.06208	0.7
89.02448	13.8
89.02956	1.2
91.04027	0.8
93.03473	3.5
96.96016	1.4
96.96987	1.8
97.02969	2.2
101.02453	16.9
102.02795	0.7
103.04000	0.7
106.99684	0.6
109.01682	0.6
109.02972	2.2
111.34835	0.7
113.02470	2.6
115.04025	1.4
117.42043	0.7
118.34664	0.6
119.03516	2.4
120.98960	0.7
121.02987	0.9
122.03800	0.6
123.00883	3.6
123.04546	1.0
129.57341	0.6
131.03520	1.1
135.04573	0.8
136.98819	1.4
137.02466	1.8
138.01987	1.2
138.03204	1.3
139.01675	40.7
149.04536	0.8
151.00380	9.6
163.06125	1.9
166.02728	14.4
167.03099	0.8
180.81369	0.9
180.85948	2.3
181.01422	1.0
181.07199	16.8
182.01041	0.9
202.47606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.072
Annotation	Dulcitol
Peak:m/z	Relative Intensity
55.01877	5.5
57.03445	3.6
58.00594	1.0
58.65475	0.9
59.01386	84.6
61.98836	10.8
69.03436	1.2
69.24808	3.9
69.25220	1.5
71.01387	95.0
72.01730	1.7
72.99327	1.3
73.02954	22.0
73.03362	1.3
78.95914	14.1
79.95750	2.0
80.96316	1.2
83.01398	10.5
84.01795	1.0
85.02956	16.1
87.00896	3.1
89.02456	57.9
91.04016	2.1
96.96008	0.9
96.96997	2.1
97.02957	4.9
98.97414	1.1
99.00857	1.4
99.13247	0.9
100.15284	0.9
101.02453	100.0
102.02786	2.3
106.24230	1.2
109.02999	1.1
112.05197	1.2
113.02468	9.7
115.04024	2.8
119.03513	11.9
120.05400	1.0
123.00884	1.0
131.03470	5.4
138.93776	1.6
138.94725	1.5
149.04556	3.2
151.00381	3.6
161.04543	2.0
163.06131	14.9
166.02745	5.3
180.95845	1.8
181.07201	67.6
182.07539	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	182.9936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	33.2
65.46849	0.4
65.93234	0.3
66.00681	0.7
67.01897	0.7
68.99823	0.6
69.61506	0.6
69.61863	0.8
79.95734	2.7
81.95338	0.8
83.01390	0.4
92.99828	6.5
95.01408	0.4
96.99323	11.7
102.83694	0.3
103.15184	0.4
108.99320	1.5
111.00894	9.9
111.91918	0.3
118.21650	0.3
120.99312	4.0
136.98824	19.8
137.99115	0.8
139.00423	1.9
147.42940	0.4
163.53568	0.3
164.98306	100.0
165.98642	3.9
167.99326	0.5
182.99342	8.4
194.06235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0049
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
51.02375	0.4
56.15831	0.3
64.01888	0.4
65.00309	0.5
67.01884	1.4
68.99817	0.6
69.03463	1.0
69.10139	1.4
69.10565	0.9
79.01892	0.7
95.00826	0.6
95.01398	9.1
97.02966	0.9
98.22617	0.6
108.04440	0.3
109.01712	8.3
111.00866	0.8
112.86135	0.3
113.39415	0.3
120.00891	0.3
123.00900	23.2
124.01235	0.9
125.01189	1.5
132.60391	0.3
136.37619	0.3
137.01204	7.4
137.02290	0.5
153.00697	20.2
154.01010	0.5
159.23120	0.3
167.99385	0.8
183.00485	100.0
183.10304	1.3
184.00867	3.4
184.06146	0.4
203.98930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.1
58.00666	0.2
59.01384	2.9
61.98837	0.3
71.01379	0.3
73.02959	0.9
76.32449	0.2
83.01405	1.3
101.02454	100.0
102.02791	1.9
102.05594	0.8
115.02514	0.4
140.02061	0.3
141.00420	1.2
157.03589	4.1
167.99399	0.2
170.21597	0.2
183.01546	1.4
183.02979	0.3
183.04626	0.2
184.01073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0664
Annotation	Antiarol
Peak:m/z	Relative Intensity
59.01368	1.6
67.01889	3.5
68.99823	1.1
69.03450	4.4
70.96227	1.6
81.03466	3.0
83.01387	1.5
89.54842	1.0
92.02692	1.3
93.03476	1.2
95.01331	0.9
97.02955	6.2
99.04537	1.2
99.79268	1.0
105.03458	1.5
105.10596	1.1
106.85912	0.8
107.01385	4.4
107.05045	1.5
108.02240	0.9
109.02950	1.4
111.00893	3.9
120.02135	1.6
121.02968	9.3
122.03755	19.3
123.00883	2.7
123.04509	2.0
124.01680	1.7
125.02443	15.8
129.77263	0.9
133.17728	1.0
135.00899	8.8
135.04503	1.8
136.05208	1.2
138.03238	4.1
139.00395	1.5
140.07140	1.1
149.02449	4.8
150.02161	0.9
150.03247	19.4
151.03735	0.9
153.01950	100.0
153.05576	31.6
154.02263	3.5
165.05479	1.3
167.99396	1.8
168.04292	99.5
169.04663	2.9
183.06628	98.0
184.06967	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	183.0777
Annotation	NSC 525602
Peak:m/z	Relative Intensity
57.08650	1.9
58.02981	29.6
59.01386	4.4
64.48391	1.7
68.99836	2.5
69.68613	5.8
70.02991	6.2
71.01403	2.3
72.04543	1.9
81.03473	2.6
82.03020	3.0
83.01399	5.2
83.05042	8.0
85.02946	3.1
85.04055	2.6
86.06120	4.1
87.05670	2.7
96.04568	30.3
97.04088	17.7
98.02488	14.5
98.06116	4.1
99.05650	100.0
101.02451	3.4
104.04507	1.8
108.04556	20.5
109.02959	2.0
109.04099	5.6
110.02507	3.3
111.00909	2.7
111.03230	2.5
112.04057	18.8
112.07705	28.7
113.03567	9.4
115.85731	1.9
124.01710	3.1
124.04060	16.9
125.03594	6.7
125.04818	15.8
126.04377	7.4
126.05669	9.0
127.05137	24.5
137.02452	2.3
137.07233	9.1
139.07765	2.2
139.08829	3.5
140.07198	37.5
153.01947	5.5
155.08287	37.4
165.01970	3.4
165.06732	21.9
166.05191	2.7
167.99359	4.7
168.00674	3.7
182.85956	4.3
183.03059	3.8
183.07805	48.9
183.10223	3.5
183.13965	3.8
184.08028	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	183.1393
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.56643	0.5
58.68068	0.5
59.01382	0.8
59.04220	0.5
60.35867	0.5
67.01889	1.0
69.07845	4.0
71.01374	0.5
76.15940	0.5
95.01411	0.7
96.60947	0.5
111.00896	2.0
124.01717	0.6
139.00409	1.1
153.93497	0.5
165.01921	0.7
167.99384	1.8
177.57918	0.6
182.99188	0.7
183.00549	1.8
183.13918	100.0
184.14304	4.4
204.70819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1392
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
67.01901	0.7
70.73936	0.9
71.01408	0.6
76.44935	0.5
89.75574	0.5
95.01393	0.7
104.49604	0.5
111.00907	1.3
136.26125	0.5
139.00314	1.2
167.99394	1.2
183.00546	1.1
183.03059	0.8
183.13919	100.0
184.14255	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.6
59.95160	4.8
69.60960	18.0
70.48666	5.1
71.70645	4.8
73.22797	4.7
75.70992	4.7
98.22633	10.4
111.12604	4.9
140.02045	43.3
141.99986	12.6
150.55225	5.4
161.84740	5.6
184.01025	100.0
185.01135	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	184.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82085	6.4
59.01394	26.9
59.30811	5.2
60.89332	5.4
61.98846	28.1
62.99775	4.8
69.68724	19.9
71.01376	25.0
73.02933	15.9
78.95916	26.4
90.78809	5.3
94.02990	22.8
98.02559	8.2
103.04031	23.6
107.63307	4.8
108.04552	5.7
112.04067	10.5
124.04037	11.2
136.04118	7.3
138.93852	5.0
139.04054	5.5
140.02084	42.8
140.07184	8.6
140.89697	5.1
141.09267	7.3
141.99988	21.0
142.05119	12.4
142.96680	7.3
157.03513	14.5
171.01514	30.4
173.03065	70.9
181.38029	5.5
183.93257	5.4
184.01050	100.0
184.06151	10.2
185.01169	9.5
185.03067	11.8
185.11790	8.0
191.06168	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	185.0609
Annotation	3,5-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
54.67577	0.2
55.01882	2.2
58.66795	0.3
65.00326	5.0
69.73318	0.6
73.93459	0.2
76.65862	0.2
98.22606	0.3
101.03970	4.7
117.03478	0.6
119.05040	2.1
133.00876	0.2
141.07079	0.3
143.05040	100.0
144.05379	4.5
145.02966	54.9
146.03307	2.2
157.06647	0.7
168.77431	0.2
185.06091	11.1
186.06364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01385	37.7
67.27872	0.7
70.66354	1.6
71.01395	4.2
71.05026	6.1
75.97949	0.7
87.04557	1.2
97.06611	1.3
111.08138	1.6
115.04025	100.0
116.04356	3.0
139.11311	3.9
141.09230	1.7
151.40048	0.8
167.10782	16.0
178.32707	0.7
183.10297	3.6
185.11853	71.7
186.12201	3.9
189.72618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1185
Annotation	[1S-(2-endo,3-exo)]-1-(hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptane-2,3-diol
Peak:m/z	Relative Intensity
53.57810	0.5
54.85874	0.5
57.28536	0.5
59.01396	2.9
60.09794	0.6
62.55615	0.6
70.26928	0.6
71.01405	0.6
83.05064	0.7
86.72529	0.5
125.87383	0.6
137.09772	1.0
139.11296	1.3
141.09189	0.9
149.09720	3.1
155.10799	39.4
156.11156	1.4
167.10794	34.2
168.11154	1.2
170.09227	0.5
183.10368	0.9
185.11850	100.0
186.12189	4.9
193.27841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98835	100.0
63.61725	0.2
66.87946	0.2
69.36440	1.1
80.23411	0.2
82.03017	0.3
89.19868	0.2
98.02522	0.2
98.22694	0.4
101.02443	2.6
104.03575	0.3
128.03560	0.4
131.08293	1.0
132.34668	0.2
159.01558	0.4
174.58159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.01
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67863	0.5
56.65466	0.6
59.01384	82.9
60.01723	0.5
61.98834	8.2
62.89075	0.5
68.99837	0.9
69.74090	1.7
71.01379	0.9
71.15796	0.5
82.03020	0.6
90.97164	1.0
97.06598	0.9
99.00887	1.6
100.07701	0.6
101.07243	0.6
103.72264	0.6
114.09279	0.8
115.02551	5.3
116.07201	1.5
117.00449	8.9
117.03446	0.6
125.02393	0.7
125.06127	0.9
125.09736	3.3
127.00418	3.1
130.08760	2.3
131.08281	20.2
132.98233	1.0
141.00471	0.6
142.08803	1.3
142.99516	0.7
143.02020	2.1
143.07141	0.9
144.97424	1.0
144.99966	1.8
159.01508	100.0
160.01642	7.5
163.08470	0.6
168.99962	0.8
176.13860	0.6
186.98480	1.0
187.01004	9.6
187.02524	2.2
187.03970	1.3
187.06229	1.0
187.09764	1.9
187.12128	0.8
188.00708	1.0
188.09235	1.3
208.42526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	80.7
60.01734	0.6
61.98832	8.6
66.56432	0.5
69.84377	0.6
69.84717	1.4
115.02530	4.7
117.00449	9.7
118.00478	0.6
125.09795	2.9
127.87054	4.1
141.00446	0.9
141.86816	5.0
142.89391	10.3
142.99457	0.7
143.02000	3.2
159.01506	100.0
159.87856	1.3
160.01631	7.9
166.50658	0.5
168.28767	0.5
168.30490	0.6
168.88951	0.7
168.99989	0.8
186.88379	2.2
187.00998	10.9
187.09787	1.5
188.00650	1.0
201.89960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0765
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
57.03437	1.6
67.68670	0.8
68.99837	1.0
69.31011	4.3
81.03462	8.5
83.01393	10.9
90.93417	0.8
99.00880	1.4
103.05561	1.9
103.51530	0.7
109.02948	4.8
110.51392	0.8
115.05499	1.3
117.03486	5.9
117.07113	1.2
125.09700	1.2
130.04259	3.8
143.05037	8.2
145.06606	42.1
146.07025	1.6
159.08224	1.0
169.06560	4.7
172.05309	100.0
173.05730	4.0
187.04060	1.5
187.07655	49.0
188.08003	3.1
208.68814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06156	1.4
81.03462	100.0
82.03811	2.4
83.01385	0.6
96.86941	0.4
98.21942	0.6
101.15737	0.4
103.38997	0.5
115.43419	0.5
130.04272	0.6
145.06609	12.4
146.06894	0.7
172.05405	2.9
187.07674	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	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03449	3.0
62.18221	0.3
64.72568	0.3
66.88435	0.3
68.49580	0.3
68.99805	0.4
69.03457	0.6
71.01381	0.4
80.69845	0.3
83.05024	0.4
95.05067	0.7
96.99344	0.5
97.06600	13.2
98.22824	0.4
101.84319	0.4
105.50101	0.3
108.41364	0.3
117.03429	0.7
123.08178	5.6
125.09737	100.0
126.10063	4.1
143.10783	1.6
169.08742	2.1
187.04021	1.5
187.09767	43.6
188.10139	1.3
202.09842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0196
Annotation	6-Formylumbelliferone
Peak:m/z	Relative Intensity
50.44220	0.3
59.01375	0.7
64.27828	0.3
66.94499	0.3
69.19810	1.7
71.26543	0.3
77.03976	0.4
78.95999	0.3
83.05048	0.4
87.78257	0.3
98.80281	0.3
100.29095	0.3
102.94918	0.3
104.89447	0.3
105.03485	6.2
106.03813	0.4
115.06650	0.4
117.03489	1.8
120.04579	0.8
121.02965	3.7
123.04567	1.4
127.00413	0.4
128.06546	0.3
145.02969	0.7
149.02473	0.8
160.01694	11.2
161.02464	100.0
162.02824	4.2
189.01924	8.2
189.05637	0.3
209.78096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0558
Annotation	Oospolactone
Peak:m/z	Relative Intensity
54.00845	0.7
59.01373	2.5
60.15423	0.7
65.00318	1.3
68.99824	9.8
69.08448	4.0
71.01376	0.8
79.95746	15.4
83.01392	67.7
83.05015	0.8
84.01707	1.1
98.22735	1.5
106.07278	0.8
115.05579	0.8
117.03476	2.3
117.48788	0.7
119.05039	30.5
120.04565	1.3
120.05378	1.6
129.05620	1.0
133.02946	0.8
133.06613	1.8
136.98828	1.3
143.05019	1.9
145.02943	4.2
145.06581	5.3
147.04533	50.5
148.04904	1.9
155.76410	0.7
161.02422	1.4
161.06148	1.4
164.03476	0.9
164.90829	0.8
164.98331	2.2
171.04515	2.7
182.72939	0.8
189.01944	2.9
189.05580	100.0
190.05988	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	189.0558
Annotation	2,5-Dimethyl-7-hydroxychromone
Peak:m/z	Relative Intensity
59.01389	1.4
59.01641	0.3
65.00328	1.4
66.70386	0.3
69.25195	1.6
72.70244	0.3
76.16318	0.3
79.95740	23.1
85.00237	0.3
89.17152	0.3
91.05537	12.2
92.05852	0.3
96.99313	0.3
98.00094	0.5
98.22719	0.5
101.03967	0.3
111.00888	0.4
115.05549	0.9
117.03476	16.3
118.03809	0.8
119.05011	1.6
131.05029	2.2
133.02989	0.5
133.06602	23.8
134.06947	0.8
135.04523	0.4
136.98802	0.8
143.05017	0.5
145.79153	0.3
147.04527	0.6
152.01178	0.3
161.06081	6.3
162.06418	0.4
164.98311	1.2
171.04543	1.0
189.05579	100.0
190.05922	5.3
193.79266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0558
Annotation	5-Hydroxy-2,7-dimethyl-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01385	0.4
68.99825	10.1
83.01393	73.3
83.05068	0.5
84.01726	1.4
117.03485	1.0
119.05038	29.1
120.04586	0.7
120.05367	1.1
127.05535	0.5
133.06642	0.8
134.06253	0.5
143.05078	0.6
145.02966	3.1
145.06593	4.3
147.04533	53.0
148.04878	2.0
161.06114	0.9
171.04492	1.0
189.05583	100.0
190.05946	4.6
191.06645	0.5
199.73846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16324	1.0
51.76450	1.1
52.07217	1.1
53.02061	1.1
61.98829	1.4
68.99837	1.8
69.13538	7.2
71.05037	1.6
73.02959	4.7
85.06602	70.9
95.05055	2.8
99.00893	3.0
101.36914	1.2
113.06100	10.7
115.04027	100.0
116.04337	2.4
119.05087	1.2
120.04591	1.9
125.36040	1.3
127.00383	10.1
127.07669	3.3
133.69470	1.3
139.04022	10.8
145.02992	1.5
171.06633	5.9
189.03181	2.2
208.62798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.077
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03455	2.5
59.01385	2.9
69.43354	1.1
83.05029	0.9
85.02979	0.5
85.06616	0.9
99.08169	23.9
100.08496	0.6
101.06059	0.6
104.39485	0.4
120.04552	0.8
127.07671	26.8
128.08003	1.1
129.05595	100.0
130.05888	2.4
143.07257	0.4
145.08714	3.7
161.07234	1.8
171.06657	5.2
171.11946	0.3
189.07719	35.9
189.11278	0.9
190.08047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	0.4
57.03454	7.1
59.01391	1.3
67.01895	4.3
70.82374	0.4
71.01384	1.2
72.99306	1.2
73.02958	0.4
80.41707	0.2
83.01388	0.4
85.02956	32.1
86.03292	0.7
86.07206	0.2
87.00882	49.3
88.01220	0.7
99.00888	2.2
101.02438	0.5
103.04061	0.5
111.00889	100.0
112.01222	2.7
112.98813	1.0
113.29306	0.2
115.00387	0.7
117.01932	0.8
121.78908	0.2
129.01955	6.3
130.99861	0.7
133.01476	1.5
134.22592	0.2
135.45184	0.2
147.02998	0.4
154.99889	0.5
164.63913	0.2
173.00926	1.9
173.04527	0.3
181.17744	0.2
191.01987	9.2
191.05652	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	191.0201
Annotation	Citric acid
Peak:m/z	Relative Intensity
54.34052	0.4
57.03455	7.4
59.01373	0.6
67.01881	3.3
70.27013	1.1
71.01381	1.3
78.95924	0.7
85.02960	30.6
86.03323	0.7
87.00887	46.7
88.01210	0.9
98.21935	0.6
99.00897	0.7
111.00896	100.0
112.01231	2.8
112.98806	1.9
121.52881	0.5
129.01950	6.0
130.99879	0.7
131.21262	0.4
147.03032	0.6
154.99872	0.8
173.00948	1.4
191.01994	10.4
191.05679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03442	0.6
67.01892	0.3
68.99798	0.2
69.22038	0.9
76.17572	0.2
77.03985	0.4
85.02957	2.8
87.00886	3.0
91.01927	0.3
93.03458	0.6
111.00899	7.0
118.99337	0.3
119.05055	1.4
121.02972	100.0
122.03315	3.1
129.01927	0.4
136.78473	0.2
147.04532	6.1
147.05652	0.4
163.00417	0.4
163.04031	0.4
176.01163	0.3
191.01935	0.7
191.03554	5.2
191.05630	2.4
191.07150	0.4
191.10735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0355
Annotation	3-Deoxy-arabino-hexaric acid
Peak:m/z	Relative Intensity
55.01877	3.0
56.99807	0.4
57.03452	7.0
58.00600	0.9
59.01384	100.0
60.01720	1.3
67.01904	1.6
68.99825	0.5
69.03474	2.0
70.40995	0.9
71.01387	55.6
72.01691	0.5
72.99315	98.8
73.02952	37.3
73.99660	1.5
74.03279	0.5
75.00889	2.6
83.01395	5.1
84.02189	1.7
85.02957	62.6
86.03317	1.1
87.00885	1.4
89.02451	18.7
95.01395	12.3
96.99325	0.4
99.00902	3.9
101.02451	27.8
102.02773	0.5
103.00382	20.5
103.04028	0.8
103.18399	0.4
113.02459	76.8
114.02790	2.2
115.00382	1.7
128.94244	0.4
129.01952	1.3
131.03516	10.8
133.01442	5.9
157.01407	4.2
163.02472	1.4
175.02469	1.7
191.96075	0.5
193.03535	9.3
194.03806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Scytalone
Peak:m/z	Relative Intensity
58.44245	0.3
59.01371	0.4
59.12354	0.3
63.09024	0.3
69.70145	0.3
69.70485	0.9
71.01389	0.4
72.99329	0.6
73.02952	6.7
85.02979	0.5
92.02678	0.9
93.03474	2.4
95.52911	0.3
98.21932	0.5
101.02464	0.3
108.02282	0.3
111.52336	0.3
113.02444	0.5
117.03481	100.0
118.03809	3.9
120.63226	0.3
123.04512	0.3
134.03749	0.9
136.01712	1.1
151.04025	3.1
161.02444	2.8
178.02724	0.8
179.03575	1.0
192.18100	0.3
193.05083	19.7
194.05466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01882	0.5
56.62045	0.4
57.03466	0.6
59.01381	5.6
64.50213	0.3
69.03471	0.5
71.01384	4.8
71.41495	0.5
72.99313	5.0
73.02942	2.6
74.16425	0.4
83.01405	0.8
85.02957	4.5
87.00882	1.7
89.02448	1.6
93.03473	2.2
93.09472	0.4
95.01395	1.2
95.05017	0.6
97.02991	0.6
99.00883	0.6
101.02455	3.7
103.00388	0.9
105.03533	0.4
108.02171	2.1
109.02947	0.7
110.80342	0.4
111.00885	0.7
111.19495	0.4
113.02454	3.6
120.46394	0.4
121.02965	3.4
122.03743	1.3
123.00894	1.1
123.04568	0.8
125.02412	0.5
128.99245	0.5
131.03493	0.9
132.02194	0.7
133.02951	1.2
134.03755	8.0
136.01646	0.7
137.02487	1.9
139.04082	0.4
149.02444	4.1
149.06117	2.1
149.09743	0.9
150.03250	5.9
150.94788	1.3
151.04024	3.6
161.02449	2.3
165.01849	0.4
175.03957	0.4
176.02126	0.4
177.01949	10.9
178.02725	100.0
179.03415	6.4
192.95506	2.2
193.01360	3.8
193.05070	20.3
193.06976	1.1
193.08623	0.8
194.05649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0871
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.06800	0.1
57.03453	0.1
59.01380	0.4
59.80698	0.1
62.02385	0.1
65.00327	0.2
65.03970	0.2
66.01118	0.1
69.37725	0.5
71.01398	0.4
72.99319	0.3
73.02969	0.3
85.02981	0.2
89.02473	0.2
95.01396	0.2
101.02459	0.2
106.25095	0.1
107.05022	0.8
109.02976	0.3
113.02467	0.3
117.03482	1.1
121.02946	0.2
133.02875	0.1
134.03766	0.7
135.04541	31.3
135.65553	0.1
136.01607	0.1
136.04872	1.0
137.02557	0.2
149.06091	0.6
161.02446	0.1
163.04027	100.0
164.03055	0.2
164.04367	3.8
177.05612	0.3
178.06371	48.9
179.02240	0.2
179.06697	2.1
193.05164	0.7
193.08719	5.5
194.04614	0.1
194.08968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9933
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99539	3.6
65.00332	0.8
68.99820	25.1
69.24539	0.8
69.45467	0.2
70.00161	0.4
79.95747	0.4
79.99049	0.3
92.99825	13.4
94.00169	0.3
98.22613	0.4
99.00885	100.0
100.01225	1.4
107.01526	0.2
109.02870	0.2
123.00893	79.6
124.01216	2.1
150.03232	0.2
152.91792	0.2
166.99847	0.4
194.99353	20.4
195.13937	0.2
195.99667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0512
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03452	5.4
59.01383	33.7
60.01714	1.1
61.01802	1.0
61.98831	2.8
70.68374	0.7
70.78912	1.5
71.01389	17.2
72.99316	7.0
73.02941	1.7
74.99743	1.9
75.00878	100.0
78.95913	3.0
80.96524	4.2
83.01395	2.8
85.02960	11.7
87.00883	36.0
87.03427	0.8
89.02457	10.3
96.96993	3.9
99.00890	15.8
99.93241	0.9
101.02429	4.2
103.00417	0.9
105.01943	26.6
107.01736	2.1
111.00888	4.2
113.02479	1.8
115.02897	1.1
117.01923	1.0
129.01956	41.4
130.02220	1.1
131.03482	0.8
141.01936	2.3
147.03018	10.3
159.03011	7.2
160.03267	0.7
173.23340	0.7
177.04054	11.7
193.46454	0.8
195.03644	2.4
195.05110	66.7
196.05559	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	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.48720	0.2
56.03014	0.2
60.64737	0.2
61.98837	0.2
69.25185	1.4
70.09424	0.2
99.08122	0.2
109.06602	3.9
111.08162	3.2
112.08534	0.2
122.03738	0.4
125.09752	1.0
135.11829	0.5
138.06856	3.2
139.07533	0.3
144.68425	0.2
151.11276	0.8
152.91762	0.5
160.84190	0.9
167.14426	7.0
168.14783	0.3
179.10783	5.0
180.02690	0.3
180.04335	0.3
180.11362	0.4
195.13908	100.0
195.81097	0.4
196.14253	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	197.0207
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
61.98813	0.4
63.52878	0.3
64.01922	0.7
65.00336	0.6
65.03954	1.5
65.99857	0.6
68.99825	0.5
69.30380	1.0
69.30782	0.9
78.95852	0.6
81.03463	0.6
93.03469	0.7
95.01397	1.5
95.44636	0.4
96.79877	0.4
98.21902	0.7
109.02230	0.8
109.02963	13.0
110.02528	0.5
110.03279	0.4
116.92893	0.7
121.02965	1.9
122.02475	1.0
123.00903	4.0
123.03293	2.5
125.02463	0.7
126.90536	1.2
135.04565	0.5
137.02461	20.0
138.01953	1.3
138.03088	0.7
140.03551	4.0
150.01994	4.3
151.02734	1.4
153.01862	0.4
153.05592	1.0
153.09216	0.4
153.12819	0.7
160.84233	0.9
161.84297	0.4
162.83948	3.5
166.01498	0.9
167.00026	2.2
167.02254	9.5
167.99396	3.3
180.01787	15.9
180.85875	0.4
182.02205	5.6
183.01663	3.5
196.89543	0.5
197.02057	100.0
197.11742	1.8
197.80771	0.8
197.90874	0.4
198.02449	2.8
198.04152	0.6
199.01187	0.4
202.47641	0.4
212.00746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.041
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96425	0.6
72.98116	0.2
72.99322	0.7
73.77500	0.2
78.95934	0.6
94.93639	100.0
95.01407	0.8
95.93557	0.3
103.11726	0.2
109.06606	0.4
121.02985	0.8
123.00914	3.5
123.04543	0.5
126.90546	0.5
135.04515	0.4
135.08125	0.3
138.03250	0.7
153.01971	0.3
153.05597	0.4
153.09207	0.5
154.99402	23.9
155.99731	0.6
160.12617	0.2
162.84018	0.4
165.00446	0.6
166.99875	2.3
167.99393	1.2
182.02243	4.8
183.01698	1.6
196.89526	0.4
197.04105	21.6
197.11856	0.6
197.15678	0.2
198.04321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87267	0.5
59.01369	0.8
61.98830	4.6
65.00311	0.4
69.25818	0.5
70.89771	0.7
72.99329	0.6
78.95915	100.0
80.96512	1.4
85.02946	0.7
95.01394	2.1
96.96033	1.9
109.02969	0.8
116.92886	0.8
121.02982	2.7
122.98540	5.5
123.00906	8.6
124.07700	2.0
125.02449	0.5
126.90467	0.8
136.07700	1.2
137.02502	0.6
138.03227	2.3
140.99612	40.7
153.02071	0.9
153.03285	3.8
153.05615	1.3
153.09235	0.6
154.91341	0.7
160.84236	5.4
161.84293	0.8
162.83939	18.0
166.99870	5.9
167.99471	2.0
169.90034	0.6
179.03809	0.9
180.06761	1.4
182.00684	0.5
182.02232	12.7
183.01688	3.5
196.89543	1.6
197.05943	25.7
197.11772	1.0
197.80814	10.3
198.04123	1.0
198.06236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0607
Annotation	1,2-Dihydroxyfluorene
Peak:m/z	Relative Intensity
65.00325	9.7
66.00641	0.3
67.01891	0.8
68.99815	1.3
71.41230	0.3
71.88168	0.3
77.71907	0.3
78.93071	0.3
79.01888	0.3
79.95731	1.0
84.80509	0.3
85.22876	0.3
86.14315	0.2
91.01897	0.5
95.01389	0.4
101.03974	1.1
115.05566	1.3
117.03473	5.5
123.00845	0.3
127.05576	3.0
139.05553	0.8
141.07109	6.1
143.05020	1.0
145.06560	0.3
151.05531	2.7
152.06305	0.6
153.07097	0.7
155.05043	1.1
159.97371	0.3
167.05037	0.6
169.06595	13.2
170.06862	0.5
171.04515	0.8
182.02286	0.8
195.04512	0.8
196.05284	1.8
197.06084	100.0
198.06427	5.8
209.80130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.67685	0.6
53.08947	0.6
53.92300	0.6
59.01378	1.2
61.98841	1.3
66.82261	0.6
69.03463	2.0
69.82772	2.6
73.36408	0.6
83.01358	0.7
83.05038	1.2
95.01363	1.2
97.02982	0.7
98.22567	1.4
107.06208	0.9
109.02951	1.2
112.01672	0.9
116.92877	2.4
123.00902	5.0
125.02415	0.8
125.09693	0.8
126.90495	2.5
133.06514	1.0
138.03242	2.0
151.11285	0.9
153.05553	1.2
153.09215	1.2
153.12877	3.6
160.84222	11.8
161.84236	1.8
161.88586	0.8
162.83932	30.6
166.99873	2.8
167.99376	6.5
169.01343	0.6
169.12357	19.7
174.69695	0.8
178.99825	0.8
179.10762	2.3
180.86099	0.7
182.02245	6.1
183.01733	7.3
197.02655	2.2
197.04587	1.6
197.11844	100.0
197.80818	11.4
198.04088	1.0
198.12152	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.61278	0.4
60.77764	0.4
65.00326	0.8
68.99780	0.4
69.03446	0.8
69.17788	2.2
71.05022	1.6
78.95926	0.5
95.01424	1.1
95.05050	0.6
97.06602	13.3
98.22639	0.6
99.08154	3.9
107.06137	0.5
109.02944	1.1
109.06576	0.5
112.01672	0.5
113.25658	0.3
116.92892	1.0
121.02974	1.3
122.03787	1.8
123.00899	3.4
123.04545	0.6
125.02444	0.9
125.09724	0.9
126.03242	1.2
126.90501	1.2
137.02499	0.8
137.09740	1.9
138.03224	0.8
138.04201	0.4
138.98976	0.3
151.11307	1.3
153.01955	0.7
153.05623	0.8
153.12869	100.0
154.13225	3.9
160.84251	1.7
162.83940	3.6
166.99870	2.7
167.99390	3.7
178.99936	0.5
179.10797	21.2
180.11038	0.6
182.00627	0.6
182.02209	6.2
183.01726	3.7
197.02058	2.0
197.04561	1.5
197.06187	0.4
197.08086	0.5
197.11839	8.2
197.15483	1.3
197.80763	1.9
198.04132	0.7
207.04276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
59.01383	0.6
60.16071	0.4
61.93777	0.4
67.01903	0.8
69.03432	0.5
69.17758	2.5
71.05007	0.4
79.95731	2.6
83.01377	0.6
83.05019	0.9
92.99828	0.6
95.95258	1.2
96.96023	2.7
98.21825	0.5
99.00880	0.6
104.01481	0.4
111.00899	0.8
127.00417	0.8
127.93185	2.5
137.08748	0.7
137.09740	7.9
139.93188	0.4
154.95540	2.6
154.99873	0.4
155.10797	100.0
156.11140	3.5
171.04533	0.4
176.11661	0.3
180.97858	0.5
181.08679	1.2
184.02002	0.5
199.04118	1.2
199.09776	8.0
199.13402	1.5
199.17090	1.0
200.01324	0.6
200.07829	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	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01722	0.9
66.70116	0.3
69.22178	1.0
69.22585	0.5
73.05338	0.2
113.04642	0.3
115.02541	0.3
144.65697	0.3
157.03574	5.4
159.01503	1.8
175.48456	0.2
201.02553	9.7
202.02765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.4
59.01384	100.0
60.01715	0.8
60.58398	0.3
61.98849	0.5
65.99187	0.3
66.03485	0.4
68.49374	0.3
69.96005	0.7
69.96375	0.6
72.04563	0.6
82.03008	1.1
82.94622	0.8
83.03343	0.7
88.04051	12.4
88.04597	0.7
98.02446	0.4
98.21909	0.4
103.04038	0.9
108.90276	0.7
110.02515	1.0
111.02812	1.5
112.08786	0.5
114.05642	0.5
115.03394	0.3
115.08822	0.4
126.93604	0.3
129.10378	1.1
157.03584	5.7
157.13469	2.6
158.08276	0.5
159.01534	2.1
183.11348	0.3
186.26517	0.4
201.00789	0.5
201.02556	9.9
201.12465	10.0
202.02797	0.9
202.07230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08357	0.3
59.01384	100.0
60.01719	1.0
71.01979	0.6
76.68440	0.3
77.29130	0.3
113.04588	0.5
150.08522	0.4
157.02371	0.5
157.03580	5.5
158.03679	0.4
159.01523	2.1
201.02556	10.0
202.02699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0558
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
56.11692	0.2
59.01379	2.8
61.53563	0.2
63.75853	0.2
83.01392	1.4
108.02181	100.0
109.02510	2.2
115.05568	0.3
117.03468	3.0
129.07104	0.3
135.04550	0.5
145.02942	0.4
145.06581	0.6
147.04475	0.4
157.02956	0.2
157.06596	0.6
159.04539	2.0
173.02444	0.8
173.06070	2.0
194.07939	0.2
200.04858	1.2
201.05585	28.2
202.05937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.056
Annotation	Frustulosin
Peak:m/z	Relative Intensity
56.77406	0.2
59.01384	1.5
60.98935	0.2
69.22594	0.4
69.23006	1.0
74.28506	0.2
77.93165	0.2
80.35973	0.2
81.03465	0.5
82.36441	0.3
85.66382	0.2
93.03481	0.7
107.01398	0.6
116.02738	1.6
117.03481	100.0
118.03811	3.1
131.05032	0.5
145.06580	1.4
157.06621	0.8
158.03749	1.5
159.04543	2.5
171.04419	0.3
173.06091	18.5
174.06476	1.1
186.03285	0.6
201.05592	36.9
202.05937	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	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03436	1.1
58.00600	2.4
59.01389	2.8
59.01651	0.5
62.85560	0.3
73.02946	0.5
80.07157	0.3
97.06564	0.4
99.92591	0.5
103.99774	0.3
117.03483	0.5
125.09740	6.6
127.11306	12.0
137.09714	1.6
139.11292	1.4
141.93201	0.4
145.02867	0.3
153.09225	0.4
155.10805	4.4
156.11182	0.4
157.12401	0.8
165.09216	4.2
171.10303	4.4
183.10283	1.6
199.09787	3.7
201.11342	100.0
202.11678	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	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
59.01383	100.0
60.01704	0.7
62.43392	0.4
63.93365	0.4
70.28043	0.4
71.01369	0.4
75.18759	0.4
97.06609	0.9
98.49935	0.4
99.92622	0.6
111.08154	2.2
117.03455	2.5
127.96386	0.4
133.20100	0.4
141.09258	0.5
141.93610	0.7
157.03572	0.9
158.03702	0.5
159.01433	0.4
173.02423	0.6
183.10313	0.9
201.02600	2.3
201.05519	1.9
201.11319	15.6
202.11600	0.8
210.21457	0.4
223.80632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09181	0.4
57.03457	0.6
59.01383	16.4
69.38494	1.4
69.38908	0.9
71.01373	0.5
83.01398	4.0
93.03461	1.0
97.02951	0.7
100.32430	0.4
100.71098	0.5
100.92601	0.5
103.92041	0.5
104.97751	0.6
116.05074	0.5
117.03448	1.4
119.05038	100.0
120.05356	2.9
121.03005	0.6
130.75494	0.5
130.94402	1.0
131.05058	1.4
132.98186	0.9
133.03018	0.5
135.04523	0.5
141.09317	0.6
142.93623	0.6
143.05045	0.8
143.07152	0.7
145.02965	1.3
147.04547	2.0
158.03702	0.8
159.03320	0.8
159.04533	2.5
159.08160	1.1
160.97693	1.9
160.98912	0.5
161.06108	3.5
174.99261	5.0
175.04053	2.3
187.04047	1.1
188.04823	1.2
202.98741	1.8
203.03682	3.6
203.07176	5.1
203.08981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.9
61.98827	0.4
64.44381	0.2
69.62820	0.8
81.16081	0.2
83.01392	3.1
93.03477	0.4
97.02959	0.2
98.22713	0.2
102.01431	0.2
104.97776	0.4
105.12778	0.2
117.03458	1.0
118.96664	0.3
119.05038	100.0
120.05365	2.8
128.04108	0.2
132.98163	0.7
142.93726	0.3
143.92778	0.3
145.02953	3.3
160.97710	1.7
161.06088	1.2
161.97144	0.3
174.99263	4.0
202.94173	0.5
202.98639	1.3
203.03514	0.3
203.07114	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
58.03799	1.2
59.01387	13.5
61.98829	0.6
68.99812	1.0
83.01389	1.1
86.08323	0.6
99.92600	1.1
100.92626	1.3
104.97746	1.7
109.10874	0.7
117.03487	3.6
119.05036	96.3
120.05383	3.3
127.88017	0.7
132.98204	1.9
133.06561	3.2
135.04549	1.3
142.93690	1.7
145.02927	0.8
147.04543	1.2
147.08133	0.9
148.76006	0.7
159.04489	1.2
160.97647	3.6
161.06104	18.4
171.04492	1.8
174.99292	8.4
175.07741	1.0
188.04820	1.0
202.94180	1.2
202.98734	2.8
203.03496	2.0
203.07112	3.8
203.98283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0828
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
52.38021	0.6
55.20132	0.6
59.01377	1.9
70.83339	0.8
72.00917	18.0
74.02476	35.6
84.89361	0.6
116.05073	100.0
117.05405	2.4
129.05844	1.0
130.06642	2.7
132.08243	0.7
142.06641	26.6
142.07765	1.3
143.06985	1.1
159.09279	14.8
159.10544	1.1
186.05624	3.7
203.08269	46.8
204.08536	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	204.0879
Annotation	N-Acetyl-L-rhamnosamine
Peak:m/z	Relative Intensity
55.01895	1.3
57.03450	4.2
58.02982	36.8
59.01384	14.7
61.98838	5.3
62.96404	1.1
69.03455	4.5
70.37578	1.6
70.37897	1.0
71.01388	12.6
71.05026	1.3
72.04559	1.5
72.99309	8.0
73.02940	3.5
74.02494	1.2
75.00886	4.8
82.02976	1.3
83.01411	2.2
83.05023	1.0
84.04569	4.7
85.02958	19.6
87.00882	8.0
88.04047	5.1
89.02480	1.1
96.04606	1.0
96.99316	1.3
97.06590	1.4
98.02453	2.2
98.06123	8.6
99.00896	6.3
99.04523	1.7
100.04060	18.2
100.07696	1.6
101.02465	3.9
102.05615	1.1
103.00390	1.2
108.04557	2.9
110.06163	2.2
110.94114	1.2
111.00891	6.8
112.98809	5.8
114.05625	4.1
114.09257	4.6
115.00385	10.2
116.07194	24.5
117.01977	1.4
124.07687	4.3
124.98833	1.9
125.02461	7.3
127.00448	1.5
128.03572	7.8
128.07199	3.2
129.01952	2.0
130.08742	3.5
131.04662	2.0
132.06696	3.9
138.05644	5.5
140.06210	1.7
140.07214	24.9
142.08698	1.5
142.99864	2.5
143.07143	2.6
144.06645	2.3
145.01450	2.8
145.05063	2.7
145.06187	1.3
154.99883	2.0
158.08250	50.1
160.04097	2.1
162.07721	4.9
168.06706	3.5
186.07742	22.6
202.07269	2.7
204.08792	100.0
205.03537	1.8
205.09119	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	204.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03461	3.6
58.02980	34.3
59.01384	13.1
60.01720	0.6
60.82281	0.5
61.98838	15.0
62.96413	0.9
66.03490	0.5
68.05058	0.8
68.99809	1.2
69.03458	4.4
70.02972	0.7
71.01386	12.7
71.05022	0.7
71.40747	0.6
72.04550	2.2
72.99316	7.2
73.02937	1.1
74.02474	0.5
75.00874	4.2
82.03008	1.2
82.40342	0.5
83.01389	2.4
83.05038	0.9
83.27572	0.5
84.04549	5.1
85.02958	18.2
86.06126	1.5
87.00876	5.8
88.04018	0.8
89.02445	0.7
96.75656	0.5
96.99294	1.0
97.02958	2.0
98.02463	1.4
98.03244	0.6
98.06126	6.6
99.00900	4.8
99.04536	0.7
100.04057	17.3
100.07697	1.8
101.02452	1.6
102.05588	0.5
103.00426	0.9
108.04549	2.6
109.02993	0.5
110.06124	2.3
110.94108	1.6
111.00912	3.4
112.07693	0.8
112.98828	3.4
114.05640	5.2
114.09251	3.9
115.00384	10.2
115.04025	0.9
116.07184	19.7
117.01916	1.0
122.02497	10.9
122.84295	0.5
124.07700	4.8
124.98809	1.5
125.02438	2.2
127.00420	0.9
128.03545	2.3
128.07178	2.6
129.01984	0.9
130.08752	11.7
138.05588	4.0
140.07193	23.0
142.08736	2.2
142.99878	1.4
144.06654	2.0
145.01414	2.3
145.06235	0.7
146.04485	0.5
154.99879	2.2
158.08240	48.4
159.08572	1.2
162.07767	4.9
168.06682	3.8
174.09653	0.6
175.02417	0.7
186.07732	23.3
202.07245	2.2
204.08780	100.0
205.03540	1.0
205.09073	3.5
205.15962	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.9935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97569	100.0
59.01365	2.1
61.98835	1.4
69.52333	3.4
71.01395	1.6
90.94333	1.2
98.89522	1.0
110.94109	8.0
113.88396	1.3
115.00375	1.6
117.03477	1.9
133.02985	2.0
142.67708	1.1
161.02525	2.8
204.92319	2.6
205.01411	2.5
205.15958	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	3.2
55.01884	9.3
57.03449	3.1
58.02977	10.1
59.01386	76.0
61.98835	45.6
67.01889	1.8
68.99816	6.3
70.02991	2.3
70.53622	4.0
71.01390	68.7
71.02510	2.5
72.00919	2.4
72.99314	26.9
73.02957	14.8
73.99683	1.8
74.02473	6.3
75.00878	27.5
83.01383	14.7
83.05047	2.9
84.04559	5.9
85.02950	10.3
87.00883	36.7
89.02438	8.1
93.23150	1.7
96.99323	6.7
99.00886	46.6
99.04534	3.5
100.98775	2.2
101.02444	12.7
101.04429	2.2
101.07146	2.7
103.00343	5.5
104.03544	5.4
109.04104	8.8
109.44563	2.0
110.94099	3.2
111.00892	27.9
112.98076	3.7
112.98824	47.8
113.03585	14.4
114.01970	10.3
115.00382	68.0
117.01991	10.8
118.03329	3.8
124.03814	1.8
124.98804	10.5
125.02457	13.1
125.03281	1.9
127.00420	10.5
127.01206	1.7
127.05154	28.7
128.03557	10.8
129.01958	12.6
129.03981	1.7
131.04642	26.1
133.01430	2.2
139.58156	1.8
141.07547	3.6
142.33540	1.7
142.99879	15.7
143.03616	2.3
143.07137	10.6
145.01456	18.3
145.05116	8.3
145.06195	100.0
147.06622	2.2
154.99901	11.7
157.01508	2.6
171.68355	2.1
173.00931	5.5
175.02472	8.0
186.21953	1.7
187.02504	3.0
187.06163	2.1
187.07973	2.5
187.97884	3.3
196.82285	1.9
205.01740	5.5
205.03574	6.7
205.07292	4.1
205.09096	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	205.1235
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
59.01377	1.7
60.05460	0.7
62.95740	0.7
64.12272	0.7
71.01401	1.7
71.42183	0.8
72.99352	0.7
74.96431	3.1
78.95914	1.5
79.08812	0.6
79.95747	8.1
80.96507	2.3
85.02937	0.9
85.82483	0.7
87.00845	0.7
93.07101	2.5
110.94112	26.4
115.00388	1.6
117.03475	4.1
123.04552	1.2
123.08115	0.9
124.98813	1.1
133.02968	6.0
133.06630	0.9
133.10188	0.9
135.08177	0.9
135.11772	1.5
143.05023	0.9
145.10318	1.3
146.03773	2.1
149.06114	1.0
160.05336	0.9
161.02452	2.9
161.06110	23.9
161.09753	1.8
168.94662	2.2
171.08176	1.0
175.07664	24.9
176.08072	1.5
177.12872	23.0
178.06374	7.5
184.86327	0.8
187.11270	2.2
188.08438	0.8
189.09225	5.5
190.10031	27.8
191.10365	1.4
204.92328	7.6
205.01436	3.1
205.09044	6.3
205.12352	100.0
205.15843	3.1
206.12697	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	206.0825
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
57.44632	0.7
58.02982	38.9
70.02984	14.4
70.56832	1.2
71.13979	0.7
72.00909	5.5
78.89108	0.6
78.95930	1.4
85.54156	0.7
91.05540	30.1
95.61006	0.8
103.05565	2.1
112.93816	2.4
135.04532	1.5
141.98282	0.7
147.04538	39.6
148.04868	1.3
162.09215	0.9
164.07179	100.0
165.07529	3.9
206.08234	34.1
207.08481	1.0
225.06633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	37.6
59.01379	0.4
69.43069	1.2
69.43467	0.6
70.02983	12.9
72.00919	6.6
74.96429	1.6
76.96136	0.6
78.95915	7.9
83.87049	0.5
91.05543	25.1
96.96953	0.6
110.94109	0.8
111.94449	1.3
112.93825	15.4
112.94611	0.9
135.04526	1.2
136.04033	0.4
147.04539	39.3
148.04877	1.6
162.09274	1.4
163.00354	0.5
164.07178	100.0
165.07535	3.2
168.94656	0.6
170.94374	0.6
177.01942	2.4
192.04276	2.0
205.92737	0.9
206.08228	29.9
206.91991	4.2
207.07967	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	207.0123
Annotation	2-Naphthalenesulfonic acid
Peak:m/z	Relative Intensity
60.86478	0.3
69.37557	0.9
69.37967	0.6
74.96436	0.4
76.96154	0.6
78.95917	3.1
79.95744	22.1
80.96546	0.3
82.01746	0.4
91.01907	0.3
112.93833	8.1
143.05046	31.6
144.05411	1.4
156.63994	0.3
168.94669	0.3
177.01985	0.7
192.04269	0.4
206.92056	2.4
207.01231	100.0
208.01526	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	207.0512
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
55.01690	0.7
55.01886	7.8
56.27553	0.8
57.03455	17.8
59.01385	12.4
67.01892	1.9
68.99815	3.2
71.01386	12.2
71.28745	0.9
72.99315	3.4
73.02939	1.6
73.91099	1.0
75.00880	100.0
83.01392	6.5
84.02163	2.2
85.02962	83.1
86.00097	3.4
86.03260	1.6
87.00893	3.3
88.01677	3.0
89.02466	2.0
95.01402	10.8
99.00888	4.2
101.02464	1.9
101.04845	0.9
111.00904	0.9
113.02466	21.5
114.83637	0.9
115.00394	1.2
117.01972	5.0
129.02010	4.3
145.05104	11.0
147.03035	9.5
153.84561	1.0
157.01437	3.5
160.05223	0.9
175.54436	1.0
189.04082	10.9
205.83028	0.9
207.05116	61.2
208.05397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.63845	0.4
65.00346	0.7
66.12813	0.5
67.03024	0.6
67.21370	0.5
70.06554	1.4
74.96422	0.8
75.72624	0.4
77.03967	0.8
77.30850	0.5
77.99378	0.5
78.95910	7.8
82.01748	2.7
88.67608	0.5
91.01894	0.6
93.03467	3.4
95.05048	3.4
105.03470	1.3
108.02168	1.2
112.93830	10.4
121.02973	6.1
123.04543	6.9
131.13261	0.6
134.03706	0.5
135.00867	0.6
135.04486	0.6
136.01660	0.6
137.02504	0.4
148.09677	0.5
149.02460	21.9
150.02774	0.5
155.13527	0.5
163.00450	0.5
163.04001	2.1
164.01135	0.5
164.07442	0.5
169.75609	0.4
177.01945	100.0
178.02301	3.9
180.01515	1.1
191.03441	2.6
191.25902	0.5
192.00693	12.3
192.04301	92.3
193.00912	0.8
193.04607	3.2
206.92018	3.5
207.02637	11.7
207.06523	19.0
208.02774	0.8
208.06950	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33924	0.4
54.39845	0.5
57.03444	0.7
61.56223	0.5
68.87469	0.5
69.31895	0.5
69.73932	2.0
70.79767	0.4
75.00858	2.1
77.03950	0.9
78.63761	0.5
79.95756	0.8
83.90810	0.6
85.02937	2.0
91.21658	0.4
93.03465	3.7
95.05004	2.7
105.03457	1.2
105.97445	0.5
121.02969	6.3
123.04539	7.4
147.02988	0.5
149.02454	20.4
150.02748	0.7
163.04018	1.5
164.54166	0.5
177.01941	100.0
178.02243	3.2
179.00264	0.5
180.36038	0.5
191.03526	2.1
192.04292	89.1
193.04582	3.5
201.12000	0.5
207.05194	0.8
207.06654	17.1
213.98463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86935	0.2
59.01380	0.2
68.95235	0.2
71.39760	0.1
78.95909	0.4
79.95738	0.8
82.01736	100.0
83.01441	0.3
83.02071	1.2
90.48521	0.2
91.01893	0.2
96.59852	0.2
105.62859	0.2
112.93859	0.3
113.94217	0.3
114.93514	0.9
119.32475	0.2
119.96136	0.2
120.02203	1.1
121.02969	10.3
126.01176	3.6
133.02957	1.0
142.04164	0.2
143.05060	0.4
144.05380	1.2
149.99939	0.2
151.00708	1.7
154.00681	2.3
164.03624	0.4
175.44485	0.2
176.26295	0.2
178.01967	0.5
181.01750	1.0
208.01648	1.2
208.03033	11.7
208.91908	0.3
209.01001	0.5
209.04597	1.2
209.11995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.0
61.07011	0.7
62.96416	2.4
69.98937	1.6
69.99267	1.4
74.71833	0.8
78.95914	38.6
79.96682	3.9
86.60507	0.8
103.92035	1.1
106.99003	0.9
107.99881	1.1
121.02975	2.4
130.94432	2.1
145.18230	0.8
145.96768	1.8
147.94650	1.7
150.05688	1.0
151.02817	0.9
152.04837	100.0
153.05125	0.9
164.03510	2.0
164.07207	1.1
164.94250	1.1
164.96098	0.8
165.95732	2.2
179.89299	0.8
208.02477	1.3
208.06087	1.8
208.11125	35.6
209.11578	1.1
215.46754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00849	0.3
57.03452	0.4
59.01379	1.3
59.83891	0.3
64.59653	0.3
66.50044	0.3
67.01905	0.5
69.28819	0.8
69.29208	0.8
76.96141	2.2
78.95911	0.6
79.95743	0.4
81.03453	0.7
91.01894	0.9
93.03434	0.7
95.01408	0.8
95.05027	0.5
96.96024	0.4
105.03462	0.8
107.01412	1.2
108.02184	0.4
108.14018	0.3
109.02984	0.8
112.93810	0.5
114.93521	14.4
114.94232	0.5
120.02179	11.1
121.02962	100.0
122.02538	0.4
122.03197	1.8
123.00882	0.6
123.04468	0.5
124.04076	0.4
125.02452	0.9
133.02972	1.1
136.01665	0.7
138.03249	0.4
140.17572	0.3
150.03223	0.7
151.00371	2.3
151.02808	0.6
151.03984	3.4
161.02446	6.9
164.94153	0.4
165.00137	0.3
165.01865	0.4
165.09265	0.5
166.02733	1.6
170.94330	1.4
176.04805	3.3
177.05360	0.3
179.03497	11.1
191.01730	1.1
191.07130	1.2
194.02155	2.0
194.05835	7.9
205.23795	0.3
208.91679	4.4
209.02771	0.4
209.04472	9.5
209.08235	2.1
209.11757	0.7
210.04764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0458
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
59.01385	10.1
67.01896	19.0
68.11485	1.3
69.03437	2.3
69.57798	3.5
69.58189	2.0
80.96507	2.3
81.03468	27.4
83.01388	2.0
93.03464	4.5
95.01408	13.7
95.05021	1.6
96.96027	2.2
97.02935	1.8
98.22639	3.2
107.01405	58.0
107.05029	1.5
108.02209	13.2
109.02350	1.7
109.02973	22.4
110.00079	2.1
111.00906	14.8
112.98770	1.6
120.02127	2.5
121.02161	2.2
121.02975	28.4
122.03766	12.4
123.00891	22.4
123.04562	7.9
124.01653	4.1
124.04006	2.6
125.02461	27.2
133.02950	4.0
135.04451	1.9
136.01613	3.5
137.02461	4.0
137.06029	1.6
138.03201	3.4
147.53877	1.5
150.03227	13.5
151.00394	100.0
151.04002	4.7
152.00798	1.8
161.02457	9.4
164.94115	3.2
164.98158	1.7
165.01941	2.7
165.05487	2.7
166.02734	83.9
167.03152	2.1
176.04755	4.6
177.01840	1.8
179.03505	18.9
181.05037	5.8
191.07097	2.0
194.02217	73.1
194.05850	16.7
195.02541	2.4
199.22375	1.6
209.04510	71.5
209.08170	5.5
209.11720	2.8
210.04790	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	209.0458
Annotation	2,4-Diacetylphloroglucinol
Peak:m/z	Relative Intensity
50.05016	0.4
69.41071	2.0
73.02958	4.3
78.19931	0.4
92.01409	0.4
98.21852	0.8
107.01428	0.9
108.02203	1.6
109.02979	2.9
109.25881	0.4
114.93523	1.3
120.02177	6.7
121.02970	54.8
122.03327	1.4
123.04562	0.4
125.02425	0.4
132.02168	1.5
133.02971	100.0
134.03320	2.3
135.00940	0.6
149.17982	0.4
150.03220	0.4
152.01228	0.6
167.03532	1.9
177.01935	3.6
208.91795	0.5
209.04567	41.6
209.11890	0.7
210.04904	1.2
215.75015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0669
Annotation	beta-D-Sedoheptulopyranose
Peak:m/z	Relative Intensity
55.01880	1.1
56.59617	0.3
57.03453	8.4
57.17501	0.3
59.01386	9.4
61.98836	100.0
69.03475	0.3
70.76038	0.4
71.01391	3.7
72.99319	0.4
73.02958	1.6
76.40143	0.3
78.95947	0.3
83.01380	1.5
84.02175	1.5
85.02959	28.8
86.03298	0.5
87.00890	8.7
89.02454	2.3
90.55223	0.3
97.02972	1.1
99.00884	1.8
101.02469	2.0
108.90212	0.3
111.00886	2.5
115.00311	0.4
115.04020	0.5
125.00107	1.0
129.01965	15.2
135.92145	0.7
141.01965	1.7
148.54739	0.3
159.03014	3.4
189.47173	0.3
191.05632	0.5
208.97226	0.6
209.06686	28.9
209.94919	25.5
210.06972	0.6
229.66466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10137	0.8
55.01873	3.7
57.03453	27.4
59.01384	27.8
61.98859	1.5
68.99809	1.5
69.03436	1.6
69.76227	3.1
71.01393	17.3
72.99313	3.1
73.02955	3.6
75.00872	1.6
78.95476	0.8
78.95910	19.9
83.01392	5.5
84.02171	4.1
85.02958	100.0
86.03298	1.9
87.00883	28.6
87.04527	1.2
88.98815	1.2
89.02458	5.9
96.96006	2.8
96.96971	8.7
97.02971	2.7
99.00896	9.4
101.02464	3.0
110.98540	6.6
111.00880	9.0
112.98827	15.8
115.00381	1.6
121.02982	5.8
124.98812	3.1
129.01953	43.9
131.03474	1.4
131.08279	1.5
133.01407	2.1
133.05098	1.3
141.01959	3.9
142.99876	57.3
144.00253	1.2
157.00783	1.0
159.03001	9.6
163.56781	1.0
166.05067	1.2
173.00893	10.3
173.10463	1.0
179.00906	0.9
191.02010	2.1
195.84239	0.8
209.03233	2.4
209.06688	79.8
210.00893	1.2
210.07030	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	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.6
66.01098	0.3
67.01949	0.3
69.77068	0.8
77.03976	0.5
81.03480	0.7
83.71429	0.2
91.01929	0.8
91.05574	0.3
93.03450	1.7
95.01417	0.4
95.05014	1.5
105.03458	5.5
105.04093	0.4
107.05062	0.8
108.02158	0.5
109.02977	0.6
117.03478	0.4
119.29755	0.2
120.02184	8.2
121.02966	100.0
122.03240	2.9
123.04550	1.7
124.04095	0.6
125.02534	0.3
133.02962	3.0
135.04553	0.5
136.01691	0.9
137.02429	0.4
139.08351	0.3
147.04532	0.7
148.05377	0.5
150.03256	0.7
151.00467	0.4
151.02876	0.6
151.04010	15.9
152.04417	0.7
161.02457	39.1
162.02777	1.5
164.03482	0.3
165.05580	0.7
165.09206	0.8
174.79860	0.3
175.03925	0.3
176.04794	25.0
177.05179	1.0
179.03508	56.7
180.03789	1.5
191.07162	6.7
192.03233	0.3
193.04944	0.3
194.05846	36.4
195.06175	1.2
201.76749	0.3
209.04501	9.7
209.08173	11.1
209.11705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61951	0.9
68.08335	0.9
69.58830	0.9
69.82722	0.9
69.84101	3.2
72.82019	0.9
75.83938	0.9
77.04005	1.1
78.15988	0.9
79.27667	1.0
93.03475	2.6
95.05036	2.5
105.03476	10.0
107.05068	1.5
120.02195	3.9
121.02161	1.6
121.02982	24.1
123.04521	1.5
133.02960	5.2
151.04018	26.2
152.04375	1.5
161.02463	70.1
162.02898	2.2
165.05457	1.1
165.09300	1.0
168.80966	1.0
176.04813	32.2
177.05260	1.2
179.03516	100.0
180.03868	3.6
191.07150	9.9
194.05858	83.0
195.06168	2.5
209.04567	2.3
209.08206	21.0
209.10023	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96438	0.3
78.95910	100.0
93.03468	0.3
96.96954	2.0
120.02203	1.9
121.02967	17.9
128.79309	0.3
133.02942	0.5
153.03241	34.4
154.03596	0.6
155.84514	0.3
193.14471	0.3
194.05882	0.4
209.04408	1.7
209.09503	19.5
209.11800	3.4
210.09836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22308	0.2
64.23766	0.2
69.19006	0.5
69.19427	0.8
69.84094	0.2
78.95911	100.0
83.05061	0.3
84.62585	0.2
91.23335	0.2
96.96963	2.2
103.53235	0.2
120.02199	0.3
121.02971	3.6
125.02462	0.4
133.02960	0.3
140.31039	0.2
143.05051	0.7
153.03239	32.0
154.03583	0.4
209.00703	1.4
209.04570	0.4
209.09521	16.8
209.11784	2.5
210.09822	0.5
218.55246	0.2
224.70038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1186
Annotation	Pulchellon
Peak:m/z	Relative Intensity
56.61219	1.0
57.03443	4.5
59.01385	14.9
63.53682	1.0
69.03461	30.9
69.60323	2.7
69.60715	2.2
71.05025	4.0
78.04144	1.1
79.35885	1.0
80.46946	1.1
83.05033	4.5
89.05761	1.0
93.03470	3.6
95.05017	3.1
95.72692	1.1
96.96019	4.4
97.06577	3.1
108.05798	3.4
109.06626	3.7
111.08192	7.4
120.02193	3.3
121.02967	27.0
121.10246	2.2
127.07668	2.3
128.02872	1.1
135.08208	3.3
139.07625	1.6
147.11870	2.5
153.09218	9.1
163.11305	3.6
165.09177	3.4
165.12854	22.9
173.09705	1.4
181.12369	26.1
187.16283	1.1
191.10782	26.5
198.52036	1.2
209.08635	3.1
209.11844	100.0
210.12151	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	209.1186
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
54.63332	0.4
57.03460	2.3
59.01385	100.0
69.56773	0.8
69.57145	0.7
77.91158	0.5
80.02684	1.1
81.03477	1.2
97.06606	2.1
109.06613	3.9
121.02985	5.2
130.63873	0.5
139.20621	0.4
154.46269	0.4
163.11339	0.6
165.12834	3.3
166.92628	0.5
170.73398	0.4
209.11853	9.1
209.13741	0.7
210.12273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0444
Annotation	imidacloprid-urea
Peak:m/z	Relative Intensity
59.01366	1.0
63.96248	2.4
64.97029	18.3
70.20940	1.2
78.95903	2.4
79.95741	16.0
80.96521	5.4
95.97622	100.0
124.04064	2.1
129.05527	0.8
130.08754	88.8
131.09085	1.1
148.04376	2.8
164.03868	1.3
166.05173	0.9
192.03381	2.9
210.04434	57.6
211.13431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0404
Annotation	4-Hydroxyxanthone
Peak:m/z	Relative Intensity
54.29985	0.3
63.21115	0.3
65.00329	100.0
66.00670	1.2
69.30967	1.5
101.03957	0.5
139.05537	1.9
143.05037	61.7
144.05382	2.2
145.02991	1.0
155.05051	0.4
167.05008	2.9
183.04535	1.2
193.16000	0.3
211.04010	25.5
211.13445	0.6
212.04401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0765
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
54.09400	0.2
59.01369	0.2
65.00311	0.2
65.03970	1.6
69.06187	1.5
86.59473	0.2
97.15874	0.2
98.21854	0.3
101.03986	0.3
115.92418	0.2
127.05553	0.2
141.07095	0.9
152.06320	0.8
165.07074	1.8
167.07257	0.4
167.08672	8.1
167.10803	0.3
168.08989	0.4
169.06601	21.2
170.06929	1.0
183.08189	0.4
193.06233	0.2
209.06073	0.8
209.98257	0.2
211.07651	100.0
212.07997	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	211.0767
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
65.00330	19.8
65.03966	1.3
65.12954	0.4
69.94222	1.3
73.60771	0.4
95.01417	1.0
101.03922	0.4
123.00950	0.6
127.05556	0.5
141.07062	0.5
143.03905	0.7
143.05045	13.0
144.05392	0.5
152.06305	1.2
165.07118	1.9
167.05000	1.1
167.08669	8.0
169.05170	0.9
169.06606	19.5
170.06866	0.7
205.08493	0.4
209.06126	1.1
211.04039	5.2
211.07658	100.0
211.13145	2.0
212.04373	0.6
212.07986	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	211.0978
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
57.57419	0.3
69.03458	0.7
69.28187	1.6
81.03462	0.3
83.01406	0.3
83.42535	0.3
92.47276	0.3
95.01409	1.6
97.02958	10.8
97.03591	0.6
98.22758	0.5
107.05033	1.2
123.04543	2.4
125.02459	1.0
125.06117	0.4
137.02448	0.4
148.70381	0.3
150.03250	0.6
151.04025	8.1
153.05592	12.9
167.07176	0.4
181.05080	100.0
182.05409	3.0
195.06685	0.5
196.07422	67.9
197.07713	1.6
211.09776	14.9
211.13205	0.6
212.10083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1343
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
58.67557	0.8
58.79971	1.0
59.01378	1.5
92.32977	0.9
95.01398	4.8
98.22719	2.0
109.08734	1.1
111.74584	1.0
112.99783	1.0
121.02990	1.3
123.00908	1.7
140.16418	1.1
150.60771	1.1
164.98360	2.1
167.10806	5.0
167.14426	1.9
168.25960	1.0
183.13921	17.1
192.97989	0.9
193.01410	1.8
193.12331	3.9
211.13414	100.0
212.13751	4.1
230.34190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
58.42888	0.3
59.89793	0.2
61.98863	0.3
67.01894	2.9
70.98350	0.4
73.55170	0.2
74.92200	0.3
83.05017	0.9
91.24216	0.2
95.01424	0.6
97.06572	0.6
117.29861	0.3
121.02938	0.3
123.04513	0.3
123.08165	0.6
125.09734	5.5
139.11263	0.2
151.11264	0.3
167.14424	3.8
175.11322	0.3
183.13948	0.2
193.12427	0.3
211.13406	100.0
212.13742	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.53513	0.4
65.00327	5.1
66.52796	0.5
69.18416	2.3
69.41619	0.4
71.58622	0.4
81.07102	1.2
95.01398	1.9
97.06593	5.1
101.06075	1.0
109.06593	1.4
111.08137	1.6
123.04504	0.5
139.00449	0.5
139.04022	1.0
143.05095	2.5
154.06366	4.6
155.07243	0.5
164.98271	0.4
167.14401	5.2
183.13913	1.5
186.05313	1.0
195.10269	3.3
209.35837	0.4
211.04018	1.9
211.13411	100.0
212.13704	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	213.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93374	0.4
52.87659	0.5
55.87650	0.4
57.03455	0.6
58.58363	0.5
59.01361	0.8
62.96407	8.2
70.16221	1.3
76.98002	7.2
78.95912	100.0
80.97490	3.1
81.03490	1.1
83.05038	0.6
92.97482	7.4
93.03475	0.7
102.95920	61.8
119.53785	0.4
120.96984	35.9
123.05646	0.7
125.09749	0.5
128.95168	10.4
137.03745	4.1
138.52997	0.6
138.93596	42.8
140.97026	0.5
155.00354	0.6
156.94650	8.1
177.03241	22.9
185.01395	4.8
213.00905	38.0
213.07626	1.3
213.09425	0.8
213.14952	1.5
213.18626	1.4
214.01224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93374	0.4
52.87659	0.5
55.87650	0.4
57.03455	0.6
58.58363	0.5
59.01361	0.8
62.96407	8.2
70.16221	1.3
76.98002	7.2
78.95912	100.0
80.97490	3.1
81.03490	1.1
83.05038	0.6
92.97482	7.4
93.03475	0.7
102.95920	61.8
119.53785	0.4
120.96984	35.9
123.05646	0.7
125.09749	0.5
128.95168	10.4
137.03745	4.1
138.52997	0.6
138.93596	42.8
140.97026	0.5
155.00354	0.6
156.94650	8.1
177.03241	22.9
185.01395	4.8
213.00905	38.0
213.07626	1.3
213.09425	0.8
213.14952	1.5
213.18626	1.4
214.01224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98835	100.0
63.66959	0.3
68.08802	0.3
69.56139	0.3
71.01390	0.5
71.19270	0.3
72.99317	0.6
78.95930	1.1
79.60136	0.3
87.00880	3.3
89.02452	0.7
93.03455	0.4
95.02551	0.4
98.02474	0.5
98.07036	0.3
101.02453	0.5
107.05040	0.4
111.00863	0.4
113.03580	0.8
114.02002	0.8
117.01890	0.4
125.02485	0.4
125.06121	0.7
127.00179	1.4
127.05144	0.9
128.03552	41.6
128.97884	0.3
129.03917	0.9
131.04614	2.4
131.08214	1.6
131.09145	0.4
136.98515	0.5
145.06189	3.5
151.00203	0.4
169.05025	0.4
172.01054	0.9
197.99313	0.3
213.01465	2.7
213.07530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81540	0.6
59.01375	1.7
65.00354	0.8
65.20448	0.8
67.46214	0.8
71.41249	0.8
78.95897	5.6
79.95704	0.8
88.41048	0.8
92.76650	0.8
93.03464	13.1
94.83644	0.8
95.01397	1.3
99.00886	1.2
109.02984	1.1
121.02964	15.8
123.04487	1.3
137.02422	2.5
139.04025	42.3
140.04384	1.3
147.04550	4.2
149.02457	100.0
150.02791	2.2
153.00156	3.5
153.03108	1.4
157.02890	1.2
165.01942	0.9
166.00465	0.8
167.01917	0.8
170.89362	1.0
175.04034	1.9
179.03540	2.3
183.01227	28.0
185.02412	5.7
197.99152	1.2
199.76518	0.8
212.98688	1.6
213.02148	35.1
213.05612	2.5
213.15073	1.6
213.18613	2.3
214.02544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00023	0.3
65.00314	2.2
67.01896	6.2
68.99825	3.4
101.03997	1.1
103.92500	0.5
127.05543	0.8
130.04210	0.4
130.82518	0.4
139.05542	4.3
141.07123	18.7
142.07448	0.6
143.05034	3.5
145.02983	1.6
145.06602	2.8
151.05501	0.5
154.04362	1.0
168.05832	0.5
169.06606	100.0
170.06934	4.3
171.04532	9.4
185.06104	1.1
197.99184	0.6
213.05589	37.7
214.05894	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	213.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40119	0.6
53.19940	0.6
63.73425	0.7
65.00323	7.3
66.00670	0.7
67.01896	84.9
68.02209	1.2
68.99818	9.8
83.01405	1.0
93.82159	0.6
98.22631	1.7
101.03983	4.9
108.02174	0.9
114.77486	0.6
115.05527	1.3
127.05544	1.5
129.03551	0.6
139.05569	3.2
141.03484	1.0
141.07123	29.0
142.07477	0.9
143.05042	35.1
144.05351	1.4
145.02969	28.8
145.05653	0.9
145.06612	6.9
146.03343	0.8
147.04555	1.2
151.05554	2.0
154.04276	3.8
157.06612	0.7
164.71748	0.7
167.05028	1.3
168.05899	0.7
169.06604	62.1
170.06934	2.5
171.04538	37.4
172.04932	1.2
185.06108	12.2
190.89418	0.7
195.04518	1.2
197.99161	1.4
198.03249	1.9
213.02017	3.7
213.05589	100.0
214.06010	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	213.0561
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
53.84084	0.4
54.16275	0.3
58.46321	0.4
58.53815	0.4
59.01396	0.8
65.00336	0.5
79.39169	0.4
83.01395	0.8
91.39711	0.4
93.03471	100.0
94.03802	1.5
97.02977	0.4
111.63216	0.4
141.07010	0.4
145.06570	0.7
169.06612	11.8
169.15967	0.7
177.90312	1.4
179.12488	0.4
185.06073	2.1
194.99393	0.6
195.13968	0.4
197.99176	2.8
213.03526	0.8
213.05569	14.2
213.15007	4.9
214.05826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0558
Annotation	4,4'-Dimethylangelicin
Peak:m/z	Relative Intensity
51.49586	0.3
56.57081	0.3
65.00335	2.0
68.99834	0.7
69.10403	0.3
69.98144	0.4
69.98469	0.8
70.09164	0.4
71.31207	0.4
71.72581	0.3
79.54432	0.3
80.54661	0.3
83.01391	8.7
89.71488	0.4
115.05537	2.1
117.07121	7.8
127.05561	3.7
130.04259	8.6
141.03479	0.4
141.07115	10.8
142.07487	0.5
143.05042	15.8
144.05354	0.6
145.06602	47.7
146.06960	1.8
147.04579	0.8
151.05647	0.4
166.79372	0.3
169.06583	6.8
170.06950	0.5
171.04521	3.2
177.76277	0.4
185.02469	1.3
185.06081	6.9
189.05440	0.5
192.04686	0.3
195.04552	0.5
213.02051	4.0
213.05583	100.0
214.02705	0.4
214.05923	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	213.1134
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03454	3.4
59.01378	0.7
59.64041	0.6
69.03452	1.1
69.58928	0.6
71.41933	0.8
79.95735	0.9
83.05045	1.2
85.06602	2.0
97.06590	0.7
102.32760	0.6
102.58605	0.5
111.08154	2.9
123.08176	45.4
124.08540	1.2
125.09740	5.8
137.09760	9.4
139.11307	75.5
140.11655	2.8
151.11307	11.7
153.09198	0.7
167.10818	3.8
169.12375	6.6
197.99225	1.1
213.01768	1.6
213.11339	100.0
214.11710	3.6
231.90866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.24933	0.2
69.20720	1.4
84.72504	0.2
130.58955	0.3
142.25458	0.2
165.12915	0.3
177.12897	0.5
183.13911	28.9
184.14246	0.9
195.13914	25.3
196.14256	1.1
211.13460	0.8
213.14978	100.0
214.15344	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	213.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
61.98856	0.2
63.21259	0.2
69.31554	1.0
76.16261	0.2
83.05008	0.4
93.03476	0.8
97.06587	0.4
108.91875	0.2
151.11316	1.0
165.12871	0.6
167.14560	0.3
169.12361	5.2
177.12807	0.4
183.13916	28.9
184.14229	1.2
194.99394	0.3
195.13914	25.2
196.14214	0.7
197.99181	0.8
211.13429	0.7
213.01770	0.5
213.14981	100.0
214.15311	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	213.1499
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.69476	0.3
56.46534	0.3
56.66504	0.2
59.01382	0.4
69.12148	1.4
69.12556	0.6
82.40821	0.3
92.15421	0.3
98.21803	0.3
107.65668	0.3
112.56145	0.3
123.59307	0.3
165.12872	0.3
177.12875	0.4
183.13914	28.2
184.14233	1.1
195.13914	24.2
196.14230	0.8
211.13356	0.8
213.14977	100.0
214.15309	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	215.0714
Annotation	Nepodin
Peak:m/z	Relative Intensity
59.01372	0.8
67.01891	3.3
68.99809	0.9
69.03448	0.2
69.41818	0.8
74.61256	0.2
83.01392	9.8
85.88740	0.2
92.84431	0.2
93.76193	0.2
98.22691	0.3
101.03973	0.3
101.61532	0.2
109.02930	0.3
117.03517	0.5
119.05090	0.2
127.05547	0.5
130.04259	0.5
131.05052	1.4
136.98836	0.3
140.09186	0.2
141.07071	0.6
143.05014	0.7
144.00909	2.2
145.06607	2.4
153.71600	0.2
156.05846	0.4
159.04538	0.3
169.06584	3.2
171.02046	0.4
171.04520	1.6
171.08359	0.3
172.00421	0.3
172.05307	2.5
173.06091	15.0
174.06396	0.4
187.04077	0.4
197.00885	0.5
197.06021	0.3
200.04848	0.3
204.90652	0.2
213.05453	0.3
214.02692	0.3
215.01057	14.2
215.07137	100.0
216.01274	0.6
216.07486	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	215.0715
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
52.51754	0.7
59.01376	1.7
63.32889	0.8
65.03975	1.8
66.96988	0.7
67.01897	88.3
68.02205	0.8
68.99822	43.1
70.01494	2.3
76.85769	0.7
77.22482	0.7
83.01397	7.6
83.04994	0.9
87.04527	9.3
93.03462	1.6
93.16983	0.9
95.01398	1.0
98.22536	1.3
100.07639	0.9
105.05265	0.8
107.11686	0.9
108.40096	0.7
109.02969	12.5
111.00896	3.5
115.05541	1.2
117.03493	2.0
117.07117	4.2
119.05058	1.1
122.94138	0.7
124.01669	8.4
128.07170	2.0
130.04277	4.2
131.05046	2.4
134.00739	1.0
135.01039	2.7
136.98782	0.9
143.05028	4.0
144.00919	4.4
145.02928	1.5
145.06610	36.9
146.07120	1.0
146.08226	4.1
156.05783	1.4
157.06651	1.1
158.03728	2.7
159.04584	1.3
159.08189	1.0
169.06567	2.2
170.11844	1.7
171.04524	8.2
171.08148	5.5
171.97047	1.0
172.00403	1.0
172.05214	1.0
173.06097	26.8
174.06451	0.9
187.04025	1.9
187.07666	9.1
197.00961	1.3
197.06122	2.1
214.96655	3.5
214.98885	1.9
215.01030	50.2
215.03554	5.7
215.07137	100.0
215.96031	1.4
216.01309	2.6
216.07622	3.8
216.45479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0715
Annotation	Nepodin
Peak:m/z	Relative Intensity
50.82253	0.8
57.15351	0.7
59.01380	2.8
65.00316	2.3
67.01894	2.9
68.99811	2.9
79.95764	1.1
81.03468	2.3
83.01414	0.9
90.81672	0.7
98.21902	2.3
101.03974	3.4
109.02956	1.5
115.05549	1.5
117.03439	4.5
123.00967	0.8
127.05548	35.6
129.07121	3.0
131.05063	1.2
132.74452	0.8
139.05547	5.6
141.03497	2.7
141.07103	2.7
143.05042	2.9
144.00926	14.8
145.02991	2.3
145.06602	18.8
149.02382	1.2
155.03851	0.5
155.05034	15.4
156.05836	17.3
157.06598	12.7
159.04533	1.6
159.08180	14.3
168.72618	0.9
169.06613	0.9
171.01996	3.5
171.04520	3.0
171.97063	3.6
172.00415	1.2
173.06104	19.5
183.04526	12.2
185.06070	1.5
187.04025	3.6
187.07632	1.2
200.02879	1.0
200.04808	34.4
201.05580	24.8
215.01018	100.0
215.03288	3.2
215.07140	86.1
215.96100	1.0
216.01363	3.2
216.07353	2.4
231.43767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0714
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
57.51007	0.2
59.02932	0.2
65.94824	0.2
69.47636	0.2
69.57465	0.9
70.17252	0.2
80.22336	0.2
117.03474	0.3
144.00935	0.7
153.12837	0.2
171.01981	0.2
172.05324	3.1
174.85104	0.2
187.04053	0.3
197.11894	0.3
200.04805	42.6
201.05139	1.3
215.01157	4.5
215.07141	100.0
216.01221	0.2
216.07480	4.0
232.03809	2.8
233.30420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26205	0.4
55.51767	0.3
59.01387	0.5
61.98838	7.5
67.14124	0.3
70.84219	0.5
71.01388	18.0
72.01752	0.3
72.04565	0.3
72.12215	0.3
72.99320	4.8
73.02929	0.3
74.02482	0.3
78.95930	0.3
82.02998	0.5
82.80730	0.3
83.01407	0.7
84.04546	0.4
85.02992	0.3
87.00874	1.0
88.04054	0.3
89.02457	2.6
96.04574	0.4
98.02501	0.9
101.02457	0.5
103.98414	0.5
109.04066	0.7
112.04014	0.3
114.05614	0.4
115.00388	53.3
116.00716	0.9
119.97908	2.3
126.05705	0.3
127.05141	1.6
128.03552	0.7
133.01447	100.0
134.01744	1.4
142.05113	0.4
145.06206	7.8
172.06076	0.3
174.07697	0.8
175.96892	4.9
176.97047	0.3
191.91339	0.3
199.94492	0.4
217.99275	0.5
218.06725	1.8
219.79669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26205	0.4
55.51767	0.3
59.01387	0.5
61.98838	7.5
67.14124	0.3
70.84219	0.5
71.01388	18.0
72.01752	0.3
72.04565	0.3
72.12215	0.3
72.99320	4.8
73.02929	0.3
74.02482	0.3
78.95930	0.3
82.02998	0.5
82.80730	0.3
83.01407	0.7
84.04546	0.4
85.02992	0.3
87.00874	1.0
88.04054	0.3
89.02457	2.6
96.04574	0.4
98.02501	0.9
101.02457	0.5
103.98414	0.5
109.04066	0.7
112.04014	0.3
114.05614	0.4
115.00388	53.3
116.00716	0.9
119.97908	2.3
126.05705	0.3
127.05141	1.6
128.03552	0.7
133.01447	100.0
134.01744	1.4
142.05113	0.4
145.06206	7.8
172.06076	0.3
174.07697	0.8
175.96892	4.9
176.97047	0.3
191.91339	0.3
199.94492	0.4
217.99275	0.5
218.06725	1.8
219.79669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
56.28519	0.5
56.42398	0.5
59.01379	6.2
60.01712	1.6
67.88509	0.6
71.01391	13.3
71.05025	23.3
71.13625	0.6
72.13898	0.6
88.04050	100.0
88.46072	0.5
89.03677	0.5
89.04379	1.3
93.04958	0.5
98.06106	0.7
99.04519	5.6
116.03575	0.9
116.07182	2.8
129.05585	1.3
137.38443	0.5
146.08246	50.3
147.08589	1.0
153.61008	0.5
162.61157	0.5
175.99576	0.8
218.00684	1.1
218.10350	24.4
219.10696	0.7
219.17447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68319	0.5
59.01383	5.2
60.01712	1.5
70.62646	1.0
71.01391	12.5
71.01791	0.7
71.05024	21.5
72.00902	1.0
72.04549	0.6
80.13702	0.5
88.04047	100.0
89.04397	0.9
98.06110	0.6
99.04518	5.4
116.07202	2.8
129.05608	1.1
146.08244	46.3
146.97903	0.4
175.99652	0.9
183.49332	0.4
188.38550	0.4
218.00793	0.6
218.10338	22.9
219.10767	1.0
219.17564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0663
Annotation	4,6-Dimethoxy-5-methylcoumarin
Peak:m/z	Relative Intensity
53.38929	0.8
57.01937	0.8
59.01382	1.9
59.02919	0.7
62.23745	0.7
64.44704	0.7
65.66460	0.7
71.39692	1.0
73.02946	7.3
115.05547	3.4
117.03479	24.6
119.05022	8.2
143.05038	97.4
144.05399	2.5
145.02963	100.0
146.03310	3.0
161.02432	1.8
162.69566	0.7
163.75189	0.7
177.05568	4.5
187.04039	6.0
219.06638	51.2
219.17513	5.1
220.06882	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	220.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.8
61.98837	22.8
62.96407	3.6
69.48119	2.0
87.02774	2.8
106.25806	0.6
107.07431	0.5
111.60605	0.5
114.63625	0.5
126.93610	1.6
128.93346	1.2
131.05391	1.7
133.06946	100.0
134.07294	2.0
135.04388	0.6
160.84254	1.4
178.98553	1.4
184.87625	0.6
198.57643	0.5
219.84569	4.4
219.94653	0.7
219.97902	0.8
220.10130	5.0
220.17839	2.6
220.97275	1.6
220.99530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0668
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
50.69848	3.3
59.01383	100.0
61.38401	3.8
69.49747	18.8
71.01390	25.8
73.02952	43.5
76.22938	3.7
78.95895	6.8
79.95743	13.2
83.01383	10.0
85.02961	12.9
89.02429	6.6
95.01384	5.4
98.21893	6.1
101.02470	22.4
113.02441	21.6
116.90522	4.4
138.15485	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0668
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
57.03448	3.8
59.01384	100.0
71.01389	26.4
73.02956	55.0
79.95747	8.9
83.01409	6.9
85.02982	13.4
89.02446	7.3
96.96034	9.8
101.02457	25.1
105.94334	3.5
113.02468	27.8
130.92220	4.0
131.03499	5.6
136.82681	4.0
142.08571	3.9
190.57161	3.4
199.07022	3.8
221.08209	4.8
221.11993	4.9
234.40211	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	221.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60616	0.6
55.82769	0.7
59.01372	2.6
70.24164	2.0
73.02952	100.0
74.03252	0.8
76.38435	0.7
79.95754	1.8
83.01380	1.7
93.87981	0.8
106.60757	0.8
115.04017	17.1
181.99553	1.3
219.36153	0.7
232.61128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.2
69.03084	3.1
69.03465	49.0
69.53919	4.8
69.54307	4.7
71.05028	100.0
75.02428	3.1
88.94686	2.1
89.19861	2.4
90.03690	2.1
91.02134	2.0
93.03462	20.5
98.76365	2.4
107.05036	3.2
121.02979	45.2
122.96237	2.5
127.00383	8.8
134.03748	21.7
147.00946	12.1
147.08188	3.4
149.09738	12.5
165.02011	2.8
177.09212	10.3
221.08232	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1185
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
57.03447	16.6
59.01387	33.1
63.91996	1.1
65.98257	1.3
69.03442	2.0
69.39330	5.8
71.01382	8.2
73.02954	14.3
74.78031	1.1
76.02410	1.2
79.95750	13.6
81.08824	1.2
83.01412	3.0
83.05019	6.5
85.02956	2.0
89.02457	2.0
93.03472	3.0
95.05065	1.3
95.95255	5.3
96.96014	9.3
98.78912	1.2
101.02438	6.5
105.26299	1.2
109.02974	3.1
109.06588	2.0
109.72523	1.2
113.02446	5.1
119.08670	4.7
121.06624	4.5
123.04579	1.6
123.08166	5.1
125.06099	1.5
135.04532	1.5
135.08214	2.8
136.05313	2.3
137.09718	4.8
149.06107	3.8
151.07646	5.8
151.11295	7.9
161.09735	31.3
162.10156	1.4
163.07669	13.2
164.08430	2.5
165.05551	1.8
173.06097	1.7
177.09308	1.4
177.12868	4.9
178.06328	5.9
178.09998	6.0
179.10791	55.4
180.11122	2.4
181.99603	2.1
185.09721	1.5
187.07652	6.7
188.08493	3.4
191.07164	10.1
193.12366	19.5
200.07872	22.9
200.58011	2.8
203.10806	88.0
204.11143	5.3
205.08669	1.5
206.09511	38.8
221.02762	4.1
221.11850	100.0
222.12328	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	Kobusone
Peak:m/z	Relative Intensity
56.00228	0.1
59.01380	0.2
64.44408	0.1
70.00102	0.2
70.00433	0.2
78.10281	0.1
111.15797	0.1
127.07631	0.2
135.17276	0.1
139.00719	0.1
148.05286	0.4
149.06093	0.4
151.07658	0.1
164.08438	2.0
164.09714	0.1
165.09143	0.2
205.12346	1.5
206.12694	1.0
207.13860	0.2
220.12511	0.1
220.14709	3.6
221.15469	100.0
222.15810	4.5
222.17511	0.1
235.13344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01377	0.9
59.96717	1.4
61.63974	0.3
61.98832	0.7
67.16661	0.3
69.96024	0.3
70.75620	0.3
71.42868	0.3
74.99081	17.0
75.55280	0.3
93.00144	7.3
94.47038	0.3
95.01378	0.4
101.02484	0.3
106.04307	0.4
107.01396	0.5
121.03012	0.4
123.00883	0.3
149.00975	12.5
150.98853	0.8
151.00313	0.4
151.04053	0.5
166.06308	0.6
178.99875	0.4
189.45627	0.3
195.13998	0.3
206.99722	4.5
223.02853	100.0
223.13350	2.3
224.02890	5.4
225.00822	0.4
230.14442	0.3
241.03958	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	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
52.19444	0.1
57.83609	0.1
59.01365	0.2
59.96726	1.7
61.98830	0.2
62.63880	0.1
69.72784	0.1
69.73109	0.3
73.01160	0.2
74.99079	19.9
75.96218	0.3
75.99020	0.3
85.02959	0.1
93.00145	6.9
94.00085	0.1
98.21895	0.1
110.62853	0.1
149.00967	14.0
150.00941	0.5
150.98849	0.8
206.99715	6.7
207.99855	0.2
215.83733	0.1
223.02847	100.0
224.02892	5.3
225.00674	0.3
241.03880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
57.03453	7.0
59.01382	4.4
68.66927	0.5
69.03460	2.0
69.28689	0.6
69.91716	1.0
70.40799	0.5
71.01392	4.6
72.99315	34.1
73.02954	1.0
75.00875	8.0
78.95892	1.4
81.03465	16.6
81.14771	0.6
83.01384	2.0
84.02151	0.9
85.02957	48.5
86.03286	0.6
87.00892	5.4
89.02413	0.6
97.02945	2.0
98.21987	0.9
99.00891	18.2
99.04538	0.7
101.02441	3.0
103.00372	0.7
111.00909	8.9
113.02461	7.6
117.01952	3.8
124.30601	0.6
125.02463	57.5
126.02753	1.2
127.82600	0.6
129.01959	68.1
130.02295	0.9
131.03500	1.9
143.03534	8.8
147.03015	26.5
150.19563	0.5
159.03015	0.9
161.04578	1.8
169.01443	2.7
177.03998	0.6
187.02477	0.8
205.03548	41.2
206.03957	0.9
223.04614	100.0
224.04958	3.0
231.63794	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	223.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48540	1.0
51.29343	1.0
55.01880	4.1
57.03453	18.3
59.01383	15.8
61.98837	8.1
67.01918	1.7
69.72644	3.9
70.34308	1.1
71.01392	17.0
72.99317	7.3
73.02945	3.2
74.99054	1.1
75.00875	9.5
78.95911	9.7
81.03490	2.0
83.01392	11.5
84.02178	3.4
85.02959	100.0
86.03299	1.3
87.00892	7.7
87.02732	1.3
88.01676	1.5
88.52366	1.0
96.96988	3.6
99.00896	4.4
101.02445	11.1
103.00380	2.8
103.04012	2.1
111.00896	42.5
112.98836	1.5
117.03783	1.2
118.97373	1.1
125.00111	2.6
125.02474	4.5
127.05141	2.4
129.01953	35.0
135.01196	1.7
135.04767	3.2
143.03513	1.9
145.06201	2.9
147.03038	8.6
147.26993	1.2
149.04568	1.8
156.39687	1.0
161.04601	2.6
165.04114	1.6
167.14185	1.0
176.83670	1.1
179.03581	1.3
187.02466	2.7
205.03548	38.8
208.03731	1.7
215.36797	1.1
223.02760	6.1
223.04628	33.5
223.06557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.50881	1.1
57.03432	1.4
59.01381	7.2
69.03448	5.0
69.34615	5.3
82.58847	1.1
83.05067	1.2
85.06574	2.1
93.00232	1.2
95.05038	1.1
96.96022	2.8
101.02447	1.2
102.32706	1.2
109.06612	1.8
124.26034	1.2
133.51616	1.4
149.01047	1.6
166.06361	4.4
167.10776	9.0
177.12773	1.7
179.10818	4.0
179.14426	11.9
195.13908	34.7
205.12329	23.2
223.02805	10.8
223.13396	100.0
224.13708	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	223.1342
Annotation	(6R,9R)-vomifoliol
Peak:m/z	Relative Intensity
53.00886	1.8
57.03456	78.2
59.01379	11.2
60.09198	2.1
64.51781	1.9
69.03456	3.8
69.51255	6.8
71.01374	7.7
73.02946	21.6
74.99084	2.6
79.95743	21.2
81.06589	1.9
81.95318	6.6
83.05029	6.6
85.02960	4.5
85.06605	3.8
93.03445	2.4
95.05034	4.1
97.06553	4.1
99.04506	4.5
101.02457	3.3
109.06607	4.0
113.05366	3.2
113.06099	42.2
121.02953	6.6
121.06598	2.7
123.08176	10.1
125.06075	4.0
125.09733	2.6
128.87321	2.0
135.04517	4.0
135.08192	7.0
137.06100	5.8
137.09740	26.9
139.07626	5.6
142.01651	2.3
149.09708	3.1
151.05998	2.0
151.07629	3.1
151.11241	4.7
153.09235	63.5
154.09552	2.2
161.09729	4.2
163.11325	17.6
165.09218	35.2
165.99020	1.9
175.07719	10.3
177.12740	3.6
178.10001	2.8
179.10767	2.5
181.12383	2.3
187.11305	28.4
190.10069	4.9
193.01337	3.8
193.12337	10.9
195.13800	4.5
205.03412	2.2
205.12358	50.3
208.03851	5.4
208.11089	12.8
223.02789	18.1
223.06007	2.8
223.13394	100.0
224.13734	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	225.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07367	0.2
57.03455	6.1
59.01380	0.8
61.98824	0.4
70.82829	0.3
71.01369	0.3
73.02946	0.9
78.95901	0.4
82.02992	0.7
83.01382	1.0
97.64838	0.3
101.02453	100.0
102.02792	1.3
113.06017	0.2
151.96719	0.2
164.71010	0.2
181.05034	0.3
181.09837	0.6
218.06033	0.2
225.03998	1.5
225.09663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86476	0.6
57.02190	0.6
58.02980	0.7
59.01383	3.8
63.02399	0.8
65.00326	1.0
65.03968	0.8
67.01884	0.8
68.99818	3.8
71.01395	2.1
71.41339	0.7
72.99317	1.1
77.03980	0.8
79.95758	0.6
80.05051	0.9
81.03461	18.4
82.06612	1.2
83.01395	1.0
83.05034	92.0
84.05357	0.9
91.01913	0.7
93.03469	10.3
95.01407	3.6
95.05039	1.3
97.02944	1.4
101.02451	1.9
105.03452	2.1
107.01443	0.8
108.02168	4.1
108.04555	1.4
109.02979	9.6
111.00872	2.1
117.72237	0.6
119.01391	1.4
121.02963	10.8
123.00899	6.4
123.04523	2.5
124.01698	3.1
125.02454	1.5
125.06184	0.9
125.07217	3.8
127.04021	1.2
132.59903	0.7
135.04532	0.8
137.02472	12.3
137.06099	0.8
137.09695	1.9
138.02957	0.9
139.04010	2.2
141.01979	0.7
143.08246	3.5
147.00929	1.6
148.01686	1.7
149.02454	8.1
150.99318	0.7
151.00423	4.1
151.04005	1.3
152.01176	10.9
152.49066	0.7
153.01895	1.4
153.05577	1.1
155.03555	1.0
161.06166	1.7
163.00348	0.7
163.03970	1.0
164.01147	2.4
164.04749	0.8
165.01933	10.2
166.02438	0.9
167.03519	7.3
173.47821	0.7
175.00433	1.1
177.01956	2.3
179.03554	2.4
180.04298	1.3
181.08713	2.4
185.47466	0.6
192.04308	1.1
193.01436	9.8
195.03004	28.5
195.06665	2.2
196.03235	0.8
207.02988	3.3
207.15038	11.5
209.04590	0.7
210.05351	26.2
211.05579	0.8
225.00397	1.5
225.02318	1.8
225.04115	10.7
225.07576	9.2
225.11443	3.2
225.16103	100.0
226.16479	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0558
Annotation	Dithranol
Peak:m/z	Relative Intensity
65.00328	2.5
68.99825	3.1
69.17017	0.6
71.01414	0.7
71.40659	0.6
72.86725	0.6
92.42904	0.6
94.44692	0.6
101.03928	0.7
106.00665	1.0
115.05540	1.7
116.28605	0.8
127.05555	1.6
129.07135	2.8
134.00084	1.5
141.07117	2.7
143.05043	1.1
145.06592	1.0
150.06984	0.7
151.05533	5.0
153.07141	5.3
155.05046	1.8
157.06606	14.4
166.54303	0.6
169.06622	6.0
171.08189	1.7
173.06082	0.7
179.05060	1.2
180.05777	0.6
181.06598	8.9
181.10268	0.6
182.03726	1.5
183.04494	1.6
195.04547	8.8
197.06090	32.8
198.06314	0.9
201.14029	0.7
210.03281	7.8
212.86028	0.7
225.05583	100.0
226.05980	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0559
Annotation	Dithranol
Peak:m/z	Relative Intensity
55.63545	0.4
59.01377	0.5
65.00330	1.0
65.59911	0.3
68.99820	1.9
69.06808	1.2
69.07234	1.1
79.59132	0.3
89.88277	0.4
93.03462	2.0
96.99354	0.6
101.04019	0.4
103.16753	0.3
108.00610	0.3
126.34576	0.3
126.90474	0.4
127.05534	0.5
129.07120	4.3
137.02470	0.6
141.07115	1.7
151.05528	2.2
152.06346	1.2
153.07120	18.6
155.05054	0.7
156.05751	0.4
156.18912	0.3
157.06599	17.7
158.06940	0.7
169.06566	1.7
171.08159	0.7
173.06107	1.0
180.04393	0.4
180.05782	0.8
181.05023	0.6
181.06609	11.1
181.16010	0.5
182.06946	0.5
183.04581	0.4
195.04532	1.0
197.06107	6.9
201.05386	0.3
224.04707	0.6
224.90555	0.6
225.05589	100.0
226.05927	3.8
245.46628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03444	2.3
59.01384	100.0
59.42983	0.4
69.03468	0.5
69.16145	2.7
80.64183	0.5
81.03448	2.3
93.03470	0.9
95.05040	1.8
97.06593	11.2
109.06638	0.8
123.08105	0.5
135.08179	1.9
140.01178	5.6
147.08179	3.6
151.11322	1.6
155.03511	5.3
163.11264	1.0
165.09210	1.9
181.01410	0.6
181.12343	1.8
182.02234	6.4
198.81584	0.5
207.10263	0.8
210.01648	1.3
225.11334	27.4
226.11713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
59.01380	1.8
69.08565	1.5
69.08965	1.9
71.05031	0.7
81.03457	0.7
93.03477	1.3
95.75094	0.6
97.02962	11.4
97.06623	0.8
99.00888	3.9
107.05035	0.5
109.02995	0.6
109.06596	2.8
110.03748	7.0
123.04539	0.6
125.09783	0.8
135.08173	1.8
136.05328	2.2
142.02713	2.7
144.88979	0.6
147.82477	0.6
153.12848	1.0
161.09813	0.9
163.11314	11.4
171.19945	0.5
179.10793	1.0
181.12355	31.3
182.12656	1.2
189.09091	0.6
197.11874	2.0
207.10278	73.0
208.10571	3.5
217.11980	0.5
224.22894	0.5
225.11336	100.0
226.11682	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	225.161
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
54.46365	0.6
58.19574	0.6
78.95920	0.8
80.05042	0.9
81.03465	17.6
82.06630	1.1
83.05033	95.1
84.05370	1.2
98.21840	0.9
104.08783	0.7
107.06183	1.3
108.04572	1.1
125.07226	4.2
143.08282	3.8
195.03081	1.3
207.15036	12.7
225.16098	100.0
226.16440	3.9
232.60991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	1.1
59.01380	1.1
61.98828	1.0
70.14537	0.9
71.02489	0.3
72.00908	1.0
72.99306	0.5
74.02472	2.7
82.02991	1.4
84.04553	4.1
86.02493	0.5
97.04081	0.9
98.02518	0.8
99.05658	0.9
101.02453	0.9
101.07230	2.8
106.89938	0.4
107.02567	0.5
109.04087	8.3
125.03592	4.0
127.05151	27.5
128.03560	9.8
128.05493	0.5
133.72137	0.4
145.06206	100.0
145.09836	1.8
146.06529	1.0
166.03596	1.3
168.01546	11.3
169.01788	0.4
183.00327	0.5
210.02589	10.6
211.02864	0.7
227.00226	0.8
227.03641	0.8
227.06827	0.5
228.03661	0.4
247.63167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70335	1.6
55.89566	1.5
57.01271	1.8
58.02981	23.4
59.01351	2.1
66.03517	1.7
70.02975	2.9
70.73595	2.0
70.73934	1.9
72.00890	1.6
72.04545	2.6
74.02477	15.0
80.05067	2.5
81.03487	1.5
82.02986	7.6
82.06625	2.4
83.01397	6.8
83.05037	2.0
85.04079	3.4
86.06152	3.0
87.05660	2.5
90.62166	1.6
96.04565	22.1
97.04086	17.6
98.02483	12.1
99.05650	50.9
100.00404	4.0
100.65775	1.7
101.02470	2.5
108.04563	22.0
109.04076	6.7
110.02503	4.7
112.04055	21.4
112.07698	32.5
113.03592	13.3
113.55508	1.7
114.05608	20.9
116.07211	1.9
122.04833	2.3
122.06138	8.1
124.04058	15.9
125.03593	5.8
125.04829	14.1
126.04391	4.2
126.05607	9.5
127.05147	27.4
127.08803	6.7
129.05621	1.8
137.07227	10.1
138.05574	3.2
139.04051	2.8
140.07184	34.1
143.04655	5.1
145.06158	3.1
147.70471	1.5
148.01675	2.7
150.04361	2.5
152.03513	4.5
155.08289	50.7
165.01921	4.1
165.06711	36.1
166.05118	4.3
180.04285	4.7
181.06169	4.5
183.07773	52.5
183.11386	17.5
225.05440	1.9
226.80179	2.0
227.06775	100.0
227.10365	10.6
227.14082	23.8
227.16397	2.5
227.20135	11.3
228.07057	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	227.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	28.2
59.57885	1.8
65.00318	1.9
69.62328	6.3
70.02995	2.4
71.05063	2.3
72.04559	2.1
74.02483	15.5
80.05070	2.1
82.02998	3.7
82.06620	3.1
82.91681	2.1
83.01379	7.3
83.05063	2.7
84.04575	2.2
84.65646	1.9
85.04066	4.0
86.06158	3.7
87.05655	4.3
94.06596	1.8
96.04561	37.8
97.04086	28.7
98.02500	15.4
98.06094	2.2
98.21988	3.6
99.05659	60.8
100.00424	7.4
108.04573	25.8
109.02959	1.9
109.04097	4.6
110.02485	5.5
110.06147	1.8
112.04051	26.6
112.07692	31.2
113.03588	16.1
114.05611	9.9
122.06139	11.5
123.05652	2.2
124.04073	16.9
125.03587	7.1
125.04863	14.8
126.04366	4.0
126.05608	9.0
127.05149	31.0
137.02417	3.2
137.07227	12.9
138.05614	5.9
140.07191	38.7
143.04622	6.3
145.06180	9.4
150.04372	4.1
152.03575	4.5
155.08282	60.1
165.06712	46.2
166.05112	5.2
166.07216	2.4
180.04291	2.8
181.06224	4.7
183.07762	62.6
212.06924	2.4
225.05267	3.4
227.06770	100.0
227.14111	9.8
227.16536	1.9
227.20102	13.7
228.07207	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	227.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
71.41641	1.0
72.99298	1.6
81.03442	1.6
84.35861	0.8
109.02968	13.5
123.04550	1.2
137.02455	100.0
138.02766	2.5
145.06142	2.6
152.04805	35.2
165.01672	0.9
183.04320	1.1
183.11380	3.0
184.03757	5.6
197.04579	12.8
212.06912	75.1
213.07237	2.6
227.03552	1.3
227.09181	35.8
227.16382	1.1
227.20114	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	227.1038
Annotation	(S)-ATPA
Peak:m/z	Relative Intensity
58.02966	3.7
59.01382	4.0
68.01403	3.1
71.41602	3.8
82.02975	9.8
83.01383	4.4
84.04561	2.9
96.00933	4.1
97.04080	14.7
98.02493	4.0
99.00903	5.9
99.05652	3.3
99.35285	2.7
109.01707	50.0
109.04041	2.7
110.02505	5.9
112.07673	21.6
112.98837	4.3
113.03589	100.0
114.05631	6.9
114.09250	6.0
118.34232	2.8
126.04365	23.7
127.04189	2.8
127.05140	9.9
128.03572	3.6
136.08780	3.2
137.07166	3.0
138.09241	8.0
140.07191	66.7
141.07512	3.9
145.06203	39.0
149.02435	3.8
155.08278	3.9
156.10313	21.5
166.08768	17.1
167.03481	5.0
167.04793	5.2
168.01491	3.5
180.04265	3.3
183.07832	3.7
183.11392	47.8
210.02541	4.3
210.07724	40.9
212.06877	3.7
216.42941	3.7
227.00159	5.8
227.06863	6.8
227.10504	33.1
227.13998	16.9
227.16420	6.8
227.20190	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	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.71990	0.5
68.75793	0.4
70.08904	0.9
70.09236	0.7
70.18338	0.5
71.05024	0.6
76.56430	0.4
79.95753	0.5
80.02690	1.9
81.03464	1.8
83.05038	6.8
84.02177	3.7
85.16376	0.4
86.30172	0.5
88.89521	0.4
91.39153	0.5
95.05042	1.3
104.39490	0.5
123.10202	0.5
125.06063	0.7
135.08212	1.2
163.11301	6.7
165.12859	4.8
181.12332	1.6
183.00558	0.7
191.10887	1.2
209.11858	100.0
210.12201	3.4
227.03389	1.5
227.12854	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	227.1293
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.20107	0.4
54.59733	0.4
57.03434	0.6
59.01363	0.4
63.80235	0.4
69.37885	1.8
70.75931	0.4
98.22652	0.9
111.00907	0.5
111.08168	0.5
127.00552	0.4
137.48035	0.5
165.12860	18.8
183.04584	0.6
183.13916	100.0
184.14243	2.8
209.11852	2.4
227.03488	1.4
227.07007	0.7
227.12914	15.1
228.13272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35238	0.4
56.76630	0.4
59.01381	0.5
65.00308	0.5
69.03474	0.6
71.05029	0.6
79.95761	0.6
80.02676	2.4
81.03472	1.5
83.01389	0.9
83.05035	7.7
83.29534	0.4
84.02168	3.9
93.03506	0.5
95.05027	1.2
96.11929	0.5
99.05635	0.6
109.06602	0.8
111.00840	0.4
117.03453	0.8
125.06095	1.0
135.08157	1.1
139.11304	0.9
148.33865	0.4
156.34630	0.4
159.04533	0.6
163.11316	6.3
165.12872	5.3
171.04463	0.6
175.40128	0.5
181.12329	0.9
182.73120	0.4
183.04472	0.8
183.13904	0.6
191.10768	1.6
199.13353	1.1
209.11844	100.0
210.12154	3.5
227.03531	3.0
227.06906	1.0
227.12877	4.3
227.16576	0.7
227.20128	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	228.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01918	0.3
56.01346	0.3
59.01384	3.0
61.98835	1.7
74.02474	1.0
78.95898	0.7
82.02978	0.3
82.94624	0.5
84.08213	0.3
87.00875	0.8
101.07234	0.5
108.11769	0.3
112.98834	0.3
113.03653	0.4
128.09573	0.3
130.08754	100.0
131.09103	2.0
135.92111	0.4
137.90958	0.3
141.70589	0.3
145.06181	0.5
154.06212	0.3
154.97583	0.4
210.02592	0.5
210.95566	6.2
212.93483	1.9
218.51660	0.3
228.00359	0.4
228.20587	0.4
228.96635	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	229.0177
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60634	0.4
65.43262	0.4
67.19671	0.4
67.60017	0.5
68.99817	0.5
69.91862	1.2
71.01397	0.7
72.99329	0.5
79.95743	42.4
80.96527	1.3
83.01411	0.8
106.04283	2.4
106.91820	0.4
111.13484	0.3
115.05541	0.4
117.03501	0.5
121.06615	12.9
123.08194	1.3
124.50148	0.5
141.09221	1.0
143.05040	1.4
145.03001	1.0
153.00334	0.4
157.06586	1.1
158.03752	0.4
159.04568	0.7
167.07146	1.0
170.00453	8.2
185.02791	100.0
185.06064	2.4
186.03169	2.5
189.99263	0.8
199.00710	1.2
201.05576	1.4
201.99425	1.3
211.00725	0.9
211.04175	0.4
211.06076	0.8
229.01764	44.2
229.05070	7.1
229.07162	1.3
229.10777	0.9
230.02016	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	229.0506
Annotation	Bis-noryangonin
Peak:m/z	Relative Intensity
52.09179	0.3
55.01874	1.7
65.00329	7.7
68.99821	2.4
69.64514	0.9
79.95756	0.4
83.01394	3.4
88.48727	0.3
96.99326	1.6
98.22009	0.6
101.03969	3.2
105.46500	0.3
106.99881	0.3
115.05559	0.6
117.03575	0.4
119.05034	4.0
127.05562	0.4
131.05101	0.5
143.05037	100.0
144.05389	3.1
145.02965	46.9
146.03302	1.1
149.10223	0.3
155.05066	0.4
157.06609	1.9
159.04556	0.6
171.04538	1.4
173.06120	1.8
185.06091	70.8
186.06441	1.5
187.03976	0.5
190.58006	0.4
201.05630	1.6
220.93185	0.4
229.05116	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	229.0506
Annotation	Bis-noryangonin
Peak:m/z	Relative Intensity
54.57674	1.1
58.24874	1.5
61.85083	1.1
65.00325	8.6
68.99825	25.7
71.40173	1.6
76.35371	1.2
76.44391	1.2
79.95747	1.3
82.00619	1.3
83.01379	7.1
96.99326	15.9
101.03979	4.8
103.05546	2.4
110.00115	2.1
110.44804	1.1
115.05536	8.8
119.05042	5.8
123.21198	1.4
124.98820	1.4
127.05598	2.2
129.07143	1.6
131.05038	23.1
141.07079	4.1
142.99875	2.4
143.05038	88.1
144.05437	2.3
145.02968	54.8
145.06615	3.3
147.04698	1.3
155.05035	3.0
157.06621	12.3
159.04506	1.5
161.06140	1.8
171.04533	13.2
173.06105	16.3
183.04510	1.9
185.06094	55.2
186.06357	1.6
187.04079	1.5
201.05583	93.3
202.05960	2.9
220.20074	1.4
229.05074	100.0
230.05447	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0506
Annotation	Visnagin
Peak:m/z	Relative Intensity
60.18391	0.5
67.01886	2.9
68.99824	4.1
71.41607	0.7
74.02478	2.6
80.77040	0.5
83.01380	4.6
110.99377	0.5
117.03471	22.0
118.03736	0.7
119.05020	0.8
130.08740	0.9
133.03009	0.7
143.05052	2.9
143.11917	3.8
145.02931	3.5
157.06583	1.2
157.34874	0.5
159.04535	1.1
161.02449	5.0
175.27367	0.6
185.02480	1.1
185.06096	14.6
186.06552	0.6
187.04015	34.0
188.04387	1.2
214.02695	1.5
229.05063	100.0
229.11923	1.9
230.05437	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	229.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85624	0.3
58.02979	2.3
59.01397	0.4
70.02986	0.9
70.55694	0.6
72.04546	0.5
73.04076	6.0
78.16130	0.3
82.06634	0.7
83.01399	5.6
88.04044	1.3
89.04388	0.8
95.61545	0.3
97.52750	0.3
98.02489	7.0
98.21961	0.3
109.02959	1.4
114.09236	1.2
115.05148	0.6
117.03491	5.8
126.09257	0.5
130.08752	88.0
131.04970	0.5
131.09094	1.1
141.10333	1.1
142.04276	0.5
143.05022	3.0
143.11914	100.0
144.12273	2.0
145.02971	4.3
157.02934	0.3
159.03336	0.6
159.04539	4.8
185.06100	7.1
185.11366	0.6
185.12970	9.7
187.04080	0.4
187.10913	2.4
201.05521	1.6
211.10901	0.7
229.01572	0.4
229.05093	3.1
229.11952	39.1
230.12254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.28708	0.2
57.03447	1.2
69.58980	0.7
71.05024	0.8
82.59521	0.2
83.05023	0.5
84.02171	0.4
85.02953	0.7
91.08399	0.2
97.06590	0.5
101.06090	0.2
123.08161	0.3
125.09735	3.1
127.11307	4.9
143.05054	0.3
155.14450	1.8
165.12816	1.0
167.14439	2.0
171.10287	4.4
172.10657	0.2
183.13908	1.2
185.06154	0.2
193.12357	0.4
201.14911	0.3
209.11844	3.2
211.13422	7.2
229.14458	100.0
230.14790	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03445	1.5
59.01358	0.2
60.57147	0.2
69.64793	0.2
69.65122	0.9
71.05023	0.7
79.35160	0.2
79.66215	0.3
83.05036	0.6
84.02150	0.5
85.02953	0.9
97.06583	0.6
98.22684	0.2
117.03513	0.3
125.09737	3.8
127.11306	4.5
135.34122	0.2
143.05034	0.2
143.10811	0.2
145.02972	0.2
152.54813	0.2
155.14445	2.2
165.12878	0.7
167.14403	2.0
171.10283	5.0
172.10553	0.2
183.13908	1.3
185.06017	0.4
185.15485	0.2
193.12410	0.2
201.14928	0.3
209.11839	3.2
211.13403	7.3
212.13776	0.4
229.14455	100.0
230.14764	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.26727	0.3
56.08948	0.3
57.03447	1.1
63.18940	0.4
64.30074	0.3
71.05017	0.8
79.95734	0.4
83.05029	0.5
85.02963	1.0
125.09745	2.1
127.11316	4.1
155.14445	1.0
165.12808	0.5
165.62361	0.3
166.85341	0.3
167.14404	2.3
171.10292	4.1
183.13893	1.6
185.06065	0.4
193.12448	0.7
208.51204	0.4
209.11880	2.7
211.13406	9.9
212.13794	0.4
229.05222	0.9
229.14461	100.0
230.14845	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.59813	0.5
54.36768	0.4
57.03459	1.6
59.01386	64.8
59.42389	0.4
66.62599	0.4
70.48846	0.5
71.05031	0.9
83.01430	0.5
84.02209	0.7
85.02946	0.4
99.08114	0.4
102.34000	0.4
117.03506	0.9
125.09748	3.7
127.11329	4.5
136.73759	0.4
139.11324	1.7
143.05096	0.5
155.14455	1.9
165.12859	0.8
167.14438	1.9
169.12375	0.5
171.10403	0.5
173.93335	0.5
183.13878	0.7
185.06119	0.7
185.15437	0.6
209.11842	1.4
211.13403	3.3
229.14465	100.0
230.14824	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	229.1558
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.45596	0.5
59.01381	1.1
69.30723	1.1
69.31125	2.5
71.01390	1.1
82.06630	0.7
86.29220	0.6
87.27273	0.6
97.18214	0.6
114.09248	1.1
115.08783	5.0
119.87189	0.5
130.08751	39.7
131.09082	0.7
143.11989	0.7
157.00688	0.7
170.89459	0.7
183.15016	1.0
185.06010	0.6
185.16608	32.3
186.17006	1.0
229.02832	0.6
229.15582	100.0
230.15912	3.1
231.13080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58344	0.5
70.00552	1.0
70.00892	0.8
74.90482	0.6
79.58670	0.5
82.06625	0.6
82.66273	0.5
88.11930	0.6
94.82838	0.5
98.22717	0.5
102.39347	0.6
107.16166	0.5
114.09257	1.4
115.08789	7.1
130.08757	42.0
131.09135	0.8
185.16618	34.3
186.16931	0.7
229.02608	0.8
229.15598	100.0
230.15892	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	229.1598
Annotation	2-Polyprenylphenol
Peak:m/z	Relative Intensity
57.03453	9.1
59.01388	12.2
69.21424	5.1
69.21817	4.0
75.09109	1.6
83.05038	4.9
93.07104	6.1
97.06606	30.3
103.01540	7.7
105.07129	2.0
107.05053	2.8
109.06590	3.9
111.08167	1.8
112.51953	1.5
117.03491	1.8
119.05028	3.8
119.08681	6.3
121.06617	9.1
123.08170	10.3
123.77303	1.6
132.05734	2.4
145.10236	21.2
147.08246	1.8
147.11845	4.1
170.88403	7.3
171.08154	2.3
174.10574	3.8
185.09741	8.3
199.11235	2.2
211.13329	1.7
211.15015	9.3
213.12878	3.9
214.13707	3.1
227.14537	2.0
229.02596	3.9
229.16026	100.0
230.16039	4.7
239.98848	1.6
242.69539	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	229.1598
Annotation	2-Polyprenylphenol
Peak:m/z	Relative Intensity
57.03469	6.5
59.01383	3.1
59.41917	1.3
63.30423	1.0
63.44722	1.1
64.71680	1.5
71.05011	1.5
78.61782	1.3
83.05023	4.5
93.07102	4.8
97.06612	21.6
107.05032	1.9
109.06591	3.7
119.05062	5.5
119.08714	5.4
120.05871	2.3
121.06614	8.7
121.46982	1.3
123.08147	6.4
132.05858	2.7
135.08188	1.3
137.09827	1.6
145.10245	17.1
147.08153	2.5
147.11838	3.4
159.11839	2.1
161.09755	1.8
174.10603	1.8
185.09763	9.1
185.13258	1.3
211.14926	8.3
213.12947	3.9
214.13663	1.6
227.14491	1.9
229.02580	1.3
229.16010	100.0
230.16309	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	229.1599
Annotation	2-Polyprenylphenol
Peak:m/z	Relative Intensity
55.01901	2.8
57.03450	6.6
59.01383	23.5
64.24787	2.9
69.14610	2.8
69.73505	7.8
69.73855	4.8
83.05064	6.0
93.07109	6.3
95.04974	3.3
97.06608	32.0
103.01518	12.7
109.06588	4.6
111.08144	2.6
117.03473	6.9
119.05009	4.1
119.08670	8.7
121.06595	8.6
123.08183	7.7
132.05836	4.0
133.81726	2.7
143.89064	2.5
145.02936	3.2
145.10242	24.7
147.08218	2.9
154.96341	2.6
156.89467	2.7
170.88312	12.9
185.09785	9.1
203.29216	2.5
211.14922	13.2
214.13588	4.2
228.76019	2.6
229.02596	4.3
229.16023	100.0
229.18314	6.0
230.16208	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	230.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	0.4
61.98836	100.0
69.35368	1.2
72.46905	0.2
72.99348	0.2
74.02477	0.7
79.95741	1.9
82.03011	0.5
84.04568	1.0
88.44605	0.2
92.01930	0.3
94.04104	0.2
98.02525	0.4
101.07224	0.8
109.04061	1.9
125.03589	0.5
127.05150	5.3
128.03552	2.1
131.08290	1.7
145.06210	18.9
146.06615	0.4
173.10474	0.5
212.02940	0.6
230.03946	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	231.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40438	0.4
59.84296	0.5
66.61897	0.4
66.92910	0.4
68.87922	0.4
69.33747	0.9
69.34159	1.4
81.03465	100.0
81.76237	0.4
82.03804	1.7
86.33488	0.5
95.79453	0.4
99.96896	0.4
112.05907	0.4
172.05174	0.6
187.07671	0.5
216.42871	0.4
216.46111	0.4
231.03018	0.9
231.06656	6.1
248.29924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0664
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
57.03428	1.5
66.86827	1.2
67.01888	4.2
69.87783	4.2
76.11324	1.2
81.03461	74.5
83.01406	9.3
83.01817	1.5
109.02968	4.2
112.54802	1.3
117.03465	4.4
117.07119	1.9
127.05583	1.6
130.04256	3.2
141.07092	3.8
143.05034	4.5
145.05515	2.7
145.06607	39.2
154.04280	2.9
169.06609	14.9
172.05310	99.2
173.05611	1.5
180.05521	1.3
185.06140	1.6
187.07651	100.0
188.07997	3.8
231.06653	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	231.0663
Annotation	Ancistronaphthoic acid A
Peak:m/z	Relative Intensity
59.01377	0.7
69.55305	0.9
69.55694	0.8
81.03463	100.0
82.03804	1.4
83.01397	0.5
85.30927	0.4
98.21893	0.4
117.03442	0.4
118.39451	0.3
120.48858	0.4
125.02444	0.8
158.04309	0.4
166.25972	0.4
171.04599	1.0
172.05315	1.2
187.07709	1.5
231.03099	0.6
231.06702	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	231.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	4.3
59.01380	8.4
61.98834	12.2
69.84294	2.0
71.01392	2.4
72.00951	1.2
72.99311	7.7
73.02963	1.3
73.04092	2.0
74.02483	22.7
78.95913	13.9
82.06638	1.7
84.04560	1.6
88.04051	100.0
89.04395	1.6
90.63235	0.8
96.96956	1.5
97.14332	1.1
97.75257	0.9
98.01878	1.7
98.02481	15.4
101.07217	70.0
102.05619	1.1
110.02444	1.2
112.04105	1.5
114.60727	1.1
115.05155	1.0
116.07187	6.5
126.09261	1.3
127.08759	1.4
128.03456	0.9
130.08762	1.4
131.08284	17.9
131.09177	2.0
132.98219	3.4
134.04735	2.9
140.82707	1.0
141.10402	2.3
143.08293	5.8
143.11920	13.4
145.06218	4.2
147.96600	3.1
156.91318	1.4
167.36378	1.0
169.09846	4.3
170.89392	3.1
171.01520	1.8
173.10435	8.3
184.01321	1.2
187.07272	67.9
187.10884	31.0
188.07515	1.5
188.97177	5.8
212.95200	2.1
213.08884	2.0
214.02460	7.8
214.93343	1.1
230.95702	1.9
231.03624	1.3
231.06461	1.1
231.09891	3.5
231.13579	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	231.1352
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.05967	0.5
59.01388	4.0
70.48785	1.3
72.99320	1.2
73.04080	13.6
77.34028	0.6
78.95928	2.9
88.04031	0.7
114.00208	0.8
114.09272	1.2
118.99300	0.6
130.08762	89.1
131.08278	2.8
131.09128	1.4
141.10426	0.7
143.03644	1.5
143.11917	25.4
164.07233	1.1
170.89453	1.6
173.10497	1.7
187.10910	100.0
188.11238	2.7
188.97273	1.0
231.01595	1.0
231.08786	1.2
231.13528	20.5
232.13693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1603
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
52.76006	0.3
57.03454	1.6
57.31613	0.3
69.03402	0.3
69.55728	0.5
69.56102	1.0
87.04515	0.3
94.11658	0.3
114.68845	0.2
117.03460	0.3
125.09713	0.4
127.11288	2.5
132.56165	0.3
133.02985	0.5
133.52257	0.3
155.14423	0.7
159.87135	0.3
167.14429	0.3
171.10291	5.1
183.13910	0.4
185.15578	0.4
190.52235	0.3
195.13983	0.5
203.03510	0.6
213.14966	4.5
229.14435	3.4
231.16028	100.0
232.16388	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	232.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08176	0.5
53.60516	0.6
54.07214	0.5
57.69543	0.4
58.76260	0.4
59.01384	23.9
61.96193	0.6
63.78189	0.6
71.01387	7.1
71.92667	0.4
85.06598	21.6
88.04050	100.0
89.04380	0.7
97.38905	0.6
113.06107	4.3
130.08742	1.8
134.04764	0.5
143.07166	0.7
160.09811	19.9
188.98599	1.7
232.06631	1.1
232.11893	13.0
232.97572	0.8
233.10365	1.0
233.15494	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	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11970	0.5
56.52741	0.5
59.01384	9.4
67.01894	0.7
69.55624	1.8
69.56030	1.3
71.01385	2.0
71.52232	0.6
72.00909	0.6
74.02467	2.2
78.95911	65.6
85.02963	0.8
87.05645	4.0
92.29440	0.5
95.48673	0.6
96.96018	47.9
96.96968	100.0
99.00900	2.8
99.05647	2.9
104.03548	1.4
111.00894	0.6
119.63798	0.6
126.48579	0.5
129.01945	1.5
129.06754	0.8
131.08307	0.8
132.04150	0.7
141.06721	1.5
145.00887	6.8
160.89217	0.6
161.00403	1.3
173.05748	3.6
188.99907	4.9
203.06767	1.9
214.89243	1.2
224.32051	0.6
232.98940	4.7
233.07764	1.8
233.15474	40.4
234.15823	1.6
241.23846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0456
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
59.01384	7.9
69.43400	1.6
71.01367	1.3
74.10702	0.5
77.54810	0.4
79.05144	0.4
83.01359	0.7
87.00883	0.5
89.13033	0.4
91.05540	22.3
98.00056	0.4
100.78925	0.4
101.03979	0.9
111.00839	0.4
115.05547	5.3
117.03473	31.5
118.03810	0.9
119.05053	2.9
131.05038	10.2
132.05315	0.5
133.06606	41.8
134.06923	0.9
143.05017	0.6
145.06569	1.1
147.04486	1.5
149.02417	0.6
159.04625	0.8
161.06087	13.8
171.04538	0.6
189.05577	100.0
190.05922	4.3
226.86627	0.5
233.04549	7.2
233.15475	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	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96720	0.7
60.97528	0.4
66.67683	0.3
69.03522	0.3
69.16455	1.0
69.16877	1.0
74.99073	9.0
74.99471	0.6
91.02196	0.8
93.00146	2.6
117.98653	0.3
118.96285	1.4
134.98419	0.6
134.99409	8.0
136.97345	2.3
141.07449	0.8
143.05367	0.7
149.00970	73.7
150.00897	2.6
150.98883	0.9
159.08501	1.8
161.06403	3.6
201.04074	0.5
215.05621	1.7
217.07233	100.0
218.07375	4.8
233.10367	94.1
233.15375	13.2
234.10497	5.2
234.15768	0.4
235.08620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1501
Annotation	Huperzine W
Peak:m/z	Relative Intensity
52.76950	0.5
70.09160	1.0
70.09486	0.5
78.76280	0.5
95.51495	0.6
207.13828	0.6
218.11847	1.8
219.12621	1.4
234.14995	100.0
235.15305	4.4
251.11659	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	235.0613
Annotation	STELLATIN
Peak:m/z	Relative Intensity
59.01384	2.0
60.83914	0.6
62.96410	2.2
71.41714	1.0
73.78656	0.7
91.52407	0.6
93.03494	4.6
106.04253	1.9
108.02168	0.8
109.02991	1.2
120.02187	1.5
121.02973	2.5
122.03792	1.2
131.51718	0.7
133.02989	1.7
134.03763	7.9
135.04550	0.9
137.02481	1.9
142.50896	0.9
149.02455	1.1
150.03188	1.4
151.04079	1.4
161.02504	3.8
162.03246	79.4
163.04031	33.7
165.26649	0.7
176.04822	6.1
177.01935	9.3
178.02750	7.6
190.02704	8.5
191.03473	7.7
192.04323	6.6
202.02754	1.2
205.05122	2.4
207.06636	0.9
217.05116	2.5
219.02977	1.0
220.03789	41.4
221.04109	1.5
233.04544	1.1
235.06137	100.0
236.06535	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	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46052	0.5
82.43597	0.3
89.58832	0.2
106.17876	0.3
106.75151	0.2
120.05806	0.3
134.03745	0.7
135.04510	0.4
136.05309	0.6
147.40842	0.3
148.04114	0.5
148.05319	9.2
149.06125	0.4
149.09750	1.5
162.06891	0.6
175.07649	0.3
176.08435	0.9
177.09227	45.0
178.09576	1.6
190.10031	1.7
191.10760	0.9
192.11580	32.4
193.11992	1.5
195.13019	0.2
195.58487	0.2
201.09192	0.4
203.07167	0.7
209.19266	0.2
217.08705	3.0
218.09494	9.4
219.09923	0.4
221.08112	0.3
236.10561	100.0
237.10876	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	237.0559
Annotation	Primuliten
Peak:m/z	Relative Intensity
51.47446	0.2
69.36204	0.4
69.36613	0.8
77.31477	0.2
117.03478	100.0
118.03825	1.7
120.75903	0.2
184.40135	0.2
193.06615	0.6
209.06070	1.1
219.04541	0.3
237.05585	99.6
238.05907	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	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
56.85321	0.7
57.03441	1.7
58.68150	0.7
59.01392	2.1
62.87295	0.8
63.87399	0.7
71.39639	0.9
75.00883	1.1
78.95907	5.7
85.02947	1.3
87.00884	100.0
88.01253	1.2
94.92516	1.4
102.68604	0.8
103.93308	0.7
121.16039	0.8
129.01941	9.3
200.97655	0.9
218.86890	1.9
219.05057	1.0
222.26381	0.9
237.06168	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	238.0045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70750	1.6
59.01381	4.6
70.77746	1.9
72.00905	12.9
78.95898	10.8
87.00860	2.1
88.62082	1.6
91.05538	2.3
93.39826	1.7
98.18366	1.6
114.05609	4.8
115.41541	2.0
119.58586	2.0
138.05629	2.7
147.04526	39.5
164.07173	100.0
165.07553	3.1
178.05103	5.8
228.85623	1.8
238.07123	8.0
249.62997	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	238.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.2
71.01393	10.0
71.31366	2.1
72.99313	22.2
73.29683	1.2
78.95900	5.1
79.81403	1.2
80.96478	2.6
92.05065	15.7
99.00881	3.3
116.05117	2.0
118.06643	3.6
120.04563	22.5
128.05081	20.9
130.06641	100.0
131.03772	10.7
131.06975	2.8
144.04587	3.4
146.06133	43.2
148.04057	15.0
148.07693	2.9
158.06114	16.0
162.05585	1.4
172.04013	2.3
174.05595	4.9
176.07185	33.9
196.73987	1.3
210.07709	8.0
220.06145	36.5
221.06409	2.0
223.02890	2.6
224.00992	1.5
238.07228	60.4
239.07509	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	239.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15297	0.3
65.00330	76.4
66.00673	0.9
70.84831	0.4
84.11304	0.4
85.09151	0.3
91.17038	0.4
92.99828	3.4
101.03973	2.7
108.99339	2.4
110.81307	0.3
115.05553	0.6
136.98817	54.0
137.99121	1.1
139.05545	5.5
143.05038	8.2
145.02963	1.9
167.05029	2.8
171.04524	1.6
183.04532	1.4
209.96335	0.3
211.04002	5.9
221.33090	0.4
223.02844	1.2
239.03503	100.0
240.03879	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	239.0351
Annotation	Danthron
Peak:m/z	Relative Intensity
56.28833	0.3
65.00328	73.2
70.53037	0.6
70.53359	0.5
80.02534	0.3
92.99820	3.8
101.03976	2.3
108.99319	3.1
113.45166	0.4
115.05573	0.4
120.32650	0.4
127.05590	0.5
136.98817	53.6
137.99176	1.0
139.05536	3.8
143.05049	9.0
145.02960	1.7
167.04991	2.2
171.04567	1.5
181.07707	0.5
183.04544	0.9
195.04515	1.0
208.08638	0.4
211.04015	8.1
239.03510	100.0
240.03836	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	239.0352
Annotation	Anthrafravic acid
Peak:m/z	Relative Intensity
59.24981	0.4
65.00332	41.6
66.00670	0.7
68.99819	1.7
70.27708	0.4
92.99830	11.4
101.03970	2.7
108.99319	1.4
113.83944	0.3
115.05547	0.4
117.03479	0.4
127.05543	0.5
136.98822	34.3
137.99191	0.7
139.05573	2.9
141.03485	1.0
143.05043	5.2
145.02972	40.2
146.03304	1.2
159.59616	0.3
167.05035	4.1
171.04547	16.3
172.04788	0.6
183.04523	1.0
195.04500	1.3
198.03203	0.5
205.80843	0.3
211.04028	7.7
212.04446	0.3
214.54381	0.3
239.03516	100.0
240.03906	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	239.0352
Annotation	Anthrafravic acid
Peak:m/z	Relative Intensity
59.29506	0.4
65.00329	75.4
66.00666	0.7
69.16020	1.7
69.16423	0.8
77.80942	0.4
92.99836	3.0
101.03969	2.9
108.99297	2.4
115.05518	0.9
127.05549	0.5
136.98816	52.8
137.99141	1.1
139.05556	5.3
143.05042	9.3
145.02974	1.6
167.05040	1.9
171.04536	1.7
183.04558	1.1
195.04572	0.6
211.04039	6.0
223.02820	0.6
239.03505	100.0
240.03824	3.9
250.31976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96721	0.8
63.18742	0.4
65.00329	53.9
66.00661	0.6
69.04987	3.1
74.99078	12.9
91.02220	9.0
92.99696	0.6
93.00134	2.5
101.03970	1.8
108.99315	2.1
115.05567	0.8
136.98819	34.2
139.05573	2.8
141.62654	0.4
143.05042	6.1
145.02994	1.0
149.00954	6.4
161.14088	0.4
166.58577	0.4
167.05019	2.0
171.04576	1.9
183.04503	0.8
193.34821	0.4
195.04527	0.7
206.99776	3.8
211.04030	5.0
211.10162	0.4
223.02853	100.0
224.02881	4.5
225.00760	0.4
239.03519	67.6
240.03865	2.7
240.06396	0.8
241.03893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0716
Annotation	4'-hydroxyflavanone
Peak:m/z	Relative Intensity
53.29123	0.2
57.18567	0.2
59.01380	0.2
61.76431	0.2
68.99259	0.2
69.54902	0.6
69.55319	0.3
81.44222	0.2
85.02967	0.4
88.04195	0.2
93.03459	1.5
96.20761	0.2
97.02864	0.2
98.22720	0.1
119.05039	100.0
120.05371	2.3
121.03042	0.2
123.08199	0.2
135.45169	0.2
145.02977	0.3
147.14809	0.2
177.12856	0.3
181.08832	0.2
195.08168	2.1
195.13933	0.4
221.11815	0.7
223.02823	1.0
239.07166	21.3
239.12888	0.8
239.16536	0.6
240.07582	0.9
254.31808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0927
Annotation	CMPF
Peak:m/z	Relative Intensity
59.01387	100.0
60.01726	0.5
69.24612	2.8
71.76914	0.6
81.03484	2.5
83.05028	1.1
85.02976	1.5
91.41414	0.6
93.03471	0.7
93.89466	0.6
95.05050	2.4
96.96050	1.8
97.06615	2.6
99.00893	0.6
107.05112	0.5
109.06618	2.7
119.05051	2.9
123.04564	1.0
133.10233	1.0
135.04576	0.8
135.08168	2.8
141.05585	10.5
151.11322	3.5
157.08714	1.4
167.03494	0.8
177.09258	3.2
179.05659	0.8
179.07159	1.2
195.05609	0.7
195.10281	28.3
196.10519	1.5
221.08255	1.1
223.02820	3.2
239.07437	1.0
239.09282	25.6
240.09497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79472	0.5
65.00335	11.5
69.69630	2.4
69.82739	0.7
71.20756	0.6
95.05018	1.5
101.06091	6.5
105.67530	0.7
108.99313	0.6
109.06595	5.1
111.08183	4.6
125.09690	1.0
136.98808	9.9
138.06883	2.9
139.04025	12.6
139.05251	0.7
139.05580	0.8
143.04959	1.6
151.11259	0.6
154.06369	31.9
155.06699	0.8
165.12946	0.6
167.14442	9.8
179.10785	4.3
182.05852	3.3
195.13908	100.0
196.14301	3.8
205.81647	0.5
211.03996	0.7
223.02853	1.0
239.03487	17.9
239.12921	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	240.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.4
60.97509	0.9
62.96418	10.5
69.04586	10.1
71.10847	1.3
72.97540	20.2
77.09550	0.8
78.95914	49.2
88.97034	2.5
90.54713	0.9
100.50668	0.8
104.01775	100.0
105.02090	1.0
105.26301	0.8
106.06680	1.0
109.04067	2.0
125.20479	0.9
126.01178	5.9
127.05156	11.5
129.10349	1.5
130.54823	1.0
153.03253	3.4
165.97304	9.9
181.00975	2.0
183.98389	3.6
196.06134	1.5
209.00433	11.4
222.12561	2.8
223.02596	1.3
240.04666	43.0
240.13560	6.1
241.10873	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	241.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76097	4.9
59.01379	15.6
61.98840	6.7
62.56292	4.9
69.53057	20.9
71.01400	12.1
72.99314	8.1
73.02952	5.7
78.95911	100.0
82.02991	6.8
83.01400	10.4
87.00890	11.5
92.80458	4.4
92.92850	6.4
96.96976	32.7
98.22676	5.9
99.00903	32.9
100.39017	5.2
105.01928	11.5
109.04086	15.8
111.00899	10.9
112.98811	42.3
113.07225	17.3
115.00391	8.5
126.02064	5.5
129.01915	7.3
135.04546	7.8
142.99869	41.5
154.08574	4.9
168.02779	5.3
173.00945	45.3
184.31602	5.0
197.09436	8.7
205.03558	16.6
208.98689	5.8
223.02469	7.0
240.97569	5.3
241.01210	66.4
241.08376	7.0
252.30202	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	241.0124
Annotation	6-Deoxy-5-ketofructose 1-phosphate
Peak:m/z	Relative Intensity
54.76097	4.9
59.01379	15.6
61.98840	6.7
62.56292	4.9
69.53057	20.9
71.01400	12.1
72.99314	8.1
73.02952	5.7
78.95911	100.0
82.02991	6.8
83.01400	10.4
87.00890	11.5
92.80458	4.4
92.92850	6.4
96.96976	32.7
98.22676	5.9
99.00903	32.9
100.39017	5.2
105.01928	11.5
109.04086	15.8
111.00899	10.9
112.98811	42.3
113.07225	17.3
115.00391	8.5
126.02064	5.5
129.01915	7.3
135.04546	7.8
142.99869	41.5
154.08574	4.9
168.02779	5.3
173.00945	45.3
184.31602	5.0
197.09436	8.7
205.03558	16.6
208.98689	5.8
223.02469	7.0
240.97569	5.3
241.01210	66.4
241.08376	7.0
252.30202	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	241.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19506	2.9
57.45761	2.7
59.01381	12.3
64.79099	3.0
67.99558	2.8
71.16747	3.0
75.00896	3.9
78.95914	100.0
83.01411	3.7
87.00909	5.9
92.92794	4.5
96.48079	3.1
96.96986	20.6
99.00890	11.4
105.01980	3.9
109.04070	3.3
111.00912	4.1
112.98815	11.7
113.07224	5.6
129.01979	4.1
131.08250	4.1
142.99892	10.5
168.02823	6.7
168.04236	3.7
173.00943	12.2
173.10455	3.4
180.95880	5.4
187.97919	5.6
205.03513	3.4
205.98941	5.2
240.85851	3.2
240.97574	4.4
241.01202	50.5
241.21878	4.2
242.07985	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	241.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01363	1.5
61.11645	0.5
61.63562	0.5
65.00333	8.6
69.47182	2.5
79.95746	1.9
80.96526	0.8
97.06612	0.6
100.34837	0.5
109.06588	0.6
111.99611	100.0
112.99934	1.5
117.03445	1.0
121.83342	0.5
136.98816	6.6
141.03435	0.6
153.09251	2.2
155.98611	9.2
161.02452	8.9
167.03831	4.6
168.04242	0.6
169.05363	8.5
169.06628	0.8
171.04541	3.8
179.10840	0.6
197.02632	1.0
197.06126	1.4
197.08154	1.2
197.11856	1.2
198.03229	1.7
199.04057	0.8
213.05641	1.0
223.04272	1.2
226.06470	0.6
240.98108	2.7
241.01820	4.0
241.05310	12.3
241.07262	1.0
241.10878	2.5
241.18050	0.6
241.21704	1.2
242.02257	3.0
242.04901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	100.0
66.00661	1.2
67.01905	0.1
68.99820	2.9
82.42500	0.1
83.01405	0.4
91.01894	0.3
92.99832	0.7
95.01421	0.1
101.03963	0.6
103.05521	0.1
108.99319	3.1
111.00883	0.1
115.05539	0.2
117.03482	0.3
117.04265	0.1
117.07089	0.2
127.05548	1.3
130.04248	0.2
131.05055	0.6
136.98816	47.8
137.99153	0.7
141.07120	1.0
143.05037	1.5
145.06596	1.5
146.06953	0.1
153.07100	0.1
155.05057	0.4
161.02446	0.1
167.04994	0.1
169.06612	1.8
171.04529	7.6
172.04926	0.2
173.06079	2.6
185.06093	0.7
195.04445	0.1
196.05284	0.1
197.06090	3.1
198.03241	0.2
198.06473	0.1
199.04018	6.3
200.04414	0.2
213.05579	3.5
214.05882	0.2
223.04016	0.2
241.05080	13.9
242.02170	0.3
242.05336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49987	0.5
65.00329	77.7
66.00659	1.4
68.99825	6.2
69.46079	1.1
69.46463	1.5
73.75362	0.5
90.09158	0.6
90.51445	0.5
92.16412	0.6
92.62332	0.6
95.01402	1.2
101.03961	1.6
108.99319	4.0
127.05567	2.0
129.74712	0.6
136.98816	55.4
137.99179	0.9
141.07101	2.6
143.05037	3.6
145.06598	1.3
155.05067	0.7
158.32274	0.6
166.08727	0.6
169.06619	7.7
171.04538	29.5
172.04886	0.8
173.06116	0.9
185.06136	0.9
195.04526	1.3
197.06126	4.5
199.04019	6.7
213.05574	6.7
241.05078	100.0
242.05418	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	241.0508
Annotation	Moracin M
Peak:m/z	Relative Intensity
56.43884	0.1
59.23973	0.1
62.44475	0.1
65.00330	100.0
66.00663	1.3
67.01907	0.1
68.99822	1.4
69.52124	0.5
69.73543	0.1
83.01361	0.2
93.03464	0.2
95.01389	0.2
101.03951	0.6
108.99326	3.5
115.05576	0.4
117.03491	0.2
117.07129	0.2
120.41107	0.1
127.05564	1.0
130.04286	0.2
131.05019	0.2
135.04556	0.2
136.98817	85.4
137.99158	1.1
141.07114	0.8
142.81105	0.1
143.05038	1.7
145.02948	0.2
145.06618	0.9
150.03209	0.2
155.04994	0.2
157.02927	0.1
169.06606	1.8
171.04535	7.8
172.04927	0.1
185.06085	1.7
189.05600	0.2
196.05054	0.1
197.06104	1.1
199.04021	8.6
200.04407	0.3
213.05589	5.0
214.06000	0.2
229.18382	0.1
241.05081	34.6
242.05440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27534	0.5
63.61833	0.6
64.55619	0.5
65.00330	100.0
66.00656	0.7
68.99821	6.0
70.16373	1.2
95.01396	1.5
98.22558	0.8
101.03977	2.4
108.99339	4.5
117.03506	2.3
123.00888	5.5
127.05543	3.0
136.98817	67.1
137.99161	0.7
139.05627	0.5
141.07111	3.0
143.05045	3.9
144.24812	0.5
145.06621	1.6
146.49998	0.5
151.05562	1.1
155.05086	0.6
167.04921	0.7
169.06596	12.4
169.08003	0.8
171.04530	33.2
173.06046	2.8
185.06044	1.4
195.04556	0.7
197.06090	11.4
199.04008	9.0
213.05583	8.4
217.05099	1.6
241.05083	75.0
242.05701	4.4
260.32639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21133	0.5
65.00330	85.6
66.00678	0.9
68.99823	7.0
69.95296	0.5
69.95604	0.9
101.03990	2.1
108.99316	3.7
117.03479	0.9
122.00163	0.6
127.05547	1.3
131.90286	0.5
136.98822	56.6
137.99156	1.5
141.07092	2.7
143.05052	2.0
145.06671	0.9
149.99620	0.9
151.05534	0.6
155.05058	0.7
169.06615	7.4
171.04538	26.0
173.06085	0.9
185.06110	0.9
195.04501	0.6
196.75801	0.5
197.06056	3.2
199.04037	6.7
213.05592	4.6
215.88057	0.6
241.05086	100.0
242.05431	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	241.0508
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
60.06660	0.6
65.00330	100.0
65.99833	0.8
66.00668	1.4
68.99828	6.4
70.16930	1.2
70.17263	0.6
79.95771	0.7
101.03974	2.0
108.99312	3.4
109.95451	0.6
110.02503	2.6
117.03482	1.8
122.02482	0.6
123.00922	2.8
123.03278	3.5
127.05573	1.7
136.00418	1.8
136.98814	63.4
137.99207	1.1
141.07147	2.3
143.05061	2.5
145.06619	1.9
150.01988	4.9
151.02751	2.0
151.05641	0.9
155.02303	0.8
155.05049	0.9
169.06604	11.4
171.04530	29.5
173.06085	4.0
185.06197	1.0
197.06113	15.9
199.04030	7.5
213.05618	6.5
217.05031	1.9
224.07358	0.7
241.05101	41.5
241.07335	2.9
242.05727	1.3
242.08229	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	241.0508
Annotation	Moracin M
Peak:m/z	Relative Intensity
50.27085	0.4
55.99197	0.4
57.78409	0.4
58.73104	0.4
58.91366	0.4
65.00328	100.0
66.00674	0.7
68.99806	2.5
76.87472	0.5
101.03964	0.9
105.90457	0.5
108.99317	3.7
111.00710	0.4
112.40273	0.5
117.03455	0.5
127.05531	1.3
136.98814	79.6
137.99164	1.6
138.55383	0.4
141.07114	1.6
143.05013	2.9
145.06586	1.3
146.73331	0.5
151.87532	0.5
157.06578	0.5
169.06630	2.5
171.04536	10.9
173.06062	0.5
185.06003	0.8
189.87306	0.5
197.04349	0.4
197.06036	2.0
199.04010	7.2
200.12057	0.5
202.99568	0.4
213.05591	7.0
241.05075	37.4
241.08804	1.2
241.18080	0.4
241.21716	0.5
242.05377	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	242.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31182	4.2
59.49736	4.9
61.98835	51.7
69.66862	11.4
78.95914	100.0
92.92808	10.3
94.92532	8.8
95.99651	3.8
96.00912	5.2
100.04075	8.1
100.51048	3.9
110.02490	10.4
146.51140	4.9
152.99635	11.0
158.04637	5.3
168.02815	38.0
168.04338	28.7
190.88898	4.2
193.48299	5.1
209.76768	4.6
242.07904	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0298
Annotation	1,2,5-Trihydroxyxanthone
Peak:m/z	Relative Intensity
65.00323	3.7
66.00654	0.6
67.01885	0.5
68.99825	1.9
76.98781	0.5
83.01395	1.5
93.03482	0.5
95.01376	0.7
96.99338	1.4
99.00883	13.3
111.00866	3.1
111.05920	0.5
111.94462	0.4
111.95226	0.5
113.04002	1.1
115.05556	1.1
117.03477	83.2
118.03814	2.1
119.05090	0.5
123.00900	18.2
124.01684	4.8
129.03468	0.6
131.05025	1.0
141.03465	6.5
142.99814	0.5
143.05038	11.1
143.06097	1.0
145.03008	0.8
145.06631	0.5
152.01157	2.1
157.02968	1.3
157.06590	1.1
158.89807	0.5
159.04535	1.5
161.02423	1.4
169.02968	15.5
170.03537	0.5
171.04544	7.4
173.06075	6.5
174.55800	0.5
175.03946	0.9
185.02449	15.9
186.02798	0.7
187.03990	2.2
199.04041	1.2
215.03537	1.9
215.06978	0.6
228.82645	0.5
243.02997	100.0
243.06595	19.7
243.71809	0.5
244.03346	3.7
244.06979	0.6
258.88144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0297
Annotation	1,3,5-Trihydroxyxanthone
Peak:m/z	Relative Intensity
50.49746	0.3
51.02370	0.8
56.21046	0.3
59.01384	0.6
65.00307	0.7
67.01891	0.6
69.03460	0.4
69.54768	1.1
69.55162	0.7
72.99303	0.4
79.95743	3.3
80.96516	1.0
84.07189	0.3
88.04060	0.4
93.03469	2.3
94.98649	0.4
95.01384	0.4
100.00366	0.4
100.89825	0.3
101.03967	0.5
109.01702	0.4
113.99308	0.6
115.05517	0.6
117.03451	0.6
119.05029	1.2
124.01711	0.4
127.05562	0.5
129.03452	0.4
130.04268	0.7
131.05058	0.8
133.02927	0.9
137.09705	0.6
138.01985	0.6
142.04242	0.4
143.05031	5.8
144.02226	1.0
145.02969	5.3
145.06601	0.4
147.04515	3.5
153.03439	0.8
153.09206	0.4
154.04227	0.7
155.05028	3.1
155.10768	1.0
157.02945	1.3
158.03711	0.8
159.04491	0.9
160.01678	0.6
161.02420	0.6
169.02991	0.7
170.03773	0.5
171.04530	22.8
172.01706	0.6
172.04900	0.6
173.02449	14.5
173.06155	0.5
174.03156	1.0
175.04028	6.6
182.03763	0.8
185.02449	0.8
186.03218	7.5
187.03940	3.6
196.49620	0.4
197.02454	3.4
198.03230	32.8
199.04005	29.6
199.07770	0.7
199.09775	0.8
200.01154	6.5
200.04341	1.1
201.01941	16.5
202.02180	0.5
204.00734	0.7
213.02089	0.4
214.02689	1.1
215.03522	12.7
215.06863	0.6
225.01895	0.9
225.07674	0.7
226.02766	3.1
228.00810	0.3
242.02231	79.4
243.02968	100.0
243.06445	4.7
243.08711	2.3
244.03290	3.9
248.81216	0.3
252.67879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0625
Annotation	Spongouridine
Peak:m/z	Relative Intensity
57.03441	0.9
59.01383	3.5
61.98832	3.8
66.03493	15.2
68.01407	2.1
70.05402	1.7
71.01394	4.5
71.88820	0.6
72.00886	0.9
72.99321	1.3
73.02960	1.9
74.02476	2.0
74.35124	0.7
76.21796	0.6
78.75770	0.6
78.95901	3.8
79.64334	0.7
80.96508	1.5
82.02994	35.0
82.14270	0.7
83.01392	2.0
83.03345	0.6
84.04556	2.7
87.00883	9.6
88.04044	1.7
89.02441	1.5
92.92794	2.4
93.03470	1.2
94.02995	2.9
94.92507	1.2
96.00935	1.1
96.04548	2.7
96.96942	0.9
98.02477	1.1
98.06117	0.8
99.00877	4.6
100.04015	1.1
101.02454	1.4
104.03498	0.8
108.04577	2.0
109.04079	3.2
110.02491	100.0
110.06101	1.1
111.00896	1.5
111.02038	7.4
111.02760	1.5
111.04505	0.8
112.04082	2.1
112.07643	1.1
112.98808	6.2
113.03580	1.9
114.05634	1.1
115.00336	1.2
115.08796	1.0
116.07188	1.8
117.01937	4.3
120.04584	1.0
122.02501	7.6
124.04063	4.0
125.00095	2.0
127.05170	6.9
128.03551	4.2
129.01987	0.9
129.10352	1.2
131.04584	1.1
132.03053	2.5
134.28477	0.7
138.02017	0.8
138.92058	0.9
140.03555	12.7
142.99857	4.4
145.01433	1.0
145.05115	2.2
145.06198	29.2
146.04535	0.8
152.02313	0.9
152.03543	17.9
152.04706	1.5
153.03072	15.7
153.04216	1.3
166.99693	1.3
168.02650	0.9
169.98550	1.4
173.00926	4.8
182.04549	1.1
182.13124	0.7
183.04181	0.9
200.05663	37.6
201.05981	0.9
205.03635	1.9
225.01791	0.8
226.12064	1.3
231.90347	0.8
243.02716	3.2
243.06258	22.4
243.08794	1.0
243.10017	1.6
244.06630	1.7
244.09137	0.7
244.13094	2.3
244.16777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0624
Annotation	Uridine
Peak:m/z	Relative Intensity
59.14352	0.7
66.03492	13.4
66.20108	0.7
68.01427	2.6
70.74524	1.3
71.01373	1.3
79.99097	0.7
82.02991	31.8
83.01400	1.8
94.02991	3.1
96.04573	1.9
108.04563	3.3
110.02491	100.0
111.02004	6.3
111.02814	2.0
117.01958	2.3
122.02503	8.3
124.04057	3.1
130.33990	0.7
140.03557	10.8
152.03549	18.0
153.03065	9.9
182.04501	0.8
183.01534	0.9
200.05661	40.1
243.06226	25.4
244.06569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0663
Annotation	2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
50.82458	0.3
60.03348	0.3
65.00330	14.8
66.00663	0.6
67.01884	1.0
69.16624	1.6
78.47543	0.3
80.02695	1.1
80.75068	0.4
82.00634	0.7
83.01394	3.1
93.03468	0.6
95.01392	1.0
98.22603	0.8
108.99329	0.5
110.00076	0.7
111.00894	13.1
119.04974	0.3
123.00888	1.0
124.01673	38.6
125.01979	0.6
130.04263	0.5
131.05057	1.7
136.98833	4.5
143.05049	0.8
145.06610	2.0
147.04500	0.4
152.01164	16.2
152.69887	0.4
153.01486	0.5
153.07085	0.9
155.05058	0.6
156.00671	2.3
157.06598	2.1
169.06621	0.4
171.04512	1.8
171.08124	2.0
173.06094	22.3
174.06442	0.8
181.06593	1.4
197.06134	0.6
198.03188	1.1
199.03954	1.8
199.07733	1.1
201.01965	0.9
201.05594	1.1
215.03529	0.6
215.07115	0.6
225.05597	4.1
242.02248	4.1
243.03127	4.9
243.06633	100.0
244.06976	5.1
245.53741	0.3
259.61487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0661
Annotation	2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
52.31802	0.3
59.01371	0.5
61.10854	0.3
64.03651	0.3
65.00328	15.3
65.25641	0.3
67.01891	0.9
69.91519	0.3
70.24051	0.5
70.24441	0.4
70.99918	0.3
71.30331	0.2
77.13866	0.3
80.02686	1.0
83.01382	1.8
87.00887	0.4
90.98731	0.3
95.01398	1.3
96.02184	2.5
106.00586	0.4
108.99335	0.7
110.00111	0.6
111.00896	9.2
123.00903	1.1
124.01672	50.7
125.01983	0.8
131.05035	0.7
134.00159	0.6
136.98820	6.5
145.06595	0.4
147.08165	0.4
152.01163	27.2
153.01462	0.7
153.07097	1.2
156.00700	2.5
156.05794	0.5
157.06650	1.0
158.35358	0.3
171.08134	1.6
173.06088	9.0
174.06383	0.5
197.06099	0.8
200.04770	0.4
201.05606	1.2
204.92265	0.3
215.07138	2.1
225.05597	4.1
243.06622	100.0
244.06950	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	243.0657
Annotation	2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
59.01387	0.7
59.97892	0.1
65.00330	20.7
66.00684	0.5
67.00750	0.1
67.01900	1.1
68.99820	0.6
80.02676	0.9
82.00613	0.3
83.01389	2.1
84.99310	0.1
87.00886	0.7
87.01357	0.1
93.03474	0.1
95.01397	1.7
96.02192	2.1
96.99310	0.1
99.00866	0.1
101.03963	0.1
106.00634	0.3
108.99342	0.6
110.00098	0.7
111.00894	10.7
112.01234	0.1
114.68253	0.1
115.05491	0.1
117.03435	0.4
123.00007	0.2
123.00899	2.8
124.01677	53.4
125.01962	0.9
127.05534	0.2
129.07126	0.2
130.04317	0.1
131.05048	1.0
134.00116	0.6
136.98820	6.1
137.99193	0.3
138.99249	0.3
139.00383	0.2
141.07129	0.2
143.05045	0.3
145.02953	0.3
145.06625	0.9
151.00366	0.1
152.01166	30.2
153.01498	0.7
153.07137	1.3
155.05054	0.4
156.00667	4.1
156.05827	0.3
157.00989	0.1
157.06578	1.1
158.06897	0.1
169.02917	0.1
169.06625	0.1
171.04544	0.8
171.08180	1.9
172.05092	0.3
173.06097	12.5
174.06451	0.4
181.06575	0.6
183.04482	0.1
187.07549	0.1
197.06155	0.6
199.04068	0.3
200.04710	0.3
201.05688	0.8
212.00748	0.1
215.07156	2.3
216.07460	0.1
225.05595	4.6
226.06020	0.2
243.06628	100.0
244.06970	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
71.05025	5.2
79.95732	1.8
81.03464	1.5
83.01393	2.1
83.05046	1.6
93.03478	7.6
97.02962	6.8
97.06596	2.4
99.00888	27.9
107.47697	1.1
109.06602	2.4
110.03733	3.3
111.00888	1.5
116.31593	1.2
117.03458	2.6
123.08157	2.0
125.09718	9.6
127.11307	1.6
131.05023	1.5
133.02972	1.8
137.00504	1.0
142.02751	1.8
143.04951	1.4
145.03052	1.3
153.12813	2.1
155.14388	1.5
156.05826	2.8
157.06555	2.7
159.04509	4.1
163.07654	1.5
163.11308	10.9
171.04591	2.8
173.06099	2.3
181.12363	27.6
187.03978	1.9
194.29732	1.2
197.11835	2.3
199.04015	1.7
199.07654	1.8
199.13399	26.2
201.05647	2.5
207.10289	52.3
208.10632	2.7
214.99821	1.4
215.03510	2.3
225.11346	100.0
226.11671	4.2
241.72760	1.3
243.03018	10.2
243.06737	15.6
243.12384	91.1
244.03401	1.2
244.12721	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03442	1.0
59.01381	7.8
65.00312	1.3
69.33566	5.0
71.01373	1.7
71.05022	2.1
79.95741	1.6
83.05016	1.6
85.00481	1.5
86.50958	1.2
97.02961	6.3
98.21870	2.3
99.00891	11.5
109.06602	1.9
110.02487	2.2
110.03757	2.6
111.80073	1.0
117.03490	12.2
123.00888	6.9
125.09751	6.3
127.11319	4.3
133.02960	1.4
138.58206	1.1
139.11287	2.6
143.05046	4.3
145.02968	2.3
153.12898	1.2
155.10818	1.0
161.02451	3.1
163.11313	5.6
171.04559	6.5
171.10335	1.6
175.04060	1.8
181.12358	27.7
183.10291	4.7
185.02509	1.5
187.04051	2.9
197.11876	2.5
199.04106	1.2
199.13423	34.8
200.13765	1.1
201.11368	10.0
207.10307	35.7
208.10576	1.7
215.03542	2.3
215.12895	1.7
222.64113	1.1
225.11351	100.0
226.11688	4.9
243.02995	22.2
243.06918	2.8
243.12402	91.2
244.03198	1.7
244.12775	3.4
261.96338	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76984	0.8
58.02984	5.8
59.01372	3.1
59.33063	0.6
61.00426	2.6
66.03493	1.0
69.72525	1.6
70.02970	1.4
74.57253	0.7
81.05956	0.7
82.06620	5.6
84.04568	1.4
84.08169	1.6
85.02995	0.9
87.05659	4.1
112.04053	6.6
112.07689	1.6
114.09252	1.2
129.06731	0.7
129.10367	3.1
130.08752	100.0
131.09081	1.7
140.10870	4.7
141.10382	1.0
143.05075	0.9
149.59526	0.7
157.13477	92.0
158.13806	2.1
163.04091	0.8
166.08832	0.9
167.84702	0.7
168.55956	0.9
171.04449	1.5
175.03925	0.9
181.82129	0.7
182.15498	2.6
199.04004	2.8
199.14594	7.8
199.18196	15.4
201.12515	5.4
210.39986	0.7
215.03722	1.1
225.05788	0.8
226.19458	0.8
243.03078	7.1
243.06699	1.6
243.13522	63.2
243.17177	56.2
244.03923	0.8
244.13707	2.3
244.17496	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
66.03485	0.7
73.52472	0.5
80.05042	0.8
82.06654	0.9
82.24821	0.4
84.08156	0.4
110.02483	0.7
113.99316	5.5
114.09233	1.4
122.96258	0.5
129.10391	4.0
130.08754	48.2
131.09070	0.8
171.05103	0.6
182.15466	0.6
199.18193	26.7
200.18507	0.5
242.02525	0.5
243.03175	0.8
243.17159	100.0
244.17421	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	243.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12254	0.4
58.84563	0.4
59.01386	0.6
65.08271	0.4
66.03480	1.8
69.63831	1.7
70.84804	0.4
82.06634	8.4
84.08214	2.0
87.77578	0.5
107.26243	0.4
112.07687	1.6
113.06057	0.4
114.09267	1.5
129.10353	6.4
130.08751	53.7
131.09099	0.8
139.80573	0.4
141.10324	1.2
142.37231	0.4
149.50372	0.5
157.13463	1.3
165.13373	0.4
182.15500	5.9
199.18173	31.9
200.18591	0.9
201.09296	0.5
225.16049	0.8
243.02985	1.1
243.17149	100.0
244.17461	2.9
263.47229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1304
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
55.26758	0.7
58.02982	9.8
59.01380	2.6
67.68501	0.7
70.02977	2.4
70.13550	1.5
73.61030	0.8
74.02470	3.9
78.95898	3.4
80.99801	0.8
82.06635	1.2
83.01410	0.8
84.08212	0.9
87.00893	1.0
88.04035	1.1
89.24442	0.7
98.02485	26.0
98.22537	1.3
109.01709	1.6
112.07673	1.2
113.03589	33.5
126.04361	0.8
126.53695	0.8
130.08757	100.0
131.09120	1.5
140.07188	4.2
141.10362	14.7
143.11922	1.8
145.09859	1.0
152.99603	1.8
155.11946	0.8
156.10304	1.7
165.10347	3.5
166.08707	1.6
171.00694	0.9
182.12978	2.3
183.11421	7.9
200.14052	2.3
200.17690	1.1
200.95618	0.9
210.07771	7.1
226.11984	1.4
226.70982	0.8
227.10390	25.5
244.01430	1.2
244.13013	36.4
244.16661	3.0
245.00552	1.1
245.04280	1.3
245.13454	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	245.0433
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
56.35918	0.3
62.96417	0.4
71.00456	0.4
78.95911	100.0
79.95838	0.3
80.96492	0.4
84.97012	0.3
89.67909	0.3
94.98112	0.9
96.96973	7.4
150.98041	1.1
152.99600	66.3
153.99927	0.7
171.00655	29.2
174.75876	0.3
199.92142	0.3
204.47615	0.3
245.04330	65.0
246.04663	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47956	0.6
59.01386	9.2
61.98836	53.1
62.92198	0.6
62.96401	0.7
64.18159	0.7
70.02979	0.8
70.93594	0.8
71.01394	8.2
72.00955	0.7
72.04548	0.6
72.99315	24.9
73.02950	1.6
73.04077	0.9
74.02479	1.9
78.95911	100.0
80.96511	0.6
82.02983	1.7
83.01414	1.0
84.04552	3.1
85.02946	0.7
86.02506	0.7
87.00883	1.4
87.05652	2.1
88.04055	7.4
89.02471	3.6
92.92829	0.6
94.92534	2.8
94.98119	0.9
96.96973	15.0
97.51897	0.6
98.02499	1.9
98.06139	0.7
99.00892	0.8
99.05697	1.3
101.02457	6.4
101.07197	1.2
102.05620	2.3
104.03560	0.7
108.90214	9.5
109.04088	2.0
110.02546	1.2
110.98540	0.9
111.00918	0.8
112.04096	0.9
112.07654	0.7
114.93604	1.4
115.00385	4.1
115.05147	1.4
115.08803	4.3
116.03602	1.6
116.07191	10.7
117.01967	1.8
117.06725	0.6
118.05094	1.1
119.03516	6.4
125.00108	5.6
125.03583	0.8
127.05169	6.2
128.03549	9.8
128.04440	0.9
128.95969	0.7
129.06737	3.6
129.10359	12.1
130.05121	2.4
130.08746	4.3
131.04645	0.6
131.08356	0.6
132.03053	1.1
144.03036	1.3
145.01421	1.2
145.06207	22.8
145.09962	0.6
146.04588	1.5
146.92560	3.1
152.95996	19.6
152.99603	64.4
153.99962	0.7
157.13496	2.2
160.06158	5.9
161.04588	0.8
167.04668	1.5
169.01227	0.7
170.89264	1.2
170.97043	27.2
170.98505	1.4
171.00658	30.0
181.93678	0.8
183.11456	1.9
183.13315	0.7
191.05705	0.6
193.43985	0.6
199.07295	1.0
201.12453	5.4
207.72804	0.5
209.06714	2.7
209.09247	0.6
221.48999	0.6
227.10439	2.0
227.12367	1.0
232.23390	0.7
244.90224	3.7
245.04359	59.3
245.08255	3.4
245.11368	11.3
246.04582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0455
Annotation	hispidin
Peak:m/z	Relative Intensity
54.00199	0.4
54.09853	0.3
59.01380	1.1
65.00328	2.4
65.27238	0.3
67.01907	0.9
68.99825	0.9
74.97279	0.3
81.03465	3.3
83.01395	57.3
84.01740	1.0
93.03468	24.4
94.03783	0.5
95.01404	0.5
96.99303	0.4
97.02970	4.0
98.21803	0.5
99.00892	1.9
101.03997	0.6
104.81892	0.4
105.43146	0.3
107.01402	1.1
111.82763	0.3
115.05563	1.0
117.03482	86.0
118.03807	3.1
119.04198	0.6
119.05018	3.0
125.02469	2.4
125.15151	0.3
129.07129	5.4
129.08008	0.6
131.05022	1.8
133.02988	2.9
135.04547	100.0
136.04860	2.8
139.04054	1.3
142.99823	0.4
143.05048	0.5
145.06592	0.8
157.02885	0.3
157.06609	10.0
158.03748	1.5
158.06960	0.5
159.04539	69.8
160.04866	2.3
161.02467	11.5
162.02737	0.4
169.06621	3.0
171.04573	1.1
172.05307	0.6
173.06088	7.8
175.04024	0.4
183.04509	0.6
190.07359	0.3
201.05592	71.6
202.05910	3.2
203.03548	1.4
203.07169	0.4
213.05621	1.2
220.09007	0.3
224.03819	0.3
227.03535	0.6
227.11154	0.3
232.68219	0.4
245.04533	15.7
245.08215	3.6
246.04945	0.4
268.80334	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
63.27694	0.9
65.00335	12.0
67.01884	4.5
68.99801	2.0
70.27816	0.9
81.03457	3.4
83.01395	60.2
84.01711	0.9
93.03466	25.8
97.02959	19.0
99.00898	15.8
101.03989	0.9
107.01372	2.4
109.41794	1.1
115.05528	1.9
117.03476	78.9
118.03801	1.7
119.05020	9.6
125.02447	1.1
129.07129	7.0
131.05019	2.8
133.02956	4.0
135.04539	100.0
136.04865	2.0
139.03984	3.9
145.06595	3.1
157.06606	11.8
158.03760	2.5
159.04532	71.6
160.04854	2.6
160.71288	1.0
161.02440	15.0
162.02914	1.0
169.06577	5.2
171.04579	4.4
173.06131	10.7
201.05589	82.7
202.05916	2.6
203.07129	2.8
213.05579	6.7
222.10849	1.0
245.00929	2.0
245.04520	23.5
245.08154	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	245.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60418	0.3
68.99821	5.8
70.48452	0.5
78.95923	0.9
83.01337	0.3
93.03465	1.4
96.99320	8.4
99.00896	4.9
100.57822	0.3
107.01406	0.4
117.03481	2.6
119.05042	100.0
120.05390	2.9
123.02795	0.5
124.01732	0.3
124.98806	0.9
130.04317	0.3
131.05042	0.7
133.02957	0.5
142.99878	7.2
143.05034	0.8
145.02963	1.1
145.06593	0.6
147.04553	0.9
158.03793	0.5
159.04497	0.7
161.02483	0.6
165.12872	0.8
171.04559	0.9
173.02495	0.6
173.06125	1.2
174.03221	0.5
175.04071	1.4
183.13922	1.3
187.04012	1.9
189.05637	0.6
199.04071	0.4
201.05553	2.0
201.14922	0.4
203.03537	0.9
209.11856	0.8
217.05113	1.3
227.12933	2.1
245.04572	16.4
245.13968	5.2
246.04948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08718	2.2
69.48216	0.3
74.29894	0.3
81.03483	0.5
93.03459	1.8
96.99311	0.6
98.21899	0.7
99.00940	0.5
107.01398	1.4
116.02693	1.3
117.03476	100.0
118.03812	2.6
119.05035	8.2
131.05046	0.8
135.04480	0.3
142.99947	0.8
145.06575	1.7
157.06572	0.9
158.03745	1.8
159.04546	3.8
161.02438	2.4
173.02440	0.9
173.06091	21.6
174.06430	0.9
186.03224	0.6
201.05585	85.5
202.05884	3.1
245.00882	0.5
245.04559	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	245.0821
Annotation	Torachrysone
Peak:m/z	Relative Intensity
53.02570	0.4
56.34276	0.4
65.00331	9.7
67.01897	26.3
68.02192	0.6
68.99825	8.0
69.03453	1.3
69.84444	0.9
75.00890	0.4
79.95751	5.1
81.03458	1.8
81.95298	0.4
82.00625	1.3
83.01396	11.5
88.79496	0.5
93.03474	0.4
97.02960	100.0
98.03281	1.3
98.22561	0.7
99.00903	6.6
101.03983	2.1
107.01394	1.7
115.05566	0.9
117.03508	1.4
119.05049	2.6
127.05590	0.5
130.01808	0.4
131.05002	2.1
133.02992	0.7
133.06627	3.1
134.76770	0.6
139.04031	22.2
140.04285	0.6
141.07100	1.0
143.05058	3.6
145.02957	0.6
145.06619	1.8
161.06085	1.3
169.06625	1.6
171.04536	23.0
172.04951	0.7
175.07738	0.6
182.80862	0.4
196.49670	0.4
196.99832	1.2
201.05553	1.3
203.07156	6.0
204.00868	0.8
204.50989	1.1
205.00595	0.7
213.05539	2.4
217.05089	0.5
245.04266	1.7
245.08212	59.6
246.08499	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	245.082
Annotation	Torachrysone
Peak:m/z	Relative Intensity
62.12642	0.6
65.00329	71.2
66.00629	1.1
67.01900	3.0
68.99817	5.3
69.42310	2.5
70.15927	0.5
76.57877	0.6
83.01390	2.2
89.69096	0.6
97.02957	100.0
98.03289	1.6
98.22634	0.7
99.00883	11.1
101.03976	0.8
107.01406	5.9
115.05521	1.2
117.03471	0.8
117.07114	1.3
119.05043	2.4
127.05527	0.8
130.04231	1.4
139.04024	15.7
140.04419	0.7
141.01971	0.7
141.07120	3.3
143.05063	5.4
145.02954	0.8
145.06599	21.3
146.06941	0.6
150.02010	1.2
159.04512	0.6
169.06598	6.8
171.04526	18.2
173.06076	0.9
174.01971	0.9
175.07730	0.5
201.05652	1.3
203.07169	11.3
213.05585	34.7
214.05911	1.1
217.01474	0.7
245.00952	1.9
245.08202	91.5
246.00307	0.8
246.08565	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.082
Annotation	2-Methoxy-4-oxo-6-phenyl-hexa-2,5-dienoic acid methyl ester
Peak:m/z	Relative Intensity
65.00331	78.5
66.00634	0.9
66.84501	0.7
67.01901	1.9
68.99825	6.5
69.17359	2.3
69.17773	2.5
75.37613	0.9
83.01388	4.0
90.78129	0.8
93.03459	1.6
97.02959	96.1
98.03291	1.4
98.22788	0.7
99.00889	12.7
107.01405	5.1
115.05573	1.4
117.03496	5.4
119.05057	1.1
121.07590	0.8
127.05585	1.0
130.04269	2.1
131.05057	1.3
135.04512	3.7
139.04019	17.6
140.83678	0.7
141.07117	3.6
143.05051	5.8
145.06606	23.9
147.18176	0.7
155.05019	1.0
156.61931	0.7
159.04541	3.2
169.06598	7.6
171.04536	18.0
173.06050	3.9
201.05569	8.5
203.07156	11.8
213.05583	34.0
245.04716	3.7
245.08214	100.0
246.08559	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	245.0932
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
50.85257	1.2
58.02727	1.8
58.02982	22.3
59.01394	1.4
68.99822	2.4
69.35985	7.3
70.02988	18.2
72.00900	3.9
72.04549	4.5
74.02481	100.0
74.76905	1.6
96.99290	2.1
98.02493	26.9
116.03558	29.4
116.05073	32.9
117.03461	1.5
119.05042	21.8
130.06621	5.7
142.06644	9.8
142.99953	1.6
144.60683	1.3
159.09265	5.7
186.05621	1.8
201.10347	6.9
203.08281	87.6
204.08507	2.4
231.20036	1.6
234.51620	1.5
245.04536	5.8
245.09320	69.3
246.09691	3.4
246.52467	1.4
269.71680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	0.7
59.01379	2.6
61.98837	100.0
62.99062	0.4
70.02973	0.7
70.57700	0.9
71.01402	1.7
72.00928	1.2
72.99311	3.6
74.02495	3.1
78.95917	11.1
82.03010	1.0
84.04140	0.4
84.04548	2.4
86.06089	0.6
87.05662	0.9
88.04075	1.9
89.02474	1.2
96.96973	5.3
97.04096	0.7
98.02478	0.6
99.00888	0.7
101.02482	1.3
101.07245	0.9
102.05639	1.4
104.03564	1.4
108.90251	1.6
109.04072	3.0
110.89968	1.1
110.98553	2.2
114.05597	0.4
115.00416	0.7
115.08779	0.5
116.07208	1.2
119.03549	0.5
122.57247	0.4
125.03604	1.9
127.05161	9.3
128.03552	6.4
129.10393	0.6
130.10719	0.8
131.08276	7.0
131.09157	0.5
145.01508	1.2
145.06210	46.9
146.04643	3.2
146.06555	0.7
148.04385	0.7
148.72290	0.4
152.96030	1.7
152.99643	1.2
154.00009	1.4
169.98715	0.9
170.97072	2.4
171.97420	0.7
172.01118	0.6
172.07359	0.7
173.04492	0.6
173.05789	1.1
173.10466	3.8
202.12082	0.5
203.06715	0.6
245.11607	0.6
246.01207	0.6
246.04836	2.1
246.11899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56249	0.6
59.01389	3.1
62.67957	0.7
71.39858	0.7
72.00913	15.5
73.28262	0.5
79.95733	1.2
83.20285	0.6
91.05539	1.6
103.05528	0.7
103.92030	2.3
105.97330	0.7
147.04541	41.3
148.04897	1.0
164.07179	100.0
165.07532	2.9
174.99207	0.7
182.94713	0.6
186.95705	0.7
221.39548	0.7
246.07483	2.1
247.06186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0613
Annotation	(-)-2,3-Dihydrocitromycin
Peak:m/z	Relative Intensity
51.46529	0.6
52.92739	0.5
59.01347	0.7
65.00319	0.6
69.35039	2.8
78.95924	0.9
83.01393	4.0
98.21911	1.3
105.03400	1.1
110.94061	0.8
117.03483	3.8
119.05029	1.4
121.02954	1.7
133.02936	3.2
135.04553	0.7
145.02965	13.6
161.02458	29.5
165.59885	0.6
173.02441	1.2
175.04005	1.6
189.01955	43.2
190.02324	1.4
203.03482	2.1
204.04286	17.7
205.04648	0.8
216.04352	1.2
217.01425	96.4
218.01770	2.5
219.06612	8.3
229.05209	0.6
231.03008	1.1
232.03781	100.0
233.04103	3.2
247.06129	64.6
248.06419	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	247.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24200	0.4
70.25628	1.0
78.95900	0.7
83.01395	51.9
84.01720	0.5
92.45262	0.4
93.03469	1.4
115.05521	0.5
117.03500	1.3
119.05038	100.0
120.05399	2.0
121.02990	1.5
127.00364	0.6
130.32684	0.4
133.02972	2.0
135.04556	0.5
142.04271	1.5
143.05054	6.9
145.02960	5.1
146.12735	0.4
148.57338	0.4
157.06635	1.0
159.04544	0.6
161.06111	3.5
165.90855	0.4
174.03270	0.8
175.04053	1.0
175.07745	0.4
185.06091	27.7
186.06389	0.8
187.04001	1.3
188.04836	1.3
189.02061	0.5
189.05632	0.4
192.94621	0.4
203.03514	1.7
203.07158	5.8
229.05064	6.9
247.02461	1.0
247.06134	7.6
247.08870	0.5
247.09819	0.7
247.13551	0.5
261.91791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1124
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
52.52190	1.3
54.96062	1.4
59.01374	3.3
71.07573	2.8
72.00927	8.3
78.95915	6.1
80.96518	10.1
85.02971	1.8
96.96026	2.0
96.96969	1.7
99.92598	13.0
108.02176	4.2
115.08765	1.7
115.92071	3.5
116.05048	1.9
116.07186	4.4
121.02964	3.3
123.04558	2.5
127.00381	6.2
131.08290	12.0
138.25928	1.3
141.10364	19.6
147.04527	6.4
148.04915	17.8
155.11928	16.1
163.40634	1.7
164.07195	17.4
165.07530	49.5
173.10429	8.2
186.95659	2.2
199.10898	37.0
203.00250	2.6
203.12276	3.8
246.99287	3.0
247.11243	100.0
248.11528	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	247.1705
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
54.30779	0.1
54.99457	0.1
66.89307	0.1
71.43918	0.1
77.77072	0.1
88.76106	0.1
93.07884	0.1
117.03506	0.1
132.79341	0.1
152.26350	0.1
200.52737	0.1
204.15305	0.3
205.15979	0.4
220.17058	1.1
231.13997	0.5
247.17041	100.0
248.17384	5.4
264.13974	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	249.1135
Annotation	Trolox
Peak:m/z	Relative Intensity
57.86707	0.4
61.98815	0.4
70.28817	0.5
70.29128	0.5
75.35778	0.3
82.76444	0.3
85.67608	0.4
98.22524	0.4
127.80762	0.4
134.03813	0.4
142.99858	0.8
175.07648	6.3
177.01880	0.4
189.09239	7.6
190.09990	5.3
192.07965	0.6
193.08751	1.2
217.08710	7.6
233.08142	0.8
234.08942	0.7
249.11327	100.0
250.11710	4.5
250.14508	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	250.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03451	5.0
57.29026	0.8
59.01381	10.0
61.98829	3.7
69.49261	1.2
70.33618	1.9
71.01378	8.0
72.99310	1.0
73.02959	19.7
73.71042	0.8
73.84729	0.9
74.02464	1.5
78.91879	1.2
78.95905	3.9
81.28925	0.8
82.41824	1.1
83.01405	4.6
85.02955	4.9
85.04079	2.7
89.02457	2.1
92.05063	3.4
94.79051	1.1
98.22551	1.3
101.02448	100.0
102.02790	1.0
105.05861	0.9
111.02005	1.0
113.02452	3.0
120.04566	5.4
122.06119	3.1
130.94394	3.0
134.10905	0.9
145.96771	1.8
147.94658	1.4
161.04602	3.9
165.01880	1.1
165.95731	3.4
186.53265	1.0
197.91225	1.0
202.05060	1.2
204.06683	1.2
206.08231	3.0
207.96788	3.5
218.11795	1.8
221.09435	5.4
232.84811	2.1
234.11209	1.2
250.07256	21.4
250.14493	64.6
250.85756	1.3
251.10530	2.0
251.14810	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	251.0928
Annotation	2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.15037	0.5
57.03456	17.0
59.01373	2.5
65.00339	1.0
67.01901	0.6
69.03462	10.2
69.26208	2.6
71.05052	0.8
75.83592	0.5
79.05532	0.5
81.03468	4.9
83.01392	16.1
83.05064	1.1
83.46441	0.5
85.02962	4.1
85.06599	1.3
87.04529	4.8
91.01933	0.8
93.03464	1.1
95.01411	1.7
95.05039	1.0
97.06607	10.1
99.04533	25.5
108.02187	2.0
111.00894	2.4
113.06102	36.8
114.06430	0.5
115.04022	15.6
121.06596	1.1
123.04541	17.8
127.04023	5.0
127.07662	8.1
135.04529	8.1
136.01680	10.6
137.06104	2.3
137.09673	0.9
139.03925	0.6
139.07637	3.4
149.06102	2.8
151.04025	100.0
152.04361	1.8
153.01955	28.2
153.09245	0.8
155.07150	12.6
161.09724	0.6
163.07666	1.0
165.05597	3.0
165.09251	0.5
167.07170	4.0
179.07155	1.7
179.10805	0.9
181.05112	1.5
191.07147	1.3
193.05095	0.6
205.08804	0.6
207.06636	8.9
209.08240	1.0
223.09714	3.7
233.08202	1.8
251.09268	23.4
251.14787	5.2
252.09721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1039
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
50.08483	0.7
52.32143	1.0
52.63071	0.7
59.01380	3.5
59.55476	0.8
61.98821	1.3
69.50739	0.7
69.95596	2.6
71.01389	2.4
71.02505	2.4
72.00916	1.6
72.99306	1.1
73.02978	2.3
73.04075	100.0
76.85275	0.9
78.95906	2.1
85.02959	1.4
87.00873	2.0
89.02494	1.3
91.05549	2.8
92.90450	0.8
101.02449	1.8
103.05146	2.2
107.05040	1.4
110.36423	0.7
120.99657	3.7
129.05621	1.6
146.79839	0.8
147.04543	18.0
163.04356	6.3
164.07175	27.1
164.08559	1.6
168.91470	1.1
177.10333	1.3
193.03627	1.9
221.09331	46.8
222.09747	1.4
233.09221	1.8
251.06355	7.4
251.10403	48.7
251.14426	8.2
252.10651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05165	1.3
51.49257	1.3
51.62288	1.2
55.01891	10.0
57.03444	6.9
58.00586	2.2
59.01385	100.0
62.24275	1.4
69.96088	2.6
71.01389	92.6
72.64012	1.3
72.99322	3.1
73.02954	38.3
74.02478	6.3
75.00870	2.9
78.91881	2.6
78.95896	3.2
83.01392	16.8
85.02960	45.6
85.04065	9.3
87.00879	5.5
89.02454	24.1
91.05533	5.5
95.01382	8.6
97.02956	2.5
97.04060	3.3
98.22553	1.8
99.00893	15.2
100.10637	1.2
101.02451	99.2
102.02789	6.2
103.04057	1.4
104.03514	2.6
111.01991	3.3
113.02463	41.7
119.03500	5.4
125.02377	2.2
129.01941	2.2
143.03484	4.3
159.03046	6.7
160.07745	2.1
161.04576	39.7
165.48428	1.3
172.07700	1.8
189.10361	3.4
193.03569	1.9
203.08278	1.6
221.09317	25.5
232.84975	1.5
250.99284	1.2
251.07640	2.5
251.10965	17.0
251.14842	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	251.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.4
57.03461	5.5
59.01386	92.4
61.98827	10.3
65.83340	5.5
67.68979	5.1
71.01386	100.0
71.39821	6.7
72.99293	7.7
73.02956	43.6
74.02486	6.2
78.95922	26.2
81.44160	5.1
83.01386	14.8
85.02958	51.6
87.00881	8.3
89.02457	20.0
95.01448	5.5
96.96038	6.8
99.00882	12.3
101.02454	97.6
113.02467	42.5
113.03624	6.1
119.03515	6.9
123.77758	5.9
128.03552	17.3
128.26833	5.9
131.03508	5.9
132.88196	4.6
141.65163	5.4
142.30510	5.2
143.03474	5.6
159.03033	8.4
161.04553	28.8
164.85847	5.6
192.95717	6.8
193.03596	15.3
221.09348	14.4
232.84914	15.8
250.85893	10.4
251.11145	11.6
251.14877	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	252.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95127	1.8
53.25023	1.8
57.08400	1.8
58.78176	1.9
59.01377	2.3
65.80923	1.9
67.03021	3.7
71.41832	2.5
81.03333	19.2
83.94442	1.9
92.02539	2.9
117.17680	1.9
151.00766	3.6
178.01865	3.8
205.02879	100.0
205.04803	4.9
237.69080	2.3
251.14923	2.5
251.99738	7.5
252.02933	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0735
Annotation	Neopterin
Peak:m/z	Relative Intensity
50.59286	0.2
59.01395	0.4
69.76077	0.2
69.76434	0.8
79.95742	100.0
80.96513	0.9
81.05149	0.2
97.18250	0.2
98.21896	0.3
108.50998	0.2
126.12897	0.8
133.02939	1.1
160.11659	0.5
188.11157	8.7
205.02956	0.3
223.04172	0.2
223.93268	0.2
252.07346	39.3
253.05011	1.3
253.07648	1.2
253.14511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	8.7
64.99982	0.3
65.00323	3.9
74.63338	0.1
75.39194	0.1
79.01887	0.4
83.01381	0.3
89.00327	0.8
97.57307	0.1
101.03973	0.8
107.01400	3.6
109.85000	0.2
115.05515	0.3
117.03440	0.2
119.05029	1.9
121.02918	0.2
139.05521	0.5
141.97189	0.1
143.05035	5.8
145.02963	2.5
148.01680	0.2
151.00356	1.0
152.06297	0.1
152.73685	0.2
153.07072	0.3
155.05077	0.2
157.06535	0.3
165.07155	0.9
167.05026	1.1
171.08173	0.3
180.05827	0.9
181.06587	1.5
183.04465	0.3
185.06079	1.2
187.04085	0.4
197.06082	0.3
208.05283	0.3
209.06085	4.0
211.03995	0.9
225.05615	0.6
246.92004	0.2
253.05066	100.0
254.05405	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63693	0.2
63.02404	7.4
65.00329	4.4
70.72792	0.2
79.46445	0.2
81.03471	0.3
83.01369	0.5
89.00314	0.5
98.21816	0.6
101.03990	0.8
104.30931	0.3
105.03499	0.6
107.01405	3.7
119.05028	2.0
121.02959	0.6
126.46406	0.2
139.05556	0.6
143.05032	6.0
145.02959	2.0
149.02432	0.4
151.00378	1.0
155.05028	0.4
157.06589	0.4
165.02022	0.3
165.07083	1.0
167.05067	0.6
171.29271	0.3
180.05824	1.2
181.06573	1.5
183.04424	0.3
185.06056	0.9
187.03931	0.4
193.01384	0.3
197.06085	0.4
208.05455	0.6
209.06075	3.9
210.06500	0.3
211.04027	0.8
225.05629	0.8
234.10828	0.2
253.05083	100.0
254.05437	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	253.0509
Annotation	Chrysin
Peak:m/z	Relative Intensity
63.02402	7.9
65.00327	3.8
69.76376	1.0
70.39619	0.4
89.00299	0.7
98.22615	0.3
101.03971	0.5
107.01402	3.2
115.05538	0.5
117.03493	1.4
119.05041	1.1
133.03008	0.3
135.00891	0.6
139.05539	0.3
143.05057	5.5
145.02989	1.9
151.00386	0.9
165.07111	1.1
167.05051	0.7
170.49173	0.3
180.05797	0.5
181.06642	1.6
183.04645	0.4
185.06108	1.3
208.05246	0.3
209.06126	3.9
211.03992	1.1
225.05510	0.4
253.05084	100.0
254.05440	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	253.0508
Annotation	Nordalbergin
Peak:m/z	Relative Intensity
65.00330	1.9
68.99828	1.1
69.57352	0.9
83.01403	0.3
86.03209	0.2
101.03983	1.4
107.01366	0.4
110.30959	0.2
115.05545	4.5
117.03461	0.5
120.99303	0.5
127.05527	1.5
129.07104	1.0
139.05548	2.0
141.03348	0.3
141.07109	3.3
143.05014	1.0
145.06604	0.5
148.01637	0.3
151.05536	3.2
152.06290	1.0
153.07120	3.8
155.05052	1.4
157.05592	0.2
157.06589	7.8
165.07100	6.3
167.05034	0.7
169.06595	9.3
170.06856	0.3
171.08176	4.6
173.06125	0.5
179.05049	1.1
180.05786	1.3
181.06607	24.1
182.03760	0.5
182.06940	0.7
183.04517	3.0
184.05234	0.4
185.06033	1.2
195.04520	3.5
196.05347	0.4
197.06087	22.3
198.06459	0.8
207.04677	0.3
208.05295	0.8
209.06104	9.9
210.03247	5.5
210.06419	0.4
211.03821	0.3
223.04143	0.3
224.04781	0.5
225.05582	66.1
226.05878	2.8
253.05074	100.0
254.05432	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	253.0508
Annotation	Nordalbergin
Peak:m/z	Relative Intensity
63.02398	0.3
65.00324	1.9
68.99818	1.0
69.12366	1.6
77.00352	0.3
101.03963	1.4
110.93161	0.2
115.05542	4.1
120.99323	0.4
127.05579	1.5
129.07092	0.6
139.05560	1.9
141.07132	3.4
142.22585	0.3
143.05063	1.1
145.06662	0.3
151.05548	3.4
152.06303	1.0
153.07098	3.4
155.05017	1.2
157.06604	8.6
165.07111	6.1
167.04980	0.6
169.06607	9.9
171.04510	0.3
171.08165	4.3
173.06027	0.5
179.05029	0.9
180.05865	1.3
181.06607	25.8
182.03786	0.3
182.06953	0.9
183.04544	3.3
184.05251	0.6
185.06081	1.1
187.07626	0.5
195.04517	3.5
196.05344	0.5
197.06093	23.9
198.06419	0.7
201.05617	0.4
208.05270	0.8
209.06096	9.7
210.03249	4.5
210.06432	0.3
211.03827	0.4
224.04713	0.7
225.05591	71.0
226.05928	3.1
253.05081	100.0
253.08765	2.5
254.05457	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46581	0.2
59.01387	3.1
69.77597	0.5
76.07076	0.2
81.03455	0.3
83.05038	0.5
85.99976	0.2
86.51450	0.2
87.05882	0.1
89.03947	0.1
91.01890	0.2
93.03480	0.3
98.22594	0.2
101.02485	0.2
105.03481	0.2
108.02187	0.1
109.06638	0.1
117.03472	3.7
121.06660	0.2
127.07684	0.2
132.02187	1.5
133.02972	86.6
134.03291	1.6
139.07681	0.4
153.02263	0.6
165.07133	0.2
169.06651	0.5
181.06613	0.7
193.12325	0.2
197.06070	1.0
208.05191	0.2
209.06110	3.0
210.06354	0.2
211.03961	1.2
224.04794	0.4
225.05580	3.0
235.04034	0.6
253.05084	100.0
253.14165	1.6
254.05409	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	253.0872
Annotation	Parvifuran
Peak:m/z	Relative Intensity
57.93927	0.4
59.01392	0.7
63.02402	5.9
65.00324	2.5
65.03978	0.5
69.05018	0.6
69.05429	2.4
83.01395	0.6
89.00354	0.4
89.20541	0.4
91.08316	0.4
98.22623	0.9
101.03938	0.7
107.01417	2.3
119.05009	0.7
121.02975	0.9
139.05476	0.5
141.07094	0.8
143.05038	4.2
145.02942	1.8
151.00381	0.7
153.02261	0.6
153.07141	0.5
161.02481	0.5
165.07089	4.3
167.05072	1.2
167.08684	10.2
169.06619	7.9
171.08168	0.6
175.04008	0.6
180.05780	0.8
181.06633	2.4
185.06024	0.6
191.08653	0.4
193.06595	10.1
208.05261	1.0
209.06099	7.1
209.09674	3.0
210.06546	0.4
211.07664	44.6
212.08006	1.8
225.05603	1.5
235.07625	1.4
237.05591	11.7
238.06268	0.6
253.05078	78.7
253.08705	100.0
254.05438	4.0
254.08986	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	253.0932
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01877	3.5
57.03448	2.4
59.01385	100.0
61.98832	8.9
62.89082	1.2
69.80727	4.0
71.01389	46.0
72.99319	11.2
73.02959	16.8
75.00859	4.7
78.95917	12.8
83.01394	5.1
85.02955	12.2
87.00885	6.1
89.02449	45.8
91.04015	1.9
93.53247	1.2
95.01406	4.0
95.02473	1.7
96.96011	1.7
96.96947	1.6
97.02971	2.3
98.22007	1.5
99.00883	5.5
101.02448	51.6
103.00407	1.9
104.03558	2.4
113.02460	24.6
116.07168	1.3
117.01969	11.8
119.03527	13.5
125.00139	2.7
128.99113	1.3
131.03551	2.6
133.01431	2.4
136.96541	3.0
136.98586	6.7
143.03490	5.1
149.04498	1.3
154.91725	2.5
154.97548	73.0
154.99414	7.0
155.97853	1.4
161.04573	17.8
163.02414	1.9
178.96019	2.2
179.05655	13.2
193.03554	8.8
210.08937	1.4
227.85313	1.4
253.05467	5.8
253.09302	49.6
254.09819	1.6
259.82404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1446
Annotation	Russulanorol
Peak:m/z	Relative Intensity
54.94679	1.8
55.01865	2.4
57.03457	4.7
59.01378	10.4
60.97740	1.8
67.01884	5.8
69.03451	9.7
69.27707	9.3
71.05006	8.5
77.21233	1.8
80.02665	3.5
81.03461	79.1
83.05030	65.6
84.02166	10.1
90.75849	1.8
95.05026	16.9
97.02954	17.7
97.06577	7.4
98.03752	5.1
99.04527	98.0
108.85066	1.8
109.06587	8.4
110.03712	2.2
111.04534	16.6
113.06109	2.7
116.62386	2.0
117.86894	1.7
123.08150	2.6
127.11279	2.8
137.06033	2.0
153.02219	3.0
153.09262	5.0
155.10776	5.7
163.11298	3.7
171.10295	33.9
172.10664	1.9
175.11328	2.4
190.77119	1.9
191.14452	15.5
193.12352	54.0
207.13904	10.0
209.11809	8.8
209.15468	6.6
210.29173	2.2
211.13364	2.9
225.05577	2.2
235.13411	100.0
236.13745	5.4
253.05113	23.1
253.08928	9.4
253.14470	83.0
254.04646	5.6
270.10437	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	253.1448
Annotation	Russulanorol
Peak:m/z	Relative Intensity
57.03439	5.0
59.01373	12.6
67.01891	6.4
69.03459	8.2
71.01390	3.4
71.05020	8.0
71.41916	2.8
80.02659	3.8
81.03460	79.3
83.05037	58.2
84.02171	10.1
90.82970	2.5
93.03485	3.1
95.03527	2.5
95.05029	13.9
96.02197	2.8
97.02953	14.4
97.06584	7.4
98.03749	4.9
99.04528	93.9
101.06106	10.6
106.02808	2.7
109.06596	8.4
111.04521	11.5
115.00939	2.4
121.02968	6.3
126.60872	2.5
127.11346	3.4
151.07652	7.7
153.02274	7.4
153.09166	3.8
155.10829	5.7
163.11246	3.0
171.10272	33.6
175.11261	3.7
191.14406	16.5
193.12355	47.3
194.92819	2.7
196.07458	4.7
207.13919	9.7
209.11836	5.8
209.15463	6.5
217.12323	3.9
235.13419	100.0
236.13683	3.8
253.04996	9.5
253.08957	7.8
253.14474	86.6
253.17696	4.2
253.18146	3.9
254.04488	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	253.1811
Annotation	4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Peak:m/z	Relative Intensity
55.95429	0.9
56.13959	0.8
57.03434	1.1
58.81607	0.9
59.01374	3.8
73.07333	0.9
75.60447	0.9
93.84558	0.8
98.21901	2.6
121.02974	1.6
125.09698	1.8
126.68438	0.9
136.32741	0.9
153.02255	2.1
153.30547	0.9
170.88347	1.4
171.10297	35.6
195.13940	7.8
198.74625	0.9
217.16011	1.3
234.64322	0.9
235.17052	42.2
236.17346	1.1
252.75429	1.0
253.05098	7.0
253.08890	1.9
253.18114	100.0
254.04532	7.8
254.18489	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	254.0156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
69.67404	7.9
78.95920	7.5
158.07321	2.2
196.11769	2.7
223.64120	2.7
254.04768	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	254.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
59.10500	1.9
61.98836	100.0
69.34848	2.0
70.30499	5.1
71.01385	5.9
72.00903	2.1
74.02482	3.5
78.95921	4.1
95.02528	16.7
98.22594	2.6
119.94741	3.5
128.03535	3.5
128.84361	2.3
129.14333	2.5
156.07729	2.6
180.06725	4.4
188.40540	2.3
194.03896	2.8
210.08885	12.2
255.05725	2.0
255.23071	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	254.0451
Annotation	Imidacloprid
Peak:m/z	Relative Intensity
53.28100	0.9
58.00073	0.9
67.03020	1.1
68.65890	1.0
69.09468	3.7
69.09888	3.1
85.99969	11.8
95.52678	0.9
98.29190	0.9
113.14593	0.9
153.02263	37.1
181.35004	1.0
205.27115	0.9
207.04381	2.7
210.04381	2.8
254.04500	100.0
255.04857	1.7
269.21011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0301
Annotation	Purpurin
Peak:m/z	Relative Intensity
51.27144	0.7
53.76565	0.6
53.89182	0.6
54.03590	0.6
57.81772	0.6
65.00330	62.6
66.00650	1.0
66.09880	0.7
67.93507	0.7
68.99824	0.8
70.23048	1.6
90.35806	0.6
91.01925	0.7
91.94430	0.7
92.99837	6.0
98.65412	0.6
101.03986	2.5
108.99329	1.4
110.13506	0.6
111.00889	9.2
117.03477	97.5
118.03828	2.6
127.05515	1.2
129.03485	1.7
133.02936	0.8
135.00883	5.8
136.98819	29.4
141.03506	3.7
143.05040	2.0
155.05046	3.7
157.02965	3.2
159.04546	2.0
161.02446	7.2
167.05042	1.5
167.47653	0.7
182.03656	1.5
183.04520	57.5
184.04927	1.8
185.02448	99.8
186.02786	2.2
187.03947	0.7
199.03961	1.5
211.04004	5.0
213.01917	3.3
227.03517	13.4
255.03000	100.0
255.23296	3.0
256.03357	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	255.03
Annotation	Arthoniafurone A
Peak:m/z	Relative Intensity
55.97237	0.3
57.03458	0.5
59.01372	0.8
65.00325	3.6
68.99819	0.4
71.01392	0.9
71.41504	0.4
72.99298	0.4
78.95888	0.3
79.95741	1.1
80.96526	0.7
83.05020	0.5
95.05025	0.5
96.96007	0.9
97.06616	0.3
101.03944	0.5
109.02985	0.3
117.03488	0.9
119.04997	0.4
123.04548	0.4
123.08186	0.9
127.00388	0.5
127.05596	0.8
129.03493	0.7
130.04259	0.4
131.05077	0.5
133.02977	0.9
136.98898	0.4
137.06058	0.4
139.03941	0.3
139.05533	0.5
141.03484	8.7
143.05051	3.8
145.02950	1.0
145.06676	0.6
147.04535	5.1
149.09738	1.8
151.00475	0.4
151.07712	0.4
154.04320	0.4
154.99913	2.8
155.05066	2.9
156.02199	2.0
157.02957	2.9
158.03719	1.2
159.04536	4.2
161.02608	0.4
167.05005	1.1
167.10828	3.1
169.02983	5.5
171.04539	4.7
173.02466	1.6
175.02553	0.8
175.04022	4.7
181.02953	0.6
182.03743	6.9
183.04529	18.9
184.01643	3.0
184.04803	0.5
185.02463	7.9
187.03998	1.6
189.05602	0.9
193.08733	1.1
197.02237	0.3
198.03195	0.9
199.04045	4.2
200.01190	0.5
201.01868	0.6
209.02516	0.4
210.03206	1.2
211.04033	10.6
211.06044	0.7
211.09697	3.4
211.11548	0.4
211.13371	0.6
212.01183	3.6
212.04375	0.4
213.01955	16.4
214.02327	0.5
226.02747	2.7
227.03520	36.0
228.03897	1.4
237.02045	0.5
237.07736	0.6
240.00699	0.9
254.02136	0.3
255.03009	100.0
255.08777	10.7
255.12384	1.1
255.23305	18.3
256.03329	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	255.0299
Annotation	globosuxanthone D
Peak:m/z	Relative Intensity
50.73333	0.5
56.97982	0.5
65.00328	83.7
66.00677	0.8
70.14732	0.9
85.08038	0.5
100.08263	0.5
112.18127	0.5
117.03517	0.6
143.05038	64.6
144.05379	1.7
145.03009	1.4
155.05070	0.6
167.05078	1.8
183.04590	1.9
185.02304	0.5
188.63524	0.4
211.04016	19.9
255.03000	100.0
255.23219	1.2
256.03360	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	255.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97551	0.7
59.18724	0.7
65.00327	61.5
66.00645	1.0
85.86312	0.8
89.20854	0.7
92.99816	7.0
93.57906	0.7
98.22681	2.4
101.03984	2.7
108.99330	1.5
111.00900	8.2
111.39693	0.8
117.03474	96.1
118.03824	2.2
127.05555	1.6
129.03453	1.5
135.00885	4.9
136.98811	32.7
141.03470	5.4
143.05026	3.2
155.05040	5.2
157.03000	4.3
159.04497	3.0
161.02477	5.6
164.98416	0.9
167.04996	1.7
171.04477	1.7
182.03723	3.1
183.04517	52.8
184.04892	2.1
185.02444	96.9
186.02736	3.5
199.03970	1.2
211.04016	6.0
213.01947	3.3
216.69408	0.9
227.03517	17.3
233.91454	0.8
255.02991	100.0
255.23297	5.5
256.03391	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	255.0301
Annotation	Purpurin
Peak:m/z	Relative Intensity
65.00331	59.3
66.00664	0.6
69.27004	0.5
72.48184	0.4
75.87233	0.4
77.27637	0.4
91.01897	2.9
92.99844	2.4
102.38161	0.4
108.99326	1.7
115.44261	0.5
117.03481	50.2
118.03806	1.3
119.05070	2.8
135.00896	10.6
136.98817	29.5
137.99138	0.5
141.03458	1.3
143.05035	12.0
145.02928	1.0
147.04526	1.0
155.05035	3.6
157.03017	0.9
159.04539	7.3
161.02451	1.9
161.84930	0.4
167.05066	2.7
169.02916	0.6
171.04512	1.1
182.03726	3.1
183.04532	13.5
184.04898	0.9
185.02466	12.1
187.04013	1.6
199.03976	1.4
207.59143	0.5
211.03976	3.2
226.02692	1.2
227.03520	41.3
228.03874	1.6
255.03003	100.0
255.23260	6.4
256.03311	4.0
258.93784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26247	0.1
52.11924	0.1
57.03423	0.1
59.01390	0.2
60.35516	0.1
63.02400	6.3
65.00329	9.6
67.01904	0.2
68.99821	0.8
79.01886	0.1
80.02671	0.2
81.03440	0.2
83.01395	8.1
86.77125	0.1
92.99825	0.2
95.01404	0.3
96.30880	0.1
101.03986	0.4
107.01402	10.8
108.02208	1.4
108.99358	0.2
109.03000	0.2
115.05553	0.3
117.03477	2.4
117.07135	0.2
120.02174	0.2
122.00095	0.3
123.00903	0.8
123.04513	0.1
125.02471	0.6
127.05537	0.4
130.04268	0.4
133.02953	0.5
135.00931	0.2
136.01643	1.6
136.98793	0.5
141.03543	0.2
141.07143	1.0
143.05031	0.5
145.06601	7.3
151.00388	12.3
155.05006	0.2
155.08710	0.3
157.06587	0.2
164.01175	2.1
167.08665	0.4
169.01395	0.3
169.06602	3.2
171.04536	7.5
172.05310	2.2
177.01968	0.4
183.04535	1.0
183.08115	1.1
185.02446	2.2
185.06079	2.7
187.07652	2.9
193.06567	0.4
194.82706	0.1
211.04004	0.1
211.07654	3.6
212.08063	0.2
213.05591	11.4
214.05980	0.5
227.03566	0.5
227.07156	0.9
255.06641	100.0
255.23335	0.3
256.06989	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	255.0665
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
54.42905	0.1
55.49666	0.1
59.01376	0.2
63.02404	5.7
65.00332	7.8
67.01901	0.4
68.99808	0.8
69.54656	0.3
69.55045	0.3
80.02686	0.2
80.61260	0.2
83.01397	7.6
84.95428	0.2
93.03447	0.2
94.19204	0.1
107.01403	9.0
108.02216	1.3
108.99340	0.2
110.19383	0.2
115.05547	0.2
117.03472	0.4
117.07100	0.3
120.02201	0.3
122.00153	0.3
123.00905	0.7
125.02467	0.6
127.05534	0.3
130.04248	0.4
133.02971	0.6
136.01678	1.3
141.07079	0.9
143.05038	0.4
145.06610	6.6
146.06982	0.2
150.44022	0.1
151.00392	11.5
152.00723	0.4
157.06609	0.2
157.78343	0.1
164.01190	2.2
165.07155	0.2
167.08644	0.3
169.01453	0.4
169.06616	2.9
171.04533	6.7
172.05330	2.2
177.01968	0.3
183.01228	0.4
183.08125	1.0
185.06100	2.7
187.07657	2.6
193.06613	0.3
209.06062	0.1
211.07684	3.5
213.05602	10.7
214.05962	0.4
227.07147	0.9
255.06659	100.0
255.23221	0.7
256.06995	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	255.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
62.35772	0.4
65.00332	0.5
65.03982	0.5
69.26132	1.6
86.34821	0.4
93.03465	87.1
93.09598	0.3
94.03799	1.7
98.22622	0.8
117.03477	54.4
118.03815	1.6
135.00893	0.6
135.04541	30.6
136.04814	0.6
157.92461	0.4
161.02457	100.0
162.02797	3.6
170.97295	0.3
185.02487	0.6
249.42886	0.4
255.02838	3.3
255.06767	4.7
255.16068	0.7
255.23346	4.5
256.03922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0666
Annotation	3,4'-Dihydroxy-2-stilbenecarboxylic acid
Peak:m/z	Relative Intensity
50.61005	0.3
51.28632	0.3
57.35157	0.3
59.22914	0.3
59.50222	0.3
65.00328	44.7
65.03974	1.2
66.00671	0.7
69.12818	0.6
69.13223	1.3
73.44395	0.3
81.81801	0.3
89.89807	0.3
90.11876	0.3
97.12123	0.3
98.45725	0.3
112.68584	0.3
117.03493	0.3
119.05048	0.5
127.05551	0.6
139.05545	0.4
141.07146	0.7
143.05035	31.8
144.04402	0.4
144.05426	1.1
145.02959	0.9
152.06332	0.9
155.05028	0.4
165.07088	2.0
167.05009	1.1
167.08670	8.4
169.06606	22.7
170.06943	0.9
183.04521	0.8
185.02469	0.4
207.28026	0.3
209.06146	1.0
211.04077	8.6
211.07652	100.0
212.08022	4.4
255.03014	44.5
255.06633	40.4
255.23291	0.9
256.03333	2.5
256.07028	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	255.0667
Annotation	Avicequinone C
Peak:m/z	Relative Intensity
53.97140	0.3
59.01412	0.3
62.85165	0.3
65.00325	0.8
69.18980	0.5
69.19381	1.4
77.35758	0.3
79.95790	1.3
82.77294	0.3
88.52985	0.3
91.01906	15.3
92.02239	0.4
93.02871	0.7
93.03467	12.9
117.03493	1.3
119.05041	55.9
120.05367	1.4
121.02982	0.4
131.80836	0.3
135.00902	32.8
135.04529	6.1
136.01207	0.5
145.03001	0.8
149.02437	0.9
152.91711	0.4
153.01944	1.3
161.02516	1.7
180.63156	0.3
183.01213	4.0
183.04549	0.5
184.02005	2.3
193.16071	0.4
197.02792	34.6
198.03569	14.0
199.03899	0.4
199.76013	0.3
202.31665	0.3
216.01128	0.3
216.84166	0.3
219.84630	0.3
230.02551	4.0
237.05530	0.8
237.14873	0.3
255.06648	32.4
255.10637	100.0
255.23326	7.5
256.04251	0.8
256.06866	1.7
256.10938	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	255.0666
Annotation	2',3,4-Trihydroxychalcone
Peak:m/z	Relative Intensity
57.14008	0.5
59.01374	0.7
65.15690	0.4
69.10712	1.2
69.11138	1.8
78.95891	0.5
93.03470	85.6
94.03806	1.4
117.03483	51.0
118.03806	1.4
135.00931	0.5
135.04544	21.9
136.04916	0.5
152.91693	0.5
155.02032	0.6
161.02466	100.0
162.02776	2.7
188.05200	0.5
194.92807	0.7
196.27525	0.5
219.84659	2.9
227.14539	0.5
239.10838	1.9
254.85637	0.7
255.02986	1.5
255.06905	2.8
255.13948	6.0
255.17603	0.9
255.23328	9.5
256.04245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0887
Annotation	N-Acetoxy-IQ
Peak:m/z	Relative Intensity
55.42611	0.3
56.68292	0.4
57.03437	0.4
58.52667	0.3
59.01389	1.1
64.01933	0.6
65.00327	7.0
68.99831	0.4
71.01373	0.7
71.05033	0.4
79.95743	2.2
83.01400	0.6
85.02984	0.6
96.96037	0.8
101.03989	0.4
102.12711	0.4
108.04569	0.7
109.03012	0.6
111.04467	0.4
113.02470	0.4
117.03495	1.1
119.05060	0.5
123.00898	0.5
123.08139	0.9
127.04047	0.4
127.05592	0.5
136.98810	0.4
137.06046	0.4
141.03493	1.8
143.05043	4.6
144.08154	0.5
145.03047	0.5
145.06577	0.7
147.04523	1.3
149.09761	1.6
154.99925	1.2
155.01826	0.3
155.05081	1.0
156.02228	0.7
157.02971	0.4
157.06627	0.4
159.04523	0.5
167.05013	0.5
167.07147	0.6
167.10785	4.5
169.02988	1.1
171.04538	4.4
173.06126	0.6
175.04004	0.9
182.03754	1.7
183.04558	4.4
183.08199	0.5
184.01776	0.7
184.08791	0.6
185.02515	2.4
185.04317	0.5
193.08783	0.9
193.12381	0.4
193.51884	0.4
194.92842	0.6
196.07654	0.6
197.05966	6.9
198.03317	0.4
199.04050	1.9
200.92909	0.4
210.03226	1.3
211.04054	7.3
211.07767	0.7
211.09717	4.9
211.13411	0.8
212.04478	0.6
212.08340	7.8
212.10233	0.6
213.01942	2.9
213.05568	0.7
226.02808	0.8
227.03525	20.3
228.03889	0.9
229.04828	0.6
237.02248	1.9
237.05696	0.7
237.07835	0.8
240.06544	13.8
241.06822	0.5
255.03125	31.1
255.08917	100.0
255.23308	23.3
256.03452	1.9
256.06595	0.9
256.09204	4.2
272.05576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81330	0.4
58.04119	0.4
58.54817	0.4
59.01384	10.6
70.03594	0.7
70.03927	0.8
72.00919	1.1
78.95895	3.6
80.23618	0.4
80.96558	0.4
81.04596	1.5
81.72557	0.4
82.02985	0.5
83.06153	9.4
83.99421	1.2
97.02923	0.4
97.99750	0.7
99.00485	0.7
107.04662	0.7
108.00540	0.5
108.05700	1.4
110.01008	0.4
114.05599	0.6
117.00464	2.4
126.00476	2.9
129.06723	1.7
129.99994	0.4
131.08273	58.3
132.08612	1.3
140.02057	0.9
141.01601	2.4
141.05231	1.2
141.66750	0.4
148.03682	0.8
149.09703	0.5
150.01631	1.3
150.05249	9.5
154.00008	3.6
154.01154	1.0
156.07805	3.1
165.05188	1.2
167.01828	0.6
167.03136	0.6
172.01038	26.8
173.01074	0.9
173.10448	35.6
174.02641	0.5
174.10800	0.8
178.04710	2.1
182.03166	1.2
183.04707	0.5
183.06305	1.5
185.03088	2.5
190.04753	1.1
192.02702	4.4
192.06273	2.1
194.07852	4.5
194.93887	0.7
196.05791	31.4
197.05995	1.5
200.04169	0.5
208.05800	1.0
210.07451	0.8
211.05844	1.0
212.08871	0.7
213.01947	0.9
213.07361	1.1
214.05699	3.9
227.03497	1.0
231.08379	10.4
238.06848	100.0
239.07040	5.1
255.02911	2.3
255.05476	0.5
255.09509	13.9
255.18448	0.9
255.23318	14.7
256.04630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55516	0.2
57.97558	0.3
59.01385	0.2
65.00327	0.3
65.96387	0.2
69.19878	1.1
79.95775	1.0
93.03474	0.5
95.01301	0.2
113.96745	0.2
117.03468	0.7
120.99186	0.2
133.06560	0.3
135.00926	0.3
135.04530	1.2
151.39943	0.2
154.02745	0.2
155.01973	0.2
160.74460	0.2
161.02444	0.6
165.12503	0.2
183.01234	2.6
183.04507	0.4
184.02014	1.2
197.02802	46.7
198.03564	7.5
199.03995	0.2
205.84541	0.2
211.04318	1.3
212.05212	1.3
219.84528	0.3
225.05838	0.3
226.06744	0.7
230.02536	2.0
244.04076	0.3
255.10623	100.0
255.23288	4.4
256.04178	0.4
256.10974	3.4
256.23727	0.2
258.05536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37226	0.2
65.00321	0.5
79.95777	1.2
81.83205	0.2
91.01905	3.3
93.03461	3.0
102.94172	0.2
112.25539	0.2
117.03494	0.5
119.05036	13.5
120.05374	0.3
135.00896	9.1
135.04543	0.6
153.01997	0.3
156.52148	0.2
159.08408	0.2
161.02463	0.9
175.25287	0.2
176.80318	0.2
183.01218	2.6
183.04591	0.3
184.01923	0.9
185.02478	0.3
191.14420	0.2
193.16029	0.3
197.02794	36.7
198.03574	16.6
199.03952	0.6
201.32657	0.2
211.04320	0.3
227.03577	0.3
230.02556	4.4
255.06834	7.3
255.10623	100.0
255.23267	4.5
256.04126	0.5
256.06836	0.4
256.10977	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
61.98837	0.6
63.25361	0.3
65.00332	0.3
71.40916	0.3
78.95883	1.5
83.06170	0.6
85.54134	0.2
93.87082	0.3
98.02513	0.3
101.02472	0.9
113.07224	0.3
114.04939	0.2
114.05585	1.5
116.07195	1.0
131.08275	100.0
132.08696	1.6
143.04974	0.3
150.05225	0.4
153.99997	0.3
156.07788	4.0
172.01022	1.4
173.10449	56.9
174.10789	1.1
196.05702	1.7
216.43649	0.3
227.03510	0.5
231.08493	0.3
238.06827	5.5
255.02931	1.6
255.06944	0.4
255.09181	0.8
255.11020	0.5
255.23305	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	255.1142
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
57.03457	1.9
59.01377	1.3
65.00330	4.7
69.47865	2.5
73.36210	0.6
74.29658	0.6
78.95940	0.5
79.68568	0.5
85.99987	1.6
93.03490	4.5
95.05035	1.7
98.22666	1.1
108.04533	0.6
109.47676	0.6
112.46095	0.6
117.03468	10.4
119.05034	1.5
120.04589	1.7
122.06140	1.0
123.00909	0.6
125.09746	1.5
125.80850	0.5
132.04564	1.4
134.06157	5.7
135.00909	4.2
135.04529	5.1
135.73787	0.5
136.98830	2.0
143.05020	1.9
145.05357	1.2
152.91827	1.0
154.02594	0.8
155.01965	1.4
155.05074	0.7
159.04485	1.3
159.05672	2.5
160.06488	0.8
161.02475	4.5
169.08534	0.6
170.45602	0.6
170.87076	0.6
179.07150	1.2
182.03691	0.7
182.06166	3.1
183.04469	3.6
185.02428	2.5
194.92865	0.8
196.07712	2.2
197.08420	3.3
210.09244	0.8
212.10847	9.6
223.61168	0.6
225.06752	2.0
226.07536	5.3
227.03525	2.4
228.10355	1.1
229.46664	0.7
239.08276	7.1
240.09097	14.5
241.09514	1.0
246.57166	0.7
255.02814	10.6
255.11412	100.0
255.23323	25.6
256.04214	4.9
256.11752	5.3
256.23611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1393
Annotation	3,3'-Dimethylbisphenol A
Peak:m/z	Relative Intensity
59.01379	1.7
61.98804	1.2
63.25272	1.2
63.34583	1.0
65.00314	2.9
74.02493	1.4
77.74768	1.2
79.83188	1.3
83.48586	1.1
93.03471	18.4
96.95992	1.1
108.02068	1.3
117.03484	2.4
136.21312	1.2
136.98819	1.4
149.09737	15.5
152.91734	2.2
170.88374	1.9
172.88100	2.3
172.94025	1.4
183.11815	1.4
184.87721	1.4
185.02301	1.5
194.92807	2.2
197.09837	1.6
197.90219	2.0
211.11311	2.8
211.14925	3.9
213.21130	1.1
219.84578	24.6
225.09236	7.0
227.03581	1.8
227.14444	6.1
239.10777	25.8
240.11539	4.7
254.85667	3.3
255.03024	4.5
255.13924	100.0
255.19456	7.4
255.23254	23.7
256.14227	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	255.1392
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
65.78685	0.4
68.99821	0.8
70.67147	0.5
74.36263	0.4
81.03458	0.7
82.46680	0.4
88.15496	0.4
93.03458	0.8
95.05045	2.6
97.78443	0.5
108.02182	2.0
109.02974	0.7
111.26475	0.5
121.03011	0.6
122.03789	1.2
123.04509	0.5
126.25847	0.4
145.10237	0.6
147.27206	0.4
148.05312	1.7
159.08139	0.9
167.81500	0.6
169.10254	0.5
173.06032	0.6
181.10333	0.5
183.11879	1.1
190.29193	0.5
195.11786	1.0
197.09729	2.2
209.13382	0.6
211.11308	4.8
211.14882	5.3
213.12872	1.5
224.08250	0.5
225.09235	8.9
225.12749	0.9
227.10892	1.0
227.14426	7.8
229.12343	0.6
237.12941	1.5
239.10794	29.9
240.11496	7.2
245.15529	0.4
255.13928	100.0
255.23213	1.4
256.14307	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	255.1393
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
59.01362	1.6
65.00314	2.3
69.40735	7.0
78.95882	1.3
93.03432	1.6
95.05042	2.9
98.22604	3.3
104.52441	1.4
108.02219	2.5
117.03446	1.7
135.00809	1.4
148.05331	2.3
183.04546	1.9
192.99927	1.4
194.92874	2.2
197.09760	2.2
211.11345	3.7
211.14984	6.5
212.12129	1.6
219.84593	19.4
225.09207	9.6
227.03574	2.0
227.14519	8.8
239.10780	33.6
240.11525	5.8
254.85678	3.0
255.03015	7.6
255.06696	3.2
255.13930	100.0
255.19380	6.6
255.23271	25.6
256.04190	1.8
256.14273	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	256.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65237	2.5
54.21537	2.6
57.24432	2.6
57.42375	2.7
58.02972	2.7
59.01374	10.6
61.98837	85.5
70.59438	6.3
71.01399	4.8
72.99320	11.0
75.61401	2.5
77.92792	2.5
78.95918	13.0
80.17452	2.6
82.02976	15.3
83.01397	4.0
84.04517	3.6
88.04058	4.8
89.02499	2.8
94.03015	3.3
96.33292	2.4
98.02488	8.0
100.04053	12.9
101.02444	9.7
108.50694	2.5
108.90210	66.2
109.04110	6.1
114.01994	3.9
114.05630	9.4
114.07969	2.9
119.03513	11.7
121.76724	2.7
127.00391	4.6
127.05139	10.1
128.03560	42.2
131.04686	4.3
136.98552	9.7
138.98047	4.7
141.06720	3.0
154.13426	2.7
154.91611	4.7
154.99669	10.3
157.97067	4.1
159.87906	2.8
167.04648	5.2
182.97025	100.0
182.98647	4.8
188.43346	3.2
194.09361	6.0
197.05746	4.8
203.26181	2.5
212.13989	3.6
238.08327	7.4
255.23209	3.6
255.94873	4.6
256.06046	5.7
256.09070	11.7
256.13016	3.3
257.07907	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	257.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.1
65.00330	24.8
68.99821	23.7
71.42032	1.1
80.46914	0.8
88.99928	0.9
92.99829	1.9
93.03461	2.9
93.04451	1.0
99.92612	1.3
108.99310	1.9
111.00887	4.0
115.05521	2.9
116.92860	2.1
117.03468	13.7
119.05039	76.7
120.05375	1.6
127.00394	3.2
130.04210	0.9
133.02957	1.8
136.98813	37.3
142.04268	1.3
143.05035	55.5
144.05344	2.0
145.02956	13.2
145.06589	1.5
157.06642	2.4
158.03726	13.9
159.04552	5.6
167.05054	9.2
169.01727	2.6
169.06618	9.0
171.04517	3.2
173.06049	1.1
183.04575	1.1
185.06097	17.3
186.03200	2.2
187.04021	100.0
188.04387	3.3
195.04585	5.4
198.03183	1.2
201.05617	0.9
211.02080	1.9
211.04012	25.6
212.04379	1.4
213.05615	31.7
214.05873	1.5
215.03456	1.4
221.86555	0.9
229.05078	3.8
239.03606	2.7
255.03024	4.9
256.23672	3.4
257.04590	51.7
257.10333	1.6
257.13797	1.1
258.04895	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	257.0457
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
59.01369	2.2
64.11773	1.1
65.00328	72.1
66.00645	1.2
67.01889	12.0
68.99815	6.2
69.71911	2.2
79.95744	3.8
83.01389	14.0
83.05019	1.4
93.03510	1.5
95.01381	1.3
96.99282	1.3
97.02898	1.3
98.52901	1.1
108.99306	5.8
111.00887	100.0
112.01249	1.5
114.21253	1.1
115.05547	2.4
117.03459	9.0
119.05036	70.0
125.09705	1.5
127.05607	1.3
130.24101	1.2
131.05025	1.8
133.02977	1.7
133.06508	1.2
136.98819	27.1
141.07123	19.6
143.05038	87.5
144.05373	2.2
145.02979	3.7
145.06612	4.4
147.54507	1.1
147.65425	1.2
152.98337	1.8
154.99911	1.9
157.06592	6.0
158.03661	1.8
159.04565	2.4
161.06128	1.9
167.05002	2.7
169.06580	12.6
169.12265	1.2
171.04562	8.1
173.02448	2.3
173.06154	2.1
177.05667	2.3
185.02531	1.9
185.06125	18.8
187.04036	10.6
189.05708	6.8
195.04567	2.3
195.10262	2.1
198.03232	1.7
201.05577	1.9
211.04103	2.9
213.02190	2.2
213.05582	33.6
213.09258	1.3
213.11314	2.4
214.02246	1.5
215.03497	4.0
229.04950	4.2
239.03624	3.3
242.02263	1.9
256.23740	3.4
257.04575	97.7
258.04849	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	257.0459
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
57.03441	0.4
59.01386	0.5
63.56849	0.3
65.00332	11.7
67.01882	1.9
68.99824	3.6
72.99316	0.3
79.16767	0.3
79.95760	0.8
80.96548	0.4
83.01440	0.3
83.05045	1.0
92.99835	3.8
93.03422	0.5
95.67627	0.3
109.03056	0.3
111.00887	6.2
111.01660	0.3
111.04606	0.3
115.05549	0.9
117.03484	1.3
119.05040	100.0
120.05372	2.8
121.02882	0.3
125.09735	0.4
130.08723	0.8
134.03041	0.4
136.98817	11.9
140.24786	0.3
141.26241	0.3
143.05042	14.1
143.70728	0.3
143.82497	0.3
144.05412	0.4
145.02985	2.2
151.07684	0.5
158.03748	0.9
169.06596	1.2
169.08708	1.2
171.04524	0.8
179.04677	0.4
185.06143	2.1
187.04025	9.5
189.05595	0.9
195.10310	0.5
201.05640	0.3
213.02214	0.4
213.05617	5.0
213.07535	0.5
213.11342	0.3
215.03523	0.4
239.03729	0.6
239.09360	0.6
247.64471	0.3
256.23624	1.0
257.04605	23.2
257.10306	3.7
257.14969	0.5
258.04980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73135	0.4
65.00330	100.0
66.00668	1.5
68.99805	1.0
69.24282	2.5
71.47784	0.4
79.95741	2.7
83.01412	2.6
96.99357	1.0
101.06018	0.5
108.99331	7.3
109.02983	0.6
110.00099	0.6
111.00883	2.8
115.05566	0.8
117.03459	0.6
117.07110	1.4
119.05005	3.8
121.50716	0.5
124.98830	0.6
125.99651	0.6
127.00392	1.3
127.05561	1.9
129.11415	0.5
130.04268	1.0
131.05072	0.5
136.98819	12.3
141.07109	5.4
143.05063	1.8
145.06628	5.8
148.02342	0.6
149.09784	0.9
151.04056	0.6
151.11290	0.4
152.98314	5.3
154.99886	1.1
156.00229	1.6
157.06592	0.7
169.06592	3.8
169.12315	0.6
170.00443	4.1
171.04510	2.2
173.06036	0.4
185.06046	2.3
187.03973	2.1
189.05540	1.3
201.05624	0.9
207.22667	0.4
213.05792	20.6
214.06003	0.5
215.03596	1.4
227.99060	0.8
229.05127	1.0
257.04605	87.9
258.04904	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	257.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68740	0.5
64.52472	0.4
65.00333	53.9
65.20949	0.5
66.00673	1.0
67.01890	1.0
68.75886	0.5
68.99836	3.1
83.01429	0.7
92.99831	1.2
93.03462	1.3
95.01407	1.0
108.99309	1.8
111.00908	3.8
113.48064	0.5
115.05537	0.6
117.03482	9.1
119.05042	100.0
120.05364	2.0
135.00868	0.6
136.98822	51.5
137.02431	0.9
137.99147	1.0
143.05043	9.7
145.02991	2.5
157.06607	1.2
158.03773	1.2
159.04526	0.7
163.00354	1.3
171.04620	0.8
173.06180	0.8
185.06111	7.7
187.04012	11.0
195.04437	0.5
201.05586	2.3
211.04099	1.3
213.05637	3.9
214.06036	0.6
215.03537	0.8
229.05106	4.0
233.04726	0.8
239.03589	1.1
241.05009	0.9
256.23618	1.5
257.04581	32.9
257.13843	0.7
258.04883	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0456
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
52.10786	0.5
54.58195	0.5
55.01876	0.9
56.40149	0.5
59.01381	0.7
63.72173	0.4
64.92902	0.5
65.00330	19.3
67.01895	0.7
68.99815	2.9
83.01397	0.6
84.51855	0.5
92.99842	1.3
93.03481	1.1
93.06490	0.5
93.13873	0.5
95.01405	1.2
98.10556	0.5
98.22688	0.5
108.99341	0.8
111.00905	4.4
115.05523	1.2
117.03465	5.8
119.05038	100.0
120.05350	2.6
123.00929	0.5
129.03534	0.5
130.04243	1.1
131.05048	1.9
133.02908	1.2
136.98820	29.6
137.02429	2.7
141.03487	0.9
142.04260	4.5
143.05038	48.2
144.05409	1.8
145.02979	3.5
145.06633	0.6
146.03691	0.6
146.69569	0.4
147.04570	1.2
150.18915	0.5
157.03006	1.0
157.06653	1.8
158.03745	46.0
159.04535	15.6
160.04805	0.5
161.02467	0.6
163.00290	0.5
165.01997	1.1
167.05037	1.3
169.02948	1.0
169.06590	2.2
170.03761	0.6
171.04529	4.0
173.02478	1.0
173.06090	1.1
183.04555	1.0
184.05196	0.7
185.02518	2.8
185.06097	19.1
186.03273	4.6
186.06491	0.6
187.04034	14.2
189.05579	0.8
195.04520	0.9
197.02458	1.1
198.03195	1.2
201.05589	6.1
202.05974	0.8
203.03471	0.6
211.04030	1.3
213.05585	33.1
214.02734	0.7
214.05963	1.3
214.43605	0.4
215.03502	1.2
229.05060	10.1
233.04703	0.7
239.03493	1.4
257.04578	51.0
258.05020	4.1
264.07730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0458
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
52.78865	0.4
59.71054	0.4
61.88854	0.4
65.00330	100.0
66.00655	1.3
69.63741	0.4
69.89246	0.9
69.89577	0.7
73.15476	0.4
83.01405	1.8
88.85227	0.4
98.22012	0.6
108.99330	8.1
111.00977	0.7
117.03442	0.5
117.07095	1.3
119.05110	0.5
123.07582	0.4
127.05537	2.7
130.04250	0.6
141.07114	4.7
143.05019	1.8
145.06615	6.8
152.98297	4.5
169.06599	3.7
171.04561	1.0
173.06088	0.4
185.06058	1.5
189.05580	0.4
213.05595	9.6
214.05988	0.6
229.05098	0.6
257.04565	80.0
258.04968	3.5
276.92401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.4
55.13156	0.7
65.00320	1.6
66.90389	0.7
69.48063	2.2
69.97789	0.7
70.73810	0.6
79.99041	1.2
80.99820	5.8
82.00603	1.8
83.01384	1.3
96.99316	20.9
110.00110	7.3
111.00893	8.2
115.05551	11.9
117.03453	5.0
123.00868	0.9
124.98820	16.1
125.99624	6.0
127.00394	17.3
127.05556	1.2
129.07109	2.5
131.05042	7.3
141.07129	5.5
143.05035	9.7
145.06610	3.8
152.98308	11.1
157.06598	9.1
159.04549	2.1
159.27516	0.6
163.18105	0.7
164.81009	0.6
169.06595	2.8
169.41588	0.9
171.04539	7.0
173.06102	3.2
179.71922	0.7
182.46767	0.7
183.04568	1.1
184.05292	0.8
185.06090	7.9
187.04018	13.7
188.04393	0.8
189.05612	1.6
201.03828	1.2
201.05594	13.8
203.07138	2.8
213.05614	6.7
215.03587	2.4
229.05013	9.6
241.74513	0.7
257.04572	100.0
258.04901	4.7
273.25085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0456
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
51.55391	0.5
65.00330	100.0
66.00659	1.4
67.01900	0.7
68.99818	1.0
70.12825	0.5
70.13210	1.1
83.01398	9.8
87.34711	0.5
96.99320	1.7
108.99320	8.8
111.00899	7.1
115.05553	1.1
117.07130	1.7
120.08884	0.5
124.98836	1.1
127.00381	1.1
127.05569	3.2
130.04237	1.1
131.05009	1.0
141.07120	4.7
143.05061	6.7
145.02966	1.3
145.06619	7.2
152.98309	4.9
157.06624	0.7
169.06578	5.0
171.04562	2.3
173.06049	1.0
185.06096	6.7
187.03984	0.8
193.19588	0.5
201.05536	0.7
213.05586	9.7
229.05006	1.1
257.04572	68.9
258.04865	3.2
277.56894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0455
Annotation	Alternariol
Peak:m/z	Relative Intensity
62.27904	0.7
65.00329	100.0
66.00648	2.5
67.01890	3.9
68.99836	0.8
75.13637	0.7
83.01404	5.8
98.21834	2.0
101.03973	1.4
102.98509	0.6
108.99336	6.4
111.00887	12.9
113.87503	0.6
115.23188	0.6
117.03485	1.0
117.07133	1.7
119.05059	1.8
124.98840	0.9
127.05538	4.6
130.04277	0.9
141.07146	5.9
143.05045	6.8
145.02960	4.7
145.05643	0.9
145.06630	6.0
152.98341	6.1
155.75836	0.7
157.06583	1.1
169.06610	5.2
171.04518	3.6
174.13190	0.7
185.06097	6.9
187.04063	1.1
211.03983	0.9
213.05612	18.9
229.05025	1.7
257.04468	77.4
258.04691	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	257.0458
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
51.04916	0.4
65.00330	100.0
66.00664	0.9
69.51473	1.5
78.53789	0.4
83.01397	1.4
96.99331	0.8
108.99325	7.3
111.00919	1.2
117.03429	0.5
117.07105	0.9
119.05072	0.5
124.08590	0.5
124.98795	0.6
127.05556	3.3
130.04285	0.5
141.07114	4.3
143.05029	1.7
145.06607	7.1
146.06921	0.5
148.02371	0.4
152.98322	5.7
169.06628	4.2
171.04520	1.2
185.06099	1.7
197.06126	1.0
213.05594	10.2
215.03471	0.7
257.04575	81.7
258.04883	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	257.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23629	0.6
65.00330	37.5
66.00668	0.7
67.01897	18.5
68.99819	4.6
79.95738	2.8
80.99833	0.7
81.03456	0.8
83.01389	9.7
83.05045	0.8
83.34303	0.6
83.43114	0.6
87.00895	0.8
92.99821	0.9
93.03450	0.7
95.01398	1.4
96.99318	1.2
97.02994	0.6
108.99322	2.7
110.00077	0.6
111.00890	100.0
112.01247	1.9
115.05517	3.0
117.03465	6.0
119.05034	63.9
120.05377	1.0
123.00881	1.5
124.98821	1.1
125.99633	1.1
127.00374	1.6
131.05070	0.7
133.06589	1.0
136.98837	8.9
141.07114	8.9
143.05038	54.0
144.05379	1.4
145.02962	1.8
145.06589	2.7
151.00386	1.0
151.04042	0.9
151.11296	0.8
152.98294	2.2
157.06590	4.9
158.03749	0.6
159.04573	1.4
161.06081	0.6
162.03229	6.6
167.05049	1.4
169.06592	6.2
169.12325	1.3
171.04530	4.0
173.06027	1.1
177.01932	4.0
177.05556	5.9
182.30783	0.5
185.06085	9.5
185.96532	0.7
187.04013	6.3
189.05634	4.4
195.04576	1.6
197.02779	3.2
198.03467	2.0
201.05580	1.4
211.03944	1.4
212.05275	0.6
213.05605	13.3
213.09308	1.1
213.11156	1.3
213.12794	0.8
214.05890	0.7
215.03653	0.7
215.07146	0.6
227.03931	0.8
229.05037	1.8
239.03529	1.3
256.23660	2.2
257.04614	46.7
257.08234	7.1
257.10410	1.5
258.04990	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0782
Annotation	Spongothymidine
Peak:m/z	Relative Intensity
50.49635	0.6
58.02967	0.9
59.01377	2.7
61.98837	6.0
69.60542	2.5
71.01393	1.2
73.02947	5.0
78.95908	6.0
82.02991	5.7
83.01395	1.1
84.04564	1.4
88.04083	0.8
101.02430	0.8
110.02491	10.0
110.06135	1.3
111.05678	1.7
112.04079	1.6
117.00562	1.5
117.01946	11.3
119.05061	6.5
124.03986	1.0
125.03574	12.5
127.05117	1.0
129.00410	0.9
129.10394	0.8
130.08742	1.9
131.02016	7.4
131.08266	2.6
138.04378	2.6
139.05136	4.0
140.03549	1.7
143.05051	1.7
145.06192	1.3
152.04961	0.8
153.03090	3.0
154.05135	1.6
154.91512	1.2
156.99930	13.0
158.00008	0.7
167.04636	100.0
168.01572	1.1
168.04988	1.5
170.03287	0.8
172.97803	0.9
173.10406	1.1
174.00790	1.6
174.96619	1.2
194.06219	0.8
196.99405	0.8
197.03130	0.9
197.03712	0.8
197.05699	12.9
198.05577	1.9
198.90649	0.7
199.00955	0.9
230.08870	0.9
240.06668	6.8
240.13402	0.8
256.23752	5.2
257.02066	1.4
257.04965	1.4
257.07788	11.5
258.08212	1.2
258.14545	1.4
258.18219	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0823
Annotation	Cochinolide
Peak:m/z	Relative Intensity
65.00333	10.5
65.03970	42.2
66.04306	0.8
66.60451	0.5
67.01895	0.6
68.99815	1.0
72.90565	0.5
78.28393	0.5
83.01417	0.7
87.77946	0.5
90.47960	0.5
96.99326	1.0
107.05041	100.0
108.05372	2.1
111.00895	4.3
115.05579	0.7
117.03488	1.8
119.05035	12.6
120.05299	0.6
124.98868	0.8
127.00379	1.3
136.98807	4.2
141.07115	1.1
143.05022	3.3
145.06644	4.2
151.03999	0.9
152.98410	0.9
157.06647	1.0
158.03717	0.6
169.06628	1.1
171.04543	1.1
171.08209	0.9
172.05243	0.6
185.06090	1.4
187.04079	1.8
197.93874	0.5
201.02084	0.8
201.05620	1.0
206.12910	0.6
213.05566	2.8
213.09222	5.9
229.05104	0.7
256.23648	0.6
257.01047	1.1
257.04602	14.5
257.08224	25.3
258.05063	0.7
258.08499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.146
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
58.02979	8.2
59.01371	1.0
59.10248	0.7
59.18991	0.7
61.98836	4.6
69.37589	3.9
70.02985	10.4
74.02480	8.1
78.95921	9.1
82.02988	2.8
82.06636	0.8
84.04527	0.8
86.54939	0.7
87.05646	2.2
88.04046	3.1
96.96973	4.9
99.92599	0.8
101.07201	1.6
103.74865	0.7
114.09255	1.5
124.04046	1.1
127.05131	4.2
130.08755	81.5
141.10367	3.0
141.11426	0.7
142.05113	0.8
143.11905	12.8
145.09822	2.3
153.10390	1.2
155.11911	3.8
165.93123	1.5
169.09825	1.1
183.11406	1.9
183.13301	0.7
196.14548	9.3
197.12971	12.2
197.14771	1.5
197.90308	1.0
214.15672	4.9
214.19254	3.8
214.21045	0.7
241.11990	4.9
245.11012	0.7
257.99496	2.8
258.14600	100.0
258.18185	12.2
259.02231	1.7
259.12595	1.1
259.14969	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	259.0227
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
51.63559	0.1
59.01374	0.2
62.96410	0.1
69.33996	0.1
71.01394	0.2
71.38744	0.1
78.95911	100.0
80.96519	0.4
87.00854	0.1
96.96971	42.2
101.02473	0.3
138.96976	0.2
138.98039	3.9
168.99115	0.6
171.00613	0.4
172.00970	0.2
178.95993	0.3
185.36148	0.1
196.92592	0.4
198.90575	3.1
199.00145	0.6
199.90642	0.2
214.93678	1.8
216.90508	1.1
234.92061	0.1
237.27478	0.1
240.91626	2.6
240.93918	0.2
240.98714	0.3
241.01187	3.9
241.91873	0.2
242.01472	0.2
243.83693	0.1
258.92719	3.9
259.02246	20.9
259.92670	0.3
260.02573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22915	5.3
65.00327	50.3
67.01902	8.7
68.99828	8.8
69.03460	9.9
70.16620	11.1
80.15885	5.2
81.03461	100.0
83.01390	14.2
109.02950	23.8
111.00887	17.5
121.18832	6.2
136.98795	8.4
143.05054	14.7
145.02957	11.8
145.06578	17.5
149.02469	12.6
153.01918	21.6
159.04503	10.9
159.46017	5.2
161.06116	6.7
171.04532	41.0
178.62544	5.1
187.04051	35.5
187.07642	95.3
213.05576	78.9
215.03502	22.0
215.07060	13.4
241.05070	19.4
254.81818	5.5
259.02313	7.5
259.06024	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	259.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04117	2.2
58.04097	6.2
59.01387	7.3
61.98827	9.1
64.01077	1.9
69.67892	5.0
69.68279	2.8
71.75777	2.2
75.27881	2.0
78.95898	10.7
81.98148	2.3
82.11503	2.1
83.01355	2.2
83.06149	2.5
84.40057	2.1
91.14333	2.0
93.50072	2.0
96.96976	9.9
97.02986	1.8
97.04074	4.2
98.22517	3.3
101.02461	5.4
112.08813	100.0
113.07208	13.9
114.05619	21.5
130.08775	18.7
131.09065	4.3
155.09425	19.1
156.07796	6.8
157.06235	6.4
173.01346	3.8
183.08923	3.2
198.99248	16.5
199.08391	26.5
214.62489	2.3
215.11552	3.1
217.08385	25.7
218.08794	2.2
231.09050	11.3
232.08739	2.8
241.63210	2.2
258.92603	2.9
259.01859	7.1
259.08075	20.8
259.10513	99.8
260.08093	3.0
260.10788	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	259.119
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
57.03450	1.6
58.00595	0.7
59.01387	14.2
66.77564	0.5
69.03455	1.8
69.19404	0.6
71.01387	9.1
71.04659	0.5
71.05025	6.6
73.02569	0.7
73.02957	9.0
81.03456	0.6
81.47163	0.5
83.05023	2.6
85.02960	1.2
87.04522	1.3
92.42996	0.5
95.05081	0.8
97.02962	2.4
97.06605	7.4
99.04538	3.5
99.08137	0.7
100.05326	0.9
101.06097	11.7
107.08657	0.8
109.06585	1.5
111.04514	1.2
113.06110	7.6
115.04028	15.8
115.07664	1.1
117.03451	1.2
119.05038	0.8
119.11988	0.5
123.08150	0.6
127.07629	0.6
130.08759	1.0
135.11800	1.8
140.68813	0.6
143.05016	0.6
144.59402	0.6
145.05093	6.8
161.02425	0.9
161.09785	0.6
169.12381	0.7
175.04024	0.7
179.10773	6.8
195.10385	0.6
197.11848	7.0
202.16766	0.5
215.12920	7.8
220.70729	0.6
223.09773	1.0
231.03015	1.8
241.10847	12.2
241.13287	0.7
259.02689	3.2
259.11880	100.0
260.12164	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	259.1303
Annotation	Glu Leu
Peak:m/z	Relative Intensity
58.02985	0.7
59.01379	1.8
68.75410	0.5
71.01392	1.3
71.19424	0.7
76.58604	0.5
78.95902	3.6
82.02994	4.7
82.06639	1.6
84.04552	2.5
86.09689	0.5
96.96980	1.2
98.21987	0.6
100.04063	1.5
101.02495	0.6
101.07214	2.2
102.05618	0.9
104.94733	0.5
110.02509	0.6
112.04051	1.6
114.09327	0.6
118.75974	0.5
126.72467	0.6
127.05143	2.4
128.03555	10.3
129.10390	0.8
130.08757	100.0
131.09093	1.2
136.11404	0.5
140.07182	1.0
141.10349	3.8
154.12389	0.9
167.11926	0.6
169.13460	1.0
171.15065	8.5
180.10313	2.8
197.12976	20.5
197.14796	1.1
198.13356	0.8
198.99318	0.7
204.04391	0.5
215.14050	2.1
217.09648	0.5
241.11966	40.9
242.12305	1.5
259.13016	22.5
260.13452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.13
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
50.67990	1.2
58.02971	2.6
59.01391	9.8
61.98835	8.7
71.01379	3.5
73.75763	1.4
78.05846	1.4
78.95908	80.1
82.06609	6.8
84.04530	4.6
84.94318	1.8
85.02938	1.8
87.05612	4.4
88.04058	8.5
96.96967	50.4
98.16476	1.5
99.00896	1.7
100.04024	1.7
101.02453	14.8
102.05618	28.7
112.04035	3.7
112.07691	2.7
113.07261	1.8
127.05094	2.8
128.03549	55.4
129.06697	5.3
129.10349	34.0
130.05095	12.0
130.08748	100.0
131.02011	2.3
133.01718	1.9
138.97972	4.7
145.09772	3.4
146.04602	5.3
154.12338	6.7
156.91318	1.5
156.99968	3.5
158.99651	3.7
159.05641	1.5
167.04663	2.0
168.99147	1.9
169.05089	3.0
171.15039	22.2
172.97772	1.7
173.01309	8.5
173.09302	1.6
176.94249	3.2
176.98087	3.4
181.06186	8.9
197.12987	9.6
198.90512	6.4
198.99249	50.4
201.12610	1.7
211.68542	1.4
215.10434	2.9
215.13989	28.3
215.19441	2.1
220.91931	1.6
240.91483	4.4
241.01027	2.4
241.11940	29.3
241.14137	2.8
255.04216	1.6
258.18271	2.0
258.92477	5.3
258.94815	5.6
259.02206	13.1
259.08987	6.0
259.12939	76.4
259.18637	8.5
260.13348	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	259.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24144	1.6
58.02983	17.6
59.01383	7.9
60.99313	2.0
69.32634	8.8
71.05044	1.8
72.00906	2.5
74.02483	84.2
76.90092	1.7
78.95946	4.3
80.96535	7.3
82.96127	4.3
86.34071	1.7
96.00883	1.8
104.03544	27.5
109.06659	1.8
117.03497	2.4
126.09256	3.3
129.10370	3.2
130.08755	3.9
138.25317	1.6
139.63696	1.8
143.11925	100.0
152.07199	2.3
154.08772	19.7
155.11920	88.9
167.11937	2.9
171.11377	2.5
172.09821	8.9
173.12975	6.9
173.40399	1.8
185.13013	14.8
187.10901	4.8
197.12987	27.9
198.99321	2.1
211.10951	4.0
221.84326	4.2
223.84018	1.8
229.11955	99.0
259.02634	2.0
259.06085	2.4
259.13043	62.0
260.13419	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	259.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	2.1
59.01376	1.6
69.33701	1.5
69.34111	1.6
70.02988	1.1
71.45541	0.5
73.04073	5.8
78.95932	1.2
82.02972	1.0
84.08192	1.1
85.89385	0.7
96.96972	1.4
98.02489	11.5
98.21840	1.2
119.05043	1.7
126.09274	0.6
128.03532	1.3
130.08749	100.0
131.09119	1.8
134.79988	0.6
143.11911	93.4
144.12228	1.3
153.01942	0.7
155.11919	6.9
185.12971	8.5
187.03979	1.5
187.10899	3.0
195.85268	0.6
197.12956	1.6
229.11945	93.7
230.12280	2.7
241.11967	1.6
259.02231	1.0
259.13092	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	261.0406
Annotation	2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
53.01762	0.4
59.01376	0.4
61.24295	0.4
67.01903	0.6
70.05715	1.3
74.02481	1.0
74.67327	0.4
81.03444	1.0
81.96478	0.4
83.01402	0.8
87.05642	0.8
99.05661	0.6
107.01411	1.6
108.02197	0.4
109.02964	65.9
110.03298	1.3
112.04067	0.9
132.02194	2.3
133.02972	86.9
134.03365	1.9
140.07175	0.6
145.06599	1.5
146.03725	1.0
147.04448	0.7
151.04094	1.1
155.08221	1.1
160.73051	0.5
161.06108	3.9
165.06728	0.5
171.04565	0.6
173.06004	0.7
174.03201	5.2
175.04024	6.6
177.01982	1.1
183.07813	2.3
189.05595	24.0
202.02759	0.6
217.05075	100.0
218.05438	4.1
227.06802	1.5
261.04034	12.9
261.11438	0.6
261.15201	0.5
262.04523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0412
Annotation	Ancistroquinone F
Peak:m/z	Relative Intensity
59.01371	5.9
60.00928	2.3
71.01384	3.6
72.00915	9.3
74.02476	24.4
78.95917	3.6
83.05041	6.9
88.04039	7.7
90.13597	2.1
97.06579	3.8
99.05644	2.7
100.66927	2.0
101.02453	3.0
116.05074	50.1
117.61177	1.9
127.03971	2.2
129.10390	6.5
130.06625	3.4
130.10677	2.9
142.06653	12.0
159.09264	10.7
167.03455	4.0
178.96051	2.5
189.07031	4.6
203.08287	100.0
216.10777	4.1
225.06503	9.4
261.04166	41.8
261.09009	7.8
261.13300	10.5
261.22287	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	261.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	20.8
59.01370	10.2
68.05071	5.8
71.41175	6.5
74.02480	73.4
78.95903	50.6
79.95734	5.7
82.02991	24.3
83.01395	25.6
84.00905	6.0
86.06116	6.8
87.05648	58.1
96.04547	34.4
96.96994	6.1
97.04073	30.6
98.02484	22.2
99.05654	38.1
100.00401	6.0
101.02469	9.0
108.04568	22.9
110.02492	10.0
112.04054	39.5
112.07706	24.3
112.08521	4.7
113.03573	25.9
114.15246	5.3
122.06102	6.6
124.04072	15.5
125.03602	11.5
125.04877	8.3
126.04359	6.4
126.05650	13.2
127.05128	28.2
131.04565	8.4
136.94022	15.3
136.94968	7.0
137.07198	13.5
140.07187	46.6
142.03410	6.4
143.04645	11.4
145.02991	5.4
147.04509	13.4
152.03535	12.7
155.08270	68.0
160.00726	7.7
164.07208	33.2
165.06703	63.4
169.06131	8.2
173.06068	5.7
173.09941	4.9
177.03191	6.2
178.96329	30.5
181.06303	6.1
183.07745	100.0
183.09219	7.6
197.05617	6.8
215.06740	12.0
227.06783	90.8
261.05823	27.8
261.22284	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	262.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03409	0.5
59.01380	2.6
59.38700	0.5
70.75724	0.5
72.00916	14.9
75.00877	2.1
85.02962	1.0
88.20749	0.5
91.05547	1.5
96.04546	2.4
103.05546	1.4
103.92040	1.1
114.92025	0.6
122.58982	0.5
147.04541	42.1
148.04881	1.3
164.07181	100.0
165.07556	2.7
170.97540	0.7
261.22183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0721
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
55.52363	0.6
59.01377	2.3
69.15722	4.2
71.01382	15.1
74.53131	0.7
85.25468	0.7
89.02448	1.0
93.03457	0.8
96.04553	0.7
102.68094	0.7
109.02954	1.4
110.03314	1.0
115.00392	22.0
130.06696	0.8
131.05054	5.9
133.03003	1.7
134.03262	1.1
146.06134	100.0
147.04546	20.1
147.06473	2.3
148.04890	0.8
156.08203	5.2
171.81592	0.8
174.09203	5.4
200.07185	11.6
218.05554	2.0
218.08231	51.1
219.08665	2.4
231.91592	0.7
244.06169	0.7
262.07233	51.5
263.07437	1.7
275.02960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12200	0.2
55.28812	0.2
64.95753	0.2
69.12247	1.4
79.95729	3.5
79.96165	0.4
80.96532	1.0
124.10276	0.2
166.95047	0.3
169.06578	1.0
170.07333	0.8
173.98135	0.3
199.11319	2.3
205.83018	0.2
206.00385	0.7
233.02792	40.1
234.03548	18.2
235.03871	0.6
247.04382	0.5
248.05086	1.0
263.07489	100.0
264.07822	4.8
266.02588	0.9
274.81400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54337	2.0
52.45012	2.1
52.64501	2.7
52.93863	2.7
55.79193	2.3
59.01386	100.0
69.11858	14.8
69.87562	2.4
101.02837	2.2
202.04762	2.4
245.00816	2.6
263.12885	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05999	1.6
51.63887	1.9
52.52822	1.7
59.01385	100.0
69.11898	3.1
69.12305	8.9
73.02950	2.7
86.94249	1.7
95.28589	1.9
105.32674	1.9
133.02980	2.7
158.69121	1.7
193.83879	2.0
215.83330	1.7
215.85683	2.0
229.76382	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16571	2.2
57.03448	8.0
59.01386	100.0
60.13580	2.6
69.36521	10.2
71.01397	4.2
72.99319	5.2
77.90417	2.2
79.95745	35.4
79.96173	4.4
80.96533	6.1
83.01401	9.6
85.03017	2.4
93.03465	3.4
93.24667	2.1
96.96036	11.1
98.21879	4.1
101.02444	3.0
101.30339	2.5
108.02206	3.4
111.00876	6.7
117.03480	2.4
119.05005	7.3
121.02969	3.4
131.05061	12.8
133.02945	5.8
133.06577	3.7
135.04524	9.4
136.07768	2.3
139.00436	4.1
145.02939	3.2
145.06682	3.7
147.04500	9.3
147.08159	4.4
149.02486	4.2
149.06120	2.8
157.01436	2.7
157.06590	7.2
159.04527	3.2
160.05409	3.1
161.02460	4.6
173.02473	4.2
174.03226	4.1
175.03972	23.9
175.07655	12.2
175.11293	7.3
201.01965	5.9
201.09244	4.2
210.09415	3.5
219.01154	4.0
219.03044	8.9
219.06673	13.6
219.10237	14.1
219.13826	4.1
236.10861	13.7
245.04446	2.4
255.02971	2.5
263.00177	9.8
263.05856	11.2
263.09177	19.4
263.12924	9.3
264.10403	28.3
283.02551	3.3
284.03036	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	263.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.41120	0.7
61.08067	0.7
69.23132	1.6
69.23534	2.8
73.02946	5.0
75.00892	0.9
83.01395	16.4
115.04016	19.2
135.21655	0.6
157.05086	1.2
159.39012	0.7
164.84958	0.7
171.04587	1.2
219.30563	0.7
221.08255	1.1
263.09549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
69.92905	1.2
69.93271	1.2
72.00930	1.0
73.02975	1.0
74.96436	1.8
78.95915	1.0
81.71150	0.6
83.01399	0.7
89.94072	0.6
91.04964	0.9
91.05538	12.7
93.45892	0.6
98.06157	1.2
98.21971	0.8
110.94133	8.1
115.08789	87.3
116.07134	0.7
116.09098	1.2
147.04547	21.1
147.06802	1.3
148.04922	0.8
164.07178	13.7
168.94595	1.3
169.34801	0.7
204.92299	11.4
219.15051	6.5
222.40570	0.6
226.88925	0.7
263.14032	100.0
264.06036	0.8
264.14316	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	263.1503
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.83860	1.2
55.01883	13.5
57.03457	9.6
58.00606	2.3
59.01388	100.0
60.01730	1.0
65.83441	1.0
69.03464	1.7
71.01392	84.2
72.99315	2.5
73.02956	43.1
75.00863	2.0
79.95754	1.6
83.01400	25.4
85.02967	50.2
86.00102	3.6
87.00903	4.2
89.02470	4.3
93.03484	2.7
95.01408	6.2
96.96056	1.7
97.02955	2.2
99.00896	17.4
99.08202	2.9
101.02459	97.8
101.09734	2.7
102.99921	1.0
111.00900	4.6
113.02466	38.0
129.02000	1.9
132.52261	1.0
133.02992	9.3
135.04553	2.9
137.29280	1.2
142.99849	1.3
143.03481	2.0
151.03975	2.1
157.02959	4.6
159.03017	5.3
161.04593	20.3
171.10352	1.1
245.00981	3.7
263.01974	3.7
263.09589	2.1
263.15094	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	264.0877
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
50.28986	1.4
51.32284	1.7
52.63260	1.3
59.01365	2.1
70.60199	2.4
72.04554	22.2
79.31474	1.3
82.02993	100.0
85.02982	1.4
87.28620	1.5
90.23682	1.3
98.02487	34.0
99.60893	1.4
100.04058	43.1
119.05041	41.8
161.02377	1.7
161.36992	1.4
177.05524	3.1
178.05096	3.6
192.10321	6.6
218.08228	10.1
220.09833	20.3
246.22066	1.4
262.16394	1.3
264.08783	46.3
264.16061	3.4
265.03671	1.4
265.09085	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	265.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.9
56.42794	0.6
57.03447	0.7
58.00599	1.1
59.01385	100.0
71.01388	42.3
71.38750	0.8
72.99323	1.6
73.02950	0.8
78.03496	1.1
78.95935	1.4
83.01411	2.6
83.76067	0.6
85.02956	8.0
87.00896	1.7
89.02453	53.0
95.01389	3.3
95.85671	0.7
96.96041	1.2
96.96963	1.2
101.02451	26.2
101.03111	1.3
103.04044	2.1
104.03597	0.7
113.02469	16.5
119.03522	24.5
121.02889	0.7
122.02501	20.3
123.02844	6.2
125.00160	1.0
131.03546	1.6
138.49515	0.6
143.03551	2.3
149.04570	1.6
161.04637	2.0
179.05685	2.1
247.93941	0.7
265.03882	2.6
265.09323	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	265.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02072	0.8
57.03456	1.7
58.00589	1.2
58.68836	0.8
59.01386	100.0
61.87923	0.8
61.98840	1.0
70.64280	1.8
71.01389	49.0
72.97221	0.8
72.99323	1.8
73.02965	2.1
74.02486	2.0
78.95898	5.5
83.01405	2.3
83.21432	1.1
85.02961	37.6
85.04067	2.5
87.00900	2.3
89.02457	55.6
95.01405	3.9
96.96958	1.3
98.02496	1.2
101.02452	23.6
103.04044	1.7
111.02058	1.4
113.01714	1.5
113.02460	19.1
113.09219	0.7
116.27242	0.8
119.03522	21.0
122.02478	2.0
131.03525	2.1
133.01599	0.8
134.04736	3.9
143.03485	2.3
145.06198	1.3
149.04523	1.0
150.04245	3.7
161.04570	2.5
165.06728	1.6
179.05592	3.9
187.97902	1.1
200.80582	0.9
221.09322	6.5
265.04388	0.9
265.09415	10.0
265.12131	2.4
266.09048	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	265.1195
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
53.31318	1.7
56.97236	1.9
59.01379	6.5
71.01398	3.0
72.00920	4.6
73.04078	100.0
74.02480	3.2
82.02982	1.8
85.02978	1.8
91.05540	3.4
92.75192	2.2
96.96000	5.8
96.96948	2.2
101.07217	3.0
109.04081	2.0
119.05036	6.6
127.05145	19.6
128.03528	1.9
134.04759	2.7
145.02972	7.3
145.06178	5.3
147.04543	27.2
163.04001	2.3
164.07176	54.5
177.10384	2.7
184.77425	1.7
201.63893	1.7
205.05135	2.0
209.74741	1.8
221.09323	86.3
222.09778	2.9
240.32323	1.9
247.10886	8.5
265.11948	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1237
Annotation	Magnolol
Peak:m/z	Relative Intensity
57.55811	0.2
60.68365	0.2
69.10184	1.2
69.52068	0.2
70.79102	0.2
79.95747	0.7
81.30386	0.2
89.24243	0.2
96.96020	27.3
119.05048	0.3
128.67404	0.2
223.07706	0.7
224.08449	0.4
243.08125	0.3
245.09726	7.2
246.10303	0.6
247.11295	17.7
248.11636	1.1
259.72104	0.2
265.12350	100.0
265.14838	17.2
266.12689	5.8
266.15137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.3
55.08749	2.2
57.03455	6.7
59.01381	85.6
60.01714	2.1
61.98829	9.0
62.15293	2.3
71.01385	89.4
72.99294	2.4
73.02948	47.2
75.00884	9.6
75.27991	2.1
75.35339	1.8
78.95908	4.1
81.17677	1.9
83.01389	20.9
84.70148	2.2
85.02959	58.7
85.91787	1.8
87.00855	5.6
89.02444	8.9
95.01405	8.0
96.96013	4.9
97.02998	2.2
99.00893	14.7
101.02450	100.0
102.02786	2.4
103.07619	2.3
107.03836	2.1
111.00895	4.6
113.02457	45.0
118.97572	2.2
119.03522	2.5
125.02444	2.7
129.01999	4.3
134.04732	5.1
143.03481	2.6
144.95517	3.3
159.02997	9.7
159.53069	1.9
161.04565	33.7
177.09207	2.3
201.47404	2.1
207.05048	13.2
265.01312	3.4
265.03961	4.8
265.07120	4.0
265.12845	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15703	0.2
62.09999	0.2
65.62825	0.2
70.06336	0.6
70.06672	0.3
71.65398	0.2
79.95742	2.2
86.20749	0.3
87.34272	0.2
95.95245	0.8
96.96017	100.0
97.95943	0.3
98.22020	0.4
127.11224	0.3
265.14795	67.1
266.15112	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00698	0.2
59.02730	0.2
65.15031	0.2
68.42297	0.2
69.06084	1.6
79.95736	1.9
88.32581	0.2
89.93339	0.2
95.95259	0.7
96.96020	100.0
97.95955	0.3
159.05034	0.2
220.89737	0.2
265.14801	68.0
266.15103	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	265.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29246	0.3
66.53233	0.3
67.18900	0.4
69.15852	2.0
70.90923	0.3
73.51140	0.3
79.95741	2.5
96.96021	100.0
168.94283	0.3
252.50000	0.3
265.14804	79.2
266.15137	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95955	0.3
51.04733	0.2
56.64370	0.3
58.17700	0.2
69.82767	0.9
79.95721	2.1
95.95256	0.7
96.96020	100.0
98.22619	0.4
145.74820	0.3
224.88269	0.3
230.27325	0.3
265.14807	62.4
266.15146	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77526	0.2
55.54633	0.3
57.27876	0.2
69.80199	0.3
79.95740	2.3
95.95246	0.4
96.96022	100.0
137.17133	0.3
145.56616	0.2
153.25276	0.3
208.41350	0.3
265.14807	66.7
266.15103	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	266.0897
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.21356	0.2
53.04542	0.2
54.06767	0.2
65.01434	0.2
65.12499	0.2
66.71607	0.2
68.62514	0.1
71.01894	0.2
77.35382	0.2
78.95902	0.2
86.92426	0.2
92.02562	1.6
96.60683	0.1
107.03652	5.4
134.04741	100.0
135.04187	0.3
135.05206	1.1
136.26341	0.2
151.02661	0.8
266.08945	10.3
267.07007	0.2
267.09415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1036
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
57.03447	2.3
59.01374	1.7
72.04556	9.5
72.99320	1.1
76.18642	0.9
79.95722	1.4
80.96518	1.1
82.02991	99.7
83.03304	2.1
84.04564	2.0
85.02962	12.8
85.09154	1.0
86.69007	0.9
87.00877	1.2
93.03489	1.2
96.96013	1.1
98.02489	4.5
100.04056	52.2
101.02452	4.1
102.05581	2.1
106.04285	1.3
107.05032	1.5
109.06621	1.0
119.05041	45.7
128.03548	19.4
129.01958	8.7
133.06548	0.9
135.08173	3.0
136.07718	2.1
137.00688	2.0
143.27248	0.9
151.11256	2.0
161.09752	1.8
165.86844	0.9
168.92651	0.9
178.08665	1.9
179.10796	3.5
192.03035	1.2
192.10286	2.9
204.10336	1.4
207.05429	1.2
207.88962	1.0
220.09804	52.8
221.10135	1.8
222.12033	1.0
223.06139	1.1
223.09773	3.4
248.09282	21.1
266.07230	4.7
266.10342	100.0
267.08514	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	267.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
61.98832	1.5
70.91254	0.7
71.01385	0.6
78.95910	1.7
81.04613	0.8
82.69177	0.3
89.02470	0.8
93.04581	0.6
96.96025	0.5
96.96974	0.6
102.75780	0.3
108.01368	0.7
108.02056	11.2
108.05692	0.5
109.20884	0.4
110.07272	1.1
125.00140	2.2
126.03126	0.7
130.08745	1.5
131.08296	0.5
134.04794	0.6
135.03169	1.7
136.05116	0.4
147.96573	1.1
150.04254	0.6
151.02631	100.0
152.02979	1.2
168.01816	0.4
172.67097	0.4
177.04176	3.8
185.03029	0.6
193.03593	0.7
204.84808	0.4
207.04044	0.5
207.69080	0.3
214.02393	3.7
223.15720	1.0
225.00485	0.4
231.05017	2.6
258.01459	0.4
267.07346	26.3
267.14542	2.6
268.03903	0.4
268.07626	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0738
Annotation	formycin b
Peak:m/z	Relative Intensity
52.38936	0.2
54.02648	0.2
57.34573	0.2
59.01382	0.6
61.85934	0.2
61.98851	0.3
65.99879	0.2
70.86491	0.3
71.01417	0.3
78.95929	0.3
81.04581	0.3
102.38682	0.2
107.02520	0.2
107.03664	0.2
108.02052	10.8
109.75941	0.2
110.07343	0.2
113.02510	0.2
125.00151	0.4
126.03107	0.4
130.08752	0.4
134.04739	2.6
135.05196	2.0
150.01851	0.4
151.02634	100.0
152.03142	1.2
167.93994	0.2
171.27060	0.2
177.04202	2.9
193.03439	0.2
214.02406	0.5
219.52440	0.2
231.05000	0.4
249.06241	0.3
267.07349	24.9
267.14670	0.5
268.07556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82993	0.3
63.02391	0.3
65.00330	5.8
66.01101	0.8
68.99821	1.0
69.94022	0.3
69.94361	0.5
72.99305	0.3
81.48906	0.2
82.00619	3.0
91.01935	0.2
92.99839	0.7
94.00616	1.0
95.01390	3.6
96.99332	1.0
98.22605	0.3
110.00106	24.5
110.64731	0.3
111.00446	0.6
115.05544	1.4
119.01408	4.5
120.99337	0.7
122.00076	1.3
125.02466	0.4
135.00894	4.8
136.98822	1.9
137.99611	3.5
139.05554	6.8
141.03444	0.4
141.98941	0.3
142.04231	0.3
143.05093	0.5
148.98836	0.7
149.99564	0.4
154.04218	0.3
155.04994	0.3
156.05843	0.5
163.00388	37.3
164.00699	0.9
164.98280	2.8
165.99089	12.0
167.05061	2.1
169.02959	0.5
171.04527	3.5
172.05295	0.6
178.04277	0.6
180.05821	0.5
182.03735	0.9
183.04521	0.7
184.05313	7.0
190.99902	1.0
195.04532	3.0
196.05325	3.9
198.03226	4.5
199.03941	0.8
200.53850	0.2
211.04007	5.1
212.04776	1.9
213.05518	0.5
223.04018	1.6
224.04807	2.0
239.03487	7.5
240.04294	2.2
241.05032	0.5
241.11691	0.2
250.02832	0.3
267.03009	6.2
268.03784	100.0
269.04352	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	268.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19489	0.2
54.31369	0.2
59.22582	0.2
63.02425	0.2
65.00328	5.5
66.00700	0.2
66.01107	0.4
68.99821	0.8
69.97040	0.5
72.99296	0.3
77.00372	0.2
82.00607	2.7
92.99809	0.4
94.00614	0.7
95.01398	2.6
96.99320	0.5
101.04017	0.2
110.00105	16.3
115.05537	0.7
119.01394	3.2
120.99339	0.6
122.00089	0.5
125.02477	0.4
135.00908	4.1
135.01920	0.3
136.01300	0.2
136.98828	1.8
137.99629	2.3
139.05551	4.4
141.80870	0.2
141.99081	0.2
142.04300	0.2
143.05049	0.5
145.02974	0.6
146.03339	0.7
148.98772	0.4
149.99574	0.4
153.03464	0.2
154.04297	0.3
155.04953	0.2
156.05826	0.3
163.00388	27.7
164.00705	0.5
164.26933	0.2
164.98312	3.7
165.99088	7.9
167.05013	1.6
169.02948	0.3
169.06584	0.3
171.04518	2.5
172.05070	0.7
178.04213	0.5
180.05820	0.4
182.03694	0.4
183.04517	0.6
184.05312	5.4
185.05667	0.3
190.99962	0.4
195.04517	2.2
196.05310	3.2
197.06049	0.3
198.03227	3.6
199.03934	0.3
211.03995	3.6
212.04768	1.7
213.05515	0.3
223.04028	1.5
224.04814	2.0
225.05624	0.3
227.03543	0.2
239.03491	5.5
240.04065	3.6
241.05005	0.7
244.03745	0.2
251.03467	0.4
266.94543	0.2
267.03018	3.8
268.03766	100.0
269.04456	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	268.0981
Annotation	N-Benzoyl-D-phenylalanine
Peak:m/z	Relative Intensity
56.17080	0.7
56.92682	0.7
59.01339	0.9
61.98830	0.9
65.00318	0.9
69.37094	3.9
81.54333	0.9
85.44763	0.7
89.91646	0.7
91.05544	43.6
92.05067	1.9
92.05885	1.2
97.02782	0.8
102.03501	3.4
111.95360	0.7
116.05033	1.1
117.03477	2.7
120.04566	53.3
121.04919	0.7
124.51970	0.7
130.78760	0.8
132.04567	10.6
133.05371	3.7
135.04524	2.0
147.04532	13.3
149.02451	1.2
177.95497	0.7
186.95599	0.8
195.08205	1.5
210.19952	0.9
222.09360	1.2
224.10826	63.0
225.11107	3.4
255.83321	1.0
268.03729	3.5
268.09811	100.0
268.19891	1.8
269.04556	14.0
269.10165	6.1
269.21399	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	268.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	45.4
60.04680	7.1
62.96423	21.6
69.89504	14.1
71.01388	8.8
78.95890	7.1
92.05061	10.1
98.21976	9.3
101.02489	8.1
107.01430	7.8
108.02183	25.2
123.04530	18.1
128.53758	8.0
128.93329	13.6
136.04025	13.4
151.00400	29.9
152.01175	34.4
166.02713	37.1
167.03503	48.7
168.65781	7.3
194.02220	28.4
195.02982	10.1
209.04565	100.0
221.97534	27.2
222.96964	14.0
238.40930	8.3
249.97096	9.3
268.03714	16.7
269.04556	13.1
269.06808	89.2
269.21301	9.5
272.32843	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	269.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	63.4
66.00647	0.7
67.01933	0.4
69.16869	2.6
82.53249	0.6
85.88011	0.5
92.99825	10.5
96.99316	16.8
98.21925	1.2
105.86262	0.4
108.99315	2.4
120.99310	5.3
127.05610	0.7
136.98816	35.7
137.99135	1.1
141.07137	0.6
143.05164	0.5
145.06601	0.5
149.99637	1.6
153.07095	0.4
155.05046	0.6
164.98305	89.5
165.98637	2.0
169.06577	1.5
171.04553	3.2
177.99077	3.4
183.04515	0.5
183.06194	0.4
197.06073	1.6
199.04024	5.9
213.05592	2.1
225.01924	0.5
225.05516	2.4
227.03534	3.3
241.05093	7.3
269.04559	100.0
270.04953	6.3
270.07837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99115	0.6
65.00333	68.3
66.00671	1.2
68.49541	0.5
70.84030	0.6
92.99829	11.1
96.99319	16.1
108.99342	4.6
120.99695	17.1
122.00113	0.7
136.98819	39.9
137.99202	0.7
141.03453	0.9
141.07140	0.9
143.05099	0.8
145.06557	0.9
149.99603	1.7
160.92780	0.6
164.98312	89.4
165.98676	2.0
169.02942	1.4
169.06569	1.0
171.04523	3.1
177.99049	4.8
178.36508	0.6
197.06102	2.1
199.04060	6.8
213.05605	2.5
225.01869	0.9
225.05542	2.3
227.03555	3.2
236.90846	0.6
241.05070	7.0
269.01160	6.0
269.04562	100.0
270.04987	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	269.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11569	0.5
62.20210	0.5
65.00329	65.3
65.12901	0.5
66.51382	0.5
67.14697	0.5
70.09740	1.9
77.54952	0.5
92.99828	11.0
96.98732	1.1
96.99325	14.9
108.99296	2.7
110.00076	1.0
120.99329	7.1
136.98820	37.3
141.07088	0.9
143.05083	0.7
149.99593	1.1
157.97025	0.7
164.98305	83.1
165.98743	1.9
169.06558	1.2
171.04543	4.0
173.05998	0.7
177.99153	3.5
197.06065	2.1
199.04033	6.9
213.05614	1.9
225.05600	2.5
227.03624	3.1
241.05122	9.7
242.08171	2.1
269.04565	100.0
270.04916	4.8
270.07761	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	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71359	0.3
59.01367	0.7
63.02401	0.6
65.00331	2.1
72.99312	4.9
80.96506	0.4
81.03473	0.4
83.01393	0.9
91.01898	1.3
96.36980	0.3
105.03459	0.6
107.01408	3.6
109.99377	0.4
117.03470	14.3
118.03775	0.4
121.02970	1.3
128.85899	0.4
133.02968	12.7
135.00906	3.5
136.98782	0.5
140.93947	0.4
149.02444	6.0
151.00394	7.1
159.04536	0.8
161.02490	0.5
164.98251	0.4
169.06618	0.8
171.04440	0.4
180.05850	0.6
181.06639	1.1
183.04533	1.5
185.02486	0.7
186.95679	0.4
195.13959	0.6
197.06134	0.8
199.04050	0.6
201.01949	0.8
201.05605	1.1
211.21619	0.4
213.05553	0.6
217.76474	0.4
224.04848	0.6
225.05556	3.1
227.03491	2.6
241.01390	0.6
241.05052	1.3
251.03590	1.0
251.16637	0.4
269.04572	100.0
269.21124	1.4
269.24826	0.8
270.04919	5.2
278.13940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90280	0.6
65.00331	60.2
65.99847	1.0
66.00646	1.2
67.01947	0.5
68.99812	0.6
69.31261	3.1
87.98785	0.6
92.47957	0.5
92.99832	10.5
95.01388	0.6
96.99323	14.0
98.21813	0.6
107.01402	1.7
108.99300	2.0
109.01702	0.6
110.00114	0.7
110.02504	1.0
117.03477	4.4
120.00920	0.7
120.99347	5.3
121.01730	1.4
123.03264	1.6
134.02472	0.6
135.03246	0.8
136.00433	0.9
136.98819	33.3
137.99176	0.6
141.07140	0.6
149.02437	1.3
149.99580	1.3
151.00392	2.2
151.02795	1.4
163.00436	0.7
164.98309	74.9
165.00627	3.1
165.98671	1.8
169.06624	1.7
171.04523	4.4
177.99068	3.0
183.04552	0.6
197.06100	2.1
199.04001	4.6
201.05623	0.7
213.05583	2.4
225.05571	3.2
227.03545	2.3
241.05098	10.2
242.08238	7.2
269.04556	100.0
270.04868	4.6
270.07773	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	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	1.2
65.00311	2.8
67.01883	1.3
68.99839	0.5
69.97748	0.8
69.98107	0.6
83.01386	1.0
93.03499	0.5
93.59444	0.4
95.01378	1.8
100.27856	0.4
101.03992	0.8
105.03437	0.6
107.01408	3.8
117.03476	13.5
118.03807	0.4
118.15419	0.4
121.02934	1.1
123.00916	0.4
127.05552	0.4
129.07283	0.4
130.38469	0.3
131.36678	0.4
136.98828	0.8
139.00377	1.3
141.07095	0.5
143.05023	0.4
145.06569	0.5
149.02448	5.0
151.00398	5.9
155.05058	0.7
157.06557	0.4
159.04533	1.0
167.04973	0.4
169.06578	2.6
170.06952	0.4
171.04539	4.6
173.06131	0.9
180.05841	0.7
180.07732	0.4
181.06589	1.4
183.04533	1.5
185.06088	0.6
195.04469	0.5
197.06090	5.8
199.04066	1.4
201.05551	1.6
213.05588	2.1
224.04803	0.6
225.05580	4.8
227.03497	0.7
239.03447	0.6
240.04355	0.4
241.05045	2.1
262.08435	0.4
269.04565	100.0
270.04968	5.0
277.93829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20638	0.4
56.06679	0.3
64.23802	0.3
65.00327	4.3
67.19761	0.4
68.99828	0.5
69.32880	2.1
77.08637	0.4
78.50256	0.5
85.05279	0.3
95.01389	1.1
107.01375	0.6
108.99343	0.4
111.00889	1.1
112.94621	0.4
115.73663	0.4
117.03469	2.3
123.00886	1.4
136.98828	4.2
139.00426	3.2
141.07155	1.9
143.05052	1.4
145.02975	0.6
149.02457	0.6
151.00351	0.8
151.05530	0.7
157.06590	0.5
164.98239	0.5
166.99863	1.4
167.05063	2.0
169.06575	5.0
171.04506	2.6
171.08119	0.5
179.05096	0.7
181.06642	0.6
185.06158	1.0
195.04520	4.0
196.05309	0.6
197.06133	3.4
199.04092	0.8
207.04541	0.9
213.05597	1.6
222.89119	0.4
223.04053	5.0
224.04765	0.8
225.05690	2.0
240.04436	0.4
241.03148	0.5
241.05159	4.1
251.03503	3.3
262.36145	0.4
269.04572	100.0
270.04910	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	269.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05770	0.5
56.07872	0.5
65.00330	73.2
65.99847	5.3
66.00670	1.0
68.99807	2.7
69.54057	1.4
69.54448	1.0
81.02206	1.2
85.22946	0.5
92.99835	10.3
95.01400	0.9
96.00922	1.2
96.99317	17.3
98.22623	1.3
100.14362	0.5
108.99329	2.5
109.01711	4.0
110.00103	1.6
110.02497	2.7
120.00930	2.8
120.99316	5.7
121.01723	3.2
122.00148	0.6
122.02501	2.1
123.03265	6.3
127.05597	0.6
134.02504	4.0
135.03276	4.0
135.86154	0.6
136.00410	3.9
136.98820	41.7
137.99207	0.8
138.01987	2.9
141.07126	0.7
143.05093	1.1
149.99565	1.7
151.02756	4.4
155.02287	1.2
164.98312	90.5
165.00479	13.1
165.98627	1.7
166.01547	0.8
169.06625	2.5
171.04530	5.4
173.06078	1.1
177.99077	3.7
192.03003	2.8
197.06047	2.5
199.04002	6.2
200.07170	0.8
201.05647	0.7
213.05577	2.4
224.07217	1.0
225.05550	2.6
226.08777	1.8
227.03485	3.4
228.06778	1.4
241.05103	15.0
242.08249	25.8
252.06660	0.7
257.57138	0.6
269.04538	100.0
269.06897	6.4
270.04877	5.3
270.07684	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	0.6
65.00333	3.5
69.84396	0.6
69.84732	0.3
77.04017	0.3
83.01396	1.1
90.32899	0.3
91.01899	0.8
93.03497	0.3
95.01403	0.5
96.99330	0.3
98.22594	0.3
105.03465	0.7
107.01404	4.0
117.03479	14.1
117.09729	0.2
118.03795	0.5
121.02970	0.7
123.00898	0.3
133.02979	7.6
135.00905	2.1
136.98820	1.0
139.00444	0.6
141.07133	0.5
141.25526	0.3
149.02451	4.6
151.00385	5.9
151.05649	0.3
157.06575	0.4
159.04530	0.8
164.98315	1.2
166.99707	0.4
167.05048	0.3
169.06606	1.3
171.04514	0.9
181.06627	1.3
183.04486	0.8
185.02454	0.3
195.04506	0.8
196.05258	0.3
197.06067	1.2
199.04034	0.8
201.05591	0.9
208.18925	0.3
213.05522	0.8
223.04121	1.4
224.04803	0.3
225.05612	2.9
227.03560	1.7
240.04221	0.3
241.05031	1.8
251.03539	0.9
269.04565	100.0
270.04922	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	269.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81294	0.2
58.87212	0.2
59.32091	0.2
61.44012	0.2
65.00331	6.7
67.01884	0.7
68.99819	0.7
69.54060	0.8
69.54411	0.3
79.01926	0.3
92.99821	0.4
95.01409	1.4
96.99306	1.2
98.21935	0.5
98.65125	0.2
101.03998	0.3
108.99335	0.3
111.00890	0.8
116.15469	0.2
117.03475	0.3
120.02880	0.2
120.99323	0.3
123.00906	1.9
127.05560	0.4
136.98820	7.0
139.00372	4.0
139.05527	0.3
141.07094	1.9
143.05043	1.4
145.02948	0.8
149.99609	0.3
151.05515	1.0
153.07141	0.3
157.06589	0.5
164.98294	3.1
166.99863	1.5
167.05046	2.2
169.06612	5.1
171.04544	3.0
171.08112	0.6
173.06166	0.3
177.98994	0.3
179.05006	0.7
181.06551	0.3
185.06065	0.8
195.04518	3.6
196.05191	0.6
197.06096	4.6
199.03976	1.0
201.05664	0.3
207.04475	0.6
213.05606	2.0
222.03238	0.3
223.04018	5.5
224.04666	0.8
225.05563	1.9
240.04327	0.3
241.05075	5.9
242.88779	0.3
251.03505	3.3
252.04092	0.3
268.03790	0.6
269.04562	100.0
270.04926	3.7
274.12280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
54.00855	0.3
54.29342	0.4
59.13643	0.3
65.00330	30.9
66.00671	0.5
67.01894	0.4
68.89487	0.4
68.99791	0.7
69.20805	1.7
79.01887	0.4
84.19186	0.3
92.99834	4.7
95.01404	1.1
96.99314	7.0
108.99307	1.3
111.00877	0.6
120.62675	0.4
120.99335	2.5
123.00877	0.9
124.25109	0.3
136.98817	20.1
139.00415	2.3
141.07109	1.8
143.04988	0.8
144.17879	0.4
145.02980	0.3
145.06642	0.6
149.99597	0.9
151.05582	0.4
164.98305	38.1
165.98662	1.0
166.99886	0.7
167.05028	1.2
169.06595	3.6
171.04530	2.9
171.08141	0.6
173.06000	0.5
177.99124	1.7
181.06523	0.6
185.06076	0.5
190.74547	0.4
195.04517	2.0
197.06085	3.1
199.04031	3.0
207.04518	0.4
213.05591	2.4
223.04025	2.6
225.05550	1.7
227.03491	1.4
241.05110	6.9
251.03465	1.7
269.04559	100.0
270.04944	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	269.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
58.00589	1.2
59.01384	39.0
60.33909	1.1
65.00296	1.0
67.01890	4.5
69.15970	3.5
69.16373	1.8
71.01398	10.2
72.99291	1.3
73.02959	1.0
79.01913	1.2
80.02739	1.0
81.03462	9.0
81.19328	1.0
83.01402	2.9
83.05029	1.1
87.00874	1.2
89.02463	4.1
95.01394	4.4
97.03012	1.2
101.02457	8.0
105.01933	4.6
107.01400	19.7
107.02060	1.8
108.02187	21.0
109.02980	7.5
109.40936	1.1
110.94094	1.9
111.00893	4.6
114.05606	2.0
114.93488	1.3
122.03759	3.4
123.00890	5.8
123.04537	18.0
125.02456	7.9
131.08334	1.1
136.01636	1.5
136.98840	1.4
138.03177	1.7
143.58167	0.9
150.03229	5.3
150.99171	1.8
151.00389	34.0
152.01164	37.0
153.02010	5.2
154.05099	2.6
165.01967	2.6
165.05568	2.8
166.02727	28.1
167.03511	61.7
168.03841	1.4
173.45442	1.3
181.05099	6.1
182.02222	1.8
188.29425	1.0
194.02228	19.8
195.02980	5.1
197.04547	2.2
204.92262	1.8
209.04561	100.0
210.04993	1.9
221.04607	1.2
222.96912	1.5
223.02711	1.1
225.04077	2.3
241.01498	1.5
250.96220	1.2
254.04340	11.0
269.04437	5.4
269.06726	85.9
269.21274	3.6
269.24756	1.1
269.97980	1.1
270.07120	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01740	2.3
56.94273	2.0
59.01384	21.3
61.98825	6.3
62.72942	2.1
70.01804	2.0
71.01385	16.0
71.31683	2.3
72.99314	35.9
73.02954	4.8
78.95915	9.3
85.02966	8.6
87.00875	1.9
89.02453	100.0
94.92509	4.9
95.01395	2.3
96.96976	2.3
101.02463	4.7
113.02486	13.1
125.00072	3.3
131.03522	3.4
131.04584	3.6
133.01442	5.7
133.05092	6.4
143.04604	2.8
145.06226	2.5
152.95984	22.4
170.89450	2.6
170.97029	35.9
193.03517	22.8
195.05110	4.4
268.94821	2.7
269.04614	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	269.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67315	0.2
59.01371	0.2
62.96380	0.4
65.00299	0.5
74.68920	0.3
79.95739	1.0
80.32967	0.2
83.01377	0.3
88.12731	0.3
101.74728	0.3
107.01362	0.9
117.03461	2.7
118.07074	0.3
120.04559	0.4
128.33145	0.3
133.06575	0.5
149.02454	0.7
151.00342	1.0
152.01140	0.6
165.76131	0.2
169.06654	0.4
183.01219	2.8
184.01958	1.2
186.95630	0.6
197.02791	37.0
198.03560	11.7
201.05565	0.3
205.16000	0.3
211.04379	0.6
211.08823	0.3
211.13306	0.3
212.05145	0.5
225.05708	0.5
225.10358	0.6
230.02525	3.3
239.08218	0.4
241.13560	0.4
253.09750	0.5
254.10539	1.3
267.01996	0.3
269.04602	12.2
269.12225	100.0
270.04996	0.8
270.12567	4.6
291.36230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
59.01387	31.4
61.00440	14.6
65.00333	32.4
67.01991	1.5
67.05534	4.3
68.99815	1.4
69.00923	2.4
69.03458	4.4
71.01385	3.4
74.75537	1.3
79.05546	1.8
80.96516	1.5
81.03444	2.2
82.01759	8.8
82.02159	1.7
83.05054	3.5
87.00890	21.1
93.07114	6.8
95.05017	7.1
96.02061	3.2
101.02441	2.8
103.01916	8.5
103.02527	1.8
105.03461	2.5
105.07117	2.2
113.02482	1.6
113.03954	1.8
116.90485	1.5
117.03458	3.5
117.07114	4.9
119.05029	4.6
123.00853	1.7
123.04530	2.6
129.03510	2.5
133.02928	4.7
133.10252	19.9
135.00862	2.2
136.98827	26.4
141.03482	8.6
145.02985	12.2
147.04460	1.7
157.02969	3.9
157.10199	1.6
159.11816	100.0
160.12177	3.6
166.01865	1.9
169.02957	12.2
171.11742	3.1
173.02458	18.2
181.01639	2.1
181.12311	1.7
185.02428	3.4
189.12868	51.5
190.13242	2.7
191.10793	11.9
197.02481	10.5
205.02863	5.2
206.58844	1.5
208.02823	3.9
213.01895	10.2
223.04007	2.4
225.02489	2.3
226.02133	2.0
241.01463	75.4
242.01810	3.1
269.00928	60.4
269.04477	20.5
269.08243	3.2
269.10901	2.2
269.13983	49.7
269.21161	4.4
269.24677	1.7
270.01648	4.5
270.04514	3.0
270.14355	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13044	0.5
56.00368	0.6
56.93787	0.5
57.95907	0.5
58.12382	0.5
65.00332	2.9
65.99846	2.3
66.00636	0.9
67.44759	0.5
68.01395	0.7
68.99815	1.4
69.18433	1.2
69.18843	2.1
69.91577	0.6
71.00176	0.5
80.01430	0.7
80.29816	0.5
83.01377	0.7
85.44372	0.5
88.13896	0.6
92.06843	0.6
94.02987	1.1
95.01422	1.1
96.00916	1.9
96.99332	0.8
98.02502	1.1
98.22681	1.2
109.01706	1.1
110.02497	8.8
111.38710	0.6
120.00933	0.6
122.02486	2.6
123.02444	1.1
123.03278	12.0
124.00419	0.9
134.02498	10.3
135.03290	7.7
136.00404	6.5
136.98820	0.9
138.02005	6.0
151.02751	10.1
155.02298	1.7
157.06596	1.1
164.98312	1.9
165.98706	0.8
166.01482	3.8
173.06032	2.0
192.03023	4.4
197.06131	1.1
200.07169	3.0
224.07167	1.6
225.05684	0.8
226.08693	2.6
228.06676	2.5
231.88194	0.6
242.08243	64.8
243.08611	1.6
252.06618	1.3
270.05170	4.6
270.07718	100.0
271.08017	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	270.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45417	6.0
59.01377	6.4
61.00423	15.1
62.14172	5.9
65.88977	6.9
66.83707	6.1
73.02975	9.6
82.94593	7.5
96.66542	6.9
96.96976	8.6
101.02463	100.0
114.02975	6.3
116.90095	7.3
122.02522	56.5
125.76682	8.5
130.08762	85.0
131.08276	23.0
147.05258	51.0
246.56543	6.7
270.08542	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	271.0248
Annotation	1,7-Dihydroxy-2,3-methylenedioxyxanthone
Peak:m/z	Relative Intensity
51.98675	0.7
53.66006	0.7
56.70308	0.7
65.00330	70.7
66.00667	5.0
67.00761	1.4
67.01888	1.1
68.99842	0.8
70.14157	0.8
70.14497	1.7
71.15159	0.7
82.00600	1.2
83.01385	1.0
94.00196	1.1
95.01403	2.9
96.99337	2.8
97.99686	1.0
98.99783	0.8
101.03996	1.9
108.02187	1.2
108.99330	2.2
110.00134	10.3
110.00826	0.7
110.02479	1.3
111.00305	1.3
111.00908	3.9
115.05529	0.8
117.03478	53.4
123.00919	3.0
124.01686	16.1
124.98793	0.9
127.05578	0.8
131.05046	2.2
133.02953	2.5
134.02504	1.1
135.04543	5.2
136.00497	1.0
136.01649	3.6
136.98837	7.4
137.99066	3.5
138.01956	1.3
138.99242	2.8
139.00368	7.0
139.05533	5.0
141.03491	4.8
143.05049	1.0
145.06654	1.5
151.00391	5.1
151.02850	1.0
152.01178	8.9
152.98271	0.9
155.05051	12.0
157.02953	3.9
157.06599	1.5
159.04536	19.4
161.02478	5.5
164.98311	2.8
165.98689	8.5
166.98611	9.9
167.00008	1.6
169.06703	0.8
171.04529	8.3
172.04973	1.0
173.06241	3.7
181.06671	1.6
182.03725	2.9
183.04524	48.9
184.04784	1.8
185.02451	32.1
185.06021	1.4
186.02817	1.1
199.04019	6.2
199.07489	0.7
201.05608	0.9
203.03549	1.3
209.06061	1.1
225.05597	6.4
227.03523	38.9
227.07126	2.0
227.09146	1.0
228.03838	1.8
229.05034	1.2
242.08235	0.9
243.02756	1.4
243.06602	31.3
243.08667	8.7
253.04973	4.2
270.04901	0.9
271.02487	100.0
271.05823	64.6
271.08212	7.6
272.02808	4.1
272.06158	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.025
Annotation	1,7-Dihydroxy-2,3-methylenedioxyxanthone
Peak:m/z	Relative Intensity
52.15909	0.4
54.15699	0.4
59.01378	1.8
62.50365	0.4
63.02409	0.8
65.00330	29.8
69.59127	1.7
71.01392	1.5
73.98721	0.4
83.16569	0.5
85.71729	0.4
91.01907	3.0
92.99835	1.0
109.02988	0.4
111.04508	0.7
111.08226	1.0
115.04045	0.7
115.66595	0.4
117.03451	1.6
119.05048	1.3
130.04243	0.6
131.05011	1.4
132.02180	1.7
133.02968	100.0
134.03265	2.8
135.00880	6.3
135.04521	3.2
136.98807	5.6
141.03442	0.7
143.05057	2.4
145.02972	3.1
147.04552	0.6
151.00383	1.4
155.05040	1.1
155.07132	1.2
157.03009	2.4
159.04533	16.0
160.04927	0.6
161.02518	1.0
163.04015	3.7
169.02942	0.6
171.04518	4.4
173.02409	5.0
175.03995	1.6
182.03654	0.7
183.04517	4.6
187.04031	2.4
191.03506	1.3
196.45107	0.6
197.02473	1.5
198.03281	1.4
199.04027	15.7
200.04341	0.6
201.01949	56.9
202.02328	1.9
203.03474	1.1
214.02744	0.5
215.03519	7.4
225.01909	1.2
226.02776	1.9
227.03528	4.1
242.02252	1.8
243.02995	41.2
244.03343	1.6
253.14441	0.7
271.02505	87.2
271.15463	7.7
272.02783	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	271.0251
Annotation	1,7-Dihydroxy-2,3-methylenedioxyxanthone
Peak:m/z	Relative Intensity
59.01389	1.4
59.38015	0.5
61.00436	2.2
65.00335	30.1
67.85922	0.6
70.59325	0.6
71.39921	0.6
73.66660	0.6
78.80074	0.5
79.46802	0.6
79.95750	0.6
82.01740	2.2
91.01900	2.9
107.01425	0.6
115.05471	0.7
117.03474	1.3
119.05054	1.7
125.02500	0.6
130.42433	0.6
131.05095	0.9
132.02174	2.3
133.02977	100.0
134.03326	2.2
135.00906	6.5
135.04543	2.7
136.98801	4.7
141.03444	0.7
143.05002	2.3
145.02966	2.7
151.00401	1.4
155.05067	1.2
157.02940	2.1
159.04536	18.1
161.02473	1.5
163.04031	3.3
171.04532	4.2
173.02466	3.6
175.04036	0.8
182.03746	0.6
183.04510	3.2
187.04039	2.2
191.03532	1.2
195.11440	0.6
197.02480	2.1
198.03258	0.9
199.02660	0.5
199.04042	16.4
201.01955	53.9
202.02289	1.8
203.03471	1.1
209.09305	0.6
215.03525	7.7
225.01976	1.1
226.02679	1.4
227.03528	4.8
242.02213	1.9
242.36490	0.6
243.03012	38.0
244.03333	1.4
271.02512	84.9
272.02820	4.8
272.05399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0251
Annotation	Rheoemodin
Peak:m/z	Relative Intensity
57.03465	0.8
57.10722	0.5
59.01377	2.5
59.36486	0.5
63.02403	0.8
63.18603	0.5
65.00330	28.6
66.00655	0.6
67.09115	0.5
71.01388	1.9
75.42036	0.6
78.95898	0.6
89.00328	0.6
93.03455	0.8
95.01440	0.9
97.13872	0.5
99.11643	0.5
104.05061	0.7
107.01404	3.1
109.02942	1.5
111.04536	1.4
111.99506	0.5
116.12740	0.5
117.03480	54.8
118.03818	1.7
119.05041	1.6
129.03517	2.9
131.05045	0.8
133.02954	4.5
134.75455	0.6
136.98810	0.8
139.07629	0.6
141.03491	2.9
143.05042	2.2
145.03026	1.5
145.45856	0.6
149.55894	0.6
151.00383	2.0
154.04276	1.0
155.05052	6.4
158.03653	0.8
159.04533	25.2
160.04875	0.8
161.02466	3.3
171.04541	51.2
172.04909	1.4
173.06110	0.7
182.03748	2.5
183.04539	7.8
185.02444	1.7
187.04028	1.1
197.02562	1.1
198.03241	0.8
199.04027	14.5
201.01921	2.7
210.03273	0.7
211.13438	1.0
227.03535	12.5
229.01370	1.0
234.48723	0.6
243.03011	2.8
253.14459	1.1
271.02512	100.0
271.15488	2.8
272.02826	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41516	0.5
59.01388	0.8
63.02402	9.7
65.00330	28.7
68.99833	1.0
69.16728	2.7
70.15826	0.5
77.34119	0.6
81.03506	0.6
83.01395	13.9
93.03470	12.2
107.01402	33.6
113.02361	0.5
117.03465	3.8
119.05042	81.4
120.05366	2.1
121.02938	0.9
125.02476	1.9
133.02972	11.7
136.01695	0.5
143.05060	2.5
145.02985	3.1
151.00392	100.0
152.00693	2.6
155.05081	1.0
157.06616	0.8
159.04509	1.9
161.06165	2.6
161.35988	0.5
165.01973	4.7
169.01440	2.3
171.04547	4.7
177.01959	8.6
183.04543	0.8
185.06075	4.1
187.04034	6.6
199.04015	2.9
201.01988	5.2
203.07249	0.5
215.03493	0.8
227.03629	1.0
227.07109	3.6
229.05186	1.1
243.03064	4.2
253.05006	0.5
271.02609	10.7
271.06125	93.0
272.03082	0.6
272.06488	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	271.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74375	0.5
52.54523	0.5
65.00323	9.3
67.01864	1.4
68.99802	1.5
69.48392	1.9
69.48785	0.9
80.02666	1.1
81.42225	0.5
83.01392	0.8
95.01398	5.0
96.02186	0.8
96.99306	2.3
98.21931	1.1
108.02155	2.3
110.00085	0.6
111.00167	0.9
111.00890	13.1
118.57092	0.6
119.69199	0.5
123.00882	4.5
124.01670	35.3
124.98792	0.9
131.05011	1.0
136.01683	7.5
136.98814	10.6
138.99309	1.0
139.00380	16.2
139.01425	1.2
152.01158	22.6
152.02377	1.1
153.07072	1.2
156.00604	1.4
157.06660	3.2
157.07713	0.7
164.63533	0.5
165.07027	1.2
166.99875	7.3
169.73866	0.5
171.08153	3.4
173.06076	6.6
180.00587	1.3
181.06569	2.5
185.06111	2.7
193.01421	1.7
197.06053	1.4
199.07663	2.2
201.05569	2.6
209.06078	3.0
215.07135	1.2
225.05560	10.8
227.07135	4.2
229.05064	1.9
234.16437	0.6
243.06616	78.3
244.06918	3.9
253.05063	9.8
254.05571	0.7
271.06119	100.0
272.06378	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	271.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	17.1
64.60557	0.3
65.00324	1.4
69.58176	1.5
75.88495	0.4
81.03457	2.1
83.01398	2.1
88.95712	0.3
92.64716	0.3
97.45557	0.3
107.01406	1.3
109.02964	0.5
117.03473	1.0
119.05043	8.0
124.01706	0.4
125.02462	100.0
126.02806	1.8
130.42226	0.4
135.04561	0.5
150.99365	0.4
151.00383	2.3
152.01219	0.4
161.06065	0.7
184.30597	0.3
185.06137	0.6
211.04245	0.4
213.15077	0.5
243.06711	1.1
271.02933	0.6
271.06134	8.3
277.14047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96478	0.5
62.38757	0.6
65.00327	7.4
67.01894	0.6
68.99831	1.2
69.45365	2.7
80.02693	0.6
83.01398	2.4
93.03447	1.2
95.01392	3.1
107.01403	2.0
107.45414	0.7
108.02187	2.6
109.02965	1.6
111.00895	9.5
113.36331	0.6
117.03487	2.8
119.05006	6.6
123.00899	2.1
124.01678	24.2
124.98766	0.9
136.01685	4.1
136.98822	6.3
139.00380	9.2
151.00360	5.2
152.01176	15.5
153.07097	1.0
156.00694	1.2
157.06587	3.3
159.04555	0.7
165.07158	0.8
166.99857	3.8
171.04517	1.7
171.08194	2.3
173.06113	6.5
180.00745	1.5
180.05785	0.6
181.06586	1.5
185.06128	6.3
197.06104	1.0
199.07658	1.7
209.06093	2.3
225.05592	7.0
227.07150	5.7
229.05067	0.8
241.33043	0.6
243.06627	53.9
244.06918	2.3
253.05042	4.6
271.06128	100.0
272.06409	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	12.7
64.57490	0.5
65.00330	24.7
69.52209	0.5
81.03458	0.7
83.01395	15.2
87.92258	0.6
93.03465	15.5
96.12685	0.5
98.32712	0.5
107.01400	35.1
117.03475	1.3
119.05037	100.0
120.05375	1.5
121.02972	0.7
125.02446	1.6
137.02499	0.7
143.05020	1.2
145.02980	2.2
151.00380	81.8
152.00751	1.1
161.06111	1.9
165.01944	3.7
169.01447	2.4
177.01936	13.4
185.06068	1.7
187.03998	2.8
223.54259	0.5
227.07198	1.4
229.05226	0.7
232.33847	0.5
244.01945	0.6
271.06131	83.1
272.06525	2.0
288.68677	0.6
290.54700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08445	0.3
50.16251	0.3
56.40789	0.3
57.03449	2.3
57.39776	0.3
58.39650	0.3
63.02402	6.0
65.00327	5.4
69.44829	1.3
81.03452	0.5
83.01396	6.5
91.05549	1.8
93.03448	0.8
96.02192	0.5
107.01395	6.0
109.02982	0.6
115.05539	1.2
117.03465	1.3
119.05038	3.7
121.02972	0.6
124.01710	1.7
125.02464	10.2
131.05014	0.6
133.02966	0.5
133.06525	0.4
135.00946	0.4
137.02441	1.4
141.03336	0.4
141.07133	0.5
143.05063	0.5
147.08139	0.6
148.01694	0.4
151.00378	7.5
151.05499	0.6
153.01942	0.6
157.06599	2.9
159.04579	0.6
161.06082	5.9
165.01927	1.4
165.07106	0.9
169.01445	0.9
171.08168	0.5
173.06050	0.8
175.07539	0.8
177.02014	0.4
180.05801	0.4
181.06619	1.1
183.04509	0.6
183.08284	0.4
184.05331	0.5
185.06071	2.4
187.04141	0.4
197.06090	10.2
198.06406	0.5
199.04071	0.4
199.07639	0.6
200.41281	0.4
208.05280	0.7
209.06085	1.1
215.07123	1.9
220.15182	0.4
225.05600	3.2
227.07030	0.5
241.04984	0.6
243.06671	0.6
253.05081	13.6
254.05310	0.7
271.06137	100.0
272.06506	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	271.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.4
62.33285	0.9
65.00306	2.6
68.99781	1.1
69.17773	5.4
71.01392	7.7
72.99274	1.5
73.02922	2.8
74.22498	0.9
75.00850	0.8
78.95914	16.7
79.95734	1.1
81.03435	1.3
82.94589	1.3
83.01363	0.8
84.94327	4.9
85.02911	3.4
85.04060	1.7
87.00841	1.0
95.01359	2.1
95.02482	1.0
96.96036	9.1
96.96969	30.8
99.98914	1.0
101.02399	3.4
108.02185	100.0
109.02998	12.4
109.04066	0.9
111.00849	2.4
113.02404	2.9
121.02923	1.7
121.06596	1.3
123.04485	1.6
123.98215	2.5
124.01657	7.0
128.03542	1.0
128.93250	3.6
129.04204	10.8
130.08751	32.1
131.08273	20.6
133.02937	1.3
136.01616	2.4
136.98747	2.2
137.05969	0.8
139.00317	3.5
139.07632	0.9
141.98157	0.8
151.04008	4.9
152.01161	4.9
157.06398	1.0
161.04565	5.0
163.03996	1.6
165.09315	1.3
166.02917	2.4
166.99785	2.2
173.06055	2.0
173.10446	10.6
175.03986	0.7
176.98053	0.9
181.04936	0.9
181.06557	1.0
185.06006	1.5
197.05855	0.9
199.03944	1.2
201.05582	0.9
208.03984	1.5
209.06073	1.0
209.08017	0.9
210.01897	0.9
211.02835	1.0
212.03447	2.7
216.01929	1.5
225.05545	1.9
227.07155	1.4
227.09164	2.0
227.11224	1.0
228.07091	1.7
229.04324	1.1
230.03580	1.0
230.08688	2.0
243.06604	15.7
244.06757	1.2
253.04999	2.2
254.04572	18.0
271.02277	1.7
271.05933	28.3
272.06845	1.4
272.09909	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	271.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.3
58.00600	7.3
59.01385	34.0
65.00339	6.0
69.03444	3.2
70.03979	2.9
71.01383	3.3
72.99294	1.3
73.02963	2.3
81.03475	1.1
83.01390	1.7
83.05018	3.7
85.02924	1.3
87.04542	1.8
89.64159	1.0
93.03477	1.2
95.05034	1.6
97.06597	15.7
99.08188	1.8
109.02965	1.2
109.06579	4.1
110.03754	1.2
111.04510	1.6
111.08177	53.6
112.08521	1.2
113.06110	14.4
115.04047	1.2
117.03464	3.0
120.53542	1.0
121.06599	3.5
123.08190	1.8
125.06100	1.6
127.07658	4.9
133.02988	16.7
135.00996	1.4
135.08180	8.1
137.06094	4.4
139.07658	12.7
141.05588	15.4
143.07146	5.7
155.07166	18.5
158.71222	1.0
159.04488	3.0
171.04567	2.1
171.10165	1.5
173.08220	1.4
173.13388	4.8
183.04562	1.2
191.14391	3.0
199.04012	5.1
201.01965	8.3
201.11403	2.0
215.03468	1.5
227.03568	1.5
235.13417	2.4
243.03015	8.5
247.23404	1.0
253.14526	8.4
260.54333	0.9
271.02551	21.0
271.06134	3.1
271.15536	100.0
272.02667	2.1
272.15909	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	271.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19815	0.9
54.00648	1.0
57.03440	1.9
58.00601	10.3
59.01385	28.6
62.01883	1.0
65.00322	3.7
69.03459	3.3
69.24395	4.9
71.01381	1.5
72.99329	1.3
73.02950	3.3
74.33347	1.0
81.03445	2.5
83.01400	1.7
83.05030	5.4
93.03484	1.6
95.05032	2.1
97.06606	16.1
98.21893	2.4
99.08196	1.3
106.04236	2.0
109.06606	5.4
111.04533	2.9
111.08170	54.7
112.08474	1.2
113.06096	15.7
117.03438	2.0
119.05029	2.4
121.06582	7.0
125.06114	1.8
127.07643	8.1
133.02974	8.4
135.00876	1.2
135.04478	1.1
135.08189	16.2
137.06100	7.1
137.09735	1.1
139.07681	23.6
141.05594	11.6
143.04971	1.0
143.07152	4.3
144.79657	1.0
155.07159	34.1
159.04451	2.2
171.04570	2.1
173.08191	1.7
173.13364	6.6
191.14421	4.9
197.02740	3.6
198.03500	2.1
199.03999	4.7
201.01949	7.0
227.03552	1.4
243.03001	3.3
253.14479	7.7
255.59113	1.1
271.02536	13.5
271.06366	4.4
271.10138	7.0
271.15518	100.0
272.02887	1.3
272.15958	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.7
58.02978	5.7
59.01391	5.1
63.16262	0.6
65.00336	4.2
66.03475	1.0
69.30966	3.7
71.01378	3.1
72.44202	0.7
82.06617	1.2
83.05029	2.1
84.02107	0.8
84.08176	0.8
93.51414	0.8
98.06146	0.8
106.74375	0.8
109.02966	1.1
111.04497	1.5
111.08163	1.9
112.07721	2.2
114.09258	1.3
115.04061	0.9
115.08788	3.0
117.03497	2.3
119.05071	1.0
127.07652	0.8
130.08752	100.0
131.09119	2.0
133.02962	12.0
135.00908	0.9
136.98860	1.1
139.07680	1.4
140.07193	12.1
155.07204	1.9
157.02841	0.8
159.04581	3.0
168.13972	1.2
171.04579	1.9
184.81990	0.8
185.16614	76.8
186.16969	3.2
197.02811	0.9
199.04065	3.3
201.01985	7.2
227.17676	7.3
229.15645	5.6
235.13063	0.8
243.03008	5.5
253.14601	1.2
271.02551	14.8
271.05670	1.4
271.16699	82.1
272.16898	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	272.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06229	0.6
58.02967	5.0
59.01385	0.8
65.00320	2.4
65.42055	0.7
66.03500	3.2
67.01875	1.8
68.41642	0.6
69.03468	12.1
70.02997	1.6
79.01891	1.4
80.02699	0.9
81.03471	11.2
82.03010	0.9
83.05019	0.9
84.04543	6.0
89.10948	0.6
91.05539	6.0
93.03455	6.3
94.02989	18.2
95.01404	2.6
95.03262	0.6
95.05006	1.6
96.04559	12.5
97.02958	19.4
103.05495	0.7
107.05044	4.6
108.04545	0.7
110.02489	11.2
110.06133	1.3
111.00885	2.5
111.04528	4.0
115.05536	1.5
117.03474	36.9
117.07094	2.8
118.03777	0.8
119.05025	0.9
122.02507	3.1
123.00874	1.4
123.03274	2.2
123.04525	0.9
124.01706	3.1
124.04039	7.8
125.02463	7.1
126.01950	1.2
130.04245	1.5
131.05045	8.7
133.05772	0.8
133.06625	6.4
136.04022	1.8
136.98766	0.9
138.05623	0.9
140.03528	1.0
141.03508	1.1
141.07094	4.2
143.05016	2.5
143.08661	2.5
145.06621	2.1
147.00960	0.7
147.04547	1.5
147.08145	1.3
149.01237	1.3
149.06078	6.0
154.05142	0.7
155.08694	1.6
156.05846	2.0
157.06560	3.4
157.10237	2.1
159.04547	5.2
161.02519	0.9
161.06097	8.9
165.07082	0.9
166.05104	10.0
166.98741	0.9
167.02274	1.1
167.08682	6.0
167.99063	0.8
169.06581	9.7
173.06097	1.8
173.09727	4.2
183.08180	6.4
185.06210	3.2
185.09727	38.6
186.10175	1.2
187.04013	11.0
188.04799	100.0
189.05560	29.1
190.05901	0.8
193.06569	1.4
201.05646	1.6
201.09232	4.1
209.05998	0.9
210.09167	1.2
211.07645	13.5
212.07237	0.8
226.08696	4.8
228.10233	5.4
229.05132	1.3
229.08704	16.6
236.07063	0.7
244.06943	2.9
244.09259	0.8
254.08235	18.0
255.39316	1.0
272.06329	6.7
272.09418	5.9
273.04074	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	272.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70321	0.3
53.14644	0.2
58.02968	0.7
59.01382	11.0
69.20288	1.5
74.02477	0.5
82.94630	0.6
84.08197	0.6
85.02930	0.4
86.02430	0.4
98.22682	0.5
99.05643	0.9
101.02472	0.4
103.03358	0.3
103.04028	1.1
114.05634	0.4
117.00471	2.0
122.02470	0.4
126.93568	0.4
128.03526	2.1
128.07225	1.0
130.08748	100.0
130.94673	0.3
131.08246	0.4
131.09091	1.7
136.54239	0.3
143.04605	3.3
153.60214	0.3
172.00945	0.7
179.04652	0.4
179.98369	0.7
188.07770	0.4
210.06264	0.8
210.08939	0.4
228.07304	2.3
230.08849	7.8
272.09930	39.5
273.10037	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	272.1619
Annotation	(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine
Peak:m/z	Relative Intensity
70.32240	2.1
71.19128	2.9
79.94669	1.4
82.06612	2.3
87.05646	7.2
88.04051	100.0
93.29395	1.5
97.04083	4.2
115.08752	2.2
115.20025	1.4
129.10359	1.5
143.04686	1.9
153.10385	3.1
155.11934	4.9
157.13474	5.7
183.11377	12.4
186.16045	2.0
228.17212	3.0
270.00793	2.9
272.16174	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0076
Annotation	Ferulic acid 4-sulfate
Peak:m/z	Relative Intensity
59.01384	1.8
62.75851	0.3
64.15479	0.3
65.00330	5.2
68.99841	0.4
69.20238	0.3
71.01388	0.8
72.99304	1.9
73.02940	0.8
79.95741	9.3
83.01400	1.3
85.02965	1.2
87.00897	0.5
89.02468	0.5
95.05029	0.4
96.96017	20.7
98.22695	0.9
103.00352	0.8
106.04260	0.5
109.02999	0.4
111.00898	10.2
113.02460	2.2
117.03478	0.5
119.05044	0.9
121.02994	1.1
126.19900	0.3
127.00384	1.2
133.02930	1.8
134.03754	58.5
135.04614	3.1
136.98816	1.5
137.02452	5.0
139.04018	1.3
143.05005	0.9
145.02986	0.6
149.06093	16.9
157.02916	0.8
157.06618	0.7
159.04515	1.1
161.02460	0.9
165.99071	0.5
166.99911	0.4
171.04486	0.4
173.02371	0.8
175.03989	0.5
178.02722	36.3
179.03059	0.8
183.04387	0.5
185.06125	1.3
187.03983	1.0
193.03619	4.4
193.05070	100.0
194.05409	3.6
201.01947	1.3
201.05666	1.8
203.03316	0.4
211.04037	0.5
213.01944	0.7
227.03621	0.6
229.01663	1.4
229.05199	2.1
255.03044	1.7
273.00665	11.9
273.03970	7.3
273.07141	0.6
273.09818	1.6
274.01038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27769	0.6
65.00330	14.4
67.01899	9.3
68.99832	3.7
69.37687	3.6
79.12167	0.6
83.01394	8.3
93.03465	0.6
95.01369	1.3
96.96024	1.2
107.05042	1.9
108.02187	1.1
111.00892	100.0
112.01229	1.7
117.03474	6.8
119.05074	1.0
121.02956	0.8
123.04499	0.8
127.00383	1.4
129.07068	0.6
130.04213	1.0
130.73561	0.6
131.05037	2.4
133.02972	6.7
134.03767	8.6
135.04541	32.8
136.98816	5.0
137.02457	1.0
143.05037	1.1
145.02962	0.8
145.06618	2.0
145.23091	0.6
147.04485	0.6
155.05067	0.9
156.05913	0.6
156.26315	0.6
157.06606	6.5
158.03740	15.6
159.04529	33.1
160.01509	0.7
160.04910	0.9
161.02457	41.7
161.46835	0.7
162.02797	1.3
167.03529	0.9
171.04518	2.0
173.02530	0.7
173.06094	3.1
175.04047	1.9
183.04457	0.9
185.06079	7.2
187.04022	4.3
189.01967	2.4
199.09200	0.6
201.02017	1.0
201.05594	9.6
203.03563	7.1
211.04008	1.3
213.01852	0.9
227.03545	1.8
229.05064	11.5
245.04597	0.7
245.07071	1.1
255.03093	3.2
258.01639	1.7
267.09412	0.6
273.04074	13.5
273.07037	3.0
273.11404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0406
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
50.03402	0.3
63.47801	0.3
65.00331	100.0
66.00669	1.6
69.95005	0.3
69.95350	0.8
70.11086	0.3
83.01410	1.3
91.01899	0.5
93.03442	0.8
96.96008	0.3
98.22597	0.5
103.76563	0.3
104.32721	0.3
108.99325	7.5
111.00837	0.3
117.03482	0.6
119.05037	7.9
121.02979	1.2
127.00408	0.8
131.05002	0.4
133.06625	0.7
135.00890	1.1
135.04514	0.8
143.05038	9.0
144.05399	0.4
145.02959	3.2
147.04530	0.3
152.98308	3.7
156.05826	1.1
157.06606	2.7
158.03728	1.2
159.04544	2.8
161.06091	6.0
174.12357	0.3
185.06105	7.1
187.04004	4.1
201.05585	1.9
207.06281	0.4
211.04068	0.8
229.02763	0.5
229.05063	9.2
230.05312	0.5
255.03172	1.9
273.04065	79.5
274.04431	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0406
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
50.04299	0.7
52.76382	0.5
56.87407	0.7
58.64119	0.6
65.00328	100.0
66.00665	1.0
68.99825	0.9
71.40966	0.6
80.99819	1.3
83.01399	1.7
93.03472	1.0
96.96014	4.2
102.31076	0.6
108.99331	8.4
111.00877	2.0
117.03472	1.1
119.05032	8.8
121.02960	1.9
122.67381	0.7
127.00385	2.6
131.05049	1.2
135.00938	0.8
135.04538	1.5
141.07112	1.6
143.05031	12.6
144.05397	0.8
145.02968	3.8
147.00911	2.0
152.98312	4.1
156.05875	1.7
157.06590	4.8
158.03712	1.1
159.04555	3.2
161.06114	6.6
167.04944	1.1
173.06151	0.8
185.06071	12.1
187.04036	5.4
193.03549	1.4
201.05615	3.5
203.14966	0.6
211.03941	0.7
213.74084	0.6
220.87663	0.6
229.05061	11.3
231.02942	0.7
255.02954	2.5
260.78857	0.7
273.04044	79.8
274.04431	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	273.0407
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
59.01383	5.4
60.66813	0.4
63.99535	0.4
65.00327	4.9
71.01384	0.7
71.41514	0.4
73.02924	0.3
83.01391	19.3
85.06617	0.4
93.03465	3.5
95.01390	0.6
95.05031	0.3
107.01398	53.6
108.01714	0.9
108.99284	0.3
109.02948	1.2
111.00894	2.6
115.07668	0.4
115.34515	0.4
117.03476	17.5
118.54029	0.3
119.01381	0.4
119.05035	1.1
129.09268	0.3
133.02963	5.2
135.00853	0.6
135.04538	6.0
136.98810	1.5
137.02415	0.5
145.02974	1.1
151.00397	0.7
151.04074	0.8
153.01970	2.3
158.03816	0.4
159.04506	1.2
161.02454	25.3
162.02820	0.8
177.01990	0.4
178.99876	25.5
180.00227	0.7
185.02464	2.2
195.13937	0.6
201.01776	0.4
201.05571	1.6
217.05046	2.5
229.05080	0.7
231.02957	0.8
245.04572	1.0
247.67694	0.4
255.02992	3.7
257.00916	3.0
273.04056	100.0
273.17023	5.0
274.04407	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0407
Annotation	Altenuisol
Peak:m/z	Relative Intensity
51.03222	0.5
65.00337	1.1
69.26270	3.2
70.24770	0.6
81.03480	2.2
83.01394	19.6
93.03497	2.3
95.51767	0.6
98.22639	1.4
107.01396	4.3
111.00894	21.5
116.02709	0.9
117.03477	100.0
118.03814	3.0
125.02461	1.9
130.08768	6.6
133.85666	0.7
135.04539	2.6
142.04305	0.6
143.05022	1.3
143.11903	4.8
145.02971	2.3
145.06628	1.5
151.00328	1.3
153.01926	2.2
157.06590	1.6
158.03745	2.0
159.04515	8.8
161.02460	5.9
173.04601	1.2
173.06094	18.7
185.06090	2.8
201.05586	88.6
202.05884	3.4
229.05099	0.9
229.11916	5.0
245.04472	3.7
273.04028	6.6
289.06348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0771
Annotation	Phebaclavin C
Peak:m/z	Relative Intensity
51.82760	0.4
65.00329	100.0
66.00660	1.4
67.01893	1.2
68.99821	4.2
69.37833	2.0
71.95802	0.4
75.00870	0.7
82.00629	1.9
83.01379	2.2
92.38540	0.4
95.01414	1.2
96.99386	0.4
97.02959	15.7
99.00883	2.9
101.02454	4.3
101.03968	0.5
107.01424	4.2
108.99323	2.1
110.00120	1.1
111.00891	10.2
115.05532	0.6
117.07159	0.5
125.02456	28.3
126.02859	0.6
127.00385	3.9
130.04250	1.2
136.98816	50.3
137.99179	1.2
139.04024	2.9
141.07103	2.3
143.05046	3.6
145.02953	0.7
145.06602	15.1
147.00952	0.4
157.06659	0.5
167.03539	3.7
167.04832	0.5
169.01459	3.3
169.06630	5.2
171.04530	13.8
172.04840	0.7
173.06027	0.5
185.06111	2.7
197.06046	0.5
199.03989	6.4
203.07256	0.7
213.05586	58.4
214.05980	3.0
218.67929	0.4
231.06606	1.0
241.05077	43.7
242.05356	2.8
245.08218	4.6
273.07700	81.4
274.08087	4.5
293.74951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0771
Annotation	Phebaclavin C
Peak:m/z	Relative Intensity
59.01370	0.8
65.00321	2.6
67.01897	2.7
68.99821	8.2
69.30045	3.2
73.02953	0.9
75.00869	1.0
79.95734	0.7
80.96519	1.2
83.01392	76.2
84.01730	0.8
85.02962	0.8
95.01393	1.1
96.96001	1.3
96.99332	0.6
98.21847	1.2
99.00890	5.0
101.02442	2.1
101.04011	1.0
111.00890	12.0
115.05566	4.0
117.03455	8.2
119.04998	1.0
120.14751	0.6
121.02989	0.7
123.04533	0.8
124.40482	0.6
127.00404	1.1
127.05540	2.5
127.28290	0.6
129.07144	1.0
130.04185	0.6
131.05054	3.9
133.02946	0.7
134.03758	0.8
135.04524	3.5
139.00456	0.7
141.07114	6.9
143.05038	32.2
144.05342	1.8
145.06595	10.5
145.54608	0.6
147.08151	1.0
151.04056	0.6
155.05005	1.8
157.06586	3.7
158.03775	1.5
159.04495	4.1
161.02455	20.2
162.02774	0.8
169.06592	8.0
171.04524	26.8
171.08199	1.2
172.04976	0.9
173.06067	2.2
185.06143	3.0
187.07629	0.9
193.03511	0.8
193.05147	2.2
197.06087	11.9
199.04021	11.7
200.04462	1.0
201.01976	0.8
201.05672	3.1
203.03572	0.9
203.07138	2.4
211.04187	0.7
213.05586	77.6
214.06024	4.5
217.08604	1.4
229.05122	3.6
229.08734	1.6
231.06630	18.8
232.07047	0.9
241.05081	10.0
242.05721	1.3
243.06616	2.5
245.04524	0.8
245.08206	2.9
251.92174	0.7
255.06679	2.9
273.04327	4.5
273.07687	100.0
274.08020	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	273.1498
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
57.03450	2.5
62.01693	1.0
65.00350	1.2
68.99815	1.4
69.03471	1.4
69.14149	7.1
81.03495	0.9
88.51501	1.0
88.88507	1.1
90.77495	1.1
93.07101	2.2
94.38232	1.0
97.02961	1.4
97.06583	7.9
98.21874	2.2
107.05004	6.1
108.02187	6.5
110.85677	1.0
119.05034	3.7
119.08674	35.7
120.05850	1.4
120.09026	1.2
121.06607	3.7
123.08154	2.4
125.02458	35.1
135.04539	4.6
135.08168	1.8
137.06071	1.3
145.10236	2.8
151.17946	1.1
163.07664	100.0
163.11304	6.8
164.07977	4.2
171.17860	1.0
187.43253	1.0
193.07674	1.3
201.01872	1.1
211.11311	1.3
211.14969	2.1
215.10770	7.4
224.49268	1.0
225.09181	2.2
227.14450	3.4
229.15971	17.6
239.10820	8.2
240.11522	1.7
245.15379	1.7
255.13911	37.1
256.14346	1.8
273.03952	2.8
273.14972	53.3
274.15335	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	273.1499
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
57.03445	3.8
60.02687	1.1
65.00333	1.5
68.99811	2.0
69.41109	3.7
83.01421	1.1
83.05029	1.4
83.72513	0.9
84.36320	1.0
90.20197	1.0
93.07117	3.4
95.05012	1.1
97.02957	1.3
97.06602	9.1
107.05035	8.2
108.02184	5.5
114.82148	1.0
119.05035	3.5
119.08679	34.4
119.16433	0.9
120.05787	1.3
121.03051	1.2
121.06594	2.6
121.15179	1.0
123.08195	2.4
125.02460	36.0
135.04524	4.3
135.08180	2.9
137.06104	1.6
137.67712	0.9
145.10252	3.4
146.81703	0.9
148.05350	2.0
151.95122	0.9
163.07674	100.0
163.11285	6.8
164.08000	3.0
211.15004	2.5
215.10712	6.6
225.09253	2.3
225.12782	1.2
227.14447	4.0
229.16000	17.0
239.10840	8.8
240.11581	2.2
245.15506	2.7
255.13914	44.3
256.14304	2.3
273.04050	1.6
273.14990	63.5
273.23380	1.8
274.15271	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	273.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
57.52987	1.6
61.75045	1.5
65.00334	3.7
68.99841	2.2
83.01434	1.8
90.90418	2.2
97.02985	2.4
97.06584	9.8
102.36621	1.9
107.05054	8.9
108.02161	6.2
108.83137	1.7
117.03413	2.3
119.05021	2.7
119.08679	32.3
121.06635	3.2
125.02457	37.5
135.04521	5.0
135.08212	2.8
137.06140	2.2
137.70540	1.8
145.10248	3.3
147.08144	3.1
148.05269	2.1
163.07664	100.0
163.11287	5.2
164.08060	4.3
190.85275	2.1
199.13293	1.8
211.14896	3.1
215.10754	5.6
227.14478	3.6
229.15962	18.4
239.10786	8.1
240.11687	2.3
245.15483	3.9
255.13927	37.0
273.03802	4.3
273.14987	64.5
273.23441	4.6
274.15442	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	273.1495
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
57.03439	1.7
57.05934	0.6
59.02089	0.6
65.00325	1.1
69.06722	4.7
80.02687	0.8
81.03461	1.3
83.01405	1.0
83.05037	1.0
90.87893	0.6
93.03459	1.8
93.07074	1.7
97.02980	1.3
97.06595	6.2
107.05042	5.1
108.02177	5.0
119.05016	2.2
119.07835	1.4
119.08675	18.4
119.96537	0.6
121.02959	1.2
121.06631	3.4
123.08167	1.1
125.02461	22.3
126.02752	0.6
135.04544	4.4
135.08186	1.6
136.01718	0.7
137.06110	1.7
137.09657	0.7
145.10258	1.9
147.08176	0.7
148.05328	1.3
149.06160	1.3
159.11774	0.7
161.09708	1.2
162.06883	0.7
163.07663	52.1
163.11298	4.5
164.07991	1.6
165.05609	0.8
172.10350	0.6
211.14896	1.5
215.10808	3.8
215.77827	0.8
224.32060	0.6
225.09247	0.9
227.14459	2.5
229.15996	13.8
230.16246	0.9
239.10858	1.8
240.11345	1.0
243.13994	0.9
245.15529	1.7
255.13928	14.4
256.14261	0.8
273.14984	100.0
274.15323	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1499
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
53.48562	0.6
57.03442	3.2
62.25533	0.5
65.00335	0.9
67.59876	0.6
68.99837	0.6
69.53597	1.7
70.36596	0.5
73.06750	0.6
81.03462	1.4
83.01414	0.7
83.05044	0.9
93.03477	0.9
93.07082	2.8
95.05075	0.7
97.02961	1.2
97.06595	9.2
101.64266	0.5
106.04309	0.7
107.05037	9.8
108.02179	10.4
109.02990	0.8
109.06583	0.9
111.08231	1.3
113.37560	0.6
117.07120	0.8
119.05045	4.7
119.08673	33.2
120.05797	0.7
120.09050	0.7
121.02964	1.4
121.06597	4.6
123.08143	1.8
125.02454	34.0
133.06551	1.5
135.04543	8.3
135.08199	2.2
136.05328	1.9
137.06120	2.3
145.10237	3.2
147.08205	1.1
148.05325	1.5
148.06541	0.6
161.06180	0.8
161.09723	1.6
162.06903	0.8
163.07660	100.0
163.11252	5.4
164.08002	3.2
165.05576	0.8
171.10258	0.6
185.09796	0.9
189.09401	0.7
191.16849	0.7
211.14917	1.3
212.12047	0.6
215.10771	5.4
225.09262	0.9
227.14348	3.1
229.15974	21.2
230.16521	1.1
239.10785	2.0
240.11577	1.4
243.13971	1.1
245.15471	3.4
255.13924	14.2
273.03806	1.2
273.14978	74.4
274.15320	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	273.1499
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
57.03441	2.9
57.97553	2.7
58.15269	0.8
65.00347	1.2
69.96999	2.2
81.03457	1.1
83.05048	1.0
93.07094	2.1
97.02913	1.3
97.06590	8.0
98.90440	0.8
107.05049	8.9
108.02187	5.2
119.05017	2.8
119.08680	34.6
120.05817	1.4
120.09010	1.4
121.06625	2.7
123.08131	0.9
123.85857	0.8
125.02464	35.6
133.06563	1.0
135.04520	4.7
135.08189	2.4
137.06111	2.2
145.10266	2.6
147.08150	1.4
148.05328	2.3
162.06897	1.0
163.07669	100.0
163.11246	7.5
164.08020	3.9
165.05667	0.8
193.05890	0.8
195.11655	1.1
211.11194	1.5
211.14915	2.7
215.10805	6.4
216.11095	0.9
225.09299	2.3
227.14432	3.0
229.15996	17.2
239.10764	7.2
240.11536	1.6
245.15485	1.5
255.13927	38.3
256.14273	2.3
273.04245	1.0
273.14996	56.9
274.15363	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	273.15
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
57.03445	3.8
69.04939	0.9
81.03486	1.3
83.01402	1.4
88.39173	0.9
93.03483	1.5
93.07088	1.8
95.05013	1.0
97.02968	1.6
97.06606	9.7
98.22720	1.7
99.52113	0.8
102.16263	0.8
107.05042	8.8
108.02181	10.8
109.06582	1.4
119.05022	4.1
119.08688	35.4
121.06621	6.0
123.08229	1.8
125.02463	33.5
135.04514	7.3
135.08170	3.3
136.05324	1.2
137.06094	3.0
144.00716	0.9
145.10269	4.7
147.08113	1.5
148.05345	1.3
149.06052	1.3
162.06894	1.1
163.07671	100.0
163.11295	6.7
164.07986	3.8
165.05627	1.0
174.10609	0.9
189.12836	1.0
197.09688	1.3
211.11411	1.6
211.14954	4.3
215.10767	6.0
225.09174	3.4
227.14471	6.4
229.15984	23.4
230.16478	1.2
239.10789	12.3
240.11481	3.0
243.13884	1.3
245.15477	3.0
255.13928	53.4
256.14291	3.1
273.14990	79.4
274.15274	4.7
286.72943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71222	1.1
55.01881	1.2
57.03445	4.3
59.01384	58.8
61.98835	5.6
64.71481	1.2
69.17034	4.3
69.17448	2.4
71.01389	27.2
72.99313	54.2
73.02950	15.1
74.02483	2.3
75.00886	8.2
78.95908	26.1
82.03031	1.0
83.01386	3.2
85.02960	36.0
87.00893	1.4
89.01933	1.8
89.02453	17.6
93.03468	1.5
95.01387	5.7
95.05064	1.3
96.95984	2.3
96.96977	2.2
99.00923	2.7
101.02439	14.5
101.06079	3.5
103.00374	14.3
110.98552	1.5
111.00908	2.1
111.04505	1.1
111.05650	1.3
112.07680	1.6
113.02462	44.6
116.97274	1.2
117.90041	1.0
119.04993	1.0
127.00375	1.3
127.05107	1.4
128.03561	1.6
129.01910	3.5
131.03520	13.1
131.08318	2.2
133.01422	5.3
135.04446	1.5
136.01584	1.4
136.93953	1.7
136.94916	1.1
136.98709	1.3
141.01714	2.6
143.05032	1.2
149.04532	3.4
151.04030	1.5
154.98375	3.7
154.99594	1.1
155.08290	2.5
156.84700	1.2
157.00049	1.3
157.01428	4.1
162.96509	7.6
163.02415	2.5
165.06705	1.4
170.99759	1.8
172.99316	1.4
175.02469	4.7
175.03862	1.2
176.91022	3.4
176.94203	1.1
176.98135	1.1
178.96091	1.7
183.07690	3.7
185.06117	1.4
187.03976	1.9
187.07709	2.5
189.04076	1.5
192.95807	1.8
192.97466	9.3
193.03545	100.0
194.03909	3.1
198.90620	1.1
204.96286	1.1
207.05104	17.2
213.05614	1.1
215.00479	4.2
225.03680	1.0
227.06808	3.5
231.06668	2.3
231.10150	1.7
257.04535	2.6
258.01257	2.1
275.05637	3.7
276.02527	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	275.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71222	1.1
55.01881	1.2
57.03445	4.3
59.01384	58.8
61.98835	5.6
64.71481	1.2
69.17034	4.3
69.17448	2.4
71.01389	27.2
72.99313	54.2
73.02950	15.1
74.02483	2.3
75.00886	8.2
78.95908	26.1
82.03031	1.0
83.01386	3.2
85.02960	36.0
87.00893	1.4
89.01933	1.8
89.02453	17.6
93.03468	1.5
95.01387	5.7
95.05064	1.3
96.95984	2.3
96.96977	2.2
99.00923	2.7
101.02439	14.5
101.06079	3.5
103.00374	14.3
110.98552	1.5
111.00908	2.1
111.04505	1.1
111.05650	1.3
112.07680	1.6
113.02462	44.6
116.97274	1.2
117.90041	1.0
119.04993	1.0
127.00375	1.3
127.05107	1.4
128.03561	1.6
129.01910	3.5
131.03520	13.1
131.08318	2.2
133.01422	5.3
135.04446	1.5
136.01584	1.4
136.93953	1.7
136.94916	1.1
136.98709	1.3
141.01714	2.6
143.05032	1.2
149.04532	3.4
151.04030	1.5
154.98375	3.7
154.99594	1.1
155.08290	2.5
156.84700	1.2
157.00049	1.3
157.01428	4.1
162.96509	7.6
163.02415	2.5
165.06705	1.4
170.99759	1.8
172.99316	1.4
175.02469	4.7
175.03862	1.2
176.91022	3.4
176.94203	1.1
176.98135	1.1
178.96091	1.7
183.07690	3.7
185.06117	1.4
187.03976	1.9
187.07709	2.5
189.04076	1.5
192.95807	1.8
192.97466	9.3
193.03545	100.0
194.03909	3.1
198.90620	1.1
204.96286	1.1
207.05104	17.2
213.05614	1.1
215.00479	4.2
225.03680	1.0
227.06808	3.5
231.06668	2.3
231.10150	1.7
257.04535	2.6
258.01257	2.1
275.05637	3.7
276.02527	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	275.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27182	1.1
52.30164	1.1
56.45041	1.4
57.03447	14.9
63.02400	1.5
63.12497	1.1
65.00343	2.9
69.14737	3.5
69.15146	4.5
80.96560	1.3
81.03461	100.0
82.03798	2.1
83.01395	13.1
88.04379	1.5
97.02974	3.2
98.21941	2.4
107.01421	2.3
117.03492	1.3
125.01526	2.7
125.02451	57.0
127.00387	2.6
143.05116	2.6
150.22607	1.2
150.40720	1.3
151.00403	4.0
158.06859	1.5
159.04578	3.5
161.02458	2.1
169.01433	33.6
185.06120	2.6
203.03546	1.8
231.03008	3.3
231.06682	17.2
257.04706	1.3
275.05658	63.9
276.05893	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	275.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.3
68.99818	1.6
69.03447	1.3
69.86816	3.8
71.01385	5.7
83.01418	1.4
85.02923	1.6
87.00896	6.9
87.01325	1.2
98.22596	1.4
99.00858	1.4
112.98834	4.8
115.05542	18.5
117.03452	3.9
119.05040	2.5
121.02979	2.2
122.89289	1.2
129.07104	1.6
131.04089	2.3
131.05031	31.6
133.06606	8.2
135.04544	12.1
140.01175	10.0
141.07114	2.1
143.05002	3.9
145.02925	1.6
147.00940	1.6
147.04575	1.8
147.08167	34.6
157.06529	5.6
159.04504	4.4
159.08192	6.1
161.06091	100.0
162.06421	2.6
169.06624	1.5
170.37035	1.3
173.06102	2.8
175.04025	2.6
175.07655	23.8
184.05325	2.9
185.06085	59.3
186.06427	2.5
187.04028	4.9
189.05614	3.3
203.03583	9.9
203.05293	2.5
203.07149	31.7
204.07530	1.9
213.05585	11.9
229.05069	40.5
231.02837	2.5
231.06621	4.2
257.04474	1.8
275.02225	2.8
275.05609	13.4
276.06451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97420	2.2
58.02987	21.9
58.21544	2.2
58.23568	2.3
69.13239	13.0
70.03027	2.5
72.04568	5.5
74.02484	44.2
82.02995	27.8
83.01411	8.6
85.04081	3.8
93.89546	2.5
96.04561	20.7
97.04095	29.4
98.02494	11.6
99.05655	48.0
100.00438	5.1
100.04089	3.5
101.02452	3.6
108.04584	16.1
109.04101	5.9
110.02507	5.6
110.06161	5.3
111.03270	2.4
112.04062	32.2
112.07691	23.4
113.02479	2.8
113.03592	19.0
116.92909	4.0
122.06164	9.8
124.04067	18.7
125.03616	6.1
125.04850	9.2
126.04388	2.8
126.05636	13.2
127.05167	29.6
137.07224	14.8
138.05647	4.9
140.07195	39.5
143.04663	9.1
150.04388	4.0
152.03563	10.6
155.08282	64.3
165.06718	48.6
181.06236	3.6
181.99837	2.7
183.07770	100.0
192.95915	2.9
194.23946	2.9
209.05640	2.8
209.48199	2.8
225.05211	4.2
227.06755	97.6
275.07123	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	15.6
69.56242	5.4
69.56636	5.4
70.02984	3.0
72.04539	3.4
74.02481	38.9
81.03452	2.8
82.02991	17.5
83.01382	12.1
85.04068	2.4
86.06108	2.2
87.05653	3.2
93.03487	3.8
95.01411	3.2
96.04550	18.1
97.02879	2.3
97.04086	26.1
98.02512	12.4
98.22580	4.1
99.05657	49.4
100.00430	4.8
100.04084	3.2
108.04562	17.7
109.04105	4.5
110.02483	3.8
111.00890	14.8
112.04064	29.3
112.07683	20.6
113.03592	14.1
119.05084	5.5
122.06128	10.3
124.04052	16.9
125.03558	3.6
125.04821	8.3
126.04375	3.0
126.05611	9.1
127.05144	30.7
135.04509	2.8
137.07216	12.7
138.05635	4.3
139.08766	2.9
140.07188	39.4
143.04633	7.9
150.04289	2.7
152.03525	11.1
153.01944	4.0
155.07011	4.7
155.08276	70.5
165.06721	45.0
166.05078	4.7
181.06120	3.6
183.07765	89.0
184.08142	3.8
200.01476	2.2
209.05785	3.1
225.05016	5.5
227.04495	5.5
227.06744	100.0
228.06993	3.2
275.07291	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	275.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	21.6
63.86005	2.2
69.03439	2.7
69.97927	2.8
69.98257	5.2
70.02993	3.0
74.02477	43.9
77.08674	2.6
81.34426	2.5
82.02531	4.1
82.02975	23.8
82.79641	2.8
83.01379	9.8
85.04073	5.2
87.05657	3.2
96.04567	20.0
97.04081	25.8
98.02479	14.0
99.05648	45.8
100.00396	6.7
101.02511	4.3
108.04549	17.6
109.04084	6.3
110.02535	6.1
111.00889	13.0
112.04069	27.7
112.07701	20.6
113.03576	19.6
119.05008	3.6
122.06109	8.5
124.04014	14.8
125.03570	3.1
125.04816	10.9
126.04377	3.1
126.05632	13.8
127.05148	31.3
135.04602	4.5
137.07208	11.0
138.05624	4.5
139.08751	2.8
140.07187	39.6
141.96561	2.4
142.13750	2.3
143.04642	12.7
150.04399	4.3
152.03517	10.6
153.01926	7.4
155.08270	59.1
159.04555	3.4
165.06700	47.6
166.05096	3.2
170.16824	2.6
181.06244	3.5
183.07742	89.7
191.04880	2.7
225.05197	5.0
227.06737	100.0
227.78166	3.0
228.06995	4.7
275.07385	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	275.071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41108	2.8
58.02983	25.2
59.01372	4.9
69.87008	9.9
71.01391	3.9
74.02479	44.0
78.95937	5.6
80.05060	3.5
81.03456	3.3
82.02990	26.8
83.01391	10.8
83.05038	3.0
84.04579	4.5
87.05616	4.3
96.04544	21.8
97.04073	23.4
98.02463	17.1
99.05643	47.7
100.00426	5.6
101.02460	3.2
107.23372	3.2
108.04549	19.8
109.04063	6.1
110.02496	10.5
111.00925	6.8
112.04065	30.6
112.07697	22.4
113.02454	3.6
113.03602	16.9
116.92870	4.1
119.05042	3.4
119.38527	2.8
122.06148	9.7
124.04062	17.1
125.03624	5.3
125.04833	8.5
126.04346	4.7
126.05616	10.1
126.77884	2.8
127.05136	28.3
137.07245	15.1
138.05597	7.2
139.08739	4.3
140.07181	36.3
143.04649	10.5
152.03542	9.6
155.08286	70.7
161.06102	3.2
165.06725	47.8
166.05132	5.2
170.11122	2.8
181.06198	3.7
183.07759	94.2
185.09399	3.2
187.07677	5.0
191.04915	4.2
192.95869	9.8
193.03464	2.9
209.05646	3.0
213.05609	4.8
215.03618	3.6
225.05309	4.0
227.06744	100.0
228.07037	3.8
231.06636	5.2
275.07062	23.7
275.10349	4.3
297.69101	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	275.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49249	4.3
58.02975	24.4
69.05466	3.6
69.98152	7.5
69.98451	5.1
71.62076	4.1
72.04573	4.9
74.02472	40.7
82.02982	26.8
83.01396	11.1
83.78407	3.5
85.02930	4.2
96.04559	24.1
97.04087	22.0
98.02499	11.5
98.22567	4.9
99.05645	50.8
100.00417	4.6
101.02455	4.9
101.70208	3.8
101.98544	3.8
108.04571	21.8
109.04066	4.7
110.02474	7.2
111.00896	13.2
112.04053	32.7
112.07687	28.4
113.03567	24.4
119.05069	4.6
122.06161	11.1
124.04073	16.1
125.03571	9.5
125.04848	10.9
126.04395	7.0
126.05627	15.7
127.05136	30.7
137.07233	14.9
138.05641	4.5
140.07191	38.7
143.04619	8.6
152.03505	9.7
153.02063	4.1
155.08272	63.8
165.06700	48.6
166.05118	3.9
181.06187	4.5
183.07764	100.0
227.06758	90.3
275.07181	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	275.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	4.1
59.01385	19.7
61.98846	2.4
66.51718	2.0
68.99579	9.9
69.83951	7.2
70.02984	3.3
71.01383	9.3
72.99313	4.7
73.02933	3.2
73.04073	16.6
74.02480	24.9
78.95917	18.4
82.02978	4.7
82.94627	2.7
84.04560	19.6
85.02943	6.5
88.04052	7.9
89.02438	4.0
96.96961	2.8
97.04108	5.0
98.02481	38.0
98.22573	2.6
99.05666	5.8
100.04043	2.5
101.02450	4.7
101.07253	2.6
102.04937	4.1
102.05620	82.5
103.00361	3.0
110.98540	3.7
112.03999	2.5
112.98576	10.7
113.02467	6.2
115.00417	3.8
115.05144	23.1
115.08780	56.6
116.03548	36.9
123.11205	2.2
124.04084	6.8
125.00123	10.2
127.05126	2.9
127.08784	7.2
128.03554	100.0
131.03522	2.2
136.04080	3.2
146.04614	81.1
146.08214	2.2
151.05135	3.8
157.09819	2.0
159.07791	4.4
167.03333	4.1
167.04633	41.4
183.07765	3.2
185.05705	2.7
193.03563	12.9
197.05704	40.4
198.14978	1.9
201.08791	24.6
213.08937	2.7
227.06709	6.4
231.10091	2.6
245.07788	21.6
257.07779	13.0
275.08881	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0889
Annotation	Glutamyl-glutamic acid
Peak:m/z	Relative Intensity
51.39217	3.1
54.46901	2.6
58.02980	3.6
59.01385	53.9
61.98837	39.5
64.39320	2.8
68.99538	3.7
70.02997	3.5
71.01389	38.8
71.58321	2.5
72.00909	4.4
72.04540	2.7
72.99323	21.6
73.02953	10.7
73.04070	20.3
74.02485	21.2
78.33710	2.6
78.95908	59.3
79.51394	2.7
80.14842	2.7
82.03011	2.9
82.94637	5.2
84.04560	15.3
85.02973	18.5
87.00890	5.4
88.04066	8.6
89.02441	44.9
89.03574	13.6
97.04089	8.2
98.02485	35.7
99.00889	3.8
99.05608	5.8
100.04008	2.7
101.02446	21.7
101.07277	4.0
102.05625	73.6
103.00404	6.7
104.03516	4.5
110.89932	4.9
110.98551	21.9
113.02468	25.5
113.03574	3.6
114.02510	6.2
115.00393	6.6
115.02096	7.5
115.05145	34.4
115.08792	42.0
116.03537	38.1
117.01965	5.6
117.06746	4.8
119.03529	5.8
124.04079	6.2
125.00114	44.2
126.93610	9.7
127.05174	4.7
127.08811	7.0
128.03557	100.0
131.03508	12.9
131.04428	3.7
132.04178	13.1
133.01396	3.4
145.06207	10.5
146.04610	73.0
149.04588	31.4
159.04700	8.7
167.04617	32.2
172.96844	5.5
174.07730	6.4
183.07829	3.3
186.04630	6.7
191.01935	3.3
191.05550	4.7
193.03540	32.6
197.05707	47.0
199.00060	3.6
199.07280	3.7
201.08829	24.5
201.12466	7.8
213.08989	3.6
218.15823	2.8
227.06812	9.5
227.16878	3.7
239.07750	7.8
245.07719	16.3
257.07767	11.9
257.11700	3.7
275.05603	9.4
275.08887	72.1
276.07669	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1139
Annotation	Itoside M
Peak:m/z	Relative Intensity
50.42841	1.1
51.37568	1.2
55.01877	3.7
55.96174	1.1
57.03448	9.3
59.01386	28.3
67.01887	1.1
69.19022	7.5
71.01388	41.2
72.99313	8.0
73.02961	2.2
75.00879	100.0
83.01400	1.7
84.02155	1.8
85.02956	56.3
85.03477	2.8
87.00888	18.4
89.02457	2.8
95.01389	3.8
99.00914	4.4
103.00370	1.4
113.01717	2.2
113.02456	32.7
115.00369	1.4
117.01971	4.1
126.33395	1.1
126.46033	1.1
129.01935	3.8
130.99866	1.4
135.04495	1.1
157.01443	3.9
159.04533	3.1
161.06068	1.7
203.03445	1.8
215.09256	4.7
257.10284	5.4
275.11383	94.5
276.11646	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	275.1141
Annotation	Itoside M
Peak:m/z	Relative Intensity
51.75173	1.0
53.47875	0.8
55.01876	4.0
57.03457	12.9
59.01385	9.1
60.38171	0.9
67.01878	2.2
68.99828	2.1
69.03445	0.9
69.11190	2.1
69.11597	3.9
71.01388	12.6
72.99321	11.5
73.02937	2.0
75.00881	100.0
75.14594	0.9
83.01389	4.9
84.02175	1.5
85.02962	54.9
86.03304	1.1
87.00893	6.2
89.02472	1.9
93.03436	0.8
95.01394	6.3
99.00886	6.3
99.08170	24.4
101.02454	1.6
103.00380	1.2
111.00897	1.7
112.01692	1.0
113.02460	14.1
113.09736	1.0
115.00395	1.4
116.01213	1.5
117.01948	2.3
118.76311	0.8
129.01965	2.9
133.02986	4.8
136.07692	2.1
138.61246	0.8
153.09236	3.3
157.01459	3.3
157.08701	6.0
159.04587	1.4
166.11588	0.8
175.04036	2.1
201.11404	4.7
203.03488	5.0
203.85960	0.9
231.03026	3.6
257.10272	6.3
275.11414	87.2
276.11829	4.4
296.14600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96256	22.0
61.93022	27.2
69.42571	100.0
69.94436	28.3
72.22751	28.0
83.01398	44.6
94.36169	26.9
98.22639	60.4
99.72399	23.8
121.02958	99.2
123.71547	25.4
151.57375	23.2
154.99930	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	277.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93987	0.4
56.75452	0.4
63.85466	0.4
68.99808	0.4
73.35883	0.4
73.69527	0.4
83.01397	54.1
84.01736	0.4
90.91078	0.4
91.05514	0.5
98.22695	1.2
109.02952	0.7
109.13002	0.4
111.00905	0.4
121.02972	100.0
122.03297	2.0
127.00349	0.8
133.79851	0.5
135.04549	1.8
154.99889	29.9
156.00232	0.7
163.03894	0.4
163.09433	0.4
171.89847	0.4
184.91052	0.4
187.04041	3.2
191.59096	0.4
205.05070	5.1
246.11346	0.4
259.02567	1.7
262.38391	0.5
277.03531	10.4
277.15598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92429	0.4
68.99789	0.5
71.42739	0.5
83.01393	57.2
84.01718	0.8
93.03454	0.5
109.02961	1.8
117.00093	0.4
117.03477	0.5
121.02966	100.0
122.03345	2.2
123.00887	0.8
127.00385	0.6
133.02917	0.4
135.04573	2.4
145.02922	0.6
154.99878	29.7
156.00201	0.5
171.04573	0.7
187.04036	3.8
205.05070	5.7
259.02365	1.9
277.03558	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	277.0539
Annotation	4,4'-dihydroxybenzyl sulfone
Peak:m/z	Relative Intensity
64.68040	0.2
78.95904	0.3
79.95744	21.6
80.96512	0.2
83.01398	0.9
89.39570	0.2
95.01410	0.3
96.96033	0.5
105.03437	0.5
106.04259	1.9
107.05042	64.4
108.05378	1.1
121.02969	2.2
122.03753	23.8
123.04533	1.1
135.04543	0.8
154.99875	0.6
170.00491	0.8
185.99962	0.5
187.00711	1.2
213.09233	1.9
277.05417	100.0
278.05774	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	277.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74585	0.2
69.49554	0.7
79.32526	0.2
79.95739	9.9
83.01398	0.8
98.22573	0.4
109.10941	0.2
121.02939	1.5
122.03754	22.4
123.04078	0.4
140.58322	0.2
154.99919	0.4
160.69913	0.2
170.00464	1.4
185.99945	24.9
187.00232	0.7
191.63428	0.2
198.06847	0.8
213.09227	0.5
277.05417	100.0
278.05759	5.6
298.67877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0542
Annotation	4,4'-dihydroxybenzyl sulfone
Peak:m/z	Relative Intensity
60.56477	0.3
63.74143	0.2
68.23172	0.2
69.49229	0.5
69.49609	0.4
69.75718	0.2
79.95735	8.0
80.96548	0.3
83.01405	0.4
98.21929	0.4
104.64747	0.2
121.02982	0.9
122.03753	24.1
123.04060	0.4
158.00415	0.4
168.64326	0.2
170.00478	1.3
184.99081	0.4
185.99936	27.8
187.00287	0.7
198.06824	0.7
213.09204	0.6
277.05408	100.0
278.05753	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	277.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44077	0.6
55.01875	1.9
55.39921	0.5
55.95290	0.5
57.03466	0.7
59.01377	1.9
59.08773	0.5
68.99820	2.0
69.03457	1.0
69.65876	2.2
71.01389	2.6
72.99312	100.0
73.02952	5.2
73.99618	0.6
81.03473	0.7
83.01392	8.3
85.02960	4.8
87.00864	4.5
91.05553	0.6
93.03471	1.9
95.01395	2.0
99.00896	4.9
101.02441	2.0
102.98621	0.5
103.87604	0.6
107.94852	0.5
109.02934	0.9
111.00905	2.8
113.02435	1.0
115.05563	1.5
117.03476	4.6
117.07124	1.6
119.05021	6.1
120.99721	0.6
121.02962	1.9
124.01683	5.2
125.02457	1.3
129.01950	2.7
129.07137	0.9
130.04260	1.2
131.05045	8.8
133.06602	3.9
135.04546	0.8
139.00397	0.6
141.07143	1.7
143.05043	2.0
143.08730	1.3
145.02966	0.9
145.06573	3.0
146.08241	0.8
147.04602	2.8
147.08199	5.0
152.40709	0.6
153.01921	3.5
154.99788	0.6
156.05873	1.2
157.01421	1.8
157.06595	1.5
159.04453	1.2
159.08215	3.2
160.09277	0.6
161.02460	1.6
161.06094	27.8
169.06599	1.8
171.03120	1.1
171.04515	3.1
171.08171	5.6
173.06117	0.8
174.03181	1.0
175.03969	1.6
175.07637	2.9
185.06078	1.0
187.04053	0.7
187.07655	11.1
189.05582	4.5
189.09242	1.5
197.06079	3.3
203.07124	5.7
215.07141	10.2
216.07401	0.6
233.04581	1.8
233.08229	3.8
233.11279	0.8
241.05025	1.3
259.06116	4.9
277.03632	1.7
277.07245	5.4
277.14722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.123
Annotation	(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Peak:m/z	Relative Intensity
58.02980	17.1
58.42494	0.7
59.01389	4.2
60.80554	0.7
63.24803	0.8
69.89306	1.5
69.89626	1.0
71.01384	5.3
71.05016	2.6
73.02969	2.3
74.02495	2.1
77.33510	0.7
78.95905	1.1
83.01385	1.2
85.02962	2.0
87.00892	2.0
87.02745	2.3
87.05663	0.9
89.02422	0.8
95.01411	1.1
99.05648	19.0
101.02466	3.0
110.67419	0.8
113.02476	1.7
114.93480	0.7
116.01774	3.6
121.02969	0.9
125.02428	0.8
128.54759	0.7
131.05377	1.6
133.04462	4.5
133.06944	41.5
143.04637	100.0
144.04964	1.0
145.28181	0.7
146.08255	8.9
152.91698	1.0
161.04509	1.2
186.93472	0.8
204.10045	0.8
211.52324	0.8
217.11925	2.1
277.12283	34.8
277.21603	0.8
278.12604	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	277.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	3.6
59.01373	0.3
62.24081	0.3
63.18988	0.2
65.51958	0.2
70.02984	13.1
71.01360	0.6
71.05025	25.7
71.41625	0.3
72.00915	0.9
76.40062	0.2
83.01396	0.9
87.05642	8.6
89.67287	0.3
97.04116	0.4
99.04524	7.7
109.02972	0.2
114.05641	0.3
115.05136	2.0
116.07173	3.2
116.81290	0.2
119.05016	0.4
121.02972	1.3
129.05620	2.1
130.03328	10.1
140.83942	0.3
146.08240	100.0
147.06001	5.4
147.08543	2.0
204.33798	0.3
217.11938	24.8
218.12273	0.9
243.13472	0.8
277.12283	36.5
278.12585	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	277.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78816	0.4
58.02978	4.7
59.01382	5.9
69.39501	2.2
70.02985	12.3
71.01393	1.9
71.05029	26.5
72.00908	1.5
72.05351	0.5
73.02953	0.6
85.02952	1.5
85.06592	2.8
87.05637	7.4
91.05544	2.7
98.06145	0.7
98.21983	0.9
99.04536	7.8
101.02477	0.5
108.98862	0.4
109.05477	0.5
110.94117	1.4
113.06112	1.1
115.05143	2.0
116.07182	3.8
129.05585	2.1
129.10362	15.4
130.03348	10.0
131.03845	0.6
131.07155	9.0
132.04091	0.6
146.08250	100.0
147.04538	4.5
147.05995	6.2
147.08588	1.9
163.28932	0.5
164.07164	3.5
182.73363	0.5
217.11958	23.0
217.14091	1.1
218.12134	0.5
233.16588	1.0
243.13556	1.0
277.12469	43.8
277.15640	17.5
278.12720	1.4
278.15878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1296
Annotation	Pentoxifylline
Peak:m/z	Relative Intensity
55.01885	4.9
56.79713	0.6
57.03454	15.2
59.01384	10.7
63.62701	0.6
65.85476	0.5
67.01901	1.7
68.99830	3.1
69.03461	0.7
69.15758	3.0
69.90221	0.6
71.01389	11.9
72.99311	6.0
73.02956	2.0
75.00882	100.0
83.01390	4.8
84.02187	0.8
85.02961	55.3
86.00114	0.7
86.03288	0.6
87.00896	5.0
88.01684	1.8
89.02432	0.7
94.03831	0.5
95.01408	9.1
97.02965	1.5
99.00888	3.1
99.08192	2.2
101.02473	0.7
101.09727	1.2
111.00886	1.0
112.01671	2.7
113.02463	20.4
115.00378	1.6
116.01211	0.7
117.01984	2.8
121.02978	1.1
129.01970	3.6
130.99875	1.0
131.34291	0.6
143.10806	0.7
152.63701	0.5
157.00269	0.5
157.01384	3.2
162.03452	0.5
168.37219	0.5
175.02492	0.9
187.24980	0.5
215.12849	2.6
217.10788	3.2
259.11880	6.7
277.12946	97.1
278.13245	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	277.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.32656	1.9
60.01685	1.8
70.16890	1.9
71.01392	8.9
71.40678	2.2
72.99327	2.4
73.02940	3.3
79.95752	6.8
80.85734	1.7
80.96528	3.9
83.01385	4.9
85.02959	3.8
101.02460	7.7
108.03786	1.9
113.02466	5.3
118.98103	7.1
119.05086	1.9
121.02977	5.4
127.21321	2.0
133.06952	5.6
143.04652	12.3
146.08272	6.1
161.04642	3.3
162.63338	2.0
233.08154	4.1
235.11792	11.9
277.05072	2.2
277.07645	2.7
277.12378	5.0
277.21951	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	277.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10505	0.5
56.14323	0.4
57.03463	0.8
57.91116	0.4
59.01386	7.1
69.13297	0.7
69.13702	2.3
71.01391	0.5
71.65514	0.4
75.02389	0.7
79.95734	0.6
96.95998	0.6
109.26869	0.4
111.08144	1.3
113.09732	1.1
119.01387	0.6
119.05022	1.6
121.02972	14.9
127.11316	15.4
129.12849	0.8
134.89407	0.7
147.00925	2.0
148.05318	0.8
152.26027	0.4
155.10815	0.6
165.01941	1.1
189.12827	0.5
194.92551	0.4
195.42314	0.5
205.15956	2.2
233.15388	1.2
233.19237	0.7
233.22733	0.8
259.20663	0.5
277.14529	7.1
277.18228	10.8
277.21732	100.0
278.18951	0.8
278.22067	3.8
283.05103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1562
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
58.02978	2.9
59.01078	1.3
59.01383	21.5
69.36270	3.1
70.02982	10.4
71.01385	4.9
71.05025	20.0
72.00915	2.9
73.02938	1.8
79.59614	0.6
83.01375	1.0
85.02970	3.9
85.06597	9.2
86.00093	0.7
87.00864	1.0
87.05657	7.1
89.02443	1.7
91.05542	12.5
95.42945	0.6
99.04529	6.2
101.02460	2.0
103.04009	1.5
103.05567	0.8
104.42136	0.7
106.24317	0.6
109.02950	0.8
110.94118	1.9
112.07664	1.2
113.06109	6.0
115.05150	1.3
115.07643	0.8
116.07179	3.1
118.06668	1.0
119.03471	0.6
127.07691	1.3
129.05597	1.3
129.10359	68.1
130.03342	8.5
130.10715	1.5
131.03780	1.0
131.07153	34.0
146.08243	75.3
147.04555	20.5
147.05923	3.6
147.08565	1.5
164.07190	17.7
165.07515	0.7
168.25102	0.7
217.11946	22.0
233.16632	5.8
277.12650	72.4
277.15591	100.0
278.12894	2.9
278.15952	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.156
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
69.14605	4.6
71.05048	0.9
72.00916	2.1
82.06639	3.0
82.49165	0.7
91.05540	14.3
98.22694	1.4
112.07712	5.1
118.97187	0.6
119.14066	0.7
121.02980	1.9
129.10356	68.7
130.08763	4.3
130.10696	0.9
134.19945	0.7
135.04584	0.8
141.10345	1.9
147.04536	19.8
148.04999	0.8
161.51897	0.7
164.07187	17.1
164.74762	0.7
177.09848	0.8
210.29007	0.7
233.16595	5.1
239.63995	0.7
277.15601	100.0
278.15839	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	277.1664
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
50.95063	0.6
59.01449	3.6
60.97569	1.1
62.24128	0.6
68.93342	0.6
71.41595	0.7
119.93387	0.6
121.03135	3.5
134.89502	0.9
146.99515	1.0
147.08507	4.8
149.00972	1.0
161.03929	0.6
165.00482	12.2
169.56262	0.7
189.04182	1.6
191.05693	11.4
205.07213	1.6
231.08810	2.1
233.10370	100.0
234.10603	5.9
277.16580	81.7
277.21658	8.6
278.16727	6.5
292.10449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.07504	0.7
59.01384	10.7
61.98824	1.0
69.15213	1.1
69.15617	2.8
71.01398	0.8
78.95920	0.9
79.95737	1.1
83.01397	3.5
83.16718	0.6
83.99226	0.6
103.79619	0.7
119.05043	0.9
119.79014	0.7
121.02145	1.1
121.02964	8.9
127.11295	1.7
134.89478	1.6
152.91762	1.9
154.99896	2.6
194.92841	2.8
194.95529	0.8
196.78865	0.8
205.15944	3.8
212.93695	0.7
233.15503	1.1
233.19064	1.8
233.22690	0.8
241.79193	1.0
277.14783	2.4
277.18143	20.5
277.21722	100.0
278.18787	1.0
278.22070	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	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.51351	0.3
58.66363	0.3
59.01380	2.5
61.98830	0.9
71.01375	0.7
71.30862	0.3
71.44884	0.4
79.13541	0.2
83.01369	0.7
119.94739	0.3
121.02948	1.2
151.60565	0.3
154.99919	0.3
161.02492	0.4
216.54442	0.3
218.86691	0.7
233.22772	0.5
259.20514	0.4
275.20151	0.5
277.21735	100.0
278.22067	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	1.4
59.01384	11.2
61.98813	1.0
71.48697	1.0
76.97006	1.0
83.01392	5.1
93.03439	1.1
121.02966	12.9
133.02962	4.0
134.89525	1.9
152.91756	2.9
154.99814	2.4
162.74263	1.2
177.01941	1.6
194.92775	4.5
205.15884	1.8
262.12070	4.8
277.14548	5.3
277.18130	22.3
277.21707	100.0
278.22061	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	278.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
55.95542	0.8
57.03451	3.1
59.01388	48.5
61.98835	17.8
68.26967	0.9
70.08574	1.0
70.08900	1.9
71.01387	27.7
72.99316	50.2
73.02955	19.6
75.13714	0.9
75.72993	1.0
83.01409	2.0
85.02961	32.7
87.00893	1.5
89.02454	15.5
95.01418	6.7
99.00925	2.0
101.02449	15.8
101.98117	2.3
103.00381	18.4
113.02462	54.6
114.02870	1.5
115.00405	1.9
129.01976	1.1
131.03534	12.1
133.01437	5.6
143.99150	5.9
149.04539	1.1
157.01437	3.9
157.97101	2.6
163.02536	2.7
175.02559	4.1
175.06184	1.2
193.03563	100.0
194.04039	2.1
217.99266	1.8
250.11284	0.9
278.01340	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	279.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68060	0.7
57.03469	0.9
59.01384	3.1
67.03014	2.3
71.01385	2.0
75.00879	0.9
79.95752	6.0
80.96539	1.1
85.02970	0.9
85.90504	0.6
86.23656	0.7
87.00885	100.0
88.01184	0.7
91.46436	0.6
99.00883	1.1
111.00887	1.3
112.98824	9.1
113.02489	1.0
130.99872	20.6
131.06165	0.9
133.04099	8.3
135.04597	0.8
139.00392	1.5
140.00693	0.6
145.06577	1.9
147.04514	1.7
147.08189	1.4
163.07671	0.8
165.05710	0.6
166.84344	0.7
171.08232	1.4
173.06076	1.0
190.99126	0.8
191.07150	1.8
191.10788	2.9
201.06686	1.1
212.81377	0.6
234.03427	0.6
235.04237	1.3
235.06297	1.4
235.09772	2.0
235.13451	1.4
238.53572	0.6
240.77936	0.6
257.65024	0.6
263.37811	0.7
279.03006	1.3
279.06808	0.9
279.09003	2.2
279.12317	3.5
280.09607	0.9
300.02841	0.8
301.03540	4.9
302.03857	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	279.1088
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01866	1.7
59.01383	100.0
61.98849	2.0
71.01387	46.7
73.02921	2.0
74.99106	3.7
78.95926	3.2
85.02962	8.3
89.02447	44.6
89.02947	3.0
95.01412	2.8
99.04539	7.5
101.02446	32.6
113.02454	16.4
117.05611	8.1
119.03503	25.9
126.45893	2.0
134.97057	2.3
135.04587	2.4
136.96719	5.1
137.02470	4.5
141.98210	2.4
143.03529	2.0
172.54376	1.9
176.96608	1.9
180.89102	2.0
187.57372	2.0
218.38683	2.2
218.90253	2.5
250.69643	2.1
279.05679	4.6
279.10934	66.6
279.23312	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	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01375	0.8
118.16566	0.5
129.66255	0.5
133.98404	0.5
261.22180	0.7
279.23300	100.0
280.23694	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	280.0618
Annotation	Aristolactam AIIIa
Peak:m/z	Relative Intensity
54.75829	0.5
57.63566	0.5
58.03992	0.5
59.31687	0.5
64.01920	3.0
65.99854	26.2
68.99814	1.7
71.41469	0.7
73.58101	0.6
74.15285	0.5
76.01956	0.7
88.01936	2.1
89.99860	1.2
90.03497	1.7
101.50275	0.5
104.01427	0.8
105.02211	0.8
108.00958	2.9
120.00938	2.9
126.28929	0.6
132.00934	12.1
133.01747	3.0
134.02486	2.3
139.95190	0.5
148.00450	1.5
149.01239	0.7
150.01981	1.8
160.61385	0.5
171.04572	5.2
175.99898	34.0
177.00211	0.8
186.86386	0.6
189.00665	6.3
194.00931	0.7
208.07494	0.7
210.05716	0.8
220.99698	0.9
236.07288	1.0
238.05057	3.6
252.06650	5.2
262.05115	0.6
279.23581	0.6
280.06165	100.0
281.06323	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	280.0616
Annotation	Aristolactam AIIIa
Peak:m/z	Relative Intensity
59.01375	0.8
64.01928	8.0
65.00335	0.7
65.99854	62.2
67.00199	0.6
68.99836	1.5
71.41549	0.3
75.61751	0.3
83.01425	0.5
88.01932	3.4
89.99864	2.8
90.03506	0.7
101.03974	0.3
102.56158	0.3
105.02222	1.5
108.00933	5.5
108.01647	0.5
120.00970	0.4
132.00935	2.4
133.01720	3.4
134.02484	0.9
141.07126	0.7
145.06613	0.4
148.00421	1.6
150.01938	0.3
161.01154	1.6
169.06589	1.0
170.06233	0.4
171.04523	7.0
175.99908	27.9
177.00270	0.6
189.00722	3.3
192.08182	0.4
194.01006	0.4
194.06168	0.9
208.07652	1.8
210.05653	1.3
212.07256	0.5
213.05637	1.2
236.07143	2.0
238.05080	4.7
252.06631	2.0
262.05225	0.4
269.96201	0.3
279.18808	1.1
280.06165	100.0
281.06335	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	281.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.7
57.03455	8.8
59.01382	21.3
64.61774	0.7
69.03450	1.9
69.28423	1.6
69.28809	2.3
71.01389	100.0
72.01694	0.9
72.99313	3.0
73.02956	22.9
78.95927	0.9
83.01402	10.0
84.02189	1.8
85.02959	66.4
87.00887	2.7
89.02462	6.8
95.01398	16.4
97.02934	0.8
99.00887	7.6
101.02451	20.5
107.05029	1.7
109.40200	0.8
111.00871	1.4
113.02465	79.2
117.03476	1.3
119.05038	61.9
120.05376	1.6
123.04503	0.8
125.02534	1.0
127.13739	0.8
134.03760	2.8
135.04471	1.0
137.02437	1.1
137.06108	5.1
143.17001	0.8
148.05325	2.4
149.06111	0.9
160.05296	1.1
161.04594	4.7
161.05988	1.0
166.68930	0.8
173.75412	0.9
178.02747	1.7
178.06119	0.8
193.05064	4.2
219.06700	1.6
221.08261	1.5
222.05319	0.9
237.07706	3.0
281.01151	0.7
281.04190	1.4
281.06979	2.7
281.10379	12.5
281.24734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.6
57.03456	7.8
57.62351	0.6
59.01385	20.1
69.03461	1.6
69.55327	0.7
71.01389	100.0
72.01723	1.1
72.99319	2.6
73.02956	21.7
75.00897	1.1
78.91255	0.6
78.95906	0.8
79.95752	0.6
83.01392	8.0
84.02182	1.7
85.02958	62.6
87.00901	3.0
89.02448	6.2
91.66347	0.5
93.00140	1.6
93.04594	1.2
94.02987	1.5
95.01396	16.2
96.96037	1.1
97.02962	0.7
99.00893	5.6
101.02451	18.9
111.00936	0.9
113.02463	73.4
114.02830	0.8
117.03702	1.3
119.01750	0.9
119.05040	57.7
120.05395	1.5
121.26823	0.7
134.03758	11.3
137.02496	1.4
137.06096	5.3
149.06108	5.2
161.04570	4.7
161.06369	2.1
166.01791	1.5
177.05493	0.7
178.02734	6.9
193.05083	23.4
194.05559	1.2
263.09583	2.3
266.78464	0.7
281.04532	2.9
281.06998	3.3
281.10464	17.1
281.24838	1.5
282.10596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12354	0.6
55.01884	7.8
57.03451	8.6
59.01383	25.5
68.99816	0.7
69.03468	1.6
71.01387	100.0
72.01726	1.0
72.99317	2.3
73.02952	22.0
79.95738	1.9
83.01400	10.6
84.02170	1.3
85.02956	60.1
87.00891	3.2
87.04519	1.3
88.96362	0.8
89.02444	6.9
93.03456	0.6
95.01396	16.5
95.05011	0.9
95.80664	0.9
97.02983	1.4
98.22661	2.3
99.00889	7.4
101.02449	17.4
107.02522	1.5
107.05059	1.1
109.06646	0.7
110.03669	0.8
111.00893	1.1
113.02461	71.4
114.02802	1.6
119.05035	62.9
120.05364	1.9
121.06597	0.9
123.04481	0.7
123.08209	1.1
134.03654	2.2
135.02036	0.9
135.05595	1.3
137.06081	6.2
145.06584	1.1
149.06158	0.8
149.09743	1.9
161.04594	4.9
175.11328	1.3
178.02588	1.0
191.30939	0.8
193.12372	2.0
198.73813	0.6
219.10275	1.3
237.07697	1.3
237.11351	2.3
238.13722	0.6
256.09897	0.7
261.56903	0.7
263.09113	0.8
281.07043	2.3
281.10345	16.0
281.13538	1.3
282.08810	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	281.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17197	0.6
56.98034	1.5
58.16606	0.5
58.99608	100.0
60.57218	0.5
63.96244	2.9
66.05032	0.4
69.30059	2.8
72.99316	6.6
73.98330	2.2
74.99104	49.4
76.38784	0.6
87.00885	11.3
92.84135	0.6
95.80711	0.5
112.83962	0.5
117.97343	2.1
118.98153	0.8
135.98370	5.4
136.99161	30.1
137.99498	0.7
147.01231	2.5
153.45636	0.5
154.31046	0.5
157.06938	10.1
173.11447	0.5
175.07983	6.9
193.08943	4.4
197.74817	0.5
232.85265	0.6
241.76871	0.6
263.09589	4.0
281.07510	1.7
281.10657	51.8
282.02591	1.1
282.10947	1.8
294.90680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1185
Annotation	2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Peak:m/z	Relative Intensity
51.08916	0.5
55.00752	0.4
59.01357	0.5
63.78023	0.4
65.03963	0.5
71.43914	0.6
73.08192	0.4
83.37007	0.5
84.06762	0.5
91.05556	1.9
96.19234	0.4
119.05054	3.4
123.00935	0.7
124.20854	0.5
133.06601	5.8
135.04512	2.6
137.02464	3.1
138.03288	0.5
140.02409	0.4
145.02991	1.2
147.04521	1.9
148.05354	1.5
163.04030	6.2
164.04808	71.5
165.05533	3.8
181.12360	1.4
194.02986	0.5
196.08942	0.5
204.79066	0.5
240.07941	1.0
263.10681	0.6
263.20377	0.9
281.11856	100.0
281.21164	6.0
282.12115	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	281.1188
Annotation	CHEBI:69248
Peak:m/z	Relative Intensity
59.01423	0.6
69.15152	2.4
72.72389	0.5
79.95803	1.0
93.03524	0.5
94.93713	1.9
96.82972	0.4
96.96016	10.1
110.42641	0.5
140.22829	0.6
194.07404	1.4
200.29001	0.5
207.11787	3.4
219.11859	0.6
222.06889	12.3
223.11346	0.8
236.08463	11.2
237.08839	0.5
250.09836	0.9
251.10789	83.5
252.11090	5.0
262.10001	1.0
263.10776	39.8
264.11203	2.5
279.10297	1.4
281.11801	100.0
281.14322	7.0
282.12115	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	281.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46240	0.2
58.31952	0.2
59.01364	0.2
64.79241	0.2
68.42796	0.2
69.13420	1.2
79.95731	1.9
85.72174	0.2
96.96021	9.7
170.00391	0.5
183.01207	1.0
184.01978	0.4
196.01988	1.0
197.02777	0.9
209.02783	3.2
210.03534	1.1
211.04286	0.3
217.16046	1.6
223.04350	2.7
224.05133	0.9
237.05870	0.6
251.07480	7.8
252.07834	0.4
265.09076	3.3
266.09662	0.7
281.12131	100.0
282.12463	5.0
282.15295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1398
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01870	2.6
57.03176	1.1
57.03453	17.8
59.01386	9.8
65.03955	4.2
69.03465	2.0
69.93698	2.0
69.94016	0.9
71.01373	6.4
71.05019	2.4
73.02930	1.9
74.99076	1.2
79.95747	9.6
81.03445	1.1
81.07090	1.0
83.01400	0.9
83.05031	17.3
84.63532	0.8
85.02943	4.0
85.06610	0.8
87.00889	20.5
93.03462	2.9
94.04246	1.0
95.01405	2.7
95.05040	5.7
96.02151	1.6
96.96007	2.5
97.02945	1.3
97.06593	0.9
98.03706	1.0
101.06097	1.0
106.04259	0.9
107.05061	1.7
109.06619	1.9
111.04534	7.9
111.08156	4.3
113.02461	5.1
113.06103	1.8
113.37655	0.8
117.03463	6.3
119.01384	0.9
119.05047	4.3
119.08680	2.4
121.06609	10.3
121.10262	1.2
122.03761	0.9
123.08180	41.7
124.05306	3.3
124.08473	1.5
125.09726	0.9
129.07080	2.0
133.06606	1.5
134.03731	1.8
135.08200	2.0
137.02438	1.3
137.06093	2.5
137.09775	4.8
138.06929	1.7
139.07675	8.0
143.08791	1.0
145.06674	0.8
145.10303	5.7
149.09668	1.2
151.07640	4.9
153.09265	5.2
164.07222	1.0
165.09171	1.2
169.08694	2.6
169.10228	4.4
171.11813	47.8
172.12157	1.8
175.11325	1.7
178.02652	1.2
185.06065	2.0
189.12860	15.1
191.11037	1.2
193.05058	2.6
201.12894	13.4
207.13910	10.6
208.14258	0.9
209.06046	0.9
219.13951	8.6
237.05804	1.1
237.08119	5.8
237.14986	59.0
238.15297	2.0
252.20221	1.1
253.04787	1.0
281.04349	4.9
281.07159	4.9
281.10745	5.3
281.13953	100.0
282.14301	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	281.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13710	0.2
51.90080	0.2
53.28252	0.2
59.01366	0.3
65.23283	0.2
68.00507	0.2
69.28204	1.2
79.95740	2.0
79.96095	0.2
92.32065	0.2
93.03455	0.6
95.95255	0.5
96.96023	100.0
117.03462	0.4
119.05049	0.3
137.02457	0.6
187.29634	0.2
192.06931	0.2
281.14307	81.6
282.14648	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	281.143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75073	0.2
61.84130	0.2
69.54150	0.9
74.41576	0.2
79.95733	2.0
81.39449	0.2
95.95222	0.4
96.96017	100.0
97.95945	0.3
180.23123	0.2
197.61951	0.2
223.28171	0.2
281.14288	72.2
282.14621	3.9
291.56500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1761
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
52.32678	1.0
52.80849	0.8
59.01385	47.6
61.42205	1.0
69.03467	8.2
69.67903	3.3
83.05013	1.2
89.34362	0.9
93.03475	1.3
95.05016	2.3
96.96025	7.7
97.06602	11.1
99.08144	5.0
107.08669	4.5
107.22553	0.9
108.05782	3.0
111.08143	1.0
117.03472	1.5
119.08683	13.1
125.06083	5.5
135.08157	5.2
137.06119	1.5
137.09738	46.0
143.07155	100.0
144.07466	2.0
155.07117	2.1
173.08180	10.5
175.89273	0.9
183.10248	1.1
219.17558	2.1
263.16522	8.8
281.11789	2.6
281.14297	4.8
281.17542	34.4
281.24716	1.0
282.17926	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1762
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
50.34848	0.6
57.03455	0.8
59.01385	100.0
60.01726	0.8
60.99314	0.7
63.07550	0.6
66.92372	0.5
70.08443	1.2
70.08786	0.9
79.95763	1.4
80.96538	1.1
81.03495	1.2
87.00901	0.8
95.40122	0.6
96.96019	47.7
98.95653	2.0
117.03480	1.7
146.52345	0.5
149.09760	0.8
151.11357	2.0
158.03888	0.8
163.11380	0.6
165.12813	1.2
179.61015	0.5
195.15286	0.6
200.04800	0.8
219.17513	3.5
221.15514	3.5
281.11954	3.1
281.14389	35.6
281.17688	40.4
282.14960	1.4
282.17993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2488
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
66.91601	0.5
69.42410	0.6
129.96745	0.6
200.64168	0.6
281.24881	100.0
282.25211	6.7
291.54578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0772
Annotation	Evoxanthine
Peak:m/z	Relative Intensity
50.00333	1.6
52.63148	1.3
59.85146	1.4
64.01912	5.8
65.00332	23.8
65.99854	16.6
66.03496	19.7
66.17739	1.4
67.01888	3.1
73.22118	1.7
81.03465	18.5
83.01369	7.4
90.03501	91.5
91.03837	2.4
92.01431	27.7
98.21909	5.1
103.06087	1.5
106.02998	14.5
109.02968	52.4
110.00081	1.7
117.03466	5.3
119.05077	3.4
132.04581	26.8
132.05519	3.0
133.01466	2.2
134.01546	2.3
134.02512	35.3
135.96953	1.3
136.98820	24.8
139.05482	1.4
143.05013	4.5
145.06607	6.8
148.04039	3.8
155.05049	2.7
163.00391	8.8
164.98300	4.4
165.99094	2.2
167.04993	1.6
171.04543	3.6
176.03552	100.0
177.03877	3.1
182.03578	1.9
183.04570	3.7
185.02441	2.1
187.07668	20.5
196.07680	19.9
197.06197	2.1
197.07976	1.6
198.03247	2.1
199.03983	2.6
211.04036	6.1
227.03482	4.7
238.08740	25.5
239.03706	2.7
255.03014	34.4
264.06705	5.0
268.03818	33.8
282.07782	59.5
283.02573	65.7
283.06024	10.5
283.11264	2.0
300.21884	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	282.0848
Annotation	Guanosine
Peak:m/z	Relative Intensity
53.31152	0.1
54.26643	0.1
54.89286	0.1
59.01388	0.2
61.98835	0.2
65.99866	0.2
66.00958	0.8
71.40315	0.1
78.00988	0.3
78.95932	0.2
80.02573	0.2
82.04115	1.2
89.83530	0.1
90.00962	0.2
99.69431	0.1
107.03651	3.9
108.02053	10.2
109.02375	0.2
112.98817	0.2
114.05613	0.7
124.25238	0.1
125.00091	1.3
126.03112	4.7
130.08759	1.8
131.25566	0.1
133.01579	30.6
134.01942	0.5
150.04231	100.0
151.02728	0.2
151.04681	1.6
164.05807	0.1
165.22232	0.1
175.23766	0.1
268.03726	0.6
282.08459	27.1
283.02231	0.4
283.08789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1268
Annotation	Metolachlor
Peak:m/z	Relative Intensity
58.02979	3.5
63.02427	0.8
65.00346	1.6
65.04772	0.8
68.70493	0.7
70.46007	1.3
79.95741	3.8
96.95989	0.9
101.06123	0.9
107.01409	1.3
111.00092	5.7
117.03458	5.3
119.38546	0.7
122.03783	4.4
135.00900	1.7
136.98863	0.7
140.39435	0.7
142.08749	26.6
163.00412	4.0
164.98337	1.5
165.01108	3.5
165.98985	0.7
179.02596	1.1
181.47453	0.8
182.03751	1.0
183.04527	2.3
185.02478	1.0
185.99893	2.8
210.03366	0.9
211.04070	1.6
220.87418	0.9
223.08971	100.0
224.04877	8.0
224.09270	4.6
227.03546	1.2
254.13095	2.6
255.03009	8.5
268.03760	3.6
282.12646	81.9
283.02457	14.5
283.05463	25.1
283.13327	4.2
283.55396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99541	0.2
65.00323	3.0
68.99820	16.1
69.88144	0.3
69.88530	0.2
79.01897	0.2
79.95728	0.3
82.00593	0.5
92.99823	0.3
96.99311	0.3
98.21978	0.2
104.82035	0.1
107.01392	0.2
110.00105	3.1
115.05540	0.5
117.03471	11.2
118.03833	0.2
119.05035	2.7
120.99263	0.1
122.45479	0.1
131.05043	0.2
133.02991	1.6
135.00914	0.2
136.98819	2.1
137.02478	0.2
137.99651	0.7
141.03497	0.8
143.05043	3.9
145.02963	11.6
146.03267	0.4
154.04213	0.4
155.05054	1.1
158.03844	0.2
159.04539	0.7
161.02490	0.3
163.00383	1.1
164.98282	1.1
165.99091	1.5
167.05026	0.4
169.02948	5.9
170.03264	0.2
171.04439	0.2
178.99863	0.4
182.03729	0.4
183.04527	1.1
185.02480	1.2
186.03175	0.3
187.04010	100.0
188.04355	4.1
210.03235	0.4
211.04005	28.6
212.04359	1.6
212.87785	0.1
214.02626	0.2
227.03671	0.3
228.12143	0.1
232.21465	0.1
239.03548	0.3
245.32076	0.2
255.03029	1.3
267.03052	0.3
268.03796	4.1
269.04230	0.2
283.02496	44.4
283.26434	0.2
284.03128	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	283.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19324	0.5
59.01363	0.5
63.02396	3.4
63.87352	0.4
65.00332	18.0
67.01901	1.3
67.66449	0.4
68.99828	1.2
69.06498	0.4
69.53874	1.8
79.01917	1.0
91.01905	4.8
92.99828	2.8
93.03479	0.7
95.01391	1.4
96.99345	1.9
107.01403	1.9
108.99300	1.4
110.00105	1.4
116.01385	0.5
117.03476	47.6
118.03786	1.1
119.01403	0.9
119.05020	2.1
120.99337	1.5
135.00902	15.3
136.98822	11.5
137.43471	0.5
141.03461	0.6
143.05037	2.4
145.03024	0.7
155.05054	1.2
159.04512	4.4
161.02490	5.4
163.00389	22.3
164.98315	9.5
165.99066	1.1
167.05013	1.5
169.02992	1.7
171.04536	1.5
182.03749	1.6
183.04515	12.9
185.02400	3.6
187.04047	4.8
188.91002	1.3
194.44414	0.6
195.04478	0.8
199.04012	1.3
210.03250	0.8
211.04028	4.1
227.03508	8.2
255.03001	34.9
256.03339	1.6
268.03781	4.9
283.02505	100.0
283.05701	3.2
283.26422	3.6
284.02939	7.6
284.05566	0.4
293.98322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89250	0.5
57.50293	0.5
58.58696	0.5
63.02396	2.1
65.00330	17.8
67.01907	1.1
69.23875	2.7
69.30630	0.5
71.96099	0.5
72.37531	0.5
91.01915	3.6
92.99820	1.8
95.01400	1.6
96.96007	0.8
96.99345	2.7
107.01408	2.2
108.99284	0.7
110.00121	0.7
117.03477	44.4
118.03823	1.0
119.01389	1.0
119.05098	1.2
120.99335	1.4
135.00887	14.8
136.98817	12.5
141.03529	0.6
143.05029	1.7
155.05070	1.4
159.04533	3.8
161.02477	5.1
163.00388	23.7
164.98306	8.8
165.99107	1.1
167.05040	1.7
169.02937	0.9
171.04552	1.1
182.03717	2.5
183.04526	13.3
184.04857	0.9
185.02469	4.0
187.04051	5.0
189.88774	0.5
195.04582	1.2
199.03934	0.6
211.03990	4.6
212.04623	0.7
227.03514	7.1
228.03957	0.6
239.03517	1.6
240.04243	1.1
255.03014	35.6
256.03366	1.6
268.03760	5.1
283.02515	100.0
283.05771	4.3
283.26572	2.2
284.02917	6.1
284.05887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.5
63.02411	1.9
64.02088	0.4
65.00333	19.8
66.22485	0.5
67.01891	1.5
68.99827	4.6
69.60323	1.1
69.60713	1.0
78.95902	0.9
81.59553	0.5
83.80643	0.5
91.01911	3.7
92.99839	2.1
93.03475	0.6
95.01411	1.1
96.99315	1.6
98.21961	1.0
107.01384	1.4
108.99361	1.0
110.00101	0.7
110.40775	0.5
115.39902	0.5
117.03483	43.8
118.03809	1.4
119.01372	0.8
119.05033	4.2
120.99327	1.4
122.02509	0.6
135.00905	12.1
136.00360	0.6
136.04037	1.1
136.98816	13.0
137.02448	0.5
141.03523	0.9
143.05009	3.2
145.02979	3.4
155.05066	1.6
159.04558	4.9
161.02449	5.5
163.00391	20.4
163.99776	0.6
164.03545	1.1
164.98296	7.7
165.99158	1.2
166.01520	0.6
167.05058	1.3
169.02919	3.2
171.04536	1.4
182.03761	0.9
183.04517	11.2
184.05008	0.8
185.02390	2.8
187.04022	27.7
188.04398	1.4
199.04031	1.1
209.11819	3.1
210.03162	0.7
211.04045	10.2
212.04391	0.8
215.05898	0.5
223.21936	0.5
226.02689	0.7
227.03525	7.9
231.53847	0.4
233.68425	0.5
239.03601	1.0
242.04662	0.6
255.03008	39.8
256.03345	2.0
266.20309	0.5
268.03793	6.2
283.02515	100.0
283.26413	3.9
284.02850	6.5
284.05692	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	283.029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62766	0.3
52.37311	0.2
59.01384	100.0
60.01725	0.6
61.98841	1.0
65.00328	0.7
69.34080	0.6
69.34489	0.7
69.63325	0.3
71.01380	3.1
71.01740	0.3
72.68401	0.2
72.99303	0.4
73.02962	0.7
75.00891	0.5
78.95911	14.1
83.01403	0.4
84.86580	0.3
85.02970	1.0
89.02445	3.1
94.88866	0.3
95.01389	0.4
99.00909	0.3
101.02460	3.2
101.52142	0.2
102.98615	0.6
110.00122	0.6
113.02464	1.3
113.04633	0.5
115.02521	0.4
118.94201	0.3
118.96976	0.4
119.03527	1.3
121.05083	1.4
121.06592	0.2
123.04531	0.3
127.05145	0.4
127.95570	0.3
141.01665	0.5
145.06215	1.0
151.11298	0.3
157.03596	4.9
158.03807	0.4
159.01527	2.0
161.04568	1.0
163.00418	0.5
179.05673	0.6
181.07237	0.3
200.95567	8.8
201.02570	76.7
202.02740	5.0
207.05083	0.8
245.28450	0.3
255.03085	0.3
266.57355	0.2
268.03745	1.1
282.95871	0.5
283.02655	0.4
283.07895	0.3
283.10614	1.8
283.26370	1.4
284.03299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.55735	2.8
87.00896	0.9
98.22609	1.2
99.99014	0.8
110.00134	2.8
115.02553	0.8
128.14967	0.7
130.08751	28.7
139.05606	0.8
141.00488	2.8
141.99976	8.9
144.15439	0.7
157.03583	8.6
159.01558	1.9
163.00400	6.5
165.99121	1.3
183.01540	1.5
184.01096	3.1
184.05370	1.4
198.03360	0.8
201.02563	83.6
202.02759	5.7
232.96779	0.8
239.03545	0.9
267.03128	1.2
268.03790	43.1
269.04150	2.2
283.01797	1.5
283.06018	12.0
283.16556	3.0
283.26508	5.6
284.01248	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	283.029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.20715	1.1
61.98838	29.3
65.09776	1.1
65.32894	1.0
66.29086	1.0
70.55214	1.9
76.03452	1.1
93.43172	1.1
95.55282	1.1
110.00112	3.8
110.92607	1.8
112.92321	9.5
117.00507	1.3
123.80147	1.2
137.02432	1.2
137.94539	1.1
138.92073	2.7
138.94606	2.1
138.96443	1.7
139.94241	13.0
140.91829	13.1
140.94339	7.0
141.00450	1.7
141.99980	18.3
150.74147	1.1
152.93620	1.9
154.93388	9.0
157.03581	6.6
159.01518	3.1
162.77441	1.2
163.00398	7.3
165.99092	2.5
180.95702	1.8
181.95290	6.9
182.93002	1.3
182.95424	3.1
184.01050	5.4
184.05360	1.4
201.02574	93.4
202.02661	5.2
211.04120	1.2
253.75465	1.3
268.00867	2.4
268.03784	46.3
269.04092	2.1
282.92896	1.8
282.95648	5.2
283.02844	2.5
283.06052	14.6
283.26440	42.5
283.95255	2.3
284.01135	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	283.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
58.99606	25.3
59.01385	11.5
65.00330	26.8
68.99827	1.5
69.38393	3.6
71.01390	13.1
71.44586	0.8
73.02959	2.7
82.00652	0.9
83.01414	1.6
85.02958	5.1
87.00889	11.8
89.02448	6.2
95.01389	1.6
96.91773	0.8
96.99326	1.9
99.00918	1.1
101.02451	7.0
102.98607	100.0
107.01384	2.1
108.99340	1.6
110.00103	3.7
111.00891	6.5
113.02425	4.6
117.03493	10.0
119.01353	1.0
119.03526	1.8
119.05044	1.5
132.04924	0.8
135.00887	4.7
136.98813	23.8
138.71239	0.9
139.05531	0.8
143.05037	1.8
155.05049	1.9
159.03000	0.8
159.04518	2.2
160.89023	0.8
161.02460	1.0
161.04596	6.2
163.00415	7.5
164.98311	5.8
165.99100	3.5
171.04524	4.9
178.99883	2.9
182.03751	1.2
183.04547	5.5
184.05341	1.3
185.02449	3.8
199.04068	1.4
211.04056	3.6
211.07558	1.2
212.04781	0.9
225.54181	0.9
227.03534	2.2
239.03574	1.3
249.06209	5.2
255.02994	27.1
256.03351	0.9
267.03055	1.6
268.03790	29.9
269.03989	1.0
283.02463	43.8
283.05743	22.2
283.11829	1.6
283.26456	2.9
284.03058	4.2
284.06104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08306	0.2
58.93130	0.2
65.00329	3.8
68.99823	0.3
70.05270	0.3
70.05595	0.4
79.54723	0.2
82.00605	0.8
86.02526	0.2
94.00603	0.5
95.01395	0.7
96.99310	0.4
98.21858	0.3
109.02958	0.3
110.00102	7.4
115.05542	0.5
117.03480	1.8
119.01388	1.4
120.99349	0.5
122.00114	0.4
135.00978	1.1
136.98808	2.8
137.02469	1.0
137.99638	1.8
139.05499	1.4
141.03465	0.3
143.05009	0.3
148.98720	0.4
156.05879	0.3
163.00391	15.6
164.00783	0.3
164.98296	2.5
165.99095	5.6
167.05016	0.6
171.04544	1.9
172.05322	0.6
178.04251	0.4
182.03777	0.3
183.04530	1.7
184.05287	4.0
185.02470	1.9
190.99808	0.3
195.04521	1.4
196.05286	2.6
198.03224	2.5
211.03999	2.2
212.04779	1.4
215.97215	0.2
223.03978	0.7
224.04826	1.7
239.03493	3.6
240.04277	1.8
255.03065	2.4
267.03012	2.7
268.03784	100.0
269.04135	5.1
283.02570	5.4
283.06134	23.9
284.03513	0.4
284.06424	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	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05192	0.1
51.30215	0.1
58.52701	0.1
65.00328	0.7
66.01134	0.1
68.99828	0.3
69.03810	0.6
69.04195	0.2
82.00587	0.7
85.30327	0.1
92.99819	0.2
94.00628	0.5
95.01394	0.5
98.21811	0.2
109.02961	0.3
110.00101	6.4
111.00426	0.1
115.05538	0.3
119.01397	1.4
120.99280	0.2
122.00080	0.3
128.36417	0.1
135.00891	1.2
136.98819	0.1
137.02446	1.1
137.99611	1.7
139.05559	1.6
148.98810	0.3
149.99493	0.1
154.04398	0.1
156.05798	0.1
163.00388	14.1
164.00728	0.3
165.99092	4.6
167.05064	0.5
167.86569	0.1
169.02989	0.1
171.04518	1.1
172.05260	0.4
178.04294	0.2
180.05881	0.2
182.03732	0.2
183.04521	0.4
184.05321	3.4
185.05655	0.1
190.99977	0.2
195.04532	0.9
196.05334	2.0
198.03233	2.4
211.04013	1.6
212.04767	1.0
213.05441	0.1
223.04033	0.7
224.04805	1.3
239.03516	3.1
240.04295	1.5
250.02745	0.1
266.02161	0.1
267.00107	0.1
267.03012	2.6
268.03790	100.0
269.01889	0.1
269.04120	5.1
283.06137	28.5
284.06494	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	283.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13330	0.2
65.00021	0.4
65.00329	4.0
68.99824	0.4
76.81611	0.3
82.00618	0.9
91.40619	0.2
92.99819	0.6
95.01396	0.7
96.99330	0.6
109.99384	0.5
110.00104	6.3
110.00862	0.3
115.05549	0.3
117.03533	1.2
119.01402	1.4
120.99326	0.3
135.00876	1.2
136.98808	2.9
137.99602	1.7
139.05571	1.5
154.91112	0.3
163.00386	15.7
164.00740	0.4
164.98296	3.4
165.97813	0.4
165.99094	5.1
167.05020	0.6
171.04552	1.1
172.05318	0.5
178.04231	0.3
180.05875	0.3
181.78706	0.2
182.03729	0.5
183.04498	1.2
184.05312	3.6
185.02516	1.2
195.04546	1.2
196.05304	2.2
198.03270	2.3
211.04007	2.3
212.04776	1.0
223.03990	0.8
224.04807	2.6
239.03487	2.9
239.07146	0.5
240.04216	1.3
255.02992	1.1
267.03024	2.2
268.03781	100.0
269.04092	5.4
283.02527	7.2
283.06128	16.6
284.03003	0.7
284.06430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0615
Annotation	Wogonin
Peak:m/z	Relative Intensity
59.95948	0.1
65.00415	1.7
66.01184	0.2
68.99886	0.2
69.30811	0.9
77.18098	0.1
82.00722	0.7
92.99933	0.2
94.00697	0.4
95.01502	0.6
96.92902	0.2
98.21921	0.3
109.03017	0.2
110.00103	6.2
111.00459	0.2
115.05652	0.2
117.03586	0.4
119.01389	1.3
120.99423	0.4
122.00179	0.4
124.19709	0.2
135.00856	1.1
136.98819	1.2
137.02441	0.8
137.99646	1.4
139.05544	1.3
143.05060	0.2
146.82188	0.1
148.98935	0.2
155.05281	0.2
163.00391	15.8
164.00829	0.5
164.98334	0.7
165.99095	5.2
167.05142	0.6
171.04514	1.3
172.05190	0.2
173.53416	0.1
178.04298	0.3
182.03847	0.4
183.04546	0.7
184.05321	3.8
184.06871	0.2
185.02550	0.5
190.99977	0.3
195.04512	0.8
196.05319	2.2
198.03227	2.6
198.04880	0.2
199.03741	0.3
211.03995	2.1
212.04823	1.2
223.04051	0.6
224.04799	1.7
239.03508	3.3
240.04309	1.5
241.04738	0.2
255.03012	0.6
267.03015	2.6
268.03778	100.0
269.04111	7.0
283.02621	2.9
283.06110	31.5
284.03189	1.4
284.06439	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	283.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00081	0.8
65.00449	2.4
71.41756	0.4
82.00298	0.5
82.00744	1.0
82.30750	0.4
92.99943	0.5
95.11334	0.4
110.00256	9.0
115.05714	0.4
117.03570	0.4
119.01482	0.5
120.99527	0.5
135.00998	0.6
136.98814	2.1
137.99681	2.0
139.05690	1.4
149.11594	0.4
163.00400	6.5
163.01649	0.6
164.98311	2.1
165.99091	8.8
167.05177	0.4
171.04662	0.4
183.04602	1.2
184.05315	4.5
185.02553	0.6
195.04568	1.1
196.05423	1.3
198.03333	1.7
211.04021	2.7
212.04912	1.4
223.04131	1.2
224.04854	1.2
239.03546	3.8
240.04214	1.8
255.02992	1.1
267.03058	3.6
268.03787	100.0
269.04123	5.1
283.02615	4.4
283.06110	35.2
284.06467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.2
60.66430	0.2
65.00317	0.3
65.96458	0.2
69.07381	1.4
73.58219	0.3
79.95686	1.3
86.49407	0.2
98.37801	0.2
104.56796	0.2
117.03471	0.6
121.98467	0.2
136.98845	0.4
150.11711	0.2
153.71588	0.2
163.00380	0.6
170.00334	0.3
183.01210	5.1
184.01938	1.6
194.11171	0.2
197.02794	42.4
198.03560	11.9
199.03975	0.3
211.04381	1.2
212.05089	0.8
216.00980	0.2
230.02541	2.4
244.04047	0.2
253.09120	0.3
255.03024	2.0
256.03314	0.4
268.03745	1.4
283.02493	1.6
283.13760	100.0
284.03259	0.6
284.14063	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	283.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05923	0.2
56.58288	0.2
62.03694	0.2
70.35352	0.4
79.95684	1.0
88.13304	0.2
91.73212	0.2
97.46861	0.2
116.29276	0.2
121.87328	0.2
128.29684	0.2
177.77684	0.2
182.38089	0.2
183.01230	6.3
183.93044	0.2
184.02026	1.7
197.02788	33.4
198.03571	14.2
199.03963	0.5
202.67465	0.2
211.04347	0.7
212.04869	0.3
230.02534	2.6
283.13757	100.0
284.14075	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	283.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12989	0.2
52.44694	0.2
61.47020	0.3
65.00320	0.3
65.24489	0.2
69.28817	0.7
69.29213	0.4
79.95728	1.5
91.40186	0.3
119.05020	0.4
136.98804	0.4
183.01221	18.8
184.02017	5.4
197.02794	26.9
198.03563	11.2
199.04001	0.3
216.00941	0.4
219.17667	0.3
230.02600	2.4
255.02934	1.9
268.03809	0.8
283.02493	1.1
283.13760	100.0
284.03214	0.5
284.14063	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	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01361	0.3
63.02430	0.3
63.39647	0.2
65.00316	0.7
70.81691	0.2
75.38678	0.2
77.69742	0.2
80.52030	0.2
106.04238	0.6
106.59360	0.2
107.05038	100.0
108.05385	2.0
117.03480	0.6
123.04511	0.4
124.92780	0.2
136.98807	0.5
147.08171	0.4
163.00414	0.6
163.11299	97.9
164.11635	3.3
182.36935	0.3
183.04407	0.4
192.23660	0.3
255.03009	4.9
256.03363	0.4
268.03763	3.4
283.02533	3.1
283.06180	1.3
283.17047	80.6
283.26422	2.3
284.03110	0.7
284.17395	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	284.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66871	0.4
53.71975	0.4
59.01381	2.8
60.32268	0.5
61.98833	3.0
68.64787	0.5
70.80469	0.5
90.08879	0.4
99.98930	4.2
139.94241	1.7
140.02106	1.4
140.91759	0.4
141.87898	0.8
141.93965	1.6
141.99982	100.0
143.00072	5.1
181.95320	0.6
184.01030	31.4
185.01283	1.2
191.37726	0.5
199.99078	0.7
202.02745	1.9
203.02379	0.7
210.81676	0.5
240.02083	0.5
242.00121	1.9
273.94495	0.5
283.26410	2.7
284.01154	35.9
284.26730	1.4
285.01276	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	284.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80105	0.1
63.02422	0.1
65.00330	38.2
66.00652	0.6
66.91547	0.1
68.80407	0.1
68.99818	0.7
69.11292	0.7
73.47395	0.1
79.72942	0.1
82.00643	0.4
91.01898	0.1
94.00640	0.4
94.56713	0.1
95.01420	0.5
96.99351	0.3
98.42632	0.1
103.46359	0.1
105.03544	0.1
106.00639	0.1
107.01398	0.2
108.02188	2.2
108.99323	1.7
110.00112	1.8
111.00883	0.3
116.02670	0.7
117.03471	5.0
118.03851	0.5
119.01398	1.1
119.05018	1.0
120.99338	0.1
121.03008	0.1
122.00147	0.5
123.00918	0.3
130.04257	1.2
131.05057	0.2
132.02182	0.7
132.04970	0.1
132.05836	0.5
133.02974	1.4
135.00908	0.6
136.01697	0.7
136.53635	0.1
136.98817	29.1
137.99217	0.5
139.00394	1.2
141.03506	0.5
143.05055	0.7
144.05783	0.1
145.02983	0.4
148.33174	0.1
149.02461	0.2
149.99603	1.9
151.00375	0.5
155.05040	1.3
156.05843	1.8
157.03041	0.2
158.03754	2.1
159.04533	0.8
160.05188	0.2
163.00388	1.8
164.01161	3.0
164.98299	1.0
165.99092	1.5
166.99884	1.1
167.05013	0.5
169.02988	0.3
171.04462	0.7
172.05321	0.7
172.07617	0.1
175.04012	0.3
177.99129	0.2
182.03732	0.5
183.04524	6.3
184.05293	2.8
185.02457	2.8
186.03232	5.1
186.04948	0.1
187.03969	1.1
188.04709	0.2
190.99960	0.7
195.04625	0.2
197.02460	0.2
199.04034	2.8
200.04794	4.6
201.05183	0.3
210.03276	0.2
211.04019	4.7
211.06065	0.3
212.04800	6.8
213.01959	0.6
213.05301	0.5
214.02722	1.3
214.04617	0.2
215.03447	0.3
216.04259	0.5
217.05019	0.1
227.03520	6.8
228.04256	3.9
229.04555	0.2
237.01904	0.2
238.02753	0.3
239.03522	1.1
240.04265	0.6
241.04741	0.1
243.02681	0.1
255.02982	2.4
256.03668	2.5
260.03268	0.1
266.02362	0.3
267.02991	0.4
268.03592	0.1
269.04022	0.2
273.08640	0.1
280.62225	0.1
283.02512	6.5
284.03271	100.0
285.03845	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	284.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
61.92156	0.3
63.02394	0.4
65.00331	24.7
66.00671	0.7
66.01072	0.3
68.66544	0.3
68.99816	0.4
79.95718	0.4
82.00606	1.8
84.72617	0.3
92.62589	0.3
92.99806	0.4
94.00599	0.4
95.01401	1.2
96.99342	0.7
107.01411	1.1
108.02186	1.1
108.99344	1.4
110.00111	11.8
111.00942	0.6
117.03477	5.6
118.03812	1.5
119.01376	0.8
119.05029	3.3
120.99356	0.3
122.00130	0.6
123.00953	0.5
130.04265	1.0
130.64882	0.3
131.05023	0.6
132.02153	0.3
132.05800	0.4
133.02959	4.5
135.00902	2.2
136.98828	17.8
137.02463	0.5
137.99675	2.3
139.00436	1.0
141.03545	0.5
143.05038	0.5
144.19702	0.3
145.02928	0.6
149.02408	0.6
149.99599	1.2
151.00407	1.8
155.04990	1.9
156.05811	1.3
158.03748	1.2
159.04491	0.8
163.00383	9.3
164.01135	2.6
164.98299	3.0
165.99097	8.8
166.99825	0.4
167.05054	0.5
168.05484	0.3
169.02997	0.5
171.04517	0.5
172.05162	0.4
175.04051	1.2
182.03743	0.5
183.04518	4.5
184.05255	2.2
185.02455	1.7
186.03203	3.0
187.03972	1.3
188.04326	0.4
190.99908	0.6
194.03951	0.3
195.04581	0.5
197.02469	0.4
199.04024	2.8
200.04787	3.3
211.04012	3.9
212.04807	4.3
213.01944	0.6
213.05487	0.7
214.02702	1.1
227.03551	5.5
228.04208	3.0
228.94118	0.3
239.03439	1.6
240.04192	1.2
243.03033	0.4
255.02988	3.1
256.03577	4.6
257.04361	0.5
267.02808	0.5
268.03641	0.3
269.04153	2.8
270.05353	5.5
283.02481	5.3
283.26462	1.4
284.03268	100.0
285.03998	29.7
285.07645	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	284.0569
Annotation	Marcanine D
Peak:m/z	Relative Intensity
51.51170	0.2
56.68356	0.2
58.02971	0.7
65.00323	2.5
66.00679	0.3
68.99824	0.3
70.69194	0.3
80.01405	0.3
92.78652	0.2
93.03478	1.5
93.04723	0.2
94.02994	0.8
95.01401	0.7
96.00922	1.2
96.99306	0.3
98.02490	0.6
108.00864	0.3
110.02482	0.4
117.03474	20.9
117.45745	0.2
118.03018	0.4
118.03799	2.4
119.05042	12.9
120.00972	0.3
120.05377	0.4
120.99343	0.2
121.03041	0.2
122.02479	2.5
124.00369	0.7
130.08752	8.3
133.03020	0.4
135.00842	0.4
136.00398	3.2
136.01262	0.4
136.04047	5.2
136.98808	1.2
137.02487	0.5
137.99136	0.3
138.01991	2.8
143.05046	0.5
146.02478	0.5
148.01704	0.2
154.08740	1.1
157.06691	0.3
159.04530	1.0
161.02376	0.3
162.01988	0.5
163.00381	0.9
163.99712	1.4
164.03555	4.9
164.98326	1.3
165.00722	0.3
165.98940	0.4
166.01480	5.2
169.06644	0.2
171.04582	0.6
183.01234	0.4
183.04510	0.3
184.04887	0.6
185.06097	0.7
187.04045	0.8
190.01411	0.4
191.02364	0.3
195.04541	0.6
198.05608	0.4
199.18175	7.4
210.05486	0.3
211.04008	0.6
213.05556	1.0
214.05025	0.5
216.06668	0.5
227.03621	0.3
228.03960	0.3
238.05150	0.3
239.03503	0.9
239.05751	0.3
240.04378	0.3
240.06680	0.8
241.05035	0.4
241.19267	0.9
242.04623	1.6
255.03056	0.4
256.03360	2.8
256.06152	0.7
257.00900	0.4
266.04636	0.5
267.02972	0.4
268.03827	2.0
283.04794	0.4
283.26422	0.6
284.02948	7.2
284.05667	100.0
285.03781	2.9
285.06546	4.9
285.18216	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	284.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01889	2.4
52.57631	2.2
57.07734	2.1
58.30726	2.0
59.01378	8.7
60.04817	2.3
65.00330	15.4
71.41357	2.3
72.04546	25.7
81.50155	2.3
82.02991	67.2
83.03336	2.1
86.34366	1.9
92.99913	2.3
94.45733	1.9
96.99335	2.1
98.02483	35.8
100.04066	19.3
106.59478	2.7
110.06161	3.0
114.05648	4.0
119.05044	23.0
121.46617	2.2
122.06149	5.2
133.02919	4.0
136.98802	13.5
139.07658	11.2
156.10312	50.0
163.00308	2.7
164.98300	25.9
165.99036	2.6
168.13977	8.4
175.03928	2.6
178.12346	2.4
181.02405	2.0
187.04080	2.3
194.11893	5.2
196.13422	5.3
212.05086	2.4
222.11343	30.9
238.10812	11.2
239.03577	2.3
240.12419	31.0
255.02811	2.5
269.04114	9.5
283.26492	8.2
284.03101	5.2
284.06342	5.1
284.11423	100.0
284.26886	12.3
285.04083	27.2
285.12006	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	284.1256
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
58.02972	2.1
59.01370	1.5
62.58278	0.9
63.38343	1.0
63.40286	0.8
66.03494	1.3
70.85823	1.4
78.95914	1.4
82.02986	2.6
83.06160	13.9
84.04555	3.9
85.04083	1.3
96.04535	1.4
97.88661	0.9
101.07185	2.0
102.98707	0.9
109.04078	3.5
111.05618	2.8
113.07226	71.1
114.05634	4.2
114.07557	1.6
126.01971	1.9
127.05156	21.5
128.03546	3.7
128.05469	1.0
138.05577	1.6
139.08794	5.5
141.99986	1.4
142.42546	0.7
145.06232	8.4
151.02623	3.7
152.02956	3.1
152.08388	1.8
153.10414	1.8
155.08199	0.9
156.06651	1.9
180.11446	100.0
181.09833	2.5
181.11720	3.2
198.12502	91.7
199.12817	3.3
206.09314	2.7
224.10466	17.4
240.13536	3.6
242.11464	6.9
266.11487	51.1
267.09711	2.0
267.12164	1.4
269.04169	1.9
273.63776	0.9
283.26489	1.6
284.12561	98.9
284.26974	1.8
285.12823	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	285.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	58.2
66.00674	1.4
67.01884	1.2
68.16010	0.9
68.99808	2.3
72.04572	0.9
82.00615	1.2
83.01393	3.1
92.99831	7.3
93.03469	1.1
95.01426	1.6
96.00953	1.1
96.04546	2.2
96.99323	12.5
98.02489	11.2
98.21800	1.6
99.65987	0.8
108.99331	2.5
109.03033	0.9
110.00114	6.3
110.02483	1.9
111.00893	52.4
113.03947	0.9
117.03472	3.1
119.05040	73.0
120.05361	2.5
120.99336	5.0
136.98819	37.3
138.01955	2.4
139.00391	76.4
139.02705	7.4
140.03557	54.5
141.03456	4.1
143.05046	2.9
145.02979	1.3
147.04524	0.9
151.00348	1.0
164.98309	100.0
165.99072	10.4
166.01393	1.6
166.99754	0.9
169.02992	1.8
171.04573	1.0
185.02435	1.7
187.04002	2.1
188.04660	1.1
189.05540	1.0
197.06081	1.5
199.04044	1.1
211.04042	1.1
213.05455	1.3
215.03535	2.4
216.45619	0.9
229.60522	0.9
239.03513	2.3
241.08989	1.0
257.04608	5.8
258.04965	0.8
267.02972	3.0
285.00568	4.9
285.04041	60.7
286.04297	5.2
286.07217	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	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03017	0.6
58.43976	0.6
58.95623	0.6
65.00332	5.1
65.14396	0.6
67.01900	1.2
68.99824	1.3
70.05701	2.0
70.06039	0.8
76.53107	0.8
79.01904	0.9
82.00587	0.7
83.01373	2.5
91.36233	0.7
93.03481	1.7
95.01379	4.7
96.99332	1.2
99.00892	1.4
107.01393	1.7
110.00093	4.5
111.00888	27.8
117.03458	5.5
119.05033	22.3
120.05275	0.6
123.00884	6.0
125.02430	2.5
133.02957	2.2
136.98828	3.6
137.02444	2.6
137.99612	1.4
139.00377	30.4
141.03362	0.8
143.05038	2.6
145.06564	1.1
151.00377	3.1
155.05025	0.8
157.06604	1.3
161.02473	4.2
161.06131	0.8
164.98309	2.0
165.01895	1.6
165.99159	3.7
166.99884	11.8
167.05038	2.5
169.02980	1.0
169.06563	1.9
171.04546	3.1
173.06018	1.1
179.00018	0.7
183.04474	0.9
185.02477	0.7
185.06093	3.9
190.99910	1.1
192.00671	0.6
195.04509	2.4
198.04976	0.6
199.04044	2.7
211.03989	2.3
213.05632	2.1
217.05040	2.6
223.03998	3.9
225.01945	1.5
239.03542	2.1
243.03004	2.3
243.49947	0.7
267.03003	2.0
270.05136	2.5
285.04068	100.0
286.04419	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	285.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82787	0.3
62.82370	0.3
63.02394	0.9
65.00333	4.0
69.10947	1.7
83.01409	1.9
84.35251	0.3
90.89689	0.4
93.03475	0.6
96.99300	0.3
105.03461	0.8
107.01406	5.1
110.00069	0.3
111.00901	0.4
112.31400	0.3
117.03490	1.1
119.05055	1.4
121.02954	1.0
123.00954	0.4
132.02202	0.4
133.02971	26.1
134.03288	0.9
136.11368	0.3
136.98819	0.9
137.02512	0.5
139.00371	0.5
143.05046	0.5
149.02477	2.9
151.00378	8.2
157.06616	0.3
164.98280	1.5
165.99060	0.4
169.06587	0.4
171.04562	0.9
175.04041	5.9
176.04323	0.3
178.79317	0.3
184.58377	0.3
185.06134	0.8
187.04088	0.5
189.05629	0.4
195.04552	0.3
197.06085	0.8
198.03293	0.7
199.04021	3.2
201.01945	1.8
204.41974	0.3
213.05609	0.9
215.03613	0.7
217.05084	2.7
223.04018	0.5
229.05026	0.7
239.03439	0.6
241.05118	1.6
243.03008	1.2
257.04559	0.7
257.84961	0.3
258.82669	0.3
267.03052	0.4
269.94617	0.3
269.98337	0.3
285.04080	100.0
286.04407	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06647	0.6
61.97993	0.6
65.00330	21.6
68.99824	5.4
69.31579	1.5
69.31975	2.3
84.99348	1.0
87.06513	0.7
101.03975	2.3
107.99836	0.7
108.99313	1.3
111.00896	2.9
112.98824	5.8
117.03497	0.9
136.98817	28.4
139.00392	2.8
139.05548	2.2
141.07051	0.7
143.05029	3.3
167.05019	2.0
169.06572	3.3
171.04539	30.4
172.04829	1.4
183.04468	0.8
211.04036	2.5
213.05629	3.1
239.03520	50.4
240.03864	2.8
241.05089	13.2
242.05592	0.8
267.03015	100.0
268.03378	5.2
285.04105	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	285.0406
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
50.06269	1.1
54.97259	1.3
65.00329	100.0
66.00665	2.0
68.99828	1.9
92.99844	4.1
93.35639	1.2
96.99310	7.3
108.99303	3.9
110.00124	7.1
110.00797	1.2
111.00883	5.9
117.03477	2.2
119.05031	65.6
120.05367	2.1
120.99328	2.2
134.76556	1.2
136.98817	73.7
137.99107	2.0
139.00378	4.7
143.05019	1.9
151.00316	1.5
164.98305	74.0
165.99103	12.7
171.04503	1.5
173.06149	1.8
180.97801	8.3
185.06094	3.8
187.04010	7.5
195.04536	1.5
197.06158	2.6
199.04059	4.0
213.05634	3.3
241.05081	26.1
242.05197	1.5
257.04544	11.5
258.05103	1.3
261.20776	1.1
285.04053	68.5
286.04388	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	285.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50844	0.3
51.51369	0.3
63.02391	0.3
65.00331	7.7
67.01896	1.2
68.99827	0.8
69.12520	1.1
69.12927	0.9
74.15403	0.3
75.40314	0.3
83.01394	1.3
92.99809	0.5
93.03462	0.8
94.92735	0.3
95.01395	4.5
96.99297	0.9
97.02927	0.4
98.22613	0.7
99.00882	0.6
107.01377	1.0
108.02217	0.3
108.99321	0.5
110.00105	1.1
111.00892	24.5
112.01202	0.6
117.03474	1.7
117.77434	0.3
119.05038	20.7
120.05346	0.9
120.99310	0.5
123.00896	4.5
125.01669	0.3
125.02457	2.0
127.04340	0.3
133.02942	1.5
135.00876	0.6
136.98811	5.4
137.02470	1.4
139.00389	30.7
140.00734	0.6
141.03456	1.7
143.05060	2.2
145.06587	0.6
151.00378	5.0
157.06581	0.6
161.02438	1.7
163.00398	0.6
164.98303	5.3
165.01953	1.4
165.99103	1.3
166.98466	0.4
166.99875	8.2
167.05029	1.2
169.02953	1.2
169.06595	2.6
171.04527	2.6
173.06096	1.2
178.99881	1.4
179.05025	0.6
180.97795	1.2
183.04492	0.4
185.02544	0.8
185.06058	2.0
190.99869	0.9
192.00711	1.6
195.04611	1.7
197.02524	0.4
197.06035	0.7
198.03265	0.4
199.03996	1.4
211.03967	0.8
213.01941	0.5
213.05550	2.0
215.03548	0.5
215.90152	0.3
217.05035	1.2
219.05046	0.3
223.04047	3.5
225.01904	1.4
229.04961	0.3
239.03482	2.5
241.05112	1.4
242.02219	1.0
243.02919	0.9
257.04428	1.1
267.02899	1.5
285.04053	100.0
286.04382	7.0
286.07208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33233	0.2
65.00329	2.7
65.03964	0.4
67.01898	0.7
68.99823	0.4
93.03468	3.3
95.01387	1.7
96.99318	0.6
98.22787	0.5
100.04867	0.2
103.35682	0.2
109.02927	0.3
110.00105	1.0
111.00898	1.7
117.03478	18.8
118.03809	0.8
119.01350	0.5
119.05035	6.9
123.00906	1.3
124.98818	0.6
129.09248	0.2
135.00848	0.3
136.01645	0.4
136.98819	3.5
137.02463	8.4
139.00388	6.9
143.05028	0.8
145.02971	0.9
145.06606	0.3
147.00912	0.4
157.06664	0.7
159.04532	1.3
161.05980	0.3
163.00388	0.8
164.98317	2.2
165.01945	4.4
165.99072	1.2
166.99870	4.1
167.05069	1.4
169.06653	0.6
171.04543	1.1
173.06068	0.5
177.99161	0.3
183.04510	1.0
184.05348	0.3
185.06073	2.8
187.04041	0.9
189.05576	0.3
190.99858	0.4
192.00687	1.3
195.04518	1.8
196.05232	0.4
197.02489	0.4
198.03342	0.2
199.04080	1.0
201.05611	0.4
211.04063	2.0
212.04411	0.3
213.05598	2.6
215.03606	0.5
223.04024	1.1
225.01877	0.5
229.05147	1.0
239.03520	5.2
240.04005	0.5
241.05118	2.0
243.02892	0.3
257.04572	1.3
267.02975	3.1
268.03650	0.7
285.04068	100.0
286.04410	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	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	4.8
67.01906	3.0
68.99829	0.9
69.34652	1.0
69.35054	2.2
72.50357	0.5
76.59393	0.5
93.03482	1.8
95.01403	2.6
96.99338	0.9
110.00117	1.2
111.00906	1.2
117.03481	10.7
119.05047	7.9
121.58441	0.6
123.00842	0.9
132.53470	0.6
133.03029	0.6
135.00989	0.7
136.98801	3.8
137.02480	4.1
139.00378	3.9
143.05032	2.9
145.03003	4.3
149.05887	0.5
155.05136	0.5
157.06610	1.4
159.04579	1.1
163.00365	0.9
164.01186	0.9
164.98296	5.3
165.01884	1.6
165.99081	1.3
166.99864	2.2
167.05057	1.1
169.06598	0.9
171.04526	3.2
185.06111	4.3
187.04036	8.9
190.99821	0.6
192.00674	1.9
195.04564	1.2
196.05016	0.8
197.06143	0.9
199.04027	0.7
211.03993	1.7
213.05562	10.2
215.03577	3.1
217.05136	0.8
223.03978	1.1
229.05058	3.8
239.03549	3.3
240.04361	1.3
241.05122	5.3
255.03140	1.3
256.03717	1.0
257.04678	3.1
267.03073	1.0
285.04083	100.0
286.04477	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	285.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	1.0
65.00079	0.3
65.00340	3.2
69.31467	0.7
69.31866	0.8
75.60531	0.3
83.01391	1.4
96.93311	0.3
100.10215	0.3
105.03471	0.8
107.01400	4.8
117.03481	0.6
119.05076	1.4
121.02982	1.1
132.02171	0.7
133.02966	28.7
134.03290	1.1
136.98785	0.7
139.00409	0.6
143.05069	0.6
149.02461	3.6
151.00391	9.0
164.98277	0.9
171.04597	0.6
175.04025	5.6
177.01961	0.4
185.06058	0.6
187.03992	0.4
189.05663	0.3
197.06125	0.4
198.03253	0.6
199.03999	4.3
201.01923	1.4
211.04114	0.4
213.05579	1.1
215.03516	0.9
217.05046	2.4
223.04089	0.6
229.05087	0.4
237.36713	0.4
239.03441	0.6
241.05132	1.5
242.02155	0.4
243.03053	1.0
257.04398	1.0
274.88461	0.3
285.04068	100.0
286.04398	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02386	0.8
65.00329	3.0
83.01392	1.7
87.18681	0.2
93.03471	0.3
93.37750	0.2
94.53899	0.2
98.21861	0.3
105.03465	0.9
107.01401	5.4
113.22263	0.2
119.05042	0.3
121.02946	1.1
122.83123	0.2
132.02220	0.7
133.02965	29.6
134.03299	0.9
147.04475	0.5
149.02461	3.5
151.00375	9.1
151.04430	0.3
152.00720	0.3
163.80730	0.2
171.04521	0.7
173.02385	0.3
173.06111	0.3
175.04024	5.7
177.01950	0.3
182.03758	0.2
185.06085	0.5
189.05583	0.5
193.83833	0.2
197.06078	0.6
198.03203	0.7
199.04024	4.2
200.04318	0.4
201.01950	2.4
211.04074	0.3
212.04898	0.3
213.05585	0.8
215.03505	0.7
217.05072	2.8
218.05273	0.3
223.04019	0.6
229.05037	0.4
239.03497	0.3
240.04236	0.3
241.05061	1.5
242.02342	0.3
243.02997	0.8
257.04532	0.7
267.02972	0.5
285.04059	100.0
286.04404	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	285.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12842	0.3
55.59721	0.3
58.44223	0.3
62.34840	0.2
65.00333	6.7
67.01897	2.0
68.01941	0.3
68.99822	0.8
69.13689	0.3
69.26772	1.6
92.99827	1.1
93.03473	1.2
95.01410	2.1
96.99331	1.5
98.22658	0.6
110.00110	0.7
111.00871	0.9
117.03474	5.7
119.05050	5.9
120.99308	0.7
123.00906	0.8
133.03001	0.3
136.98820	5.5
137.02461	1.7
139.00365	2.2
143.05061	2.3
145.02971	4.0
155.04936	0.3
156.05872	0.4
157.06589	1.3
159.04533	0.9
163.00397	0.7
164.01205	0.7
164.98306	11.6
165.01958	1.1
165.99011	1.0
166.99867	1.3
167.05006	1.2
169.06621	1.2
171.04543	3.1
178.42198	0.3
183.04594	0.6
185.06091	4.3
187.04025	7.4
188.04369	0.5
189.05547	1.2
190.99953	0.7
192.00677	1.2
195.04492	0.9
196.05243	0.4
197.06090	1.4
198.03340	0.4
199.03995	0.5
201.05693	0.8
211.03984	1.8
212.04610	0.4
213.05582	9.8
214.05847	0.6
215.03542	2.6
217.05040	1.0
223.04082	0.4
229.05063	3.7
239.03514	2.3
240.04253	1.3
241.05089	4.8
243.03036	0.5
255.03133	0.6
256.03851	0.7
257.04599	3.3
267.02975	0.8
283.02637	0.3
285.04068	100.0
286.04391	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08881	0.7
57.03503	0.8
58.58698	0.7
59.01378	1.3
65.00331	55.7
66.00668	0.7
67.01910	1.1
68.99815	1.0
69.21758	4.4
75.50178	0.8
83.01392	0.9
92.99834	7.7
93.03478	2.4
95.01391	1.4
96.00940	1.0
96.99323	11.6
107.01395	1.4
108.99319	3.4
110.00121	5.0
110.97938	0.7
111.00916	1.2
117.03487	4.0
119.05041	42.2
120.05399	2.2
120.99318	4.5
121.02940	1.0
123.00904	0.8
133.03001	4.4
136.00426	1.2
136.98827	35.8
137.99181	1.1
138.01988	2.1
139.00415	3.6
141.03517	4.5
143.05064	2.1
145.02965	2.8
149.02470	1.6
151.00372	2.0
152.03540	4.7
163.00362	1.0
164.98311	85.4
165.00612	2.1
165.99072	6.9
166.01414	4.1
169.02957	2.6
171.04578	0.9
175.03979	0.9
178.99744	1.0
180.03059	2.1
185.02457	5.7
185.06093	2.9
187.04050	6.0
195.04532	1.6
197.06087	2.3
198.07565	0.8
199.03992	2.1
211.03989	1.6
213.01967	1.6
213.05585	4.0
215.03503	3.0
217.05014	1.1
229.05115	1.7
241.05110	2.3
242.60765	0.8
243.03101	0.8
257.00940	8.3
257.04663	6.9
267.01990	1.1
284.26926	1.0
284.53406	1.3
285.00732	4.9
285.04053	100.0
286.04364	4.7
286.07248	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	285.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	1.3
65.00333	22.0
68.80000	0.3
68.99834	0.5
75.52731	0.4
79.46557	0.3
82.00586	0.5
83.01375	0.9
92.99816	2.2
93.03394	0.4
96.99332	3.8
105.03443	0.6
107.01402	2.7
108.99329	1.0
109.02948	0.7
110.00099	1.4
111.00871	0.8
117.03461	1.6
119.05043	18.6
120.05320	0.6
120.99330	1.7
121.02953	0.8
133.02971	14.7
134.03336	0.5
136.98825	15.6
139.00380	1.1
143.05051	0.8
145.02936	0.6
149.02477	2.5
151.00383	5.0
164.98306	36.5
165.99068	3.9
171.04517	0.8
173.06036	0.4
175.03992	3.1
178.99854	0.5
185.06085	1.6
187.03993	1.8
196.93964	0.4
197.06181	0.8
199.04010	2.3
201.01939	0.8
211.04102	1.1
213.05620	1.1
215.03496	1.4
217.05075	2.2
239.03453	0.9
241.05133	1.2
243.03017	0.8
257.04620	3.2
267.02893	0.8
285.04074	100.0
286.04398	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0409
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.28363	0.2
63.02395	1.3
63.35926	0.3
65.00327	5.4
69.44273	0.3
70.43881	0.3
77.00318	0.3
83.01406	1.2
88.32947	0.2
93.03477	0.4
96.99331	0.4
101.17898	0.3
104.65760	0.3
105.03474	0.6
107.01408	3.9
109.45328	0.2
111.00904	0.3
117.03481	1.8
119.05058	3.8
121.02954	1.1
129.07123	0.3
132.02226	0.5
133.02971	23.3
134.03299	0.8
134.75963	0.3
136.98808	1.7
137.02455	0.7
139.00372	0.7
143.05005	0.6
149.02467	3.1
151.00386	7.4
164.98315	3.2
165.99030	0.7
166.99669	0.3
169.06665	0.5
171.04538	1.0
175.04037	4.1
185.06111	0.8
187.04045	0.7
192.00859	0.3
195.04527	0.4
197.06035	0.6
198.03163	0.4
199.04018	3.2
201.01971	1.6
211.03947	0.4
213.05618	1.0
215.03432	0.6
217.05074	1.6
223.03978	0.8
226.02734	0.4
229.05023	0.5
239.03441	0.4
240.04276	0.4
241.05072	1.4
243.03061	1.0
249.27766	0.3
257.04596	1.2
267.02936	0.5
268.03720	0.4
285.04068	100.0
286.04419	6.1
289.19470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
65.00333	3.6
69.29713	2.2
69.30113	2.9
76.78833	1.0
78.95930	3.0
80.28539	0.8
83.99832	0.8
106.88868	0.8
108.02182	100.0
109.02992	17.3
110.00096	1.1
114.05624	1.7
119.05084	4.1
133.02951	1.3
136.98814	1.9
145.02913	1.1
152.01166	61.4
153.01955	26.5
163.03970	2.1
164.98283	5.6
165.02025	1.1
186.95641	1.1
193.90759	1.4
196.07739	0.9
284.26767	2.0
285.06256	55.6
286.06552	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	285.0619
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
59.01374	1.4
59.09296	0.5
65.00316	1.8
68.81413	0.5
70.82957	0.7
70.83324	0.6
74.02466	0.8
81.03441	0.9
93.03434	0.8
95.01423	0.5
95.54890	0.5
97.72910	0.7
108.02180	100.0
109.02989	15.0
110.03326	0.6
119.05040	2.1
120.59818	0.5
121.02969	1.1
123.04485	0.7
129.38489	0.5
129.41476	0.6
133.02972	0.8
136.98833	1.4
151.04025	1.6
152.01161	61.8
153.01958	31.1
153.02931	0.4
154.02296	1.0
163.04074	0.9
164.98309	2.3
165.01985	1.0
165.99170	0.7
174.99268	0.6
186.95630	1.1
192.97429	0.5
195.02867	0.5
202.98740	0.7
267.06689	0.7
284.26831	1.7
285.06250	56.0
285.27017	0.6
286.06610	2.8
300.31085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.7
63.02390	1.2
65.00333	15.4
66.01100	1.2
67.01879	0.7
68.99817	1.7
69.31998	3.3
72.99299	0.7
79.06747	0.6
82.00607	9.3
83.01395	1.7
86.74234	0.6
93.03464	0.7
94.00639	0.7
95.01384	1.1
96.99311	1.4
102.00257	0.6
104.19491	0.7
107.01417	3.3
108.99345	0.8
110.00109	83.4
111.00378	0.8
117.03473	3.2
119.05043	15.0
121.02979	1.5
122.00146	0.8
122.02478	0.7
123.00913	2.8
124.01685	1.2
133.02971	21.3
134.03369	0.7
136.98817	7.9
137.02480	1.6
137.99608	28.7
139.00395	2.2
141.99127	1.1
149.02443	3.3
151.00406	7.3
152.01144	1.0
152.03578	1.2
164.98312	11.9
165.00601	0.7
165.01895	1.3
165.99092	53.4
166.99670	2.4
167.05052	0.8
169.06644	1.3
171.04416	0.8
175.04080	3.9
178.99904	5.9
179.03436	1.1
180.00629	1.5
185.06085	1.7
187.04001	1.1
199.04085	2.3
201.01961	0.7
213.05606	3.5
214.06424	4.6
217.05142	1.4
223.04018	0.8
229.05206	0.8
239.03406	1.2
241.05058	1.4
242.05981	3.1
243.02989	1.2
246.05357	1.3
257.04660	1.5
257.15784	0.8
267.03058	0.8
269.04617	0.8
270.05365	88.8
271.05688	4.6
285.04080	100.0
285.07693	86.6
285.20758	2.3
286.04578	8.8
286.07867	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
63.02418	0.4
65.00330	11.7
66.00666	1.3
66.01073	0.5
67.01886	0.6
68.99799	0.6
70.53484	0.8
72.99295	0.6
82.00615	5.1
83.01395	1.1
92.99834	0.8
94.00625	0.6
95.01403	1.0
96.99299	1.2
105.03480	0.4
107.01420	3.5
108.99328	0.6
110.00110	43.5
111.00344	0.6
111.00981	0.8
117.03490	3.9
119.05045	8.9
120.05353	0.4
121.02948	0.9
122.00134	0.4
123.00906	2.4
123.31961	0.4
124.01647	0.6
126.10844	0.5
132.02185	0.4
133.02977	17.0
134.03320	0.6
136.98846	6.7
137.02444	1.9
137.99632	11.7
139.00418	1.9
143.05014	1.0
145.03035	0.5
147.04669	0.5
149.02425	1.8
151.00397	6.3
157.06514	0.5
161.02402	0.4
163.00371	1.0
164.00783	0.6
164.98320	7.9
165.01863	0.8
165.99091	36.7
166.99881	1.9
167.05054	0.8
169.06665	0.9
170.05643	0.4
171.04601	0.9
175.04022	3.5
178.99846	1.8
180.00632	0.6
185.06125	0.9
187.04016	1.0
192.00652	0.6
198.03316	0.5
199.04013	1.9
201.01930	1.2
201.05324	0.5
202.98698	0.6
211.03958	0.9
212.04488	0.7
213.05571	2.3
214.06340	1.5
215.03389	0.8
217.05119	0.9
223.03970	0.5
226.10985	0.6
228.04086	0.8
229.04883	0.8
239.03505	1.4
241.05061	2.0
241.13382	0.6
242.05949	1.9
243.03004	0.6
256.03223	0.6
257.04666	2.3
259.88379	0.4
267.03030	0.6
268.03485	0.5
270.05353	39.6
271.05685	2.0
284.02682	0.7
285.03986	100.0
285.07639	45.6
285.20721	2.3
286.04422	7.4
286.07907	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	285.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93394	0.7
56.48548	0.7
63.28982	0.8
65.00330	9.6
66.01097	1.5
68.99821	1.7
69.51307	3.7
72.99322	1.0
75.08994	0.9
77.63231	0.8
80.54705	0.9
82.00600	13.0
83.01404	2.5
94.00646	1.0
95.01394	2.8
96.99324	1.6
107.01410	2.9
110.00107	100.0
111.00934	13.2
117.03483	3.0
117.57310	0.8
119.05042	7.7
122.00209	0.9
123.00913	6.4
124.98801	1.6
125.02396	1.2
131.41130	0.8
133.02971	1.9
136.98810	4.2
137.99603	27.8
139.00386	16.5
143.05032	0.9
151.00394	5.4
161.02406	1.1
164.98270	3.1
165.99086	77.5
166.99863	5.9
169.06569	2.5
171.04510	2.0
178.99893	6.2
185.06158	1.1
187.03996	1.0
195.04524	1.1
199.03998	1.7
200.32297	0.9
211.04034	1.0
213.05522	5.2
214.06329	3.0
217.05045	1.1
223.04044	2.1
239.03642	1.0
242.05875	3.4
267.03174	1.2
269.04593	1.5
270.05341	93.5
271.05664	5.5
285.04074	60.9
285.07684	96.8
286.04306	3.1
286.07922	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	285.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60569	1.0
59.01385	19.5
64.30610	0.9
65.00324	6.3
66.03501	1.0
68.99818	4.1
72.00924	8.7
74.02477	17.5
79.87709	1.1
80.07166	0.9
82.02986	3.9
92.99818	1.0
94.02999	1.6
96.99316	1.8
99.00889	1.4
108.02212	2.0
108.04579	2.3
109.02963	16.2
110.02515	4.9
110.03191	0.9
111.02003	4.7
116.05077	47.1
117.05422	1.2
119.05047	7.2
122.02470	2.2
124.04051	1.3
129.05824	1.9
130.06648	13.6
133.02982	1.3
136.98773	5.4
142.06651	12.3
152.01152	2.9
152.03514	4.4
153.01949	16.6
157.07748	1.4
159.09280	8.3
161.31314	1.0
164.98331	12.0
165.99039	1.5
171.35318	1.0
182.04622	5.2
186.05678	2.1
187.04118	1.2
203.08276	100.0
204.08545	3.7
225.06520	58.7
226.06731	2.9
242.06781	7.6
253.07285	1.5
284.26709	3.1
285.03378	7.2
285.06454	8.5
285.08948	1.5
285.27191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83181	2.3
55.83181	2.2
59.01387	79.4
60.46473	2.4
60.69394	2.1
63.93763	2.5
65.00331	71.2
71.01392	22.5
81.95545	2.7
83.05013	4.1
85.02984	3.6
89.02464	28.3
92.99833	12.0
93.03468	3.6
95.01341	3.3
96.99319	12.6
101.02467	8.6
108.99309	4.3
110.00118	5.5
112.41107	2.1
113.02448	9.0
114.05595	3.7
119.03541	7.0
119.05035	64.3
120.05366	3.5
120.99341	4.7
121.02895	2.9
133.02992	5.3
136.98827	36.4
139.00340	2.5
143.05008	2.6
145.02943	4.4
149.02495	2.4
161.04427	2.7
164.98320	100.0
165.98965	10.6
170.57542	2.6
174.61371	2.5
179.05585	3.7
187.04033	8.1
199.04243	3.1
211.04092	2.4
215.03596	3.7
217.05023	4.2
225.16054	6.8
257.04636	8.4
284.26733	8.9
285.04089	86.1
285.07294	5.0
286.04498	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	285.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	6.1
65.00323	2.6
69.21451	3.8
82.06609	1.2
92.99818	0.6
97.06603	0.7
112.07701	1.2
117.03461	3.8
118.03838	3.0
119.05053	4.7
120.05370	1.9
126.09297	1.7
129.10336	1.2
130.08752	100.0
131.09109	3.0
133.02986	0.9
136.04074	0.9
136.98804	1.4
137.02454	0.7
138.01996	0.6
139.00395	0.8
141.03448	0.8
154.08752	15.2
157.02892	0.6
157.80617	0.6
164.98302	3.2
165.03918	0.7
182.15483	1.2
183.01231	2.3
185.02431	1.4
187.03966	1.0
196.05092	0.6
197.16568	0.8
199.04015	1.1
199.18169	83.0
200.18547	4.0
213.05495	1.3
223.18146	0.9
241.19221	8.6
242.19662	1.0
243.17085	4.4
257.00882	1.4
257.04025	0.6
268.03836	3.1
285.03757	10.7
285.06433	17.8
285.18213	91.1
286.06564	1.2
286.18558	6.3
289.67084	0.6
302.46072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08780	0.6
54.62898	0.6
59.01373	1.5
61.00438	16.8
64.48596	0.6
65.00325	2.3
67.03020	4.1
71.40891	0.6
74.02489	0.9
78.95905	1.2
85.39138	0.6
89.91166	0.7
97.06606	1.8
106.80292	0.5
106.81085	0.6
110.00095	0.7
111.99592	2.4
112.47643	0.6
116.83794	0.5
117.03508	0.6
117.17175	0.6
119.05034	1.4
119.86429	0.6
125.09750	0.7
126.01178	100.0
127.01511	2.6
130.08739	1.9
133.03011	0.8
133.06949	1.9
142.03314	0.8
143.05089	0.8
144.05710	2.3
145.08749	3.1
146.03593	0.7
165.00984	3.3
166.01764	4.8
170.00168	1.5
171.04575	1.4
178.01781	0.6
180.03354	9.9
199.03995	1.1
200.17705	0.9
215.03506	1.4
224.02342	55.8
225.02660	1.4
236.78169	0.7
242.04530	7.3
268.15601	1.8
286.03973	3.8
286.16718	2.2
287.01987	1.7
287.14957	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	286.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08780	0.6
54.62898	0.6
59.01373	1.5
61.00438	16.8
64.48596	0.6
65.00325	2.3
67.03020	4.1
71.40891	0.6
74.02489	0.9
78.95905	1.2
85.39138	0.6
89.91166	0.7
97.06606	1.8
106.80292	0.5
106.81085	0.6
110.00095	0.7
111.99592	2.4
112.47643	0.6
116.83794	0.5
117.03508	0.6
117.17175	0.6
119.05034	1.4
119.86429	0.6
125.09750	0.7
126.01178	100.0
127.01511	2.6
130.08739	1.9
133.03011	0.8
133.06949	1.9
142.03314	0.8
143.05089	0.8
144.05710	2.3
145.08749	3.1
146.03593	0.7
165.00984	3.3
166.01764	4.8
170.00168	1.5
171.04575	1.4
178.01781	0.6
180.03354	9.9
199.03995	1.1
200.17705	0.9
215.03506	1.4
224.02342	55.8
225.02660	1.4
236.78169	0.7
242.04530	7.3
268.15601	1.8
286.03973	3.8
286.16718	2.2
287.01987	1.7
287.14957	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	286.0351
Annotation	CHEBI:68708
Peak:m/z	Relative Intensity
59.01404	1.4
65.00317	1.4
70.69303	2.5
78.95891	1.8
84.69677	1.1
85.99963	2.1
87.05653	1.6
94.93638	7.4
99.05651	2.3
118.98093	5.9
119.05112	1.3
126.01157	5.2
130.08771	12.7
136.99123	8.8
141.06697	2.9
142.93982	1.7
143.11940	3.8
146.03624	2.9
155.08263	2.8
165.01042	8.7
180.03366	2.9
189.07071	9.5
238.51508	1.6
239.61343	1.4
239.63675	1.4
242.04521	100.0
242.18861	1.7
243.04839	3.3
244.16573	1.4
258.43884	1.4
286.03897	5.1
286.07336	2.4
286.17743	13.0
287.02216	2.5
287.05432	1.5
287.09818	1.3
287.15088	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	286.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98322	0.2
53.00298	0.6
57.26787	0.3
59.01396	0.5
60.40629	0.2
65.00332	20.1
66.00697	1.4
66.01091	1.6
67.01894	1.5
68.99820	3.8
69.03448	0.3
69.17480	0.9
69.17885	0.8
72.99316	2.7
80.02678	0.3
80.99833	0.6
82.00611	11.8
83.01393	0.7
84.99319	0.3
92.99854	0.3
93.03520	0.6
94.00625	0.7
95.01400	8.6
96.02219	0.5
96.99316	3.2
99.00868	0.3
107.01397	0.7
108.99329	1.0
110.00109	100.0
111.00984	6.5
117.03491	0.4
119.05045	15.6
120.05371	4.0
122.00102	0.9
123.00913	8.9
124.01678	14.5
124.98818	2.4
125.02061	0.3
125.99605	1.0
133.02968	1.4
134.03276	1.4
136.97971	0.2
136.98824	11.0
137.99622	23.6
138.75551	0.3
139.00394	29.2
140.01157	1.0
141.99086	2.6
144.05457	0.4
149.02435	0.6
150.02913	0.4
151.00352	2.0
151.95850	0.3
152.01178	12.4
152.98308	0.4
153.01607	0.3
156.00688	1.1
159.04482	0.4
164.01196	0.3
164.98314	5.0
165.01907	0.5
165.99094	53.6
166.99879	32.6
167.04913	0.3
168.00226	1.0
171.04358	0.3
176.04297	0.4
178.99873	4.9
180.00665	25.0
181.01024	0.8
185.00935	1.1
185.06091	3.2
186.06570	0.3
187.04103	0.7
188.04831	1.3
189.05676	0.6
193.01437	2.9
196.04999	0.3
199.03999	0.4
200.04457	0.6
201.05675	0.4
202.02451	0.3
202.06363	0.3
213.08018	0.3
216.04114	0.5
218.05544	0.3
224.04593	0.3
229.05096	4.3
230.05858	3.9
234.05360	0.6
235.33260	0.3
241.04973	0.4
242.05571	0.4
245.04533	1.1
258.05270	5.1
262.04794	0.5
268.03656	1.3
285.03973	0.5
285.20630	0.5
286.04785	94.4
287.02087	0.5
287.05142	6.2
287.16574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21465	0.8
62.00760	0.7
65.00332	7.9
65.99873	1.1
66.00652	2.1
68.99834	1.7
69.25875	4.6
69.26178	0.8
75.07066	0.7
77.44153	0.7
80.01424	1.7
83.01399	3.0
87.70460	0.7
93.03483	6.3
94.03006	4.5
95.01395	4.4
96.00925	5.0
96.99316	1.4
98.02491	2.9
100.86524	0.7
108.04548	1.8
109.01693	0.7
109.02961	2.4
110.02485	9.3
111.00906	2.0
119.05040	71.3
120.00900	2.3
120.05357	4.9
122.02490	16.6
123.03264	3.0
124.00410	4.3
134.02524	3.6
136.00414	8.3
136.04060	8.9
136.98798	3.2
137.99181	2.1
138.01987	25.7
139.00404	3.6
140.03526	1.8
145.02966	1.2
151.02808	1.6
151.50485	0.8
152.03552	60.8
153.01967	6.0
162.01900	0.8
164.98294	7.5
165.98657	6.3
166.01477	46.1
166.99841	3.4
171.25734	0.7
176.93980	0.7
180.03055	23.4
181.01527	1.6
184.02501	1.1
189.05664	0.8
192.03038	5.2
244.06241	0.8
258.05237	1.3
258.07712	6.4
259.06039	0.9
262.52066	0.8
279.50336	0.8
286.04550	6.0
286.07230	100.0
287.05069	6.4
287.08044	2.2
289.06662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21465	0.8
62.00760	0.7
65.00332	7.9
65.99873	1.1
66.00652	2.1
68.99834	1.7
69.25875	4.6
69.26178	0.8
75.07066	0.7
77.44153	0.7
80.01424	1.7
83.01399	3.0
87.70460	0.7
93.03483	6.3
94.03006	4.5
95.01395	4.4
96.00925	5.0
96.99316	1.4
98.02491	2.9
100.86524	0.7
108.04548	1.8
109.01693	0.7
109.02961	2.4
110.02485	9.3
111.00906	2.0
119.05040	71.3
120.00900	2.3
120.05357	4.9
122.02490	16.6
123.03264	3.0
124.00410	4.3
134.02524	3.6
136.00414	8.3
136.04060	8.9
136.98798	3.2
137.99181	2.1
138.01987	25.7
139.00404	3.6
140.03526	1.8
145.02966	1.2
151.02808	1.6
151.50485	0.8
152.03552	60.8
153.01967	6.0
162.01900	0.8
164.98294	7.5
165.98657	6.3
166.01477	46.1
166.99841	3.4
171.25734	0.7
176.93980	0.7
180.03055	23.4
181.01527	1.6
184.02501	1.1
189.05664	0.8
192.03038	5.2
244.06241	0.8
258.05237	1.3
258.07712	6.4
259.06039	0.9
262.52066	0.8
279.50336	0.8
286.04550	6.0
286.07230	100.0
287.05069	6.4
287.08044	2.2
289.06662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19459	0.3
65.00327	4.5
66.00658	0.6
67.01905	0.3
67.14285	0.3
67.59754	0.3
68.99823	0.8
69.40254	0.9
70.02982	1.0
72.04556	0.8
81.03498	0.4
92.99841	0.5
93.03487	0.5
95.01379	0.5
96.00941	0.5
96.04560	2.5
96.99303	1.0
98.02484	18.1
98.21867	0.6
101.86336	0.3
108.71292	0.3
110.00098	0.5
110.02496	1.6
110.22515	0.3
111.00887	2.1
112.01226	0.8
112.98795	0.4
113.02463	0.4
117.03455	1.2
119.05035	10.6
120.05383	1.4
120.99338	0.6
122.02509	0.7
123.00954	0.4
124.00375	0.4
129.54272	0.3
136.04063	0.4
136.98820	3.5
137.02499	0.3
138.01979	1.9
139.00386	3.7
139.02745	1.0
140.03551	100.0
141.02029	0.4
141.03897	2.4
143.05069	1.5
149.84074	0.3
149.99687	0.4
152.03514	0.9
153.01961	2.3
161.06065	0.6
164.98308	7.2
165.98718	1.0
166.01454	1.1
166.99872	1.1
171.04480	0.4
173.06133	0.5
181.01440	1.0
188.04765	0.8
189.05560	1.0
194.19553	0.3
199.04221	0.3
200.04654	0.3
200.07152	0.3
209.32191	0.3
240.81158	0.3
241.05095	0.7
243.06541	0.4
269.04578	12.4
286.01547	0.4
286.04340	2.0
286.07278	6.2
286.10577	0.6
287.05566	5.1
287.08362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2392
Annotation	Prosopinine
Peak:m/z	Relative Intensity
52.85657	0.4
57.50526	0.5
58.08885	0.4
59.96920	0.4
64.83618	0.5
65.00329	4.4
68.92099	0.4
68.99821	0.6
69.73217	0.5
70.87451	0.8
72.99310	0.7
74.06109	1.4
82.00625	2.3
93.03387	0.5
95.01360	0.7
95.66743	0.5
96.99273	0.6
107.01376	0.6
110.00113	18.3
111.00351	0.8
117.03506	0.6
118.05081	1.2
119.05045	5.3
120.05331	2.3
122.02419	0.5
123.00864	1.5
124.01632	1.2
124.98859	0.4
133.02960	2.7
134.03299	1.7
136.98811	1.8
137.99649	2.6
138.02040	0.6
139.00435	3.2
151.00406	1.3
152.01132	2.0
152.03557	1.1
153.01941	1.1
157.78180	0.5
164.98314	0.9
165.99081	11.0
166.01306	0.9
166.99863	4.7
178.99878	0.9
180.00670	3.2
180.03062	1.1
199.03839	0.5
200.04369	0.5
207.76808	0.5
230.05714	0.9
235.70633	0.5
238.21860	0.6
240.23349	3.2
242.21304	1.6
258.05273	1.2
268.22821	1.4
271.05692	1.3
286.04581	25.9
286.07721	2.9
286.23904	100.0
287.05194	3.5
287.24249	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	286.9822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01387	2.8
64.95244	1.1
65.00313	0.5
69.07834	2.6
72.51083	0.5
73.02938	1.4
78.94141	4.3
83.05013	1.1
84.97536	0.8
85.02934	0.6
91.05579	0.4
94.93633	8.8
97.06599	1.3
105.86706	0.4
109.06570	2.1
110.91351	100.0
111.04520	3.2
111.91297	0.7
117.00184	1.3
117.03475	0.5
119.05038	0.5
120.82874	0.5
142.93973	75.6
143.93948	0.4
144.99677	0.5
164.06773	0.5
171.04550	0.5
176.96860	1.2
177.02292	7.4
186.49461	0.5
197.99931	0.5
199.04060	0.6
227.07297	0.4
236.55095	0.5
254.95599	0.6
287.02066	1.0
287.04956	0.6
287.14978	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	287.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96049	0.5
52.24139	0.5
54.46984	0.4
57.03445	0.5
59.01383	1.2
61.00191	0.4
61.09336	0.5
65.00333	7.8
66.00661	0.6
66.58324	0.6
69.16406	3.4
83.01402	2.5
85.02953	1.6
93.03475	1.3
95.01403	2.2
104.02794	0.6
107.01402	2.7
109.02942	1.1
111.00902	4.1
112.39919	0.5
115.05547	2.3
117.03503	0.5
119.01370	0.5
119.05041	11.8
123.00883	0.9
124.01680	2.1
125.02438	0.8
127.05561	0.5
130.50624	0.5
131.05040	1.6
132.02150	0.6
133.02969	57.3
134.03296	1.5
135.00905	1.1
136.98836	4.8
139.00378	8.2
141.03506	0.8
143.05045	10.1
145.02957	4.1
147.00919	0.5
147.04527	1.4
149.02428	0.6
151.00307	0.9
152.01143	1.0
153.01952	15.1
153.03336	1.1
154.04286	0.7
155.04976	1.0
157.02983	5.2
158.03761	1.6
159.03371	0.8
159.04556	10.1
161.02463	1.6
161.06064	0.6
166.99881	6.0
169.02911	1.2
170.03746	1.3
171.04538	15.4
172.04855	0.5
173.02420	2.0
175.04028	2.3
177.01949	1.9
181.01497	4.9
181.02914	1.1
182.03731	0.9
185.02444	1.2
186.03232	0.9
187.04031	30.9
188.04344	0.7
189.05663	1.0
193.01483	1.2
197.02502	3.2
198.03265	3.7
199.04041	13.0
201.01958	4.9
202.99942	0.8
213.01897	0.6
214.02713	2.1
215.03528	25.2
216.03758	0.7
226.02696	0.6
241.01357	0.6
243.03017	14.1
243.06750	0.8
245.00986	1.0
259.01813	0.6
259.06149	1.3
269.00873	0.8
287.01981	100.0
287.05563	22.9
287.15002	1.7
288.02350	5.9
288.05896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	70.5
65.88422	1.3
66.00617	1.4
70.14684	3.2
81.03413	1.2
81.28277	1.5
83.01379	2.9
95.01412	1.3
96.99310	1.6
108.99330	2.8
110.54388	1.3
115.05531	3.6
117.03454	3.2
119.05054	2.1
129.03535	2.0
130.04218	2.5
131.05031	6.1
133.02962	12.9
136.98801	3.9
143.05048	20.2
144.02232	2.5
145.02979	10.9
147.04565	12.4
153.03488	4.4
155.05045	8.0
157.02940	3.2
158.03806	1.7
159.04504	2.0
160.01637	2.2
161.02415	1.7
164.98289	7.9
169.02940	4.1
171.04535	52.7
173.02458	20.8
174.03242	3.7
175.03996	17.4
177.39320	1.6
182.03760	7.8
185.02449	2.4
186.03174	7.1
187.04022	5.7
197.02489	6.4
198.03242	39.7
199.04030	57.7
200.01248	7.4
200.04385	3.5
201.01949	32.4
215.03517	19.8
226.02782	8.3
237.72603	1.5
242.02222	100.0
243.02962	48.4
244.03236	1.5
269.04559	12.8
287.01984	15.9
287.05603	3.6
306.71533	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	287.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28554	0.4
59.01372	2.5
65.00328	9.4
68.99831	0.7
69.47829	1.2
69.48227	1.1
72.71739	0.5
83.01384	2.4
85.02971	1.1
93.03442	1.1
95.01409	3.2
96.99319	0.6
98.22678	0.8
107.01371	2.6
109.02948	1.1
111.00886	5.2
111.04540	0.6
115.05520	1.8
117.03460	1.0
119.05036	17.0
120.05292	0.7
123.00874	1.9
124.01667	3.4
131.05034	1.3
132.02170	0.7
133.02968	55.8
134.03397	1.2
135.00909	0.9
136.98824	4.6
137.02409	0.9
139.00395	10.0
141.03491	0.5
143.05040	9.6
145.03014	2.9
146.82919	0.5
147.00890	0.6
147.04512	0.8
151.00389	1.2
153.01950	20.6
155.05103	0.8
157.02960	4.6
158.03716	2.7
159.04529	8.5
161.02451	0.7
164.98320	1.0
166.98651	1.0
166.99896	10.9
169.02963	1.8
170.03716	0.9
171.04530	14.6
173.02441	1.5
173.06131	0.8
175.00462	0.7
175.04030	2.2
177.01930	1.8
181.01440	9.1
181.02924	0.9
182.03696	0.6
185.02536	0.7
187.04013	32.7
188.04353	1.0
189.05559	2.1
193.01401	1.8
197.02489	2.6
198.03162	3.4
199.04008	14.1
201.01987	3.9
201.05544	0.7
201.10835	0.6
213.01967	0.9
214.02632	1.5
215.03516	24.2
216.03764	1.0
225.05600	0.6
231.02980	1.1
241.05063	0.8
243.02997	12.5
243.06805	0.9
245.00874	0.8
259.01764	1.0
259.06052	2.0
269.01007	1.0
269.04721	0.8
287.01953	100.0
287.05542	31.4
287.14972	1.5
288.02414	6.8
288.05582	1.1
289.80731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
64.99760	0.3
65.00340	4.6
69.09785	0.9
69.10206	1.4
70.74657	0.4
83.01399	0.5
95.01391	0.6
104.54171	0.3
107.01416	2.6
109.02983	0.5
111.00912	0.5
115.05559	2.2
117.03504	0.7
125.02478	0.5
127.05591	0.4
130.04318	0.5
131.05037	1.1
132.02208	1.1
133.02971	54.8
134.03339	1.7
135.00897	0.4
136.98802	0.9
141.03426	0.7
143.05040	9.5
145.02968	3.0
147.00868	0.5
147.04550	0.8
151.00365	1.1
153.03464	1.0
154.04225	0.4
155.05064	0.4
157.02956	5.6
158.03720	1.3
159.04532	9.5
161.02432	1.4
161.06068	0.4
163.04054	0.9
169.02985	1.5
170.03731	1.1
171.04539	12.3
172.04808	0.4
173.02457	1.8
174.03183	0.5
175.04010	1.4
177.01953	1.4
181.03018	0.7
182.03709	1.0
185.02496	0.9
186.03229	0.7
187.04021	30.7
188.04417	1.2
189.05542	0.7
197.02502	2.9
198.03256	3.6
199.04030	12.2
200.04308	0.7
201.01962	4.7
202.99892	0.6
213.01935	0.9
214.02734	2.2
215.03513	24.5
216.03911	0.8
225.01947	0.4
226.02710	0.6
241.01454	0.9
243.02994	13.1
244.03394	0.5
245.00941	0.9
269.00861	1.1
287.01999	100.0
288.02368	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	287.02
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
65.00333	89.6
68.99819	1.3
69.42844	3.8
78.95921	2.4
79.99048	44.3
85.03000	1.4
87.04530	4.8
95.01402	1.7
95.05011	1.4
96.99326	1.6
101.03989	1.6
101.21452	1.1
102.95828	1.4
105.03481	4.8
108.99327	5.3
112.07703	3.7
115.05550	11.6
117.03451	4.6
119.05046	9.9
119.08597	1.2
121.02989	1.2
123.04545	2.1
123.98028	9.1
124.98823	3.2
125.02481	2.7
127.05573	1.3
128.07175	5.2
129.03471	2.9
130.04262	2.1
131.05051	6.0
133.02974	9.8
135.04546	13.5
143.05042	46.6
143.51164	1.1
144.05423	1.8
144.77480	1.1
145.02953	14.8
146.03784	2.6
146.08231	1.4
147.04536	15.3
149.31328	1.1
151.00354	1.1
151.87276	1.2
151.97533	57.9
152.98354	5.7
153.02010	1.6
153.03470	3.0
154.04283	1.9
155.05043	12.6
156.06657	1.4
157.02956	6.4
159.04532	7.2
161.02460	2.0
161.06108	3.3
163.04034	7.5
169.02960	3.0
170.03743	2.7
171.04536	79.7
172.04855	3.1
172.49242	1.0
173.02473	9.9
174.03181	3.4
174.07733	4.0
175.04028	21.1
181.01454	1.1
181.02899	2.5
182.03700	3.2
185.02457	3.1
187.04021	28.3
188.04352	2.2
197.02478	4.7
198.03229	10.4
199.04022	63.5
200.04453	1.3
201.01945	23.4
203.03505	3.8
213.01941	3.9
214.02759	4.8
215.03517	47.1
216.03766	2.3
237.48247	1.4
241.01498	2.4
242.02211	5.5
243.03012	26.4
243.12321	1.5
244.03464	1.3
245.00948	4.3
259.02496	17.4
269.00955	6.6
287.02011	100.0
287.05286	4.9
287.15076	3.7
288.02448	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87256	0.6
65.00330	28.2
65.28281	0.5
68.99799	0.9
81.53127	0.6
83.01380	1.6
92.99828	5.9
93.03469	0.6
95.01395	1.3
96.99319	8.7
108.99319	2.0
109.03001	0.8
109.67097	0.6
111.00888	3.4
119.05042	7.4
119.42219	0.7
120.99341	4.3
123.00861	1.1
124.01669	3.7
136.98816	24.4
139.00386	5.4
141.07057	0.7
143.39626	0.6
149.99625	1.1
152.01103	0.9
153.01953	13.9
164.98300	65.1
165.98645	1.3
166.99857	7.0
169.06549	0.9
171.04514	1.8
173.06096	3.1
177.99121	2.8
181.01440	5.4
193.01419	0.7
197.06149	1.7
199.04039	4.9
213.05510	1.1
221.96599	0.7
225.05571	1.6
227.03525	2.0
241.05090	5.6
242.02199	1.0
243.06551	3.9
259.06131	1.5
269.04562	100.0
270.04846	6.1
287.05624	25.9
288.05878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	Norartocarpanone
Peak:m/z	Relative Intensity
57.33588	1.4
65.00332	28.7
68.99817	9.7
69.26457	6.4
72.62822	1.2
75.45637	1.5
77.40926	1.2
78.71658	1.1
79.16602	1.5
84.99304	4.4
92.99818	5.1
95.01363	1.6
96.99325	7.8
99.00893	5.6
111.00896	3.5
112.07970	1.7
112.98821	100.0
113.99193	2.3
115.05555	1.7
120.99324	4.0
124.01631	1.8
127.00382	9.7
127.05576	3.8
128.09258	1.6
131.05019	10.7
136.98820	17.0
139.05536	3.9
141.01927	3.8
147.04520	7.5
153.01913	1.5
155.05090	2.6
156.00656	36.7
156.05702	1.4
158.28308	1.3
160.92686	1.3
164.98306	46.3
165.98628	1.8
171.04495	8.0
173.06081	4.2
183.04535	1.6
188.09549	1.5
199.03999	9.4
200.04738	3.0
201.05608	1.7
215.03455	1.7
215.06946	1.4
225.05502	1.5
227.03575	2.9
228.04227	3.1
231.06635	6.4
231.27371	1.4
241.05089	2.8
243.06686	2.7
259.06137	17.6
260.06381	1.5
269.04559	72.6
270.04846	6.3
287.05536	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	287.0563
Annotation	Cyanomaclurin
Peak:m/z	Relative Intensity
65.00329	29.0
69.24092	3.2
69.24361	0.9
69.59657	0.5
92.99810	4.2
96.99319	8.0
108.99320	1.5
111.00873	1.5
115.39666	0.6
120.99334	4.4
124.01661	2.0
125.02465	1.4
126.05380	0.6
133.86426	0.7
136.98822	23.2
137.99059	0.8
141.01984	1.7
149.99557	1.4
152.01161	0.9
153.01945	0.7
164.98312	63.5
165.98674	1.4
169.06670	0.7
173.06104	2.7
177.99103	3.1
197.06088	1.5
199.04053	2.9
213.05623	0.9
225.05586	1.9
227.03662	1.7
229.20961	0.7
241.05075	5.0
243.06631	2.2
260.58832	0.6
269.04565	100.0
270.04892	6.5
287.05588	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Cyanomaclurin
Peak:m/z	Relative Intensity
53.66108	0.6
55.40415	0.7
59.11359	0.6
65.00328	38.5
69.44092	2.0
92.99837	6.2
96.99323	9.2
108.99312	2.4
111.00896	1.8
114.50813	0.6
120.99339	3.8
124.01674	2.7
136.98817	27.1
141.07193	0.7
149.99594	0.8
153.01965	0.9
156.85020	0.7
164.98302	69.0
165.98622	2.0
169.06630	1.3
171.04539	1.8
173.06110	2.9
177.99062	2.0
179.32709	0.6
197.06137	1.5
199.03992	4.2
213.05591	2.2
225.05614	1.6
227.03528	1.5
241.05133	4.7
243.06619	3.9
258.06253	0.7
269.04565	100.0
270.04944	6.2
287.05591	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03447	1.3
58.99571	0.5
61.22303	0.5
65.00324	1.5
69.03463	0.6
70.04608	1.2
71.01386	1.2
73.02937	0.7
80.37401	0.5
81.03458	0.6
83.01407	0.8
85.02943	1.2
87.27776	0.5
95.01404	2.4
96.99329	0.6
97.02972	2.3
98.22595	0.5
99.00893	9.7
103.65340	0.5
111.00891	9.3
113.02463	1.3
117.03487	1.1
119.05045	6.3
123.00903	5.1
136.98816	1.7
139.00394	7.7
140.01170	1.0
141.01956	100.0
142.02254	2.1
143.05063	1.1
153.01935	3.0
164.98308	3.1
181.01413	0.5
201.05688	0.5
266.02484	0.5
269.04532	5.3
287.05655	8.6
288.06015	0.9
304.71173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Ambotz529-53-3
Peak:m/z	Relative Intensity
59.52862	0.6
60.65776	0.6
60.97270	0.7
65.00328	32.9
70.12865	1.4
70.52010	0.6
82.03698	0.8
83.01383	0.9
83.40430	0.6
92.99826	5.4
93.00335	1.1
94.06325	0.6
96.99311	9.6
108.99348	1.8
111.00861	1.4
120.99345	3.9
124.01678	3.1
136.98811	22.9
143.05017	0.8
149.99567	1.0
153.01921	0.7
159.82713	0.7
164.98305	62.0
165.98625	1.8
171.04533	2.5
173.06065	2.7
177.99071	1.8
180.02930	0.7
181.01408	1.0
197.06029	1.2
199.04001	3.9
200.76703	0.7
213.05600	2.2
225.05499	1.5
226.40309	0.8
227.03481	2.0
239.61511	0.7
241.05046	5.2
243.06644	3.1
269.04565	100.0
270.04990	5.0
287.05466	8.0
288.05911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22827	0.6
65.00246	30.3
65.00626	3.2
67.01833	0.8
71.59709	0.6
77.73315	0.6
81.03403	1.5
83.01317	3.1
85.34067	0.7
92.99826	4.4
93.03400	1.3
95.01311	3.2
96.99339	6.7
97.29756	0.7
98.21825	1.7
108.99223	1.8
109.02875	1.0
111.00900	6.1
119.05032	20.2
120.05332	1.1
120.99277	3.6
122.27322	0.6
123.00794	2.1
124.01662	6.1
124.98686	0.9
129.89288	0.7
136.98816	26.0
137.02368	1.2
139.00385	15.6
141.01851	0.9
143.04922	1.6
145.02966	1.2
145.06581	0.9
147.04478	0.7
149.99512	0.8
152.01051	2.0
153.01952	26.8
154.02223	0.9
164.98296	56.2
165.98631	0.9
166.99863	13.2
169.06511	1.1
171.04547	4.5
173.02368	1.3
173.06024	3.2
175.03955	1.3
177.99071	1.6
181.01439	10.5
181.99713	0.8
193.01428	1.7
197.06049	1.0
198.03188	2.2
199.03990	5.7
201.01945	1.6
213.05554	1.4
225.05482	1.8
227.03444	1.9
227.29663	0.8
228.87091	0.8
241.05147	5.6
242.02132	5.5
243.02948	2.2
243.06586	5.2
259.06146	2.8
269.04562	100.0
270.04922	4.7
287.05640	51.9
288.05954	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	287.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61429	0.8
53.93600	0.8
55.38350	0.8
57.03456	6.9
63.02391	2.3
65.00329	11.9
66.24003	0.8
67.01897	1.8
68.99826	2.2
69.03207	5.2
69.03608	2.0
70.48994	0.8
77.48478	0.8
81.03440	2.0
83.01395	9.6
93.03461	3.6
95.01391	7.8
96.99305	2.0
106.36929	0.9
107.01405	3.5
107.05175	0.9
108.02187	1.4
109.02943	3.2
111.00914	9.2
119.05040	39.2
120.05377	1.3
123.00898	4.6
124.01683	8.5
125.02468	44.0
131.05057	1.5
133.02974	4.9
134.03751	0.9
135.00899	1.8
135.04520	1.0
136.01611	1.7
136.98830	12.1
137.02441	3.0
139.00392	29.0
143.05074	1.4
151.00389	7.3
152.01193	6.8
153.01958	51.2
156.05788	1.5
157.06593	1.9
159.04527	1.6
166.99881	26.5
171.04547	2.4
172.05316	1.1
173.06042	4.0
177.05576	6.6
178.99898	2.0
180.00630	1.9
181.01460	20.2
189.05634	1.7
193.01399	4.9
199.03938	1.8
199.07681	2.2
201.05640	5.5
213.05594	1.6
215.03531	1.5
215.07127	4.7
219.06648	1.8
225.05641	1.0
228.55414	0.9
241.05154	2.1
243.06593	7.7
259.06122	35.9
260.06458	1.3
269.04581	3.2
273.25833	0.9
287.02158	6.6
287.05634	100.0
288.05988	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67590	0.5
65.00327	8.8
67.01875	1.0
68.99828	1.9
69.14276	3.9
81.03481	1.3
83.01393	4.6
93.03481	3.0
93.12048	0.5
95.01395	8.8
96.99309	2.0
100.31058	0.7
108.02187	0.9
108.68198	0.6
109.03001	2.8
110.00098	0.7
111.00890	9.7
119.05037	43.1
120.05380	1.7
120.99358	0.8
123.00897	4.9
124.01665	8.6
125.02451	0.9
135.00900	2.0
136.01718	1.4
136.98816	14.0
137.02496	1.4
139.00385	28.9
141.01965	0.8
152.01176	1.8
153.01950	57.1
154.02318	1.6
164.98299	5.6
165.99141	0.6
166.99875	30.8
169.06628	0.6
171.04649	1.3
173.06087	1.9
180.00627	0.8
181.01445	24.0
182.01738	1.1
189.05576	1.0
193.01401	4.2
197.06241	1.0
199.03989	0.9
201.05566	2.2
215.07156	0.7
225.05569	1.4
241.05099	2.7
243.06650	2.1
259.06149	5.2
269.04568	9.9
287.05630	100.0
288.05957	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	287.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75360	0.2
57.03455	0.5
63.02408	2.5
65.00331	12.4
69.80757	0.4
83.01396	5.9
95.01433	0.2
98.22005	0.3
107.01403	14.9
107.05038	0.8
108.99348	0.3
109.02978	2.0
117.03500	1.2
125.02467	4.5
133.02977	0.8
134.03772	1.8
135.04541	100.0
136.04865	2.8
139.04008	0.3
151.00388	80.3
152.00717	2.2
159.04594	0.5
161.02469	0.6
165.01949	0.6
167.03499	0.4
169.01424	0.6
171.04596	0.2
177.01991	0.5
201.05548	0.3
215.03563	0.2
227.03430	0.3
259.06204	0.4
269.04593	0.6
287.02106	0.8
287.05618	11.5
288.05939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06171	4.5
59.01387	26.0
59.77075	4.9
61.98836	14.9
69.83289	12.3
74.02473	7.3
76.48593	5.9
78.95917	9.8
88.04057	5.7
98.21859	6.3
98.68545	5.4
103.04044	6.2
114.78047	4.6
125.02460	9.6
126.88325	5.2
127.05181	10.7
128.03589	12.1
130.08768	15.5
130.31673	4.6
131.08269	8.9
132.98111	5.0
144.99982	5.9
145.06216	21.2
159.01483	7.0
166.03668	5.0
168.01553	62.3
183.11447	6.3
187.10892	5.9
199.29987	5.1
210.02589	100.0
217.39716	4.7
227.05247	23.6
244.12743	5.1
258.14594	6.8
269.96365	7.1
287.05890	6.2
287.19022	9.4
288.15619	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	287.2233
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01373	0.7
65.00317	0.4
69.09251	1.9
78.95904	0.3
81.12216	0.2
81.22492	0.2
83.01385	0.3
95.05013	0.2
97.06587	0.4
99.08173	1.7
109.02982	0.3
109.06612	0.3
110.00088	0.7
111.00400	0.3
117.03487	0.6
119.05025	0.4
124.97877	0.3
129.09248	0.4
133.02969	1.0
139.00392	0.4
139.11240	0.4
141.12874	2.2
146.50157	0.2
150.89427	0.3
151.00407	0.4
153.01892	0.4
155.14449	0.5
157.24350	0.3
166.99811	0.6
181.01234	0.2
187.04030	0.4
211.20720	0.3
215.03528	0.5
223.20625	0.3
239.20149	0.4
241.21687	1.1
241.23923	0.3
243.17566	0.6
259.06305	0.3
269.21222	3.1
285.20715	1.8
287.01871	1.2
287.04904	3.1
287.22299	100.0
288.22650	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
63.86446	0.3
65.00333	5.8
66.00671	1.7
67.01884	1.5
68.99821	1.8
81.03008	0.4
81.03469	1.0
82.03817	0.6
83.01387	3.8
84.01716	1.8
93.03465	1.9
94.03800	1.3
95.01405	5.2
96.01730	2.3
96.99320	1.3
98.22684	0.8
99.00888	0.6
108.02206	0.6
109.03039	1.7
110.03291	1.4
111.00905	6.8
112.01246	3.9
117.03437	0.6
119.04156	0.5
119.05043	21.9
120.05378	23.6
123.00886	3.4
124.01772	4.9
125.01939	3.1
131.47707	0.3
135.00902	1.2
136.01382	0.8
136.98822	7.2
137.02428	1.4
137.99159	5.0
138.02797	1.2
139.00391	17.1
140.00732	11.8
141.01932	0.5
143.40523	0.3
145.03027	0.5
146.03340	1.0
146.06892	0.6
149.02205	0.4
152.01144	1.4
153.01958	31.6
154.02298	29.1
155.02411	1.4
160.04811	0.3
164.98256	0.5
165.98698	0.5
166.99887	17.3
168.00214	15.4
169.00388	1.0
170.07007	0.4
172.04823	0.6
173.06047	0.3
174.06410	1.0
181.01456	12.9
182.01802	14.0
182.06931	0.4
186.01196	0.4
186.17297	0.4
188.04343	0.4
189.05634	0.7
190.05942	1.5
193.01396	2.0
194.01797	3.0
198.06392	0.6
200.08006	0.5
201.05640	0.6
202.05974	1.3
214.05968	0.5
216.07455	0.8
226.05865	0.7
242.05434	1.9
244.06973	1.4
246.05092	0.4
260.06479	5.2
266.97531	0.4
270.04922	2.7
288.05975	100.0
289.03320	0.5
289.06262	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	288.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44389	1.6
58.39154	1.5
59.01387	11.8
60.30662	1.6
61.98832	2.2
62.58647	1.7
69.82903	2.3
69.83257	5.4
72.99330	2.1
73.04079	5.4
74.02483	15.7
78.95925	3.3
82.02991	38.1
88.04047	56.1
88.04598	3.1
95.19571	1.7
96.04563	78.5
97.04902	1.6
98.02500	1.7
98.22639	2.1
101.07217	4.2
124.04058	47.1
124.04982	2.5
125.04321	1.8
128.03542	4.7
129.23769	1.8
130.08754	2.6
131.08269	2.2
139.08777	4.0
140.07172	4.2
141.10344	3.3
142.04005	1.9
142.05122	54.3
143.11870	9.3
157.13469	7.3
168.03030	100.0
168.17761	1.8
169.03366	2.2
169.09836	12.3
186.04108	54.9
187.10910	3.0
199.10880	4.4
200.05467	1.5
200.14050	5.1
201.12518	2.2
214.15581	4.6
244.13013	12.8
258.14624	15.5
264.49695	1.9
270.92172	3.8
288.07230	3.6
288.15646	38.3
288.18433	2.2
289.06763	4.5
306.94260	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	288.077
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01387	8.2
61.57051	0.3
61.98839	0.7
66.03466	0.5
69.72632	0.7
72.00938	0.4
73.02938	0.4
74.02484	0.9
78.95908	0.7
82.06609	0.4
82.94622	0.5
84.04583	0.3
84.08204	0.5
85.98259	0.3
88.04059	1.4
90.97160	1.2
110.02499	0.3
117.01944	0.5
122.02525	0.7
126.93620	0.7
129.10353	0.3
130.08755	100.0
131.08289	0.3
131.09119	2.5
132.98218	2.3
141.98216	1.6
142.71617	0.3
156.91316	1.1
158.09334	0.8
160.97687	0.5
174.99248	1.0
184.97667	0.6
186.89105	0.3
187.98767	0.9
202.98808	0.5
244.05093	3.1
244.09451	0.3
244.13036	0.9
246.06583	3.1
288.07697	56.2
289.08026	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	288.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28366	1.0
59.01376	4.6
65.00325	3.7
66.00652	1.3
66.45642	1.1
72.99314	1.3
79.95737	4.8
80.96521	2.8
87.04521	84.9
93.03450	1.4
95.01410	2.0
98.06092	1.8
100.07705	12.4
101.10493	1.2
109.02995	1.2
111.00856	1.4
112.07697	55.5
113.08015	2.0
118.95496	1.1
119.05022	4.6
128.07188	100.0
129.07634	1.6
137.02527	1.5
143.05046	2.4
146.08249	26.4
147.04593	1.7
156.06674	27.4
157.06625	3.8
159.04544	1.5
165.09302	1.5
171.04489	2.3
172.04948	2.0
173.02464	2.1
173.06078	3.6
174.07724	80.6
175.04004	1.9
175.07993	2.5
183.02907	1.7
185.06062	1.5
189.02040	1.3
189.05518	1.7
199.03854	1.9
199.07608	1.2
200.04341	2.7
201.01852	2.7
201.05573	3.9
201.09254	4.2
216.12399	19.3
226.11700	1.5
227.07141	1.6
243.02609	7.2
244.03229	3.6
244.06570	1.9
244.11913	3.7
245.04568	3.3
245.08224	3.5
252.07455	2.8
270.04898	2.4
288.02475	1.9
288.05649	4.5
288.11160	5.1
289.03638	2.6
289.07269	6.4
289.10522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
66.56801	1.2
69.66443	2.5
83.05039	2.3
87.04527	79.3
88.04797	1.6
98.06126	2.2
100.07706	12.2
112.07703	59.2
112.08488	3.0
113.68611	1.4
128.07199	100.0
129.07535	2.1
146.08261	30.1
156.06677	21.7
174.07732	78.8
175.07988	2.1
178.41028	1.2
204.13307	1.2
213.63470	1.3
216.12428	19.7
243.02521	1.7
244.11868	3.4
245.11902	1.4
288.11020	3.2
292.54520	1.4
302.31879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1609
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.21096	0.3
54.99562	0.3
57.38153	0.3
60.22856	0.3
62.29249	0.3
63.41259	0.4
65.00317	1.4
70.48653	0.4
70.48978	0.4
81.03458	3.2
92.05058	1.0
93.03469	2.1
95.05109	0.3
107.03788	0.6
108.02215	0.7
108.04565	6.5
109.02964	7.0
120.94792	0.3
121.02950	0.5
134.02496	39.3
135.03305	10.9
136.04057	40.1
136.98779	0.8
137.02437	1.5
137.04388	1.3
137.99245	0.4
148.04059	0.6
149.04840	1.9
164.98309	1.1
165.98671	1.3
176.03539	5.0
177.04247	0.5
187.07753	0.4
190.05150	0.5
204.06584	0.4
245.40556	0.4
260.16705	0.4
270.04910	5.6
288.16074	100.0
289.16437	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	289.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82925	0.7
57.03447	0.9
59.01384	2.6
62.96392	0.9
65.00321	1.3
69.63304	1.5
69.63691	1.8
70.88824	0.8
71.01365	0.9
72.15256	0.8
74.96430	1.8
76.96159	1.2
78.95974	1.0
81.03470	5.7
83.01392	30.8
107.01412	3.7
109.02972	7.8
110.94119	4.9
111.00912	1.7
112.93822	23.8
117.03434	2.2
125.02464	6.9
131.05086	1.0
132.02199	2.8
133.02971	81.1
134.03352	2.4
140.41936	0.8
141.03456	1.2
145.06566	1.4
147.04520	1.1
151.00383	7.9
151.03992	1.2
153.01961	4.1
155.07201	1.1
161.02512	1.4
161.06119	3.3
168.94658	2.2
170.94402	1.0
171.04491	0.9
174.03267	4.0
175.04041	8.6
177.01959	4.5
178.99956	1.0
187.03932	0.8
189.05580	18.1
190.49385	0.7
201.05608	3.3
204.92281	6.1
206.92009	33.4
217.05074	100.0
218.05385	5.2
219.03033	1.4
245.04532	2.3
261.01382	1.1
261.04083	12.3
289.03598	2.5
289.07166	2.1
289.16568	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	289.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79169	0.6
54.23473	0.6
55.01874	1.8
57.03439	2.1
58.00593	0.7
58.84387	0.6
59.01386	12.0
61.98824	2.4
64.75785	0.6
68.02694	0.6
68.99803	1.3
69.72498	2.1
71.01389	20.1
72.00903	1.3
72.99310	5.4
74.99379	1.7
75.00879	12.8
76.57129	0.7
83.01391	1.6
83.02515	1.2
85.01481	1.2
85.02968	9.2
86.99364	0.9
87.00885	1.8
88.04009	0.8
94.04102	0.8
95.01414	1.0
98.99389	4.4
99.00896	5.3
101.00957	8.7
101.02460	1.3
102.01067	0.9
102.98879	1.8
109.04060	0.7
111.00861	1.7
113.00984	3.1
113.02461	3.7
114.98893	1.5
115.00333	0.8
115.02511	1.0
117.00457	9.5
118.00546	1.3
119.00190	3.7
119.00933	0.8
125.00955	9.1
125.02395	0.8
125.03554	1.2
126.98890	25.8
127.00308	1.1
127.02566	1.0
127.98957	1.0
128.03548	1.7
129.00430	1.1
129.01910	0.7
130.08708	0.9
131.02103	0.7
131.08257	3.7
131.09105	1.0
139.02530	0.9
140.85721	0.6
141.00458	10.9
143.02017	12.9
144.99980	3.8
145.05081	1.4
145.09854	1.4
145.99489	1.9
146.99632	4.4
147.02988	1.3
148.04382	1.5
153.00446	6.8
153.06715	0.7
154.98381	2.3
155.02026	2.6
155.99184	5.4
157.00011	1.1
157.03569	2.0
159.01515	2.5
161.01250	1.6
167.99146	1.2
168.99944	35.5
170.00098	2.2
171.01506	2.0
172.99495	3.4
173.10448	0.8
180.99968	0.9
183.01472	2.7
187.00977	1.0
189.00697	1.4
189.04083	1.8
196.99426	4.7
199.00983	1.8
201.02544	1.4
202.98734	1.9
207.05106	34.7
208.05421	1.2
212.02029	2.5
227.04068	1.0
243.03665	1.4
247.03104	12.6
248.03419	1.2
257.01443	1.5
261.01465	2.0
271.10611	0.7
289.01160	4.6
289.04163	100.0
290.04398	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	289.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73241	0.5
55.01900	1.1
57.03454	6.0
59.01381	4.4
59.25709	0.5
61.98834	3.0
67.01897	0.9
69.03446	0.8
71.01381	6.3
72.99305	2.4
73.02953	0.8
75.00878	33.9
79.95747	6.7
81.95324	0.7
83.01395	1.5
85.02960	23.6
86.00092	0.5
87.00896	1.6
88.01684	0.9
89.02444	0.7
95.01392	3.3
99.00890	2.0
101.02463	1.1
112.01646	0.5
113.02464	8.7
117.01944	2.0
121.70345	0.5
125.00949	1.1
126.98894	1.1
127.62513	0.5
128.03529	1.4
129.01924	1.6
131.03485	0.5
131.08340	0.9
133.01399	0.6
141.00462	0.9
143.01994	0.7
145.05069	2.5
147.03015	2.5
153.00499	0.5
156.99806	0.5
157.01436	1.5
157.34344	0.5
168.99944	2.1
176.20105	0.5
189.04070	5.3
204.08772	1.7
207.05106	100.0
208.05417	3.0
212.99965	0.5
247.03070	1.0
289.04050	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	289.0719
Annotation	griseophenone D
Peak:m/z	Relative Intensity
56.83410	0.5
60.66483	0.6
65.00330	29.6
66.00645	1.9
67.01883	0.9
68.99824	1.9
69.52278	1.4
69.52669	1.5
92.99848	0.7
96.99306	0.8
97.02956	100.0
98.03320	1.3
99.00912	0.8
101.04012	0.6
107.01414	1.2
136.98793	1.8
137.99091	0.7
138.99263	1.0
139.04024	88.9
140.04353	1.6
141.07088	2.2
164.98268	1.6
165.98651	2.1
166.98750	3.9
169.06577	7.3
171.04527	4.8
207.11703	0.7
213.05569	7.0
243.05577	0.8
245.08218	8.3
257.04590	2.3
268.61215	0.7
269.04620	2.2
271.05139	13.3
289.07196	25.1
290.07645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70516	1.3
57.03443	4.8
59.01385	2.4
65.00330	2.0
69.03470	2.1
69.52490	2.4
69.52885	3.4
71.01383	2.3
72.14883	1.2
81.03465	8.4
83.01389	20.5
89.86556	1.2
93.03470	3.3
95.05028	11.3
96.96009	1.2
97.02948	11.5
98.21935	2.3
99.04533	1.7
104.25554	1.3
107.01357	2.2
108.02186	1.7
109.02960	51.5
111.00887	1.8
113.07196	2.0
117.03474	4.8
121.02991	6.6
122.03755	3.3
123.04541	33.8
125.02464	33.7
133.02979	27.3
135.04539	3.8
137.02452	15.2
138.03246	1.6
139.04015	6.0
143.05128	1.8
145.02930	2.9
146.03722	3.1
149.02440	6.1
150.03177	3.1
151.00424	3.4
151.04024	16.2
157.06566	1.4
158.03702	1.5
159.04556	6.8
160.05281	3.5
160.12703	1.4
161.02441	4.0
161.06079	8.0
162.03267	2.0
163.04002	1.7
164.01134	6.0
165.01933	5.9
166.02608	1.6
167.03510	3.0
173.06029	2.2
174.03294	2.9
175.04028	5.2
175.07497	3.2
176.24786	1.4
177.05589	1.4
179.03517	12.4
185.06021	1.9
187.03979	8.0
188.04825	8.1
189.05574	3.4
201.05605	3.3
202.06317	4.5
203.07153	21.8
204.92357	2.2
205.05109	12.9
206.05664	1.5
206.92113	2.3
209.08170	2.9
217.05066	32.4
218.05441	1.6
221.08133	7.3
227.07143	4.1
229.30756	1.6
245.04533	2.7
245.08202	38.0
247.06079	2.6
261.04160	6.9
289.03897	4.3
289.07181	100.0
289.16321	2.9
290.07596	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	289.0722
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
57.03450	6.2
59.01372	2.6
60.00833	0.9
63.84149	0.9
69.03442	0.9
71.01379	1.7
81.03467	9.5
83.01394	21.5
85.13017	0.9
89.00674	0.9
93.03470	4.5
95.01373	1.1
95.05054	8.0
97.02966	13.2
97.43401	1.0
98.22685	2.3
99.04523	1.4
107.01405	1.9
108.02144	1.4
109.02961	59.1
110.94111	1.9
111.00942	0.9
112.93824	13.6
114.11196	0.9
115.04029	1.1
117.03481	1.7
121.02969	8.2
122.03755	3.2
123.04535	37.6
125.02456	33.4
132.02232	1.0
133.02968	43.1
134.03291	1.2
135.04529	3.8
137.02448	20.6
138.03244	1.3
139.04034	6.8
145.03021	2.9
145.06589	1.3
146.03763	2.9
147.04556	2.3
149.02448	8.7
149.06096	1.4
150.03200	2.7
151.00360	4.1
151.04021	16.1
153.01944	1.7
155.07120	1.1
159.04543	5.2
160.05321	3.1
161.02463	2.2
161.06079	9.0
162.03227	3.5
163.04002	2.4
164.01141	6.5
165.01976	6.8
167.03479	3.7
173.06116	1.9
174.03232	2.6
175.04041	7.5
175.07668	2.9
177.02031	1.9
177.05635	2.1
179.03523	11.7
185.06114	1.3
187.04025	10.1
188.04755	6.9
189.05556	9.3
199.07729	2.1
201.05646	3.3
202.06352	4.3
203.07155	20.5
204.07426	1.5
204.92300	3.1
205.05066	15.6
206.92000	15.5
212.04834	1.7
217.05074	47.1
218.05394	2.5
221.08209	7.3
227.07144	3.2
231.03043	1.3
245.08191	39.2
246.08598	2.8
247.06136	2.9
261.04065	4.1
289.07202	100.0
289.16257	5.6
290.07516	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	289.1447
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
51.89338	1.1
52.30308	1.1
55.01876	4.6
55.61134	1.1
57.03455	25.7
59.01394	2.1
69.03450	4.5
69.67290	2.6
69.67628	3.3
71.01405	1.3
76.82738	1.2
79.95757	1.3
80.02687	12.3
81.03457	2.3
83.05040	20.7
86.19441	1.4
91.05542	15.0
93.03461	7.5
93.07130	2.1
95.05051	1.6
97.06598	8.6
98.21960	2.6
107.05042	21.8
107.08660	2.9
109.06599	73.5
111.04572	1.4
111.08147	3.8
117.03457	1.5
117.07127	1.7
119.08646	6.0
120.05847	7.4
121.06590	3.0
123.08165	2.9
128.36444	1.4
131.08737	7.3
133.06599	3.2
134.07445	2.0
135.08179	21.8
137.09718	1.7
147.11806	4.7
161.09744	2.5
161.13377	2.9
162.32193	1.5
163.07692	2.8
168.45645	1.5
173.09790	2.9
175.11324	3.4
177.12738	2.3
183.11790	2.6
187.11258	3.6
199.14940	15.7
201.12859	4.3
202.13594	3.1
203.00458	1.5
215.14417	5.6
217.15981	100.0
218.16382	3.0
221.10675	1.4
227.14410	5.0
230.13022	1.6
243.13902	24.5
244.14377	1.6
245.15477	16.5
246.03534	17.5
261.14954	17.4
262.15302	2.0
289.09296	22.7
289.14484	82.9
289.17990	6.2
290.14832	5.9
297.10367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1448
Annotation	[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]- 5-[(Acetyloxy)methyl]-3a,4,4a,7,8,8a,9,9a-octahydro-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.30568	0.9
51.84690	1.0
51.99461	1.0
59.01366	1.8
61.98846	2.7
69.08730	5.9
69.09126	2.0
74.78653	1.1
81.41439	1.2
89.18067	1.1
92.02692	3.7
93.03468	8.5
95.01377	1.6
95.78043	1.1
106.04252	13.5
108.01470	2.3
108.02182	37.8
108.02918	1.8
113.79070	1.3
117.03477	95.7
118.03796	2.1
134.03755	47.7
135.04538	20.9
136.01624	1.1
161.02477	7.3
203.14426	19.4
245.15524	2.2
289.14481	100.0
290.14758	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	289.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45793	5.0
59.01394	11.7
69.79863	21.4
93.03474	14.2
96.51301	6.8
98.22511	8.9
109.06604	30.0
117.03472	15.4
119.04985	7.0
130.02977	6.6
141.28812	5.9
161.02446	12.0
203.95070	6.6
217.01437	7.3
245.11818	6.0
245.19128	13.1
256.54684	6.2
289.14514	44.0
289.18118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90283	1.4
57.97556	3.3
58.64109	1.6
59.01381	7.0
67.76590	1.4
69.48775	5.1
74.99114	1.9
80.96512	1.5
81.03458	1.9
83.01383	4.0
83.05032	1.7
87.11561	1.4
103.76742	1.3
104.68366	1.3
105.22719	1.4
109.25889	1.6
112.93771	2.0
118.98105	22.2
120.97692	3.8
130.08754	86.7
131.09062	1.9
133.02954	6.1
143.53296	1.5
155.64931	1.6
161.02502	1.6
171.15031	3.0
204.92235	2.7
206.91930	2.0
217.05101	6.2
220.78264	1.4
241.15514	2.0
261.03976	1.8
271.10843	4.3
289.15961	100.0
290.16205	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	289.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41888	0.6
55.01886	10.7
57.03452	8.2
59.01384	51.1
59.58449	0.5
60.04004	0.6
67.22121	0.5
69.03445	1.3
69.28989	1.2
69.29400	2.0
71.01389	100.0
71.05032	1.7
71.92912	0.6
72.01740	1.0
72.99313	1.4
73.02954	40.3
75.00883	1.4
81.07780	0.6
83.01395	15.4
84.02192	1.4
85.02959	52.1
86.03325	0.7
87.00426	0.6
87.00868	3.7
89.02463	7.1
95.01386	8.2
97.02982	1.9
99.00889	12.8
101.02454	64.4
102.02808	0.7
109.06529	0.6
111.00874	1.3
113.02460	42.3
114.02798	1.7
115.99623	0.6
119.03506	1.1
119.08698	0.9
125.02422	1.5
127.11301	5.4
129.01955	2.1
137.67955	0.6
140.50195	0.7
143.03548	2.0
159.03027	6.6
161.02528	1.3
161.04570	18.8
162.63869	0.6
193.12373	0.8
245.20818	0.6
248.13051	0.6
251.64778	0.7
279.79147	0.6
289.16672	1.9
294.20300	0.6
302.49380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	10.6
56.14585	0.9
57.03451	8.3
58.00593	0.8
58.21539	0.8
59.01388	49.8
60.01723	0.7
68.49326	0.7
69.03466	1.4
69.41535	2.3
69.41933	1.1
71.01390	100.0
71.05023	1.7
72.01729	1.4
72.99309	1.7
73.02954	38.6
75.00870	2.1
83.01401	16.9
85.02961	51.1
87.00880	3.0
89.02451	7.5
90.22419	0.9
93.03461	0.8
95.01403	8.7
97.02964	2.5
99.00889	14.9
101.02455	61.7
102.02792	1.5
111.00894	1.5
113.02464	39.4
120.48804	0.8
120.71021	0.7
125.02465	2.1
127.11317	5.1
129.01944	2.1
131.03534	0.8
133.03053	0.9
143.03484	1.2
159.02997	7.5
161.04584	15.8
217.01366	1.1
289.16800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03452	23.0
59.01380	8.1
64.42931	1.9
69.03463	100.0
70.03782	2.1
71.01383	6.9
72.00947	2.0
72.99317	38.2
78.10533	1.8
79.95745	4.3
80.96507	4.8
81.03435	2.0
82.02994	24.5
83.01390	7.8
84.31594	2.1
84.99300	2.2
85.02943	12.2
91.05553	4.3
93.03440	2.9
95.05013	2.2
96.96018	5.0
97.02958	45.1
98.02501	10.5
98.22646	2.8
99.00890	6.6
100.04040	2.7
111.03300	5.2
112.98824	16.2
113.02459	78.3
118.06656	2.9
119.05013	8.9
121.02987	3.3
121.06633	3.0
123.04537	2.3
126.02022	4.0
127.00396	4.1
129.07115	5.3
131.05069	12.9
135.04532	3.9
141.01947	27.1
141.07097	2.6
143.05058	5.5
145.02951	2.3
145.06602	9.3
147.04550	18.6
149.06142	3.0
157.06586	41.8
159.04535	9.5
159.08177	15.4
160.05315	2.8
161.02472	5.3
161.06114	6.0
164.07135	12.5
165.05588	6.9
171.04463	2.9
173.06062	5.3
175.04039	4.0
175.07677	11.0
177.05618	4.9
184.07660	8.5
185.06102	17.1
185.09671	2.0
186.09209	2.8
187.04068	4.7
188.04807	8.8
189.05565	4.1
201.05592	64.0
202.08731	7.1
203.03531	3.2
203.07144	28.8
203.10846	6.1
219.03014	3.7
219.06624	14.3
219.10237	2.0
229.05206	4.3
230.08231	5.8
246.07759	31.7
247.06100	38.8
247.09790	8.8
273.04047	4.3
274.07361	12.4
291.05191	23.6
291.08807	58.1
291.12247	3.8
292.08548	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94475	1.6
55.29093	1.6
59.01382	9.7
59.89100	1.7
61.79752	1.7
61.98828	15.4
62.99152	1.9
65.81278	1.6
66.91123	1.9
69.44553	1.8
69.47473	8.2
71.01387	8.7
72.99285	3.4
73.02985	2.4
75.00871	4.8
78.95905	6.2
80.96505	2.9
85.02959	4.8
92.96030	3.7
93.82874	1.9
94.70950	1.7
96.95989	2.1
98.22630	3.9
101.02452	3.3
101.96037	2.6
109.02932	2.3
111.00888	3.2
113.02456	2.4
116.97141	3.4
119.00211	1.9
128.98618	3.8
129.95517	1.8
130.82858	1.7
131.08270	16.3
135.04510	2.1
137.02483	2.1
142.57307	2.5
145.01808	3.1
147.04512	2.2
147.96577	28.0
148.96756	3.5
159.01854	2.5
160.98671	2.2
167.98206	4.5
168.01820	5.1
169.09445	2.1
170.99738	7.4
172.01044	3.9
172.43398	1.8
180.68303	1.8
184.01332	2.3
185.01430	2.0
187.83766	1.9
188.04512	4.0
190.01318	8.5
192.96104	1.8
196.01326	2.4
196.05794	1.9
207.03610	4.2
207.05170	7.9
214.02406	100.0
215.02518	8.3
231.05063	71.8
232.05206	6.9
236.94698	2.7
238.06873	6.5
249.03075	3.5
249.05772	2.1
286.63297	2.0
291.03983	20.8
291.19470	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	291.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08102	0.1
59.22552	0.1
59.96721	0.2
60.97516	0.5
74.99075	1.7
86.97166	0.1
93.00150	0.6
115.77769	0.1
121.02973	0.2
124.11828	0.1
134.99384	0.2
136.97342	0.1
143.05354	0.3
149.00960	2.3
150.98918	0.1
151.03987	0.1
154.99983	0.1
161.06430	1.0
192.98157	1.3
199.04086	0.4
206.99757	0.4
209.01277	4.8
210.01329	0.4
210.99316	0.2
217.07242	2.1
225.00806	0.4
261.04346	0.1
263.03363	0.2
275.06049	0.6
289.07602	2.7
290.07736	0.3
291.09128	100.0
292.09253	8.8
293.06982	0.2
309.10156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29213	0.3
59.01387	0.4
59.96722	0.3
60.97503	0.4
65.00349	0.5
69.71907	0.8
74.99084	1.1
83.01372	0.4
93.00153	0.7
103.01484	0.2
112.98818	0.4
116.92869	0.3
121.02980	0.8
143.05254	0.3
149.00963	2.3
149.02151	0.3
157.57356	0.2
161.06404	1.0
183.25496	0.2
192.98181	1.4
199.04063	0.9
206.99696	0.6
209.01297	4.4
209.04509	0.5
210.01202	0.3
217.07201	2.2
225.00803	0.6
233.04549	0.5
247.02548	0.3
263.03308	0.6
275.05948	0.6
289.07565	2.5
291.09119	100.0
292.09219	9.5
309.10193	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	291.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51096	1.1
55.01876	4.1
57.03445	4.9
58.94333	1.0
59.01387	100.0
61.98830	1.2
67.05527	3.8
70.02999	1.4
70.49113	2.2
71.01391	72.2
72.01718	1.2
72.99310	2.8
73.02962	15.6
73.04070	4.6
75.00869	3.1
78.95903	1.9
83.01386	8.9
84.02174	1.1
85.02959	24.1
87.00893	4.1
88.04048	1.3
89.02456	46.9
95.01382	3.8
99.00908	6.7
100.06681	1.2
101.02459	58.7
106.04916	1.2
111.04483	1.4
113.02467	28.9
118.96580	1.2
119.02676	1.6
119.03521	23.1
126.06677	1.3
127.05178	2.5
129.01897	1.1
129.05583	2.4
131.03543	2.3
143.03551	2.9
144.07822	2.3
147.04544	1.7
159.02988	3.3
161.04594	14.8
164.07187	5.4
179.05669	1.9
247.11887	14.2
290.98865	1.4
291.10913	23.2
291.19687	2.1
292.13162	9.9
311.49097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.8
65.00327	0.9
69.25365	1.1
69.25774	2.9
83.01399	1.5
85.02956	1.6
85.69865	0.8
89.02440	1.4
91.04003	1.7
93.03471	0.8
109.02991	0.8
109.60497	0.8
125.09740	2.3
127.11319	3.2
133.02954	1.7
137.09709	5.1
149.09583	0.8
151.00421	1.8
151.04041	0.7
153.09244	2.4
155.10793	62.2
156.11143	2.3
166.30228	0.8
171.10284	66.8
172.10614	2.5
199.09782	21.5
217.10822	68.5
218.11195	2.3
291.14536	100.0
292.14819	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	291.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26365	1.6
59.01385	100.0
64.09822	1.4
71.01392	5.8
71.11969	1.4
71.41528	1.6
72.99314	3.1
73.02959	3.0
73.42248	1.5
83.01376	1.7
85.02953	3.7
87.70712	1.2
92.21632	1.2
95.01434	1.4
101.02453	5.5
103.26711	1.4
113.02470	2.1
135.03014	2.1
148.04105	1.5
161.04626	3.6
176.02408	1.4
177.48152	1.4
219.03008	2.2
249.13483	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	291.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.39380	5.2
71.01392	7.2
72.99316	5.7
73.02943	3.2
73.25855	1.3
75.90549	1.4
79.95757	1.4
83.01389	1.7
85.02964	4.3
89.11358	1.2
93.03471	3.4
98.22631	2.8
101.02441	6.4
113.02480	2.9
133.02992	1.3
135.03012	3.5
148.04123	1.3
151.04080	2.3
157.28682	1.3
161.04584	1.4
175.03812	1.5
219.02916	2.0
225.81674	1.4
249.13423	9.8
291.19513	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	291.1816
Annotation	1-Octyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01887	12.2
57.03461	7.3
58.00582	1.2
59.01384	86.7
69.32112	1.1
69.35535	4.8
71.01388	94.2
71.51514	1.1
72.99315	2.6
73.02953	43.5
75.00871	2.4
78.74976	1.0
83.01392	23.1
85.02959	52.8
86.00108	3.5
87.00885	4.5
88.63435	1.0
89.02441	8.1
93.03494	2.8
93.78707	1.2
95.01404	7.2
97.02966	1.9
98.21949	2.2
99.00896	15.1
101.02453	100.0
111.00913	2.3
111.19278	1.3
112.98869	1.3
113.02459	41.9
113.27796	1.1
119.03521	2.3
125.02453	2.3
127.11308	2.2
129.01947	2.2
129.12807	1.9
143.03482	3.9
151.04033	3.2
154.60703	1.2
159.02977	7.8
161.04568	24.5
176.60689	1.2
182.15950	1.0
199.13455	2.1
202.46437	1.1
219.03032	6.8
230.72523	1.1
289.70929	1.0
291.01297	1.6
291.18118	12.4
292.18829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.03433	0.2
59.01375	0.1
59.98513	0.2
61.63790	0.1
65.00314	0.2
69.03471	0.4
71.01397	0.2
71.05023	1.0
83.05018	0.2
84.02163	0.1
93.03473	1.5
93.07092	0.3
94.04272	0.4
95.05064	0.1
97.06559	0.3
98.03728	0.3
99.00877	0.2
107.05041	0.2
107.08657	0.1
109.06590	0.2
111.08118	0.1
112.98814	0.7
117.03469	0.3
117.04634	0.1
119.05053	0.6
119.80090	0.1
120.05817	0.4
120.98830	0.2
121.02950	0.3
121.06605	0.6
123.04509	0.1
123.08154	0.2
124.00745	0.1
126.05629	0.3
133.02957	0.2
135.04517	0.2
135.08180	2.8
135.11797	0.1
136.08536	0.1
137.02435	0.3
137.09741	2.9
138.10036	0.1
141.01944	0.1
145.02911	0.1
147.04515	0.1
149.02451	0.2
149.09737	0.9
149.13379	0.1
151.04021	1.5
152.04263	0.1
159.03004	0.1
159.08189	0.1
160.09023	0.1
163.03964	0.1
170.99355	0.1
171.08093	0.1
173.02431	0.1
173.09711	0.3
173.13347	0.3
175.04008	0.2
175.11316	1.7
176.11798	0.1
176.45988	0.1
177.12735	0.2
185.77487	0.1
187.11310	0.1
189.12856	1.3
190.13275	0.1
191.03511	0.4
191.14441	4.5
192.14780	0.3
203.14445	0.2
219.02991	2.9
220.03322	0.2
227.14200	0.1
227.18057	0.2
229.16005	0.9
230.16385	0.1
231.17526	0.8
244.57710	0.1
245.19122	11.5
246.19493	0.8
279.10422	0.1
289.18188	0.1
291.01654	0.4
291.19690	100.0
292.20023	7.3
292.23453	0.1
309.20584	0.1
313.87567	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	291.197
Annotation	12-OPDA
Peak:m/z	Relative Intensity
56.48178	0.8
59.01367	2.5
65.00303	0.8
65.47004	1.0
70.64618	1.4
73.58903	0.9
75.19122	0.9
83.01397	1.2
112.98827	1.5
145.02982	1.1
148.08995	1.4
150.10489	1.3
165.12856	21.1
176.12022	1.0
177.12758	1.0
199.04007	2.4
236.85156	1.0
247.20703	9.4
251.18538	0.8
255.10855	0.9
263.03247	2.0
273.18774	5.0
291.19678	100.0
292.20117	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	291.1969
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.02070	1.1
51.53586	1.3
59.01384	3.7
65.62635	1.4
68.39961	1.3
69.11617	4.6
69.12040	4.8
83.01411	2.9
96.96065	1.7
97.06583	2.8
98.22623	2.9
103.01436	1.6
112.98806	2.0
119.05009	1.4
119.33340	1.3
121.02940	2.1
121.10251	14.6
125.09673	7.5
147.08109	1.4
151.04031	1.4
185.11829	17.5
197.11838	4.3
199.03993	4.2
211.13435	2.8
247.13353	2.5
247.20811	2.0
263.03278	4.1
281.86133	1.4
291.01407	1.5
291.19672	100.0
292.20038	7.6
299.55368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66967	0.4
57.03434	0.6
58.05185	0.4
59.01382	3.4
59.71977	0.4
61.98830	0.5
64.57190	0.4
71.13883	0.6
74.07251	0.4
78.19009	0.4
80.02694	0.8
81.03455	1.0
83.01382	0.6
83.05011	0.6
88.91348	0.4
95.05038	0.4
97.06593	0.4
109.06639	0.5
111.08189	0.9
117.03487	0.9
119.05030	0.9
119.08659	3.3
121.02969	1.2
121.10229	0.9
123.08179	0.6
125.09721	0.6
125.87327	0.5
137.09778	0.9
139.11324	0.7
145.02972	1.6
147.08138	0.5
148.08946	0.7
149.09709	0.4
151.04053	0.6
151.11299	3.2
153.12859	1.5
154.99831	0.5
156.13887	1.0
163.11247	0.5
165.12852	1.0
171.10306	2.8
175.11324	0.8
177.12868	1.1
179.14394	1.0
184.99173	0.4
185.11873	1.3
193.15973	0.5
195.13928	0.5
197.11806	0.6
203.14474	0.5
209.11806	0.5
219.03036	1.0
219.17508	0.6
229.19652	1.0
231.10271	1.1
237.14935	0.7
247.16896	0.5
247.20685	6.5
248.20882	0.7
263.20142	1.6
273.18594	4.9
274.18985	0.6
291.19684	100.0
292.16711	0.7
292.20004	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.0
59.01371	0.9
67.05534	0.4
69.03467	0.8
69.55711	1.7
69.56059	0.6
70.11752	0.3
76.89316	0.4
78.84973	0.4
93.07086	1.2
97.06596	2.1
98.21822	0.5
111.08203	2.2
114.37667	0.4
121.10252	13.0
122.10591	0.4
123.08127	1.0
125.09747	5.9
141.12885	0.7
147.08185	0.5
171.10248	0.6
185.11850	13.7
186.12251	0.5
193.16061	0.4
195.13924	1.8
197.11864	3.0
209.11874	1.9
211.13382	1.8
223.13409	0.7
223.30112	0.4
247.13531	0.4
247.20706	1.3
273.18600	1.5
275.07278	0.4
289.18173	0.5
291.19681	100.0
292.20044	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	292.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
55.20380	0.5
57.03450	6.7
59.01384	4.2
61.98835	80.8
64.01412	0.5
71.01388	4.4
72.99298	1.0
73.02935	0.9
75.00881	40.4
83.01410	1.8
85.02955	30.8
86.00143	0.9
87.00906	1.1
88.01695	0.9
95.01381	3.2
99.00905	1.2
113.02454	10.1
117.01964	1.4
127.88716	0.6
129.01938	2.6
145.05089	2.8
147.03009	3.6
157.01427	2.2
180.91174	0.5
189.04042	6.2
207.05112	100.0
208.05487	3.9
292.02893	25.6
293.03183	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	292.029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35596	0.8
55.67897	0.8
57.03448	5.1
59.01387	5.9
61.98835	83.9
69.03456	0.8
69.96236	2.5
71.01390	5.4
72.99297	1.2
75.00877	39.5
78.95911	16.5
83.01379	2.1
85.02957	28.7
88.01652	1.1
95.01405	3.0
96.96026	16.7
96.96964	26.6
98.22546	1.1
99.00895	2.8
113.02477	11.4
129.01942	3.0
131.08282	15.4
136.94025	1.2
145.05092	5.3
147.02969	2.4
148.96773	0.9
157.01451	2.1
171.36334	0.9
173.10474	8.6
189.04050	7.0
204.07463	0.8
207.05116	100.0
208.05467	3.1
215.02554	1.9
232.04933	1.2
258.30975	0.8
292.02820	25.4
293.03418	0.9
293.06409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.4
55.53941	1.9
57.03449	3.3
57.38565	2.3
58.21455	2.1
59.01384	18.1
67.01889	2.7
69.03471	4.4
71.01385	5.0
72.00922	6.0
72.04546	4.1
72.99324	9.1
73.02928	3.0
79.95749	3.3
80.96513	5.1
82.02993	78.2
83.01392	16.5
84.04530	10.9
85.02952	5.2
87.00899	3.4
88.41818	2.2
91.05547	7.8
94.02985	7.8
94.06693	2.0
94.73828	2.0
96.31169	2.6
96.96038	2.3
97.02927	3.0
98.02488	31.2
99.00890	4.8
100.04069	15.3
103.80582	1.9
104.83461	2.4
110.02452	3.2
111.03299	17.1
113.02438	4.5
118.06642	6.5
119.05029	3.8
121.06534	2.9
123.15721	2.6
126.01955	7.6
127.00391	10.2
131.05032	4.9
133.06610	2.8
141.07007	2.2
145.57265	2.3
147.04524	39.2
147.08165	2.6
148.04924	2.2
156.08185	2.3
157.06583	3.6
159.08150	6.1
161.06058	14.5
161.09749	7.7
164.07184	42.9
165.05580	13.6
184.07701	26.2
186.06648	3.3
186.09288	14.7
187.03992	3.0
187.07623	6.3
189.05472	6.7
189.09308	2.5
202.08740	24.7
204.07030	2.6
204.10947	2.9
205.05124	7.8
205.08632	12.0
205.12311	5.6
219.06534	3.6
230.08217	22.8
231.03099	2.6
246.07729	100.0
247.08107	4.5
248.06360	9.8
248.09465	6.6
248.13719	2.5
249.07695	8.0
249.11398	9.0
274.07260	34.4
292.05499	4.2
292.08823	30.0
293.03275	4.4
293.06802	13.9
293.10410	14.3
293.13681	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	292.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.4
55.53941	1.9
57.03449	3.3
57.38565	2.3
58.21455	2.1
59.01384	18.1
67.01889	2.7
69.03471	4.4
71.01385	5.0
72.00922	6.0
72.04546	4.1
72.99324	9.1
73.02928	3.0
79.95749	3.3
80.96513	5.1
82.02993	78.2
83.01392	16.5
84.04530	10.9
85.02952	5.2
87.00899	3.4
88.41818	2.2
91.05547	7.8
94.02985	7.8
94.06693	2.0
94.73828	2.0
96.31169	2.6
96.96038	2.3
97.02927	3.0
98.02488	31.2
99.00890	4.8
100.04069	15.3
103.80582	1.9
104.83461	2.4
110.02452	3.2
111.03299	17.1
113.02438	4.5
118.06642	6.5
119.05029	3.8
121.06534	2.9
123.15721	2.6
126.01955	7.6
127.00391	10.2
131.05032	4.9
133.06610	2.8
141.07007	2.2
145.57265	2.3
147.04524	39.2
147.08165	2.6
148.04924	2.2
156.08185	2.3
157.06583	3.6
159.08150	6.1
161.06058	14.5
161.09749	7.7
164.07184	42.9
165.05580	13.6
184.07701	26.2
186.06648	3.3
186.09288	14.7
187.03992	3.0
187.07623	6.3
189.05472	6.7
189.09308	2.5
202.08740	24.7
204.07030	2.6
204.10947	2.9
205.05124	7.8
205.08632	12.0
205.12311	5.6
219.06534	3.6
230.08217	22.8
231.03099	2.6
246.07729	100.0
247.08107	4.5
248.06360	9.8
248.09465	6.6
248.13719	2.5
249.07695	8.0
249.11398	9.0
274.07260	34.4
292.05499	4.2
292.08823	30.0
293.03275	4.4
293.06802	13.9
293.10410	14.3
293.13681	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	292.0863
Annotation	TRIADIMEFON
Peak:m/z	Relative Intensity
52.95629	0.1
59.01376	0.1
62.82316	0.1
66.00979	0.3
68.02543	100.0
69.02267	0.4
69.02879	0.8
69.69022	0.2
69.69380	0.2
70.22349	0.1
91.30201	0.1
93.87359	0.1
93.87542	0.1
101.08846	0.1
111.00098	0.2
119.08691	0.3
120.09035	0.2
121.10294	0.2
125.09792	0.1
126.99569	2.4
135.72586	0.1
152.08331	1.3
171.10269	0.2
172.10568	0.2
178.01727	0.1
181.08633	0.1
185.11813	0.2
211.05328	0.1
220.14708	0.2
221.15498	0.6
234.00774	0.2
235.01611	0.2
236.10632	0.4
273.18695	0.1
274.19086	0.2
291.19656	0.8
292.08749	0.5
292.20020	1.7
293.11862	0.1
293.17773	0.1
293.21173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1147
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
59.01385	65.6
61.71972	1.3
63.62190	1.7
67.03020	1.5
69.46696	6.0
71.01385	27.5
71.94202	1.4
72.00916	8.8
72.99290	1.4
73.02919	3.2
73.04089	6.2
73.81360	1.2
78.95923	6.1
82.03008	4.2
83.01397	1.7
84.04545	3.3
85.02956	8.0
85.06610	1.4
87.00889	1.5
89.02449	21.8
89.02950	1.8
91.05552	22.4
95.01427	1.7
99.05659	1.5
101.02460	15.8
101.07216	18.2
109.04086	14.7
112.04045	1.9
113.02464	8.6
113.06132	2.3
114.01976	1.7
119.03528	12.6
120.04586	2.6
127.05152	66.2
128.03548	8.5
129.05582	2.0
129.10391	1.7
131.03542	1.9
131.07176	4.6
143.03549	1.6
145.06236	2.6
147.04539	32.9
152.91840	3.2
164.07179	100.0
165.07532	2.5
171.86708	1.4
181.91751	1.8
182.11514	1.5
194.92690	2.9
205.13490	3.8
214.08748	3.9
231.11537	5.1
249.12453	2.4
251.11464	2.8
275.10406	62.2
276.10800	5.0
293.07986	2.3
293.12201	56.9
294.12546	2.4
312.69379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66839	1.0
56.83260	1.2
58.02977	1.1
58.97882	1.1
59.01373	6.5
70.02972	1.7
71.01380	3.5
71.40464	1.0
72.00915	3.8
73.04079	46.9
78.95929	1.1
82.02985	1.6
83.01389	1.9
85.02940	1.5
89.02478	2.8
91.05550	10.1
95.01411	1.1
96.96079	1.8
97.04082	15.6
98.02495	5.8
101.02449	2.5
104.24753	1.2
112.04075	1.6
113.02467	1.4
115.05148	89.4
118.06693	6.3
125.02479	1.5
127.05129	2.6
128.03535	1.7
135.04532	1.2
136.07704	1.4
147.04538	23.3
164.07187	58.4
165.07501	1.8
177.10349	21.7
189.10252	2.6
219.11514	2.8
231.11377	1.9
243.73347	1.1
263.10391	100.0
264.10660	4.9
275.10400	1.6
278.75946	1.3
293.07205	3.0
293.11343	20.3
293.21237	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	293.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72241	0.4
55.01889	1.6
57.03449	2.2
58.00592	1.1
59.01385	100.0
60.01715	0.9
61.98831	3.5
63.50278	0.5
65.22697	0.4
70.04086	1.0
71.01389	56.3
72.01704	0.7
72.99321	2.7
73.02953	6.5
73.55270	0.4
75.00898	0.6
78.95912	21.8
79.95743	1.4
80.93043	0.5
83.01420	3.6
83.06183	0.5
85.02962	15.6
87.00883	2.8
89.02454	58.8
95.01405	4.2
96.96040	59.5
96.96992	21.3
97.02959	0.6
99.00885	1.1
101.02455	35.9
101.06097	0.7
102.02776	0.7
113.02464	21.6
114.84687	0.4
118.96909	0.7
119.03518	23.8
122.06213	0.7
125.02473	0.8
129.01936	0.6
131.03578	1.7
131.07220	2.4
131.08264	14.6
131.95303	0.6
136.94029	10.6
143.03468	2.8
144.12845	0.5
145.94136	0.9
149.04623	1.6
149.96326	4.6
152.07234	1.9
152.91869	0.6
159.03078	1.6
161.04578	8.0
161.05849	0.6
169.97943	0.6
170.01587	0.6
171.01897	0.5
173.10458	5.9
173.11644	0.5
179.05658	3.3
190.04260	1.1
192.01022	1.1
196.05840	3.5
209.03825	0.7
216.02127	15.3
217.02417	1.0
230.01965	0.8
231.11581	0.7
232.03481	1.1
233.04779	10.8
238.06883	1.0
240.06596	0.5
251.02147	1.0
257.03024	0.6
258.01431	6.4
258.98911	0.7
275.04007	3.4
276.01639	9.1
277.59805	0.5
293.03876	3.4
293.06848	1.6
293.12469	4.4
294.12616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66570	0.6
55.01854	1.0
58.00598	0.7
59.01384	49.9
69.24010	4.0
71.01386	22.3
72.99293	1.2
73.02949	1.1
83.01404	2.7
85.02956	4.3
85.06599	15.5
86.06934	0.8
87.00870	1.5
89.02454	20.8
95.01399	2.1
96.96040	1.5
101.02445	13.9
108.46835	0.7
111.00885	0.9
113.02458	8.5
113.06090	5.1
115.07655	2.1
119.03500	8.1
127.07648	2.1
129.05702	0.7
131.07149	65.1
132.07405	1.6
161.04453	0.9
167.03557	0.9
173.08229	2.0
179.05678	1.4
217.99699	0.7
242.88992	0.8
249.07587	0.9
293.12460	100.0
294.12698	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62724	0.3
57.87998	0.3
66.24026	0.4
69.11420	1.4
69.11827	0.5
71.01390	7.2
103.59469	0.3
118.71057	0.3
148.05334	1.3
164.08438	1.4
177.09232	5.7
192.09813	0.4
192.11580	6.2
193.12083	0.7
205.12341	8.2
206.12799	0.4
217.08673	0.6
218.09415	1.8
220.14703	47.4
221.15475	100.0
222.15823	5.6
236.10558	65.5
237.10947	3.9
257.83884	0.3
293.17615	6.5
293.20825	0.5
294.17734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18314	1.9
71.01383	0.5
79.95728	2.2
85.30360	0.4
96.96022	100.0
107.27752	0.3
124.54719	0.4
136.09019	0.6
156.75858	0.4
157.15448	0.4
177.09196	0.4
192.11671	0.7
193.15981	1.1
220.14743	2.1
221.15472	5.8
236.10541	3.2
258.55508	0.4
293.17953	84.5
294.18280	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92918	0.3
57.03440	1.4
59.01384	0.4
68.84898	0.5
69.25559	2.4
79.50156	0.4
96.96002	0.8
97.06598	0.9
117.83577	0.5
123.08150	1.0
125.09733	4.6
140.11871	0.4
141.12891	1.4
149.09726	1.7
171.10179	0.4
177.12689	0.5
185.11827	8.8
186.12057	0.4
192.11607	0.6
193.15993	0.7
197.11862	2.1
220.14735	0.8
221.15538	3.1
226.15450	0.4
236.10513	2.0
249.22217	0.6
261.52530	0.4
275.20026	0.7
293.21243	100.0
294.21570	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01382	1.6
61.98830	0.9
69.03442	0.5
69.20976	2.1
70.73834	0.4
71.01379	1.1
79.95723	1.0
83.00581	0.4
92.92769	0.6
96.96007	0.7
104.33521	0.4
109.20738	0.4
123.08186	0.9
136.08945	1.6
139.11311	1.1
145.43481	0.3
151.11362	2.6
153.09225	0.6
153.12827	0.7
164.71347	0.3
169.12389	2.6
171.10159	0.4
177.12851	0.5
179.83804	0.4
192.11591	1.5
193.15979	3.3
197.11842	28.9
198.12180	1.2
205.12294	0.8
211.13315	0.5
220.14685	5.2
221.15469	10.0
222.15694	0.5
231.21193	1.1
236.10535	6.1
237.10905	0.6
249.18655	1.2
249.22192	0.8
275.20190	17.4
276.20612	0.5
293.21228	100.0
294.21539	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.2
65.43303	2.0
69.10531	4.8
69.10933	9.3
116.52500	1.8
121.10249	55.5
125.09698	3.2
165.93353	2.2
171.10291	100.0
172.10640	3.0
185.11839	5.9
231.21205	5.5
275.20181	96.7
276.20541	9.9
293.21277	61.5
294.21579	5.5
298.58685	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62501	0.6
57.03453	4.8
59.01372	2.4
69.99192	1.5
71.21436	0.5
75.32356	0.5
97.06562	1.2
113.09739	17.5
121.10242	6.7
125.09765	1.0
139.11314	1.8
149.09697	0.7
167.10780	1.2
171.10292	14.6
172.10614	0.6
177.12851	1.1
179.10831	1.1
185.11845	1.7
195.13921	2.2
197.11815	0.8
221.15535	1.0
231.21239	1.2
249.22224	2.1
275.20178	17.3
276.20413	1.3
293.21249	100.0
294.21564	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
69.19758	3.8
94.50809	0.6
97.06586	0.9
106.62527	0.6
123.08178	1.2
124.39859	0.6
125.09739	4.8
130.75670	0.6
136.76031	0.6
141.12874	1.5
149.09682	2.3
185.11850	9.9
186.12180	0.8
197.11841	2.7
243.63536	0.6
293.21265	100.0
294.21646	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
64.73580	0.9
69.37408	4.2
71.01398	1.0
83.35753	0.9
89.87038	0.8
90.92759	0.8
98.21925	2.1
110.13918	0.9
113.15845	0.8
120.82076	0.8
124.78800	0.9
179.14401	1.6
192.34508	1.0
195.13898	14.0
196.14641	4.3
205.12457	1.3
223.13426	12.2
224.13968	1.5
231.21304	1.1
236.95744	1.0
256.13120	4.4
273.45096	0.9
275.20190	10.7
293.21252	100.0
294.21555	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42254	0.3
57.03452	6.7
59.01382	2.3
69.03442	0.3
71.01369	0.4
71.06494	0.4
83.05029	0.4
85.06603	0.6
95.05012	0.3
97.06596	1.2
109.06605	0.6
113.09737	24.2
114.10061	0.5
123.39869	0.3
125.09734	0.4
129.74521	0.3
135.11815	0.7
139.11299	2.4
149.09755	0.6
153.09256	0.4
165.12851	0.4
167.10800	2.4
175.91040	0.3
177.09300	0.4
177.12827	1.3
179.10806	2.2
192.11401	0.4
195.13899	3.8
195.17435	0.4
220.14754	1.8
221.15465	4.3
221.19011	0.3
223.70386	0.3
236.10513	2.3
249.15289	0.3
249.22267	2.3
275.20078	0.6
293.21246	100.0
294.21582	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	294.0988
Annotation	Prunasin
Peak:m/z	Relative Intensity
59.01390	9.5
71.01391	16.2
71.19096	1.7
73.02953	5.5
83.03506	1.5
85.02959	6.2
85.40469	1.5
92.05080	4.1
93.04578	2.1
94.02994	10.2
95.01420	1.6
99.00882	3.0
101.02460	10.5
113.02459	8.9
114.83084	1.4
115.00371	2.1
128.03590	3.3
131.03790	100.0
132.04573	44.8
133.01453	4.7
133.04968	2.0
135.04559	2.1
144.04550	5.4
152.41934	1.4
158.06100	4.1
159.03032	1.9
161.04546	10.4
174.05653	10.9
186.05618	3.0
199.07227	1.9
208.91641	1.8
290.03629	1.5
294.15518	1.5
295.08459	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0614
Annotation	3'-Methoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.15036	0.3
51.39024	0.3
61.97898	0.2
65.00339	0.3
66.18592	0.2
69.15549	0.5
69.15952	1.1
73.74102	0.3
76.05415	0.2
83.57767	0.3
98.16968	0.3
105.79567	0.3
108.20097	0.3
108.34419	0.2
109.54545	0.3
115.69582	0.3
116.02694	0.9
117.03475	100.0
118.03809	3.5
119.05041	1.7
123.10735	0.2
145.02957	0.5
175.04021	9.5
175.99933	0.5
179.05008	0.3
180.36800	0.3
181.34090	0.3
193.49361	0.3
195.04559	0.5
207.04524	0.8
208.05278	0.5
211.03963	0.3
219.04520	0.5
234.03220	0.7
235.04039	4.6
236.04782	1.2
257.72006	0.3
263.03500	1.1
267.06561	0.5
288.46347	0.3
295.06140	84.8
296.06491	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03460	2.0
57.85281	0.6
58.00616	0.8
59.01386	99.6
60.01712	0.9
60.22245	0.6
61.98828	5.2
70.12045	1.0
70.12376	1.4
71.01391	48.2
71.05020	0.7
72.01731	1.0
72.99321	4.7
73.02959	3.0
74.02468	0.7
75.00873	1.7
78.95920	6.6
83.01421	1.9
85.02956	9.5
87.00880	3.4
88.04078	0.8
89.02454	49.8
93.94052	0.7
95.01408	3.3
99.00862	1.6
101.02454	32.4
106.81871	0.7
110.82838	0.7
110.89919	1.8
110.98474	0.9
112.98717	0.7
113.02464	17.9
113.03613	1.4
114.02000	1.6
114.02782	1.6
115.00363	2.4
115.04028	1.4
116.07193	1.1
117.01966	2.6
119.03518	22.8
122.02489	5.3
125.00110	1.0
125.03579	0.7
127.05135	2.7
128.03574	2.0
129.01941	0.9
131.01984	0.8
131.03503	2.8
131.04630	2.9
133.05060	5.8
134.05476	0.7
142.99896	1.4
143.03534	1.3
145.06224	8.9
145.39392	0.8
147.06633	1.8
149.04568	1.7
154.91585	0.7
154.97472	3.7
156.99954	2.1
161.04558	2.4
179.05632	3.1
193.03525	1.5
194.03838	2.1
194.93858	0.9
195.05136	1.4
221.06744	2.0
252.04257	1.3
276.87936	1.2
280.03748	1.2
294.97079	3.1
295.10367	100.0
296.10684	4.4
296.64908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03464	0.9
58.00595	1.6
59.01384	100.0
59.78342	0.6
60.01734	0.9
69.94888	1.3
69.95229	1.5
71.01386	44.3
72.99319	1.1
73.02947	2.6
78.95943	1.3
83.01398	2.3
85.02958	9.7
87.00903	1.1
89.02453	48.0
92.00751	0.7
95.01386	3.4
95.22004	0.7
101.02457	29.1
113.02455	16.9
117.43817	0.7
119.03519	24.5
131.03484	1.5
133.05118	1.9
143.03540	2.0
148.75421	0.7
149.04565	1.3
154.06276	0.8
161.04576	2.4
179.05637	2.4
291.63510	0.7
295.10361	93.7
296.10641	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	295.119
Annotation	Amotin
Peak:m/z	Relative Intensity
51.25032	1.3
53.22144	1.2
55.01873	1.8
57.03455	11.6
59.01376	4.9
66.73334	1.3
69.03466	3.4
69.19913	1.2
71.05014	2.0
71.20772	1.6
71.81239	1.1
73.02946	3.0
80.02699	1.3
80.96526	21.3
81.03459	1.2
83.05039	5.3
85.02933	7.2
87.00848	1.4
89.02443	1.4
93.03477	2.6
95.05036	27.3
95.30698	1.4
96.02197	1.5
96.96056	1.8
97.02965	3.4
97.06566	1.8
98.03745	3.5
109.02931	2.9
109.06608	2.7
111.04527	21.2
111.08165	5.7
113.02482	2.4
113.05363	2.3
113.06104	30.1
115.04025	4.6
117.03478	2.5
119.05019	2.8
120.05773	1.7
121.06607	10.0
121.10194	1.4
122.03741	3.5
123.08157	6.5
124.05310	1.3
132.02205	1.2
133.02916	1.6
133.06633	2.1
134.03752	3.1
134.04703	1.3
134.07404	1.8
135.08099	2.8
137.06096	7.0
137.09737	4.5
138.06845	2.4
139.07663	6.9
147.08168	2.4
149.09747	12.6
150.06906	1.4
151.07668	2.9
151.11325	1.4
155.07118	3.2
160.01636	3.8
163.11298	3.6
164.04845	1.3
165.09261	9.6
169.12392	5.9
171.11839	10.3
174.10504	2.2
175.04016	3.7
181.21791	1.3
189.12874	95.8
190.13193	4.1
191.07181	1.8
193.01443	2.4
193.05098	2.9
206.53110	1.6
207.13878	10.3
208.03835	1.3
213.11311	2.8
223.06195	3.4
233.12000	1.9
235.06151	4.4
245.74571	1.4
251.12917	100.0
252.13216	4.6
295.03152	2.3
295.08609	15.4
295.11899	59.9
296.12219	2.3
300.02704	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	295.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
64.03599	0.4
71.40775	0.5
79.95747	1.5
90.27177	0.4
152.79359	0.5
183.01253	1.4
184.02061	0.8
195.21202	0.4
196.01949	0.4
197.02765	1.4
207.17563	0.6
209.02797	3.2
209.98604	0.4
210.03560	1.8
223.04349	4.3
224.05032	0.6
231.17500	1.1
237.05872	1.2
251.07422	1.3
251.16753	0.7
265.09042	5.3
266.09500	0.9
279.10626	1.9
295.13742	100.0
296.14001	6.3
314.23663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
66.66145	1.2
70.43857	3.2
71.01383	4.5
73.02950	2.2
78.95933	2.5
83.01413	1.4
85.02941	1.8
93.03493	2.3
95.01438	1.3
96.95985	2.0
101.02451	4.8
107.97624	1.2
113.02457	1.6
114.02746	1.3
128.03519	1.5
131.49550	1.4
134.03754	2.0
137.02428	2.0
152.94852	1.4
160.01639	2.9
175.04033	2.1
191.61139	1.3
231.74965	1.4
235.06151	1.8
235.11894	3.7
247.80614	1.2
261.24048	1.6
295.08456	4.8
295.11533	1.5
295.22369	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	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.60359	2.2
65.59109	2.1
71.01380	5.2
71.02907	3.6
73.02982	2.4
88.93258	1.9
105.89764	2.3
123.04443	2.9
128.45349	2.6
132.90854	2.1
171.08688	2.2
175.06136	2.8
207.90205	2.3
271.59616	2.3
295.08600	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.6
62.06045	0.5
70.16244	1.0
70.16588	0.6
78.95882	1.2
96.96021	6.0
98.22520	0.6
99.92574	1.6
111.04509	0.7
117.03477	26.6
118.03761	1.1
119.05023	0.8
175.03973	2.4
181.12389	0.6
183.12354	1.0
183.13919	16.5
185.24007	0.6
194.32855	0.5
195.13927	14.4
211.13341	0.6
213.14987	100.0
214.15314	5.0
221.02141	0.6
223.13181	2.4
228.87614	0.6
235.04082	1.1
235.13159	4.1
253.13002	1.2
265.12872	0.8
267.12225	1.6
279.12204	1.4
295.06195	23.4
295.09808	1.3
295.15439	9.5
296.06519	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	295.2281
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.98595	2.6
57.03445	3.1
59.01389	3.3
61.98842	3.4
62.10257	2.9
71.40688	2.7
93.73785	2.7
141.02055	4.2
158.57402	2.8
177.24403	2.8
182.26900	2.9
195.13925	14.0
268.06317	4.0
277.21704	19.0
278.22287	2.7
295.22791	100.0
295.26154	5.1
296.05652	7.6
296.23087	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01382	2.1
61.98840	1.9
67.45705	1.6
71.17901	2.7
79.20367	1.6
94.76963	1.6
96.67415	2.0
98.95609	5.7
101.75905	1.8
114.09095	1.6
133.77553	1.7
141.12872	9.2
155.14432	3.7
249.22249	10.2
277.21725	1.8
292.75967	1.8
295.06161	2.9
295.17700	4.1
295.22787	100.0
296.05756	3.7
296.23160	5.2
315.21048	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	295.2282
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.45384	0.9
59.01380	1.3
59.82727	0.8
59.86057	0.8
60.02650	0.8
60.66529	0.8
121.47740	0.9
125.09758	1.7
141.12851	1.2
158.26732	1.0
164.91394	0.8
169.12331	2.7
197.11877	1.8
204.48117	1.0
251.23860	1.9
268.06308	1.7
277.21774	6.4
295.02710	1.0
295.06107	2.1
295.22791	100.0
296.05743	3.4
296.09149	1.1
296.23157	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.58778	0.4
57.03434	0.8
59.01381	2.1
69.09196	1.9
69.09601	0.7
69.34222	0.4
83.05026	0.6
91.32512	0.4
97.06584	0.5
98.21905	0.9
101.21079	0.4
103.24249	0.4
113.09741	2.7
133.43430	0.3
171.10281	0.5
177.12840	0.5
177.67632	0.4
179.14403	1.2
181.12318	0.5
193.50119	0.4
195.13904	20.5
196.14355	0.5
259.20761	0.5
277.21732	19.5
278.21973	1.1
295.06018	0.8
295.22803	100.0
296.05728	1.5
296.23151	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03446	1.2
59.41052	0.9
70.09097	1.5
99.08199	0.7
113.84921	0.8
122.69240	0.7
125.09744	1.8
141.12845	1.0
171.10287	43.3
172.10616	1.1
245.94983	0.8
259.20621	0.9
277.21732	55.0
278.22061	3.6
295.22794	100.0
296.23132	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	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.26690	4.6
50.87292	4.4
52.24239	4.6
54.16571	3.9
59.07049	4.4
60.48656	4.5
61.65136	4.4
71.40710	5.5
73.15897	4.5
74.81403	5.0
101.63639	5.4
147.90146	4.9
163.00407	9.1
171.10280	55.6
190.99820	6.1
267.06647	17.4
277.21744	83.6
295.06329	25.7
295.22760	100.0
296.05850	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	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03442	2.5
59.01384	2.5
69.78661	3.2
98.22006	1.2
99.08171	0.9
115.16496	0.8
121.98663	0.8
125.09721	1.9
127.11264	0.9
141.12849	2.0
149.76042	0.8
155.14453	1.2
171.10284	63.3
172.10629	2.0
183.10287	3.0
185.20461	0.9
195.13979	1.6
243.54189	0.9
262.20911	0.9
277.21759	73.6
278.22070	3.7
295.22803	100.0
296.23267	7.4
303.88568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2283
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.12880	0.9
57.03453	2.1
61.84821	0.7
71.42667	0.8
79.26505	0.8
89.87892	0.9
98.21867	0.9
113.09746	4.0
117.03451	0.9
120.81064	0.8
127.11239	0.9
168.50037	0.8
171.10252	1.9
175.49754	0.8
181.12328	0.9
190.62431	0.8
237.05785	0.8
277.21710	4.1
295.22797	100.0
296.23135	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	296.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98479	4.9
59.01382	100.0
62.79278	5.1
69.98785	6.6
71.01382	42.2
76.97476	5.7
78.95921	11.7
85.02962	13.9
89.02441	43.6
96.54553	5.5
99.00897	10.8
100.54371	5.0
101.02446	27.8
103.15882	5.0
112.98830	18.5
113.02462	15.8
119.03526	12.4
122.02493	60.0
126.93576	9.5
127.02641	23.1
130.08778	8.4
134.04753	29.9
135.06651	21.9
142.99860	56.0
161.04539	9.9
173.00983	9.5
237.10010	7.6
245.68233	4.8
279.71399	5.8
296.10629	7.9
297.11938	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01381	5.0
65.00330	5.4
69.56488	2.2
69.56864	2.6
69.92313	1.1
71.01377	12.2
77.88110	1.3
85.02948	1.8
87.04554	1.8
88.04049	81.3
90.06116	1.3
93.03466	1.2
95.83826	1.2
98.21852	2.3
98.45272	1.1
102.05637	1.7
109.02927	1.6
113.02436	1.5
114.01977	4.2
115.00399	18.4
119.05028	1.8
122.03751	9.8
123.04536	2.2
128.03555	3.2
132.03043	100.0
136.98813	4.1
137.06094	2.7
146.04610	1.9
148.01683	4.9
153.09267	2.9
163.04015	4.6
165.12842	1.8
167.03523	3.2
176.24376	1.3
180.06653	3.0
181.05090	4.0
191.10822	1.8
191.20901	1.2
209.11914	1.8
252.08919	4.1
253.06987	1.5
269.00916	3.4
278.06903	1.3
296.07822	30.9
296.11685	1.6
297.00400	5.3
297.06464	2.4
297.09851	10.3
297.13419	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0822
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.88223	0.2
59.01372	0.5
70.01343	0.2
70.03012	0.4
70.03416	0.4
71.57007	0.2
78.95889	0.2
79.88084	0.2
92.02551	2.3
104.80176	0.2
107.03647	6.0
123.03575	0.2
134.04744	100.0
135.05177	1.5
160.00436	0.2
181.05034	0.2
182.95154	0.2
198.56860	0.2
199.81351	0.2
224.34070	0.2
272.83606	0.2
296.08249	8.3
296.11575	0.4
297.08374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25874	0.7
57.97488	0.6
58.86329	0.7
59.01383	1.4
65.00329	66.6
69.25179	4.0
83.05037	0.8
83.29934	0.6
83.80277	0.7
87.00872	0.8
92.99805	4.7
101.03973	1.2
108.83051	0.6
108.99316	2.2
111.60928	0.7
113.03954	4.8
117.03515	1.5
119.05006	1.4
125.03971	3.4
129.03473	3.0
131.01413	3.0
132.02206	2.3
133.02960	0.9
135.04541	1.1
136.98814	69.6
137.99178	1.4
141.03476	31.2
142.03836	0.9
143.05025	1.5
145.02968	3.1
147.04552	5.4
149.02411	1.2
153.03444	3.9
157.02959	7.4
165.09254	0.9
169.02954	21.4
171.04523	6.5
173.02464	8.8
175.04036	1.0
181.02946	6.5
182.03525	0.8
185.02432	4.7
187.04050	2.8
191.10735	0.8
197.02448	13.5
201.01967	8.2
209.11804	0.7
213.01901	7.0
213.03442	0.7
225.01910	14.3
226.02495	1.1
241.01384	3.5
269.00922	71.9
270.01328	3.8
297.00421	100.0
297.09827	3.1
297.13516	1.9
298.00778	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	297.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46160	0.2
55.26242	0.1
63.02386	0.1
65.00323	3.1
67.01884	0.2
68.99828	0.7
71.39765	0.2
83.01397	0.5
89.00343	0.5
89.03967	0.2
91.01934	0.2
92.99842	0.6
93.03461	0.6
99.00896	0.6
107.01364	0.6
110.00105	0.6
111.00899	0.4
113.03934	0.2
117.03472	25.0
118.03788	1.0
119.05047	0.2
123.00878	0.6
125.02461	0.4
125.06088	0.2
129.03482	0.3
130.04227	0.3
131.04947	0.2
133.02930	0.4
134.00125	0.3
135.00882	0.4
136.98839	1.4
137.99582	0.4
141.03479	1.6
143.05095	0.2
145.02962	0.2
149.02489	0.3
151.00381	1.4
153.01952	2.8
154.04254	75.2
155.04588	3.9
157.02934	3.0
159.04442	0.2
161.02451	0.6
164.98251	0.2
165.03465	2.1
167.05069	0.7
169.02960	2.2
169.06549	0.3
170.03676	0.5
175.03989	0.8
176.98297	1.3
177.01950	0.5
178.99881	5.7
179.01480	0.3
180.00238	0.3
181.02942	0.7
182.03731	3.4
183.04446	0.3
185.02444	8.1
186.02823	0.4
195.04510	0.6
197.02412	0.2
197.06015	0.2
198.03227	20.7
199.03589	1.0
201.05583	0.3
209.02437	0.7
210.03241	1.0
211.03963	0.2
213.05586	0.3
223.03949	0.7
225.01958	0.2
225.05536	0.5
226.02721	46.6
227.03082	2.8
230.02194	0.7
237.01913	0.4
238.02711	2.2
239.03116	0.3
241.05093	0.4
251.03429	0.5
253.01501	0.2
253.05090	0.2
254.02209	10.7
255.02583	0.6
258.01691	7.2
259.02084	0.3
266.02173	1.5
267.02875	0.8
269.04550	25.0
270.04932	1.5
282.01718	0.4
295.02390	0.3
297.04037	100.0
298.04364	6.6
298.07758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	4.5
65.00653	0.3
67.01894	0.2
68.99825	0.5
79.01909	0.2
82.00607	0.2
83.01399	0.3
83.02128	0.1
89.00351	0.5
89.74381	0.2
91.01891	0.2
92.99823	0.9
99.00890	0.7
106.00607	0.2
106.67613	0.2
107.01408	0.6
108.99316	0.3
109.02998	0.2
110.00115	0.8
111.00920	0.2
113.03992	0.2
116.32380	0.2
117.03477	21.1
118.03825	0.6
119.05016	0.3
121.02954	0.2
123.00912	0.8
125.02466	0.7
126.57664	0.2
129.03459	0.3
130.04263	0.2
131.05013	0.2
132.02193	0.2
133.02995	0.6
133.06552	0.2
134.00093	0.3
135.00877	0.6
136.98828	2.5
137.99623	0.7
141.03488	1.9
143.05043	0.2
145.02928	0.2
147.04547	0.2
148.06737	0.2
149.02440	0.4
151.00391	1.5
153.01964	2.2
153.03203	0.3
154.04262	65.9
155.04572	2.4
157.02950	2.7
157.04170	0.2
161.02458	0.4
165.03485	1.8
167.05005	0.4
169.02956	2.6
169.06528	0.2
170.03729	0.5
171.04420	0.3
173.02397	0.4
175.04031	0.6
176.98315	0.8
177.01971	0.5
178.99869	5.2
180.00182	0.2
181.02962	0.6
182.03741	3.5
182.48601	0.1
183.04289	0.3
185.02460	6.6
186.02930	0.3
193.03065	0.2
194.03780	0.4
195.04535	0.6
197.02409	0.5
197.06140	0.3
198.03232	18.7
199.03581	1.0
201.01944	0.3
201.05621	0.4
202.15102	0.2
209.02473	0.9
210.03204	1.0
211.04079	0.3
213.02023	0.2
215.57547	0.1
223.04073	0.6
225.01974	0.5
225.05608	0.6
225.09106	0.1
226.02728	42.5
227.03093	2.3
230.02132	0.9
237.01868	0.2
238.02721	2.6
239.03419	0.2
241.01532	0.2
241.05121	0.4
251.03452	0.3
253.01369	0.2
253.05121	0.2
253.08807	0.3
254.02223	10.2
255.02620	0.7
258.01697	6.6
259.02112	0.3
266.02280	1.5
267.03055	0.5
269.01126	2.0
269.04553	24.0
270.01868	0.2
270.04932	1.7
282.01633	0.3
283.02554	0.4
295.02615	0.2
297.04037	100.0
298.04398	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	297.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26178	0.2
53.45120	0.2
58.66535	0.1
60.67246	0.1
65.00329	4.3
65.99835	1.0
68.99825	1.1
89.00346	0.6
90.97774	0.2
91.01920	0.2
92.99831	1.1
93.99355	1.7
95.01358	0.2
98.21776	0.2
99.00880	1.9
107.01405	0.7
107.89973	0.2
108.99322	0.2
110.00117	0.7
111.00875	0.3
112.72694	0.1
113.04025	0.2
117.03474	21.1
118.03795	0.8
118.05577	0.2
119.05025	0.3
120.99335	0.4
123.00880	0.6
125.02457	0.5
129.03500	0.3
130.04239	0.2
133.02954	0.6
135.00848	0.4
136.98830	2.3
137.99582	0.5
141.03465	1.6
145.02917	0.3
149.02449	0.4
151.00391	1.6
151.60037	0.2
153.01956	2.5
153.03209	0.3
154.04260	68.9
155.04587	2.8
157.02954	2.9
161.02493	0.6
161.98355	0.2
164.98247	0.2
165.03461	2.0
166.03784	0.2
167.05054	0.8
169.02969	2.4
169.06577	0.3
170.03654	0.6
171.04478	0.6
173.02512	0.2
175.04008	0.9
176.98289	1.2
177.01947	0.6
178.99869	5.7
181.03011	0.8
182.03755	3.3
183.04498	0.3
185.02451	7.4
186.02812	0.3
187.03984	0.2
193.02985	0.2
194.00958	4.6
194.03709	0.4
195.04538	0.6
197.02472	0.3
197.06097	0.5
198.03230	18.8
199.03607	0.8
201.05603	0.5
209.02345	0.8
210.03278	1.0
211.03767	0.2
213.01868	0.3
213.05678	0.2
214.02702	0.2
223.04039	0.8
225.01901	0.5
225.05522	0.4
226.02724	43.9
227.03116	2.2
230.02184	1.0
237.01910	0.6
238.02734	2.0
238.05002	0.3
239.03391	0.3
241.05103	0.5
251.03409	0.2
253.01268	0.3
253.05153	0.2
254.02220	10.4
255.02667	0.7
258.01703	8.2
258.04489	0.3
259.02017	0.3
266.02167	1.6
266.04630	1.2
267.02985	0.3
269.01166	1.3
269.04556	23.3
270.04865	1.5
270.07733	0.5
282.01764	0.3
283.02548	0.5
292.13138	0.2
297.04041	100.0
298.04358	6.5
298.07297	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	297.039
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
63.02397	0.2
65.00323	2.8
67.01896	0.2
67.77633	0.2
68.99825	0.7
69.14499	0.1
69.43130	0.2
69.94832	0.3
69.95129	0.2
76.80937	0.2
82.00597	0.3
83.01405	0.3
86.19026	0.2
89.00343	0.5
91.01916	0.2
92.99806	0.8
93.03456	0.2
97.11302	0.1
98.21954	0.2
99.00883	0.6
107.01412	0.3
108.99366	0.2
110.00109	0.7
111.00910	0.2
112.52528	0.1
117.03474	21.6
118.03817	0.7
119.05030	0.3
120.99323	0.3
123.00887	0.5
125.02454	0.5
129.03471	0.3
133.02957	0.4
134.00139	0.3
135.00894	0.4
136.98811	0.7
137.99608	0.4
141.03496	1.2
146.97531	0.2
151.00404	0.9
153.01961	2.7
154.04254	68.2
155.04588	3.0
157.02948	2.6
161.02448	0.5
165.03439	2.1
167.05038	0.6
169.02968	2.1
169.06624	0.4
170.03664	0.4
175.04019	0.9
176.98286	0.8
177.01930	0.2
178.99863	5.4
181.02974	0.5
182.03732	3.7
183.04378	0.4
185.02434	6.5
186.02864	0.2
193.02943	0.2
194.03711	0.5
195.04515	0.3
197.06053	0.2
198.03230	18.0
199.03580	1.1
201.05580	0.3
205.89310	0.2
209.02440	0.8
210.03230	1.2
211.03899	0.2
214.02667	0.2
223.03983	0.8
225.02017	0.2
225.05693	0.9
226.02719	45.8
227.03050	2.8
230.02167	0.8
237.01892	0.3
238.02707	2.2
239.03236	0.2
241.05070	0.6
251.03419	0.4
254.02219	10.6
255.02625	0.7
258.01672	5.6
259.02036	0.3
266.02286	1.4
267.02960	0.5
269.04553	23.8
270.04904	1.6
282.01797	0.2
295.02737	0.2
297.04041	100.0
298.04373	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	297.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18582	0.2
51.41675	0.2
65.00330	2.3
67.18190	0.2
77.71169	0.2
79.01898	0.3
80.66195	0.2
92.99825	6.0
97.24857	0.2
101.67485	0.2
104.05514	0.2
117.03536	0.4
119.05013	0.2
120.99329	3.0
123.00880	0.2
135.82861	0.3
136.01656	0.7
136.98816	4.1
141.03493	0.3
143.05051	0.5
145.02962	8.0
151.04018	1.1
164.98271	0.5
167.05089	1.5
171.04527	13.2
172.04721	0.4
173.06044	0.3
183.04578	0.5
195.04492	3.2
211.03999	1.7
239.03505	59.7
240.03816	3.7
267.02994	100.0
268.03351	5.4
269.01071	0.4
282.05353	61.0
283.02576	1.0
283.05750	3.9
285.94226	0.3
297.07635	36.3
298.04950	0.4
298.08026	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	297.0983
Annotation	Chakanoside I
Peak:m/z	Relative Intensity
54.02230	0.9
57.03439	3.4
59.01369	3.7
65.00311	1.2
67.67782	1.0
68.99804	1.0
69.03475	0.9
69.29588	3.5
71.01377	3.0
71.05009	1.8
81.03452	2.1
83.01392	11.4
85.02949	5.0
85.06593	1.0
92.05063	5.9
93.03469	1.9
95.01372	2.9
95.05014	2.2
97.06606	5.9
98.00070	1.5
99.04536	1.5
102.71210	0.9
107.05025	4.7
109.02911	2.2
109.06594	4.4
111.00848	1.2
111.04507	0.9
113.06095	3.6
113.45343	0.8
114.05611	4.6
121.06653	1.4
122.03713	1.5
123.04560	5.2
123.08193	1.4
125.06096	1.6
133.02951	2.2
133.06586	1.9
135.04521	2.7
136.01675	4.2
136.04062	6.8
137.02470	8.2
137.06046	1.8
139.07648	1.2
147.04492	1.3
147.08188	1.4
149.06068	4.0
151.03984	2.8
151.07698	8.7
152.01169	1.1
153.01932	1.9
153.05638	1.5
155.03557	1.9
155.07217	1.1
162.03293	0.9
163.07674	1.6
164.01216	2.2
165.05579	1.1
165.09178	1.6
173.09657	1.3
175.07651	1.9
175.25284	1.0
175.60565	0.9
176.04785	1.2
179.03456	1.2
181.01477	2.9
182.02225	22.1
183.06664	2.2
183.11389	1.1
189.09196	1.5
191.03545	1.4
191.07162	4.2
191.10669	1.7
193.05020	0.9
193.08606	0.9
195.06612	2.4
200.33664	0.9
207.10272	1.3
217.08691	3.6
217.12245	1.0
218.05910	1.1
219.06660	1.7
232.03740	2.0
233.08199	3.5
235.06122	5.3
235.09671	2.1
243.06592	1.1
261.07666	3.9
279.08765	100.0
280.09137	5.2
297.06454	3.6
297.09769	60.2
298.10034	3.6
313.24820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17914	2.1
54.67594	2.4
57.03433	3.0
57.84053	3.3
59.01351	3.3
65.00336	3.9
65.85539	2.3
71.42253	2.8
81.05555	2.3
82.02975	2.4
83.01384	6.4
85.72256	2.2
91.19568	2.2
95.41602	2.0
96.96008	4.5
117.03484	2.9
118.51608	2.3
119.05074	10.7
133.03006	2.9
136.98793	4.8
141.03508	3.7
145.02901	2.7
175.20012	2.6
203.01289	4.7
241.01451	9.7
260.08685	2.2
269.00870	16.5
269.04123	4.2
279.08560	8.1
297.00348	9.7
297.04041	9.0
297.07547	100.0
297.10901	5.0
297.13110	4.5
297.24338	5.0
298.07791	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	297.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12201	0.5
55.01868	0.6
57.03450	3.3
58.98714	0.5
59.01383	10.4
65.00329	1.1
69.03464	0.5
69.11747	3.0
71.01397	4.9
72.99315	4.6
73.02933	1.1
73.15138	0.5
75.00855	0.7
78.95910	9.6
79.20110	0.6
83.01400	0.8
83.05020	1.2
85.02953	2.4
85.06632	0.5
87.00891	1.2
88.13304	0.5
89.02440	3.7
95.05026	0.5
97.02985	0.7
98.02433	0.6
98.21867	0.8
99.00905	0.5
101.02454	40.9
103.04018	0.5
107.05076	0.7
109.03008	0.8
111.08166	0.5
113.02442	1.4
113.06076	0.7
114.05639	1.1
117.03452	0.8
119.03510	1.9
119.05002	0.7
121.06625	1.2
123.04504	0.8
125.02445	0.6
128.98645	1.4
131.08278	100.0
132.08633	2.1
135.04602	0.7
135.06680	1.6
135.08144	0.7
136.98706	1.2
139.00197	1.3
141.00446	0.7
143.11891	1.1
145.06219	0.7
147.08162	1.3
150.75075	0.6
153.09230	1.4
154.99680	0.7
156.07777	4.7
161.04547	0.6
164.98311	0.7
165.09212	1.5
172.99402	1.9
173.10452	61.1
174.10739	1.2
178.05971	0.8
179.05632	1.3
191.10858	0.5
196.05779	0.5
198.90431	0.6
199.00974	1.0
209.08203	0.8
209.11911	0.7
214.96996	0.6
215.00554	1.5
215.10370	2.1
229.01578	0.5
253.07147	0.7
253.10835	1.2
253.96426	0.5
255.09592	0.7
280.08029	1.3
283.02505	1.8
297.00415	1.2
297.06134	1.4
297.12158	5.9
297.24481	0.6
298.00467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1194
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
51.64772	0.4
55.01879	1.3
56.99828	0.3
57.03456	1.9
58.00598	1.2
58.38558	0.3
58.58364	0.3
59.01385	100.0
59.10240	0.3
60.01712	0.5
62.57729	0.4
63.08080	0.3
69.03434	0.5
71.01389	49.9
71.05025	0.4
71.39074	0.3
72.01730	0.5
72.99320	1.4
73.02952	8.4
75.00890	0.4
78.95894	1.9
79.95748	0.4
80.96501	0.3
81.03477	0.9
83.01395	2.9
85.02957	14.7
87.00887	2.2
89.02455	51.2
90.02798	0.8
95.01392	3.0
96.97008	0.7
97.02998	0.6
99.00894	2.2
99.04532	0.7
101.02454	33.5
102.02789	0.5
103.04031	1.2
113.02462	20.4
114.02824	0.4
115.04015	0.7
117.05608	0.8
119.03517	21.8
122.02479	1.4
123.02838	0.5
125.00100	0.7
125.02516	0.6
126.98943	0.4
127.02628	0.5
128.03564	3.7
128.69235	0.4
129.01939	0.4
130.08755	0.8
131.03491	2.6
133.05070	0.8
134.04654	0.6
135.06656	22.7
136.06982	0.5
136.35449	0.4
143.03534	4.5
149.04579	1.8
154.06206	0.4
159.02985	1.5
161.03230	0.8
161.04579	15.4
162.05003	0.4
179.05624	12.9
237.09796	4.7
297.11920	42.5
297.97931	0.6
298.07797	0.5
298.12268	1.9
312.12964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1347
Annotation	Tehranolide
Peak:m/z	Relative Intensity
55.01875	4.0
57.03457	60.3
59.01391	34.4
61.53798	2.9
65.00313	3.1
69.03443	4.2
69.28915	10.3
69.29311	5.6
71.01360	2.5
71.05007	3.0
77.94146	2.9
80.02701	3.9
81.03461	9.1
83.01387	7.3
83.05027	34.7
84.70432	3.2
85.02983	16.0
85.06594	16.1
86.45926	2.6
87.04514	15.1
92.94437	2.4
93.03403	3.5
95.01412	3.1
95.05026	29.3
96.02150	3.8
97.02951	6.4
97.06598	9.8
98.03746	2.9
99.04518	23.4
107.05054	15.4
109.02983	30.4
109.06570	7.5
111.04534	13.3
111.08174	19.7
113.05366	4.6
113.06105	59.6
117.03479	9.1
119.04993	3.6
121.03036	3.8
121.06564	6.7
123.08167	7.8
133.06586	6.4
135.04509	3.7
135.08183	15.3
137.06099	5.0
137.09697	4.5
139.07616	8.2
147.08231	7.3
149.09708	11.2
151.07678	13.6
151.78427	2.7
152.04790	3.2
153.09236	59.5
157.05087	19.6
161.06267	2.7
162.06828	2.8
163.07631	3.0
165.09213	16.2
167.07129	3.9
171.11818	4.8
177.01904	4.4
177.09238	48.0
182.02225	3.1
185.08177	3.6
189.12811	3.6
195.10254	6.3
201.46605	2.6
205.12270	5.6
207.13960	4.1
208.99197	3.3
217.12309	5.0
235.13382	19.9
253.04877	2.8
253.14494	40.8
254.14758	3.3
269.00790	3.6
269.04532	6.4
279.08740	21.3
279.12158	5.3
287.30939	3.1
297.00586	3.8
297.03912	9.1
297.09814	16.7
297.13425	100.0
298.13745	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	297.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01385	0.5
64.41815	0.2
65.00319	0.7
69.03466	0.3
71.05028	0.2
74.25872	0.2
78.95914	3.9
79.95733	2.0
80.07361	0.2
83.01388	1.5
83.05022	0.2
85.02973	0.6
95.95268	0.6
96.96022	100.0
97.06621	0.5
97.95958	0.3
99.04546	0.5
99.39235	0.2
109.06628	0.2
114.41151	0.2
117.03493	0.5
119.04970	0.5
123.08179	0.3
123.91226	0.2
125.02472	0.4
133.02980	0.4
135.04549	0.2
136.98817	0.9
139.04027	0.3
141.03389	0.2
145.02982	0.8
151.07610	0.5
153.03220	1.7
163.07672	0.4
169.02962	0.4
173.02429	0.7
177.01930	0.3
177.07376	0.2
195.06683	0.5
201.01926	0.4
231.88277	0.2
241.01456	1.8
253.10773	0.8
269.00955	3.0
269.03995	0.4
279.08850	1.4
297.00769	2.1
297.13788	85.3
298.14108	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	297.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10208	0.2
57.59946	0.2
61.60803	0.3
69.08167	1.7
74.60475	0.2
78.99429	0.3
79.95348	0.3
79.95770	1.0
98.22661	0.5
100.39382	0.3
107.02688	0.3
170.00467	0.4
183.01222	10.2
184.01979	1.8
197.02785	30.5
198.03542	6.8
211.04390	1.2
212.05084	0.5
216.00931	0.3
222.18802	0.3
230.02559	1.1
239.07558	0.4
267.10632	0.3
297.15305	100.0
298.15610	6.8
298.18939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05778	0.3
69.27582	1.5
79.95709	1.7
81.45153	0.3
97.72879	0.2
98.21894	0.6
119.05026	0.9
125.86409	0.3
129.92999	0.3
136.13068	0.3
170.00446	1.8
183.01227	52.8
184.01884	2.9
197.02780	4.8
198.03600	2.3
211.04289	0.5
212.05161	0.4
216.00974	0.5
225.05936	0.4
233.19124	0.4
297.15302	100.0
298.15604	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
61.72121	0.5
69.12774	1.4
69.13191	2.1
69.87486	0.5
73.44823	0.5
74.77924	0.6
83.98711	0.6
119.05081	0.6
127.11306	2.3
153.12857	0.6
171.10274	8.4
171.64235	0.5
179.62393	0.5
183.01187	4.7
197.02736	0.7
197.05595	0.6
279.23264	10.4
280.23608	1.1
295.22607	0.7
297.15305	13.4
297.24362	100.0
298.24704	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15480	0.5
51.99544	0.5
57.03447	0.7
58.22442	0.6
59.01367	0.5
61.32886	0.5
69.68563	2.0
74.99072	0.6
107.38198	0.5
109.28538	0.6
124.80478	0.5
125.63899	0.5
126.04076	0.5
131.62312	0.5
139.11307	1.8
149.00981	6.7
152.76819	0.6
155.14458	0.9
183.01251	3.7
184.01854	0.9
190.55057	0.6
196.80675	0.6
223.02785	0.8
241.12335	0.5
253.25426	1.9
264.98364	2.8
267.03448	0.6
279.23373	1.1
281.01474	0.9
297.04767	9.9
297.15390	8.8
297.24371	100.0
298.04837	1.5
298.15640	1.4
298.24738	8.1
299.02731	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	297.2438
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
51.49885	0.4
59.01385	0.5
59.57054	0.4
69.16583	3.0
79.95757	0.6
83.57198	0.4
93.33769	0.5
93.55675	0.5
105.40427	0.5
119.05048	0.8
169.12384	4.5
183.01221	13.5
183.13918	16.1
184.01978	4.9
184.14209	0.6
192.65668	0.4
197.02742	0.6
279.23334	12.9
293.67807	0.5
295.22699	1.4
297.15323	35.1
297.24359	100.0
298.15704	2.5
298.24747	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
56.16552	1.0
61.98831	1.7
65.00331	10.7
66.13858	1.3
68.06100	1.3
70.25526	2.9
81.01180	1.4
104.99529	1.2
113.04006	1.4
114.36035	1.3
117.03391	1.3
136.98819	11.2
141.03488	4.5
145.02954	1.5
157.02972	1.9
169.02985	3.8
171.04536	2.2
181.03137	1.6
183.01224	9.5
197.02464	2.5
201.01939	2.1
225.01907	3.0
239.03432	2.4
253.25447	3.2
269.00934	11.8
279.23386	2.1
283.02356	2.2
297.00415	16.9
297.04404	4.4
297.15262	16.2
297.24356	100.0
298.00867	2.1
298.07339	1.4
298.15695	1.3
298.24759	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	297.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
72.91701	0.5
77.39378	0.4
80.79048	0.5
87.09055	0.4
130.45367	0.4
130.70467	0.5
157.08714	7.8
169.12347	2.4
183.01222	4.5
184.01936	0.7
252.82391	0.4
261.22226	0.6
279.23303	14.8
279.26279	1.0
280.23648	1.0
295.22641	0.7
297.15302	11.3
297.24365	100.0
298.15573	0.9
298.24689	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	297.2438
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
57.78122	0.4
59.01375	0.9
69.96358	0.4
69.96674	0.7
87.20135	0.3
97.06612	0.4
134.13733	0.3
139.11246	0.4
141.12860	1.6
155.10797	14.2
171.10294	0.8
183.01175	3.2
184.01910	0.4
279.23312	13.6
280.23709	1.0
295.22757	0.7
297.15414	6.1
297.24371	100.0
298.15814	0.4
298.24695	7.0
306.86868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80759	1.4
54.98769	1.3
59.01382	11.7
60.60481	1.4
61.56319	1.3
65.00323	1.5
67.09857	1.3
72.00921	9.7
78.95934	3.1
79.10939	1.2
93.03463	3.0
108.93806	2.2
109.60448	1.4
117.93799	24.0
136.98810	2.6
137.02451	5.8
147.04552	21.3
150.94807	14.8
163.94357	25.8
164.07201	20.8
174.99237	4.0
178.93050	2.6
205.95317	8.4
217.00262	12.0
250.07167	1.5
284.03235	11.0
298.01657	100.0
299.01962	4.5
299.05426	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	298.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74923	0.2
65.00332	24.7
66.00674	0.3
66.01083	0.4
67.01904	0.3
68.99840	1.3
72.99297	0.4
82.00605	4.7
83.01397	0.3
92.99831	3.1
95.01402	2.0
96.02183	0.9
96.99320	4.8
99.00894	0.2
105.03434	0.3
108.02185	0.6
108.99312	1.3
110.00108	17.1
111.00938	2.2
117.02654	0.4
117.03474	6.6
118.03830	1.0
119.01396	0.7
119.05063	0.3
120.99324	2.0
121.02961	0.4
123.00909	2.0
124.01678	2.7
124.98785	0.3
125.02418	0.3
131.05003	0.3
133.02991	1.1
135.00891	1.6
136.01637	0.4
136.98822	25.0
137.99651	1.9
139.00391	3.9
141.03493	0.8
141.99075	0.2
143.05037	2.2
145.02971	0.4
145.06596	0.4
149.02432	0.4
150.03290	0.4
151.00371	0.8
152.01208	1.4
153.18594	0.2
154.04230	0.4
155.05103	1.6
157.02980	0.4
157.06554	0.5
159.04509	0.7
161.02448	0.9
163.00388	4.4
164.98306	33.1
165.99097	3.2
166.99876	1.3
167.05052	1.6
169.02950	0.7
169.06613	0.6
171.04514	1.3
173.06067	0.9
177.01915	0.4
178.02727	0.6
178.99937	0.9
180.00717	0.3
181.06650	0.3
182.03764	0.3
183.04520	11.7
184.04915	0.6
185.02452	9.3
186.02789	0.3
187.04047	0.6
192.00601	0.3
194.99399	0.5
195.04568	0.6
197.06166	0.5
199.04051	1.1
201.01900	0.4
201.05624	0.3
205.01387	0.3
211.04031	5.6
212.04422	0.5
213.01987	1.3
213.05576	0.4
214.06245	0.4
215.03514	0.5
223.03897	0.2
224.04848	0.4
225.05528	0.6
226.02615	0.3
227.03528	2.6
228.04073	0.3
239.03490	1.6
240.03979	0.6
241.05075	0.7
242.08118	1.3
243.02971	0.3
251.03395	0.6
253.05019	0.7
254.01834	0.3
254.05775	0.4
255.03020	18.6
256.03531	1.1
267.02896	1.1
268.03351	0.3
269.04547	0.8
270.05139	0.4
270.07797	0.9
271.02615	0.4
279.03143	0.4
281.04492	1.1
283.02509	84.8
284.02921	5.9
297.04059	0.6
298.04840	100.0
298.07697	4.3
299.01923	2.0
299.05258	7.5
299.08517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0483
Annotation	3'-hydroxy-biochanin A
Peak:m/z	Relative Intensity
65.00331	19.5
68.99821	1.0
69.23250	1.2
83.68225	0.2
87.09503	0.2
92.99826	3.1
93.54657	0.2
93.97272	0.2
95.01400	0.7
96.99309	3.8
97.68372	0.2
107.01395	0.5
108.02222	0.2
108.99330	1.4
110.00110	0.9
111.00919	0.9
117.03480	5.6
118.03779	0.5
119.05029	1.0
120.99329	2.2
122.00040	0.2
123.00922	1.7
124.01675	2.0
129.03452	0.2
133.02962	0.6
135.00887	0.8
136.98819	24.0
137.99240	0.7
139.00381	1.6
139.05499	0.4
141.03502	0.7
143.05055	2.2
145.02972	0.2
149.99594	0.8
151.00398	1.1
152.01169	4.6
153.01656	0.2
154.04153	0.2
155.04970	0.8
157.02986	0.3
159.04536	0.5
161.02429	0.3
163.00391	0.8
164.01317	0.2
164.98308	34.4
165.98682	1.0
166.99896	0.2
167.05087	1.2
167.20898	0.2
168.14807	0.2
169.02846	0.2
171.04550	0.5
177.99074	0.8
178.99890	0.4
179.99475	0.1
180.00645	4.9
183.04533	9.3
184.04849	0.6
185.02455	7.9
186.02748	0.6
187.04001	0.6
190.85840	0.2
192.00681	0.3
195.04410	0.2
199.03905	0.2
205.01575	0.4
210.03455	0.2
211.04034	4.4
212.04341	0.4
213.01979	0.6
215.03566	0.4
224.04947	0.2
226.02814	0.3
227.03432	2.4
239.03406	0.8
252.04254	0.5
255.03003	20.1
256.03421	1.0
267.02875	0.2
268.03613	0.2
269.04550	3.3
270.04993	0.5
280.03781	0.3
281.04523	0.4
283.02496	100.0
284.02917	6.7
297.03983	2.3
298.04822	32.5
299.05280	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	298.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78226	0.8
63.45894	0.8
65.00333	8.7
65.30343	0.9
65.99848	18.0
68.99831	7.2
82.00597	1.8
90.00716	0.8
92.99837	2.3
93.99354	24.7
96.99300	1.3
99.00887	20.1
110.00100	7.7
111.00903	1.2
117.03460	13.3
117.99361	2.7
118.03820	11.7
119.05022	2.3
120.16211	0.9
122.02545	0.9
123.00890	5.4
123.04527	0.8
125.68135	0.8
133.02936	2.7
136.98804	8.3
137.99565	2.4
141.03540	1.2
142.03798	0.7
143.05045	2.2
145.02846	0.7
151.00319	0.8
153.01938	2.1
154.02341	1.1
154.04259	22.2
155.04596	45.7
156.04886	1.4
157.02983	1.1
158.03323	2.3
159.04631	0.8
161.02463	1.3
161.98332	5.5
164.98247	7.1
165.99106	5.0
166.03796	2.2
167.05005	0.8
167.44305	0.8
169.02997	0.9
170.03389	1.4
171.04536	6.8
178.99866	3.2
180.00319	2.0
182.03629	1.7
183.04301	2.9
185.02415	5.0
186.02769	4.8
194.00961	78.1
194.06032	1.7
194.99384	2.1
195.01184	1.7
195.04561	1.3
198.03258	5.8
199.03625	14.6
200.01096	0.9
201.01993	2.5
210.02937	0.8
210.05646	1.2
211.03751	2.3
212.04866	1.0
214.02731	1.2
226.02744	8.9
227.03078	37.5
238.05028	1.1
239.03244	2.0
255.02609	11.7
255.06567	1.0
256.06238	1.2
258.01556	1.8
259.02042	6.2
266.04587	20.3
267.02588	1.2
269.04565	1.8
270.04907	22.9
270.07620	1.9
271.02527	1.9
283.02481	7.8
284.03302	21.2
298.04364	100.0
298.07312	31.9
299.01917	11.7
299.05511	18.6
299.12885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0935
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
59.01386	0.9
74.02476	1.0
78.95908	0.6
92.05067	70.8
93.03481	0.7
93.05390	1.6
97.04051	1.0
109.02956	0.5
114.05618	18.9
114.85300	0.5
117.03490	1.0
135.04530	0.7
136.04056	100.0
137.02611	0.5
137.04407	2.4
153.10359	1.1
155.11949	1.0
183.11368	3.0
188.38306	0.5
217.00418	0.8
254.18727	1.2
284.03326	1.7
298.07269	0.6
298.17850	3.5
299.05600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0199
Annotation	Demethylwedelolactone
Peak:m/z	Relative Intensity
52.61294	1.4
60.86679	1.7
63.96240	2.2
65.00330	100.0
71.01402	2.1
72.99292	3.5
73.41424	1.8
92.99833	12.9
96.99320	22.4
101.03947	2.2
102.38544	2.1
104.60131	1.7
108.99319	2.5
110.00086	1.9
117.03384	2.8
119.05070	2.1
120.99323	6.6
123.00909	3.1
127.05594	2.2
129.03482	3.0
130.04190	2.0
131.04987	2.1
133.02965	24.1
135.04514	1.7
135.98341	4.1
136.98814	33.0
141.03497	8.6
143.05045	8.2
144.02179	9.2
145.02962	5.9
147.04544	17.5
149.09740	1.9
155.05016	9.9
157.02945	5.7
158.03708	5.0
159.04552	3.3
161.02448	3.4
161.05969	1.8
164.98306	65.7
165.98972	2.8
167.04993	2.3
169.03004	3.7
171.04495	17.2
173.02449	21.5
174.03160	2.7
175.03998	13.6
181.03108	1.8
182.03781	12.4
183.04485	24.0
185.02440	27.9
187.04034	4.2
193.12318	2.2
197.02536	2.5
198.03163	4.1
199.04012	38.8
200.01218	18.2
201.01942	26.1
203.03497	7.1
210.03217	4.3
211.04095	11.9
212.01131	5.3
213.01949	56.8
214.02272	4.1
215.03503	2.3
226.02783	5.2
227.03510	74.4
228.03772	5.2
231.02921	2.4
238.03856	4.2
243.02901	5.5
253.01378	3.1
255.02992	27.0
271.02518	21.7
272.02786	3.3
284.03217	4.9
299.02072	22.5
299.05228	3.7
299.11246	7.2
300.02383	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	299.0199
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
55.63575	0.3
59.01377	0.4
65.00329	27.5
66.00652	0.6
66.98143	0.3
68.99800	0.6
69.60828	1.0
82.00586	0.4
85.14426	0.3
89.03976	0.5
92.99810	2.2
95.01400	0.9
95.05035	0.5
96.99327	3.5
99.00862	0.3
105.03501	0.3
108.04563	0.9
108.99332	1.1
110.00107	3.3
110.02493	0.4
111.00908	2.6
115.05553	0.5
115.97986	0.3
117.03472	1.4
118.20581	0.3
119.05042	1.0
120.22382	0.3
120.99322	0.9
121.02966	0.5
122.02522	0.4
123.00899	0.6
124.00436	0.3
127.00285	0.4
127.05586	0.8
129.03487	0.9
131.05038	0.8
132.02202	0.6
133.02971	20.2
134.03314	0.3
135.00899	1.2
135.04515	1.4
136.57881	0.3
136.98817	17.0
137.02386	0.3
137.99603	0.4
138.01968	1.2
139.00381	3.1
141.03474	2.0
143.05087	2.3
144.02196	0.9
145.02934	1.5
145.06618	0.5
147.04572	3.1
149.02426	0.3
150.05681	0.4
153.03439	0.4
153.09129	0.4
154.04251	0.5
155.05034	3.0
157.02951	2.6
158.03732	1.9
159.04504	2.5
160.01643	0.5
161.02452	3.1
163.00368	0.4
163.04022	0.4
164.98300	13.8
165.99098	2.2
166.01418	0.3
166.99820	1.1
167.05014	0.6
169.02986	1.1
171.04530	6.6
172.05002	0.3
173.02449	4.2
174.03183	0.6
175.04022	3.8
177.01891	0.6
181.02959	0.6
181.67676	0.3
182.03712	3.0
183.04518	6.1
184.01683	0.4
184.04898	0.4
185.02446	9.2
187.04079	1.9
194.99356	0.5
197.02470	0.9
198.03246	2.1
199.04021	13.3
200.01134	2.5
200.04239	0.6
200.75810	0.3
201.01935	12.9
202.02484	0.8
203.03496	1.6
209.02473	0.8
210.03168	0.8
211.04028	1.9
211.13477	0.3
212.01193	0.5
213.01930	6.4
214.02580	0.7
214.04614	0.3
215.03465	1.3
225.01961	0.4
226.02669	1.7
227.03508	11.6
228.03824	0.5
229.01416	1.1
231.02957	0.7
242.02391	0.4
243.02994	2.6
253.01437	0.7
255.03047	3.0
255.05536	0.4
255.06816	0.5
255.10107	0.4
271.02490	12.0
272.02838	0.8
284.03265	2.9
299.01993	100.0
300.02350	6.7
300.05270	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	299.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80315	0.6
63.02390	1.6
65.00331	13.5
67.01906	1.0
69.49105	1.9
70.51784	0.5
72.49522	0.5
86.67428	0.6
91.01933	3.2
92.99813	1.6
95.01384	1.3
96.96033	1.3
96.99327	1.9
98.95602	2.0
107.01389	1.0
108.99326	0.7
115.05499	1.0
117.03488	0.9
119.01458	0.8
119.05049	1.9
125.00118	1.1
128.74052	0.5
132.02174	1.8
133.02971	66.4
134.03334	2.4
135.00894	6.7
135.04547	2.0
136.98808	8.3
143.05054	2.6
145.02936	0.8
155.05046	0.8
157.02927	1.0
159.04498	2.0
163.00386	8.8
164.98293	8.7
165.99106	1.2
171.04497	4.3
173.02458	1.0
175.03999	3.2
183.04520	1.7
185.02435	1.2
187.04045	1.4
188.73834	0.6
198.03201	2.7
199.04024	40.8
200.04401	1.9
201.01973	9.6
203.03560	1.7
209.02538	0.6
211.04077	0.8
212.04822	0.9
215.03506	1.4
217.00372	0.7
225.01950	0.6
226.02704	1.2
227.03517	9.8
228.04158	0.7
229.01416	0.7
243.02995	9.4
253.01541	0.6
255.02957	5.6
271.02499	16.2
272.02902	0.7
281.00955	0.8
282.01724	1.1
284.03314	5.7
299.01999	100.0
300.02274	5.5
300.05219	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	299.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
63.02398	1.9
65.00328	12.1
67.01878	0.8
68.16908	0.4
70.50983	0.8
91.01907	2.3
92.99836	1.1
95.01405	1.1
96.67561	0.4
96.99332	2.2
98.22607	0.5
105.03490	0.4
107.01406	1.2
108.99327	0.7
109.02946	0.5
110.94084	0.5
115.05576	0.5
117.03476	0.7
119.01386	0.9
119.05061	0.9
120.99337	0.4
125.00177	0.8
132.02234	1.9
132.03081	0.4
133.02969	69.9
134.03305	2.1
135.00906	7.3
135.04530	1.4
136.98819	7.2
141.59772	0.4
143.05045	2.5
143.98128	0.5
145.02951	0.8
155.05066	1.0
157.02957	1.0
159.04535	2.9
161.02473	0.7
161.06122	0.4
163.00394	8.2
164.98312	8.0
165.99025	0.8
171.04497	3.0
173.02505	1.1
175.04054	3.2
182.03741	0.5
183.04544	2.1
185.02484	1.6
187.04025	0.7
189.05518	0.5
197.02486	1.0
198.03201	3.1
199.04030	42.1
200.04301	1.9
201.01968	7.8
202.02309	0.7
203.03558	2.5
204.92387	1.1
211.03935	0.9
213.01955	0.8
214.02722	0.5
215.03558	1.7
225.01947	0.6
226.02798	1.0
227.01277	0.6
227.03531	10.3
228.04037	0.5
243.03003	9.9
244.03278	0.5
253.01535	1.0
255.03015	5.2
255.05853	0.5
257.00961	0.5
269.76297	0.4
271.02493	13.5
281.00916	1.1
284.03278	6.5
299.02002	100.0
300.02417	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	299.02
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
62.47835	0.4
63.02404	1.5
65.00329	13.6
67.01890	0.7
68.99811	0.8
69.27715	0.8
69.28111	1.8
78.79152	0.4
83.74262	0.3
91.01907	3.0
92.99818	1.1
93.03480	0.6
95.01380	0.5
96.99336	1.8
97.08791	0.3
97.15620	0.4
107.01414	1.2
108.99331	0.5
109.02982	0.4
110.00090	0.8
111.00938	0.4
115.05547	0.5
119.01431	0.7
119.05006	0.8
132.02196	1.7
133.02969	67.2
134.03247	1.9
135.00908	7.3
135.04451	0.6
136.98819	8.0
137.02458	1.1
143.05040	1.9
145.02983	0.5
147.04591	0.6
155.05040	0.6
157.02965	1.1
159.04495	1.7
161.02385	0.5
163.00375	8.6
163.03989	0.8
164.98314	6.8
169.02977	0.4
171.04500	3.6
173.02463	1.1
174.03186	0.3
175.04022	2.2
182.03706	0.4
183.04495	1.8
185.02460	1.3
187.04005	1.0
197.02451	0.7
198.03230	2.5
199.04021	40.6
200.04341	1.8
201.01942	8.5
203.03499	1.3
210.03281	0.5
211.04024	0.6
213.01912	1.0
215.03491	1.4
217.00311	0.5
225.02029	0.4
226.02797	1.5
227.03520	10.2
228.04207	0.7
242.02148	0.6
243.03021	9.2
244.03412	0.5
251.33685	0.4
253.01628	0.7
254.02051	0.5
255.02997	5.3
257.00870	0.5
271.02518	16.3
272.02939	0.9
281.00775	0.7
282.01895	0.4
284.03357	1.3
299.01993	100.0
300.02567	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	299.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	5.8
67.11986	0.2
69.53830	1.1
69.54164	0.2
82.00596	0.4
91.01907	0.7
92.99811	0.3
94.00577	0.3
95.01391	0.7
108.02172	0.3
110.00105	4.9
110.08891	0.2
117.03510	0.7
119.01395	1.4
120.02177	0.6
120.99381	0.3
122.00140	0.4
131.05101	0.3
132.02142	0.3
133.02971	11.9
133.97414	0.3
134.03302	0.5
135.00903	2.7
135.04530	1.0
136.98819	6.6
137.02457	0.6
137.99586	0.9
138.90532	0.2
143.05025	0.7
145.03073	0.3
148.98795	0.3
155.05074	1.2
156.05762	0.4
157.02988	0.4
158.03751	0.3
159.04526	0.8
163.00389	14.1
164.01151	2.3
164.98320	1.8
165.99075	3.8
167.05099	0.3
171.04515	1.0
172.05251	0.4
173.02443	0.3
175.04051	0.7
183.04514	1.5
184.05174	0.5
185.02458	0.9
186.03107	0.7
187.03992	1.6
188.04752	0.3
190.99907	0.4
195.04597	0.8
198.03253	0.4
199.04025	8.1
200.04794	2.9
201.01978	1.6
203.03569	1.3
211.03996	1.7
212.04823	2.5
214.02699	1.9
215.03516	0.6
227.03508	4.9
228.04236	1.6
239.03476	0.9
240.04314	1.0
243.02979	1.9
247.33337	0.3
255.03004	4.0
256.03726	1.3
271.02454	2.3
281.00800	0.3
281.08273	0.2
282.01657	0.4
283.02478	3.2
284.03281	100.0
285.03613	5.5
299.01984	16.3
299.05621	29.3
300.02487	2.0
300.05981	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	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95765	0.5
57.62523	0.5
63.99543	1.7
64.54385	0.5
65.00328	2.2
66.11199	0.6
68.99823	16.2
69.03265	2.5
69.03669	1.4
69.16245	0.5
71.23361	0.5
88.66913	0.5
92.99826	8.7
93.00380	0.7
95.21932	0.5
95.81351	0.5
99.00891	86.2
100.01216	1.1
121.66684	0.5
123.00901	73.0
124.01249	1.9
127.05561	0.6
133.03009	0.7
136.98869	0.8
167.05014	1.5
171.04501	3.3
194.99367	100.0
195.04477	2.1
195.99796	3.6
199.04138	0.8
223.04010	1.2
227.03416	0.7
227.83466	0.5
239.03409	1.1
267.02991	7.9
284.03366	0.8
299.01962	3.2
299.05597	32.2
300.02399	0.7
300.05930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	alnusin
Peak:m/z	Relative Intensity
56.95621	0.1
59.80257	0.1
64.04185	0.1
65.00327	4.0
66.01111	0.5
68.99813	0.8
69.86738	0.4
72.99308	0.4
81.03500	0.2
82.00610	6.2
83.72425	0.1
93.03462	0.2
94.00615	0.6
95.01395	0.3
96.99322	0.3
99.00888	0.7
108.02176	0.3
108.99288	0.2
110.00105	45.1
111.00353	0.7
117.03480	0.9
119.05036	8.3
120.02165	0.5
120.05393	0.1
122.00123	0.8
123.00888	0.7
124.01665	0.3
124.98833	0.4
125.02508	0.7
125.99577	0.3
133.02965	0.8
134.00060	0.2
135.00856	0.2
136.98830	1.3
137.02466	0.3
137.99602	17.2
138.99991	0.3
141.99083	0.3
143.05034	0.7
146.03749	0.6
149.99582	0.6
151.00290	0.2
152.98270	0.2
153.01939	3.1
155.04944	0.2
158.03729	0.6
159.04433	0.4
161.02449	0.3
163.00378	1.2
164.01176	2.2
164.98309	0.5
165.01932	0.3
165.99084	36.7
166.99390	1.0
167.04982	0.6
168.00800	0.2
170.03690	0.3
171.04503	0.3
172.05318	0.3
177.99069	0.4
181.01419	2.7
182.01604	0.2
182.03703	0.2
183.04504	1.5
184.05258	0.4
185.02464	1.1
187.04013	2.2
188.04770	0.8
189.99208	0.2
190.99886	1.1
193.01468	0.2
194.99307	0.8
195.04582	0.4
196.05374	0.4
198.03314	0.2
199.02454	0.2
199.04005	0.7
200.04831	2.4
211.04013	2.0
212.04819	5.4
213.01869	0.7
213.05280	0.3
214.02734	4.3
215.03220	0.3
216.04333	0.4
223.04012	0.5
227.03520	3.1
228.04254	1.3
231.06761	0.2
238.02686	0.2
239.03529	0.9
240.04291	2.0
242.02205	0.5
255.02936	1.1
255.06696	0.3
256.03738	0.9
257.04590	0.3
266.02185	0.4
267.03000	1.6
271.02365	0.3
283.02457	0.9
284.03278	100.0
285.03632	6.3
285.06894	0.3
299.05612	89.2
300.02704	0.2
300.05948	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	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88944	0.5
57.47444	0.4
60.36293	0.5
65.00330	16.7
70.04805	0.6
70.05141	1.0
74.68428	0.4
98.22505	0.6
108.02208	1.1
108.99343	1.1
110.00145	0.9
117.03544	2.0
119.01418	1.0
136.98814	20.4
139.00436	0.5
149.99634	1.8
156.05833	0.8
158.03763	1.6
164.01117	2.4
164.98308	0.5
165.99112	1.2
183.04509	2.6
183.61339	0.5
184.05345	1.8
185.02492	1.2
186.03267	3.3
187.03978	0.7
190.99921	0.6
199.04025	0.9
200.04764	4.3
211.04033	2.4
212.04797	4.8
213.01874	0.5
214.02750	1.0
227.03517	5.4
228.04266	3.4
239.03470	0.8
255.03030	1.7
256.03854	1.3
276.36533	0.4
283.02542	4.3
284.03287	100.0
285.03635	5.2
290.75961	0.5
299.05621	35.5
300.05930	2.0
301.19241	0.5
311.58447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	Koparin
Peak:m/z	Relative Intensity
63.02405	0.8
65.00327	3.0
69.21037	0.4
69.66000	1.1
69.66349	0.7
76.48433	0.3
83.01395	0.9
94.00611	0.4
95.78665	0.3
98.21984	0.7
107.01390	2.6
115.91250	0.4
132.02202	0.5
133.02962	5.1
134.03741	1.2
136.98817	3.0
148.01668	0.9
149.99619	0.9
151.00391	3.0
155.93697	0.3
164.01149	0.5
165.01918	0.6
170.11992	0.4
183.04533	1.0
184.05180	0.5
186.03159	0.4
188.04839	0.4
199.04025	0.9
200.04729	1.2
206.41296	0.4
211.04010	1.4
212.04744	0.8
215.03632	0.3
227.03476	2.2
228.04216	0.9
239.03574	0.5
240.04097	0.4
243.03159	0.4
255.02991	1.3
256.03717	4.4
283.02402	2.0
284.03287	100.0
285.03638	5.5
299.05621	86.8
300.05942	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	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25636	0.3
65.00330	13.8
67.23395	0.3
67.58213	0.2
84.54856	0.2
92.02691	0.2
108.02209	0.7
108.99293	0.6
110.00134	0.9
117.03445	1.2
119.01414	0.7
130.04260	0.5
132.05785	0.3
136.98817	18.4
137.99168	0.3
139.00421	0.6
149.99605	1.5
155.05118	0.3
156.05820	1.1
158.03697	1.1
159.04463	0.4
163.00389	0.7
164.01187	1.9
164.98259	0.5
165.99095	1.0
166.99831	0.5
177.99106	0.3
183.04498	2.3
184.05330	2.0
185.02481	1.1
186.03255	3.2
187.04008	0.4
199.04045	0.8
200.04816	2.5
211.04012	2.2
212.04826	4.4
214.02782	0.7
216.04279	0.4
227.03517	3.9
228.04280	2.5
239.03487	0.8
240.04419	0.3
255.02951	1.5
256.03760	1.5
283.02509	4.5
284.03281	100.0
285.03622	5.1
299.05618	39.6
300.05978	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	4.5
66.01101	0.6
68.99818	1.9
72.99313	0.5
77.02015	0.2
77.17686	0.2
82.00613	5.1
90.14603	0.3
92.99792	0.6
94.00645	0.3
95.01405	0.3
96.99323	0.4
98.22655	1.1
99.00886	6.7
107.01421	0.2
107.87948	0.2
110.00106	36.6
111.00386	0.6
117.03503	0.4
120.02180	0.7
121.62906	0.3
122.00115	0.6
123.00896	6.1
124.98858	0.3
133.02960	1.8
135.00853	0.4
136.98828	1.1
137.02467	0.7
137.99605	11.7
141.99100	0.4
143.05005	0.8
146.03702	0.4
157.02979	0.3
158.66876	0.3
161.02454	0.5
163.00386	1.0
164.01175	2.4
164.98311	0.8
165.99086	25.6
166.99463	0.6
171.04480	0.7
172.05318	0.3
173.02515	0.3
175.03958	0.4
178.02658	0.4
183.04536	1.3
185.02379	1.2
187.04066	2.1
188.04762	0.9
189.99007	0.3
190.99911	0.6
194.99371	8.5
199.04051	1.3
200.04839	1.8
201.02013	0.7
211.04056	1.4
212.04807	3.8
213.01968	0.7
214.02716	3.8
227.03531	3.7
228.04257	0.6
239.03497	1.1
243.02930	0.6
255.03003	0.7
256.03723	0.8
266.02011	0.3
267.02945	1.7
271.02478	1.0
283.02567	0.4
284.03278	100.0
285.03616	5.7
299.01990	7.3
299.05557	47.4
300.02744	0.6
300.05914	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	299.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91700	0.2
65.00327	3.5
66.01102	0.8
68.99821	0.7
72.99310	0.5
77.96489	0.2
80.49033	0.2
82.00606	7.0
93.03481	0.4
94.00603	0.4
96.99317	0.3
99.00900	0.2
108.02166	0.3
108.14213	0.2
110.00105	46.8
111.00420	0.9
116.69934	0.2
117.03459	0.6
119.05034	9.1
120.02209	0.5
120.05336	0.2
120.99340	0.2
122.00089	1.1
123.00859	0.3
124.01663	0.3
124.98838	0.4
125.02457	0.8
133.02962	0.8
135.00833	0.2
136.98807	0.8
137.02451	0.4
137.99600	15.7
139.00024	0.3
141.99062	0.3
143.05037	0.4
146.03745	0.4
149.99606	0.3
153.01953	3.0
154.04242	0.3
158.03656	0.3
159.04492	0.3
163.00423	1.0
164.01160	2.2
164.98305	0.2
165.02032	0.4
165.99084	34.7
166.99364	1.0
167.05042	0.4
168.00644	0.3
170.03726	0.3
181.01430	3.1
183.04498	1.4
184.05348	0.3
185.02429	0.9
187.04019	2.1
188.04778	0.8
189.99107	0.2
190.99858	1.0
195.04510	0.5
196.05286	0.6
198.03178	0.2
199.03986	0.7
200.04799	2.6
206.02222	0.2
211.04016	2.1
212.04807	5.0
213.01895	0.7
214.00856	0.4
214.02719	4.0
215.03125	0.2
216.04245	0.3
223.04010	0.4
227.03506	3.0
228.04248	0.8
239.03546	0.9
240.04276	2.1
242.02257	0.6
255.02995	0.9
255.06642	0.7
256.03830	0.9
257.04462	0.4
266.02170	0.6
267.03015	2.0
283.02448	0.6
284.03275	83.2
285.00375	0.3
285.03577	4.6
299.05609	100.0
300.05966	7.0
300.08963	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55239	0.4
65.00332	13.9
69.33887	0.4
70.03891	1.1
71.12547	0.3
75.04974	0.4
108.02182	0.5
108.99342	0.6
110.00104	0.7
117.03448	2.0
119.01395	0.8
119.05005	0.6
136.98819	18.7
139.00397	0.7
149.99600	1.2
155.05045	0.9
156.05890	0.9
158.03743	1.2
163.00374	0.6
164.01167	1.6
165.99117	1.4
177.99146	0.4
183.04526	2.3
184.05380	1.6
185.02507	1.1
186.03223	3.0
187.03857	0.4
190.99907	0.8
199.04033	0.8
200.04803	2.8
211.04005	2.6
212.04803	4.8
214.02794	0.9
227.03574	4.5
228.04382	3.1
239.03487	0.9
255.03012	1.8
256.03824	2.4
283.02466	4.2
284.03293	100.0
285.03629	5.1
299.05637	32.9
300.05920	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	5.0
69.17333	5.4
69.17678	0.9
82.00615	6.9
88.69518	0.8
95.05758	0.9
110.00105	43.8
112.82323	1.0
119.05038	7.4
120.02184	1.2
124.98744	1.1
136.98851	1.1
137.99620	16.1
143.05037	1.1
153.01945	3.0
164.01143	2.0
164.98283	1.1
165.99081	32.7
181.01450	3.4
183.04492	1.5
187.04031	1.3
188.04781	1.1
190.99843	1.6
200.04735	2.5
211.03987	1.8
212.04811	4.2
214.02725	2.6
227.03510	4.1
228.04340	1.0
234.90343	1.1
240.04175	1.1
242.02232	1.0
255.03198	2.2
256.03494	1.5
266.02264	1.0
267.03049	1.4
284.03278	95.7
285.03632	4.7
299.05609	100.0
300.05984	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	299.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	8.3
66.01122	0.5
69.60297	0.6
69.60696	1.0
82.00623	1.9
98.21900	0.5
107.01251	0.4
108.02232	0.8
108.99313	0.7
110.00103	13.1
117.03519	1.3
119.05052	0.5
122.00137	0.6
128.00659	0.4
135.04489	0.9
136.98813	11.8
137.02521	0.5
137.99622	4.9
149.99603	0.6
156.05898	0.7
158.03737	0.6
163.00381	0.8
164.01190	1.5
165.97649	0.5
165.99088	10.4
166.99371	0.6
179.03474	0.8
179.80821	0.4
183.04578	1.9
184.05331	1.2
185.02452	1.0
186.03175	2.1
187.04007	1.0
190.99948	0.6
199.04066	1.2
200.04813	2.4
211.04044	1.8
212.04816	4.4
214.02736	1.6
227.03568	2.7
228.04230	2.3
239.03677	0.6
255.03026	1.3
256.03830	1.6
267.02924	0.7
283.02509	3.3
284.03287	100.0
285.03607	5.8
299.05630	41.2
300.05923	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	299.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31086	0.3
51.82716	0.3
65.00330	10.4
70.00675	1.1
70.17830	0.3
71.66318	0.3
82.00661	0.4
93.03460	0.8
98.21873	0.4
103.93400	0.3
104.06894	0.3
105.83804	0.3
108.02208	0.8
108.99365	0.8
110.00137	1.9
114.15798	0.3
117.03462	1.9
119.01498	0.5
119.05034	2.4
123.00925	0.6
126.08816	0.3
132.05753	0.4
133.02992	0.7
135.00928	0.3
135.04599	0.8
136.01576	0.4
136.98820	16.4
137.02440	0.4
137.99574	0.3
139.00484	0.5
149.99657	1.6
151.00389	0.5
156.05869	0.8
158.03763	0.7
163.00369	0.8
164.01178	1.8
164.98341	0.7
165.99123	1.2
169.31027	0.3
179.03552	1.6
183.04501	2.1
184.05362	1.8
185.02528	0.8
186.03229	2.7
187.04054	1.0
190.99951	0.7
199.04082	1.6
200.04771	2.5
205.01553	0.5
211.03989	1.9
212.04803	4.2
214.02727	0.8
217.00349	0.5
227.03528	4.3
228.04297	2.3
234.78314	0.4
238.02893	0.4
239.03554	1.5
240.04367	0.5
255.03027	2.4
256.03760	2.8
266.02176	0.8
283.02521	3.5
284.03287	100.0
285.03613	6.4
299.05615	42.3
300.05991	2.5
302.77106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0776
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
59.01389	9.8
65.00330	2.1
65.03972	0.9
67.01910	0.9
70.12936	0.7
71.01387	2.8
71.43951	0.8
73.02945	1.6
85.02950	1.4
87.00913	0.8
88.04032	1.0
90.50399	0.6
93.03471	69.9
94.03807	2.0
95.01382	1.7
99.00887	0.9
101.02455	1.5
108.02151	1.0
109.02976	1.6
113.02470	0.9
117.03477	9.8
119.01412	1.1
123.03301	0.8
123.04541	4.5
127.00414	4.6
132.98303	0.7
133.02974	1.2
135.04564	4.1
136.98845	2.3
137.02467	100.0
138.02809	2.5
138.05627	12.3
139.47122	0.8
145.06198	0.8
157.86252	0.6
159.04549	0.9
161.02455	3.1
167.03539	0.6
171.04553	1.0
174.99220	3.2
191.07045	0.8
196.05437	1.0
201.05751	1.5
210.06937	0.8
211.07701	5.6
213.05449	0.9
217.00346	13.0
218.98325	0.7
227.03653	1.0
227.07045	1.6
228.07765	0.8
237.05600	0.9
253.05051	3.3
255.06618	4.3
257.04407	1.1
281.04407	3.3
281.07089	0.9
284.03296	11.9
299.05652	9.1
299.08151	3.6
299.11261	1.3
299.20056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29563	3.9
59.01385	100.0
65.00324	8.7
71.01389	5.0
71.43501	4.7
78.95906	28.9
93.03464	21.7
95.01351	5.6
98.38331	4.1
104.65726	4.7
114.05672	6.3
117.03492	4.9
123.04524	4.8
132.98116	5.7
133.02994	6.1
136.98811	9.0
137.02463	26.8
137.06085	6.7
139.68208	4.3
157.81882	5.2
173.64018	5.2
174.99269	19.3
179.03531	5.2
200.04675	5.5
201.02615	31.0
201.12460	7.8
202.02640	4.8
214.90335	5.3
217.00311	68.7
269.09988	12.6
284.03253	72.0
284.18704	5.3
298.91626	5.9
299.05505	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01385	17.7
59.60410	0.3
61.13944	0.3
63.27976	0.4
65.00317	0.5
65.03918	0.4
69.14623	0.7
69.15031	1.0
71.01387	10.8
73.02957	0.8
75.31536	0.3
83.01398	0.7
85.02964	2.1
89.02448	8.0
93.03469	63.0
94.03792	1.5
95.01410	0.9
98.21912	0.7
99.00870	0.4
101.02456	5.1
108.02168	0.5
113.02474	3.4
116.38298	0.3
117.03468	0.7
119.03541	3.9
119.05029	5.8
119.05826	0.5
123.04552	1.3
135.04515	0.6
137.02460	100.0
138.02803	2.8
138.05602	0.7
161.04602	0.4
174.99263	1.0
184.29102	0.3
211.07663	0.4
217.00317	3.5
230.72050	0.3
253.05119	0.5
271.06198	0.3
284.03381	2.8
299.02460	0.5
299.05450	1.3
299.07877	1.4
299.11313	0.6
299.15530	0.4
323.97610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03458	1.2
58.00603	0.9
59.01384	100.0
60.98130	0.8
65.00341	1.4
71.01385	46.6
71.17509	1.1
72.99333	1.6
73.02931	1.6
79.82075	0.7
81.26411	0.7
83.01411	2.4
85.02954	8.4
87.00900	1.7
89.02449	56.3
93.03459	10.6
93.03934	0.8
95.01392	4.0
101.02448	26.4
108.02168	1.5
112.44043	0.7
113.02467	19.0
117.03502	1.8
119.03527	23.0
119.05028	30.4
120.05410	0.9
123.04540	3.6
131.03529	2.0
135.04556	1.6
137.02458	18.3
137.06134	3.4
138.05667	3.4
143.03574	1.2
149.04588	1.4
152.01216	1.0
161.02480	1.0
161.04623	1.7
174.99295	1.7
179.05685	2.3
211.07614	1.2
217.00296	5.6
220.13785	0.9
245.30121	0.8
255.06812	0.9
284.03262	4.7
299.02463	1.0
299.05264	1.5
299.07925	2.6
299.11514	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	299.1138
Annotation	Salidroside
Peak:m/z	Relative Intensity
52.95237	0.4
53.73331	0.4
55.01888	1.0
57.03468	0.8
58.00599	1.4
58.64463	0.4
59.01384	100.0
60.01727	0.9
65.00334	5.1
65.43867	0.3
66.24207	0.3
67.57695	0.3
71.01388	50.3
71.41486	0.5
72.99319	2.3
73.02950	1.7
74.99123	0.8
75.00886	0.8
79.95744	0.4
83.01383	2.0
85.02962	9.2
87.00901	2.1
89.02453	60.7
90.02772	1.0
92.99835	0.6
93.03444	0.7
95.01399	3.7
96.99297	1.0
99.00896	0.3
101.02454	29.7
102.02811	0.5
108.02133	0.5
113.02462	20.0
117.03481	1.0
119.03540	24.1
119.05031	35.6
120.05385	0.7
123.03256	0.6
130.08771	1.8
131.03523	2.3
133.02954	1.2
135.04544	0.7
135.98347	0.8
136.98824	3.4
137.02437	0.7
137.06097	3.2
138.05624	8.9
143.03496	2.4
143.05035	0.7
143.20512	0.4
145.02928	1.0
147.04507	0.7
149.02414	0.3
149.04539	1.5
155.04973	1.0
157.02843	0.6
157.13480	0.5
159.04482	0.4
161.02423	0.4
161.04585	1.7
163.00362	0.7
164.98274	4.2
167.01700	0.6
171.04449	1.4
173.02388	0.7
174.99249	0.6
175.04025	0.8
177.01976	0.4
179.05608	2.1
180.06676	0.4
183.04475	1.6
185.02394	0.9
185.16611	0.5
187.03984	0.9
192.04390	0.7
193.76895	0.4
198.03047	0.5
199.03996	2.7
201.01875	0.5
201.05301	0.4
203.03532	0.9
204.92313	0.4
211.04292	1.8
213.01846	1.3
217.00348	1.8
226.02727	0.4
227.03566	3.8
228.03987	0.5
234.53638	0.4
243.02814	1.3
255.02911	1.5
255.05800	0.3
271.02307	1.5
284.00714	0.4
284.03329	5.4
299.01834	4.4
299.05466	3.0
299.11227	3.4
299.14633	0.7
300.02414	0.5
300.05493	0.4
300.10818	1.3
300.15933	0.6
300.19238	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	299.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
61.12312	0.2
70.35390	0.4
70.35728	0.3
78.95908	0.7
82.06607	0.3
84.08219	0.2
88.04044	0.2
93.04565	0.2
98.22535	0.2
102.12890	0.2
122.02466	0.5
130.08754	100.0
131.04596	0.5
131.08315	0.3
131.09120	2.5
133.05115	0.2
136.98851	0.3
173.10411	0.3
189.07840	0.2
201.02542	0.3
241.25148	0.2
284.03278	1.6
299.05692	0.5
299.13843	1.8
300.03656	0.4
310.05151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2019
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
50.19045	0.2
59.01367	0.8
65.00332	3.0
68.99831	0.2
72.74744	0.2
82.00604	0.3
95.01385	0.2
96.99321	0.4
110.00101	1.9
111.00931	0.2
117.03452	0.3
131.04936	0.2
133.02959	1.4
136.98811	1.3
137.99629	0.3
139.00360	0.3
143.05040	0.7
147.04596	0.3
150.83296	0.2
155.05011	0.3
157.02971	0.2
164.98337	0.6
165.99121	1.5
167.05006	0.2
171.04515	0.6
172.64952	0.2
173.02495	0.3
183.04529	0.3
184.05318	0.2
185.02452	0.4
199.04002	0.8
201.01897	0.6
211.04077	0.5
213.01938	0.5
213.09277	0.4
214.09943	0.5
215.03055	0.2
215.10710	0.4
217.00270	0.9
227.03526	1.1
227.10789	8.5
228.11267	0.8
241.12422	0.5
255.03027	0.4
269.15463	0.8
271.02493	0.8
283.16995	1.0
284.03278	9.2
284.17859	0.3
285.03568	0.7
299.01981	6.2
299.05618	4.5
299.20169	100.0
300.02408	0.6
300.05673	0.5
300.20517	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	299.2595
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
61.06481	0.6
62.19793	0.6
63.81062	0.6
65.00329	2.5
69.20826	0.6
70.84129	0.7
84.02145	0.7
103.98660	0.5
132.30566	0.6
136.98822	3.4
164.01039	0.7
183.04581	0.5
200.04842	1.1
225.22379	0.7
249.22356	0.6
251.23842	4.1
253.25391	67.2
254.25784	4.1
281.24899	1.6
283.02304	0.6
284.03284	18.4
285.03693	1.2
299.05615	5.6
299.25940	100.0
300.06042	0.7
300.26318	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
59.01375	1.9
64.45608	0.6
65.00333	7.2
70.35352	0.6
70.35674	0.9
88.52360	0.5
98.21935	0.6
100.55153	0.5
108.02174	0.8
117.03452	0.6
125.08118	0.5
133.02983	1.9
136.98817	8.7
137.67210	0.4
139.11282	0.7
141.12852	3.1
156.05885	0.8
163.00385	0.9
164.01134	0.9
164.98254	0.6
165.99109	0.6
183.04504	1.0
184.05321	0.7
185.02385	0.8
186.03284	2.0
199.03923	1.3
200.04770	1.6
211.04053	1.0
212.04787	3.0
227.03554	2.2
228.04294	2.1
239.03491	0.6
253.25316	1.7
255.02965	1.1
256.03778	0.7
271.02509	0.7
281.24899	2.2
283.02515	2.8
284.03287	55.7
285.03555	5.2
297.13974	0.6
297.24359	1.2
299.01965	2.4
299.05591	19.4
299.16666	1.8
299.20593	18.1
299.25919	100.0
300.02673	1.0
300.05945	1.6
300.20453	1.5
300.26242	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	300.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02407	0.2
65.00327	28.6
66.00671	0.5
67.01881	0.1
68.99822	0.6
78.60728	0.1
82.00592	0.7
83.01411	0.3
83.33006	0.1
91.01893	0.1
92.99828	0.3
93.03462	0.3
94.00611	0.4
95.01387	0.5
96.99339	0.6
97.76286	0.1
98.00029	0.1
105.03442	0.1
107.01411	0.3
108.02171	1.4
108.99312	1.2
109.02976	0.1
110.00105	5.3
110.00866	0.3
111.00909	1.5
117.03505	0.7
119.01404	1.1
119.05032	3.2
120.02193	0.4
120.05393	0.3
121.02953	0.2
122.00117	0.6
122.34383	0.1
123.00903	0.5
124.01698	0.6
124.98831	0.5
130.04236	0.3
132.02132	0.8
132.44740	0.1
133.02959	5.8
134.03777	4.1
135.00909	0.4
135.04541	1.5
136.01688	0.4
136.98810	20.3
137.99680	0.9
139.00386	2.5
143.05029	0.6
144.05794	0.2
145.02985	0.3
146.03740	1.0
147.04536	0.4
148.01703	0.2
148.05316	0.7
149.99602	1.8
151.00374	0.6
152.01169	0.3
155.05070	0.3
157.03012	0.4
157.08714	0.1
158.03746	0.8
159.04509	0.6
160.01700	0.2
161.02484	0.5
163.00359	0.9
163.03955	0.2
164.01134	1.3
164.98297	1.5
165.99081	4.5
166.99867	1.0
169.02924	0.1
170.03786	0.2
171.04535	1.0
172.05315	1.9
173.02454	1.4
174.03235	2.4
175.04004	1.8
176.04662	0.2
177.99057	0.3
180.00655	0.3
181.01442	1.3
182.03777	0.4
183.04518	1.1
184.05220	0.2
185.02480	1.2
185.06094	0.1
186.03291	0.4
187.04007	1.3
188.04816	1.5
189.01877	0.1
189.05348	0.3
190.99899	0.4
192.00595	0.3
195.02962	0.3
197.02435	0.2
198.03232	0.8
199.02539	0.2
199.04013	5.9
200.04773	2.9
201.01945	8.0
202.02701	2.7
203.03548	0.7
204.04121	0.2
207.03040	0.2
210.03264	0.3
211.04051	1.1
212.04706	0.4
213.01935	1.3
214.02725	0.8
215.03510	2.1
216.04268	3.9
217.04579	0.2
226.02722	0.7
227.01241	0.2
227.03502	4.9
228.04269	4.5
229.01419	0.6
229.04626	0.3
230.02200	1.5
230.05759	0.2
231.02875	0.3
239.03482	0.4
241.01497	0.4
243.02969	3.4
244.03641	1.1
253.01340	0.1
254.02179	0.4
255.02997	3.0
256.03845	0.7
257.04611	0.7
259.02426	0.1
271.02518	1.7
272.03156	1.7
273.03619	0.1
282.01718	0.2
283.02484	3.7
284.03113	0.3
285.03912	0.4
286.04855	0.8
298.98511	0.2
299.01968	3.7
300.02747	100.0
301.03214	9.0
301.07156	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	300.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10534	0.3
57.37877	0.3
62.92059	0.3
65.00330	29.0
66.00671	0.8
66.89162	0.3
68.99815	0.9
69.64055	0.8
75.65384	0.3
82.00613	1.0
82.55923	0.3
86.17271	0.3
94.00603	0.5
95.01406	0.4
96.99318	0.5
108.02174	1.3
108.99314	1.2
110.00105	4.3
111.00928	1.7
119.01443	0.5
120.02168	0.4
120.98394	0.4
123.00948	0.4
124.01719	0.4
124.98803	0.4
132.02162	0.4
133.02962	6.8
134.03809	3.8
135.00899	0.5
135.04555	2.3
136.98830	20.2
137.02429	0.5
137.99197	1.1
139.00395	2.2
143.05016	0.5
145.03012	0.4
147.04567	0.6
148.05238	0.5
149.99594	1.4
157.03004	0.5
158.03749	0.9
159.04533	0.6
161.02502	0.8
163.00412	0.9
163.04089	0.4
164.01219	1.6
164.98332	1.5
165.99112	3.9
166.99875	1.0
171.04535	0.9
172.05345	2.0
172.89394	0.3
173.02432	1.3
174.03305	2.5
175.04022	1.6
178.99979	0.3
183.04497	0.7
185.02472	1.2
186.03203	0.5
187.03966	1.2
188.04794	1.4
190.99927	0.4
198.03253	0.9
199.04044	5.7
200.04724	3.5
201.01961	8.4
201.04926	0.5
202.02708	3.0
203.03513	0.6
204.04453	0.3
211.04041	0.5
212.04704	0.8
213.01913	1.4
213.05133	0.5
214.02591	0.5
215.03569	1.8
216.04253	3.6
226.02756	0.7
227.03542	4.9
228.04256	4.7
229.01454	0.7
229.04764	0.6
230.02174	1.4
243.03030	2.6
244.03743	1.1
255.03014	1.6
256.03845	0.9
271.02524	2.0
272.03195	1.2
283.02512	1.4
284.03107	1.5
285.03635	14.4
286.04352	0.9
299.01981	3.4
300.02777	100.0
300.05817	6.4
301.03238	8.4
301.06726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1567
Annotation	(Ac)2-L-Lys-D-Ala
Peak:m/z	Relative Intensity
58.02981	7.4
59.01371	4.1
60.26854	1.6
71.46981	2.0
72.99332	2.3
74.02465	3.8
78.95893	1.3
82.03004	2.6
83.01407	3.1
83.06149	6.9
84.04546	7.4
88.04045	21.7
92.99828	2.9
93.03474	2.0
101.07212	4.7
109.02988	3.6
109.04103	10.6
111.00890	6.3
112.07664	2.1
115.08806	6.5
117.03452	3.1
119.05044	58.9
123.00810	1.7
123.03307	3.3
123.04556	3.7
124.04857	2.3
126.09313	1.6
127.00444	11.0
127.05157	67.4
128.03560	8.0
129.10359	52.5
130.08806	1.5
135.04535	4.7
136.98854	2.7
137.02461	2.8
138.05635	27.6
143.05052	4.9
143.11916	3.7
145.06213	47.8
151.04031	5.2
152.07202	1.5
153.02017	1.7
153.10339	3.8
154.08745	12.3
154.10704	1.4
155.03539	2.3
155.08292	1.8
155.11935	4.4
161.06087	1.5
164.98253	1.5
170.29013	1.9
171.11391	2.9
187.04054	3.5
196.14577	85.2
197.14806	1.6
208.16309	1.4
213.05621	1.7
214.15619	41.9
215.15823	1.6
218.00655	1.9
223.10970	1.6
238.15637	6.7
248.54866	1.6
256.16708	12.8
257.04514	4.4
282.14624	10.0
300.05612	3.3
300.15668	100.0
301.03806	2.6
301.07147	2.9
301.15918	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	300.1934
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
53.45344	1.2
54.86025	1.3
57.97569	10.3
59.01366	2.4
65.00347	1.7
68.64812	1.2
70.02950	1.6
71.01376	1.4
79.95715	1.4
82.06646	1.7
87.05661	15.6
88.04037	2.0
93.03470	2.0
94.03844	1.4
102.05615	1.8
107.01402	1.6
111.00903	2.5
115.08768	2.6
116.07199	13.2
117.03474	4.4
118.02998	1.3
118.03793	1.9
119.05032	1.3
122.30295	1.1
127.00367	2.4
127.05108	7.9
127.96954	1.2
128.03557	3.7
128.98868	1.3
129.10400	1.5
130.08759	100.0
131.09111	2.1
135.04538	9.5
136.98778	2.6
137.02440	1.3
138.05609	5.5
139.00340	1.8
139.08795	5.5
140.10747	1.1
141.10358	6.6
143.11896	3.4
157.13463	4.4
161.02420	2.4
164.98315	4.8
169.09833	15.7
170.10098	1.4
170.44194	1.3
171.15161	1.5
172.09859	2.1
183.11415	2.7
185.16597	17.6
195.15042	1.2
212.08018	2.1
223.10860	2.3
256.06934	2.4
256.20364	18.0
257.09363	1.2
300.05869	3.3
300.19305	89.1
301.03549	2.5
301.14014	2.3
301.19604	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	301.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05502	0.7
59.01382	84.8
60.01715	0.8
65.00327	3.6
67.01937	0.6
70.15768	1.4
71.01381	3.2
72.99309	0.7
73.02953	1.6
78.95930	1.1
83.01397	1.8
83.06155	0.8
85.02960	1.6
87.00913	0.9
88.98801	0.8
92.99849	0.7
93.03487	0.7
95.01405	3.9
99.00863	0.7
101.02451	2.3
108.02212	0.6
109.02964	1.1
110.00145	3.0
111.00892	24.0
113.02462	2.4
115.02530	9.2
117.00449	10.0
118.00546	0.9
119.05035	14.7
121.02959	1.6
123.00897	59.2
123.04518	0.7
124.01742	4.9
131.08293	3.0
134.03777	1.5
135.04521	6.4
136.01610	0.7
136.98862	1.4
137.02443	1.4
138.03244	39.1
139.00389	27.3
139.04034	14.4
143.05029	1.3
149.02478	1.6
150.03249	0.9
150.05128	0.7
151.04041	1.2
154.99809	0.7
156.99976	0.7
157.03586	1.9
159.01505	100.0
160.01628	5.4
161.04585	2.0
163.04054	0.7
164.98297	1.9
165.99084	2.9
166.99892	1.7
172.01123	1.2
173.02342	0.9
173.10490	0.8
178.02765	0.8
179.03542	1.1
181.05060	3.7
186.19778	0.6
187.04076	1.7
193.04985	1.0
196.05760	3.5
201.02571	22.5
202.02657	1.3
213.05614	0.7
213.11324	0.8
217.00511	0.8
224.05315	3.1
238.06760	3.4
241.07922	2.4
255.09457	1.8
257.04413	2.1
259.01672	3.4
283.02200	1.0
286.04831	4.9
301.02713	44.6
301.06976	3.3
302.02835	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	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26822	0.3
65.00332	3.8
67.01887	1.0
68.99821	1.1
79.01897	0.7
82.00668	0.4
83.01391	3.4
92.69354	0.3
93.03480	0.4
95.01390	3.8
96.99306	1.0
99.00900	0.8
107.01401	2.8
107.05037	0.7
109.02946	0.7
109.76406	0.3
110.00107	1.1
111.00893	31.0
112.01225	0.8
117.03502	0.4
119.05068	0.3
120.99358	0.3
121.02962	0.8
123.00899	4.4
124.01253	0.2
124.98812	0.9
125.02436	1.9
127.00350	0.6
131.05026	0.4
133.02962	2.2
134.03758	2.1
135.00931	0.6
135.04536	11.7
136.98822	4.2
137.02458	1.2
139.00392	31.2
140.00821	0.6
143.05060	0.7
145.02901	0.5
147.04543	0.9
149.02420	1.8
151.00385	2.5
151.04025	0.4
157.06555	0.3
158.03735	0.7
159.04539	1.8
161.02469	1.5
163.00400	0.5
164.98329	2.3
165.01920	0.7
165.99130	1.4
166.99883	10.5
167.04984	0.4
168.00137	0.4
169.06654	0.4
171.04497	1.1
173.02455	0.4
173.06082	0.6
175.04076	0.6
177.01930	3.2
178.99875	2.1
183.04564	1.9
185.02539	0.9
185.06096	1.5
187.04042	2.4
189.05597	0.7
192.00647	0.9
193.01382	0.5
195.04510	0.5
199.04056	0.7
200.04716	0.3
201.01982	1.3
201.05632	2.2
203.03516	0.5
205.04927	0.3
210.03156	0.4
211.03995	2.6
213.02005	0.4
213.05588	0.6
213.98071	0.3
214.02719	0.9
215.03459	2.3
222.31476	0.3
227.03456	1.4
229.05014	1.2
233.04611	1.2
239.03462	2.3
241.01503	0.9
255.03008	2.3
256.03607	0.4
257.04620	1.0
258.01923	0.3
259.02414	1.4
273.04184	0.5
283.02469	1.6
301.03558	100.0
302.03915	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
62.94329	0.4
65.00330	2.2
67.01911	0.8
68.99483	0.3
68.99828	1.6
69.55931	1.7
79.21298	0.3
83.01396	5.9
85.88070	0.3
87.00890	0.9
92.99824	4.4
93.03447	0.4
97.11684	0.3
98.22619	0.4
104.44025	0.3
110.00126	0.8
111.00899	13.0
112.98846	0.5
117.03507	0.7
119.05041	100.0
120.05379	2.8
129.85413	0.4
135.04556	1.9
136.98807	3.1
137.02438	0.5
139.00386	1.4
143.05040	10.1
144.05399	0.4
145.02959	2.9
151.03986	0.4
154.99876	1.5
164.98302	1.0
165.99075	0.7
169.06711	0.6
185.06079	2.1
186.76308	0.4
187.04027	7.1
188.04312	0.4
213.05615	3.7
229.05078	0.6
255.61459	0.4
257.04587	8.0
258.04895	0.5
300.19202	0.5
301.03568	1.5
301.07184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	2.3
67.01897	1.0
68.99809	1.5
69.93773	1.8
83.01381	2.9
93.03476	1.0
95.01371	4.0
98.22493	0.9
99.00898	1.0
104.24532	0.6
107.01399	0.9
110.00108	0.9
111.00896	25.6
112.01271	0.6
118.11885	0.6
121.02972	1.4
123.00890	4.6
125.02457	2.1
133.02985	3.2
134.03734	2.6
135.04552	10.9
136.98827	3.3
139.00392	26.1
140.00819	0.7
149.02463	2.7
150.80655	0.6
151.00372	3.4
158.03677	0.9
159.04533	2.0
161.02408	1.5
164.98291	2.1
165.01839	0.6
165.99052	0.8
166.99890	13.0
171.04572	1.2
177.01955	4.7
178.99925	0.9
183.04530	1.8
184.11375	0.7
184.97035	0.7
185.02444	0.9
185.06113	1.1
187.04056	2.1
192.00610	0.7
201.05594	3.3
211.04004	3.1
215.03459	2.0
227.03502	2.2
229.05083	0.9
233.04483	0.8
237.02101	0.8
239.03558	1.8
241.01514	1.3
255.02963	2.3
257.04581	1.0
259.02512	1.5
273.04041	0.8
283.02472	1.6
301.03555	100.0
302.03906	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93239	0.1
65.00330	3.4
66.31630	0.1
67.01897	1.2
68.99818	1.4
69.03449	0.2
69.36674	0.5
71.01391	0.2
79.01898	0.4
81.03477	0.1
82.00603	0.2
83.01392	2.9
89.03974	0.1
92.99824	0.3
93.03477	0.4
95.01391	4.0
95.05053	0.2
96.99329	0.7
97.02954	0.3
99.00904	1.0
105.03448	0.2
107.01399	1.3
107.05025	0.3
108.02168	0.4
109.02964	0.7
110.00105	1.0
111.00889	27.0
112.01228	0.5
117.03474	0.3
119.01334	0.2
119.05016	0.2
121.02998	0.9
123.00893	5.1
123.04570	0.1
124.98821	0.6
125.01534	0.1
125.02456	2.4
130.04289	0.2
131.05023	0.4
132.02260	0.2
133.02975	3.1
134.03772	1.8
135.00900	0.4
135.04541	9.5
136.04883	0.4
136.98813	3.2
137.02434	1.0
137.99655	0.1
139.00388	26.1
140.00699	0.7
140.03654	0.1
141.01950	0.4
143.05066	0.7
145.02977	0.5
145.06570	0.5
147.00880	0.4
147.04517	0.5
149.02466	1.8
151.00381	2.8
151.04007	0.4
155.05046	0.3
156.05818	0.1
157.02956	0.3
157.06583	0.5
158.03770	0.7
159.04546	2.2
161.02454	1.7
161.06087	0.3
163.00369	0.4
163.03987	0.2
164.01158	0.2
164.98294	1.9
165.01962	0.9
165.99095	1.0
166.99875	12.7
167.04977	0.6
168.00238	0.4
169.01408	0.3
169.02855	0.2
170.03941	0.1
171.04544	1.0
172.05234	0.2
173.02505	0.7
173.06073	0.9
174.03188	0.3
175.03979	0.8
176.01154	0.2
177.01945	4.6
178.02289	0.2
178.99890	0.7
181.02919	0.1
182.03708	0.4
183.04547	1.6
184.05229	0.4
185.02461	0.7
185.06088	1.4
186.03221	0.3
187.04024	2.3
188.04370	0.1
189.01851	0.1
189.05540	0.7
190.99922	0.2
191.03563	0.3
192.00706	1.1
193.01424	0.8
195.04529	0.7
197.02541	0.2
198.03282	0.2
199.04050	0.9
200.04797	0.2
201.02000	1.2
201.05569	2.5
203.03552	0.8
205.05086	0.3
210.03162	0.2
211.04025	3.0
212.04504	0.3
213.01918	0.6
213.05508	0.6
214.02725	0.9
215.03520	2.1
227.03537	1.7
228.04059	0.1
229.01511	0.1
229.05063	1.2
230.02193	0.1
231.02994	0.4
233.04533	1.6
234.05013	0.1
237.01971	0.3
239.01213	0.1
239.03467	2.4
240.04143	0.3
241.01448	1.0
242.02228	0.4
245.04510	0.4
255.02994	1.9
256.03760	0.3
257.04672	0.9
258.01773	0.5
259.02478	1.1
267.12393	0.1
273.03983	0.7
283.02496	1.9
301.03540	100.0
302.03879	6.6
302.07428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76112	0.1
51.02400	0.1
65.00327	2.8
67.01898	1.0
67.34827	0.1
68.99815	1.1
69.03436	0.2
69.67652	0.4
71.01389	0.2
76.42502	0.1
79.01894	0.3
82.00611	0.3
83.01395	2.7
85.63165	0.1
92.99834	0.3
93.03462	0.3
95.01392	3.6
96.99319	0.7
97.02957	0.3
98.18918	0.1
99.00880	0.9
101.06071	0.3
107.01403	0.9
107.05038	0.3
108.02196	0.4
109.02956	0.7
110.00102	1.0
111.00892	24.3
111.19112	0.1
112.01215	0.3
117.03476	0.3
119.01375	0.2
119.05006	0.1
120.99281	0.2
121.02967	0.9
123.00898	4.8
124.98840	0.8
125.02453	2.2
128.07170	0.2
130.04277	0.2
130.23770	0.1
131.04997	0.3
131.17316	0.1
133.02045	0.2
133.02975	2.8
134.03784	1.8
135.00908	0.4
135.04535	9.2
136.04884	0.2
136.98819	3.2
137.02428	1.1
137.99600	0.2
139.00386	24.4
140.00946	0.4
141.01970	0.4
143.05043	0.5
145.02954	0.4
145.06564	0.2
147.00833	0.3
147.04520	0.5
148.01711	0.2
149.02464	1.8
151.00388	2.1
151.03989	0.3
155.05078	0.3
157.03024	0.3
157.06581	0.5
158.03786	0.6
159.04530	1.8
161.02461	1.6
161.06097	0.3
163.00392	0.4
163.04074	0.2
164.01151	0.2
164.98311	2.1
165.01982	0.8
165.99098	0.9
166.99869	10.9
167.05055	0.4
168.00253	0.4
169.01468	0.2
169.02859	0.2
171.04539	0.8
173.02425	0.5
173.06151	0.6
174.03357	0.1
175.03986	0.6
177.01933	4.3
177.05528	0.2
178.02275	0.2
178.99908	0.9
179.44391	0.1
182.03732	0.2
183.04526	1.5
184.05338	0.4
185.01115	0.1
185.02437	0.8
185.06093	1.2
186.03210	0.2
187.04015	1.9
189.05577	0.7
190.99942	0.4
192.00650	0.8
193.01398	0.4
195.04477	0.7
197.02469	0.3
198.03175	0.1
199.03984	0.6
200.04790	0.3
201.01964	1.0
201.05605	2.5
203.03461	0.7
205.05090	0.5
209.02458	0.2
210.03218	0.3
211.04015	2.9
212.04463	0.2
213.01981	0.6
213.05553	0.4
214.02747	0.6
215.03535	2.2
215.05455	0.1
227.03506	1.5
228.04231	0.2
229.01526	0.2
229.05069	1.2
231.02974	0.2
233.04527	1.2
237.01996	0.3
239.03474	2.2
240.04147	0.2
241.01401	0.8
242.02260	0.3
245.04651	0.3
255.02988	1.8
256.03531	0.2
257.04584	0.9
258.01706	0.4
259.02426	1.1
259.71429	0.1
272.03189	0.2
273.03967	0.6
283.02499	1.9
284.02927	0.2
300.02524	0.1
301.03546	100.0
302.03894	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	301.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18684	0.8
59.01369	0.9
61.96637	0.7
65.00331	9.7
67.01883	2.3
67.90791	0.7
68.99812	3.0
69.60301	2.4
69.60674	1.3
74.30479	0.7
78.62137	0.7
81.03467	0.7
83.01402	11.1
83.92836	0.7
92.99821	4.5
93.03442	1.4
95.01418	1.1
96.99312	1.6
110.00106	2.8
111.00890	67.3
112.01230	1.8
115.05570	0.9
117.03506	1.0
119.05037	100.0
120.05391	3.6
123.00843	1.5
125.06020	0.8
134.03706	2.7
135.04544	17.8
136.98825	6.9
139.00389	50.1
140.00729	1.0
143.05014	13.8
144.05246	0.8
145.02965	3.9
149.02522	1.1
151.00401	0.9
154.99858	1.3
157.06662	1.4
159.04552	1.2
161.02452	1.6
164.98320	4.4
165.99077	2.5
166.99866	2.8
171.04527	1.4
183.04550	1.1
185.06110	3.2
187.03999	6.8
201.01950	1.6
201.05562	1.0
211.04088	0.8
213.05574	4.7
214.02670	1.2
215.03549	1.7
221.02808	2.9
229.04921	0.7
239.03494	1.8
255.03070	1.1
257.04599	9.8
273.03958	1.1
283.02322	0.9
285.12521	0.7
286.04831	2.2
300.98538	1.7
300.99637	1.3
301.03534	19.1
301.06851	1.5
302.03958	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27092	0.3
65.00327	1.2
67.01906	0.8
69.33340	1.5
80.10630	0.3
82.00628	0.3
83.48177	0.3
93.03448	0.3
95.01395	1.4
96.99315	0.8
99.00906	0.5
109.02960	4.8
110.00108	1.0
111.00891	2.4
123.00890	1.3
124.98795	0.7
132.02184	0.5
133.02972	26.8
134.03311	0.5
135.04536	8.6
136.01657	0.5
136.98837	2.1
137.02455	9.1
139.00392	6.2
145.76822	0.3
147.00862	0.5
159.04553	0.5
160.44279	0.3
161.02417	0.4
163.00362	1.4
164.01283	0.5
164.98338	2.3
165.01933	6.0
165.99055	1.1
166.02510	0.4
166.99875	4.6
171.04630	0.4
172.05270	0.5
173.06038	0.7
175.04099	1.7
183.04517	0.9
185.06038	0.6
186.03181	0.4
187.04088	1.4
190.99901	0.6
192.00632	1.7
193.01244	0.3
199.03984	0.8
201.01952	1.3
201.05643	1.6
203.03502	0.8
211.03970	1.6
212.81667	0.3
213.05630	0.7
214.02708	0.4
215.03500	1.0
217.05035	0.4
227.03578	1.8
229.05060	1.7
231.02982	0.6
233.04543	0.5
239.03558	0.8
245.04547	0.8
255.03009	4.5
256.03644	0.4
257.04617	0.8
273.04092	1.0
283.02521	1.3
301.03561	100.0
302.03918	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	301.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88849	0.2
56.58099	0.2
65.00332	1.6
65.03958	0.2
67.01898	0.5
69.38759	1.0
92.99825	0.4
93.03442	0.3
95.01381	1.2
96.99324	0.6
99.00841	0.3
105.03439	0.2
108.02165	0.3
109.02975	4.3
110.00133	1.1
111.00883	1.4
119.01356	0.3
119.05038	0.6
123.00899	1.1
124.98811	0.6
132.02200	0.8
133.02972	26.6
134.03334	0.8
135.00856	0.3
135.04544	10.7
136.01706	0.3
136.04836	0.2
136.98813	2.1
137.02458	9.6
139.00385	7.0
147.00885	0.4
148.01666	0.3
158.03741	0.3
159.04523	0.9
161.02461	0.4
163.00389	1.0
164.01118	0.3
164.98312	2.7
165.00562	0.3
165.01947	5.6
165.99043	0.9
166.99870	4.3
169.02835	0.2
173.02335	0.4
173.06151	0.5
175.04004	1.6
178.99933	0.4
183.04559	0.8
185.06094	0.4
186.03232	0.3
187.04037	1.3
189.05594	0.2
190.99883	0.8
192.00647	1.6
192.42685	0.2
195.04541	0.4
199.04169	0.4
201.02023	1.0
201.05652	1.6
203.03589	0.5
211.04021	1.8
213.01993	0.5
213.05550	0.6
214.02625	0.4
215.03554	1.2
217.04941	0.2
227.03510	1.6
229.05048	1.8
231.02997	0.4
233.04614	0.3
239.03534	0.9
241.01320	0.2
245.04552	0.7
255.03009	4.0
256.03549	0.4
257.04504	1.0
273.04010	0.9
283.02518	0.9
301.03555	100.0
302.03897	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	1.1
65.00332	8.7
67.01894	1.1
68.99828	1.7
69.16211	3.2
69.16620	2.7
74.67518	0.9
82.00649	1.2
83.01401	5.3
92.99837	2.9
93.03487	2.3
95.01389	2.7
107.01428	3.2
109.02976	3.6
110.00108	8.0
111.00900	20.7
117.03488	12.6
117.54169	0.9
119.05038	57.7
119.38216	0.9
120.05360	2.4
123.00913	1.5
133.02968	13.0
135.00912	5.6
135.04543	12.3
136.98828	9.6
137.02496	6.6
137.99602	1.5
139.00383	27.3
143.05055	7.3
145.03059	1.1
149.02457	14.5
151.00412	3.8
152.01187	1.3
153.01982	3.0
154.99831	4.5
159.04558	1.3
163.00407	6.6
164.98349	8.8
165.01967	3.3
165.99106	9.3
166.99901	5.5
169.02956	1.1
171.04521	1.3
180.00613	2.1
181.01477	3.3
183.04549	3.3
185.02490	1.9
185.06122	3.9
187.04036	7.6
191.03500	1.4
195.04614	1.4
198.65846	0.8
199.04077	1.2
201.05612	1.2
209.11835	1.5
211.04056	3.4
213.05573	3.0
214.02750	1.2
215.03595	2.3
227.03572	3.8
229.05154	4.1
233.04457	1.3
239.03641	1.1
255.03032	15.4
257.04529	6.8
273.03580	1.4
283.02518	38.1
284.02872	4.3
286.04822	10.6
287.05057	1.1
296.64395	1.2
301.03604	100.0
301.07098	9.9
302.03879	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
65.00330	12.7
67.01879	3.6
68.11703	0.6
68.99837	1.9
69.29115	3.7
72.99344	1.2
78.32133	0.5
79.95754	1.2
80.96519	1.5
81.03467	1.1
83.01405	7.5
85.02961	1.0
92.99876	0.7
93.03470	1.1
95.01385	4.7
96.99335	3.0
98.02477	1.2
99.00892	1.3
107.00101	0.6
107.01405	7.6
107.05051	1.0
109.02983	1.2
109.06615	0.8
110.00117	5.4
110.02502	0.9
111.00896	99.8
112.01241	2.6
117.03491	1.8
118.93929	0.6
119.05049	2.3
121.02969	1.7
123.00916	5.2
124.01730	0.7
125.02481	2.7
127.00434	1.7
133.02963	4.0
134.03766	5.9
135.00983	0.9
135.04549	42.1
136.04875	1.4
136.98828	8.4
137.02458	1.5
137.05971	0.8
137.99593	1.1
139.00398	96.1
140.00790	2.0
140.03555	3.5
143.05075	2.0
145.06638	1.0
149.02510	1.3
151.00395	2.1
151.04050	0.8
153.05606	0.9
154.99844	1.0
157.06712	1.0
157.63594	0.7
158.03767	0.9
159.04558	3.2
161.02487	4.7
161.06091	0.7
164.98320	9.6
165.02048	0.8
165.99124	4.9
166.99889	12.2
169.06558	0.9
171.04520	2.4
173.02475	1.2
173.06097	0.7
175.04192	0.8
177.01921	1.6
177.09196	0.7
178.99878	4.9
183.04549	2.5
184.05162	0.8
185.02542	1.5
185.06149	2.6
187.04007	3.6
189.05518	1.8
189.54068	0.7
192.00665	1.1
195.04622	1.0
195.10411	0.9
197.11623	0.8
199.03972	1.0
200.01178	0.8
201.01987	4.1
201.05637	2.6
209.02791	0.9
211.04024	5.1
213.02057	1.4
213.05638	2.8
213.09296	1.0
213.11295	0.8
214.02751	1.5
215.03529	7.1
221.11597	0.6
227.03479	1.4
229.05070	2.0
233.04662	1.7
233.45049	0.7
239.03560	2.6
241.01534	0.7
255.02992	2.6
257.04651	4.0
257.08255	1.4
259.02588	1.3
273.03983	2.9
283.02441	3.9
283.08380	1.1
286.04919	1.6
301.03586	100.0
301.13071	2.5
302.03876	5.4
302.06851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.036
Annotation	Tan 931
Peak:m/z	Relative Intensity
54.90975	0.3
59.01382	0.4
63.02393	2.2
65.00330	15.7
66.00658	5.2
68.99827	0.6
69.18990	0.6
69.19406	1.6
69.35178	0.3
78.95907	0.6
83.01401	1.4
87.64079	0.3
93.03471	0.7
95.01399	0.7
98.21978	0.7
101.41249	0.4
105.03492	0.6
107.01392	3.7
108.02210	0.7
108.99341	0.7
110.00122	2.7
111.00877	1.5
117.03474	1.9
119.01336	0.4
119.05044	2.4
120.76068	0.3
121.02950	1.2
123.00875	0.4
124.01665	0.8
125.02455	1.1
133.02979	3.9
134.03345	1.5
135.00946	0.6
135.04597	2.7
136.98819	8.7
137.02438	0.7
137.99152	4.5
138.99374	0.6
139.00363	2.9
143.05060	0.9
144.60875	0.3
145.02980	1.1
145.06613	0.5
146.03687	0.5
147.04515	1.6
149.02486	2.1
151.00386	4.9
155.04927	0.4
155.33900	0.3
159.04442	1.0
161.02509	0.6
161.06052	0.6
163.00368	1.0
163.04063	0.4
164.01117	0.4
164.98256	1.8
165.01799	0.6
165.99084	2.5
166.99811	1.7
167.05104	0.4
171.04533	1.1
172.05038	0.7
173.02461	1.3
173.05707	1.0
174.03065	0.7
175.03670	1.3
176.04378	0.6
177.01880	0.5
180.00584	0.5
181.01459	0.8
182.03690	0.4
183.04561	1.8
184.04863	0.8
185.02417	1.1
185.06114	1.0
186.02937	0.4
187.04042	1.4
188.04597	0.9
189.01912	0.6
189.05382	1.2
199.03877	1.3
200.04372	2.8
201.01895	1.7
201.05144	1.1
202.02312	4.5
203.03116	1.6
211.04018	1.6
212.04544	0.5
213.05562	0.9
214.02356	0.8
215.03500	1.5
216.03937	1.0
217.04605	1.6
227.03497	4.9
228.03854	2.6
228.13770	0.4
229.04907	3.4
230.01950	0.6
231.02492	0.8
239.03450	0.8
240.04276	0.5
244.03410	2.3
245.04190	1.0
255.03003	19.0
256.03397	2.9
257.04559	14.6
257.12970	1.1
258.04996	0.6
259.02164	0.4
272.02859	1.3
273.03717	1.4
283.02502	26.5
284.03119	4.9
300.02426	1.8
301.03259	100.0
302.03558	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21986	1.3
51.05044	1.2
59.01369	3.6
61.98824	2.2
69.03458	3.8
69.95529	3.3
72.00900	5.0
74.02478	4.9
78.35956	1.4
78.95917	1.9
83.01392	2.2
88.04041	4.1
93.03452	3.1
95.01382	2.7
97.02937	2.4
109.02938	6.3
111.00880	2.7
111.04566	1.6
116.05077	15.7
117.03482	2.8
119.05038	20.8
120.05331	2.0
123.00909	3.0
124.01659	12.4
125.02459	41.8
130.06642	47.6
131.07008	2.1
131.08159	1.7
135.04510	6.5
137.02432	7.2
141.98242	2.8
142.06619	4.2
145.02968	3.2
149.99617	20.4
150.60515	1.4
151.00258	2.4
151.04007	11.0
153.01924	3.6
154.99867	2.0
155.03525	7.4
157.07700	2.7
159.09251	2.9
161.06029	1.9
164.98288	2.7
168.00661	54.9
169.01399	6.3
181.01341	2.1
203.06468	2.4
203.08289	32.6
213.03464	3.5
213.09334	1.7
229.08807	2.4
239.07169	1.9
241.03886	16.7
246.04417	3.2
255.04651	2.1
257.08286	3.0
283.04477	5.0
301.05420	100.0
302.05713	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	301.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.5
65.00310	1.0
69.03458	0.9
71.44164	1.1
72.00911	6.4
73.02924	1.0
74.02474	9.9
75.00861	3.5
76.09081	1.0
78.95904	1.1
83.01354	0.9
87.00877	1.5
88.04049	9.1
89.04362	1.8
93.03438	3.2
93.76046	0.9
95.01387	1.4
99.97198	1.4
109.02971	6.1
110.00149	1.2
110.75026	0.9
111.00860	1.5
111.04499	1.8
112.98811	1.1
116.05072	28.1
116.42802	0.9
117.05407	1.3
119.05038	25.3
125.02457	1.4
128.03539	1.5
129.05858	1.5
130.06638	100.0
131.06966	3.5
135.04501	4.2
137.02454	6.6
141.98250	8.1
142.06656	7.3
143.05031	1.1
144.04507	1.1
145.02948	4.5
146.06075	1.6
151.04008	13.4
152.04509	0.9
153.01901	2.7
154.99878	11.1
155.03531	5.9
157.07671	1.9
159.09303	4.3
161.06081	2.5
163.00310	1.0
163.04051	1.1
164.98276	3.0
181.01462	2.0
187.98770	5.7
203.08289	60.8
204.08540	3.8
213.03528	7.5
213.09154	2.9
225.06389	1.9
239.07170	1.8
241.03868	40.0
241.06157	1.9
242.04083	2.1
246.04407	4.3
246.33028	0.9
255.04422	3.7
257.08118	2.5
258.14383	1.7
259.04053	4.3
295.29166	1.0
300.19080	1.4
301.04990	73.3
301.19461	2.1
302.05310	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	301.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87475	0.4
60.09908	0.4
65.00329	12.3
66.00665	3.0
66.01118	0.5
67.00735	1.1
68.99812	0.6
69.11967	2.4
72.99303	0.4
77.69572	0.4
80.05592	0.4
82.00606	4.1
86.62055	0.3
93.03487	2.5
94.00631	0.6
95.01405	1.8
96.99364	0.6
108.02136	0.6
108.99339	0.5
110.00107	32.4
111.00938	1.2
111.64295	0.4
117.03470	0.8
119.05040	11.1
120.05378	0.4
122.00124	0.5
123.00932	1.9
124.01670	4.9
130.04245	0.5
132.12129	0.3
136.98822	7.2
137.02391	0.5
137.99680	9.5
138.99281	6.3
139.00386	8.5
152.00032	0.5
152.01172	3.8
158.03787	0.5
159.04480	0.4
164.01141	0.7
165.99091	28.4
166.99875	11.0
169.00381	0.4
178.99811	1.2
180.00676	7.0
181.01443	5.1
183.04509	0.4
184.05139	0.6
185.05099	0.6
186.03110	1.1
187.03560	0.4
188.03767	1.3
192.00644	0.9
193.01518	0.6
199.04004	0.6
200.04785	0.9
201.05037	0.6
202.05380	1.0
207.02928	1.3
210.33107	0.5
212.04680	1.5
213.04749	1.6
214.05338	2.6
228.04010	0.8
229.04094	2.4
230.05695	1.4
241.04156	0.7
242.04900	0.5
257.03677	0.7
258.04657	1.4
285.03491	9.5
286.03992	100.0
287.04636	4.2
301.06689	44.0
302.06976	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	301.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00397	7.0
66.01168	1.0
68.99873	1.1
69.81691	1.9
72.99370	0.9
74.18734	0.5
75.52335	0.5
79.51130	0.5
82.00156	1.4
82.00605	10.4
83.01472	1.3
92.99856	0.8
93.03472	5.0
94.00639	0.6
95.01387	3.2
96.99420	1.1
109.99400	2.1
110.00108	56.6
110.91400	1.4
111.00986	4.8
113.02470	0.8
117.03552	1.1
119.04239	1.0
119.05041	30.2
120.05377	0.7
120.99351	0.8
122.00127	1.3
123.00910	3.5
124.01684	7.1
124.98891	1.1
125.99651	0.6
135.04547	9.9
135.05476	0.7
136.98817	5.8
137.02551	1.8
137.99614	15.0
139.00389	19.0
142.94000	1.1
145.03030	0.7
151.00420	0.8
151.96169	0.6
152.01178	7.2
152.02191	0.6
164.98309	4.6
165.99091	51.7
166.99873	21.8
174.66013	0.6
178.99825	3.3
180.00658	12.6
180.02086	1.0
181.01447	17.6
182.01778	0.9
185.06207	1.5
187.04073	1.0
192.00775	1.8
193.01501	1.6
202.06372	0.6
207.03096	2.6
215.03697	0.9
229.05037	3.2
230.05798	3.5
255.03209	0.7
257.04651	0.7
258.05420	2.1
262.48688	0.6
267.24637	0.6
273.04050	0.6
283.02554	2.0
286.04855	100.0
287.05191	8.0
301.07175	69.1
302.07516	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	301.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26077	0.6
65.00069	1.6
65.00456	6.1
66.00854	0.6
66.01182	1.2
68.99604	1.0
68.99937	1.5
69.87746	1.6
69.88102	1.0
72.99412	0.9
77.94628	0.7
82.00220	1.3
82.00746	9.9
93.03603	3.7
95.01540	2.8
96.99478	1.2
101.62131	0.6
109.99039	2.0
110.00262	71.3
111.01034	2.6
119.04269	1.8
119.05196	26.0
122.00227	0.9
123.00907	4.9
124.01674	10.6
124.98924	0.9
136.98825	4.6
137.99608	19.4
138.99396	1.2
139.00381	16.8
141.99274	0.8
152.01170	8.1
152.67143	0.6
165.99095	60.9
166.99875	22.0
179.00031	2.3
180.00655	13.8
181.01431	12.4
183.79416	0.9
185.06236	2.0
192.00829	1.8
193.01527	2.1
202.06644	0.7
207.02911	3.2
209.84798	0.7
229.05161	2.7
230.05823	3.2
255.71872	0.7
258.05380	1.6
268.03836	1.2
285.03564	1.3
286.04861	100.0
287.05243	5.0
301.07193	72.4
302.07452	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	301.072
Annotation	5,7,4'-Trihydroxy-8-methoxyflavanone
Peak:m/z	Relative Intensity
52.44286	0.3
57.03458	1.3
65.00314	2.1
65.10529	0.4
68.99820	0.4
70.14883	0.7
70.15242	0.6
72.02170	1.8
82.00609	2.4
83.01403	0.8
87.04521	25.0
93.79135	0.4
95.01420	1.3
96.02184	0.9
98.00106	0.5
110.00115	11.2
111.00920	4.3
111.04528	1.2
112.01708	1.8
113.02468	1.7
117.03488	3.5
119.05030	9.2
120.05322	0.5
123.00887	1.0
124.01650	1.1
125.02445	1.5
136.98817	1.1
137.02457	1.5
137.99600	2.6
139.00395	5.0
140.01172	64.2
141.01521	1.5
143.05038	2.1
145.02960	2.3
152.01122	0.5
155.03519	100.0
156.03865	3.3
164.98227	0.7
165.99101	8.7
166.99802	1.1
168.00685	3.0
178.99826	1.1
181.01447	1.4
183.04413	0.8
185.06160	2.1
193.01448	0.5
197.86142	0.4
214.29732	0.4
229.05109	0.8
248.89830	0.3
255.02657	0.4
258.05389	0.4
268.03775	0.8
283.02585	2.0
286.04877	9.3
287.05139	0.5
301.03525	2.9
301.07147	22.4
302.07495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	10.7
66.01112	0.9
67.01891	1.3
68.99821	2.0
69.18195	2.5
69.18604	1.4
72.99352	0.6
82.00607	9.0
83.01403	1.3
91.01884	1.2
92.99841	0.8
93.03466	7.0
94.00578	1.0
95.01398	4.8
96.99351	1.3
98.21827	1.1
107.01383	1.2
108.99350	0.7
109.02956	1.8
110.00109	69.6
111.00926	11.4
117.03474	10.2
119.05040	44.2
120.05370	2.0
120.79429	0.6
121.03002	0.7
122.00117	1.2
123.00901	4.9
124.01680	9.0
124.98834	1.3
133.02977	7.8
135.00893	3.0
135.04546	8.8
136.98819	8.6
137.02463	3.7
137.99611	22.0
139.00392	29.8
140.01163	0.8
141.99112	1.1
143.05028	2.0
145.02994	1.5
149.02432	2.4
151.00391	2.0
152.01173	8.3
153.01927	2.0
159.04524	2.1
163.00392	6.8
164.98294	6.2
165.01965	1.8
165.91940	0.6
165.99091	62.7
166.99878	28.2
167.05052	0.8
169.03094	0.7
178.99916	3.3
180.00650	16.8
181.01447	15.0
183.04492	3.1
185.06168	3.3
187.03990	2.4
192.00662	3.2
193.01384	2.0
201.05611	0.9
207.03029	3.3
207.65695	0.6
209.11774	1.1
211.04059	2.0
213.05516	1.0
215.03708	0.8
222.97998	0.6
227.03505	3.2
229.05066	5.1
230.05829	3.6
233.04935	0.7
239.03468	1.4
255.02982	11.2
257.04614	2.7
258.05380	2.7
283.02493	32.8
284.02933	2.9
285.03973	0.7
286.04858	100.0
287.05194	6.0
301.03546	43.6
301.07202	72.9
302.03867	2.7
302.07535	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	301.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76247	1.3
59.01383	1.5
63.56853	1.2
65.00326	10.9
68.99801	1.8
71.54643	0.9
82.00615	1.9
83.01411	2.9
89.41300	1.1
92.99833	2.2
93.03466	4.4
95.01435	1.7
101.18481	1.1
107.01435	1.1
108.02253	1.4
109.02962	2.0
110.00112	14.1
111.00892	19.3
117.03490	10.6
119.05036	25.0
123.00847	1.8
124.01689	2.1
125.02461	1.2
133.02972	8.9
135.00896	4.1
135.04536	19.5
136.98817	7.7
137.02457	3.8
137.53899	1.1
137.99585	3.6
139.00400	29.5
143.05038	2.6
145.02998	1.6
149.02423	1.1
150.96356	1.1
151.00386	1.9
152.01160	1.3
153.01952	3.5
159.04605	2.2
161.06068	1.5
163.00398	8.1
164.98311	10.2
165.01999	1.5
165.99112	15.5
166.01459	1.6
166.99884	6.1
167.05070	1.6
172.05309	2.9
173.06059	1.2
180.00681	2.2
181.01459	9.6
183.04491	6.2
183.13931	22.3
184.05260	2.7
185.02481	1.6
185.06134	5.6
187.03963	2.9
188.52534	1.1
189.01855	1.2
192.00648	1.3
195.03004	2.5
196.05307	6.7
197.06129	7.1
199.02432	1.8
199.04047	7.0
211.04013	12.1
212.04790	14.2
212.32561	1.1
213.05566	6.4
215.03520	3.1
223.04070	2.4
224.04837	9.7
225.05580	4.5
227.03566	6.7
227.12798	1.8
228.03732	1.1
229.05121	4.5
239.03502	16.7
240.00635	1.4
240.04295	67.4
241.05063	74.3
242.05777	14.5
243.06367	1.2
252.04312	9.7
253.04897	1.7
255.03011	17.2
257.04834	5.3
257.08218	28.1
258.08502	1.6
267.03018	3.7
268.03778	32.1
269.04221	1.9
283.02551	43.4
283.06143	100.0
284.02927	3.7
284.06525	8.5
286.04858	10.9
301.00018	4.5
301.03531	41.3
301.07199	84.5
301.16745	1.8
301.19968	1.6
302.04099	2.4
302.07495	7.1
302.10654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	10.7
66.01112	0.9
67.01891	1.3
68.99821	2.0
69.18195	2.5
69.18604	1.4
72.99352	0.6
82.00607	9.0
83.01403	1.3
91.01884	1.2
92.99841	0.8
93.03466	7.0
94.00578	1.0
95.01398	4.8
96.99351	1.3
98.21827	1.1
107.01383	1.2
108.99350	0.7
109.02956	1.8
110.00109	69.6
111.00926	11.4
117.03474	10.2
119.05040	44.2
120.05370	2.0
120.79429	0.6
121.03002	0.7
122.00117	1.2
123.00901	4.9
124.01680	9.0
124.98834	1.3
133.02977	7.8
135.00893	3.0
135.04546	8.8
136.98819	8.6
137.02463	3.7
137.99611	22.0
139.00392	29.8
140.01163	0.8
141.99112	1.1
143.05028	2.0
145.02994	1.5
149.02432	2.4
151.00391	2.0
152.01173	8.3
153.01927	2.0
159.04524	2.1
163.00392	6.8
164.98294	6.2
165.01965	1.8
165.91940	0.6
165.99091	62.7
166.99878	28.2
167.05052	0.8
169.03094	0.7
178.99916	3.3
180.00650	16.8
181.01447	15.0
183.04492	3.1
185.06168	3.3
187.03990	2.4
192.00662	3.2
193.01384	2.0
201.05611	0.9
207.03029	3.3
207.65695	0.6
209.11774	1.1
211.04059	2.0
213.05516	1.0
215.03708	0.8
222.97998	0.6
227.03505	3.2
229.05066	5.1
230.05829	3.6
233.04935	0.7
239.03468	1.4
255.02982	11.2
257.04614	2.7
258.05380	2.7
283.02493	32.8
284.02933	2.9
285.03973	0.7
286.04858	100.0
287.05194	6.0
301.03546	43.6
301.07202	72.9
302.03867	2.7
302.07535	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	301.0932
Annotation	Isotachioside
Peak:m/z	Relative Intensity
57.03454	0.3
57.82702	0.3
59.01382	34.6
60.01714	0.4
65.00339	1.2
67.01884	0.3
69.22066	1.5
71.01388	4.5
72.99328	0.4
73.02937	1.7
78.95924	0.3
79.95763	0.7
82.00621	0.3
83.01395	1.2
85.02958	1.8
87.00874	0.4
89.02444	0.4
92.99828	0.4
93.03462	1.0
95.01395	6.4
97.02950	0.4
99.00893	0.7
101.02451	3.0
108.02180	1.0
108.33978	0.3
109.02965	1.4
110.00103	2.0
111.00892	10.1
113.02448	2.5
115.02530	3.2
116.98682	0.3
117.00460	4.0
119.05032	3.9
120.99655	0.4
121.02962	2.2
122.03707	0.7
123.00897	100.0
124.01772	5.5
125.02488	0.5
126.90506	0.3
131.08301	0.4
133.02977	0.4
134.03802	0.8
135.04521	3.5
136.01636	0.6
136.98820	1.0
137.02466	2.9
137.99643	0.8
138.03241	62.3
139.00391	11.8
139.02318	0.6
139.04042	15.2
140.00778	0.3
140.04327	0.5
143.03549	0.3
143.05031	0.6
149.02438	1.6
150.03226	0.7
151.03987	2.5
152.01149	0.3
156.99890	0.4
157.03630	0.8
157.06604	1.1
159.01508	38.3
160.01646	2.2
161.02444	0.5
161.04578	2.7
163.04044	0.6
164.98341	0.6
165.99042	1.3
166.02699	2.4
166.99873	1.0
171.11282	0.3
172.01189	0.3
178.02716	1.2
179.03470	0.4
180.00674	0.5
181.01430	0.5
181.05075	4.3
183.01393	0.4
185.06122	0.5
187.03986	0.3
193.05064	2.3
196.05814	0.6
201.02574	7.4
202.02614	0.5
211.03963	0.4
213.02130	0.4
213.05557	0.4
215.03502	0.5
217.00578	0.6
221.02768	3.6
224.05206	0.4
238.06886	0.5
239.03510	0.4
241.07790	0.6
257.04184	0.5
259.01611	1.1
269.96585	0.3
283.01993	0.3
286.04779	2.2
300.98550	2.3
301.02725	16.1
301.09216	2.5
301.12805	0.5
301.16226	0.3
301.99686	0.3
302.02795	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	301.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22789	7.9
59.01377	18.8
61.98828	29.2
65.00333	12.3
69.71454	30.9
73.04065	13.3
74.02473	29.5
76.67041	9.2
78.95910	21.3
88.04060	83.5
92.99786	8.3
95.01406	9.0
110.00093	31.2
111.00903	24.9
119.05036	100.0
120.05339	10.6
121.02975	9.6
123.00903	24.6
125.02443	19.0
135.04541	27.8
138.03275	8.7
139.00371	9.3
139.04045	9.0
145.02945	10.0
145.06143	11.0
151.04091	8.7
157.13458	10.5
164.36697	9.0
164.98302	20.0
165.99118	25.4
169.09853	9.7
181.01466	8.7
203.02150	11.7
213.05850	8.4
257.04736	15.1
257.27893	10.6
258.14594	38.8
286.04755	16.9
300.99240	13.9
301.06900	16.7
301.15530	21.1
302.17303	29.1
306.06198	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	301.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03169	0.3
50.68825	0.2
60.45851	0.3
60.97493	1.0
65.00319	1.4
69.35768	1.2
74.99081	1.0
92.99862	0.2
98.21840	0.4
106.55892	0.2
110.00090	0.7
111.00915	1.5
118.96314	0.8
119.05045	0.3
133.02852	0.3
134.99414	7.3
135.04527	0.7
136.97325	2.4
136.98749	0.3
139.00383	1.8
141.07466	0.5
143.05331	1.6
145.50523	0.2
159.08467	1.6
161.06409	7.4
162.06538	0.3
165.99091	0.4
166.99861	0.8
185.06091	0.5
199.64136	0.3
201.02133	0.3
201.04132	0.7
203.05653	3.9
204.05701	0.3
205.03549	1.1
213.05673	0.5
215.03857	0.2
215.05698	1.4
217.07225	93.8
218.07368	6.1
235.08360	0.4
283.02457	0.9
283.12073	0.7
285.13507	41.3
286.04828	0.6
286.13699	3.9
300.99878	0.8
301.03473	4.7
301.16617	100.0
302.16812	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	301.2177
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
53.89277	0.2
58.42503	0.2
59.61845	0.2
63.12316	0.2
67.14337	0.2
70.53830	0.4
82.66306	0.3
94.08649	0.3
110.00109	0.4
133.02957	0.6
135.04547	0.3
137.02440	0.3
139.00368	0.4
140.65921	0.2
165.01923	0.2
229.12326	0.3
230.27037	0.2
237.94974	0.2
271.17081	0.7
285.18579	1.0
286.04242	0.8
286.19110	1.0
298.77716	0.2
300.99930	1.5
301.03592	2.4
301.21741	100.0
302.22098	9.0
318.86185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12794	0.3
58.56992	0.3
63.15014	0.3
63.38549	0.3
65.00323	0.7
67.01890	0.9
68.01393	0.5
68.99830	0.4
69.22997	1.6
70.02987	1.3
71.01397	0.4
72.04565	0.7
80.01421	0.5
83.01393	1.8
84.01739	0.4
85.02959	0.7
94.59764	0.4
95.01393	1.0
96.00941	1.2
96.04560	3.1
98.02487	22.1
99.00893	2.1
99.02796	0.5
108.02179	0.5
109.02952	1.2
110.02488	6.6
111.00894	12.0
112.01238	3.0
113.02460	0.8
117.03480	3.4
121.02990	0.8
122.02508	1.1
123.00884	0.8
124.00446	0.5
132.19868	0.4
133.02972	2.2
134.03741	1.8
135.04541	8.5
135.05525	0.7
136.03992	0.5
136.04866	1.3
136.98763	0.7
138.01984	10.7
139.00395	11.6
139.02728	0.5
140.00722	4.0
140.03552	100.0
141.00858	0.7
141.01959	13.8
141.03745	2.2
150.95558	0.4
152.03542	1.1
153.01939	1.2
159.04515	1.1
161.02458	30.8
162.02794	1.5
163.03882	0.4
166.01498	1.3
175.03995	1.1
180.03085	0.9
187.03873	0.4
201.01962	0.4
215.07086	0.4
216.06647	0.5
217.05011	1.1
274.07343	0.5
285.03824	0.5
302.03833	1.4
302.06784	11.1
303.04889	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	302.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
61.22123	0.5
65.00339	3.1
66.00653	0.5
67.01891	0.9
70.02977	1.4
72.04541	1.0
81.03465	4.2
83.01402	1.6
95.01405	1.1
96.00904	1.5
96.04581	2.8
96.99316	0.8
98.02483	20.4
98.21798	1.1
106.97751	0.6
107.79762	0.6
108.02151	1.1
109.02951	1.7
110.00114	2.2
110.02488	7.9
110.03184	0.9
111.00308	0.5
111.00912	7.6
112.00514	0.8
112.01232	2.6
113.02441	1.1
116.99755	0.5
117.03508	4.4
117.75109	0.5
119.05030	4.6
119.43988	0.5
120.05375	1.9
122.02487	1.1
124.00436	0.9
124.04058	0.8
125.02411	0.6
133.02963	2.1
134.03740	1.4
135.04543	7.4
136.04869	1.0
136.98810	2.2
138.01994	11.1
139.00415	6.8
140.00761	3.5
140.03549	100.0
141.01968	1.3
141.03889	2.9
145.06647	0.6
152.03551	6.9
153.01907	0.7
158.03732	1.0
161.02451	32.1
162.02856	1.3
164.98288	4.3
165.99030	1.7
166.01379	0.7
166.99545	1.9
168.00098	0.6
180.03119	0.9
181.01465	0.8
182.97668	0.7
187.03908	0.8
187.07663	2.0
191.05638	0.6
217.05048	0.9
258.07697	1.0
274.07196	1.2
284.02805	0.9
285.04074	6.5
287.04834	4.5
302.03757	4.2
302.06775	20.7
303.03531	0.7
303.07324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.1
59.27567	0.5
65.00334	2.5
66.00687	0.5
67.01907	0.7
68.01437	0.7
68.99809	0.9
70.09283	0.6
70.09623	0.6
80.01429	3.0
83.01403	1.5
94.03000	1.6
95.01401	1.7
96.00945	2.0
98.02486	6.1
107.01413	0.7
107.05057	0.9
109.02984	2.8
110.00166	0.7
110.02507	2.4
111.00913	1.5
115.71581	0.5
119.05022	2.2
120.05379	2.5
122.02498	6.2
124.00462	2.4
134.03757	1.7
135.04543	100.0
136.00429	2.4
136.04019	1.5
136.04884	12.5
136.98849	1.0
137.99176	0.6
138.00978	0.8
138.01976	7.1
138.02966	0.8
139.00401	1.0
140.03557	1.7
143.96466	0.5
152.02310	0.6
152.03548	11.1
153.01901	0.5
153.03860	0.5
159.04543	1.0
161.02487	0.9
164.98322	4.2
165.98660	3.4
166.01474	53.8
166.99857	1.2
167.01761	2.2
180.03044	18.2
180.04626	1.0
181.01503	0.6
181.03110	0.5
184.02541	1.0
192.03067	0.7
210.97745	0.5
216.03853	1.0
238.94110	0.5
284.02780	0.7
284.05811	1.3
302.03809	1.3
302.06735	15.5
303.07202	0.8
303.14346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59193	1.7
59.01386	11.6
61.98838	47.9
63.59422	1.8
69.15709	12.9
71.01392	11.7
72.00919	2.8
72.99317	3.1
73.02941	7.0
74.02478	5.5
78.03493	3.9
78.95907	15.0
82.02980	2.4
87.00889	16.4
88.04057	3.1
89.02447	13.0
92.92821	2.8
99.00928	2.0
102.05597	1.9
109.04037	2.4
115.00368	2.7
117.01947	15.5
118.02265	2.9
118.05069	5.3
119.03548	2.1
122.02497	100.0
127.05124	5.4
128.03558	15.7
131.08267	2.8
133.01425	5.9
133.05031	3.0
142.99850	5.1
145.06200	18.5
146.04562	2.9
168.01471	3.1
173.09306	1.9
178.94423	2.2
183.99242	3.9
187.10910	1.9
198.89717	3.6
200.10374	2.2
200.68968	2.0
212.10593	1.9
226.00372	5.2
228.97572	7.8
243.03029	6.7
284.12506	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	303.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14781	0.5
55.01865	2.4
57.03440	1.3
65.00296	0.9
68.99812	0.8
69.03448	1.7
69.37090	0.5
71.01366	1.7
73.01150	0.5
81.03480	3.1
81.03869	0.6
83.01386	2.2
85.02952	1.9
85.18487	0.6
95.01406	2.6
97.02961	2.6
98.22705	1.3
99.00885	14.1
109.02992	1.3
111.00893	28.0
112.01205	1.2
113.02458	1.3
116.72163	0.6
117.03466	2.3
123.00892	6.1
124.09602	0.5
133.02953	1.2
133.56036	0.5
134.03731	1.6
135.04539	5.2
136.98825	1.0
139.00389	31.0
140.01086	0.8
141.01958	100.0
142.02299	1.4
145.02965	0.7
153.01970	6.5
159.04529	1.0
160.21127	0.6
161.02449	10.7
166.99855	0.8
169.27289	0.6
175.04044	1.2
181.01436	1.1
193.01489	1.0
217.05150	0.7
231.06706	1.7
259.09317	0.6
275.05731	1.9
285.04108	0.7
303.05069	25.0
304.05634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
56.58410	0.4
57.03455	2.4
59.01383	17.0
65.00344	1.6
67.01898	0.8
68.99828	0.7
69.03468	1.5
69.15144	2.3
71.01395	2.5
71.54131	0.3
72.99319	0.4
73.02955	0.9
74.92533	0.3
79.95705	0.3
81.03455	0.4
82.09411	0.5
83.01395	2.8
85.02965	2.1
86.45424	0.3
89.02474	0.6
95.01406	2.6
95.79184	0.3
96.96067	0.3
96.99336	0.7
97.02946	2.1
99.00885	12.9
108.02127	0.4
109.02967	1.4
111.00890	28.3
112.01240	0.4
113.02469	1.4
117.03504	1.8
119.05067	0.9
121.02989	1.1
123.00883	5.2
123.01757	0.4
126.05612	2.2
133.02971	2.0
133.06943	8.9
134.03752	1.4
135.04544	5.0
136.98836	1.5
137.02460	0.5
139.00389	32.7
140.01074	0.8
141.01956	100.0
142.02283	2.6
143.05020	0.4
145.02956	1.0
147.45845	0.3
153.01961	5.6
158.03944	0.4
159.04498	1.8
161.02451	11.5
161.06134	0.4
162.02771	0.7
163.04008	0.9
164.98283	1.4
166.99870	1.1
170.04634	0.7
171.04584	0.5
173.02466	0.8
175.04022	1.4
181.01442	1.8
187.04050	0.8
189.02090	0.4
189.05524	0.5
193.01408	0.4
215.03647	0.4
217.05112	1.4
231.02931	0.7
241.04964	0.4
275.05640	1.3
285.03964	2.6
286.04440	0.4
303.01669	0.9
303.05124	21.8
303.14389	0.6
304.05447	2.0
304.12247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82226	0.3
59.01368	1.4
65.00329	2.6
67.01884	1.1
68.99812	1.2
69.28221	1.8
71.01405	0.5
78.28996	0.4
81.03468	0.5
83.01392	3.8
83.67590	0.3
95.01401	4.5
96.99260	0.4
98.22718	0.6
99.00896	2.6
107.05032	0.9
109.02991	2.5
111.00893	8.3
123.00900	6.5
124.01676	0.5
132.49712	0.3
133.03001	0.5
134.03793	2.4
135.04539	100.0
136.04863	4.1
136.98822	6.3
137.02463	0.7
138.48763	0.3
139.00392	20.0
140.00697	0.5
141.01965	2.7
149.02370	0.4
151.00394	0.5
151.04105	0.4
153.01953	14.4
154.02284	0.5
159.04536	0.5
161.02501	0.7
161.16428	0.3
164.98312	1.5
166.99881	49.6
168.00226	1.8
178.41223	0.3
181.01448	11.7
182.01846	0.8
185.00963	0.4
189.05647	0.3
193.01453	0.9
257.04614	0.9
274.57565	0.3
285.04089	3.6
303.05133	26.9
304.05432	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	303.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	17.9
59.01371	3.2
65.00327	6.4
66.33883	0.8
68.99830	1.3
69.28479	4.5
78.42545	0.9
81.03458	1.5
83.01393	10.2
85.02966	1.0
87.02749	1.9
93.03476	1.6
95.01390	3.3
96.04547	1.3
96.99354	1.0
98.06115	1.0
98.22591	2.2
99.00887	1.6
107.01399	2.6
108.02163	1.4
109.02957	5.4
111.00864	6.2
113.02506	1.0
117.03432	1.1
119.05048	2.3
121.03000	2.2
122.03736	1.2
123.00906	4.9
123.04535	6.7
124.01679	2.2
125.02460	100.0
126.02809	1.8
126.05624	11.6
131.13428	1.0
133.02992	2.4
133.06949	61.1
134.03770	1.7
135.04543	61.9
136.04893	2.5
136.98828	4.0
137.02463	1.7
139.00407	11.1
139.04025	1.9
139.07666	1.3
141.01952	1.7
145.03041	1.2
146.03815	1.2
147.04532	2.7
149.02490	8.0
150.03218	6.8
151.00395	9.9
151.04045	8.9
152.01172	3.0
152.44965	1.0
153.01950	15.0
161.02480	2.4
163.04036	1.0
164.98328	2.3
166.98454	1.6
166.99879	30.0
170.04512	1.9
171.04512	2.5
174.03232	4.2
175.04030	18.8
176.01178	1.2
177.01941	17.7
178.99908	5.0
180.00504	1.0
181.01472	10.3
185.11853	1.3
187.04019	1.1
188.04788	2.4
189.05600	4.6
193.05048	3.3
195.79367	0.9
198.03093	1.0
199.04025	7.4
201.01915	2.5
213.05624	2.6
215.03511	1.5
216.04224	1.5
217.05084	8.8
219.02885	1.0
231.06609	2.0
241.05098	6.5
257.00854	1.0
257.04578	1.2
259.06152	5.6
275.05731	4.5
285.04074	61.5
286.04379	4.5
303.05096	21.3
303.14499	5.2
304.05493	1.7
304.12213	9.9
312.74176	1.0
323.54437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50571	2.9
65.00328	11.1
65.71564	3.2
70.05206	8.6
72.61787	3.3
81.03449	23.5
111.00869	15.2
119.05026	16.3
127.05544	100.0
128.05896	5.3
136.98825	3.1
139.00362	23.2
140.03503	4.6
145.06599	37.9
155.05022	28.6
156.05779	12.0
157.06592	9.5
159.08144	11.7
160.52338	3.2
164.98312	8.3
173.06059	14.8
183.04520	19.5
184.04913	3.3
187.07660	5.2
199.03993	3.8
200.04878	17.7
201.05533	8.6
215.07137	59.2
231.06589	6.9
233.28522	3.1
285.03891	20.4
303.04700	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	303.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.7
57.03469	1.9
59.01388	100.0
65.00333	3.1
71.01383	5.9
71.39687	1.0
71.40065	1.1
73.02946	2.8
79.66811	1.0
83.01399	3.0
85.02966	3.9
87.02772	1.9
89.02440	3.0
93.03474	1.4
95.01402	2.1
96.04594	1.9
96.95970	1.4
97.02956	2.6
99.00894	12.6
101.02447	2.3
106.05693	1.1
109.02973	1.6
110.00052	1.1
111.00896	24.9
113.02467	3.2
117.03481	3.8
119.03555	1.3
119.05021	2.2
123.00880	4.7
126.05630	14.9
130.08766	3.4
133.03026	1.4
133.06952	69.0
134.03752	1.6
135.04556	6.3
136.07700	1.5
136.98790	1.7
139.00406	31.6
141.01961	90.1
142.02249	1.8
143.05070	1.2
145.03008	2.4
153.01942	4.3
159.04527	4.4
161.02466	11.1
164.98315	1.4
167.07306	1.3
170.04601	3.2
171.08739	1.2
175.03967	1.1
181.01389	1.4
185.11806	3.4
187.04054	1.9
191.03563	1.2
215.03479	1.7
217.04948	1.2
231.03061	2.4
277.75961	1.2
285.03961	3.9
288.02722	2.0
303.01569	2.6
303.05112	25.6
303.08868	2.0
303.13995	4.7
304.05637	1.5
304.12216	11.0
309.86496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1452
Annotation	Urechitol B
Peak:m/z	Relative Intensity
55.01889	5.4
57.03455	14.6
58.00586	0.7
59.01389	9.7
59.19781	0.4
59.63904	0.4
65.00316	0.5
67.01897	2.0
68.99821	2.3
69.03438	0.8
69.50308	1.0
69.50699	0.9
71.01389	11.5
71.05034	6.0
72.99319	9.6
73.02954	1.9
75.00881	100.0
76.01231	0.5
83.01392	4.7
84.02185	1.9
85.02961	60.1
86.00103	0.5
86.03304	1.0
87.00888	7.4
89.02461	1.5
95.01402	5.7
97.86708	0.4
99.00896	4.4
99.08173	1.0
101.02445	0.8
103.00417	1.0
111.00897	1.8
112.01651	0.8
113.02463	16.5
115.00391	1.6
116.01146	1.8
116.01899	0.5
117.01932	3.1
125.09730	0.5
127.11308	25.3
128.11652	0.9
129.01956	4.5
130.99878	1.0
133.01428	0.7
137.09746	1.3
139.11327	1.3
141.12914	0.4
153.12952	0.6
157.01434	3.8
167.10840	2.2
175.02527	1.3
181.12393	3.4
185.11848	5.7
195.14078	0.6
205.42798	0.4
285.13568	4.6
303.14520	86.4
304.14893	5.1
324.49722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48008	1.0
55.85064	1.1
59.01384	100.0
65.00330	1.5
69.59709	1.2
69.89098	1.4
69.89426	2.3
71.01382	12.6
73.02953	15.9
83.01402	4.6
85.02967	1.5
89.02451	5.0
94.86259	1.0
101.02431	9.6
113.02501	5.4
119.03502	1.6
120.85043	1.3
130.08759	1.7
135.04524	3.2
164.98322	1.2
166.99901	1.4
174.84024	1.0
207.44145	1.0
211.78401	0.9
265.57736	1.0
272.61792	1.1
285.04068	1.5
303.04175	6.5
317.20450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2333
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.92730	1.2
59.01376	11.5
65.00341	1.5
65.30687	1.4
70.76904	1.4
70.81402	1.5
77.88013	1.3
79.95734	2.8
93.56580	1.5
111.00963	2.2
117.70409	1.4
125.48446	1.3
139.00404	2.3
141.01974	2.5
189.59317	1.4
205.19655	2.7
218.86795	2.7
225.55890	1.2
259.24231	12.4
266.59985	1.4
285.04044	1.5
303.00815	2.0
303.23309	100.0
304.23633	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	304.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49704	0.2
59.01383	21.3
60.01721	2.5
60.10516	0.3
61.01822	0.7
61.98836	100.0
63.09539	0.3
69.17374	1.9
115.02591	0.4
116.02667	0.9
117.00462	0.4
117.02299	1.5
117.95560	0.6
117.97280	0.4
118.00555	0.7
118.97612	0.4
119.00179	1.4
119.95233	1.5
134.97075	1.4
158.03688	0.3
159.01500	3.8
159.96561	1.6
160.01630	8.5
160.96666	0.3
161.01212	11.0
161.96298	4.6
161.98967	20.5
162.01550	2.3
162.96535	2.5
162.99121	1.2
176.98145	0.6
202.02699	2.2
203.02316	2.7
204.00000	4.3
204.02844	1.0
215.40991	0.3
261.98972	0.6
262.01642	0.7
274.60538	0.3
300.68106	0.3
304.00131	10.6
304.02859	8.4
304.99878	0.6
305.02695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81323	0.3
55.01883	0.5
59.01382	0.4
64.03150	0.3
65.00346	0.4
65.29089	0.3
67.31538	0.3
69.26271	1.6
71.05027	1.4
83.01390	0.6
87.02756	2.5
91.23470	0.3
93.03462	0.5
96.04559	2.6
98.02499	0.6
98.06120	1.5
111.00879	0.6
119.13702	0.4
121.28339	0.4
126.05623	22.2
127.05964	0.8
128.83669	0.4
131.05385	2.0
133.06944	100.0
134.07310	2.5
141.01949	1.8
170.04616	4.0
220.09966	0.5
261.04160	0.6
304.12259	14.3
305.12628	0.7
305.55084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34475	0.5
57.24015	0.5
59.01390	1.0
70.14833	1.3
71.05027	1.5
81.01901	0.5
83.01399	1.0
87.02731	2.3
96.04562	2.3
98.02433	0.6
98.06126	1.6
111.00906	0.6
119.80323	0.6
122.06108	0.6
126.05621	23.6
131.05421	1.3
133.06946	100.0
134.07259	1.7
140.00784	0.6
141.01959	3.3
142.02286	1.2
169.07079	0.8
170.04558	3.5
229.60905	0.5
304.05328	0.8
304.12167	14.2
305.12592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12077	0.2
50.45087	0.2
55.01872	0.5
57.03449	0.3
59.01371	0.4
61.61147	0.2
65.00337	0.8
67.01892	0.2
68.99818	0.4
69.29794	0.4
69.30193	1.1
71.01373	0.4
71.05033	1.6
78.95934	0.3
79.95732	0.3
80.90278	0.2
82.02985	0.3
82.08261	0.2
83.01396	1.0
83.05024	0.4
86.53592	0.2
87.02744	2.6
93.03464	0.5
95.01408	0.4
96.04557	3.1
96.95988	0.2
98.02489	0.8
98.06121	1.9
98.22710	0.2
99.00913	0.5
100.70546	0.2
107.05045	0.3
111.00897	0.8
112.01255	0.4
113.02482	0.2
117.03517	0.3
119.05053	0.3
125.02395	0.3
125.06096	0.3
126.05623	24.0
127.00446	0.2
127.05939	0.5
131.05376	1.6
133.06944	100.0
134.07303	2.6
135.04558	0.5
136.04883	0.2
138.16040	0.2
139.00386	0.6
140.00746	0.2
141.01952	4.3
142.02272	1.2
145.02945	0.3
147.29549	0.2
151.04039	0.2
159.04633	0.3
161.02519	0.3
162.02855	0.2
170.04591	4.1
175.04100	0.3
188.04472	0.2
217.05151	0.3
220.10165	0.4
261.04117	0.9
286.04434	0.5
287.13168	0.2
304.05423	1.0
304.12253	15.5
305.12830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.5
65.75896	8.0
69.54541	32.8
69.65730	8.1
73.41796	8.9
83.01356	8.0
117.03422	12.7
126.05603	22.0
133.06952	100.0
161.27245	8.4
201.05644	20.1
204.39809	10.5
230.57939	7.8
304.12344	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	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08351	0.5
58.02980	49.7
58.26848	0.4
59.03306	0.5
70.48145	0.5
126.62351	0.4
168.13948	100.0
169.14296	4.3
200.32689	0.5
212.12958	1.6
304.19217	1.0
308.18756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0226
Annotation	Pelargonidin chloride
Peak:m/z	Relative Intensity
65.00331	16.2
68.99826	2.4
78.01139	1.0
84.53591	0.4
86.82058	0.5
92.99825	8.4
95.01403	1.0
96.99326	0.7
98.96436	1.1
100.96094	1.0
101.93566	0.5
108.02200	0.5
108.99195	0.5
127.05562	0.7
127.81838	0.5
129.07159	0.5
131.05051	2.6
132.95181	0.5
136.98801	5.7
141.01903	0.4
141.07115	1.3
143.05074	0.7
144.97003	1.1
145.06586	2.4
149.99565	0.6
151.05576	2.2
153.01964	1.0
153.07111	0.6
155.05045	1.9
157.06577	0.8
157.97760	5.6
164.98308	1.5
167.05054	0.7
169.06601	3.0
170.94891	4.9
171.04575	2.7
171.08203	1.3
172.94905	0.7
172.96487	14.0
173.06087	46.0
174.06438	1.8
177.38673	0.5
179.05011	1.0
181.06635	1.5
183.04520	1.0
185.06000	0.6
185.97290	4.3
187.94930	0.5
195.04523	1.8
197.06093	17.1
198.06474	1.0
199.03989	0.8
200.94133	1.8
200.95981	6.4
201.05608	0.9
213.05563	2.3
223.04010	0.6
225.05609	2.0
227.03673	0.5
241.05093	8.1
251.03587	1.5
259.01718	2.9
261.03311	0.8
269.04584	5.2
270.04852	0.8
277.02740	22.0
278.03061	1.1
287.01205	9.1
305.02255	100.0
306.02600	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	305.0303
Annotation	2-Protocatechoylphloroglucinolcarboxylate
Peak:m/z	Relative Intensity
53.60237	1.1
55.01873	1.3
55.84752	0.9
59.01117	0.9
59.01385	3.6
65.00328	8.4
69.03452	3.8
71.01379	1.5
79.13284	1.0
83.01394	5.0
93.03471	19.5
95.01385	7.5
97.02969	7.0
99.00880	14.5
99.47703	0.9
111.00857	5.3
113.02451	3.3
117.03488	5.5
119.05045	8.6
121.02990	5.0
123.00904	8.4
123.04474	1.2
127.00374	5.5
130.04268	2.0
131.05019	2.1
133.02968	2.0
135.04494	2.8
137.02452	4.5
140.01155	4.5
141.01959	100.0
142.02271	2.7
143.05022	1.4
145.02951	2.2
145.06587	3.1
147.04559	6.0
149.02434	1.1
151.04021	12.9
161.02362	1.3
166.99879	2.0
171.04515	3.4
173.06093	3.1
174.03175	1.2
175.04025	14.2
185.00993	2.1
189.05580	3.5
199.03990	2.8
215.03503	2.7
217.05067	11.2
219.03012	15.7
233.04503	1.5
243.02962	1.3
248.58482	1.1
261.04056	28.3
262.04343	1.4
305.02902	4.3
328.58606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72670	0.7
57.13589	0.7
57.91331	0.6
59.01392	1.4
61.00429	0.8
61.98837	7.2
62.96412	7.4
70.27354	0.7
70.80583	0.8
71.01392	3.9
72.99321	1.7
78.95904	8.4
84.36261	0.8
85.02969	1.2
87.00882	14.5
89.02447	2.0
94.92544	1.3
96.96989	0.8
101.02467	1.0
109.97755	1.3
110.03605	1.6
111.02016	81.3
112.02335	1.6
113.93295	0.7
115.00369	6.8
125.00109	100.0
126.00421	1.0
133.01453	13.7
133.79803	0.8
134.40268	0.9
142.97548	2.6
144.97235	0.9
154.99629	1.0
160.33084	0.7
166.97548	1.6
179.05614	1.0
189.05824	1.1
198.67934	0.7
200.89458	4.5
201.52376	0.9
204.08766	1.3
214.22191	0.7
228.97565	5.5
304.90628	1.2
305.06873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66258	1.1
53.06792	1.0
58.02983	1.1
59.01390	8.6
61.00439	2.1
61.98839	10.2
62.39904	1.0
62.96407	7.2
71.01387	7.8
72.86230	1.1
72.99310	4.7
73.02971	2.7
73.86954	1.0
74.02470	1.3
74.83557	1.1
75.00888	2.6
78.36314	1.4
78.95914	25.5
85.02956	2.6
87.00890	31.4
88.04053	4.9
89.02448	5.3
92.92838	2.0
94.92543	2.1
95.19386	1.2
96.96981	4.8
99.00888	2.0
101.02441	3.1
103.92050	1.6
108.90213	7.9
110.03606	4.9
110.89934	4.5
111.02021	92.3
111.03961	2.4
112.02346	2.0
112.98625	2.9
113.02472	1.8
115.00368	3.9
115.02117	1.9
117.01964	4.0
119.03506	1.3
122.02522	2.1
125.00113	100.0
128.03508	2.4
131.04660	2.1
132.94704	2.4
133.01442	5.9
133.05101	15.6
139.00160	1.5
142.97520	3.3
145.06242	5.5
147.05237	4.9
149.04567	3.9
154.97498	8.6
155.06778	1.5
165.04140	1.5
166.97517	2.4
168.95369	1.2
175.59979	1.3
187.07228	3.1
189.07037	2.2
200.89520	7.7
204.08826	1.8
206.93790	1.2
228.90851	3.3
228.97575	11.1
230.90514	4.6
230.97470	2.9
304.90524	1.5
305.01352	1.3
305.07251	4.0
306.08682	1.8
329.44644	1.2
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
52.77147	0.2
55.01860	0.9
57.04791	0.2
59.01381	0.2
60.43977	0.3
67.01894	1.4
68.99818	2.9
69.08401	1.3
70.13209	0.2
71.01385	14.5
73.02936	0.3
75.00869	0.4
82.38364	0.2
83.01393	15.1
86.36490	0.2
89.02399	0.2
91.18040	0.2
96.99283	0.8
99.00887	2.7
111.00856	0.6
112.01655	1.2
113.02442	0.3
120.99670	1.7
121.99988	0.4
124.98820	2.8
131.03516	2.6
131.05014	0.6
135.04532	0.9
139.00354	1.2
140.01184	1.4
143.03496	3.3
157.01445	3.0
159.04530	0.3
166.99934	0.3
169.90175	0.3
170.27730	0.2
171.02997	2.5
171.04538	1.3
173.09746	0.2
189.33733	0.2
199.02487	100.0
200.02859	3.8
200.04665	0.3
261.07733	0.3
287.05627	5.3
288.05896	0.3
305.06705	10.3
306.07065	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.00297	2.3
65.00338	0.8
65.67382	0.4
67.01891	7.5
68.99833	1.1
69.44715	1.3
69.45129	1.3
71.01376	0.9
78.04285	0.5
79.63792	0.5
80.38901	0.5
80.99828	2.1
83.01385	0.8
85.21953	0.6
95.01406	2.5
99.00883	0.5
101.02486	1.0
109.02949	0.8
111.00896	1.4
113.01294	0.6
113.02445	1.2
117.03459	0.6
119.05039	3.3
123.00919	0.8
124.98834	1.3
127.00451	0.7
127.04008	1.2
129.07111	9.5
135.04539	4.5
136.04886	2.5
136.98871	0.9
137.05083	2.3
139.00351	0.7
141.00777	1.1
141.01889	0.7
145.06633	0.9
153.01918	1.7
155.02435	0.5
157.01439	0.7
157.06589	3.7
164.98309	2.0
166.99863	1.6
168.00237	1.0
169.00328	2.2
173.06091	100.0
174.06439	4.3
175.07771	0.6
181.01436	1.2
183.04430	0.8
185.06125	1.3
189.05566	0.8
201.05617	2.9
217.05025	1.8
217.08775	1.4
217.12329	0.5
229.05063	2.4
243.00711	0.5
261.07785	5.2
261.10550	0.8
269.04633	1.6
277.07339	0.5
287.04999	1.7
305.06631	5.6
305.10211	1.0
305.13974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
65.00329	2.7
68.99818	7.0
69.73682	2.6
71.01413	1.3
73.02988	1.5
79.95745	2.0
80.96559	1.1
83.01398	64.2
84.01740	1.6
91.01900	2.5
91.40093	1.4
93.03477	2.1
95.01405	1.8
96.96030	1.5
99.00899	4.1
101.02457	11.5
107.05073	3.1
108.02197	3.2
109.02966	4.3
111.00884	22.8
115.04052	4.7
117.03487	14.8
119.05052	1.7
120.99696	2.2
123.04556	4.3
125.02480	2.0
127.00385	8.3
130.04265	2.6
131.05035	4.6
133.02979	12.5
133.06639	2.2
134.03760	26.9
134.04726	2.1
135.00920	5.6
135.04556	33.2
143.03522	47.3
149.06099	2.5
150.66960	1.4
153.02002	1.6
157.06561	1.8
158.03752	22.5
159.04539	56.3
160.01723	1.6
160.04895	2.6
161.02466	100.0
162.02837	3.8
163.00385	4.5
167.03543	10.0
169.01314	1.7
171.04517	1.6
173.06094	5.4
173.09724	1.8
175.04002	11.7
175.07619	1.6
177.05579	60.5
178.05968	1.7
195.03004	14.0
195.10483	1.5
199.04080	1.5
199.07693	2.3
201.05612	7.5
203.03531	21.7
204.03976	1.4
211.04051	5.0
217.05084	4.8
217.08789	4.8
217.12407	2.0
227.03537	19.8
242.15733	1.3
244.39073	1.6
245.04581	31.5
246.04842	1.6
255.03009	21.6
261.03879	2.2
261.07764	4.7
261.11240	2.7
273.03979	6.8
291.40216	1.7
305.03345	2.1
305.06744	6.4
305.10333	6.3
305.13992	4.0
311.60056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	38.4
61.94440	0.4
69.03481	0.6
69.26516	1.8
69.70358	0.4
79.95751	5.1
80.96530	0.8
81.95343	2.7
82.59534	0.5
84.11651	0.4
96.96021	100.0
97.06606	0.7
101.02468	0.5
111.95261	0.5
134.26047	0.4
135.08194	1.1
136.98824	0.5
147.08163	1.5
156.86496	0.4
165.09270	0.6
173.06123	0.9
182.49629	0.6
182.99367	0.5
183.49484	0.9
201.97336	0.5
217.05132	0.7
217.08707	0.5
225.11339	22.0
226.11736	1.5
261.03931	0.5
261.07797	0.6
283.02563	0.6
284.03067	0.6
285.03555	1.0
286.04294	0.7
305.07028	81.2
306.07367	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94790	1.1
58.02982	5.6
59.01374	3.8
59.09027	1.2
65.45865	1.2
66.74146	1.3
69.60584	2.5
69.60983	2.7
70.84222	1.3
71.01386	48.6
73.04102	1.6
84.04556	3.5
88.04050	63.0
88.04594	3.2
98.06143	2.4
99.04601	1.5
99.05648	31.4
104.09280	1.3
114.05623	2.1
115.00385	71.1
127.08755	1.9
130.08768	10.0
132.03033	21.3
141.06723	27.6
142.05051	6.7
147.05962	11.4
148.04396	6.6
155.11897	1.7
158.20570	1.2
169.09959	2.6
171.06056	1.7
172.04413	5.0
189.07051	100.0
190.05469	53.6
190.07285	4.3
191.05742	1.5
199.10895	2.6
241.15648	6.1
261.09146	21.2
273.12866	2.4
287.07040	3.7
290.13287	1.6
305.08154	81.4
305.15372	13.6
306.08392	3.1
315.10876	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	305.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19351	0.8
59.01384	100.0
64.89446	0.8
65.00317	2.1
69.03445	1.7
70.12658	1.0
70.12984	1.8
71.01385	4.4
73.02937	2.1
73.03618	1.0
73.98302	0.9
74.99110	1.1
80.96495	0.8
83.01393	3.0
85.02960	3.3
93.03468	3.6
95.01372	1.8
97.02954	1.8
99.00878	3.6
99.88586	1.0
101.02486	6.2
113.02475	1.6
117.03498	2.1
119.05041	2.6
120.82951	0.9
123.00871	1.4
124.79400	0.8
127.00420	1.2
133.02989	1.1
137.02420	1.3
141.01959	23.3
147.04504	1.2
151.03984	2.4
161.04530	1.7
175.03987	2.7
187.03987	1.2
189.05592	0.8
201.81627	0.8
217.05135	2.6
219.02963	3.1
245.06456	1.0
261.04077	5.0
263.14966	6.5
305.14188	1.7
305.17587	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	305.1762
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.17441	1.7
59.01382	5.9
71.05025	40.9
71.43126	2.5
81.03473	4.6
82.50727	1.7
83.05054	2.6
93.03464	3.8
95.05045	20.4
97.06602	5.0
106.04259	2.4
109.06611	15.3
111.04561	2.6
121.06596	7.2
133.02925	2.6
135.08167	2.4
147.08170	4.7
148.45038	2.1
150.03185	2.1
150.06879	3.5
161.06047	3.9
163.11172	1.9
165.09254	11.3
175.11258	1.9
189.12881	14.9
205.16008	11.4
217.15936	7.6
233.11844	9.0
243.17555	8.2
249.14986	10.7
261.18677	3.7
269.15378	4.1
273.18597	7.6
287.16562	70.8
288.16760	5.0
298.41077	1.9
302.70453	2.1
305.14365	5.5
305.17569	100.0
305.21173	30.2
306.17828	6.5
306.21249	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1762
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.36291	0.7
54.73808	0.7
55.01878	1.1
57.03445	2.4
59.01390	2.1
65.03970	2.8
69.03470	1.2
69.32635	4.2
71.05024	7.2
79.05540	15.5
83.05040	1.1
93.03472	2.0
95.05044	2.1
97.06596	16.2
106.04257	8.2
107.05036	2.2
109.06625	3.0
117.07103	1.1
119.05038	1.3
120.05832	6.5
121.06638	3.9
123.08186	6.9
125.09740	18.3
133.06627	1.2
135.08179	100.0
136.08504	4.7
137.09775	2.2
141.01973	2.2
151.11319	2.0
162.06874	0.9
163.11313	1.8
177.12869	1.3
177.94411	0.7
183.10301	1.1
185.11853	2.6
189.12923	1.2
205.15987	5.4
207.10275	2.3
209.11871	2.0
221.11833	2.0
231.13925	1.2
233.11847	1.3
249.14975	49.6
250.15346	3.6
261.04126	1.4
263.16626	2.0
269.15533	0.8
287.16544	7.2
305.08243	2.0
305.17606	63.3
306.17831	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	306.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84228	1.5
54.48314	1.2
59.01379	1.7
61.98837	100.0
69.24705	1.3
70.15085	3.2
72.99297	1.8
78.95904	4.0
80.03921	1.3
85.02962	2.1
88.81806	1.7
96.96936	1.4
101.02370	1.3
111.02065	2.2
112.02370	2.7
124.97029	1.4
128.03581	3.6
131.65038	1.2
145.06137	1.3
205.03290	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	306.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.2
61.98834	100.0
67.65176	2.0
69.05638	1.9
70.72688	3.9
78.95919	2.8
95.53463	1.8
95.54066	1.8
99.05579	2.0
101.02431	4.2
111.02009	27.2
112.01665	3.9
112.02345	24.1
113.02422	2.4
122.02512	12.3
128.03561	7.1
130.08775	2.5
135.78471	1.9
143.04637	6.5
145.06194	8.8
148.04416	10.6
171.95914	2.0
177.03297	2.2
183.01540	4.4
220.04614	4.0
221.04498	2.2
246.02594	7.4
250.00330	2.7
300.11905	1.9
306.03299	19.4
306.07108	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	306.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.0
61.98825	3.8
72.00915	21.7
78.31566	1.1
84.63634	0.9
91.05534	1.3
109.03038	1.1
117.00490	1.1
123.90686	1.0
126.00517	2.1
146.06091	1.2
147.04538	57.0
148.04945	2.7
149.06032	1.4
163.28174	0.9
164.07178	100.0
165.07477	3.5
172.01056	16.7
215.25519	1.1
230.00151	1.4
264.07324	2.2
306.08374	58.6
307.05212	1.3
307.08493	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	307.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09060	1.3
55.79500	1.5
57.03455	5.1
59.01374	4.0
65.10513	1.4
71.11142	2.1
79.95741	2.1
80.96516	2.1
83.01427	2.0
84.04557	100.0
85.98849	3.7
93.03491	2.3
101.02461	1.9
102.01947	8.1
107.78281	1.5
108.02196	2.4
108.04554	22.5
109.02956	6.8
116.92879	3.9
120.90221	1.8
133.03029	1.6
135.04475	1.8
147.08168	1.8
152.03578	8.0
155.01009	7.3
159.04515	2.1
161.06059	1.7
174.05553	2.0
175.07643	5.3
175.11197	1.9
176.07176	4.0
178.23595	1.6
196.59665	1.8
197.02063	3.7
198.02888	5.5
201.05618	2.8
201.09302	2.7
218.04703	3.7
219.06772	2.6
219.10374	2.5
220.06174	2.8
230.01883	4.6
245.08112	3.0
247.02979	2.1
263.05527	3.8
263.09402	3.6
271.01559	3.0
307.05621	50.8
307.11777	2.8
308.05804	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0616
Annotation	3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
Peak:m/z	Relative Intensity
59.00309	0.5
65.00325	0.8
68.99444	1.0
68.99819	15.2
70.00129	0.5
71.40801	0.5
71.61480	0.5
75.02409	1.3
78.82085	0.5
91.01895	1.2
101.03974	4.1
104.02676	0.6
105.03460	1.8
107.01387	1.7
108.02174	1.1
117.02756	0.6
117.03486	2.8
119.01379	2.9
121.02946	0.7
125.02431	1.1
127.05537	1.0
131.01413	7.3
132.02199	2.6
133.03055	1.1
135.00894	5.7
137.02380	0.6
143.05025	1.4
145.02913	0.9
147.00874	2.6
147.04485	2.6
148.01680	5.0
149.02493	3.3
158.03745	1.1
159.00917	1.4
160.01703	0.6
165.07066	0.8
171.04533	63.3
172.04906	2.5
176.01201	1.5
177.01920	0.8
178.07918	0.9
179.08696	1.3
191.08673	5.0
193.06596	0.7
201.01897	0.6
202.99847	4.5
206.07390	3.1
207.08138	7.5
216.00627	8.1
217.37518	0.5
219.08142	2.1
221.06062	1.1
223.07721	1.8
233.06056	3.4
234.06880	3.2
235.07675	7.9
237.05464	0.6
249.05455	0.5
250.06351	9.6
251.07144	5.9
253.08710	1.5
261.05573	0.6
263.07156	12.9
267.03030	0.8
278.05859	48.1
279.06577	14.1
282.05350	2.0
307.06134	100.0
308.06421	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52069	0.5
59.01384	6.3
61.67107	0.5
67.28796	0.6
70.86951	1.0
71.01381	2.7
74.23727	0.5
75.00900	0.4
78.95918	0.9
83.04892	1.0
85.02969	1.2
85.04083	30.2
87.00891	2.3
89.02467	2.0
113.02464	0.5
127.02630	1.3
128.03453	0.7
129.04202	100.0
130.04561	0.6
140.74715	0.5
145.03635	1.1
183.31378	0.5
230.00209	1.2
247.02824	1.4
260.83228	0.5
281.00919	0.5
307.09030	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	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96713	0.4
61.34177	0.2
69.48795	0.9
74.99078	6.0
91.02216	3.2
93.00151	2.3
98.21812	0.3
143.05345	0.4
149.00966	3.2
159.08482	7.7
160.08572	0.2
161.06424	2.0
161.09622	0.2
165.77162	0.2
192.98212	0.7
206.99780	1.8
209.01311	2.4
210.01297	0.2
217.07268	1.0
223.02849	52.3
224.02882	4.0
225.00720	0.4
241.03888	0.4
275.05933	0.6
289.07553	1.9
291.09122	100.0
292.09290	9.6
301.39420	0.2
307.12213	2.6
307.19223	0.3
309.10257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
59.96732	0.3
60.97507	0.3
67.40102	0.3
70.91493	0.3
70.91824	0.3
74.99078	6.6
91.02230	2.3
93.00132	2.3
93.80840	0.3
109.12910	0.3
129.99867	0.3
143.05330	0.7
149.00966	2.4
159.08478	6.6
161.06392	1.7
185.22096	0.3
192.98129	0.8
206.99715	2.1
209.01285	2.5
217.07222	0.9
223.02847	48.6
224.02904	3.8
225.00702	0.5
233.80916	0.3
241.03972	0.8
275.05933	0.4
289.07620	1.9
291.09122	100.0
292.09274	9.8
296.93542	0.3
307.12286	2.9
307.19009	0.3
308.09412	0.3
309.10190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1403
Annotation	NSC-224070
Peak:m/z	Relative Intensity
52.82160	0.4
55.01878	1.6
56.12205	0.4
57.03440	1.1
58.00581	0.4
59.01384	58.2
60.01715	0.7
65.01766	0.5
69.39764	2.3
71.01388	27.4
72.99337	0.7
73.02962	3.5
83.01391	2.3
85.02959	7.2
86.06126	0.4
87.00895	1.7
89.02452	21.3
92.85038	0.4
94.92386	0.5
95.01402	2.3
96.96001	0.7
97.06591	0.4
99.00904	0.7
99.08167	23.4
100.08504	0.7
101.02448	17.8
101.03116	0.9
102.02802	0.7
113.02460	9.5
113.09663	0.4
119.03516	9.7
127.07676	4.4
129.09230	3.0
131.03508	0.6
141.09229	2.0
141.83574	0.4
143.03516	1.1
143.07114	0.5
145.08723	70.7
146.09077	2.1
146.66548	0.5
149.02455	0.4
161.04564	1.4
179.05650	1.1
187.09781	1.5
187.19238	0.5
250.93144	0.5
307.14017	100.0
308.14355	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
57.03449	3.4
59.01385	1.7
64.58983	0.6
65.03970	67.0
65.49908	0.6
66.04300	1.4
67.01885	0.9
68.02549	0.9
69.03468	1.3
71.05029	42.1
72.05362	0.7
80.02669	0.8
83.05032	2.7
95.05053	1.4
96.96038	0.9
97.06600	72.2
98.06934	1.6
103.71679	0.6
107.05053	0.7
109.06609	1.4
117.03516	1.2
119.08681	12.7
120.09078	0.9
121.06611	100.0
122.06960	3.7
123.08169	3.5
125.09740	47.5
126.10074	1.5
137.09755	4.8
141.12914	3.0
141.13821	0.7
165.12923	0.8
167.14484	1.2
169.08737	0.7
185.11852	86.2
186.12175	3.8
209.09839	1.4
209.11848	33.6
210.12170	2.4
211.13408	34.8
212.13788	1.8
217.12419	2.1
233.15474	1.7
235.13411	93.8
236.13742	6.5
249.14975	1.7
251.16432	0.8
288.64072	0.6
289.18152	16.7
307.16293	0.9
307.19168	24.9
308.19553	1.8
310.99570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11753	0.8
55.01887	4.5
55.02104	0.8
57.03456	3.6
65.03970	56.8
66.04305	1.6
69.03474	1.7
69.31220	2.8
71.05029	37.4
72.10175	0.8
80.62478	0.7
83.05069	1.3
95.05011	1.2
97.06596	68.7
98.06950	1.4
107.05083	1.3
109.06537	1.1
119.08679	10.1
121.06608	100.0
122.06931	2.9
123.08189	2.3
125.09741	41.3
126.10047	1.2
129.54610	0.8
137.09764	4.1
139.11348	0.9
141.12851	2.3
143.47426	0.8
163.11310	1.4
167.14351	1.0
171.10205	0.9
185.11844	75.1
186.12120	3.8
209.11852	30.6
209.13373	0.7
210.12259	1.5
211.13414	36.6
212.13777	1.6
217.12379	2.0
233.15462	2.1
235.13409	87.3
236.13710	5.3
240.78947	1.0
271.17044	1.3
289.18100	16.3
307.15884	1.5
307.19171	21.4
308.19473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95883	0.6
57.03445	0.9
59.01386	2.1
69.03468	0.9
69.99216	1.8
71.05023	5.6
78.88988	0.5
79.91813	0.5
80.02652	0.7
81.03462	1.9
82.96841	0.5
83.05031	2.3
95.05043	1.5
96.96043	3.9
97.06608	0.8
98.03744	2.0
106.04246	1.1
107.05023	0.7
109.06604	15.8
109.07321	0.5
110.66929	0.6
111.04538	7.0
111.08179	1.1
112.05316	1.5
123.08161	2.2
127.07660	4.4
135.08144	0.9
137.09703	1.0
143.10796	2.1
145.06601	2.1
149.06094	1.4
149.09752	1.5
167.10785	2.4
177.12863	0.9
179.10748	1.6
187.11118	0.6
191.14507	1.1
195.13931	4.7
207.17569	0.7
235.13402	1.9
245.19130	6.6
249.15050	0.8
251.16533	1.0
271.17120	1.9
287.16498	2.5
289.18130	100.0
290.18423	7.8
307.15775	2.2
307.19098	11.4
308.19540	1.0
322.30576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65799	1.5
57.03437	2.9
59.01373	3.6
68.02551	8.1
95.05035	2.5
97.06561	2.6
98.22723	3.0
107.08677	20.3
112.01213	1.4
112.32741	1.4
118.67645	1.5
119.08658	4.6
123.04498	3.2
123.08186	10.1
125.09736	10.1
135.08177	2.0
137.09761	11.4
139.11278	2.5
141.09221	2.3
149.09749	2.5
151.11287	2.1
162.23082	1.6
163.11261	1.9
171.10254	5.0
177.12708	1.6
191.14490	2.1
199.09792	18.2
199.13461	9.6
200.10542	7.2
209.15468	2.0
213.11391	6.3
223.13339	3.1
224.09250	4.6
225.08673	5.1
245.19176	20.4
263.20221	5.9
271.17041	2.8
279.19876	1.9
289.18140	53.1
290.18286	4.5
307.19159	100.0
308.19528	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45800	2.6
57.03446	10.2
59.01377	8.6
64.05292	2.6
69.03445	3.5
69.27133	17.1
71.01372	8.0
78.14814	2.7
79.95732	4.0
83.05006	5.5
91.11952	2.7
95.05032	2.9
97.06580	18.3
101.47695	3.1
109.06600	5.6
111.08169	12.5
121.06572	7.5
123.04607	3.6
123.08128	2.9
125.09730	11.6
128.30650	2.6
135.08182	5.9
137.09702	4.8
151.07756	3.2
151.11293	24.6
153.09259	7.1
153.12828	4.5
155.10786	12.3
162.85907	2.6
163.11313	9.1
165.12878	26.0
167.10844	5.4
169.12309	3.6
171.10284	14.0
174.52902	3.2
177.12955	4.1
179.10776	5.0
181.12395	23.4
185.11845	20.7
186.78009	3.0
187.58112	3.0
191.10840	9.6
191.14481	8.7
197.11951	3.4
205.12415	3.1
208.23833	3.2
209.11848	48.5
211.13428	8.6
245.19093	37.7
246.19356	3.5
261.18591	4.5
263.20206	13.1
271.16873	4.7
279.19687	8.8
289.18182	53.0
307.13834	5.0
307.19180	100.0
308.19504	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.5
59.01385	5.0
59.04781	0.8
69.03466	1.5
75.63163	0.9
78.85305	0.8
80.02682	2.3
81.03468	6.5
82.30867	0.8
83.01406	5.7
83.05020	3.6
93.03434	1.2
94.23299	0.8
95.05025	3.4
97.02967	5.7
97.06601	9.5
106.04223	1.8
107.05163	1.0
109.06598	3.1
110.03741	2.2
111.08227	1.0
113.11594	0.9
119.08672	1.7
121.06580	1.9
121.10275	1.0
123.04534	11.2
123.08165	3.0
125.06101	1.6
125.09737	16.6
126.10007	1.0
135.08153	3.0
137.06105	1.7
137.09734	15.4
141.12878	3.8
147.94987	0.9
149.06085	2.0
149.09752	1.6
151.11360	1.1
161.09749	1.3
163.07690	1.4
163.11307	16.4
163.12659	1.0
165.09195	1.5
165.12834	4.5
167.10847	0.9
171.10257	2.4
173.09750	1.0
177.12868	2.1
179.10785	2.6
181.12355	4.5
185.11855	20.7
186.12251	1.1
191.10770	3.5
191.14424	17.6
192.14725	1.0
197.11700	1.1
207.10303	11.0
209.11858	29.4
210.12080	1.2
211.13463	1.3
217.15990	3.3
225.11331	11.4
226.12024	2.4
227.18100	1.6
243.17564	1.1
245.19142	41.4
246.19438	2.8
263.20251	2.9
271.16965	4.2
284.19565	0.9
287.16779	1.3
289.18130	100.0
290.18478	8.6
307.13531	2.2
307.19171	55.5
308.19446	3.6
310.18750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01379	4.8
69.03463	1.0
69.06403	6.5
71.01412	1.5
73.02948	2.8
76.97640	0.8
78.77426	0.8
93.94727	0.9
96.96030	5.2
97.06625	4.4
99.04528	1.1
106.04286	1.2
107.08677	24.5
109.06644	1.1
111.08157	0.9
119.08691	5.5
121.06590	1.2
123.04537	1.4
123.08214	5.2
125.06104	1.8
125.09751	16.5
127.11280	1.0
135.08148	2.5
137.09735	8.3
139.11320	2.2
139.12411	1.0
146.61147	0.8
149.09763	1.2
151.07683	1.8
151.11253	1.9
153.09232	2.2
153.12885	2.3
155.10754	1.4
168.11116	0.8
171.10323	7.6
177.09200	1.0
181.12360	3.1
183.13898	1.8
185.11922	1.0
187.09860	0.9
191.14424	2.2
196.07443	1.1
199.09770	24.2
200.10526	10.6
209.15465	5.2
213.11339	6.9
217.15967	2.0
226.12093	1.8
235.20564	1.2
240.28847	0.9
245.19115	26.9
246.19371	2.4
252.13768	1.3
261.18427	0.9
263.20157	8.3
268.72067	0.9
271.17059	2.1
279.19629	3.6
289.18109	40.6
290.18472	3.7
307.13504	2.5
307.16214	3.9
307.19156	100.0
308.19421	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	308.0567
Annotation	Aristoliukine B
Peak:m/z	Relative Intensity
59.63023	0.6
64.01928	4.0
65.00327	4.0
65.99853	12.9
66.00362	0.6
68.99769	0.5
69.66209	1.2
69.66599	1.2
83.01342	1.0
84.10303	0.6
88.01891	0.9
102.75617	0.6
103.52869	0.5
106.14332	0.5
108.00936	6.4
117.02118	0.7
117.20332	0.6
118.02998	2.6
127.26396	0.6
128.05014	1.9
132.00902	2.7
132.03128	0.7
132.04379	0.6
133.01651	0.9
148.00450	3.0
148.01431	0.9
150.01811	0.5
158.02483	5.2
161.01137	0.6
162.01952	2.5
164.49390	0.6
166.06570	0.9
167.05031	0.7
169.06587	0.5
170.06148	3.8
171.04472	2.0
175.98448	0.7
175.99918	13.5
176.01396	1.1
177.00146	0.6
180.08035	0.7
181.06573	0.7
187.99974	0.8
189.00645	1.3
192.08299	1.2
194.06065	2.1
195.04549	0.8
202.01466	7.8
208.07695	2.6
210.05565	4.1
212.07169	2.1
234.05606	1.8
235.06210	0.6
236.07149	9.3
237.05534	1.3
237.09241	1.2
238.05130	3.1
252.06642	3.8
265.08691	3.7
276.84067	0.5
278.04636	1.4
280.06165	95.9
281.06470	6.6
290.08182	0.9
291.06534	0.7
305.87964	0.5
308.05673	100.0
308.08853	3.5
309.05859	7.1
312.72983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1871
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
56.20502	0.2
58.02971	1.1
65.39495	0.2
69.78274	0.5
70.48419	0.2
70.56384	0.2
71.43992	0.2
81.03477	0.5
83.05080	0.2
95.05045	0.6
97.06596	0.3
109.06587	0.5
109.79713	0.2
110.07030	0.2
114.09256	6.4
115.09601	0.2
116.07186	100.0
117.07524	2.2
122.17586	0.2
155.31535	0.2
158.08206	0.4
165.12854	0.7
192.69038	0.2
300.12802	0.2
308.18695	28.2
309.18921	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29975	0.7
55.89025	0.8
59.01389	5.3
59.30626	1.0
60.24268	0.9
67.01904	1.5
68.99831	2.5
69.03374	2.7
69.03749	2.9
71.01387	1.7
76.92059	0.8
78.95892	1.8
80.96484	1.2
81.03460	1.6
83.01427	4.6
84.62450	0.8
87.04533	1.2
91.41772	0.8
93.03468	3.0
93.07138	0.9
95.01402	2.9
95.05040	3.7
96.96028	7.0
96.99343	1.1
97.02943	1.0
97.06621	1.7
102.62264	0.9
105.07139	1.1
106.04237	1.1
107.05070	2.6
107.44875	1.0
108.02180	1.6
109.02987	2.3
111.00883	2.1
111.04504	1.5
113.06070	1.5
117.03478	3.1
118.98112	8.1
119.05038	4.0
121.02908	2.1
121.06593	7.6
122.03771	0.9
123.00877	1.2
123.04538	3.8
123.08193	2.4
125.06124	1.3
133.02956	1.9
134.03748	1.2
137.02496	1.2
137.06110	3.0
139.04059	1.8
140.01176	2.8
141.05638	2.0
147.08163	1.9
149.02469	1.4
149.06108	15.4
149.09738	2.8
151.04024	1.5
151.07668	3.4
153.01920	0.9
163.04099	1.0
164.04834	1.3
165.01939	1.4
165.05571	2.3
165.09270	1.2
166.99876	3.1
167.03554	1.9
167.07191	2.9
168.00648	1.9
174.03288	1.1
175.04091	2.0
175.07632	2.1
177.01846	1.2
178.99802	1.1
191.07117	1.6
192.04361	2.1
193.01436	2.0
193.05132	6.2
193.06996	1.3
193.08702	11.5
195.06621	1.0
197.26743	0.9
203.07144	1.3
209.08150	1.2
211.02515	1.3
221.04619	8.8
221.08195	3.1
233.08163	1.5
237.07642	6.8
238.17566	0.9
247.06218	1.3
265.07190	100.0
266.07791	5.1
281.08585	1.9
281.11722	1.3
291.02802	0.9
308.38574	1.0
309.06207	29.1
309.10672	3.8
310.06509	2.0
323.30551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01875	1.4
57.03453	1.6
58.00591	0.9
59.01385	91.2
60.01720	0.8
61.98836	1.4
68.18206	0.7
69.10056	4.4
69.20955	0.8
70.46504	0.7
71.01387	42.2
72.99302	3.4
73.02952	2.0
75.00869	0.7
78.95914	13.6
79.95748	1.3
81.95320	1.1
83.01405	1.8
83.05021	1.1
84.94308	2.0
85.02956	7.2
85.06564	0.9
87.00880	0.8
89.02454	40.2
95.01415	3.5
96.96030	5.4
96.96972	7.0
99.00917	1.2
101.02458	28.0
101.03112	1.7
101.06093	1.4
101.11100	0.8
111.04491	1.6
113.02462	13.5
114.05621	0.7
118.39500	0.7
119.02670	0.8
119.03522	16.7
120.95476	1.9
128.93295	1.7
129.05592	17.6
130.08733	1.7
131.08287	16.4
143.03474	1.3
147.06674	5.8
148.06288	6.8
149.04597	1.1
150.04198	2.2
161.04546	2.8
173.10437	11.3
178.96080	3.5
179.05621	2.3
180.06689	0.9
190.94252	1.2
194.03448	0.9
208.97931	0.9
231.99802	0.9
243.08452	0.8
247.09047	0.7
250.03384	5.1
256.62628	0.8
268.04327	2.0
283.11871	0.8
309.11908	100.0
310.12125	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	309.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99361	0.8
52.65023	0.6
54.69993	0.7
55.33220	0.7
59.01385	100.0
60.59319	0.6
63.31231	0.7
71.01392	2.0
71.40825	0.9
73.02943	0.9
75.00924	0.7
78.95898	0.8
80.96525	2.8
83.01401	1.1
85.02962	1.0
95.01403	0.9
101.02444	2.0
105.01933	1.5
113.02537	1.2
119.05047	1.2
129.71101	0.7
135.04622	1.7
148.44829	0.6
150.05612	3.6
217.27534	0.7
233.08310	2.3
249.13556	3.5
309.10120	3.2
309.13614	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	309.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
70.06558	1.8
70.06880	1.0
78.28135	0.8
87.57391	0.8
95.01395	32.6
95.02006	1.6
109.02940	1.7
110.02501	3.0
111.86607	0.8
112.08845	1.4
119.05053	2.1
121.02951	1.1
123.00897	18.0
124.01269	0.9
125.02461	2.0
127.00401	0.8
136.04109	0.9
136.98820	0.9
137.02458	1.1
138.03218	6.6
139.00404	4.9
140.03575	6.8
153.05600	6.7
170.78004	0.8
179.02191	2.1
180.03001	1.8
181.10014	0.8
192.02899	1.1
192.06633	1.2
193.03819	5.1
194.04610	12.8
195.04834	1.4
207.24695	0.9
208.06163	14.4
209.09299	9.0
220.06189	2.9
222.07776	1.2
234.08850	3.5
237.08821	3.7
240.55318	0.9
251.10396	1.4
252.11320	1.1
262.05539	1.8
262.08331	35.1
263.08673	2.3
267.13483	3.3
276.09961	4.0
277.10672	4.4
279.11008	57.4
280.11218	3.1
292.13068	3.1
293.12570	9.3
294.13364	58.8
295.13647	3.6
309.15701	100.0
310.07428	0.9
310.16080	7.8
313.05164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44272	0.9
59.01378	10.1
61.92510	1.0
65.00358	1.0
67.01897	0.9
68.99831	1.6
69.03452	3.0
69.08127	2.2
69.08527	3.6
71.01389	1.4
90.03497	3.0
91.01898	5.5
95.01383	5.0
97.02963	3.5
97.06602	2.6
99.00896	3.9
101.06101	11.0
106.04257	1.9
108.02216	1.2
109.06567	1.0
110.03745	2.9
113.02460	1.4
115.07670	8.2
118.03007	3.9
119.01392	1.2
123.04527	1.1
123.05359	1.0
124.08041	0.9
125.09726	2.3
127.07642	1.6
134.02521	2.7
135.00906	2.5
136.08946	2.3
137.09772	1.1
138.01988	18.3
138.03114	1.5
147.04492	0.9
147.08221	1.4
149.09708	1.3
151.04010	16.8
151.07664	12.0
151.11295	8.3
152.08444	33.3
152.09671	1.9
153.09061	1.2
153.12831	1.0
161.09741	3.2
162.02010	7.2
162.10516	31.2
162.17334	0.8
163.00380	10.8
163.11307	6.1
163.99922	4.8
165.05611	2.1
167.10783	9.0
171.04541	12.8
175.07639	1.9
178.01465	5.0
179.07199	4.5
179.10835	4.7
180.07921	9.0
183.13916	18.6
184.07504	2.0
184.14247	1.9
190.10004	12.3
193.06618	3.5
193.08717	9.9
195.08159	2.8
206.00952	11.7
208.11090	11.7
209.15474	41.0
210.15822	2.2
219.17546	25.7
220.17926	2.7
221.06125	8.7
221.11729	1.2
221.19121	1.7
224.10712	1.6
225.05545	1.3
236.14362	0.9
237.05508	2.0
237.14990	3.8
239.07066	1.4
247.17036	8.3
247.20634	2.0
249.05455	1.2
252.10046	6.8
263.16623	1.4
265.05023	9.4
265.18155	8.7
267.06656	11.6
281.04437	1.2
281.17618	16.2
282.07782	5.4
282.17935	1.7
291.16132	2.6
291.19659	41.5
292.20016	2.4
293.04587	3.3
309.17111	100.0
309.20374	4.1
310.07257	64.6
310.10587	2.5
310.17282	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	309.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08447	0.3
55.21224	0.3
64.97018	0.7
69.27882	1.7
75.64388	0.4
79.95745	11.8
80.96513	0.8
92.69196	0.4
94.75080	0.4
94.98104	1.2
95.95232	2.9
96.96020	97.2
109.33126	0.4
122.97598	3.4
138.97153	0.4
151.76645	0.4
156.99159	0.4
185.61305	0.4
309.17432	100.0
310.17773	9.1
311.70050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.41054	0.6
57.03447	1.3
58.00595	0.7
59.01384	1.2
69.65948	1.3
69.66334	1.4
73.89738	0.6
96.17249	0.7
97.06602	1.3
123.08180	1.7
125.06098	1.2
125.09758	6.0
127.11300	1.6
137.09737	2.1
139.11279	1.0
141.09235	2.2
153.09213	2.0
153.12898	0.8
155.10823	1.5
171.10258	4.0
183.13959	1.8
185.11935	1.8
199.09753	5.2
200.10538	6.9
201.11359	4.9
209.77379	0.7
213.79437	0.7
247.20677	6.0
253.03792	0.7
263.20047	0.9
265.21735	2.2
273.18628	0.9
281.21140	1.5
291.19687	13.9
292.20090	1.1
309.20740	100.0
310.21136	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.60352	0.3
55.01863	0.8
57.03212	0.4
57.03448	3.7
57.28522	0.4
58.70800	0.3
59.01384	2.2
69.03453	0.5
69.06969	0.8
69.07379	1.4
71.01377	0.5
71.05023	19.9
72.05331	0.6
77.74973	0.4
81.07106	0.4
83.04998	1.0
84.69832	0.3
89.18905	0.4
93.03439	0.9
93.07066	1.1
95.05015	2.0
97.06596	6.7
98.22720	0.9
107.05030	2.0
109.06585	0.6
111.08128	0.4
117.03453	0.5
119.05007	0.7
119.08656	1.7
121.06628	0.5
121.10239	11.8
122.10606	0.4
123.04537	0.8
123.08160	2.1
125.09727	10.4
127.11295	0.6
135.08147	1.5
137.09732	21.8
138.10083	0.7
139.11276	0.5
141.12834	1.7
147.08142	1.2
157.12282	0.5
163.11217	0.4
163.14912	0.6
165.12715	0.4
167.14377	0.4
171.10284	45.0
172.10553	1.9
181.12384	1.3
185.11848	17.8
193.15994	0.4
195.13904	0.9
197.11795	2.5
207.13911	1.5
207.17496	0.8
209.11861	1.2
211.13361	1.4
217.15912	0.5
219.13861	2.1
223.13567	0.6
233.15456	0.8
235.17046	2.0
237.14946	2.5
247.13477	0.4
247.20729	2.2
251.16536	46.5
252.16866	2.6
261.18085	0.5
273.18643	2.0
289.18039	0.7
291.19678	100.0
292.20062	8.9
309.20721	74.7
310.21051	7.2
323.30826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22842	1.3
57.03437	4.0
65.00329	2.4
67.01894	2.0
68.42499	1.4
68.99824	2.9
69.08545	10.2
71.05024	16.7
81.03463	2.3
83.05058	1.6
90.03479	5.3
91.01900	10.6
93.03477	1.9
93.80077	1.7
95.01377	5.7
95.05074	2.0
97.06592	8.3
106.04490	1.4
107.98563	1.4
118.03003	8.9
119.08656	2.1
121.10220	11.7
125.09729	8.6
134.02489	3.3
135.00897	2.5
137.09726	26.5
138.01968	20.1
147.57109	1.4
159.34175	1.5
162.01942	13.0
163.00383	17.8
163.99890	8.2
165.07111	1.9
171.04546	17.0
171.10277	49.1
178.01477	6.6
185.11838	17.9
186.47444	1.5
193.06581	3.6
195.08159	3.2
197.11823	3.1
201.00282	1.5
206.00946	16.2
209.12001	2.4
211.13419	2.3
221.06059	9.0
235.17068	2.1
237.14972	2.9
238.09209	1.7
247.20639	2.5
251.16539	46.2
252.16747	2.4
265.05081	11.7
266.08395	2.0
267.06644	18.0
268.06061	2.5
282.07712	6.6
291.19690	100.0
292.19937	9.6
293.04547	2.6
309.17627	2.6
309.20718	75.2
310.07230	93.2
310.21155	7.7
318.56458	1.5
319.43011	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22038	1.0
57.03459	1.3
59.01382	2.0
71.03510	1.1
71.05025	5.1
80.02697	1.3
81.03478	1.2
84.02168	0.9
97.02986	2.1
97.06606	1.5
97.92392	1.0
119.08784	0.9
123.08179	1.8
125.06104	2.0
125.09745	3.3
126.59874	1.1
127.11245	1.2
137.09729	5.1
162.10576	1.2
163.11322	3.2
165.12854	7.8
171.10294	12.0
179.14418	1.9
181.12393	2.6
185.11780	2.1
193.16017	2.1
201.38243	1.1
209.11873	2.3
223.13361	1.5
227.12950	4.5
247.20744	9.0
251.16586	2.3
267.92395	1.0
273.18628	2.9
291.19681	100.0
292.20026	8.6
309.20764	79.3
310.21158	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19575	1.0
52.46701	1.0
58.00599	1.9
71.05043	2.1
77.36754	1.0
77.67706	1.1
96.60703	1.0
96.96008	2.0
97.06653	1.7
98.21914	2.9
99.46471	1.0
107.08687	32.3
108.09043	1.5
118.60793	1.1
119.08682	9.1
121.10260	2.0
123.08241	1.5
125.09765	5.7
127.11310	7.3
135.08179	1.4
137.09735	12.1
153.28191	1.0
155.10744	3.0
165.09233	2.6
171.10286	49.0
172.10698	2.0
185.11841	3.5
201.11346	100.0
202.11707	3.7
209.15436	1.1
229.19621	3.7
243.85110	1.1
251.16512	2.7
273.18628	15.1
274.18860	1.9
291.19675	23.3
292.19943	1.2
309.20749	31.0
310.21042	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98352	0.8
65.04132	0.8
68.99812	3.1
69.03464	7.4
69.35322	3.7
83.05036	1.5
90.03502	2.2
91.01900	5.8
95.01411	4.0
107.08681	4.1
108.05804	2.6
108.14339	0.9
118.02985	4.6
119.08690	13.8
125.09731	2.1
127.11312	1.9
133.68613	0.9
134.02513	2.6
135.00919	2.2
135.08205	4.7
137.09740	50.3
138.01990	13.8
138.02963	1.6
138.10109	1.4
155.10907	1.1
162.01979	6.0
162.80620	0.9
163.00400	10.7
163.99854	4.3
165.07126	0.8
171.04536	13.0
171.10289	100.0
172.10603	3.7
178.01515	4.8
178.41490	0.9
185.11900	1.0
193.06525	4.2
195.08260	1.1
200.10498	1.0
201.11333	20.2
206.00922	8.7
221.06174	6.3
237.05421	1.2
265.05048	10.7
267.06625	11.1
273.18680	4.1
282.07816	5.1
291.19760	8.4
293.04599	2.5
309.20682	17.9
310.07236	61.7
310.21133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01369	4.0
63.45312	1.5
69.03463	4.5
69.52470	3.4
69.52874	5.3
78.63182	1.7
81.80744	1.5
83.05030	1.8
91.84793	1.4
111.08126	2.1
119.08682	15.0
125.09722	5.7
127.11292	4.0
135.08150	3.3
137.09724	32.7
137.10706	3.5
138.09999	2.3
139.11232	1.9
152.08417	3.4
155.10815	3.9
167.10780	3.6
171.10283	100.0
172.10606	3.4
183.10226	5.7
185.11824	24.6
195.14044	1.9
197.11835	4.0
201.11319	6.8
208.99463	1.7
209.15376	2.9
211.13293	2.2
213.11345	8.2
225.26291	1.8
229.19603	2.7
232.58026	1.7
273.13882	1.7
273.18503	7.0
291.19659	36.5
309.17114	5.3
309.20673	36.9
310.20990	2.9
313.20245	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
69.03455	4.2
69.68648	6.0
85.42836	1.6
107.08664	2.6
108.05844	2.1
110.29073	1.5
119.08678	20.3
125.09725	8.8
127.11333	2.3
135.08102	3.1
137.09737	30.9
139.11288	2.7
143.97577	1.6
155.10757	4.7
167.10799	5.0
171.10278	100.0
172.10699	3.4
179.22591	1.9
183.10268	7.6
185.11856	26.5
195.10323	2.7
201.11336	8.6
211.13387	1.9
213.11311	12.5
229.19589	5.1
269.65863	1.9
273.18637	9.4
291.19647	34.9
292.19904	3.4
309.17114	3.2
309.20715	61.1
310.21078	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.7
57.74601	1.7
67.01868	2.6
69.10060	15.3
71.05039	1.8
80.02689	10.7
81.03459	6.1
83.05036	34.1
84.02180	18.2
95.05046	1.9
97.06594	6.6
98.22607	5.0
99.08156	10.5
109.06611	3.4
109.36255	2.2
110.03734	2.0
113.09695	2.3
115.07645	3.5
123.04544	3.9
125.09704	6.6
127.11301	6.4
135.08185	2.5
137.09729	52.9
137.10794	2.7
139.11299	8.7
151.11317	6.9
152.08453	1.9
153.09229	10.3
153.12881	2.7
155.10785	52.8
163.11369	2.4
167.10750	5.8
171.10280	54.3
177.12857	2.5
178.05391	1.8
183.01134	4.0
193.12350	32.2
197.02744	3.7
209.02797	3.4
209.11792	4.7
211.13319	3.7
223.04362	3.0
241.07553	2.1
247.20638	7.4
251.07443	2.4
263.20105	7.7
265.09100	2.4
265.21658	6.0
291.19690	100.0
292.19962	9.3
309.15259	72.1
309.20691	79.6
309.23679	1.4
309.24457	2.5
310.15570	7.8
310.21075	9.7
317.05020	2.3
332.39310	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.7
57.74601	1.7
67.01868	2.6
69.10060	15.3
71.05039	1.8
80.02689	10.7
81.03459	6.1
83.05036	34.1
84.02180	18.2
95.05046	1.9
97.06594	6.6
98.22607	5.0
99.08156	10.5
109.06611	3.4
109.36255	2.2
110.03734	2.0
113.09695	2.3
115.07645	3.5
123.04544	3.9
125.09704	6.6
127.11301	6.4
135.08185	2.5
137.09729	52.9
137.10794	2.7
139.11299	8.7
151.11317	6.9
152.08453	1.9
153.09229	10.3
153.12881	2.7
155.10785	52.8
163.11369	2.4
167.10750	5.8
171.10280	54.3
177.12857	2.5
178.05391	1.8
183.01134	4.0
193.12350	32.2
197.02744	3.7
209.02797	3.4
209.11792	4.7
211.13319	3.7
223.04362	3.0
241.07553	2.1
247.20638	7.4
251.07443	2.4
263.20105	7.7
265.09100	2.4
265.21658	6.0
291.19690	100.0
292.19962	9.3
309.15259	72.1
309.20691	79.6
309.23679	1.4
309.24457	2.5
310.15570	7.8
310.21075	9.7
317.05020	2.3
332.39310	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62418	0.9
53.77732	0.9
55.51473	0.9
57.03447	2.1
57.23940	1.0
59.01391	1.9
69.03479	1.2
74.55930	1.1
75.78503	1.0
79.47694	0.9
80.02698	1.7
83.01395	1.3
83.05061	1.3
83.41796	1.0
97.06580	1.9
98.03741	1.1
98.21872	4.7
111.77448	1.0
123.04513	2.6
123.08199	2.9
125.09712	7.2
137.09695	2.8
139.11304	3.3
141.09177	1.3
151.11299	4.1
152.08482	2.0
153.09222	1.7
153.12868	1.4
155.10789	2.0
163.11348	1.2
164.26491	1.1
165.12894	3.1
167.14459	1.4
171.10307	3.0
181.12355	1.9
193.12346	1.7
193.16019	2.1
199.09784	2.5
200.10492	3.3
209.11958	5.4
221.11732	1.7
223.40945	1.0
229.19629	1.3
247.20700	13.7
248.20987	1.6
265.21753	3.3
273.18527	3.0
291.19687	100.0
292.20016	7.7
309.15292	22.3
309.20718	76.3
310.15704	1.6
310.21042	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	1.3
58.42735	1.1
59.01382	6.7
59.67956	1.2
65.00301	2.0
67.01868	2.3
68.99806	4.1
69.03458	9.3
69.87560	3.6
75.73296	1.2
81.23520	1.2
83.05026	2.1
90.03497	4.6
91.01908	10.6
95.01423	6.4
95.05132	1.3
97.02938	2.7
107.08653	5.2
108.05808	1.4
118.02982	6.5
119.01387	1.6
119.08685	11.3
121.10219	1.4
125.09711	1.5
128.72942	1.3
134.02513	3.5
135.00877	2.5
135.08160	3.4
137.09738	38.8
138.01987	22.2
138.10069	1.8
148.75046	1.1
151.11255	2.3
162.02000	13.1
163.00391	19.5
163.99939	8.2
165.07072	2.4
169.06589	1.2
171.04541	20.7
171.10287	63.7
172.10558	1.8
177.12898	1.5
178.01498	7.3
179.10776	2.0
185.11853	1.8
193.06656	6.4
195.04504	1.4
195.08107	2.9
195.13936	3.2
201.11328	20.9
203.99338	1.6
206.00967	20.7
209.06111	2.2
210.90044	1.2
221.04306	1.9
221.06131	11.5
221.11774	2.8
223.02126	1.5
225.05609	1.7
226.68753	1.3
237.05580	2.3
239.07173	2.6
239.12827	1.8
239.43361	1.4
247.20685	4.3
249.05482	1.3
259.40134	1.3
265.05096	13.0
267.06693	17.7
273.18573	5.7
282.07739	7.0
291.19693	75.0
292.20016	9.2
293.04599	3.0
309.02377	4.2
309.05804	2.1
309.17419	2.3
309.20728	44.7
310.07245	100.0
310.21127	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	310.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31443	0.6
64.14190	0.7
65.55437	0.7
70.02251	1.6
75.18423	0.7
90.03496	9.1
91.01898	9.8
95.01381	9.6
118.03012	14.5
119.01391	4.7
121.15649	0.7
129.53421	0.7
134.02510	5.8
135.00877	4.9
138.01985	47.2
139.02316	0.9
143.05054	1.4
161.02426	1.4
162.00604	1.0
162.01973	25.3
163.00385	27.6
163.99899	14.3
171.04546	6.6
178.01466	14.5
193.06625	1.7
206.00954	36.1
207.01163	1.1
221.06081	3.2
239.07144	2.1
265.05145	4.3
267.06622	6.9
282.07898	1.6
293.04623	1.3
310.07220	100.0
311.07788	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	310.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.8
66.03512	0.9
67.81251	0.6
68.99817	3.4
69.86033	1.9
78.99400	0.7
81.05320	0.7
83.98726	0.6
90.03513	4.9
91.01900	10.9
92.01482	0.9
92.99834	0.9
95.01391	7.6
101.03988	1.3
118.02990	9.4
119.01399	2.6
127.05576	0.6
134.02484	4.6
135.00888	4.3
138.01985	30.5
143.05002	1.1
162.01988	13.1
163.00388	19.2
163.99852	8.4
165.07130	1.6
171.03053	0.9
171.04530	18.7
172.04866	0.9
178.01472	10.4
193.06589	7.9
195.08144	3.9
206.00954	22.1
207.01384	1.1
209.06203	0.8
220.05327	1.0
221.06081	13.3
222.06529	0.9
223.03960	0.6
237.05478	1.4
239.07234	3.1
265.05084	15.1
266.05338	1.6
267.06647	20.0
267.09399	1.3
268.06906	2.3
282.07697	7.9
283.14191	0.7
293.04590	4.9
310.07230	100.0
311.07666	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	310.0723
Annotation	Furoparadine
Peak:m/z	Relative Intensity
50.04625	0.3
57.50103	0.3
65.00320	1.2
67.01899	1.8
68.99821	6.1
70.06309	1.0
90.03497	2.1
91.01902	15.5
93.43658	0.4
95.01390	4.5
101.03970	1.5
103.06651	0.3
104.57845	0.4
108.02172	0.6
115.05524	0.6
117.03455	0.7
118.03031	0.6
119.01409	1.5
123.03175	0.4
127.05556	0.6
130.72823	0.3
132.02225	0.4
134.02505	2.7
135.00885	5.5
137.02502	0.4
138.01984	10.0
143.05031	1.2
143.71527	0.4
147.04533	1.1
148.01622	0.7
151.05504	0.6
161.02466	0.6
162.01904	1.7
163.00383	12.0
163.99844	1.9
165.07124	2.4
167.08699	0.6
171.04526	27.7
172.04869	1.3
175.05580	0.4
176.01176	1.2
177.07069	0.6
178.01485	3.1
191.02321	0.4
192.05807	1.4
193.06602	11.1
194.06973	0.7
195.04474	0.6
195.08148	4.5
197.06085	0.6
203.05128	0.4
204.05783	0.6
206.01009	1.6
208.05376	0.8
209.06096	1.4
211.07663	0.4
219.01730	0.5
219.04549	1.0
220.05309	1.4
221.06091	18.5
222.06393	1.1
223.07698	0.7
225.05586	0.9
237.05487	3.3
239.07147	3.2
249.05566	1.6
265.05066	22.7
266.05392	2.3
266.08087	0.6
267.06638	31.9
268.06802	2.5
282.07718	11.2
283.08273	0.7
293.04590	6.9
294.04721	0.7
310.07227	100.0
310.56564	0.4
311.01706	0.3
311.07742	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	310.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	1.4
67.01900	1.2
68.99815	4.2
70.09258	1.3
70.09594	0.8
77.69617	0.5
85.69366	0.6
90.03510	4.5
91.01899	12.9
92.01411	0.6
95.01387	6.1
98.21941	0.7
99.68419	0.6
101.03987	1.0
105.89886	0.5
111.96609	0.6
117.03506	0.7
118.03006	8.2
119.01368	2.8
120.00878	0.6
134.02496	4.5
135.00908	4.3
137.02367	0.6
138.01982	23.7
139.02328	1.3
143.05011	1.0
147.04527	1.1
148.01671	0.8
151.79497	0.6
162.01981	12.4
162.03235	0.5
163.00386	17.6
163.99854	7.4
165.07097	1.4
171.04532	23.4
172.04768	0.9
176.01157	0.7
177.07068	0.9
178.01465	10.8
184.29922	0.6
192.05809	0.6
193.06580	7.0
195.08121	3.5
197.06070	0.8
206.00963	17.8
207.01207	0.7
209.06113	1.0
220.05286	1.0
221.06090	11.2
223.07626	1.0
225.05605	0.7
237.05656	1.6
239.07251	3.0
249.05511	0.7
265.05069	12.4
266.05719	1.1
266.08267	1.0
267.06625	22.5
268.06784	1.3
282.07755	7.0
284.42426	0.7
293.04507	3.8
310.07230	100.0
311.07455	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	310.0936
Annotation	Dhurrin
Peak:m/z	Relative Intensity
55.01880	1.7
55.91047	1.2
56.23988	1.1
59.01387	62.0
70.70220	2.1
70.70557	1.3
71.01389	30.2
72.99316	1.6
73.02950	5.1
75.00887	3.0
85.02953	7.6
87.00884	4.7
89.02452	30.2
89.03290	1.5
92.05060	7.5
92.54620	1.3
94.87042	1.3
95.01390	2.5
101.02450	18.0
106.34031	1.3
113.02462	10.8
116.05082	2.9
118.02999	3.6
119.03504	11.7
120.04588	7.7
128.05075	1.9
131.03716	6.9
132.04572	14.7
134.06107	3.6
136.14604	1.3
143.03465	1.6
144.04541	9.1
146.02496	31.4
146.03653	1.7
146.06123	1.9
147.03281	100.0
148.04097	19.2
155.30254	1.5
156.63095	1.4
158.06073	3.4
160.04056	83.7
161.04427	5.1
172.04080	7.6
174.05621	14.5
179.02286	4.8
179.05661	4.9
186.05615	4.1
202.05110	25.7
214.05107	8.5
229.15575	3.6
232.06187	4.0
310.09338	82.7
311.09698	3.9
316.51459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12616	2.5
59.01382	62.8
71.01388	34.1
71.30739	3.5
73.02966	6.1
85.02980	5.6
88.64916	2.7
89.02462	32.2
92.05066	8.0
101.02442	23.1
113.02409	14.0
116.05021	2.6
118.02994	5.8
119.03519	13.3
120.04559	7.5
131.03711	6.1
131.75412	2.8
132.04552	20.4
132.38626	2.7
144.04579	9.3
146.02505	39.2
146.06117	4.5
147.03282	100.0
148.04115	18.7
158.06110	3.3
159.03259	4.4
160.02730	5.6
160.04059	92.8
161.04420	6.3
172.04057	7.6
174.05678	14.7
179.02243	4.2
179.05650	2.9
186.05521	5.0
202.05142	29.2
208.70262	2.6
214.05096	6.8
232.06128	5.1
310.09409	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12564	0.6
53.90505	0.6
55.01878	0.6
57.03442	1.4
59.01393	3.4
65.00318	1.2
68.60305	0.6
69.03407	0.7
69.14288	1.1
69.14686	3.6
71.01384	1.6
71.05033	1.2
72.99303	1.2
73.02959	1.8
73.84570	0.7
74.02477	1.1
78.03025	0.6
79.85725	0.6
79.95745	1.8
81.03474	0.7
82.54270	0.6
83.05017	1.4
83.38216	0.7
84.04581	0.6
85.02970	2.3
87.00890	1.4
91.79880	0.6
93.03465	0.7
95.05022	0.8
101.02454	1.3
102.05620	64.7
103.05956	1.0
108.02190	1.3
109.02966	0.9
109.06602	1.0
113.02442	1.4
121.02953	1.0
121.06604	1.3
122.03761	12.5
123.04540	1.9
124.01682	0.9
124.03973	0.6
128.03552	65.3
129.03879	1.1
134.06116	0.9
135.04558	1.3
135.08154	1.3
136.98816	1.4
137.02437	1.3
137.06096	2.9
137.09676	0.8
146.04608	100.0
147.04991	1.7
148.01694	2.1
150.03282	0.8
151.04027	1.0
154.02710	0.7
158.47404	0.7
161.09734	1.9
163.04036	3.1
163.07579	0.7
167.03503	2.1
175.11401	0.7
177.09218	1.5
178.09627	0.7
179.10793	2.6
181.05060	5.3
187.11287	0.8
205.08684	2.0
205.12354	1.9
207.05423	3.0
222.07915	1.3
222.12067	1.1
223.09801	1.7
223.13371	2.1
233.93117	0.8
241.05040	2.4
248.09497	1.3
249.11287	2.1
266.06906	1.9
266.10580	2.5
267.08795	2.2
267.12442	2.8
292.08331	1.7
310.05939	1.7
310.09415	29.7
311.07666	5.4
311.11295	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	310.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82322	1.0
57.03458	1.1
59.01389	1.9
62.35961	1.0
71.01387	1.6
71.43610	1.3
79.95770	2.9
81.03455	1.3
83.85229	1.0
92.50944	1.2
97.02982	1.6
97.06593	1.9
99.96345	1.0
102.82584	1.0
109.01898	0.9
123.04588	1.3
123.08163	1.5
124.08481	1.7
125.06098	1.5
125.09748	4.5
126.10085	3.2
137.09709	1.2
139.11316	2.5
151.11333	1.4
152.08398	1.7
152.11546	2.2
153.09187	1.8
165.12843	1.8
166.13243	2.3
171.10278	6.6
172.10579	1.9
183.01236	2.5
183.13963	1.4
184.01813	1.8
195.13895	2.0
197.02794	16.9
198.03365	2.9
199.09784	1.2
200.10432	2.5
201.11061	1.7
209.11861	2.7
210.12157	3.9
210.15813	1.7
211.04367	3.0
212.05020	1.2
224.04686	2.4
230.02820	1.1
238.06386	1.3
246.19495	1.3
248.21022	12.4
266.09198	2.5
266.22058	2.6
267.17505	1.7
274.18994	1.9
280.10980	2.9
291.19690	1.2
292.20026	82.3
293.21082	5.7
310.15656	100.0
310.21109	68.5
311.16757	47.4
311.22238	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0567
Annotation	Aflatoxin B1
Peak:m/z	Relative Intensity
63.12714	0.2
69.18312	1.1
73.11610	0.2
99.85989	0.2
100.22058	0.2
105.03461	0.6
115.01844	0.4
116.02710	0.3
117.03500	0.3
119.05029	0.3
132.02185	2.3
133.02969	100.0
134.03294	3.4
145.02968	0.2
147.04550	0.2
164.50987	0.2
167.05032	1.6
175.04056	1.8
195.04529	3.1
196.04881	0.3
207.04507	0.6
208.05028	0.3
211.03998	0.4
213.05540	0.3
223.04033	6.1
224.04681	1.4
234.03149	0.2
235.04019	1.4
249.01938	0.4
250.02719	0.6
251.03528	6.0
252.04198	1.2
256.03351	0.2
267.06717	0.6
279.02991	4.0
311.05634	81.5
312.05969	6.3
312.09610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0566
Annotation	Scillascillin
Peak:m/z	Relative Intensity
51.51892	0.4
51.81126	0.4
57.54482	0.4
58.22832	0.4
64.45313	0.4
65.98557	0.4
66.32490	0.4
66.46826	0.4
66.70637	0.4
79.95747	0.6
105.03461	1.7
115.01933	0.6
116.07176	2.9
117.03481	0.9
119.05039	3.9
120.05342	0.4
123.04525	1.0
132.02202	2.0
133.02968	85.9
134.03291	2.5
135.04553	0.5
139.55026	0.5
158.50591	0.4
167.05008	1.8
169.06560	0.8
175.04027	1.9
179.05086	0.8
183.01207	4.7
185.06035	0.5
191.03525	0.8
195.04530	6.7
196.05121	0.5
197.02759	1.0
197.06154	0.9
207.04517	1.8
208.05292	1.4
211.04041	1.5
213.05563	0.6
222.03188	0.6
223.04030	7.2
224.04793	27.2
225.05151	2.1
226.72462	0.5
235.03986	1.3
241.04974	0.7
251.03540	6.1
252.04280	4.0
253.04900	0.8
255.06580	0.8
267.06674	3.6
269.04370	0.5
279.02994	2.7
283.06198	1.0
285.07748	2.4
292.20444	0.5
311.05630	100.0
311.13141	12.1
312.06018	7.6
312.13629	0.8
312.21817	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	311.1139
Annotation	Neomajucin
Peak:m/z	Relative Intensity
55.01875	6.1
57.03456	13.4
57.41844	1.1
59.01385	29.1
65.17098	0.9
66.82669	1.0
68.99831	1.2
69.03469	4.5
71.01389	70.6
71.05033	4.8
71.94078	1.0
72.99297	5.8
73.02557	2.2
73.02953	22.4
75.00860	1.5
79.01899	1.2
79.95745	4.1
80.96526	2.3
81.03462	3.3
83.01398	6.9
83.05022	6.3
84.02227	1.0
85.02959	42.7
85.06600	1.2
87.00897	8.1
87.04533	2.3
89.02450	7.2
93.03484	3.6
95.01400	15.4
95.05035	5.8
95.31271	1.1
96.96030	2.8
97.02976	3.3
97.06632	3.5
99.00902	6.0
99.04527	3.6
101.02463	8.1
107.05061	4.4
107.08712	1.1
108.02213	2.9
109.02969	3.5
109.06604	8.2
111.00906	2.3
111.04556	5.0
111.08203	1.7
113.02467	52.1
113.06152	1.5
115.04034	2.0
117.03496	2.1
119.05052	2.2
121.02972	3.0
121.06632	4.7
122.03791	3.8
123.00882	1.2
123.04578	5.8
123.05402	1.0
123.08172	4.4
125.02469	3.5
125.06115	3.4
130.51518	1.2
133.06569	1.7
133.10286	1.9
134.03764	21.8
135.04559	7.7
135.08192	6.1
136.05331	1.3
137.06128	5.6
137.09752	4.5
139.03999	1.3
139.07690	1.5
147.04619	1.3
147.08104	2.3
149.06100	22.1
149.09726	2.0
151.07689	2.7
151.11313	4.4
152.04829	3.6
153.05510	1.7
153.09325	2.5
159.04416	1.7
159.08266	1.2
161.02496	2.3
161.04558	1.1
161.06078	2.3
161.09706	7.5
162.09261	2.3
163.03995	2.1
163.07635	2.8
163.11320	6.5
165.01935	1.5
165.04179	1.7
165.05513	1.2
165.09200	5.5
167.03561	3.0
167.07164	3.4
175.04053	1.3
175.07640	1.4
176.04933	1.5
177.05487	2.0
177.09265	2.4
177.12865	4.9
179.03555	5.0
179.07225	4.0
179.10796	13.0
179.14449	6.5
181.08742	1.9
185.06088	1.1
187.07648	1.6
187.11337	4.3
189.09178	2.3
193.08698	1.6
195.10220	2.6
195.14005	2.8
205.08727	3.9
205.12354	17.8
206.12737	1.3
207.10277	3.2
211.09793	1.2
221.11884	2.8
223.06131	2.1
223.09824	7.2
223.13414	21.4
224.13802	1.5
227.07050	1.5
231.10220	1.6
234.02301	1.1
239.07176	3.1
239.12909	2.6
249.07581	2.5
249.11372	13.7
267.06509	2.4
267.08871	5.2
267.12418	32.9
267.15799	1.9
268.12689	1.2
275.12845	1.0
283.06134	3.9
293.07425	1.2
293.10403	8.9
293.13623	2.1
294.10641	1.3
311.02127	2.9
311.07803	15.4
311.11423	100.0
311.15027	13.1
312.08368	2.7
312.11874	5.8
322.27283	1.1
324.91754	1.1
326.10651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1139
Annotation	Triandrin
Peak:m/z	Relative Intensity
54.75645	0.7
55.01888	4.7
57.03455	8.3
58.85662	0.7
59.01386	36.8
63.46598	0.6
63.73368	0.8
69.03469	2.3
71.01389	100.0
71.04998	0.8
72.01736	1.1
72.99329	3.5
73.02954	22.4
79.95716	0.7
80.96524	1.3
83.01392	9.8
83.05017	0.7
84.02174	2.3
85.02959	59.6
86.03301	1.5
87.00893	6.4
87.04608	0.7
89.02461	8.4
93.03466	0.8
95.01395	19.6
96.53683	0.6
96.96032	1.2
97.03000	1.2
99.00881	7.9
101.02453	11.9
108.02219	1.1
109.02959	1.2
109.06612	2.0
111.08149	0.7
112.01702	1.0
113.02459	77.3
114.02805	1.0
121.02952	2.6
121.06591	0.9
122.03759	5.6
123.08215	1.2
125.02469	0.8
134.03757	33.0
135.04532	2.8
135.08188	2.6
137.06104	3.7
137.09775	1.0
149.06104	32.5
149.09682	1.0
150.03244	0.9
151.04042	0.7
152.04794	3.8
153.01936	0.9
161.02496	1.7
161.04623	1.8
161.09799	0.8
163.11334	1.7
165.01912	1.4
167.03548	1.2
167.07220	3.8
171.04588	1.0
175.07794	0.8
176.04854	1.8
177.05621	0.8
177.12865	1.0
179.03520	1.4
179.07199	0.9
179.10829	2.2
179.14485	1.0
189.05614	1.4
196.14534	1.0
205.12384	3.5
223.07782	1.3
223.09697	1.4
223.13388	4.3
238.19322	1.2
249.11421	2.2
267.06653	1.2
267.12372	8.4
267.16031	1.0
293.10446	1.4
296.09067	1.4
311.02478	1.3
311.11478	39.9
311.15097	4.1
312.11832	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	311.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75645	0.7
55.01888	4.7
57.03455	8.3
58.85662	0.7
59.01386	36.8
63.46598	0.6
63.73368	0.8
69.03469	2.3
71.01389	100.0
71.04998	0.8
72.01736	1.1
72.99329	3.5
73.02954	22.4
79.95716	0.7
80.96524	1.3
83.01392	9.8
83.05017	0.7
84.02174	2.3
85.02959	59.6
86.03301	1.5
87.00893	6.4
87.04608	0.7
89.02461	8.4
93.03466	0.8
95.01395	19.6
96.53683	0.6
96.96032	1.2
97.03000	1.2
99.00881	7.9
101.02453	11.9
108.02219	1.1
109.02959	1.2
109.06612	2.0
111.08149	0.7
112.01702	1.0
113.02459	77.3
114.02805	1.0
121.02952	2.6
121.06591	0.9
122.03759	5.6
123.08215	1.2
125.02469	0.8
134.03757	33.0
135.04532	2.8
135.08188	2.6
137.06104	3.7
137.09775	1.0
149.06104	32.5
149.09682	1.0
150.03244	0.9
151.04042	0.7
152.04794	3.8
153.01936	0.9
161.02496	1.7
161.04623	1.8
161.09799	0.8
163.11334	1.7
165.01912	1.4
167.03548	1.2
167.07220	3.8
171.04588	1.0
175.07794	0.8
176.04854	1.8
177.05621	0.8
177.12865	1.0
179.03520	1.4
179.07199	0.9
179.10829	2.2
179.14485	1.0
189.05614	1.4
196.14534	1.0
205.12384	3.5
223.07782	1.3
223.09697	1.4
223.13388	4.3
238.19322	1.2
249.11421	2.2
267.06653	1.2
267.12372	8.4
267.16031	1.0
293.10446	1.4
296.09067	1.4
311.02478	1.3
311.11478	39.9
311.15097	4.1
312.11832	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	311.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71068	0.8
53.26817	0.7
56.92477	0.7
57.03447	0.9
58.73230	0.7
58.78521	0.7
59.01387	100.0
62.77510	0.7
67.51695	0.7
69.03457	0.8
69.36043	3.9
71.01391	6.8
73.02955	1.9
83.01382	1.8
85.02960	3.6
93.03472	1.7
93.69846	0.8
96.96039	1.2
98.21931	1.3
99.00930	1.7
101.02431	4.7
107.05027	0.7
113.02452	2.2
117.03495	2.2
117.92080	0.8
118.98094	1.3
119.05058	1.6
133.03018	0.9
135.04584	2.1
149.06082	1.1
157.77586	0.9
161.04581	3.7
173.06064	1.1
186.85014	0.9
213.05638	1.1
228.22931	0.8
238.32695	0.8
239.07089	0.8
241.08678	1.2
267.10263	0.9
269.10281	2.5
279.08713	2.3
281.09277	0.9
311.08893	1.5
311.12582	3.1
312.24420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1292
Annotation	Aceroside D
Peak:m/z	Relative Intensity
59.01387	1.4
68.99802	0.4
69.03487	0.6
78.70981	0.5
93.03470	6.7
95.01384	0.7
95.04994	0.7
96.96046	1.1
98.22710	0.7
106.04287	0.6
107.05042	0.8
107.08710	0.7
111.53899	0.5
116.80772	0.5
117.03463	4.2
119.05041	100.0
120.05370	3.9
121.02970	3.8
121.06543	0.5
123.04533	0.6
130.04199	0.6
133.02960	0.6
134.03699	0.7
135.04605	0.5
135.08162	2.4
137.06073	4.5
143.05055	0.8
145.02966	6.6
147.04565	1.1
147.08168	1.8
148.05244	0.8
149.06078	1.8
159.04527	1.2
161.06099	6.9
163.04025	0.9
163.07680	3.4
165.09225	1.0
171.04546	0.8
173.06053	1.5
174.76375	0.5
177.09277	2.9
187.07753	0.6
189.05556	0.9
191.07135	4.7
199.07712	2.5
205.08714	3.9
207.08133	0.7
220.08917	3.8
221.09613	1.3
222.10475	0.6
223.07588	0.7
225.05666	0.6
225.09283	1.0
235.07558	1.4
236.08418	1.9
237.09209	0.7
239.07100	1.6
240.07808	0.6
241.08733	5.4
249.09067	1.0
249.12816	4.0
250.10046	0.8
251.10738	2.0
252.07945	2.3
253.08707	8.1
254.09296	1.6
255.10165	0.6
263.07172	3.5
264.07901	6.5
265.08636	1.5
265.12274	4.2
267.06451	0.5
267.10251	2.9
267.13654	0.9
268.10815	0.7
269.11801	1.9
275.10898	2.6
277.08707	0.7
283.13348	7.1
284.13959	0.9
292.10934	0.7
293.11856	20.8
294.12146	1.7
311.05728	0.8
311.09317	3.1
311.12857	26.4
312.13220	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36000	1.1
59.01386	100.0
60.01719	1.7
61.98834	3.2
69.95065	2.4
71.01393	9.1
73.02931	3.1
78.95918	5.0
81.46886	1.0
83.01381	1.4
85.02959	5.5
87.00906	1.8
89.02454	3.9
91.86313	1.2
96.96968	1.4
99.00988	1.2
101.02442	9.4
111.02027	1.8
113.02451	3.6
114.05637	2.6
118.21417	1.0
126.90359	1.5
131.08281	1.6
134.04787	3.0
148.06244	1.0
150.05589	1.4
152.93655	3.0
157.82722	1.0
159.03029	1.8
161.04558	10.2
168.91458	5.4
206.52348	1.1
229.01431	1.2
248.67941	1.0
251.11369	16.7
310.91541	1.3
311.08243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97136	0.2
54.81187	0.2
61.98845	0.3
64.66555	0.2
68.99833	0.3
69.18758	0.5
69.19166	1.0
74.41250	0.2
74.94969	0.2
76.59477	0.2
81.73878	0.2
84.07683	0.3
84.08215	0.3
91.01903	0.4
92.02275	0.3
95.01414	0.3
96.55293	0.2
98.22649	0.4
138.01974	0.8
139.02379	0.3
149.06081	0.3
162.01994	0.4
163.00327	0.6
164.00844	0.3
171.04523	0.7
172.04842	0.5
179.01707	0.5
183.01257	0.6
195.16068	0.2
201.05548	2.3
202.06094	0.3
206.01128	0.3
207.01306	0.5
214.06445	1.7
215.07031	1.5
222.06450	0.7
227.07039	0.4
251.07083	0.3
253.08818	0.3
265.08609	0.3
266.05334	0.8
266.09436	0.5
267.06696	0.4
267.10138	0.3
268.06885	1.3
268.11639	0.3
279.10321	0.9
279.13736	0.3
281.11844	6.0
281.14853	0.4
282.12302	0.3
283.08395	0.5
293.11862	1.2
294.04584	0.3
294.12436	0.4
295.13446	4.2
296.14157	1.6
309.15002	0.8
311.07794	5.3
311.16553	100.0
311.22379	2.9
312.08414	0.5
312.16891	8.2
312.20609	0.4
315.12082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25432	0.2
59.50429	0.2
63.84048	0.2
69.32272	0.2
70.75486	0.4
72.76746	0.2
78.39160	0.2
79.95367	0.2
79.95776	0.9
83.63377	0.2
94.23297	0.2
96.75313	0.2
120.17562	0.2
133.06558	0.3
147.32814	0.2
170.00391	0.2
183.01208	3.4
184.01942	0.7
186.64488	0.2
197.02788	44.4
198.03543	9.7
199.03862	0.3
211.04419	2.2
212.05127	1.3
225.05945	0.5
230.02620	1.8
230.04666	0.4
244.04118	0.4
253.09021	0.4
267.10355	0.3
281.12076	0.6
293.21347	0.4
311.16895	100.0
312.17236	7.2
324.31372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45032	0.3
79.95719	1.9
80.31609	0.3
84.13905	0.3
86.22285	0.3
96.96011	1.1
98.95583	3.0
119.05045	1.4
164.95844	0.3
170.00455	1.8
183.01225	70.1
184.01790	3.8
197.02840	2.7
198.03572	1.3
212.05051	0.4
225.05940	1.1
239.07491	1.1
240.07648	0.4
311.16898	100.0
312.17236	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1869
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
55.56927	0.5
69.99471	0.9
69.99861	0.8
74.05544	0.4
97.06584	0.9
111.65538	0.4
113.09702	0.5
121.02972	1.3
122.03754	1.4
136.05315	1.4
153.12860	0.6
157.08752	0.9
167.14447	2.2
171.10364	0.6
183.01216	0.5
193.16118	0.8
203.11899	0.6
207.17558	0.6
223.20718	2.7
247.17307	0.5
249.18539	4.4
263.93057	0.5
267.19669	100.0
268.17197	0.5
268.20016	8.2
271.54608	0.4
275.16586	7.3
276.17020	0.8
293.17636	36.2
293.20953	1.9
294.17999	2.9
311.18768	29.9
311.22223	6.0
312.19174	2.1
312.22205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.202
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.07686	0.2
52.93225	0.2
61.59190	0.2
69.33787	1.0
79.95752	0.3
91.01916	0.2
95.73785	0.2
108.42345	0.2
109.38543	0.2
125.52953	0.2
133.06610	2.5
134.06966	0.2
138.01993	0.5
149.09732	100.0
150.10066	4.7
162.01852	0.2
162.40887	0.2
163.00359	0.4
164.00838	0.2
170.00488	0.2
171.04494	0.4
172.04890	0.4
183.01215	10.3
184.01884	1.0
206.01033	0.2
239.07411	0.3
261.37073	0.2
266.05466	0.6
267.06552	0.2
268.06888	0.5
283.08124	0.2
311.07767	2.7
311.16870	16.6
311.20224	53.3
312.08145	0.3
312.17200	1.7
312.20575	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68951	0.6
50.70458	0.7
54.23991	0.6
60.08117	0.8
68.11262	0.7
69.14944	3.4
71.05009	1.1
103.04075	0.7
104.31912	0.7
110.92410	0.7
125.64257	0.8
138.01950	0.9
139.11325	1.3
141.21495	0.6
154.09988	1.8
163.00391	0.9
172.04816	0.7
177.12852	2.9
183.01210	0.8
195.13942	4.4
222.06544	0.9
248.51230	0.8
249.22209	3.8
293.21249	84.3
294.21545	7.6
311.07709	5.4
311.22299	100.0
312.22665	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74683	1.4
57.03463	1.7
59.26140	1.4
60.52576	1.1
66.60152	1.4
69.27927	8.4
82.67799	1.4
83.05014	1.3
98.22689	2.8
121.10278	2.1
125.09702	3.6
127.11301	6.4
130.28412	1.4
133.64256	1.6
134.49176	1.3
137.09674	1.5
139.11304	18.3
153.59435	1.5
155.10825	4.3
171.10292	100.0
172.10670	2.8
183.10289	7.1
185.11871	25.0
201.11337	14.1
209.63185	1.6
237.80737	1.4
275.20209	8.9
293.21259	31.7
294.21484	2.3
311.22305	96.5
312.22726	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	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.94189	0.9
55.99109	0.9
57.03436	2.0
59.01370	1.1
62.51831	0.8
84.45562	0.9
121.10200	1.7
122.44398	0.9
125.09738	3.4
127.11296	7.6
137.09683	1.4
139.11295	12.5
155.10805	4.2
158.82188	1.2
165.09196	1.7
166.88405	0.9
171.10287	81.9
172.10658	2.1
183.10219	6.2
185.11864	11.1
197.11879	1.2
201.11334	14.8
211.13382	2.0
275.20135	6.5
293.21277	18.5
294.21472	1.7
300.68546	1.3
311.22311	100.0
312.22714	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03451	1.0
59.01386	0.6
69.53110	1.4
69.53510	0.8
74.72834	0.3
86.19683	0.4
90.03531	0.5
91.01922	0.6
95.01387	0.5
97.06613	0.5
112.08733	0.4
118.02962	0.6
123.08235	0.7
125.09731	3.0
137.09767	0.6
138.02008	1.2
139.02325	0.8
139.11345	2.1
141.09238	1.2
141.12886	1.4
143.10828	0.7
153.09245	0.8
155.10779	1.2
155.14447	2.0
156.73920	0.4
157.12346	0.9
162.01941	0.5
163.00365	0.8
163.02264	0.4
164.00726	0.6
165.00198	0.5
167.10794	2.4
167.14320	0.4
169.12462	0.5
171.04520	1.1
171.10269	1.3
172.04820	0.9
178.01375	0.4
183.01312	0.8
183.10251	0.7
185.11856	1.3
194.06958	0.5
200.10597	1.8
206.01024	0.6
207.01315	0.6
214.12207	0.6
222.06311	0.7
239.23859	0.5
241.63409	0.4
249.22314	1.6
265.21765	1.4
266.05353	0.7
267.06726	0.6
267.23328	1.6
268.06970	1.5
268.93369	0.3
275.20166	0.7
281.21649	0.4
283.08139	0.7
283.22763	0.6
293.21265	7.8
294.21552	0.8
311.07709	7.4
311.22314	100.0
312.08447	0.6
312.22632	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
61.15128	0.9
64.99365	1.0
71.04641	0.9
83.84741	1.0
97.06595	2.7
113.09728	5.3
121.10199	1.3
125.09732	2.9
139.11313	24.8
140.11620	1.2
149.09705	1.3
167.14467	1.8
171.10284	36.1
172.10680	1.5
185.11873	4.9
197.11836	1.7
201.11285	1.1
211.13426	28.4
212.13753	2.0
275.20282	2.0
293.21259	100.0
294.21625	8.3
311.22296	24.9
312.22662	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86303	0.5
56.22739	0.5
56.39259	0.5
57.03443	1.8
59.01387	1.2
69.98277	1.1
69.98639	1.1
74.33607	0.5
81.03465	1.3
83.05029	5.5
83.68018	0.5
85.06619	0.5
96.96005	1.2
97.06584	0.7
98.22524	0.8
98.95612	3.2
98.96446	0.7
99.08162	6.5
125.09728	3.4
127.11341	0.7
127.76791	0.5
139.11311	8.2
145.16898	0.5
145.43361	0.5
149.09752	0.8
166.98984	0.5
171.10289	20.2
172.10526	0.7
181.12299	1.3
185.11847	2.6
185.55792	0.6
190.13826	0.5
191.14436	0.9
193.12314	0.8
209.11732	0.9
209.15448	1.9
225.14980	5.6
242.35361	0.5
249.22174	0.7
293.21255	29.6
294.21542	2.5
311.02603	4.0
311.17154	3.4
311.22296	100.0
312.22650	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.18871	0.6
51.87923	0.5
53.57926	0.6
57.03439	1.6
59.01367	1.2
65.44854	0.8
69.60579	2.1
76.81319	0.6
81.03474	1.5
83.05038	6.6
96.37582	0.7
97.06609	0.7
99.08178	5.7
100.95753	0.7
123.08163	0.9
125.09718	3.6
139.11302	8.0
171.10294	25.3
172.10593	1.6
173.06030	0.8
181.12311	1.6
181.16023	0.7
185.11864	2.6
186.38785	0.6
191.14447	1.0
209.15482	3.2
211.13275	0.8
225.14967	6.5
249.22296	0.7
293.21255	29.4
294.21582	1.8
311.16507	2.8
311.22308	100.0
312.22699	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	312.088
Annotation	Melicopine
Peak:m/z	Relative Intensity
55.41588	0.6
65.00336	2.4
65.99853	0.6
69.52738	2.1
72.43913	0.6
78.67287	0.5
95.01395	1.3
98.02486	16.3
98.21890	0.6
110.02489	3.1
117.03494	1.4
122.02475	1.9
123.03255	5.3
124.00400	0.7
124.01668	1.3
134.02481	5.0
135.03288	6.8
136.00400	2.4
136.98810	5.2
138.01949	2.9
139.11269	1.3
140.03560	9.6
151.02786	6.4
152.01198	1.4
155.02206	0.7
157.79498	0.6
164.03569	1.0
164.98297	11.6
166.01465	3.3
167.91057	0.6
171.04594	1.3
171.10291	5.6
172.10582	1.9
173.06116	0.7
180.00659	1.6
183.04521	2.7
184.07693	0.7
185.02461	2.2
185.11877	1.0
192.03125	3.5
198.09206	0.9
199.07632	1.0
200.07230	1.4
201.11340	1.0
208.02477	1.0
211.04042	1.2
224.07149	0.9
225.05676	0.8
226.08809	4.3
228.06647	3.5
234.04010	1.2
237.07539	0.6
242.08252	48.3
243.08569	2.7
252.06648	1.3
255.03000	6.9
265.58432	0.8
268.09906	0.8
270.07724	62.4
271.08096	4.5
283.02499	38.7
293.21179	1.6
297.03802	0.8
298.04822	20.3
311.22394	3.4
312.08801	100.0
312.22623	4.3
313.06885	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	312.088
Annotation	Melicopine
Peak:m/z	Relative Intensity
52.93146	0.8
55.35353	0.8
55.41839	0.8
58.92647	0.8
62.62315	0.8
62.91915	0.6
65.00333	1.3
69.94854	1.7
69.95192	1.0
70.02998	1.2
73.25340	0.8
94.02979	1.2
98.02485	16.8
110.02479	3.5
111.65648	0.7
122.02494	2.4
123.03284	7.3
134.02467	4.8
135.03291	8.8
136.00386	1.2
136.98828	1.9
138.01991	3.6
140.03568	8.5
151.02773	6.6
152.01146	0.9
164.03499	1.2
164.98315	3.3
166.01492	3.4
179.02339	1.1
192.03024	5.1
200.07259	1.3
202.08856	0.9
208.02553	2.1
224.07220	1.0
226.08694	4.5
228.06613	4.4
234.04047	1.7
242.08249	56.7
243.08618	3.9
252.06622	1.4
255.03061	3.8
270.07727	65.1
271.08002	5.5
283.02509	22.8
298.04837	7.6
312.08801	100.0
313.07285	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	313.0354
Annotation	Desmoxyphyllin A
Peak:m/z	Relative Intensity
57.85793	0.3
63.99540	3.2
65.00334	1.4
68.01160	0.3
68.99815	2.3
79.99055	0.5
84.94339	0.3
89.00324	0.4
89.78414	0.3
92.99827	9.5
93.87907	0.3
97.06579	0.3
98.22668	1.0
99.00886	14.3
102.01668	0.2
106.00580	0.6
107.98685	0.3
108.86137	0.3
117.03477	32.2
118.03806	1.3
119.05034	0.5
123.00899	35.8
124.01219	1.2
130.08719	0.3
141.03488	0.6
142.04237	0.4
151.00392	0.9
154.04263	1.4
157.02969	0.9
158.71237	0.3
160.98840	0.3
161.02472	2.3
169.02985	0.9
177.47516	0.3
178.02715	0.3
180.99658	0.9
181.02937	0.5
182.03717	0.6
185.02452	16.6
186.02832	0.8
193.05084	0.8
194.99358	15.0
195.99768	0.4
197.02422	0.5
198.03242	1.1
209.02458	3.3
209.99876	0.3
217.05093	0.5
225.02182	0.8
226.02727	6.2
227.03114	0.4
253.01552	0.7
254.02020	0.5
257.04471	0.4
281.00937	13.3
282.01266	1.1
283.02423	0.4
300.68539	0.3
313.03568	100.0
314.03928	8.5
314.07578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0357
Annotation	Desmoxyphyllin A
Peak:m/z	Relative Intensity
50.31782	0.2
52.23101	0.2
56.02560	0.2
59.01387	0.3
63.99546	3.2
64.88700	0.2
65.00320	1.7
68.99826	2.3
69.44458	0.8
79.99037	0.5
89.00306	0.2
92.99830	10.2
94.00130	0.3
98.21906	0.2
99.00891	14.7
100.01215	0.4
117.03481	33.3
118.03806	1.5
119.05013	0.2
123.00900	37.8
124.01215	1.0
136.98906	0.3
141.03511	0.7
143.33070	0.2
145.02971	0.2
151.00383	0.9
154.04285	1.3
157.02968	1.0
160.01599	0.3
160.98846	0.4
161.02460	3.0
166.01814	0.2
169.02960	0.9
170.03725	0.5
182.03795	0.4
185.02466	15.6
186.02800	0.5
194.99377	12.8
195.99734	0.5
197.02475	0.4
198.03239	1.4
206.43124	0.2
209.02470	3.4
217.05003	0.3
225.01965	0.2
226.02719	5.9
227.03015	0.4
253.01404	0.8
254.01964	0.3
281.00937	12.3
282.01352	1.0
283.02557	0.3
313.03571	100.0
314.03903	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	9.0
65.55668	0.1
68.99825	0.5
69.07072	1.1
81.89434	0.1
92.99821	1.6
95.01376	0.3
96.99309	1.9
107.01432	0.4
108.02216	0.2
108.99325	1.0
110.00147	0.2
111.00894	0.6
117.03451	2.7
117.04269	0.2
119.05037	0.3
120.99326	1.4
122.00120	0.2
123.00900	1.1
124.01683	2.4
133.02960	2.2
135.00882	0.4
136.01654	0.3
136.98816	17.3
137.99156	0.4
139.00386	1.0
141.03455	0.3
143.05043	1.2
145.06650	0.2
149.02435	0.2
149.99588	0.5
151.00371	1.0
152.01172	3.9
153.01973	0.3
155.05048	0.3
157.02954	0.3
159.04526	0.4
161.02464	0.4
163.00395	0.6
164.98300	30.9
165.98662	1.0
166.99866	0.2
167.05048	1.0
169.02896	0.2
171.04532	0.4
173.05949	0.2
177.99045	0.8
178.99886	1.0
180.00647	5.5
181.01192	0.3
183.04520	7.5
184.04860	0.5
185.02443	5.0
185.04106	0.2
186.02719	0.3
187.04015	0.3
195.02997	0.2
195.04596	0.4
197.05960	0.2
199.03920	0.4
201.01984	0.2
205.01407	0.5
211.04013	4.1
212.04332	0.2
213.01935	0.6
215.03520	0.4
225.05576	0.2
226.02675	0.2
227.03500	1.9
239.03531	0.8
239.74931	0.2
242.02213	0.4
245.00954	0.2
251.03371	0.2
252.04262	0.4
255.02998	19.4
256.03394	1.3
269.04529	3.0
270.01852	0.2
270.05032	0.4
270.11356	0.2
271.02573	0.7
280.03760	0.3
281.04642	0.3
283.02487	100.0
284.02826	6.4
285.04092	0.2
297.04047	2.9
298.04828	46.4
299.01959	5.2
299.05197	3.6
302.17099	0.1
312.05814	0.2
313.07184	75.9
314.04248	1.5
314.07516	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Gnaphaliin
Peak:m/z	Relative Intensity
50.95925	0.3
56.57171	0.3
65.00325	6.7
68.99838	0.4
69.27786	1.6
79.01898	1.0
81.03474	0.5
86.51982	0.3
92.99818	1.7
96.98763	0.5
96.99299	2.0
107.01374	0.5
108.99313	0.5
109.02904	0.4
117.03453	3.9
119.05061	0.8
120.99319	1.5
121.03020	0.4
123.00887	1.0
124.01700	2.0
133.02962	0.9
135.00917	0.4
135.04544	0.9
136.98811	16.4
139.00404	0.9
141.03506	0.7
143.05032	1.4
145.06607	2.2
147.00903	0.5
149.99648	0.3
151.00441	1.8
152.01154	4.6
161.02466	0.7
164.98305	29.7
165.98680	1.1
167.05040	1.0
169.02965	0.5
171.04582	0.8
177.99046	0.4
178.99881	1.8
180.00626	4.6
183.04529	6.8
185.02444	7.4
199.03972	0.5
205.01453	0.4
211.04019	3.6
213.01929	0.6
213.05614	0.6
227.03551	2.0
239.03558	0.8
241.05121	0.6
255.02994	20.1
256.03354	1.2
269.01495	0.5
269.04526	2.7
270.05005	0.5
270.11371	0.9
281.00983	2.9
281.03955	0.6
282.01550	0.5
283.02490	100.0
284.02850	6.6
285.04050	0.6
297.04034	3.0
298.04822	47.0
299.01923	1.9
299.05206	3.2
313.03888	3.0
313.07178	77.0
314.04269	0.6
314.07455	5.9
314.10736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50327	0.8
60.94378	0.8
65.00327	7.4
70.05235	2.0
70.05579	1.1
75.60385	0.8
82.00607	3.0
95.01408	0.8
96.99320	1.7
98.22620	0.8
104.62002	0.7
110.00098	10.3
111.00879	1.3
115.42835	0.9
117.03492	1.6
120.99401	0.9
121.33147	0.9
124.01677	1.8
127.09106	0.8
136.98813	11.6
137.02423	2.5
137.99614	1.9
139.00365	2.5
147.23785	0.8
152.01221	1.4
163.00400	3.3
164.98288	18.0
165.99075	1.9
166.99866	1.0
183.04506	5.5
185.02483	3.9
195.04559	0.8
211.04082	4.2
239.03598	0.9
255.03001	11.7
256.03494	1.0
283.02499	64.7
284.02847	3.8
298.04837	100.0
299.05170	5.8
313.07211	47.4
314.07449	2.8
323.20374	0.9
332.88251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	7.5
68.99814	0.5
79.88372	0.1
84.21252	0.1
92.99821	1.3
95.01389	0.3
96.02190	0.3
96.99313	1.8
98.21790	0.3
107.01383	0.2
108.02168	0.2
108.99324	0.6
111.00903	0.3
112.54263	0.1
117.03457	2.2
119.05033	0.4
120.99326	1.2
122.00132	0.2
123.00874	0.9
124.01675	1.9
133.02954	0.2
135.00877	0.4
136.98816	17.6
137.99178	0.4
139.00397	0.9
141.03487	0.3
143.05040	1.4
149.99625	0.6
151.00371	0.9
152.01181	4.2
155.05043	0.3
159.04523	0.3
161.02426	0.4
163.00317	0.4
164.98305	29.5
165.98618	1.0
166.99875	0.3
167.05040	0.8
171.04507	0.3
177.83403	0.2
177.99042	0.6
178.99873	1.0
180.00652	4.8
181.01018	0.2
183.04530	6.7
184.04857	0.2
185.02454	4.7
186.02815	0.3
187.04010	0.3
192.00702	0.2
195.02974	0.3
195.04590	0.5
199.04085	0.2
205.01453	0.3
211.04015	4.2
212.04387	0.3
213.01956	0.5
215.03583	0.4
225.05594	0.2
227.03511	1.8
229.06419	0.1
239.03374	0.8
251.03485	0.2
252.04338	0.4
253.04948	0.1
255.03003	19.8
256.03418	1.1
268.03818	0.2
269.04550	3.0
270.04895	0.4
280.03677	0.2
281.04596	0.5
283.02496	100.0
284.02853	6.8
284.05328	0.1
297.04025	2.4
298.04834	42.3
299.01895	0.2
299.05136	2.7
313.07193	66.7
314.07526	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	4.4
65.99822	2.5
68.99789	1.2
69.15360	2.8
69.15769	1.3
70.98843	0.6
77.03972	5.2
79.01898	17.7
97.02952	6.5
98.22631	1.0
109.02980	1.4
117.03480	0.7
119.05032	1.0
120.53677	0.5
121.02968	16.1
122.03745	1.3
135.00786	0.7
136.98840	3.1
137.02452	2.7
139.03990	1.5
141.07065	1.0
141.58635	0.5
143.04987	0.6
145.06601	3.2
147.00957	0.6
147.04485	1.6
150.03233	3.2
151.00356	4.6
152.01146	1.1
155.08676	1.7
159.08128	1.4
163.00371	1.4
164.98294	5.9
165.01949	13.8
166.02254	0.6
169.06519	0.9
171.04567	5.2
172.05159	0.8
178.02673	3.5
178.54834	0.6
180.00682	1.2
181.06567	1.8
183.04507	1.2
183.08180	5.7
185.02420	1.1
191.03467	2.7
197.06114	0.7
197.09671	0.9
199.07697	3.1
201.09190	1.2
204.05704	0.6
207.08170	0.8
209.06097	0.8
211.04189	0.7
223.07642	0.9
225.05615	1.1
225.09253	7.1
226.05786	0.6
227.03671	0.7
227.07159	15.4
228.07431	0.7
241.08705	3.9
248.60034	0.6
253.05058	9.3
255.02988	3.5
267.06702	2.0
269.08200	100.0
270.08551	8.3
271.06152	2.0
281.04581	9.2
282.04630	1.0
283.02512	19.8
284.02835	1.4
295.06049	3.5
298.04819	10.7
299.05255	0.6
313.07199	73.5
313.14822	1.8
314.07535	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	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25105	0.4
59.86237	0.4
65.00325	9.7
70.95927	0.4
70.96263	0.6
72.19078	0.5
78.46973	0.5
92.99791	2.0
93.52397	0.4
96.99330	2.7
108.99283	0.9
117.03474	2.9
119.05037	0.5
120.99316	1.4
123.00861	0.8
124.01635	1.9
135.00906	0.6
136.98816	21.5
139.00392	1.3
143.04991	1.6
151.00369	1.1
152.01186	3.7
161.02469	0.6
164.98303	34.9
165.98595	1.1
167.05052	1.0
169.02982	0.4
178.99863	1.1
180.00636	4.7
183.04518	8.4
183.11836	0.4
185.02443	5.5
187.04021	0.7
211.04015	5.1
213.01959	0.8
215.03494	0.8
227.03560	2.5
232.48775	0.4
239.03461	0.9
255.03011	24.0
256.03384	0.8
269.04538	2.6
281.04727	0.7
283.02496	100.0
284.02820	6.2
297.04132	2.7
298.04837	50.4
299.05283	2.5
313.07193	82.1
314.07541	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
58.76952	0.3
62.38550	0.4
65.00327	7.0
65.00654	0.5
66.01104	0.4
68.99844	0.7
69.18916	0.7
69.19316	1.3
72.38468	0.3
75.31323	0.3
82.00610	1.8
92.99834	1.1
95.01408	0.7
96.02187	0.6
96.99329	1.3
102.82173	0.3
108.02219	0.4
108.99313	0.5
109.02952	0.4
110.00104	8.5
111.00887	0.6
117.03501	1.5
119.01357	0.4
120.99354	1.2
123.00921	0.8
124.00883	0.3
124.01671	2.0
133.02985	0.9
135.00851	0.4
136.98814	13.1
137.02440	1.2
137.99593	1.3
139.00406	2.4
143.05048	0.9
149.08714	0.3
151.00381	0.9
152.01144	1.3
155.05058	0.7
161.02451	0.6
163.00427	2.9
164.98299	22.3
165.99039	2.3
166.99854	0.7
167.05048	0.9
177.99075	0.4
178.99925	1.0
180.00650	1.5
183.04527	6.7
185.02446	4.8
185.05983	0.4
186.54953	0.4
195.04482	0.5
199.04018	0.6
201.05685	0.4
205.01563	0.6
211.04030	4.3
213.01942	0.6
214.06288	0.5
215.03630	0.6
227.03496	1.9
239.03539	1.1
247.66754	0.4
253.04962	0.4
255.02997	15.3
256.03290	0.6
267.02954	0.4
269.04581	1.3
281.04495	0.7
283.02499	83.7
284.02783	5.1
297.03958	1.2
298.04834	100.0
299.05188	7.8
313.07199	64.6
314.07574	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38507	0.1
63.87707	0.1
65.00330	6.8
66.22903	0.2
67.54332	0.1
68.99815	0.5
69.93778	0.4
92.99831	1.3
95.01371	0.2
95.19025	0.1
96.02142	0.2
96.04447	0.2
96.99323	1.6
98.22579	0.3
108.02180	0.2
108.99306	0.5
111.00881	0.3
117.03438	1.8
119.04999	0.2
120.99333	1.4
121.02977	0.2
123.00911	0.9
124.01675	1.7
133.02953	0.3
135.00897	0.4
136.01689	0.2
136.98819	14.2
137.99152	0.4
139.00375	0.6
141.03534	0.4
143.05038	1.2
149.99556	0.7
151.00371	1.1
152.01175	3.0
155.05019	0.4
159.04514	0.4
161.02467	0.3
163.00362	0.3
164.98305	28.0
165.98636	0.6
166.99843	0.1
167.05008	0.7
169.02887	0.3
171.04532	0.3
177.99071	0.7
178.99924	0.8
180.00658	5.0
181.00966	0.2
183.04533	6.4
184.04842	0.2
185.02463	4.4
186.02924	0.2
187.03951	0.3
192.52515	0.2
195.03000	0.3
195.04573	0.2
205.01480	0.4
210.49773	0.2
211.04012	3.7
212.04353	0.3
213.01917	0.4
215.03554	0.4
225.05539	0.2
227.03569	1.7
239.03343	0.8
252.04291	0.6
255.03008	18.2
256.03336	1.1
269.04538	2.8
280.03729	0.2
281.04568	0.6
283.02499	100.0
284.02841	6.6
284.05429	0.1
296.03302	0.2
297.04080	2.9
298.04837	48.7
299.02032	0.4
299.05136	3.5
313.07202	80.9
314.07510	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54414	0.4
51.62277	0.4
51.66257	0.3
60.62284	0.4
63.02400	0.4
65.00346	1.6
67.63543	0.4
69.47929	0.9
69.48328	1.3
91.01882	0.5
93.03480	0.4
98.21872	0.9
107.01387	0.6
117.03468	12.7
117.04278	0.7
119.05108	1.0
121.17281	0.4
122.00057	0.4
123.00836	0.6
135.00874	3.8
136.98834	1.7
143.05052	0.8
149.02493	0.6
149.99576	0.6
151.00401	2.1
155.47684	0.4
159.04567	1.3
163.00385	15.6
163.61909	0.4
164.00795	0.7
164.98300	5.2
165.99113	0.6
167.04988	0.5
177.02037	0.4
177.99043	0.5
178.99863	1.4
183.04539	4.7
185.02414	1.3
187.04034	0.7
211.04051	1.9
212.91107	0.4
214.20290	0.5
225.05551	0.4
227.03514	6.5
239.03490	0.5
255.03020	17.3
256.03336	1.2
256.17923	0.5
258.40118	0.4
267.02917	0.5
269.04538	4.7
269.15472	1.0
270.01779	0.7
270.05090	0.4
281.04742	0.6
283.02502	100.0
284.02878	5.7
285.04114	0.5
297.04044	13.4
298.01654	1.3
298.04831	45.5
299.05206	3.7
313.07193	70.5
314.07498	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	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39277	0.3
65.00333	2.1
70.72998	0.3
71.43114	0.6
74.49992	0.4
81.03477	0.4
91.01912	0.6
92.99847	0.7
95.01389	0.5
110.00086	2.0
116.14272	0.4
117.03465	11.6
117.04263	0.6
119.01434	1.6
119.05061	0.4
135.00908	4.5
135.04637	0.3
136.98840	1.2
137.02481	1.5
143.05034	1.0
159.04573	1.3
161.02383	0.5
163.00381	18.7
164.00795	0.7
164.98294	4.1
165.99123	2.0
167.05049	0.9
171.04486	0.5
183.04573	4.8
185.02432	1.3
187.03998	0.6
195.04491	0.9
199.04057	1.3
203.38095	0.4
211.04048	3.7
213.02013	1.0
227.03537	6.6
239.03552	1.4
254.05966	0.4
255.03021	18.8
256.03415	1.1
264.49286	0.4
283.02509	89.7
284.02838	6.4
294.21594	0.7
298.04843	100.0
299.01959	1.0
299.05179	8.3
307.31628	0.4
312.22708	2.3
313.07187	41.7
313.23459	1.2
314.07507	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	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24899	0.5
65.00340	2.0
65.33199	0.6
69.45515	2.8
79.45440	0.7
79.95786	0.7
91.01900	0.7
98.22648	1.0
117.03453	12.9
119.05014	1.9
121.02979	1.3
123.00874	1.1
133.02934	1.0
134.03802	0.7
135.00958	4.0
135.04535	57.7
136.04861	1.5
136.98840	1.8
151.00403	2.0
159.04480	0.8
161.02486	1.1
163.00377	16.0
164.00758	0.8
164.98312	5.2
178.99852	1.5
183.01212	3.2
183.04512	4.6
185.02431	1.6
187.04063	0.7
195.04474	0.6
197.02649	0.8
211.04018	2.6
215.03540	0.6
226.02936	0.6
227.03546	6.6
239.03493	0.7
255.03012	23.9
256.03345	1.9
267.03003	0.9
269.04553	10.9
270.01688	1.3
271.01987	0.6
281.04645	0.8
283.02496	100.0
284.02896	7.4
285.03882	0.8
295.02719	1.0
295.06091	4.4
297.04050	24.3
298.01254	1.9
298.04807	46.3
299.05069	2.8
313.07184	90.9
313.14755	7.2
313.17932	1.9
314.07501	6.9
314.15335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
60.31826	0.5
65.00327	6.9
68.99837	0.7
69.14299	4.1
80.60967	0.6
87.77804	0.5
92.99841	1.5
96.99345	1.3
98.22645	1.1
98.37810	0.6
110.00123	1.2
117.03502	1.7
120.99316	1.0
123.00880	0.8
124.01682	1.4
129.11345	0.5
135.44554	0.6
136.98808	14.8
139.00417	1.0
143.05020	1.0
151.00380	1.4
152.01160	3.8
161.02472	0.9
163.00497	1.0
164.98300	26.1
178.99849	1.0
180.00659	4.0
183.04491	6.1
185.02451	4.4
195.04581	0.8
201.27603	0.5
211.03998	3.4
227.03539	1.5
239.03456	1.5
241.56419	0.7
255.03000	19.5
256.03342	1.1
269.04568	3.2
270.05023	0.9
283.02499	100.0
284.02786	6.1
291.92059	0.7
297.04135	2.6
298.04834	53.6
299.05194	3.7
313.07190	81.5
314.07498	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07492	0.3
58.66523	0.3
65.00330	6.6
68.99803	0.5
92.99822	1.1
96.99323	2.0
102.77448	0.2
107.01365	0.4
108.99312	0.9
110.00110	0.9
117.03461	2.7
119.04964	0.4
120.99342	1.5
123.00884	0.9
124.01669	2.1
127.52711	0.3
133.02946	1.6
135.00890	0.4
136.01709	0.3
136.98817	14.9
137.99139	0.5
139.00366	0.6
141.03459	0.3
143.05038	1.4
149.99603	0.6
151.00381	0.7
152.01160	3.6
155.05072	0.6
157.02933	0.3
161.02455	1.2
163.00397	0.7
164.98306	29.9
165.98730	0.8
167.05008	0.8
169.02925	0.4
177.99066	0.5
178.99864	0.8
180.00639	4.5
183.04536	6.6
185.02460	4.6
187.03976	0.4
195.04497	0.4
205.01622	0.4
211.04057	3.8
213.01912	0.7
227.03514	1.9
239.03513	1.1
242.02341	0.4
254.02176	0.3
255.03014	18.9
256.03381	1.2
269.04517	3.1
269.07227	0.5
270.04904	0.3
279.03250	0.3
281.04541	0.4
283.02509	100.0
284.02856	6.9
297.04001	2.7
298.04846	53.6
299.01941	2.3
299.05246	3.2
301.41882	0.3
313.07202	78.9
314.04233	0.8
314.07480	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	313.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.50602	1.0
61.41470	0.9
70.79850	1.0
71.01385	7.0
72.99335	1.2
73.02930	1.4
78.95911	11.8
85.02939	2.3
89.02450	7.7
91.64761	0.9
92.05047	2.5
92.47766	1.1
93.66720	0.9
95.01399	1.1
101.02476	3.2
108.02171	2.7
109.02958	1.9
113.02458	3.4
114.05582	3.2
119.03506	3.5
130.08701	1.4
136.04065	4.9
139.17824	0.9
149.25551	0.9
152.01158	2.4
152.03471	1.3
153.01947	9.1
161.04604	1.7
179.05690	1.3
193.03618	1.3
231.13387	0.9
246.83549	1.0
249.07033	1.0
253.07439	2.3
283.02527	3.4
298.04776	1.4
313.03275	1.8
313.07120	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11330	0.4
58.02976	0.4
59.01381	8.5
61.98836	12.6
64.51481	0.4
67.03022	0.5
71.01386	5.0
72.00893	0.9
72.99323	3.8
73.02945	1.4
74.02473	2.5
78.95915	3.7
82.02991	1.5
84.04556	4.6
85.02955	2.1
87.00877	3.6
89.02455	4.4
92.93670	0.4
95.01338	0.3
97.04082	1.0
98.02467	0.9
99.00858	0.6
99.05630	0.7
100.04050	0.6
101.02456	2.8
101.07224	1.9
102.05624	1.3
103.00381	0.6
104.03548	0.6
107.02518	0.4
109.04081	8.2
113.02465	3.2
114.05640	0.4
116.97261	0.9
117.01961	0.9
119.03517	1.3
119.94703	1.2
125.03582	3.4
126.98891	0.5
127.00168	0.7
127.05147	23.4
128.03552	12.2
128.05499	0.8
129.01953	1.0
129.03914	1.6
131.03531	0.7
133.05084	0.6
139.00163	2.0
142.03859	0.7
143.03519	0.6
145.06204	100.0
146.04649	3.5
146.06535	3.0
149.04506	0.4
151.06142	1.4
153.01926	0.7
154.97610	0.5
162.94012	0.5
167.04382	1.2
168.01518	1.2
168.02832	1.1
172.99448	0.6
177.03909	0.4
179.05649	0.9
184.00177	1.0
188.97229	0.4
193.03555	4.6
193.05057	0.6
209.94221	0.6
213.00124	0.7
215.00534	0.5
258.71277	0.4
279.04697	1.4
283.02805	0.5
295.00241	0.4
297.05560	0.3
312.89001	0.8
313.11386	8.7
314.08670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1448
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
65.00331	0.6
73.11391	0.4
83.05037	0.6
84.02255	0.5
93.03474	0.9
98.21807	0.9
104.02710	0.7
116.90182	0.4
117.03489	1.2
118.04253	1.2
132.02164	1.5
133.02927	0.8
145.02960	1.6
155.08659	0.7
161.02469	1.7
162.03183	1.4
163.00423	1.0
171.08208	0.5
171.10349	0.5
172.08908	0.7
175.04051	0.9
181.06613	0.9
185.06087	1.9
189.01965	3.3
190.02728	4.1
193.05054	0.5
197.06177	0.5
198.06833	2.1
199.07660	30.7
200.08049	2.0
201.01967	0.8
201.05750	0.6
203.03500	3.4
214.02808	0.7
219.02898	2.5
222.01639	1.0
225.05582	4.2
226.06239	1.2
227.03702	0.5
227.07164	7.4
227.09256	0.7
229.05069	11.3
230.05710	0.9
243.06633	31.2
244.07370	9.9
245.07759	0.5
255.03075	1.0
269.01007	0.5
270.01797	3.1
283.02524	5.1
285.04031	1.4
285.15125	0.5
298.01239	2.0
298.04855	3.5
313.03604	1.7
313.07083	4.2
313.14484	100.0
313.23911	5.8
314.04138	0.5
314.14847	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	314.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18776	0.5
51.39046	0.5
52.26257	0.6
56.02501	0.6
63.01146	2.3
64.01907	0.8
65.00319	1.3
65.99853	100.0
67.00206	0.7
68.99824	4.1
70.47325	0.9
70.47675	0.9
72.73886	0.6
75.00871	2.2
79.01895	1.0
79.59668	0.6
89.99849	4.4
90.98808	0.8
92.01446	1.3
98.02493	10.0
99.00878	4.4
101.03987	0.7
109.98530	0.7
116.41741	0.6
121.02995	0.9
122.02493	8.5
128.05095	1.1
128.87746	0.7
130.63922	0.7
131.05063	0.9
131.14891	0.6
133.06604	4.2
133.98889	1.5
136.98839	1.1
137.99080	0.8
143.05104	0.7
145.06680	0.8
152.05214	0.7
161.06126	1.7
164.03508	1.1
164.98363	0.9
165.02026	1.1
166.01379	0.9
166.06673	0.7
171.04504	6.3
172.04916	0.9
177.97856	3.4
194.06158	1.2
195.04547	0.9
196.04129	1.5
197.99167	0.6
203.07092	6.1
228.06752	1.4
238.05161	1.1
254.05450	0.9
256.03067	0.7
269.08115	1.1
270.07748	38.7
271.08139	1.5
272.06583	0.8
282.04272	3.6
283.02298	0.7
284.02832	4.3
296.06354	0.7
297.00598	1.3
299.05219	2.5
300.02618	1.4
314.06937	19.9
315.04803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1037
Annotation	Hippeastrine
Peak:m/z	Relative Intensity
65.00335	10.7
69.25394	5.7
69.25810	3.2
81.03465	59.0
81.03953	2.8
82.02995	8.1
87.01642	1.4
93.38094	1.4
94.02980	1.9
95.04993	2.8
96.04565	2.0
98.22643	2.5
99.84051	1.4
106.04218	2.7
117.03478	1.9
119.05036	1.8
121.06612	15.3
122.06117	6.5
123.04533	3.2
124.04059	33.9
130.04233	5.9
132.02208	1.4
133.03023	3.6
136.98808	13.0
141.03436	3.6
143.05055	5.2
145.06601	100.0
146.06107	5.8
149.02495	1.6
164.07213	5.8
169.02959	3.7
169.06589	3.1
171.04512	4.0
172.05319	8.4
173.02504	1.9
183.04424	2.4
185.09688	3.5
187.04039	1.9
187.07648	31.3
188.07120	4.2
191.67114	1.7
197.02553	1.7
199.04018	3.6
201.01961	3.0
209.09692	2.1
211.07648	6.7
225.02101	2.5
227.10785	5.6
228.10344	2.3
231.06413	1.5
269.00903	8.4
270.11386	30.0
271.11966	2.2
284.02783	2.1
297.00433	25.0
300.02835	2.1
314.06912	3.2
314.10376	65.1
315.10690	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	314.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96685	1.3
59.01390	10.1
59.14687	1.5
63.07708	1.5
66.29214	1.4
69.57400	1.4
71.01392	5.1
71.05042	2.2
71.84994	1.3
72.04559	3.3
72.56514	1.4
74.02478	2.0
82.02984	6.1
82.06662	2.1
83.01395	8.8
88.04051	44.0
89.02449	3.2
95.05041	4.1
97.06588	14.6
98.02484	13.9
99.08173	1.8
101.02440	4.2
109.02960	1.7
110.06146	9.1
112.04056	1.9
113.02477	1.5
114.05619	100.0
114.71677	1.5
115.05987	2.1
115.47258	1.5
116.07185	15.6
117.03459	1.9
118.98119	8.7
119.05037	4.3
119.82378	1.7
120.99654	2.6
124.00752	2.6
125.02483	1.8
126.05618	5.1
129.10347	2.4
130.08742	6.2
133.02946	2.4
135.04533	6.8
139.08818	3.8
140.07184	5.1
143.11938	3.6
150.09273	5.0
153.01950	6.0
154.05110	6.3
157.13493	4.1
164.10838	1.6
168.10318	26.7
169.09808	19.6
171.15004	4.3
179.62863	1.5
180.13982	4.5
186.11372	77.5
187.03957	2.2
187.11612	3.8
190.12367	1.7
195.15079	1.4
196.09785	2.4
197.12923	1.9
199.10896	20.6
200.06944	1.7
206.11815	1.7
208.13449	5.4
224.12936	1.6
225.16199	6.7
234.11270	1.6
250.10876	6.4
252.12450	16.5
268.11954	2.4
270.13452	41.8
270.21823	3.5
300.02792	4.0
314.12473	97.6
314.17157	19.2
314.20886	33.4
315.10641	2.7
315.12476	5.7
315.15857	5.8
315.20987	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	314.9805
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93726	2.6
69.32565	12.5
76.32660	2.5
109.38685	2.5
113.77835	2.8
121.30227	2.4
123.04539	84.1
128.36438	2.6
132.23666	3.0
136.63327	2.4
151.20236	2.6
153.05591	100.0
168.16272	2.4
181.94383	2.7
181.98877	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
65.00331	45.6
67.01878	1.0
68.99818	1.9
69.15538	0.8
71.01385	2.4
74.86490	0.8
79.05539	0.7
80.96529	1.8
81.03448	1.0
85.02964	0.9
89.02435	2.1
92.99819	2.3
93.03478	1.2
95.01403	1.7
95.04989	1.0
96.14774	0.7
97.02961	0.8
99.00924	0.9
101.02402	1.8
104.62962	0.9
108.99277	1.7
109.02960	1.0
110.00119	4.1
111.00882	2.5
112.98820	18.5
113.03980	2.0
117.03490	2.1
119.05035	3.3
121.02952	1.5
121.06599	1.0
125.03993	2.2
128.07176	1.3
129.03514	1.8
131.01338	2.0
131.05060	1.9
132.02187	1.9
133.02968	16.2
135.04517	5.1
136.00395	1.2
136.98816	43.5
137.99564	1.3
139.00385	2.1
139.05522	1.0
141.03476	12.4
143.05020	3.7
145.02969	3.7
145.06595	3.0
147.00900	1.6
147.04539	5.6
149.02423	3.4
151.00424	0.8
153.03458	2.2
155.05048	3.2
156.00677	1.7
157.02980	4.0
158.03697	1.4
159.04512	3.2
161.02443	3.4
161.44174	0.8
164.98267	2.6
165.99066	3.1
169.02965	12.6
171.04530	14.2
172.04968	1.1
173.02431	7.6
174.07730	1.9
175.03973	1.1
177.01927	1.2
178.99873	1.0
181.02988	3.8
182.03731	7.0
183.04524	7.6
184.00146	7.4
184.01563	1.3
185.02429	6.4
187.04025	13.6
188.04388	1.0
197.02449	8.4
198.03188	3.6
199.04031	13.5
200.01216	1.0
201.01987	8.7
210.03206	1.3
211.04010	2.8
212.04659	0.9
213.02020	3.9
215.03506	5.6
225.01964	7.9
226.02692	4.0
227.03583	5.7
227.07153	2.0
228.04152	1.1
229.01440	1.9
233.00838	2.2
240.06598	2.0
241.01440	1.3
243.03017	6.9
256.03671	1.0
259.06039	0.9
269.00934	32.2
270.01144	2.3
271.02509	3.4
271.05899	1.1
272.02722	1.1
283.02533	5.6
284.02832	2.0
285.03073	3.3
287.02219	1.9
297.00433	100.0
298.00845	9.0
300.02740	7.5
300.05624	1.6
315.01422	10.1
315.05051	10.9
315.08072	2.3
315.10910	3.1
316.02097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.1
59.01373	9.4
65.00327	52.5
70.06346	7.3
73.68552	2.5
83.01431	3.1
91.01894	4.2
92.99796	2.9
93.03468	5.8
99.00901	3.0
100.27406	2.6
103.01923	3.8
105.03445	3.3
111.00916	6.3
117.03471	7.7
119.04965	6.3
121.02921	3.7
123.00864	4.2
123.04553	2.8
126.65987	2.8
129.03471	4.8
130.08736	9.1
131.05045	2.7
133.02971	87.7
135.00920	6.3
135.04506	5.7
136.98820	42.3
139.00406	13.2
141.03467	6.8
143.05081	14.5
145.02969	15.6
146.06036	2.5
147.04623	3.6
149.02441	14.9
153.02010	4.1
155.04958	3.6
157.02983	3.8
159.04543	17.2
163.04030	4.5
164.98244	4.0
168.01549	2.7
169.03006	3.5
171.04546	15.7
173.02470	19.6
175.04048	4.6
178.99927	3.9
185.02408	8.0
187.04099	16.0
191.03601	2.5
194.99341	5.1
197.02466	17.5
198.03227	4.8
199.04047	23.1
201.01927	50.4
213.02042	6.1
215.03468	24.5
227.03554	6.8
241.01427	57.5
242.01973	5.8
243.02994	44.9
253.10809	3.7
259.02496	3.3
269.00949	87.7
270.01263	3.7
271.02493	48.6
283.02435	5.9
287.01935	5.3
297.00433	100.0
298.00684	11.2
300.02759	19.4
314.20706	4.9
315.01395	38.4
315.04828	16.5
315.13803	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	315.0508
Annotation	Herbacetin 4'-methyl ether
Peak:m/z	Relative Intensity
53.03811	0.6
65.00329	27.9
66.00652	0.8
68.99834	1.5
71.41058	0.9
72.14361	0.6
83.05013	0.6
95.01411	3.6
96.95991	0.8
97.02921	1.0
99.00906	1.8
110.00146	1.4
111.00906	2.5
117.03442	0.7
119.05032	2.3
120.17832	0.6
121.02962	4.5
122.00185	1.0
123.00932	3.7
125.02439	10.0
127.00385	0.9
133.03043	0.7
135.00917	0.7
136.98817	6.8
139.00395	22.3
141.03517	0.7
142.04245	1.0
143.05037	18.4
144.05403	0.9
145.02969	5.4
149.99585	3.9
151.00391	2.4
159.04547	0.8
164.98309	4.7
166.99872	100.0
167.05035	2.5
168.00179	3.5
169.01466	5.7
169.02817	1.2
171.04510	2.1
177.99118	1.0
183.04495	1.6
186.57103	0.7
187.04041	11.2
194.99344	3.3
199.03963	1.8
200.04846	3.3
211.04005	17.4
212.04427	0.8
215.03554	0.7
223.49774	0.7
226.02731	0.9
227.03558	4.1
228.04245	3.0
229.05006	7.0
239.03516	7.0
240.03722	0.7
243.03012	1.0
243.06769	0.8
244.03519	1.1
255.02988	13.7
269.00735	1.6
271.06165	2.2
272.03290	25.3
273.03653	1.3
283.02524	3.4
285.04077	1.0
287.05475	1.3
297.00552	3.3
300.02753	5.4
304.67596	0.7
315.01816	2.1
315.05115	61.5
316.05435	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	315.051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00465	1.9
67.30190	0.5
68.99977	2.0
69.45142	2.3
79.99202	2.2
80.99938	0.9
90.45486	0.5
91.05745	0.5
92.80950	0.5
92.99966	0.6
96.98819	1.0
96.99499	6.5
98.00246	0.8
109.99471	0.9
110.00282	9.8
111.01046	1.6
112.93850	0.5
112.99024	1.7
117.03675	1.9
119.05225	1.5
120.99422	0.6
123.01096	0.6
123.98182	1.2
124.98996	11.8
125.99786	3.5
133.03079	1.1
136.99004	1.6
137.99611	6.8
139.00389	2.4
142.74207	0.5
143.05220	1.5
145.03030	1.1
151.00592	1.8
151.62845	0.5
151.97546	3.5
152.98325	8.3
153.99123	5.5
155.05153	1.1
159.04671	1.2
164.98503	2.3
165.99089	7.6
166.99922	2.5
171.04672	1.8
171.10437	0.7
176.98409	0.9
179.03575	0.5
180.97821	17.6
181.98590	3.0
183.04553	0.7
187.04036	12.8
188.04671	0.7
193.98582	8.5
194.99326	4.2
199.04181	1.6
200.04881	1.4
201.02089	0.6
211.04195	1.3
214.02794	1.0
215.03532	2.6
216.04384	2.9
226.02794	0.8
227.03558	1.2
243.02982	2.9
244.03833	3.0
255.03078	1.6
271.02530	2.5
272.03253	4.2
283.02493	5.2
287.02103	2.2
299.01968	1.6
300.02774	100.0
301.03162	7.4
315.01685	2.3
315.05103	42.2
316.05383	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	315.051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	4.1
66.01101	0.5
67.01902	0.2
68.99822	0.4
69.09867	0.2
72.99304	0.4
81.03468	0.3
82.00603	6.8
83.01392	0.4
91.05551	0.2
92.99806	0.2
94.00600	0.4
95.01398	0.5
96.99316	0.4
107.01421	0.7
107.05056	0.8
108.02177	1.0
108.99323	0.2
110.00101	42.0
111.00905	9.1
112.01269	0.2
112.98817	0.5
117.03448	0.3
119.01393	0.1
120.02181	0.4
120.68770	0.2
120.99297	0.2
121.02979	0.5
121.06610	0.3
122.00109	0.9
123.00908	0.8
124.01669	1.3
125.02451	1.0
125.99648	0.3
130.04262	0.2
132.02197	1.1
133.02962	0.9
134.00111	0.2
134.03748	9.5
135.00891	0.4
135.04546	9.1
136.04855	0.3
136.98802	2.1
137.02441	0.4
137.98045	0.2
137.99599	11.7
139.00385	12.7
140.00737	0.4
141.03445	0.2
141.99094	0.3
143.05034	0.3
145.02957	0.4
146.03725	0.2
147.00871	0.2
148.01666	0.6
149.02446	0.6
149.99588	0.3
151.00348	1.7
153.01949	7.1
154.02309	0.3
155.05055	0.2
156.05829	0.2
157.02951	0.4
158.03737	1.2
159.04518	0.4
160.01674	0.5
161.02484	0.9
163.00407	1.0
164.01151	1.4
164.98303	1.9
165.01941	0.5
165.99078	35.7
166.99469	1.1
167.04955	0.4
169.03021	0.4
171.04497	0.5
172.05290	0.3
173.02509	0.8
173.06143	0.2
174.03206	0.4
175.04030	0.2
176.01218	0.2
176.04756	0.2
177.01901	0.3
177.99106	0.2
178.99872	1.5
180.00285	0.1
181.01428	3.6
182.03700	0.4
183.04515	0.8
184.05298	0.6
185.02467	0.8
186.03212	1.0
187.04033	1.0
188.04790	0.4
189.01936	0.3
190.99867	0.9
192.00645	1.7
193.01332	0.7
195.04471	0.3
197.02458	0.2
198.03194	0.5
199.02396	0.2
199.03999	1.8
200.04787	1.2
201.01909	1.7
202.02690	0.2
203.03525	0.5
204.04201	0.3
207.02908	0.2
210.03105	0.8
211.04027	1.6
212.04820	0.8
213.01920	1.0
214.02765	0.8
215.03465	0.5
216.04257	0.7
226.02660	0.4
227.03491	2.4
227.10771	0.3
228.04268	2.1
228.90677	0.2
229.01505	0.6
230.02084	0.8
231.02892	0.2
232.03801	0.3
238.02742	0.7
239.03442	1.3
241.01285	0.2
243.02980	2.0
244.03596	0.3
254.02176	0.5
255.02998	1.7
256.03729	2.5
257.00912	0.5
257.03769	0.2
258.01660	0.5
269.01004	0.4
271.02689	0.9
271.05994	0.9
272.03229	0.6
273.03900	0.3
282.01721	0.9
283.02481	1.3
297.00372	1.1
297.04034	0.5
299.01953	0.6
300.02753	80.1
301.03085	5.7
315.05103	100.0
316.05417	8.4
316.09164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11254	0.5
50.93251	0.5
65.00331	15.3
65.00652	0.8
68.99758	0.5
69.06039	3.7
71.50587	0.5
73.03810	0.6
77.27496	0.5
108.02136	1.2
110.00048	1.9
111.00832	1.0
118.42635	0.4
133.02956	3.6
134.03769	2.8
136.01643	0.5
136.97841	1.1
136.98817	17.2
139.00346	1.2
149.99548	1.3
153.02252	0.5
158.03687	0.9
164.01163	1.3
165.99028	2.0
166.99814	0.6
172.05305	1.9
173.02379	0.8
174.03165	2.1
175.03955	1.2
176.56670	0.6
183.04555	0.5
187.03935	0.6
188.04750	1.7
199.04025	3.4
200.04703	2.2
201.01933	5.5
202.02707	2.3
213.01964	1.1
214.02707	0.6
215.03539	1.2
216.04280	3.1
227.03569	3.6
228.04338	4.3
230.02223	1.4
239.03641	0.8
243.03021	2.7
244.03831	0.9
254.01889	0.8
255.02994	1.4
255.19240	0.5
271.02600	1.2
272.03268	1.5
283.02615	0.7
285.05893	0.6
299.01932	3.0
300.02786	100.0
301.03168	5.4
315.05151	49.3
316.05496	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	315.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01374	2.5
63.96303	0.4
65.00329	6.1
67.95366	0.4
68.99825	9.3
69.15919	3.1
83.01390	0.9
85.02949	0.4
93.03466	0.5
98.21957	0.9
99.00915	0.5
107.01400	3.4
110.00108	0.8
111.00897	0.5
111.08170	0.6
117.03481	7.7
119.05042	18.5
120.05405	0.8
133.02983	4.0
134.03735	0.6
135.04529	1.6
136.98834	3.9
137.99611	0.8
139.00333	0.7
141.03467	0.7
143.05055	10.0
145.02969	7.7
147.04594	0.7
149.06085	1.3
155.05069	0.6
159.04588	2.1
161.02480	1.0
161.06123	0.6
165.99142	0.9
169.02948	4.1
171.04553	0.8
173.02460	0.9
178.99889	5.5
179.03500	0.7
183.04533	2.2
185.02466	3.0
187.04030	100.0
188.04395	5.6
189.05560	1.4
193.98508	1.3
194.99312	0.6
197.02563	0.9
199.03961	0.8
201.01942	2.2
205.01392	0.8
210.03258	0.5
211.04028	26.8
212.04315	1.9
213.02127	0.6
215.03464	1.0
217.05078	6.0
219.06642	9.0
220.06923	0.5
241.01384	2.1
243.03075	2.2
243.06580	1.0
269.00986	3.4
269.03595	0.6
271.02539	2.6
283.02512	72.1
284.02829	4.7
297.00500	3.2
300.02774	3.8
315.01492	1.9
315.05096	19.0
315.18173	1.5
316.05432	1.8
318.59232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87035	0.5
51.32899	0.5
59.01362	0.5
60.59353	0.5
62.59716	0.4
65.00330	18.9
66.00664	0.5
68.99822	10.2
69.14085	3.4
71.29004	0.5
81.03446	1.5
83.01391	0.7
92.99842	0.9
95.01418	0.7
95.04998	0.6
107.01403	3.9
108.99311	0.5
112.98812	2.0
113.03967	0.8
115.05560	0.8
117.03478	6.9
119.05040	16.9
120.05353	0.6
129.03508	0.8
129.51372	0.6
131.01439	0.7
132.02209	0.7
133.02977	8.7
134.03621	0.6
135.04546	0.7
136.98816	20.6
137.99184	1.4
139.00383	0.6
141.03477	7.7
143.05028	11.5
144.90622	0.5
145.02965	8.8
145.06581	1.0
146.06975	1.0
147.04512	2.0
149.02419	0.9
149.06055	1.1
153.03468	1.4
155.05080	1.1
157.02977	2.5
158.03770	1.2
159.04535	2.6
161.02472	1.4
161.06133	0.8
164.98291	1.7
165.98666	1.0
168.47968	0.5
169.02953	7.9
171.04538	5.0
173.02490	2.8
175.03973	0.8
178.99861	4.6
181.02817	0.9
182.03705	2.3
183.04538	4.4
183.08110	0.7
184.00098	1.4
185.02440	4.3
186.02890	0.5
187.04015	100.0
188.04401	5.5
189.05527	1.5
197.02467	2.8
198.03223	0.9
199.03998	5.1
201.01978	4.0
210.03314	0.8
211.04019	26.0
212.04382	1.4
212.75975	0.6
213.01965	1.5
215.03499	1.2
217.05089	4.9
219.06615	8.1
220.06953	0.7
225.01981	3.4
226.02736	1.7
227.03476	1.4
241.01427	0.6
243.02881	1.7
243.06596	1.0
257.03595	1.1
269.00916	11.5
270.01355	0.6
271.02432	1.9
272.02792	0.7
283.02496	70.3
284.02805	6.2
285.03046	8.4
297.00412	37.5
298.00854	4.4
300.02368	3.8
300.05444	3.3
313.88370	0.6
315.01617	2.2
315.05048	19.9
315.07959	4.6
316.05368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33319	0.4
63.02409	0.5
65.00330	13.4
66.00643	0.7
68.99817	7.5
69.48070	2.1
83.01395	0.5
92.99844	0.5
98.22575	0.9
107.01414	2.9
112.98808	1.5
117.03461	5.9
119.05035	15.6
120.05405	0.4
131.05093	0.5
133.02979	4.8
134.03395	0.7
136.98817	10.9
137.99173	1.4
138.99263	0.5
141.03503	3.6
143.05038	10.1
145.02962	7.5
145.06578	0.7
147.04510	1.6
149.06093	1.0
152.01149	0.5
155.05096	0.9
157.02969	0.9
159.04523	1.7
161.02441	1.1
161.05972	0.7
161.13872	0.4
164.98306	1.5
165.98598	1.1
166.98724	1.0
169.02965	4.3
171.04506	2.8
172.17519	0.5
173.02492	1.2
175.04030	0.7
178.99873	5.1
182.03741	0.9
183.04552	2.8
184.00127	0.8
184.05052	0.5
185.02429	3.2
187.04025	100.0
188.04391	5.1
189.05612	1.9
197.02565	1.2
199.04047	1.9
201.01970	2.1
210.03287	0.7
211.04024	25.2
212.04390	1.4
213.02007	1.0
215.03464	0.9
217.05124	4.4
218.05153	0.5
219.06654	7.5
220.07040	0.6
225.02017	1.4
226.02727	1.4
227.03514	0.6
228.03992	0.5
243.03107	0.8
243.06682	0.8
257.03549	1.1
269.00934	6.7
271.02405	0.9
283.02505	65.9
284.02881	5.8
285.03064	5.3
297.00427	16.6
298.00842	1.3
300.02332	3.7
300.05457	2.4
315.01767	0.8
315.05081	17.5
315.07889	2.9
315.13010	0.6
316.05411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92756	3.0
65.00333	55.1
68.99827	16.6
69.34357	14.0
80.45133	3.0
86.61906	2.4
92.99810	5.3
96.99252	2.6
98.22636	6.0
99.00911	15.4
110.00098	10.5
111.00892	5.2
112.98764	4.6
115.85603	2.8
117.03496	7.3
118.03159	2.7
119.04259	4.3
119.05041	54.2
123.00917	21.0
129.61989	2.6
133.02963	5.4
135.04532	3.0
136.98822	61.7
137.84880	2.9
137.99643	3.6
139.00378	5.3
143.05045	34.8
145.02957	11.9
149.02441	10.8
164.98291	3.4
165.99112	4.5
166.99812	3.3
167.04970	3.0
169.02933	7.1
171.04465	2.9
174.08649	2.5
182.03630	3.3
183.04587	2.6
187.04025	100.0
188.04373	6.8
194.99231	5.0
201.01897	5.9
211.03993	27.5
227.03476	2.9
243.02945	6.2
269.00934	7.8
283.02518	97.3
284.02850	5.5
287.02017	6.1
297.00488	13.1
300.02713	36.9
314.83780	3.1
315.01453	26.7
315.05069	77.0
316.05280	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85371	0.4
65.00259	10.1
66.00596	0.5
67.05795	0.5
69.66684	1.3
81.00871	0.4
82.87798	0.4
108.02121	0.4
108.99296	0.6
109.02906	0.8
110.00037	1.7
111.00813	0.6
117.03411	0.5
119.01341	0.6
122.00063	0.4
125.73090	0.4
127.53193	0.4
133.02957	2.9
134.03755	2.5
135.04462	1.1
136.98824	12.4
139.00304	0.9
148.05315	0.4
149.99530	1.2
153.01964	1.9
164.01083	1.1
165.99030	1.8
172.05223	1.7
173.02402	0.5
174.03154	1.4
175.03937	0.7
177.01889	0.5
179.03476	0.8
183.04494	0.4
185.02406	0.7
188.04657	1.0
199.04028	2.8
200.04741	1.6
201.01944	3.8
202.02736	2.1
203.03430	0.6
205.01414	0.9
211.03984	0.9
213.01933	0.8
214.02589	0.4
215.03384	1.3
216.04306	3.0
226.02751	0.6
227.03568	2.6
228.04303	2.7
229.01389	0.6
230.02180	0.9
230.25691	0.4
241.01370	0.4
243.02994	2.3
244.03862	0.5
254.02263	0.5
255.02974	1.0
256.03629	0.7
256.54825	0.4
256.98846	0.4
271.02469	0.7
271.82227	0.4
272.03183	1.4
277.47058	0.4
283.02390	0.9
299.01956	2.0
300.02774	100.0
301.03094	6.4
315.05139	50.6
316.05453	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	315.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84957	0.6
59.01360	1.0
65.00330	15.9
68.99831	1.8
69.07417	5.3
91.01948	0.7
92.99824	1.0
93.03447	1.2
94.91016	0.7
95.01382	1.5
96.99322	0.9
97.02985	0.7
97.86792	0.7
98.21883	1.5
108.02200	1.1
108.99352	1.3
109.02935	3.0
110.00119	7.7
110.94137	0.7
111.00879	2.1
117.03472	4.2
119.05035	2.1
123.00891	1.1
124.98826	1.1
125.99596	0.8
133.02957	2.8
133.28543	0.7
134.03758	3.3
135.00890	0.8
135.04530	10.1
136.98814	14.5
137.39838	0.6
137.99612	3.4
139.00397	2.9
142.44319	0.7
143.05014	1.1
145.02954	1.0
149.99573	1.6
151.00371	1.2
153.01913	1.9
153.99075	1.9
155.05153	0.8
158.03677	0.9
161.02443	1.6
164.01186	0.9
164.98285	2.1
165.99091	7.9
166.99826	1.7
172.05328	1.5
173.02449	1.4
174.03172	0.9
175.04059	1.4
178.99907	3.2
179.03539	1.3
181.98625	1.0
182.46507	0.7
183.04483	1.5
187.03986	2.8
188.04759	1.4
190.99953	0.8
193.98561	6.4
194.68889	0.8
194.99342	3.4
199.04018	5.3
200.04774	2.5
201.01993	5.4
202.02658	2.8
203.03481	1.2
205.01462	1.0
209.10953	0.7
211.03938	1.0
213.01859	1.5
214.02769	0.9
215.03511	2.5
216.04300	3.5
216.31564	0.7
226.02504	0.9
227.03505	3.9
228.04260	3.9
229.01367	1.0
230.02127	0.8
240.04144	0.7
243.02969	4.8
243.06720	1.1
244.03600	1.8
255.02977	2.5
256.03787	2.4
271.02490	4.0
272.03268	4.2
283.02441	2.2
287.01978	2.2
297.04117	1.1
299.01962	2.7
300.02759	76.6
301.03104	5.3
312.88754	0.8
315.05121	100.0
316.01947	1.2
316.05466	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	315.0513
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
59.01375	1.2
63.99547	1.5
65.00313	1.4
68.99820	10.5
71.41709	0.6
82.36545	0.5
92.99829	5.9
97.02938	0.8
99.00888	62.1
100.01217	1.0
111.00894	1.0
117.03460	1.7
119.05040	11.7
120.05386	0.5
123.00896	61.4
124.01213	1.5
125.02476	0.7
133.02937	0.9
135.04541	1.2
136.98859	0.6
139.00415	1.0
143.05058	0.7
145.02930	1.6
153.01941	1.9
169.01521	1.0
183.04582	0.8
187.04031	3.3
187.55452	0.5
194.99359	100.0
195.99745	3.0
199.03979	0.6
201.01941	0.8
211.04002	1.4
239.03394	1.3
241.01360	1.1
243.03061	1.1
255.02934	1.0
271.02573	0.9
283.02487	7.0
284.02750	0.6
300.02780	1.5
315.05133	35.0
316.05371	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	315.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.1
59.01381	23.2
65.00323	7.7
68.99823	2.5
70.13186	2.2
70.38093	3.8
71.01387	19.8
72.99304	2.6
73.02949	3.6
74.99105	12.0
79.95714	2.9
80.96484	3.3
82.02992	2.5
83.01394	4.3
84.00882	3.0
85.02956	3.9
87.00891	5.4
89.02449	7.9
92.99841	4.4
94.03016	2.4
96.04561	9.2
98.02483	5.1
99.00888	3.0
101.02434	4.3
109.02937	3.1
111.00880	7.0
112.04062	4.0
113.02440	3.6
117.97301	4.6
118.98101	100.0
119.03505	3.8
119.05032	12.3
119.98384	2.4
120.99663	16.6
123.04539	4.8
123.08163	2.8
130.08743	26.2
134.03746	5.4
135.04529	9.3
136.98822	7.9
139.00407	4.4
139.04073	2.9
143.04976	3.9
143.11882	22.7
145.02902	3.4
145.06628	2.7
149.06090	3.3
149.09769	3.1
153.00209	3.6
153.01939	4.5
156.03029	3.5
161.02428	3.1
165.01910	4.8
166.01430	3.7
167.03499	10.0
179.05576	3.4
184.02472	3.3
186.11403	3.6
187.04060	10.6
187.11761	3.1
192.97688	2.9
199.03996	4.1
201.01837	2.9
209.12976	8.8
215.03557	3.2
227.03801	4.7
227.07253	3.5
235.04234	5.7
251.07645	2.3
253.12102	12.5
257.04550	6.8
269.11447	10.4
271.06137	4.2
271.11703	3.3
271.14197	2.7
284.86172	2.4
297.00452	3.7
297.03906	4.3
297.10623	9.9
300.02512	2.7
315.01031	4.5
315.05099	10.3
315.11255	31.6
318.37549	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	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.60942	0.9
59.01385	11.7
61.98845	1.3
69.58545	3.0
71.01392	4.0
74.02481	1.3
78.95905	4.5
81.03490	1.3
83.06184	1.3
85.02977	1.3
86.66189	0.9
88.04079	2.0
98.21938	2.1
101.02474	1.2
104.57300	1.1
108.02187	100.0
109.02980	32.7
113.02460	1.3
114.05651	1.4
117.05586	3.6
121.02996	1.7
123.04533	2.4
131.08272	10.0
131.90338	0.9
145.06215	1.8
145.09837	1.9
151.03990	1.8
152.01164	62.0
153.01958	30.6
153.02928	0.7
156.99892	1.1
165.01944	2.6
172.01047	4.0
174.99239	1.7
183.26216	0.9
196.05838	4.0
196.14511	1.1
200.13980	1.3
217.00264	5.8
217.11902	1.5
231.08350	1.6
238.06850	13.8
239.06989	1.6
255.09508	11.5
272.89127	1.6
273.87033	1.2
278.87192	1.3
314.90430	1.1
315.07263	75.0
315.16940	2.4
315.20148	1.6
316.07617	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	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.26741	0.5
57.03452	1.0
59.01381	3.2
63.98344	0.5
65.00331	1.3
66.81531	0.5
67.01892	0.8
68.99823	1.0
69.23573	2.5
71.01373	1.2
74.02486	1.3
81.03459	0.8
83.01393	8.6
85.02962	1.6
88.04047	3.5
89.02486	0.6
96.96009	2.2
101.02440	0.6
102.65846	0.5
107.01389	2.6
109.02960	4.0
111.00867	0.8
114.05621	5.0
115.06010	1.1
118.98109	1.5
119.05125	0.5
120.99697	0.6
123.00888	0.5
123.04524	1.0
125.02461	6.4
133.03006	0.6
135.04512	1.2
137.02483	0.7
139.04063	0.5
143.04997	0.5
149.02481	1.5
151.00392	13.0
152.01123	0.5
153.01958	100.0
154.02310	3.2
155.07040	0.5
167.03566	1.0
168.06802	0.6
169.09830	1.0
177.02023	1.4
188.50485	0.5
195.03078	2.8
199.10971	0.7
225.16130	0.4
227.03436	0.5
235.11850	1.4
286.14053	0.7
300.02939	0.9
314.20911	1.6
315.07510	9.1
315.10626	0.9
315.17242	0.6
315.20807	0.8
316.15213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0878
Annotation	variecolorquinone B
Peak:m/z	Relative Intensity
52.54492	0.8
55.01871	6.1
63.02395	1.1
65.00330	1.9
69.06950	6.6
73.73911	0.9
79.01898	73.6
80.02236	1.3
86.14987	0.9
89.27725	0.9
107.01402	7.7
111.00891	27.9
112.01141	1.3
115.45065	0.8
117.03473	2.1
123.00878	3.3
127.05539	1.2
129.03400	0.8
135.00917	6.1
136.01672	9.4
143.05086	1.0
151.00383	59.2
155.08690	1.8
161.34836	0.8
164.01117	2.9
165.07117	1.8
167.08714	1.4
167.55983	1.0
171.04564	3.0
178.99873	64.6
180.00192	2.2
181.06516	1.1
183.08215	4.8
192.00594	1.2
193.06645	1.3
195.08150	5.3
197.06070	3.3
197.11208	0.8
211.07651	10.0
212.04828	1.0
213.05612	11.1
224.04671	1.1
227.07175	7.2
237.05577	1.6
239.07156	15.1
240.07544	1.6
241.05028	2.4
255.06653	54.3
256.06985	3.8
270.05347	1.2
283.06143	92.0
284.06509	6.0
297.00461	2.1
297.07474	1.4
300.02618	3.3
315.08743	100.0
316.08963	7.0
321.13364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1091
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.79945	2.6
59.01385	75.8
70.41083	2.6
71.01387	23.3
72.99324	4.3
85.02953	3.4
88.04042	3.5
89.02449	31.4
89.42705	2.9
101.02486	20.1
109.02956	12.5
113.02480	9.4
114.05600	3.1
119.03511	11.4
123.04530	83.2
130.08745	8.5
135.04539	41.2
138.01906	2.8
143.11914	5.8
153.01984	19.5
153.05589	100.0
154.05984	4.3
200.13979	3.5
217.00348	8.0
225.06445	4.6
238.09950	3.3
277.00589	4.3
279.00320	3.1
298.13846	3.3
300.02701	4.0
302.69830	3.0
315.10837	53.8
315.16800	8.7
316.11127	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	315.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	12.4
61.98823	2.5
70.02969	1.7
71.01420	1.9
71.41702	1.2
72.99289	1.6
73.02953	1.7
74.02469	3.5
78.95910	10.7
83.06152	4.9
88.04050	5.2
96.00906	4.0
98.02499	2.0
101.03973	1.3
108.02184	6.7
109.02949	5.6
114.01965	5.9
116.07178	1.2
117.01880	1.3
121.34369	1.2
123.04544	5.9
126.00509	1.6
127.05104	1.9
129.10353	1.7
130.01479	1.6
130.08710	2.2
131.04623	2.1
131.08282	63.0
136.93977	1.5
141.01677	1.7
143.11913	2.2
145.06253	1.8
145.09923	1.6
150.05243	5.0
152.01146	4.8
153.01942	5.7
153.03122	1.4
153.05583	9.6
153.99953	2.2
156.07803	1.9
156.99951	1.5
158.99658	2.0
159.01445	1.3
172.01048	22.2
173.01207	2.7
173.10474	11.6
173.12785	1.3
174.99219	1.5
178.04698	2.3
181.19933	1.4
182.13014	1.7
184.06119	1.8
185.03046	2.3
192.02740	4.8
192.06334	2.5
194.07838	5.8
196.05801	26.7
200.14108	9.3
201.12411	1.5
214.05746	3.0
217.00328	4.0
231.08383	8.1
238.06859	100.0
239.07014	8.6
255.09511	71.0
256.09808	6.3
272.89243	1.9
273.07666	2.0
273.10510	3.7
278.87140	3.0
289.94843	1.4
296.88184	1.5
297.15466	1.6
314.90137	1.5
315.07147	3.7
315.10165	3.6
315.16669	8.8
315.20184	5.5
316.14731	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	316.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18173	0.5
57.97317	0.5
59.37864	0.5
65.00323	1.3
71.12031	0.5
71.40969	0.7
80.05108	0.6
82.06632	1.5
83.05032	1.6
85.71354	0.5
98.06122	2.1
100.07693	17.5
110.06164	0.6
112.07697	46.7
113.08024	1.2
115.07657	88.6
116.07940	2.7
124.98822	0.9
127.00359	0.7
128.07187	100.0
129.07544	2.4
136.98898	0.8
146.08240	34.4
147.08578	0.8
153.01930	0.7
156.06665	23.3
156.35027	0.5
168.45491	0.6
171.04550	1.8
172.04874	2.4
172.06221	0.6
174.07722	82.0
175.08040	2.6
218.06779	2.8
227.03413	0.6
244.15553	18.3
245.15895	1.1
249.23439	0.6
272.15070	2.8
299.02048	1.2
301.03058	4.4
316.05472	5.6
316.08981	0.7
316.10660	0.7
316.13861	3.3
317.06509	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	2.0
66.00639	0.6
68.05043	0.7
69.11251	4.2
82.06628	0.7
83.01414	0.7
83.05030	1.2
86.63899	0.5
96.99326	0.8
98.06139	2.8
99.00807	0.7
100.07686	15.7
101.08031	0.6
110.00153	0.7
111.00888	1.7
112.07691	48.9
113.08056	1.1
115.07656	90.9
116.07988	2.5
119.05036	2.7
124.79400	0.5
128.07185	100.0
129.07535	2.1
133.02991	0.6
135.04462	0.7
136.98813	1.7
137.99107	0.7
139.00362	1.7
146.08241	35.2
152.93518	0.7
156.06660	23.4
157.07043	0.9
164.98228	1.3
166.99275	0.6
174.07718	89.6
175.08064	2.6
218.06723	2.2
244.15544	18.2
245.04512	1.6
245.15814	0.8
271.02512	1.1
272.15009	3.3
298.00885	1.3
299.01971	4.2
300.99792	0.5
301.03055	4.1
316.05435	5.7
316.13861	2.9
317.02927	0.8
327.34616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1881
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
52.41581	0.9
59.01374	4.4
61.98816	1.6
65.00330	1.6
71.01383	4.1
73.04073	8.5
79.95718	1.0
82.06642	1.1
83.01408	2.9
89.02440	3.4
96.80009	1.1
101.02477	2.1
103.05113	1.7
107.01413	10.1
113.02459	2.2
115.08803	1.6
116.07182	21.1
117.03447	3.2
125.07220	3.6
126.05630	4.6
127.08823	3.9
129.10355	5.1
130.08754	90.5
131.09143	2.1
133.02985	1.6
135.04546	6.3
136.98827	1.9
137.02443	2.6
139.03969	1.0
140.07187	2.1
141.10332	1.5
143.11923	2.8
153.48399	1.1
154.01459	2.6
155.08290	7.0
157.07722	2.2
158.03648	1.1
159.04524	1.2
167.08287	1.3
169.09853	2.9
178.99902	8.4
183.04442	1.9
185.09363	6.2
185.16611	49.7
186.16858	2.0
197.14523	1.1
199.10880	1.9
200.14041	1.0
203.03479	1.5
211.03815	0.9
219.07692	1.2
229.15565	3.5
242.18788	20.7
243.19089	1.3
255.02986	5.5
271.39539	1.1
273.03854	1.3
286.17749	23.7
287.18240	2.1
298.17755	2.7
299.02029	3.5
316.05414	1.7
316.18790	100.0
317.15332	2.5
317.19153	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	317.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99809	0.5
57.03458	0.5
59.01379	1.4
64.87542	0.5
65.00332	4.4
68.99829	8.1
69.54517	1.3
71.01402	1.1
72.99312	0.6
83.01398	1.3
85.02956	1.3
93.03473	1.7
95.01406	0.7
96.99323	14.8
99.00885	7.0
111.00883	1.1
113.02456	1.4
114.05685	0.5
117.03477	0.7
119.05041	100.0
120.05345	3.4
123.00906	1.1
124.98817	4.9
126.71255	0.4
127.00389	1.9
133.02980	1.5
135.04523	2.1
136.98796	1.3
139.00417	1.3
141.01967	6.6
142.99879	12.0
143.05034	4.2
145.02977	1.6
152.98334	5.1
164.98293	1.8
170.99356	3.2
171.04570	1.3
173.06076	0.6
175.03947	0.6
183.04536	0.5
185.06218	0.6
187.03993	3.0
189.05594	1.5
193.03529	0.7
199.04066	1.9
201.05553	0.6
203.03677	0.5
227.03490	0.9
243.02966	0.9
245.04573	38.7
246.04948	1.5
255.02884	0.6
271.02539	1.5
273.04120	3.0
299.01990	6.2
300.02332	0.6
302.03329	1.0
317.02570	3.8
317.19742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41793	0.2
52.27040	0.3
57.03440	0.4
59.01389	1.8
63.72346	0.3
64.49476	0.3
65.00325	2.5
67.01884	0.5
68.99797	0.3
71.01385	0.7
73.02956	0.3
76.38680	0.3
83.01373	0.3
85.02962	0.3
93.03452	0.6
93.19994	0.3
95.00898	0.3
95.01414	1.8
95.05012	0.3
96.96003	1.5
96.99328	0.8
98.21834	0.7
99.00858	0.5
105.03460	0.6
107.04994	0.4
109.02965	0.5
110.00089	1.1
111.00893	3.1
113.02461	0.4
113.74616	0.3
114.05583	0.4
115.20610	0.3
117.03432	0.3
119.01356	0.4
119.05041	0.9
119.11516	0.3
120.99327	0.3
121.02968	0.6
123.00893	1.0
124.98806	0.7
125.02451	3.1
129.61197	0.3
130.04196	0.3
133.02959	4.2
133.06516	0.3
134.64186	0.4
135.00902	0.6
135.04529	1.3
136.98840	3.0
137.02455	6.6
138.99342	0.4
139.00391	5.8
143.05020	0.7
145.02914	0.4
147.04512	0.6
149.02452	25.0
150.02769	1.2
151.02866	0.5
151.04019	8.0
153.01897	0.3
154.47609	0.3
159.04544	0.7
161.02466	0.3
161.06035	0.4
163.00348	1.5
164.98299	5.4
165.01944	3.2
165.99097	1.0
166.99873	3.6
171.04521	1.1
175.04007	1.2
177.01912	0.5
181.01445	0.7
183.04510	0.5
185.02441	0.5
185.08141	0.5
187.04005	0.4
189.01884	0.7
189.05550	0.5
191.03510	1.0
192.00705	0.6
193.01404	0.8
199.04007	4.5
201.01910	1.0
201.05716	0.5
202.05014	0.5
203.03438	1.0
211.03996	0.3
213.01950	0.5
215.03471	0.6
216.03883	0.4
217.01385	1.2
217.05038	0.9
227.03491	2.9
230.02124	0.3
231.02997	0.9
233.04474	0.4
239.12967	0.4
243.03020	2.3
245.04521	1.2
253.01448	0.7
255.03021	2.0
261.04208	0.4
271.02490	4.1
272.03177	0.4
273.04169	0.7
273.07684	0.4
289.03494	1.1
299.02008	8.7
299.05310	0.4
300.02478	1.2
317.03018	100.0
317.19739	0.6
318.03372	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	317.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.0
65.00326	67.7
69.46808	7.8
75.59050	2.6
79.95294	4.9
79.95743	73.6
83.01388	7.0
85.02979	2.4
92.99847	10.1
96.96026	8.4
96.99322	16.8
98.22670	3.9
99.70780	2.5
107.01411	8.1
107.05029	2.7
108.99304	3.8
110.00118	5.6
111.00885	23.0
117.03508	5.2
119.05054	3.8
120.99352	7.6
125.93561	2.3
131.05057	4.7
133.02936	25.2
133.11789	2.3
135.04539	13.0
136.98824	37.2
139.00417	4.2
141.01962	8.9
141.03470	6.8
143.05038	8.1
144.02159	5.6
145.02966	8.0
147.04503	14.9
153.01913	3.1
155.05005	9.5
157.02943	8.0
157.06528	2.7
158.03738	6.7
159.04517	10.9
161.02457	11.1
164.98305	65.5
165.98972	2.8
167.05046	3.1
169.02992	6.5
171.04523	14.4
172.01559	3.0
173.02431	34.1
174.03194	7.9
175.04019	28.6
178.99905	7.9
181.01520	2.6
182.03766	7.9
183.04538	23.8
185.02444	29.9
186.03032	4.6
187.04071	12.7
189.48839	10.4
197.00040	31.3
198.03304	4.0
199.04007	37.1
200.01187	14.7
201.01950	24.5
201.05557	5.8
202.02675	13.8
203.03539	15.3
210.03265	2.9
211.03992	17.2
212.01288	4.0
213.01938	61.0
214.02396	5.7
216.50134	2.8
226.02748	6.0
227.03503	100.0
228.03879	9.5
229.01433	4.8
229.05145	3.2
230.02197	5.2
231.03064	5.5
233.10620	2.3
241.00186	4.8
243.02992	6.0
245.04559	9.3
253.01497	3.3
255.02997	57.8
256.03333	4.8
271.02518	20.9
278.02472	5.9
299.01981	91.8
300.02472	10.3
314.04437	10.5
315.04971	2.9
317.03143	12.3
317.06293	3.8
318.00574	3.9
325.92587	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	317.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31382	1.1
59.01387	3.3
61.18303	1.1
64.35048	1.2
65.00329	24.8
69.17495	7.6
71.01387	3.9
79.95747	10.0
80.96517	3.0
83.01395	20.4
85.02962	2.5
87.00907	1.5
92.99840	1.4
96.96026	1.6
96.99336	3.6
99.00917	1.4
101.02462	2.4
107.01401	100.0
108.01706	3.0
108.99271	1.5
111.00893	5.3
113.02423	1.7
113.68272	1.1
117.03525	1.6
119.05063	1.4
123.04482	1.2
132.57617	1.1
132.83725	1.1
133.02980	6.3
134.03778	2.1
135.04532	9.9
136.98824	20.3
139.00362	1.5
141.03468	1.3
143.05034	1.5
147.04506	1.3
151.00389	1.2
158.03752	4.3
159.04559	9.8
161.02443	10.6
161.06152	1.4
164.98305	11.3
169.02888	1.2
171.04523	4.0
173.02484	5.7
175.04013	3.8
178.99872	71.8
180.00179	2.7
183.04472	4.8
183.09972	1.1
185.02426	4.5
185.09763	1.7
187.04022	2.0
199.04060	5.0
200.01202	3.4
201.01982	2.9
202.02733	2.7
203.03511	3.7
203.64137	1.3
211.03992	2.0
211.07712	1.8
213.01941	11.4
226.02736	1.9
227.03546	18.4
228.03944	1.5
229.05164	2.4
229.08737	1.7
245.04720	1.4
255.02983	9.6
271.02591	1.9
273.07669	1.8
285.04138	1.9
296.14987	1.5
299.01999	27.4
316.99698	1.7
317.03040	4.8
317.07043	5.3
317.12320	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	317.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33458	0.6
59.01345	0.7
59.70810	0.7
65.00329	24.1
67.01896	2.0
68.99824	1.8
69.85624	2.1
83.01393	3.2
92.99847	1.9
95.01375	1.5
96.96038	1.2
96.99325	3.6
97.02959	10.8
98.21960	0.7
99.30948	0.7
107.05032	0.7
109.02984	0.9
111.00890	13.7
117.03466	1.4
119.05053	2.4
120.99350	1.3
122.77659	0.7
131.05037	1.0
133.02969	14.9
133.03899	1.2
134.03784	1.2
135.04547	3.8
136.98817	21.2
137.99104	0.7
139.00392	9.9
139.04019	2.5
141.02023	0.9
141.03397	1.0
143.05025	2.3
145.02930	0.9
145.06631	0.8
147.04593	1.5
151.04065	0.9
153.99068	0.9
155.05057	2.0
157.02971	1.8
158.03746	1.1
159.04570	3.3
161.02472	2.0
164.98315	21.0
165.01888	0.6
165.99037	1.5
169.01456	1.8
171.04549	5.1
173.02521	1.9
175.04063	2.5
177.01936	2.0
183.04579	3.1
185.02495	1.9
185.06134	1.2
185.09673	0.6
187.04024	1.3
199.04007	10.5
200.01146	1.1
201.01997	12.3
202.02496	0.7
203.03560	1.8
203.07196	1.1
211.04114	0.9
213.01973	2.8
213.05571	0.9
215.03517	1.0
227.03535	9.3
229.01480	1.8
243.03001	2.5
245.04462	0.9
245.08197	14.6
246.08376	1.0
255.03033	2.4
271.02521	17.7
277.03781	1.1
299.01996	100.0
300.02377	6.5
317.03009	6.1
317.06512	1.3
317.10471	1.4
318.03268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	6.9
63.02390	6.8
65.00327	14.0
68.99831	10.5
70.16205	10.5
71.01381	5.4
71.86036	3.5
83.01411	10.7
93.03468	58.2
94.16729	4.0
95.01400	12.7
96.99323	14.6
98.21947	4.1
99.00873	24.9
99.19532	3.3
107.01425	15.8
110.00111	6.2
111.00893	52.6
117.03491	33.3
119.05048	87.7
119.05904	5.6
120.05398	3.6
123.00900	26.7
124.01704	6.1
124.69792	4.6
124.98817	8.0
125.02443	16.8
127.00423	4.7
131.05060	4.9
133.02945	10.9
135.00899	20.7
135.04544	6.9
136.98767	17.6
137.02505	3.8
139.00394	100.0
140.01180	7.1
141.01936	11.8
142.99850	8.9
143.05031	16.2
145.02963	8.9
151.00403	34.6
152.98299	6.1
153.01930	12.8
155.05067	7.4
159.04556	23.9
161.02470	31.3
163.00291	4.0
164.98254	6.3
165.99133	4.7
166.98442	5.5
166.99886	97.1
168.00627	30.6
169.01472	4.7
171.04523	12.5
173.06094	3.6
178.99875	42.8
187.04008	10.7
189.01959	11.2
189.05759	5.3
189.12917	6.0
194.99361	92.7
197.00912	9.2
199.04050	15.5
201.05612	50.9
203.03473	7.8
204.97835	10.7
211.04059	4.6
212.30634	4.0
215.03522	14.8
219.01012	3.6
222.98903	20.7
223.99648	11.2
227.03596	12.6
229.05090	12.8
231.02925	19.7
243.03033	16.7
245.04584	52.1
245.19145	5.2
258.16449	5.2
271.02509	9.5
273.04111	22.6
273.18631	34.5
289.03586	15.9
289.06818	3.5
299.02020	59.4
300.02444	8.1
302.03287	11.5
317.03021	29.6
317.06274	8.7
317.17551	61.7
339.74780	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73487	1.3
65.00329	62.5
67.94884	1.4
68.99804	2.9
82.00610	3.4
95.01405	4.6
97.02962	5.9
98.21906	4.8
103.00366	1.6
107.01361	1.7
108.99303	3.7
109.02987	1.5
110.00109	17.9
111.00871	5.0
123.00916	2.7
124.01656	7.7
125.02460	14.4
133.33205	1.5
134.03644	1.8
135.04535	100.0
136.04865	4.7
136.98811	48.9
136.99867	2.2
137.02451	6.6
137.99463	1.6
139.00388	19.2
139.04024	2.6
143.05008	2.3
145.06598	6.0
152.01112	3.5
155.03539	3.4
164.98224	1.7
165.99095	24.8
166.99860	29.2
167.03548	3.4
169.06659	2.1
171.04559	8.9
180.00661	8.1
181.01434	64.3
182.01775	1.9
185.06030	2.5
199.03998	4.8
213.05566	18.6
216.04155	1.4
241.05064	46.2
242.05351	2.2
269.21890	1.5
273.07703	15.9
274.07925	1.8
284.03256	3.2
299.01913	2.0
302.04324	24.3
317.06671	40.9
318.07071	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	317.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22748	0.9
62.64364	0.9
65.00329	100.0
66.00673	1.6
67.01895	1.6
68.99821	2.6
70.26015	1.2
70.26341	2.0
75.00883	2.5
82.00583	0.9
83.01387	1.6
97.02966	9.2
103.00380	2.7
107.01393	3.4
108.99316	3.2
110.00099	1.3
111.00912	2.7
125.02457	20.5
125.40134	1.2
136.98819	70.1
137.99135	2.6
139.04027	3.6
141.07097	1.1
143.05035	1.4
145.06596	6.5
167.03513	5.2
169.06613	2.9
171.04532	13.0
185.06087	2.3
189.05525	1.6
197.05992	1.1
199.04045	6.7
200.04388	1.0
213.05582	29.0
214.06009	2.0
241.05072	65.5
242.05458	3.8
245.08205	3.3
273.07709	24.3
274.08066	1.6
317.06656	23.0
318.06781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00810	3.1
59.01374	8.9
65.00327	100.0
67.01890	6.0
68.99823	18.4
69.20942	18.9
71.01360	3.9
81.03499	3.9
83.01389	70.9
87.00870	5.2
92.99827	9.8
95.01352	8.2
96.99321	24.1
97.02962	4.9
99.00890	30.6
101.02440	4.4
101.03970	5.4
103.00353	4.4
107.01384	13.9
107.05031	5.9
109.00401	3.4
109.02937	5.2
110.00099	5.4
111.00896	45.5
112.98837	7.3
115.00457	3.5
115.05526	11.4
117.03461	10.9
119.05033	26.9
120.99351	5.1
121.02969	7.1
121.48772	3.6
123.00858	4.7
123.04540	7.2
124.01623	3.5
124.98784	10.4
125.02473	6.5
127.00351	19.3
127.05521	6.7
130.04305	5.5
131.05025	34.8
133.02975	25.4
133.06589	5.1
135.04541	17.8
136.98816	55.2
139.00383	10.1
139.04018	4.7
139.63353	3.9
140.71196	3.7
141.01945	5.0
141.03452	8.4
141.07133	10.6
143.05043	53.7
145.02943	6.9
145.06607	23.3
147.04559	26.6
151.00374	12.6
153.01958	5.0
154.99892	8.4
155.05005	12.4
157.01433	17.5
157.02785	6.4
157.06525	6.5
158.03703	10.9
159.04489	15.0
161.02441	13.4
161.06085	25.8
164.98297	68.3
165.98920	4.3
168.00648	4.7
168.06578	3.4
169.01453	34.2
169.02824	7.2
169.06584	15.5
171.04521	60.9
173.02441	31.3
173.06120	7.1
174.03210	11.6
175.04048	26.5
178.99861	13.1
182.03773	9.0
183.04503	28.9
185.02451	26.7
185.06064	8.8
186.03236	4.2
187.03989	13.6
189.05547	10.6
197.02553	3.8
197.06117	26.8
199.04037	69.1
199.05788	3.5
200.01222	19.1
200.22626	3.9
201.01955	27.4
201.05582	30.7
202.02655	9.8
203.03477	14.6
203.07001	4.7
211.04152	19.8
211.05794	3.7
213.01996	50.9
213.05548	86.8
214.02422	6.3
214.06087	4.5
227.03511	94.3
228.04008	7.4
229.01367	6.5
229.05031	11.7
229.08655	8.7
230.02132	5.3
231.03070	4.2
231.06650	49.5
241.05103	26.6
245.04449	11.9
245.08260	5.1
255.02997	59.7
255.06743	4.8
271.02417	18.9
273.07733	47.5
274.07767	4.0
285.04041	10.2
299.02042	98.9
299.05515	9.2
300.02353	6.6
317.03006	20.6
317.06686	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12366	1.4
65.00333	27.4
67.01896	7.6
68.99818	3.9
70.83575	1.1
81.03466	1.4
83.01389	6.7
92.99817	1.8
95.01384	1.7
96.99311	5.8
97.02955	33.6
99.00875	1.4
111.00877	17.8
117.03487	2.3
118.79124	1.3
119.05048	5.1
120.99232	1.2
121.02932	1.4
121.09324	1.2
123.00915	1.5
127.00449	1.5
133.02972	17.0
133.06636	1.6
134.03688	1.9
135.04517	3.0
136.98817	24.9
139.00385	8.7
139.04036	6.5
140.27632	1.2
143.05043	4.3
147.04576	1.7
155.05055	1.6
157.02922	1.6
158.03802	1.4
161.02480	2.9
164.98286	21.3
166.99850	1.5
171.04503	10.7
173.02444	3.0
175.04024	2.1
177.02014	2.3
181.01485	1.4
182.03743	1.3
183.04448	3.0
185.02502	3.7
187.04074	1.3
199.04063	10.4
201.01964	13.1
201.05560	1.8
203.03593	1.6
203.07254	1.8
213.01999	2.2
213.05556	1.3
227.03537	8.1
243.02834	2.4
245.04515	2.0
245.05521	2.3
245.08197	46.7
246.08496	3.0
255.03081	4.0
271.02484	15.7
273.04202	1.3
299.01990	100.0
300.02338	5.0
317.02982	5.9
317.06729	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	317.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98783	1.9
55.92765	1.9
59.01368	3.8
65.00327	35.4
68.99830	24.6
69.36660	7.7
75.00871	2.4
75.37177	2.2
78.02503	2.1
83.01392	59.1
87.00882	9.0
92.81725	2.2
92.99833	5.2
95.01415	2.7
96.99308	9.4
98.22632	3.9
99.00890	27.2
101.02451	2.8
101.03985	2.7
103.00378	6.5
103.05529	3.9
107.04983	2.4
110.00055	2.5
111.00892	16.9
112.98833	14.4
115.05544	11.3
117.03455	4.4
119.05026	3.5
124.98827	11.6
125.02431	3.5
125.99597	3.6
127.00401	24.6
127.05531	6.3
127.57980	2.6
131.05035	32.2
133.02948	5.5
133.06593	4.6
133.27501	2.0
135.04520	3.8
136.98816	31.5
139.00381	4.4
140.01100	2.3
141.03505	2.4
141.07114	12.8
143.05032	45.9
144.05438	2.1
145.03003	2.6
145.06619	13.3
147.04536	19.5
153.99106	4.7
154.99866	17.1
155.04997	5.0
157.01430	11.0
157.02911	3.0
157.06587	4.1
159.04547	4.9
161.02449	5.0
161.06096	27.1
164.98303	25.4
169.01456	39.5
169.02846	3.1
169.06685	15.8
171.04501	38.2
173.02394	9.9
173.06064	6.1
174.03087	2.8
175.04015	8.2
182.03743	4.2
183.04538	9.3
185.00951	3.9
185.02354	10.1
185.06036	6.4
185.09476	2.4
187.03993	7.0
187.07671	2.7
189.05577	5.3
197.06116	17.1
199.04028	36.5
200.01193	3.2
201.01929	10.6
201.05586	19.2
202.02754	4.9
203.03528	5.0
203.07082	3.4
211.04030	5.7
213.02122	21.2
213.05585	100.0
214.02332	3.7
214.06078	6.5
214.24701	2.4
217.05074	4.1
217.08528	2.7
227.03522	27.5
229.05048	7.2
229.08759	2.9
231.03093	2.5
231.06624	39.3
241.05067	31.8
242.05559	2.6
245.04585	4.0
245.08136	5.1
255.03023	20.9
255.06805	3.1
257.04602	3.5
271.02487	6.3
273.07690	30.9
285.04080	4.9
299.01938	18.6
299.05487	6.0
302.03299	3.7
309.04477	2.6
317.06711	5.1
317.10190	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	317.0669
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
50.48596	1.0
52.09999	1.1
57.03454	16.0
59.01392	2.0
63.02397	3.0
65.00330	11.9
67.58747	1.0
68.99824	5.0
73.70946	1.1
81.03453	1.5
83.01402	8.2
93.03446	4.2
95.01395	4.6
96.02168	2.6
96.99327	8.5
99.00893	6.3
107.01404	6.1
108.02166	2.4
109.02975	2.8
110.00121	2.1
111.00857	6.4
117.03466	3.6
119.05040	75.9
120.05352	3.3
122.03748	2.8
123.00889	5.3
124.01686	14.0
124.98847	2.7
125.02464	100.0
126.02789	2.2
127.00397	1.8
133.02966	5.7
135.00862	1.7
135.04515	3.3
136.98813	2.0
139.00395	11.9
141.01987	1.2
142.99895	8.2
143.05003	3.1
145.02968	2.0
146.03748	2.0
149.02434	3.0
150.03107	1.1
151.00391	12.7
151.99956	2.2
152.01170	38.3
152.98305	4.8
153.01981	5.0
157.03059	1.3
159.04512	3.6
159.38036	1.0
161.02446	5.3
164.98219	1.7
166.99872	4.8
168.00639	1.7
170.99339	1.2
171.04544	2.6
177.01819	1.6
178.99870	10.7
180.00616	4.6
181.01344	2.0
187.04030	6.8
188.04803	3.2
189.02008	1.7
192.04312	8.8
194.99304	5.3
197.00893	1.7
199.04062	5.2
199.13405	6.1
201.05569	3.1
207.06616	9.1
215.03484	2.9
216.04300	2.1
222.98737	2.2
225.11348	2.9
227.03426	2.0
229.05130	2.0
230.05891	2.6
231.03091	2.5
231.06604	6.2
243.02943	3.3
243.12384	3.1
245.04570	25.9
246.04922	1.8
249.07727	1.7
256.03674	1.2
257.04562	1.3
258.05313	4.9
271.02374	2.2
273.04037	3.0
273.07684	12.6
274.04803	4.1
274.07681	1.1
289.07196	65.3
290.07431	3.4
299.02032	12.7
299.05252	1.6
300.02478	1.2
317.03052	7.2
317.06635	56.3
317.16019	4.2
317.19553	1.5
318.06949	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	317.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00343	2.2
69.74126	3.9
97.36957	1.2
98.22578	2.2
102.18916	1.1
111.00898	1.7
120.99667	100.0
122.55756	1.3
124.01675	1.8
136.98804	1.9
140.01166	1.2
150.03192	3.0
153.00143	2.2
153.01953	1.8
155.03511	1.9
162.12866	1.4
164.98334	1.7
167.01701	1.3
175.04208	1.2
187.16048	1.1
199.04099	1.4
200.01237	1.8
211.04268	3.2
213.01949	2.0
227.03612	3.3
229.05441	2.6
255.03204	2.4
299.02014	3.0
324.53976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00330	0.8
51.84594	0.5
62.96775	0.6
69.35323	2.0
69.35724	1.0
71.55846	0.6
73.21971	0.6
79.37761	0.5
98.22640	1.3
102.03496	4.3
116.05073	100.0
117.05424	3.6
119.05061	0.8
126.45068	0.6
128.05077	31.6
129.05412	1.2
130.06696	1.8
133.02988	0.6
135.04532	0.7
137.27753	0.6
143.68761	0.6
145.02722	6.8
146.06131	2.8
147.04529	0.7
150.01614	1.4
153.04590	7.7
154.05286	0.6
155.06084	1.3
170.02248	23.3
171.02605	0.7
171.04289	2.4
171.05678	2.1
172.04080	2.6
188.03229	1.3
189.01775	1.0
193.86972	0.7
214.01308	1.7
239.06218	0.8
251.07082	0.6
255.94962	0.7
259.06711	3.0
268.54034	0.6
272.06815	0.7
279.07272	1.3
286.08633	0.9
286.24203	0.6
290.08221	0.9
298.07217	5.0
299.08011	18.1
300.08423	1.9
302.03336	1.7
317.09073	44.5
318.09195	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	317.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
59.01386	100.0
61.98837	7.6
63.43708	3.0
69.26711	16.9
71.01389	64.2
72.99313	3.5
73.02934	2.8
83.01407	9.9
85.02979	11.2
87.00896	3.1
89.01891	2.3
89.02454	68.6
95.01382	4.9
101.02458	35.3
107.01414	23.4
108.14774	2.8
110.00220	2.8
110.03431	2.6
110.88276	2.4
113.02448	23.2
116.07222	4.9
117.03439	5.6
119.03513	30.1
130.08760	20.3
131.03552	3.3
131.09108	7.6
135.04494	17.4
136.98816	4.2
137.02472	4.5
143.03551	5.1
149.04503	4.2
178.99869	16.2
183.04495	5.1
184.10107	3.2
185.16647	4.7
186.16978	6.9
199.12457	5.7
201.05536	4.0
229.13496	3.0
243.19164	4.9
255.02968	18.5
273.03967	5.0
273.12430	5.7
279.16779	3.3
287.18045	5.3
299.01947	9.5
299.05371	3.6
313.59235	2.7
317.11917	3.8
317.19193	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	317.2124
Annotation	(plusmn)12-HEPE
Peak:m/z	Relative Intensity
65.59669	0.7
71.41432	0.9
71.54081	0.7
78.06606	0.6
79.27126	0.7
105.31765	0.6
125.09686	1.0
160.74754	0.6
164.08479	5.0
165.09178	1.8
172.34511	0.8
178.10023	3.7
179.10789	42.9
180.11116	1.7
189.82092	0.7
243.14124	0.7
298.76364	0.7
299.16833	1.1
299.20053	7.1
302.03244	1.3
317.21216	100.0
318.21567	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	319.0462
Annotation	Fusarubinoic acid
Peak:m/z	Relative Intensity
51.29655	0.6
59.01388	9.0
63.64574	0.6
64.99984	0.9
65.00331	17.2
70.02991	1.1
71.01402	1.9
71.05022	1.1
81.03480	0.7
83.01386	8.0
85.02953	0.8
89.02434	1.1
92.99821	3.7
96.99320	5.9
101.02483	1.1
107.01391	1.1
108.99267	1.2
109.02975	3.1
110.00118	3.0
111.00895	5.1
113.02473	2.3
114.05668	1.2
119.05022	1.4
120.99332	1.5
128.07217	1.2
130.03360	1.3
133.02974	0.9
134.03677	0.9
135.04543	100.0
136.04918	3.4
136.98817	15.2
139.00417	4.1
146.03741	0.9
146.08278	1.3
147.04630	0.8
153.01952	15.1
153.09340	0.8
159.04539	1.8
161.02444	2.1
164.98312	57.8
165.99042	6.4
171.04573	1.1
178.99818	0.8
183.24553	0.8
187.04120	0.9
201.02052	0.8
214.02773	1.2
215.03537	7.8
229.05180	0.9
235.40955	0.8
238.75253	0.7
247.06178	2.0
257.04529	2.9
262.51392	0.7
273.04077	2.1
277.12326	1.7
283.02594	2.2
301.03568	46.3
302.03940	3.5
319.04749	4.4
319.08060	1.0
319.13748	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	319.0972
Annotation	Phenolphthalin
Peak:m/z	Relative Intensity
52.18238	1.5
58.02979	5.1
59.01390	10.4
60.43005	1.6
66.09456	1.8
69.26021	9.0
84.04556	25.3
98.06127	6.6
99.05647	14.6
100.07699	1.7
102.04939	4.2
102.05614	71.8
112.04037	2.3
128.03554	100.0
129.03929	2.2
141.06715	8.4
141.10315	3.0
142.05139	12.9
146.04608	35.3
147.06033	2.8
148.04401	14.8
150.05661	2.6
172.04372	15.3
183.11411	3.5
189.07062	6.1
189.10625	2.4
190.05455	73.8
191.05688	4.2
198.06122	2.2
233.09657	4.5
241.06540	86.1
242.06702	2.7
259.07434	1.9
275.10724	18.9
301.08917	1.9
319.09705	82.2
320.09921	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	319.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	3.2
59.01385	100.0
60.01731	1.0
65.00320	1.1
69.40502	5.5
70.02986	26.5
71.01387	4.8
71.05027	20.4
71.05424	1.5
72.00924	2.8
73.02966	1.3
75.00880	2.5
82.13948	0.9
83.67132	1.1
85.02953	1.7
87.05646	2.8
89.02442	2.8
91.61230	1.0
97.04094	5.2
99.04518	2.5
101.02449	2.3
105.12290	1.0
108.08187	1.7
113.02441	1.8
114.05619	0.9
115.08781	2.3
119.03490	1.3
128.07198	40.4
129.06706	3.4
129.07594	1.0
130.02409	1.8
130.03342	28.1
135.04523	6.7
136.98862	2.7
146.08238	41.0
147.04625	1.8
147.05984	2.7
153.01981	1.3
155.08260	1.1
164.07169	4.5
164.98294	2.6
166.33539	1.1
172.10936	4.0
189.07053	1.7
199.10913	5.8
211.09143	3.1
217.11946	9.6
229.10226	5.2
247.06081	1.1
259.11194	11.4
277.12292	43.9
278.12610	2.6
300.02615	1.7
301.03500	9.9
302.04083	1.0
319.05505	1.3
319.13736	3.8
320.16205	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	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.30894	0.6
55.01869	1.8
57.03443	1.8
58.00583	0.6
58.59033	0.6
59.01382	46.5
60.01721	0.8
69.20468	3.9
69.89108	0.6
70.37874	0.7
71.01387	24.8
72.99309	1.3
73.02945	2.8
75.00859	1.1
83.01392	2.9
84.02157	1.0
85.02974	7.2
85.18996	0.6
87.00881	1.5
89.02451	16.0
92.60242	0.7
95.01400	1.8
98.02476	0.9
98.22684	1.2
99.00890	1.4
101.02446	16.1
108.04535	0.7
111.00872	1.1
111.08167	19.0
112.04060	1.3
113.02452	8.2
119.03489	5.2
121.05472	0.7
122.06126	1.1
122.82803	0.6
123.03269	1.7
124.04059	1.8
131.03494	0.9
135.04555	1.3
136.07718	5.0
138.05626	10.3
139.07678	6.4
141.09248	0.8
143.03458	0.7
153.09187	1.5
157.08714	67.5
158.09009	3.1
161.04478	1.3
182.04582	1.0
183.05357	1.1
184.06160	3.2
199.09811	2.2
209.11827	1.2
257.12823	0.8
319.13980	100.0
320.14288	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	319.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30894	0.6
55.01869	1.8
57.03443	1.8
58.00583	0.6
58.59033	0.6
59.01382	46.5
60.01721	0.8
69.20468	3.9
69.89108	0.6
70.37874	0.7
71.01387	24.8
72.99309	1.3
73.02945	2.8
75.00859	1.1
83.01392	2.9
84.02157	1.0
85.02974	7.2
85.18996	0.6
87.00881	1.5
89.02451	16.0
92.60242	0.7
95.01400	1.8
98.02476	0.9
98.22684	1.2
99.00890	1.4
101.02446	16.1
108.04535	0.7
111.00872	1.1
111.08167	19.0
112.04060	1.3
113.02452	8.2
119.03489	5.2
121.05472	0.7
122.06126	1.1
122.82803	0.6
123.03269	1.7
124.04059	1.8
131.03494	0.9
135.04555	1.3
136.07718	5.0
138.05626	10.3
139.07678	6.4
141.09248	0.8
143.03458	0.7
153.09187	1.5
157.08714	67.5
158.09009	3.1
161.04478	1.3
182.04582	1.0
183.05357	1.1
184.06160	3.2
199.09811	2.2
209.11827	1.2
257.12823	0.8
319.13980	100.0
320.14288	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	319.14
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.83651	0.8
55.01872	1.6
57.03438	1.5
59.01385	92.3
59.73951	0.8
71.01390	35.3
72.01713	0.9
72.99368	1.1
73.02937	1.3
77.64796	1.0
83.01389	3.6
85.02966	6.5
87.00891	1.1
89.02454	37.7
90.13358	0.8
90.54057	0.8
95.01401	1.9
98.21780	1.0
99.00930	0.8
101.02451	24.9
102.02771	1.0
107.01392	2.5
111.00875	1.1
113.02458	12.0
119.03526	15.6
131.03470	1.6
135.04515	8.0
139.07661	20.8
152.45715	0.8
153.01912	1.7
157.08661	2.2
164.98328	3.8
226.82596	1.1
274.33398	1.1
301.03485	2.8
319.13998	100.0
320.14389	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	319.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03459	6.9
59.01385	84.1
60.01701	1.5
69.03442	1.4
70.95794	2.2
71.01391	50.5
72.99317	100.0
73.02958	30.5
73.99646	1.8
75.00871	6.7
83.01401	5.4
84.02159	1.7
85.02961	53.2
87.00870	2.2
89.02451	34.6
95.01405	11.6
99.00892	4.1
99.47750	1.4
101.02457	29.5
103.00381	32.2
103.04037	1.3
113.02465	84.7
114.02788	3.2
129.01945	3.6
131.03526	26.6
133.01442	8.7
149.04581	2.9
157.01431	6.5
163.02449	4.3
175.02493	5.3
185.38559	1.3
193.03555	95.7
194.03906	2.9
215.05421	1.2
246.42862	1.3
253.29482	1.3
257.17654	1.3
292.12808	1.3
301.02682	1.9
319.14005	1.7
323.60822	1.5
337.14902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	9.0
65.00325	1.2
66.19566	0.8
69.28750	1.8
69.29137	2.5
70.41176	0.8
72.00909	5.7
82.06617	3.4
91.05539	25.1
103.05518	1.1
112.07667	3.1
118.06643	3.6
119.05003	1.2
121.42535	0.8
126.09275	2.0
126.89799	0.8
129.10353	81.2
130.10683	2.8
135.04541	1.6
138.99284	0.8
141.10378	0.9
147.04533	27.3
148.04829	1.4
153.10358	3.7
154.08749	14.2
164.07179	69.5
165.07539	1.9
171.11400	60.3
172.11761	3.0
216.13997	1.4
233.16614	37.9
234.16966	2.5
275.17657	5.7
277.15576	2.3
303.03308	0.9
304.03821	10.1
319.06506	5.2
319.16644	100.0
320.16965	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	319.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55390	0.7
58.02705	0.8
58.02972	3.9
59.01381	3.1
71.01392	1.7
72.00925	5.1
72.53688	0.8
91.05542	22.5
113.02377	0.8
117.03462	2.5
118.06632	3.4
119.05036	2.4
126.09280	0.9
129.10356	64.0
130.10674	1.0
135.04535	2.7
143.57338	0.9
147.04541	24.7
153.10374	4.8
154.08762	10.2
164.07182	67.0
165.07530	2.5
171.11411	47.6
172.11833	1.5
178.60718	0.8
197.46410	0.8
216.13885	1.4
233.16602	43.0
234.16994	2.5
243.53448	0.8
257.04779	1.1
275.17657	6.8
277.15558	2.4
296.34793	0.9
315.96582	0.9
319.16623	100.0
320.16995	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	320.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83634	1.1
58.02982	15.4
59.01364	1.9
61.98835	15.7
62.15668	1.3
69.20171	1.3
70.16182	1.6
70.16491	1.6
71.01389	5.9
71.14417	1.2
72.00933	1.9
72.99326	2.1
74.02481	26.9
78.95905	6.0
82.02996	4.1
84.04562	1.8
85.02959	2.8
86.02474	9.2
87.05655	4.4
88.04038	2.1
93.03454	1.4
94.92515	3.2
96.04563	3.9
96.96938	2.5
97.04066	3.3
98.89239	1.2
99.05037	2.3
99.05649	30.3
101.07196	4.8
102.05618	4.6
108.90209	3.0
109.04074	5.8
110.89893	3.1
111.05663	1.8
113.02470	3.6
115.00383	2.8
123.05676	1.8
125.03558	2.6
126.04353	1.4
127.05148	6.2
128.03558	69.0
129.01944	1.6
129.03828	2.6
133.01456	2.6
135.05649	8.3
135.92133	2.5
141.06703	3.2
143.04634	100.0
144.05019	2.7
145.06226	6.9
146.04602	11.3
150.04176	1.8
153.06772	6.5
160.04045	1.4
166.09860	5.5
167.04617	4.4
167.08252	7.2
170.03288	3.0
171.04095	3.0
179.04648	25.4
181.06226	2.8
184.00270	3.1
185.05650	3.9
191.04988	6.4
192.07858	2.3
193.03612	2.4
197.05707	6.1
199.07315	1.3
205.06219	1.6
210.08878	21.4
210.10759	2.6
211.09282	1.3
246.89861	1.4
254.07863	35.4
255.08205	1.9
264.54630	1.4
272.08914	27.1
273.09155	1.4
274.95157	1.4
302.08240	9.5
316.98978	1.4
320.09256	39.9
321.06461	3.8
321.09781	2.4
325.18451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35727	1.1
58.02989	13.2
66.03481	2.2
71.01369	1.2
71.40865	1.1
72.00907	1.4
74.02483	23.2
81.04565	1.6
82.02990	2.5
84.26158	1.2
84.59502	1.3
86.02487	12.1
87.05648	6.8
88.04040	1.5
96.04568	2.5
97.04060	2.7
99.05657	28.1
101.07201	3.5
102.05614	2.9
109.04079	2.8
109.07667	1.4
111.05639	2.1
112.04062	3.0
121.68078	1.1
123.05676	2.5
124.04043	2.2
125.03577	2.7
126.04295	1.3
127.05162	5.6
127.07853	1.3
128.03558	67.7
129.03911	2.0
131.09200	1.1
134.02776	1.4
135.05696	6.2
137.07156	1.4
141.06717	3.5
143.04640	100.0
144.04976	2.9
145.06198	3.5
146.04605	9.4
151.82538	1.1
153.06731	5.9
155.08316	2.4
166.09882	4.5
167.04630	4.7
167.08260	4.7
170.03262	1.5
171.04114	1.9
173.98235	1.2
179.04649	21.3
181.06242	1.7
184.10904	1.3
185.05716	3.9
191.04967	5.6
192.07846	1.6
197.05690	6.3
210.08867	23.7
227.05150	1.2
228.09920	1.7
254.07845	32.7
272.08890	24.5
273.09351	1.9
302.08282	8.7
320.09235	40.9
321.09274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00218	2.3
55.01880	3.2
57.03447	3.1
59.01385	17.0
65.00344	3.9
67.01892	2.8
68.99819	6.4
69.03439	5.8
69.15862	16.3
71.01373	10.2
72.99316	100.0
73.02936	7.8
75.00855	3.4
79.95751	4.7
80.96516	8.9
83.01391	21.6
83.05045	6.7
85.02951	7.3
87.00874	9.6
89.02482	2.8
93.03458	8.5
95.01395	4.0
95.05041	3.8
96.96012	10.4
97.02946	3.4
97.06586	3.2
99.00890	6.5
101.02423	8.1
102.91048	2.7
105.03501	2.3
107.05018	5.6
109.02989	4.9
109.06602	4.4
111.00890	37.9
111.04521	5.4
112.98802	3.1
113.02448	4.8
115.00323	3.3
115.05542	2.8
117.03482	5.8
117.07109	2.7
119.05039	9.4
121.02975	4.1
121.06593	5.0
123.00866	5.3
123.04526	4.9
124.01692	5.5
131.05051	11.4
133.03021	2.5
133.06580	7.5
134.03764	6.2
135.04514	5.8
135.08186	5.0
137.02461	2.9
139.00381	28.0
143.03481	4.3
143.04968	4.6
145.02867	2.9
145.06598	10.2
147.04539	3.3
147.08165	7.9
149.06027	5.7
149.09746	3.1
151.00348	2.7
153.01904	5.9
157.01425	10.9
159.04474	5.0
159.08176	6.0
161.02472	4.0
161.06082	26.5
161.09749	5.0
163.04018	4.3
163.07611	4.9
171.02994	15.9
171.04367	4.2
171.08115	12.3
172.05299	2.8
173.06108	12.0
173.09807	3.2
174.03218	8.4
174.06778	3.7
175.03995	8.6
175.07652	6.7
183.02989	2.7
185.06030	3.1
187.03976	3.3
187.07658	11.7
187.11273	3.6
189.05626	13.7
189.09250	22.6
189.12883	10.2
197.06081	5.0
199.00792	3.2
199.02463	16.1
201.05615	3.9
203.07140	5.8
205.05087	2.9
205.12228	3.7
213.05553	4.9
215.07120	20.5
215.10735	9.0
217.04948	5.0
231.10173	2.6
233.04610	8.3
233.08226	18.1
233.11871	26.8
233.15465	4.1
241.05125	4.0
249.11411	3.2
259.06226	8.7
259.09750	4.6
259.13354	5.5
277.07187	16.3
277.10846	21.7
277.14392	7.1
285.04105	3.4
289.03745	2.7
303.05127	6.8
321.06149	33.9
321.09814	46.9
321.13495	21.1
321.16406	3.8
322.09998	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	321.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24607	2.5
56.12171	2.5
59.01380	11.1
59.49089	2.8
60.89892	2.5
61.98835	4.7
71.01400	32.7
72.99358	3.2
78.95914	8.8
79.77633	2.5
88.04046	54.7
114.01987	5.0
115.00388	57.8
132.03044	43.9
132.04539	4.7
144.04523	12.7
147.03334	3.0
148.04060	11.3
159.03271	5.1
160.04062	77.8
161.04691	4.1
162.05632	100.0
164.07184	4.6
168.17722	2.6
178.95082	3.3
178.97818	4.6
187.05144	6.0
188.03548	56.2
194.04680	3.2
205.06197	74.0
206.04695	16.4
206.06430	4.8
234.97079	4.5
277.08313	16.4
278.96194	6.0
281.41010	2.7
294.19821	2.6
294.95523	2.5
303.06235	11.6
321.07303	89.2
321.11246	4.8
322.07584	4.0
328.39383	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	321.1332
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
50.45893	0.2
62.49987	0.2
63.37646	0.2
68.02527	0.8
71.87954	0.3
76.10270	0.2
79.95741	1.0
80.96516	0.3
81.95340	1.0
82.60337	0.2
82.96119	0.6
95.05009	0.4
96.96001	0.8
106.98094	0.3
119.25613	0.3
121.23990	0.2
126.99618	0.4
156.65250	0.2
176.79221	0.2
180.41728	0.3
225.12823	0.7
226.13580	0.3
235.08820	0.3
239.08406	1.1
253.10022	0.3
255.17494	1.0
257.18073	0.3
261.03757	0.4
262.06561	2.1
263.05518	14.7
264.06061	1.0
265.04517	0.2
276.07724	0.4
277.07111	3.8
290.09402	1.9
291.08801	22.4
292.09427	7.1
305.10425	0.4
321.13605	100.0
322.13736	7.9
322.20004	0.6
324.08444	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01728	1.2
71.01386	47.3
72.01716	1.0
73.02949	1.4
75.25173	1.0
83.01405	1.2
85.02962	6.4
87.00845	3.0
89.02451	58.3
89.57445	1.1
95.01419	2.7
101.02444	26.9
113.02461	17.2
119.03513	25.8
131.03563	1.6
141.09236	33.1
143.03520	2.9
149.04567	2.3
161.04619	2.0
179.05609	4.7
267.82358	1.3
321.15540	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24215	1.0
59.01384	100.0
59.43645	1.0
69.14024	5.5
71.01385	3.7
77.62867	0.9
89.02462	5.2
101.02441	1.8
113.02463	1.9
119.03470	1.3
119.05036	4.3
171.33087	1.0
192.09050	0.9
243.10455	1.1
243.51584	1.1
285.04584	1.1
303.05038	2.8
321.15656	1.5
332.03699	1.1
339.16028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
56.67242	0.5
57.03444	1.1
58.00602	1.0
59.01387	100.0
60.01716	1.2
69.51897	1.7
71.01391	43.8
72.99313	1.4
73.02956	1.5
83.01398	3.1
85.02966	9.3
87.00917	0.8
89.02458	43.2
90.02818	0.7
95.01407	3.1
99.00864	0.7
101.02461	29.5
113.02464	16.0
113.09742	2.6
119.03522	20.7
119.04845	0.5
123.02812	0.6
131.03540	1.1
141.09241	11.8
143.03561	1.6
148.04384	0.7
149.04582	0.7
159.10306	5.6
161.04634	1.0
173.34006	0.6
178.80853	0.5
179.05664	1.5
231.76590	0.6
307.53549	0.5
321.09473	2.0
321.15570	84.6
322.15939	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	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01719	0.7
65.33511	0.8
67.53371	0.7
71.01389	6.0
71.44063	0.9
77.21380	0.7
78.95915	1.0
79.95754	0.9
85.02987	1.5
89.02451	6.7
90.30177	0.7
101.02445	4.2
106.45503	0.7
113.02487	2.2
119.03544	3.2
119.05015	0.9
129.82881	0.7
179.05603	0.9
199.08868	0.8
244.17026	0.9
283.60056	0.8
321.20892	1.8
322.13312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54522	1.6
61.12670	1.4
63.24784	1.4
64.99736	1.5
66.64677	1.3
71.40652	2.0
79.95727	2.9
80.96524	6.4
96.96017	100.0
142.43378	1.4
159.47081	1.9
321.21045	71.2
322.21298	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2439
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
63.57719	4.5
67.89031	4.3
69.02128	4.1
78.95924	5.7
79.95779	4.6
80.96523	22.8
90.91415	4.1
124.45367	4.0
139.35260	4.6
143.48581	4.6
160.75746	3.8
223.17070	17.8
232.75262	4.1
251.16505	11.8
303.23245	14.0
321.20959	11.8
321.24368	100.0
322.24530	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	322.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.4
60.52275	0.7
70.93457	1.1
71.01392	2.2
72.00916	24.5
77.19899	0.7
78.95911	1.5
81.42760	0.8
87.40532	0.7
89.02464	1.2
91.05552	2.7
101.02424	1.5
103.05527	1.6
108.66404	0.7
113.02451	0.9
119.03547	1.5
122.02551	4.0
141.98212	6.6
147.04538	59.9
148.04868	2.5
156.91338	0.7
160.04076	0.7
164.07176	100.0
165.07573	4.4
174.99277	1.9
187.98813	7.9
220.45837	0.7
229.99918	2.1
250.53339	0.7
292.12939	0.8
322.06094	82.9
323.06293	5.2
323.13416	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	322.0721
Annotation	Oxosarcocapnidine
Peak:m/z	Relative Intensity
62.19758	0.4
63.38792	0.4
65.00291	1.0
65.99815	1.1
67.79668	0.3
68.99825	2.5
69.81890	1.0
70.02953	0.4
78.03477	0.4
78.85245	0.3
82.02989	5.8
88.88634	0.3
90.03471	0.9
94.02946	0.6
94.50497	0.3
96.04557	3.2
101.03963	0.4
102.02903	0.3
102.03503	4.1
106.02995	16.4
107.03275	0.4
108.00226	0.4
108.00919	6.9
117.03522	0.4
118.02231	0.5
118.03001	9.3
119.03291	0.3
120.04524	0.9
121.02959	0.4
122.02487	0.4
126.02007	3.1
130.03001	26.9
131.03857	2.5
134.02489	1.5
136.04027	0.3
146.02492	19.4
147.03363	1.9
148.04059	3.2
150.01979	15.6
151.02251	0.6
156.04491	0.5
159.03214	1.1
162.01990	2.0
164.03502	0.5
168.08170	0.6
171.04524	8.0
174.01976	37.1
175.02483	1.8
175.99850	0.9
180.08167	0.6
186.02005	0.6
187.02763	6.9
189.00629	1.0
190.01494	3.4
192.03049	2.2
192.08173	1.1
200.03545	6.3
204.08246	0.4
207.06831	0.4
208.07687	3.2
212.07242	0.4
215.99561	0.4
216.08034	0.3
218.00989	5.9
219.01601	0.5
222.09357	0.4
231.01865	0.3
232.07637	1.2
234.05673	0.4
234.09204	2.6
236.02129	0.4
236.07179	14.9
237.07443	1.1
238.05084	0.4
250.08722	7.2
251.09149	0.7
252.06602	1.0
260.07111	1.9
263.05865	0.6
266.08160	0.6
276.06686	0.6
278.08240	100.0
279.08600	8.2
279.11600	0.5
280.06134	0.8
294.07751	6.9
295.07925	0.5
322.07239	40.5
323.07990	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	322.0724
Annotation	Oxosarcocapnidine
Peak:m/z	Relative Intensity
59.01371	0.6
62.00393	0.5
64.01923	0.9
65.00330	0.7
65.99851	16.6
69.08250	2.0
69.08665	1.4
88.01913	0.9
89.99879	0.6
90.03524	0.7
99.00822	0.6
108.00915	1.5
109.93343	0.5
118.02997	1.9
120.00930	1.5
121.02953	1.1
122.02518	1.1
130.03046	0.9
132.00949	1.7
133.01706	0.8
134.02528	2.7
135.02864	0.5
146.02495	4.4
147.03329	1.0
148.00394	0.9
150.01971	1.8
150.16443	0.6
161.01225	0.7
161.02454	0.6
162.01970	3.8
163.02676	0.6
165.58180	0.6
171.04530	1.3
174.01993	7.5
175.02701	1.8
175.99916	13.6
177.00240	0.9
177.74139	0.6
184.68932	0.6
187.99886	0.7
189.00694	2.3
190.01483	5.6
191.02205	1.0
199.18192	0.6
203.02232	0.9
208.07521	0.8
209.04527	0.8
218.00961	41.2
219.01320	1.7
231.01836	1.3
236.01863	0.9
238.05142	1.1
238.08923	0.6
252.06703	3.5
266.08212	1.3
280.06161	11.2
281.06622	1.2
294.07697	10.8
295.08182	0.6
307.05203	0.8
322.07220	100.0
323.07620	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	322.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25474	0.9
69.78165	3.1
79.55012	1.2
82.98621	0.8
84.48958	0.8
98.06148	1.6
100.07694	1.9
112.06961	1.7
112.07703	27.2
113.07974	1.0
121.02972	94.1
122.03290	3.9
128.07193	100.0
129.07494	3.3
156.06686	18.0
199.93195	0.9
250.10825	3.8
268.59030	1.1
311.51160	1.0
322.09497	1.9
323.11102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01378	0.4
68.02545	70.7
69.02876	0.4
69.61423	0.8
69.61801	0.9
78.95925	0.4
82.04110	1.6
82.75095	0.4
85.90331	0.4
95.05038	1.1
96.17359	0.4
96.96019	0.6
99.08170	100.0
100.08517	2.2
125.09732	1.2
130.08698	0.4
137.10858	0.7
147.98109	0.4
151.07642	0.9
152.07996	0.6
164.00400	0.7
165.01060	0.9
166.09830	0.6
171.10307	0.4
176.51399	0.4
209.60942	0.4
219.44231	0.4
221.07368	3.7
239.08423	1.5
249.19305	0.4
255.06613	0.7
322.13281	0.4
322.17285	1.0
323.15155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2027
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.26750	0.3
55.74800	0.3
56.12885	0.3
58.02981	1.6
62.09164	0.3
70.73463	0.6
81.03464	0.8
86.13483	0.4
89.44054	0.3
95.05028	0.5
97.06592	0.4
109.06586	0.6
128.07236	0.3
128.10831	8.1
130.08749	100.0
131.09109	2.5
146.02484	2.0
150.01944	0.4
162.01970	0.4
163.00429	0.4
165.12845	0.6
171.04552	0.4
172.09805	0.5
174.02003	0.7
190.01509	1.6
198.36992	0.3
200.66733	0.4
218.00978	3.1
218.99335	0.4
252.06831	0.5
278.08221	1.1
294.07758	1.3
295.06049	0.3
322.07303	6.6
322.20239	28.5
323.05661	1.1
323.20703	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	323.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.9
59.01383	24.4
63.82141	0.9
64.07010	0.9
65.99823	1.2
67.01915	4.8
67.03019	29.3
68.66936	0.9
71.01382	5.4
71.41446	1.2
85.02941	1.2
89.02441	3.5
92.01418	4.1
93.03441	1.0
96.95996	1.1
97.02957	0.9
101.02444	2.7
105.03462	1.1
105.04593	2.9
106.05372	5.8
107.06140	3.7
109.02959	1.0
113.02427	1.8
117.04642	1.0
119.04995	1.0
130.04405	1.3
130.05362	5.1
131.06160	14.7
132.03262	1.6
133.04092	100.0
134.04420	2.7
145.06621	13.9
147.05632	1.7
149.02425	1.2
160.06406	6.6
161.02441	1.9
161.05940	2.0
161.07214	20.8
165.00674	0.8
167.03491	2.0
171.04472	1.4
173.07249	17.0
173.09605	1.4
174.07567	1.0
175.05142	1.5
175.07376	1.3
175.08786	14.2
176.03496	3.6
177.01913	2.0
189.06729	31.4
190.07149	2.3
191.10815	1.3
201.24323	0.9
203.08290	13.7
206.22960	0.9
211.07576	6.9
218.74294	0.8
219.62019	0.8
220.02527	1.4
224.06544	1.0
226.08781	2.5
235.09555	1.2
235.13400	2.7
237.10336	2.7
253.08798	1.1
261.10355	0.9
263.07208	0.9
265.18506	0.9
279.11429	7.8
306.07681	1.0
323.10437	10.6
324.08755	7.9
324.12384	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	323.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.7
59.01384	58.0
63.95215	0.7
67.01881	2.3
67.03017	14.1
71.01395	10.1
72.99316	2.0
73.02953	1.5
73.90320	0.6
77.91460	0.7
78.64221	0.7
83.01376	1.0
83.04999	1.2
83.47668	1.0
86.20231	0.8
89.02449	8.3
92.01433	2.1
93.03459	1.2
94.82623	0.7
96.95979	0.9
99.04523	0.8
100.05559	0.8
101.02455	7.4
105.04607	1.5
106.05382	3.2
107.06150	1.5
109.02988	1.2
109.06616	1.0
119.05025	1.9
123.04539	1.4
123.08162	0.9
130.04306	0.8
130.05336	1.9
131.06174	10.0
132.03310	1.3
133.04097	48.9
134.04504	0.8
135.04565	0.9
135.08147	0.9
145.06599	7.0
145.07661	1.5
146.04855	2.4
147.08182	1.5
149.09666	0.7
149.75516	0.7
151.04251	0.7
160.06430	17.4
161.07222	70.2
162.07550	2.4
167.03540	2.2
171.04553	1.3
173.07303	7.0
174.07713	1.0
175.08774	44.0
176.09099	2.3
177.02005	0.9
189.06714	100.0
190.07050	5.7
191.10793	2.2
191.14392	1.1
192.95880	0.8
193.29701	0.7
199.11209	0.8
203.08282	40.9
204.08575	1.9
211.07620	3.2
217.12355	1.4
220.02562	1.0
229.09917	1.4
235.06076	1.2
235.09685	1.5
235.13313	3.8
237.10361	1.0
242.53871	0.8
261.10962	1.4
272.65649	0.8
279.08887	1.1
279.11874	4.6
279.15817	0.8
295.12738	0.8
305.11328	1.1
306.07635	0.9
323.07138	1.6
323.12488	25.1
324.08737	4.2
324.12494	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18977	0.8
55.01881	1.1
57.03455	1.5
58.00583	1.4
59.01386	100.0
61.22422	0.9
69.45630	0.9
71.01391	41.3
72.01720	0.9
72.99329	1.5
73.02967	1.3
83.01397	1.9
85.02972	7.7
87.00848	0.9
89.02456	50.0
95.01397	4.0
101.02448	25.8
102.88786	0.8
103.06760	0.9
112.55023	0.8
113.02467	15.7
119.03516	21.4
131.03516	1.5
135.79198	0.9
143.03474	2.6
143.07224	1.0
145.21194	1.0
149.04535	1.0
158.65031	0.9
161.04538	1.9
161.08211	1.3
179.05621	3.4
186.19710	1.0
230.63124	0.9
263.16788	1.0
323.13492	73.6
324.13962	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.0
59.01385	100.0
60.01715	1.5
66.98563	1.1
70.92901	1.3
71.01386	17.7
71.04819	1.0
72.99298	1.1
73.02950	2.3
76.31094	1.0
78.95881	2.1
83.01395	1.4
85.02951	4.6
89.02457	20.2
95.01448	1.4
101.02452	9.6
113.02444	6.9
119.03507	10.7
121.02979	2.9
121.58935	1.1
143.03455	1.1
143.07133	3.5
148.04886	1.6
161.04587	2.7
165.01965	1.6
165.07564	1.6
179.05557	4.9
187.10919	1.2
212.15266	1.0
221.16646	1.2
323.06461	1.8
323.13486	42.1
324.13913	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	323.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55525	1.8
57.03462	15.4
59.01366	4.4
59.05322	1.6
69.03445	1.6
69.17184	1.5
69.37620	7.0
73.02953	1.5
79.95746	1.7
81.03470	3.0
83.05029	4.0
91.01899	1.6
93.03448	1.6
95.05039	49.3
96.05349	1.8
96.96011	3.6
97.06599	12.3
101.52611	1.6
107.29868	1.5
109.06587	11.9
117.03448	2.5
119.05015	3.8
121.02946	1.8
121.06622	1.7
122.03757	1.5
123.08160	4.3
125.06071	5.3
125.09732	30.7
135.08177	33.1
137.06096	1.5
137.09767	1.9
139.11269	1.4
139.87555	1.5
140.66702	1.4
163.11349	9.6
165.32338	1.5
179.14407	10.1
183.10315	2.7
185.11821	14.7
188.08887	1.5
197.11864	4.8
207.10243	7.5
209.11829	15.2
211.13472	3.0
223.13414	100.0
224.13763	6.1
235.13380	2.0
242.61882	1.5
243.17581	1.8
247.13228	1.6
253.04895	1.8
260.07416	1.4
263.16428	4.2
265.14465	44.6
266.14798	2.8
283.05392	2.0
287.16446	5.9
305.17587	32.8
323.18674	10.2
324.05225	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	12.9
59.01385	6.9
69.03465	4.5
69.86196	5.2
69.86564	5.0
71.01377	4.3
71.05040	13.9
78.95908	2.8
79.02878	2.7
80.02663	2.8
81.03466	7.4
83.01390	17.9
83.05034	10.4
84.02180	2.5
95.05025	32.4
96.96021	10.2
97.02966	4.4
97.06601	20.4
105.22663	2.6
107.05067	4.8
109.06615	6.5
111.04536	3.8
113.06085	5.4
115.74184	2.3
121.02966	2.8
121.06647	4.1
123.04544	9.4
123.08190	8.9
125.06072	3.6
125.09724	28.0
127.32101	2.1
135.08159	14.8
137.09750	3.6
144.42023	2.7
149.09747	2.8
153.09207	5.7
161.09758	2.5
163.11259	12.6
165.12889	4.9
167.10791	5.1
171.10281	4.6
175.11200	2.8
177.12785	3.5
181.12402	4.8
185.11839	20.3
189.12866	4.5
191.10825	6.4
203.14459	7.0
207.10306	2.7
209.11833	100.0
210.12184	5.4
211.13431	6.1
237.14966	39.5
243.17537	7.6
247.13460	10.4
249.14906	5.4
253.05098	3.2
265.14465	27.0
287.16525	15.2
305.17603	32.4
305.21005	4.8
306.18118	3.4
323.15274	9.4
323.18658	39.6
324.05228	8.1
324.19125	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	323.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.9
59.01383	7.0
59.15937	4.8
64.09200	4.8
64.75337	4.8
65.88864	5.7
67.53591	4.5
69.28816	24.7
71.05020	18.9
74.55278	5.2
83.05030	12.2
84.02174	8.5
95.05053	44.7
95.90935	4.8
96.96021	14.8
97.06586	9.1
98.21935	10.8
105.07078	5.5
113.06116	18.4
117.03481	8.1
123.08177	12.1
125.09747	9.3
130.08748	100.0
131.09090	50.9
135.08168	8.2
151.07703	7.5
153.09305	5.1
163.11263	7.3
171.10239	52.9
185.11777	14.7
199.45537	5.3
200.78928	5.3
201.11409	7.5
209.11844	27.7
239.49164	5.2
265.14438	8.6
276.84927	5.5
287.16479	9.3
305.17636	21.5
323.09271	9.4
323.15094	7.8
323.18744	78.2
324.05005	16.3
324.18982	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	323.223
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.18601	1.6
51.65142	1.7
53.44781	1.7
57.03444	2.5
64.06946	1.9
64.56340	1.9
69.15416	10.6
71.05016	8.4
87.23832	2.0
97.06646	2.9
103.38803	2.0
119.08685	4.6
121.10227	17.1
123.08172	2.4
125.09695	10.7
137.09735	22.4
148.08928	3.6
149.09729	7.1
151.11316	3.1
171.10278	28.3
185.11827	20.8
188.38553	1.9
197.11781	5.5
211.13313	2.0
217.15930	5.9
247.20692	2.3
273.18576	6.8
291.19696	100.0
292.19897	6.6
305.21234	37.0
323.22290	55.6
324.22586	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01384	1.5
66.94913	1.2
79.39045	1.2
79.95768	2.7
96.96017	22.6
117.03495	1.4
123.04519	1.5
165.12848	2.2
183.01247	3.1
192.22684	1.5
197.02832	11.3
198.03535	7.4
223.04260	1.5
230.02441	1.7
237.06012	1.3
251.07404	2.1
259.77280	1.2
261.22324	3.1
265.14792	28.0
266.15091	1.8
293.12289	2.7
305.21234	79.8
306.21637	5.1
323.16864	100.0
323.22284	16.8
324.05078	2.6
324.17227	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	323.2595
Annotation	11(S)-HEDE
Peak:m/z	Relative Intensity
52.49919	1.0
55.74829	1.2
57.84356	1.1
59.01379	2.6
60.83500	1.0
62.98772	1.2
69.91058	3.6
71.76987	1.1
80.40562	1.0
87.97211	1.3
99.44695	1.1
113.09724	1.7
171.89418	1.0
173.34164	1.1
199.13451	17.4
223.17044	10.5
305.24902	35.9
306.25214	4.2
323.16928	12.2
323.25940	100.0
324.05176	1.8
324.17160	1.5
324.26401	11.7
343.09018	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	324.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37224	0.4
59.01381	1.3
65.00317	0.9
69.88618	0.8
69.88947	0.9
73.98715	0.4
75.55152	0.5
78.95921	2.4
91.01903	20.9
92.02209	0.7
93.03426	0.7
95.01392	0.6
100.98974	0.5
112.59570	0.5
115.01881	1.0
117.03474	17.0
118.03815	0.8
119.01385	3.9
130.07564	0.5
133.03015	2.4
135.00899	34.3
136.01227	1.4
153.01970	1.0
159.00914	1.7
161.02484	4.3
162.01970	1.7
163.00372	0.9
167.56653	0.5
178.01462	0.8
180.05769	0.5
185.02400	1.3
187.00401	1.4
195.04539	1.2
196.05415	0.5
197.06117	1.3
208.05280	0.8
209.06064	2.1
211.03931	0.8
223.04050	1.1
224.04836	0.7
225.05591	7.5
235.04044	3.1
237.05588	1.3
239.03539	0.5
251.03592	2.3
253.05081	24.8
254.05409	2.0
255.02907	0.6
268.06152	1.5
278.04663	1.0
279.03009	1.9
281.04578	13.4
281.09207	0.5
282.04941	1.3
296.05692	5.7
307.02585	1.9
324.05148	100.0
325.05496	7.4
325.10825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74922	1.2
62.83360	1.2
64.01915	2.2
65.00319	9.4
65.99831	1.7
67.01891	1.3
69.34377	1.8
69.34777	4.3
79.95755	1.4
81.03437	1.5
98.22718	3.0
98.54700	1.5
101.02472	2.7
105.03476	2.9
108.00928	28.2
109.03000	3.9
117.03536	1.8
118.02902	1.3
121.03011	2.5
121.95117	1.4
131.01395	1.8
133.03000	3.8
136.00414	75.0
148.04079	5.4
162.01924	15.7
163.99913	94.3
171.04587	2.3
173.06140	1.6
176.03552	4.4
177.00670	1.8
177.02002	5.1
178.01454	2.7
191.99408	37.5
193.00128	8.3
193.06680	3.1
209.06129	3.4
210.05626	2.4
219.98885	22.1
220.02596	6.1
225.05690	1.7
236.07295	4.5
237.05663	2.9
237.09377	2.2
253.08711	2.4
254.04587	9.7
268.06250	4.4
278.95853	1.3
280.06232	4.8
281.08578	2.7
282.04233	5.1
296.05783	8.7
296.08963	1.8
306.07944	1.9
324.05215	100.0
324.08838	21.0
325.05869	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	324.0515
Annotation	Aristolochic acid II methyl ester
Peak:m/z	Relative Intensity
59.01368	0.9
65.00336	0.9
71.01414	0.6
71.18188	0.5
73.00817	0.6
89.04036	0.6
90.03505	1.4
91.01911	3.0
93.03448	1.6
96.96027	1.7
98.21769	0.7
115.01910	3.1
117.03481	55.8
118.02996	1.5
118.03828	1.6
118.98104	2.0
119.01421	1.9
119.05037	0.7
133.02954	3.8
134.02496	1.2
135.00951	3.9
135.04564	0.7
138.02011	1.8
145.02914	0.6
147.04512	0.5
153.03482	1.6
159.00888	8.7
159.04539	0.8
161.02477	6.9
162.01924	3.2
162.08736	0.6
163.00357	1.8
163.99907	1.3
166.74245	0.6
167.05057	0.7
177.01949	1.9
178.01498	2.5
180.05833	0.8
185.02426	5.2
187.00407	4.7
195.04471	3.1
197.06107	1.4
198.21349	0.6
201.05519	0.8
204.03026	1.1
206.01016	0.7
207.04547	1.8
208.05324	0.8
209.06151	3.0
211.04066	1.0
213.05525	1.0
223.04063	5.4
225.05618	1.6
226.06151	0.6
234.03180	1.5
235.04024	7.1
237.05594	1.6
239.03653	0.7
250.02698	1.0
251.03520	8.5
253.05098	10.8
254.05568	0.8
263.03531	1.7
264.03967	0.7
269.04431	0.7
278.04550	1.9
279.03088	6.4
281.04620	8.3
281.11804	2.2
296.05664	19.9
297.06171	0.8
307.02469	12.1
324.05157	100.0
325.05429	7.8
325.10886	3.8
325.20346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0878
Annotation	N-Hydroxyovigerine
Peak:m/z	Relative Intensity
55.01866	1.1
57.48324	1.1
63.14866	1.2
68.99822	2.6
69.13103	5.9
75.02426	1.4
77.03972	1.5
81.03465	5.4
89.03996	3.3
90.03512	2.5
91.20257	1.1
95.39128	1.3
98.22636	2.0
99.72292	1.1
105.03458	18.3
107.01400	2.2
109.02963	14.8
121.02953	2.2
123.04559	3.7
131.01398	8.2
133.02974	23.7
134.02486	2.6
135.00876	3.5
147.00969	1.3
147.04608	1.3
148.04095	2.3
149.01440	1.2
149.02426	7.0
152.03543	3.5
158.02483	3.2
159.00949	1.3
164.03587	1.5
171.04518	12.1
176.03549	9.8
177.01945	38.9
178.01393	9.6
190.02895	1.3
193.06451	1.4
193.10201	1.9
195.08208	1.8
202.01498	4.2
202.99901	10.1
207.08138	2.1
209.09709	4.2
216.00655	5.3
218.04510	1.8
219.08179	4.1
220.02489	8.6
235.07660	3.7
237.09158	10.5
253.08740	4.3
262.09042	1.3
263.07114	6.7
275.74802	1.3
278.08490	1.4
279.06573	1.6
281.08142	14.6
306.07697	9.9
307.06061	4.2
324.08795	100.0
325.09326	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	324.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	2.6
77.03965	1.3
80.02493	1.1
81.03461	4.9
86.63054	1.0
89.03969	2.4
90.03473	1.5
93.56788	1.0
95.05033	1.6
98.22630	4.9
101.03987	1.1
105.02812	1.7
105.03471	22.2
106.97337	1.0
107.01392	3.0
108.04552	1.9
109.02957	14.2
115.05533	1.0
121.02975	2.0
123.04535	4.6
124.03961	1.1
130.02988	1.4
131.01410	8.5
133.02980	21.7
134.02499	2.5
135.00932	5.6
147.00946	2.4
147.03300	1.1
147.04471	1.5
148.04051	1.8
149.02464	5.1
152.03554	5.7
158.02519	6.7
159.00963	1.4
162.03215	1.5
163.54344	1.1
171.04530	11.3
176.03526	7.2
177.01941	42.4
177.03514	2.1
178.01320	7.9
181.10231	1.1
187.02916	1.1
190.02760	1.8
192.02892	1.1
195.08224	2.8
202.01454	6.3
202.99893	7.5
207.08223	2.0
209.09735	4.1
216.00642	4.5
218.04504	1.9
219.08144	3.1
220.02594	9.3
222.06793	1.2
233.06157	1.3
235.07594	5.8
237.09190	9.6
238.09416	1.7
239.07133	2.3
253.08762	5.5
262.08725	2.5
263.07098	7.2
264.06845	2.1
278.05698	1.9
278.08368	1.5
279.06601	1.9
281.08197	15.0
282.08731	1.8
295.85629	1.1
305.86060	1.2
306.07788	10.4
307.05896	6.7
324.08786	100.0
325.09171	5.4
338.68796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23984	0.6
50.80042	0.7
65.95980	0.7
68.99818	9.7
69.04508	4.1
69.04916	1.7
75.02396	0.9
79.05538	0.9
81.03474	1.8
91.01915	1.4
91.23193	0.8
98.22625	2.2
101.03986	3.0
105.03473	10.0
107.67303	0.8
108.02155	1.0
108.04588	1.1
109.02985	5.5
117.03460	1.4
119.01400	1.4
123.04534	2.1
124.04050	1.2
133.02965	1.6
135.00851	0.9
137.02466	1.9
143.05011	0.8
145.06642	1.1
145.24794	0.8
147.00887	8.1
147.04500	3.6
148.01677	1.3
148.04037	2.1
149.02451	10.7
152.03564	3.2
161.02496	0.9
162.03223	3.0
171.04532	55.1
172.04878	2.2
173.06023	0.9
175.00385	2.2
175.04056	1.0
176.03543	1.1
177.01917	1.6
178.01439	2.3
178.07979	0.9
179.08728	1.3
191.08702	2.6
206.07402	0.8
207.08202	5.8
209.09721	1.5
211.07773	1.0
216.00638	2.2
219.08151	1.2
222.06950	0.9
233.06146	4.6
234.06868	1.4
235.07625	6.6
237.09213	1.6
250.06430	1.1
251.07097	5.0
253.08713	10.7
254.09001	0.8
263.07123	6.1
266.05826	0.8
278.05820	10.6
278.08478	1.4
279.06537	8.2
281.08212	27.4
282.08505	2.3
296.09351	5.4
306.07767	2.1
307.06073	13.1
308.06485	1.2
324.08789	100.0
325.09161	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	324.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73707	2.0
69.53181	9.7
75.91682	2.7
79.95752	3.9
98.22630	4.5
105.03474	2.6
117.03602	2.1
133.02975	4.6
136.00488	2.9
145.02908	2.9
148.04144	3.7
149.02446	2.5
171.04471	4.0
176.03462	2.5
177.01970	6.8
193.06587	5.6
197.51900	2.5
200.00166	2.3
210.52498	2.4
211.01411	10.5
219.04590	5.1
220.02507	5.4
221.06131	8.5
227.26494	2.1
237.09323	6.8
249.05589	9.2
250.99266	3.6
253.08870	4.7
264.06589	3.2
267.06546	4.3
281.08206	11.8
284.03241	14.1
284.53406	3.4
324.05417	5.0
324.08777	100.0
325.09219	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	324.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81392	4.1
62.34613	3.6
74.10265	3.4
92.13828	3.2
110.86179	3.4
179.35657	3.4
183.01241	36.3
184.01973	6.3
189.82776	3.3
219.45427	3.5
232.01627	2.9
277.72437	3.6
324.05081	6.2
324.20721	4.4
325.18408	100.0
332.21228	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	324.9818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97563	2.7
60.40143	0.4
62.15432	0.5
74.99097	9.1
93.81033	0.4
96.96017	25.0
115.56450	0.4
118.98099	100.0
119.98451	1.0
137.79773	0.5
143.33612	0.4
164.04488	0.5
172.10168	0.4
172.76083	0.5
210.89926	0.5
297.14355	0.5
324.98203	1.5
325.16925	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	325.072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	1.8
69.07614	1.4
69.08038	2.6
69.66448	0.6
74.28560	0.5
85.67575	0.5
91.01919	0.7
92.99823	5.7
95.01419	0.8
95.03988	0.5
105.03419	0.6
120.99322	2.4
121.02971	1.0
123.15438	0.6
136.01678	1.7
136.98814	2.3
145.02969	11.5
149.02429	0.5
149.24675	0.5
149.99599	1.4
151.04051	0.8
153.07114	0.7
164.01138	1.3
167.05016	2.3
171.04529	16.5
172.04875	1.0
177.02049	0.6
177.99138	0.8
179.03510	2.6
179.08423	0.5
181.06541	0.9
190.99908	1.0
193.06589	6.2
195.04504	3.1
208.05309	0.7
208.36830	0.5
209.06084	6.2
211.04031	13.3
221.00940	2.2
237.05562	5.9
239.03511	49.4
240.03899	3.1
252.04370	0.8
253.05078	2.9
255.06586	3.7
265.05017	1.0
266.05859	1.9
267.03000	100.0
268.03326	6.5
277.77255	0.7
281.04584	16.4
281.07797	1.0
282.05292	6.1
282.08194	1.2
285.07809	0.9
293.04602	8.3
294.04996	0.7
295.06207	1.5
296.06995	2.8
297.07654	1.0
310.04840	24.4
311.05231	2.1
314.04260	1.5
325.06787	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	325.072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	10.9
68.08099	6.1
68.99829	16.3
71.41393	5.8
91.01896	6.5
92.61647	4.7
92.99805	5.9
95.01401	20.6
95.06783	5.4
101.03994	7.1
105.03471	30.4
109.02978	45.0
119.05070	9.0
123.04533	11.8
133.02971	56.3
135.00914	7.4
137.02437	6.0
149.02417	15.8
151.05551	8.6
153.01965	64.9
163.00398	7.1
165.07056	6.7
171.04532	88.1
172.04929	13.9
177.01970	27.5
180.03030	5.2
193.06589	18.7
193.10295	6.6
206.00948	6.2
207.08109	9.3
209.06126	7.4
209.09746	21.4
219.08145	18.2
221.00891	49.4
221.06042	22.5
231.15836	5.3
235.07651	10.3
237.09216	58.0
238.09627	7.7
239.03461	17.5
241.10538	7.2
249.05521	11.8
253.08694	12.8
263.07150	18.6
265.05045	46.3
267.03000	26.0
276.69250	5.8
280.06665	5.6
281.08118	100.0
282.08505	25.5
293.04401	24.8
325.07278	51.8
325.14749	10.8
326.06784	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	325.0932
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
51.37580	0.4
52.64972	0.5
53.22764	0.5
57.42737	0.4
59.01394	3.0
69.26111	2.3
73.03992	0.5
74.96436	0.6
78.95901	4.1
81.57914	0.4
85.02994	0.6
87.78573	0.4
89.02473	0.6
96.96024	7.4
110.94110	8.5
112.93822	2.0
114.05627	6.3
117.03508	1.2
118.89980	2.2
119.05038	100.0
119.90066	0.5
120.05355	3.7
120.89700	1.3
134.89468	1.6
145.02971	0.8
150.19426	0.5
161.06133	0.5
163.04022	75.8
164.04395	2.8
168.94591	0.7
169.27513	0.5
174.84062	0.6
179.89272	0.7
182.87094	1.0
204.92319	11.4
206.92012	2.1
211.14523	0.8
212.88197	3.5
214.87863	0.9
228.17090	0.5
231.83698	2.7
243.17159	1.0
247.37791	0.5
265.07422	0.6
281.04657	0.6
325.13901	1.3
325.81976	0.7
334.02502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
59.01389	6.7
59.59623	0.5
65.99857	0.5
69.60448	1.0
69.60825	1.1
71.01389	3.1
73.02948	0.6
76.60342	0.6
80.85839	0.6
85.02959	0.8
85.57355	0.5
89.02450	3.2
95.01408	1.1
96.95982	0.7
97.06773	0.5
98.21940	0.9
101.02467	1.0
110.94107	0.9
113.02461	1.3
114.05614	7.6
117.03478	22.8
118.03749	0.6
119.05039	6.6
123.04535	1.6
145.02965	100.0
146.03293	4.3
161.02388	0.6
161.06081	1.6
163.00385	0.8
163.04013	6.6
167.03503	1.8
181.13470	0.8
183.14964	0.6
187.04005	2.7
204.92291	0.9
205.05051	1.8
211.14473	1.3
265.07181	2.2
325.02820	2.3
325.09506	5.0
326.20892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
56.82510	0.9
57.03438	1.4
58.00602	1.0
59.01385	100.0
60.01724	0.8
60.93544	0.7
61.98837	10.3
69.03447	2.0
70.11364	0.7
70.84223	1.6
71.01386	45.1
72.80634	0.7
72.99306	2.0
73.02954	6.8
78.95905	0.8
83.01388	3.5
85.02960	14.5
85.34509	0.7
86.00128	1.1
87.00905	4.1
89.02454	38.1
95.01427	3.1
97.02967	6.4
99.00916	1.8
101.02455	35.7
108.11245	0.7
113.02464	18.6
119.03517	18.7
125.87315	1.7
131.03539	4.2
134.04732	7.0
142.09210	0.8
143.03540	3.1
147.04591	1.3
159.03000	1.3
161.04562	10.0
161.05678	0.9
163.04352	1.5
164.07170	2.0
179.05682	1.8
196.65807	0.8
221.06734	3.2
226.19289	0.7
244.13029	0.8
265.12912	5.2
301.45966	0.7
325.03555	2.9
325.09744	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	325.1083
Annotation	Moracin O
Peak:m/z	Relative Intensity
54.26424	0.6
55.55126	0.6
61.84022	0.5
62.46038	0.5
62.88929	0.5
63.12870	0.6
69.17366	3.7
93.03460	1.1
95.40908	0.5
98.22713	1.0
118.96732	0.6
119.05054	1.5
121.02974	1.0
132.39957	0.5
135.04562	1.1
145.02936	0.8
148.19691	0.6
159.04498	0.7
159.31140	0.5
161.02419	0.6
172.32852	0.6
173.02475	1.1
179.71507	0.5
183.08369	0.6
188.04903	1.1
193.06651	0.9
195.04546	2.0
195.08107	2.7
196.05363	2.1
197.06053	1.1
205.06416	0.6
207.04666	0.8
209.06129	1.6
210.06812	0.9
211.04051	1.2
211.07661	3.2
221.06068	3.8
222.06847	1.3
223.04047	1.5
223.07616	2.8
224.04710	2.3
225.05516	1.5
232.05467	0.9
237.05579	9.3
238.06277	4.2
239.07137	7.2
248.04817	1.9
249.05563	8.6
250.06177	2.1
251.03586	3.2
251.07124	2.4
252.04250	1.4
265.05124	2.3
266.05814	4.0
267.06641	33.4
268.06961	3.1
277.05084	3.6
278.05844	0.8
279.06665	3.2
280.07211	0.6
281.08286	1.9
294.05350	1.5
294.08762	0.9
294.45770	0.7
295.06143	100.0
296.06464	7.7
309.07767	3.8
310.08493	65.3
311.08786	5.0
325.10834	79.0
326.11166	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	325.1086
Annotation	Moracin O
Peak:m/z	Relative Intensity
59.01126	0.7
59.01382	6.8
61.76408	0.7
67.06656	0.6
93.03420	1.3
117.03435	2.2
117.14157	0.5
118.98111	0.8
119.04980	1.9
121.02953	1.0
132.58319	0.5
133.02985	0.9
135.04472	0.9
135.08165	0.8
138.01964	0.8
145.02927	1.1
159.04451	0.8
167.08720	1.1
171.10254	1.4
173.02411	1.6
183.08163	1.0
185.83916	0.6
187.03944	1.2
189.05551	0.8
193.06564	0.9
193.96140	0.7
195.04497	2.1
195.08157	2.8
196.05220	2.1
197.06020	2.0
206.01042	1.3
209.06050	2.4
210.06851	1.0
211.03984	1.4
211.07617	3.4
212.04770	1.1
219.04530	0.8
220.05310	1.6
221.06082	5.0
222.06776	1.7
223.03978	2.5
223.07623	5.0
224.04787	3.5
225.05522	1.3
236.04958	0.8
237.05576	12.8
238.06177	3.9
239.07149	9.3
240.07541	0.8
248.04822	2.4
249.05598	10.3
250.06303	3.7
251.03564	4.0
251.07137	2.4
252.04211	1.2
253.04887	0.6
265.05118	4.1
266.05734	4.4
267.06644	41.5
268.06961	2.9
276.04367	0.7
277.05032	3.5
278.05725	1.8
279.06705	3.6
280.07373	0.9
281.08151	2.8
282.09097	0.6
294.05450	1.5
294.09039	0.8
295.06140	100.0
296.06464	8.9
307.19226	1.3
309.07791	3.8
310.08499	70.3
311.08862	5.7
325.10840	98.9
325.19727	3.9
326.06760	2.2
326.11121	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	325.1085
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
50.85280	0.6
59.01385	0.9
64.31100	0.6
71.41366	0.6
79.19434	0.6
92.92831	0.6
100.98420	0.5
104.21108	0.6
119.05070	0.9
125.09720	1.4
126.48587	0.5
137.09752	0.7
157.57555	0.6
179.10168	0.6
183.01270	0.7
206.00902	0.8
209.09732	2.3
209.11583	0.7
236.08534	1.0
237.09253	2.4
239.07169	2.4
251.07085	0.8
252.07962	2.4
253.08717	70.3
254.09076	6.9
261.09137	0.8
265.08743	3.6
267.06683	3.5
268.07443	15.1
269.07877	1.4
279.10257	5.4
280.07486	1.6
281.08212	31.4
282.08655	3.3
284.06863	0.9
293.07956	0.8
297.11389	8.2
307.09766	4.9
307.19321	1.2
310.11917	0.7
312.06427	0.7
325.10837	100.0
325.23898	2.0
326.07053	1.4
326.11108	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	325.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75893	2.5
52.70546	3.0
59.01385	22.3
61.98843	20.9
67.47901	2.9
69.87125	4.0
69.87473	7.5
71.01398	12.8
72.00912	2.7
72.99286	4.6
73.02946	3.4
74.02489	4.0
78.48806	2.9
78.95915	9.3
82.27258	2.4
84.04559	5.1
85.02946	5.6
89.02440	7.2
92.92795	8.3
99.00828	3.9
101.02470	9.0
104.03574	3.3
109.04061	6.9
113.02466	7.2
119.94679	4.5
127.05154	22.1
128.03551	11.6
131.04665	8.5
134.04738	5.4
145.06207	100.0
146.57243	2.8
167.04387	6.7
168.01675	3.7
193.03522	3.7
210.02580	4.8
265.01215	2.8
275.57092	2.9
324.95822	5.6
325.07922	3.3
325.11386	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	325.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46550	1.4
58.05369	1.5
59.01384	100.0
69.29755	9.2
71.01383	12.7
73.02955	27.0
83.01395	4.0
85.02969	2.6
89.02468	3.6
91.01901	6.5
95.01397	2.8
98.22635	2.8
101.02460	13.3
113.02453	5.4
116.07191	12.9
117.03477	12.6
117.07520	4.4
119.05027	4.6
133.02951	1.7
134.41019	1.5
135.00883	10.9
135.04610	2.2
138.01875	1.6
138.18080	1.5
161.02432	2.4
163.00432	3.0
181.27094	1.4
190.09424	1.5
206.00880	3.5
211.14636	1.7
225.05663	2.5
253.05125	15.3
254.05453	3.2
281.04590	14.8
282.04974	2.8
325.05399	7.3
325.18463	4.7
326.06631	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	325.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47673	0.9
56.29869	0.8
58.00627	0.9
59.01385	100.0
63.82801	1.0
71.01375	6.1
73.02939	2.6
78.95911	10.7
85.02950	2.3
89.02450	3.0
91.39380	1.2
101.02455	5.0
103.35287	0.9
103.76952	1.0
113.02444	5.6
119.05048	6.3
121.02960	1.2
135.04514	2.9
138.01978	3.2
141.39740	1.0
161.02525	1.3
162.01964	1.6
163.00359	2.4
178.01439	2.3
187.03975	1.1
206.00955	5.6
272.85245	1.0
325.03317	2.2
325.12799	1.1
326.06796	5.1
327.44888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1448
Annotation	Dehydrodiisoeugenol
Peak:m/z	Relative Intensity
54.77197	0.7
65.00335	1.5
69.15780	4.5
93.63850	0.7
95.01382	1.2
105.03447	1.2
119.05013	1.5
136.98822	1.5
137.02452	1.1
153.01950	3.9
171.04568	4.3
172.04826	1.4
177.02051	1.9
180.03108	1.1
181.19565	0.9
183.01192	1.1
187.03935	0.8
206.00836	1.1
221.00926	1.1
221.06097	1.4
239.03506	2.7
252.07928	2.5
257.04764	0.8
265.05103	1.2
267.02924	6.4
267.10263	4.7
268.07462	1.1
280.07391	4.5
281.08466	1.1
281.11847	17.4
282.08484	1.3
282.12216	1.7
291.10202	0.9
293.04575	1.0
294.09015	8.8
295.09775	25.4
296.10242	1.5
308.10645	1.1
309.11346	48.1
310.12106	100.0
311.12469	11.0
325.14471	95.1
326.06668	1.4
326.14789	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	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
56.06198	0.7
57.03477	0.7
59.01385	100.0
60.01725	1.5
69.03479	1.0
70.57043	1.3
71.01389	12.3
73.02964	2.9
83.01413	1.5
85.02958	4.6
86.43137	0.5
87.00887	1.1
89.02448	9.3
97.02953	1.5
99.00867	0.9
101.02457	12.0
113.02481	5.5
119.03531	4.1
123.12880	0.7
131.03583	1.1
139.98212	0.7
159.03038	0.8
161.04587	3.3
179.05727	0.9
214.08621	0.7
219.85538	0.8
221.11928	0.7
265.12952	6.3
325.09543	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85330	0.6
56.32148	0.6
57.00518	0.5
57.03446	1.8
59.01379	0.9
69.03476	1.1
69.46844	2.3
71.05022	1.7
79.95743	8.0
80.02685	0.7
81.03429	0.6
93.03497	1.0
94.84271	0.6
94.98129	1.1
95.05049	0.7
95.95249	1.8
96.96022	85.8
97.02995	0.9
97.06593	1.0
98.21921	0.8
109.06590	5.2
111.08145	2.6
117.03495	3.2
119.05043	0.7
122.97587	3.1
123.08200	1.1
125.09751	2.9
127.07719	0.9
127.11333	1.8
135.04550	1.0
151.11307	0.7
155.10817	0.7
169.12270	1.1
171.10277	2.7
181.12383	0.9
185.11819	1.1
193.12450	0.6
195.10246	0.7
197.02823	2.0
197.11842	8.9
199.13452	0.9
201.11337	8.4
201.67508	0.5
211.13396	5.2
213.11317	5.4
235.13423	0.7
237.15091	1.0
245.19066	0.8
249.14943	0.6
255.10252	2.4
289.18164	3.3
297.11209	1.0
307.19135	5.2
308.19461	0.8
325.16907	100.0
325.20306	23.9
326.17255	8.2
326.20746	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	325.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91673	0.2
61.75099	0.3
70.75868	0.6
79.95760	0.6
82.31853	0.3
113.31837	0.3
133.06583	0.3
139.11307	0.5
143.34254	0.3
171.10233	0.7
183.01218	4.8
184.01947	1.2
191.95853	0.3
197.02794	46.7
198.03537	8.9
199.03821	0.3
211.04317	2.8
212.05138	0.6
225.05879	0.5
230.02487	1.4
239.07378	0.3
253.08934	0.4
267.10602	0.7
281.12146	0.3
293.20978	0.3
325.18445	100.0
326.18756	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	325.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46206	0.3
60.86211	0.2
70.33132	0.3
70.33470	0.6
74.78465	0.3
79.95776	0.9
91.60277	0.3
98.21950	0.4
118.99677	0.2
180.46240	0.3
183.01221	5.2
184.01938	1.0
193.79477	0.3
197.02794	45.6
198.03537	9.3
199.03970	0.3
201.01379	0.3
211.04335	2.1
212.05104	0.8
225.06058	0.4
230.02545	1.2
239.07335	0.3
253.09204	0.4
255.83281	0.3
259.93939	0.3
267.10626	0.6
281.12357	0.4
325.18463	100.0
326.18787	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	325.2026
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.19131	1.2
57.03441	1.9
65.03973	1.4
69.03457	1.2
70.05621	2.8
71.01382	2.9
71.05024	6.2
80.02683	1.8
81.03468	3.9
83.05045	11.3
84.02159	3.7
85.02939	1.6
95.05019	3.2
97.06589	4.3
99.08163	2.4
99.67188	1.2
109.06589	2.1
111.04543	1.3
111.08117	1.3
117.03474	1.4
118.44974	1.0
123.08175	3.5
123.60349	1.3
125.09744	2.6
127.07672	8.1
135.08167	1.8
139.07718	1.7
153.09210	1.7
155.10733	2.2
163.11253	5.3
165.12859	4.5
171.10271	17.3
181.12320	1.3
185.11865	12.0
191.10757	1.5
197.11865	9.8
201.11450	2.0
209.11858	100.0
210.12218	6.2
211.13359	2.3
223.27942	1.2
227.12941	7.6
235.13397	3.2
237.14949	1.7
238.12082	5.0
245.19095	2.3
249.15079	2.0
256.13171	2.2
289.18228	6.3
307.19183	43.0
308.19534	4.6
325.20221	30.0
326.20483	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	325.2024
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.62183	2.4
55.62857	2.2
57.03441	4.4
58.00603	5.2
59.01379	20.3
63.04802	2.5
69.03472	4.7
69.09949	7.5
69.10368	10.1
71.01395	13.0
71.57173	2.9
83.05048	3.6
84.02168	4.0
94.79935	2.6
97.06606	4.3
109.06596	5.5
111.08178	55.6
119.04992	6.5
121.06542	2.6
123.08173	18.4
125.09715	18.1
126.41879	2.6
127.11298	9.6
135.08167	14.7
137.09740	6.4
139.11333	3.9
141.09218	4.4
153.09221	8.2
155.10799	10.8
157.12349	2.9
167.10808	10.8
169.12305	7.5
171.10284	76.3
183.01242	7.5
183.10287	6.7
185.11865	47.1
186.12192	4.2
195.10301	6.5
197.11836	33.9
199.09738	4.4
199.13394	4.7
201.11333	83.5
202.11621	3.5
209.11833	4.3
213.11359	23.5
215.12941	4.6
225.11366	3.4
227.12952	7.0
245.19183	6.4
289.18124	19.3
307.19205	7.6
325.14764	9.8
325.20224	100.0
326.20547	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	325.2024
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.15753	1.2
57.03456	7.1
58.00591	3.4
59.01377	2.9
62.52020	1.2
69.03473	1.9
70.11864	1.4
70.12193	2.9
71.01398	2.7
71.05039	2.9
73.02953	1.8
80.02693	3.6
83.05032	2.4
84.02203	2.2
85.02953	1.5
95.05009	1.6
96.96027	3.1
97.06605	3.7
99.04530	1.5
109.06594	5.0
111.08167	32.6
123.08139	3.3
125.06057	1.7
125.09738	35.5
127.11303	17.1
135.08141	2.6
135.88824	1.2
137.09750	13.5
139.11325	2.0
141.09230	4.7
151.11316	4.9
153.09224	5.5
155.10805	8.6
164.08461	3.0
164.87204	1.3
165.09193	6.1
167.10654	2.2
169.08737	1.7
169.12303	2.4
171.10294	20.8
195.10262	5.0
197.11826	6.5
198.70956	1.4
199.09778	5.4
201.11345	98.8
202.11760	3.2
209.11874	2.1
211.13419	8.5
213.11348	73.8
214.11646	3.0
221.79100	1.3
227.12906	2.8
237.15067	2.3
245.18993	2.8
250.12262	1.8
271.17114	1.5
289.18109	28.2
290.18555	2.3
305.10867	1.6
307.19168	47.4
308.19540	3.9
325.20218	100.0
326.20609	12.7
327.12280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03459	1.0
59.01384	1.9
63.96238	2.9
67.83671	0.9
69.15456	6.4
82.02677	0.9
96.96036	1.4
97.06598	1.2
99.08138	1.2
121.02979	5.3
122.03757	4.2
123.04582	1.2
125.09755	3.7
136.05301	2.7
137.09746	1.7
138.01967	1.2
164.08437	1.4
165.12874	1.6
167.14423	7.0
183.01228	2.0
193.16039	3.5
207.17625	4.0
221.19092	1.5
245.01630	1.0
247.17085	1.9
249.18623	37.4
250.19032	3.0
253.08740	8.3
262.97870	0.9
268.07370	1.3
275.16577	25.6
275.19559	1.5
276.17007	2.4
281.08307	3.4
281.21323	10.0
289.18268	1.2
293.17621	100.0
294.17938	9.1
297.14664	1.1
306.76511	1.0
307.19177	8.7
307.22507	1.8
325.11087	10.1
325.20282	76.1
325.23441	2.9
326.07123	1.1
326.20557	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	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
56.25971	1.7
57.03446	5.9
57.63316	1.6
58.01167	1.5
59.01387	2.5
69.13148	6.8
69.13546	3.1
71.01408	1.9
71.05026	3.1
80.02676	8.3
83.05021	2.7
84.02191	6.4
87.05789	1.7
95.05038	1.8
96.96044	1.9
97.06604	8.6
113.09748	2.1
115.07603	1.8
117.03535	1.8
117.70134	1.6
119.05040	3.0
123.08155	6.9
125.09739	85.5
126.10103	4.4
126.49644	1.6
127.11305	5.3
135.08154	3.1
137.08746	3.3
137.09743	45.4
138.10069	1.6
141.54961	1.8
153.09248	5.0
155.10782	12.5
164.08467	2.3
169.08670	2.3
171.10292	6.2
181.12416	1.9
183.01189	4.4
187.09755	2.2
201.11348	3.0
206.00975	1.8
209.11900	7.9
227.12819	3.5
230.91412	2.0
245.19211	2.3
250.12094	2.0
253.18216	2.1
263.20129	1.6
279.19623	4.9
281.21234	4.0
289.18024	9.4
293.17636	1.7
307.19177	100.0
308.19528	8.5
309.95377	1.5
315.04266	1.9
325.06888	2.2
325.14621	4.6
325.20410	20.6
326.20547	2.3
342.20078	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	325.2176
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
60.10294	0.7
67.44707	0.6
71.07566	0.7
75.03508	0.6
75.57320	0.6
78.91298	0.5
79.95757	1.1
84.03680	0.6
91.23669	0.5
105.36465	0.6
140.11102	0.7
149.09738	81.7
150.10065	4.3
163.11307	87.1
164.11615	5.4
183.01228	42.0
184.01999	18.0
186.80957	0.7
197.02765	2.1
206.73476	0.7
216.01003	2.4
239.07588	0.9
281.27875	0.6
325.18347	100.0
325.21756	66.1
325.27722	1.7
326.18655	11.2
326.22153	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	326.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53772	0.3
59.01393	0.7
61.98836	6.2
69.33109	1.5
69.44850	0.3
107.35548	0.3
124.33385	0.3
140.02043	3.2
141.77643	0.3
141.99992	0.8
181.95308	3.4
182.95419	0.5
183.70802	0.3
183.89046	0.6
183.94983	2.6
184.01030	100.0
185.01180	7.5
204.04991	0.3
231.83913	0.3
252.67683	0.3
307.99728	0.3
316.79300	0.3
326.02344	1.5
342.91187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01386	5.1
61.98859	0.8
69.90730	1.7
71.01370	2.2
73.22182	0.5
75.00911	0.9
76.71653	0.6
78.95903	1.5
79.95751	1.1
81.03481	0.6
85.02963	2.1
89.02423	0.8
95.01389	1.0
96.95989	0.9
102.05624	1.3
113.02448	1.8
121.03004	1.0
124.00738	2.8
128.03516	1.9
131.08253	0.8
136.01666	4.2
138.03290	1.6
140.02107	3.0
146.02470	1.2
146.04622	1.3
151.04028	2.4
153.05534	1.0
159.01552	0.9
163.74318	0.7
164.05830	1.1
183.01517	1.4
183.04567	0.8
184.01030	100.0
185.01236	7.6
185.02966	1.3
193.30374	0.7
195.04506	1.4
197.04509	1.2
207.05211	1.2
224.04213	0.7
225.59708	0.6
247.00816	1.5
272.97253	0.6
319.45093	0.7
323.19812	0.6
326.02219	1.3
326.11319	4.9
326.99496	1.5
327.06827	1.0
327.10651	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	326.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02245	1.7
57.03445	4.8
59.01386	19.5
60.01724	3.8
61.01825	2.4
67.77106	1.6
68.99847	2.1
69.03451	1.7
69.45816	7.8
71.01379	7.2
72.99305	3.0
73.02946	2.6
75.00900	1.7
79.95737	4.0
81.03449	3.1
83.01413	1.7
83.05009	1.6
84.04575	1.5
85.02975	10.8
87.00895	4.1
89.00362	3.2
89.02438	4.7
91.01945	2.7
91.02863	1.7
95.01391	4.9
97.02950	3.1
99.00851	2.3
99.04526	2.2
101.02461	2.8
102.05628	44.2
106.00589	4.1
107.05042	3.3
109.02930	1.9
111.00880	3.3
113.02477	10.5
117.03497	2.6
119.05017	4.2
121.02972	42.1
121.06579	2.5
123.00905	24.8
123.04575	3.3
125.02510	1.9
128.03557	100.0
129.01944	2.0
129.03912	2.2
135.04498	3.1
136.01694	13.3
136.04028	3.4
137.02454	1.7
137.09686	1.8
138.03246	50.7
139.00415	3.7
139.03918	2.2
146.04616	71.7
147.04503	2.3
149.06056	2.4
151.04013	11.2
152.04663	2.0
153.05597	54.9
154.05934	2.8
158.18109	1.6
160.03958	1.9
161.02490	3.1
165.05611	2.0
172.02502	2.3
174.03218	5.0
175.02457	2.4
177.12863	3.9
179.02254	7.7
180.03017	4.2
192.03119	2.4
193.03815	3.4
194.04605	26.3
195.05008	2.0
195.13933	2.1
196.06052	2.1
197.04570	79.8
198.05005	4.5
199.46310	1.6
208.06212	3.9
211.07593	2.0
221.11783	4.6
222.07739	3.6
227.07155	4.2
238.19348	3.8
239.12813	4.0
250.06276	2.0
265.08630	9.4
265.11154	3.2
282.09793	14.9
283.11969	7.4
294.28970	1.7
308.07953	3.7
309.09573	1.9
326.08881	89.3
326.13690	7.2
327.08069	3.0
327.11115	23.2
327.14575	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	326.1036
Annotation	Corycularicine
Peak:m/z	Relative Intensity
54.20566	2.7
58.02984	12.3
59.01369	5.0
65.00339	6.4
67.01897	4.0
68.99818	2.5
69.61734	10.7
73.75400	2.2
79.05541	2.1
80.25200	2.1
81.03447	3.2
88.04030	3.5
91.01904	6.7
93.03472	7.5
95.01391	45.2
98.02489	25.1
98.22639	2.5
106.02967	6.5
107.05029	9.1
108.02176	4.2
109.02985	6.2
110.02471	3.7
117.03481	17.9
119.01449	2.9
119.05045	22.4
121.06583	4.0
122.02422	3.6
123.00925	6.3
123.04517	8.2
124.04114	3.0
126.02032	2.7
130.04250	2.8
133.02957	3.2
134.02460	5.1
135.00891	4.4
135.04535	10.1
136.04041	6.5
137.02470	18.1
138.01936	12.1
143.05055	5.3
145.06607	5.2
148.04065	3.5
149.06068	4.3
150.01982	9.5
150.05692	3.5
151.04054	2.6
152.03636	3.1
155.03662	2.2
157.06589	9.4
159.04520	3.6
160.04071	5.0
161.02448	27.5
162.01949	4.1
162.05580	5.8
163.00325	5.9
163.99966	3.9
171.04530	7.8
173.06067	8.2
174.03189	6.0
176.03535	7.4
177.01979	3.7
177.04239	4.7
177.05589	42.0
178.01480	9.2
180.03030	13.2
181.06519	2.8
183.08092	3.1
185.06052	7.2
187.04012	7.8
195.08041	4.4
202.05107	15.3
203.03517	6.3
204.02867	4.9
206.00851	5.3
206.04581	4.9
206.07471	4.1
207.01152	2.6
209.06099	3.8
209.09732	9.6
211.07700	4.1
220.02597	5.0
220.06158	23.8
221.06316	3.6
221.09685	10.3
222.06807	3.1
223.07672	8.1
227.07156	100.0
228.07513	6.2
235.07658	3.0
237.09206	22.7
238.09108	4.0
239.07060	13.4
250.06430	7.8
254.05806	3.0
254.08212	15.8
254.11919	2.7
263.07187	2.9
265.08713	91.3
266.08987	8.2
266.96338	2.7
267.06512	5.8
269.04642	4.2
280.09860	10.4
282.07874	3.5
283.06061	3.8
283.09705	4.9
284.09357	3.1
290.08252	22.2
291.06406	13.0
297.04095	3.0
298.07385	5.7
298.10867	10.8
308.09293	32.9
309.07239	3.4
317.22546	2.7
326.06720	12.9
326.10278	46.5
327.09857	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	326.1036
Annotation	Corycularicine
Peak:m/z	Relative Intensity
50.51999	2.3
58.02977	34.0
59.01383	2.8
68.86309	2.6
68.99809	3.3
69.67580	4.4
69.67976	5.3
77.78777	2.7
81.03484	8.0
82.03003	11.0
85.29518	2.4
88.34681	2.5
90.74285	2.4
93.03436	3.6
95.01402	40.3
96.04556	3.2
98.02502	18.4
105.03465	3.4
107.05035	7.3
108.02213	4.6
109.02975	4.7
111.04485	2.6
115.08760	6.8
117.03472	16.4
119.05089	2.8
121.02973	4.4
121.06620	7.0
123.04534	8.3
133.02974	4.2
133.06641	5.1
135.04544	9.9
136.04070	4.9
137.02463	5.6
145.06599	6.8
147.04553	5.9
148.04099	2.7
149.06116	7.9
150.05658	2.7
152.03452	2.7
157.06599	9.3
159.04544	3.0
160.04041	4.5
161.02451	24.4
169.01384	2.3
171.04572	6.2
173.06105	9.8
174.03229	22.1
176.03552	4.9
177.04243	4.5
177.05592	37.9
178.05037	4.9
180.03014	3.7
183.08182	3.8
185.06100	6.3
187.04062	9.3
194.12805	3.3
195.08124	3.1
202.05080	16.4
203.03606	4.5
206.07390	8.5
209.06018	2.8
209.09749	8.7
211.07661	6.7
219.08243	3.0
220.06128	25.8
220.07851	3.0
221.09721	16.6
223.07686	5.0
225.05594	5.3
227.07132	100.0
228.07596	6.5
235.07773	4.6
236.08553	3.2
237.09190	32.7
238.09418	4.6
239.07164	14.7
239.10716	4.7
247.07593	6.8
248.08423	2.5
263.06909	6.0
264.10092	7.2
265.08688	97.7
266.08939	7.5
280.09872	17.0
282.11279	7.7
283.09784	5.7
290.08215	22.6
291.06442	16.2
298.10858	12.1
308.09323	57.4
308.12881	5.0
309.09631	4.1
326.06628	4.6
326.10361	58.4
326.14066	4.8
326.24457	10.8
327.10556	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	326.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	100.0
66.03490	3.9
67.05532	10.6
68.05045	2.9
70.02962	2.8
70.06621	9.6
77.17771	2.0
82.06625	21.2
84.04527	2.2
85.06553	2.4
94.03002	2.9
94.06607	4.1
95.01373	3.0
96.08195	6.7
98.21857	3.9
99.05658	16.9
108.08204	4.8
108.70436	1.9
110.06148	21.0
113.10853	2.6
115.08781	43.6
119.05008	2.6
121.10224	8.4
122.76595	2.0
127.08805	2.6
136.11316	4.6
137.10822	10.7
141.10379	6.5
145.06615	2.2
165.13972	3.7
168.11356	2.1
174.03227	5.5
176.79965	2.2
177.05597	2.9
177.13991	7.8
183.68369	2.0
194.13016	53.6
212.14049	5.0
220.06108	3.2
223.07535	2.7
224.42418	2.3
227.07097	5.5
229.27917	2.4
236.17760	13.8
237.09181	2.3
239.06995	3.2
254.18782	62.1
255.19102	4.5
265.08792	11.2
284.09366	2.8
308.09219	2.6
308.23492	3.7
325.01263	2.2
326.06812	2.9
326.10297	12.7
326.24539	26.2
327.11063	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	9.8
63.02393	2.1
65.00327	1.4
68.99818	1.3
79.01900	100.0
79.95752	4.1
80.02262	1.2
86.53945	1.1
107.01405	12.0
111.00893	45.3
115.05645	1.0
117.03457	7.5
123.00946	1.8
135.00914	7.9
136.01656	5.8
136.92912	1.4
141.07137	1.4
143.05122	1.1
151.00386	56.5
152.00754	3.0
154.04256	7.3
155.08626	1.9
161.02525	1.4
164.01175	2.7
167.08641	1.7
171.04565	1.4
178.99870	83.9
180.00224	2.7
183.08168	4.1
185.06151	1.2
192.00711	3.1
195.08124	2.6
196.50165	1.0
197.06133	5.7
198.03276	4.0
211.07671	14.8
213.05589	12.1
223.04076	1.6
224.04797	2.8
226.02725	9.6
227.07149	6.3
239.07143	24.0
240.07503	2.6
241.05103	4.5
254.02113	1.2
255.06651	31.3
256.07037	1.7
259.39471	1.2
269.04672	6.6
283.06134	83.6
284.06424	6.9
297.04059	41.9
297.07483	2.1
298.04413	3.9
312.06396	5.7
327.05215	1.3
327.08777	24.9
327.12677	6.3
328.08942	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	327.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97204	0.9
57.03443	3.9
59.01382	19.8
62.12110	1.0
69.07320	0.9
70.35956	1.8
71.01384	13.5
72.99323	3.1
73.02969	1.0
75.00873	8.7
76.52962	1.0
85.02466	1.9
85.02959	31.8
87.00877	5.8
89.02467	2.8
89.80005	1.1
92.02658	1.3
95.01398	11.0
98.22636	1.0
99.00890	12.5
101.02403	1.2
103.00372	4.4
108.02175	2.4
113.02459	52.3
115.00375	2.4
117.02003	5.2
119.05067	1.1
123.98876	1.2
129.01973	3.4
136.01671	100.0
137.02026	3.5
151.04022	77.1
152.04314	3.7
157.01450	1.7
166.78148	0.9
170.39392	1.1
175.02501	9.2
190.50899	1.0
327.07242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81117	1.0
55.01883	2.1
55.51162	0.9
56.23429	0.9
57.03467	5.4
57.96021	0.8
59.01382	21.4
71.01387	14.5
72.99311	3.1
73.02941	1.5
75.00880	15.5
78.95914	3.3
80.91181	0.9
85.02958	41.8
87.00893	6.3
89.02444	3.0
92.02696	1.7
95.01396	10.0
96.96021	14.3
96.96966	1.3
99.00892	11.7
99.54111	0.9
103.00374	3.9
108.02187	2.3
108.65359	1.1
113.02461	50.3
114.02804	1.6
115.00408	2.4
117.01984	4.9
129.01993	2.9
136.01672	100.0
137.02008	2.9
145.05107	1.0
151.04019	74.7
152.04404	2.3
157.01382	1.4
175.02525	6.5
207.05096	15.8
327.00092	3.0
327.07336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58200	1.0
55.01860	1.1
57.03443	3.8
59.01384	20.5
59.78683	1.1
63.10496	1.0
67.01897	1.3
69.29848	5.8
71.01030	1.3
71.01390	13.5
72.99313	2.3
73.02930	1.4
75.00871	8.3
85.02956	28.4
87.00890	6.6
89.02437	2.7
92.02654	1.3
92.73484	1.1
95.01405	11.8
99.00885	10.5
103.00393	5.4
108.02188	2.7
109.24192	1.1
113.02459	44.6
115.00394	2.8
117.01936	3.6
129.01941	2.4
136.01674	100.0
136.08965	1.0
137.02000	3.6
146.02365	1.2
151.04027	68.2
152.04399	2.1
175.02505	6.9
212.34692	1.2
242.57968	1.2
266.00223	1.1
321.11923	1.3
327.07092	1.5
327.10748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	0.4
65.17492	0.2
65.96706	0.2
69.59354	0.4
69.59701	0.6
98.22568	0.4
99.00880	0.3
102.57240	0.2
107.01399	0.3
117.03468	12.2
118.03789	0.5
123.00925	0.3
125.02415	0.2
133.02950	0.5
136.98784	0.3
137.02422	0.4
151.00330	0.7
153.01927	1.9
154.04257	13.4
155.04544	0.6
157.02922	0.4
161.02473	0.5
164.98189	0.2
165.01933	0.5
165.03426	0.5
167.05081	0.3
168.04224	0.3
169.02950	0.5
170.03741	0.3
176.98244	0.3
177.01865	0.3
178.99879	3.9
181.06522	0.3
182.03737	1.2
185.02388	1.6
197.06044	0.3
198.03232	5.7
199.03514	0.2
207.04451	0.5
209.02361	0.4
210.03212	0.9
223.04091	0.4
225.05446	0.3
226.02731	22.8
227.03096	1.7
235.04056	1.1
237.02017	0.2
238.02721	1.4
241.05006	0.3
251.03368	0.2
253.05049	0.2
254.02223	5.9
255.02478	0.3
257.16794	0.2
258.01608	2.2
265.01297	0.7
266.02252	1.5
267.02939	0.4
268.03738	0.3
269.04559	16.0
270.04843	1.4
280.03842	0.2
283.06180	0.4
295.02847	0.3
295.06213	0.5
297.04044	100.0
298.04398	8.3
311.05481	0.3
312.06412	15.9
313.06747	1.2
327.08743	57.7
328.09091	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39220	0.1
55.74124	0.1
65.00323	0.4
99.00896	0.3
107.01392	0.2
111.00864	0.2
117.03468	12.8
118.03800	0.5
120.99332	0.2
122.42069	0.1
123.00863	0.5
133.02979	0.4
135.00919	0.4
136.98819	0.2
137.02440	0.4
137.99599	0.1
141.03439	0.3
149.02414	0.2
151.00406	0.8
153.01967	2.3
154.04257	15.3
155.04568	0.7
157.02950	0.4
161.02432	0.7
164.98344	0.2
165.01939	0.6
165.03464	0.8
167.05038	0.2
168.04218	0.2
169.02931	0.7
175.04044	0.2
176.98317	0.5
177.01944	0.4
178.99873	4.1
180.00185	0.2
181.02855	0.2
181.06683	0.2
182.03767	1.9
185.02423	2.0
193.96402	0.1
194.02008	0.2
194.03687	0.2
195.04485	0.5
197.06087	0.4
198.03224	8.0
199.03664	0.5
201.05504	0.3
207.04495	0.6
209.02426	0.5
210.03186	1.0
213.05478	0.2
223.04015	0.6
225.05617	0.4
226.02725	27.8
227.03069	1.9
230.02182	0.2
235.03964	0.9
237.01863	0.3
238.02682	1.3
239.03275	0.2
241.05119	0.4
251.03569	0.3
253.01385	0.2
253.05185	0.2
254.02209	7.3
255.02524	0.4
258.01657	1.7
265.01410	0.5
266.02240	1.6
267.02933	0.4
268.03845	0.5
269.04559	17.1
270.04901	1.4
279.03043	0.2
280.03787	0.2
281.04529	0.3
282.01859	0.4
283.06113	0.3
295.06152	0.4
296.03122	0.2
297.04047	100.0
298.04401	8.0
311.05563	0.4
312.06406	17.3
313.06686	1.7
327.08743	62.6
328.09088	6.1
339.79218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0875
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
65.00030	0.1
65.00296	0.7
65.50988	0.1
68.99825	0.3
79.01888	0.8
82.48669	0.1
88.39176	0.1
91.01873	0.2
92.99834	0.3
99.00888	0.4
107.01396	0.3
111.00855	0.4
117.03465	13.8
118.03798	0.5
118.98111	0.1
121.02972	0.2
123.00862	0.4
133.02974	0.4
135.00906	0.3
136.98836	0.2
137.02437	0.3
141.03453	0.2
149.02428	0.2
149.99680	0.1
151.00354	1.2
153.01941	2.4
154.04253	15.3
155.04567	0.8
157.02936	0.4
159.04468	0.1
161.02496	0.7
165.01920	0.7
165.03442	0.7
167.05014	0.5
169.02979	0.9
176.98346	0.4
177.01904	0.3
178.99872	4.7
180.00291	0.1
181.06532	0.2
182.03680	1.3
185.02437	1.9
194.03679	0.2
195.04510	0.4
197.06064	0.5
198.03238	7.5
199.03616	0.5
207.04485	0.5
209.02562	0.3
210.03210	1.0
213.05508	0.3
223.03992	0.5
225.05495	0.4
226.02722	27.4
227.03072	1.8
235.04015	1.1
237.01917	0.3
238.02693	1.4
239.07144	0.2
241.05080	0.5
251.03575	0.3
253.05145	0.3
254.02211	6.8
255.02573	0.5
255.06575	0.2
258.01672	2.1
265.01425	0.6
266.02151	1.7
267.02936	0.3
268.03772	0.4
269.04550	18.4
270.04944	1.2
280.03885	0.3
283.06119	0.9
295.06094	0.5
297.04041	100.0
298.04382	8.2
311.05682	0.4
312.06412	17.3
313.06732	1.3
327.08737	58.8
328.09076	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	327.0876
Annotation	6-Methoxypterocarpin
Peak:m/z	Relative Intensity
53.66682	0.6
54.26835	0.6
54.53388	0.5
63.02354	0.8
65.00278	1.2
69.21877	2.5
71.89758	0.6
75.02373	1.3
82.31210	0.6
91.01850	0.7
93.03433	1.2
95.01306	2.4
107.01353	0.7
109.02925	1.2
115.60865	0.6
117.03424	1.0
119.01311	2.3
119.14574	0.6
135.00903	5.9
136.01610	0.8
137.02408	2.9
143.04953	0.6
147.00793	1.1
148.01659	0.8
151.12703	0.5
154.29730	0.6
161.99474	0.7
163.00383	34.8
164.00821	1.7
171.04436	2.8
176.01175	5.1
179.08626	0.6
181.06554	0.9
189.98958	0.8
190.99879	13.5
195.08116	1.0
204.00601	1.4
207.08235	0.8
209.06024	1.4
211.07703	1.1
221.05937	0.6
223.07671	2.9
225.05602	3.2
226.02609	1.0
230.43205	0.8
239.07132	3.1
240.89407	0.7
249.05499	1.4
251.07080	2.7
267.06647	59.3
268.06940	4.6
269.04581	2.4
277.05045	1.8
294.05536	0.7
295.06128	100.0
296.06448	7.3
297.04083	4.8
312.06509	1.0
316.35965	0.6
327.08762	25.4
327.21686	1.0
328.09061	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0877
Annotation	Alnustin
Peak:m/z	Relative Intensity
53.93979	0.4
55.35801	0.4
58.72128	0.5
60.40983	0.4
65.00326	6.6
68.99821	0.8
69.06636	3.3
73.00787	0.4
73.46548	0.4
75.67316	0.4
79.64321	0.4
92.99827	1.7
95.01402	0.9
96.80805	0.4
96.99304	1.0
108.99343	0.6
114.71537	0.4
117.03467	1.4
119.05029	0.8
120.99306	0.5
123.00864	0.5
124.01657	1.7
136.98819	10.8
137.02658	0.4
151.00415	0.7
152.01175	3.8
153.01767	0.5
154.04265	0.8
159.15143	0.4
163.00371	0.9
164.98308	10.7
166.99756	0.5
169.02974	0.6
169.06601	2.2
171.04523	6.6
173.06067	0.7
175.03957	0.5
177.99266	0.5
178.99782	1.0
180.00639	1.6
181.06607	0.9
185.06087	0.5
197.06090	0.8
198.03322	0.8
199.04068	1.0
201.05611	1.4
201.63980	0.5
213.05606	1.6
225.05521	0.8
226.02760	2.4
239.07053	0.8
241.05086	35.2
242.05382	2.0
249.40216	0.4
255.06577	1.4
256.07385	0.9
267.06665	2.0
269.04562	100.0
270.04895	8.1
283.06146	4.4
284.06897	7.6
285.07407	0.6
295.06229	2.4
297.04056	15.3
298.04355	1.0
312.06427	13.6
313.06732	1.0
327.05206	0.8
327.08746	18.3
327.12564	1.5
327.15921	1.6
328.08829	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	327.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	0.5
68.99808	0.2
72.65874	0.1
91.01891	0.2
92.99831	0.2
98.22770	0.1
99.00879	0.3
104.05164	0.1
107.01386	0.2
110.00111	0.2
117.03472	12.8
118.03812	0.6
119.05067	0.2
123.00909	0.4
124.40743	0.1
125.02462	0.2
133.02930	0.3
135.00856	0.3
136.01663	0.2
136.98874	0.3
137.02512	0.3
141.03484	0.2
141.77272	0.2
149.02444	0.3
151.00362	0.8
153.01974	1.8
154.04263	14.0
155.04575	0.8
157.02994	0.3
161.02454	0.6
165.01936	0.7
165.03465	0.6
167.04976	0.2
168.04231	0.2
168.47182	0.1
169.02986	0.6
169.06670	0.2
171.04486	0.1
175.07306	0.1
176.98344	0.4
177.01976	0.3
178.99879	3.8
179.01422	0.1
180.00348	0.1
181.06610	0.4
182.03731	1.3
183.04555	0.2
185.02429	1.8
194.03760	0.3
195.04541	0.4
197.06116	0.3
198.03247	7.0
199.03587	0.4
207.04462	0.6
209.02451	0.4
209.06073	0.2
210.03212	0.9
213.05426	0.2
223.04007	0.5
225.05699	0.3
226.02731	25.7
227.03125	1.8
230.02446	0.2
235.04016	0.9
237.01909	0.4
238.02750	1.4
239.03084	0.2
241.05132	0.5
251.03488	0.3
253.05177	0.2
254.02229	7.1
255.02545	0.3
258.01721	1.8
265.01410	0.6
266.02243	1.5
267.02911	0.2
268.03778	0.6
269.04568	16.3
270.04907	1.4
280.03824	0.1
282.01767	0.4
283.06189	0.5
295.02802	0.1
295.06210	0.4
297.04056	100.0
298.04395	7.8
311.05704	0.4
312.06427	15.9
313.06735	1.1
327.08752	61.2
328.09094	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	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33558	0.7
56.50827	0.6
57.03448	0.7
58.34331	0.6
58.78571	0.7
59.01386	51.0
62.30886	0.9
63.99579	0.6
64.82960	0.7
69.44434	1.1
69.44825	2.3
71.01392	22.1
72.99311	1.8
78.95908	2.6
82.03005	0.8
83.01386	1.8
85.02967	4.7
87.00903	0.8
89.02455	18.9
95.01404	1.9
96.96021	0.7
96.96973	2.5
98.21899	0.7
99.00917	0.6
99.29016	0.6
101.02450	12.6
103.05547	2.4
112.93810	1.3
113.02470	8.2
114.05614	3.8
115.05958	0.9
119.03526	8.5
119.05007	3.7
131.03552	0.9
133.02940	0.8
143.03552	0.7
147.04541	100.0
148.04881	4.6
149.04582	0.7
165.05598	13.8
166.05931	0.8
179.05595	1.0
206.92053	0.7
207.06609	0.8
297.04083	1.2
327.10898	50.7
328.11057	3.8
328.14514	1.1
328.73975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75577	1.0
59.01387	100.0
59.55227	1.2
63.24797	1.1
69.15556	4.8
71.01390	22.3
73.02956	67.1
73.50488	1.0
74.03281	1.3
83.01396	13.8
85.02955	3.3
89.02456	4.2
95.01434	1.8
101.02457	37.5
107.05058	1.3
113.02480	12.9
113.66701	1.2
116.07172	1.8
116.84858	1.3
119.03474	2.2
119.05065	2.4
121.02946	2.3
125.02480	2.2
131.03511	3.8
143.03474	2.2
149.02473	4.1
149.04648	2.6
161.04555	8.9
328.22348	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74062	0.6
51.78848	0.6
59.01385	51.0
69.46846	1.1
69.47239	1.6
71.01389	20.6
72.01710	0.7
72.99316	2.0
82.02996	2.0
83.01394	1.5
85.02967	4.4
87.00900	1.1
89.02451	18.2
95.01414	2.0
100.04060	0.9
101.02455	13.0
103.05534	2.7
112.48583	0.7
113.02464	7.4
114.05652	0.9
119.03538	6.7
119.05022	4.8
123.04512	1.6
136.01688	1.4
147.04535	100.0
148.04897	4.9
151.04073	1.1
161.04556	0.8
161.05896	0.7
165.05585	12.8
167.40276	0.7
175.02475	0.7
179.05659	1.0
185.25327	0.7
191.23157	0.7
245.03308	0.7
266.13901	1.6
327.10883	53.2
328.10767	3.6
328.14215	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
53.95771	0.6
66.46300	0.6
70.06754	0.7
70.07072	1.1
83.86939	0.6
93.03466	3.8
108.02272	1.4
109.02995	1.2
119.05109	2.2
121.02967	21.1
135.04610	2.1
145.02992	1.5
147.04527	5.6
149.06174	0.8
158.03746	1.6
159.04587	1.8
161.02597	0.9
163.04047	4.1
165.31100	0.7
175.02525	1.3
175.04019	22.3
175.05452	1.3
176.04663	1.5
179.08664	1.1
180.70328	0.6
183.04608	0.7
185.34750	0.6
187.04114	1.5
188.04926	1.1
189.05696	1.2
190.06387	10.4
191.06940	0.9
195.08133	1.2
196.05392	0.7
197.06116	2.3
203.07178	1.6
205.06673	1.3
207.08301	0.9
209.06175	2.7
210.06895	0.7
211.04178	1.5
211.07736	2.9
212.04796	1.3
221.06181	1.2
222.05180	4.7
222.07225	0.9
223.07693	7.2
224.05019	1.2
224.08081	1.0
225.05681	2.9
225.09242	1.5
226.06311	1.1
227.07207	0.9
229.71066	0.7
232.05464	1.0
233.06099	4.3
234.06726	1.4
235.04050	1.0
235.07666	1.6
237.05721	2.0
238.06342	1.7
239.07115	7.4
240.07877	1.0
241.05119	2.5
241.08778	2.1
248.04796	0.8
249.05600	4.2
250.06430	3.5
251.07115	11.1
252.07681	1.2
253.05154	1.6
253.08786	1.4
254.05872	2.4
256.07361	0.7
261.05585	5.8
262.06372	2.3
263.07175	2.7
264.04367	1.3
266.05930	1.0
267.06628	11.5
267.09323	0.8
268.07397	5.5
269.08218	21.0
270.08591	2.2
277.05167	1.4
278.05869	2.3
278.09549	3.1
279.06659	19.5
280.07199	2.9
281.08322	1.1
282.09100	2.1
283.09732	5.2
284.09903	0.9
293.08307	1.1
294.09006	9.3
295.06311	1.2
295.09439	1.6
296.06943	2.7
297.07724	92.8
297.11224	7.1
298.08066	7.8
309.11368	31.5
310.11853	3.3
311.09219	3.5
312.06229	1.4
312.07333	1.2
312.10049	74.9
313.10406	6.7
327.12402	100.0
328.12674	10.6
346.36948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.124
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
54.16301	0.6
57.03431	0.6
68.02544	6.4
98.21909	1.4
142.66881	0.5
209.09763	3.3
237.09241	12.0
239.07281	0.8
252.07909	2.0
253.08635	2.0
255.10269	2.7
265.08691	11.5
266.09180	1.4
267.06711	1.6
267.10254	0.7
268.07446	20.4
269.07925	3.7
270.08997	2.1
280.07358	1.0
281.08276	2.8
281.11874	7.3
282.09006	30.8
283.09714	13.3
284.10123	1.4
291.10147	0.7
293.08212	2.3
294.08972	1.9
299.12830	1.2
308.10623	3.4
309.11377	9.8
310.11691	1.0
312.10117	3.4
326.11633	15.9
327.12402	100.0
327.21643	2.1
328.12738	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	327.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94757	0.3
65.03968	0.6
69.24181	0.9
69.24563	0.6
79.05524	0.3
81.03466	2.2
91.05517	0.3
93.03455	0.7
98.21915	0.7
101.50084	0.3
109.81310	0.3
120.27235	0.3
121.02948	0.6
122.03765	4.9
123.08145	0.3
125.86868	0.3
133.06596	0.5
135.04541	0.7
136.01656	1.0
148.05273	0.3
149.02448	4.8
149.06100	0.9
150.03246	5.3
151.03946	0.9
156.43684	0.3
159.08160	0.5
161.06079	1.0
161.09700	0.6
162.03302	0.3
163.04044	1.8
164.01045	0.3
164.04770	0.7
165.05569	0.6
177.05611	2.7
185.09857	0.4
187.11304	0.4
189.05693	0.5
189.12877	1.0
191.03528	0.4
201.09163	0.5
201.11113	0.4
201.12883	1.0
203.07181	0.4
204.07892	0.6
205.05083	0.8
205.08713	0.9
216.11559	0.3
217.12326	0.7
227.10938	0.6
237.12781	0.4
237.16245	0.3
239.14381	0.4
244.11021	0.4
245.11859	3.3
251.10709	0.5
255.17548	1.2
257.11871	0.6
258.12616	0.6
265.12360	2.4
265.14932	0.4
266.13007	1.4
267.13788	0.7
270.12585	0.3
271.09790	1.9
281.15482	3.0
282.15729	0.7
283.13525	1.2
283.17090	1.2
284.13998	0.4
286.12100	1.6
293.11951	1.0
294.12796	0.5
297.11243	0.8
298.15585	0.5
299.16577	4.6
300.16528	0.4
309.11426	0.5
309.14972	7.7
309.18384	0.6
310.15411	0.7
311.12967	0.8
312.13657	0.5
327.16022	100.0
328.16373	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	327.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50626	0.3
57.97512	0.3
70.63265	0.3
70.91556	0.3
78.70080	0.3
137.80702	0.3
185.00867	0.4
199.02386	1.2
210.30472	0.3
215.03583	0.6
217.05093	1.8
218.05939	0.6
219.06609	0.9
230.05852	2.2
231.06573	0.8
243.06747	0.7
255.10284	0.4
255.66451	0.4
257.08392	0.4
269.11658	0.8
279.10196	0.4
282.08966	0.8
283.09668	0.9
283.12930	0.5
293.23846	0.4
295.09689	2.0
295.13412	1.2
297.11365	9.0
298.11444	0.5
309.11444	1.1
310.11932	0.6
311.12885	6.2
312.13739	3.6
313.14197	0.6
325.14420	0.7
327.15985	100.0
328.16315	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	327.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59995	0.3
59.89103	0.3
65.03962	0.5
66.27878	0.3
69.08219	2.1
70.75392	0.3
81.03448	1.9
86.61189	0.3
91.05523	0.3
93.05831	0.3
95.05024	0.6
98.21862	0.4
98.95625	0.4
105.03465	0.4
107.05038	0.8
112.38385	0.3
119.05063	0.4
121.02932	0.6
122.03749	3.9
123.00877	0.6
133.06604	0.6
134.03841	0.4
135.04549	0.7
136.01668	0.7
137.06105	0.4
149.02457	4.3
150.03249	4.9
151.03943	0.6
156.11539	0.3
161.06070	1.3
161.09766	0.5
162.03207	0.8
163.04004	2.0
164.04797	0.7
165.05565	1.6
173.09720	0.9
176.04791	0.3
177.05611	2.4
177.12830	0.5
178.06355	0.4
182.23982	0.3
189.12851	0.5
191.03532	1.1
192.04207	0.5
201.09329	0.6
201.12999	0.6
204.04295	0.4
205.05093	1.5
206.05855	1.7
214.06396	0.3
216.11588	0.5
217.08665	0.3
217.12270	0.6
227.10785	0.8
230.05873	0.4
231.06534	0.3
243.06436	0.5
243.10191	0.9
245.08182	1.4
245.11754	1.4
251.10751	1.6
255.10463	0.3
255.17610	1.4
257.11966	0.5
258.12515	0.4
265.12393	1.6
265.15814	0.3
266.13150	1.2
267.13879	0.6
269.11673	0.4
271.09799	2.0
279.10202	1.6
281.15527	2.4
283.13461	1.0
283.17044	1.7
286.12109	1.5
293.11847	1.1
294.12668	1.5
295.13345	0.4
297.11420	1.0
298.15775	0.6
299.16525	4.8
300.16956	0.6
309.15005	6.5
310.15384	1.2
311.13068	1.6
312.13556	0.7
327.16022	100.0
328.12485	0.7
328.16370	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	327.1604
Annotation	Nepetanudone
Peak:m/z	Relative Intensity
57.18714	0.6
59.01392	1.0
69.21339	4.3
79.95742	1.0
99.19883	0.7
101.91467	0.6
147.29237	0.6
157.08849	0.6
171.10248	0.9
213.05536	0.8
215.07162	3.6
216.07971	0.7
227.12990	0.8
251.10835	1.3
264.07886	1.3
265.12411	2.1
266.13132	7.0
267.13663	1.0
278.09525	2.6
279.10269	11.6
281.15436	6.5
283.13400	1.7
283.16879	0.7
293.11865	5.4
294.12643	30.3
295.12982	3.3
307.13541	0.9
308.14218	0.8
309.14966	6.3
309.20694	0.9
327.16034	100.0
327.22137	3.1
328.16360	9.8
331.53171	0.7
335.29193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
82.88963	1.7
102.05584	3.8
119.05047	2.1
126.90369	2.3
128.03557	3.8
168.91432	5.2
171.10275	1.8
172.59956	1.4
185.26866	1.5
199.16971	2.5
201.05478	1.9
201.11354	2.2
215.06853	1.6
267.10391	2.8
281.11731	1.8
284.21985	2.1
295.13455	9.5
297.14975	100.0
298.15350	8.8
309.21466	1.9
327.01505	1.9
327.16022	86.7
327.21915	7.3
328.16339	8.5
328.20996	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	327.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
69.18862	4.3
81.03483	1.1
93.03439	1.9
98.22595	1.9
119.05001	1.4
121.02965	1.2
122.03728	3.1
131.86436	0.9
133.06596	1.3
135.04562	0.9
136.01704	1.5
149.02504	4.1
150.03194	4.1
151.03979	1.0
155.10735	1.0
161.06035	1.1
161.09721	1.0
161.90375	0.8
162.91193	0.7
163.04021	2.7
164.04637	0.7
165.05603	2.1
168.91418	1.3
177.05623	1.2
191.03499	1.5
199.00677	0.9
205.08788	1.0
207.06517	0.8
241.08681	1.2
251.10710	1.1
253.08572	1.3
255.13788	1.2
255.17639	1.1
265.12424	1.0
269.08292	1.5
271.09534	1.1
281.15558	1.7
283.10709	1.1
283.13483	6.2
283.16718	1.6
284.06815	0.9
284.13840	1.3
286.12164	1.2
290.70212	0.9
293.11914	1.1
294.12488	1.4
297.04010	1.5
297.11435	1.6
299.16504	10.8
309.14978	2.7
311.13034	1.5
311.16382	1.0
312.13538	1.9
327.16031	100.0
327.21576	4.7
328.16428	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	327.2181
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.82832	0.5
57.03437	1.3
58.00365	0.6
59.01376	1.2
63.42003	0.5
69.03445	1.1
69.50423	2.8
69.60973	0.5
71.01373	0.7
71.05025	1.4
72.62370	0.5
73.02941	3.1
80.02684	2.8
80.06629	0.5
81.03477	2.1
83.01376	0.6
83.05034	6.5
84.02165	3.4
95.05024	1.2
97.06589	1.5
99.08159	1.8
111.08144	1.0
113.09699	0.6
115.07664	0.9
119.05004	0.7
123.08134	0.8
125.06176	0.8
125.09733	2.2
127.07649	1.8
127.11288	1.0
129.09224	29.7
130.09557	1.1
135.08156	1.6
137.09741	1.7
141.09221	10.5
141.12880	1.7
147.67903	0.6
153.12857	0.7
154.14714	0.6
155.10776	5.4
163.11292	5.3
165.12804	3.6
171.10289	7.2
181.12262	1.6
183.01213	9.3
185.11839	43.1
186.12196	1.8
191.10806	1.0
197.02838	1.4
197.11845	36.6
198.12186	1.9
201.11272	1.7
209.11839	100.0
210.12151	5.6
211.13341	0.6
227.12892	9.3
228.13191	0.6
247.20598	1.4
270.01736	1.2
286.13339	0.6
291.19632	10.3
297.04108	0.8
298.01230	1.3
309.20724	15.4
310.21002	1.7
313.03629	1.0
327.16357	21.1
327.21756	87.7
328.05856	1.8
328.16623	1.5
328.22165	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	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.64918	0.8
57.03450	2.2
58.00581	1.4
59.01380	2.6
69.03433	1.6
69.13191	5.5
72.22568	0.8
73.02921	0.9
80.02704	1.2
80.96996	0.9
83.05032	1.6
84.02181	6.9
85.02952	0.9
97.06589	1.1
99.08172	5.1
110.45568	0.8
110.84283	0.8
111.08183	1.7
113.09716	2.5
121.44195	0.9
123.08187	1.2
125.09734	9.1
127.11307	4.4
129.09212	1.9
135.08174	1.0
137.09731	8.1
139.11305	1.1
141.09270	2.3
143.10767	1.3
153.09209	1.1
155.10797	5.7
164.10760	0.8
165.12875	2.2
167.10814	2.8
169.12338	1.1
171.10291	30.3
172.10614	0.8
181.12396	1.1
183.10316	4.8
185.11832	14.4
186.12102	1.0
197.11836	11.6
199.13409	1.5
201.11346	13.2
209.11864	3.7
211.13449	1.7
213.11411	2.8
227.12863	3.9
229.14453	2.4
250.74384	1.0
263.20187	1.2
269.12115	1.6
291.19699	4.4
309.20758	3.4
327.21793	100.0
328.22247	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	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.67028	0.7
57.03447	1.5
59.01380	1.0
69.03441	0.9
69.42738	2.7
71.01394	1.1
82.84297	0.8
83.05036	1.1
85.02971	5.5
97.06612	4.6
97.82416	0.7
117.03434	1.0
125.09766	1.1
127.11266	1.7
128.52594	0.7
155.10783	1.1
155.14435	0.8
165.12828	1.2
167.14339	1.0
171.10284	9.3
178.99803	0.9
183.13965	4.1
185.11855	1.5
193.12286	1.2
197.11845	1.2
203.10767	0.7
205.35835	0.7
209.11945	1.3
211.13420	26.3
212.13747	1.4
221.11800	2.6
226.02722	1.1
229.14481	14.3
230.14897	1.9
239.12955	1.9
269.04489	2.0
291.19659	2.6
297.03967	4.0
298.01181	2.2
309.20804	1.6
327.08734	2.9
327.21796	100.0
328.05914	2.3
328.22159	9.4
328.83179	0.8
346.19360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.66834	0.9
57.03451	11.3
58.00595	2.8
59.01388	1.4
69.58295	2.0
69.58708	1.5
73.02962	1.0
77.66079	0.8
83.05041	1.7
85.02932	1.2
85.06633	0.9
87.04488	1.1
97.06596	1.1
98.22666	1.5
109.01777	0.8
113.09743	23.1
123.08186	1.2
125.09741	11.0
127.11311	13.9
137.09756	2.8
139.11264	2.0
139.57063	0.9
141.09201	2.6
143.56419	0.9
151.11333	4.7
153.09221	2.0
155.10844	4.6
155.11909	0.7
165.09229	3.3
169.12358	0.9
171.10300	7.7
183.10307	1.5
186.40431	0.9
195.10269	3.7
199.09732	3.6
201.11340	80.2
202.11732	5.4
213.11349	47.9
213.13455	1.8
214.11765	2.4
214.21814	0.9
227.12923	0.9
247.20786	0.8
291.19751	8.9
309.20743	16.4
327.21786	100.0
328.22153	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.8
59.01381	3.2
66.92541	1.1
69.03465	2.0
69.07278	2.7
69.07685	4.1
71.01387	1.6
83.05081	1.5
84.02172	3.1
91.81689	0.9
97.06615	2.1
99.08164	4.1
109.06544	1.0
111.44978	0.9
113.09734	7.4
113.21011	1.0
121.02983	8.0
123.08202	1.4
125.09753	7.9
127.07613	1.3
127.11267	2.0
129.09209	2.1
137.09714	5.1
139.11282	2.3
141.09215	2.8
141.61542	1.0
151.11359	1.4
153.09239	1.4
155.10771	4.5
165.12904	1.3
167.10788	2.4
169.12363	1.4
171.10304	28.6
172.10654	1.7
179.10716	1.0
181.12375	1.2
183.10242	4.5
185.11864	14.4
197.11859	12.0
199.13423	1.5
201.11334	11.5
209.11891	5.2
211.13362	2.0
213.11322	3.2
227.12910	3.8
247.20630	1.1
269.12308	2.6
291.19757	5.4
309.20746	3.5
327.08704	1.8
327.16241	5.9
327.21799	100.0
328.22134	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	327.2182
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.79696	0.4
57.03452	1.4
58.00598	1.4
59.01387	3.9
70.22322	0.4
70.53683	0.6
83.05055	0.5
87.04517	0.7
97.06603	1.6
109.06607	0.6
111.08181	6.8
127.07686	1.1
143.03819	0.4
146.50810	0.5
153.12830	1.0
169.12364	5.2
171.10283	2.6
181.12399	1.8
183.01215	0.6
183.13940	0.8
185.11673	0.7
193.12262	0.5
195.13966	0.9
197.02777	3.9
197.11852	37.6
198.03502	1.2
198.12202	1.8
199.13388	5.5
201.11320	1.0
211.13449	4.7
221.15556	0.5
227.12886	0.6
229.14548	1.3
239.16553	8.0
291.19650	4.0
309.20749	3.1
327.16357	10.3
327.21793	100.0
328.16492	1.1
328.22150	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31715	0.2
57.03456	1.4
58.00611	0.3
59.01366	0.8
69.03449	1.0
71.01381	1.1
71.05005	0.3
71.29007	0.2
73.02959	0.3
80.02676	0.2
81.03458	0.4
83.05041	1.4
84.02161	0.6
85.02959	4.5
85.03474	0.3
92.84591	0.2
93.03474	0.4
95.05033	1.2
97.02985	0.5
97.06596	5.5
109.06612	0.4
110.03761	0.6
117.03474	0.4
119.05051	0.6
120.05399	0.3
123.08157	0.7
125.09744	1.4
127.07645	0.3
127.11285	2.1
137.09729	0.7
137.64313	0.3
141.12912	0.2
155.10785	1.0
155.14461	0.7
159.30977	0.2
163.11255	0.3
165.12825	1.5
167.10812	0.5
167.14417	1.4
171.10283	10.0
172.10583	0.4
173.98195	0.2
175.11322	0.3
177.12856	0.9
181.12364	0.5
183.13916	5.1
185.11853	1.5
193.12373	2.3
195.13971	0.5
197.11873	0.8
203.10817	0.7
209.11826	2.1
211.13412	25.5
212.13779	1.9
221.11865	4.4
227.12872	0.4
229.14467	17.7
230.14919	1.1
239.12943	2.5
247.20668	0.6
257.14029	0.4
273.18817	0.4
291.19705	3.4
292.19962	0.3
309.20966	1.5
309.23941	0.3
315.81589	0.2
327.21777	100.0
328.22141	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	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03457	1.8
59.01378	0.9
63.87199	0.2
69.03458	0.8
71.01398	1.0
71.05014	0.3
71.41854	0.3
73.02959	0.3
73.98158	0.2
80.02706	0.2
81.03461	0.6
83.05024	1.2
84.02179	0.4
85.02960	4.7
95.05031	1.1
97.02962	0.7
97.06596	6.4
98.06908	0.3
107.05012	0.2
109.06622	0.6
110.03748	0.7
111.04538	0.3
119.05042	0.9
123.08179	0.5
125.09724	1.7
127.11298	2.1
137.09749	0.8
137.68141	0.2
155.10803	1.0
155.14436	0.8
159.15717	0.2
163.11339	0.5
165.12846	1.6
167.10791	0.3
167.14452	1.3
171.10284	10.4
172.10663	0.4
175.11401	0.3
177.12822	1.8
181.12332	0.7
183.13925	5.2
183.15564	0.4
185.11810	1.8
193.12364	1.8
195.13853	0.3
197.11816	1.0
199.13408	0.4
201.11298	0.2
203.10814	0.5
209.11832	2.2
210.25113	0.2
211.13411	27.5
212.13734	1.7
221.11865	3.9
222.12154	0.4
227.13086	0.4
229.14456	16.0
230.14848	0.9
236.18820	0.2
239.12874	2.5
240.13370	0.3
247.20662	0.4
273.18759	0.3
291.19696	3.8
292.19971	0.5
297.03912	0.3
299.17059	0.2
309.20816	1.7
327.21786	100.0
328.22137	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	327.2906
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
52.28167	0.7
53.66864	0.8
69.91623	2.1
69.91963	0.8
76.71848	0.7
98.22511	0.9
105.62766	0.7
112.41008	0.8
124.43249	0.6
192.19577	0.7
218.14304	0.7
240.13005	0.7
279.26993	2.4
281.28519	49.0
282.28839	4.4
327.18704	4.2
327.29068	100.0
328.29379	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	328.0454
Annotation	4-(6-amino-9h-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide
Peak:m/z	Relative Intensity
69.72661	0.3
69.73050	0.3
72.99294	0.2
78.95916	0.8
85.02956	0.2
90.43110	0.1
92.02560	0.9
107.03643	5.0
108.02188	1.2
113.02473	0.2
117.01968	0.2
123.04530	0.6
130.08759	0.2
131.08298	0.2
134.04742	100.0
135.05161	2.2
136.01622	0.3
137.01988	0.4
151.04037	0.2
152.01141	0.9
152.04420	0.3
154.91600	0.5
167.03505	2.6
176.23242	0.2
192.99136	0.3
275.03821	0.2
328.04532	2.1
329.04782	0.2
329.08835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73547	2.0
55.86724	3.0
57.03445	2.7
59.01384	3.1
63.02399	3.2
65.00333	32.6
66.03502	6.4
67.01897	6.1
68.01415	21.3
68.99820	20.7
69.03474	3.4
75.94200	2.5
81.03456	26.1
81.57821	2.7
83.01400	3.5
84.04546	6.1
86.02487	83.9
90.03500	3.5
91.01913	2.8
93.03454	33.8
95.01382	14.6
95.05086	3.0
99.00874	10.2
101.03979	4.5
107.01400	5.2
107.05058	3.3
108.04568	50.0
109.02970	27.6
109.82948	3.1
110.00104	6.6
110.02493	11.2
111.00933	6.4
112.00446	5.5
113.02451	4.3
117.03494	4.7
118.03049	3.1
119.01427	6.6
119.05040	6.2
123.04581	5.2
124.01687	3.0
127.05593	3.7
130.04170	2.4
131.05042	5.6
133.06609	4.2
135.00876	26.4
135.04529	29.4
136.04022	2.4
136.98834	36.3
137.02438	24.4
138.01955	11.8
139.99918	19.6
141.07118	4.5
143.05049	6.2
145.06618	25.5
147.04549	3.2
148.01694	3.6
148.04041	6.3
149.02477	3.2
150.05620	34.0
151.00407	3.6
151.04007	6.2
151.59113	2.3
152.01207	2.9
153.01984	3.9
157.06650	3.9
162.01956	6.8
163.00398	34.4
163.99915	7.7
164.98312	5.8
165.98970	3.8
167.03477	4.5
169.06602	9.8
171.04530	77.5
171.08168	11.3
172.05013	4.4
173.06046	12.2
176.01158	7.5
178.99879	3.5
179.03505	16.4
180.03023	3.6
180.06741	3.6
181.01445	5.8
185.06090	2.7
187.07701	11.0
195.08167	8.3
197.06125	5.3
197.09695	2.8
198.06818	2.9
199.04056	5.0
199.07726	4.6
203.07141	15.3
206.00980	13.9
211.07637	5.8
213.05621	36.5
213.09113	16.9
215.07153	5.4
221.06050	5.1
222.04117	4.4
223.02359	2.6
223.07689	4.1
225.05582	5.7
226.06241	2.6
231.06682	7.6
237.05682	2.7
239.07123	16.6
241.05107	71.5
241.08667	19.0
242.05391	5.0
243.06651	13.3
255.27390	2.7
256.09821	70.3
257.10324	5.0
267.06631	100.0
269.04617	5.0
270.05011	10.9
282.07648	4.2
285.07684	45.8
285.10904	2.1
299.02090	5.3
310.07303	20.5
314.04297	9.0
328.08487	15.0
328.11786	17.0
329.02838	4.1
329.06696	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56078	0.6
63.02409	4.9
65.00320	1.7
67.01894	1.6
68.99818	3.7
78.15945	0.7
79.95774	1.1
91.01900	9.8
91.61352	0.6
92.99813	5.7
93.03439	0.9
98.22661	2.3
107.01402	4.3
109.02964	1.5
111.00900	0.8
112.00418	2.1
119.01344	1.8
134.02502	1.0
135.00909	15.8
136.98781	1.1
137.02437	1.3
142.42911	0.7
145.06584	1.7
151.43578	0.6
152.10056	0.6
163.00388	100.0
164.00752	4.4
164.98311	6.5
165.27611	0.7
169.06599	1.5
178.01463	2.5
181.01430	1.9
193.06551	0.7
197.06065	1.7
203.99385	0.8
206.00938	1.0
215.07127	3.3
223.02345	0.7
225.05594	6.7
229.06087	0.8
239.07211	4.2
241.05121	1.1
255.06639	2.3
265.05072	1.9
267.06647	69.0
268.07013	5.6
269.04608	4.3
270.04913	0.8
282.07748	3.1
328.08325	16.1
329.06958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89314	0.3
55.01893	0.8
56.53580	0.3
57.03456	2.8
58.00608	0.6
59.01384	45.5
60.46109	0.3
67.01891	0.6
69.03456	0.9
69.94873	1.1
71.01389	27.1
72.01730	0.6
72.99316	51.7
73.02955	16.2
73.99641	0.6
75.00887	0.9
78.95912	6.3
79.95738	0.7
83.01396	1.9
84.02163	0.4
85.02958	29.4
86.03300	0.6
87.00905	0.8
89.02450	13.2
91.60463	0.3
95.01397	6.0
96.96023	20.2
99.00887	1.5
101.02457	14.1
103.00387	15.9
103.03976	0.8
113.02462	47.5
114.02798	1.1
115.00401	0.9
119.03529	0.5
129.01964	1.9
131.03526	12.8
132.03885	0.5
133.01460	4.5
136.93192	1.0
136.94031	4.3
148.96405	0.4
149.04587	0.8
152.91734	4.9
152.92741	0.7
157.01445	3.0
163.02501	2.6
164.93349	0.3
175.02492	4.0
176.02966	0.5
179.94135	0.3
193.03554	100.0
194.03868	3.0
194.92839	1.6
194.94069	0.6
198.90561	1.4
208.90817	1.3
216.90686	0.9
218.93082	0.3
226.91676	0.4
230.94283	0.8
238.87727	0.6
254.85699	1.5
256.88547	0.8
272.85303	0.6
274.89706	2.5
275.89691	0.4
282.85864	0.5
290.87408	1.0
298.89313	0.4
310.86060	0.7
310.89850	0.6
328.90549	1.5
328.95993	0.6
342.51996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0307
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
52.99600	0.3
53.68464	0.3
53.99452	0.3
56.59393	0.3
57.29960	0.3
59.01387	5.0
60.69572	0.3
63.99548	3.2
65.00326	3.6
68.99810	2.3
69.34330	1.6
77.22789	0.4
80.44379	0.5
89.00337	2.2
90.15714	0.3
92.99828	8.6
99.00890	15.5
100.01272	0.4
103.01862	0.4
105.03457	0.4
109.02959	0.6
123.00900	30.8
124.01242	1.1
130.08797	0.5
132.02188	1.3
133.02972	53.0
134.03346	1.8
136.98819	1.4
145.02943	2.3
147.04660	0.3
148.01709	0.6
151.00388	0.7
157.02956	3.1
158.03763	0.9
160.98819	6.7
161.99165	0.4
163.04016	2.5
167.03445	0.6
169.03008	0.9
170.03738	0.8
173.02475	3.1
176.01173	0.8
177.01950	2.3
183.80724	0.3
194.99364	11.4
195.99718	0.5
197.02419	1.8
201.01950	54.5
202.02278	3.2
207.80936	0.4
213.01956	2.4
214.02751	0.8
225.01952	5.2
238.34616	0.4
241.01497	1.0
242.02237	2.9
269.00983	1.6
290.61884	0.4
297.00421	18.7
298.00732	1.3
301.02499	0.5
311.10278	0.4
329.03046	100.0
330.03357	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	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.6
57.03452	6.5
59.01361	4.2
65.00318	5.5
65.04002	1.3
67.01894	11.8
68.99811	7.8
69.03455	24.4
69.33076	1.3
70.14253	3.0
75.04403	1.2
79.01897	17.4
80.02666	2.1
81.03449	6.2
82.00603	3.9
83.01389	15.1
85.02951	11.7
87.00880	4.0
91.05543	1.9
93.03461	5.0
95.01385	30.6
96.02197	1.9
96.99316	6.9
97.02964	23.0
99.00871	4.1
103.05555	3.2
107.01335	1.5
108.02191	6.1
109.02966	12.9
110.00089	4.6
111.00871	21.1
113.02446	5.1
115.05531	18.7
116.22730	1.2
116.73539	1.3
117.03462	3.9
117.07098	3.2
119.05029	7.7
121.02940	3.1
122.03747	3.7
123.00893	100.0
124.01771	7.3
124.98810	3.3
125.02458	36.6
127.05547	34.1
129.07126	1.5
130.04208	1.3
131.05032	23.9
133.06573	9.9
135.00931	3.1
137.02449	25.7
137.99619	1.5
139.00426	8.9
140.01181	2.4
141.07112	8.5
142.99875	4.7
143.05016	8.5
143.08574	1.7
145.06607	15.3
147.03514	1.7
147.04539	19.7
148.01602	2.0
150.03194	5.9
151.00357	1.5
152.01114	1.7
153.01967	20.0
153.07092	8.8
154.99837	3.3
155.03525	2.1
155.08699	3.8
156.05836	3.6
157.06583	6.3
159.04497	1.8
159.08087	1.8
161.06078	41.1
162.06439	2.2
166.02727	1.8
166.99864	27.8
167.08638	3.9
168.00511	1.6
169.01402	1.4
169.06604	18.6
171.04529	16.0
171.08174	22.4
172.05177	1.5
172.08549	1.8
173.06068	6.6
176.01080	3.2
178.99686	1.6
179.08635	1.9
180.05791	4.9
181.01437	14.9
181.06590	10.5
183.08125	3.7
184.05290	16.1
185.06084	7.1
185.09656	3.7
186.06816	1.4
187.07655	13.5
188.07857	1.4
193.06537	3.2
195.08154	22.5
196.05252	1.5
197.06078	23.7
197.09727	5.7
198.06799	7.1
199.04005	2.3
199.07652	38.4
200.08006	2.8
201.05565	18.5
202.05902	1.7
203.07115	1.5
208.05338	2.9
211.07649	11.7
213.05624	3.7
213.09218	17.7
214.06284	4.8
215.07121	8.5
221.05951	1.6
222.06911	1.9
223.07632	31.7
224.04823	3.4
224.07997	2.6
225.05595	33.5
226.06027	3.0
229.04982	9.2
229.08536	1.4
239.07178	17.2
240.07378	2.4
241.05206	8.0
241.08723	26.0
242.09016	3.2
243.06618	10.4
255.06664	1.7
257.08200	24.1
267.06631	70.9
268.06955	5.7
269.04565	3.0
270.05341	7.0
283.05945	2.9
285.04367	3.3
285.07660	31.5
286.07980	4.0
311.05536	3.8
329.06625	47.6
330.07050	4.7
346.25208	1.3
353.31378	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47906	1.2
59.01388	1.5
63.02389	4.2
65.00339	3.5
65.03956	1.4
68.99815	3.4
69.03450	3.1
69.95266	3.9
81.03478	4.4
83.01408	1.6
85.02962	3.3
85.38110	1.3
91.01888	1.8
91.65990	1.4
93.03465	37.5
95.01410	9.6
104.02742	1.8
107.01400	3.0
107.05003	1.3
108.02160	1.7
109.02962	11.4
110.00106	3.1
111.00873	6.8
113.02461	5.5
119.01369	6.6
124.01694	2.3
127.04027	3.9
131.75175	1.3
135.00891	21.1
135.04530	33.2
137.02461	20.0
145.06596	2.1
148.01691	4.3
151.04060	4.7
152.01154	1.7
153.01923	1.3
156.05875	2.5
157.01372	1.4
157.06557	4.5
163.00383	24.1
164.98381	2.5
165.07115	1.4
165.81183	1.6
169.06621	2.9
171.04575	1.9
171.08139	5.5
173.06093	13.8
176.01151	8.9
179.03511	3.7
181.01448	2.7
181.06589	1.3
195.08119	5.1
197.06084	4.4
199.07683	8.7
209.06059	2.0
211.07782	2.4
213.09227	12.2
221.06100	4.1
223.07693	4.9
225.05563	6.5
237.05632	2.1
239.07115	15.2
241.08701	18.5
243.06624	13.7
249.05611	3.2
257.08319	3.2
267.06644	100.0
268.06976	9.0
269.04535	3.0
270.05295	3.3
285.07724	38.9
286.08121	2.2
329.06714	45.3
330.07010	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	329.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41842	2.1
63.02389	4.5
65.00338	6.5
67.01898	1.8
67.29300	1.8
68.99821	4.7
69.03480	3.9
69.93732	4.0
81.03477	6.1
83.01398	4.7
90.22854	1.7
91.01878	2.6
93.03471	42.6
95.01402	12.3
106.21140	2.0
107.01408	3.4
107.05036	3.0
109.02973	18.7
110.00076	5.5
110.99604	1.7
111.00890	8.4
111.54585	2.1
113.02457	8.0
119.01404	8.4
123.00858	2.7
124.01672	5.0
127.04009	3.6
135.00903	28.2
135.04541	31.8
137.02449	20.6
137.03198	1.8
141.07204	2.1
148.01701	3.5
150.03357	1.8
151.04033	5.6
152.01149	2.2
153.02014	2.6
156.05785	3.0
157.01453	3.7
157.06619	6.1
160.05371	2.8
163.00394	24.9
165.07068	2.2
165.99123	2.6
167.08661	2.5
169.06592	3.9
171.04596	2.8
171.08170	7.7
173.06131	15.8
176.01222	9.7
179.03532	4.1
179.08627	2.4
181.01471	4.4
181.06509	2.9
187.07759	1.9
193.06479	2.4
195.08168	7.1
197.06102	5.8
199.07657	9.1
201.05536	2.3
209.06102	3.2
213.05620	2.9
213.09267	11.6
221.06105	3.0
223.07707	5.5
225.05571	7.7
237.05693	4.0
239.07205	16.0
241.08728	23.4
243.06609	13.5
249.05402	2.1
257.08240	4.3
267.06659	100.0
268.06955	8.4
269.04398	2.9
285.07742	44.4
286.08020	3.5
312.13998	2.2
329.06686	60.6
330.06931	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	329.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25671	0.6
59.01381	0.9
59.99518	0.7
63.02380	1.7
65.00324	10.4
67.01886	1.1
68.01401	1.0
68.99828	4.5
69.03461	1.0
71.41086	1.0
72.27519	0.7
72.74482	0.7
78.01118	0.9
79.01897	27.4
80.96516	1.1
81.03459	5.5
83.01379	1.3
86.02479	2.1
92.99817	3.5
93.03474	7.5
93.68396	0.8
95.01377	3.3
96.96012	0.7
96.99313	2.3
107.01378	3.4
109.02965	11.4
110.00089	2.8
111.00860	1.6
113.02494	1.1
117.03458	6.2
119.01417	1.5
120.99322	1.7
123.00888	5.7
123.04467	0.8
124.01634	1.8
125.02410	1.0
127.05499	3.3
131.04985	1.0
133.02969	16.6
135.00893	4.9
135.04552	5.9
136.01581	1.3
136.98811	14.6
137.02458	6.5
139.00412	1.7
141.03485	2.5
141.07115	2.4
143.05006	2.8
144.84743	0.9
145.02971	1.8
145.06598	2.4
146.06909	0.8
147.00891	1.5
148.01668	1.4
149.02475	1.3
150.03212	1.3
151.00383	22.3
151.03954	1.9
152.01077	2.5
153.01933	2.4
153.03317	1.2
153.07062	1.6
155.05043	14.6
157.02945	1.3
157.06650	5.0
163.00383	4.7
164.98308	28.7
165.07121	0.8
165.99063	3.6
167.03491	1.5
169.06602	5.7
171.04532	20.4
171.08192	2.0
172.04907	1.8
173.06055	2.3
173.70773	0.8
176.01115	2.3
178.99782	1.2
179.03471	4.2
180.00629	6.8
181.01405	8.5
181.02975	4.5
181.06566	4.1
182.03464	0.9
183.04515	1.8
185.02422	15.1
185.06068	1.5
185.07774	0.8
187.03987	1.0
195.02921	2.9
195.08138	1.8
197.06082	5.5
199.03973	2.8
199.07663	2.0
201.01843	2.0
201.05696	0.8
209.02499	5.3
209.06125	2.4
211.04010	3.3
212.04707	1.5
213.05568	1.4
213.09242	1.7
214.06036	1.3
221.06000	0.9
223.02490	5.7
223.07619	1.8
225.05542	10.5
226.05922	1.0
227.03430	2.8
227.07117	0.8
230.99391	0.8
239.07143	3.8
241.05055	1.0
241.08829	3.9
242.05426	2.1
243.02968	1.1
243.06686	1.6
253.05072	94.6
254.05341	6.6
255.02776	1.1
255.06662	9.4
267.06613	16.8
268.06943	1.4
271.02505	10.4
285.04382	1.6
285.07675	8.3
297.00360	2.6
299.01990	75.8
300.02301	6.6
313.03644	1.4
314.04358	36.8
315.01346	3.6
315.04297	3.6
329.06635	100.0
329.14102	2.1
330.03619	1.9
330.07007	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	329.0669
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
50.80618	1.0
51.32001	1.1
51.79952	1.0
53.12466	1.1
53.70287	1.2
55.62319	1.3
59.01382	1.9
65.00317	2.8
69.37189	4.6
99.08163	2.4
119.05000	1.7
125.09745	1.7
127.11261	2.1
133.02985	10.6
135.04529	5.2
136.98781	6.4
139.11234	1.6
155.59962	1.1
157.02902	1.1
163.00319	1.6
164.98306	11.3
165.99016	1.7
171.04478	2.3
171.10294	6.2
173.02567	1.4
178.99825	1.4
183.13985	3.1
185.02463	1.4
199.04050	12.3
200.04771	5.4
201.01927	4.4
204.46188	1.5
211.13402	16.7
214.94392	1.2
217.88014	1.2
227.03563	4.5
229.14461	8.5
243.03098	2.7
271.02533	25.2
285.04025	4.3
286.05011	1.1
296.03320	3.0
297.04233	1.2
299.01999	100.0
300.02377	7.8
311.12973	6.3
313.03571	8.3
314.04346	49.3
315.04739	4.8
329.06683	95.5
329.13965	9.5
329.17123	2.9
329.23346	65.0
330.07068	9.4
330.14627	1.4
330.23831	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	329.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47798	1.0
51.76171	1.1
65.00327	10.7
69.47783	5.5
90.47752	1.2
92.99832	2.2
96.99339	2.4
101.29430	1.2
103.85801	1.1
108.99322	1.2
109.67852	1.4
110.00127	1.3
120.99413	1.6
124.01643	1.3
133.02960	27.1
136.98814	23.7
157.02971	1.6
164.98305	52.4
165.99081	6.2
180.00624	9.7
181.01450	4.3
183.04526	1.3
185.02455	3.1
199.03983	2.2
201.02075	1.3
211.04124	1.2
221.28146	1.1
227.03554	2.4
271.02545	12.6
272.03067	1.3
299.01987	95.7
300.02399	8.0
314.04324	47.4
315.04526	3.2
329.06674	100.0
330.06961	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	329.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02879	0.5
67.01877	1.2
69.17477	3.6
79.58715	0.5
95.01392	2.0
97.06165	0.6
101.64675	0.5
102.51300	0.5
110.00093	0.9
117.03468	15.1
119.05002	1.0
123.00888	4.2
124.98813	1.1
127.63747	0.6
136.22659	0.6
143.04976	0.9
145.02921	1.0
151.00397	11.3
151.97580	2.8
166.99928	0.8
171.04536	7.9
172.04907	0.6
178.99879	37.4
180.00168	1.5
180.97797	2.0
185.02455	2.5
187.04059	2.8
194.99350	1.1
197.02348	0.8
199.03998	6.3
199.65767	0.6
212.04822	1.0
215.03485	1.0
227.03500	2.1
229.82719	0.7
239.03578	1.1
240.04276	2.2
243.02992	7.7
255.03044	1.4
268.03735	1.3
271.02502	25.7
272.02847	1.6
277.04385	0.6
285.04193	1.0
296.03210	6.2
299.01993	90.4
300.02380	6.3
313.03568	3.0
314.04346	100.0
315.04730	7.3
329.06683	51.9
330.07037	4.0
343.70480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47759	0.5
65.00336	3.0
69.98907	0.8
69.99220	0.8
106.00425	0.5
110.00075	1.3
133.02948	2.3
136.97844	0.7
136.98779	4.0
139.00412	0.7
147.04498	1.7
155.04977	0.7
159.04552	0.8
163.00345	2.1
164.98277	1.9
165.99069	0.6
171.04521	2.0
171.10234	1.2
172.96092	0.5
175.03975	1.2
183.04558	1.0
185.02435	1.1
187.04041	0.7
199.04007	7.3
201.01924	2.1
201.11446	0.7
203.03464	0.6
211.03981	0.8
215.03525	2.2
227.03525	3.9
241.04857	1.0
241.87840	0.5
243.02982	3.5
255.03050	1.1
271.02512	54.4
272.02823	4.6
283.02625	0.6
284.03262	2.4
285.04016	2.3
297.04285	0.7
299.01993	52.1
300.02341	3.2
306.35474	0.6
313.03574	5.2
314.04346	100.0
315.04678	8.2
329.06689	52.9
329.23257	3.6
330.06894	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34684	0.2
57.74458	0.2
64.99984	0.2
65.00326	3.9
67.01878	0.2
67.23113	0.2
68.99801	0.3
69.03453	1.5
71.40255	0.2
80.82435	0.2
81.03450	0.3
83.01390	0.7
85.02960	0.2
92.99827	0.6
93.03471	1.6
95.01379	0.9
96.99307	0.9
107.01419	0.3
108.99360	0.3
109.02948	0.6
110.00114	0.3
110.02522	0.3
111.00917	0.8
112.98825	1.2
113.02445	0.4
119.01428	0.3
119.05048	0.3
120.99326	0.5
123.00913	1.0
124.01659	0.9
125.02453	0.2
133.02969	6.8
134.03751	0.3
135.00909	1.9
135.04529	2.5
136.98817	8.1
137.02444	1.1
137.99138	0.2
139.00391	1.9
143.05086	0.4
145.06619	0.7
147.24986	0.2
148.01686	0.2
149.02475	0.2
149.99615	0.3
151.00391	0.6
152.01167	3.0
153.01889	0.6
155.05058	0.3
157.01465	0.7
157.02916	0.3
157.06665	0.3
159.04486	0.9
161.02507	0.3
163.00380	2.1
164.01048	0.2
164.98302	12.8
165.98792	0.6
166.99870	0.2
171.04544	1.3
171.08170	0.4
172.05139	0.2
173.02466	0.2
173.06107	0.9
175.04044	0.5
176.01205	0.6
177.01945	0.6
177.99083	0.6
178.99887	0.7
179.03491	0.4
179.08708	0.2
180.00661	1.5
181.01376	0.2
183.04515	1.2
183.80009	0.2
184.04878	0.2
185.02478	0.4
187.03952	0.3
192.00594	0.2
195.08200	0.3
197.06122	0.4
198.03299	0.2
199.04018	9.7
199.07709	0.4
200.04408	0.6
201.01949	4.2
202.02228	0.3
203.03561	0.3
205.01416	0.5
208.68567	0.2
211.04044	0.6
213.09258	0.4
215.03500	0.4
215.07109	0.5
223.07715	0.3
225.05685	0.5
227.03523	4.5
228.03888	0.4
229.01448	0.6
239.03452	0.2
239.07108	1.2
240.04362	0.2
241.05075	0.3
241.08746	1.1
243.02995	2.8
243.06528	0.8
253.01611	0.3
255.03104	1.1
257.08148	0.5
267.03207	0.3
267.06650	3.8
268.03778	1.4
268.06921	0.5
269.04492	0.6
271.02502	19.8
272.02759	1.4
281.01016	0.4
284.03369	0.4
285.04059	2.9
285.07697	2.0
286.04489	0.3
286.07968	0.3
296.03256	2.1
297.03882	0.4
299.01984	95.8
300.02322	7.0
313.03561	5.0
313.06955	0.1
314.04337	44.4
315.04678	3.7
321.30441	0.2
329.06671	100.0
330.06998	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	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	1.1
69.08027	1.8
69.08448	0.9
70.64654	0.4
88.30756	0.5
91.01865	0.4
94.28175	0.4
95.01388	0.5
95.59385	0.4
98.22615	1.1
105.79719	0.5
106.34869	0.4
123.00883	1.0
124.38801	0.4
132.02147	0.5
133.02966	23.3
134.03465	0.9
135.00894	2.3
135.04543	0.7
136.98830	1.2
149.02425	0.7
151.00394	2.2
159.04518	0.9
163.00389	5.4
164.98283	3.8
171.04541	0.9
175.04070	1.1
177.99110	0.8
178.99869	2.3
183.04535	0.8
185.02437	0.5
191.07785	0.5
194.98808	0.4
199.04031	22.1
200.04417	1.3
201.01971	4.9
203.03503	0.6
210.26675	0.4
215.03481	0.7
226.02873	0.4
227.03532	7.0
241.05182	0.6
243.03024	8.0
255.02971	3.2
271.02518	16.1
272.02939	1.0
281.00977	0.6
282.01541	0.7
284.03156	0.8
285.04080	9.0
286.04584	1.1
296.03177	0.5
297.04004	0.8
299.02008	100.0
300.02338	7.7
311.02109	0.8
313.03577	25.4
314.04349	50.3
315.04663	4.4
328.22012	0.7
329.06696	92.6
330.07016	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	329.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37092	0.6
65.00302	1.3
91.01898	1.0
98.21892	1.3
119.99500	0.6
123.00908	1.1
133.02960	22.1
135.00871	2.8
135.04507	1.0
136.98772	2.3
141.82484	0.6
149.02469	0.7
151.00359	2.2
152.01167	0.7
154.29295	0.8
159.04532	0.9
163.00418	3.8
164.98247	4.0
171.04472	1.2
177.99141	0.8
178.99821	1.9
193.99261	0.7
199.04024	20.1
200.04347	1.3
201.01921	4.8
215.03528	1.2
227.03537	7.1
236.84033	0.7
243.03024	5.3
255.03009	3.9
271.02518	10.6
281.01010	0.9
284.03134	0.9
285.04050	8.8
286.04446	0.8
297.03888	0.8
299.01996	94.6
300.02322	7.7
311.02023	1.0
313.03577	27.8
314.04333	44.0
315.04715	4.4
328.22018	1.6
329.06702	100.0
330.07010	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	329.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65237	0.8
55.89030	0.8
59.01385	0.9
66.73996	0.7
69.08125	5.3
72.36799	0.8
93.03452	1.3
103.05573	0.8
112.00545	0.8
115.05601	0.9
117.03477	5.4
121.02962	6.5
122.03754	2.4
122.06130	1.0
123.00909	1.6
123.04499	0.9
125.02474	0.9
133.02998	0.9
135.04565	1.1
135.06871	1.0
135.31554	0.9
136.05336	1.8
136.07756	2.2
137.02451	1.0
143.05034	11.1
145.02972	4.7
147.04556	4.0
149.02496	1.5
150.03268	3.8
151.00417	2.0
158.03752	6.2
159.04538	20.6
160.05321	44.3
161.06111	17.0
163.04044	3.4
164.04803	5.2
171.04538	61.1
172.04901	2.2
173.06139	4.8
174.06932	1.5
175.07657	32.5
176.04762	0.9
176.08029	1.7
177.05617	6.7
178.06358	16.2
178.99893	10.5
180.97867	1.2
183.04642	1.0
185.02431	1.0
187.04047	2.8
189.05635	3.6
192.07941	6.6
193.08707	4.7
199.04028	9.7
200.04359	0.9
215.03571	8.2
216.04213	0.9
217.05122	3.1
225.02313	0.9
227.03523	27.1
228.03946	1.6
240.38708	0.8
243.03004	3.7
255.03085	2.9
271.02530	8.7
285.04053	1.6
285.12579	2.3
296.03326	1.0
299.01996	64.3
300.02402	6.0
300.05264	1.1
311.10416	2.2
314.04355	100.0
315.04678	8.8
329.06738	50.7
329.14108	37.8
330.07126	4.5
330.10657	0.8
330.14252	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	329.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80810	2.1
59.01385	35.7
63.96244	36.5
69.57995	9.2
71.01376	6.6
72.99316	33.7
73.98318	9.1
74.99104	30.7
76.79288	2.2
78.11920	2.2
94.09612	2.3
99.00925	2.6
116.07191	2.9
117.03579	2.2
117.97324	23.5
119.05025	3.9
123.00854	2.4
123.04560	4.3
130.08760	2.8
135.04533	2.9
135.98376	100.0
136.99173	19.3
151.00381	2.2
152.01163	2.8
160.01686	4.6
167.03503	22.6
175.04019	6.3
177.05595	2.2
181.04977	2.9
192.99614	10.5
208.73630	2.3
209.02750	8.6
209.04561	8.8
212.77525	2.4
223.04314	2.3
228.02977	6.4
241.05438	23.4
329.06470	3.1
329.12299	5.3
330.20569	2.7
349.55212	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	329.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98039	12.3
59.01385	7.2
63.96246	19.5
71.01392	1.6
71.46098	1.5
72.59322	1.1
72.99323	13.2
73.98312	6.6
74.99105	71.5
81.80735	1.4
87.00870	10.5
89.02454	1.7
98.40967	1.2
101.02451	1.7
105.03468	1.5
116.07196	3.2
117.97328	14.6
119.05038	1.4
123.00900	1.4
123.04563	1.4
130.08772	2.3
132.02179	3.7
133.02985	1.7
135.98384	88.7
136.99181	25.0
137.00710	1.5
138.03236	3.1
147.99931	1.9
151.04004	2.2
153.05615	3.7
160.01697	34.2
161.02382	5.4
162.03255	2.9
165.00168	4.0
167.03493	6.4
175.04028	30.0
175.99492	1.3
176.04733	3.2
177.00221	1.2
177.01950	4.3
177.05553	3.3
178.02716	4.1
179.03499	1.5
192.04303	3.2
192.99667	65.1
193.05078	5.3
194.00426	9.2
195.01120	1.2
207.01198	1.1
208.00154	1.8
208.02026	22.2
209.02803	39.1
209.04614	5.4
210.03099	2.8
215.79099	1.1
223.04381	12.3
224.04666	1.2
226.03104	2.7
239.05617	1.4
241.05424	100.0
242.05777	7.2
262.72748	1.3
286.17889	2.0
329.03470	1.2
329.06796	7.0
329.17023	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	329.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22197	1.7
57.03458	2.5
58.00585	1.6
58.02982	9.2
59.01382	100.0
63.96244	19.5
67.01904	2.1
69.03440	1.8
69.06583	12.6
71.01385	49.7
71.05025	3.7
72.99310	24.4
73.02972	4.6
73.98314	4.0
74.99093	11.7
79.95748	3.1
80.96543	2.9
81.03490	2.0
83.01405	2.5
85.02966	8.8
87.00889	5.6
87.04490	2.7
89.02454	50.4
95.01428	4.6
99.00875	2.3
100.04092	5.2
101.02448	26.9
101.04286	1.9
107.05054	2.1
111.00899	2.6
113.02457	20.9
114.75158	1.7
116.07218	9.6
117.97341	15.1
119.03518	20.8
123.04540	2.4
127.78460	2.0
134.03746	15.1
134.04636	2.2
135.04524	2.5
135.08208	2.4
135.98369	65.6
136.99187	11.4
137.06143	2.4
137.09651	2.1
139.04007	2.1
149.05052	1.8
149.06088	10.6
155.08630	1.8
167.03514	7.3
167.07137	2.9
179.05612	2.2
181.05157	2.0
197.06148	2.3
197.08128	2.6
209.04601	5.5
215.07217	2.4
223.13451	3.2
227.07175	2.0
227.98106	1.9
241.08699	3.9
241.10893	2.2
256.20300	3.6
259.41510	1.8
267.12384	2.1
285.13348	2.8
311.08054	2.4
311.11383	2.4
325.13489	1.7
329.03244	3.1
329.08694	5.9
329.12390	22.5
330.09659	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	329.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
69.20603	0.5
70.64229	0.6
71.01397	0.7
74.01907	0.4
83.66422	0.4
101.02470	0.6
108.02183	53.2
109.02503	1.5
123.04536	25.2
124.04879	0.7
138.59760	0.4
143.31450	0.4
152.01169	40.0
153.01453	1.2
167.03506	100.0
168.03810	3.6
177.02045	0.6
203.98083	0.5
285.97156	0.4
329.08810	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31640	1.0
55.01877	1.2
57.03455	5.5
59.01385	52.4
67.01880	1.7
68.99818	1.8
69.25983	6.5
71.01386	34.5
72.99312	6.4
73.02952	4.0
73.52828	1.0
75.00881	19.6
83.01385	2.4
85.02960	58.6
86.03310	1.6
87.00896	15.9
89.02452	10.5
95.01398	17.1
98.58132	1.3
99.00888	29.9
103.00385	6.7
106.04231	1.6
107.05045	4.8
111.00887	2.1
113.02460	83.9
114.02771	2.2
115.00378	5.1
117.01954	8.7
120.02193	11.8
123.04530	4.9
129.01944	5.0
135.04539	2.1
138.03255	18.4
150.05658	1.9
153.05589	100.0
154.05913	2.7
157.01422	2.4
159.01419	1.4
175.02501	12.0
180.88991	1.3
187.00957	1.4
216.36902	1.3
231.55203	1.1
237.66078	1.1
249.79851	1.1
329.08887	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	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01876	3.5
57.03444	5.8
58.95533	1.7
59.01384	47.2
60.49311	1.7
67.01891	2.1
69.23314	9.5
71.01391	27.8
72.99303	8.1
73.01786	1.6
73.02956	3.1
75.00884	18.0
78.95936	1.8
83.01380	3.5
84.02160	2.0
85.02955	54.1
87.00889	16.7
89.02458	9.1
91.32407	2.0
95.01400	20.3
99.00891	23.2
101.02454	1.9
103.00371	8.7
105.13735	1.7
107.05070	2.6
108.02184	27.6
111.00883	3.6
111.90210	1.5
113.02462	100.0
114.02744	2.3
115.00385	5.6
117.01961	11.5
120.02186	11.4
123.04543	20.7
125.02425	8.0
129.01920	6.0
135.04581	2.1
138.02213	2.5
138.03217	15.8
145.06293	4.1
147.57024	1.8
150.05661	2.5
152.01167	23.6
153.05592	90.6
154.05904	4.8
157.01448	2.0
167.02135	3.5
167.03513	59.2
175.02477	17.8
206.11436	2.0
223.72392	1.7
255.68323	1.9
329.08917	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	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01384	100.0
65.82955	2.6
67.01884	2.9
70.05002	2.5
70.05322	4.5
71.01386	51.8
73.02946	8.6
74.02470	8.4
83.01404	7.2
85.02959	9.0
87.00891	2.9
87.05666	2.6
88.04026	4.1
89.02454	42.8
95.01395	5.1
98.21910	3.4
99.00896	11.4
101.02442	33.8
104.03544	4.0
107.01392	4.4
108.02200	10.3
109.02970	5.3
111.00887	6.7
113.02485	19.4
119.03512	12.8
123.00902	3.6
123.04521	21.6
128.03458	3.0
129.01944	4.9
130.08754	6.8
143.11929	2.6
151.00381	8.4
152.01166	11.0
159.03006	20.9
166.02725	11.8
166.39844	2.3
167.03514	93.0
168.03804	2.7
181.05049	11.6
194.02231	6.2
209.04562	82.0
210.04941	3.4
213.30652	2.2
213.56033	2.1
223.10988	2.8
235.11401	2.1
239.05623	7.9
249.69081	2.3
259.94870	2.5
269.06680	19.9
280.98679	4.5
293.12332	2.9
300.15726	3.5
300.19183	3.8
312.15527	3.3
315.12869	2.8
328.98822	3.7
329.08810	83.6
330.09314	5.4
330.16714	8.3
330.20789	11.3
349.70450	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	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01389	2.9
61.98829	0.8
66.09624	0.5
70.57179	0.4
71.01375	1.4
78.95911	1.1
81.03449	1.0
82.06705	0.4
88.04039	4.1
90.40519	0.4
101.02465	0.9
108.02184	60.0
109.02515	1.8
112.93958	0.5
123.04538	32.4
124.04863	1.5
149.02451	1.0
152.01166	43.9
153.01497	1.4
167.03510	100.0
168.03836	3.5
169.01433	0.5
169.20290	0.5
172.47012	0.5
188.08369	0.4
189.17450	0.4
196.14638	0.6
200.06073	0.5
200.74159	0.5
209.04587	0.9
237.84737	0.6
264.63657	0.5
266.00986	0.5
329.08832	4.1
329.18314	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	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01379	1.5
65.00318	0.5
69.20150	1.2
70.65664	0.2
71.01389	0.4
71.79221	0.2
81.03461	5.4
83.01392	2.4
91.57095	0.2
95.05048	0.8
99.00858	0.2
107.01412	0.8
108.02168	0.4
111.84457	0.2
116.07202	0.3
120.99635	0.2
123.04536	31.6
123.29031	0.2
124.04864	0.9
125.02453	6.3
126.02805	0.2
130.08745	0.6
135.04524	0.3
135.98369	0.3
139.00430	0.2
139.03993	0.4
147.04543	0.5
148.04913	0.2
149.02455	0.8
151.00385	1.6
153.01999	1.1
153.03006	0.2
154.02715	0.6
161.06851	0.2
163.04018	0.7
167.03506	100.0
168.03839	3.9
169.05035	0.6
180.99696	0.2
185.16663	0.4
191.03531	0.7
209.04604	1.5
211.04367	0.7
232.52937	0.2
241.05318	0.3
281.24020	0.2
286.17770	0.4
319.17325	0.2
329.11761	0.5
330.20148	0.4
354.79700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	29.1
67.01898	2.6
69.73727	5.0
71.01382	11.2
75.00863	2.6
78.55445	1.1
81.03459	2.8
83.01408	1.7
85.02947	3.2
89.02456	7.7
91.01888	4.7
95.01399	2.2
96.96009	3.2
98.21996	1.6
101.02432	4.8
101.55151	1.3
107.01418	3.8
108.02201	10.3
109.02995	7.9
111.00884	2.5
112.93887	1.5
113.02462	3.9
114.05608	3.0
114.93530	2.9
119.03523	2.1
122.03750	2.4
123.00862	2.5
123.04543	23.6
125.02413	3.8
150.03244	2.6
151.00404	12.5
152.01169	15.7
153.01846	1.8
166.02733	22.8
167.03510	73.4
168.03899	1.3
181.05095	16.1
194.02213	14.4
200.14137	2.3
204.92276	2.2
206.91975	2.2
208.91730	3.8
209.04565	100.0
210.04982	6.4
239.05588	10.9
269.06696	28.0
329.16415	1.9
330.20709	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21217	0.7
59.01384	35.9
59.35618	0.7
67.01884	1.5
70.64677	0.7
70.88709	1.1
70.92290	0.7
71.01391	13.9
74.02486	0.9
74.82264	0.9
81.03474	1.5
83.01412	2.0
85.02971	2.8
88.60414	0.8
89.02444	7.9
90.55292	0.7
91.01923	4.3
95.01393	2.4
101.02453	5.2
107.01406	4.3
108.02197	9.6
109.02997	4.9
111.00870	1.4
113.02460	4.7
115.73195	0.7
119.03527	2.7
122.03722	2.8
123.00890	1.9
123.04527	20.3
123.05381	1.4
124.04830	1.0
125.02450	2.8
137.02461	0.8
141.51115	0.8
150.03221	2.8
151.00377	11.6
152.01175	18.7
153.01987	1.3
161.87038	0.9
166.02727	18.2
167.03510	77.7
168.03864	3.0
181.05087	16.1
194.02234	11.5
197.99414	0.8
198.22383	0.8
209.04567	100.0
210.04900	4.5
212.54335	0.8
218.83144	0.9
239.05634	14.4
254.04303	1.8
268.46136	0.8
269.06671	28.3
270.07019	1.8
329.08740	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	329.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43975	2.3
57.30052	2.3
65.00322	6.5
67.01907	3.7
68.99815	6.5
69.03460	45.7
77.03954	5.7
81.03461	40.3
83.01397	17.0
85.02959	4.6
93.03477	14.9
95.01395	7.6
97.09041	2.6
103.41862	3.3
105.03470	32.5
107.01406	4.2
109.02969	6.2
110.00119	4.9
111.00906	5.6
113.02453	7.6
117.03462	3.9
119.05026	11.7
121.02964	11.5
122.03786	2.8
123.00906	5.0
123.04571	6.3
125.02486	3.4
130.04305	3.1
131.04964	5.2
133.02989	5.0
135.00874	10.9
135.04579	12.4
136.98749	5.0
137.02464	16.0
139.00378	4.9
145.06615	23.9
147.04538	10.8
149.02449	10.8
157.01447	46.3
157.02722	5.1
157.05072	4.1
157.06552	7.0
163.00385	9.4
164.98291	11.1
167.08701	6.2
169.06563	4.8
171.04539	23.3
171.08122	6.4
173.06100	20.5
176.01074	4.1
183.08179	6.8
184.05342	2.9
195.08145	2.9
197.06039	5.0
199.04033	7.0
199.07674	7.7
209.09761	31.9
211.07678	23.0
213.09271	7.0
216.01756	2.9
223.07661	3.4
225.05457	4.4
225.09264	4.6
239.07175	13.0
241.08762	13.6
243.06613	18.5
253.08716	100.0
254.08983	7.5
257.08084	3.6
267.06683	35.4
267.09573	4.1
271.02496	9.5
285.04419	4.5
285.07709	27.6
285.10855	5.0
286.08270	3.4
299.01962	58.5
299.04953	4.0
300.02261	4.7
305.55560	2.7
311.05978	3.0
313.03592	3.8
314.04471	24.8
329.06607	82.7
329.23264	5.4
330.07074	7.6
343.82800	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	329.103
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
50.88960	0.8
63.07645	0.8
64.58182	0.8
65.00329	4.9
67.01897	2.0
68.14254	0.8
68.99819	1.5
69.03464	4.5
69.60001	2.7
69.60344	1.3
78.01106	4.1
83.01405	2.0
91.01912	5.9
92.02716	1.0
92.99853	0.9
93.03464	32.7
94.03834	0.9
95.01395	1.1
109.02979	3.3
110.00120	0.9
111.00902	1.3
117.03526	1.3
121.02969	4.4
122.03764	2.5
123.00930	2.0
125.02464	6.6
133.02977	2.7
135.00909	3.2
135.04549	3.5
136.98833	3.2
137.02464	8.5
139.00385	1.2
143.05038	0.9
144.23180	0.9
149.02477	3.5
149.99641	2.6
150.03247	29.0
150.07233	0.9
151.03870	0.9
152.01190	0.9
157.01447	2.3
157.06570	1.1
163.00380	9.0
164.98206	4.0
165.00522	1.5
165.01939	30.7
171.04564	3.0
173.06084	3.6
178.02747	13.9
180.05757	0.9
181.06598	1.0
183.04532	0.9
193.01437	20.1
195.08110	1.1
197.09789	2.4
199.04051	2.0
199.07680	1.1
201.01953	1.3
207.08208	2.0
209.09750	2.7
211.07706	4.1
213.05653	1.2
213.09285	1.4
225.05568	0.9
225.09279	2.3
226.06393	1.4
227.07149	7.0
233.57603	0.8
235.07741	1.4
239.07124	1.5
241.08745	3.7
243.03021	0.9
243.06764	1.7
251.07118	7.7
253.08766	4.3
254.05902	1.0
255.06682	2.1
257.04575	2.0
267.06635	10.5
269.08206	76.3
270.05615	1.4
270.08487	5.9
271.02560	5.6
279.06656	5.9
285.04507	1.5
285.07745	4.3
292.18988	0.8
297.07697	100.0
298.08075	8.6
299.01974	24.5
300.02496	1.7
311.09021	0.8
313.03510	1.4
314.04312	10.1
315.04715	1.1
329.06610	26.5
329.10330	71.9
329.23346	3.2
330.06918	2.1
330.10638	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	329.1034
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
55.32195	0.8
65.00330	1.4
67.01897	2.2
68.99818	1.2
69.03459	2.6
69.42403	0.8
69.95072	1.9
69.95397	1.2
72.02063	0.8
78.01118	4.6
91.01903	6.7
92.02676	1.6
93.03468	29.8
115.03780	0.9
121.02980	4.5
122.03726	2.7
125.02451	7.7
135.00926	1.1
136.98836	1.7
137.02441	7.6
137.99529	1.0
149.02444	2.1
149.99574	3.5
150.03233	30.0
151.03561	1.3
157.06616	1.2
159.08052	0.9
162.03218	1.1
163.00401	8.6
164.98315	3.7
165.01952	29.0
166.02225	1.0
171.04568	2.1
173.06111	1.7
178.02733	14.4
179.08684	1.2
180.05795	1.5
181.10216	1.3
193.01453	18.6
194.01752	1.6
197.09737	1.6
199.03987	2.0
201.02013	1.1
207.08269	2.1
207.56042	0.9
209.09735	1.8
211.07622	4.0
212.04842	1.8
213.05713	1.1
223.07794	1.9
225.05635	1.2
225.09273	2.1
225.34698	0.9
226.06422	1.2
227.07199	5.7
238.06319	1.1
241.08655	4.6
251.07227	6.5
253.08788	4.8
254.05746	1.9
255.06564	2.6
257.04712	1.8
267.06616	2.9
269.08206	76.7
270.05725	1.3
270.08432	5.6
271.02454	2.2
279.06656	5.8
297.07709	100.0
298.08044	8.0
299.02020	13.3
300.02246	1.1
314.04437	6.0
314.11652	5.8
329.06610	16.1
329.10278	77.2
329.13876	7.0
329.23352	2.5
330.07065	1.7
330.10626	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65770	0.8
55.01884	1.2
57.02188	0.9
57.03448	1.9
58.00589	1.6
59.01385	100.0
60.01724	1.2
62.60846	0.9
63.96246	11.9
66.35827	0.9
67.01897	1.4
68.99808	1.0
69.13805	5.4
71.01389	46.9
72.01746	1.0
72.99318	13.6
73.02954	3.1
73.98333	2.7
74.99102	6.6
79.63357	1.2
79.95751	1.3
80.00993	0.8
80.74310	0.9
80.96524	1.7
83.01396	3.5
85.02965	9.3
85.03799	0.9
86.02511	1.8
87.00891	4.0
89.02454	55.5
91.81373	0.9
95.01393	4.0
96.00940	1.8
98.21957	2.1
99.00900	3.5
101.02451	26.5
109.02953	1.5
113.02462	19.1
117.97331	7.0
117.98923	0.8
119.03519	22.8
121.06609	1.2
123.04537	1.2
127.07628	0.9
131.03497	2.1
134.03749	14.7
135.04178	1.2
135.98373	33.8
136.99199	5.9
137.06039	1.8
142.01483	1.2
143.03456	2.0
145.06653	2.1
149.06114	8.6
161.02461	1.3
161.04594	1.4
162.86281	1.1
167.03494	3.8
167.07068	1.7
173.06114	1.2
179.05565	2.4
180.03065	2.2
205.12346	1.1
209.04564	3.6
215.07150	3.4
223.13464	1.3
241.05199	1.5
241.08775	1.5
263.44751	0.9
267.06613	1.9
285.07394	1.3
311.11252	1.2
329.08563	2.5
329.12372	11.1
329.23520	1.2
330.13025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15897	1.3
59.01386	100.0
69.94668	3.2
71.01393	6.7
73.02956	2.1
81.77926	1.0
82.02980	1.1
85.02946	2.0
94.13517	0.9
99.00887	1.6
101.02445	4.9
113.02483	1.5
123.04539	2.9
124.36799	1.0
130.08769	6.4
133.02969	2.3
135.98299	1.3
155.08420	0.9
161.04565	4.0
165.12701	1.0
167.03487	9.7
168.40714	1.0
209.04591	3.6
269.10318	2.6
286.17737	3.7
293.10580	1.2
299.40106	1.1
329.03046	2.8
329.14221	2.0
330.20596	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	329.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03453	2.0
58.00576	0.9
59.01385	100.0
59.37731	0.8
60.01703	1.5
65.00311	1.6
67.01883	1.2
68.99802	0.9
69.50739	3.0
71.01390	46.4
72.01727	1.0
72.99313	3.5
73.02953	2.4
75.00887	0.9
78.27238	0.9
79.95737	10.5
80.96513	3.5
81.03454	3.1
83.01382	5.0
83.05058	0.9
85.02953	10.5
87.00890	3.0
89.02455	52.9
93.03470	3.2
95.01396	18.8
95.04997	1.4
96.96002	2.8
97.02988	1.3
99.00882	0.9
99.04568	0.8
101.02451	29.2
102.28992	0.7
107.05035	1.8
109.02956	4.0
111.00913	1.1
113.02455	18.6
114.02770	0.8
117.03441	1.2
119.03518	23.5
119.04963	1.7
121.02965	1.5
123.03630	1.1
123.04533	16.4
125.02444	2.8
125.05032	0.8
125.06084	1.0
129.05666	0.8
131.03508	2.2
133.02969	4.6
134.03777	12.6
135.00867	1.7
135.04581	3.8
136.98802	1.0
137.02452	3.3
137.06088	0.9
137.09741	0.8
139.00395	20.1
139.03978	1.2
140.00800	0.8
142.01480	1.1
143.03531	1.0
145.02908	1.1
147.04442	1.5
149.02463	1.7
149.04541	1.5
149.06070	9.6
151.00343	0.8
151.04030	1.7
152.01201	0.8
152.04784	1.2
153.01947	0.9
161.02469	1.4
161.04640	1.3
161.06139	1.3
161.09712	1.6
163.00328	2.5
163.04079	0.9
167.03514	40.1
167.07159	1.5
168.03773	1.5
171.08058	0.9
173.02388	0.7
173.06110	1.3
176.01212	0.8
179.03496	2.7
179.05617	1.5
181.05098	1.7
187.03944	1.2
187.07632	1.2
191.03526	9.1
195.08220	1.2
197.06096	1.2
197.09755	1.2
201.01955	13.3
203.07109	1.4
205.08714	1.1
205.12286	1.1
209.04506	3.8
213.05553	0.8
213.09164	1.2
215.07111	1.1
219.10236	0.8
223.02411	1.5
223.13474	1.1
225.02032	1.6
239.07182	1.5
241.05080	1.5
241.08716	3.0
241.14511	1.2
249.05675	1.5
267.06689	7.3
267.12552	1.2
285.04633	1.5
285.07822	6.7
297.00385	9.9
298.00653	1.6
329.02966	2.0
329.06885	8.5
329.12216	9.9
329.16248	1.2
329.97873	0.8
330.10056	1.5
354.82053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
78.36286	0.4
87.00874	0.5
90.92018	0.3
93.03456	2.3
109.02956	1.9
119.05048	0.8
121.02970	23.7
122.03272	0.8
123.04543	0.6
133.02939	0.4
135.04549	4.0
136.05299	0.5
137.02502	0.5
138.08333	0.4
147.04543	9.8
148.04930	0.6
150.03278	0.5
151.23492	0.4
158.03740	2.0
159.04529	8.1
160.05318	13.2
161.06090	4.7
163.04007	1.2
164.04837	0.9
173.06078	1.6
174.06816	1.0
175.07657	9.5
176.08000	0.7
177.05573	1.7
178.06386	4.9
184.05305	0.5
189.87926	0.4
192.07957	4.2
193.08551	0.8
196.05283	1.4
197.06166	0.4
198.06830	0.6
209.06096	0.5
210.06828	0.8
211.03973	1.7
211.07594	0.4
212.04808	5.1
213.05251	0.5
213.09128	0.5
222.06795	0.9
223.07654	1.4
225.05550	1.3
225.09209	0.9
226.06439	2.1
229.08893	0.5
235.07764	0.5
237.05550	1.0
239.03482	0.6
239.07153	0.7
240.04303	4.7
240.07991	0.5
241.04837	0.6
241.08743	3.1
243.10184	2.0
250.06430	0.8
251.07147	2.7
253.05002	0.8
253.08669	2.0
254.05861	9.3
254.08862	0.6
254.09561	0.6
255.06372	1.3
255.10284	1.5
263.07181	1.0
265.08545	0.5
267.06702	0.7
268.07321	1.2
269.08209	62.4
270.08618	5.4
271.09784	7.8
272.10254	0.6
281.08206	10.7
282.08780	1.6
283.09793	4.1
284.10486	0.9
286.04840	0.7
298.08597	0.7
299.09268	45.4
300.09634	4.5
313.10785	2.1
314.11627	62.5
315.11975	6.4
329.13956	100.0
330.14276	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	329.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.8
71.40004	1.3
79.95721	1.3
83.38265	1.0
93.03463	2.4
95.13634	1.1
98.02491	3.0
109.02985	2.3
118.98069	2.2
119.05050	4.1
121.02973	23.8
123.00952	1.2
133.03004	2.6
135.04527	4.6
147.04509	6.9
149.45135	1.0
154.16290	1.3
155.41087	1.2
159.04498	2.1
160.52370	1.0
168.03023	1.0
171.10335	1.6
183.01181	2.4
192.07971	1.2
196.02568	2.5
196.05118	1.1
212.04817	4.5
223.07698	1.7
225.05580	1.7
225.09138	1.6
226.06334	1.4
240.04214	3.9
241.08713	2.1
251.07126	1.4
253.04980	1.8
253.08606	3.0
254.05931	7.4
268.07294	1.8
269.08273	56.2
270.08643	6.1
271.09784	4.2
281.08191	10.0
282.08853	1.6
283.09738	2.6
299.09277	42.0
300.09625	3.3
311.12775	1.8
313.10938	1.7
314.11639	62.1
315.11990	5.7
329.13992	100.0
330.14310	9.1
330.20688	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	329.1397
Annotation	Dihydroconiferyl dihydro-p-coumarate
Peak:m/z	Relative Intensity
59.01391	2.8
71.40004	1.3
79.95721	1.3
83.38265	1.0
93.03463	2.4
95.13634	1.1
98.02491	3.0
109.02985	2.3
118.98069	2.2
119.05050	4.1
121.02973	23.8
123.00952	1.2
133.03004	2.6
135.04527	4.6
147.04509	6.9
149.45135	1.0
154.16290	1.3
155.41087	1.2
159.04498	2.1
160.52370	1.0
168.03023	1.0
171.10335	1.6
183.01181	2.4
192.07971	1.2
196.02568	2.5
196.05118	1.1
212.04817	4.5
223.07698	1.7
225.05580	1.7
225.09138	1.6
226.06334	1.4
240.04214	3.9
241.08713	2.1
251.07126	1.4
253.04980	1.8
253.08606	3.0
254.05931	7.4
268.07294	1.8
269.08273	56.2
270.08643	6.1
271.09784	4.2
281.08191	10.0
282.08853	1.6
283.09738	2.6
299.09277	42.0
300.09625	3.3
311.12775	1.8
313.10938	1.7
314.11639	62.1
315.11990	5.7
329.13992	100.0
330.14310	9.1
330.20688	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	329.1759
Annotation	Tricalysiolide E
Peak:m/z	Relative Intensity
55.01883	1.9
56.29299	0.4
57.03450	3.8
58.33678	0.4
58.50166	0.4
59.01376	3.5
62.34322	0.4
62.68417	0.4
65.03979	0.7
69.03448	2.5
69.28595	1.6
71.01373	0.5
71.04990	0.4
76.25971	0.4
78.69402	0.4
81.03458	1.6
83.05017	1.2
85.02950	8.3
90.82876	0.4
93.03466	0.5
95.05020	1.1
96.95367	0.4
97.02957	39.2
97.06593	0.9
98.03298	1.2
99.00889	2.9
107.05047	1.9
108.02181	8.5
109.02966	12.5
109.06589	1.3
111.04556	0.7
111.08192	0.5
119.08636	2.5
120.05823	1.0
121.02964	1.7
121.06627	1.6
122.03770	0.5
123.04546	9.1
123.08180	1.0
124.01633	1.0
125.09721	1.3
133.02922	0.5
133.06570	0.7
133.10260	1.0
135.04527	2.3
135.08167	2.3
137.02423	0.5
137.06097	1.6
137.09712	0.9
137.61998	0.4
139.07666	1.2
147.08200	0.7
148.05325	0.6
149.02426	0.9
149.06090	1.2
149.09737	1.1
150.03133	0.4
153.09225	3.7
159.08147	0.7
161.06120	1.1
162.03268	0.8
162.06767	0.5
163.04025	1.5
163.07640	3.1
163.11349	0.4
164.04794	3.1
171.10240	0.8
175.03986	0.4
175.11308	0.7
177.05582	0.6
177.09207	0.9
178.06355	1.4
199.15228	0.4
203.07275	0.6
205.12347	1.0
211.07686	0.8
219.03014	0.8
225.12785	0.8
227.14503	1.6
229.16087	0.5
234.58365	0.4
239.10756	0.8
241.16045	1.3
242.13138	0.5
243.13960	5.1
243.16586	0.4
243.17563	0.7
244.14305	0.6
253.12355	2.4
254.13054	1.0
255.17628	1.2
257.15479	0.8
257.19122	1.6
263.10623	0.7
267.17563	6.0
269.12451	0.5
269.15421	2.9
270.16141	0.7
271.13559	2.9
277.12247	2.1
278.13120	3.7
281.11771	2.4
283.17081	4.6
285.18613	8.5
287.16638	2.2
293.15460	5.7
294.15829	0.5
295.13406	0.5
296.14160	1.7
299.01910	1.2
301.18085	1.3
311.16547	17.8
312.16852	1.6
314.04269	0.7
329.17593	100.0
330.17950	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1761
Annotation	CHEBI:70556
Peak:m/z	Relative Intensity
53.00380	0.6
55.01880	2.1
57.03450	1.6
59.01387	0.8
59.21117	0.6
69.03473	1.1
71.42976	0.6
81.03485	0.6
83.05061	0.7
85.02962	7.8
95.05041	1.0
97.02959	38.9
98.03308	1.2
99.00894	3.9
107.05028	1.3
108.02183	2.5
109.02982	1.3
109.06598	1.5
113.06128	1.1
119.08667	2.5
120.05834	1.3
121.06602	2.0
122.03747	1.2
123.04537	2.6
125.02447	0.6
125.09737	1.2
133.02917	1.1
133.10330	0.5
135.04559	1.7
135.08157	2.0
137.06082	1.7
137.09741	1.2
139.07668	0.8
147.08150	0.6
147.42972	0.5
149.02472	1.2
153.09193	4.1
154.68608	0.6
160.05521	0.7
163.07632	3.1
165.09296	0.8
199.04004	1.2
219.18532	0.6
241.16093	1.1
243.17599	0.7
255.17654	1.1
257.19107	1.2
267.17618	2.3
269.15393	1.0
271.02585	0.9
283.17099	3.4
285.15448	1.2
285.18539	6.5
293.15601	1.1
296.14337	0.8
297.04105	0.6
299.02032	4.6
301.18155	2.5
311.16522	4.4
311.20020	1.1
312.16815	0.8
314.04367	3.2
329.06924	5.7
329.17603	100.0
329.23157	3.9
330.17792	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	329.1761
Annotation	Przewalskin B
Peak:m/z	Relative Intensity
58.98359	0.4
65.03951	0.6
81.03456	1.6
96.95994	0.7
97.02952	1.4
107.05042	0.4
122.03754	3.1
133.02943	0.5
133.06610	1.0
135.04521	1.1
136.01682	0.7
140.26810	0.3
149.02460	3.7
150.03229	4.4
161.06120	1.6
162.03238	0.5
163.03990	1.6
163.11272	0.7
164.04866	0.4
165.05580	1.5
177.05602	3.2
191.03465	0.8
191.14442	1.0
200.02699	0.5
203.14514	0.5
205.05086	2.6
206.05750	1.0
241.15907	0.4
242.13246	0.7
244.14832	0.4
245.11885	0.7
247.13466	1.5
254.99373	0.5
255.02229	0.4
257.08185	1.4
257.19128	1.2
265.14847	1.3
267.13934	0.9
267.17395	0.4
268.14700	2.1
269.15283	0.6
273.11334	1.9
273.18695	0.5
283.16998	3.4
285.15158	1.0
285.18677	2.2
288.13669	1.6
296.14008	0.5
299.01993	1.4
301.18069	3.9
302.18512	0.5
311.16550	6.6
312.16977	0.8
313.14496	0.8
314.04263	0.8
329.07248	2.2
329.17603	100.0
330.17941	10.2
330.21774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1762
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
59.01360	1.2
62.12261	0.9
65.00334	1.0
67.01904	1.5
70.17738	1.5
70.18048	1.3
73.63598	1.1
78.95895	1.1
83.05048	1.7
85.39544	0.9
95.05012	1.3
97.06609	8.9
99.08160	2.6
100.74306	0.8
107.05025	1.1
109.02938	1.2
123.08138	1.0
125.09735	2.9
127.11318	3.3
129.09218	1.4
133.02963	7.3
134.03743	1.0
135.04494	1.3
136.05309	1.0
139.11296	2.1
149.09732	2.6
150.06876	3.8
151.07654	1.7
151.11269	2.6
155.10776	1.2
160.31752	0.9
163.00395	1.3
163.07698	1.5
165.09244	1.8
169.12306	1.4
171.10303	10.8
175.04050	1.5
177.09177	1.6
178.09993	1.2
184.01564	1.9
185.00708	6.6
189.05559	3.3
193.08760	2.9
197.11961	1.4
199.04044	5.4
199.13385	3.7
200.08418	3.4
201.01924	1.3
201.09265	1.9
201.11317	6.1
202.06300	1.7
204.07927	6.9
207.13942	10.1
211.13390	4.7
215.07164	3.2
215.10764	6.3
217.08647	1.9
218.09508	2.7
227.03535	1.8
229.12399	4.7
229.14381	1.9
230.13087	4.5
231.10263	10.1
232.10985	4.5
233.11949	1.5
243.02959	1.7
248.14139	3.0
255.02895	1.6
255.10539	1.2
255.13803	1.3
262.12198	1.2
269.12061	1.2
271.02524	5.3
271.13348	1.5
281.11893	4.6
282.12561	1.1
283.09894	2.7
283.16757	1.3
285.04019	2.7
285.11298	3.0
285.14951	4.0
285.18228	1.0
296.14243	6.6
299.01987	30.7
299.12903	70.1
300.02350	2.5
300.13669	85.5
301.13998	5.0
311.13330	2.0
311.16565	12.3
311.22098	2.3
313.03564	8.1
313.14468	3.2
314.04361	17.3
314.15268	40.9
315.15591	3.5
329.02869	1.7
329.06717	28.3
329.17438	100.0
329.23309	61.4
330.06924	2.2
330.17783	8.6
330.23795	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	329.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80941	0.3
54.76447	0.3
57.03450	0.6
59.01375	0.6
61.98812	0.4
62.87891	0.3
69.03448	0.4
69.28364	1.8
85.02967	1.1
97.02962	9.6
99.00900	0.5
108.02152	0.6
120.05775	0.4
123.04524	0.3
125.77487	0.3
135.08212	0.3
139.11266	0.3
153.09216	0.5
159.08205	0.3
163.07642	0.5
175.04012	1.0
188.04807	0.8
189.05629	0.8
207.09952	0.8
242.13049	0.5
255.10243	2.3
257.15515	0.6
267.10236	1.3
267.17749	0.3
269.11783	2.3
270.12631	0.9
271.02463	0.4
274.13916	0.3
281.11920	0.7
283.13574	0.8
283.17087	0.6
285.14996	26.1
285.18268	0.9
286.15289	2.7
299.02066	0.6
299.12943	0.5
311.12982	0.4
311.16537	8.9
312.16925	0.9
313.14294	0.5
314.04324	0.5
314.15179	0.4
327.16095	1.5
329.17603	100.0
330.17926	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64196	0.2
61.55855	0.2
61.96889	0.3
61.98811	0.3
69.06563	1.6
78.60808	0.2
117.96806	0.3
130.49718	0.3
170.88481	0.3
170.91188	0.5
175.04012	1.0
188.04826	0.8
189.05566	0.7
190.06404	0.3
201.05623	0.3
241.08771	0.3
241.16197	0.4
253.08734	0.3
255.10234	2.5
257.15509	0.8
267.10339	1.0
268.10864	0.3
269.11862	2.7
270.12680	1.4
281.11838	0.8
283.13425	0.9
284.14032	0.3
285.14990	28.4
286.15274	3.0
295.13373	0.4
299.02054	0.9
299.12943	0.4
311.16565	7.8
312.16922	0.6
313.14432	0.4
314.04352	0.7
314.15033	0.5
327.16022	1.9
329.17599	100.0
330.14075	0.5
330.17950	9.1
330.21814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.25417	0.5
57.03454	0.4
58.00600	1.1
59.01387	2.4
65.99991	0.4
69.62919	1.4
73.02946	0.5
78.92445	0.4
84.02175	0.7
97.06631	0.5
98.22656	0.9
104.13450	0.4
119.04977	0.8
121.10267	1.0
125.09742	4.2
127.11301	7.6
129.09294	0.6
133.02940	0.8
135.39897	0.5
137.09747	1.4
139.11311	6.5
143.10782	0.6
155.04045	0.4
155.10794	3.2
165.09273	1.8
171.10289	37.5
172.10649	2.6
183.10248	1.2
185.11876	1.2
187.12498	0.5
199.03998	1.0
199.09813	1.4
201.11346	24.7
202.11673	1.1
211.13480	2.6
213.11317	1.0
229.14426	1.0
243.03059	0.7
271.02399	1.2
275.20303	1.8
285.04199	0.5
293.21201	2.1
299.02020	4.9
299.09756	0.5
299.12900	2.0
300.02161	0.6
300.13687	1.7
311.22311	2.6
313.03464	1.0
314.04330	3.3
314.15314	0.8
329.06714	4.2
329.17102	3.1
329.23349	100.0
330.07104	0.6
330.23700	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	329.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47085	0.3
50.64677	0.3
52.73191	0.3
54.46423	0.3
54.60574	0.3
55.75140	0.3
57.03447	0.7
68.85159	0.3
69.03468	0.9
69.16022	1.4
69.16425	0.7
71.05032	0.3
73.19265	0.3
81.03478	0.3
83.05035	1.0
88.55447	0.3
97.06594	0.6
99.08158	4.8
101.31918	0.3
101.98445	0.3
110.00162	0.5
117.03481	1.0
125.09745	2.0
127.11295	2.6
129.09235	1.0
133.03020	0.3
136.98862	0.3
137.09818	0.5
139.11281	0.9
151.00394	0.7
155.10838	0.5
155.14429	1.2
165.12846	0.6
165.99066	0.5
167.10851	0.5
167.14351	1.5
171.04585	0.7
171.10277	5.3
178.99879	1.8
183.13907	6.6
185.02411	0.5
187.04063	0.4
193.12402	2.1
199.04082	0.7
199.13405	0.7
201.11359	1.4
209.11838	1.7
211.13409	35.5
212.13757	1.9
227.03497	0.3
229.14458	17.2
230.14825	1.2
243.03107	0.7
271.02512	3.1
272.03030	0.4
293.21240	1.0
299.01996	7.1
300.02280	0.5
300.75043	0.4
311.22272	1.0
313.03659	0.4
314.04337	8.9
315.04657	0.9
316.30151	0.3
329.03043	0.6
329.06622	5.8
329.23349	100.0
330.19803	0.6
330.23718	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	329.2335
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
50.47085	0.3
50.64677	0.3
52.73191	0.3
54.46423	0.3
54.60574	0.3
55.75140	0.3
57.03447	0.7
68.85159	0.3
69.03468	0.9
69.16022	1.4
69.16425	0.7
71.05032	0.3
73.19265	0.3
81.03478	0.3
83.05035	1.0
88.55447	0.3
97.06594	0.6
99.08158	4.8
101.31918	0.3
101.98445	0.3
110.00162	0.5
117.03481	1.0
125.09745	2.0
127.11295	2.6
129.09235	1.0
133.03020	0.3
136.98862	0.3
137.09818	0.5
139.11281	0.9
151.00394	0.7
155.10838	0.5
155.14429	1.2
165.12846	0.6
165.99066	0.5
167.10851	0.5
167.14351	1.5
171.04585	0.7
171.10277	5.3
178.99879	1.8
183.13907	6.6
185.02411	0.5
187.04063	0.4
193.12402	2.1
199.04082	0.7
199.13405	0.7
201.11359	1.4
209.11838	1.7
211.13409	35.5
212.13757	1.9
227.03497	0.3
229.14458	17.2
230.14825	1.2
243.03107	0.7
271.02512	3.1
272.03030	0.4
293.21240	1.0
299.01996	7.1
300.02280	0.5
300.75043	0.4
311.22272	1.0
313.03659	0.4
314.04337	8.9
315.04657	0.9
316.30151	0.3
329.03043	0.6
329.06622	5.8
329.23349	100.0
330.19803	0.6
330.23718	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	329.2336
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
51.73499	0.3
53.48444	0.3
57.03445	1.2
60.23380	0.3
69.03459	0.6
69.52412	1.4
81.11647	0.3
83.05029	0.8
84.02167	0.4
85.02981	1.0
97.06630	0.6
99.08170	6.4
123.08222	0.4
125.09731	1.1
127.11319	3.6
137.09753	0.4
139.11320	2.3
155.10779	0.7
155.14458	1.4
157.12329	0.4
165.12851	1.1
167.07140	0.3
167.14394	2.1
171.10278	9.3
172.10599	0.6
179.12456	0.3
183.13936	8.2
184.14195	0.5
193.12373	2.1
201.15181	0.4
209.11815	1.8
211.13426	39.5
212.13771	2.3
229.14465	18.7
230.14841	1.2
293.21143	0.8
299.02094	0.4
311.22333	0.8
329.23364	100.0
330.23715	7.3
353.93002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1196
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
57.03442	1.1
59.01385	12.0
70.02988	0.9
71.01387	6.0
72.99318	2.5
73.02953	2.3
78.95915	6.7
83.01393	1.7
84.90852	0.9
85.02973	3.0
86.00105	2.8
87.00885	21.6
87.01395	1.5
88.04058	1.1
89.02460	3.5
90.97159	2.8
95.01398	1.1
95.99821	0.9
96.97003	1.4
98.21960	0.9
99.00891	1.1
101.02448	6.6
107.03725	3.0
108.02186	4.9
108.02827	0.8
108.04560	1.5
108.97329	0.8
109.02516	2.7
111.00871	1.3
113.02477	3.7
114.02039	1.1
117.01984	1.1
121.05352	3.9
122.06133	42.0
123.04551	1.4
123.06483	1.9
124.04888	1.9
125.02462	3.5
125.27514	0.8
129.01949	1.5
130.08748	7.4
131.00339	1.1
131.08279	9.6
131.09161	1.4
134.04744	7.9
134.06111	4.4
135.03313	1.9
135.05156	1.5
136.04024	1.5
136.07693	18.3
138.05655	1.4
140.00343	2.3
141.98157	0.9
145.09773	0.9
146.06186	1.8
148.04155	0.9
148.07739	1.9
149.04825	1.8
150.05620	100.0
151.05952	4.0
152.01164	2.3
152.07182	8.4
153.01596	1.1
154.91646	1.1
155.91624	1.2
156.91312	2.8
158.99733	1.7
161.04729	0.9
162.05632	2.8
164.07199	3.2
166.03015	1.6
167.03523	4.0
168.03896	5.2
168.06790	1.0
169.01439	4.8
173.01360	1.6
174.05627	2.2
175.06447	4.3
176.07184	8.7
186.12451	1.1
192.06659	2.5
194.08249	3.9
198.99249	9.5
204.06720	2.5
208.04004	1.6
212.03545	2.6
222.07816	4.3
242.07225	2.8
248.05603	1.3
252.08763	2.1
254.04575	14.0
270.06604	20.4
271.07248	14.1
311.99213	0.9
312.10910	47.4
313.11230	4.3
329.99753	1.2
330.04987	1.7
330.08691	4.5
330.11984	24.2
330.15231	1.4
330.22086	1.2
331.06598	1.8
331.12311	1.9
331.16132	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16750	0.1
51.27717	0.1
52.73244	0.1
59.01347	0.2
65.00333	10.8
65.00648	0.5
65.00814	0.4
68.99794	0.3
69.31947	0.6
82.00584	0.4
92.99780	0.2
94.00574	0.1
95.01369	0.3
96.99296	0.2
98.21851	0.3
107.01325	0.1
108.02131	0.5
108.99269	0.6
110.00115	2.4
111.00890	1.1
114.09228	0.1
116.92853	0.3
117.03425	0.2
119.04990	0.1
120.02144	0.2
120.99608	0.3
122.00089	0.1
123.00853	0.5
124.01636	0.3
124.98745	0.4
133.02928	0.2
134.03737	0.3
135.04486	0.3
136.01624	0.2
136.98824	10.7
137.99391	0.5
139.00412	1.4
140.01103	0.1
145.02925	0.2
146.03691	0.4
148.01660	0.4
148.05260	0.1
149.01299	0.1
149.02457	3.9
149.99637	1.2
150.03244	7.7
151.00320	0.2
151.03758	0.4
152.01143	0.2
158.03830	0.2
159.04495	0.4
160.01723	0.2
160.05275	0.4
161.02481	0.9
162.03227	0.4
163.00357	0.2
163.04018	0.2
164.01152	0.9
164.04762	0.3
164.98312	1.0
165.99098	2.8
166.99924	0.9
170.03888	0.2
171.04512	0.3
173.02370	0.6
174.03250	1.0
175.04019	0.6
176.01083	0.6
176.04747	0.6
177.01852	0.5
177.99039	0.2
178.99902	0.2
182.03741	0.2
185.02438	0.3
186.03178	0.2
187.04015	0.9
188.04797	0.9
189.01945	1.1
190.02740	1.5
190.99765	0.2
191.03403	0.5
198.03230	0.4
199.04074	0.6
201.01993	1.1
202.02647	0.4
203.03537	1.0
204.04280	0.7
213.01923	0.3
214.02727	0.9
215.03537	2.2
216.04288	1.4
217.01433	2.9
218.02197	1.7
219.02814	0.4
224.09103	0.1
226.02670	0.5
227.03474	0.6
229.01396	1.2
230.02206	0.5
231.03017	1.5
232.03793	2.7
241.01527	0.2
242.02211	1.4
243.02982	2.2
244.03738	1.9
245.00891	0.5
245.04161	0.2
246.01761	1.0
253.01392	0.4
254.02206	0.2
255.03046	0.8
257.00876	0.3
259.02563	1.3
260.03171	0.6
269.00958	0.2
270.01685	1.3
271.02600	0.9
272.03250	0.6
281.00903	0.8
287.02026	1.1
288.02747	0.4
298.01166	0.5
299.02014	2.4
300.02609	0.2
315.01633	0.7
316.02255	100.0
317.02606	7.9
330.20889	0.2
331.04623	54.7
332.00882	0.3
332.04956	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	331.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50239	2.0
58.88198	1.9
59.01393	6.3
65.00333	6.7
68.99832	4.9
71.01389	4.5
71.44044	2.3
85.02942	3.4
97.02966	2.1
99.00928	2.5
101.02480	4.5
117.03519	3.3
118.00505	1.9
123.00895	3.5
125.02480	2.3
129.37273	2.0
131.05032	4.1
133.02974	9.7
134.03712	2.0
135.04536	100.0
136.04868	3.2
136.98859	3.8
138.01984	2.6
143.05110	2.6
146.71950	2.3
152.51634	2.1
153.01955	2.4
155.57776	2.2
157.02866	2.5
159.04504	16.2
161.02470	5.5
169.01443	3.3
171.04477	6.1
172.88417	2.1
173.02454	2.9
175.04021	6.2
177.36749	2.4
185.02530	10.6
187.04034	9.4
194.99341	10.4
199.04108	3.0
203.03510	57.8
204.03847	2.4
215.03546	12.7
227.03563	9.8
258.46802	2.7
259.02563	3.4
270.05469	2.3
285.07733	5.0
287.01624	2.2
299.02017	76.5
300.02344	6.4
300.05640	2.7
300.10040	4.5
312.99915	3.6
316.02371	5.0
331.00986	4.4
331.04584	11.8
331.08231	3.4
331.12012	5.1
331.15512	2.5
331.21317	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	331.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
65.00328	62.2
66.00645	0.8
67.01891	0.8
68.99826	3.8
69.20960	3.1
71.01383	1.2
71.05016	0.7
72.99316	0.6
80.96532	1.8
81.92190	0.6
85.02949	1.0
87.00886	1.5
89.02457	1.1
89.88567	0.5
93.03455	1.0
95.01396	1.1
97.02955	11.0
99.00892	6.3
107.05024	0.6
108.99311	2.0
109.02921	0.7
112.04947	0.7
117.03477	1.9
119.05002	1.2
120.99720	1.4
123.00896	2.0
123.04563	0.8
127.04047	1.8
128.07190	0.8
131.05042	0.7
133.02979	1.8
133.49675	0.7
134.03793	3.0
135.04539	15.4
136.04881	0.8
136.98814	100.0
137.99149	2.7
141.01959	0.9
145.09755	0.6
147.04504	0.7
149.02440	0.6
151.00401	1.5
153.02013	0.7
158.03787	4.2
159.04538	10.9
160.04909	1.0
161.02449	14.1
165.02058	0.7
169.01436	22.9
170.01758	0.8
174.07701	1.0
179.29465	0.6
182.03745	0.7
183.04530	2.8
193.01434	1.8
203.03600	1.3
216.54573	0.7
227.03481	3.4
243.06779	0.7
299.01987	38.4
300.02298	3.2
331.04514	6.7
331.10263	1.0
331.13806	1.0
332.04681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0462
Annotation	3',4',5'-Trihydroxywogonin
Peak:m/z	Relative Intensity
59.01382	3.2
63.27888	1.1
65.00330	53.2
68.99802	2.6
69.86910	3.8
75.08720	1.2
77.31387	1.5
88.77077	1.3
97.02951	12.9
98.21896	1.5
99.00900	6.2
101.69022	1.1
106.10113	1.4
108.99341	2.1
117.03453	1.2
123.00911	1.3
130.04193	1.1
131.08237	2.0
134.03745	2.1
135.04539	9.9
136.98819	100.0
137.99162	2.4
141.01978	1.2
153.02013	1.5
158.03755	1.7
159.04512	7.9
161.02428	11.9
169.01445	20.7
177.58665	1.2
183.04500	2.2
203.03413	2.9
227.03407	2.1
254.04581	3.0
264.53992	1.3
266.50937	1.2
271.07199	4.2
299.01984	28.1
300.02255	3.0
331.00699	2.3
331.04602	39.1
332.04907	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	331.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24965	0.1
56.08060	0.1
59.77842	0.1
62.16692	0.1
64.51062	0.1
65.00331	9.9
65.00645	0.6
66.00627	0.3
69.33960	0.3
69.34365	0.4
74.48176	0.2
77.02055	0.1
82.00586	0.3
88.47760	0.1
92.38541	0.1
95.01356	0.3
96.99281	0.3
98.22701	0.1
108.02139	0.4
108.99268	0.5
110.00107	2.5
111.00893	0.8
117.03459	0.2
119.04970	0.2
120.02152	0.2
121.02890	0.2
122.00089	0.2
123.00840	0.6
124.01675	0.2
124.98782	0.3
133.02937	0.2
134.03703	0.2
135.04518	0.2
136.98822	11.2
137.02403	0.2
137.99426	0.6
139.00400	1.2
140.01129	0.3
145.02959	0.3
146.03696	0.4
148.01625	0.3
149.01285	0.2
149.02443	3.3
149.99580	1.1
150.03239	7.7
151.00288	0.4
151.03802	0.3
152.01106	0.2
152.16769	0.1
158.03726	0.1
159.04443	0.4
160.05234	0.5
161.02486	1.0
162.03157	0.5
162.85739	0.1
163.00366	0.3
164.01135	0.5
164.04805	0.3
164.98297	1.0
165.99084	2.9
166.99913	0.8
168.00626	0.1
171.04539	0.3
173.02402	0.5
174.03227	1.0
175.03899	0.4
176.01100	0.6
176.04848	0.6
176.06075	0.1
177.01984	0.2
177.99084	0.1
178.99821	0.2
181.98537	0.2
182.03554	0.2
185.02458	0.2
186.03198	0.2
187.03972	1.0
188.04816	1.1
189.01996	1.0
190.02731	1.6
190.99763	0.2
191.03377	0.4
198.03183	0.5
199.03949	0.5
200.01228	0.2
201.01941	1.0
202.02634	0.5
203.03496	0.9
204.04289	0.8
213.01947	0.4
214.02713	1.3
215.03517	2.0
216.00757	0.2
216.04259	1.1
217.01442	2.5
218.02196	1.8
219.02908	0.4
226.02682	0.4
227.03517	0.7
228.04143	0.3
229.01401	1.5
230.02170	0.5
231.02998	1.7
232.03769	2.6
241.01518	0.3
242.02220	1.3
243.02983	2.5
244.03784	1.7
245.00908	0.5
246.01767	1.0
253.01518	0.2
255.03055	0.5
257.00919	0.3
259.02469	1.2
260.03351	0.6
269.00937	0.2
270.01727	1.4
271.02423	0.8
272.03122	0.3
281.01123	0.7
287.02036	1.0
288.02713	0.5
298.01151	0.4
299.02002	2.2
300.02164	0.2
315.01602	0.8
316.02252	100.0
317.02585	8.6
331.04620	57.1
332.04971	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	331.0464
Annotation	Laurencenone A
Peak:m/z	Relative Intensity
51.33601	0.5
63.02403	1.2
63.79223	0.5
65.00333	2.1
67.44434	0.5
69.16095	0.9
69.16497	2.7
80.05080	1.2
83.01428	0.6
94.00467	0.6
99.41701	0.5
100.30233	0.5
102.78133	0.5
102.78827	0.5
107.01386	1.0
109.02943	0.9
116.20071	0.5
121.05354	0.5
125.02445	1.1
133.02927	1.6
135.00845	0.9
135.04608	0.7
136.07716	2.5
145.03011	0.5
146.03761	0.7
149.02428	0.5
151.00362	2.0
151.04066	0.9
153.01944	1.5
155.05110	0.5
158.03729	0.5
159.04553	1.0
161.02458	1.1
161.10054	0.9
165.01923	0.9
174.03201	2.5
175.04010	0.5
176.01208	0.9
177.01944	2.0
178.99837	0.6
183.04549	1.2
187.04053	0.8
187.50313	0.5
199.04057	1.1
201.01964	32.0
202.02684	6.0
203.03433	0.7
205.01503	0.8
211.04112	0.5
214.02705	0.9
221.00949	1.7
227.03520	3.5
228.04167	0.8
229.01436	13.8
229.03554	1.0
230.02214	15.3
231.02571	1.2
243.02986	1.6
245.04536	0.7
249.03976	1.1
255.03008	2.2
258.01712	14.6
259.02063	1.6
271.02527	2.1
272.03326	2.5
287.05655	1.9
287.10422	1.8
290.46902	0.5
298.01193	0.9
299.01990	3.5
303.05209	1.4
313.03711	1.1
316.02298	1.2
331.04630	100.0
332.05008	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	331.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87528	2.0
59.01383	22.9
59.77096	2.8
61.98834	6.3
70.03000	4.8
70.81533	2.8
70.81863	2.7
71.01405	6.8
71.02534	2.2
72.99329	3.9
73.04079	3.7
73.65702	2.4
74.02482	11.8
78.95912	35.2
83.06142	3.0
85.04105	2.7
87.00860	11.5
87.05649	4.7
94.03010	7.0
96.00938	4.9
96.04571	6.5
96.95995	4.9
96.96985	7.4
101.02454	2.6
110.02493	6.2
110.03596	3.2
110.94726	2.0
111.02012	3.7
113.03631	5.3
114.01986	3.8
118.05116	3.5
122.02502	3.6
122.06121	8.5
123.06477	5.7
123.98315	9.9
125.02471	7.0
129.10350	4.6
131.04686	4.3
131.08282	57.0
131.43834	2.2
136.07674	4.4
137.08063	4.1
141.98219	2.5
145.09824	3.4
150.05620	22.9
151.05980	19.0
153.01927	5.0
154.05133	3.1
155.11890	2.9
156.91322	23.5
156.99292	4.3
158.09369	9.3
159.01497	4.9
166.03009	6.3
169.01462	7.0
169.98935	4.5
173.10464	9.9
186.12466	11.7
187.98770	4.2
198.04089	4.7
208.04047	6.3
210.02095	3.3
212.03580	13.2
216.13585	3.1
224.03503	5.8
244.09409	5.6
254.04608	100.0
255.04877	4.2
271.07272	87.0
272.07608	5.9
288.12164	3.7
301.15326	6.8
313.11319	21.3
313.97217	3.3
330.20697	5.6
331.12280	12.9
331.16461	16.8
331.21024	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0825
Annotation	3,5,7-Trihydroxy-6,4'-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.00293	1.4
65.00325	8.5
65.21432	1.3
66.01129	1.4
68.99813	1.9
69.18934	7.9
82.00607	13.7
90.72318	1.5
95.01391	3.0
100.85816	1.5
110.00105	81.3
111.00895	1.8
113.54507	1.3
123.00893	4.3
123.04506	3.5
124.01688	8.9
134.03764	15.5
135.04549	12.1
136.98822	4.8
137.99602	27.5
139.00381	15.3
140.01115	1.9
144.24353	1.4
149.06088	11.3
151.00349	1.4
152.01152	5.4
163.46552	1.5
164.98352	3.3
165.99091	81.5
166.99875	24.4
178.99821	3.6
180.00662	15.7
180.02133	2.1
181.01436	17.5
192.00751	2.8
207.02966	2.4
260.06931	3.5
262.97867	1.4
270.83337	1.5
288.06378	2.6
294.26398	1.3
301.03162	3.0
302.03735	1.5
315.05310	1.6
316.05896	100.0
317.06042	6.8
331.08243	98.6
332.08615	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	331.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.7
61.98830	2.9
66.03472	1.1
68.16924	1.0
69.03467	1.1
71.01386	2.0
72.99321	1.5
73.02954	2.0
74.02489	2.5
78.95909	16.7
81.03477	2.2
83.06147	1.9
85.02963	1.1
86.00116	1.6
87.00883	3.7
87.05657	1.1
94.03000	3.0
96.00920	2.5
96.04568	1.6
96.96010	2.2
96.96922	2.3
97.02953	1.7
106.76600	1.1
108.02158	1.9
110.02492	1.5
110.03619	2.6
112.04088	1.2
113.02473	1.1
113.03607	1.3
114.01984	3.2
117.01997	1.1
117.13615	1.3
122.06147	3.9
123.00962	1.2
123.06500	2.8
123.98318	5.7
124.01677	6.9
125.02460	74.9
126.02785	2.7
128.03555	2.8
129.10376	2.2
131.04657	2.5
131.08276	41.8
132.08624	1.2
137.08055	1.9
141.98196	2.4
150.05655	11.3
151.05969	10.3
152.01057	1.4
153.01918	4.7
153.07588	1.8
156.91318	10.8
156.99348	2.9
159.01514	1.6
164.01424	2.0
166.03017	7.6
167.03435	2.4
168.00638	10.8
168.04172	2.6
169.01442	100.0
169.98831	3.9
170.01787	2.2
172.90559	1.2
173.10498	5.6
177.07498	1.2
186.12500	5.7
187.12950	1.2
187.98921	1.8
198.04117	2.3
208.04070	4.0
210.01945	1.9
212.03554	12.0
214.88420	1.2
216.01996	2.0
216.13628	2.3
222.01886	1.2
224.03555	5.0
226.05183	1.6
247.98076	1.5
254.04622	78.6
255.04855	2.5
258.01331	1.9
271.07272	63.7
272.07565	2.1
275.03976	2.1
287.13629	1.6
301.15176	2.5
313.11267	9.3
313.98026	1.4
331.06714	57.0
331.12357	3.0
331.16336	5.7
332.07062	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01377	5.7
60.66439	0.3
65.00322	2.0
69.21989	2.0
71.01388	6.0
71.05036	0.5
71.89568	0.4
73.02949	2.2
80.96544	0.4
83.01383	1.0
85.02956	1.8
87.00893	0.6
89.02444	4.2
91.01896	7.3
95.01403	0.5
95.37803	0.4
96.95388	0.8
96.96014	13.1
97.02928	0.6
99.00902	1.2
101.02456	8.8
102.25789	0.4
106.07900	0.4
107.01379	0.4
108.02177	5.3
109.03015	0.4
111.00900	0.6
113.02444	0.5
115.04025	0.4
116.05006	0.4
119.03512	0.9
119.04999	0.7
123.04536	26.9
124.01663	0.7
124.04865	1.3
125.02471	0.5
135.04501	0.7
136.98831	0.9
152.01143	3.3
159.04524	0.5
161.02429	1.1
163.06133	1.4
167.03505	100.0
168.03825	3.9
169.01369	0.4
169.05075	0.5
171.04396	0.5
181.07188	7.3
183.72337	0.4
187.04080	0.4
199.04034	0.6
199.07841	0.4
201.90573	0.3
215.03430	0.6
220.02614	0.4
227.03358	0.4
254.04460	0.4
270.05435	0.5
299.01965	0.6
300.09866	0.7
301.07211	0.8
331.04794	3.2
331.10251	1.5
331.16083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1038
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03434	0.5
59.19434	0.4
60.46647	0.3
62.65192	0.5
63.11896	0.4
66.98360	0.4
70.92767	0.5
71.01386	1.1
73.02956	0.4
73.04077	0.5
78.95923	0.5
81.52715	0.4
82.00593	2.1
83.01424	0.4
85.02970	2.7
87.69936	0.4
90.11790	0.4
101.02496	0.7
110.00099	7.6
113.02473	2.3
124.01687	0.7
125.02456	5.2
137.02393	0.5
137.99597	8.4
138.03181	0.6
139.00389	2.3
140.01134	1.0
152.01184	3.4
153.01952	100.0
154.02498	4.1
155.03500	2.0
161.04594	0.6
166.02742	0.8
167.03505	10.5
168.04297	49.6
169.05067	7.9
179.03557	1.0
181.01472	0.7
191.03508	0.9
194.02364	0.5
196.03720	0.4
203.50914	0.5
209.04495	0.8
211.06181	0.6
299.07614	0.6
331.10324	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	331.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08512	0.9
56.73673	0.9
58.99587	2.5
59.01384	1.1
60.35400	1.2
61.81218	1.0
62.94992	1.0
71.42126	1.1
87.00880	23.9
92.98413	1.0
93.03460	1.4
93.95077	0.9
99.00913	1.1
102.98603	7.8
115.42586	1.1
115.92083	1.1
116.79283	0.9
116.92875	2.9
117.03501	1.1
119.05055	1.6
120.99674	57.8
127.62009	1.1
147.11798	7.9
165.12839	2.8
171.10168	1.1
181.98643	1.3
209.11853	24.2
210.12234	1.8
215.03409	1.3
243.02925	1.2
243.10620	36.3
244.10939	1.5
307.69778	1.1
312.99814	1.2
316.02118	2.7
316.05530	1.3
317.02698	1.1
331.12231	100.0
332.12546	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	331.1403
Annotation	Gluroside
Peak:m/z	Relative Intensity
55.01881	2.5
57.03444	2.3
58.00603	1.4
59.01387	100.0
60.01716	1.9
65.00336	1.3
68.99859	1.0
69.08238	2.5
69.08636	7.7
71.01389	50.1
72.99306	2.1
73.02957	5.1
83.01398	4.6
83.73466	1.1
85.02968	12.8
87.00896	1.7
89.02454	49.2
92.99862	2.7
93.14110	1.1
95.01400	4.1
99.00911	1.5
101.02459	33.8
107.08695	4.9
113.02464	21.1
117.03539	1.2
119.03521	19.5
119.04988	1.7
128.45274	1.0
135.04555	3.2
136.05106	1.2
136.98830	1.1
143.03508	1.5
151.07634	5.0
157.02928	1.1
161.04582	3.3
163.21715	1.1
167.03523	1.0
179.05698	2.2
187.52768	1.1
202.02243	1.0
229.01491	1.5
232.61597	1.3
243.06845	1.9
250.03777	1.8
265.30106	1.1
331.04520	3.2
331.14020	53.4
332.14374	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	331.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03444	2.3
58.00603	1.4
59.01387	100.0
60.01716	1.9
65.00336	1.3
68.99859	1.0
69.08238	2.5
69.08636	7.7
71.01389	50.1
72.99306	2.1
73.02957	5.1
83.01398	4.6
83.73466	1.1
85.02968	12.8
87.00896	1.7
89.02454	49.2
92.99862	2.7
93.14110	1.1
95.01400	4.1
99.00911	1.5
101.02459	33.8
107.08695	4.9
113.02464	21.1
117.03539	1.2
119.03521	19.5
119.04988	1.7
128.45274	1.0
135.04555	3.2
136.05106	1.2
136.98830	1.1
143.03508	1.5
151.07634	5.0
157.02928	1.1
161.04582	3.3
163.21715	1.1
167.03523	1.0
179.05698	2.2
187.52768	1.1
202.02243	1.0
229.01491	1.5
232.61597	1.3
243.06845	1.9
250.03777	1.8
265.30106	1.1
331.04520	3.2
331.14020	53.4
332.14374	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	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
55.16769	0.3
57.03467	0.5
59.01385	100.0
60.01728	1.3
63.98462	0.3
71.01391	6.8
73.02949	2.6
79.71542	0.3
83.01385	1.5
85.02962	3.1
87.00910	0.3
89.02468	0.5
95.01421	0.5
99.00896	1.0
101.02443	4.6
109.02965	0.4
113.02493	2.2
119.05042	0.6
123.81524	0.3
126.05634	1.5
127.11308	0.5
133.03006	0.5
143.03609	0.4
153.02016	0.4
158.13467	0.3
158.87943	0.3
159.03108	0.5
161.04568	2.4
161.10077	3.9
289.16690	2.0
320.13959	0.3
331.04675	1.0
331.08438	0.4
331.12222	0.4
331.19266	0.9
332.15485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17527	0.7
71.01391	14.5
80.01919	0.7
85.02977	1.0
125.09768	1.3
125.99364	2.6
141.09251	5.5
153.09213	0.7
165.01706	8.1
165.05403	1.0
165.09003	1.4
181.08463	4.6
181.62914	0.7
183.10066	5.7
191.06921	1.5
193.08488	15.8
194.05641	0.8
207.10020	0.9
209.07997	4.0
221.07994	1.4
222.08763	100.0
223.09514	47.7
224.09929	1.4
227.09079	1.4
236.10368	1.3
237.11282	1.0
239.22180	0.6
254.07770	3.3
262.11850	1.0
301.17935	1.4
303.19507	2.4
313.12369	0.7
313.17877	3.2
313.54526	0.7
331.14169	2.3
331.18918	27.8
332.19226	2.2
336.99548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
58.02973	3.5
59.01384	3.8
61.82466	1.3
65.00322	4.8
67.01900	2.0
67.04769	1.4
69.21569	3.3
69.21981	5.6
71.01379	1.8
72.04552	9.4
79.95726	1.6
81.03464	36.6
82.02990	56.7
83.01400	1.7
93.03426	1.6
95.05029	2.0
96.04533	1.7
96.96021	1.7
98.02502	8.7
98.06096	9.3
100.04054	49.1
101.02460	1.9
102.62931	1.2
109.02959	1.4
111.00868	2.2
112.25233	1.7
112.98817	1.6
116.03544	4.4
119.05060	2.7
121.05832	1.4
121.06590	8.5
122.06116	4.7
123.09303	5.2
124.04060	13.6
130.04228	2.2
133.02982	1.6
135.04559	3.9
136.98755	3.3
141.10344	20.2
143.05058	3.6
145.06610	50.5
146.06076	2.9
146.07080	1.8
149.02422	1.7
151.04089	1.8
157.04082	2.4
161.02438	2.2
164.07195	4.0
171.04543	3.4
172.05267	3.5
175.04008	4.2
179.03575	1.4
183.11414	20.9
185.09633	2.8
187.04008	4.5
187.07684	11.5
188.07239	3.0
201.12773	1.6
202.27003	1.6
209.09685	1.7
211.07672	2.8
215.07164	1.7
216.03883	2.6
217.05113	4.8
225.09152	1.5
228.10356	2.3
229.05107	2.1
253.05132	6.3
257.04648	4.1
259.22116	1.5
270.11371	100.0
271.11749	8.4
289.10156	3.6
315.05038	4.0
332.07556	2.6
333.05807	2.5
333.09598	2.6
333.13748	2.0
333.17389	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	332.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
59.01397	5.6
59.01669	1.1
65.00340	1.3
69.58684	1.2
71.01375	1.4
71.05024	3.5
73.27892	1.2
74.99780	1.0
78.91896	5.8
83.01392	1.6
86.39524	1.1
96.04545	6.1
98.02493	1.3
98.06136	2.8
108.46613	1.0
109.02988	1.5
113.09749	2.3
117.03439	1.3
123.14179	1.3
126.05630	46.3
151.00677	1.2
156.81293	1.0
159.08507	3.1
161.10074	100.0
162.10371	4.5
170.04630	6.1
230.93384	1.7
317.02542	1.4
332.11768	2.1
332.15475	18.1
332.19254	1.6
333.17325	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	332.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01384	1.6
69.20064	1.1
69.20464	1.8
70.03027	0.5
71.05025	2.9
83.01398	1.4
96.04572	5.5
97.61581	0.6
98.02518	1.3
98.06135	2.6
104.59317	0.7
109.02938	0.7
113.09727	2.7
126.05629	46.1
127.05995	0.8
135.04564	0.9
159.08507	2.2
161.10080	100.0
162.10416	4.4
170.04602	4.8
239.49567	0.5
272.17303	0.6
278.74820	0.6
317.02820	0.6
332.15421	17.9
332.19180	0.7
333.16013	0.9
333.20993	0.6
339.82352	0.6
353.76813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94128	11.5
59.53430	9.6
60.28491	9.8
64.12312	11.5
69.77300	12.6
69.77643	40.9
95.79733	10.7
109.21342	10.9
112.82003	10.8
117.03490	36.1
197.06145	22.5
213.05647	29.9
225.05540	39.5
241.05035	73.3
247.78880	11.5
269.04633	51.3
289.99005	12.9
333.01614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66834	0.2
63.02398	2.4
65.00330	1.1
69.80343	0.4
69.80731	0.5
107.01379	1.5
119.05067	0.4
121.15908	0.2
143.05049	2.1
145.02942	0.9
151.00296	0.4
165.07054	0.5
167.05019	0.5
180.05797	0.4
181.06624	1.1
185.06015	0.5
187.04111	0.3
209.06123	2.4
211.04092	0.6
253.05074	100.0
254.05406	7.7
333.00751	6.5
333.08813	0.4
334.01074	0.6
352.19543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	2.4
65.00321	0.9
66.76508	0.2
67.61339	0.2
69.15659	0.2
69.81143	0.3
69.81474	0.4
71.46058	0.2
88.13557	0.2
98.22671	0.3
107.01397	1.3
119.05000	0.4
143.05043	1.9
145.02968	0.5
151.00346	0.5
165.07080	0.6
167.05110	0.3
180.05779	0.5
181.06584	0.6
183.04446	0.3
185.06049	0.6
208.05157	0.2
209.06090	2.4
211.03908	0.5
253.05075	100.0
254.05429	7.2
282.23575	0.2
302.44989	0.2
314.85718	0.2
333.00772	5.7
334.01031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40066	0.2
63.02387	1.9
65.00314	0.9
69.29526	0.2
70.15701	0.5
88.33379	0.2
103.78561	0.2
107.01395	1.5
119.05006	0.4
125.37746	0.2
130.94141	0.2
143.05022	1.9
145.02946	0.8
151.00351	0.7
165.07056	0.6
167.05063	0.5
167.54604	0.2
180.05843	0.4
181.06590	0.9
185.06027	0.6
209.06082	2.0
211.04050	0.8
253.05075	100.0
254.05409	7.8
333.00769	8.2
333.04739	0.4
333.08411	0.3
334.01160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.2
65.00338	10.8
71.01368	3.1
71.41425	2.0
81.92050	2.2
83.01392	100.0
93.03481	3.4
97.02951	2.6
99.00910	7.7
105.03450	4.3
107.01405	34.9
109.02981	4.7
111.00847	2.3
117.03486	12.8
121.02979	6.3
127.00385	3.6
132.02199	4.0
133.02023	4.3
133.02971	40.6
135.04527	64.1
136.04865	2.8
136.98830	3.8
137.02460	3.8
139.03992	17.7
143.04982	2.2
153.01978	3.8
159.04567	2.6
169.01471	9.5
175.04118	2.9
177.01958	11.9
178.99864	19.2
183.03004	3.0
183.04477	3.7
185.25815	2.3
187.04033	12.2
192.62886	2.4
205.95361	2.2
211.02496	86.7
212.02785	4.4
225.05608	5.7
253.05057	3.1
255.03012	7.6
258.01642	2.8
261.04108	5.4
269.04453	9.0
297.04123	6.8
301.03653	14.5
315.05228	7.0
333.02399	4.4
333.06131	19.6
333.19647	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	333.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	100.0
66.00674	1.8
68.99813	2.5
75.00874	1.5
83.01395	4.6
85.94195	1.2
97.02966	4.1
98.22699	3.4
99.00905	1.6
100.09110	1.2
101.02458	2.6
103.00388	3.7
107.01411	3.4
107.75836	1.0
108.99310	3.3
111.00886	3.7
114.69971	1.0
117.03459	2.7
119.05038	32.2
121.02148	2.3
121.02966	23.1
122.03339	1.4
125.02459	22.1
127.00404	1.8
133.02986	4.7
133.81598	1.3
136.98814	94.4
137.99139	2.3
141.01959	5.3
143.03384	1.2
143.05043	9.7
145.02937	6.7
151.00345	1.7
151.03999	3.1
159.04503	1.7
161.06096	7.5
167.03462	1.9
169.01454	13.4
175.04019	5.4
187.04012	10.6
201.05498	1.4
215.03500	8.4
217.05051	7.7
229.05115	12.0
257.04559	75.5
258.04865	5.4
261.04080	2.4
261.07770	3.0
289.07138	5.8
315.05014	2.9
333.06186	31.1
334.06381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59951	0.5
57.09095	0.5
59.01381	0.5
65.00306	0.6
71.01373	0.8
78.03474	1.0
92.05068	1.9
93.03477	0.9
94.06627	4.2
98.21799	1.2
104.05088	3.5
105.03471	2.3
105.08325	0.5
106.06641	12.5
107.03783	1.7
108.04565	1.9
109.02972	0.8
110.00046	0.7
113.54848	0.5
117.03464	2.7
119.05033	1.4
120.04565	6.2
121.05328	1.9
122.02528	0.7
122.05228	0.8
122.06141	16.6
123.03264	2.5
123.06453	1.0
124.07717	0.9
127.64899	0.6
132.04587	6.7
135.04543	2.9
138.05626	22.8
139.00471	0.7
139.05984	0.9
141.17958	0.6
147.04605	0.6
148.04091	0.8
150.05615	2.3
165.99072	1.1
166.05045	0.8
189.08005	1.3
193.98575	0.7
202.08852	0.7
203.09552	0.7
215.11938	1.6
217.05246	0.7
217.07420	1.5
225.05594	1.0
227.11954	0.6
229.09813	1.1
231.11401	0.8
241.05060	2.8
241.09819	3.1
243.11446	2.0
253.05081	0.8
253.82526	0.6
259.10818	1.0
261.03979	0.9
264.10617	0.6
269.04559	2.2
271.10715	0.8
289.11978	100.0
290.12296	8.3
297.03983	0.9
315.01620	1.6
333.01968	3.0
333.06897	0.8
333.10767	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78750	0.5
58.02983	5.3
59.01385	14.3
61.98821	0.4
65.00330	0.8
66.03496	0.8
67.01897	1.1
69.61753	1.5
69.62105	0.8
71.01398	3.7
73.02948	0.7
74.02473	1.0
78.95924	0.7
80.29449	0.4
82.02988	5.9
83.01404	1.1
84.04546	1.1
85.02958	1.5
89.02460	0.6
95.41234	0.5
98.02515	0.4
98.06098	0.6
99.05650	0.9
100.04083	1.0
101.02467	0.9
107.01364	0.7
108.04627	0.5
109.02937	0.8
110.02473	2.8
112.04013	0.6
113.02451	1.1
114.01986	0.5
117.03488	4.7
119.05057	0.5
122.02474	1.7
122.06026	0.7
125.00115	1.9
128.03554	100.0
129.03905	2.9
129.10371	1.2
135.00876	0.7
135.04546	1.5
137.07220	0.5
139.05151	0.8
141.06769	0.8
142.05124	3.3
143.54158	0.5
147.04530	0.5
148.04408	0.9
149.02458	1.4
149.07237	1.6
150.05615	5.7
159.04497	0.6
160.06163	1.8
160.07564	0.6
164.07222	0.9
165.06720	0.7
167.08333	0.7
170.02872	0.6
170.98441	0.5
172.04356	2.6
177.01996	1.4
183.04475	0.9
185.02489	2.0
187.05380	0.8
190.05481	0.6
193.06183	1.4
197.06000	0.5
197.07587	0.6
198.05948	3.2
198.30077	0.4
199.03975	0.5
211.02408	0.5
213.05464	0.5
225.05629	0.8
227.03505	1.3
229.06656	1.0
241.06557	53.2
242.06853	3.5
253.05077	1.0
255.03032	1.9
259.07632	1.7
259.14609	0.5
261.09268	1.2
269.04678	2.6
289.11926	0.9
297.03818	2.3
333.02042	2.5
333.11298	23.6
333.15421	1.3
333.19189	3.3
334.11633	1.6
334.17877	1.3
356.36023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1136
Annotation	Karanjachromene
Peak:m/z	Relative Intensity
56.84576	1.2
65.03969	1.8
68.99822	3.5
83.01402	3.9
95.01435	0.9
105.04596	2.0
115.05503	0.9
115.07715	0.9
115.98499	0.9
116.83403	0.9
117.07133	7.7
133.03076	1.8
133.04102	5.6
141.07118	100.0
142.07472	4.7
143.05040	4.6
145.06612	10.9
157.04091	9.3
161.03589	6.6
171.04489	10.6
172.05157	2.2
175.03961	1.4
183.08162	83.9
184.08484	4.0
185.06007	5.1
187.07567	1.3
201.03072	6.6
214.03824	1.9
217.04999	2.6
229.02560	2.0
247.11340	5.5
253.05147	3.4
271.11105	1.2
289.09402	1.8
289.12375	16.8
290.12491	1.9
305.09299	6.9
333.08356	16.2
333.11353	48.1
334.08475	1.7
334.12372	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1136
Annotation	Karanjachromene
Peak:m/z	Relative Intensity
53.98442	1.0
65.03965	1.7
68.99815	3.2
73.68568	1.2
81.03469	1.1
81.24348	0.8
83.01392	4.0
101.03961	1.4
105.04583	2.2
115.05561	1.3
117.04573	0.9
117.07123	5.5
124.41831	1.0
127.05588	1.0
129.04619	1.7
133.03055	1.7
133.04059	8.9
141.07120	100.0
142.07469	6.9
142.95189	1.0
143.05051	6.0
143.20885	0.9
145.06592	13.4
147.04549	1.2
157.04066	12.0
158.04825	1.8
161.03568	8.4
171.04546	16.1
172.05223	2.3
175.04034	2.0
183.08162	83.6
184.08539	5.0
185.03581	1.7
185.06076	5.9
201.03104	7.0
212.36069	0.9
214.03947	1.6
217.05148	1.8
219.11807	2.2
229.02501	2.4
245.13440	1.3
247.11198	4.8
253.05121	3.2
269.04623	1.4
287.08298	1.6
289.09479	1.3
289.12360	14.3
290.12769	2.6
305.09277	8.4
333.08478	23.9
333.11374	39.9
334.11414	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1194
Annotation	CHEBI:19923
Peak:m/z	Relative Intensity
57.03467	5.9
58.00579	1.0
58.82721	1.0
59.01388	22.7
65.65285	1.3
71.01389	33.7
72.99313	11.5
73.02953	2.1
73.47498	1.0
75.00879	42.2
76.01204	1.0
79.56161	1.1
83.01401	2.2
85.02958	38.1
86.02267	1.0
87.00892	14.3
88.79111	1.1
89.02441	4.3
95.01401	5.1
99.00890	4.5
101.02464	2.3
103.00390	3.3
111.00883	2.7
113.02464	28.7
115.00401	2.5
117.01968	2.0
117.03469	3.7
127.07697	1.6
129.01985	1.6
135.04611	1.1
139.07661	3.0
143.85962	1.2
156.49236	1.2
157.01418	2.8
157.08710	19.0
157.09955	1.5
175.02524	6.0
193.03429	1.8
255.02904	1.5
269.04761	2.2
271.11139	1.5
296.42609	1.1
297.04111	1.5
315.10788	3.2
333.11954	100.0
334.12314	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	333.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01690	0.8
55.01887	9.1
56.27699	1.0
57.03451	5.8
57.82680	0.9
59.01088	2.3
59.01385	48.3
61.98834	7.3
65.00307	0.9
69.03474	1.2
69.91277	3.6
71.01391	49.5
73.02952	28.2
74.12011	0.9
74.59679	0.9
75.00867	1.4
83.01392	13.9
85.02959	31.7
86.00107	4.7
87.00890	2.5
89.02450	4.9
89.15726	0.8
89.90029	0.8
94.52423	1.0
95.01381	4.4
97.02976	1.7
99.00874	9.0
101.02456	63.1
102.02771	1.0
103.31518	0.9
109.02972	4.2
111.00893	1.4
113.02464	24.1
114.24805	1.0
115.18707	1.0
117.03481	0.9
119.03527	1.2
125.02447	2.0
129.02002	1.1
131.03468	1.2
131.28275	1.0
136.98799	1.3
141.01852	1.0
143.03482	1.8
159.03001	4.0
161.04572	12.9
162.74701	0.9
217.05106	2.0
289.11887	2.7
289.16617	11.1
315.01526	2.3
315.14569	1.3
333.15582	100.0
334.16083	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	333.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01908	5.0
58.02688	5.4
58.02982	90.6
59.80811	3.4
68.86031	2.9
69.19588	19.5
70.76634	3.5
91.05548	18.7
98.21778	3.0
102.03450	4.1
116.05075	100.0
117.03519	4.9
118.06635	19.9
119.05062	6.8
123.09292	32.9
124.09685	5.4
126.09279	5.9
129.10365	32.9
137.10919	4.5
139.08778	19.7
140.10857	7.4
149.06102	3.6
154.08757	7.4
171.11409	54.7
172.07733	7.1
174.05598	21.1
198.12863	8.5
210.10107	15.1
215.15588	13.3
231.15164	6.2
242.11897	92.9
243.12155	4.3
253.05122	29.7
257.16611	49.9
258.16940	4.8
259.14575	27.9
269.04568	6.3
291.17099	10.3
301.15594	60.9
302.15927	5.4
333.13919	4.5
333.18188	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	333.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96280	1.2
59.01385	100.0
66.50626	1.3
67.27287	1.3
69.38886	5.0
71.01386	6.0
73.02945	2.3
74.18209	1.3
82.00581	1.5
85.02956	3.2
95.01397	1.4
98.21925	2.9
101.02441	5.0
110.00108	7.0
112.00569	1.9
113.02470	1.9
114.83170	1.4
117.03432	1.6
135.04510	2.2
139.52570	1.3
157.28419	1.5
161.04533	1.6
165.99039	3.6
166.99516	2.6
167.99568	4.1
181.01073	1.5
291.18182	4.9
312.54941	1.4
318.06497	14.9
333.08862	15.1
334.08627	1.3
343.16476	1.4
355.07968	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17204	0.5
71.01018	0.9
71.01387	10.7
71.43713	0.5
76.22814	0.5
85.02985	0.6
93.03452	0.8
93.90176	0.5
121.58382	0.6
125.99355	2.3
152.00851	0.8
165.01703	7.3
193.04852	1.3
193.08463	1.6
194.05579	0.8
210.21042	0.7
221.07935	1.6
222.08737	100.0
223.09090	5.0
236.10190	3.1
238.65482	0.6
254.07687	2.7
263.47952	0.6
286.07288	0.5
304.41589	0.7
315.19687	0.8
333.15387	1.9
333.20486	16.8
334.20825	1.1
355.85748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54319	1.0
52.72342	1.2
58.02984	2.4
59.01387	11.7
61.98825	2.2
69.88367	1.1
71.01373	1.8
74.02495	1.2
78.95901	3.4
80.32154	1.0
81.04575	3.2
82.03010	2.3
84.00925	5.2
85.02936	1.8
89.02464	2.6
96.96105	1.3
97.04106	1.9
98.02481	2.0
99.05642	1.5
101.02442	1.8
102.05666	2.0
110.02501	2.1
111.01994	2.1
113.03583	1.9
118.03338	2.3
125.03580	50.0
125.04508	2.6
127.05154	13.3
128.03554	100.0
129.03940	1.7
138.50938	1.1
145.06178	2.5
146.04581	1.9
146.45847	1.1
152.46706	1.5
153.03131	2.0
155.07162	4.0
157.06204	13.4
159.07770	7.3
160.84232	2.2
162.05626	2.2
162.83897	6.9
173.03934	1.5
184.05003	2.8
188.03513	1.9
192.07742	1.5
192.95821	2.1
193.06194	1.7
206.04562	2.7
210.08865	14.5
218.05740	1.7
236.06857	2.1
242.11440	1.6
268.09415	12.3
286.10449	9.5
334.07013	2.2
334.10779	15.7
335.08783	4.2
335.13474	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	335.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83732	2.5
59.01382	5.4
65.00326	7.0
65.37195	2.5
71.33989	2.3
71.43639	3.4
78.95895	11.9
79.85735	2.4
80.58353	2.5
82.32006	2.4
93.03481	3.6
96.96006	5.9
110.98505	7.9
111.00909	3.2
117.03449	11.8
119.05003	11.3
133.03004	3.7
136.98804	5.9
153.01874	2.8
185.02344	3.3
200.04648	3.2
215.06946	5.6
234.96117	3.0
254.81183	2.9
261.05899	28.2
275.07327	3.5
284.03302	39.1
289.09079	23.9
290.09662	9.3
299.05646	31.8
300.05832	2.9
305.08447	7.0
317.02802	5.2
335.09198	15.4
335.13144	100.0
336.13626	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	335.0514
Annotation	2,2-Bis(4-hydroxyphenyl)hexafluoropropane
Peak:m/z	Relative Intensity
53.58191	0.2
57.27916	0.3
59.01361	0.3
61.98810	0.3
68.99573	13.1
69.28977	1.4
72.13840	0.2
78.36393	0.2
94.33050	0.3
106.90719	0.3
111.02528	2.4
115.13817	0.3
143.91365	0.2
149.03949	0.3
152.75537	0.2
153.32484	0.3
161.02213	1.9
177.03510	1.5
187.05643	0.5
194.29056	0.3
195.04527	1.9
197.04080	2.5
198.04646	0.5
200.57283	0.3
205.02899	0.6
215.05217	1.7
217.04602	0.3
225.03587	3.2
226.04265	0.5
227.03255	0.4
244.03421	2.7
245.04190	4.4
246.04816	0.6
253.17859	0.3
255.02711	0.3
260.88113	0.3
265.04819	100.0
266.05164	7.0
275.03079	0.5
295.03934	0.8
315.04541	1.6
335.05133	39.0
336.05551	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	335.0775
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.01866	2.0
55.95365	1.6
57.03436	2.5
57.48884	1.7
59.01363	2.4
63.02382	1.5
65.00318	6.1
67.01872	2.0
68.99777	2.4
69.03453	5.1
69.76063	1.7
71.01389	22.5
72.99319	2.8
79.63967	1.7
80.88475	1.6
81.03468	14.1
83.01393	15.1
85.02957	5.8
95.95225	4.8
96.02163	2.0
96.96022	4.1
97.02984	9.1
99.00887	50.1
101.02425	3.8
109.02979	17.7
111.00890	13.3
113.02444	3.3
114.03222	9.2
119.05062	3.4
124.01688	10.1
124.34068	1.6
125.02454	72.4
127.00391	19.2
133.06595	2.9
135.00931	2.6
136.98833	4.0
139.00365	6.6
139.03981	2.8
141.01968	2.3
141.07100	2.0
145.06677	2.2
151.00331	2.1
152.01152	4.0
153.01953	84.8
154.02281	2.8
154.99913	3.1
167.03506	9.5
169.01431	6.5
169.06560	3.1
171.04553	4.5
181.01466	3.7
185.04567	5.8
189.05641	3.9
197.06227	1.6
213.05632	2.5
215.07181	1.6
231.06647	2.5
241.05077	19.0
242.05586	1.9
247.13332	3.2
255.06702	2.4
259.06210	10.8
273.07663	2.7
291.08737	5.6
291.11859	3.0
291.15997	2.4
303.05121	4.5
317.06488	3.8
317.09866	1.9
335.07730	100.0
335.11041	5.4
336.08023	8.1
336.12283	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0775
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01388	1.9
63.96793	0.6
70.37163	0.5
70.48524	0.6
70.48848	0.9
71.01385	0.7
73.02956	1.5
81.03442	1.1
83.05023	1.6
89.02412	0.7
93.03455	12.3
95.08076	0.6
99.00913	0.9
107.05062	1.7
107.82420	0.5
111.04517	4.0
117.03500	1.3
131.78780	0.5
133.02962	7.9
134.03784	4.8
135.04535	100.0
136.04846	3.9
137.02480	5.1
155.03490	1.4
159.10356	0.6
161.02457	24.0
162.02814	0.9
173.04572	1.7
179.03510	82.8
180.03886	4.0
181.26288	0.6
335.07739	24.0
336.08017	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	335.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.0
57.03451	5.2
59.01380	33.0
60.26976	3.1
65.00340	19.2
65.02940	3.1
68.99825	8.5
69.03447	3.1
70.78642	5.0
71.01398	13.7
73.02952	13.0
75.00916	4.2
80.96531	3.8
81.03477	5.4
81.32971	3.1
83.01393	39.8
85.02954	4.4
96.99330	3.3
97.02951	5.3
99.00893	27.0
101.02451	7.6
103.00385	9.2
109.02978	9.0
111.00893	100.0
113.02427	6.2
115.04002	4.8
124.98852	4.6
125.02466	47.4
127.00389	32.9
131.05020	8.7
135.00940	6.0
135.04530	10.0
136.98810	23.6
141.01988	7.7
143.03499	17.0
153.01981	30.4
154.99899	18.5
157.01460	27.4
158.01892	3.6
159.04514	4.8
161.02446	11.6
165.05612	9.6
167.03481	5.8
169.01443	97.3
170.01721	6.0
175.04031	7.6
175.11249	3.5
176.13664	3.7
185.04605	6.8
187.02409	4.0
197.01074	3.9
203.03604	3.7
229.03525	9.8
231.06625	7.4
259.06082	4.6
273.04221	5.6
273.07651	4.4
273.88113	3.3
291.05417	3.9
291.08716	6.2
317.06845	3.9
335.04123	5.1
335.07773	16.6
335.11349	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	335.0929
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
53.01553	0.4
59.01384	0.5
70.13921	0.5
70.27481	1.3
74.98706	0.5
79.95744	0.8
79.96212	0.5
81.19180	0.5
85.84203	0.5
89.54554	0.4
91.90941	0.5
93.03490	1.4
96.96004	0.7
100.94281	0.5
103.05578	0.6
117.03477	84.3
118.03827	3.4
119.05065	1.9
133.03008	0.9
135.04530	0.6
145.06607	1.4
149.06125	3.1
158.03734	0.9
159.04515	1.1
159.67216	0.5
172.05356	0.9
173.06097	2.1
174.03290	1.2
176.01131	0.9
183.04504	0.6
185.02489	2.2
187.04128	0.6
187.07707	1.4
189.05606	2.0
197.06111	1.5
199.04083	0.8
209.06120	0.6
215.07172	5.5
217.05057	2.8
224.04846	1.0
225.05699	0.8
227.03371	0.7
233.06183	0.7
235.04243	0.7
247.07648	1.3
248.08243	0.8
249.09210	0.7
250.06363	0.8
251.03490	0.9
252.04445	0.5
263.10800	1.6
265.08691	0.6
266.05768	1.1
273.05743	0.8
273.08923	0.7
275.07062	1.2
276.07864	1.1
280.03769	2.6
288.04361	0.6
289.08676	2.5
291.06677	6.2
291.10211	2.0
292.07391	2.6
293.07922	0.7
303.06952	0.6
305.08249	1.0
307.09778	21.7
308.10071	2.7
317.08115	2.8
335.09299	100.0
336.09616	9.9
351.15585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	1.9
69.63937	2.2
70.75609	0.7
93.03473	1.1
98.22665	1.0
117.03477	92.5
118.03817	2.8
119.05067	2.7
121.06596	1.0
134.00172	0.7
145.02951	2.0
145.06602	1.1
145.66164	0.7
147.04520	1.5
153.01955	1.5
157.02942	1.0
158.03743	2.8
159.04527	4.1
161.02466	0.8
171.04509	3.3
181.01358	0.8
182.03748	1.2
185.02458	17.2
186.03130	2.3
197.06100	6.4
198.06660	0.8
200.04855	1.9
208.05478	0.8
215.07140	41.0
216.07509	3.1
221.05998	1.1
222.06844	3.7
226.02734	1.2
233.06123	1.4
234.06709	1.1
247.07660	0.7
248.08517	0.7
249.05618	2.4
252.04260	1.3
261.05560	1.5
263.10825	1.7
273.09171	1.7
277.05228	1.4
278.05893	1.4
280.03821	1.0
289.04968	1.7
291.10312	2.4
302.05948	0.7
305.04626	2.0
306.05347	3.2
317.08328	6.2
318.08441	0.7
335.09277	100.0
336.09631	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	335.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26299	0.4
65.00329	1.0
67.01892	0.7
69.53376	1.1
69.53767	1.2
93.47883	0.4
103.11230	0.5
117.03478	84.8
118.03794	3.2
119.05019	0.6
121.06628	0.8
125.99614	0.6
129.03406	0.6
133.93819	0.6
143.08688	0.9
145.02956	1.5
145.06607	0.9
147.04520	1.7
148.10909	0.5
156.05838	0.7
157.03133	0.7
158.02652	0.5
158.03711	2.9
159.04572	2.7
161.02464	0.6
171.04584	2.9
182.03708	0.8
185.02451	16.5
186.03171	2.2
187.03819	0.6
191.28479	0.5
193.06555	0.9
197.06087	6.1
200.04840	1.5
215.07141	33.9
216.07480	3.0
221.06090	1.3
222.06834	2.3
226.02838	1.1
233.06113	1.9
234.06862	1.4
240.03955	0.6
248.08597	0.6
249.05612	2.6
252.04381	0.9
261.05566	1.5
263.10687	1.2
267.02945	0.6
273.09244	1.0
275.07120	1.1
277.05109	0.8
278.05862	1.6
289.05136	0.8
291.07129	0.5
291.10367	1.7
305.04596	1.9
306.05341	2.4
317.08145	5.9
318.08356	0.7
320.06769	0.7
323.01468	0.5
335.09280	100.0
336.09610	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	335.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20573	0.5
53.74398	0.6
54.29978	0.5
59.01361	0.6
62.42659	0.5
65.00325	1.2
69.17702	1.4
69.18123	1.8
72.55273	0.5
74.51283	0.5
79.14344	0.5
81.72006	0.5
93.03445	1.0
93.07121	0.6
96.02727	0.6
98.21806	0.9
105.07131	0.9
105.57824	0.5
111.00896	0.5
117.03477	100.0
118.03800	4.2
119.05073	3.0
119.05789	0.5
121.06556	1.3
125.02419	0.5
129.07170	0.6
145.02927	1.5
145.06607	1.2
147.04524	1.6
149.06125	0.8
157.02896	0.8
158.03720	4.6
159.04530	8.9
161.02489	1.3
169.02980	1.5
171.04497	0.9
173.06076	1.9
182.03746	3.1
185.00734	0.3
185.02437	15.4
186.03130	1.3
197.06093	26.4
198.06483	2.3
199.59634	0.6
206.20941	0.6
215.07137	38.7
216.05606	0.8
216.07373	2.9
222.06836	1.0
226.02815	0.6
233.06172	1.1
234.06801	1.1
247.07599	0.9
248.08389	0.9
249.05588	1.9
250.06516	1.0
256.10416	0.5
257.05862	0.6
258.06992	0.5
261.05524	2.0
262.06247	0.9
263.10693	4.3
273.09219	2.2
274.06473	0.7
275.06717	0.8
277.05106	2.8
278.05853	1.8
289.05127	6.0
290.05591	0.8
291.10376	1.9
302.05786	1.8
305.04642	1.7
306.05334	1.6
307.09677	0.7
317.08188	21.0
318.08569	1.9
335.09274	97.8
336.09616	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	335.1863
Annotation	Deisobutyryl bakkenolide H
Peak:m/z	Relative Intensity
57.03423	0.3
59.01388	4.2
59.58843	0.2
59.98508	0.3
67.01893	0.2
69.03446	0.8
69.04895	1.5
71.01377	0.5
71.05025	1.2
73.02947	0.3
83.01396	0.3
83.05034	0.4
85.02972	0.4
87.78042	0.2
93.03448	0.8
94.04243	0.3
96.81277	0.2
96.99336	0.2
97.06586	0.3
98.03719	0.4
99.00866	0.3
99.04540	0.3
101.02428	0.3
109.02941	0.2
109.06595	1.0
111.00861	0.7
114.01949	0.5
117.03479	6.0
117.04797	0.3
118.03795	0.2
119.05009	0.7
120.05807	0.4
121.06602	0.9
123.08199	0.3
125.02489	0.4
133.02974	1.3
135.04546	0.6
135.08191	3.7
137.02412	0.3
137.08733	0.3
137.09737	3.7
139.00333	0.4
149.09726	1.4
153.01991	0.5
161.02397	0.4
161.13585	0.3
166.99893	0.4
171.08173	0.5
173.09729	0.3
173.13293	0.4
175.04007	0.2
175.11290	2.6
182.03754	0.2
185.06038	0.2
189.12866	2.6
191.14458	5.1
192.14677	0.3
194.99515	0.2
213.05664	0.3
215.07159	0.3
217.05162	0.4
225.05565	0.4
229.16023	1.8
231.03000	0.3
231.08130	0.3
231.17563	1.2
241.05070	0.3
245.19145	16.1
246.19545	1.4
246.21832	0.2
247.07719	0.3
247.20625	0.2
263.10794	0.2
265.08746	0.6
269.04657	0.7
273.18613	3.5
274.19000	0.3
275.07312	0.7
289.18124	2.8
291.10629	4.9
291.19693	100.0
292.10825	0.3
292.20038	8.6
293.14059	0.6
317.03183	0.3
317.17642	0.3
335.10245	1.4
335.18674	54.3
336.19028	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2232
Annotation	ent-3beta,7beta-Dihydroxy-8(17),13-labdadiene-15-oic acid
Peak:m/z	Relative Intensity
56.20843	1.0
57.03441	1.9
59.01371	1.9
60.99299	2.8
66.08698	0.8
69.03466	7.2
71.05010	2.9
77.69493	0.8
83.05031	4.9
85.06633	1.2
97.06607	2.4
117.03486	1.4
121.10252	10.6
135.04568	1.3
137.09688	1.8
147.11777	2.8
149.09753	1.5
151.11317	4.0
163.11247	1.1
165.12854	4.2
177.12834	1.2
187.15033	2.3
189.12878	3.0
201.16527	1.6
202.12645	0.9
203.14476	1.5
203.18019	1.1
205.15990	6.5
217.15848	1.3
271.20703	3.9
272.21832	1.1
273.22269	100.0
273.56107	1.1
274.22620	8.4
275.20166	2.9
289.21732	1.4
291.19815	2.4
291.23334	12.7
307.09814	1.1
317.21243	19.1
318.21518	1.0
320.00806	1.5
335.09106	2.9
335.13174	1.8
335.18909	2.2
335.22314	48.8
336.22702	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	336.0881
Annotation	Subsessiline
Peak:m/z	Relative Intensity
65.00336	4.2
66.03490	2.4
70.56458	1.7
70.56786	1.7
91.01891	1.1
92.02690	5.2
93.03465	18.0
94.02993	9.9
95.01405	1.9
102.03491	2.4
104.05067	13.7
106.03010	5.2
108.02184	21.0
109.03055	1.5
112.04570	1.1
117.03505	1.3
119.05037	62.9
120.02172	4.4
120.05380	3.9
128.05069	11.1
129.91998	1.2
130.03006	23.7
130.04243	3.6
131.03352	2.0
133.06575	2.6
143.05028	2.9
143.71870	1.6
144.04572	5.7
145.03000	3.1
148.04056	11.4
148.98840	1.5
156.05797	2.5
171.04533	2.0
172.04054	12.7
172.05315	2.1
183.04494	11.2
185.06047	1.6
187.04044	4.6
190.05125	1.9
199.04144	3.2
200.04813	64.0
201.05202	4.2
216.03027	70.4
217.03349	4.4
230.04578	3.5
234.04169	1.4
241.08716	6.0
242.04610	14.7
279.76904	1.2
294.07721	1.6
336.08762	100.0
336.12491	65.9
337.09082	9.4
337.12656	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	336.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36932	0.5
58.96876	0.6
59.01384	15.9
61.98832	1.2
62.03313	0.6
71.01388	3.8
71.34830	0.8
73.02968	1.4
76.19079	0.6
85.02957	1.7
92.05076	6.6
101.02446	2.0
109.01821	0.6
113.02483	1.8
116.05077	1.1
118.03010	1.2
120.04591	1.4
125.02518	0.7
131.03787	100.0
132.04581	94.7
133.04950	3.9
144.04575	7.2
146.06120	2.4
157.05360	1.0
158.06139	5.7
161.04588	2.8
161.05864	0.5
172.04076	0.9
174.05615	12.2
186.05617	4.2
214.22200	0.6
245.95573	0.6
276.08737	1.7
336.10687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1242
Annotation	Sinomendine
Peak:m/z	Relative Intensity
76.11314	0.5
81.41103	0.4
92.02697	1.3
94.02991	11.5
102.10971	0.4
108.02180	95.4
109.02496	2.6
117.03465	1.8
119.05051	1.4
121.02965	0.8
130.04250	1.4
143.05035	8.7
144.05783	1.8
156.05750	0.8
162.03191	0.7
171.04529	29.7
172.05316	10.7
173.05621	0.5
199.04010	13.1
199.20468	0.4
200.04796	72.4
201.05112	3.9
241.08754	3.0
336.12448	100.0
337.12845	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	336.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90672	0.6
66.95702	0.6
71.42114	0.7
71.68672	0.6
89.00365	1.0
108.02180	75.3
109.01707	52.2
109.02456	2.0
110.02032	1.3
118.69955	0.6
143.04964	0.7
157.06606	2.5
176.98187	0.8
179.55063	0.6
185.06088	100.0
186.06419	6.3
209.58586	0.6
281.04547	1.8
336.05182	0.8
336.08850	2.0
336.12759	0.9
337.03418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82247	18.0
55.59723	19.5
59.01386	84.9
61.98820	19.6
69.76010	72.8
78.95921	57.0
126.31189	19.4
131.08272	42.9
136.94020	34.7
156.88857	21.3
178.95074	40.2
194.95607	35.1
196.05788	23.9
208.93979	48.9
238.06903	46.0
250.94885	66.9
252.92747	28.1
255.09483	44.1
267.67725	21.0
294.94119	100.0
297.75760	21.2
324.99237	23.3
336.94489	75.6
337.07813	47.6
341.39124	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1086
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
58.02985	6.8
59.01383	3.9
63.13488	1.5
66.38085	1.6
71.39949	2.6
72.00924	5.5
73.04099	2.4
78.95928	1.9
86.43755	1.6
91.05568	6.3
96.00935	2.6
96.96037	1.9
98.06142	7.3
99.05656	21.0
115.05109	2.1
117.03535	2.2
118.06658	4.4
119.05066	4.1
135.00935	1.8
141.06731	23.7
145.02934	2.4
147.04564	26.4
147.05864	3.9
161.02411	1.7
164.07185	67.7
165.07431	1.9
172.04478	5.8
177.05643	5.4
189.07056	24.3
197.37448	1.6
203.11984	4.5
207.08252	6.1
222.06908	1.8
223.07729	6.3
226.63936	1.6
233.06081	2.0
234.06955	5.0
235.07643	15.0
237.05667	3.5
245.12990	4.5
250.06502	1.9
251.07159	13.0
251.12372	4.6
261.05637	1.8
262.06567	2.7
263.07230	7.1
266.09497	4.6
278.05978	3.3
279.06653	81.3
280.07132	7.7
290.05902	2.5
291.06677	36.0
292.07373	8.9
293.08228	4.9
293.13516	6.5
294.08896	9.0
305.08392	5.5
306.09012	30.6
307.06186	100.0
307.09494	6.5
308.06631	7.8
321.07846	8.4
322.08505	67.2
323.08939	7.7
337.11838	92.4
337.19717	11.4
338.12177	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	337.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
65.00331	0.8
68.99828	1.3
78.92032	0.4
78.95900	0.6
80.96544	0.7
83.01395	0.6
93.03472	1.9
95.01389	0.5
95.05042	1.3
96.96016	3.2
100.43209	0.4
117.03501	2.2
117.07075	0.9
119.05042	100.0
120.05364	4.1
121.06612	0.5
127.32231	0.5
130.04253	0.8
134.03746	1.5
143.05078	1.2
145.02959	1.3
145.06619	3.5
148.01674	0.7
149.06105	12.3
151.00415	0.8
158.03716	0.8
161.02475	1.6
161.06174	0.9
163.04039	1.1
173.06093	7.5
174.03227	0.5
174.06372	0.6
175.04031	0.7
176.01149	2.1
181.06622	0.9
182.61000	0.5
187.04033	4.2
189.05576	4.2
191.07166	1.0
201.11313	0.6
202.02689	1.0
203.07137	1.3
213.05629	1.0
217.05069	28.4
218.05450	1.8
225.05495	0.6
226.06355	0.7
227.34273	0.5
231.06770	0.5
254.05902	1.8
255.06665	8.9
256.07025	0.7
270.84229	0.5
337.06995	0.6
337.10880	15.4
337.14795	1.0
337.17117	0.7
338.11386	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53742	0.4
59.38094	0.4
63.82016	0.4
71.03593	0.7
90.69592	0.4
93.03461	0.8
96.96026	2.5
117.03477	1.7
117.07113	1.8
119.05042	100.0
120.05383	4.2
121.06608	0.9
143.05042	0.8
145.02988	1.2
145.06572	2.4
149.06168	0.8
158.03743	1.4
161.02477	2.7
161.06085	0.8
173.06104	7.9
187.04051	3.0
189.05576	2.6
191.07158	1.4
217.05086	1.6
269.28168	0.4
277.08844	0.5
319.09769	3.0
337.10846	26.0
337.17145	1.3
338.11243	2.5
342.07431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01319	0.8
60.33926	0.7
69.43726	4.0
75.42407	0.7
99.45760	0.9
133.03004	1.0
145.02992	1.2
162.03235	1.6
169.02995	1.2
170.03777	1.5
172.36879	1.0
177.05608	3.2
180.05740	1.2
193.06578	1.1
195.08176	1.8
205.06525	0.8
206.07394	2.4
207.08179	3.5
208.05344	1.6
209.06004	1.5
213.72008	0.9
215.27144	0.9
217.06512	1.3
219.08119	0.8
221.06203	0.9
222.06866	2.4
223.07687	5.1
233.05963	2.5
234.06947	4.0
235.03978	2.0
235.07701	10.7
236.08244	1.3
237.05623	1.6
238.06091	0.8
245.06096	1.1
249.05615	1.2
250.06245	2.2
251.07144	11.9
261.05600	1.7
262.06451	2.4
263.07199	6.8
264.04453	0.9
264.07883	0.9
266.09497	7.1
278.05823	3.5
279.06644	83.6
280.06982	7.9
290.05780	2.3
291.06671	34.1
292.07324	10.9
293.08136	3.3
294.08984	6.9
305.08264	5.1
306.05466	2.0
306.08966	25.1
307.06165	100.0
307.09518	6.2
308.06534	8.2
308.09952	1.2
321.07715	4.5
322.08466	59.3
323.08865	5.5
337.10849	52.5
338.11230	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	337.1085
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
59.01366	0.3
63.73841	0.4
67.81303	0.3
69.27792	0.9
69.28207	0.9
69.54491	0.3
70.86120	0.3
79.16586	0.3
81.12019	0.3
93.03470	0.6
101.03978	0.6
103.90006	0.4
107.32898	0.3
111.04532	0.4
112.81009	0.3
117.03474	1.0
117.07121	1.9
119.05035	100.0
120.05373	3.7
121.06590	1.1
124.50991	0.3
125.09759	0.3
145.02951	0.5
145.06604	4.5
154.90154	0.3
158.03764	0.3
161.02509	0.4
168.93399	0.3
173.06108	1.3
187.03999	1.1
189.02016	0.4
189.05586	0.9
191.07181	1.7
202.02779	0.4
217.05066	7.1
217.07141	0.7
319.09723	0.5
337.10818	31.3
338.07309	0.6
338.11136	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55961	2.0
58.02978	7.8
59.01378	6.4
59.27031	2.0
62.35693	1.8
69.44246	6.3
69.44659	3.6
72.00919	6.8
73.04082	2.0
91.05550	4.3
96.00894	2.3
96.96021	2.3
98.06117	8.3
99.05643	22.2
111.01939	2.0
114.05636	1.9
115.05136	2.8
117.03503	2.4
118.06638	2.9
119.05034	5.8
119.46078	1.8
123.05662	2.8
123.71439	1.7
123.85229	1.9
133.99188	2.2
135.00856	2.5
135.04503	2.1
139.44569	1.9
141.06725	28.3
147.04526	27.3
147.05927	4.3
149.03424	2.0
162.09268	2.0
164.07173	81.4
165.07486	4.6
172.04382	12.4
177.05602	2.7
189.07072	27.9
195.08121	2.7
203.11905	5.9
206.07356	2.3
207.08151	3.3
223.07686	3.3
234.06941	2.8
235.07637	12.4
245.13014	4.8
251.07213	9.5
251.09496	1.8
251.12253	5.5
253.27782	1.9
263.07111	6.1
266.09348	7.0
278.05899	4.2
279.06656	79.9
280.06967	9.0
291.06665	32.0
292.07449	10.9
293.08105	3.4
293.13324	7.7
294.08936	10.9
295.11383	2.4
305.08154	5.7
306.08978	30.3
307.06171	100.0
307.09506	5.1
308.06674	9.0
321.07639	7.2
322.08472	76.2
323.08801	8.0
337.12070	99.7
337.20087	10.4
338.12421	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03447	0.8
58.00604	1.2
59.01384	100.0
60.01718	1.5
70.03568	1.7
71.01390	46.0
71.05029	0.7
72.99314	0.7
73.02947	1.4
77.78850	0.8
83.01421	2.2
85.02956	10.0
87.00889	1.7
87.60107	0.7
89.02454	48.3
90.02766	0.8
95.01392	3.4
98.22644	1.2
101.02449	26.0
104.91894	0.6
113.02463	17.8
113.09778	1.0
119.03514	25.2
131.03575	1.7
134.25853	0.9
143.03503	2.6
149.04578	1.4
157.08737	1.1
159.32658	0.6
161.04590	1.9
172.50233	0.6
175.09781	1.3
179.05670	2.8
204.39339	0.6
337.15070	89.8
338.15381	7.1
344.29504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01695	1.8
66.61633	1.0
71.01389	1.4
72.16315	1.4
98.75914	1.1
111.76321	1.1
111.77068	1.1
126.73885	1.3
140.20638	1.1
140.80031	1.2
175.43764	1.2
184.31548	1.1
258.42416	1.2
261.07883	1.3
298.68930	1.4
337.15009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
67.15257	1.5
70.65522	3.3
71.01379	8.1
71.48973	1.5
73.02962	1.9
73.25922	1.6
79.82700	1.4
85.02943	2.5
89.02473	10.5
101.02450	2.9
113.02457	1.6
114.82506	1.5
119.03515	4.1
119.05021	2.7
135.04558	2.4
139.95396	1.5
163.03972	3.5
167.84256	1.4
179.05556	3.0
181.81146	1.6
191.05693	1.7
308.26776	1.6
337.15048	4.3
343.43442	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	337.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17081	0.2
69.13225	1.6
77.23725	0.2
79.95786	0.8
93.46841	0.2
96.96022	0.5
97.16130	0.3
104.04882	0.2
115.87634	0.2
119.05030	0.5
160.81758	0.3
163.11320	0.2
170.00421	0.6
182.00488	0.3
182.99692	0.4
183.01225	6.0
184.02013	2.2
196.02040	0.4
197.02789	14.2
198.03578	6.6
209.02821	0.9
210.03510	0.6
211.04343	0.7
223.04346	2.3
224.05089	0.3
230.02605	1.3
237.05884	1.3
251.07541	1.2
251.09810	0.2
265.09094	1.8
273.22232	0.4
279.10550	1.4
280.11002	0.3
293.12219	0.4
307.13824	1.0
308.14841	0.4
309.23575	0.3
321.15332	0.4
337.18448	100.0
338.18781	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	337.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	2.2
69.03463	7.5
78.95915	3.9
83.50895	1.7
96.96027	9.7
107.08671	2.9
117.03442	3.4
119.05056	20.7
119.08676	15.4
121.02917	2.3
125.09756	5.3
135.08179	3.9
137.09737	46.7
138.10074	2.3
149.06020	1.9
165.09235	3.4
171.10289	100.0
172.10628	3.3
173.06128	2.3
201.11366	14.0
216.91341	1.7
217.05133	2.1
273.18607	7.4
291.19739	16.9
309.11343	2.5
309.20776	27.6
310.20956	3.7
337.01474	1.9
337.10916	8.8
337.17145	3.5
337.20554	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	337.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90405	0.3
64.97021	0.4
70.75076	0.7
79.95293	0.7
79.95747	9.5
84.61996	0.3
94.98088	0.8
95.95248	2.7
96.96023	88.4
112.69859	0.4
122.19777	0.3
122.97599	3.2
138.97084	0.5
141.56404	0.3
225.25345	0.3
264.51990	0.4
337.20575	100.0
338.20892	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	337.2388
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
63.74777	1.4
71.41454	1.9
85.06594	1.5
119.05034	2.5
148.50618	1.4
171.10254	13.4
179.64029	1.7
197.02727	2.3
198.03387	1.7
251.16478	12.8
302.86465	1.7
319.22714	7.1
337.18494	16.7
337.23831	100.0
338.24249	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	337.2389
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
52.06890	1.6
52.81649	1.9
57.25453	1.6
59.01392	2.1
69.03456	10.7
71.42940	2.2
79.72350	1.6
83.05010	1.9
96.96028	5.7
107.08691	5.5
108.05808	3.5
115.02283	3.4
119.05056	7.1
119.08686	19.4
135.08205	5.7
137.09732	63.6
138.10103	3.0
141.24141	1.8
156.22758	1.8
199.13420	100.0
200.13779	7.3
213.51384	1.8
216.40620	1.9
229.14452	22.5
239.16386	2.3
301.21762	11.3
308.59982	2.0
319.22882	14.3
320.23026	2.5
337.20697	2.3
337.23898	39.7
338.24103	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	338.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37779	0.8
63.01151	1.7
65.00328	1.3
65.99844	10.4
70.52181	0.8
70.84408	1.7
93.70535	0.8
110.00050	1.1
118.99331	1.5
119.00145	17.5
120.00916	3.4
122.02474	1.1
133.01755	1.0
134.02472	1.5
134.06119	2.4
146.02499	4.0
146.99619	3.6
150.01909	1.0
160.00453	1.0
162.01924	1.8
166.01408	1.0
171.04501	2.2
174.99132	13.8
178.01404	1.0
181.06805	1.0
187.99951	2.6
190.01433	8.0
190.98709	1.1
191.02168	1.3
200.45062	1.0
202.01559	1.4
206.04581	1.8
208.02521	1.3
218.98111	3.1
223.06371	2.0
234.00438	48.4
234.04039	1.9
235.00694	1.5
247.01198	1.6
250.05136	1.1
270.05225	1.2
278.04483	1.8
296.05780	4.3
310.07248	1.6
338.06717	100.0
338.10120	4.1
339.07086	8.9
339.20120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64848	0.8
55.01875	1.4
59.01384	2.5
66.03479	1.2
71.05019	3.7
80.05063	3.8
82.02989	9.5
82.60397	0.8
83.01406	4.3
83.05045	2.3
86.02528	1.0
93.03467	1.4
96.04581	4.9
98.02491	25.9
98.06126	3.9
99.00909	0.9
99.04570	0.9
108.04575	13.9
110.06113	2.7
111.06538	1.0
117.03497	1.7
119.05015	4.4
123.02768	100.0
124.03085	3.3
124.04041	9.9
126.05637	7.1
127.00370	2.9
135.04536	1.7
140.01797	1.7
142.05132	2.5
152.03561	18.7
154.05081	2.7
167.10788	1.0
168.03067	12.3
170.04639	7.8
196.02536	71.2
197.02832	3.1
206.04393	0.9
210.05916	0.9
211.97987	0.9
214.03645	4.3
232.08043	1.3
276.06985	2.8
280.06989	1.3
292.06638	3.4
308.06363	1.8
309.07547	2.2
315.74744	0.9
320.05847	4.5
323.08841	1.7
324.10110	1.2
338.07123	4.4
338.10794	1.8
338.20532	1.5
339.12195	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	338.1037
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
64.42077	0.3
65.00333	10.6
65.99856	0.5
68.99796	0.6
69.03462	0.4
70.15249	0.6
70.15621	0.6
80.89169	0.3
84.04553	6.8
85.04887	0.3
93.79993	0.3
96.04551	4.6
99.13959	0.3
106.68780	0.3
110.00101	1.5
120.04569	0.7
121.01767	0.3
122.02521	0.4
122.06151	3.3
124.04077	1.8
134.06116	0.8
137.99551	0.4
138.05603	0.5
141.07103	0.7
142.05125	0.4
143.05035	0.4
145.06595	0.8
146.06137	2.0
148.04045	1.1
153.07112	0.4
162.01967	0.5
163.00401	0.4
165.00676	0.7
165.07133	0.4
165.99136	1.0
166.05112	16.8
167.05127	0.8
169.06599	1.2
171.04527	4.3
171.08177	0.4
181.06635	0.6
190.05118	12.3
191.05312	0.6
196.05293	0.4
196.11639	0.3
209.06100	3.2
211.03970	0.4
228.10342	1.3
234.04095	14.9
235.04350	0.8
244.12798	0.4
252.10291	1.2
253.05136	1.1
254.08136	0.4
260.05627	0.9
266.11859	0.5
268.09875	1.0
269.04547	0.5
269.07071	0.4
270.05356	2.4
270.11349	0.5
271.05789	0.4
276.10281	0.9
294.11401	4.7
295.11819	0.4
296.09329	5.7
338.10361	100.0
339.10626	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	338.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	2.0
69.05186	1.6
95.05069	0.4
97.06597	1.3
113.71764	0.3
119.05013	0.9
128.10835	10.4
129.11230	0.4
130.08749	100.0
131.09081	2.8
135.08144	0.5
147.08159	0.3
160.79564	0.3
172.09819	1.0
199.54001	0.3
201.40062	0.3
308.06729	0.5
309.07663	1.6
324.09854	0.6
338.19760	39.6
339.12500	1.1
339.20023	4.0
362.64047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0507
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
51.83670	1.2
51.87966	1.6
55.01864	2.2
61.72016	1.3
63.02393	5.3
65.00323	4.1
68.99803	5.1
70.02973	1.5
70.72594	1.7
75.02409	26.6
81.03461	2.3
91.01902	28.9
93.03470	10.7
95.01395	18.5
98.02507	1.6
101.03983	1.7
103.01897	1.6
106.02959	4.1
107.01394	2.3
109.02948	5.8
110.02471	3.2
117.03461	5.5
119.01395	45.9
119.05024	2.6
120.01687	2.0
121.02946	2.7
123.00881	8.7
127.05550	1.9
131.05058	2.0
135.00899	18.8
135.04558	9.7
137.02422	3.4
143.05058	2.0
145.02940	1.8
147.00851	4.4
149.02443	4.7
152.03564	4.1
161.02472	2.0
163.00386	73.0
164.00748	3.7
165.01910	6.0
165.07156	4.1
166.99861	1.5
171.04491	5.1
171.08089	1.5
178.07919	1.8
179.08701	3.6
181.06650	2.0
187.04051	1.9
189.99135	3.7
190.99883	14.3
192.02975	2.4
193.06584	2.0
194.04527	1.7
195.08154	6.1
197.06126	3.1
205.06586	1.9
206.07430	3.0
207.08191	4.6
208.05319	1.8
209.06090	3.1
211.07697	3.4
217.01462	9.0
221.06050	3.2
223.07686	15.9
225.05614	13.3
225.09076	1.7
235.07668	1.9
239.07179	3.3
251.07248	4.3
253.05135	8.5
253.08743	6.6
267.06641	80.8
268.07053	7.4
277.04861	2.0
295.06146	100.0
296.06741	8.3
296.09042	8.3
312.08868	2.4
322.07175	5.0
339.05099	50.9
340.05896	3.1
340.08630	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
57.95313	0.2
63.02161	0.2
63.02402	2.7
65.00320	2.8
65.99842	0.5
68.99812	3.1
69.56774	0.8
72.14552	0.2
72.47811	0.3
79.01899	7.9
81.03010	0.4
81.03465	5.1
91.01890	0.3
91.05553	0.3
99.00887	3.3
100.01236	0.3
101.03992	0.4
103.01917	0.5
105.03468	0.9
107.01386	4.2
108.02170	1.0
109.02959	38.6
110.03307	1.3
119.05035	0.4
123.04491	0.3
124.01686	0.4
131.01401	0.7
133.02933	0.8
134.06129	0.3
135.00900	2.0
135.04543	0.5
137.02448	1.7
139.04015	0.3
143.05020	0.7
147.00885	0.5
148.01686	0.8
149.02477	0.5
151.00369	1.1
151.05540	0.7
152.01205	0.3
153.01997	1.4
157.06569	0.3
161.02435	0.3
163.00343	0.6
163.04034	1.3
165.07080	0.9
167.03505	100.0
168.03871	4.3
171.04507	2.5
173.05974	0.4
175.00328	0.5
176.01141	0.5
177.02010	0.3
177.52818	0.2
178.99902	0.5
179.08624	1.2
181.05072	0.4
181.06613	0.5
187.03940	0.3
191.03447	0.8
191.08635	1.5
192.08971	0.2
193.06577	0.9
195.08185	0.6
206.07399	0.6
207.03001	2.8
207.08160	5.8
208.08670	0.5
209.06076	0.4
209.09691	0.3
211.07640	0.8
217.06586	0.7
219.08170	0.9
221.06070	1.2
223.07651	0.7
229.40009	0.3
233.06100	0.4
234.06847	0.8
235.02531	4.8
235.07611	6.2
236.02820	0.4
236.08331	1.2
237.05640	0.5
237.09145	0.5
239.07164	1.1
240.07361	0.3
241.08620	1.2
251.07079	1.2
252.07930	1.0
253.08670	1.8
254.85008	0.3
255.06670	0.7
261.05527	0.4
262.06247	0.3
263.07166	7.3
264.07513	0.6
265.08701	0.9
267.06641	0.7
267.10272	2.7
268.10321	0.4
270.07675	0.4
277.08698	0.5
279.06696	1.7
280.07220	0.7
293.08298	0.5
295.06573	0.3
295.09799	4.7
296.09628	0.9
297.07706	0.6
307.06104	1.7
311.09155	1.4
321.07730	1.8
339.08749	52.6
340.08966	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40469	0.7
59.01377	1.4
63.74211	0.7
68.51926	0.9
74.41690	0.8
86.89829	0.8
93.03461	0.8
96.96017	1.2
97.68179	0.7
99.83139	0.9
100.97343	0.7
117.03472	1.7
119.05016	3.2
133.02979	2.9
135.04494	0.9
145.03003	4.1
157.02864	0.8
159.04465	0.9
163.03998	1.2
178.95888	0.8
179.07278	1.2
191.08675	1.1
193.06610	0.8
207.08141	3.4
217.06628	2.3
218.07254	1.2
219.08156	2.3
220.05212	1.5
221.06139	1.8
225.05682	0.9
225.09294	1.5
233.06104	1.4
234.06787	1.9
235.07672	6.3
236.08211	1.3
237.09148	1.5
239.07118	2.0
245.06084	2.0
246.06764	1.6
247.07660	3.0
251.03529	1.6
251.07143	0.9
252.07768	1.5
253.08807	5.1
261.05508	1.0
262.06247	1.2
263.07162	17.3
264.07700	2.7
265.08487	1.3
268.10986	2.4
275.07111	2.0
276.08047	1.3
280.07355	1.9
281.08203	30.6
282.08478	1.5
291.06674	6.6
292.07410	2.5
293.08215	9.5
294.08862	3.8
295.09583	1.7
296.10590	4.8
307.09665	4.0
308.07104	1.4
308.10464	7.1
309.07724	100.0
309.10947	4.4
310.08002	10.5
310.11237	0.9
323.09283	11.2
324.10025	73.0
325.10391	7.6
339.12354	54.9
340.04755	4.1
340.08902	0.8
340.12726	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	339.1239
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
67.81199	0.3
69.16264	1.8
88.25716	0.3
106.07909	0.3
117.03580	1.1
119.05112	0.6
133.03052	0.3
135.04568	0.5
145.02951	3.8
146.03821	0.7
157.03015	0.6
163.03989	1.6
165.07222	0.3
170.03807	0.5
179.07210	1.1
179.08786	0.8
180.05962	0.4
185.02509	0.6
189.07256	0.4
191.08772	1.4
193.06673	0.8
194.07346	0.7
195.08189	0.6
196.05371	0.4
196.08852	0.6
197.06186	0.4
197.09756	0.5
204.05975	0.4
205.06630	0.4
206.07474	0.4
207.08136	2.3
208.05453	0.3
208.08525	0.4
209.06107	0.4
217.06586	2.1
218.07417	0.9
219.08154	2.7
220.05399	1.2
221.06128	2.9
222.06874	0.5
223.07642	1.5
224.04915	0.4
224.08443	0.6
225.05606	1.2
225.09332	1.3
230.07164	0.3
233.06090	1.8
234.06895	1.9
235.07652	7.4
235.09937	0.5
236.08302	1.0
237.05772	0.4
237.09193	2.5
238.06158	0.6
239.07172	1.8
245.06097	2.5
246.06892	2.9
247.07713	2.1
248.04904	0.9
249.05664	0.8
250.06462	0.4
251.07149	1.5
252.08000	1.2
253.05090	0.4
253.05948	0.4
253.08737	5.2
254.09161	0.5
259.07819	0.4
261.05585	0.9
262.06357	2.8
263.07132	19.3
264.07693	2.7
265.08670	1.4
266.05942	0.3
267.10345	0.6
268.10965	2.0
273.05701	1.3
274.06409	1.2
275.07077	2.8
276.07877	1.1
277.08606	0.5
279.06854	0.7
279.10275	0.5
280.07458	2.4
281.08200	31.0
282.08514	2.6
290.05872	0.7
291.06631	7.9
292.07278	2.9
293.08182	8.9
293.11401	0.6
294.08908	4.2
295.09671	2.3
296.10535	4.3
297.11008	0.4
306.08975	0.8
307.09750	3.3
308.06958	1.0
308.10483	6.5
309.07715	100.0
310.08051	10.1
323.09244	9.6
324.10031	75.1
325.07565	0.2
325.10367	7.7
339.12372	50.1
340.12686	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	339.124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64629	0.4
56.64933	0.5
57.56882	0.4
65.18201	0.5
69.03494	0.5
69.18825	3.2
88.61355	0.5
98.21877	1.2
99.56838	0.5
111.89078	0.5
117.03558	0.9
117.73404	0.5
131.05000	0.6
133.03059	1.0
135.04564	0.6
145.02960	4.0
146.03748	0.6
162.03343	0.6
163.04135	1.6
179.07291	1.0
191.08762	1.7
193.06548	0.5
195.08244	1.2
197.09781	0.8
206.07500	0.5
207.08167	2.6
209.06259	0.6
217.06660	2.2
218.07312	1.2
219.08115	2.6
220.05333	1.1
221.06070	3.1
223.07721	1.3
224.04878	1.1
224.08365	0.7
225.09312	0.6
233.06213	1.5
234.06918	1.8
235.07632	6.0
236.08310	1.2
237.05602	0.7
237.09300	2.3
239.07274	1.6
245.06094	2.5
246.06909	2.2
247.07684	2.2
248.08064	0.5
251.07159	1.4
252.07848	0.9
253.04933	0.8
253.08716	5.6
257.05966	0.6
262.06360	3.6
263.07126	19.0
264.07709	2.8
265.08835	1.4
267.10333	0.9
268.11142	2.5
273.05719	0.8
274.06485	1.1
274.72125	0.5
275.07294	1.6
276.07855	0.8
279.06787	1.1
280.07349	2.6
281.08231	27.9
282.08597	2.3
283.84125	0.5
290.06030	0.5
291.06638	8.3
292.07278	3.1
293.08237	7.7
294.08960	3.9
295.09827	1.8
296.10562	3.9
306.09021	0.6
307.09628	3.2
308.07196	0.9
308.10547	6.7
309.07730	100.0
310.08051	10.3
310.11206	0.5
323.09280	8.2
324.10052	74.6
325.10373	8.1
339.12369	49.8
340.12695	5.5
343.37424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58496	1.4
55.01876	5.3
57.03440	3.0
59.01384	58.7
61.98831	4.5
71.01387	42.4
71.01691	0.8
71.01788	1.5
71.10822	1.9
72.99306	2.0
73.02950	19.8
75.00875	1.9
78.95909	6.4
83.01398	8.8
83.29588	1.3
85.02953	23.9
87.00896	2.2
89.02461	18.5
95.01395	1.6
96.96021	1.6
97.02960	2.7
98.45051	1.7
99.00879	6.3
101.02454	51.8
111.00904	2.7
113.02459	14.8
119.03442	2.0
125.02499	1.9
131.03510	11.3
133.01538	3.9
138.93678	1.7
140.64487	1.4
143.03473	2.7
145.45355	1.3
149.04572	2.1
157.07797	1.8
159.02998	1.9
161.04565	12.1
178.07375	15.6
194.95589	1.6
207.08749	100.0
208.09154	3.2
252.78159	1.5
296.93808	2.2
313.98648	1.7
338.94855	2.1
339.01636	1.9
339.12988	49.3
340.09033	2.4
340.12836	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	339.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01710	0.9
62.02398	0.7
62.15617	0.8
69.55552	3.3
71.01390	3.0
71.62515	0.7
73.02966	2.5
78.95897	1.5
84.87035	0.9
85.02950	1.9
89.02425	0.9
101.02451	3.3
107.71815	0.9
113.02426	2.5
139.01695	1.5
140.42902	0.7
159.03065	0.9
161.04573	4.1
181.06384	1.3
191.97113	0.9
201.66356	0.8
208.52840	0.8
279.14545	6.7
326.11093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40753	0.6
61.98833	0.6
64.15856	0.5
65.00325	0.8
67.80051	0.6
70.55550	0.9
79.95766	1.5
96.95990	0.6
98.95584	0.8
119.05022	2.2
133.83745	0.6
163.11295	59.3
164.11679	3.3
170.00467	1.9
172.10379	0.5
183.01224	55.1
184.01866	3.5
197.02821	2.4
198.03569	0.6
225.05818	0.8
239.07542	1.5
255.02916	0.8
257.04575	0.8
293.18988	0.7
339.19949	100.0
339.23416	24.4
340.20264	10.7
340.23758	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	339.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00044	0.6
53.73124	0.4
68.51160	0.4
69.76929	0.4
70.54075	0.9
74.73618	0.5
79.95738	0.9
98.95621	1.0
99.88209	0.5
100.48284	0.4
119.05053	1.2
159.51036	0.4
163.11301	100.0
164.11623	6.2
170.00507	1.6
183.01218	49.2
184.01749	2.6
197.02797	1.9
198.03455	0.6
239.07462	0.8
286.98416	0.4
339.19971	86.3
339.23419	37.5
340.20282	9.7
340.23752	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	339.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85564	0.3
62.16120	0.3
70.57924	0.7
79.95745	1.3
89.37393	0.3
98.95602	0.8
109.63229	0.3
119.05049	1.9
155.98897	0.5
163.11298	29.9
164.11626	1.3
170.00458	2.6
183.01218	59.5
184.01711	3.3
197.02782	2.9
198.03383	0.4
203.76921	0.3
213.95464	0.3
225.05927	1.1
239.07455	1.2
252.89333	0.4
276.50415	0.3
287.47617	0.4
339.19940	100.0
339.23373	11.1
340.20288	11.9
340.23578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43275	0.5
54.75375	0.4
69.58090	1.6
79.95756	1.3
98.95567	0.7
119.04990	1.1
148.24251	0.4
154.21974	0.5
162.04854	0.5
163.11301	83.1
164.11642	4.9
170.00470	1.4
183.01227	47.9
184.01640	3.6
197.02797	1.9
198.03535	0.7
225.05997	0.9
239.07535	0.7
339.19977	100.0
339.23413	51.7
340.20294	10.3
340.23740	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	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.95113	0.8
69.95485	0.7
79.11658	0.3
147.08177	0.4
163.11298	100.0
164.11627	4.9
245.03780	0.4
265.76321	0.3
302.65686	0.4
339.23297	44.4
340.23627	8.3
362.21054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0464
Annotation	7-Methoxyaristolochic acid II
Peak:m/z	Relative Intensity
50.32986	0.6
52.59477	0.5
58.02982	1.9
58.49941	0.6
59.01377	0.7
59.76276	0.5
65.00327	0.9
69.01508	0.6
69.80677	1.8
71.01399	0.9
90.03493	0.8
91.01911	3.4
96.96026	1.5
97.04118	0.9
114.05618	14.0
115.01876	0.8
116.07198	8.3
117.03504	0.9
118.03006	1.3
118.98106	3.4
119.05096	0.9
130.08719	1.2
132.02206	1.7
133.02968	59.9
134.02412	0.8
134.03317	2.3
135.00870	3.6
138.02020	1.6
155.08321	0.9
155.11897	0.6
159.00922	2.6
161.02519	2.1
163.00385	1.4
163.99884	0.8
164.98221	0.8
166.08763	2.4
167.05013	2.6
173.02425	0.7
175.04048	1.5
178.01459	2.6
179.07188	1.4
180.10352	0.8
183.11415	2.6
187.00409	2.4
195.04532	7.5
197.06102	0.8
199.03984	0.7
201.01933	10.1
202.02145	0.8
204.28586	0.7
206.01025	1.2
207.04541	3.0
211.04013	3.2
213.05571	2.8
222.03218	3.2
223.04007	5.6
223.10950	3.0
225.05605	1.1
225.12494	1.6
227.03528	0.9
235.03859	0.8
239.03528	3.4
249.10326	0.7
250.02718	4.1
251.03514	30.3
252.03926	2.6
253.04919	0.7
254.18752	1.9
267.02951	2.3
269.04599	6.7
279.03024	11.4
280.03186	1.1
285.03995	0.7
294.04184	2.1
295.02466	10.9
296.02762	0.9
296.19870	1.1
297.04083	2.6
312.05130	21.7
313.05554	1.4
322.03577	4.8
323.01932	15.3
323.16263	1.2
324.02228	1.7
325.95230	0.7
340.04636	100.0
340.18683	10.7
340.22433	1.2
341.04962	8.8
341.12582	1.0
341.16132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	3.1
68.99833	1.7
75.02386	1.3
77.03974	1.6
77.19666	0.8
79.01890	3.5
81.03465	4.1
83.01403	2.5
89.03995	1.9
93.03470	1.9
95.01388	2.2
95.05088	0.9
97.02956	2.6
98.02490	0.9
105.03474	14.7
106.04270	0.9
107.01411	2.5
107.05045	1.7
109.02981	2.9
117.03454	1.4
118.04224	2.5
119.01407	1.7
119.05061	2.8
120.02246	0.9
120.99329	1.0
121.02969	11.1
121.86823	0.8
123.00900	1.8
123.04534	3.5
125.02464	7.0
131.05014	1.5
133.02971	9.6
134.03731	2.7
135.00922	2.6
135.04520	1.4
136.01599	0.8
137.02458	2.2
143.05177	0.8
145.06575	2.4
146.03749	1.4
147.00894	6.0
147.04538	4.6
148.01390	1.4
149.02455	22.9
150.03227	0.9
151.00426	1.0
151.03995	1.3
157.06590	1.1
159.04474	0.9
161.02473	1.8
162.03220	6.4
163.00378	9.5
164.01152	3.1
165.01959	5.4
166.07953	0.9
167.03528	0.9
167.08669	1.3
169.06602	2.3
171.04541	5.3
173.06082	2.9
175.00397	2.4
176.01073	3.1
177.01945	79.0
178.02785	1.6
179.08716	2.1
181.06657	1.4
181.10239	1.5
183.08145	3.3
187.04036	1.6
187.07742	1.5
189.99078	2.3
190.02695	8.4
190.99930	8.4
191.01477	1.1
191.02026	0.7
191.03508	6.7
191.08641	1.9
193.01418	3.3
193.10257	1.4
195.08156	5.6
197.09729	1.4
202.99855	1.5
204.00337	1.1
204.04134	0.8
204.05873	1.0
205.01463	7.2
206.07365	1.0
207.08142	4.1
209.06212	1.3
209.09694	3.4
210.06897	1.4
211.07622	5.6
213.05394	1.1
215.13495	0.8
217.01089	1.2
218.02142	2.7
218.99367	17.3
219.02884	1.8
219.08125	7.5
221.06087	2.2
221.09770	5.8
221.15944	0.8
222.06801	3.2
223.07664	5.6
225.05669	1.7
225.09219	5.0
227.07234	4.0
231.02998	3.4
235.07674	7.4
236.08147	1.2
237.04013	1.9
237.09218	12.1
238.06207	1.3
239.07178	5.6
242.08231	1.0
247.07655	6.0
249.05556	3.0
250.06355	2.2
251.07077	5.5
253.04984	1.2
253.05986	1.4
253.08716	18.5
254.09283	1.1
255.06770	1.2
262.06256	1.6
263.07257	27.8
264.07742	3.1
265.08722	49.6
266.05835	1.3
267.06659	42.0
268.07422	82.9
269.08224	7.7
270.08078	2.1
279.06635	0.8
279.10233	1.7
279.13071	0.8
280.06976	1.5
281.08197	20.6
291.06665	48.8
294.05255	1.6
294.08221	1.0
295.06116	11.0
296.06473	1.1
297.07721	100.0
298.07996	8.6
308.06461	3.4
309.07724	74.3
312.08841	11.5
323.05579	25.8
323.09286	10.9
324.05936	3.1
326.08054	0.8
340.08414	13.2
340.12122	1.4
341.10324	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03057	0.3
65.00326	2.8
65.99850	0.5
68.99828	0.9
70.57198	0.4
71.01377	0.5
71.40978	0.5
79.01871	0.4
81.03476	0.6
82.02995	2.0
83.01390	0.7
84.23964	0.4
85.30859	0.4
89.00336	4.2
92.05080	0.6
93.03478	0.6
94.00570	0.7
94.03001	0.5
95.00175	0.4
96.00942	0.4
96.04587	1.1
99.00921	0.5
100.05524	0.4
106.02991	1.2
108.00939	1.0
108.04567	0.4
109.02961	2.0
111.80757	0.3
112.04120	0.3
119.05028	1.5
120.00981	0.7
120.04539	1.1
121.02966	0.9
122.02476	0.9
123.04540	0.5
124.04051	6.6
125.02496	0.5
130.03029	0.5
131.05037	0.5
133.02954	1.0
134.02458	0.5
136.00366	0.8
136.04066	2.6
137.02502	0.8
143.05106	0.6
145.06627	0.5
146.02496	1.8
148.01701	0.4
148.04050	1.4
149.01221	1.0
149.02470	0.8
149.99643	0.4
150.02042	0.6
152.03540	0.4
157.06735	0.5
159.80641	0.3
160.98837	6.0
162.01996	2.8
163.00368	0.7
164.03558	12.3
167.03519	1.0
169.06631	0.7
171.04562	2.4
173.06053	1.1
174.01985	0.4
175.04080	0.8
176.01137	0.7
177.02011	1.1
177.04279	0.6
179.07423	2.1
181.06610	0.6
185.06036	0.5
187.04128	0.4
187.53920	0.4
190.01491	1.1
192.03076	4.2
193.01474	1.9
197.06053	0.5
199.07715	0.4
203.03590	0.5
204.97818	5.4
205.03755	0.7
209.06177	0.5
210.07089	0.4
210.09271	0.4
212.07024	0.5
218.04596	5.3
221.06094	0.8
222.05624	1.3
223.06223	2.8
225.05511	1.1
226.06483	0.9
226.08669	4.5
226.16969	0.4
227.07007	0.4
237.00453	1.0
238.05211	0.5
240.06662	1.4
240.10397	0.9
241.08777	0.9
250.08704	0.6
251.07129	0.6
252.10434	0.8
253.05002	0.9
254.05933	1.0
254.08279	3.0
255.06497	0.4
265.05145	1.1
265.08554	0.4
267.05438	1.4
268.07040	0.5
268.09827	13.2
269.10294	0.8
278.08313	1.0
294.07834	0.4
296.09311	100.0
297.09796	8.7
309.04187	3.5
309.07608	0.7
310.62735	0.4
340.08258	1.4
340.11856	2.1
341.06625	5.1
341.10437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
65.00319	3.5
65.99854	5.4
68.57587	0.8
68.99838	1.0
71.28848	0.7
74.34836	0.9
81.03484	0.7
98.02487	11.6
106.03001	0.8
108.90928	0.8
109.01726	1.0
109.02941	1.2
109.78651	0.9
110.02504	2.1
119.05019	4.6
120.00964	0.9
120.04539	1.0
122.02506	1.8
123.03290	2.3
124.04052	1.6
126.01985	13.3
134.02515	2.3
135.03276	3.2
136.00447	1.7
138.02007	1.7
140.03560	5.6
141.01944	0.9
143.05016	2.2
148.04066	1.2
150.01933	1.0
151.02780	3.3
157.06654	1.0
163.00406	1.0
163.99913	1.0
164.03598	0.8
165.00612	1.4
165.07060	1.0
166.01447	2.5
168.03008	11.5
171.04549	3.1
171.10271	1.7
172.04868	1.0
173.06111	1.0
175.99962	3.9
177.01964	2.3
192.03062	5.0
193.12424	0.8
195.80324	0.8
200.07271	1.3
203.99379	0.9
209.06148	1.1
211.04099	1.1
218.00992	1.0
220.02521	2.2
225.05679	1.0
225.14981	1.8
226.08771	3.2
228.06580	4.2
236.01945	4.0
242.08232	28.1
243.08554	2.4
252.06883	1.0
253.05032	1.5
255.03030	4.7
268.06714	1.2
268.09784	0.9
269.04349	1.0
270.07715	52.2
271.08151	4.7
280.06476	6.4
281.06403	0.8
296.06122	1.2
296.09357	4.9
297.07745	2.4
298.07608	1.1
308.05795	1.3
312.08859	13.4
312.12329	1.6
313.09259	1.3
323.05539	1.2
340.08273	100.0
341.08588	9.1
341.14114	1.3
341.17868	1.4
341.23422	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	340.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
64.01916	1.1
65.00321	1.7
65.99848	5.8
68.01408	2.0
68.99789	1.0
70.02971	2.1
78.76682	0.7
82.02994	13.4
91.02830	0.9
93.03455	5.8
93.46479	0.6
96.00947	0.8
96.04587	0.9
98.22659	1.9
108.00914	1.6
110.02492	12.6
117.03497	1.4
119.05043	44.7
120.04559	1.3
120.05351	2.3
121.03011	0.7
122.02483	1.0
124.04047	5.0
130.08777	1.7
132.00960	1.4
132.04530	1.0
133.02930	0.8
134.02495	1.9
136.00423	3.4
136.04044	1.3
139.12775	0.7
143.05064	1.8
145.02956	2.5
147.00993	0.8
148.04080	2.0
150.01968	1.3
151.00415	1.1
152.03555	17.9
153.01936	1.8
153.03903	1.0
157.06563	0.9
162.01926	0.7
163.99867	1.5
164.03555	8.0
171.10387	0.8
175.99907	14.3
176.03380	0.8
178.01491	1.0
185.06108	1.2
187.04024	2.9
188.31799	0.8
190.01411	1.7
192.03018	7.6
194.01004	0.7
194.04688	1.4
202.01483	2.2
206.04590	1.9
218.04662	0.7
220.02553	7.8
234.04118	0.9
242.29239	0.7
246.04170	1.5
252.06776	1.0
268.09842	0.7
269.04608	1.1
283.09805	1.0
284.05725	1.9
289.68573	0.8
294.08078	0.8
296.05734	12.3
296.09198	1.4
297.04059	1.1
298.07285	1.8
311.09399	3.5
312.08817	8.4
322.07611	0.7
326.11655	2.2
340.08289	100.0
341.08466	9.1
341.13956	4.1
361.64233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37743	0.5
53.62093	0.5
58.05006	0.6
68.99789	0.7
71.40684	0.6
78.01105	2.1
81.03468	0.6
83.01379	0.8
86.01454	0.5
91.01888	0.8
102.41553	0.6
105.03463	1.0
106.04309	0.7
108.02188	0.6
109.02955	0.8
110.06137	1.0
112.07675	0.8
118.86916	0.5
119.05035	3.0
121.03041	0.7
122.03746	1.2
122.62679	0.6
123.00896	0.9
124.01707	1.5
125.63609	0.6
134.06123	2.1
136.01685	1.0
136.07686	10.2
137.02467	1.1
137.08032	0.7
145.03050	0.7
149.02472	1.8
149.99603	2.3
150.03198	2.0
152.01164	0.6
162.03288	0.9
163.00398	1.1
163.03978	1.8
164.01115	1.4
164.07149	1.0
165.01952	2.4
168.06641	1.2
171.04555	0.8
173.06067	1.6
173.24374	0.7
177.01872	1.0
178.02727	1.7
179.03418	0.6
180.06656	2.1
181.06656	1.3
191.03517	13.6
192.00610	1.1
192.02989	2.8
205.05072	8.1
206.02235	0.5
206.04501	3.0
208.06209	8.9
212.04712	1.0
221.06877	2.1
225.05508	0.7
236.01991	0.8
236.05681	7.9
252.14180	0.7
267.06497	0.7
268.07343	1.3
270.05414	0.8
270.11395	1.1
271.06146	1.9
272.06931	0.8
282.08987	2.2
284.12955	1.6
294.11337	2.7
296.12976	1.3
310.08487	0.7
312.12457	31.9
313.12619	3.0
322.10916	6.1
323.11514	0.8
340.08459	5.8
340.11917	100.0
341.12360	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	340.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41589	0.4
63.55857	0.4
69.09807	2.7
78.01112	2.8
83.01398	0.5
90.97836	0.5
105.03438	0.6
106.04221	0.8
108.02193	0.6
109.02971	1.0
110.00098	0.9
110.02481	0.8
112.07652	1.0
117.03484	0.7
119.05054	2.9
121.02969	0.8
122.00113	0.5
122.03693	0.8
123.00928	0.8
124.01652	1.9
134.06120	1.7
136.01648	1.5
136.07700	10.8
137.99582	0.9
147.04521	1.3
149.02466	1.6
149.99605	2.0
150.03233	3.1
150.05626	1.0
151.00322	1.0
151.03957	0.9
152.01141	1.7
157.06522	0.6
158.76683	0.5
162.03268	0.5
163.00388	1.0
163.04036	2.4
164.07178	1.3
165.01949	1.3
168.00620	0.6
168.06683	1.9
169.06726	0.6
171.04517	0.6
173.06053	1.8
177.01920	1.5
178.02727	1.9
180.06691	2.5
181.06616	1.3
185.06116	0.7
191.03523	13.5
192.03929	0.6
192.06657	2.9
194.02295	0.6
194.04567	1.9
205.05077	7.5
206.04517	2.6
208.06172	9.6
209.06471	0.7
213.05740	0.7
221.06934	1.4
226.06369	0.7
234.04048	0.7
236.05652	8.5
238.06456	0.6
239.07147	0.5
240.06642	6.9
241.06966	0.6
248.65552	0.5
250.12363	0.9
254.05814	1.0
254.09395	0.7
264.08032	0.6
270.05533	0.6
270.11334	1.2
271.06033	2.1
272.06793	0.8
278.11816	0.6
282.08896	0.9
284.12848	1.3
290.36563	0.4
294.08096	0.8
294.11273	2.7
296.12811	2.4
310.08389	0.6
312.12427	32.6
313.12747	3.1
322.07162	0.8
322.10834	6.1
340.11902	100.0
341.08273	0.7
341.12219	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	340.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30362	0.7
58.80964	0.6
60.49955	0.7
65.00321	2.6
65.99849	13.9
68.27547	0.7
68.99814	3.5
70.53253	1.0
81.02209	3.6
96.00928	4.3
97.04170	0.7
99.62312	0.8
108.00899	1.7
109.01701	19.0
110.00098	3.9
119.05034	2.2
120.00929	9.3
121.01712	16.4
123.03194	0.9
124.00441	0.9
136.00410	7.9
137.01212	8.1
137.99590	1.9
143.04971	1.9
150.01999	2.5
151.00369	0.8
151.87015	0.8
151.99918	0.8
163.00252	0.9
163.99902	5.0
165.00685	92.4
166.01065	3.4
167.66786	0.8
171.04469	0.8
177.01927	1.2
178.01521	4.7
240.06694	2.1
241.07341	1.5
242.08217	2.9
247.17236	0.8
255.03018	2.9
255.06625	1.0
268.03345	1.6
268.06146	20.7
269.06937	100.0
270.07578	14.5
296.09195	1.6
297.07773	2.6
308.05887	0.9
340.08447	3.3
340.11896	58.0
341.12262	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	340.1261
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
57.65636	1.3
59.01384	13.9
59.51122	1.2
60.29151	1.3
71.01387	8.1
71.40112	1.4
73.95556	1.3
78.95915	5.3
79.54102	1.3
88.04059	1.7
89.02454	8.9
96.97025	1.4
101.02449	6.0
110.16924	1.3
113.02446	3.4
114.05618	2.3
119.03519	3.2
133.01578	29.0
134.87267	1.2
140.86653	1.2
151.02631	5.5
157.68071	1.3
158.31497	1.2
161.04602	3.3
161.83945	1.2
163.04993	4.8
176.62355	1.1
177.06612	1.9
178.07358	100.0
179.05643	4.7
179.07616	3.5
192.09027	1.3
193.33031	1.5
242.70421	1.1
264.91437	1.2
267.07419	2.4
340.08887	2.2
340.12619	50.3
341.13461	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	341.0669
Annotation	Boeravinone D
Peak:m/z	Relative Intensity
59.56147	0.6
61.00858	0.5
64.99979	0.9
65.00326	15.7
66.00702	0.6
70.71332	0.5
70.91637	0.6
89.00340	42.6
90.00662	1.3
95.26209	0.6
108.99368	1.0
116.81974	0.6
119.05006	0.7
132.99301	1.4
135.04550	0.7
137.02499	0.6
145.06627	0.9
163.00311	0.6
171.04526	5.5
176.98312	38.5
177.98682	1.7
197.06168	0.8
209.06113	0.7
213.05556	0.6
237.05585	1.4
239.03497	6.4
254.44853	0.6
257.04694	1.5
276.63861	0.6
280.81924	0.5
281.04572	100.0
282.04916	7.6
309.04102	3.1
313.07135	0.9
317.54660	0.6
341.06686	10.9
341.10486	1.1
341.13934	1.1
341.17834	0.8
342.06696	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	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	29.6
69.24297	4.3
71.01389	12.5
73.02956	9.5
74.02490	1.7
78.78202	0.6
79.00777	0.7
83.01393	1.5
85.02965	3.4
89.02438	8.0
89.02859	0.7
92.05039	0.8
95.01387	1.4
101.02450	5.6
103.57064	0.8
104.83834	0.7
105.44368	0.7
105.45063	0.7
113.02465	6.1
114.05606	4.5
117.03488	3.5
119.03512	2.6
119.05038	12.1
133.02931	0.9
134.03726	3.3
135.04541	98.1
136.04889	3.7
137.02454	7.6
137.06122	1.3
143.44136	0.7
151.00302	0.9
161.02457	2.2
161.04524	1.0
179.03514	100.0
180.03967	4.3
221.04494	0.7
222.07742	1.2
225.37607	0.7
226.12059	1.0
253.05052	1.4
271.06345	0.8
276.14844	0.7
281.04318	1.2
281.07123	1.1
281.10071	3.2
304.19421	0.7
306.04248	0.8
341.08621	11.3
341.18164	1.7
342.06015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01089	0.5
59.01384	8.3
69.38957	1.3
71.01397	3.7
74.53375	0.3
77.28854	0.3
81.73366	0.3
85.02958	0.8
87.32515	0.3
89.02453	2.1
98.21790	0.3
101.02466	1.8
109.02941	0.4
113.02457	1.0
114.05627	1.0
115.01959	0.3
117.03501	0.9
119.03535	0.7
132.02199	1.2
133.02980	28.1
134.03302	0.7
135.04555	8.2
149.06169	0.6
161.02469	100.0
162.02809	5.1
177.05600	1.1
179.03525	15.4
180.03792	0.7
203.03506	1.5
221.04584	1.3
251.05652	1.0
281.03806	0.3
281.06555	1.5
341.08737	8.3
342.09149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41774	1.0
55.01859	1.8
57.03444	2.2
59.01384	100.0
60.01705	2.1
70.94585	1.2
71.01385	51.7
71.05004	1.8
72.01705	1.0
72.99315	1.8
73.02966	4.7
78.95913	1.5
83.01395	3.8
84.99165	0.9
85.02960	12.5
87.00871	3.3
89.02451	52.3
95.01371	4.7
101.02448	32.5
102.60251	1.0
113.02461	18.9
114.05576	1.4
117.03519	2.3
119.03513	25.8
131.03502	1.8
133.02985	1.5
135.04529	1.8
136.98982	0.9
143.03496	2.7
149.04591	2.6
159.06592	1.1
161.02484	4.9
161.04555	6.0
179.03734	1.7
179.05608	6.3
203.03502	3.8
220.57037	1.1
227.67981	1.1
341.09085	85.0
342.09528	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0914
Annotation	Caulersin
Peak:m/z	Relative Intensity
55.01875	1.4
55.06550	0.7
57.03437	1.4
57.54677	0.8
58.00598	1.6
59.01385	100.0
60.01695	0.9
69.43400	3.3
71.01389	49.8
71.05013	1.3
72.99328	1.4
73.02952	4.9
78.95913	1.8
83.01374	3.3
85.02958	11.0
87.00863	2.6
88.04031	1.1
89.02451	54.8
90.02795	1.2
95.01402	4.1
96.00912	0.8
98.22696	1.2
99.00872	2.0
101.02455	32.8
102.98595	1.1
112.85182	0.9
113.01736	1.2
113.02464	19.7
114.05618	1.4
119.02666	1.3
119.03519	24.3
119.04939	1.4
126.87926	0.8
131.03516	1.4
133.02977	1.8
135.04535	1.1
142.05695	0.9
143.03487	3.0
148.06270	1.1
149.04588	1.6
152.91849	0.8
161.02486	4.6
161.04561	6.6
179.04182	1.1
179.05611	8.1
203.03503	3.0
226.11977	1.9
253.05043	1.0
341.09033	73.4
342.05820	1.1
342.09512	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	341.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.5
69.20914	5.5
71.01379	1.9
89.02451	1.7
92.05074	5.3
96.96043	2.0
101.02435	1.4
109.02927	1.0
110.94124	3.8
112.93848	4.1
114.05616	8.2
117.03514	1.7
133.02950	1.1
134.03737	3.2
135.04536	96.0
136.04024	11.1
136.04926	2.8
137.02492	1.5
159.04453	1.0
166.28189	0.8
170.91214	1.1
178.02789	1.1
179.03516	100.0
180.03836	3.9
180.30592	0.8
204.92308	6.4
206.92006	5.5
209.44194	0.9
246.88171	1.7
253.05223	1.2
269.04343	1.0
297.04248	0.9
340.86346	1.3
341.08707	12.2
341.18225	2.1
342.06055	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	341.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66492	1.1
59.01376	6.9
71.01385	3.5
74.86015	1.3
78.95924	2.4
85.02970	2.2
89.02457	2.4
92.05081	5.5
93.07843	1.5
96.96016	4.7
101.02428	2.4
109.02941	2.9
110.94130	7.5
112.93829	7.7
113.02448	2.0
114.05626	24.2
117.03487	10.1
119.05050	2.5
122.66908	1.3
133.02942	2.0
134.03781	2.4
135.04543	100.0
136.04039	11.0
136.04910	2.6
137.02469	4.2
139.01520	2.5
140.07198	3.3
159.04568	3.1
161.02449	2.0
161.04593	1.5
165.10077	1.5
167.08278	3.9
170.91075	1.6
179.03523	99.1
180.03841	5.0
201.05746	1.9
204.92296	7.0
206.91994	8.7
226.12032	4.8
227.14107	2.6
246.88380	4.4
253.05087	6.0
255.02911	2.9
280.16019	1.4
282.60867	1.3
306.04187	2.9
340.86578	1.7
341.08408	16.6
341.18433	7.1
342.06216	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	341.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44020	1.0
59.01365	1.2
62.41053	1.0
68.99886	1.2
69.11008	1.8
69.11411	4.8
75.36592	0.9
77.03938	1.8
78.43766	1.2
79.01888	2.3
81.03484	1.8
88.18565	1.0
89.03983	2.6
93.03476	2.2
95.05004	1.0
105.03472	19.2
107.05019	1.6
109.01868	1.0
109.02944	2.2
117.03469	1.1
118.04259	1.7
119.05040	1.8
120.02254	0.9
121.02942	10.1
123.04531	3.0
133.02974	11.1
134.03760	3.1
137.02460	1.4
146.03778	2.1
147.00945	1.3
147.04509	4.1
148.01720	1.7
149.02451	28.6
151.03993	1.0
162.03284	6.9
162.14108	1.1
164.01166	1.9
167.08635	1.8
171.04564	2.0
173.06136	3.3
175.00336	1.4
176.01126	1.2
177.01942	100.0
178.02327	5.7
179.08630	1.5
181.06599	1.2
187.04108	1.3
190.02734	10.6
191.03448	8.7
191.08687	1.8
193.06625	1.6
193.10216	1.8
195.08131	5.8
201.01791	1.1
205.01363	7.8
206.07338	1.4
207.08014	2.1
209.06232	1.1
209.09682	3.4
211.07658	3.1
217.01221	1.5
218.02287	2.0
219.08176	8.4
220.26624	1.1
221.06119	1.4
221.09711	7.3
222.06871	3.4
223.07663	5.7
224.04797	1.2
225.05663	1.5
231.03055	2.9
235.07614	6.7
237.04010	2.1
237.09212	16.6
238.06393	1.4
238.09508	1.5
239.07141	6.6
247.07654	6.3
248.04939	1.1
249.05556	3.5
250.06345	2.1
251.07176	6.9
253.08705	13.7
254.09184	1.9
262.06357	1.9
263.07327	27.5
264.07666	3.6
265.08713	59.1
266.06381	1.1
266.09030	5.6
267.06625	32.8
268.07404	95.3
269.04919	2.0
269.07748	9.3
276.04340	1.0
279.10120	1.4
281.08209	19.3
282.08572	1.9
291.06656	57.2
292.07022	5.8
294.05328	1.6
297.11371	4.3
309.07712	73.1
310.08026	9.2
323.09241	12.9
324.09616	1.1
326.08112	1.4
341.10309	83.8
342.10547	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	341.109
Annotation	Trehalose
Peak:m/z	Relative Intensity
50.02002	0.4
51.65034	0.5
55.01884	1.0
55.14005	0.5
57.03455	1.9
57.45145	0.6
58.00582	1.3
59.01384	100.0
60.01725	1.0
61.98827	7.6
65.35950	0.4
71.01387	56.3
71.39431	0.7
72.00917	0.6
72.01728	1.2
72.99307	3.1
73.02956	2.3
75.00869	0.9
76.97714	0.6
78.95909	2.8
79.84312	0.5
82.04997	0.6
82.05514	0.5
83.01421	1.9
83.02589	0.6
85.02957	8.9
87.00890	5.8
89.02452	64.1
90.02816	1.4
91.00546	0.5
92.92805	4.5
95.01399	3.1
96.96976	3.4
97.02963	0.7
99.00927	0.9
101.02453	28.4
102.02847	0.7
108.90279	0.8
109.03008	0.7
111.00913	0.7
113.02464	20.8
114.02805	0.7
119.03517	25.4
119.94757	2.3
120.03874	0.6
125.02535	1.1
125.03587	0.6
127.05184	0.8
128.03622	1.5
131.03540	3.9
131.04459	0.6
133.02989	2.5
135.04593	2.2
143.03517	6.4
145.06253	2.1
146.96729	0.7
149.04585	2.4
150.01791	1.5
151.02617	0.6
161.02480	6.5
161.04552	8.5
161.05833	0.7
166.99776	0.6
167.04498	1.1
179.03690	2.0
179.05629	25.2
180.06009	0.8
181.06081	1.8
193.03493	3.1
203.03539	4.4
223.07111	0.7
250.08221	1.2
278.00684	0.5
294.07159	0.7
341.11111	23.9
342.07693	5.2
342.11395	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	341.1091
Annotation	Trehalose
Peak:m/z	Relative Intensity
57.03447	1.4
58.00589	1.2
59.01384	100.0
70.74356	1.4
71.01389	58.0
72.01727	0.8
72.54459	0.8
72.99337	1.1
73.02951	2.1
78.95919	2.9
83.01384	1.4
85.02963	8.3
87.00889	3.5
89.02451	73.6
95.01408	3.5
96.69563	1.0
101.02452	28.5
111.68365	0.8
113.02457	21.3
114.02760	1.1
119.03520	23.5
131.03523	3.6
143.03474	5.4
144.73885	0.8
147.34970	0.9
149.04514	2.5
157.08519	0.9
161.04565	10.3
179.05638	27.7
180.05969	1.3
188.77586	1.0
202.90552	0.9
226.42816	0.9
228.23607	0.9
341.10919	27.2
342.11334	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72971	1.0
55.01880	1.6
56.14315	1.0
57.03439	1.2
59.01384	100.0
60.01719	1.4
63.49817	0.9
64.29000	0.9
69.03467	1.7
71.01385	41.7
72.99310	0.9
73.02953	42.2
77.42333	0.8
83.01382	7.3
85.02953	11.9
85.44864	1.0
87.00888	1.6
89.02453	18.3
95.01399	4.0
98.21915	3.1
99.00853	1.1
101.02446	27.3
108.01648	1.0
113.02451	23.5
119.03640	6.0
119.05035	41.3
120.05355	2.3
124.24728	0.9
131.03535	2.1
135.04495	0.9
137.02422	1.2
137.06046	2.1
138.73198	0.9
143.03482	1.6
150.37106	1.2
156.32082	1.0
161.04561	4.4
179.05641	2.1
188.56656	0.9
241.90007	0.9
267.24820	0.9
281.10294	11.2
282.10846	1.4
299.11374	4.4
315.57666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
55.01884	2.4
59.01385	100.0
60.01732	1.1
65.00334	1.3
69.03460	2.3
69.34621	0.8
69.43187	3.6
71.01389	31.8
72.01723	1.0
72.99325	1.5
73.02954	96.0
74.03287	1.8
75.00871	0.9
75.65116	0.8
78.64988	0.8
78.95905	1.3
83.01393	17.7
85.02968	4.3
87.00883	1.0
89.02450	11.9
92.63943	0.8
93.03461	1.0
95.05041	0.7
96.96027	1.7
97.03004	0.9
99.00862	1.5
101.02453	47.9
107.05058	2.2
113.02459	13.3
116.07137	0.8
117.03467	2.0
118.65107	0.8
118.98028	0.9
119.03528	3.1
119.05045	20.3
120.05389	1.5
124.01685	1.6
125.02455	2.5
130.08788	1.3
131.03484	4.2
135.04573	2.6
137.06100	3.7
138.05638	3.9
141.05083	0.7
143.03508	3.0
149.04596	2.6
153.09378	0.9
155.03529	1.3
161.04568	7.3
161.05782	1.3
164.98236	0.9
179.05643	1.2
179.07130	10.0
206.00897	1.4
268.03763	1.0
269.04630	1.3
284.56879	0.7
299.11252	1.5
309.90790	0.8
341.12793	5.0
341.16122	1.7
342.05991	1.7
342.24268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1245
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
55.01878	1.6
57.03449	2.2
58.00609	1.9
58.35729	0.7
59.01387	100.0
60.01723	1.1
68.99834	1.7
71.01389	58.8
71.39782	0.9
72.99323	1.9
73.02964	3.3
76.20654	0.6
78.95926	1.3
81.03436	0.6
83.01427	2.0
85.02961	11.5
85.13416	0.6
87.00892	2.9
89.02456	63.8
90.02856	0.7
91.01916	1.0
95.01405	5.4
96.96037	1.2
97.02980	1.0
99.00908	1.4
99.04533	0.9
101.02460	26.3
108.02179	3.1
109.02975	1.8
110.82009	0.7
111.00904	0.7
113.02467	25.2
117.03518	2.5
118.98140	1.4
119.03516	24.7
119.05040	1.8
121.02991	1.1
122.03805	1.4
123.02797	0.7
125.02389	3.7
128.03571	3.2
131.03558	2.2
133.02977	1.6
133.06595	0.7
135.04575	2.9
135.31480	0.6
136.01747	0.9
137.02499	1.2
143.03517	3.7
143.05057	3.7
146.03754	4.1
149.02467	1.1
149.04634	2.8
150.03319	1.1
151.04001	0.7
151.07663	5.3
161.02484	0.9
161.04620	5.4
161.06139	21.5
161.07416	1.1
162.06435	0.9
163.07669	7.7
165.09286	3.0
171.07820	1.1
178.01587	0.7
179.05663	8.1
179.07129	37.7
180.07559	2.2
193.08727	3.8
206.01030	1.6
221.08220	10.0
222.08632	0.7
240.04361	1.0
253.05421	1.2
268.03870	2.9
269.04553	4.9
279.03055	0.8
297.07397	0.9
341.03241	2.2
341.12808	11.0
342.06400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1394
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
51.19707	0.9
55.05156	1.1
57.37684	1.0
59.01384	2.1
64.51151	1.0
70.10746	0.9
71.43137	1.0
116.92804	1.0
168.97948	1.1
171.10339	1.6
183.01227	1.8
197.02849	3.0
198.03545	2.5
199.00699	1.6
210.54173	1.0
239.03590	3.2
249.88148	1.0
253.05096	1.5
254.05894	2.5
255.06720	1.4
255.10266	1.4
267.03043	2.1
268.07465	6.0
269.07858	1.6
269.15234	1.1
281.04532	2.2
283.02744	1.3
283.09799	17.8
283.13751	17.0
284.14023	1.5
293.08194	3.5
296.06927	15.2
297.11075	1.3
308.10501	4.4
309.11334	1.5
310.08356	1.1
311.09293	100.0
312.09631	10.5
313.14532	2.1
323.13153	1.3
323.57272	1.0
325.10925	1.4
326.11621	86.5
327.12000	10.2
341.13977	91.8
341.17801	5.9
341.23227	4.6
342.14395	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1395
Annotation	triptobenzene K
Peak:m/z	Relative Intensity
65.03976	11.0
65.45781	5.1
69.34882	27.5
74.14784	5.7
76.61006	4.8
80.68427	5.6
81.03445	7.6
107.05067	6.9
113.19822	4.8
119.05046	9.6
132.91797	5.2
135.04520	6.6
174.04897	4.8
201.05733	6.1
203.10788	5.9
225.12778	9.4
227.14438	6.8
237.09148	13.2
237.12930	5.8
241.16003	81.8
242.16341	8.7
244.11017	16.7
253.12325	7.2
253.16107	7.2
255.13907	11.1
257.15463	9.7
265.08658	6.5
267.10245	15.2
269.12521	8.9
269.15469	80.1
270.12671	21.6
272.10675	5.9
279.10291	13.7
280.11023	9.9
281.11810	23.1
282.12585	41.0
283.02332	7.9
285.14978	61.7
297.14969	78.8
298.15378	8.4
311.12738	11.7
313.14389	26.0
314.11703	7.7
326.04062	7.7
341.14005	100.0
341.17737	4.5
342.13986	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	341.1396
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
61.98847	1.5
69.03484	2.0
69.87116	3.6
69.87468	1.2
91.17960	1.1
98.22618	1.6
119.05067	1.6
119.08660	2.3
137.09775	5.3
151.00351	1.2
153.01917	1.2
164.49162	1.2
169.90068	1.7
171.10318	15.2
176.47830	1.2
182.59258	1.3
183.01201	10.9
197.02831	1.9
201.11310	5.6
205.58714	1.2
239.03601	2.4
239.10841	1.3
252.87788	1.1
254.05595	1.4
255.06700	1.5
255.10301	1.5
268.07413	6.6
281.04755	2.3
283.02725	1.9
283.09790	12.9
284.09967	1.7
291.19577	1.3
293.08224	4.4
296.07001	12.3
297.07220	1.3
307.09760	3.2
308.10608	7.0
309.11185	3.0
309.20959	1.7
311.09283	83.8
312.09592	7.7
323.13058	2.9
326.11639	66.7
327.11926	6.3
341.13962	100.0
341.17969	20.3
341.23151	7.3
342.14459	9.5
342.18292	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03442	5.6
57.52994	1.4
59.01385	10.2
69.03458	7.5
69.27065	9.2
71.05028	51.9
81.03465	43.1
83.01393	1.7
83.05039	30.7
84.02179	1.6
84.10868	1.7
87.04517	2.2
93.03439	1.8
95.05036	19.6
97.02974	11.4
97.06586	6.9
98.03763	2.5
99.03919	3.2
99.04530	50.1
108.02174	2.6
109.02956	4.0
109.06611	13.3
110.03761	3.3
111.04549	10.3
117.03471	3.2
119.05045	3.3
121.06609	3.6
121.88428	1.7
123.04560	2.6
123.08138	5.0
125.09740	4.7
127.07637	3.5
127.11303	1.8
129.57146	1.9
133.02945	1.9
133.06618	3.6
135.08148	2.2
149.09727	2.3
151.07669	18.3
153.09239	5.6
154.89366	1.7
155.10765	2.3
163.00328	4.1
163.11249	2.4
165.09209	2.9
165.12857	3.2
171.10284	49.7
172.10640	2.0
183.01270	2.0
185.11726	2.1
189.12869	4.8
191.14395	9.5
193.12350	25.2
197.11876	1.9
199.13403	3.2
201.11293	2.6
205.16063	2.6
207.13919	2.8
209.11894	2.7
209.15466	1.7
211.13449	4.1
213.11311	3.2
217.12187	1.9
233.11726	4.7
235.13431	52.2
236.13707	3.5
243.17548	5.0
249.15041	3.4
251.12968	2.0
253.14474	100.0
254.14705	7.7
276.45007	2.0
283.02512	11.2
284.03152	2.3
287.13672	2.8
287.16605	37.8
288.16827	2.7
297.04095	1.8
305.17615	24.0
323.18591	8.3
326.04263	10.2
341.06537	5.5
341.14227	7.0
341.19690	8.3
341.23108	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	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.1
59.01383	3.5
61.91478	2.2
69.03467	3.2
69.31662	7.8
71.01394	6.5
71.05033	8.4
73.02960	3.2
78.95898	3.1
79.24812	2.2
80.02689	3.8
81.03477	8.5
83.01397	2.2
83.05041	14.6
84.02171	5.7
87.04518	4.1
93.03481	3.3
95.05033	13.6
97.02984	2.8
97.06599	6.7
98.03763	6.0
103.76257	2.0
107.05042	3.2
109.02950	11.5
109.06598	33.9
111.04526	6.4
113.06116	9.0
117.03458	2.2
119.05026	7.5
123.08202	6.9
125.06104	11.1
125.09734	20.3
127.07676	12.9
127.11301	10.6
133.02969	4.9
135.08179	4.8
137.06116	2.2
137.09776	3.6
151.07642	8.3
151.11349	3.5
153.09242	5.9
155.10805	6.3
163.11324	7.0
165.09239	5.7
165.12888	4.2
171.10287	18.4
173.06125	7.7
185.11842	17.9
189.05611	3.4
191.14485	3.7
197.11835	11.1
199.09790	7.6
201.11362	81.7
202.11752	4.6
209.11847	100.0
209.89113	2.3
210.12184	4.3
211.13425	2.1
213.11360	55.9
214.11673	3.5
221.11859	3.8
223.13568	4.0
227.12823	12.7
233.11911	4.1
235.13412	11.9
239.12869	3.2
247.13281	3.0
249.14948	4.5
251.12904	27.5
253.14594	2.8
265.14496	11.2
269.04764	2.7
287.16507	17.8
297.11411	2.7
305.17651	25.3
309.04144	2.4
323.18689	35.6
324.18973	2.9
341.06522	9.1
341.10532	4.2
341.14236	6.1
341.19730	72.0
342.20187	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76342	1.9
57.03458	4.2
59.01378	4.8
69.03461	3.7
69.47948	10.1
71.05024	33.9
81.03466	34.8
83.05029	25.6
87.04500	3.1
95.05016	15.9
97.02952	5.8
97.06557	5.9
98.03749	2.6
99.04532	42.6
109.03056	2.3
109.06587	11.3
110.03748	5.6
111.04517	10.2
117.03475	2.6
119.05016	4.4
121.06594	3.9
123.04530	2.4
123.08157	2.5
125.09723	2.8
137.02376	2.4
147.32729	2.1
151.07658	14.1
153.09238	2.9
155.10727	2.3
163.00302	3.5
171.10294	35.2
176.32732	2.1
189.12848	5.4
191.14374	5.9
193.12332	21.4
199.13408	3.3
207.13998	4.1
209.11896	2.7
211.13290	2.7
233.11832	3.9
235.13408	51.2
236.13741	4.8
241.20552	2.1
243.17407	4.8
249.14825	2.9
253.14476	100.0
254.14777	7.5
255.02927	3.3
283.02512	11.5
287.16510	24.4
288.16913	2.8
305.17496	13.1
306.17944	2.3
323.18759	6.5
326.04349	16.3
341.06769	11.1
341.10318	2.6
341.14233	4.9
341.19684	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56552	0.5
52.05355	0.6
69.03459	1.5
69.54442	2.1
74.91113	0.5
83.05029	0.8
84.02175	26.5
85.02497	0.7
90.32806	0.7
91.65992	0.7
97.02964	9.2
97.06618	1.0
97.62983	0.5
99.04529	4.8
101.80004	0.6
107.08158	0.5
119.08667	4.9
125.09760	1.3
127.11278	2.6
135.08142	1.5
137.09727	2.9
143.53670	0.6
171.10287	72.9
172.10628	3.0
187.80711	0.6
193.12323	0.9
197.02832	1.1
211.13318	0.6
225.14975	1.5
239.12837	0.8
243.16133	1.2
253.14429	1.3
276.74930	0.5
291.19659	2.7
341.18408	3.5
341.23346	100.0
342.23703	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01368	0.9
60.00024	0.4
61.91690	0.4
64.01894	0.3
67.39542	0.4
67.39964	0.3
69.03465	3.0
69.56863	0.9
69.57248	0.8
69.62580	0.4
81.03484	0.4
83.05038	1.7
84.02163	1.7
94.71823	0.4
95.05039	0.5
97.02959	1.1
97.06597	13.3
97.34503	0.4
97.35236	0.4
98.06937	0.3
99.04541	0.6
119.08674	0.6
121.10197	0.8
125.09711	1.4
137.09708	1.2
141.89542	0.4
149.13426	0.6
165.12871	1.3
171.10277	9.4
175.11284	1.0
177.12856	0.5
185.11841	0.7
193.12343	16.6
194.12668	1.1
197.15524	0.7
203.10722	0.4
211.13437	3.7
217.16023	0.4
221.11839	1.2
225.14981	24.6
226.15353	1.3
243.16011	11.3
244.16484	0.5
253.14450	1.3
291.19659	1.7
305.21304	0.7
323.22476	0.5
341.23343	100.0
342.23648	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	342.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03706	1.2
52.24856	1.2
52.47489	1.2
52.86607	1.2
65.00309	1.1
69.52023	5.4
98.02475	1.5
103.72390	1.4
106.83925	1.3
110.02495	5.5
122.02454	1.8
123.03293	7.0
134.02475	4.2
135.03285	6.5
136.00424	3.0
138.01944	4.5
142.77724	1.4
146.26030	1.4
151.02791	6.8
155.02182	1.7
166.01460	2.9
167.76282	1.3
171.71866	1.5
192.03008	3.3
193.91524	1.4
224.07095	2.0
226.08696	2.3
228.06602	1.8
242.08235	51.4
243.08574	3.8
270.07739	100.0
271.08118	10.6
342.09998	1.6
342.37375	1.3
343.07858	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	342.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08071	0.8
55.31366	1.1
55.99408	0.8
59.01383	5.3
61.00428	2.5
62.83358	0.9
65.00335	2.2
65.01450	1.3
67.01878	1.3
67.03016	2.0
71.01382	1.6
74.02463	1.2
81.03332	22.2
82.01732	1.6
83.01461	0.9
84.04539	1.0
86.00002	1.1
89.02460	1.2
92.02561	1.4
93.03479	1.6
95.02492	0.9
101.02441	1.1
107.01420	1.1
108.04525	0.9
109.02948	4.1
109.38354	0.8
110.02517	1.1
111.00906	3.1
112.98595	1.2
113.02499	0.9
114.05628	2.1
117.03477	25.5
117.04293	1.6
118.03841	1.6
118.40453	0.8
119.05029	1.6
134.02536	1.2
134.03792	1.0
135.00911	2.8
135.04539	4.7
136.98866	1.3
137.02457	8.7
138.02069	1.0
142.04137	2.0
143.05061	1.4
149.02354	1.1
151.00627	4.2
151.04027	1.0
157.11090	0.9
158.03714	1.2
159.04491	3.3
163.00362	1.1
166.89203	0.9
169.05235	2.2
177.01961	1.3
178.01736	5.8
178.99910	1.0
180.03023	6.1
181.01488	1.3
183.04552	2.7
185.02493	1.1
187.04070	1.5
197.06033	1.5
201.05644	5.9
205.02888	100.0
206.01167	1.5
206.03221	5.4
209.06046	1.3
222.04222	1.5
223.03957	3.0
225.05550	2.8
227.03517	4.0
227.07121	1.4
229.05063	1.8
244.06174	1.1
252.02936	30.8
253.05183	15.5
254.04807	3.7
255.02979	5.1
269.04544	8.1
270.04056	5.9
270.07755	3.0
271.06171	5.6
280.06143	9.9
281.04471	1.9
296.05600	2.8
297.03912	1.9
314.06656	1.4
324.05179	5.7
336.92584	0.9
342.06241	26.0
343.06537	2.0
343.10153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36778	1.5
59.01392	8.7
59.33276	1.4
65.00332	6.6
67.01883	3.0
68.99820	1.8
69.22687	3.4
69.23076	4.3
71.01385	4.5
71.09780	1.5
73.02955	2.5
77.18224	1.6
79.01909	2.4
79.95770	1.7
81.03454	2.0
82.03040	1.5
83.01387	1.9
84.04544	3.6
85.73698	1.6
86.02520	1.7
91.01927	3.2
93.03471	6.4
95.01398	4.4
101.02416	2.6
107.01401	6.8
107.05059	2.6
108.02226	2.1
109.02948	11.9
110.02509	8.7
110.03213	1.7
111.00867	9.9
113.02450	2.8
117.03474	82.5
118.02999	3.8
118.03799	2.2
118.98074	1.6
119.05038	77.2
120.05406	4.5
121.02935	3.3
122.02473	4.9
123.00932	3.1
123.04532	2.2
133.02983	3.6
134.02510	6.0
135.00893	11.4
135.04538	42.9
136.04893	3.2
136.98795	2.3
137.02466	21.6
138.01965	9.2
138.02809	1.6
143.05048	3.0
143.67937	1.7
145.02934	2.1
147.04451	2.0
149.02460	3.5
150.01962	23.0
151.00366	6.9
151.04042	3.1
152.03575	3.9
153.01981	2.3
158.03749	2.8
159.04530	12.9
160.03970	4.4
161.02533	2.2
161.83862	1.9
162.02007	5.9
162.99101	1.7
163.00426	9.9
163.99992	1.9
167.03539	5.9
176.03583	3.0
177.01974	3.5
178.01477	44.0
178.99838	5.4
179.01831	1.9
179.03448	2.5
180.03006	18.5
181.01462	5.7
183.04538	11.4
185.02505	2.5
185.06198	2.6
187.04004	4.8
190.06087	1.8
192.10323	1.9
197.06129	7.3
199.04123	2.1
201.05597	21.4
203.99184	1.6
204.02977	2.4
205.01476	5.6
206.00964	25.1
207.01390	2.1
209.06076	3.3
211.04018	2.7
222.04150	2.0
225.05594	8.4
227.03517	12.8
227.07159	3.9
228.03867	2.0
229.05110	8.8
237.05602	7.1
239.03365	2.1
239.06966	2.0
243.06557	3.7
244.06085	2.2
253.05077	61.6
254.04716	10.5
255.03040	17.1
255.06744	3.5
256.03381	1.6
268.03629	3.8
269.04568	22.9
270.07764	6.5
271.06116	17.8
279.02844	3.5
280.06131	28.2
281.04361	6.4
296.05692	7.0
297.04031	5.9
298.07254	16.8
299.09558	2.6
314.06754	6.0
315.70996	1.5
324.05154	14.5
325.03601	2.6
327.08704	5.1
342.06195	100.0
343.10175	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	342.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62656	3.3
56.50554	2.9
59.01374	8.8
65.00343	6.8
67.01899	8.6
67.82166	3.4
68.99821	3.2
69.00589	3.0
69.64675	3.2
69.65013	12.6
72.99364	3.0
74.53519	2.8
78.95912	3.9
86.55070	3.2
91.01896	5.6
93.03492	6.0
107.01431	5.6
108.04605	3.9
109.02956	23.4
110.44483	3.1
111.00889	8.6
112.00404	3.0
114.05630	7.5
117.03475	73.6
130.69716	3.0
133.02979	4.1
134.03326	3.8
135.00911	13.5
135.04572	4.7
136.98833	5.5
137.02461	31.6
143.94885	4.1
149.02493	3.6
151.00427	3.4
158.03654	3.4
159.04526	11.7
161.02480	23.4
162.02812	11.6
163.00337	4.9
177.01999	4.2
179.03479	7.7
180.02979	27.6
181.01457	6.0
183.04532	11.0
185.06129	3.9
187.04002	7.0
197.06206	6.1
201.05583	24.1
201.52742	3.0
202.05998	4.5
209.06151	4.4
211.04036	3.1
222.04129	6.6
225.05577	9.4
227.03543	19.2
227.07280	5.5
227.14183	3.6
228.06807	3.8
229.05174	11.6
235.03839	3.8
237.05507	6.1
239.03531	3.2
244.06293	3.5
253.05075	78.3
254.04878	11.0
255.02963	26.6
269.04584	23.3
270.07831	9.8
271.06155	25.6
272.06226	3.4
279.03009	4.0
280.06232	7.3
281.04456	11.8
296.05698	11.0
297.04001	6.5
314.06866	6.3
324.05051	17.3
325.03940	3.2
326.19388	3.1
336.65036	3.2
342.06155	100.0
343.06448	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	342.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11656	1.0
53.46005	0.8
57.14505	0.8
58.02988	2.2
65.00333	2.3
68.99823	3.9
69.26547	4.4
81.03462	17.9
82.02998	5.1
83.35660	0.8
88.04055	1.4
95.01418	2.6
98.02482	25.0
99.92583	1.1
103.05541	1.0
105.03434	1.0
108.04598	2.7
109.02946	1.0
110.00106	2.3
117.03474	1.9
117.07116	1.7
119.68408	0.9
123.04546	4.2
124.04057	20.7
126.02004	3.3
126.05594	1.6
130.04243	5.5
135.00943	0.9
135.03358	1.1
135.04588	1.2
136.00479	1.0
136.98836	2.7
137.02449	1.9
138.01933	0.9
140.51698	0.8
143.05081	3.6
145.06602	100.0
146.06032	2.1
146.07005	4.0
150.01932	1.2
152.03606	2.8
163.00412	2.2
165.00739	1.4
169.06654	1.9
170.04593	6.0
171.04530	5.8
172.05293	6.2
173.06122	3.8
177.02017	1.1
180.03079	1.6
187.07661	19.4
187.09180	1.4
188.07034	4.7
189.74876	0.9
209.09737	4.5
211.07666	4.8
225.05676	1.8
226.08752	0.9
227.10864	2.7
237.09164	5.4
239.03624	1.4
239.07191	1.4
241.05202	2.1
242.08369	2.5
243.06697	7.5
243.08746	2.2
244.09917	2.1
244.52942	1.0
252.10408	3.2
265.05215	1.0
267.03378	1.2
267.06769	4.8
269.04468	5.2
269.07227	1.2
270.05334	1.8
270.08026	5.3
270.11365	68.6
271.08276	4.9
271.11539	5.8
280.09814	11.9
281.10367	1.8
282.07944	2.6
298.10876	1.9
299.07993	1.4
314.09995	0.9
324.08722	4.7
341.97925	4.6
342.09952	30.9
342.23969	1.3
343.08600	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	342.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36804	0.9
56.60741	0.9
58.02980	4.2
65.00329	4.7
67.01886	2.6
68.99822	2.0
70.02977	1.2
73.96246	0.8
74.16603	0.9
81.03464	7.2
82.02985	3.1
88.13067	0.8
91.01884	0.9
95.05099	1.0
98.02490	6.0
98.21880	3.3
105.03483	8.7
108.04564	1.4
109.02953	1.7
110.00138	0.9
110.02497	2.9
121.06645	1.1
123.04536	1.7
124.04023	3.6
125.02469	1.1
126.01988	6.8
132.04623	1.1
133.02946	3.6
135.00876	2.2
136.98827	7.1
143.05031	1.1
145.06613	17.9
146.06961	1.0
148.04041	2.3
149.02437	1.3
152.03551	3.2
152.57292	0.8
154.01469	1.7
158.75098	1.0
167.03505	1.3
171.04520	3.5
172.05371	1.8
173.06084	2.6
175.02773	1.2
176.03548	100.0
177.01932	3.8
177.03813	3.1
178.01527	1.0
187.07697	6.3
192.06741	0.9
194.04517	2.3
199.07574	0.8
209.09708	1.2
211.07640	2.0
215.07118	3.4
218.04567	1.8
220.02492	3.6
237.09218	3.5
238.09378	1.1
239.07158	4.9
240.07248	0.9
241.05069	11.0
243.06616	1.0
245.12822	1.0
252.10306	1.7
253.08682	3.0
262.08664	3.2
267.06555	1.4
270.05164	1.7
270.11383	12.4
271.11520	1.0
272.09204	1.4
280.09833	6.8
281.08084	1.6
283.05530	1.0
296.09238	4.0
298.10898	2.2
313.00244	1.1
324.08817	16.9
336.11227	0.9
342.06302	1.1
342.10165	11.7
343.08090	1.7
359.16660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70642	0.7
55.52803	0.7
58.02970	3.2
65.00331	7.7
65.99851	5.8
67.01877	1.7
68.99820	3.1
69.09734	4.8
74.01363	0.7
79.95741	1.7
81.03470	9.4
82.02997	4.5
83.01401	1.6
83.69959	0.9
85.02905	0.7
91.01905	1.1
94.69558	0.7
95.01406	1.1
95.05005	1.1
95.22113	0.7
96.00903	1.9
96.95983	0.8
98.02488	5.0
98.11286	0.7
105.03489	7.2
108.00925	1.2
108.04549	1.4
109.01748	4.6
109.02964	1.6
110.00096	1.2
110.02456	4.2
119.05051	2.0
120.00916	3.6
121.01705	4.3
121.02991	1.7
121.06628	1.0
122.02478	1.2
123.04614	1.9
124.00428	0.8
124.04092	4.8
126.01987	5.8
130.04250	1.0
132.04588	1.8
133.02960	3.2
135.00905	1.8
136.00426	7.3
136.98819	8.6
137.01248	1.8
137.02312	0.7
137.99672	1.0
145.06610	17.0
146.06075	1.3
147.00909	2.4
148.04018	2.3
149.02480	2.9
149.06113	0.9
150.01968	7.2
152.03572	3.6
154.01407	1.4
163.99934	5.4
164.98347	1.1
165.00688	18.0
170.04636	1.1
171.04579	5.2
172.05292	1.7
172.54161	0.7
173.06075	1.2
174.05630	0.8
175.02739	1.1
176.00159	1.9
176.03548	100.0
177.01952	2.5
177.03845	4.6
178.01414	4.3
178.44647	0.8
185.06062	1.0
187.07637	7.3
189.78836	1.0
192.03107	1.2
194.04614	1.9
199.04091	1.3
202.99965	1.1
209.09747	2.0
211.07648	2.4
212.07230	1.8
213.05605	1.9
215.07201	2.1
218.04610	1.3
219.10294	1.1
220.02533	3.4
224.06992	1.0
233.60893	1.2
237.09251	2.4
239.07141	3.6
240.06688	3.1
241.05067	12.3
241.07320	1.1
243.06766	1.0
253.08766	3.0
254.08179	6.2
255.06772	2.1
262.08737	2.8
268.06210	13.9
269.04605	1.1
269.06943	8.5
270.11374	10.8
272.09259	1.5
279.06595	1.2
280.06201	4.7
280.09436	5.0
282.07770	42.4
283.08002	3.8
296.09344	3.2
298.10785	1.8
306.07916	1.0
310.07193	8.5
312.99930	6.4
324.08792	13.2
326.06689	1.5
327.01321	1.2
328.02258	2.3
342.09836	47.2
343.04669	7.7
343.09009	1.3
343.12457	1.3
343.15976	1.2
345.01526	0.8
352.89026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81335	4.7
61.98821	14.8
64.13596	6.5
65.00325	75.5
71.02604	5.3
74.85848	4.5
79.90675	5.0
92.29823	6.5
135.04552	7.8
136.98868	6.7
137.02466	6.5
145.06613	7.6
161.02425	5.5
165.50620	5.5
213.05516	12.7
253.12698	6.9
257.04520	100.0
258.04987	11.6
267.03015	9.7
342.06046	7.7
342.20364	22.1
343.15283	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	342.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88451	2.8
53.50914	3.1
57.03440	14.1
58.02983	88.8
59.01384	15.0
59.69070	3.1
62.42000	2.7
65.00317	3.6
67.05541	8.6
70.02959	4.6
70.06606	8.9
70.56332	5.9
70.56672	3.2
71.01382	20.6
71.05050	3.7
82.06635	19.8
85.02974	4.0
87.04530	21.1
88.04047	56.7
93.03477	3.7
94.06628	5.3
96.08224	5.2
99.05647	11.2
101.02445	4.2
101.06094	6.2
102.05635	17.0
108.08199	6.6
109.02982	3.5
110.06145	17.3
110.06797	3.4
111.08175	5.0
115.08793	30.6
119.05076	3.7
129.06737	7.2
135.04457	4.2
137.02487	9.4
137.10825	5.0
138.02849	3.3
141.10298	5.7
151.00293	3.8
153.05588	4.0
164.98232	3.9
180.03044	3.8
184.70596	3.3
194.13052	19.7
195.08282	3.3
197.04462	3.8
212.14153	4.8
221.28070	3.2
236.17667	8.7
254.18750	100.0
255.19000	6.2
262.22729	5.1
295.12070	3.9
306.22110	3.7
312.99963	21.6
324.22989	14.9
328.02090	7.1
342.06195	5.4
342.12698	5.1
342.24002	90.5
342.97586	3.8
343.04654	28.4
343.10144	7.6
343.24191	9.3
355.62885	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	342.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.8
57.03466	14.6
58.02684	5.3
58.02979	100.0
59.01384	27.2
62.56419	2.5
66.03495	5.7
67.05558	3.8
68.05064	4.2
69.03466	5.5
69.29366	2.4
69.52882	6.7
69.53261	5.5
70.02630	2.6
70.02999	6.1
70.06608	7.5
71.01373	24.1
71.05035	3.8
72.99309	3.9
73.02948	9.3
76.84211	2.3
77.95438	2.8
79.95747	5.8
80.05061	2.6
80.96529	5.0
81.03474	4.5
82.02978	4.0
82.06623	18.3
83.05032	7.4
84.04543	3.9
85.02956	8.5
87.00893	3.0
87.04527	31.0
88.04049	74.8
89.02455	6.3
93.03457	6.2
94.02996	5.4
95.01405	5.0
95.05013	6.0
96.04562	5.5
96.08210	8.5
96.96041	3.6
97.02950	5.0
98.21914	3.2
99.00873	3.7
99.04504	3.7
99.05663	14.6
101.02483	5.1
101.06110	8.2
102.05627	6.7
107.05072	6.0
108.08199	4.2
109.02983	6.9
109.06588	4.4
110.06111	15.1
111.00919	2.8
111.04552	3.5
111.08177	4.8
112.67416	3.4
115.08777	36.0
119.05031	9.9
121.02954	5.0
122.03755	7.4
123.00939	4.8
123.04541	5.2
125.02475	4.9
129.05588	3.4
129.06665	7.8
133.03033	2.6
135.04559	19.6
136.04863	6.6
137.02429	7.4
137.06108	12.4
137.10895	2.8
138.05635	4.1
139.04010	14.9
139.12415	3.0
141.10381	3.6
145.06586	5.5
149.06088	5.4
149.09743	3.8
151.03990	3.4
161.02458	4.7
162.02844	3.5
165.13969	3.4
175.03987	2.9
177.05586	2.8
177.13963	6.1
180.03070	2.4
180.03923	3.3
181.05055	11.0
181.08730	3.7
182.02190	3.0
192.11307	6.2
193.12256	3.7
194.12964	19.4
196.02443	4.0
211.07719	6.7
211.11389	3.9
236.17686	16.1
237.11398	4.3
252.05991	3.3
254.18767	99.4
255.02980	3.7
255.06538	3.1
255.19037	6.7
266.18719	3.2
281.04340	3.4
282.07095	4.7
298.13837	3.4
299.05753	4.0
306.21957	5.4
324.22833	14.6
342.02124	3.8
342.05728	4.0
342.09222	9.9
342.12552	11.6
342.23984	73.4
343.00958	3.9
343.04730	9.4
343.10797	16.6
343.13995	11.4
343.24057	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	343.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14195	0.2
59.01384	82.8
60.01721	0.6
69.85859	0.6
70.34127	0.2
113.04652	0.3
115.02509	0.3
140.42679	0.2
157.03580	7.6
158.03812	0.4
158.90744	0.2
158.98874	0.2
159.01500	1.7
201.02565	100.0
202.02710	9.3
343.03717	2.7
344.03830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08392	0.4
58.94547	0.5
59.01384	94.6
60.01714	1.1
69.87383	0.9
69.87775	0.8
71.01379	0.9
89.02450	1.0
94.98981	0.4
115.02460	0.4
119.03468	0.5
123.00870	0.8
145.09810	0.4
149.36298	0.4
157.02368	0.7
157.03572	9.5
158.03726	0.7
159.01503	1.9
183.01482	2.4
201.02563	100.0
202.02757	9.6
281.29181	0.5
283.01541	0.7
343.03662	2.0
343.11111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
57.03454	10.7
58.02982	15.3
59.01384	53.5
61.98819	2.7
66.20548	2.1
68.99819	3.5
69.22289	4.2
69.22684	5.4
71.01023	3.7
71.01387	47.0
72.99311	17.8
73.02946	5.4
75.00880	10.4
83.01372	3.2
83.05024	2.2
85.02465	4.0
85.02956	61.3
85.03476	2.9
87.00878	11.4
88.04050	29.0
89.02453	16.4
89.04411	2.5
91.01903	15.2
95.01390	18.5
96.96014	4.1
99.00879	17.7
101.02440	7.7
103.00383	9.6
108.02148	11.3
109.02946	2.6
111.00868	3.2
113.02461	94.1
114.02811	2.5
115.00381	5.2
117.01922	3.9
117.39220	1.9
119.05027	12.3
120.99614	2.4
122.03727	5.4
123.00887	20.2
123.04547	49.7
124.01624	3.9
125.02409	2.1
129.01947	2.9
131.03520	2.5
133.01413	3.3
137.06049	4.7
138.03276	12.4
139.04015	5.2
149.06023	2.2
152.01178	5.9
163.04015	11.9
167.03505	100.0
168.03844	5.9
175.02505	18.9
181.05045	5.8
193.03551	18.8
201.02458	2.8
226.35876	2.2
306.99002	4.0
342.23999	20.2
343.10565	17.9
343.24176	12.3
354.74011	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	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45813	2.4
54.57178	2.1
57.41333	2.2
59.01359	3.9
63.02403	4.1
65.00330	38.1
67.01895	3.6
68.99815	5.3
71.01376	4.5
73.02946	6.7
81.03454	7.0
82.00606	7.4
82.02947	2.5
83.01401	5.5
84.86492	2.1
88.04041	3.0
91.01928	2.8
92.99808	4.5
93.03455	4.7
95.01392	13.5
96.99317	6.6
98.22683	5.5
99.00890	5.0
101.02439	7.9
105.03477	4.6
107.01390	3.6
107.05042	3.8
108.99289	2.5
109.02946	7.4
109.99395	3.6
110.00109	59.3
110.02469	3.4
111.00900	7.3
113.02493	2.2
117.03509	3.0
119.01402	7.2
120.99348	3.9
121.02926	3.0
123.00918	5.4
123.04521	8.8
124.01654	12.2
125.02431	2.8
126.02031	2.4
129.02000	3.2
133.02977	6.4
135.00923	22.8
135.04588	3.4
136.98824	22.5
137.02473	5.6
137.99619	17.9
145.06651	4.0
147.04515	2.9
149.02483	5.1
149.06087	2.8
151.03976	5.8
152.01169	7.9
153.01938	7.3
156.00648	2.5
157.06563	3.7
161.02428	8.5
163.00395	25.2
164.98317	42.8
165.05565	6.4
165.06880	2.2
165.99094	41.2
167.03458	4.5
169.06593	3.5
171.04538	6.5
173.06035	9.0
176.01149	6.9
176.03470	4.7
177.01941	9.4
177.03822	3.0
177.99074	7.1
178.99794	3.4
179.03444	2.7
181.06540	4.1
185.06151	2.5
187.07614	3.9
188.04779	10.2
189.05615	3.0
193.01450	4.9
193.05002	6.4
195.08150	6.1
197.06105	7.7
198.84962	2.2
199.03951	3.7
201.05431	2.5
209.06288	3.5
211.07629	5.9
213.05545	4.7
221.00983	4.5
223.07671	7.9
225.05600	18.9
228.70444	3.0
229.08760	3.0
237.05803	4.1
237.09233	9.8
239.07152	23.8
241.05096	13.6
242.05502	5.5
243.06642	30.2
244.07045	3.1
253.08705	6.5
254.08563	2.9
267.06665	30.5
268.06604	3.0
269.04541	81.4
270.05301	51.3
271.05823	4.4
272.09256	5.5
281.08121	24.4
299.09250	7.3
312.99762	7.6
325.06921	16.7
343.04510	10.9
343.08200	100.0
343.14804	4.5
344.08344	10.1
345.17224	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	343.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78219	4.5
53.43942	4.5
65.00334	19.0
67.01883	8.8
70.22982	12.5
74.76942	4.6
79.01913	6.2
81.03458	9.2
82.00654	5.2
83.01385	9.1
93.03493	7.1
95.01399	60.0
97.02960	12.2
98.00107	9.0
102.67361	4.7
107.01379	11.3
108.02158	13.1
109.02975	17.0
110.00114	7.3
111.04480	5.0
115.05539	7.7
117.03453	42.1
119.05086	12.1
121.02968	15.4
121.06599	15.9
123.00907	34.4
123.04547	15.5
124.01682	10.8
131.05037	100.0
132.02225	4.8
133.06577	7.7
135.00903	13.9
136.01669	12.4
139.04028	15.6
141.07098	14.6
143.05023	5.4
145.06575	12.8
147.04559	29.7
147.05621	5.2
148.01663	6.7
149.02452	10.3
151.00345	24.4
152.01202	9.9
153.01971	40.9
155.03513	16.3
157.06593	14.4
159.04640	10.7
159.98160	5.7
161.06120	47.4
163.00371	27.7
164.01169	6.0
166.99828	5.5
167.03485	30.9
167.08696	8.6
169.06584	17.9
170.26323	5.3
171.04512	5.7
176.01196	9.7
178.99918	24.5
181.01443	11.1
181.05032	13.9
183.02942	7.6
183.08151	21.8
185.06096	10.2
187.04053	37.7
192.00676	22.4
193.06602	16.3
193.89848	5.7
195.02983	20.8
195.08179	30.3
197.06064	33.1
202.91284	5.0
206.99379	14.7
211.07671	28.3
221.06038	17.1
223.02379	6.0
223.07652	33.3
225.05617	8.5
239.07175	92.5
243.08650	9.4
255.06708	6.5
255.10356	7.1
257.08118	23.3
267.06644	97.5
268.07022	10.5
269.04602	14.1
270.05209	10.2
271.08096	18.9
271.10507	6.2
281.08209	15.4
283.06174	18.8
299.09265	64.0
311.05792	8.5
315.08810	28.1
343.08246	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73543	2.5
63.02423	4.4
65.00336	31.8
66.06970	3.0
67.24450	3.1
68.99812	2.6
69.43080	14.3
69.75255	2.8
71.01360	2.8
71.65343	2.7
72.21584	3.1
73.02964	5.8
75.02399	3.8
82.00615	10.9
91.01922	6.6
92.99828	5.0
95.01392	14.9
96.99313	6.3
99.00880	5.6
110.00106	57.3
111.00909	9.2
119.01416	7.9
119.25726	3.0
120.99305	6.0
123.00938	6.0
124.01690	17.4
135.00891	24.3
136.98808	19.1
137.99608	17.7
147.00841	17.1
148.01665	5.8
151.04062	6.2
152.01172	9.3
153.01990	4.3
157.02864	3.1
163.00375	26.2
164.98312	59.5
165.00620	6.4
165.99110	44.3
173.06120	10.0
176.01164	8.1
176.03433	3.2
177.01927	3.8
177.99036	8.4
178.99808	3.4
193.01370	6.2
211.07671	4.2
213.01947	5.0
221.00842	6.9
223.07660	5.8
225.05547	14.2
229.01405	4.7
239.07150	18.4
241.01477	7.9
241.05122	5.3
243.06616	39.9
267.06607	33.0
268.06763	4.2
269.04541	91.4
270.05249	58.7
271.05585	4.8
283.08121	16.6
285.00482	8.9
293.04565	5.6
299.01923	9.5
299.09283	9.4
312.99960	71.4
325.06992	20.6
327.01462	11.3
328.02213	32.3
343.04520	82.6
343.08313	100.0
343.15439	6.2
344.04898	14.3
344.08691	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	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59301	0.2
59.01369	0.4
59.79712	0.2
71.43002	0.3
80.99817	0.3
92.02692	0.5
108.02186	0.6
113.95367	0.3
117.03481	2.7
119.05042	0.4
121.31760	0.3
124.98814	0.5
127.05486	0.3
128.47749	0.2
130.04190	0.2
135.04565	0.3
136.98785	0.4
141.03412	0.3
141.07129	0.5
142.04256	2.2
143.05022	0.5
145.02985	0.6
146.03664	0.3
149.99629	0.3
151.29951	0.3
152.98360	0.4
154.04266	0.6
155.05034	0.6
156.05818	1.5
157.06602	8.8
158.03725	0.7
158.06886	0.3
167.05096	0.5
169.03008	0.5
170.03754	10.1
171.04222	0.8
173.06084	17.2
174.06442	1.0
177.99049	1.2
180.97832	1.1
182.03734	0.3
184.05309	1.7
185.02510	0.7
185.06087	6.5
186.01579	0.3
186.03241	5.9
186.06448	0.3
187.03883	0.4
193.01431	1.6
194.99315	0.3
197.02423	1.2
198.03233	20.8
199.03737	1.3
201.01990	0.3
201.05579	1.3
203.07159	6.4
210.03249	0.6
213.02165	1.2
213.05591	4.5
214.02728	7.3
215.03119	0.4
224.01030	0.4
225.01900	0.6
225.05550	0.4
226.02728	17.5
227.03053	0.8
229.05064	4.3
231.06583	1.9
241.05074	24.4
242.02248	2.1
242.05273	1.6
247.06114	0.4
254.02197	3.7
257.04547	1.0
267.03052	0.3
268.03714	0.3
269.04565	8.8
270.01764	4.4
270.04929	0.8
284.06967	0.4
285.04004	2.1
298.01205	10.8
299.01553	1.2
310.05063	0.3
313.03558	48.2
314.03906	4.6
328.05893	100.0
329.06253	8.8
343.08249	16.4
343.15652	1.4
343.21463	1.3
344.08658	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	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85463	0.4
59.01365	0.7
65.00330	1.6
69.03464	0.4
71.05912	0.5
83.05059	0.5
91.01929	0.5
99.08159	1.0
105.55389	0.4
110.00122	0.9
117.03458	0.5
119.05043	0.8
125.09664	0.5
132.02164	5.2
133.02951	1.2
135.00870	2.8
136.98799	3.9
141.24936	0.4
147.04543	4.9
155.10770	0.6
158.03741	0.5
163.00374	6.1
164.98312	3.0
165.99088	1.5
170.03717	1.2
171.10239	1.7
182.03741	1.4
185.02368	0.7
186.03242	0.8
193.12363	1.2
197.02446	0.5
198.03230	4.6
199.03825	0.4
200.01247	0.5
201.02028	0.7
201.11296	0.9
211.03960	0.8
213.01903	1.2
213.05600	0.9
214.02728	4.3
221.96291	0.4
225.14986	1.5
226.02750	4.0
227.03365	0.8
229.01588	1.0
239.03497	0.4
241.01477	2.1
242.02242	6.8
243.02592	0.6
243.06601	0.5
243.15993	0.5
253.01634	0.5
254.02194	2.0
255.03008	1.5
256.03796	1.7
257.00949	2.8
257.04395	0.9
267.02972	2.0
269.00995	4.4
269.03967	0.7
270.01718	30.0
271.01974	2.0
276.48120	0.5
282.01746	4.0
283.02505	1.8
284.03296	3.5
285.00760	0.7
285.04062	12.5
286.04321	0.9
295.02560	1.0
298.01218	46.3
299.01608	3.9
299.05371	0.7
312.02692	2.7
313.03568	100.0
314.00482	0.8
314.03912	8.3
315.05240	0.7
327.05109	3.6
328.05899	99.6
329.06244	9.4
343.05093	3.3
343.08240	80.2
343.24890	7.9
344.04742	0.6
344.08649	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	343.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01371	1.3
60.33907	0.7
69.31449	3.5
106.49063	0.8
117.03474	10.9
122.04558	0.7
125.09726	2.0
135.04489	0.6
137.99037	0.8
146.83861	0.7
147.00931	1.0
149.99652	1.1
158.03735	1.6
170.03732	1.5
171.10252	2.2
172.10570	1.0
175.00415	2.2
177.99110	8.8
179.96819	0.7
182.03729	0.7
185.02498	1.2
186.03218	14.1
186.04765	0.9
191.07100	1.1
193.01445	15.6
194.99414	1.6
198.03232	2.1
199.09705	0.7
201.11359	2.6
213.02019	1.2
214.02780	5.4
226.02785	1.8
228.08044	0.9
241.01488	1.0
241.05103	2.3
242.02325	6.5
243.06639	1.0
255.06639	2.5
256.07343	3.6
267.03003	3.7
267.06769	1.6
269.01572	1.2
269.04553	9.0
270.01736	19.5
271.02072	1.6
271.06125	0.9
271.09763	1.8
271.16840	0.9
283.06238	1.6
284.03610	1.5
284.06900	7.1
285.04132	5.9
285.07208	1.3
286.04379	0.9
286.08441	1.2
295.02527	5.8
295.05838	1.2
296.02893	0.9
298.01218	50.7
299.01639	3.2
299.09244	7.2
300.10001	0.8
311.12964	1.7
312.02853	1.3
313.03574	100.0
313.14447	9.8
314.03909	9.2
325.10809	2.4
325.14395	1.0
327.05176	1.3
328.05917	60.6
328.09259	2.2
329.06247	6.3
342.18182	1.4
342.23721	2.9
343.08221	67.8
343.11920	27.1
343.15555	19.4
343.24631	2.7
344.08557	5.9
344.12350	2.2
344.15845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0979
Annotation	Sanaganone
Peak:m/z	Relative Intensity
57.62585	0.5
59.01369	0.6
65.00335	5.5
68.99820	15.6
71.41694	0.8
93.58939	0.4
101.03972	4.4
113.80599	0.4
115.05538	1.9
117.03482	13.1
127.05542	1.4
136.98802	1.3
139.05524	1.3
141.03519	1.0
141.07161	2.6
143.05013	3.1
147.04582	3.0
167.05043	13.2
168.05620	1.1
169.06587	1.8
171.04530	67.8
172.04886	4.6
173.06049	0.6
183.04533	1.1
184.05251	0.6
185.06085	2.3
195.04512	0.7
211.04013	21.0
212.04420	1.1
213.30086	0.5
224.04747	5.8
225.05107	0.7
237.05630	1.3
239.03513	0.7
239.94960	0.4
240.66620	0.5
241.05058	1.0
241.10313	0.8
243.11877	0.9
252.04219	0.8
267.03009	1.7
269.09726	4.4
269.55338	0.6
271.11295	4.7
285.03934	0.6
287.10629	0.7
297.09320	2.8
299.10681	1.2
301.08667	1.7
315.10272	33.9
316.10620	3.2
343.09763	100.0
344.05862	0.9
344.10107	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.1
59.01389	7.0
61.98825	1.8
69.89330	1.2
71.01379	2.2
73.02953	0.7
83.01380	0.6
85.02911	0.6
88.04056	2.2
95.01401	7.8
101.02412	0.7
102.59303	0.6
108.02229	0.6
109.02946	1.2
111.66019	0.6
113.02448	1.4
119.05051	1.3
121.02998	2.1
123.00895	100.0
123.91035	0.5
124.01691	34.8
125.01977	1.2
130.82210	0.5
135.04538	0.7
137.02467	1.8
138.03241	54.3
139.04030	51.6
140.04376	2.0
149.02419	1.0
150.03226	0.6
151.04018	1.2
161.02431	0.7
161.04570	1.2
163.00372	1.2
163.04079	1.2
166.02742	1.1
178.02791	1.3
181.05081	4.0
193.05022	1.6
234.68333	0.6
339.72449	0.6
342.23853	1.0
343.10434	2.8
343.24377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.4
61.98834	4.2
71.01391	2.6
78.95917	3.6
84.62749	1.7
95.01409	6.6
109.01713	12.6
109.02930	3.7
109.13470	1.8
110.02509	4.5
117.03527	3.4
119.05046	7.6
121.03001	3.5
123.00900	100.0
124.01705	30.3
137.02448	2.5
138.03247	40.7
138.05621	7.6
139.04041	52.9
140.04427	2.0
150.03284	2.4
163.00391	5.6
163.04004	3.0
165.01894	2.7
166.02696	2.0
176.37123	1.9
181.05092	7.3
182.04562	11.1
183.71907	2.0
214.15794	2.5
216.05548	2.3
221.83420	2.9
223.83179	4.4
263.88110	2.7
265.87912	4.6
283.05862	2.3
309.83438	1.9
343.06686	2.0
343.10492	9.7
344.07516	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	343.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93035	1.2
59.01387	100.0
60.01727	1.2
69.12238	4.0
69.12646	3.2
69.30737	1.1
71.01393	3.8
79.95779	1.5
89.02443	7.1
98.68089	1.2
100.94104	1.1
101.02479	1.4
108.29504	1.1
109.02957	1.1
113.02459	2.0
117.03516	1.8
118.03870	1.0
118.98095	3.4
119.03522	2.2
119.05022	6.0
130.08730	4.3
133.02916	1.2
135.04582	1.7
137.02466	2.0
139.72571	1.3
243.06357	1.4
263.07620	1.3
297.04065	1.5
315.05173	2.9
315.92261	1.2
342.24014	1.6
343.04370	1.9
343.12201	3.4
343.20956	1.5
343.24533	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	343.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01717	1.2
65.99749	1.1
71.01385	4.8
89.02451	6.0
91.01920	1.3
99.00441	1.0
101.02409	1.2
113.02477	2.1
119.03551	2.5
119.05024	2.7
135.04587	1.9
139.75862	0.9
179.00044	1.7
185.58220	0.9
206.99399	1.2
266.58661	1.2
269.04303	1.4
343.04401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
61.52558	0.3
64.36929	0.3
69.48415	0.6
69.48809	0.9
83.98530	0.3
133.63734	0.4
137.06094	0.6
149.06100	0.5
163.04019	0.8
164.04774	2.2
165.05591	2.2
177.05563	1.0
177.09203	0.6
189.01942	1.1
204.04306	6.0
205.04893	0.5
205.08691	1.0
209.13242	0.3
229.05022	0.4
231.06702	0.4
241.08737	0.4
243.06544	0.4
244.07184	0.4
245.08109	0.6
253.08731	0.9
258.12625	0.7
265.08499	0.4
267.10281	1.5
268.10889	0.5
269.11823	0.6
271.13406	1.1
279.13681	0.4
280.07275	0.4
281.11841	3.0
282.12616	0.9
285.11307	0.7
295.09781	3.9
296.10120	0.6
297.11707	0.6
297.14954	2.5
299.12891	3.5
308.10416	0.3
309.11374	3.2
310.12106	3.6
311.12918	2.0
313.10870	1.0
325.14459	17.1
326.14890	1.9
328.13037	0.8
343.15512	100.0
344.15823	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	343.1552
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
59.01371	0.5
60.20014	0.3
65.03933	0.6
67.05511	0.5
69.57599	0.8
69.57954	0.9
81.03449	1.0
83.05022	0.6
95.01370	0.6
122.03764	0.7
123.00883	1.4
135.04582	0.4
150.03203	1.0
152.04852	0.6
165.05582	0.5
171.04532	1.2
173.06018	0.4
173.09895	0.4
185.09563	0.4
191.03503	0.5
217.05127	0.5
227.10654	0.4
231.06676	0.5
241.08795	0.4
253.08589	0.6
255.10158	1.1
256.11130	2.4
257.11685	0.4
265.08704	0.5
268.07501	1.4
269.07898	0.6
269.11807	0.5
271.13486	0.4
281.08197	1.6
281.11627	0.7
282.08862	1.9
283.09790	1.6
285.14929	2.2
293.11749	0.5
294.12491	0.7
295.10046	0.6
295.13382	0.9
297.11368	2.6
298.12122	0.6
310.12097	2.1
311.12878	5.8
312.13501	1.0
313.14471	100.0
314.14832	10.7
325.14612	0.5
343.15515	73.6
344.15817	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	343.1552
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
59.01377	1.6
61.92617	0.8
65.03962	2.8
67.01882	0.8
69.91249	1.8
81.03473	4.4
83.05037	1.6
93.03463	1.5
95.05060	1.2
98.21984	1.3
107.05003	0.8
108.02189	0.8
109.02938	1.1
111.00806	0.8
122.03726	1.6
123.08196	4.0
129.49974	1.0
135.04565	2.0
136.98770	1.7
143.83498	0.7
150.03241	4.8
151.03966	1.4
161.02472	1.2
175.07724	0.9
176.04781	1.4
178.02693	1.1
187.11296	1.2
189.12857	4.2
191.07181	8.0
215.07246	1.0
219.06650	2.2
227.14558	1.0
243.10318	1.9
243.17624	1.2
245.20622	1.0
253.16049	7.2
255.10416	0.8
256.10983	1.1
257.00708	0.8
269.11963	1.4
271.13293	3.8
271.17041	2.3
281.15509	2.5
284.82858	0.9
297.15137	2.7
299.12848	1.5
299.16452	2.4
304.15347	0.9
313.03580	1.1
313.14563	1.3
315.16055	6.7
325.14456	5.3
328.05737	1.0
343.15515	100.0
344.15863	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
68.28369	0.5
69.03461	2.2
69.07015	1.9
69.07437	2.0
82.19470	0.5
83.05029	1.8
97.02995	0.5
97.06589	0.7
99.08163	8.6
114.34093	0.5
121.10264	2.9
125.09727	1.7
127.11309	0.9
129.35214	0.5
137.09738	1.2
149.13347	0.5
165.12840	0.7
169.38766	0.6
171.10281	19.1
172.10651	1.3
175.11334	0.8
193.12344	14.3
194.12636	0.9
211.13419	3.6
225.14989	20.5
226.15332	1.9
237.79092	0.5
243.16035	7.3
250.98579	0.5
293.21234	2.7
325.14697	0.7
325.23712	0.7
336.09897	0.6
343.16293	2.6
343.24911	100.0
344.25235	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.5
61.98835	1.3
62.95080	0.3
69.71244	1.3
71.01390	2.4
72.00909	0.4
72.99307	0.4
74.02477	0.5
77.97145	0.4
78.95907	3.1
84.08223	0.5
84.94299	0.6
85.02956	0.8
88.04043	1.4
89.02448	2.7
95.01406	1.2
96.97028	0.4
97.20831	0.4
99.00919	0.4
101.02450	1.3
113.02457	0.9
114.01967	0.4
117.00446	0.7
119.03505	1.1
119.04993	0.5
123.00900	11.4
124.01709	3.1
128.07222	0.6
129.04152	0.8
130.08749	100.0
131.04591	0.6
131.08270	4.2
131.09102	2.4
132.08653	2.2
133.01591	3.8
137.02431	0.6
138.03238	5.9
139.04037	5.7
141.00493	0.4
145.09842	1.0
147.05283	0.9
148.28568	0.4
150.04221	7.0
151.17105	0.3
156.07788	0.3
157.03604	2.0
159.01483	0.8
161.04553	0.8
163.05124	0.5
164.03423	0.3
168.01501	0.6
173.10428	2.7
174.10875	1.8
179.05721	0.4
181.05086	0.4
183.01512	2.1
185.03059	0.4
185.97130	0.4
188.07860	1.4
197.07813	0.4
199.00951	0.6
200.17703	0.4
201.01085	0.7
201.02571	18.5
202.02701	1.2
207.66254	0.4
228.07253	0.6
230.08879	2.1
243.08412	0.7
257.19952	0.7
299.14615	2.3
301.16104	3.3
343.17245	57.8
344.03940	0.5
344.17487	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	343.1917
Annotation	Trigonochinene B
Peak:m/z	Relative Intensity
51.95268	1.2
58.84513	1.3
59.01363	1.2
59.89968	1.0
80.49795	1.2
81.00805	1.2
89.04955	1.3
102.80007	1.1
112.98833	1.4
120.92400	1.2
198.85507	1.2
201.05714	1.4
269.12021	2.8
281.11795	4.0
294.09323	1.2
295.13281	1.4
296.13931	1.6
309.14792	1.9
311.13144	1.3
311.16562	31.4
312.16901	3.6
325.14557	2.0
343.15506	11.3
343.19156	100.0
344.19507	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01873	1.0
56.83121	0.6
57.03461	4.5
59.01373	2.3
65.00335	1.0
69.03446	1.8
71.05025	3.6
73.02961	0.9
80.02679	0.9
81.03468	0.8
83.05029	3.2
84.02175	4.3
85.02981	4.2
85.06587	2.1
87.04514	6.6
95.05025	7.6
97.06587	3.2
99.04528	0.8
106.04288	0.8
111.04573	1.4
113.06075	1.5
119.05051	4.0
121.02920	0.7
121.06610	0.9
123.08174	1.5
125.09743	2.5
127.11299	2.2
135.04559	0.9
135.08165	3.0
153.09169	1.6
163.11322	1.6
166.99963	1.1
167.14417	0.9
171.10284	29.0
172.10670	1.6
177.12888	1.2
178.99860	1.3
183.01193	1.5
183.13902	2.6
183.15543	0.7
185.11816	1.5
193.12357	1.5
193.15936	1.1
197.11812	1.1
201.11465	1.0
209.11908	5.7
211.13431	20.9
211.86627	0.9
212.13759	1.0
221.11873	2.6
223.13464	0.9
229.14473	20.5
230.14851	0.8
237.14993	22.2
238.15390	1.3
239.12958	1.3
249.14943	2.5
255.16026	1.2
267.16013	0.9
285.04129	1.1
287.05823	1.0
289.18146	3.1
299.05743	1.5
307.19257	2.3
325.20221	14.8
328.05829	1.0
329.06058	1.1
343.08612	4.5
343.15369	4.9
343.21280	100.0
344.21634	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	343.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
58.28418	0.6
59.01384	48.2
69.03475	0.8
71.01385	1.5
71.05028	1.7
81.03454	1.2
83.05041	2.3
84.02180	3.3
85.02966	4.6
95.05047	4.2
97.02978	0.8
97.06603	3.9
101.06064	0.7
106.04236	0.8
109.06586	1.5
111.04487	0.9
113.06061	1.3
119.05034	1.2
123.08163	2.2
125.09747	1.6
127.11292	1.2
135.04568	1.0
135.08167	1.7
137.09706	1.5
137.51552	0.7
141.09279	1.0
153.09187	0.9
161.06079	0.9
165.12865	2.8
167.10776	3.2
167.14377	0.8
171.10278	7.6
183.01225	1.9
183.13910	1.9
185.11864	1.2
201.11374	1.9
208.14595	0.7
209.11760	1.5
211.00385	0.7
211.13351	7.5
212.13951	0.9
221.11751	1.3
229.14435	14.2
237.15109	1.2
249.14954	0.9
259.15961	0.8
265.08768	1.0
289.17935	1.0
299.05655	0.7
299.12894	0.8
325.14462	1.1
325.20279	4.8
343.03302	1.2
343.15753	11.5
343.21262	100.0
344.16132	0.8
344.17014	0.9
344.21661	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	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.74923	1.1
53.00293	1.4
53.94378	1.1
54.71929	1.1
59.01374	1.8
69.17493	7.8
69.54083	1.1
78.00154	1.0
81.03466	5.5
83.05022	2.8
90.71753	1.2
91.35007	1.3
97.06599	1.2
121.10246	2.1
125.09742	5.1
127.11297	11.3
137.09747	2.6
139.11331	8.6
146.86125	1.3
151.11295	1.3
155.10776	2.6
165.09200	4.6
171.08957	2.5
171.10292	23.3
178.94363	1.3
199.09709	1.6
201.11339	43.9
202.11674	3.7
243.13806	2.4
255.17542	3.2
257.11856	2.4
270.01657	1.4
275.20209	3.8
281.15424	2.3
283.13928	2.5
285.03964	2.0
293.21277	3.4
299.16479	15.2
300.16681	1.9
311.22363	5.8
313.03616	3.2
315.16028	3.9
328.05963	2.7
332.85349	1.4
343.08557	2.1
343.15881	13.1
343.24930	100.0
344.25220	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	343.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49743	1.6
59.01385	2.5
61.98846	2.2
65.00330	3.5
69.85342	2.9
72.78474	1.7
72.87840	1.5
72.99297	2.8
75.00891	5.6
86.23658	1.3
87.00880	53.8
93.36578	1.5
99.00807	1.4
102.23542	1.6
105.01943	100.0
115.23667	1.5
129.57129	1.5
135.27597	1.7
136.98810	2.2
167.49289	1.6
171.04543	1.6
173.95566	1.5
174.65150	1.4
179.11139	1.5
239.03494	1.8
255.23317	97.2
256.23694	6.2
258.04953	4.6
267.03018	4.6
285.04099	2.3
343.09650	1.9
343.15683	2.3
343.24835	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
69.03461	1.7
69.86588	1.8
76.49517	0.5
78.26141	0.5
83.05024	1.5
83.72237	0.4
95.05025	0.5
97.06623	0.8
98.21996	0.8
99.08176	8.0
113.09758	0.5
120.77579	0.5
121.10244	5.1
123.08188	0.8
125.09750	1.8
127.11289	1.6
137.09700	1.9
139.11305	1.8
144.55074	0.5
149.13397	1.0
153.09245	0.6
165.12962	0.8
171.10291	37.1
172.10643	1.7
175.11313	1.2
193.12358	14.9
194.12747	1.2
201.11275	0.8
211.13449	3.2
225.14978	18.1
226.15274	1.6
243.16022	7.5
291.67172	0.7
293.21283	2.8
298.00958	0.7
313.03760	0.8
325.23859	0.9
328.06024	1.1
343.15933	1.9
343.24921	100.0
344.25214	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	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
58.69721	0.9
59.01382	1.0
69.03468	0.8
69.32230	3.4
71.96206	0.8
72.84246	0.7
75.30621	0.7
80.04160	0.7
83.05032	1.8
92.07537	0.7
99.08169	7.3
102.13481	0.9
108.13792	0.7
121.10247	4.5
125.09717	1.3
127.11369	1.3
137.09781	1.9
140.51599	0.9
155.99278	0.7
165.12901	0.7
171.10281	35.3
172.10641	1.5
175.11256	1.6
193.12335	11.0
193.13934	1.2
210.06433	0.7
211.13385	2.5
225.14999	17.0
243.16025	5.6
280.46152	0.9
292.00287	0.9
293.21298	2.8
343.15924	2.3
343.24921	100.0
344.25238	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	343.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39019	0.4
69.40455	2.0
78.48870	0.4
89.86890	0.4
95.04926	0.4
113.09764	0.5
121.04823	0.4
121.10249	12.3
122.10558	0.7
125.09724	1.4
127.11305	2.1
137.09761	2.4
139.11295	3.1
153.09280	0.5
171.10287	66.8
172.10622	2.9
201.11340	0.8
201.87836	0.4
209.70901	0.4
293.21265	1.7
301.51843	0.4
313.03601	1.0
328.05930	0.8
342.82614	0.4
343.16098	2.4
343.24924	100.0
344.25244	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	344.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49907	3.3
58.02956	4.7
67.31574	3.6
69.03455	7.7
69.20049	23.0
80.98624	4.1
81.03474	13.1
90.76058	4.0
91.05554	5.8
94.03001	13.6
96.04571	11.6
97.02961	15.0
98.22625	9.3
110.02486	20.9
117.03493	33.8
117.07131	4.4
122.02494	3.8
124.04070	12.9
131.05055	7.7
133.06706	4.7
143.08694	3.9
149.06125	5.4
156.02977	3.7
157.06569	4.6
161.06064	7.2
166.05135	30.3
167.08707	7.9
169.06624	12.5
183.08069	4.6
185.09740	37.9
187.04033	15.1
187.76138	4.1
188.04816	100.0
189.05522	31.8
211.07715	11.3
215.07108	6.5
228.10303	16.3
229.08710	29.0
239.07033	3.9
254.08252	25.8
255.08580	4.2
265.08875	6.2
272.09296	72.8
326.10147	7.8
344.07776	5.7
344.11536	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	344.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33804	2.4
57.03456	15.5
58.02965	4.6
59.01376	13.3
67.01903	26.1
67.16924	3.0
68.99821	12.7
69.03458	2.8
69.86210	2.4
70.12372	2.4
72.04556	3.6
72.99325	3.9
81.03471	14.4
81.95496	2.4
82.02995	61.6
83.01409	10.6
84.04551	3.8
85.02950	31.7
85.03407	3.0
86.02486	3.5
89.73099	2.8
93.03468	6.0
94.03006	15.6
95.01406	12.6
97.02975	4.0
98.02484	36.4
98.21850	7.4
99.04552	19.9
100.04055	22.4
100.97146	2.4
107.05030	6.4
108.04529	4.3
109.02961	13.2
110.02480	6.1
111.00893	19.8
111.04526	7.2
111.67786	2.9
112.04052	30.9
116.03500	6.5
117.03487	6.2
123.00860	2.8
123.04551	5.4
124.04130	3.0
124.15418	2.6
125.06083	3.7
126.02018	6.5
126.05621	4.0
128.03543	7.4
135.03627	4.4
135.04552	48.9
136.04025	4.9
137.02452	16.2
138.01982	29.4
139.04047	10.3
145.06630	17.7
147.04538	4.5
149.06100	8.9
150.05646	3.5
151.04030	7.3
152.03517	3.3
152.24556	3.1
153.05556	4.2
156.03041	100.0
157.06567	6.2
161.02499	3.4
165.05565	13.1
167.07211	3.3
168.06686	5.8
171.04575	4.0
171.08084	2.8
172.05301	5.2
173.06075	8.2
174.03227	3.8
177.05594	9.1
178.05122	43.6
179.03491	5.3
185.06046	6.8
187.07617	15.8
192.06668	7.1
195.08293	3.6
196.06207	5.7
206.07654	3.2
209.09702	4.0
215.07138	49.4
216.07500	3.7
220.06174	17.4
223.07635	5.3
227.07185	27.0
237.09264	7.9
238.07195	34.3
239.07271	7.5
243.06580	13.3
252.53445	2.7
255.10060	3.7
265.08777	13.3
266.08267	4.1
267.06693	5.3
280.09988	4.8
284.09338	18.9
298.10962	13.4
298.13809	3.2
308.09402	6.0
326.10339	17.2
344.11322	23.7
345.11929	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	344.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	34.4
61.98811	9.0
71.01399	34.9
71.38378	4.8
72.00898	13.5
72.17457	4.8
76.64558	5.7
78.95909	83.2
88.04052	31.5
89.02448	23.8
101.02431	6.1
101.09038	5.2
109.01694	12.4
113.02439	9.5
113.03552	7.6
114.05627	12.3
115.00379	21.0
115.08778	12.4
132.03015	8.1
143.11861	7.1
145.09819	9.0
147.04552	37.6
150.04175	11.2
151.82892	4.7
164.07161	100.0
165.07486	5.7
178.96025	19.8
211.00150	20.1
211.14714	6.0
228.17194	56.0
229.15526	16.1
266.00589	14.1
267.62823	5.5
284.01736	26.2
300.12067	10.8
300.19449	5.7
326.03046	6.7
344.18176	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90123	14.9
57.43451	14.4
61.59596	14.0
69.63056	24.4
69.63436	34.7
70.33120	12.2
82.70974	17.3
111.82101	15.0
173.27957	15.3
277.20590	17.2
345.17017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48100	0.8
54.07467	0.8
57.19056	0.8
57.86740	0.7
58.02982	20.9
59.01377	3.3
64.03844	0.7
69.34840	4.2
71.01379	1.0
73.04082	3.5
74.02473	3.9
82.06565	0.7
88.04047	99.2
89.04409	1.7
95.42680	0.8
98.02501	1.8
101.07217	1.4
106.45815	0.8
109.02979	1.5
110.02498	1.7
112.00419	1.2
115.05132	3.3
116.03542	1.1
117.03454	2.8
119.05035	4.3
120.86123	0.8
126.04365	2.0
128.03479	1.0
129.10350	2.1
131.43283	0.9
139.03983	0.8
141.10378	1.2
143.11899	2.6
145.02986	1.1
151.00420	1.1
152.07179	8.9
157.13469	12.5
162.60600	1.0
168.11415	1.3
169.09857	2.6
183.11407	1.5
201.12448	13.7
210.12399	1.0
211.10887	9.5
214.15610	15.5
256.16623	1.1
256.20258	0.9
283.06049	1.0
300.15668	100.0
301.15945	7.1
326.06595	1.6
335.12268	1.1
344.07614	2.5
344.18161	7.5
344.21786	1.0
345.18549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	9.1
59.01396	6.3
65.78377	1.0
66.03493	1.2
70.02994	1.8
71.01395	1.6
73.04082	12.7
74.02492	1.1
80.68056	1.0
81.02196	4.5
82.02996	2.0
83.01418	1.5
84.04572	2.5
87.05651	1.9
89.02459	1.3
93.03448	1.1
96.00920	7.1
97.04070	2.1
98.02493	16.2
99.05621	1.8
101.07204	1.8
101.84116	1.0
107.85075	1.1
108.08217	1.2
109.01685	2.5
109.02927	2.1
110.02486	10.7
112.00391	1.1
113.02483	1.1
113.03556	6.3
114.01986	2.1
115.05125	5.3
116.03565	1.7
116.07212	8.7
117.03481	3.6
118.03792	2.3
119.05013	1.7
124.07655	5.4
125.07217	3.5
126.05629	3.5
127.05148	2.5
130.08754	100.0
131.04652	1.5
131.09126	2.3
135.04591	1.3
137.02477	1.0
138.01852	1.1
138.09279	10.5
140.07161	2.8
140.10870	3.5
141.10356	1.0
143.11917	1.5
151.08755	1.2
152.07187	19.9
153.07550	1.3
157.13472	50.9
158.13879	2.3
166.08768	4.7
169.06152	2.3
183.11375	2.4
185.16624	5.3
196.06160	1.1
201.12465	20.5
211.14442	5.7
214.15617	37.4
215.16011	2.8
219.15074	3.4
221.16516	6.0
222.09995	1.3
229.15616	4.6
247.12314	1.1
247.14523	6.3
256.03323	2.1
256.16669	3.2
257.12924	4.2
265.15594	5.9
272.06305	1.9
300.15671	92.2
301.15952	6.7
309.14581	67.7
310.14807	6.5
326.17279	26.1
327.15344	1.0
327.17712	1.7
344.18253	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75215	2.4
55.01864	2.6
55.73621	2.0
57.03448	4.4
59.01368	11.1
62.10267	2.2
65.00321	3.2
65.03957	4.7
67.01893	14.2
67.48267	2.1
68.34728	2.3
68.99809	2.8
69.03463	34.6
69.34100	8.7
72.99306	3.2
79.01911	11.2
80.96542	3.3
81.03464	7.0
82.02991	6.7
83.01384	15.2
83.05021	2.4
85.02948	14.9
93.03466	27.9
95.01390	26.2
96.96022	3.0
97.02943	25.8
99.00884	6.7
99.04514	3.1
100.04038	3.4
101.02457	2.1
107.05003	3.2
109.02954	14.0
109.06540	2.4
111.00883	25.7
111.04504	4.0
113.02472	22.6
117.03465	10.8
119.01421	5.6
119.05035	100.0
123.00892	57.5
123.04539	4.5
124.01700	4.0
124.98846	2.4
125.02464	31.1
130.04256	2.7
131.04971	7.0
133.02948	4.5
133.06590	5.4
135.00858	4.3
135.04517	7.1
136.04913	2.7
137.02466	29.1
139.00380	9.7
141.01920	13.0
142.99892	4.9
143.05037	27.7
145.02968	31.1
145.06610	5.4
147.04520	20.2
149.02403	2.6
149.06093	3.5
150.03247	3.1
151.03989	7.3
153.01941	20.7
154.99861	7.3
155.03464	8.4
156.05833	3.0
157.01430	13.4
157.06517	5.2
159.04541	5.5
161.06049	8.5
163.00298	3.0
163.04004	10.7
166.99870	17.0
167.05017	2.6
169.06592	18.8
170.07051	3.2
171.04543	11.6
171.08127	3.7
173.06021	5.0
175.04022	12.3
177.05551	19.7
178.05064	2.5
181.01448	14.2
181.06792	2.3
184.05391	3.2
185.06071	11.9
187.04050	10.1
187.07693	12.5
188.08092	2.6
189.05475	4.1
197.06094	14.3
199.02356	5.0
199.04039	5.7
199.07579	3.7
200.04729	9.6
201.05548	5.1
203.07181	4.4
211.07602	13.7
213.05638	16.6
213.09242	6.5
214.06212	2.9
215.07132	20.9
216.07350	2.5
217.05028	8.0
221.06418	2.9
227.07065	5.7
229.08672	6.7
231.06689	2.9
239.07094	23.1
240.07576	2.9
241.05093	14.5
245.04504	5.0
255.06778	11.2
257.04575	6.2
257.08304	13.2
257.12964	5.4
258.05283	2.6
259.06046	9.1
266.09058	2.9
273.07614	8.6
283.06131	47.6
284.06436	4.0
286.04831	4.9
301.07101	20.1
345.06122	35.0
345.10120	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	345.0617
Annotation	5,7,3',5'-Tetrahydroxy-8,4'-dimethoxyflavone
Peak:m/z	Relative Intensity
61.64661	0.4
65.00327	0.9
69.58997	1.7
69.59352	0.9
87.39478	0.5
88.55663	0.5
90.11819	0.5
98.21894	0.5
100.06292	0.5
123.00907	1.4
135.00894	1.2
136.98857	1.4
140.11037	0.6
149.02455	24.4
150.03282	2.8
150.95248	0.5
151.00409	1.9
151.03975	1.0
163.00371	4.3
164.98305	3.6
171.04509	0.7
175.04047	0.5
177.02054	0.5
177.99051	0.7
178.99893	2.1
187.04065	1.5
191.03516	1.2
199.03926	1.3
213.02023	2.3
215.03552	11.7
216.03940	1.2
217.01468	2.7
219.02985	0.5
227.03490	1.1
229.01343	0.8
231.03049	0.8
241.01410	3.9
242.02032	0.8
243.02983	5.5
259.02548	5.0
269.00986	1.0
271.02481	2.8
287.01999	6.1
297.00558	0.8
298.00992	0.6
300.02914	1.2
301.03549	9.3
302.03860	0.6
312.02661	0.8
313.03314	0.6
315.01505	75.8
316.01846	6.6
327.01608	0.7
329.03070	25.4
330.03809	38.7
331.04205	3.1
345.06180	100.0
345.17154	5.8
345.22757	1.9
346.06552	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	345.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.6
59.01385	18.4
62.95504	1.5
65.00310	3.0
67.01881	2.3
68.99836	2.1
69.03461	9.4
69.52062	5.7
71.01390	23.1
72.99318	4.6
73.02943	2.6
75.00884	24.1
78.76105	1.3
79.59146	1.4
80.47683	1.4
80.96513	2.5
81.03470	2.6
83.01405	4.8
85.02959	24.9
85.99689	1.4
87.00872	12.5
89.02454	5.2
91.01910	12.1
93.03456	7.1
95.01411	4.8
97.02952	4.4
99.00904	17.0
99.04531	1.9
101.02426	3.0
106.53112	1.5
107.05079	1.7
108.02200	8.1
109.02955	4.2
110.06107	3.4
111.00889	11.8
113.02486	3.6
117.01982	2.1
117.03481	2.0
119.05037	24.3
121.02897	1.9
123.00879	5.6
123.04539	40.4
125.02430	4.2
129.01961	20.3
135.00850	2.7
137.02455	6.8
138.03256	1.6
139.00414	2.7
141.01947	3.9
143.05002	8.5
145.02956	7.8
147.04500	2.6
151.00459	2.5
152.01196	7.4
153.01944	7.5
155.03481	1.6
157.01398	3.7
159.03050	3.8
159.04466	1.8
163.04120	2.0
167.03513	100.0
168.04071	4.1
169.05045	1.6
169.06593	4.7
171.04634	1.7
173.06100	2.1
175.04034	1.6
177.04070	99.7
177.05440	3.6
181.01425	2.8
183.06639	4.8
189.05649	2.8
195.03432	2.2
195.05116	18.0
197.00897	1.8
197.06114	2.2
199.02477	2.0
209.04639	8.2
211.07718	1.8
213.05476	4.3
213.09254	1.8
215.07100	1.9
216.97475	1.6
217.05051	3.5
223.99057	1.5
239.07144	4.6
241.05078	3.3
255.06737	2.4
257.04489	2.1
257.08151	3.4
269.06647	5.8
283.06094	6.1
301.07220	5.3
327.07196	4.1
345.08173	46.9
345.12326	2.8
346.05930	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	345.098
Annotation	Kushecarpin B
Peak:m/z	Relative Intensity
51.12947	0.9
55.01853	1.1
55.21072	0.9
62.93707	1.0
65.00309	1.4
67.01882	1.1
68.99830	2.0
69.03445	2.5
71.40393	0.9
79.01898	3.1
81.03458	2.2
83.01385	4.2
91.01915	1.1
93.03462	1.3
94.52271	1.0
95.01400	3.3
96.79063	1.0
97.02951	3.0
106.83419	0.9
107.01410	1.7
107.70622	1.0
109.02940	6.1
110.00105	6.4
111.00912	5.1
113.02445	3.4
121.02888	1.3
123.00898	3.7
124.01672	2.2
125.02451	9.7
136.98831	2.8
137.02449	7.1
137.99612	2.4
138.03233	11.2
139.00432	1.4
141.01871	1.9
141.07089	1.2
145.06613	1.3
145.88698	0.9
150.03215	1.4
151.00356	5.6
152.01205	1.7
153.01942	14.0
153.82097	0.9
157.06532	1.7
163.00313	1.8
164.01157	1.4
164.98273	5.0
165.01959	9.3
165.99088	8.8
166.02748	10.1
167.08757	2.3
171.04514	2.1
173.06087	12.9
176.01140	2.0
178.99823	4.8
179.08685	1.5
181.01434	12.2
181.06491	1.2
182.01971	1.2
194.02226	3.9
194.44359	1.2
195.08157	5.3
204.00693	1.2
209.00876	8.9
213.05472	1.2
213.09247	1.6
215.07036	2.0
223.07657	2.9
225.05624	1.3
227.07172	1.4
229.05055	2.6
239.07172	9.3
240.07635	1.5
241.05014	6.2
241.08699	2.9
243.06627	1.6
251.07181	1.7
255.06721	2.1
257.08191	24.3
258.08554	2.1
267.06631	11.6
269.04584	6.3
269.08069	4.8
270.05328	8.6
271.05994	2.7
285.07681	32.6
286.08060	2.6
295.06082	17.3
295.09369	1.4
296.06247	1.5
313.07190	100.0
314.07486	10.7
345.09796	66.2
346.10071	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	345.1709
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
50.93512	0.2
65.00324	0.2
69.40199	1.1
80.28212	0.2
80.61365	0.2
117.34231	0.2
123.39244	0.2
126.17731	0.2
135.28491	0.2
160.04451	0.2
164.98311	0.6
185.21033	0.2
190.74191	0.2
191.03552	0.7
193.05045	0.5
201.32692	0.2
203.03596	0.2
204.04369	1.1
217.05025	0.4
219.06671	0.3
229.08659	0.2
230.05716	0.2
235.06177	0.7
237.07808	0.2
248.06891	0.6
249.07661	0.3
257.11725	0.2
265.14716	0.3
267.02911	0.3
269.04501	1.0
269.11710	0.3
271.09772	1.7
272.14261	0.4
283.09671	1.2
284.10446	0.4
285.11334	3.1
286.12039	1.8
287.05518	0.3
297.11227	0.9
299.12808	0.3
300.13644	1.4
301.10986	0.4
301.14429	8.4
302.14801	0.8
311.12869	0.7
312.13568	0.6
315.12445	1.4
327.12613	0.2
327.16006	5.8
328.16327	0.7
329.13867	1.7
330.14774	1.1
343.15521	1.2
345.17078	100.0
346.17419	10.8
346.20758	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.171
Annotation	[4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid
Peak:m/z	Relative Intensity
65.00328	1.0
82.90604	0.7
88.44620	0.8
89.21011	1.0
97.22414	0.8
123.04487	1.2
135.04488	1.2
136.98769	1.0
164.98299	1.2
188.04810	1.2
189.05482	1.5
225.09258	1.6
237.12790	0.9
240.11534	5.3
253.08742	3.7
255.13940	4.3
266.13022	1.3
267.10260	1.6
268.11053	10.3
269.04590	2.6
283.13513	7.8
287.05579	0.9
294.12741	1.9
297.11230	1.9
299.16589	1.4
301.14447	2.9
311.12869	1.3
312.10141	0.6
312.13690	16.1
313.14127	1.8
327.15991	3.5
343.15152	1.2
345.17087	100.0
346.17435	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	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34615	1.0
55.53382	1.0
56.86001	1.0
69.20770	6.9
71.13618	1.0
75.37630	1.0
86.38858	1.0
123.00896	11.4
124.00039	1.1
124.01683	3.2
135.04546	1.8
141.84746	1.1
151.04013	3.3
171.05966	1.0
171.10188	1.5
177.05455	1.2
189.12904	1.5
229.15935	1.6
245.11899	1.2
255.13910	1.5
257.15579	3.7
271.09619	1.2
273.15073	2.6
283.13306	5.4
285.15054	1.5
291.19745	1.1
301.14468	19.6
309.20508	5.0
317.17630	2.8
327.16046	4.7
345.17105	100.0
346.17410	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	345.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	15.9
70.90983	21.9
79.77068	11.9
103.00868	12.6
154.76436	12.2
175.75191	12.9
215.08029	12.7
291.19669	100.0
292.20105	21.9
309.20697	84.0
345.17026	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	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	43.4
60.01713	4.3
61.01807	1.0
61.98835	100.0
65.55972	0.4
71.23215	0.4
78.95919	2.6
80.96522	0.5
93.13435	0.4
94.03001	1.0
96.90111	0.5
96.96978	0.5
131.08311	1.4
134.04768	0.7
138.02002	1.9
148.06354	1.8
157.03490	0.4
158.03737	0.5
159.03348	0.9
161.01208	0.7
179.72417	0.4
195.06703	0.5
201.02580	4.9
202.02731	17.2
203.02299	19.8
204.00014	38.4
204.02667	5.2
205.00171	2.3
205.02878	0.7
211.00249	1.0
220.85283	0.4
278.38071	0.4
287.06213	0.4
306.17053	0.4
310.11734	0.7
341.70999	0.4
362.41333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86155	0.4
59.01381	57.0
60.01719	5.2
61.01813	1.5
61.98833	100.0
107.65863	0.5
125.15151	0.5
126.76678	0.5
156.94302	0.5
157.03586	0.7
158.03812	1.7
159.03300	2.7
160.01775	0.6
161.01248	0.9
164.52867	0.5
201.02562	7.6
201.04260	0.6
202.02724	25.5
202.99188	0.7
203.02298	29.1
204.00063	46.8
204.02803	8.9
205.00166	3.7
205.02878	0.8
212.26692	0.5
346.03827	0.9
358.35110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16774	0.6
59.01382	100.0
60.01723	1.0
70.54749	1.0
71.01382	3.5
73.02946	1.5
83.01392	0.8
85.02957	1.5
89.02468	1.0
101.02425	3.2
113.02470	1.6
117.08402	0.5
119.05064	1.0
122.21659	0.6
130.08788	0.6
161.04573	2.0
166.05937	0.6
215.03593	0.8
286.04904	0.6
304.06052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34113	24.1
53.43766	30.4
57.13967	29.1
59.01379	100.0
60.12400	29.2
64.95774	29.4
70.35920	30.4
70.44756	53.0
71.01389	30.1
73.02938	32.2
76.20083	30.5
77.28603	24.7
87.37345	34.2
101.02450	43.5
125.61353	31.2
159.89262	26.4
185.04553	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1624
Annotation	Glu-Ile-Ser
Peak:m/z	Relative Intensity
58.02981	41.2
59.01374	10.6
59.10580	3.3
65.58095	3.0
69.15543	7.7
69.15951	14.7
71.01369	3.6
72.00930	4.8
73.04079	17.6
74.02480	73.6
78.95927	7.1
82.06629	3.8
85.02950	4.2
86.02492	7.5
87.05642	3.5
92.43424	3.5
97.04053	4.6
98.02496	10.8
98.21855	8.0
104.03544	50.9
108.08142	4.3
112.82249	3.0
115.05122	23.2
116.03503	5.4
119.05056	4.9
126.09251	4.3
130.08766	10.0
141.10310	5.1
143.11917	40.0
152.07146	26.5
153.10367	4.8
155.11917	44.5
167.11989	4.6
169.09857	11.0
173.13020	6.7
182.08252	9.9
185.12950	6.8
187.10956	16.9
200.14056	48.7
211.10931	16.5
212.14059	28.4
223.10956	6.4
229.11909	13.6
230.15211	5.3
231.88867	3.7
241.11919	5.5
254.15128	32.8
259.12994	11.7
286.14127	62.0
298.13968	12.1
316.15128	63.3
317.15451	4.8
328.15143	10.4
346.16235	100.0
347.16568	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	347.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05658	23.6
59.01368	100.0
70.11687	75.2
71.01396	54.3
78.95926	50.8
101.02449	53.9
128.03535	48.8
132.04869	95.4
135.04562	47.1
159.76849	28.1
161.04645	42.7
187.12856	31.9
187.72531	26.5
315.04913	32.9
347.03354	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	57.5
61.98837	84.1
63.22171	3.3
69.91869	11.6
71.01388	30.7
72.99314	6.0
73.02952	12.2
78.95904	12.4
85.02979	7.6
89.02447	75.3
92.92845	4.8
94.92536	6.9
99.00889	14.9
101.02444	39.0
108.90205	11.9
113.02450	9.9
119.94730	5.7
121.94415	11.2
125.00105	6.7
131.03503	22.0
133.83714	3.6
135.92105	13.7
137.08630	4.0
137.91821	13.2
149.04567	100.0
150.04921	3.1
161.04552	7.4
191.05647	20.2
193.03551	7.2
221.06650	5.4
251.07726	6.7
274.88071	14.4
292.89185	11.5
311.09860	14.7
347.07529	99.6
348.07608	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0754
Annotation	Flustrabromine
Peak:m/z	Relative Intensity
59.01395	47.6
61.98840	17.2
70.77020	12.8
71.01398	43.4
72.99323	14.1
77.11944	8.7
78.95913	74.8
81.21365	9.3
85.02983	10.5
89.02454	64.3
89.64542	8.5
95.87977	8.5
96.96973	15.5
101.02464	29.0
115.28537	8.9
131.03519	25.9
131.08305	25.5
133.95937	8.5
149.04582	76.2
173.10507	21.3
208.59367	8.1
254.50928	8.8
258.16779	8.3
271.56525	9.3
347.07660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28291	0.7
51.98309	0.7
57.03464	0.8
59.01386	100.0
60.01727	0.9
63.97510	0.5
66.16434	0.6
71.01387	6.9
71.05037	0.6
73.02968	2.5
80.05053	0.6
82.02969	1.2
83.01410	2.0
83.05023	0.8
85.02953	3.7
87.00895	0.7
88.01260	0.7
89.02457	0.8
96.04598	0.7
98.02473	3.3
99.00890	0.6
101.02457	3.6
101.15090	0.6
108.04574	2.0
113.02489	2.1
124.04068	1.1
126.05643	1.3
127.00336	0.8
133.03020	0.8
133.06950	14.8
135.04515	1.1
141.14447	0.6
143.10797	1.0
152.03517	4.0
159.03023	0.7
161.04626	1.6
168.03081	2.0
170.04669	2.3
180.12875	0.6
196.02539	15.2
213.25925	0.6
214.03638	1.1
246.09505	0.6
285.58273	0.7
302.10971	0.7
305.16025	3.3
315.05249	1.3
330.10336	2.4
348.11282	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45367	0.6
55.01890	0.9
57.86193	0.6
58.00595	0.8
58.99611	1.9
59.01387	66.2
60.01711	0.7
66.92144	0.8
69.26184	3.8
71.01391	29.4
72.99320	1.2
73.02943	1.8
76.72324	0.6
83.01400	2.4
85.02956	6.2
87.00859	1.4
89.02455	21.9
95.01408	2.4
98.21957	1.6
99.00937	0.9
101.02460	17.4
109.02956	1.2
111.00894	1.7
113.02461	11.9
119.03516	10.3
126.05641	1.3
155.10869	0.8
165.99184	0.6
167.10802	11.8
169.01566	0.7
170.02229	1.8
185.04561	17.8
185.11905	3.6
187.04106	0.9
262.07950	0.7
264.30945	0.7
303.04773	0.8
315.05164	1.6
347.17145	100.0
348.17526	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	347.1716
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.45367	0.6
55.01890	0.9
57.86193	0.6
58.00595	0.8
58.99611	1.9
59.01387	66.2
60.01711	0.7
66.92144	0.8
69.26184	3.8
71.01391	29.4
72.99320	1.2
73.02943	1.8
76.72324	0.6
83.01400	2.4
85.02956	6.2
87.00859	1.4
89.02455	21.9
95.01408	2.4
98.21957	1.6
99.00937	0.9
101.02460	17.4
109.02956	1.2
111.00894	1.7
113.02461	11.9
119.03516	10.3
126.05641	1.3
155.10869	0.8
165.99184	0.6
167.10802	11.8
169.01566	0.7
170.02229	1.8
185.04561	17.8
185.11905	3.6
187.04106	0.9
262.07950	0.7
264.30945	0.7
303.04773	0.8
315.05164	1.6
347.17145	100.0
348.17526	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	347.1876
Annotation	CHEBI:68267
Peak:m/z	Relative Intensity
55.01879	0.9
57.03461	0.7
58.00595	2.7
59.01385	45.8
62.99532	0.6
69.64750	2.4
71.01389	2.3
71.05038	0.6
72.02183	1.9
73.02954	6.2
75.16887	0.6
79.01494	0.7
80.02702	0.8
81.03468	1.6
83.05011	0.8
85.02962	1.2
87.00865	0.6
93.03484	1.2
97.02916	3.4
98.21945	1.4
100.01675	11.9
101.02462	1.4
107.05062	0.9
108.02188	34.9
109.02985	3.4
111.04556	0.9
119.05057	1.1
121.06622	3.6
125.02442	2.5
135.04536	0.9
135.08087	0.8
137.09685	0.8
138.74167	0.6
145.70290	0.6
163.07629	1.7
175.14946	0.6
211.14949	1.5
213.16597	1.0
227.14459	1.8
229.15961	8.0
243.13916	1.3
243.17535	2.1
245.15480	3.2
247.17073	8.9
248.17529	0.8
255.13986	1.1
257.15509	1.7
259.17072	0.7
273.14990	72.4
274.15289	7.6
275.16553	1.3
287.16425	3.2
291.16281	3.5
303.19553	1.1
305.17627	2.9
347.18652	100.0
348.18985	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	347.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67711	25.0
69.35062	56.7
69.35476	100.0
103.96630	32.7
119.14208	26.3
144.90471	31.5
164.98430	30.9
229.45712	28.7
231.02945	40.2
231.14040	30.9
236.08736	32.3
296.61761	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58113	19.7
66.22691	18.1
69.35226	100.0
74.84231	17.9
128.57658	23.7
130.36501	18.6
293.21509	24.7
303.19888	23.5
311.22217	37.3
324.98645	23.0
347.18597	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46412	3.2
59.01395	19.3
65.00341	5.7
70.05112	8.2
70.05453	5.0
71.01392	6.3
79.16988	3.4
82.60390	3.2
83.01404	4.8
89.02448	8.3
90.99588	3.5
98.22044	4.8
101.02469	5.4
107.01412	10.1
133.02982	6.9
151.00381	22.7
153.01945	9.4
166.99901	4.0
181.01454	4.2
182.09787	3.4
269.04562	100.0
285.04001	19.9
305.21060	3.8
347.18622	3.9
349.00363	7.7
349.18784	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	348.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	10.5
59.01394	2.8
70.02982	2.9
71.01361	2.2
71.41425	1.9
72.04559	15.8
82.02988	100.0
83.03359	1.8
83.05045	3.9
84.04547	5.4
85.02943	5.1
91.05532	2.9
93.03485	3.2
95.01417	2.1
96.04587	1.7
98.02487	17.3
99.00862	2.6
100.04052	93.8
106.90766	2.0
108.28429	1.7
110.06098	3.7
111.04540	5.7
116.03546	5.6
117.03448	16.0
119.05033	2.7
131.05048	14.3
133.06599	9.4
136.04060	4.1
138.05620	4.2
145.06670	2.1
146.03740	1.9
147.04523	7.0
147.08203	8.3
149.06133	9.1
159.04510	10.1
159.08134	4.1
161.06108	27.1
175.07687	7.9
188.04810	44.7
189.05576	76.4
190.05930	3.5
197.09714	3.9
199.11322	7.8
203.07158	14.3
208.21674	1.9
210.06850	3.1
225.09177	4.5
226.09383	1.9
231.06865	2.4
242.11858	18.1
258.11401	16.5
268.09885	2.7
278.92374	2.1
286.10870	55.0
287.11255	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	348.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58772	0.9
55.01864	1.1
59.01381	18.4
66.03486	1.4
71.05024	4.1
80.05055	4.3
82.02985	9.2
83.01398	5.0
83.05033	4.3
86.02473	2.3
87.00861	2.1
87.02746	1.9
88.04048	2.1
96.04570	4.9
96.31412	0.9
98.02489	30.6
98.06127	5.3
99.00874	1.8
108.04572	23.7
109.04898	1.4
112.93816	1.3
120.01248	1.1
121.67916	0.9
122.38918	1.1
124.04053	16.6
126.05629	10.5
127.00379	3.5
131.05447	0.9
133.02969	2.0
133.06946	100.0
134.07285	2.5
142.03377	1.4
142.05148	1.9
151.81055	1.1
152.03552	26.2
168.03041	17.0
169.03461	1.0
170.04596	10.3
196.02533	89.4
197.02820	3.4
203.07426	3.1
214.03578	5.5
220.10120	2.1
239.61839	1.1
250.72029	1.2
286.11337	1.6
302.10590	4.2
330.10181	11.9
331.10474	1.1
348.11166	6.9
349.01151	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	348.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
59.01381	5.2
63.39202	1.1
66.03476	1.5
69.30838	5.4
71.05025	4.1
73.04082	1.1
74.67631	0.9
80.05048	5.0
82.02977	9.1
83.01396	6.3
83.03299	1.2
83.05028	5.4
86.02496	2.3
87.00844	1.2
87.02724	3.3
96.04559	5.0
98.02483	27.4
98.06107	5.5
98.21922	1.4
99.00883	1.6
101.02442	1.5
108.04570	20.5
114.05621	5.1
117.03457	1.0
122.06100	1.5
124.04050	13.4
126.05620	9.1
127.00368	3.8
131.05371	1.7
133.06938	100.0
134.07224	2.1
142.05087	3.1
152.03540	21.2
168.03040	13.9
170.04623	11.5
196.02516	84.7
197.02785	2.7
214.03603	6.2
220.10107	2.1
246.97365	1.1
286.11252	1.8
302.10568	4.4
313.25739	1.2
330.10159	12.3
348.11215	8.9
348.15366	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	348.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
59.01377	3.7
62.75230	0.7
64.48282	0.8
66.03480	1.3
67.16221	0.8
70.02970	0.8
71.05017	3.5
71.20782	0.8
77.73513	0.7
79.95743	0.9
80.05061	5.4
80.96517	1.2
82.02985	9.7
82.06638	1.1
83.01403	6.1
83.05013	5.3
86.02499	1.3
87.00869	0.9
87.02739	3.4
88.80551	0.8
96.04563	6.5
98.02487	28.0
98.06152	4.9
99.00863	1.0
99.04466	0.8
103.67744	0.7
107.50445	0.8
108.04569	21.4
124.04063	13.8
126.05625	12.1
127.00400	3.2
131.05371	1.6
133.06947	100.0
134.07285	2.4
142.03334	2.0
142.05103	3.0
152.03543	24.4
153.03848	1.9
168.03030	12.8
170.04610	14.2
196.02528	94.9
197.02849	4.1
203.07532	1.7
214.03593	5.9
220.10197	2.6
244.12720	0.8
250.48164	0.8
286.11066	2.5
302.10590	4.2
330.10217	11.9
331.10504	1.1
348.11185	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	348.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98833	100.0
63.99256	0.9
68.80189	0.3
69.78130	0.9
78.67364	0.3
79.48292	0.4
80.52170	0.3
141.61041	0.3
162.98457	1.2
203.99986	1.1
205.00145	3.4
205.99702	4.3
206.97453	58.3
207.97563	4.3
290.66122	0.3
333.72791	0.4
348.98874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0024
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
58.50590	0.2
66.31445	0.3
67.01881	1.6
70.11137	0.2
77.97874	0.3
79.95737	0.6
90.91032	0.3
95.01380	0.7
127.05524	0.4
128.00336	0.3
136.98770	0.5
138.37979	0.3
139.00380	0.8
146.58530	0.3
151.00316	0.4
151.05484	0.3
153.07155	0.7
155.05098	0.6
167.05005	0.4
169.06622	2.4
171.04547	5.4
171.08025	0.3
173.06029	1.3
181.06531	0.9
183.04532	0.8
185.06078	0.3
195.04500	0.3
197.06108	9.7
197.64812	0.3
198.06490	0.3
199.04022	1.6
213.05591	2.2
217.05011	0.3
223.04024	0.5
224.04750	0.7
225.05577	3.7
239.03481	0.7
240.04320	0.5
241.05074	2.6
267.03018	0.4
268.03662	0.3
269.04559	100.0
270.04907	8.9
349.00241	14.0
350.00583	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	349.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79736	0.3
59.07094	0.3
67.01888	1.3
68.19270	0.3
69.09505	0.6
69.09908	1.4
70.47465	0.3
79.95734	0.5
90.79070	0.4
95.01385	0.7
101.03970	0.4
111.00884	0.3
117.03480	0.3
127.05584	0.4
136.98798	0.4
139.00433	0.5
140.38606	0.3
141.07068	1.0
147.04599	0.4
151.00417	0.3
153.07054	0.4
155.05049	0.8
166.99892	0.4
167.04930	0.4
169.06604	2.2
170.06917	0.3
171.04529	4.3
171.47424	0.3
173.06126	0.8
181.06612	0.9
183.04512	0.6
186.21489	0.3
195.04451	0.6
197.06104	7.7
198.06383	0.4
199.03935	1.5
201.05632	0.3
213.05576	2.5
223.03979	0.4
225.05588	3.5
239.03485	0.5
240.04324	0.7
241.05049	2.8
250.56139	0.3
267.02969	0.7
269.04559	100.0
270.04913	9.1
270.07822	0.6
290.20135	0.3
348.95917	0.8
349.00235	16.9
350.00507	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	349.0024
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
51.32808	0.2
57.84154	0.1
59.01400	0.2
63.02391	1.0
63.76912	0.1
65.00328	6.5
66.00667	0.2
69.52061	0.6
83.01394	3.1
98.22664	0.2
100.49187	0.1
107.01398	11.0
108.01733	0.4
108.99308	0.2
117.03444	1.2
132.02213	0.1
149.02414	0.6
151.00378	28.8
152.00729	1.0
157.06570	0.3
159.04492	0.4
161.02489	0.2
169.01476	0.2
169.06720	0.2
172.06877	0.2
181.06613	0.2
183.04536	0.6
184.72897	0.1
185.02441	0.6
197.06099	0.3
201.05592	0.7
221.42570	0.2
225.05534	1.2
226.05966	0.2
227.03604	0.3
251.03596	0.2
264.02875	0.1
269.04559	100.0
270.04901	8.2
349.00238	7.0
350.00580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0024
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
65.00335	0.3
67.01907	1.5
69.50423	1.3
71.78597	0.3
79.95741	0.6
95.01400	0.9
109.44118	0.3
115.05544	0.3
115.17204	0.3
117.56837	0.3
119.05048	0.4
127.05502	0.6
136.98822	0.5
139.00375	0.5
141.07126	0.7
145.06566	0.3
153.07141	0.3
155.05031	1.0
162.21599	0.3
166.99890	0.5
167.05051	0.6
169.06633	3.1
171.04543	4.4
173.06116	1.4
181.06606	1.2
183.04515	0.4
185.06184	0.4
192.67397	0.3
195.04544	0.7
197.06117	7.8
198.06340	0.5
199.03972	1.6
213.05510	2.4
223.03983	0.6
224.04753	0.8
225.05629	3.7
227.03464	0.3
239.03429	0.4
240.04301	0.9
241.05031	3.0
267.03018	0.7
269.04568	100.0
270.04919	8.1
270.07800	0.5
349.00253	19.5
349.20230	1.1
350.00647	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	349.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19337	0.7
62.68326	0.9
63.02406	1.1
65.00327	6.2
83.01405	2.9
89.76473	0.7
96.35521	0.7
96.96029	3.2
98.21858	2.6
107.01395	10.4
149.06923	0.7
151.00380	29.6
152.00699	1.3
269.04562	100.0
270.04886	10.4
327.78693	0.8
349.00302	5.8
349.06049	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	349.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17591	0.3
61.33489	0.3
61.54856	0.3
65.00324	0.9
67.01891	0.5
69.18053	1.7
70.37743	0.3
73.30803	0.3
83.83288	0.3
93.41748	0.3
95.01397	0.6
98.22713	0.6
123.00890	0.4
136.98843	2.1
139.00360	1.0
141.07115	1.0
143.05002	0.4
145.02954	0.4
149.97432	0.3
157.06671	0.5
166.99934	0.6
167.05101	0.6
169.06609	3.0
171.04543	2.2
171.08159	0.4
179.05185	0.4
194.33119	0.3
195.04506	1.6
197.06104	4.4
199.04057	0.7
213.05579	1.7
223.04015	3.3
224.04576	0.6
225.05530	2.1
240.04262	0.6
241.05095	3.3
251.03517	2.3
269.04568	100.0
270.04886	8.7
277.30048	0.3
349.00232	6.0
350.00348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0025
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
50.20520	0.3
50.48135	0.3
64.29625	0.3
65.00324	1.3
69.13222	1.6
87.75703	0.2
95.01374	0.3
95.14786	0.3
98.21899	0.6
123.00865	0.5
136.98801	2.0
139.00394	0.9
141.07121	0.9
143.05089	0.4
151.05571	0.4
157.06651	0.3
164.98334	0.3
166.99893	0.9
167.04997	0.8
169.06630	3.0
171.04538	1.1
179.04988	0.3
185.06046	0.3
195.04604	1.6
196.05247	0.4
197.06097	2.5
199.04018	0.6
213.05606	1.2
223.04041	3.1
224.04665	0.4
225.05501	0.7
241.05054	2.7
246.34796	0.3
251.03526	1.8
254.37094	0.3
269.04565	100.0
270.04892	8.7
349.00269	5.7
350.00690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92588	0.4
52.00939	0.4
57.95651	0.4
58.37570	0.4
59.01384	8.2
62.96418	4.5
67.97902	0.4
71.01382	1.8
71.01752	0.3
71.02502	0.4
71.65631	0.4
73.02959	1.0
74.02472	1.3
78.95911	5.2
79.95777	0.4
81.03477	1.4
83.04987	0.4
85.02961	0.9
87.05647	0.8
89.02483	0.8
89.47469	0.4
93.03462	2.9
94.99053	0.4
95.01419	0.4
96.95984	0.5
101.02473	1.2
107.25644	0.4
109.02977	0.6
109.06622	0.4
109.97707	0.6
110.98570	0.8
111.04483	0.9
113.02480	0.5
117.03496	0.8
119.03505	0.4
119.05086	0.5
125.00111	100.0
125.06112	0.4
126.00466	0.9
126.99652	0.5
130.08778	1.0
132.02191	0.6
133.02963	1.7
134.03766	7.1
137.02458	2.3
149.06111	1.7
150.81342	0.4
152.34456	0.4
155.03531	1.4
160.01628	0.9
161.04561	0.4
175.04039	0.9
178.02724	1.3
193.05090	8.6
193.06767	0.4
194.05440	0.5
201.12888	1.1
203.10678	0.4
218.98306	20.5
219.13837	0.7
219.98647	0.5
221.09332	1.2
255.06348	0.6
257.04587	1.1
267.08804	0.5
285.04089	0.7
288.16089	0.6
320.15109	1.7
348.19385	0.6
349.01239	1.0
349.09650	0.6
349.16187	0.8
349.19730	0.9
350.16010	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	349.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01828	2.2
59.01385	2.3
65.00340	7.1
68.99823	3.7
69.88025	7.7
73.39404	2.0
82.73499	2.1
83.01393	21.8
87.96648	2.2
91.01898	4.7
98.22726	2.0
99.00911	3.1
101.02470	7.0
107.05020	2.1
108.02169	2.7
109.02947	7.7
109.22207	1.9
111.00911	9.6
113.90045	2.3
117.03487	7.4
123.04541	2.9
125.02455	2.3
127.00351	5.1
131.05045	2.4
133.02954	6.9
133.62134	2.5
134.03746	9.6
135.00897	8.7
135.04492	14.9
143.03510	21.3
151.00394	2.5
158.03769	11.5
159.04517	25.3
161.02461	100.0
162.02771	5.2
163.00398	6.4
167.03508	11.1
175.04028	9.4
177.05585	21.0
182.06915	2.7
193.01424	9.6
195.02980	13.9
201.01984	4.5
201.05510	3.6
203.03571	14.8
211.04001	8.0
221.00969	32.1
221.04549	3.1
222.01332	2.3
227.03525	16.3
229.01442	19.0
233.04597	3.6
239.02014	26.6
245.04559	25.7
246.04759	2.2
247.02501	2.9
255.03003	14.0
261.03992	5.4
261.14920	2.4
263.05569	13.2
269.04620	4.8
273.04062	7.4
331.04666	28.6
332.04959	4.2
349.05704	21.6
349.09341	4.7
349.12878	3.1
350.06232	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	349.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00070	2.0
59.01390	3.8
60.61871	2.0
65.00322	4.9
68.99817	4.4
69.22430	1.9
69.87927	5.4
70.09798	2.0
71.01379	3.5
75.04288	2.1
78.91910	2.5
81.14661	2.3
83.01395	19.4
91.01898	3.1
96.96020	2.4
99.00907	4.4
101.02456	5.4
109.02974	4.4
111.00885	10.0
117.03478	8.2
123.04536	5.8
125.02499	3.0
127.00393	6.3
131.05078	3.0
133.02977	8.5
134.03738	8.2
135.00922	10.3
135.04555	14.0
143.03505	21.1
158.03754	9.9
159.04546	20.7
161.01115	5.4
161.02461	100.0
162.02750	3.4
162.93825	2.0
163.00438	4.5
167.03557	10.1
175.03983	11.2
177.05583	21.9
184.21083	2.2
193.01413	8.5
195.03053	15.6
201.01900	2.8
203.03470	16.6
211.04056	8.4
217.08646	3.0
221.00943	30.3
221.04465	2.7
222.01303	2.5
227.03546	18.5
229.01483	17.1
233.04453	3.0
239.01950	24.7
240.02376	2.5
245.04509	24.0
246.05101	2.3
247.02415	4.3
255.02979	14.3
261.04019	7.4
261.11322	3.6
263.05722	15.0
269.04501	2.9
273.04230	10.8
300.28622	2.1
303.05441	2.1
305.06708	4.3
331.04633	29.3
332.04993	2.9
349.01825	3.2
349.05716	23.8
349.12772	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	349.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.8
64.17181	2.9
70.90108	3.2
71.01389	7.4
72.99309	4.0
73.02953	4.9
79.93925	3.2
79.95734	3.8
80.96529	6.4
81.44821	3.7
83.01406	29.5
84.99344	3.7
87.00883	4.8
93.03444	4.1
96.96052	6.9
99.00876	5.0
99.04553	4.4
107.05104	4.4
109.02988	3.8
111.00917	5.3
112.98830	30.8
115.04008	12.1
117.03481	11.6
121.06571	3.3
133.02988	4.8
135.04570	6.2
136.01683	54.7
147.98389	3.5
151.04016	100.0
152.04428	4.2
154.99878	4.6
158.03809	8.0
159.04506	18.0
161.02464	54.1
161.06154	3.4
171.08180	4.0
173.06078	6.1
173.09796	4.2
175.04016	8.3
199.07527	5.5
201.05524	4.9
203.03427	7.4
217.04929	4.1
217.08728	6.8
229.05226	3.2
232.41905	3.3
243.10298	4.5
245.04587	12.1
261.07739	6.9
287.05743	5.5
305.06836	5.9
305.10425	7.5
305.13953	6.0
349.02066	3.9
349.05792	17.2
349.09348	12.4
349.12952	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	349.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22243	0.8
57.23072	0.7
59.01377	3.7
69.39396	1.7
69.39797	2.4
71.01381	1.8
73.76488	0.7
74.02467	2.0
82.02987	2.0
84.04550	2.8
86.02486	19.2
87.02750	3.2
88.04041	1.7
88.43664	0.7
89.02465	1.2
96.04552	1.0
101.02477	1.1
109.07752	1.1
110.87623	0.7
113.02483	1.4
127.05146	2.4
127.08804	12.2
128.03552	100.0
129.03896	1.6
129.92950	0.8
131.05386	1.8
133.06944	85.1
134.07274	3.3
153.06721	5.3
171.07764	45.6
172.08147	1.4
179.04669	2.7
187.89568	0.8
194.11638	0.9
197.05716	1.2
215.06726	5.2
220.10126	13.0
250.14648	0.8
331.13315	3.3
341.53516	0.8
349.14462	9.5
350.14703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75185	0.9
55.01881	1.4
59.01385	100.0
61.98824	4.6
71.01395	6.2
72.44610	0.9
72.99292	1.3
73.02957	3.4
78.95910	1.1
82.02989	1.4
83.01398	1.9
84.01749	1.4
85.02946	4.1
87.00854	1.2
88.54658	1.2
89.02451	2.9
96.96011	1.8
97.02960	1.2
98.02467	2.4
99.00889	1.8
101.02459	3.3
108.04552	1.9
109.02953	1.3
113.02446	3.4
117.03499	1.1
119.03472	1.1
119.04990	1.3
121.02937	1.1
125.02434	1.1
126.05521	2.0
133.02948	5.4
133.06929	4.5
134.07286	4.3
152.03542	1.7
155.03554	1.3
181.12308	1.3
196.02510	4.8
197.02829	5.2
199.04050	2.3
200.04686	1.2
211.13441	2.5
215.11064	1.3
217.10909	2.2
227.10989	2.0
229.14436	1.6
241.05038	2.7
245.12109	5.9
257.04514	1.8
263.13156	10.0
269.04410	2.1
285.03995	4.7
295.58499	1.2
313.03473	1.2
349.01263	4.1
349.15054	3.1
350.16379	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	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38989	1.1
59.01385	100.0
61.98828	3.8
64.31645	1.2
65.25661	1.2
69.03475	1.6
69.41590	5.4
69.56738	1.2
71.01391	5.5
71.05028	1.5
73.02943	3.2
78.37849	1.2
82.03005	2.7
83.01438	2.6
85.02953	3.4
89.02441	3.3
96.95984	1.7
98.02486	4.5
98.22704	1.7
99.00889	2.3
101.02450	3.6
108.04540	2.9
109.02929	1.5
109.04919	1.9
113.02464	2.8
121.02979	1.5
122.06133	1.9
123.00911	2.9
124.04031	1.7
125.04338	1.5
126.05581	1.8
133.02980	7.7
133.06935	8.3
134.07281	5.5
135.06503	2.6
150.05667	2.6
151.00418	1.7
152.03526	3.0
153.03860	2.3
155.03529	3.2
163.37451	1.4
168.02998	2.3
196.02528	12.1
197.02890	8.3
199.04126	1.3
211.13327	2.5
217.10753	4.0
227.11104	2.0
245.12091	5.0
257.04529	3.0
263.13287	5.9
265.56619	1.4
269.04501	3.1
271.02411	1.6
285.03992	3.0
307.52936	1.4
313.03452	2.5
331.10703	2.0
349.01062	5.1
349.14066	1.5
350.16330	4.9
363.76550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64721	0.8
59.01387	100.0
65.03413	1.1
69.12888	6.6
71.01387	3.4
73.02964	1.2
83.01395	1.3
85.02978	2.3
85.18475	0.9
89.02484	1.2
93.03468	1.0
98.22629	2.2
101.02464	3.9
130.08743	1.2
135.04465	1.3
135.06448	0.9
135.85228	0.8
161.04518	1.8
167.11230	1.0
250.15401	0.9
266.87006	0.9
307.17712	3.6
328.36948	1.1
342.39365	0.9
349.16599	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2022
Annotation	Havardic acid D
Peak:m/z	Relative Intensity
56.81015	0.5
59.01363	0.6
69.03459	0.9
69.26127	3.2
69.44466	0.7
75.10452	0.5
78.95912	1.2
79.95753	0.7
80.26204	0.5
81.26015	0.5
86.06679	0.5
90.35633	0.5
123.08142	0.6
135.04515	0.5
149.09785	0.9
189.12944	0.8
199.13971	0.5
205.16023	1.1
239.55943	0.6
245.19153	1.1
259.20654	2.0
274.48193	0.6
305.21246	100.0
306.21603	10.3
349.20221	83.6
350.16696	0.8
350.20642	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	349.2024
Annotation	Havardic acid D
Peak:m/z	Relative Intensity
57.03442	1.7
58.94553	1.2
59.01370	1.3
101.08311	1.1
119.05016	1.7
122.89626	1.4
131.41824	1.0
143.86629	1.1
166.68188	1.1
222.08867	1.3
235.16512	1.1
245.19151	1.8
259.20645	2.3
261.22299	7.3
262.22720	1.5
269.04538	2.7
284.15591	1.2
287.20309	3.8
305.21240	57.6
306.21622	6.0
331.19250	2.5
349.20209	100.0
350.06424	1.2
350.20496	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	350.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
79.07341	0.9
80.68795	0.8
116.28441	0.8
135.04521	2.3
151.00392	1.8
161.00267	0.7
177.86462	0.8
198.06229	0.8
226.95326	0.8
270.04837	2.9
344.97861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11406	0.3
59.01367	0.4
69.03474	0.5
69.39545	0.3
69.44555	1.2
75.02377	0.4
78.66969	0.3
79.01894	0.5
81.03469	6.4
92.05045	0.3
97.02971	0.3
98.21892	0.5
103.01890	0.5
105.65748	0.3
106.02972	0.5
107.01393	10.7
118.02995	0.4
120.04595	2.4
122.02480	3.2
125.02457	0.6
131.01389	1.3
146.02498	8.1
147.02887	0.4
150.01976	36.8
151.02313	1.2
158.02489	0.5
159.00903	1.0
164.03554	1.2
171.04506	0.7
174.01974	28.4
175.00377	0.4
175.02316	1.6
178.01372	0.3
202.01462	1.7
202.99887	0.6
203.01665	0.3
204.15808	0.3
218.01044	0.6
239.57295	0.3
246.00441	100.0
247.00778	6.9
263.07233	0.4
270.04926	0.6
307.06363	0.4
308.05582	1.3
350.06705	20.0
351.07095	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	350.1036
Annotation	Imerubrine
Peak:m/z	Relative Intensity
55.15978	0.9
59.01384	1.0
60.18699	0.9
65.00317	3.7
71.53965	1.0
72.97884	0.9
80.05051	2.1
93.03461	12.2
98.21852	3.1
116.05051	3.0
117.03516	1.5
118.06651	3.0
119.05037	58.3
120.04550	7.8
120.05307	1.9
142.06596	4.2
144.04568	29.2
145.02953	2.3
145.04922	1.3
158.06110	3.2
160.04036	1.8
162.05605	10.4
168.04436	1.2
186.05637	9.7
187.03987	1.3
192.95813	2.3
219.95303	1.1
221.12538	1.0
230.04594	66.7
231.04802	4.7
244.06142	3.0
256.06210	11.3
286.97672	1.2
350.10349	100.0
351.10767	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	350.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
59.08063	0.9
61.98832	11.6
64.90942	0.8
69.14732	4.7
70.42986	0.7
79.95745	2.2
82.88905	0.9
96.96022	88.5
129.20688	0.8
144.20255	0.9
173.63226	0.8
192.95831	1.2
265.14810	100.0
266.15222	6.4
279.64560	0.8
311.16882	2.0
313.17825	1.7
314.18277	1.4
335.55206	0.8
350.12637	7.3
351.12958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0183
Annotation	5,7,4'-Trihydroxyflavanone 7-sulfate
Peak:m/z	Relative Intensity
65.00326	2.2
69.96164	1.2
80.18616	0.6
80.85249	0.5
95.01376	0.9
96.99337	0.5
108.02218	0.8
111.00864	3.2
123.00893	1.4
124.01675	7.0
136.01666	2.7
136.98840	3.0
139.00412	5.8
152.01178	7.1
157.06598	0.9
164.98247	1.1
166.99852	3.8
171.04495	0.9
171.08228	1.0
172.04953	0.7
173.06058	1.5
180.00671	0.6
181.06622	0.8
185.06140	1.9
199.07689	0.9
201.05537	1.0
204.20580	0.6
209.06105	0.8
225.05574	4.5
227.07156	2.3
229.05101	0.8
243.06639	30.2
244.07011	2.4
253.05070	6.2
254.05573	0.5
269.04614	6.8
270.04901	1.2
271.06146	100.0
272.06497	7.3
307.29587	0.5
334.10822	1.0
351.01859	9.7
352.02069	0.8
352.08270	1.9
352.12595	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02692	0.5
55.73188	0.5
57.09503	0.5
65.00315	2.3
69.16488	3.3
91.11209	0.5
95.01419	1.2
96.99363	0.5
108.02162	0.8
109.02969	0.5
111.00875	3.2
123.00871	0.7
124.01672	7.7
136.01675	2.7
136.98828	3.0
139.00385	6.3
142.88280	0.5
148.04062	0.5
152.01152	6.2
157.06639	0.5
164.98312	0.7
166.98798	0.4
166.99916	4.3
169.06619	0.5
171.08191	1.1
173.06052	2.1
180.00607	0.6
181.06581	0.8
185.06015	1.1
193.01462	0.8
196.60132	0.5
197.06157	0.7
199.07727	1.2
201.03357	0.6
201.05624	0.7
209.06070	0.9
225.05634	3.3
227.07150	1.9
229.05045	0.7
243.06633	27.6
244.06967	2.7
253.05089	5.7
263.46967	0.7
269.04611	6.1
270.05002	0.7
271.06128	100.0
272.06476	8.2
301.30194	0.5
351.01801	12.7
352.02078	1.0
352.08459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44000	1.2
56.05728	1.2
57.03447	2.3
57.48901	1.0
58.57007	1.1
59.01384	34.8
68.99820	2.1
69.03468	1.3
71.01374	2.8
72.99314	14.0
73.02959	2.4
78.58278	1.2
80.96527	2.4
81.03465	1.6
83.01399	1.7
83.05013	1.7
85.02961	4.8
87.00889	18.2
89.02408	1.3
93.03475	1.9
95.01383	3.4
95.04999	2.0
96.96016	2.5
96.99310	2.0
97.02958	1.6
99.00887	2.2
100.98828	3.7
101.02424	1.4
107.01450	1.1
107.05070	2.0
108.02186	2.9
109.02983	10.5
110.02446	1.3
111.00957	1.3
111.04527	1.8
112.98821	100.0
113.02476	2.0
113.99120	2.0
114.05619	1.4
115.00385	2.4
115.06908	1.1
117.03487	2.6
119.05043	2.0
121.02907	1.2
121.06645	1.9
123.00858	1.2
125.02448	9.8
128.98311	4.8
130.99904	3.2
133.02965	3.4
133.06589	2.0
135.04538	4.9
136.07753	1.6
136.22372	1.1
137.06090	2.4
138.02000	4.5
139.04082	1.3
140.98332	12.4
145.03015	1.5
145.06598	2.3
147.04506	2.1
147.08165	1.7
149.06102	2.2
154.02676	1.2
157.01440	17.0
157.06590	2.3
157.28632	1.2
158.99374	1.7
159.04553	2.3
159.08156	2.5
161.02428	8.2
163.07721	2.3
165.05586	15.4
169.01559	1.6
173.02338	1.3
173.06102	2.0
173.09698	2.2
175.04002	1.6
175.07655	3.0
175.11258	1.8
181.01408	3.5
182.02223	1.9
184.97293	19.7
187.07657	1.4
189.01859	1.3
189.05612	1.9
191.03455	1.3
191.10823	1.7
201.01947	3.4
201.05582	1.2
201.09227	2.0
201.12860	2.7
203.03400	1.2
209.00928	3.7
217.12413	1.4
218.04581	2.9
219.06628	3.0
219.10370	2.6
219.13696	1.5
227.10988	1.2
237.05608	1.4
241.03563	38.7
242.03966	1.4
245.08116	3.0
245.11868	3.1
256.29749	1.2
259.02438	2.2
263.09354	3.1
263.12845	4.2
269.04550	3.2
277.03613	2.7
280.06110	2.0
307.08276	5.5
307.12137	5.4
307.15488	2.5
308.05606	2.6
319.04578	10.5
333.10208	1.4
351.03580	2.6
351.07193	18.0
351.10962	14.2
351.14624	4.2
352.06674	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	351.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79638	15.1
52.74277	13.1
56.74348	12.5
59.01375	100.0
59.72508	13.3
63.04383	12.3
71.01405	17.8
71.40242	18.7
93.03468	16.3
96.96042	21.0
109.02954	32.5
113.02399	13.6
117.03480	16.8
129.80977	15.7
133.09607	13.9
136.04025	19.1
149.06319	15.4
153.81554	14.0
157.06488	12.9
167.61334	15.9
192.95844	37.7
200.55750	12.1
208.66531	13.2
219.06557	17.4
351.03519	16.4
351.07196	56.5
351.10846	29.6
352.08170	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	351.0878
Annotation	Candidusin A
Peak:m/z	Relative Intensity
57.97573	0.8
59.01395	0.8
68.99808	0.7
91.38896	0.5
93.03465	5.0
109.57198	0.6
117.03478	33.7
118.03812	1.7
119.05032	1.8
132.02130	0.8
133.06595	1.5
135.04489	0.7
145.02965	1.5
159.04617	1.4
160.01718	1.1
161.02467	1.5
161.06120	0.8
165.05563	1.3
167.05048	0.8
174.03215	2.6
175.03938	0.6
175.07697	0.9
175.37820	0.6
176.01158	0.6
177.05598	1.3
179.05011	0.8
187.03986	2.1
188.04733	0.9
189.02003	0.8
189.05592	5.4
192.95915	1.6
195.04601	1.6
202.02725	5.6
203.07166	1.2
204.00688	0.7
205.05051	1.6
211.16118	0.6
213.05594	1.3
223.04056	1.1
229.05115	0.7
229.11803	0.6
231.06636	4.6
231.08589	0.7
233.04578	1.7
237.05591	0.8
245.58699	0.6
250.06192	0.7
251.03600	0.7
253.01451	0.5
261.03668	0.5
263.07199	1.0
264.07770	0.7
266.05835	1.1
268.03796	0.7
277.05096	0.7
279.03055	0.9
279.06586	0.9
279.10233	0.7
281.04413	0.9
292.07474	0.8
293.04669	1.3
294.05051	1.3
305.04688	0.7
307.06284	5.5
307.09619	1.0
308.06763	1.2
315.00626	2.8
321.03998	0.9
322.04947	3.3
323.09277	1.1
336.06363	0.9
351.08759	100.0
352.09073	10.7
352.12280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.1
65.00307	0.5
66.06490	0.4
71.42037	0.4
72.70464	0.4
81.39230	0.4
88.53920	0.4
96.96012	0.5
105.03478	0.6
109.02971	0.5
117.03452	0.4
119.05008	1.9
125.02444	0.4
126.32034	0.4
131.05026	1.2
132.02184	3.2
133.02971	100.0
134.03304	3.8
135.04544	0.6
145.02917	0.5
147.04527	1.5
158.03650	0.6
161.02475	0.4
163.04047	0.6
169.03011	0.6
173.06062	1.5
174.03242	5.9
175.04021	91.7
176.04344	4.2
182.03821	0.7
187.04102	0.4
197.06099	9.5
201.01970	2.8
208.41707	0.4
215.07149	6.4
216.54247	0.4
248.04996	0.5
249.05629	1.5
250.06297	0.6
261.09351	0.6
263.07062	1.2
263.09671	0.4
264.08118	0.5
277.05136	0.9
277.08383	0.6
279.10306	1.7
289.08905	0.6
304.03802	0.5
305.04544	1.1
305.08014	0.9
307.09793	1.0
322.04840	0.7
333.07687	5.9
334.07996	0.8
351.08771	41.9
352.09073	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	351.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74950	0.4
59.01378	0.6
63.43535	0.4
93.03475	0.5
95.05064	0.4
107.72030	0.4
109.02969	0.5
115.01914	0.5
117.03461	2.3
117.07102	0.6
121.06602	0.9
132.02199	3.3
133.02975	100.0
134.03291	3.5
135.04520	2.2
145.02951	1.1
158.03854	0.6
159.04514	0.5
161.02457	0.9
163.04002	0.8
171.04468	0.9
173.02449	1.7
174.03261	3.7
175.04028	11.1
176.04410	0.7
182.03754	0.5
187.04018	1.6
187.07697	0.7
188.04768	0.7
197.06085	4.0
198.03291	0.9
199.03976	0.7
200.04906	1.0
201.01965	7.1
211.04048	1.6
215.07143	7.5
216.07590	0.6
219.18938	0.4
221.06078	0.6
225.05476	0.5
235.07733	0.6
236.08539	0.6
237.05499	0.9
238.06425	0.5
242.02251	1.5
246.06876	0.7
248.04831	0.5
249.05594	5.3
250.06367	2.5
251.06961	0.6
261.09079	0.6
262.06415	0.7
263.07144	6.8
264.07898	3.3
265.05084	0.9
275.03574	0.5
277.05103	0.8
277.08679	0.6
278.05460	0.4
279.10294	17.0
280.10559	1.1
289.08813	0.5
293.04639	0.9
305.04926	0.5
307.09781	2.2
321.04156	0.6
322.04749	0.9
323.09280	2.9
333.07660	5.0
334.07867	0.8
351.08771	81.4
352.05069	0.7
352.09109	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	351.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21192	0.4
65.00342	0.8
65.03957	0.6
69.15778	2.3
73.67861	0.3
83.01398	0.4
87.06253	0.3
93.03446	0.4
104.02660	0.4
105.03457	0.7
109.02967	3.5
111.00867	0.5
115.01914	0.4
117.03490	2.6
119.04999	0.6
120.93183	0.3
121.06599	0.6
132.02202	3.0
133.02972	100.0
134.03290	4.2
135.04520	1.2
143.08626	0.4
145.02982	0.8
145.06563	0.6
146.03746	0.5
147.04567	0.4
153.01947	2.3
159.04565	0.4
161.02466	1.6
163.04021	0.8
171.04527	1.0
173.02415	0.8
174.03226	3.7
175.04028	10.5
177.01981	0.8
182.03709	0.6
185.02428	0.4
187.04039	1.6
188.04829	0.7
197.02844	0.4
197.06075	4.7
197.07719	0.4
198.03256	0.7
200.04803	0.5
201.01959	6.9
201.05417	0.5
202.02310	0.4
203.03552	0.5
211.04027	1.1
215.07149	7.9
216.07449	0.5
221.06180	0.4
231.06386	0.3
235.07751	1.1
237.05582	0.5
238.06320	0.4
242.02289	0.9
246.06963	0.7
248.04831	0.6
249.05612	5.5
250.06316	2.4
251.07280	0.5
261.05566	0.4
261.09183	0.9
263.07111	6.1
264.07916	3.2
265.05109	0.6
267.03271	0.3
268.03830	0.5
269.04480	0.8
270.01642	0.4
271.06079	0.5
277.05182	0.5
277.08707	0.8
278.34897	0.3
279.10269	14.5
280.10556	1.2
289.08835	0.5
293.04599	1.0
294.05310	0.8
305.04642	0.7
305.07999	0.4
307.09750	1.2
308.05951	0.3
322.04941	1.1
323.09372	2.8
333.07709	3.7
334.08206	0.5
351.08774	77.9
352.09097	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	351.0988
Annotation	(-)-Monorden E
Peak:m/z	Relative Intensity
51.43294	0.7
57.67883	0.6
61.69409	0.6
65.00328	3.6
65.99830	1.4
68.99833	0.9
82.02976	1.3
96.20015	0.8
97.04082	3.1
98.02477	4.7
100.08557	0.6
109.04037	1.2
120.00933	2.8
132.04570	0.9
133.01649	0.8
133.02940	0.7
135.05655	2.9
137.03581	38.6
138.03967	0.9
140.52956	0.7
145.06601	1.3
160.04068	1.5
161.03622	0.8
163.00404	0.9
164.98268	1.6
165.00650	1.9
171.04532	3.8
177.01918	1.2
179.04634	22.2
185.06050	0.8
189.00673	2.5
192.03114	0.8
203.04683	3.9
210.05621	0.9
226.08710	0.9
228.06546	0.7
230.21086	0.7
237.66367	0.7
242.08246	2.1
247.03632	10.7
248.01886	1.0
252.06740	1.7
253.05005	1.0
269.04645	3.7
270.07724	7.6
271.06042	0.9
273.05069	2.0
281.02921	0.7
281.09241	1.4
293.07043	1.2
309.08911	5.8
333.08612	0.9
334.07306	1.1
336.06375	2.9
351.09848	100.0
352.04330	1.0
352.10040	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	351.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17499	1.9
59.01386	5.4
65.00325	9.9
67.01901	19.9
67.03014	4.6
68.99821	16.4
69.03477	2.4
71.01385	3.6
72.99317	6.1
73.02952	8.8
81.03481	2.8
82.02980	2.9
83.01433	2.7
83.05070	4.1
85.02951	4.9
87.00900	4.0
91.39047	1.8
92.99855	4.3
93.03474	3.2
95.05058	3.0
96.96041	5.1
96.99261	2.3
97.02983	3.7
97.04098	4.4
99.00861	2.9
99.04533	2.4
101.02499	2.9
102.51325	1.9
105.04598	6.9
107.02525	35.0
109.02959	4.0
109.04085	2.6
110.00114	14.9
110.82432	2.0
111.04533	6.5
117.03451	4.2
118.03057	2.6
119.05067	2.3
120.00134	2.2
125.02454	3.9
129.04611	20.2
131.05046	2.7
133.03075	4.0
133.04092	34.5
133.06628	2.7
135.02016	20.8
135.04553	3.1
136.04092	2.7
136.98813	12.0
137.99615	7.4
139.04021	8.8
141.01991	2.3
141.04596	65.2
142.04985	3.0
145.06631	14.5
147.05681	4.1
147.08168	4.9
151.00520	2.3
157.04082	87.2
158.04543	2.7
159.02031	5.5
161.03607	3.9
161.06091	5.0
164.98282	25.6
165.99104	12.3
169.06520	2.4
171.04494	15.5
171.05653	1.7
171.08160	3.1
173.03604	4.5
173.06071	30.5
174.04440	3.8
174.06476	2.4
175.05222	6.4
177.01869	3.5
181.06535	2.7
183.05681	28.2
185.03595	19.8
185.06105	2.8
189.05429	2.7
197.06104	2.9
200.02126	2.8
201.03076	74.7
201.09230	3.1
202.03467	4.6
203.04839	2.9
203.07158	4.2
211.01392	2.8
215.07175	25.8
217.06139	5.0
220.02657	2.7
224.02132	2.9
227.01030	63.3
227.04590	8.4
227.06828	4.0
228.01350	6.4
229.02550	43.9
230.02824	2.2
241.05095	8.9
242.03333	9.5
243.06335	2.1
245.05704	3.1
245.08180	3.3
247.03648	6.3
253.05188	2.6
261.10416	7.5
263.08267	6.7
263.12891	3.8
269.04568	67.4
270.05316	11.0
271.06149	6.2
281.09091	7.3
287.08276	2.8
287.28479	2.0
289.09854	43.1
290.10324	4.5
291.07376	3.6
305.09351	43.2
305.12601	4.2
306.09756	3.6
307.12033	3.6
307.15640	2.7
315.07745	13.1
333.08841	100.0
334.09393	13.1
351.10391	46.8
351.14545	8.6
352.07944	20.4
373.16068	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	351.0988
Annotation	(-)-Monorden E
Peak:m/z	Relative Intensity
62.94279	0.7
65.00325	2.9
65.99848	1.5
68.99815	2.0
69.34522	3.3
77.96296	0.8
82.02986	1.5
97.04093	5.1
98.02494	4.2
109.04086	2.4
120.00932	1.6
121.04087	1.6
122.02497	1.2
131.98169	0.7
133.01704	1.3
133.40352	0.7
135.05647	2.6
136.00568	0.8
136.04044	1.3
137.03583	51.3
138.03905	1.7
145.01740	1.1
145.06586	2.6
148.03944	0.7
159.05579	0.8
160.04030	1.8
161.01213	1.6
164.98271	1.7
165.00661	2.8
166.06528	0.7
169.06598	1.6
171.04535	7.0
172.05190	1.0
179.04630	22.1
180.08086	0.9
184.07747	0.9
189.00673	5.8
202.01457	1.3
203.04671	3.6
210.05493	0.8
213.05603	1.0
224.07306	0.7
225.05627	1.1
226.08672	2.9
228.06665	1.1
230.00830	0.8
239.03464	0.8
240.06627	1.5
242.08217	3.4
247.03595	7.5
252.06711	4.7
265.09903	1.7
266.08362	0.8
267.03018	1.4
268.06277	1.0
269.04523	4.3
269.06860	1.3
270.07709	5.2
293.06946	3.1
305.09360	0.8
307.10959	1.4
309.02509	1.7
309.08823	4.0
322.74774	0.7
334.07135	1.5
351.09863	100.0
352.10120	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	351.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51081	0.5
59.01384	33.9
67.09840	0.7
69.48037	2.5
71.01389	12.2
71.61151	0.6
73.02950	10.1
75.10268	0.6
83.01370	1.8
85.02979	3.8
87.00873	1.8
89.02461	7.1
92.05048	1.1
99.08212	0.7
101.02444	8.7
101.60799	0.7
113.02448	4.4
118.02986	1.0
119.03500	2.4
120.04562	1.7
125.02554	0.7
127.07664	100.0
128.03505	1.1
128.08012	4.3
131.03687	0.8
132.04550	3.4
135.04626	0.7
136.07652	0.7
144.04564	3.2
145.08704	1.1
146.02510	5.9
147.03279	19.9
148.04091	3.4
149.02460	2.5
160.01976	0.7
160.04041	14.5
161.04596	1.2
164.04839	1.7
171.06647	74.7
172.04053	3.6
172.07019	3.5
174.05617	2.0
177.02007	0.7
179.07140	2.5
186.05659	1.4
195.06630	0.9
202.05147	2.4
205.05081	0.8
214.05130	3.2
276.51764	0.6
277.08212	0.9
292.08237	1.6
307.13495	2.1
310.09256	1.5
312.00720	0.7
351.12964	37.5
351.16660	3.5
352.10086	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	351.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33375	0.4
59.01381	2.2
69.38995	2.1
71.01383	0.6
72.00916	13.3
72.81360	0.4
86.41990	0.4
91.05540	1.7
101.02472	0.5
113.02419	0.6
128.83592	0.4
147.04535	38.6
148.04875	2.0
152.03499	0.7
164.07179	100.0
165.07506	5.2
187.98825	0.9
351.08929	0.7
351.13269	11.4
352.13641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
70.06639	1.6
70.06962	1.4
72.36325	1.1
91.42772	1.0
135.04562	2.0
179.48682	1.0
251.05421	1.2
307.19116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1709
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01383	4.3
60.24227	1.1
69.08724	4.5
69.09151	4.9
69.22739	1.2
71.01364	1.3
74.96182	2.6
75.00881	10.8
81.07155	1.2
96.96003	1.2
109.69577	1.2
121.10236	9.8
171.10294	21.2
185.11815	1.7
192.95982	1.8
212.59573	1.4
229.04872	3.5
251.05710	1.2
275.20172	24.3
276.20508	2.8
293.21243	17.8
346.41235	1.3
351.17093	100.0
352.17511	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	351.1815
Annotation	Tagitinin D
Peak:m/z	Relative Intensity
50.11876	0.7
55.31561	0.6
57.03457	6.1
59.01375	2.5
69.03476	4.7
69.44104	3.3
71.01382	2.9
71.05053	0.7
73.02937	0.9
75.00862	1.2
79.41511	0.7
83.05035	2.2
83.40656	0.7
85.02968	2.8
85.44969	0.7
87.00912	0.8
89.02485	0.8
96.62962	0.7
101.04081	0.7
109.06577	1.2
113.02449	2.2
118.08006	0.6
121.06602	1.2
123.08131	1.2
125.06065	1.0
135.04517	0.7
135.08209	1.6
137.06078	0.8
137.09717	2.5
149.09763	2.0
161.09726	4.3
163.11302	1.9
165.12767	0.9
173.09676	1.6
175.11304	1.9
189.12848	3.8
191.09113	1.4
191.10793	10.2
191.14412	2.1
193.03532	2.5
193.12354	2.5
193.15988	0.7
203.14325	0.7
205.12367	2.8
207.13971	4.9
215.14442	1.1
217.15935	6.4
219.17699	1.0
243.17557	6.7
245.15482	1.2
246.16234	1.2
247.17047	5.5
250.32423	0.9
253.04898	0.7
261.18582	14.2
262.18976	1.5
263.20258	11.5
264.20450	0.8
277.21692	0.8
307.19177	100.0
308.19537	11.1
329.14182	2.3
339.47214	0.8
351.18146	87.4
351.63892	1.2
352.18484	10.6
358.62823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2181
Annotation	Neorustmicin D
Peak:m/z	Relative Intensity
51.65767	0.9
56.84429	0.9
57.03445	2.3
57.88729	1.1
59.01381	1.2
65.39188	0.9
69.03464	8.8
83.05033	79.1
97.06568	2.3
111.08113	2.4
123.08179	1.5
133.06641	1.2
135.00964	1.3
135.04532	2.4
149.09674	1.7
149.96272	1.0
153.12871	2.8
155.08714	1.7
163.11148	1.0
165.12846	2.6
169.10265	2.4
171.11812	2.2
183.13945	1.6
185.13321	5.2
187.11272	8.4
188.11647	1.4
189.12869	4.6
195.41139	1.1
199.14951	2.1
201.16527	4.5
217.15968	1.4
237.16510	1.5
243.17534	1.3
253.19614	1.8
255.17590	11.0
259.20465	2.0
266.44110	1.1
271.20718	2.6
273.18674	9.5
274.18976	1.5
289.21704	1.7
307.22830	1.6
351.21783	100.0
352.22055	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	352.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
60.50342	0.9
63.27026	0.9
63.31184	1.0
65.00331	2.6
65.03967	1.5
68.99821	5.1
79.64059	0.9
81.03479	1.0
83.01398	1.3
86.19794	0.9
89.04003	1.0
90.84088	1.1
93.03453	9.9
96.96035	1.5
98.02491	1.5
101.04015	2.1
108.04552	1.3
109.02979	2.4
110.00119	3.1
110.02491	2.4
113.87251	1.0
117.03465	5.7
121.02973	1.3
123.00860	1.2
131.05022	1.1
133.03015	2.0
135.04489	1.7
136.04057	28.6
137.02472	1.2
138.02005	1.4
143.05080	2.4
145.06596	1.2
147.04532	1.7
151.02721	1.2
152.03526	1.2
156.72371	1.1
159.00928	1.6
161.02428	2.6
163.00359	1.5
164.98305	6.1
165.05678	1.2
165.99026	1.5
166.01460	2.7
171.04541	21.2
172.04924	2.0
173.06102	1.9
176.03641	1.1
177.01962	2.9
180.03047	2.0
185.05991	1.4
191.08733	2.9
192.02921	1.1
195.08264	1.4
202.46193	0.9
202.99927	1.1
203.01938	1.1
207.08206	2.1
209.09700	1.8
217.06680	1.5
219.08153	4.0
220.02452	2.0
221.06091	2.4
221.09581	1.4
223.07645	3.0
225.05630	1.7
226.08844	1.3
227.07210	1.4
232.89471	1.0
235.07643	7.2
237.09196	5.9
239.07248	2.4
241.05098	1.5
242.08322	3.1
247.07645	6.0
248.02043	2.0
250.06482	1.0
251.07193	2.0
252.06763	3.0
253.08769	2.5
263.07141	4.3
265.05615	1.7
265.08716	16.3
266.08563	1.5
269.04593	15.3
270.05106	3.1
270.07697	18.8
279.06711	1.7
280.09705	2.1
281.08142	5.5
284.88483	1.2
290.08298	1.8
291.06622	13.3
292.06979	1.2
307.06146	10.6
308.09488	6.8
309.07666	1.6
324.08826	7.0
334.07095	2.6
335.05652	3.9
352.08276	100.0
353.08633	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	352.1042
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.88205	1.8
59.01387	82.5
61.14453	1.6
69.27502	10.4
70.70020	1.7
71.01388	22.3
73.02585	2.6
73.02956	48.7
83.01398	10.2
87.00861	7.7
89.02433	6.4
92.05033	7.9
101.02452	25.3
105.58516	2.0
113.02476	9.7
116.05010	4.1
118.02968	5.2
120.04531	5.9
127.07663	16.6
128.07991	15.4
131.03610	6.7
132.04573	17.9
144.04573	16.7
145.20088	1.7
146.02495	32.3
146.06053	2.0
147.03282	100.0
148.04094	12.0
150.05603	4.5
158.06044	4.7
160.04063	73.3
161.04422	6.1
165.05087	2.3
165.11288	1.9
171.06635	12.2
172.04047	15.3
172.07028	13.0
174.05580	10.3
178.05072	2.5
179.02187	3.8
186.05499	8.4
196.03986	2.3
202.05138	16.3
205.05031	2.6
214.05115	18.3
246.97247	2.0
292.08221	3.7
310.09232	6.6
352.10202	64.3
353.10455	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	352.119
Annotation	Imeluteine
Peak:m/z	Relative Intensity
61.76337	0.5
61.98820	0.9
66.24921	0.4
67.25681	0.4
70.98499	0.6
82.00597	0.7
83.01391	0.8
94.02985	4.8
95.01387	1.7
108.02196	6.8
110.00101	1.2
111.00882	1.1
117.02741	0.5
117.03429	2.3
118.04253	1.9
121.02966	1.3
123.00878	5.1
124.01675	39.4
125.02031	1.3
133.02983	0.8
134.03751	1.1
134.71629	0.5
143.05042	0.9
145.02975	1.4
146.03738	2.4
159.04532	7.6
160.05359	1.1
161.02452	0.7
171.04532	6.0
172.05312	25.1
173.02408	0.8
173.05623	1.5
174.03204	0.6
187.04016	20.8
188.04764	7.3
189.05310	0.5
199.04076	3.2
215.01572	0.8
215.03525	5.9
216.04277	55.9
217.04620	3.9
257.08179	5.9
258.08502	0.6
273.50009	0.5
283.14133	0.5
352.11914	100.0
353.12296	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	353.067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79205	2.2
65.00310	3.9
68.99813	10.8
69.34544	13.1
78.01114	2.9
91.01903	6.0
93.03455	7.3
94.02958	2.2
95.01436	2.2
97.77892	2.4
104.44928	2.2
105.03502	5.4
106.67488	2.2
108.02167	4.3
117.03474	2.6
119.01334	2.9
120.39739	2.2
121.02988	21.2
123.00889	9.8
123.04546	12.1
124.01691	16.4
125.02036	5.5
133.02965	4.2
134.00137	9.1
137.93764	1.9
143.05042	4.2
145.03004	4.5
146.03755	8.7
147.04517	3.2
148.01631	4.2
149.02472	35.2
159.04552	4.2
160.04913	3.1
161.99597	10.9
164.98361	4.7
165.07123	4.2
167.10780	2.5
171.04512	4.0
172.05128	8.6
173.05663	3.8
177.01945	6.5
177.07069	3.0
177.99078	8.4
178.07826	2.7
187.04066	5.8
188.04463	4.8
189.99049	3.6
191.08667	3.4
193.06621	12.9
195.08116	8.0
204.05904	2.7
205.06586	9.2
206.07402	54.7
207.08147	41.2
208.08571	4.6
209.06100	9.2
209.09712	4.3
211.07802	3.0
216.04260	18.5
217.04665	14.7
217.06456	4.0
219.08192	7.2
221.06154	22.3
221.09802	3.6
222.06772	9.4
223.07634	14.8
225.09195	5.8
232.05365	4.2
233.06081	7.2
235.07675	13.3
236.08183	2.8
237.05621	4.7
237.09253	15.4
238.06351	2.9
239.07101	7.0
249.05528	18.9
250.06256	8.7
251.07111	12.1
253.08717	16.0
265.08740	24.1
266.05881	5.3
266.09015	5.1
269.04480	9.3
270.07693	3.0
277.05054	9.0
281.08243	30.9
293.04578	27.3
294.05359	100.0
294.08701	4.8
295.05817	5.0
297.46057	2.5
309.04120	4.2
309.07715	70.9
310.07880	9.1
321.06058	3.1
352.11865	5.5
353.06659	40.4
353.12219	50.6
353.23349	4.3
354.06699	3.6
354.12796	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	353.088
Annotation	Biflorin
Peak:m/z	Relative Intensity
50.22227	1.1
50.80876	1.2
55.01858	1.2
57.03437	1.7
59.01385	11.1
65.00299	1.2
67.01842	1.0
68.99782	1.3
69.78798	1.1
71.01388	5.4
72.99306	3.2
73.02940	1.9
75.00873	2.5
77.03963	2.4
79.01907	1.6
81.03464	3.2
82.98836	1.1
83.01391	3.6
85.02954	10.8
87.00868	2.2
91.03001	1.4
93.03484	1.9
93.04575	1.1
95.01362	2.9
95.05048	1.6
99.00887	4.8
103.00361	1.9
107.05066	1.6
109.02925	1.6
111.04618	1.2
112.40965	1.1
112.98817	1.7
113.02467	13.8
115.00368	1.5
117.01890	1.8
119.05013	6.2
121.02950	3.5
124.98804	3.5
125.02409	2.1
125.06121	1.1
129.01917	1.7
133.04047	1.1
133.06589	2.0
135.04526	5.0
137.03506	2.0
137.06090	2.7
140.98296	2.2
149.02477	1.7
151.00508	1.1
159.04520	1.5
161.02470	1.3
161.06081	5.1
162.03239	26.9
163.04016	5.7
165.03024	3.8
173.04565	1.4
173.05998	1.4
174.07753	1.5
175.02466	1.2
177.01891	1.8
177.05583	22.1
177.09138	1.3
178.05852	1.1
179.03516	2.1
181.85042	1.2
187.78358	1.1
189.05600	1.4
190.02705	2.4
191.03561	5.8
191.05341	1.3
199.07274	1.9
203.03528	2.5
203.10843	1.5
205.05061	84.8
206.05447	6.7
215.03534	3.2
215.07211	2.7
217.05063	1.1
233.04555	100.0
234.04987	7.7
245.04572	3.7
248.10344	1.2
263.05576	2.3
265.08630	1.4
294.11850	1.2
309.13333	2.7
336.13712	1.4
353.04431	3.1
353.08725	59.4
353.12411	7.7
353.16287	2.6
354.09247	6.1
354.13602	1.7
374.38293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0882
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.41843	0.8
57.03466	0.5
58.44565	0.5
59.01377	3.2
63.39618	0.5
69.81239	0.5
71.01382	0.9
71.27295	0.5
82.87537	0.5
83.05077	0.5
85.02965	7.8
87.00889	1.5
93.03462	2.9
97.20422	0.6
109.02964	1.1
111.04533	0.9
113.02457	0.7
127.04002	2.1
135.04539	1.9
153.01933	2.2
161.02469	1.4
173.04515	1.7
179.03542	1.1
191.05629	100.0
192.06020	3.8
320.41077	0.6
352.92056	0.8
353.08817	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	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.7
70.15104	3.6
71.01389	2.9
72.99317	1.1
77.03976	1.5
79.01914	2.0
81.03420	1.9
83.01394	2.2
85.02979	1.9
87.00851	1.6
101.02429	4.7
109.02953	3.2
119.05042	5.0
124.98807	1.7
126.95751	1.2
133.06664	1.5
135.04492	2.5
159.04611	1.7
161.06090	5.9
163.04030	3.1
173.00880	2.6
174.07736	1.3
175.11412	1.5
177.05559	3.1
189.05560	1.8
191.03555	3.5
191.05614	19.6
194.92804	1.3
201.05704	1.5
203.03520	7.7
203.05190	1.5
205.05064	69.7
206.05464	5.9
215.03532	2.5
217.05019	4.3
227.07338	1.3
233.04552	100.0
234.04901	5.7
245.04573	9.9
246.04764	1.3
247.13416	1.5
263.05594	20.7
264.05951	1.9
275.05698	2.6
276.10434	1.5
282.00952	1.3
291.12729	1.3
309.13388	2.1
335.11157	1.4
353.08746	60.4
353.12451	5.5
354.09177	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	353.1034
Annotation	Licoflavonol
Peak:m/z	Relative Intensity
52.34869	0.6
56.97698	0.5
59.01377	0.5
65.00316	1.6
67.01898	1.2
69.03442	1.9
69.70011	1.3
69.70403	1.2
81.03499	0.6
83.01402	0.8
84.61270	0.5
87.04520	1.0
93.03474	12.2
95.01378	1.4
95.05035	0.9
107.05042	2.8
108.02201	0.7
109.02988	1.2
109.06584	1.4
111.04566	1.2
117.03479	65.9
118.03810	2.9
119.05016	1.9
121.06691	1.5
123.04420	0.6
130.04233	0.7
132.05814	1.2
133.02873	0.6
133.06627	1.1
134.03781	1.3
135.00897	1.3
135.04546	4.4
135.08174	2.5
136.01704	3.2
137.02446	0.6
137.06110	2.1
143.05037	1.8
145.02963	0.9
145.06580	0.8
147.04523	0.7
149.06161	0.7
151.04008	1.8
156.05792	1.2
157.06589	1.8
158.03755	1.2
159.04529	7.2
159.08145	1.0
161.02451	2.4
161.06075	1.1
161.09726	1.5
163.07675	17.4
163.60814	0.8
165.05640	2.7
169.06613	1.3
171.04597	1.3
172.05283	1.4
173.06001	1.1
177.09225	3.4
179.07124	1.0
182.07298	0.6
183.04492	2.1
184.05156	0.8
185.02483	2.1
185.06100	2.9
185.09715	1.5
187.03999	1.5
187.07658	2.8
189.05603	1.9
191.07156	19.1
192.07425	1.7
199.04037	0.7
200.04831	3.2
201.05574	6.3
203.07222	0.8
205.08681	4.0
207.06700	1.4
211.07668	1.0
211.11317	1.5
215.07104	0.9
223.07619	1.1
226.02591	0.9
227.03572	3.5
227.07117	1.3
228.04329	1.4
229.05020	1.8
229.08701	4.8
231.06659	3.2
233.08214	7.7
237.05568	1.4
237.09326	0.7
239.10782	1.2
251.07129	2.5
253.05141	0.7
253.12352	3.1
255.03015	5.5
255.06624	1.2
255.10265	12.7
256.03687	2.5
256.10641	1.0
265.08685	1.0
279.10178	1.6
281.08279	3.1
281.11868	8.0
282.08942	0.7
282.12143	1.3
283.05991	0.6
283.09760	0.9
284.03287	0.8
297.11325	4.9
307.09756	1.8
309.07700	1.4
309.11316	1.2
325.10828	27.1
326.11093	2.2
335.09302	1.8
353.10318	100.0
354.10672	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	353.1035
Annotation	Viridiol
Peak:m/z	Relative Intensity
59.01378	1.1
65.00328	1.3
67.01893	1.5
69.03472	1.9
69.26785	0.8
71.01910	1.2
77.71439	0.9
83.01386	1.7
92.37797	1.1
93.03477	15.9
93.07114	1.3
95.01369	1.2
95.05024	2.4
109.02937	2.2
111.00897	1.2
111.04564	1.2
117.03484	88.1
118.03826	2.8
119.05029	4.5
129.07126	1.5
130.04340	1.3
133.06644	1.2
134.03741	1.6
135.00905	3.8
135.04562	11.2
135.08200	4.2
137.02547	1.0
137.06122	2.7
143.05043	3.1
145.02956	2.6
147.04605	2.1
151.04037	2.8
156.05870	2.1
157.06589	1.6
158.03734	3.1
159.04533	11.8
159.08118	0.9
160.05069	1.1
161.02414	5.3
161.04733	0.9
161.09756	2.3
163.07675	11.6
165.05611	5.1
169.30014	0.9
171.04555	4.0
172.05334	2.4
173.06024	1.8
177.09225	2.1
183.04579	4.6
184.05247	1.9
185.02515	4.2
185.06093	2.3
186.03256	1.5
187.04062	3.1
187.07716	3.5
189.05620	2.4
191.07164	20.6
199.04118	2.3
200.04811	10.0
201.05609	9.4
205.08759	5.6
208.69835	1.2
211.11304	4.6
217.05141	1.3
227.03577	7.5
228.04298	3.3
229.05086	4.8
229.08716	2.1
233.08186	12.5
234.08566	1.4
237.09181	1.1
240.04134	1.3
251.07063	1.6
251.10994	1.3
253.05055	1.1
253.12244	1.2
255.03114	11.3
255.10292	39.1
256.03549	1.6
256.10706	2.9
281.04852	1.1
281.08578	1.8
281.11859	10.5
297.11343	10.9
298.11865	1.1
307.09845	1.8
309.07730	5.9
309.10980	1.9
311.09241	1.1
325.10858	22.0
326.11218	2.6
335.09586	1.5
353.10349	100.0
354.10571	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	353.1035
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
54.29269	0.6
59.01378	0.7
65.00303	0.7
65.03963	0.6
66.86765	0.5
66.97166	0.6
69.03446	2.4
70.08814	1.1
70.83179	0.5
83.01428	0.6
93.03469	11.4
95.01414	2.0
106.04242	0.6
107.05043	1.8
108.02207	0.7
109.06611	1.3
111.04536	2.0
115.04023	0.8
117.03477	53.4
118.03857	2.4
119.05016	0.8
121.02923	0.6
121.06638	0.9
132.05830	3.3
133.06615	0.8
135.00858	0.6
135.04550	2.6
135.08154	2.5
136.01675	0.6
137.06091	1.6
145.02953	0.8
151.04033	2.4
155.12616	0.5
156.05830	0.7
157.06633	1.1
158.03734	1.1
159.04538	4.2
159.08202	1.4
161.02444	2.6
161.06088	0.8
163.04085	0.7
163.07661	15.6
164.08041	0.9
165.05577	0.7
169.06555	1.0
169.46442	0.5
170.07443	0.9
171.04570	0.9
172.05475	0.5
173.06100	0.9
177.09171	3.8
179.07109	1.9
183.04483	1.3
183.07977	0.7
185.02487	1.6
185.06004	2.8
185.09727	2.0
187.07686	3.9
189.05714	0.7
191.07149	6.4
192.07535	0.6
200.04822	2.4
201.05582	3.7
203.07213	1.0
205.08698	2.9
209.06209	0.7
211.07573	1.1
213.05560	0.7
215.07195	1.3
223.07687	0.6
224.08517	0.5
226.02710	1.3
227.03484	1.4
227.07106	1.5
228.04245	1.1
229.08708	6.8
231.06702	2.5
233.08200	3.4
237.05554	1.1
237.09515	0.6
239.10706	0.7
240.04362	0.5
251.07175	1.9
253.05115	1.1
253.12312	3.0
255.02982	3.6
255.06618	1.1
255.10497	0.6
256.03781	2.3
265.08569	0.9
279.10236	1.1
281.05121	0.5
281.08279	2.3
281.11884	8.5
282.09003	0.6
282.12100	0.8
291.06470	0.5
297.11478	1.7
307.09778	2.3
325.10843	20.9
326.11148	2.6
353.10324	100.0
354.10666	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	353.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83098	0.8
65.00309	2.1
67.12457	0.7
68.99817	1.0
75.01991	0.9
90.92098	0.8
93.00169	1.0
99.00849	1.2
109.02954	0.8
117.03485	1.3
118.56510	0.8
119.05062	0.9
133.06561	1.2
136.98846	1.8
147.04549	1.3
149.02451	0.9
164.98274	2.1
165.07040	1.1
171.04507	3.7
172.04897	1.1
176.73927	0.8
177.05615	1.2
177.07135	1.2
181.01537	1.2
189.07103	0.9
191.08681	1.7
193.06552	2.4
195.08160	1.3
204.05803	1.4
205.01466	1.0
205.06572	6.3
206.07303	3.9
207.08186	4.7
209.06021	0.9
210.06911	1.7
217.06581	2.6
219.08151	2.6
221.06157	2.0
221.09886	1.3
223.04108	1.1
223.07666	2.4
231.04575	1.4
232.05217	1.1
233.06085	26.2
234.01598	2.8
234.06766	10.1
235.07596	10.6
236.08118	2.2
237.05600	2.0
237.09189	1.9
238.06369	4.0
242.08174	1.1
243.02968	1.1
245.06076	1.5
247.07787	4.8
249.05650	1.3
249.09196	2.9
249.90211	0.9
250.06358	1.3
251.07159	4.3
261.05542	15.1
262.06088	2.0
263.07083	9.9
263.09671	3.4
264.07748	3.5
265.08716	6.9
266.05811	0.9
268.03381	1.1
268.06110	1.5
269.04581	4.8
270.07678	3.9
277.08716	0.9
279.06705	2.1
281.08182	2.6
281.11835	3.2
282.07910	1.0
289.05038	1.0
291.06631	9.3
292.07227	3.4
293.08215	46.8
294.05444	1.4
294.08707	8.7
295.09811	8.2
305.04510	1.1
306.05231	1.5
309.07660	4.4
309.11362	6.3
310.07306	3.7
310.10852	1.2
311.09189	1.0
321.07690	100.0
322.08044	13.1
323.09235	5.6
325.10907	6.9
326.07959	3.1
353.06885	2.0
353.10284	34.8
354.10223	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	353.1035
Annotation	Vitrofolal B
Peak:m/z	Relative Intensity
57.15562	0.5
61.01686	0.5
65.00319	0.9
66.87765	0.5
68.70274	0.5
68.99814	0.7
69.03451	1.9
69.13535	3.6
69.20676	0.5
82.21814	0.6
83.05017	0.9
87.04505	0.7
93.03474	9.1
95.01402	2.2
97.06573	0.6
97.76904	0.5
107.05027	1.8
109.03002	0.8
109.06595	1.4
111.04533	1.3
117.03481	53.7
118.03822	2.6
119.05038	4.1
123.04528	1.2
132.05840	1.4
132.58308	0.6
133.06625	0.9
135.00885	1.2
135.04550	3.4
135.08173	2.1
137.06097	1.7
143.05028	1.3
145.03052	1.0
145.06592	0.8
149.06064	0.6
151.03978	4.0
156.05829	0.9
157.06601	2.0
159.04527	4.4
159.08104	1.4
161.02425	2.8
161.06131	1.5
163.07664	15.6
164.08011	0.8
165.05592	1.6
169.06595	1.1
173.06068	1.3
177.09171	3.0
179.07137	2.2
183.04492	0.9
184.03160	0.6
184.05414	0.7
185.02533	1.1
185.06073	2.3
185.09729	1.5
187.07707	2.8
189.05595	1.8
191.07155	5.6
200.04837	2.4
201.05620	5.0
203.07207	1.2
205.08710	4.6
207.06633	0.8
211.03918	0.9
211.07616	1.6
213.05592	1.2
215.07141	1.7
222.07048	0.7
227.03494	1.6
227.07289	1.3
228.04346	0.6
229.08716	7.1
231.06685	2.3
233.08148	5.3
237.05653	1.3
237.09218	1.0
238.06123	0.6
251.07144	1.9
253.05125	1.2
253.12459	3.0
255.02979	3.9
255.06630	1.9
255.10295	2.0
256.03839	1.3
265.08572	1.4
279.10419	0.9
281.08289	3.5
281.11868	9.4
282.09213	0.8
282.12347	1.2
283.06418	0.7
297.11368	3.1
307.09702	2.5
309.07788	4.2
309.10962	0.9
325.10818	23.3
326.11139	2.6
335.09271	1.0
353.10318	100.0
354.10641	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	353.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.8
67.01900	3.8
68.99828	1.6
69.42196	7.7
73.16107	1.3
83.01399	2.5
93.03469	22.7
95.05045	3.7
108.02199	3.3
109.02975	3.5
111.00903	3.1
117.03481	96.6
118.03838	3.5
119.05055	5.2
121.02982	1.6
121.06612	2.4
133.06625	4.1
134.03757	4.5
135.04552	11.9
135.08185	6.2
135.23378	1.6
136.01703	6.1
137.06177	1.9
143.05060	4.8
147.04623	1.5
156.05833	1.8
157.06602	2.5
158.03769	3.1
159.04546	14.2
161.02463	4.8
161.09822	1.8
163.07680	13.0
164.07762	1.3
165.05594	4.4
171.04529	4.0
172.05379	4.0
183.04547	6.3
185.02484	3.6
185.06117	2.3
187.04044	3.9
187.07689	2.9
190.02701	2.1
191.07173	48.7
192.07512	3.4
199.04085	2.9
200.04834	12.4
201.05585	17.4
205.08652	7.2
211.03905	1.8
211.11272	7.9
213.02216	1.7
215.07101	2.4
227.03566	10.2
228.04297	4.8
229.05078	5.3
230.48546	1.4
231.06662	3.3
233.08269	11.3
253.05058	2.3
253.12434	1.8
255.03014	12.8
255.10280	57.7
256.10663	5.0
259.06027	1.9
281.11884	6.5
283.09781	2.1
297.11328	16.4
309.11182	2.4
310.08316	1.5
325.10809	15.4
326.11121	2.5
353.10342	100.0
354.10767	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12440	1.2
65.00343	1.6
67.01893	1.1
68.99818	1.5
69.08752	8.6
82.17783	1.1
87.32960	1.2
93.03470	22.2
95.05020	2.5
98.21790	1.8
107.01421	1.4
107.27306	1.1
108.02202	2.5
109.02962	3.0
111.00927	1.7
116.02679	1.3
117.03480	100.0
118.03846	4.4
119.05010	6.1
120.46671	1.2
120.57397	1.4
121.06621	2.0
132.05823	2.0
133.06639	2.9
134.03748	2.4
135.00916	2.6
135.04553	15.0
135.08215	6.8
136.01682	2.5
137.06110	2.2
143.05049	4.4
145.02959	2.4
147.04533	1.3
156.05841	4.3
156.31485	1.2
157.06641	2.6
158.03748	3.6
159.04535	17.7
161.02437	3.7
161.06128	1.4
161.09636	2.5
163.07683	15.5
165.05574	7.2
171.04541	3.6
172.05284	6.6
173.05829	1.5
177.09236	1.8
183.04462	6.1
184.05315	1.5
185.02443	3.1
185.06088	3.2
186.03249	2.8
187.04033	3.6
187.07745	3.5
187.11328	1.9
191.07158	23.6
192.07426	1.6
199.04024	2.4
200.04836	17.2
201.05571	16.8
202.05995	1.4
205.08694	7.7
211.11313	7.6
213.09090	1.3
215.07161	2.6
227.03554	11.5
228.04251	5.0
229.05121	7.5
231.06657	3.1
233.08192	6.4
240.04269	1.8
253.05211	1.6
255.03032	10.7
255.10297	75.3
256.03702	2.0
256.10693	6.1
259.06134	3.3
279.10129	1.9
281.11911	14.6
282.12283	1.4
297.11359	16.0
325.10855	21.3
326.11145	3.7
353.10327	99.4
354.10666	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	353.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69770	1.5
57.03449	2.9
59.01377	6.0
60.48201	1.2
61.55007	1.2
67.01888	4.4
67.03014	8.3
68.99825	5.4
69.03476	2.4
71.01376	4.1
71.41349	1.6
72.99314	75.2
78.90759	1.3
81.03471	2.8
81.04575	5.2
82.38657	1.2
83.01402	4.6
83.05029	2.0
85.02916	2.1
87.00912	2.5
91.03010	4.6
93.04595	7.2
95.01398	4.1
95.05037	3.2
97.02954	1.6
99.04514	5.0
107.02501	3.5
107.06207	2.5
109.04086	100.0
109.06539	2.2
113.02458	2.2
117.04591	5.8
119.06176	1.9
121.04064	4.9
123.04468	2.5
131.05005	2.1
131.06163	2.8
133.04089	29.8
135.08170	2.1
137.02498	3.3
137.03563	6.5
141.04570	2.7
143.05083	1.7
143.06148	6.2
145.04082	2.5
145.06586	11.5
147.05688	1.4
151.03893	1.6
157.06596	3.3
159.05641	4.2
161.03532	1.9
161.09735	1.4
163.05141	5.7
165.03072	15.4
165.05519	1.2
169.04071	2.7
171.04520	1.5
173.06050	5.1
177.09193	2.3
177.12865	1.7
185.03578	6.7
187.05168	12.5
187.07674	3.4
189.03049	5.2
201.06705	4.4
203.14394	1.6
205.06235	2.2
209.06012	1.4
213.03110	2.2
215.07140	16.5
221.11839	2.2
225.05658	2.2
227.07082	3.4
236.92848	1.6
237.10521	1.9
241.13509	1.8
242.08185	2.4
243.06621	31.5
243.09088	1.7
244.06927	3.2
247.13353	3.0
263.40347	1.6
265.08411	2.6
270.07568	3.0
273.41476	1.4
279.11346	16.9
280.30255	1.3
283.14612	2.0
289.09836	2.4
291.11618	7.6
293.09412	3.5
297.66290	1.4
307.10870	3.3
309.13474	4.1
309.17294	2.4
311.13824	3.2
317.09155	2.2
335.10446	14.9
336.13510	2.9
353.08777	3.6
353.11902	24.8
353.16193	18.1
354.11588	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	353.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77050	2.4
57.03447	10.4
58.28621	2.4
59.01383	20.3
60.45214	2.1
65.69395	2.1
65.99864	3.3
67.03019	27.6
69.03439	5.4
70.18278	2.2
71.01404	9.0
71.05022	3.5
71.39985	2.1
72.99313	100.0
73.02966	6.7
79.95776	3.9
80.36385	2.2
80.96544	5.2
81.03461	4.9
81.04594	39.0
83.01404	7.4
83.05018	3.5
85.02959	7.1
87.00895	6.8
89.02447	6.3
93.03453	6.0
93.04587	12.3
95.01442	2.7
95.05058	5.0
96.96034	5.7
97.02959	18.4
97.04048	6.1
97.06600	3.0
98.02428	2.5
99.00893	4.3
101.02451	3.6
105.04587	6.2
107.02512	15.9
107.05023	5.0
108.02220	3.6
109.02962	6.0
109.04105	6.1
109.06618	4.8
110.00153	2.8
111.04504	4.7
113.02477	10.0
117.03544	4.7
117.04641	8.3
119.05007	3.4
119.06134	6.3
121.02979	7.7
121.04113	4.5
121.06632	3.0
121.07734	8.5
123.04536	7.2
123.05636	5.9
124.01716	3.6
125.02444	5.2
125.03584	8.1
130.05406	3.8
131.02544	2.6
131.03531	2.7
131.05043	2.9
131.06184	6.7
132.03432	3.1
132.04524	2.9
133.04088	56.3
133.06674	4.4
133.07747	7.5
135.05659	3.7
135.08171	3.8
136.98753	3.8
137.02464	6.2
137.06108	3.6
139.04045	21.2
143.06171	6.5
145.04094	9.6
145.06627	10.4
147.04558	2.9
149.02435	6.5
149.03590	6.6
149.07216	7.3
149.09731	3.5
153.05571	3.1
157.07710	6.4
158.04851	5.7
159.05635	25.1
161.02420	4.2
161.03564	32.6
161.06038	5.9
161.07173	6.3
162.04353	4.6
163.05132	10.3
164.98334	3.4
165.98732	4.0
167.03548	3.0
173.07227	9.8
174.27795	2.6
175.05185	15.5
175.07564	3.6
176.48746	2.5
177.06758	20.4
177.09273	3.9
177.12877	4.4
183.05692	5.8
185.03574	3.1
185.07275	7.3
186.04390	4.7
187.05168	6.8
187.07681	6.8
189.03062	18.2
190.03865	8.2
197.04564	6.6
201.06723	36.4
203.04605	8.2
203.08261	5.4
203.14433	5.0
204.05411	3.9
205.06146	11.7
205.12315	2.8
211.05258	6.1
215.07224	4.7
219.07777	19.7
221.15417	3.1
227.07126	4.1
229.06224	41.1
229.12225	3.2
230.06523	2.5
232.05026	3.1
242.08174	4.6
247.07291	52.5
247.13368	7.6
248.07483	3.8
252.06697	3.1
259.06317	2.7
265.14426	7.9
266.14841	3.0
269.04376	4.9
270.04913	14.5
270.07794	10.6
273.11139	3.6
277.07150	4.5
279.11462	11.4
291.11673	11.0
291.16031	3.2
307.10843	4.0
309.10092	5.5
309.13425	12.4
309.17004	4.2
335.10614	10.7
353.08478	11.1
353.12253	54.8
353.16287	13.2
354.12817	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	353.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35245	2.0
54.43012	2.3
57.03436	3.2
59.01370	4.6
65.00330	6.8
67.01882	6.8
67.03003	10.4
68.99825	6.0
69.03448	2.8
69.15330	7.9
69.15724	5.0
71.01399	2.9
72.99311	100.0
73.02946	3.5
74.01440	2.4
81.04584	17.9
83.01414	3.5
84.40728	2.4
85.02937	3.4
87.00886	5.1
93.04578	6.4
95.01381	3.4
96.95995	4.3
97.02956	5.5
99.00899	5.7
101.02439	4.2
107.02514	7.5
108.02156	4.3
109.02973	4.9
109.04050	4.7
110.00103	2.9
111.00909	3.4
111.04501	2.8
112.98797	4.4
113.76245	2.4
117.03440	3.5
117.04549	3.8
119.05060	4.4
121.03065	3.3
123.04518	2.7
124.01670	3.5
125.02549	2.5
125.03512	2.7
131.05026	4.4
131.06099	3.2
133.03046	3.8
133.04068	23.6
133.07658	3.7
134.00055	3.0
135.05562	2.5
136.98776	3.7
137.03503	5.1
139.03975	8.7
145.04095	4.1
145.06583	9.7
147.08075	3.0
149.03529	4.4
151.02730	4.1
151.04031	2.4
157.07747	2.7
159.04494	2.5
159.05658	11.4
161.02426	2.9
161.03616	12.4
161.06061	11.5
161.07254	4.4
163.05191	4.6
164.98299	5.9
165.03015	2.8
165.98660	3.7
171.04527	2.8
171.08110	2.9
173.05983	4.9
173.07272	4.3
174.07674	4.9
175.05141	6.7
175.07510	2.6
177.06664	10.1
177.09119	3.7
187.05147	3.3
187.07634	4.6
189.03065	8.0
189.99057	3.9
190.03766	2.9
197.06152	3.6
201.06781	12.3
203.04749	3.4
203.06897	2.6
205.06166	4.6
215.07141	21.7
219.07782	9.9
225.05466	5.3
226.06401	4.2
227.07152	5.9
229.06271	17.0
229.12276	4.4
242.05321	3.7
242.08261	5.4
247.07176	20.7
254.05771	3.0
255.06619	7.5
259.05997	5.6
265.14484	3.3
266.08838	2.9
269.04587	7.9
270.04901	24.2
270.07724	13.0
271.05487	4.4
277.07092	3.6
279.11246	3.1
289.09656	2.4
291.11877	3.8
309.13403	5.7
335.10437	10.9
353.07635	7.3
353.11761	31.8
353.16153	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	353.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83354	2.5
53.32362	2.6
59.01386	100.0
61.98831	11.6
71.01414	2.9
74.20156	2.8
78.36514	2.7
79.00338	2.5
81.63004	2.6
86.09261	2.6
99.92609	5.4
117.03500	3.8
153.01939	5.1
161.97375	2.7
177.01932	3.7
184.48647	2.8
191.05576	4.5
242.46123	2.8
268.90573	4.6
341.96744	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	353.1868
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
55.42769	1.3
59.01383	2.8
70.61559	1.1
75.00876	12.9
96.95994	1.3
98.95580	2.1
127.64834	1.2
171.10284	16.7
199.50041	1.3
225.44687	1.2
226.85664	1.3
268.14957	1.7
277.21692	20.4
277.24277	1.8
278.22073	3.2
281.33298	1.6
295.22781	29.8
296.23236	3.1
327.64468	1.4
353.18652	100.0
354.19067	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	353.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95747	11.5
80.96516	0.9
81.95606	0.5
94.98094	0.9
95.95257	2.3
96.96022	85.2
97.95944	0.6
102.64412	0.4
118.09998	0.4
122.97601	3.7
127.84982	0.4
136.57141	0.4
163.85730	0.5
182.99728	0.5
197.02756	3.0
249.22183	0.4
296.75037	0.5
353.20041	100.0
354.20349	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
56.73999	0.5
61.19245	0.5
62.85016	0.5
64.97005	0.5
79.95744	5.9
80.96510	1.1
89.04793	0.4
94.98076	0.5
95.95238	1.4
96.96020	50.1
120.80447	0.4
122.97614	3.1
123.98318	0.5
163.11301	91.4
164.11636	6.1
177.09222	68.2
178.09576	5.0
197.02852	0.5
209.36494	0.5
353.20911	100.0
354.21350	12.5
378.76505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13179	0.3
67.04440	0.3
71.29522	0.4
77.55709	0.3
79.95771	0.8
81.06686	0.3
96.96026	2.5
107.11491	0.3
164.91814	0.3
170.00449	0.7
175.76337	0.3
183.01225	7.2
184.01945	1.6
197.02794	33.1
198.03537	7.0
199.95508	0.3
211.04390	2.1
212.05157	0.3
217.41217	0.3
225.06000	0.6
230.02513	1.5
239.07574	0.4
253.09125	0.6
264.81152	0.3
267.10614	0.8
281.12405	0.5
310.00180	0.3
353.21582	100.0
354.21918	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	354.062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04097	2.5
64.01930	2.3
65.00330	7.2
65.99862	3.4
67.45970	0.8
68.99831	1.5
69.13156	1.7
69.13566	3.8
83.01415	1.5
87.20988	0.8
92.01435	1.3
92.99835	1.7
95.01406	4.3
96.00926	6.5
107.01363	1.1
108.00950	1.8
110.00123	1.3
117.03473	1.6
119.05040	1.0
120.00897	1.1
120.99372	4.5
132.37798	0.8
134.02496	2.9
135.04543	1.3
136.00421	58.1
136.98775	1.2
137.00723	1.6
138.01993	3.7
145.03058	0.9
145.06642	1.4
147.04527	0.8
150.02002	1.9
157.06638	1.2
158.45474	0.8
161.02478	1.3
162.01984	1.7
163.99919	42.2
164.98346	2.3
165.00421	1.7
171.04530	2.4
173.06059	2.0
177.00742	0.9
177.05624	1.4
178.01476	13.9
185.06136	1.1
188.07159	0.8
189.05659	1.1
190.98685	2.4
197.06195	0.9
198.05617	2.0
206.00931	4.9
206.08072	0.9
211.07690	1.1
212.07207	2.0
222.05396	1.0
222.24829	0.8
224.07219	4.9
226.05119	5.4
227.07169	11.4
237.09361	1.2
240.06680	9.1
241.07098	0.8
248.10483	1.7
254.08134	1.5
265.08673	4.7
266.08679	1.7
268.06177	100.0
269.04022	1.5
269.06763	8.2
276.10202	1.9
277.08676	1.5
282.07803	6.5
282.10623	1.2
282.16324	1.4
284.13049	1.5
286.04840	2.6
294.11313	3.9
295.04840	1.6
295.11929	0.8
297.04068	1.9
310.07251	40.2
310.10638	1.8
311.07397	4.3
322.06171	1.1
326.14954	2.7
336.10016	0.8
336.13492	4.3
354.06006	2.7
354.09903	3.1
354.14520	6.6
355.08435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00337	4.0
54.22679	1.1
58.85261	1.0
62.00353	1.5
65.83289	1.0
65.99854	25.6
69.86276	3.4
77.99866	3.6
89.99855	8.8
92.17605	1.0
97.13423	0.9
105.99348	4.7
107.00138	2.6
118.95296	0.9
129.75212	1.0
131.05035	6.8
133.98824	1.7
134.99609	2.3
152.05087	3.2
159.04562	3.2
161.02553	1.1
161.98364	5.2
164.05032	1.4
166.06636	2.2
169.11278	1.0
174.98796	0.9
182.06140	1.1
187.04019	20.1
188.04449	1.4
189.97934	1.2
190.06628	2.5
194.06143	2.2
194.88507	0.9
210.05528	1.7
216.95341	0.9
217.97318	23.8
217.99321	1.8
222.05708	5.4
224.03542	2.6
227.07159	2.4
235.98380	7.4
238.05157	9.6
266.04617	13.7
266.74771	1.1
267.02933	1.9
280.02533	8.6
298.03561	3.3
310.07642	1.3
310.10895	1.7
322.03598	100.0
323.03903	9.2
340.04663	59.0
341.05115	5.4
354.05829	1.5
354.09671	6.6
354.13977	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	354.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30975	0.7
56.47943	0.6
56.58344	0.6
57.03431	2.1
59.01393	5.4
68.99832	1.8
69.03468	0.9
71.01386	3.1
71.05025	1.2
72.99311	3.1
73.02978	1.8
77.92952	0.9
79.15292	0.7
83.01383	1.1
83.05058	1.7
85.02982	1.3
86.10632	0.8
87.00878	1.5
89.02450	0.9
91.01915	3.7
93.03496	1.2
95.01398	2.5
95.05047	2.1
96.96014	1.4
97.06629	1.2
98.02491	1.0
101.20394	0.7
107.05055	1.1
109.02946	1.9
109.06560	0.9
111.00928	1.0
111.04550	1.9
113.02473	1.8
117.03510	1.0
119.04993	1.8
121.02979	1.2
123.00847	1.0
123.04525	1.7
123.08156	0.9
125.06115	1.0
134.02504	2.2
134.03775	2.6
135.00888	2.6
135.04512	1.0
135.08163	1.5
137.02455	1.0
137.06105	1.2
138.01985	7.8
143.05020	1.3
145.06671	0.8
147.04573	1.4
148.05225	0.8
148.68443	0.8
149.02368	0.9
149.06073	1.3
151.04002	2.6
151.07660	0.9
160.00467	0.9
160.01765	2.3
161.09813	1.0
163.00406	4.6
163.07631	0.9
163.11346	1.0
163.99928	1.6
165.07050	1.9
165.09253	1.5
171.04543	18.0
172.04973	1.6
175.04076	4.1
176.04794	1.3
178.01505	2.4
179.10855	1.2
191.07257	1.5
193.05043	4.5
193.06627	8.0
193.08424	1.1
194.07030	1.0
195.04495	1.0
195.08177	2.8
196.08296	1.0
205.12292	1.6
207.10307	1.0
209.06125	1.2
219.02008	0.8
220.05328	2.1
221.06097	20.8
222.06485	2.4
223.07672	2.0
223.13493	1.0
227.07195	1.2
235.06125	3.0
237.05586	3.4
238.08788	0.8
239.07167	1.7
249.05574	1.8
264.06656	2.6
265.04977	24.0
266.02591	0.7
266.05341	3.3
266.07983	0.8
266.14987	1.0
267.06619	22.6
267.09348	1.6
267.12515	1.6
268.06976	2.1
271.08319	1.0
282.07745	17.9
283.08060	1.1
284.07037	0.8
293.04019	5.8
293.07037	1.2
293.09811	1.0
293.13751	1.1
295.08362	4.3
295.11731	0.8
308.07458	4.6
310.07233	100.0
311.07724	13.8
311.11377	1.6
311.15103	2.4
311.46170	0.8
336.06912	29.5
337.07370	2.7
354.07996	50.5
354.12549	3.0
355.04727	1.3
355.09808	5.1
355.14044	9.7
355.17889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08348	0.8
53.28393	0.9
59.01383	29.8
68.31133	0.9
71.01382	1.1
72.99298	0.9
73.02951	1.2
78.95909	5.3
85.02963	1.0
96.96004	1.4
96.96972	1.8
110.14375	0.9
113.02433	1.2
117.00444	3.1
130.08749	100.0
131.08218	2.0
131.09081	2.4
157.03554	1.0
159.01485	2.0
201.02588	12.8
202.02670	1.6
210.06111	1.2
211.05707	1.0
213.07460	1.7
228.07286	3.2
230.08829	12.0
259.01526	3.6
272.09915	94.0
273.10101	10.9
276.04153	3.3
277.02686	1.3
337.07642	1.8
354.08850	2.5
355.08966	3.1
362.67645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66603	9.7
59.01374	33.0
59.92624	12.3
61.65085	9.2
65.00319	10.8
71.70067	11.9
78.95964	12.4
93.03462	15.1
96.96040	30.3
97.37053	11.7
103.48734	10.0
110.58986	10.2
117.03477	100.0
119.05038	90.0
120.99664	17.0
135.04501	19.7
139.44583	12.0
151.00389	13.5
151.04008	12.2
151.12729	11.0
153.19522	9.8
161.02440	11.9
173.06140	12.9
256.31381	10.6
259.16351	11.7
311.12585	15.6
355.11569	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1349
Annotation	Ophiocarpine
Peak:m/z	Relative Intensity
64.05871	1.5
65.00323	7.7
65.99860	18.8
68.99806	4.3
69.53413	1.6
69.59672	5.4
81.02212	3.8
91.43607	1.4
92.99837	2.2
96.00941	4.8
96.99380	1.7
98.21967	2.9
108.00938	3.0
109.01704	20.3
110.00126	3.8
120.00899	9.2
121.01717	16.9
124.00448	1.3
136.00395	10.0
136.98816	4.5
137.01202	10.0
137.99574	2.6
150.02127	1.6
163.99854	7.9
164.98500	12.9
165.00679	91.7
166.00978	2.5
171.04588	2.4
173.65225	1.3
178.01497	5.4
178.46233	1.3
198.40382	1.4
227.89650	1.2
239.03676	2.3
240.06696	3.1
241.07440	3.0
242.08521	1.8
268.06158	26.3
269.04498	21.6
269.07007	100.0
270.04898	2.7
270.07483	14.7
270.90143	1.3
354.10330	3.2
354.13535	73.2
355.13745	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	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	27.8
61.94623	1.7
65.00304	3.1
65.52570	1.8
70.16228	3.9
70.16534	1.9
71.01392	11.5
73.02967	2.6
83.01423	3.4
85.02971	4.3
89.02460	5.3
91.87807	2.2
92.99799	1.8
93.03507	2.2
95.01422	1.9
101.02470	4.1
108.02197	5.8
109.02984	6.4
113.02474	4.6
117.03533	9.7
119.05049	4.5
121.02989	3.5
132.02185	7.8
133.02994	3.2
134.03764	30.4
135.04561	10.4
136.01678	99.7
147.04564	3.8
149.02411	3.6
149.06075	9.0
151.00439	2.5
151.02226	4.1
151.04024	100.0
152.04393	4.4
160.01675	54.8
161.02289	6.1
167.03558	2.9
175.04010	76.0
176.04720	10.9
178.02678	2.9
191.07201	10.4
193.01372	2.4
193.05070	30.8
193.08691	3.8
194.05444	4.1
207.06566	2.8
217.05074	7.6
235.06085	14.1
260.76221	2.4
265.07257	8.1
295.08319	18.4
303.04941	2.4
355.11942	20.1
356.12021	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03446	6.4
59.01386	48.0
61.72951	2.1
62.11835	1.9
63.00624	1.7
67.01906	3.3
69.03478	2.1
69.60428	7.7
71.01390	34.7
72.99310	5.3
73.02948	5.1
75.00882	16.6
85.02960	67.3
87.00873	16.4
89.02443	6.7
95.01389	21.7
98.49075	2.1
99.00892	28.2
103.00385	8.4
111.00854	3.5
113.02465	100.0
114.02824	2.8
114.03838	2.2
115.00389	3.8
117.01984	12.5
126.05657	2.1
129.01950	6.5
134.03755	2.2
135.04532	20.0
145.03021	2.2
146.03752	53.0
147.04076	2.2
157.01506	2.7
161.06096	17.4
163.04103	2.2
164.04807	35.7
175.02477	15.1
179.03577	15.9
179.05669	3.8
179.07153	50.8
355.10385	12.6
355.14099	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	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60403	0.5
52.16589	0.4
59.01384	14.1
67.38075	0.5
70.25410	1.0
71.01064	0.5
71.01392	4.8
73.02935	1.0
85.02953	0.9
89.02440	3.5
95.01367	0.8
99.04478	0.6
101.02437	1.9
113.02462	1.5
117.03477	1.4
119.03519	0.9
119.05010	1.2
121.02965	0.8
123.00845	0.6
123.04515	0.5
132.02185	16.4
133.02609	0.5
134.03769	9.0
135.04533	1.3
136.01697	0.7
137.02423	0.7
147.04506	1.0
147.10428	0.5
148.05281	0.4
149.02550	0.7
149.06122	2.8
151.04024	1.1
152.91182	0.5
160.01672	66.5
161.01976	2.7
167.03586	0.5
175.04021	100.0
176.04369	5.2
177.01955	0.7
178.02730	3.8
183.29704	0.4
191.07117	2.7
193.03305	1.0
193.05083	18.8
194.03879	0.5
194.05449	1.0
202.02765	1.1
207.06757	0.6
217.05064	5.8
235.06128	3.2
295.08347	2.0
303.05090	0.7
317.98642	0.5
355.10318	5.8
356.11099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.5
58.04427	0.6
59.01384	11.5
63.35646	0.7
67.39288	0.5
69.03441	0.6
69.20134	3.1
71.01389	5.7
83.01375	1.0
85.02930	1.0
89.02467	3.1
93.03467	3.4
95.01369	0.9
97.06613	0.8
101.02442	1.9
107.02493	0.7
109.02952	1.6
113.02473	3.5
117.03475	27.7
118.03798	1.0
119.03513	1.3
119.05027	2.8
121.02946	1.0
130.08774	0.9
132.02179	16.3
133.02982	0.8
134.03757	8.3
135.04547	7.2
137.06061	0.7
145.02951	0.7
145.06583	0.9
147.04510	0.9
147.08234	0.7
149.06111	3.6
159.04552	1.5
160.01674	67.5
161.02188	4.2
161.06047	0.6
172.05339	0.7
173.06084	1.1
174.03264	1.0
175.04019	100.0
176.04343	7.0
177.51006	0.6
178.02655	1.0
187.04054	1.6
189.05627	0.9
190.48886	0.7
191.07175	3.6
193.03561	0.7
193.05084	15.7
193.08693	1.1
194.05562	0.8
201.05568	0.6
202.02736	1.6
213.05490	0.8
217.05049	5.9
218.33041	0.7
219.06566	0.7
229.11951	1.5
235.06148	3.0
235.09750	1.0
237.09465	0.7
239.10797	0.9
243.48067	0.7
253.05023	0.9
259.09985	0.7
261.07733	1.1
265.08826	1.3
267.10233	1.2
281.08255	7.4
283.09818	0.7
293.08252	1.3
295.08389	1.9
311.09485	1.6
311.12991	1.1
323.06958	1.1
327.12512	1.0
337.10898	1.6
351.81061	0.7
355.11926	51.9
356.12311	5.5
377.08069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	29.9
63.60563	1.7
66.35722	1.9
70.07362	2.0
70.38397	3.1
70.38718	2.3
71.01393	10.5
73.71275	1.8
83.01418	2.9
85.02952	4.0
89.02467	5.1
99.49654	1.8
101.02481	2.4
108.02204	8.0
109.02962	3.8
117.03467	12.9
119.05000	4.3
132.02200	10.7
133.02963	4.0
134.03763	26.7
135.04532	8.4
136.01680	92.6
137.02159	2.6
147.04472	3.1
149.02484	4.3
149.06036	5.6
151.00381	3.5
151.04030	100.0
152.04338	4.4
160.01674	49.6
161.02368	6.3
161.56224	1.6
165.01883	1.6
167.03511	3.4
175.04015	60.3
176.04617	5.6
177.02031	2.1
178.02676	2.4
179.03595	1.7
190.48395	1.7
191.07124	7.0
193.01459	2.9
193.05066	26.5
193.08797	2.1
217.05077	6.2
218.12285	2.0
235.06169	16.4
253.05354	2.1
265.07199	6.5
295.08234	17.1
303.05243	2.5
355.11786	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	355.1186
Annotation	Erabulenol A
Peak:m/z	Relative Intensity
57.03453	0.7
59.01385	3.2
69.03485	1.0
69.17731	4.1
71.01410	1.7
73.99221	0.7
89.02411	0.9
93.03483	5.5
95.01409	0.7
97.06572	0.9
107.05009	1.0
109.02967	1.7
117.03479	52.9
118.03793	2.6
119.05030	2.0
132.02129	0.8
133.02925	0.9
134.03764	3.4
135.04556	6.1
137.06059	1.1
145.02977	0.7
145.06573	0.8
149.02475	0.8
149.06099	4.8
151.03992	1.0
151.07730	0.7
153.34343	0.8
159.04474	2.3
160.01683	3.0
161.02426	2.6
161.06055	1.3
163.07845	0.8
165.09175	1.0
165.77492	0.7
173.06073	2.2
175.04008	4.6
175.07671	1.3
176.04790	1.3
187.03990	1.3
189.05522	0.8
191.07191	4.3
193.05098	3.5
193.08723	1.2
196.05592	0.7
201.05615	1.0
217.05043	2.6
225.05452	0.9
227.07240	0.8
235.06186	3.2
235.09790	3.7
239.10889	0.7
249.09111	1.0
250.09860	0.6
253.05191	2.6
257.04507	1.5
265.04852	1.3
265.08911	1.6
267.10306	2.7
281.08228	13.0
282.08603	1.2
293.08258	3.6
293.11621	1.4
295.08322	2.3
311.09277	3.8
311.12994	2.7
319.14136	1.3
336.93851	0.7
337.10794	2.9
338.11063	0.8
343.83414	0.8
355.11880	100.0
356.12180	10.8
362.28931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76120	4.5
69.23243	24.6
79.62904	4.4
93.03461	5.5
98.21899	12.5
105.40399	4.8
115.79469	4.5
117.03487	16.6
119.05048	30.6
147.04559	7.8
152.48393	4.3
157.60561	4.9
165.05557	4.8
175.04021	79.6
176.04797	41.1
189.05606	11.1
190.06352	34.0
195.08258	5.3
204.04272	18.1
208.03780	11.7
215.98178	5.0
217.05031	8.6
218.05830	10.4
219.06645	36.4
222.05347	15.8
239.07047	7.5
267.06616	16.4
279.06613	33.9
282.77933	5.1
285.44507	4.5
291.06793	13.2
295.06192	28.0
296.06784	11.3
296.37735	4.5
306.09116	7.8
307.06140	28.6
307.09113	4.8
310.08493	12.5
311.09265	15.4
322.08499	25.2
323.08896	5.6
325.10751	37.5
337.10867	39.3
338.11530	6.1
340.09464	7.9
355.11923	100.0
356.12329	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	355.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95482	0.4
60.51655	0.4
65.00322	2.8
69.03462	1.1
69.60560	1.4
69.60912	0.5
71.05031	0.4
72.45602	0.4
72.66702	0.4
73.02945	0.6
93.03471	6.0
95.01424	0.6
96.36004	0.5
97.06591	1.7
98.21870	0.8
107.05079	0.6
109.02945	0.8
116.12769	0.4
117.03481	46.6
118.03809	2.0
119.05042	35.6
120.05375	1.4
121.06618	0.9
123.04549	4.0
133.02982	0.5
135.04494	2.1
136.98846	4.5
137.02402	0.8
137.06110	0.9
139.04051	1.0
143.05026	1.2
145.02927	1.1
145.06564	0.7
147.04541	0.7
149.06110	2.8
157.06647	0.7
159.04529	3.3
161.02455	1.4
161.06123	1.1
163.04008	0.7
163.07678	1.5
165.05544	1.2
165.09148	0.4
167.07143	0.8
169.06787	0.5
171.04611	0.8
173.06113	2.4
173.09732	0.4
175.07674	0.7
187.04021	2.4
189.05569	0.8
191.07170	2.9
193.08713	0.8
201.05617	1.2
209.08177	0.8
211.07623	0.5
213.05638	1.1
215.03526	0.5
215.07138	0.5
217.05087	1.3
221.06042	0.5
222.06754	0.5
223.07539	0.5
223.11258	0.7
235.05891	2.0
235.09772	2.9
237.05609	0.7
239.10811	0.7
241.08707	0.8
249.09267	1.2
253.05067	1.9
257.04535	2.3
265.05090	1.8
265.08688	2.2
265.12250	0.5
266.05917	0.6
267.10205	2.7
268.10712	0.6
281.08218	13.7
282.08676	1.0
283.09763	1.3
293.08240	3.4
293.11856	1.0
294.08994	0.7
309.11343	1.0
311.09259	3.5
311.12946	1.5
337.10864	3.0
355.11905	100.0
356.12247	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	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43206	0.8
65.00327	4.2
68.99828	6.7
69.40686	1.6
69.41075	2.3
74.77874	0.8
74.98303	0.7
80.21928	0.7
82.00629	1.2
83.01423	1.0
85.02911	0.8
88.59755	0.8
93.03465	8.6
93.07075	1.9
94.44339	0.8
95.05008	1.3
97.06591	2.7
109.02953	1.0
109.06567	0.8
110.00109	11.7
111.08156	1.7
117.03484	4.5
119.05039	100.0
120.05350	3.8
121.02984	4.7
121.06634	1.1
123.04537	1.9
124.98788	0.8
135.04526	2.5
136.98784	5.6
137.06113	4.7
137.99538	1.4
139.04233	0.8
139.07660	12.0
143.05054	2.3
145.02966	21.1
146.03276	1.2
147.04466	1.1
147.08208	1.5
159.04584	1.1
161.02431	0.8
161.06139	4.7
163.07654	2.4
165.05580	49.8
165.99103	0.8
166.05933	2.8
185.06108	7.6
187.04037	2.1
188.04668	1.3
189.05492	1.4
191.07103	3.7
197.02849	2.2
203.07138	4.0
209.08199	7.8
216.04240	1.2
229.05026	3.4
231.06705	2.4
233.08138	1.5
235.06154	1.9
257.04504	4.7
267.10394	1.2
285.11346	19.4
286.04837	1.5
286.11600	2.9
321.59512	0.8
355.11981	14.5
355.19394	4.8
356.12247	2.2
356.19684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.119
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25777	3.5
70.08778	4.7
71.41750	3.4
74.99091	4.4
117.03454	11.3
119.05027	21.7
147.04524	9.6
152.99565	3.8
175.04030	56.6
176.04816	31.8
190.06410	31.4
191.07011	4.6
199.91266	4.7
204.04280	8.8
204.67827	4.3
208.03879	7.6
217.05077	13.9
218.05859	10.3
219.06644	35.4
222.05374	14.9
237.05571	4.9
239.07036	5.2
244.84816	4.0
251.07211	4.3
263.09726	10.7
267.06595	8.6
279.06528	20.1
279.11337	4.1
281.96033	3.7
291.06641	11.6
294.09042	6.1
295.06216	29.5
296.06461	5.4
306.09033	9.9
307.06146	32.1
308.06354	3.8
310.08429	19.7
311.09174	16.8
322.08578	23.6
325.10794	38.5
326.11005	4.7
337.10938	27.5
338.11273	4.7
355.11911	100.0
356.12137	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	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05771	0.4
59.01388	0.6
64.70314	0.4
65.00338	0.9
68.36608	0.4
69.03458	0.9
69.31502	1.8
69.31911	0.7
81.03492	0.4
85.06593	0.6
89.29299	0.4
93.03471	7.9
95.01392	1.1
97.06599	1.0
99.04537	0.5
106.37886	0.5
107.05046	1.1
108.02151	0.5
109.02955	0.8
115.04064	0.5
117.03477	66.1
118.03829	2.5
119.05033	8.2
121.06643	0.7
123.04549	1.4
128.13646	0.4
129.83821	0.4
131.05070	0.4
131.47249	0.4
133.06618	0.8
134.03705	0.5
135.04553	2.3
136.98804	0.5
137.02478	0.9
137.06090	1.0
139.04051	0.5
145.02979	1.3
145.06633	1.7
147.04515	0.9
147.08138	1.0
149.06099	7.0
149.09639	0.5
150.06606	0.5
151.03925	0.8
151.07658	1.0
158.03717	0.6
159.04535	4.3
161.02432	2.7
161.06155	0.6
163.07701	1.3
165.05632	0.8
165.09270	0.8
167.07201	0.5
169.58824	0.4
171.04607	1.0
173.06079	3.4
175.07634	0.8
185.06161	0.6
187.04036	0.7
187.07655	0.5
189.05611	0.9
191.07140	4.2
193.08722	1.1
200.04721	0.5
201.05582	1.9
207.08261	0.5
211.03963	0.9
213.05585	0.5
217.05135	2.9
217.08720	0.8
219.06664	0.6
223.11357	0.8
229.05003	0.6
235.09787	4.0
236.10191	0.5
237.05690	2.2
238.06396	0.7
239.07159	0.7
239.10762	1.2
240.11197	0.4
241.08635	0.8
249.09232	0.9
253.05107	1.4
255.10344	0.6
257.04562	0.9
257.11829	0.6
258.05267	0.7
263.03464	0.5
264.04355	0.6
265.05490	2.6
265.08636	4.5
265.11609	0.5
265.12296	0.4
267.07245	0.6
267.10178	3.8
268.10748	0.5
279.06433	0.4
281.08237	2.9
282.08664	0.4
283.09775	1.2
293.08298	5.6
293.11615	0.6
294.08783	0.5
302.68069	0.5
308.07037	0.5
309.11255	1.2
311.09305	8.4
311.12869	1.1
312.09708	1.3
337.10803	3.7
355.11884	100.0
356.12213	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	355.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86807	0.4
51.87667	0.4
59.01366	0.6
68.37728	0.4
69.03448	0.8
69.53337	1.8
69.94699	0.4
71.48405	0.4
72.59323	0.4
85.04693	0.4
85.22880	0.4
93.03464	8.5
93.07077	0.7
95.01415	0.8
95.05038	0.7
97.06597	0.9
99.04540	0.7
99.24148	0.4
107.05006	1.1
109.02974	0.5
117.03475	58.4
118.03791	2.2
119.05007	2.2
121.02903	0.4
121.06593	0.6
123.04539	0.8
133.06627	1.0
134.03740	0.5
135.04536	2.2
137.02467	0.9
137.06148	0.5
141.09758	0.4
145.03021	0.5
145.06609	1.7
147.08168	1.2
149.06105	5.5
151.03976	0.6
153.05632	0.6
157.06567	0.5
158.03726	0.7
159.04558	3.8
161.02470	3.2
161.06165	0.7
163.04121	0.4
163.07689	0.7
165.09253	0.7
166.99185	0.4
171.04562	0.7
172.05400	0.5
173.06071	3.8
175.07646	1.0
177.13620	0.4
185.06075	0.8
187.04062	0.9
189.05606	0.8
191.07138	4.0
193.08687	1.6
201.05612	1.3
209.06128	0.6
213.05644	1.1
213.09247	0.7
217.05124	2.6
217.08755	0.8
218.05434	0.5
221.09677	0.4
223.11327	0.7
225.05235	0.4
225.09218	0.6
227.07072	0.6
229.05095	0.8
234.06718	0.6
235.07608	0.7
235.09779	4.1
237.05612	1.9
238.06258	0.6
239.10815	0.9
241.08775	0.8
249.09166	1.1
250.09933	0.5
253.05157	1.5
255.10245	0.6
257.04562	1.0
261.07681	0.6
264.04132	0.8
265.05161	1.7
265.08603	3.3
267.10236	4.2
269.08542	0.5
281.08130	3.1
282.05435	0.5
283.06650	0.5
283.09869	1.4
283.13132	0.4
293.08173	4.1
293.11392	0.7
309.11465	1.0
311.09308	9.6
311.12808	1.2
312.09665	2.0
337.10849	3.0
355.11877	100.0
356.12247	13.9
356.16687	0.6
356.35352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60963	0.8
69.03465	1.5
69.50497	3.1
93.03472	8.6
95.01407	0.8
98.21880	1.4
101.90862	0.8
105.28981	0.8
107.05054	1.0
117.03478	70.8
118.03807	2.8
119.05020	2.7
121.06596	1.5
123.04532	1.0
128.92453	0.8
134.03630	0.9
135.04541	3.0
137.02383	0.9
137.06096	1.7
145.06590	2.6
147.08231	1.1
149.06100	6.6
154.85791	0.8
159.04578	4.5
161.02473	2.0
163.07637	0.9
165.09203	1.4
171.04430	1.7
173.06050	4.4
189.05544	1.1
191.07124	4.6
193.08691	1.7
201.05557	1.6
213.05611	1.1
215.07538	0.8
217.05060	3.0
235.09749	4.5
237.05574	3.5
238.06158	1.3
239.07033	0.8
239.10817	1.7
241.08887	1.0
249.09172	0.8
253.05139	1.7
255.06703	0.9
257.04440	1.1
261.07706	1.0
264.04276	1.6
265.05072	2.7
265.08704	3.6
267.10233	4.3
281.08203	3.4
283.09818	1.6
284.81137	0.8
293.08252	5.0
309.11276	1.1
311.09290	9.2
311.12723	1.4
312.09854	1.4
337.10757	4.0
355.11890	100.0
356.12234	10.9
356.98398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33924	0.7
59.01382	2.9
63.66590	0.7
66.76615	0.8
71.01376	2.2
71.41794	0.9
73.02948	1.3
89.02470	1.8
93.03445	5.9
97.06573	1.6
107.05039	1.1
109.02991	1.0
117.03479	54.0
118.03823	2.4
119.03519	0.8
119.05019	5.6
121.06650	0.9
123.04541	1.3
130.08777	2.0
132.02315	0.8
135.04544	3.3
145.02849	0.8
149.06105	3.0
159.04527	2.6
160.73143	1.0
161.02502	4.1
163.04105	0.8
163.07777	1.2
171.04526	1.2
173.06104	2.3
175.07721	2.1
191.07205	2.2
193.08707	1.4
201.05605	1.5
217.05182	1.5
234.07111	0.8
235.09724	2.9
237.05554	1.7
241.05016	1.1
253.05052	2.1
257.04590	1.2
265.05103	1.3
265.08707	1.1
267.10257	3.2
281.08243	14.5
293.08301	2.2
293.11722	1.0
296.97464	1.1
305.10153	0.9
311.09305	5.7
311.12680	1.5
312.72562	0.9
335.46231	0.9
337.10919	2.6
355.11890	100.0
356.12207	12.1
356.25293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32529	0.6
54.80920	0.7
56.54032	0.7
58.68958	0.7
59.01390	1.3
65.00330	1.2
69.03464	1.4
69.22280	4.7
72.99312	0.8
93.03461	7.7
95.01399	1.6
97.06589	2.9
98.21893	1.9
99.00883	1.2
107.05046	1.4
114.35732	0.7
117.03483	100.0
118.03831	4.1
119.05042	18.3
121.03014	1.0
121.06600	1.2
123.04571	1.5
134.03777	1.2
135.04553	2.4
137.06133	1.6
145.02971	2.3
145.06554	1.1
147.04556	1.0
149.06111	3.8
151.04019	1.2
151.64670	0.8
159.04579	5.1
161.02371	1.7
161.06134	2.0
163.07628	2.0
165.05521	1.2
165.09227	1.3
171.04552	1.5
173.06110	4.8
177.09187	0.9
185.06172	1.1
189.05640	0.8
191.07120	4.5
193.08704	1.4
201.05536	4.0
202.68626	0.9
211.03998	0.8
211.07661	1.0
213.05594	1.8
215.03510	1.1
217.05061	2.5
217.08760	0.8
221.06168	0.9
227.07219	1.5
229.05000	1.6
235.09749	11.9
236.10158	1.1
237.05553	1.9
238.06229	1.2
239.03629	0.8
239.07188	1.7
239.10780	1.3
244.25801	0.8
249.09311	2.4
252.07953	1.0
255.06639	1.7
255.10297	1.3
257.04651	3.5
263.03586	0.9
264.04352	3.3
265.05130	3.5
265.08728	5.5
265.12274	0.9
266.05688	1.0
267.06747	0.9
267.07190	1.1
267.10275	7.9
281.08182	4.5
283.09818	1.5
283.13235	0.8
293.08237	6.8
293.11847	4.0
294.09131	1.2
309.11435	1.2
311.09308	15.8
311.12994	3.4
312.09644	1.8
337.10968	6.3
340.47934	0.9
355.11917	95.9
356.12265	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	355.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99289	0.4
60.91891	0.5
65.00349	0.8
67.01882	1.6
68.99837	1.0
70.05406	1.2
79.11487	0.5
85.02941	0.6
86.76310	0.5
93.03491	1.0
93.07103	0.8
95.05093	0.8
97.06609	0.5
98.22014	0.7
108.02195	0.8
110.00110	1.7
111.00919	1.3
117.03488	2.1
117.35838	0.4
119.05046	100.0
120.05386	4.5
121.06606	1.0
123.04536	1.8
136.01688	1.1
136.98804	0.5
137.06107	5.6
139.03998	0.6
139.07700	1.4
145.02960	1.4
147.08167	0.5
151.31049	0.5
161.02487	0.5
161.06116	1.3
163.07654	3.6
165.05603	16.8
166.06015	0.7
171.10374	0.5
187.03998	1.3
191.07195	3.9
199.94154	0.5
207.06717	3.2
209.08374	0.6
211.13406	0.5
235.06142	16.5
236.06540	1.7
257.11841	1.3
262.39371	0.5
268.66122	0.5
283.13306	1.2
285.11279	1.4
309.20468	0.5
327.21884	2.5
355.11859	11.2
355.16043	0.6
356.12360	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92362	0.7
61.54867	0.7
65.00336	2.0
65.03961	1.0
67.01880	1.2
68.99825	1.0
69.68528	2.4
81.03456	0.8
83.01402	1.7
93.03469	10.8
97.06557	1.0
109.02977	2.5
111.00884	0.9
116.05162	0.7
117.03478	76.4
118.03793	3.6
119.05032	14.3
120.90898	0.7
121.02968	1.7
122.03717	1.3
123.04488	0.9
123.08139	1.8
133.06609	2.7
135.00888	1.6
135.04555	3.5
136.61629	0.9
136.98851	1.7
137.09706	2.3
138.63203	0.7
139.07678	3.0
143.05020	3.2
145.02977	1.4
147.08162	1.3
156.05849	1.0
157.06589	2.0
159.04520	10.4
160.04926	1.1
161.02457	3.1
163.11304	1.7
164.04829	1.3
165.09236	14.4
167.07121	1.5
171.04539	0.9
172.05286	0.8
179.10780	1.0
183.04539	3.4
185.02481	0.8
185.06026	1.8
187.04037	7.8
189.09244	3.3
191.07210	0.9
193.08727	11.8
199.03987	1.0
200.04803	2.7
201.05588	12.8
202.05879	0.9
207.10294	10.7
211.04004	0.8
213.05696	1.1
213.12848	3.1
213.26453	0.7
217.08800	1.4
226.06328	1.0
227.03539	2.7
227.10944	0.8
228.04323	1.3
229.05057	1.4
233.08057	1.1
235.06149	1.1
235.09795	8.8
238.06427	0.8
239.03459	1.4
239.07306	1.0
240.04330	1.6
241.12387	2.1
242.06010	0.7
255.03009	7.0
255.13986	1.4
257.04553	1.6
257.11859	34.6
258.12189	3.1
261.07703	1.6
281.11835	1.2
283.13452	5.7
284.13821	1.2
285.11545	1.2
299.12885	18.9
300.13312	1.3
309.11374	2.1
311.09433	1.6
311.12933	3.0
327.12396	17.0
328.12793	2.2
355.11884	100.0
356.12253	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77335	0.3
65.00327	0.4
68.99823	1.0
70.27387	0.7
74.96432	0.8
76.96140	0.4
78.95904	1.0
93.03474	1.9
93.07100	4.6
93.20158	0.3
95.05025	1.2
110.94117	2.5
112.93815	4.7
114.93533	0.8
117.03481	0.9
119.05035	100.0
120.05382	5.4
121.06582	0.4
123.04559	0.7
132.05850	1.0
135.04521	0.5
136.98799	0.9
137.06032	1.8
139.07677	0.6
143.05054	0.6
145.02971	1.8
147.08186	1.7
148.29382	0.3
148.41972	0.4
161.06128	2.5
163.07651	6.0
165.05579	42.5
166.05927	1.7
187.04100	1.2
189.05569	0.4
191.07179	0.7
206.92003	0.8
209.08276	0.5
217.05055	0.5
222.87088	1.0
224.86880	0.9
235.06024	1.8
257.04715	0.7
257.11890	3.4
283.13373	2.1
285.11374	1.5
337.10977	0.4
354.82520	0.6
355.11884	7.5
355.15762	0.4
356.12271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1191
Annotation	Erabulenol A
Peak:m/z	Relative Intensity
53.11949	0.6
59.01381	2.1
60.91170	0.7
62.41992	0.7
69.03453	1.1
69.29033	1.3
69.29440	2.3
73.02926	0.8
81.03485	0.7
88.50073	0.6
93.03468	9.1
93.07143	0.7
95.01425	0.7
97.06588	1.8
106.86687	0.7
109.02982	1.6
117.03483	58.3
118.03836	2.5
119.05032	2.9
121.06649	0.9
123.04485	0.6
130.04283	0.7
133.06631	1.0
134.03743	3.8
135.04495	3.3
137.02480	1.1
137.06151	1.0
144.24496	0.7
145.06619	1.6
147.08160	1.4
149.02461	0.9
149.06097	10.1
151.02255	0.8
159.04575	4.0
161.02480	3.9
161.06142	0.9
163.07640	0.9
171.28838	0.8
173.06111	4.6
175.03958	0.8
175.07683	0.9
178.02713	2.8
187.03960	1.1
189.05583	1.2
189.09261	1.0
191.07150	6.3
193.01399	1.1
193.05077	6.2
193.08759	2.7
201.05536	1.1
211.43990	0.6
213.05704	1.5
213.09178	0.9
217.05077	5.5
227.07339	0.9
235.09793	4.2
237.05487	1.3
238.06386	0.7
239.07217	0.9
241.08760	1.4
253.05104	2.4
257.04608	0.8
258.05292	0.7
261.07639	0.8
265.05078	1.7
265.08768	2.6
267.06735	1.0
267.10303	4.2
268.42072	0.8
281.08261	9.4
283.09723	0.9
293.08270	3.5
293.11328	0.9
309.11475	1.0
311.09433	6.4
311.12747	1.4
337.10733	3.1
355.11899	100.0
356.12247	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1189
Annotation	Brosimacutin G
Peak:m/z	Relative Intensity
59.01374	2.0
59.30329	0.6
61.97060	0.6
61.98838	1.6
65.00320	1.8
67.01871	0.7
68.99826	7.5
69.13445	3.8
72.66904	0.6
82.00617	1.7
83.01382	1.1
86.61526	0.9
93.03462	8.0
93.07104	1.1
95.05042	1.3
97.06597	1.3
98.03732	0.6
98.21899	1.5
108.02190	0.6
110.00101	12.2
111.08213	0.7
117.03500	5.6
119.05039	100.0
120.05376	4.9
121.02982	5.9
121.06594	1.7
123.04564	0.9
136.01668	0.8
136.98816	3.3
137.06073	3.7
139.07669	11.6
143.04990	1.5
145.02969	23.3
146.03346	1.1
147.08238	1.0
150.03300	0.8
161.06120	4.9
163.07681	2.5
165.05589	48.2
165.09363	1.1
166.06035	3.3
167.07257	1.0
173.68246	0.6
185.06117	3.9
187.04099	1.1
189.05563	0.8
191.07109	4.3
202.34367	0.7
203.07172	1.7
209.08205	6.6
215.10635	0.9
216.04245	0.7
219.09644	0.6
229.04977	1.3
231.06693	1.4
233.08284	1.9
235.06110	3.4
257.04590	2.1
285.11365	20.3
286.04919	1.5
286.11734	2.2
337.10986	0.8
355.11935	11.7
355.19366	3.5
356.12054	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85746	13.1
71.41387	14.0
78.13832	11.8
82.76946	11.5
119.05045	72.1
171.10374	15.0
183.01213	50.3
284.23929	11.3
289.18225	21.3
307.19150	15.6
338.94525	12.3
355.11783	33.8
355.19452	100.0
355.23734	12.4
356.20013	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	355.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00056	0.8
55.01866	1.5
57.03438	0.9
58.00587	1.1
59.01384	100.0
71.01389	48.5
72.01761	1.6
72.99303	1.8
73.02934	1.4
79.84665	0.9
83.01387	1.4
85.02946	9.0
87.00890	1.7
89.02451	57.6
90.02775	1.1
93.03509	1.0
94.11686	0.8
95.01403	3.9
101.02448	22.8
106.03013	2.1
109.02956	2.9
113.02467	17.9
117.03404	1.1
117.13187	0.8
119.03514	24.1
120.03849	1.2
131.03511	1.6
133.02898	0.9
135.04462	0.9
143.03519	2.4
148.04074	2.2
149.04582	1.6
152.03560	1.4
153.68918	0.9
161.04601	1.8
175.07652	48.9
176.07973	3.3
178.01427	0.9
179.05602	4.0
188.37535	0.8
196.96442	0.9
213.05743	1.0
220.02576	2.7
222.04111	2.1
224.54642	1.2
295.50385	0.8
312.08917	1.7
324.08917	1.6
338.06790	1.0
338.10336	1.6
355.13992	2.3
356.07828	2.6
370.98566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.91259	0.7
61.98828	1.4
63.04699	0.9
65.00314	1.6
69.49570	3.3
91.75620	0.7
122.03745	9.5
135.04530	26.1
136.04861	0.9
147.08147	2.9
149.06099	2.3
149.09714	6.5
161.09753	7.6
163.07697	4.0
163.11295	46.5
164.08423	14.4
164.11623	2.8
165.09138	2.6
171.04544	1.2
177.09225	61.3
178.09998	18.6
179.10786	100.0
180.11163	5.3
187.11345	1.5
191.10785	12.4
192.11215	0.9
193.08694	3.9
210.25510	0.8
265.12405	1.7
269.04642	1.0
270.04904	2.6
279.13919	0.9
280.14661	2.9
297.15298	1.3
298.15756	48.6
299.16132	4.9
307.17053	2.5
321.18564	1.8
322.19266	1.4
337.21750	39.3
338.22046	6.0
340.20435	76.5
341.20700	8.6
355.22794	93.3
356.23160	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	356.078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91423	23.9
51.56491	26.9
60.24360	23.0
65.00333	35.9
69.36463	100.0
70.01467	20.8
71.55788	21.7
89.43242	19.6
105.86459	23.3
121.02927	30.3
125.35760	24.0
125.54435	26.2
149.02412	22.4
159.61165	25.7
161.48831	20.5
172.77548	24.1
177.99088	21.7
206.04486	31.7
242.08182	53.5
260.98996	25.3
270.07721	67.1
296.05762	31.0
312.08853	72.1
338.10349	66.0
356.07834	54.5
356.11545	41.1
356.15237	32.0
358.07068	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	356.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00329	0.3
52.31892	0.2
55.64543	0.3
65.00323	0.6
65.99838	1.2
68.01427	0.2
68.99820	0.6
69.36908	1.4
70.90922	0.2
78.14424	0.2
81.02158	0.3
92.01407	0.3
96.00902	1.8
98.02467	0.3
98.99635	0.6
105.99315	0.3
114.01976	2.7
118.81361	0.3
119.48660	0.3
120.00922	13.6
120.99353	0.6
121.01752	0.4
124.00430	1.7
133.01715	0.7
136.00407	5.2
137.00879	0.3
142.01474	3.9
142.08600	0.3
148.00447	1.5
148.98778	1.2
149.00089	0.2
149.01155	1.7
151.99899	0.3
153.07188	0.4
156.03053	3.6
157.06587	0.5
159.85396	0.3
163.99908	10.3
165.00604	1.2
166.01462	0.6
169.06578	0.7
171.04539	1.3
173.01140	0.3
175.99847	0.3
177.00711	2.5
178.01303	0.3
178.04971	0.2
180.08229	0.9
181.06659	0.7
184.02568	1.3
190.01451	1.3
191.99393	12.6
192.99738	0.6
196.07700	0.4
197.06163	0.5
198.05566	0.5
205.00163	1.9
206.04485	0.3
208.07626	0.6
209.06250	0.5
210.05667	0.4
211.04129	0.3
212.07129	0.8
213.05452	0.3
218.00931	7.0
218.02977	0.5
219.01376	0.4
224.07204	1.2
225.05676	1.7
226.05101	4.8
228.06812	0.3
240.06685	8.3
241.07048	1.0
247.66298	0.3
250.05081	0.3
251.05769	0.3
252.01566	1.3
252.06673	1.6
253.05016	1.0
254.04614	5.9
255.05060	0.6
268.06155	27.4
269.06650	3.5
270.07663	0.4
281.03360	0.8
284.09305	1.2
296.05649	100.0
297.05997	8.9
324.05219	1.2
338.10269	0.6
356.07767	65.6
357.08066	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	356.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86386	1.4
53.13237	1.4
58.53709	1.8
65.00337	2.9
65.99852	3.0
69.49476	5.8
69.49837	2.5
92.99786	1.9
96.00906	1.6
98.02457	2.1
108.00961	2.0
109.02873	1.4
114.01952	3.9
116.04330	2.0
120.00937	5.6
121.01743	1.7
121.02971	2.8
125.02469	4.3
133.01741	2.3
134.02481	2.9
134.06126	4.1
136.00444	7.3
142.01480	11.1
149.01173	2.7
151.99899	2.3
153.01968	1.7
156.03049	4.8
157.46448	1.5
163.99884	9.8
165.00691	1.7
169.06549	2.1
171.04515	5.6
177.00658	3.7
180.08162	4.5
184.02528	2.0
189.65135	1.7
191.99399	8.7
196.07657	2.8
198.00417	1.6
198.05731	1.9
205.00249	2.5
206.04590	2.5
208.07668	9.2
209.06084	4.9
210.05624	2.7
218.00874	1.7
224.07068	2.7
225.05627	5.3
226.05150	3.9
234.04013	3.7
236.07181	11.9
240.06606	11.4
242.08171	1.6
250.05309	1.6
252.06667	4.2
268.06161	37.5
269.06668	3.3
270.07724	4.1
280.06238	18.3
281.06592	2.0
285.04364	1.5
291.28775	1.6
296.05670	100.0
297.05939	9.7
298.07193	9.7
299.00058	2.4
306.04031	5.3
324.05164	16.8
338.06616	3.1
338.10413	8.9
356.07767	82.4
356.11163	4.3
357.08231	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	356.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67884	0.3
54.14832	0.4
54.28859	0.4
65.00318	1.6
65.99843	3.1
68.06781	0.4
68.99805	1.2
76.48965	0.4
81.02191	1.0
82.02979	0.4
83.01395	0.9
84.04527	1.7
94.02985	0.8
94.06588	0.5
95.01418	0.7
96.00912	1.2
96.04555	0.7
98.02482	7.6
109.01714	3.7
110.02498	3.2
110.06109	0.6
111.00845	0.5
119.04991	1.0
120.00910	1.8
121.01704	3.1
122.02522	2.2
122.06084	0.6
123.03288	5.4
124.00384	0.6
129.24184	0.5
134.02490	5.0
134.06134	2.8
135.03300	7.5
135.04337	0.8
136.00410	2.9
136.03798	0.5
137.01196	1.3
138.01999	3.3
138.05630	0.5
140.07185	1.4
144.44861	0.4
146.06134	0.6
147.04463	0.7
148.04024	0.6
150.01959	0.7
151.02774	6.2
151.03902	0.8
152.03506	0.5
155.02219	1.1
156.08188	0.5
157.06589	0.5
162.05597	0.7
163.99785	0.5
165.00696	10.6
166.01491	4.4
166.05119	6.8
167.74939	0.5
171.04535	4.2
173.06081	1.3
178.01450	0.7
178.05194	0.4
181.06607	0.8
184.06169	6.4
184.07642	0.4
185.06152	0.7
190.05083	2.2
191.59581	0.4
192.03033	4.2
197.06015	0.4
199.07675	0.5
200.07222	1.7
202.08765	0.7
206.04613	1.8
208.06046	0.4
209.06128	1.3
212.75201	0.4
224.07251	1.4
225.05507	0.9
226.08765	4.7
227.07059	0.7
228.06682	4.5
234.04056	5.4
241.07477	1.0
242.08243	55.0
243.08643	3.7
252.06770	1.8
252.10231	0.5
253.07362	0.5
254.05736	0.7
268.06284	1.1
269.06976	5.2
270.07721	100.0
271.08078	7.8
294.11417	1.4
296.09247	1.3
310.07309	0.6
312.12500	1.0
324.05145	0.8
337.35309	0.5
338.10367	40.2
339.10754	4.0
352.51901	0.4
356.11420	76.1
357.11734	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	356.1142
Annotation	CHEBI:69406
Peak:m/z	Relative Intensity
50.39622	0.8
59.05675	0.8
65.00327	1.9
65.99856	2.6
68.99822	2.4
81.02213	1.3
84.04547	1.0
94.03017	1.3
96.00931	1.2
98.02483	6.5
108.04565	4.8
109.01705	3.4
110.02496	3.9
113.39589	0.8
120.00925	1.2
121.01717	3.2
122.02547	1.3
123.03269	6.0
134.02492	5.5
134.06116	2.2
134.07117	0.8
135.03279	7.8
136.00394	3.4
136.81206	1.0
137.01224	1.7
138.01993	3.3
140.07179	1.4
145.06586	1.8
151.02776	6.3
152.03638	0.9
152.22707	0.7
155.02304	1.5
157.06653	1.6
165.00685	11.0
166.01462	2.5
166.05132	8.0
171.04539	8.2
172.04738	1.0
173.06076	2.0
184.06239	5.7
184.07576	1.0
185.06042	0.9
190.05080	2.5
192.03061	3.8
197.02693	1.7
206.04597	1.6
224.07307	0.9
226.08792	4.3
228.06598	2.8
234.04059	4.7
241.07425	1.4
242.08253	60.9
243.08644	4.9
246.83817	0.9
269.06940	4.6
270.07730	100.0
271.08102	7.4
280.09885	1.6
294.11432	2.8
296.09354	1.8
312.12512	1.8
324.08786	2.3
338.06293	2.2
338.10364	40.7
339.10767	4.8
356.11423	81.6
357.11807	9.5
357.17349	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	356.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
68.65813	0.4
68.99828	1.1
72.99328	0.6
74.77314	0.4
81.03433	0.6
82.02995	0.7
87.00924	0.5
91.26180	0.4
92.05081	0.9
94.03011	1.2
96.96008	1.2
97.02984	0.7
105.03468	0.9
106.02966	0.6
107.02554	0.5
107.05054	0.5
109.02943	0.7
111.99608	1.6
117.03510	0.6
119.05074	0.9
128.07193	1.3
132.04567	16.5
133.02986	0.5
133.04961	0.5
134.02521	0.6
134.03752	0.4
134.06160	0.9
135.04565	1.0
137.02422	0.4
148.04045	1.0
155.98608	1.6
164.07176	100.0
165.07538	4.9
171.04539	3.4
173.06119	0.6
174.05615	0.5
174.07634	0.5
176.03519	1.5
177.02048	0.6
190.05130	3.4
197.06117	1.0
198.09325	0.7
206.08231	34.2
207.08534	2.0
208.06140	1.6
218.04649	0.6
220.02502	0.9
222.07709	1.7
250.07228	3.6
269.04477	0.7
271.04517	0.4
280.09851	3.4
303.82608	0.4
312.12439	0.7
324.08777	2.6
338.06631	1.0
355.87018	0.5
356.07700	1.7
356.11426	1.8
356.29242	0.5
357.06140	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68052	0.8
65.00332	2.1
65.99861	1.3
68.99816	0.9
71.01372	1.0
72.99279	0.9
73.15872	0.8
74.33836	0.8
81.03479	2.7
83.01398	1.8
94.06628	4.5
98.02491	1.9
104.02714	0.9
105.03487	1.3
106.03013	3.1
106.06627	1.0
108.02190	0.9
108.04522	1.0
108.49944	0.8
109.02962	6.5
110.02471	2.6
110.03172	0.9
110.06133	5.4
111.06474	0.9
116.03506	1.8
117.03467	1.3
118.06670	1.0
119.05077	1.8
121.02976	1.2
122.06125	1.4
123.00884	1.6
123.04437	1.2
124.01664	2.0
127.79252	0.8
131.05125	1.0
132.04573	2.2
134.02589	1.0
134.06134	48.1
135.00879	1.5
135.04556	3.3
135.06425	1.7
136.00378	1.0
138.01932	0.9
145.04536	0.8
145.06548	1.2
147.04518	2.4
149.02377	1.9
150.01988	0.8
150.05608	1.2
151.04021	2.7
152.03568	6.1
153.01958	1.2
155.08784	1.0
161.02472	1.7
162.05635	10.0
163.00366	0.9
163.03990	1.3
164.07193	1.2
164.98286	1.2
165.99039	1.2
166.05103	13.4
171.04501	1.1
173.06039	0.9
177.01933	2.6
178.01465	1.7
178.05087	3.2
178.35136	0.9
179.03438	1.3
180.06694	0.9
189.01834	1.1
190.05103	4.3
191.03502	4.1
194.04613	3.3
197.06142	1.6
197.47583	1.0
204.03136	2.6
205.05081	1.2
206.04591	32.6
207.02995	2.4
207.04819	2.0
208.06168	1.5
225.05498	2.0
231.03004	1.2
234.04099	42.6
235.04402	1.7
240.06718	3.6
243.06610	1.6
247.04848	1.7
250.03639	3.4
253.72903	1.0
266.11896	1.3
268.09802	2.9
269.04407	1.8
282.11340	1.9
292.09900	1.1
294.11356	3.0
295.06100	1.5
296.09332	1.1
310.11011	4.6
312.08972	1.4
312.12378	4.7
338.10373	100.0
339.10666	12.9
356.07639	4.3
356.11447	22.1
357.12003	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	356.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	93.2
77.37817	11.1
80.62411	10.5
87.95523	13.4
88.53696	11.5
95.22060	12.7
95.25612	12.0
110.00143	15.8
116.19407	11.6
119.05057	100.0
120.05391	76.2
121.02972	24.6
135.04584	16.6
139.07684	12.4
145.02979	28.2
146.03275	15.8
150.96350	11.5
151.64258	10.6
165.05615	30.1
166.05962	45.8
236.06337	11.7
286.11710	23.0
356.12268	23.3
356.19934	18.8
357.13174	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	357.0113
Annotation	4-(N-Maleimido)phenyltrimethylammonium iodide
Peak:m/z	Relative Intensity
51.93941	0.7
55.77872	0.6
59.01373	2.0
61.98817	0.7
63.02390	0.8
65.00325	0.7
65.69747	0.6
70.68694	1.3
71.01377	1.5
72.83801	0.7
73.04086	1.5
74.02458	1.5
78.95942	0.6
79.95739	24.2
80.96541	1.3
83.01414	0.9
85.02955	1.4
87.00884	2.4
87.05611	0.9
87.13974	0.7
88.04040	3.2
91.01881	0.6
93.03446	0.9
106.97274	2.9
107.01389	1.7
107.05043	10.6
109.02954	2.6
113.02446	0.9
113.03604	0.7
114.05589	0.9
116.07191	2.8
117.03504	3.9
118.03801	1.5
119.05035	4.0
121.02934	1.5
122.03751	35.5
123.04086	1.4
127.05079	1.1
129.10326	1.1
130.08754	4.0
133.02966	7.3
135.00893	0.8
135.04529	1.1
137.02435	1.2
143.11832	0.9
149.06224	0.6
151.04048	1.0
153.01944	2.1
161.02414	0.9
161.04613	0.9
163.00366	1.2
166.08743	1.4
170.00424	1.1
175.03995	1.6
180.02837	0.8
185.16591	1.5
185.99931	59.9
187.00583	5.0
195.06667	1.9
197.09547	0.7
199.03882	1.0
213.09274	0.9
217.05081	1.5
228.17247	2.4
243.03081	0.8
249.06076	1.4
253.04906	1.0
264.66177	0.8
269.04572	4.0
270.04114	1.0
275.86868	0.7
277.05414	82.6
278.05750	7.1
281.04449	0.9
285.04053	2.5
286.07352	0.8
287.05609	1.1
296.05627	2.3
313.22672	0.9
321.06885	0.9
327.08795	1.0
340.04770	1.2
340.18777	1.6
356.12311	2.8
357.01086	100.0
357.12500	6.6
357.17847	1.2
357.21539	8.3
358.01355	9.7
358.05719	8.7
358.19855	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0619
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
56.57493	0.3
59.01385	0.6
60.03178	0.3
69.25988	0.7
69.26385	1.5
98.21832	0.5
112.93802	0.9
114.93465	0.4
119.05046	1.3
121.02966	100.0
122.03296	3.5
165.01958	0.8
180.05820	1.6
181.06598	6.2
182.06984	0.4
184.30650	0.3
225.05594	6.7
226.05753	0.5
313.07224	8.1
314.07541	0.9
357.06161	31.2
357.13333	1.0
357.17554	0.9
358.06564	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	357.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73685	4.2
58.02984	9.6
59.01385	13.0
70.02980	16.0
74.02478	21.9
80.91695	8.1
82.03017	6.2
83.01409	7.2
93.03483	10.4
96.00941	24.8
96.04589	12.6
97.04073	7.7
99.05644	6.7
99.92583	5.9
100.00419	14.4
108.02182	13.4
108.04559	6.8
109.02963	15.7
112.04057	8.2
112.07748	6.1
113.03568	12.9
114.01965	27.1
116.07188	17.9
117.03480	27.2
119.05092	5.1
124.04033	8.5
127.05141	13.2
129.10342	13.1
130.08772	9.9
131.04666	15.1
133.02980	15.4
137.02458	10.8
140.07138	12.4
149.02486	5.6
152.01202	8.4
152.03549	5.9
153.01770	8.6
155.08264	21.3
161.02371	5.1
165.06711	18.4
166.90811	4.4
182.12921	7.8
183.07767	29.5
186.78667	4.8
198.02507	5.9
200.14066	5.2
204.02765	5.2
205.04681	7.0
224.14055	6.4
227.06694	51.1
242.15285	6.6
242.18784	19.2
249.05241	100.0
250.03430	5.9
251.07343	5.8
267.06589	42.6
275.07135	36.3
277.05109	5.2
295.06097	53.7
297.03992	44.0
357.06927	13.8
357.17752	7.7
357.21271	23.5
357.25522	23.7
358.05624	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	357.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01376	0.3
59.47803	0.2
65.00327	1.6
67.01891	0.7
68.99820	1.3
70.25675	0.4
71.01404	0.2
73.84684	0.2
81.03465	0.9
83.01393	9.8
84.01720	0.2
85.02959	0.4
87.05656	0.2
93.03484	0.3
96.00935	0.2
97.02958	0.4
98.02486	0.2
105.61192	0.2
107.01389	2.8
108.02219	0.3
109.02966	3.8
111.00890	0.7
119.05033	0.5
121.02988	0.4
123.04464	0.3
124.01643	0.2
125.02462	7.1
126.02772	0.3
129.06734	0.2
130.08765	0.7
133.02985	0.3
133.67186	0.2
135.04512	0.2
137.02470	0.8
139.04024	0.8
149.02449	1.3
151.00388	14.7
151.03995	0.4
152.00903	0.8
153.01952	100.0
154.02283	4.3
165.01877	0.3
167.03513	1.2
177.01965	1.4
186.00041	0.3
195.02983	4.0
219.02859	0.2
226.08412	0.3
274.37677	0.2
277.05411	0.5
286.96991	0.2
357.01074	0.6
357.08298	3.9
357.12573	0.3
357.21710	0.3
358.08844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
63.02404	0.2
65.00328	1.8
67.01889	0.8
68.99825	1.6
69.03467	0.3
69.25177	0.7
69.25580	0.4
73.02954	0.2
81.03471	0.9
83.01395	10.6
84.01723	0.3
85.02962	0.3
93.03483	0.4
96.00918	0.2
97.02960	0.4
98.08021	0.2
98.21925	0.4
107.01407	2.4
109.02966	4.8
111.00876	0.6
119.05048	0.2
121.02981	0.5
122.03798	0.2
123.00860	0.2
124.01653	0.3
125.02460	7.1
130.08717	0.5
133.03008	0.2
135.80373	0.2
137.02431	0.8
139.04054	1.2
149.02454	1.5
151.00389	15.0
152.00972	0.8
153.01952	100.0
154.02286	4.2
165.01971	0.4
167.03493	1.2
177.01959	1.5
185.99811	0.3
195.03012	4.5
212.02974	0.2
219.02963	0.3
277.05563	0.3
328.36584	0.2
357.01270	0.4
357.08331	4.4
358.08896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77488	0.4
65.00324	0.5
69.05232	0.6
69.05643	2.2
73.57365	0.4
92.99784	0.4
94.28498	0.4
98.21912	0.9
101.03967	1.8
115.05574	0.6
117.03478	4.4
121.02966	0.5
141.07121	0.9
145.02962	4.1
147.04524	0.8
151.05550	2.5
165.07124	3.0
167.05008	1.3
168.05539	0.4
169.06575	3.0
171.08253	0.7
176.68317	0.4
180.05830	0.7
181.06616	2.6
183.08145	0.9
193.06630	1.1
195.04526	0.5
197.06116	0.8
203.47888	0.3
207.08138	1.0
209.06123	2.6
210.46368	0.4
211.03966	0.6
213.16460	0.3
221.06087	6.0
222.06477	0.7
227.07178	2.1
241.10248	8.1
242.10611	1.1
253.05098	1.4
253.10402	0.8
254.05460	0.4
256.09018	3.1
257.09747	3.7
258.10068	0.5
269.09729	17.1
270.10266	2.1
271.08249	0.7
271.11273	4.0
272.11661	0.7
279.06564	0.4
280.09070	2.2
281.09708	3.6
283.11215	0.7
285.09229	1.0
285.12732	0.5
287.10699	0.9
293.09872	0.6
295.11307	1.5
296.08829	0.5
297.09222	12.3
298.09613	2.0
299.10883	4.1
300.11047	0.9
301.12082	0.5
301.85858	0.5
309.09244	0.9
311.10760	0.6
313.12384	0.9
315.10272	5.8
316.10349	0.7
325.08701	4.8
326.08878	0.6
327.10217	0.7
329.11874	3.7
339.10577	0.6
343.09778	1.1
355.09738	1.0
357.11353	100.0
358.07181	0.9
358.11673	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	357.1195
Annotation	Gardaloside
Peak:m/z	Relative Intensity
57.03454	1.5
58.00589	1.2
59.01384	46.9
69.85490	1.6
69.85882	2.1
71.01389	19.3
72.99311	2.4
73.02955	1.8
79.95764	1.3
80.96534	1.1
81.03458	0.9
83.01391	2.2
85.02963	4.2
87.00893	2.5
89.02457	18.9
95.01398	2.0
97.02998	1.1
98.02420	0.8
101.02450	13.3
108.02187	2.1
109.02985	1.2
111.00855	1.1
113.02450	7.7
117.03484	0.9
119.03539	7.8
119.05019	4.3
123.04563	2.1
123.33515	0.8
134.03743	1.6
135.04524	1.4
139.03954	0.8
143.78484	0.8
145.02975	1.7
151.03986	1.7
152.03557	1.1
161.02483	2.9
161.04646	1.7
161.06010	2.0
162.03241	69.9
163.03746	3.9
165.05557	1.0
166.05081	0.8
177.05585	100.0
178.05930	7.2
179.05620	1.3
183.01027	0.8
195.06657	2.7
251.12804	1.1
263.19333	0.8
269.08066	1.3
295.11655	1.0
313.13095	1.2
339.11005	1.2
357.07306	2.4
357.11865	5.7
357.15744	1.5
358.09155	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Synargentolide D
Peak:m/z	Relative Intensity
51.84658	1.2
54.24534	1.1
55.01878	1.2
56.72699	0.9
57.03424	1.4
59.01386	100.0
60.01721	1.1
61.98840	1.1
69.03457	1.8
71.01393	38.3
72.99311	1.3
73.02953	68.8
74.02486	5.3
74.03264	1.5
75.00891	1.2
83.01394	11.4
85.02966	9.7
87.00886	2.7
88.04021	1.3
89.02458	19.5
92.05080	7.7
92.47382	0.9
95.01392	3.0
98.02468	2.6
98.22609	3.0
101.02454	39.3
102.60282	0.9
107.05044	1.5
112.72693	1.1
113.02457	16.3
116.07185	6.0
119.03528	8.2
119.05032	1.3
123.04536	19.8
125.02399	1.9
131.03546	1.4
135.04543	87.1
136.04034	17.7
136.04871	1.6
143.03470	1.8
146.86705	1.3
149.04474	1.3
153.01917	2.5
153.05591	20.1
155.03519	1.1
161.04553	3.7
185.16597	2.9
236.15321	1.0
242.18787	1.3
269.11511	1.5
273.17358	1.0
275.68298	1.1
297.09818	32.2
297.13263	1.6
298.10129	2.7
301.56937	1.1
313.14484	1.1
315.10892	65.6
316.11258	6.6
357.08063	1.3
357.11948	27.4
357.21442	11.0
358.12158	2.4
358.16135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73441	0.8
54.85642	0.9
65.00323	4.3
67.51585	0.9
67.71042	0.9
68.99825	9.7
69.09505	3.8
69.09921	3.0
83.01383	1.3
93.03469	32.1
94.03838	1.1
97.06584	1.2
98.22711	2.0
99.08131	1.0
108.02187	1.3
110.00109	1.5
111.00894	1.2
117.03474	5.5
119.05042	100.0
120.05391	6.1
121.02967	2.9
121.06594	2.6
123.08221	1.2
124.01617	1.1
136.98790	4.5
139.07664	1.3
141.09222	9.1
143.05042	2.9
145.02968	36.8
146.03305	1.7
147.13448	1.0
149.09695	1.3
150.03273	1.3
151.07631	1.0
161.06108	4.2
165.09152	3.0
167.07155	49.6
168.07420	2.1
185.06050	6.4
187.03999	1.9
189.05592	1.5
192.95877	1.4
193.05093	1.4
193.08748	10.4
194.09181	1.1
203.07115	3.5
211.09784	12.1
229.05147	2.7
235.09715	1.2
237.07645	3.6
257.04553	6.3
287.12912	30.6
288.13217	2.1
352.13757	0.9
357.13492	19.8
357.20319	1.1
358.13785	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	357.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
69.03465	0.4
69.04891	0.8
69.05298	0.5
86.90002	0.2
88.18510	0.2
89.60184	0.2
93.03471	1.0
97.02950	0.3
97.06583	0.5
97.73906	0.2
99.04556	0.3
107.05032	0.8
109.02956	0.6
109.06635	0.4
117.03466	0.5
119.05042	100.0
120.05363	4.5
121.02979	0.7
121.06648	0.4
123.04546	0.5
125.06135	0.5
135.04555	0.6
137.04155	0.2
137.06078	0.8
137.09750	0.2
139.07693	0.2
143.05045	0.6
145.02975	0.7
147.08099	0.3
149.02458	0.8
149.06064	1.2
149.09714	0.4
151.04045	0.5
151.07672	1.0
163.04121	0.5
164.04785	0.3
165.09221	0.5
167.07149	0.9
173.06168	0.4
175.07669	0.5
177.05580	0.8
187.04016	0.9
191.07208	0.3
193.05072	0.5
193.08733	0.9
195.06715	0.3
209.08221	0.7
211.09712	1.3
219.06673	0.3
237.07695	13.2
238.08078	0.6
272.39456	0.3
295.13489	0.6
325.03336	0.2
339.12387	1.4
357.13449	6.4
358.13773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41674	0.2
55.11939	0.2
55.57100	0.3
55.60204	0.2
55.91969	0.2
57.03460	0.3
58.00082	0.2
59.23331	0.2
61.51057	0.2
70.49647	0.6
74.14257	0.2
76.05435	0.2
82.37308	0.2
93.03456	0.6
96.92729	0.2
97.06565	0.3
107.05046	0.7
109.02950	0.5
111.00835	0.2
119.05038	100.0
120.05367	3.8
123.04575	0.7
125.06056	0.3
135.04558	0.3
137.06125	0.3
139.07628	0.5
145.03033	0.4
147.08223	0.3
149.02443	0.8
149.06073	1.3
151.04105	0.4
151.07664	0.5
165.09233	0.5
167.07143	0.6
177.05600	0.4
191.07085	0.3
193.05022	0.3
193.08725	0.6
209.08278	0.4
211.09801	1.2
219.06630	0.4
237.07689	14.4
238.08090	1.0
239.07242	0.4
295.13278	0.3
339.12366	1.0
357.13474	6.8
358.13766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
57.09713	0.4
59.01370	0.4
69.03461	0.7
70.48746	0.8
71.05013	0.4
77.61055	0.4
81.03472	0.4
83.01385	0.5
85.06588	0.7
87.00895	0.6
93.03468	1.4
95.05090	0.5
97.02958	0.8
99.04516	0.7
105.03519	0.5
107.05040	0.8
107.55175	0.4
109.02947	2.6
109.06659	0.4
111.04523	0.6
119.05038	100.0
120.05371	4.3
121.02951	1.2
121.06613	0.7
121.10269	0.6
123.04544	1.9
125.02466	0.6
125.06097	0.6
133.02876	0.4
137.06111	1.2
137.09694	0.5
139.07687	1.3
145.02985	1.3
149.02425	3.9
149.06070	0.8
149.09731	1.2
151.04008	0.6
151.07704	1.3
153.05589	0.9
161.06088	0.5
163.03925	0.4
164.04706	0.4
165.09215	1.7
167.07149	1.9
173.06184	0.4
173.40248	0.4
175.07693	0.7
177.05626	2.2
183.01233	1.0
187.03957	0.5
191.07094	0.5
193.08711	1.6
203.07082	0.6
209.08183	2.7
219.06561	0.6
222.06822	0.5
237.07707	20.4
238.08058	1.4
239.07224	1.2
251.10747	0.5
267.06708	0.6
288.20889	0.5
295.09698	1.0
295.13306	0.7
339.12396	3.0
357.13480	14.9
357.17471	2.4
358.13898	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	357.1346
Annotation	Brosimacutin A
Peak:m/z	Relative Intensity
79.58676	1.3
82.89439	1.2
95.01421	1.2
107.05028	2.3
108.02155	2.1
108.74717	1.3
117.03485	2.2
119.05018	8.2
121.02942	2.2
122.03748	1.5
123.04559	2.2
131.96565	1.2
135.04526	2.4
136.01678	1.7
137.02460	1.6
150.03207	1.6
151.04106	1.9
153.01947	3.0
175.04036	5.6
176.04730	2.5
177.05528	6.0
178.06352	2.4
187.04062	1.8
188.04694	1.6
190.06351	5.6
191.07228	3.4
192.07921	2.0
194.07312	2.1
200.04819	2.0
203.07135	7.0
209.06050	3.3
210.06941	2.4
211.07738	1.8
212.08470	3.0
213.05629	2.3
221.06133	2.6
221.08202	5.1
222.05142	3.0
227.07169	4.1
228.07875	3.4
237.05624	5.4
238.06412	7.8
239.07103	5.9
240.07913	4.9
249.05618	2.0
250.06261	1.9
251.07138	1.7
253.05077	1.5
253.08806	4.0
254.05797	2.0
255.06580	7.7
256.07410	14.6
259.06140	3.3
265.05072	3.4
266.05814	4.8
267.02921	1.4
267.06656	9.6
268.07434	14.8
269.08051	2.4
271.09717	2.7
277.05304	4.0
281.08197	2.8
283.06104	3.8
283.09778	13.4
284.06952	11.7
284.09991	2.7
285.07440	2.0
291.53510	1.3
294.05374	5.5
295.06097	3.7
296.06845	3.5
297.07645	9.8
298.08246	2.0
299.09317	14.0
300.09497	1.3
309.07849	7.6
311.05762	2.2
312.06433	35.9
312.10068	2.1
313.06815	3.6
313.10532	2.2
324.10001	8.3
325.10590	1.6
327.08786	79.5
327.12378	5.8
328.09186	6.6
328.12543	1.5
339.12399	21.5
340.12674	1.6
342.11078	84.1
343.11475	7.2
356.68057	1.4
357.13474	100.0
358.13788	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	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12793	0.3
57.22284	0.3
57.68248	0.3
62.37086	0.3
66.01842	0.3
68.99780	0.3
69.03460	0.6
81.03522	0.3
82.03150	0.3
85.06650	0.4
85.10847	0.3
93.03469	0.7
97.06577	0.6
99.04519	0.7
107.05055	1.0
109.02954	0.8
115.34681	0.3
117.03484	0.9
119.05041	100.0
120.05375	3.6
121.02983	2.0
123.04536	0.8
125.06069	0.4
130.08745	3.1
135.04504	0.5
136.87694	0.3
137.06107	0.5
139.07666	0.5
145.02994	1.0
147.91472	0.3
149.02454	1.0
149.06099	1.3
149.08182	0.3
151.04066	0.4
151.07645	0.9
161.06081	0.5
163.04057	0.5
165.09218	1.0
175.07666	0.5
177.05574	0.7
187.04054	0.4
189.05626	0.5
192.95900	0.5
193.04997	0.6
193.08736	0.8
201.11311	0.3
203.07214	0.3
203.59157	0.3
209.08299	1.0
211.09798	1.4
219.06593	0.4
237.07698	14.8
238.08025	0.7
239.07143	1.0
241.01424	0.3
242.05914	0.5
255.99860	0.3
295.09760	0.9
295.13239	0.7
299.48282	0.4
312.05084	0.4
322.20270	2.1
339.12430	1.7
340.12769	0.5
350.83807	0.3
357.06689	0.8
357.08798	0.6
357.13464	9.8
358.09418	0.3
358.13809	1.7
366.20178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	Margicassidin
Peak:m/z	Relative Intensity
57.03435	1.8
59.01384	2.4
68.99830	1.6
69.03458	5.7
69.15765	1.0
69.55042	4.5
81.03509	1.2
83.01409	2.6
93.03468	5.2
95.01414	3.9
95.05058	1.3
97.06616	2.0
99.04551	3.5
107.05055	1.6
109.02956	3.1
111.36150	0.9
113.06090	2.0
115.03992	2.2
117.03474	1.7
119.05038	100.0
120.05362	5.5
121.02969	36.8
121.06591	1.9
122.03303	1.9
123.04530	4.1
123.08175	1.9
125.06030	1.2
135.04549	2.7
136.01703	1.2
137.02461	10.5
137.06097	2.1
139.07643	1.7
143.05035	2.7
145.02953	3.2
147.04509	2.4
149.02412	2.6
149.06093	4.5
149.09691	2.0
151.03995	7.0
151.07668	3.2
153.01880	2.0
153.05553	1.1
161.06094	3.5
163.04074	2.5
163.07600	2.4
165.00748	1.3
165.05618	1.6
165.09190	2.8
167.07138	4.6
173.06100	3.2
175.07701	1.1
177.05563	2.5
179.07188	1.5
181.06580	1.0
183.02530	1.1
187.04053	3.9
187.07646	1.6
189.05615	7.1
191.07144	2.2
193.04976	1.6
193.08774	4.4
195.06671	1.4
199.07718	1.4
201.05602	1.0
203.07146	1.2
207.06613	1.9
209.08199	2.9
211.09747	1.3
219.06653	1.8
222.06902	1.3
225.05663	1.5
225.09198	1.3
235.09793	2.2
237.07692	22.2
238.08099	1.9
239.10838	2.4
241.12289	1.1
243.06688	6.6
243.10251	1.6
251.10954	2.5
253.08765	1.0
257.04578	2.1
257.08160	1.7
266.05792	3.6
273.63977	1.2
286.06839	1.7
288.97098	1.0
295.09845	17.1
295.13248	2.5
296.10083	2.0
313.10861	9.5
336.82040	0.9
339.12305	9.1
340.12320	1.1
342.11136	1.2
357.06161	3.9
357.13452	58.1
358.13733	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	357.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	3.4
59.01382	9.8
59.46594	1.9
65.39957	1.8
69.14089	6.8
69.14513	7.5
70.03018	1.7
71.01389	7.5
72.99316	2.4
73.04064	2.8
74.02486	3.6
79.95752	25.7
80.96479	1.9
83.01413	2.1
85.02991	2.3
87.05645	3.5
88.04040	8.9
107.05061	11.0
109.02983	3.5
113.02510	3.1
114.05621	2.7
115.00394	2.6
115.08761	4.3
116.07195	36.3
117.03452	3.0
119.05035	9.6
121.02974	3.2
121.31477	1.7
122.03752	27.6
123.04643	2.1
126.05643	2.7
127.00405	1.9
127.05138	5.0
129.10385	7.1
130.08752	65.8
133.02985	8.0
135.04533	3.0
136.05266	3.0
140.07196	4.0
141.10361	2.0
151.04021	2.6
161.02480	3.0
162.03256	6.7
173.15796	1.8
177.05550	5.9
177.09302	2.5
180.10326	4.5
182.13034	6.9
183.11473	2.5
185.16618	40.9
185.99940	46.3
186.01591	3.1
186.16827	2.7
187.00446	4.1
187.98410	2.1
195.06645	26.0
195.15077	3.4
196.06882	2.0
196.14615	4.8
225.05588	2.1
226.11874	3.1
228.17198	8.6
229.15552	5.0
240.13501	3.0
242.18750	17.1
243.17166	2.8
269.04581	5.2
270.04083	2.7
277.05417	71.0
278.05762	5.0
313.07172	1.9
313.22491	4.0
321.98956	2.2
340.04929	2.2
340.18588	4.9
357.01132	78.4
357.08173	3.2
357.12827	4.9
357.21469	100.0
358.01410	8.9
358.05786	9.7
358.20114	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	357.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84652	0.6
57.03459	1.0
57.38248	0.6
58.84220	0.7
59.01385	1.4
63.99345	0.8
65.43622	0.6
69.04269	1.6
69.04663	4.0
98.21879	1.1
99.08169	5.7
119.05042	8.5
121.02989	1.7
132.53976	0.6
135.04492	0.6
137.06105	0.8
139.11342	1.3
155.14433	1.2
184.71339	0.7
193.16183	0.7
195.17581	1.0
199.13394	5.0
211.17073	6.1
221.15509	2.9
237.07733	1.2
237.15060	1.6
239.16541	34.1
240.16890	2.4
257.17624	15.9
258.17902	1.9
267.25314	0.7
357.13498	3.1
357.26498	100.0
358.26822	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	358.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25585	0.7
58.02971	2.8
59.01389	1.9
61.98551	1.1
61.98839	14.1
64.99564	0.6
70.27670	1.3
71.01379	1.4
72.00919	6.6
72.99323	1.1
74.02471	2.8
78.95918	1.5
82.02970	1.6
84.04560	1.2
86.02477	1.3
94.92503	0.8
98.21931	1.2
99.05661	8.6
100.00423	1.0
100.04050	1.8
101.07209	1.8
102.05626	2.4
108.90200	4.4
110.89939	4.3
112.04051	1.8
113.02436	1.2
114.27046	0.8
115.00387	0.9
115.05147	0.7
125.03587	3.8
126.04385	4.8
126.05190	0.7
126.05505	0.6
127.05128	4.9
128.03561	34.1
129.03909	0.8
133.01442	1.0
133.02950	0.9
135.05678	2.0
135.92130	4.9
137.07269	1.2
139.08778	1.8
139.97517	0.8
143.04617	3.0
144.06705	1.3
145.06195	3.0
150.04210	2.5
153.06731	2.6
156.00661	0.9
165.00673	0.7
165.99135	19.5
166.99452	1.0
168.00688	6.0
174.16930	0.7
177.68297	0.8
179.04645	2.6
182.02246	2.6
182.96982	1.5
183.01790	21.5
183.07808	1.6
184.00179	2.9
191.02261	2.7
195.01859	1.1
197.03345	30.6
198.03693	0.8
198.12456	0.9
201.08830	1.8
206.42342	0.7
207.01694	1.1
208.99664	1.7
209.03343	5.0
210.08804	0.7
211.04890	4.4
221.03346	2.0
225.02919	2.1
235.01302	5.1
237.02847	15.7
239.04428	10.8
248.04488	2.2
266.05508	24.4
267.05792	1.3
282.08542	2.3
284.12567	1.3
292.03391	2.9
310.04498	33.3
311.04755	2.4
340.03922	1.5
358.04843	100.0
359.05118	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	358.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	6.3
59.01368	4.6
64.56207	2.9
69.89478	10.8
72.99301	5.0
81.03453	9.7
82.02988	57.7
83.01405	3.5
84.04539	5.5
84.37102	3.0
91.05508	3.5
93.03468	11.8
95.01385	10.8
95.05010	10.8
96.04513	3.7
97.02972	3.1
97.60166	3.2
98.02477	11.4
99.00887	4.3
109.02949	7.5
110.02457	9.0
111.00925	5.1
111.04535	11.2
115.05535	4.8
117.03485	7.2
119.05024	16.2
121.02911	6.0
123.00837	5.9
123.04517	16.2
124.04047	7.2
126.01110	5.0
126.01976	46.7
127.47371	3.2
131.05038	32.2
133.06615	8.0
136.01643	11.3
136.04048	6.9
137.02113	5.7
138.01877	3.3
139.04001	6.2
139.45068	3.7
143.05042	4.7
144.03027	11.3
145.06570	8.5
147.04544	37.6
147.08151	8.8
149.02461	6.6
149.06079	26.0
150.02026	3.8
151.03976	13.4
152.04437	4.7
154.01445	7.3
157.06625	4.0
159.04427	5.1
161.02435	4.6
161.04788	5.7
161.06090	100.0
162.06436	9.1
164.91296	3.2
166.05118	22.9
171.04517	4.8
173.06071	5.6
175.07584	11.4
176.03476	6.1
177.01984	4.0
181.06525	4.7
187.07814	4.6
188.04773	17.3
189.05582	28.8
199.11316	6.5
201.05537	5.5
203.07138	6.7
208.06114	3.8
210.04077	8.7
215.07181	11.0
219.27594	3.5
225.09151	12.2
237.05698	3.8
242.11703	4.9
243.10326	3.9
243.82216	4.1
246.23108	3.8
252.05093	4.1
252.10324	6.4
253.08757	7.9
254.08110	6.5
257.04504	10.2
258.11417	6.0
268.09656	5.9
269.04605	3.8
269.08093	8.5
282.07751	6.6
286.10812	24.8
296.09375	13.0
297.07697	11.6
297.11108	5.4
299.05536	5.8
314.10468	3.0
322.07111	3.3
340.08139	11.1
358.09262	26.4
358.13544	7.8
359.14987	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	358.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25456	0.7
62.97080	0.7
65.00338	1.1
66.03484	0.8
67.01902	0.7
68.99815	1.0
69.29519	2.3
69.29917	1.8
90.03468	0.7
90.94483	0.7
92.05084	1.0
94.02998	4.0
95.01392	2.5
96.04552	1.5
97.02940	0.8
105.03403	0.7
108.04576	0.8
109.02940	1.4
118.02998	1.3
119.05036	1.2
120.04586	3.7
122.02477	1.9
123.00869	2.0
124.04031	2.3
131.05060	0.7
136.04031	4.6
137.01340	0.9
137.02441	1.8
138.02029	0.9
145.06531	1.3
146.02472	2.0
148.04048	2.8
149.01239	1.2
150.01938	1.1
152.01164	1.2
152.03526	2.3
153.01971	1.2
161.02483	1.2
162.02126	0.9
163.02795	0.9
164.03543	6.0
165.00726	1.3
165.04337	0.9
166.01459	0.8
166.05078	2.6
171.04590	1.5
173.06084	8.2
176.03535	1.7
177.00662	1.1
177.04289	0.9
178.01349	1.0
180.03038	1.8
190.01443	1.2
192.03033	4.4
193.01385	1.1
210.04097	1.4
213.05566	1.4
215.07100	1.1
218.04605	2.3
222.09264	1.3
223.07806	1.1
224.07091	0.9
225.09305	1.1
226.06464	0.8
226.38708	0.7
236.07115	1.1
237.05574	1.1
240.10321	1.8
241.08723	2.6
242.08302	1.5
250.08763	2.4
251.07051	2.7
252.04967	1.2
252.10326	1.7
254.05811	11.0
254.08240	1.4
255.06506	2.2
256.09833	4.1
260.07269	1.5
266.08322	4.9
268.09772	9.7
269.10242	1.0
270.07730	6.5
271.08463	0.9
278.08270	6.3
283.06183	1.0
284.09308	16.6
285.09732	1.2
296.09302	100.0
297.09647	11.5
314.10400	4.8
328.08188	7.6
358.05280	1.0
358.09402	16.1
358.17670	1.1
359.09879	2.3
359.14780	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	358.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
73.15549	0.9
75.84000	0.9
76.54077	0.8
86.92813	1.0
91.10659	0.9
92.49349	0.8
95.01394	1.3
98.22703	2.2
106.03011	0.9
107.03786	24.5
123.03246	1.1
126.85705	0.9
131.03801	2.0
132.04553	2.7
134.02492	3.8
149.01263	2.0
149.02435	3.1
151.02757	16.5
164.03516	1.6
166.05110	99.3
167.05505	4.8
176.03532	12.1
190.05151	1.2
192.03125	6.1
201.05640	0.9
208.06169	1.1
210.04089	100.0
211.04411	5.4
220.02502	2.6
252.05156	97.2
253.05489	5.4
264.06839	1.6
327.11105	1.0
340.08194	2.2
358.09369	29.9
359.09702	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	358.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	7.2
59.01376	7.0
63.73782	1.8
66.96893	1.6
68.99807	2.9
69.20500	10.9
70.02990	3.6
71.01388	4.4
81.03462	5.3
82.02988	21.4
83.05025	2.4
84.04563	5.1
85.02943	2.5
91.05563	3.1
93.03491	9.6
94.03011	2.9
94.73666	1.9
95.01421	5.3
95.05035	9.6
95.68871	2.1
96.04565	1.8
98.02491	8.4
105.71529	1.9
105.94031	1.8
107.01403	4.1
109.01839	1.9
109.02966	4.4
110.02510	8.9
110.06121	4.4
111.04508	14.7
115.05544	7.7
117.03481	11.2
120.04629	1.6
121.02954	2.9
122.02518	2.4
123.00903	3.9
123.04533	5.0
124.01662	2.5
124.04063	5.4
126.01975	22.2
131.05043	29.9
133.06609	13.3
136.01732	4.2
136.04099	9.7
137.02431	3.8
138.01979	2.2
138.03271	2.0
138.05630	4.1
143.05023	2.6
144.03047	3.4
145.06601	4.3
146.13101	1.8
147.04536	23.9
147.08154	6.9
149.02509	5.2
149.06093	26.0
151.04051	6.5
152.04430	3.0
154.01418	2.1
154.05054	3.3
157.06645	3.6
159.04535	7.1
159.08105	2.7
160.05339	2.0
161.06094	100.0
162.06445	6.0
166.05145	6.7
169.06535	2.5
171.04521	2.5
171.08119	2.6
173.06110	12.6
175.07675	7.1
178.99854	2.7
182.04608	4.5
183.08249	2.8
185.06215	2.5
187.61992	2.1
188.03294	2.9
188.04826	31.7
189.05566	46.2
192.02980	2.4
199.11288	8.9
201.05539	4.4
203.07173	6.4
209.06165	3.0
210.03996	3.7
210.06882	3.7
224.10872	2.9
225.09187	12.7
235.07591	2.2
242.11903	10.6
243.10211	2.8
252.05066	2.3
252.10246	3.5
253.08710	7.6
257.04581	2.7
258.11380	9.2
268.09644	4.0
269.08218	2.1
278.08191	3.8
279.06512	1.9
283.06174	2.6
286.10895	32.9
296.09280	7.8
298.07312	5.0
358.09497	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	358.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	55.2
65.80764	1.4
69.78198	5.2
69.78562	1.5
71.01389	8.1
74.02496	4.8
88.04070	8.9
89.02476	1.8
92.05068	48.2
98.02489	4.3
101.02425	2.0
115.00404	8.6
128.03581	2.4
129.10367	5.5
130.08705	1.5
131.91824	1.6
132.03036	2.4
136.04062	100.0
137.04425	4.0
225.15988	2.7
231.77371	2.3
242.18707	13.9
243.17180	5.9
269.11450	4.3
328.02322	1.8
358.16095	2.9
358.19846	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	358.1989
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
59.01378	11.5
69.63526	6.5
69.63869	4.0
71.01391	30.2
73.04092	2.1
79.95749	4.3
82.02955	2.2
82.06604	2.6
88.03535	2.2
88.04052	32.0
96.31962	2.0
98.22720	3.1
100.04046	2.6
101.07192	3.7
107.01386	3.3
107.04977	4.2
109.02938	4.3
110.02541	3.5
110.54482	2.1
111.00854	2.7
114.05530	2.4
115.00383	30.6
116.07195	47.3
117.03458	4.0
119.05042	13.0
121.02956	3.0
122.03680	3.6
125.00076	3.3
126.01960	2.8
127.05095	3.8
129.10349	20.9
130.08737	14.4
131.09026	4.3
132.03015	13.5
133.02965	29.9
136.04036	2.4
136.98813	2.4
137.02425	3.4
137.06046	7.7
140.07161	4.1
145.06244	4.4
157.13412	2.8
161.02463	2.7
175.03975	3.6
180.10291	23.8
183.11391	2.3
185.16609	14.4
185.99898	4.1
186.17038	4.5
187.00243	2.7
195.14926	4.7
196.06905	3.1
197.04501	6.0
197.16487	3.0
199.03981	3.1
199.18227	3.4
211.14531	3.2
217.00246	4.3
217.05034	5.2
223.10789	5.0
224.09204	5.0
224.17616	4.5
225.15985	4.6
228.17154	24.9
229.15431	4.2
239.05511	4.5
239.12709	2.4
241.11847	3.6
242.18770	62.3
243.02974	4.8
243.17084	28.9
243.19177	3.4
244.17387	4.2
269.04453	12.0
271.02353	5.3
278.05630	7.6
285.03894	6.5
286.10834	3.5
287.05557	4.6
297.03665	2.3
314.20825	11.3
315.05115	2.2
340.18781	12.6
358.01123	10.3
358.05545	19.5
358.19705	100.0
359.00537	3.8
359.20016	11.1
375.40045	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	358.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01711	7.6
61.79296	7.0
71.41293	8.2
76.17944	5.8
77.39150	7.5
87.52913	6.1
88.60243	6.5
95.05074	9.3
97.18470	6.6
111.87619	6.6
134.91269	6.5
141.99925	8.8
157.86308	6.9
161.02466	22.5
179.03574	6.4
186.55928	6.9
197.04597	7.9
223.26407	6.5
236.07765	16.7
278.11322	17.4
297.18369	8.2
315.19452	100.0
341.13843	15.6
358.19330	75.6
359.19092	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	358.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99334	19.9
123.04523	12.3
133.02992	28.1
135.04573	32.8
153.97929	10.4
161.02492	100.0
179.03520	17.4
197.04565	33.1
315.19458	30.1
345.48450	10.6
358.19806	24.4
359.15024	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71804	1.1
59.01386	2.6
62.99298	1.2
65.00326	3.0
71.05012	1.5
72.99320	1.6
73.00848	1.0
74.63209	1.0
79.97781	1.2
82.93675	1.1
89.00340	14.0
97.06537	1.2
99.00912	1.3
107.77338	1.1
115.01907	5.6
116.99843	26.0
117.03478	100.0
118.00198	1.5
118.03813	4.5
119.05047	3.6
120.05386	1.2
124.98019	7.8
135.04556	1.6
152.97504	40.8
153.03464	2.2
153.97786	1.5
159.00893	13.6
160.98807	4.3
161.02473	9.2
161.44305	1.1
167.05034	4.2
168.96989	17.5
169.06538	1.3
171.10265	3.4
174.00371	1.1
177.01930	1.9
179.05046	1.5
185.02469	7.9
195.04553	8.8
195.06125	1.6
197.06100	1.8
201.11375	3.8
207.04588	3.3
213.05602	1.4
223.04027	17.3
224.04227	1.3
235.04001	11.1
250.02684	1.2
251.03542	15.8
252.03900	1.4
271.01578	1.1
279.03012	61.4
280.03378	6.7
287.01221	22.5
288.01501	1.7
315.00699	97.1
316.00958	10.5
358.99695	43.9
359.15005	3.0
359.20691	2.2
359.99988	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	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61538	0.5
59.01384	95.9
60.01733	0.6
69.33733	1.8
69.34135	1.0
73.95297	0.6
98.21825	0.6
106.70022	0.5
118.96590	0.6
132.98230	2.1
133.09024	0.5
157.03561	2.4
159.01547	0.9
174.99263	28.0
175.99583	0.7
201.02570	27.8
202.02751	3.1
217.00314	100.0
218.00633	3.3
253.30913	0.6
273.01669	0.6
274.99603	1.7
317.00726	2.9
344.58902	0.6
359.01651	7.0
360.01859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21421	0.4
52.79876	0.4
57.22163	0.4
59.01383	99.7
59.64467	0.5
60.01724	1.2
60.52217	0.5
61.98834	5.7
67.91686	0.5
70.14630	1.1
70.14969	0.5
71.01383	1.5
73.02952	1.0
78.95908	2.1
89.02442	0.8
95.01394	0.5
101.02470	2.0
105.16927	0.5
109.02896	0.6
109.86665	0.5
113.02434	0.8
117.16717	0.5
123.00911	3.7
130.08769	2.4
131.08315	0.7
132.98218	2.1
134.04776	3.2
134.05605	0.5
135.04642	0.5
137.02432	0.6
138.01996	1.3
138.03233	4.8
143.00072	0.5
145.92981	0.5
153.05608	2.7
157.03555	2.9
159.01480	1.4
160.59320	0.5
166.99898	0.6
168.01619	0.9
174.99265	25.9
175.99605	0.7
178.96036	1.0
182.02235	4.0
196.05818	0.6
197.04582	7.9
201.02573	25.7
202.02701	2.0
210.02541	0.6
215.04057	0.6
217.00317	100.0
218.00647	3.6
233.20372	0.5
240.07109	1.0
274.90067	0.8
282.07669	0.6
299.10269	1.0
316.90610	0.7
317.00580	1.2
340.91614	0.6
358.92371	0.6
359.01431	4.6
359.09552	2.4
359.14661	1.0
360.01889	0.9
360.07227	1.2
360.11517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.1
56.04442	1.2
69.51939	4.2
77.28458	1.4
79.01896	57.5
83.83414	1.4
98.21969	2.5
107.01410	9.4
111.00891	26.7
117.26437	1.4
123.00863	1.8
135.00893	5.7
136.01649	4.6
151.00386	35.2
151.07700	1.6
165.01846	1.7
177.02007	1.6
178.99875	59.0
183.08159	2.5
192.00676	4.1
193.01411	1.8
195.07994	1.5
197.06071	4.2
211.07719	12.2
213.05579	6.0
227.07155	5.1
239.07146	16.5
241.05067	3.7
255.06647	16.3
283.06149	100.0
284.06482	12.6
307.95148	1.4
327.05145	14.7
328.05219	2.0
359.07388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43657	0.4
52.86638	0.5
71.41695	0.5
72.99313	18.2
73.21058	0.4
91.03003	0.5
107.04988	0.6
109.02938	0.6
123.04543	9.0
132.02165	0.7
133.02968	22.2
134.03796	0.9
135.04549	19.9
136.04890	1.1
138.24870	0.5
147.74409	0.5
161.02464	100.0
162.02797	5.4
179.03526	13.8
180.07977	2.0
197.04584	23.6
197.06401	1.2
198.04924	1.1
223.09846	2.3
234.88771	0.5
260.96890	0.5
337.80463	0.5
359.07748	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	359.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35593	0.4
51.87923	0.3
54.05508	0.4
65.00338	1.8
70.57627	0.6
90.53926	0.4
95.01338	0.3
100.11897	0.4
105.16267	0.4
110.00111	0.8
113.50520	0.5
128.99837	0.4
136.98830	1.3
137.02426	0.4
139.00369	0.8
146.03705	0.5
148.01689	1.3
158.03752	0.6
161.02451	2.6
163.00365	0.7
163.03973	1.9
164.98270	1.0
165.99104	1.7
167.86934	0.4
170.03705	0.6
174.03249	1.1
183.04533	0.4
186.03278	2.9
187.00400	0.5
189.01901	1.0
190.02655	0.7
192.00691	1.7
197.02452	0.4
198.03288	1.2
200.01164	1.0
201.01958	1.5
202.02673	1.0
213.01958	1.4
214.02744	15.5
215.03253	1.4
217.01447	2.8
218.02127	1.1
225.01991	0.6
226.02840	1.2
227.03461	1.0
229.01422	1.5
229.05121	1.2
230.02209	4.8
231.02957	0.9
233.04593	0.9
241.01489	0.5
242.02237	28.2
243.02646	2.2
255.03053	0.6
257.04556	1.6
258.01706	7.3
259.01990	0.7
269.00958	0.5
270.01822	1.0
271.02460	0.6
273.04086	1.0
283.02637	0.7
284.03207	0.4
285.04175	0.6
286.01224	16.1
287.01602	1.4
298.01212	1.2
300.02832	1.2
301.03571	35.3
302.03955	3.4
309.11334	0.5
311.09232	0.7
314.00705	6.3
314.04202	0.4
315.01309	0.5
328.02289	1.3
329.03055	100.0
330.03378	11.3
341.42267	0.4
343.04480	2.0
344.05399	93.5
345.05701	9.6
359.07767	75.3
359.15060	5.1
360.08096	9.7
360.15222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	1.0
65.00314	0.7
79.01872	0.3
86.98732	0.3
110.00065	0.4
111.00878	0.4
117.03429	0.4
121.02921	0.4
123.00877	0.6
129.69812	0.3
135.00835	0.4
136.98763	1.1
137.99557	0.4
139.00365	1.3
148.01675	7.4
149.02354	1.1
149.99567	0.3
151.00363	0.4
151.03995	0.4
153.01932	1.4
160.01645	0.5
161.02402	1.3
163.00360	1.5
163.02731	0.3
163.04013	4.3
164.98325	2.3
165.99065	1.3
170.03784	0.5
171.04446	0.4
174.03181	1.4
175.00368	0.5
177.01909	0.6
178.99840	0.4
183.04483	0.6
185.02399	0.3
186.03183	1.1
187.03735	0.4
189.01915	0.6
197.02402	0.5
198.03180	1.3
199.03979	0.8
201.01982	0.6
201.05580	0.5
202.02713	1.4
205.01480	0.4
211.03967	1.8
213.02034	0.4
214.02728	9.7
215.03351	0.8
216.00670	0.9
217.01524	0.4
225.01878	0.3
226.02783	0.5
227.03450	1.3
229.01411	1.0
229.05090	1.9
230.02171	3.0
231.02777	0.3
239.03499	0.7
240.00652	0.9
241.01402	0.5
242.02213	6.0
243.02762	0.8
245.04474	0.3
253.01387	0.6
255.03082	1.6
257.00903	0.4
257.04520	1.2
258.01724	5.0
258.04480	0.4
259.02045	0.4
267.02982	0.4
268.00195	1.7
268.02844	0.3
269.00888	0.5
270.01639	1.8
271.02383	0.6
271.17047	0.5
272.03143	0.8
273.04004	1.6
283.02521	5.0
284.03159	0.7
285.00415	1.4
285.04019	0.7
286.01205	8.8
287.01584	0.8
297.00427	0.6
298.01187	2.7
299.01944	1.2
300.02768	5.6
301.03564	7.3
302.03967	0.6
311.01941	2.8
312.02792	0.6
314.00699	40.9
315.00995	3.1
315.05048	1.5
316.05499	0.4
327.05402	0.5
328.02313	8.0
328.05826	0.3
329.03043	79.8
330.03400	7.5
343.04581	5.6
344.05380	82.2
345.05728	8.4
359.07751	100.0
359.15009	3.6
360.08069	11.0
360.19580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71763	1.0
56.56892	1.0
59.01378	3.2
68.42349	1.1
69.52113	2.6
69.52503	2.1
72.99335	1.3
90.99409	1.0
98.21912	1.5
109.22096	1.2
113.00770	1.0
121.02974	1.3
133.02957	22.3
135.04544	1.4
151.11887	1.2
151.97530	1.5
161.02502	5.5
168.77638	1.1
174.03227	6.2
177.02032	1.5
177.99091	4.7
179.96960	1.3
180.97850	1.2
184.97018	1.0
186.03201	2.3
189.01921	1.9
193.01495	6.1
194.99402	2.2
198.03300	1.2
199.03908	1.6
201.02072	3.7
202.02693	14.6
213.01953	1.4
214.02756	4.7
214.74083	1.2
217.00348	1.4
229.01483	1.6
230.02211	5.5
242.02234	4.7
258.01694	5.2
267.02991	1.9
271.01974	1.1
283.02512	4.7
286.01215	11.2
301.03656	3.7
311.01971	10.0
313.97852	0.8
314.00693	42.5
315.01007	4.2
329.03043	100.0
330.03442	9.6
344.01068	1.8
344.05389	60.4
345.05679	6.3
359.07773	95.2
359.14468	11.0
360.08167	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	359.0778
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
50.86354	1.2
59.01390	3.4
65.00326	1.3
67.31800	1.1
69.16960	2.6
69.17365	4.0
85.22861	1.2
96.83562	1.3
105.48574	1.2
119.05011	4.2
121.05739	1.6
123.04517	1.4
133.03009	2.2
136.98756	1.6
139.00409	1.8
148.01675	7.6
153.01926	1.5
154.43811	1.2
154.58350	1.2
158.51649	1.4
161.02444	8.5
162.02911	1.4
163.04016	3.6
164.98349	2.7
179.03575	1.3
180.15889	1.2
183.13914	1.5
188.00861	1.3
197.04474	1.7
198.03215	2.0
211.04173	1.8
214.02666	9.0
217.00269	2.7
229.01468	1.9
230.02066	3.5
241.01483	2.2
242.02072	4.9
255.02953	1.7
256.03815	1.9
257.04297	2.9
258.01633	4.6
270.01727	1.7
283.02576	5.2
285.00598	1.9
286.01154	8.2
298.01013	1.8
300.02893	6.1
301.03525	5.5
311.02103	3.0
311.13318	1.5
314.00696	40.9
315.01193	3.5
316.05490	2.5
328.02267	8.8
329.03021	68.8
330.03336	6.2
341.13974	2.0
343.04584	6.4
344.05353	88.8
345.05710	10.0
359.07748	100.0
359.14621	16.9
360.07974	8.9
372.27350	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0925
Annotation	Ebenone
Peak:m/z	Relative Intensity
53.85569	0.6
56.56857	0.5
59.01383	0.7
65.00317	2.7
68.99819	19.0
71.01355	0.7
71.33707	0.5
81.03452	0.7
87.00838	0.7
98.21836	1.2
101.03971	5.4
115.05537	1.9
117.03465	5.3
119.05025	2.9
127.05540	2.0
129.03525	0.7
130.04230	0.6
131.05037	5.2
133.01947	0.9
133.02969	15.7
143.05022	2.2
147.04514	2.7
155.05048	3.4
157.02979	0.7
157.06595	0.8
159.04526	7.4
161.02481	1.1
169.06668	0.9
171.04529	56.2
172.04861	2.8
173.06133	1.1
183.04515	13.2
184.04951	0.7
185.06146	1.0
186.56693	0.6
187.04015	19.8
188.04326	1.6
199.04010	0.8
200.04837	0.9
201.05602	2.4
211.04045	3.9
212.04369	0.6
227.01317	0.8
227.03499	17.0
228.03917	1.3
239.03561	1.0
240.04337	5.5
241.04866	0.9
245.09741	1.6
253.05116	1.9
255.03017	0.8
259.11649	0.8
268.03741	1.0
271.04523	1.2
285.09311	3.5
287.10898	2.6
292.68823	0.6
313.08810	2.5
315.10391	1.3
317.08206	2.2
327.03073	0.8
328.45490	0.6
331.05826	1.2
331.09796	25.4
332.10031	3.1
359.09283	100.0
360.09637	13.2
383.44397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0989
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01878	1.5
59.01384	100.0
60.01701	1.2
61.82339	0.8
67.68594	0.9
69.98682	1.7
69.99086	1.8
71.01388	46.5
72.99319	2.0
73.02930	1.6
83.01398	2.8
83.67873	0.9
85.02949	8.3
87.00854	1.5
89.02452	33.7
95.01371	4.6
100.25080	0.9
100.27130	1.0
101.02449	24.5
101.04317	0.8
109.02939	1.3
112.98839	0.8
113.02469	15.3
119.03522	12.6
121.02949	10.1
122.00096	0.9
123.00874	4.6
125.02468	1.0
135.04468	1.2
137.02435	6.8
138.03236	5.0
139.00409	2.6
139.04034	1.9
143.03497	1.2
151.00293	0.9
153.05573	12.1
155.03525	2.3
161.04510	1.1
165.01959	1.8
166.02844	1.7
166.99901	2.4
179.03551	1.0
179.05582	1.4
180.04324	1.9
181.01450	7.5
181.05107	1.1
182.02213	10.7
183.02950	2.7
183.99763	1.1
195.06635	2.4
195.52319	0.8
196.03714	6.3
197.04565	61.7
198.04997	2.9
211.06117	13.2
217.00278	1.8
221.86136	1.0
224.03265	4.0
224.60248	1.0
225.04044	1.9
230.59152	0.8
239.05624	38.3
239.08063	2.1
240.05977	2.3
245.43719	0.8
269.06671	4.2
287.86905	1.0
299.07770	7.0
327.10669	0.9
344.07471	3.3
359.09851	87.3
360.10245	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	359.0988
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01386	38.1
65.00352	2.1
67.01899	3.6
68.99828	2.1
69.03450	3.9
70.56638	2.1
71.01387	18.3
72.99334	2.7
73.02943	1.9
79.01906	2.6
79.95751	3.3
81.03481	2.5
83.01415	3.7
84.19498	1.5
85.02964	5.5
87.00888	2.3
89.02460	7.1
91.01913	1.9
93.03490	3.9
95.01434	3.6
95.05042	2.2
96.96014	2.2
97.02966	4.5
99.00888	3.3
101.02454	6.0
101.18558	1.5
104.98304	1.6
106.00591	1.8
107.04991	1.7
109.02962	6.2
110.00112	1.4
110.02507	1.6
111.00874	10.7
113.02461	6.1
117.03477	6.9
119.05025	5.5
120.05415	3.0
121.02966	24.8
123.00897	9.7
123.04517	2.0
125.02456	7.8
127.00397	2.1
133.03000	5.9
134.03732	2.5
135.04536	5.3
135.08194	2.2
137.02451	10.9
138.03238	9.6
139.00401	4.1
139.04031	10.4
141.01959	1.7
145.03018	3.0
147.04536	2.8
149.02469	2.8
151.00430	2.3
153.01978	11.0
153.05576	21.7
155.03595	2.0
159.04523	3.0
161.02460	11.8
162.03142	2.2
162.06381	1.5
163.03928	2.0
163.10938	1.8
166.99905	6.8
167.03497	2.4
171.04596	1.9
173.02496	2.0
173.06084	1.7
175.03993	1.9
177.05681	2.6
181.01450	21.9
182.02257	17.3
182.03745	2.8
183.02945	2.8
183.04591	2.4
191.03476	1.7
196.03833	15.3
197.04559	77.6
198.04912	3.2
198.56348	1.7
199.04048	5.6
201.01941	2.0
201.05522	3.1
203.03508	2.0
211.04140	3.8
211.06099	25.7
215.03532	2.1
217.00412	1.8
224.03285	12.8
225.03864	3.5
225.05820	1.8
227.03552	4.7
227.07053	2.9
228.04115	2.3
239.05637	100.0
240.05998	5.1
241.05040	3.5
243.06746	2.4
253.05211	3.0
255.02762	1.7
257.04544	2.6
269.04349	2.0
269.06763	25.0
271.06015	2.6
271.10181	1.9
271.13174	1.7
287.96158	1.9
297.04248	3.6
299.07773	13.4
301.03366	1.5
308.76846	1.9
350.66364	1.5
359.03998	3.1
359.09082	4.9
359.13724	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24867	1.4
57.03444	2.5
59.01385	100.0
60.01735	1.5
68.94986	1.5
71.01389	42.7
72.99306	3.5
73.02945	3.0
78.95927	2.2
83.01399	3.2
85.02955	10.3
89.02454	34.5
93.03449	1.4
95.01412	3.4
97.02901	1.9
99.81886	1.6
101.02456	24.7
106.33298	1.6
109.02950	3.2
111.00876	2.4
113.02471	17.9
119.03526	10.8
121.02962	11.5
123.00903	4.5
133.02985	2.7
135.04539	3.5
137.02429	8.2
138.03247	6.6
139.00395	5.0
139.04030	3.4
153.05594	13.3
154.31808	1.5
155.08208	1.5
165.01944	3.7
166.02736	1.9
166.99873	1.5
174.99254	2.7
180.04420	2.7
181.01405	6.6
182.02196	9.5
183.02943	2.7
195.06644	2.6
196.03851	3.7
197.04558	59.5
198.04938	3.8
211.06134	13.5
217.00316	6.3
224.03259	5.9
229.08237	1.6
239.05641	32.6
240.05917	1.4
248.95439	1.4
269.06680	4.3
272.12558	3.5
299.07755	5.9
312.41446	1.6
327.11011	2.1
344.07553	2.9
359.09875	88.3
360.10339	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	359.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59356	1.4
53.06281	1.6
59.01386	100.0
61.98845	4.2
70.75704	2.2
70.76050	2.5
71.01375	7.5
72.74532	1.3
73.02953	3.2
78.95913	1.8
85.02938	2.6
89.02415	1.9
95.01418	1.7
101.02452	3.6
110.22489	1.6
113.02471	2.3
123.00904	13.7
125.89062	2.0
128.03584	3.9
130.08754	5.8
133.02971	3.6
137.06105	44.9
138.03264	14.3
138.06415	3.2
140.08257	1.8
143.11961	4.6
151.04034	1.7
153.05612	4.8
161.04575	8.4
166.99828	3.2
174.99210	3.3
182.02188	12.2
182.97835	1.6
184.07310	2.2
197.04568	29.0
200.14117	1.8
201.02475	2.1
217.00368	11.6
229.08295	1.9
239.05692	1.5
247.44673	1.7
315.16879	9.0
315.20193	2.2
346.44934	1.6
359.09851	4.6
359.19669	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1502
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
54.27474	0.4
59.01386	25.8
61.98829	1.7
71.01389	1.1
71.40901	0.6
72.00912	1.0
74.02471	1.0
74.06718	0.5
74.79143	0.4
78.95912	1.7
82.06616	0.4
82.94625	0.9
84.65424	0.4
84.94309	0.8
89.02451	0.9
90.97157	0.8
99.97186	0.6
101.02438	0.9
118.96647	0.7
123.00919	1.2
125.02441	0.4
126.93620	1.0
127.96722	0.5
128.03537	0.9
129.10368	0.5
130.08757	100.0
131.08250	0.9
131.09105	3.1
132.98251	1.0
134.04808	0.5
135.04488	0.6
137.33580	0.4
138.03227	0.9
140.01166	2.2
141.98190	0.6
143.11925	0.5
144.11452	0.5
145.06213	1.0
145.09874	0.9
150.04283	0.5
153.05595	0.8
155.03554	1.7
157.03529	0.7
160.97749	0.5
169.01743	1.2
174.99274	5.7
182.02283	1.2
183.01697	0.5
197.04649	3.0
201.02596	5.9
201.47050	0.4
204.05521	0.7
211.02661	0.6
213.05634	1.0
215.55272	0.5
217.00328	22.1
218.00735	0.7
227.97937	0.8
228.07407	0.6
230.03459	0.9
232.05063	0.7
239.05705	0.5
244.05069	1.1
245.05225	0.5
249.55400	0.5
282.10309	0.7
283.09296	0.7
290.38510	0.5
315.12622	1.4
315.20468	1.5
359.15085	77.7
360.04266	0.6
360.15384	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	359.1505
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
59.01364	1.3
64.70248	0.4
69.57172	1.9
97.06601	2.6
103.10315	0.4
115.07612	0.6
119.05055	0.8
125.52435	0.5
135.04556	0.8
161.02448	1.3
163.04024	0.5
165.05548	0.5
166.67619	0.5
171.08177	0.7
187.03954	0.8
201.05563	0.8
207.10258	0.5
214.06354	0.5
215.07114	1.7
217.00266	1.4
225.11264	1.0
229.05042	13.1
242.05850	0.5
243.06615	15.6
243.12088	0.4
244.07390	12.5
245.07756	1.1
251.07104	0.5
255.06667	1.1
261.07776	1.0
280.11157	0.5
283.09753	0.9
293.08307	1.1
297.11252	0.7
308.10419	0.6
309.11493	0.8
311.09286	3.9
311.12708	0.9
313.14447	1.2
323.13040	0.6
326.11572	1.6
327.12302	1.0
329.02972	1.2
329.10382	0.6
337.27902	0.5
341.13934	12.3
342.14380	1.6
344.05383	0.8
359.15015	100.0
360.15378	12.6
360.19833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20813	0.4
71.41909	0.5
98.20701	0.4
114.32510	0.4
128.94263	0.4
134.99411	0.4
152.23758	0.4
161.02446	1.6
161.06363	0.7
217.07246	1.8
261.04376	0.4
275.06073	0.7
277.07593	3.7
302.04654	0.4
357.13879	1.7
359.15378	100.0
360.15549	16.0
377.16614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1867
Annotation	Sarcrassin E
Peak:m/z	Relative Intensity
51.46317	0.7
52.01187	0.7
53.52660	0.8
64.65031	0.7
69.16158	3.8
69.16577	1.4
72.18622	0.7
94.32668	0.7
133.02959	1.2
135.04507	1.1
157.63373	0.8
161.02475	4.0
191.02296	0.9
200.56879	0.8
203.03535	1.1
257.11868	1.6
262.08563	1.0
283.09753	2.8
285.11383	3.1
297.11322	3.3
300.13712	4.2
311.12839	2.2
312.13693	2.3
327.15979	17.4
328.16290	1.6
329.13861	1.8
343.15591	1.9
359.18665	100.0
360.14832	1.6
360.18958	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	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31492	1.7
59.01120	2.3
59.01386	24.3
59.08314	1.6
70.28921	2.3
70.29249	2.4
72.99324	2.3
77.67999	1.4
92.27347	1.5
123.04496	2.0
133.02997	2.0
135.04546	3.9
161.02486	9.1
197.04617	2.3
266.35812	1.7
277.21753	100.0
278.22119	11.5
349.65680	1.6
359.22021	14.9
384.09232	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	360.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33639	0.2
59.01387	1.2
59.09049	0.2
61.11391	0.2
67.94589	0.2
69.81692	0.7
71.01359	0.2
73.02951	1.1
78.95909	7.2
85.02992	0.2
92.02551	1.0
96.35631	0.2
98.21889	0.2
101.02472	0.3
107.03653	4.9
110.98539	5.2
113.02476	0.4
131.03514	0.4
134.04749	100.0
135.05211	2.0
158.20207	0.2
167.01146	0.4
192.99097	1.3
204.07762	0.5
217.00357	1.1
225.01692	5.9
239.40767	0.2
313.08994	0.2
360.07162	7.3
361.07443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	27.1
58.02979	8.2
59.01381	21.9
59.70510	2.5
68.99823	4.1
70.34869	2.9
71.01347	2.6
81.03458	26.8
81.03894	3.2
81.23454	2.3
82.02989	55.0
82.03446	4.8
83.01392	16.0
85.02985	4.3
87.00903	4.6
88.32492	2.1
96.04562	6.1
98.02476	18.6
98.06161	3.0
99.04527	33.6
100.04060	6.7
107.05071	7.2
108.04571	18.9
109.02956	8.3
110.02494	8.1
113.02482	3.0
121.06599	2.6
122.06155	2.6
123.04539	31.6
124.04060	29.1
125.02487	2.8
126.01984	100.0
126.05625	5.9
140.07176	12.5
142.05118	5.8
145.06584	17.0
149.06100	6.7
150.05597	28.2
151.04086	2.8
152.03539	17.2
154.01497	5.5
154.05095	3.0
156.03091	3.0
159.04527	3.9
164.07187	8.5
165.05539	22.4
165.06633	2.1
166.05109	14.8
170.04613	6.7
171.04582	2.8
176.03494	13.6
177.01823	3.8
182.08231	40.5
183.07773	3.3
185.09813	2.8
189.05566	5.3
192.06676	38.0
194.04587	16.7
217.73422	2.5
227.06813	6.3
236.05627	6.8
237.09496	2.9
254.08405	4.4
272.09268	9.7
280.09705	4.1
288.12555	4.5
290.10364	9.1
298.10739	4.4
342.09799	7.6
360.10944	6.8
361.16711	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	360.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	54.3
58.02984	11.4
59.01378	7.8
62.47557	1.9
67.01893	1.9
68.99823	3.2
69.03459	21.6
72.99332	4.0
74.02478	4.2
79.01898	16.6
81.03466	52.5
82.02990	66.8
83.01403	8.2
85.02988	2.3
92.34405	2.0
95.05063	2.5
96.04573	6.0
96.96030	2.7
97.02946	14.2
97.04046	2.9
98.02484	30.1
98.22654	7.5
99.04526	51.3
99.05601	3.6
100.04067	13.8
100.04707	2.3
107.01398	33.2
107.05030	6.1
108.04592	14.1
109.02953	3.7
110.02477	5.6
112.04037	2.5
121.06603	2.5
123.04533	31.7
124.04060	31.8
124.04891	4.0
125.02457	10.8
126.01995	10.2
126.05599	3.9
133.06943	2.3
135.04536	3.9
140.07196	17.1
145.06599	8.5
148.05261	1.9
149.06113	20.0
150.05615	6.8
151.00380	40.1
152.03537	6.9
155.08298	6.3
161.02475	9.1
162.02811	6.8
164.07166	17.3
165.05577	6.4
165.06773	3.0
169.01463	2.6
170.04576	13.1
182.08238	100.0
183.07791	7.2
192.06676	65.4
193.06970	4.5
213.00415	23.6
218.04668	2.6
227.06715	21.3
236.05540	14.1
254.06680	13.4
270.11273	3.4
288.12482	21.3
291.42276	2.1
298.10886	4.6
317.14087	2.3
342.09952	16.8
345.56421	2.1
360.11066	33.3
360.15289	4.5
361.05664	6.2
361.16748	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	360.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28486	2.6
55.79383	2.6
55.86327	2.5
56.69289	3.0
57.02760	2.6
58.02987	42.7
59.01393	16.1
69.96957	2.6
70.71581	4.4
71.01389	3.9
73.04079	19.1
74.02481	92.7
78.78964	3.4
84.86624	3.3
85.02914	4.3
87.05650	5.7
97.04094	4.4
98.02481	7.9
108.08222	4.9
110.94132	4.0
111.00904	9.7
112.02749	3.2
114.66832	3.5
115.05164	19.6
116.92931	3.6
118.05112	13.7
119.05028	9.7
126.09246	3.8
130.08713	3.6
141.10384	6.5
143.11919	44.4
143.12933	5.1
145.06210	5.3
152.07191	27.0
154.21220	3.4
161.02591	3.1
161.06128	5.2
169.09836	8.4
169.13469	10.1
182.08263	5.2
187.10902	19.7
195.11505	3.7
197.04565	5.6
200.14087	66.6
201.14409	3.8
211.10887	11.5
223.10837	3.6
229.11972	10.3
241.11903	4.6
242.15134	9.2
259.13068	10.2
286.14139	100.0
287.14456	5.1
298.14188	18.6
316.15161	66.4
317.15451	4.1
330.16840	5.6
360.13623	4.8
360.17825	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99291	13.3
95.05015	3.5
95.88781	3.4
98.21888	4.3
99.98892	3.6
109.63115	3.9
142.00134	4.3
193.25609	3.7
298.60593	3.9
302.65067	3.8
317.20972	100.0
318.21295	15.5
360.21268	72.8
361.16400	7.3
361.20712	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	361.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44680	2.4
57.03427	5.8
57.61605	2.3
59.01392	18.2
59.01652	4.3
59.32187	2.6
61.98840	3.3
65.03960	2.7
67.01879	5.6
68.99829	4.9
69.03462	64.6
70.72365	5.0
71.01382	14.5
72.99298	8.0
79.01886	4.5
79.95732	5.9
80.96522	8.5
81.03454	16.0
83.01395	10.6
83.05036	22.4
85.02952	17.7
87.00884	4.2
93.03474	14.7
95.01405	12.3
96.95999	6.3
97.02956	100.0
98.03319	4.1
99.00893	6.7
99.04503	6.9
107.05032	2.4
108.02175	7.9
108.58818	2.7
109.02953	30.9
109.06601	3.4
111.00878	28.4
111.04552	15.4
113.02472	26.4
117.03458	11.8
119.05026	6.1
121.02960	21.8
123.00890	21.6
123.04538	4.8
125.02451	25.4
127.00446	4.4
127.04037	10.8
131.04999	3.6
133.02931	15.0
134.03716	6.2
135.04529	15.9
137.02451	41.8
139.00372	4.0
141.01981	32.2
143.05000	3.1
145.02919	5.2
145.06599	3.7
147.04527	10.8
149.02498	3.4
151.00389	3.0
151.04002	8.3
153.01935	19.1
153.05565	3.8
154.99890	25.0
155.03523	43.1
156.03886	2.7
157.01541	3.4
157.02841	2.8
157.06543	4.4
158.03671	3.4
159.04518	6.3
161.02452	66.9
161.06049	5.1
162.02824	4.5
163.04008	5.6
165.05536	4.3
166.99861	7.9
169.01425	3.7
171.04434	3.6
173.02390	7.4
173.06082	6.7
175.04033	30.5
175.07666	3.0
177.02028	3.7
179.03481	12.8
181.01411	22.3
183.08136	3.2
185.06059	10.6
185.09705	4.8
187.04002	6.4
189.05554	3.8
191.03445	4.3
191.10999	3.1
197.04584	8.1
199.02512	13.3
199.07661	6.2
201.05554	5.7
201.09265	4.4
203.03545	5.4
205.05186	3.0
211.04103	3.3
211.07642	4.6
212.04755	5.0
213.05565	6.3
215.03429	3.1
215.07045	3.3
216.04396	2.6
217.05048	5.3
227.06993	7.9
229.05003	7.2
229.08728	11.2
229.12219	6.1
245.04396	2.8
255.06633	15.0
271.06155	3.6
273.04224	4.1
273.07605	5.7
273.11346	5.0
281.04590	3.7
289.07062	3.0
299.05582	10.3
317.02890	4.3
317.06641	6.9
317.10440	7.8
361.05609	34.3
361.09595	15.4
361.13315	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	361.057
Annotation	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01380	5.2
65.00335	5.8
66.78126	1.5
69.34905	6.0
69.35308	3.4
81.59972	1.9
82.00625	1.8
90.08574	1.6
93.03470	1.9
96.99374	1.9
101.54948	1.7
110.00109	23.1
111.00897	10.2
117.03491	2.7
118.57317	1.8
135.04558	2.6
135.28015	1.7
136.98827	4.4
137.99634	4.5
139.00392	27.8
140.01154	4.8
143.05020	4.2
145.03029	2.0
153.53017	1.6
157.06577	7.5
159.04575	2.2
164.98248	2.1
165.99103	23.9
171.04523	3.5
173.02441	7.3
185.02271	1.6
187.04024	3.9
201.01991	5.3
213.01990	3.9
215.03566	6.2
217.01486	2.9
229.01422	6.5
232.00195	2.2
242.02238	5.7
243.03047	13.5
245.00952	4.4
246.01584	1.9
259.02475	3.3
264.02603	2.9
269.64365	2.1
270.01736	6.5
271.02548	4.7
273.00488	5.6
274.04865	2.7
279.05087	5.3
287.02008	29.1
288.02487	3.2
302.04382	5.1
314.00827	1.9
317.17560	3.1
346.03311	94.2
347.03751	8.1
360.51752	1.8
361.05664	100.0
361.12830	4.1
361.16702	6.4
362.05994	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	361.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77679	0.6
59.01386	1.9
61.01191	0.5
63.08971	0.7
70.07229	1.4
70.07598	1.3
72.00914	2.8
73.22903	0.6
74.02472	4.7
78.95919	1.6
80.24416	0.7
91.41618	0.6
96.95968	0.8
101.04335	0.8
105.61132	0.6
116.05070	13.7
117.05445	0.8
119.84312	0.7
121.05403	0.6
128.03458	0.7
129.05789	0.7
130.06638	63.5
131.06961	3.8
141.98235	8.2
142.06609	4.7
155.30785	0.6
157.07764	0.7
158.06093	0.8
159.09290	2.4
187.98749	4.5
202.98874	0.8
203.08257	6.9
213.03484	6.6
225.06575	0.6
237.41780	0.7
246.04486	4.4
247.98123	0.6
255.04495	3.7
259.04007	2.8
271.04019	0.8
301.05078	100.0
302.05405	9.3
309.58826	0.6
325.20612	0.7
360.99088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58921	8.6
59.01382	100.0
59.71345	11.1
61.98822	39.8
65.46963	10.0
66.90649	9.8
69.75653	20.5
69.76022	19.2
71.01380	33.8
71.64836	11.7
78.95908	21.1
89.02453	36.4
93.03462	9.5
97.02948	16.5
98.22004	12.4
99.00877	12.9
101.02477	11.3
109.02950	23.8
111.00883	11.1
113.02448	18.2
117.05483	10.4
122.26820	8.9
135.04524	33.0
161.47519	11.7
174.99280	10.8
181.05067	39.5
202.98773	28.6
217.00354	29.8
223.40897	9.8
258.68118	9.0
279.54755	8.9
289.89612	9.3
321.90683	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	361.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86724	3.0
67.01893	60.8
68.99814	32.1
71.90311	3.8
81.03452	12.4
83.01403	6.0
84.65856	3.6
88.76392	3.1
89.29401	2.7
98.89938	3.4
109.02971	13.1
115.05595	6.3
117.03510	7.5
117.07120	24.5
119.05032	10.2
122.30128	3.1
131.05093	3.1
136.98814	5.3
141.07098	26.7
143.05029	24.9
145.05513	6.7
145.06609	86.0
146.06876	4.3
158.03752	3.2
167.05046	4.3
171.04527	32.5
171.08116	3.5
172.05293	12.3
173.06091	98.2
174.06314	3.7
183.08133	11.4
184.05255	3.8
185.06033	10.7
187.04172	3.4
187.07652	15.1
200.04773	15.4
213.05614	11.4
215.07147	100.0
216.07451	5.9
227.07091	9.4
241.05075	9.3
247.11272	13.1
249.09177	3.4
255.06633	8.2
263.10739	12.1
289.12402	50.2
290.12778	5.2
291.10284	49.6
292.10715	6.9
297.00244	2.9
299.10709	5.7
315.10168	14.2
317.11786	10.3
333.11212	7.8
343.09659	7.8
361.10947	30.9
361.14975	6.3
362.10672	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	361.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63125	4.3
65.73780	4.2
67.01900	57.2
68.99832	33.2
69.17931	17.5
69.18344	6.4
70.39990	4.2
81.03495	4.2
83.01360	4.8
98.22604	8.2
109.02937	12.1
117.03493	8.2
117.07132	20.8
119.05034	7.5
119.93178	4.3
122.63473	4.5
130.04214	6.4
131.05154	5.1
136.49298	4.9
140.13426	4.1
141.07117	22.6
143.05026	24.9
145.06604	83.4
171.04547	21.6
172.05267	13.4
173.06104	100.0
174.06392	7.9
183.08223	7.6
185.06065	8.3
187.04022	5.3
187.07639	10.2
200.04761	13.7
211.04137	5.3
213.05476	7.4
215.05188	7.2
215.07140	98.1
216.07422	8.4
227.07155	8.4
247.11160	15.4
255.06659	10.7
263.10742	14.5
280.06009	7.4
289.12357	56.6
290.12659	7.0
291.10303	46.5
292.10620	9.8
299.10898	7.9
315.10345	13.9
317.11810	12.5
333.11465	5.7
343.09506	6.2
361.11050	32.4
362.06863	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	361.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23608	3.8
56.77285	3.6
59.01384	100.0
60.01704	3.8
61.98838	30.2
63.61620	3.7
70.95215	5.9
71.01380	17.9
73.02940	4.8
78.67827	3.6
83.01364	3.6
85.02941	8.6
85.31059	3.4
95.01392	5.0
101.02435	7.4
108.02190	3.6
109.02942	6.5
113.02448	11.6
122.76625	4.0
123.00896	89.6
124.01724	8.0
137.02480	12.4
138.03262	71.5
139.04050	30.5
149.02484	6.0
161.04510	21.8
174.99252	12.6
181.03459	4.8
181.05029	8.2
185.60736	4.7
193.05000	5.2
197.04620	4.2
199.04352	4.5
203.02458	8.6
217.00281	44.7
218.00572	3.9
219.01434	5.9
219.97797	11.7
245.07613	7.8
251.00575	4.4
283.38525	3.8
301.09497	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	361.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03450	0.5
59.01385	7.8
64.68433	0.3
65.00317	0.5
68.99820	0.4
69.03445	0.9
71.01392	7.2
71.41607	0.5
72.99292	0.5
73.02941	1.4
78.01114	1.0
79.01953	0.4
80.96540	0.5
81.03439	0.5
82.83369	0.3
83.01385	2.1
85.02967	2.1
89.00328	1.8
89.02451	5.2
91.01914	1.0
93.03474	0.4
95.01421	0.9
96.96024	0.5
97.02958	1.6
99.00884	0.4
99.92601	1.0
100.93372	1.2
101.02457	11.3
106.00607	2.4
109.02948	1.2
111.00907	0.7
111.04540	0.4
113.02467	1.6
115.04003	0.4
115.92089	1.7
116.92860	1.3
117.03416	0.6
119.03506	1.6
119.04940	0.5
121.02968	30.4
122.03300	1.5
123.00864	2.5
125.02444	0.7
127.00355	1.0
131.03569	0.8
135.04530	0.7
136.98801	0.5
137.02440	2.1
138.03232	4.5
139.00357	0.7
139.03920	0.4
141.01938	1.1
151.03981	0.5
153.02013	0.7
153.05589	26.7
154.05899	1.2
154.99792	0.4
155.03523	1.0
161.02448	1.1
163.06110	1.8
164.60461	0.4
166.99854	1.0
168.00740	0.5
175.04091	0.6
181.01381	0.5
181.07193	6.1
181.08665	0.7
182.02199	2.2
182.07492	0.4
183.02975	1.1
184.34692	0.4
195.03009	0.4
197.04559	100.0
198.04915	5.4
202.85857	0.3
211.07767	0.5
217.00279	0.4
222.49055	0.4
225.04037	0.6
226.96518	0.7
244.97589	0.9
255.06857	0.5
273.07468	0.4
315.08905	0.4
361.05875	3.5
361.09778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02143	1.4
58.02980	11.4
59.01387	13.9
63.58304	1.4
69.67442	1.5
69.67780	5.2
70.03001	1.7
73.02972	1.3
74.02482	27.0
80.05070	3.0
82.03010	10.6
83.01396	4.4
83.05059	2.3
85.02959	2.0
85.04131	1.8
86.02489	2.0
87.05635	2.3
96.04568	13.3
97.04090	16.3
98.02483	12.9
98.06149	1.5
99.05655	24.1
100.00457	3.0
101.02471	3.6
105.11246	1.4
108.04577	17.2
109.04101	4.2
110.02494	4.8
110.06114	2.0
112.04078	13.8
112.07703	12.7
113.03604	11.2
114.05619	1.4
122.06117	6.4
124.04037	12.5
125.03545	2.7
125.04853	7.0
126.04308	2.3
126.05656	11.1
127.05161	22.2
133.06947	30.8
137.07204	6.5
138.05666	2.7
139.08791	2.0
140.07195	27.4
143.04642	4.2
145.05345	3.2
150.04382	3.1
152.03535	8.9
155.08301	43.3
165.05492	2.8
165.06725	25.1
166.05084	3.8
168.03085	1.5
181.06281	1.8
183.07773	69.9
184.08112	2.0
196.02560	11.4
209.05713	1.9
225.05165	3.9
227.06764	100.0
228.07097	4.4
267.11618	2.0
268.66208	1.7
285.12607	2.1
311.10510	1.8
329.11447	4.3
343.12671	2.0
361.14099	19.7
361.22256	3.1
376.20087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44824	1.1
57.88126	1.2
58.02980	11.7
63.99668	1.0
65.55553	1.3
69.28900	6.7
74.02474	23.7
78.00356	1.3
80.05082	1.5
82.02985	4.4
83.01394	3.2
83.77757	1.0
86.02443	1.0
87.02715	1.1
87.05620	1.3
96.04557	12.2
97.04082	11.9
98.02477	6.8
99.05650	21.1
100.00424	2.9
101.02455	1.7
108.04561	12.7
109.04082	3.6
110.02485	3.3
110.06131	1.5
112.04045	12.2
112.07701	15.5
113.03604	8.7
113.04258	1.7
113.07999	1.2
120.04585	1.3
122.06128	4.9
123.05617	1.9
124.04041	11.7
125.03543	2.7
125.04861	6.6
126.04389	1.9
126.05624	7.5
127.05138	21.0
133.06946	16.2
137.07236	8.5
138.05608	1.8
139.08824	1.7
140.07198	23.1
143.04613	5.6
150.04350	1.8
152.03532	5.8
155.08279	38.9
165.06729	25.8
166.05138	2.8
166.06989	1.7
181.06331	2.8
183.07767	62.2
184.08051	2.2
209.05731	2.8
225.05112	4.7
227.06763	100.0
228.07013	4.6
361.14450	15.4
361.22421	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	361.1508
Annotation	1-O-beta-D-Glucopyranosylamplexine
Peak:m/z	Relative Intensity
59.01385	100.0
68.02957	1.0
69.03458	1.9
71.01389	34.1
71.41866	1.3
73.02953	62.9
79.49519	1.2
83.01382	13.8
85.02967	6.8
87.00882	2.4
88.98816	1.7
89.00687	1.2
89.02449	14.9
95.01426	2.2
97.02953	2.1
99.00863	2.1
101.02451	41.5
102.02808	1.5
104.72640	1.1
113.02457	13.1
119.03522	4.2
119.05061	3.3
122.50066	1.0
125.02538	1.7
131.03506	1.9
139.07671	28.9
140.07950	1.1
143.03484	2.6
145.05299	2.1
155.03455	1.8
157.08733	2.7
160.04092	3.6
161.04616	6.0
178.26624	1.1
189.04283	3.5
267.11423	2.5
301.12970	14.5
311.10416	2.0
319.13992	38.4
320.14212	3.5
343.12988	4.3
361.15063	89.0
362.15369	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	361.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03432	1.2
59.01385	100.0
60.01710	1.4
69.03464	0.9
70.02244	1.1
70.02582	1.6
71.01391	33.6
73.02953	62.9
75.00880	1.3
80.16132	0.7
81.03465	0.9
83.01398	13.7
85.02957	6.2
87.00885	3.2
88.98817	1.1
89.02452	13.2
93.07028	0.8
95.01383	2.6
97.02967	1.8
99.00880	1.3
101.02451	40.6
110.06115	1.0
112.00406	0.7
113.02462	11.7
119.03507	4.3
119.05025	2.0
122.06131	3.0
125.02470	1.1
131.03577	1.9
132.04514	1.0
139.07666	28.8
143.03531	2.3
145.05322	8.0
146.06151	2.5
157.08739	3.9
160.04042	12.7
161.04791	13.3
162.05600	1.8
164.07123	1.4
176.03546	1.5
189.04329	16.7
190.04825	1.9
193.03838	2.0
200.43449	0.9
201.01967	2.6
214.15805	1.2
221.03322	1.7
221.06944	5.9
229.01352	1.1
231.11356	1.6
255.11433	3.8
267.11356	7.0
270.94269	1.0
285.12354	2.1
299.10367	2.7
301.12936	13.6
302.13394	1.2
311.10428	10.5
319.13986	33.1
320.14172	2.3
329.11484	3.3
331.12915	5.2
343.12985	18.6
344.13361	1.6
361.15060	86.1
362.15369	9.9
362.20508	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.151
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03432	1.6
59.01385	48.5
61.16391	1.1
69.03448	1.4
69.38911	5.0
70.25752	1.1
71.01387	19.3
72.99291	3.1
73.02944	2.4
79.09568	1.4
83.01363	2.3
85.02960	5.6
87.00883	2.8
89.02448	17.9
94.75403	1.2
95.01409	1.8
97.06603	1.2
101.02448	11.4
107.08683	17.4
107.78499	1.0
109.02949	1.1
113.02454	6.6
118.46427	1.1
119.03537	6.8
119.05036	2.5
119.08685	2.2
121.02979	1.5
123.08183	1.4
124.49078	1.4
130.33766	1.0
136.50281	1.0
153.09196	2.4
181.08716	27.1
182.09047	1.6
184.59836	1.1
197.05740	1.3
198.51282	1.1
199.09763	31.8
199.79550	1.2
318.14941	1.8
352.68359	1.2
361.15079	100.0
362.15326	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	361.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13183	1.1
57.03442	1.4
59.01386	54.8
67.75747	1.1
69.03472	1.7
70.96584	1.1
71.01384	23.3
72.99312	2.1
73.02952	1.6
78.95911	1.2
83.01387	2.2
85.02976	6.3
87.00855	1.2
89.02451	19.8
95.01403	1.5
99.00835	1.0
101.02451	13.8
107.08679	21.2
113.02484	8.5
119.03525	8.3
119.05044	2.8
119.08628	2.9
121.02909	1.0
133.06668	1.0
163.07660	2.4
165.13791	1.4
174.99216	1.8
178.00218	1.4
179.05602	1.3
181.08720	29.8
195.10405	1.2
199.09792	31.6
200.10117	1.7
361.15070	100.0
362.15274	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	361.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03448	0.7
59.01393	1.5
65.03168	0.3
65.03993	0.3
66.02190	0.3
67.01891	0.7
69.03458	0.9
71.01385	0.9
71.05012	0.7
71.44028	0.4
80.02684	5.7
81.03445	0.8
83.05038	3.0
85.02956	0.4
93.59574	0.3
95.05003	0.4
97.06601	0.8
98.00106	5.5
99.00891	29.0
100.01227	0.4
101.02427	0.3
107.05003	0.6
107.08614	0.3
109.06603	7.0
110.06895	0.3
111.00173	0.6
111.00893	8.6
111.08151	0.4
119.05055	0.7
120.05797	0.4
123.08159	0.5
124.01674	29.4
125.01978	0.7
135.04582	0.4
135.08189	3.4
137.09705	1.0
149.09750	0.7
151.11278	0.4
163.11189	0.3
169.10217	0.3
173.09747	0.9
173.13507	0.4
175.11279	3.5
175.15018	0.3
176.11577	0.4
178.06360	0.9
179.07156	2.7
180.07799	0.4
180.74762	0.3
187.11259	0.6
189.12868	13.2
190.13219	0.9
191.14424	4.4
192.14694	0.5
201.12909	0.9
203.14366	1.7
205.12256	0.4
229.16061	2.4
230.16367	0.4
243.17570	0.5
245.19107	9.4
246.19449	1.0
247.13275	0.4
255.17606	0.7
271.17068	0.4
273.15759	0.3
273.18619	7.4
274.19043	1.1
279.45334	0.3
289.18097	1.2
299.16736	0.5
317.17569	11.1
318.18036	1.3
361.16568	100.0
362.16888	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	361.1659
Annotation	Laxiflorin K
Peak:m/z	Relative Intensity
63.20636	0.3
71.06042	0.5
85.49564	0.4
90.81745	0.3
115.28823	0.4
124.01705	0.7
124.97942	0.4
125.02479	0.5
147.04619	0.4
167.57091	0.4
173.09732	0.4
175.04044	0.8
175.11411	0.5
180.04314	0.9
188.08443	0.4
204.04332	1.1
205.04970	0.7
231.10339	0.6
243.13861	0.4
244.11015	0.9
245.11600	0.5
248.06915	0.4
257.08194	0.5
257.11826	0.4
269.11932	1.4
270.09290	0.5
270.12701	0.4
271.09848	0.7
272.10626	1.6
283.09781	0.5
285.11371	1.6
286.12131	4.4
287.12903	33.8
288.13248	4.1
311.13065	0.6
313.14478	14.5
314.14896	1.7
315.12488	0.6
329.14127	2.0
330.14417	0.5
331.15533	74.4
332.11945	0.7
332.15836	8.5
361.16586	100.0
362.16904	12.2
366.54529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.166
Annotation	Xerophilusin N
Peak:m/z	Relative Intensity
61.98814	0.5
64.36047	0.4
69.99753	1.0
70.00089	0.5
83.18156	0.4
84.59927	0.4
90.33995	0.3
96.95927	0.4
123.04506	0.4
128.61520	0.4
131.58693	0.4
132.93600	0.4
137.02444	0.6
138.03233	1.0
139.04036	0.8
165.05542	0.5
165.28667	0.4
178.02690	3.9
179.06958	0.4
202.98692	0.4
204.04373	0.5
219.06693	0.5
222.05342	1.6
228.22249	0.5
241.08719	0.5
255.10429	0.9
256.11032	0.7
269.08124	1.3
269.11847	0.4
271.13397	1.2
272.07266	0.4
273.11386	1.0
276.13571	0.5
283.09726	1.5
284.10507	1.3
285.11316	0.8
287.13040	0.9
299.12854	4.5
303.12540	0.7
315.12833	0.6
316.13174	0.7
317.13928	4.2
318.14212	0.9
325.14459	1.5
328.13162	0.8
329.14044	1.1
343.15509	11.2
344.15793	1.4
361.16583	100.0
362.16913	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1661
Annotation	Humirianthol
Peak:m/z	Relative Intensity
55.01893	0.4
57.03437	0.6
59.01398	0.9
67.01884	0.5
68.99809	0.4
69.03450	0.6
69.36643	2.0
71.04980	0.5
76.40627	0.4
81.03454	1.9
93.03483	0.5
95.04980	0.6
96.02139	0.4
97.02968	1.0
98.22575	0.7
99.04523	2.3
100.84175	0.5
107.05022	0.8
109.02964	1.7
111.00922	0.6
111.04532	0.8
121.06618	0.5
122.03757	0.4
123.00902	1.3
123.04546	1.3
123.08186	5.4
124.01669	0.9
125.02438	1.8
133.06670	0.5
137.02499	1.3
138.03218	0.7
139.00403	0.5
149.02461	0.5
149.06093	0.7
150.03210	1.6
151.00404	1.1
151.04013	0.6
152.01184	0.5
152.04787	0.4
153.01964	0.5
157.05020	0.5
159.08206	0.5
163.11406	0.4
165.05602	4.8
166.05942	0.4
169.05109	0.6
173.09752	0.4
175.03923	0.5
175.11360	0.7
177.05540	0.6
178.02711	0.4
187.11305	1.3
189.12886	2.2
191.07109	0.7
193.05074	2.2
196.03838	2.2
202.98880	0.8
203.14461	0.5
205.12361	0.9
209.08257	3.5
211.11336	1.1
217.12379	0.4
217.16081	1.1
225.09363	0.6
227.14432	5.8
228.14867	0.5
229.12392	0.5
229.16063	0.8
233.24551	0.4
237.07593	1.9
239.10995	0.4
241.08791	0.7
243.10226	1.6
243.13959	1.2
245.11870	0.4
245.15530	1.1
255.10306	0.8
255.13986	2.5
256.11081	1.1
257.11691	0.4
258.12546	0.8
271.13425	5.4
271.16586	0.8
272.13885	0.5
273.14999	2.3
275.12918	0.9
289.14545	1.8
289.17706	0.5
299.12924	2.4
299.16190	0.6
315.16080	1.4
317.13934	2.0
317.17575	1.3
333.17050	5.2
334.17316	0.7
343.15567	1.3
361.16592	100.0
362.16928	12.3
375.44916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1663
Annotation	Humirianthol
Peak:m/z	Relative Intensity
50.79453	0.7
55.01882	1.0
59.01374	2.0
68.84660	0.6
69.03462	0.6
69.54939	3.3
71.05016	1.0
76.03723	0.6
80.02695	5.3
83.05030	1.1
95.18742	0.7
97.06620	0.8
98.00122	5.5
98.21805	0.8
99.00893	23.6
109.06599	5.5
111.00886	6.9
119.05080	0.7
124.01675	24.9
125.02177	0.7
135.08203	2.9
137.09750	0.9
145.83519	0.7
173.09727	0.9
173.13365	0.7
174.99161	0.8
175.11299	2.1
178.06396	0.9
179.07111	2.0
189.12866	9.8
190.13217	1.1
191.14436	3.0
196.96555	0.9
202.98758	1.0
203.14372	2.0
229.15894	2.3
245.19139	7.5
273.18640	5.0
289.18106	1.9
317.17581	8.7
329.13934	3.1
346.14294	1.4
353.03839	0.9
361.16580	100.0
362.16928	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	361.1662
Annotation	gibberellin A25
Peak:m/z	Relative Intensity
59.01372	0.5
61.46448	0.5
69.89139	1.3
69.89504	1.2
71.05018	1.2
98.22642	0.6
135.08203	2.9
137.09702	2.4
147.04530	1.6
155.08606	0.8
173.09703	0.8
175.11269	3.0
177.12975	0.7
189.12767	3.1
191.14441	3.2
210.89810	0.6
217.12328	4.8
218.12871	0.6
219.14023	1.0
229.16019	1.9
231.17537	1.6
241.58054	0.8
245.19128	5.2
255.17601	0.8
257.15488	1.6
258.16281	9.2
259.16531	0.8
273.18631	14.6
274.18988	1.4
299.59021	0.7
317.17590	100.0
318.17996	10.4
326.35593	0.6
361.16589	77.2
362.16913	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	361.1661
Annotation	gibberellin A25
Peak:m/z	Relative Intensity
59.01395	0.8
69.60555	2.0
71.30865	0.7
83.05000	0.7
126.13091	0.7
132.18015	0.6
135.08176	2.1
137.09731	1.9
147.04543	1.3
147.08220	0.7
153.64377	0.7
175.11302	3.4
189.12834	3.3
191.14421	3.8
196.53746	0.6
201.09122	0.8
217.12343	4.5
218.12839	0.7
229.16006	2.4
231.17461	1.5
245.19199	4.0
257.15488	1.6
258.16251	7.9
273.18640	13.8
274.18933	1.4
309.78445	0.7
317.17584	100.0
318.17978	11.9
361.16580	79.5
362.16931	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	361.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.7
67.34876	1.2
68.62775	1.0
71.03737	1.0
71.40767	1.3
80.22158	1.3
95.63660	1.0
101.56519	1.1
279.23309	100.0
280.23654	10.7
281.54456	1.3
335.07693	1.4
361.15350	8.0
361.23602	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	362.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	7.4
63.32577	1.0
69.46657	2.1
69.47029	1.9
76.36123	1.1
79.95741	20.3
80.96501	1.5
83.01395	2.9
98.21856	2.6
110.00104	1.5
163.00372	9.4
165.99104	2.9
166.55365	1.2
171.04640	1.4
172.05211	1.4
184.05305	3.8
196.05458	1.3
198.03197	1.7
199.07835	1.6
212.05051	1.2
224.04823	2.5
231.20657	1.1
239.03479	2.8
244.21021	1.1
267.02972	2.7
268.03784	100.0
283.02917	2.5
283.06155	51.7
363.01828	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93981	44.9
61.98833	64.9
76.87479	50.5
121.24409	47.7
122.93478	50.6
362.16635	100.0
363.08606	84.8
363.17874	63.6
370.32162	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
64.99979	0.8
65.00328	15.1
68.99818	1.2
69.03439	0.6
69.20776	2.4
72.99334	0.7
79.95732	0.6
80.96545	0.7
83.21384	0.5
92.99818	1.8
93.03414	0.7
96.96029	0.9
96.99320	3.4
98.22645	0.7
108.99339	1.4
109.02973	0.6
110.00101	4.4
111.00917	0.7
113.02458	0.6
115.05506	0.6
117.03470	5.6
120.99339	1.8
136.98820	19.9
137.02397	0.6
137.99605	1.6
139.00392	1.5
141.03496	1.4
143.05028	2.3
145.02943	0.8
153.02007	0.7
155.05032	1.5
159.04555	0.7
161.02493	1.2
163.04041	0.5
164.98311	17.1
165.05692	0.5
165.99048	2.8
166.99879	0.7
167.05005	1.7
168.05499	0.7
169.02991	1.0
171.04509	1.0
183.04524	14.4
184.04883	0.9
185.02463	8.6
186.02950	0.5
187.04034	1.1
189.05556	0.6
211.04022	9.3
212.04639	0.9
213.01970	1.1
214.02927	0.5
215.03535	1.0
227.03500	1.7
231.06548	0.7
231.10234	0.6
239.03532	2.5
255.03009	23.7
256.03412	2.7
275.12796	0.7
283.02502	100.0
284.03134	25.5
319.08392	0.7
362.98190	2.1
363.07367	2.0
363.10931	1.3
363.14774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.9822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
65.00330	17.6
66.00675	0.4
68.99819	1.4
69.61079	1.6
73.49786	0.4
79.95737	0.8
80.96525	0.7
82.00586	0.4
84.15133	0.5
84.26015	0.4
86.64571	0.4
87.69378	0.4
89.02432	0.5
90.76471	0.4
92.99817	1.7
96.95996	0.8
96.99301	2.6
101.02453	0.7
101.03993	0.5
108.99321	1.1
110.00098	4.9
111.00872	1.1
112.70322	0.4
117.03476	7.0
118.03749	0.7
120.99342	1.5
135.00835	0.4
135.04488	0.4
136.98824	22.5
137.99516	1.3
139.00381	1.8
141.03502	1.3
143.05046	3.6
145.02975	1.5
155.05028	1.2
159.04526	1.5
159.08130	0.5
161.02443	0.9
162.02647	0.4
163.00359	0.5
164.96904	0.9
164.98300	18.0
165.05536	0.6
165.99088	3.4
167.03696	0.4
167.05022	2.2
169.02946	2.0
170.03917	0.4
171.04527	1.0
173.06035	0.4
182.03790	0.5
183.04521	15.3
184.04854	0.9
185.02437	10.0
186.02803	0.6
187.03964	0.7
187.07741	0.7
197.04556	0.6
198.04860	0.7
200.04906	0.5
211.03995	8.2
212.04642	0.8
213.01985	1.0
214.02672	0.7
215.03503	1.6
227.03477	3.4
231.06534	0.8
231.10320	0.9
239.03462	2.5
255.03004	22.9
256.03387	1.8
257.08151	0.5
275.12766	0.4
283.02499	100.0
284.03171	29.5
319.08173	0.5
319.12039	0.8
362.98215	2.0
363.07230	2.5
363.11020	2.2
363.14670	1.1
363.98734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0182
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
79.95747	25.6
80.96515	2.1
85.64782	1.1
98.21848	4.1
98.22561	7.4
110.00113	1.9
117.04067	1.1
119.01338	1.5
121.42239	1.0
139.05544	1.4
163.00424	7.8
165.99019	2.5
188.52536	1.1
196.05334	1.3
198.03232	1.8
224.04814	3.0
239.03596	1.7
240.04170	1.3
268.03793	100.0
269.04092	6.2
283.02975	2.3
283.06146	40.8
284.06497	3.9
348.26062	1.3
363.01852	30.6
364.02255	4.7
386.21103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0181
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
67.91278	0.8
70.04394	2.4
79.95293	1.8
79.95741	23.4
80.96545	1.2
81.62403	0.8
110.00089	2.2
119.01458	0.9
119.41866	0.9
122.14410	0.8
128.77498	0.8
131.67326	0.9
149.46286	0.9
163.00369	7.6
165.99063	2.3
184.05309	3.0
196.05251	2.3
198.03246	1.3
211.04044	1.1
212.04770	2.3
223.03954	1.3
224.04771	3.2
239.03528	2.4
240.04219	1.4
267.03027	2.2
268.03778	100.0
269.04144	9.5
278.21426	0.9
283.06137	33.7
284.06525	3.6
329.17606	0.9
362.97272	2.0
363.01797	32.1
364.02121	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	363.0182
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
55.35257	0.3
56.68981	0.3
65.00323	7.2
84.19062	0.4
84.29251	0.4
89.00349	2.1
91.01892	1.2
94.00620	1.7
97.02956	6.0
100.93114	0.4
106.10915	0.4
117.03486	1.0
120.48030	0.4
121.02975	3.1
122.00106	2.8
149.99608	3.5
165.01936	29.7
166.02286	1.8
184.36504	0.3
196.05327	1.4
204.87057	0.4
239.03520	0.5
240.04268	5.1
267.03036	3.7
268.03769	12.3
269.04099	0.9
283.06128	100.0
284.06448	9.5
363.01843	5.7
364.02124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64775	0.5
64.96798	0.4
65.00314	0.4
70.05882	1.1
79.95741	23.8
80.96485	1.8
98.21986	0.8
105.91981	0.5
110.00088	1.9
114.97208	0.5
119.01389	0.7
132.22472	0.5
135.00871	0.6
137.99542	0.5
146.67915	0.5
159.00995	0.6
163.00380	10.5
165.99089	2.4
171.04514	0.6
178.04262	0.5
184.05302	2.7
196.05310	1.9
198.03259	2.4
211.04111	0.7
212.04790	0.8
223.03995	0.7
224.04819	2.3
239.03447	2.5
240.04254	1.8
267.02911	2.2
268.03772	100.0
269.04123	11.7
283.06134	38.2
284.06436	3.3
301.58469	0.5
338.63318	0.6
363.01822	39.1
364.02136	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	363.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00302	0.4
69.11551	1.7
69.11978	1.1
69.84219	0.4
79.95744	26.6
80.96512	1.7
97.25684	0.4
98.22752	0.8
110.00105	1.7
118.65241	0.4
119.01385	1.1
135.00931	0.4
137.99608	1.1
163.00394	9.0
164.00740	0.6
165.99084	3.8
171.04558	0.6
184.05341	3.3
195.04562	0.7
196.05261	1.6
198.03152	2.3
211.04056	1.3
212.04816	1.6
213.05367	0.4
223.04041	0.6
224.04802	3.1
239.03511	1.7
239.07243	0.5
240.04260	1.3
245.36906	0.4
267.02942	1.9
268.03787	100.0
269.04114	9.3
283.06143	41.8
284.06573	3.6
363.01825	43.7
364.02048	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	363.0184
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
59.01382	0.5
62.37253	0.4
65.00325	0.5
69.29469	0.9
69.29861	1.4
69.30185	0.4
89.75565	0.4
96.96040	0.6
98.21755	0.6
104.44969	0.4
110.00101	2.3
119.01398	1.0
137.02486	1.1
137.99605	1.0
139.05554	0.9
142.83569	0.4
156.05775	0.4
160.14619	0.4
163.00388	9.9
164.00658	0.7
165.99069	3.3
171.04579	0.8
172.05240	0.5
183.35887	0.4
184.05260	2.7
191.00053	0.5
195.04562	0.7
196.05275	2.7
198.03220	2.5
211.04036	0.9
212.04796	0.9
223.04121	0.6
224.04774	1.5
239.03473	3.3
240.04089	1.7
267.03046	2.4
268.03787	100.0
269.04132	9.3
283.06140	82.5
284.06467	9.2
301.03720	0.4
309.59811	0.5
319.12027	0.7
319.15482	0.7
319.19318	0.6
336.93268	0.4
363.01910	4.0
363.14502	1.1
363.18546	0.5
370.12454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03442	3.5
58.00621	1.2
58.41613	1.3
59.01387	97.9
66.92364	1.3
71.01026	2.1
71.01395	34.1
72.99319	2.1
73.02946	3.7
74.96400	3.7
78.95924	3.9
83.01399	4.1
83.05026	1.7
85.02970	10.6
88.94569	1.4
89.02451	29.4
95.01413	2.9
101.02455	18.2
110.94112	36.9
113.02463	12.7
115.04021	10.6
119.03511	14.7
119.04996	1.7
140.10847	4.7
152.71411	1.4
158.84726	1.3
161.04593	2.8
168.94727	6.5
179.05563	2.1
183.10294	18.8
184.09772	12.7
187.04056	1.6
201.11272	3.4
204.92300	51.3
206.92020	2.0
262.98892	1.5
315.00201	1.5
363.16656	100.0
364.17038	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03452	1.1
59.01385	16.3
60.01728	0.4
61.22569	0.4
66.14298	0.4
69.39540	2.3
71.01389	9.7
71.09541	0.4
72.99315	14.8
73.02955	4.6
83.01386	2.6
85.02949	4.9
86.00102	1.1
87.00906	0.8
89.02457	3.1
95.01381	0.8
97.03001	0.6
99.00874	1.5
101.02455	10.4
108.82333	0.5
111.00909	0.9
111.81429	0.4
113.02463	3.4
119.03531	1.2
119.05027	0.5
141.01897	0.4
145.63945	0.5
161.43761	0.5
175.51253	0.4
183.10262	2.2
201.11337	2.8
256.03052	0.5
258.11411	0.5
275.16626	0.9
281.13980	0.9
304.26941	0.5
319.15323	1.1
345.15381	1.5
363.16638	100.0
364.16962	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	363.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56319	0.6
56.42659	0.6
57.03442	1.0
57.17069	0.6
59.01387	100.0
60.01716	1.4
69.45692	1.5
69.46080	1.1
71.01391	18.3
72.99319	0.6
73.02951	1.4
78.95918	0.6
83.01407	1.5
85.02961	3.2
87.00884	0.6
87.05663	1.0
89.02460	19.3
95.01408	1.8
101.02463	12.5
113.02454	7.5
119.03529	7.2
129.06743	1.2
161.04623	1.0
164.03528	0.8
179.05615	1.1
183.10277	3.9
196.06146	0.6
201.11407	0.7
287.10437	1.5
319.15558	1.4
345.15582	7.0
363.16653	83.6
364.17044	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	363.1817
Annotation	Xerophilusin C
Peak:m/z	Relative Intensity
55.01895	1.8
57.03447	4.2
58.00590	2.6
58.10485	1.2
59.01371	2.6
60.39972	1.2
63.18920	1.4
67.01154	1.2
68.49986	1.2
69.03470	5.1
69.08134	3.3
69.08533	6.8
71.01388	7.0
71.05025	5.4
71.06628	1.3
73.02959	7.8
83.05038	16.3
85.02933	2.4
85.06580	2.8
85.94283	1.3
87.04514	6.5
91.10544	1.3
93.07085	2.6
97.06590	1.9
101.02428	1.5
107.05052	3.2
109.06600	6.0
111.08152	1.8
113.06099	5.5
135.08199	12.2
135.25800	1.5
137.06065	1.5
147.08229	2.2
168.33644	1.2
174.10579	1.4
175.11180	1.6
183.11784	1.9
185.09766	2.7
185.13396	5.0
186.10471	3.5
187.11310	4.6
189.12863	15.7
190.13266	1.8
191.14423	3.9
199.01442	1.2
199.14908	2.0
201.12901	14.1
202.13481	1.8
203.14403	16.6
205.12321	3.8
215.14439	1.4
217.16031	10.8
219.13908	33.7
219.17273	1.3
220.14284	2.6
221.15483	4.9
233.15375	1.2
243.13988	2.2
245.15523	3.2
261.14966	7.0
261.18588	3.0
273.18695	1.7
289.14490	61.9
290.14877	6.0
291.19662	10.4
308.96271	1.8
335.18756	3.1
363.18149	100.0
364.18555	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	363.1819
Annotation	Gibberellin A123
Peak:m/z	Relative Intensity
55.79669	0.8
57.03446	3.7
59.01376	2.4
69.05203	1.7
69.05618	4.5
78.95927	1.4
79.95750	1.2
81.03465	1.3
83.05032	13.8
84.05299	0.8
95.05048	1.0
96.96013	1.8
97.02968	10.3
97.06601	10.5
99.04504	5.8
117.03425	1.0
119.05006	1.0
123.08199	1.4
124.47417	0.8
147.11803	1.1
149.09790	1.7
156.21230	0.9
173.13364	4.6
187.19633	0.8
191.14606	1.3
196.12357	1.0
197.13535	1.4
201.12921	2.2
203.14427	7.5
204.14775	1.2
239.18056	2.4
245.19258	1.1
255.17587	1.3
257.19168	4.4
268.03809	5.6
269.04086	1.6
273.18637	13.4
275.20288	1.8
283.06110	2.2
283.16882	1.2
289.02713	0.8
301.18170	6.5
319.19171	60.8
320.19485	6.3
348.03885	2.5
363.01883	2.2
363.06049	2.4
363.18170	100.0
364.18515	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	363.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79669	0.8
57.03446	3.7
59.01376	2.4
69.05203	1.7
69.05618	4.5
78.95927	1.4
79.95750	1.2
81.03465	1.3
83.05032	13.8
84.05299	0.8
95.05048	1.0
96.96013	1.8
97.02968	10.3
97.06601	10.5
99.04504	5.8
117.03425	1.0
119.05006	1.0
123.08199	1.4
124.47417	0.8
147.11803	1.1
149.09790	1.7
156.21230	0.9
173.13364	4.6
187.19633	0.8
191.14606	1.3
196.12357	1.0
197.13535	1.4
201.12921	2.2
203.14427	7.5
204.14775	1.2
239.18056	2.4
245.19258	1.1
255.17587	1.3
257.19168	4.4
268.03809	5.6
269.04086	1.6
273.18637	13.4
275.20288	1.8
283.06110	2.2
283.16882	1.2
289.02713	0.8
301.18170	6.5
319.19171	60.8
320.19485	6.3
348.03885	2.5
363.01883	2.2
363.06049	2.4
363.18170	100.0
364.18515	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	363.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90252	17.6
72.54512	18.0
93.69289	19.3
142.86340	17.5
165.30692	18.2
185.11876	23.3
219.89467	20.3
309.20605	20.7
327.21707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06863	0.8
59.01383	6.4
61.98832	5.5
65.04281	1.0
69.35780	4.5
74.21326	0.8
75.52969	0.9
81.60919	0.7
82.06130	0.8
86.38567	1.0
93.03490	1.3
98.22614	2.2
105.13436	0.9
109.02937	2.1
111.00914	1.6
133.02963	10.6
135.04530	3.8
137.02464	3.7
139.00368	3.6
161.02386	0.9
164.98239	1.6
165.01964	3.8
166.99849	2.4
175.04033	1.1
187.04066	1.1
201.02168	0.9
211.77159	0.9
213.05579	1.4
255.03000	2.0
284.03162	1.1
285.04047	18.9
301.03555	100.0
302.03931	8.1
364.99707	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	364.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	2.0
57.03440	3.0
59.01384	100.0
59.20462	1.5
69.96835	2.9
71.01384	32.3
73.02950	10.0
78.67728	1.6
79.50060	1.8
81.03604	1.7
83.01405	3.9
85.02950	12.5
89.02456	6.7
95.01389	2.7
98.21862	1.9
99.00871	4.6
101.02460	21.8
113.02451	14.1
140.00873	2.2
143.03502	2.6
150.28635	1.7
159.02977	4.8
161.04567	34.9
162.04901	1.9
183.99881	9.9
203.24249	1.7
277.10770	1.6
285.04034	4.0
304.05957	5.6
346.10043	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0831
Annotation	(-)-Turkiyenine
Peak:m/z	Relative Intensity
59.89415	0.8
65.00333	2.3
65.99849	3.2
68.99815	1.2
69.03946	2.5
69.04363	3.5
79.95749	1.2
82.02991	3.0
94.02987	3.7
94.75835	0.8
98.22754	1.4
110.02540	0.8
111.00917	1.5
116.82993	0.7
117.03437	1.0
118.03025	1.9
118.12965	0.8
119.05040	0.8
120.04578	3.0
122.02524	2.7
122.06336	0.7
131.43733	0.7
133.03035	1.1
134.02458	1.0
136.00427	0.8
136.04050	1.7
144.04529	1.8
146.02444	4.5
150.02000	2.3
151.00375	1.6
160.04097	3.0
161.02434	0.9
162.01985	2.3
164.03549	7.5
165.01944	1.0
169.06606	1.4
171.04544	6.4
172.59995	0.8
175.99921	2.1
186.83784	0.8
187.02852	0.8
188.03580	3.3
189.00641	1.4
190.01459	2.9
192.06641	1.9
193.01439	2.4
203.02336	1.0
204.03073	2.3
213.05525	1.8
216.03026	1.0
232.02562	9.0
236.07062	0.8
242.01027	0.8
249.05696	1.5
250.08781	1.5
252.06621	1.0
255.06706	5.1
260.01990	0.9
261.05963	1.9
262.06287	1.7
266.08194	1.7
268.03760	1.5
269.04132	3.4
278.08139	0.9
280.06265	4.6
283.06189	1.0
284.03537	1.2
284.06418	5.1
285.04022	12.9
292.09763	1.4
294.07733	5.7
308.09360	2.3
320.09140	0.9
336.08838	62.0
337.09192	6.5
364.08289	100.0
364.16617	5.0
364.99826	1.3
365.08978	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1195
Annotation	Corynoloxine
Peak:m/z	Relative Intensity
58.24786	0.5
65.00333	4.2
69.40219	2.3
69.40607	1.3
71.60699	0.6
73.02946	1.0
85.56477	0.5
88.04078	0.6
92.05058	1.1
93.03468	16.2
93.57968	0.6
94.03794	0.6
94.06604	1.3
96.95988	0.8
106.06629	0.7
107.01510	0.6
108.02197	0.7
117.03487	1.3
119.05040	61.7
120.05379	2.0
121.02957	0.7
122.06087	0.5
130.06599	1.6
132.08226	3.6
134.06142	10.2
134.07097	1.1
142.75896	0.7
143.05042	0.8
145.02959	1.7
156.08180	4.3
157.05379	0.7
158.06133	24.9
159.06499	0.9
171.03265	0.7
172.07687	0.8
174.05574	1.0
176.07191	8.1
177.07622	0.6
177.71490	0.8
184.04047	0.9
185.04826	0.9
187.04051	2.1
200.07214	7.1
215.02133	1.1
217.07072	0.7
218.08273	0.9
232.62701	0.6
242.08258	0.8
244.06166	67.3
245.06516	6.0
258.07703	3.4
259.07971	0.7
262.07291	0.9
270.07724	11.4
271.08142	1.1
322.11020	0.8
346.10965	0.9
364.11932	100.0
365.12277	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	364.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15553	0.3
59.01374	1.7
64.73073	0.4
65.00333	1.7
67.01898	0.6
69.11232	0.3
69.57695	1.0
80.96535	0.4
83.01395	1.0
95.01400	2.2
96.99290	0.5
107.01384	2.1
111.00894	11.3
117.03475	0.7
119.05035	7.8
123.00886	1.5
124.78168	0.3
125.02441	1.4
133.02979	0.9
135.00877	0.4
136.98846	1.7
137.02444	1.3
139.00391	13.3
143.05038	0.9
151.00383	7.3
157.06511	0.4
161.02466	1.2
164.98296	1.6
165.01991	1.0
165.98958	0.4
166.99855	4.8
167.05075	0.7
169.06590	1.3
171.04549	1.1
173.06075	0.8
175.04018	0.5
178.99835	0.8
179.05037	0.7
185.06104	0.9
190.99846	0.6
192.00702	1.1
195.04477	1.0
197.06076	0.6
198.03278	0.6
199.04036	1.2
213.05583	1.4
217.05127	1.0
223.04004	2.9
224.04462	0.4
225.01933	1.4
233.11790	0.9
233.80005	0.4
239.03519	1.4
241.04951	0.9
242.02341	0.8
243.02995	0.7
243.80624	0.4
257.04666	0.6
258.18036	0.3
267.03098	1.0
283.02621	1.8
285.04065	100.0
286.04410	8.8
323.92657	0.4
364.99728	23.8
365.08832	1.7
365.99884	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	364.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88303	1.0
65.00334	1.4
68.08868	0.8
69.27525	5.3
83.01441	1.0
106.78632	1.0
110.00115	1.1
111.00887	11.8
112.13477	0.9
119.05038	8.2
123.00896	1.8
124.37051	1.0
133.02904	1.1
136.98921	1.5
137.02467	1.0
139.00397	13.5
141.84009	1.0
148.38460	0.9
151.00383	3.8
164.98283	3.2
165.99019	1.0
166.99866	3.6
169.06561	1.2
171.04555	1.2
185.06093	1.7
191.84747	1.2
195.04498	1.3
213.05595	3.2
217.05035	1.2
223.03975	3.2
226.06120	1.0
232.17087	1.2
239.03482	2.5
259.56567	1.0
268.03806	8.3
270.04459	3.4
283.06119	2.3
285.04074	100.0
286.04361	8.6
364.99716	20.7
366.00043	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01222	0.3
65.00332	0.4
67.01894	1.2
68.89500	0.3
69.16158	0.9
69.16563	1.6
78.91906	0.4
95.01390	0.5
97.06777	0.4
111.00887	0.6
117.03455	1.2
119.05029	0.5
122.68974	0.3
133.02837	0.4
135.04547	0.5
139.00354	0.8
139.04546	0.5
143.05049	1.1
145.02928	2.5
166.99861	0.8
169.06549	1.0
171.04549	2.2
185.06044	2.3
187.04005	4.6
188.04408	0.7
189.05573	0.6
190.99919	0.6
192.00630	0.6
195.04543	0.6
197.06094	1.2
199.03992	0.8
211.03992	1.2
213.05568	7.1
215.03488	1.4
217.05066	0.7
229.05025	2.5
239.03453	0.8
240.04269	0.9
241.05057	3.4
243.79842	0.4
255.02997	0.5
257.04565	1.8
283.02567	0.5
285.04065	100.0
286.04388	10.3
303.19568	0.5
321.20718	3.5
364.99719	23.4
365.19803	5.3
366.00122	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	364.9973
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
57.03447	0.5
59.01368	1.4
61.98838	0.4
63.02401	0.9
65.00329	5.9
69.42052	0.3
71.01362	1.0
71.05034	0.3
72.49011	0.3
72.99315	0.5
73.02946	0.4
79.95734	0.7
80.96497	0.6
83.01394	2.4
83.05026	0.7
85.02950	1.1
87.00889	0.6
93.03474	0.6
95.01360	0.7
96.96017	0.8
97.02938	0.3
99.00896	0.5
107.01404	9.6
107.05065	0.4
109.02979	0.6
109.06626	0.4
110.00121	0.4
111.00907	2.1
113.02452	1.0
119.05027	1.3
121.06657	0.3
123.00928	0.7
123.08137	0.3
125.02448	0.7
131.05063	0.3
133.02962	1.3
133.03955	0.3
135.04518	0.7
135.08168	0.4
136.98749	0.6
139.00401	2.7
139.07658	0.3
143.05032	0.4
145.06474	0.4
147.04564	0.4
149.02429	0.4
151.00385	26.3
152.00676	1.3
161.02397	0.6
163.00394	0.5
164.98289	0.6
165.01926	0.9
165.98955	0.3
166.99942	0.7
167.05034	0.4
169.01445	0.4
169.06569	0.3
171.04515	1.0
173.02423	0.3
173.06065	1.1
175.04004	2.1
177.01965	1.2
185.06059	0.5
188.16942	0.3
189.12738	0.3
195.04561	0.7
197.06049	0.6
198.03210	0.7
199.03979	2.1
201.01871	1.1
213.05536	0.9
215.03493	0.4
215.14389	0.3
217.05078	2.0
217.08583	0.3
219.13722	0.3
223.04048	0.8
233.11781	0.4
233.15633	0.7
239.03514	0.6
241.05121	2.5
243.03085	0.9
247.99503	0.3
259.13394	0.4
259.16983	0.3
267.02948	0.6
268.03735	2.1
269.04150	0.4
270.04404	1.0
277.14606	0.5
277.18005	0.9
283.02466	4.4
283.06116	3.1
284.03168	0.5
285.04065	100.0
286.04410	10.1
286.07593	0.4
303.12515	0.4
321.09915	0.5
321.13416	0.8
321.17065	1.0
321.20703	0.3
364.99728	10.4
365.07050	0.9
365.12100	1.9
365.16263	3.5
365.20093	0.4
366.00125	1.2
366.06757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	1.3
67.01904	0.4
69.22797	0.8
69.23196	1.7
79.95734	0.5
85.60919	0.5
87.40497	0.4
93.03463	0.5
95.01395	1.8
96.99336	0.4
107.01397	0.8
110.00134	0.5
111.00896	11.9
112.01206	0.4
117.03490	0.8
119.05048	6.9
121.02935	0.4
123.00919	2.6
125.02453	1.4
131.05081	0.5
133.02994	1.0
136.98836	1.9
137.02414	0.9
139.00394	15.6
140.00771	0.7
143.05032	1.3
145.06615	0.7
151.00381	4.0
157.06572	0.4
158.03745	0.9
159.04442	0.5
161.02470	1.0
164.98306	1.9
165.01982	1.3
165.99136	0.5
166.99869	5.6
167.05017	0.7
169.06569	1.2
171.04553	0.9
173.06145	0.8
178.99902	0.7
185.06071	1.0
189.12749	0.4
190.99837	0.6
192.00716	1.1
195.04517	1.0
197.06114	0.6
199.03915	0.9
202.02721	6.8
211.04028	0.4
213.05589	1.5
217.05171	0.8
223.04034	2.6
224.04303	0.5
225.01889	0.9
239.03580	1.0
241.05188	0.5
242.02074	0.9
243.02888	0.6
267.02908	0.6
283.02386	0.7
285.04071	100.0
286.04391	10.5
364.99747	22.4
365.08759	2.4
365.12506	0.6
366.00153	2.1
366.08826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19272	0.3
56.52012	0.3
59.01383	0.5
61.98839	2.1
65.00319	0.7
67.01879	0.9
69.06940	0.6
69.07356	1.5
79.95738	0.5
91.38721	0.3
93.03495	0.4
95.01389	0.8
111.00941	0.4
114.37691	0.3
117.03457	1.4
119.05042	1.0
125.03490	0.3
125.78169	0.3
133.03021	0.3
135.04535	0.4
139.00388	0.7
143.05013	0.8
145.02983	2.1
152.99527	0.4
157.06580	0.6
159.04477	0.4
163.00383	0.5
165.01894	0.4
167.04977	0.5
169.06563	0.9
171.04489	1.7
185.06073	2.8
187.04036	4.4
189.05560	0.4
190.99974	0.4
192.00679	0.9
197.06068	1.0
199.04019	0.9
201.05603	0.5
211.04007	0.9
213.05583	7.8
214.05925	0.6
215.03497	1.9
217.05000	0.8
229.05043	2.6
229.76807	0.3
239.03563	1.0
240.04309	0.5
241.05087	3.2
255.03038	0.7
257.04645	1.7
283.02347	0.8
285.04071	100.0
286.04410	9.2
290.68024	0.3
314.02518	0.3
321.20609	0.7
364.99738	19.5
365.19714	1.7
366.00101	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	364.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
65.00314	0.5
67.01880	0.7
70.58305	0.2
79.95740	0.8
93.03455	0.4
95.01400	0.8
98.21922	0.6
111.00877	0.3
117.03495	1.0
119.05044	0.6
123.00918	0.4
124.79694	0.2
136.01599	0.2
136.98788	0.5
139.00356	0.8
143.05048	1.2
145.02971	1.8
145.06581	0.3
156.05775	0.2
157.06551	0.6
162.63214	0.2
163.00386	0.4
164.01115	0.3
166.99831	0.4
167.04999	0.6
169.06578	0.9
171.04504	1.5
185.06070	2.5
187.04010	4.7
188.04330	0.3
189.05554	0.8
189.36031	0.2
190.99875	0.5
192.00632	0.9
195.04590	0.3
197.06129	1.1
199.04010	0.5
201.05559	0.3
211.04056	0.9
213.03546	0.4
213.05594	7.5
214.05931	0.5
215.03505	1.7
217.05058	0.4
223.04134	0.4
229.05002	2.1
239.03551	1.2
240.04317	0.7
241.05048	3.2
242.05582	0.2
243.02985	0.4
255.02974	0.4
256.03748	0.5
257.04626	1.5
267.02979	0.4
283.02460	0.7
285.04065	100.0
286.04416	9.1
303.19662	0.6
321.20694	1.6
364.99734	21.8
365.19690	2.4
366.00000	2.8
366.19934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9975
Annotation	Luteolin 3'-sulfate
Peak:m/z	Relative Intensity
54.38333	0.7
54.42978	0.7
63.02412	1.4
65.00337	4.8
66.91690	0.8
80.23485	0.7
80.96523	6.0
83.01392	2.6
95.01421	2.0
107.01408	7.9
109.41064	0.8
111.00876	0.9
114.05506	1.0
119.05007	0.9
125.02464	1.5
133.02975	3.2
135.00873	1.2
136.98843	0.9
151.00397	16.7
152.89561	0.8
161.02443	1.4
169.06654	1.1
171.04584	1.5
173.02454	1.1
173.06073	0.8
174.35857	0.8
175.04025	3.7
177.01929	5.3
189.01936	1.9
195.04509	2.4
197.06097	2.1
198.03323	1.9
199.04063	6.7
201.01958	2.1
211.04100	1.4
213.05591	1.3
215.03584	0.8
217.05019	1.8
223.04015	1.9
239.03481	2.0
241.05049	6.1
243.02988	2.3
256.03760	0.8
257.04575	1.6
267.02982	2.9
283.02527	12.6
284.03079	2.4
285.04074	100.0
286.04395	9.1
364.99738	68.5
366.00085	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	364.9974
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
65.00332	1.2
67.01891	0.3
68.99822	0.4
69.86289	1.0
75.08863	0.3
83.01401	0.6
95.01387	2.1
96.99347	0.4
98.22491	0.5
107.01408	0.8
110.00063	0.8
111.00898	12.2
112.01201	0.4
117.03497	0.9
119.05042	7.9
123.00916	1.8
124.62515	0.3
125.02457	1.9
133.02989	0.9
136.98784	2.3
137.02478	0.7
139.00395	14.9
140.00705	0.7
143.05013	0.7
149.37527	0.3
151.00394	4.5
156.98044	0.3
161.02467	1.0
163.00470	0.5
164.98320	2.1
165.01926	1.0
165.99118	0.7
166.99858	5.5
167.05049	0.7
169.06691	1.5
171.04459	1.0
173.06119	0.7
178.99854	0.7
179.05051	1.0
185.06093	1.6
189.05547	0.5
190.99908	0.7
192.00592	1.2
195.04549	1.0
197.06145	0.6
197.80669	0.3
199.04008	0.5
211.03998	0.4
212.04109	0.3
213.05637	1.5
217.05072	1.3
223.04008	3.1
223.94191	0.3
224.04242	0.5
225.01817	1.4
239.03531	1.5
241.05127	0.5
242.02312	0.7
243.02975	0.6
257.04630	0.3
267.02972	0.7
283.02579	0.5
284.03351	0.5
285.04068	100.0
286.04425	9.6
344.50644	0.3
359.77420	0.3
364.99731	14.8
366.00159	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	364.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99623	0.4
57.95314	0.4
58.80153	0.4
63.84590	0.4
69.79063	1.4
69.79404	0.4
79.95708	0.6
81.95322	0.9
83.01385	1.0
83.91947	0.4
93.03477	0.5
95.01392	1.1
99.00934	0.5
107.01410	0.6
110.00144	0.5
111.00897	8.7
117.03500	1.3
119.05051	4.9
123.00886	2.6
125.02456	1.6
133.02972	0.7
136.98849	0.5
137.02452	1.0
139.00392	11.2
143.05069	0.9
151.00394	2.2
161.02461	1.6
163.00383	0.9
164.98259	1.2
165.01845	0.9
166.99881	5.4
167.05057	0.9
169.06589	1.4
171.04570	1.2
173.06129	0.8
178.99902	0.6
179.05215	0.4
185.06093	1.5
189.05840	0.6
192.00635	0.7
195.04515	1.2
198.03242	0.5
199.03993	1.0
200.25058	0.4
211.03995	1.2
213.05597	1.2
217.05138	1.3
220.81645	0.4
223.04007	2.0
225.01945	0.9
239.03488	1.1
243.03055	1.0
267.03052	1.2
268.03809	3.4
269.04083	0.6
270.04449	1.5
283.06104	1.4
285.04071	100.0
286.04443	10.6
364.99466	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	364.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10476	0.3
52.01237	0.3
52.18478	0.3
55.90652	0.3
58.09432	0.3
58.29503	0.3
61.25072	0.3
67.01889	1.1
69.46021	1.3
88.28696	0.4
95.01383	0.5
98.22665	0.5
116.41049	0.3
117.03481	0.7
118.91589	0.4
119.05031	0.5
123.00932	0.4
136.98872	0.4
139.00369	0.7
143.05042	0.9
145.02945	1.8
157.06609	0.4
167.05031	0.5
169.06577	0.7
171.04515	2.3
184.02887	0.3
185.06070	2.8
187.04019	4.1
189.05566	0.7
190.99860	0.5
192.00627	1.0
197.06134	1.0
199.04002	0.9
201.05481	0.4
211.03938	0.6
213.05573	6.8
214.05922	0.6
215.03555	1.2
217.05043	0.5
219.73170	0.3
229.05028	2.6
239.03506	0.9
240.04216	0.6
241.05083	3.3
255.03209	0.4
256.03653	0.4
257.04572	1.3
267.03171	0.4
283.02484	0.9
285.04065	100.0
286.04419	8.3
321.20718	0.4
323.26364	0.3
364.99741	21.3
365.19604	0.5
366.00024	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	364.9975
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
55.52868	0.3
59.01360	0.7
65.00324	1.5
66.23991	0.3
67.01893	0.4
68.99850	0.3
69.68370	1.2
69.68726	0.4
76.90784	0.3
82.24590	0.3
83.01380	0.6
86.43335	0.3
86.77976	0.3
95.01379	1.4
107.01392	0.6
110.00079	0.7
111.00169	0.6
111.00892	11.4
112.03587	0.3
112.60202	0.4
117.03461	1.1
119.05038	6.2
123.00920	1.8
125.02444	1.3
133.02950	0.5
136.98801	2.6
137.02458	0.8
138.99316	0.8
139.00389	15.4
143.05017	1.0
151.00381	4.2
161.02451	1.2
163.00557	0.3
164.98318	2.1
165.01926	0.9
165.99048	0.6
166.99884	4.7
167.04991	0.5
169.01575	0.5
169.06624	0.7
171.04561	0.9
173.06046	0.3
178.99893	0.6
185.06093	0.8
190.99905	0.5
192.00690	0.9
195.04526	1.0
197.06073	0.5
199.03990	0.7
211.03969	0.7
213.05571	1.1
217.04979	0.5
223.03990	2.5
225.01973	1.2
239.03552	1.3
242.02138	0.5
243.02940	0.5
257.04251	0.4
267.02902	0.8
283.02463	1.2
285.04065	100.0
286.04391	9.2
308.23239	0.4
364.99722	25.4
366.00162	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	364.9975
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
59.01395	0.3
63.59220	0.2
65.00321	1.4
67.01880	0.3
79.01884	0.2
83.01397	0.5
93.03448	0.4
95.01390	2.0
96.99311	0.3
107.01384	0.7
110.00082	0.4
111.00890	11.7
112.01231	0.3
117.03484	0.9
119.05032	6.9
121.02961	0.4
123.00909	2.5
123.55356	0.2
125.02448	1.1
133.02980	0.8
136.98813	1.9
137.02449	1.0
139.00385	14.0
140.00749	0.2
141.07118	0.3
143.05037	0.9
151.00392	4.5
157.06580	0.3
159.04489	0.3
161.02466	1.1
161.06052	0.4
163.00415	0.4
164.98323	1.6
165.01936	0.9
166.99875	5.1
167.05022	0.7
169.06570	1.3
170.07062	0.3
171.04517	0.9
173.06099	0.9
177.01776	0.2
178.99893	0.5
179.05038	0.5
183.04442	0.3
185.06085	1.4
190.99892	0.5
192.00655	1.1
195.04553	1.1
197.02573	0.2
197.06134	0.5
198.03189	0.6
199.04001	1.1
211.04016	0.8
213.05562	1.9
217.05020	0.8
223.04034	2.8
224.04497	0.3
225.01921	1.1
227.55687	0.2
239.03508	1.7
240.04039	0.4
241.05092	0.8
242.02147	0.7
243.02953	0.7
257.04645	0.5
262.12796	0.2
267.03003	1.5
283.02509	0.6
284.03122	0.3
285.04059	100.0
286.04404	8.7
364.99716	19.8
365.15985	0.5
365.99985	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58191	0.4
53.37798	0.4
54.94171	0.4
64.88934	0.5
65.00021	0.7
65.00330	7.9
65.24247	0.4
65.48653	0.4
65.85081	0.4
66.00659	0.8
68.99833	0.6
69.43853	1.0
69.44253	1.4
89.00341	1.7
91.01904	1.6
94.00599	2.3
97.02962	6.1
98.03247	0.7
111.00903	0.6
117.03482	0.9
118.21653	0.4
121.02975	3.4
122.00102	2.8
149.99600	2.9
152.00070	0.6
165.01947	31.7
166.02283	5.9
167.02423	5.8
196.05351	1.7
229.77744	0.4
239.03525	1.0
240.04292	4.6
241.04668	1.1
242.04823	1.5
260.88162	0.5
267.02945	2.8
268.03778	13.2
269.03680	2.5
270.04337	5.6
283.06140	100.0
284.06470	14.0
285.04050	3.8
285.06726	48.0
286.06958	3.5
354.15466	0.6
365.01807	9.2
365.97205	0.9
366.01938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06559	0.6
58.63334	0.6
59.01384	93.1
60.01715	1.5
61.98843	1.7
68.51802	0.6
69.13960	3.7
71.01388	3.3
72.99328	1.1
75.00897	1.2
78.41091	0.6
78.95452	0.7
78.95911	12.0
78.96342	0.9
85.02953	0.7
87.00874	0.9
89.02461	1.2
91.87386	0.6
95.22114	0.6
97.02953	0.7
101.02482	2.4
108.02183	0.7
109.02958	0.6
111.00898	1.4
113.02472	1.2
118.96951	1.6
123.04481	1.3
135.03027	1.1
139.00243	0.7
141.00740	0.8
141.01706	4.7
145.90910	0.6
151.00360	0.7
152.01154	1.0
157.03587	5.7
159.01508	3.3
159.04495	0.7
167.03525	2.3
174.35205	0.6
176.94147	1.0
197.04494	0.8
200.95607	9.4
201.02567	100.0
202.02710	9.8
207.05138	1.7
215.07161	1.3
233.11688	0.7
282.95874	6.7
283.02798	4.5
284.02811	0.6
285.03995	4.7
300.95554	1.5
305.01862	1.1
321.06049	1.0
364.99606	0.8
365.04623	1.1
365.08905	1.0
366.13681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04366	1.2
59.01390	18.6
61.98837	100.0
69.07482	7.8
71.01382	2.9
83.16784	1.4
85.02981	2.1
89.02436	2.4
98.21873	2.5
101.02467	2.9
116.92780	1.8
117.03448	3.1
135.04517	1.4
185.11945	1.8
365.17285	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	365.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39889	0.8
65.99848	2.7
68.99797	1.2
69.27165	4.7
72.11853	0.9
78.29687	1.0
85.02962	9.4
96.12061	0.9
110.00092	3.8
111.00915	1.3
119.01392	1.0
119.05126	1.1
119.05928	0.9
134.02477	1.2
137.02452	1.1
137.99661	1.8
139.00366	1.4
139.05453	1.4
163.00401	15.4
165.99020	2.3
171.04460	2.3
175.99956	2.7
184.05260	3.2
193.01367	1.3
195.04590	1.4
196.05315	1.6
198.03281	2.5
211.04013	2.5
223.03987	1.4
224.04840	1.3
239.03484	2.8
240.04085	1.3
242.08269	4.1
267.02997	2.9
268.03784	100.0
269.04123	8.5
270.07742	8.7
274.01239	1.7
280.06165	7.5
283.06152	70.8
284.06473	6.6
285.04053	16.0
350.02710	1.1
364.99771	1.7
365.06525	3.7
365.16757	1.5
366.05569	1.6
366.09863	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87342	5.1
59.01384	31.1
61.98822	13.1
71.01393	7.0
71.40118	5.4
72.68893	6.1
72.99313	5.4
89.02442	7.3
96.95984	5.1
101.02403	6.1
108.02196	33.6
109.78400	5.2
123.04510	18.6
142.49179	5.7
152.01222	27.6
162.36038	5.3
167.03519	100.0
172.84355	6.1
202.07684	4.8
240.05630	5.4
329.08731	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	365.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54989	3.3
59.01398	15.8
59.73434	3.0
61.98839	7.4
71.01386	6.6
72.99310	9.5
85.03004	4.3
91.01962	2.9
96.95988	5.2
101.02435	5.2
108.02177	29.9
119.05018	5.4
123.04527	18.7
124.22784	3.7
143.06140	3.3
146.20996	2.9
152.01180	36.6
160.04117	4.2
167.03503	100.0
168.03918	5.0
168.47426	3.8
173.06029	3.1
182.38593	4.0
187.07703	4.1
189.09203	4.2
209.04529	4.6
285.04047	15.4
305.01910	13.2
329.08908	12.6
364.99628	4.2
365.04990	8.6
365.08813	6.6
365.12857	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	365.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41359	0.4
51.57118	0.4
53.60306	0.4
57.03450	1.8
58.52459	0.4
59.01384	7.7
62.14439	0.4
65.00315	0.5
71.01366	1.3
73.02953	0.5
75.90028	0.4
79.05553	0.5
79.70542	0.4
80.52677	0.5
81.03457	2.7
83.01393	2.0
85.02949	0.6
89.02446	0.7
95.05008	0.8
99.04507	0.8
101.02451	1.6
107.01383	0.8
109.02991	0.6
113.02460	0.8
117.03490	0.9
119.05095	0.4
123.04538	19.4
124.04870	0.7
125.02464	4.9
134.66931	0.5
135.04538	0.7
138.05594	0.4
149.02495	0.6
151.00403	1.0
156.21260	0.5
160.84221	0.5
167.03510	100.0
168.03883	5.4
172.10031	0.5
175.05130	0.5
191.03543	0.9
203.04712	0.5
206.92047	1.5
209.04567	1.0
209.18883	0.5
288.99963	0.5
312.11349	0.6
317.00174	0.6
329.08801	11.0
330.09039	0.8
365.07916	0.9
365.17630	1.8
375.62497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	7.4
59.01387	82.4
60.74309	5.5
61.98766	4.1
70.79734	5.8
71.01385	23.7
72.65633	4.7
73.02937	5.3
85.02956	5.6
89.02475	15.7
93.04603	5.2
101.02453	14.8
109.02934	4.9
113.02422	7.2
123.04559	11.8
130.06279	4.8
142.38945	4.8
143.81348	4.4
146.05455	4.3
151.00383	10.0
152.01196	8.0
166.02750	12.7
167.03508	53.5
176.96643	5.1
181.05135	8.5
194.02354	7.8
209.04565	100.0
239.05556	14.4
269.06665	29.1
271.98285	4.0
278.66882	4.8
329.08859	18.9
330.09259	4.8
365.14832	5.9
365.19586	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40619	0.6
59.01377	1.9
61.98828	0.9
69.35417	3.3
80.24248	0.7
86.97007	0.7
90.46300	0.6
96.96025	9.4
98.95603	1.6
98.96455	0.6
99.65022	0.6
99.92582	4.2
100.93372	22.7
101.93382	1.0
112.90000	0.7
115.92094	33.6
116.92871	100.0
117.92875	5.8
124.26031	0.7
126.25288	0.6
180.89061	47.1
181.88983	3.2
202.15553	0.6
265.14810	9.2
285.11649	4.1
297.15289	2.3
329.15073	0.7
333.88211	0.8
365.07288	4.0
365.11734	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	365.0881
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
52.01973	0.3
53.07910	0.3
59.01124	0.3
59.01389	3.2
71.01375	1.0
73.02931	0.9
85.02928	0.5
89.02457	0.4
93.03465	0.3
101.02442	0.5
117.03487	0.7
133.06902	0.6
133.34361	0.3
137.02458	0.3
145.02829	0.4
147.04533	0.6
157.03008	0.4
157.44188	0.3
158.03748	14.8
159.04543	7.1
160.04881	0.5
171.04536	2.2
173.02380	0.3
173.06041	0.6
184.05298	0.5
185.06001	0.4
186.06560	0.3
201.01923	1.0
201.05583	3.0
202.02734	100.0
203.03194	8.7
213.05557	2.9
215.03218	0.3
227.03564	0.8
231.06573	1.0
245.04640	1.4
269.04636	0.8
275.05634	1.8
365.08789	42.2
365.74902	0.4
366.09158	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	365.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	22.0
68.02545	100.0
69.98791	42.5
73.20454	11.9
74.07951	14.8
96.96033	25.3
98.22639	13.3
99.08167	30.8
157.71039	12.6
214.83620	12.7
281.12244	14.2
325.35754	13.8
327.21780	15.4
365.10324	47.1
374.99292	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57159	1.0
55.01863	2.4
57.03450	2.0
59.01386	71.9
69.54894	3.5
71.01388	18.3
72.99308	0.8
73.02946	7.7
83.01399	5.4
85.02962	10.2
86.00102	1.1
87.00886	2.9
89.02444	4.2
97.02977	0.9
99.00922	2.4
101.01806	1.6
101.02454	19.9
111.00891	1.4
113.02465	7.9
119.03522	0.9
125.02480	1.3
157.12381	1.6
159.03023	1.2
161.04593	5.2
181.03029	0.8
185.11829	2.5
203.12881	7.8
209.16414	0.8
219.58751	0.8
257.51346	0.8
305.16104	2.7
336.14481	1.0
343.06525	0.9
347.17160	16.8
348.17245	0.8
365.18179	100.0
366.18732	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	365.1973
Annotation	Sinulariolone
Peak:m/z	Relative Intensity
55.75867	0.4
57.03465	0.8
58.19183	0.5
59.01380	1.7
69.03466	6.4
69.82224	1.9
71.05013	1.0
71.34702	0.5
73.02941	0.6
82.76509	0.5
84.58456	0.5
85.02964	1.4
97.02952	5.7
98.03765	0.6
99.04523	1.2
111.08175	1.7
117.03488	0.6
123.80421	0.5
125.75112	0.5
133.03001	0.5
133.06700	0.9
153.09225	1.4
155.08702	1.3
169.10275	0.5
171.11836	1.0
177.12798	1.6
182.64444	0.5
187.04063	0.9
189.12881	2.3
191.14473	0.9
193.16060	1.4
208.07010	0.5
213.05533	1.1
215.03505	0.6
225.16507	0.6
231.17531	0.9
233.15436	0.6
241.04970	0.6
244.88506	0.5
245.19078	1.4
247.20709	4.6
247.78168	0.5
259.20691	0.9
275.20279	0.7
277.21634	0.6
285.04086	16.0
286.04233	1.0
287.16547	3.3
291.19751	2.7
301.18149	2.1
303.19669	19.8
304.19916	2.4
321.20740	53.3
322.21021	5.8
339.21942	0.6
364.99875	2.5
365.07498	1.7
365.19702	100.0
366.20044	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1973
Annotation	Sinulariolone
Peak:m/z	Relative Intensity
51.82763	1.4
56.86832	1.3
57.03461	2.1
58.00602	4.2
59.01372	3.9
69.03448	2.6
69.29029	7.7
78.38522	1.3
78.95905	6.7
85.02982	2.2
87.04538	8.3
95.47523	1.3
96.96027	2.0
98.21903	2.9
110.94132	1.8
111.00864	1.7
117.03517	3.1
119.05042	4.2
135.04514	1.5
186.10475	3.5
187.04103	1.8
189.12874	13.2
191.14439	1.5
201.12878	17.1
202.13364	1.5
203.14417	2.5
205.84164	1.5
213.05472	2.1
219.13910	48.5
220.14188	3.9
232.78477	1.5
245.08528	1.5
245.19086	3.5
268.03830	3.4
277.21790	5.4
285.04095	28.2
286.04404	3.4
303.19492	1.8
321.20724	95.7
322.20978	9.5
347.19009	1.7
365.00046	3.5
365.19733	100.0
366.20010	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	365.2698
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.03459	0.5
56.62541	0.5
71.04327	0.7
85.06593	3.2
95.47803	0.5
102.37464	0.6
106.52922	0.6
151.97427	0.6
166.57024	0.6
168.80713	0.5
198.03844	0.6
199.13458	2.1
205.33232	0.6
232.88824	0.6
261.18649	1.3
279.19666	18.1
280.20029	1.7
337.69360	0.7
347.25906	6.3
348.26315	0.9
363.25272	0.7
365.26965	100.0
366.22568	1.2
366.27271	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	365.2699
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01873	0.4
57.15764	0.4
60.57566	0.4
70.53799	1.0
71.05019	0.5
74.04404	0.4
80.15113	0.3
83.05059	0.6
97.06601	0.4
121.98568	0.4
153.12843	0.6
155.14424	0.9
163.11255	2.2
165.12875	2.7
181.12389	1.9
199.13405	32.7
200.13771	1.6
325.18314	1.0
347.25870	4.4
348.26041	0.5
365.26965	100.0
366.27298	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	365.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19808	9.7
59.01392	11.1
63.60862	8.7
69.64742	31.8
86.74822	9.0
144.09207	11.2
151.85539	9.1
171.32753	9.8
199.13329	11.0
244.68979	10.5
285.03955	46.5
325.18301	20.6
347.26019	24.6
365.27029	100.0
366.27118	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	366.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.4
61.98836	100.0
65.00312	1.2
74.57313	0.8
109.24456	0.8
109.88539	0.7
111.00886	1.6
123.00949	1.2
135.03493	1.2
135.04533	21.5
139.00412	5.3
141.60741	0.8
153.01942	4.5
166.99858	16.8
168.00124	1.1
174.58719	0.8
181.01433	3.4
189.72813	1.0
207.04912	0.7
285.04095	1.5
286.04352	2.2
303.05130	23.5
304.05441	2.4
365.99985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0621
Annotation	Ekatetron
Peak:m/z	Relative Intensity
63.01138	1.3
65.00333	1.8
65.99856	10.6
67.79967	0.5
68.99812	0.9
70.34062	1.1
76.88662	0.6
82.03011	0.5
85.02946	1.1
89.00338	1.5
89.99852	0.6
91.00614	0.8
91.29343	0.5
94.96496	0.5
95.01393	0.6
96.99295	0.8
99.92591	0.6
103.00613	0.7
110.02477	1.1
119.00140	16.6
122.02472	1.0
122.99670	0.8
131.00105	0.8
134.02467	1.6
134.99573	0.5
135.00835	0.9
136.98805	0.6
137.02448	0.7
138.01978	0.9
143.04973	0.5
146.02493	4.1
146.99643	2.5
147.00832	0.9
150.01987	2.8
162.02013	1.7
162.99126	0.8
163.00372	5.7
164.03656	0.6
166.01456	1.6
171.04495	2.5
174.01997	1.1
174.99113	18.8
175.00626	1.0
175.99759	1.8
176.01230	1.1
178.01439	0.9
178.63120	0.6
190.01479	10.8
191.00038	2.5
191.01741	0.6
192.03102	0.7
193.00020	0.6
199.40175	0.5
202.01488	0.6
206.00861	0.6
209.04843	1.5
218.00975	5.0
218.97902	2.6
222.05603	1.4
234.00461	40.3
235.00841	2.3
236.03705	1.2
239.03612	0.8
242.08311	2.7
250.05222	2.2
260.02072	0.7
261.99948	53.4
263.00266	2.9
267.03265	1.3
267.06631	9.6
269.04169	0.5
270.07733	7.2
271.08319	0.5
278.04742	1.8
280.06247	2.6
282.07782	3.3
285.03958	0.6
286.04385	2.0
294.07867	2.5
295.06116	20.4
296.05701	5.8
306.04333	0.7
310.07333	1.5
322.07486	1.5
323.05576	2.9
324.05203	2.2
334.03522	1.1
337.06802	0.9
338.06769	7.4
366.06207	100.0
367.06479	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	366.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03126	1.4
64.01922	2.5
65.00311	1.5
65.99859	20.5
72.32361	1.4
76.27873	1.4
83.13624	1.3
85.02956	4.0
108.00948	2.2
110.02470	3.3
118.02986	2.6
119.00130	2.8
120.00946	2.8
122.02508	3.4
123.03288	6.4
131.01309	1.7
133.01704	2.1
134.02490	6.8
135.03284	5.4
136.00415	4.9
146.02484	11.2
147.03262	2.1
151.02759	5.9
162.01964	7.0
163.00447	2.4
163.14764	1.5
163.99922	3.1
164.03592	3.2
166.01422	2.4
171.04500	7.6
175.02731	2.6
175.99889	15.5
185.51259	1.4
190.01454	15.9
191.99435	2.5
192.03020	2.6
203.02226	5.4
210.05696	1.6
218.00934	2.7
224.07137	2.3
226.05360	1.5
228.06754	2.1
234.00488	3.0
237.05807	2.1
238.05138	2.3
242.08250	43.7
243.08446	2.7
252.06693	12.1
261.99945	6.8
266.08200	7.3
267.06543	2.8
268.06277	5.6
270.07727	100.0
271.08017	6.8
279.06610	2.7
280.06168	54.8
281.06494	4.4
282.07764	1.5
284.24585	1.4
285.04163	1.9
286.04382	2.9
292.06436	1.8
294.07736	78.6
295.07974	6.3
296.05634	26.5
296.08707	2.5
297.05942	2.4
320.05627	3.9
322.07172	7.7
323.05527	3.4
338.06757	14.9
348.04901	1.6
348.47559	1.7
366.06171	84.3
366.09805	5.9
366.13809	3.1
367.06354	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	366.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00340	0.5
51.43722	0.3
63.01131	1.3
65.00305	0.6
65.99852	8.7
68.99809	0.3
69.12167	1.5
74.00359	0.3
76.92053	0.3
87.01152	0.4
89.00330	1.8
89.99839	0.8
99.00916	0.5
103.00645	0.9
105.99371	0.3
110.02464	0.3
118.03046	0.3
119.00145	16.3
120.00987	0.4
122.02523	1.5
122.99598	0.4
123.00889	0.7
131.00130	0.5
134.02531	1.5
134.99606	0.6
146.01443	0.3
146.02499	4.3
146.99666	2.9
147.02831	0.4
150.01978	1.7
162.02028	1.4
166.01439	1.8
171.04509	0.8
174.01968	0.4
174.99120	17.9
175.99771	1.3
176.70157	0.3
178.01488	0.8
190.01480	9.9
190.98686	0.5
191.01811	0.5
193.00230	0.6
194.01050	0.3
194.06094	0.4
195.04564	0.4
210.13301	0.3
218.00963	6.0
218.98105	3.1
222.05632	0.6
224.91983	0.3
229.69440	0.3
234.00455	33.0
235.00903	1.7
242.08249	0.5
250.05116	4.4
251.05804	0.4
261.99948	100.0
263.00235	6.2
270.07816	0.4
278.04532	1.8
286.04425	0.5
296.05676	1.2
309.06686	0.3
334.03595	4.6
335.03970	0.5
338.06720	2.4
366.06207	63.1
367.06415	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	366.0621
Annotation	Ekatetron
Peak:m/z	Relative Intensity
55.58327	0.9
56.41219	0.9
64.96581	1.0
65.99851	15.3
68.99826	1.7
69.93175	1.9
69.93497	1.7
76.01913	1.4
88.12824	1.0
97.80061	1.0
98.21819	1.3
103.47683	1.0
119.00152	9.5
120.00947	3.8
122.02581	1.1
133.01654	1.1
135.04524	0.9
146.02470	2.0
146.99651	3.0
171.04495	7.1
174.99110	7.3
175.99863	3.4
187.99957	1.6
190.01468	4.1
190.06645	0.9
194.06142	1.0
195.04520	1.7
210.53575	1.0
218.00969	1.1
218.98164	1.7
222.05623	3.6
223.04025	1.8
234.00436	19.0
235.00705	1.5
242.23235	0.9
247.01221	2.2
250.05116	31.6
251.05557	3.1
261.99905	11.7
263.00281	1.2
278.04630	14.1
294.07999	1.4
334.03568	36.0
334.37170	0.9
335.03882	4.1
338.06702	16.8
338.14035	2.0
339.07007	2.1
351.10208	1.0
366.06192	100.0
366.26276	1.5
367.06583	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	366.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92085	1.1
67.39503	1.0
69.54823	3.2
69.55215	2.6
77.97731	1.1
78.03493	7.7
80.29686	1.2
110.02482	4.3
111.02087	1.3
116.70295	1.0
122.02492	100.0
123.02845	2.3
164.05885	1.3
200.05611	2.9
243.06183	12.6
310.04739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54582	0.5
55.01881	0.6
59.01387	35.0
69.38598	1.9
69.39003	1.2
71.01392	10.1
72.99306	2.0
73.02954	1.4
75.00877	4.5
78.91904	1.2
78.95908	0.8
83.01395	1.4
85.02976	2.7
87.00881	2.1
89.02444	7.6
95.01379	0.9
98.22626	1.2
99.00900	1.1
101.02460	5.3
113.02460	4.0
116.05081	9.9
117.05419	0.5
119.03532	2.4
119.05038	4.8
121.02993	1.5
127.02433	0.4
128.05064	1.9
129.50237	0.5
130.06635	2.3
135.04605	0.5
140.05074	0.8
142.06639	100.0
143.06990	5.2
144.04514	0.7
158.06136	12.9
159.06487	1.1
160.07639	0.6
161.04523	0.6
163.00368	2.1
163.04002	4.5
177.01947	3.4
183.44031	0.6
186.05621	45.4
187.05978	2.2
204.06680	29.5
205.01451	1.0
205.07008	1.7
208.87497	0.6
209.04637	0.7
218.08240	0.8
237.06030	0.9
246.07777	2.6
284.22131	0.6
298.09644	0.6
307.17715	1.0
366.11960	64.6
367.12256	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	366.1349
Annotation	Oxypalmatine
Peak:m/z	Relative Intensity
59.01387	1.6
65.00330	3.3
68.99817	1.3
69.31750	4.5
69.32153	2.8
71.33752	1.1
116.05083	1.8
118.02965	2.6
120.04580	1.8
131.01395	1.5
134.02499	2.5
144.04581	2.5
146.02519	1.6
148.27785	1.4
151.00397	1.5
158.02507	3.5
158.06110	1.7
161.01236	1.8
164.01305	1.6
171.04538	3.1
175.00385	2.2
186.05627	1.5
188.01215	1.7
190.01529	2.2
197.12717	1.4
201.01988	4.2
202.01477	21.5
202.05093	2.1
215.02232	2.3
218.00990	1.5
228.02950	3.0
230.04561	5.5
237.05530	2.7
242.08173	2.6
246.12846	1.7
261.99878	8.9
263.07178	3.2
264.06671	11.2
267.03003	1.8
269.04059	1.7
270.07800	5.0
279.06613	4.6
280.06323	3.3
286.04581	2.5
292.09814	2.9
294.07663	2.9
305.08228	17.4
306.07761	76.5
307.08005	4.2
316.09790	2.6
332.09271	4.3
334.10876	100.0
335.11246	12.0
366.06573	11.1
366.13483	77.8
367.09238	2.2
367.13815	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	366.135
Annotation	(+)-Corycavine
Peak:m/z	Relative Intensity
54.77724	1.4
59.01363	2.3
65.00334	2.7
65.99850	2.9
71.41293	2.2
71.41698	1.8
90.29453	1.4
99.92568	1.6
116.05093	1.9
118.03021	3.8
131.01421	3.7
133.89470	1.5
134.02480	1.8
157.02896	1.8
158.02516	4.3
161.01247	1.7
163.00362	2.5
171.04553	5.0
174.99071	2.6
175.00424	3.7
201.01938	4.4
202.01462	24.8
202.05211	2.1
224.62236	1.7
228.02988	4.2
230.04680	3.6
234.00406	1.6
237.05591	3.8
242.08191	2.6
255.02931	1.7
255.06758	2.1
256.06241	2.1
261.99918	8.0
263.07181	4.5
264.06668	16.4
267.02905	2.6
267.06635	2.1
268.06213	1.6
270.07739	7.0
279.06555	6.1
280.06241	7.4
286.04401	4.7
291.06555	2.5
292.09821	2.2
294.07867	5.7
296.05771	2.8
305.08191	16.1
306.07736	90.4
307.08179	6.5
316.09872	3.5
332.09290	5.6
334.10867	98.1
335.05576	2.1
335.11169	12.6
338.13678	2.4
366.06665	14.2
366.13489	100.0
367.07358	1.5
367.09525	1.8
367.13824	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	366.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64869	0.6
59.01385	100.0
64.62711	0.6
68.02536	0.8
80.96554	0.8
96.96040	1.2
98.21868	2.2
114.20123	0.7
135.12813	0.7
223.08878	0.9
284.14240	1.5
367.18439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34467	0.7
55.02998	1.5
59.01387	100.0
60.01712	1.0
65.34837	0.9
67.64861	0.7
68.02547	15.6
69.09293	4.9
96.95997	0.8
98.22686	1.6
100.67307	0.7
117.03458	0.8
119.05096	0.7
134.71651	0.7
176.51369	0.7
177.18097	0.7
178.86356	0.8
182.84206	0.7
194.77026	0.9
205.13828	0.9
223.08928	13.8
224.69780	0.8
283.02615	1.5
313.16806	0.9
333.33694	0.9
366.10754	0.9
367.11664	1.7
367.18304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01712	6.3
61.98843	75.9
71.01395	29.5
73.01476	4.3
73.02942	12.9
77.68369	3.8
78.95891	6.5
83.01413	5.1
85.02959	10.0
89.02448	17.3
91.01926	4.6
94.39023	4.2
101.02451	18.7
101.03040	4.5
113.02488	14.7
119.05048	8.0
123.04518	7.9
131.38878	4.5
149.77188	4.6
161.02461	4.6
161.04568	19.6
162.04832	9.9
167.03517	29.4
171.41483	3.9
198.58409	4.9
272.44070	5.1
314.86536	5.2
331.10541	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	367.0825
Annotation	Artoindonesianin P
Peak:m/z	Relative Intensity
65.99854	0.6
68.99818	1.1
70.72434	0.9
89.89130	0.4
90.73861	0.4
91.01919	0.6
94.55308	0.4
103.01919	0.6
117.03458	0.4
119.00130	0.9
119.01437	1.2
120.00479	0.5
121.02972	0.7
131.01392	12.6
132.02216	0.5
133.03000	0.7
147.00890	10.3
148.01668	1.7
149.02461	0.6
159.00923	2.9
160.01678	1.0
161.02385	1.2
171.04506	5.1
173.99591	1.7
174.99132	0.5
175.00378	13.4
176.01161	2.5
188.01147	2.1
189.01912	1.0
191.08759	0.6
196.02562	0.7
201.99066	1.1
202.99876	25.6
204.00584	2.6
205.01289	0.5
207.08083	2.8
209.06174	0.6
216.00641	3.3
217.01324	0.7
219.08211	1.6
221.06078	0.7
223.07695	0.6
224.07944	0.5
230.99345	9.3
231.99866	0.7
234.00381	0.7
234.06961	0.7
235.00722	0.6
235.07654	3.3
237.05600	2.1
244.00148	1.3
247.07675	0.6
251.07185	5.4
261.05573	1.6
261.99969	1.8
262.06165	0.6
263.00299	2.2
263.07092	7.1
264.07404	0.7
265.05054	2.1
276.02838	0.8
279.06622	11.3
280.07190	2.8
281.08362	0.7
289.05087	1.2
290.05856	0.6
291.06662	7.4
292.06946	1.0
293.04523	4.2
294.05023	0.5
307.06140	17.7
307.09592	1.0
308.06683	2.8
312.09665	0.5
324.08868	1.6
325.07214	1.2
335.05634	11.0
336.06046	1.5
367.08234	100.0
368.08401	13.4
368.12570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
59.87906	0.4
69.17095	1.6
69.17506	0.7
71.50587	0.3
74.23750	0.4
78.95918	3.3
93.03461	5.6
96.09238	0.4
96.96014	5.2
98.32883	0.4
109.02962	7.5
109.06594	0.4
112.97515	0.4
116.54154	0.3
117.03452	1.0
119.05062	1.3
132.02193	1.4
133.02974	35.6
133.06580	1.3
134.03284	1.0
135.04529	3.7
135.95686	4.0
136.96445	0.4
137.06105	0.7
145.03026	0.5
148.01634	0.6
149.06145	0.7
159.04539	1.0
159.08176	0.4
160.01668	0.6
161.02443	1.4
161.06073	0.9
163.07594	0.5
165.05574	1.9
173.02475	0.5
174.03244	2.1
175.04039	1.4
175.07666	1.2
176.01170	0.8
177.05592	1.6
182.14677	0.4
185.06165	0.5
187.04045	1.2
188.04828	0.8
189.01974	0.8
189.05630	2.9
197.06097	0.5
201.01923	2.0
202.02724	3.2
203.03598	0.5
203.07126	2.0
204.00719	0.6
205.05080	1.6
213.05569	1.2
214.35484	0.4
215.03693	0.4
215.07158	1.4
216.04320	0.6
226.06555	0.5
229.04939	0.8
231.06660	4.0
233.04596	2.0
236.00943	1.7
237.01704	0.7
237.05498	0.8
238.06290	0.7
241.05162	1.1
249.05583	0.6
253.05035	0.5
263.07132	0.4
265.05087	0.9
266.05811	0.9
267.06732	0.4
277.05164	0.4
277.08847	0.4
278.05740	0.5
279.06702	1.8
281.04535	0.7
281.14334	1.2
282.05334	0.6
291.06570	0.6
292.03848	0.4
293.04797	0.7
293.07947	4.8
294.05338	1.2
295.02469	0.5
295.06015	1.1
295.09399	0.4
305.04614	0.5
305.08255	0.6
306.05341	0.4
309.04044	0.9
309.07660	0.4
310.04861	1.3
311.09311	0.8
321.07697	1.2
323.05594	4.0
323.09180	0.8
323.15268	2.0
324.06223	0.8
335.09317	1.4
336.10043	0.5
337.07117	0.6
338.04205	2.3
339.08752	1.6
349.07047	0.6
352.05719	0.5
352.09662	0.6
367.08224	100.0
368.08585	12.3
368.13168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0938
Annotation	Tetrahydromonorden
Peak:m/z	Relative Intensity
51.31224	0.8
64.01905	0.8
65.00328	2.0
65.99854	6.6
68.99821	1.0
69.57384	3.0
91.03021	1.9
92.01437	9.2
94.02990	4.5
98.22552	1.7
102.98581	1.4
104.01384	1.9
105.03464	1.0
108.04575	1.2
116.01439	1.8
117.00983	0.9
118.03004	0.8
119.04984	0.9
120.00907	3.3
122.02470	2.0
123.55653	0.9
125.02543	0.8
132.00919	5.9
135.02066	2.7
144.00894	0.9
145.00497	1.1
148.04039	1.1
149.02461	1.2
152.03548	43.2
153.03920	2.2
158.39832	0.9
160.00429	24.4
161.01036	1.2
171.04535	3.3
175.99876	0.9
176.03500	1.5
177.03151	1.4
178.01443	3.7
187.01494	1.3
187.99916	10.5
188.99397	16.9
192.03096	2.3
193.06560	2.4
194.04585	2.0
194.06168	3.3
195.04123	32.0
196.02635	1.9
196.04488	1.6
218.06322	1.1
219.04047	1.5
219.95908	1.4
220.02542	22.8
220.07698	4.5
221.02028	26.7
222.02371	2.0
222.05675	1.2
242.08493	1.1
248.07283	0.9
250.05139	1.1
253.08777	2.1
254.08286	4.6
263.03067	7.9
263.07172	0.9
264.06689	3.9
269.04422	1.5
270.07635	1.4
280.06149	3.5
280.09656	1.3
282.07794	5.6
285.04071	2.6
292.06088	1.1
296.09235	4.8
324.08783	28.7
325.08878	2.0
339.01587	1.4
367.00052	2.8
367.09378	100.0
368.09583	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	367.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11649	0.7
57.03453	1.4
57.80639	0.7
58.66437	0.7
59.01387	10.5
61.01016	2.4
61.98835	12.7
63.95105	0.7
67.06314	0.6
69.03473	1.1
71.01387	44.1
72.01702	1.0
72.99326	3.5
73.02960	3.5
78.95908	4.7
81.03454	0.9
83.01399	2.1
85.01034	31.4
85.02960	15.8
87.00894	2.2
89.02452	5.8
92.92786	1.0
94.92506	1.6
95.01387	3.2
96.96975	2.2
97.02962	3.9
101.02454	7.5
103.02053	1.1
108.02152	1.5
108.90199	3.3
109.04076	1.2
113.02460	37.7
114.02717	0.8
115.02098	54.8
119.94715	1.9
122.02465	1.3
125.02441	8.2
125.49441	0.7
127.02097	13.3
127.05128	2.9
128.02338	0.7
128.03575	1.5
131.03572	1.0
131.08269	1.3
133.01396	1.3
135.92081	1.0
136.98541	0.8
139.02046	1.7
143.03503	2.3
145.03137	13.3
145.06204	14.3
146.06537	0.8
151.02307	0.7
152.01129	1.2
154.92844	0.9
157.03148	30.5
161.04591	2.0
167.03511	4.5
169.03149	7.9
170.97115	0.8
182.97003	1.2
184.00127	1.3
186.04424	1.4
187.04205	46.1
187.10930	1.6
188.04565	1.6
191.54826	0.7
193.03546	1.9
203.95638	0.7
205.05246	19.5
217.05261	6.8
228.97443	0.9
247.06284	3.6
277.07373	39.3
278.07764	1.8
292.83990	0.9
307.08450	6.9
329.08740	0.8
337.09561	0.8
367.10556	100.0
368.10880	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	367.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12349	0.6
59.01368	2.1
61.98838	1.3
69.40308	2.4
70.92160	0.5
71.01375	0.7
72.00916	12.5
78.95914	0.7
91.05532	1.0
103.05557	0.6
108.02179	2.2
123.04544	1.2
147.04538	35.7
148.04875	2.3
152.01208	1.8
152.46245	0.4
164.07179	100.0
165.06549	0.5
165.07556	4.9
167.03520	5.9
169.04092	0.5
177.99615	0.5
197.42207	0.5
231.13527	0.8
311.87280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	2.5
57.03428	4.0
59.01384	24.7
61.98831	3.8
65.00326	3.0
67.33274	2.2
71.01398	6.4
72.99325	3.7
73.02978	3.0
81.03465	2.4
83.05022	2.8
85.02954	4.6
87.00889	2.8
89.02462	6.2
91.01916	12.9
93.03487	4.8
96.96071	3.0
97.02953	4.2
98.21827	6.5
101.02473	8.7
107.05033	3.0
108.02192	42.3
109.02937	13.4
111.00862	4.2
111.04566	2.7
112.07695	9.0
113.02520	3.0
115.04015	2.3
119.05046	9.0
121.02976	4.6
121.06629	2.8
122.17083	2.4
123.00903	5.5
123.04540	58.9
124.01675	5.3
128.07191	34.9
135.04541	2.7
137.02470	2.4
137.06090	2.7
145.09877	8.3
147.04515	2.4
147.08180	2.7
150.05597	2.9
151.04076	3.1
156.06732	6.0
161.04555	2.8
161.06032	4.2
164.03551	46.4
164.98347	3.0
166.33105	2.1
167.03519	100.0
168.03827	5.6
171.07843	17.9
173.09332	25.3
174.07848	2.6
175.03917	3.0
175.05237	2.9
178.05119	36.9
181.07222	2.6
189.09155	3.2
191.07114	2.7
199.07263	49.2
206.08089	3.3
209.04581	7.5
217.12369	5.0
220.09790	5.3
232.00990	2.3
235.10966	4.6
236.11588	2.7
251.13994	8.0
261.15103	3.0
263.10400	18.6
264.11124	48.5
265.11380	3.8
279.13364	9.7
285.04080	4.4
295.12997	57.0
296.13300	3.0
305.10229	2.9
305.13879	3.2
323.08575	2.7
323.12448	75.6
324.12805	9.1
331.10376	10.5
367.06622	7.4
367.10370	16.5
367.14087	7.4
367.17780	2.7
368.07462	4.8
368.14178	2.9
368.25549	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	367.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11716	1.3
59.01374	1.7
62.40533	1.5
86.68797	1.2
88.34226	1.3
93.03471	2.7
111.00912	2.6
117.03471	3.1
119.05045	24.3
133.02991	3.7
137.03607	11.3
145.02992	2.3
162.03229	6.4
177.05554	10.4
179.04666	5.5
196.05385	1.6
207.08028	1.8
208.44521	1.4
210.06705	2.1
213.05605	2.3
214.06290	1.8
221.06085	5.3
222.06831	13.9
233.06113	1.8
234.06877	2.7
235.07625	3.0
237.05597	4.7
238.06369	36.6
239.06746	3.2
241.05075	5.4
242.05795	3.2
247.03696	10.7
249.05580	9.0
250.06419	12.3
251.06967	4.9
261.05527	1.7
265.04941	4.5
266.05887	17.0
267.05997	2.1
277.05060	7.5
278.05859	67.9
278.08920	3.5
279.06494	16.2
281.08203	7.8
285.04062	17.6
287.04636	7.4
288.04617	1.4
291.06610	6.1
292.07419	6.0
293.04578	2.6
293.07828	2.8
294.05438	9.6
294.08270	1.9
305.04602	2.4
306.05377	41.6
307.06097	33.2
308.06393	2.9
309.07742	4.3
319.06250	2.1
320.06863	11.2
321.07700	100.0
322.04758	13.4
322.08322	34.1
323.05164	2.5
323.08810	2.3
335.09323	17.0
336.10043	70.7
337.07156	66.2
337.10742	25.3
338.07458	8.3
338.11087	2.1
351.08701	3.4
352.09546	41.7
353.09894	4.1
366.99783	3.1
367.11813	32.9
367.20483	1.4
368.12671	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
69.30859	3.5
93.07611	0.7
98.21841	1.1
121.02967	1.2
147.04533	2.3
148.05318	100.0
149.05666	5.5
163.07666	63.3
164.07953	3.3
166.12201	0.7
367.08224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39248	12.9
59.01376	43.0
63.10604	14.9
69.17339	52.0
69.17764	51.1
86.07716	12.3
96.96034	17.4
98.22707	27.8
117.15744	14.6
119.05036	19.6
133.02943	51.8
139.11284	25.8
171.10272	22.4
190.02724	21.0
205.05104	28.8
209.11871	18.8
247.06015	18.7
285.04126	20.0
329.23352	100.0
337.07101	28.1
367.08313	92.8
367.11856	48.7
368.08102	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	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
57.03435	2.7
59.01385	69.1
71.01388	46.3
73.02951	29.3
74.03299	1.2
75.00858	1.7
83.01389	12.7
85.02959	24.7
86.00076	1.9
87.00881	2.3
89.02448	10.9
90.34785	1.4
93.03450	3.4
95.01401	4.8
97.02959	1.8
99.00880	9.7
101.02457	58.2
101.08864	1.4
109.02979	6.4
111.00841	2.3
112.01623	1.2
113.02462	18.8
117.03435	1.5
119.05048	15.3
121.02975	2.4
125.02443	2.7
129.01933	1.8
131.03546	2.1
131.53424	1.3
133.02972	4.6
143.03481	2.6
147.61966	1.2
149.02449	1.2
159.03001	5.0
161.04573	21.7
163.00380	4.8
163.04041	10.1
167.01633	1.7
177.01929	9.5
191.05617	5.0
205.01338	1.8
209.04536	1.4
223.02434	1.5
235.11893	100.0
236.12288	6.6
250.03751	2.4
307.17667	1.6
367.16089	93.6
368.16330	7.3
393.26312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.1
57.03444	3.5
59.01383	45.0
66.03509	0.8
71.01388	46.0
72.99315	1.4
73.02951	30.9
81.03458	1.4
83.01394	12.2
84.04554	1.3
85.02958	25.8
86.00088	1.3
87.00875	1.8
89.02448	9.3
93.00906	0.9
93.03429	1.6
95.01396	3.3
97.02956	1.8
99.00884	11.1
100.07667	1.3
101.02453	55.9
102.02802	1.9
104.50343	0.9
110.03592	4.8
111.00911	2.3
113.02459	22.9
114.02728	1.0
119.04996	1.9
123.04520	3.0
125.02471	1.2
128.07193	9.1
129.01974	1.7
131.03543	3.0
134.03648	8.9
135.05681	2.8
139.00423	1.0
143.03531	2.8
143.07222	0.9
145.06581	1.0
159.02998	4.8
161.04559	18.6
167.03525	4.8
169.08667	1.5
174.07698	1.5
178.02565	4.8
196.07303	2.9
197.06075	2.1
207.74907	1.0
218.06740	2.1
232.15331	0.8
235.11882	95.4
236.12228	5.5
256.13510	1.5
263.11908	0.9
281.13211	2.2
282.08841	27.1
285.04080	9.9
287.04666	3.8
300.12463	3.1
323.11563	0.9
366.99863	1.8
367.16125	100.0
368.08005	1.2
368.12341	4.2
368.16534	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	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19532	1.3
59.01384	100.0
65.00318	1.5
71.01377	3.6
72.01664	1.3
73.02957	1.7
85.02961	1.4
96.96017	1.7
101.02458	2.3
113.16747	1.4
119.05081	3.0
163.00400	2.8
167.03510	2.0
177.01845	2.2
205.01453	2.0
209.04620	1.4
265.12888	7.3
280.06265	1.6
307.14124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1656
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.71020	1.4
69.03461	5.0
74.96183	3.4
75.00874	10.1
84.11526	1.3
88.46820	1.5
96.96013	4.8
107.08646	7.4
108.05801	2.4
111.72068	1.7
119.08690	6.4
125.09717	2.0
127.11319	2.5
137.09737	25.2
171.10292	55.3
172.10635	2.4
185.11766	1.5
193.08479	16.3
201.11330	26.3
223.09492	11.2
229.04863	4.2
247.09795	1.3
259.07196	1.6
273.18555	3.7
284.50937	1.4
290.04712	1.8
291.19785	6.6
293.21201	1.8
309.20764	33.4
310.21091	2.3
331.18207	2.4
367.16580	100.0
368.16916	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	367.1763
Annotation	2alpha-Hydroxytirotundin
Peak:m/z	Relative Intensity
57.03458	5.0
58.00590	0.9
59.01379	4.6
69.03440	1.8
69.78048	2.7
71.01387	12.5
73.02956	8.8
83.05010	1.5
84.02169	1.3
85.02956	14.0
87.04517	1.9
93.32182	0.8
95.05080	1.5
97.06582	5.7
99.04520	1.4
107.04975	1.1
109.06610	1.5
111.08154	1.0
117.03481	2.6
125.06090	1.8
127.00442	0.8
133.02977	1.8
137.09753	3.1
149.09720	1.0
163.11282	1.0
177.01843	1.1
177.12874	1.0
179.14325	0.9
191.14395	1.1
193.15971	0.8
205.16029	1.4
217.16121	0.9
219.17639	2.1
235.13560	1.8
243.17613	0.9
245.15506	3.0
249.18614	8.1
253.05115	1.6
253.14412	1.4
261.18579	2.8
269.04575	1.7
277.05569	0.8
279.19669	3.8
285.03943	3.1
287.04681	1.2
287.16507	1.1
305.17471	1.1
310.05099	1.3
323.18646	85.1
324.19040	8.6
335.01404	1.4
339.08798	1.1
367.17627	100.0
368.17999	10.5
369.36209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2646
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
54.54227	0.8
61.71289	0.8
69.90659	1.0
69.90988	1.7
75.65443	0.8
84.55717	0.7
96.63483	0.7
96.96017	2.6
118.93143	0.8
133.06612	9.4
149.09741	100.0
150.10065	6.0
162.25961	0.8
183.01233	7.3
184.01897	0.9
197.02798	28.1
198.03485	4.9
205.15996	61.3
206.16353	4.4
230.02484	1.6
267.10800	1.1
295.17026	3.6
296.17761	1.0
328.16858	2.9
367.22928	64.3
367.26483	86.2
368.23270	8.0
368.27325	15.6
388.91678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43820	0.8
54.79807	0.6
58.43893	0.7
70.41186	0.7
71.20447	0.9
73.26707	0.7
86.97388	0.7
96.06610	0.7
118.26648	0.7
125.25916	0.7
133.06595	2.5
149.09735	100.0
150.10085	6.3
161.78679	0.7
183.01234	1.9
197.02786	7.7
198.03572	1.2
205.14413	1.0
205.15991	94.2
206.16333	8.2
367.23334	7.6
367.26611	99.1
368.22803	0.8
368.26895	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	368.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01343	2.4
65.00302	2.1
65.98760	0.5
67.01860	0.6
69.09326	4.2
78.08408	0.6
84.66496	0.6
87.00839	0.7
90.03500	9.2
91.01897	12.8
93.03473	2.7
98.21791	1.1
109.02926	2.2
117.03474	38.7
118.02230	0.7
118.03017	13.5
118.03798	1.1
119.01404	22.3
119.03240	0.8
119.05003	0.8
132.02133	0.7
133.02969	20.0
134.02495	6.7
134.99947	0.7
135.00905	11.4
135.04559	0.7
138.01932	1.1
144.00931	0.8
151.03952	0.7
159.00928	0.8
161.02470	12.1
162.01976	34.1
163.02304	1.7
163.03900	0.5
163.07698	2.8
165.05495	0.6
169.06616	0.7
175.03972	3.0
177.01877	1.2
178.01430	1.8
181.06454	0.7
185.02443	0.8
187.03978	2.7
187.07494	1.0
189.05676	0.7
191.07098	0.8
195.04497	0.7
197.06055	0.9
199.04015	2.5
201.01906	1.1
204.03015	0.8
204.84784	0.6
205.08530	0.6
207.06648	1.2
208.05240	1.2
209.06073	5.3
211.04019	1.7
215.07300	0.7
217.04964	2.0
223.03925	0.6
224.12663	0.5
225.05405	1.2
235.03954	1.9
237.05537	2.0
240.04199	1.1
245.08232	1.8
249.54709	0.7
251.03755	0.7
253.05063	21.7
254.05418	2.4
255.02956	1.2
263.03271	0.8
268.03854	4.8
271.02414	1.9
271.05545	0.7
278.04749	0.8
279.03006	0.7
281.04614	14.0
281.07825	1.0
282.04810	1.4
286.04514	1.0
288.04526	0.7
295.10040	0.6
296.05728	6.6
297.07642	2.0
307.02222	0.7
323.09262	1.5
323.18463	0.9
324.05151	100.0
325.05276	11.0
327.62433	0.7
341.10431	4.5
351.08734	3.0
368.04160	22.1
368.17584	1.3
369.04767	2.0
369.09784	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19855	1.3
53.69845	1.3
59.01385	28.3
60.01717	2.3
65.00320	3.1
69.36975	5.7
71.01394	2.6
80.46980	1.3
90.03497	8.4
91.01907	25.6
93.03458	6.8
95.01408	2.2
95.05085	1.5
101.02445	2.3
104.26141	1.3
105.03450	2.1
107.01434	3.3
117.03480	21.2
118.03012	3.8
119.01392	8.8
121.03016	1.3
129.48630	1.2
131.01390	4.3
132.02205	14.3
133.02980	15.2
134.02490	4.6
135.00900	37.3
135.04582	1.7
137.06064	1.5
138.01979	3.7
149.02489	1.4
159.00920	12.7
159.04553	2.7
160.01685	9.4
161.02486	21.1
162.01982	34.6
163.00375	2.6
163.07762	1.4
163.99881	1.7
167.05128	3.0
170.80164	1.3
175.00342	3.2
175.02773	4.8
176.03487	3.0
177.01935	2.8
180.05843	3.1
181.06543	2.3
182.03685	1.6
183.04579	1.9
186.02034	1.8
187.00389	9.4
191.00446	1.3
193.08398	1.4
195.04539	4.4
197.02484	2.8
197.06104	5.0
199.04050	4.8
201.02074	1.4
203.02202	9.8
204.03030	39.9
206.00928	6.5
207.04544	3.1
208.05342	2.1
209.06160	6.8
211.04044	8.0
213.05602	1.6
223.03983	3.0
224.04709	3.2
225.02045	7.1
225.05624	10.8
227.03548	4.5
230.00986	2.5
235.04100	7.3
237.01978	4.9
237.05656	2.5
239.03577	1.7
240.04202	2.2
251.03503	7.3
253.01398	13.6
253.05086	26.8
254.05035	4.0
255.02917	2.1
263.03531	5.4
268.03793	12.0
268.06250	2.3
270.04065	18.5
271.04480	2.1
279.03040	12.0
280.06186	1.7
281.01013	4.9
281.04575	16.1
282.04321	6.2
296.05835	3.5
298.03610	43.6
299.04010	2.1
307.02545	13.2
308.02850	1.9
324.05148	94.0
325.05594	9.3
326.08051	4.8
341.10352	4.0
367.16284	1.6
368.04153	100.0
369.04526	10.1
369.09799	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	368.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.5
65.00308	2.2
65.02711	0.4
68.99819	1.2
69.33202	0.9
69.33611	1.2
71.01385	0.5
73.55104	0.4
81.03468	0.9
83.01384	1.6
89.02723	0.7
92.99825	1.8
95.01385	2.5
95.05064	0.4
95.21756	0.4
96.99337	0.6
98.22678	0.5
99.00854	2.4
100.01211	0.5
101.03896	0.4
105.02211	0.7
105.03450	0.5
106.06696	0.5
107.04977	0.5
109.01698	0.9
109.02945	1.0
110.00105	0.8
111.00887	1.7
112.01221	0.4
115.05549	0.6
116.01418	1.8
117.03446	0.5
118.02981	0.9
118.06637	1.6
119.05036	0.7
120.01022	0.4
120.04573	0.9
120.05351	0.7
121.02927	0.8
122.06129	1.0
123.00877	1.3
123.04544	1.4
124.01686	1.1
125.02443	1.5
127.00355	0.5
127.05634	0.5
131.05075	0.9
132.00935	1.7
133.01692	2.6
134.00111	1.7
134.06099	0.6
135.04555	0.5
136.05341	0.4
136.07698	0.7
137.02473	0.6
138.05606	0.5
139.00412	1.2
140.00609	0.5
141.01953	5.0
142.02295	1.7
143.04976	0.5
144.00948	0.9
144.08267	0.5
145.06593	0.7
146.02472	0.7
147.04495	1.0
148.03998	0.6
148.07762	1.0
149.01205	11.2
149.02419	1.3
150.01434	0.4
150.03238	0.5
150.05602	0.9
151.03935	0.5
152.07205	0.5
153.01942	5.4
160.00415	6.5
160.98701	0.5
161.01154	1.4
161.06119	1.7
162.01959	1.5
162.05624	1.2
163.99873	1.1
164.03479	0.6
164.04779	0.4
164.07196	1.6
170.06139	1.1
171.04526	3.0
172.07695	0.8
173.06180	0.8
174.02013	0.5
175.99825	0.5
176.07184	1.0
177.00699	1.1
178.01390	0.6
178.04993	0.7
186.05637	0.8
187.99950	0.5
188.07458	0.4
190.01418	0.9
192.03098	0.6
192.06677	1.4
193.01385	1.6
195.08125	0.4
196.02515	100.0
197.02890	4.9
200.07143	2.6
206.04695	0.5
220.02490	5.4
220.05960	0.6
221.00909	4.3
222.00523	1.0
226.12334	0.7
236.02005	25.9
237.02376	1.6
241.04941	0.4
250.08769	1.0
253.08759	0.5
254.11884	2.0
264.01505	13.0
265.01917	0.9
265.10611	0.4
268.13477	0.7
278.08517	0.6
278.11667	0.8
280.09705	0.7
281.08258	1.9
282.11337	7.3
283.11530	0.5
286.04395	8.8
286.07535	0.5
287.04770	1.5
288.05518	3.5
296.09351	1.6
296.12927	2.7
297.13364	0.5
306.11371	1.4
324.08826	0.8
324.12347	0.8
325.07108	0.8
340.11884	1.5
368.07605	60.5
368.11456	68.4
369.07758	6.8
369.11868	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	368.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98719	0.8
60.98230	0.9
61.76655	0.9
64.18170	1.3
68.99821	15.3
77.03945	0.9
81.03478	4.6
83.01421	2.1
89.03938	0.9
91.01897	2.2
96.95931	1.1
101.03971	2.6
101.22900	0.9
105.03479	14.7
108.04572	1.8
109.02943	6.4
115.05550	1.1
117.03481	2.5
119.01382	2.3
121.02947	1.5
123.04501	4.8
124.04056	2.5
126.10087	0.9
127.05527	1.8
131.01372	1.4
132.02182	1.5
133.02960	2.0
134.02379	1.4
135.00847	2.2
137.02457	2.7
143.05019	1.6
145.06590	1.0
147.00905	12.1
147.04520	5.0
148.01691	1.7
148.04042	2.8
149.02444	14.2
152.03511	4.0
153.30840	1.0
162.03302	4.9
171.04533	71.8
172.04889	4.0
173.06102	1.4
175.00388	2.4
175.04021	4.2
176.03421	1.8
177.01944	1.2
178.01494	5.0
191.08690	4.8
193.06619	1.7
207.08159	9.5
209.09741	2.4
210.06979	1.4
216.00616	2.1
219.08105	1.7
221.06024	1.0
222.06932	1.0
223.07544	2.3
225.08995	1.1
233.06133	6.1
234.06877	1.3
235.07721	11.4
236.08078	1.5
237.09116	2.3
238.06346	2.1
250.06474	2.5
251.07137	7.7
253.08681	15.1
254.09035	2.2
262.03659	2.1
262.08594	1.4
263.07059	7.2
264.07794	0.9
278.05844	16.7
278.08438	0.9
279.06583	12.3
280.07129	1.3
281.08231	41.4
282.08487	3.5
286.04272	4.8
296.09381	8.7
306.07681	3.9
307.06152	18.9
308.06241	1.8
324.08792	100.0
325.09152	11.5
350.06540	2.0
368.07730	78.2
369.08142	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	368.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45390	0.4
65.00320	1.9
65.99855	0.8
68.99822	0.7
69.05473	0.4
69.10378	2.1
82.02992	1.2
83.01375	0.5
94.00562	0.6
98.22656	0.7
99.43739	0.4
99.92593	0.9
105.03419	0.4
109.02988	0.5
110.02509	0.7
120.00948	0.9
120.04518	0.6
120.19132	0.4
122.02522	0.7
124.04060	4.6
133.03014	0.6
136.00363	0.5
136.04057	1.8
136.98804	0.7
137.02493	0.5
141.07079	0.4
146.02495	1.5
148.04044	0.9
149.01184	1.1
149.02399	0.5
150.01968	0.7
153.92953	0.4
162.01945	1.8
163.00323	0.5
164.03557	8.3
164.98267	0.8
169.06604	0.8
171.04524	2.4
173.06154	0.7
175.99835	0.8
176.01187	0.5
176.03522	0.6
177.01961	0.9
179.07385	1.4
192.03006	3.8
196.02551	1.2
205.03839	0.7
208.11374	0.7
218.04628	3.3
222.05586	0.7
223.06415	1.7
225.05653	0.7
226.08696	2.9
226.50284	0.5
240.06671	1.1
240.10272	0.9
241.08762	0.6
245.82196	0.5
252.10376	0.8
253.05011	0.6
254.05858	1.0
254.08243	3.1
264.01196	0.5
267.02957	1.1
267.05548	0.7
268.06778	0.7
268.09814	11.3
269.04510	1.2
269.10135	1.0
270.07733	0.5
278.08264	1.1
279.06473	0.4
280.06311	1.4
287.05771	0.6
290.08301	0.5
292.05933	0.5
296.09296	100.0
297.09634	9.8
319.16489	0.4
324.08868	4.7
333.97235	0.4
340.97516	0.5
355.41785	0.4
368.07666	4.4
369.07785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44045	3.2
57.14869	2.7
59.01389	4.5
68.99807	14.6
69.11012	12.4
69.11418	5.3
101.03995	4.6
105.03462	15.7
105.93363	3.0
109.02970	8.7
117.03472	2.8
134.49004	3.2
147.00900	8.6
147.04588	5.2
148.04124	3.5
149.02480	14.4
152.03574	6.6
171.04532	64.6
172.04875	4.0
176.03458	2.9
178.01472	6.5
190.02693	3.5
191.08678	4.3
207.08226	8.1
207.36559	2.7
216.00699	3.1
220.02631	4.2
221.06303	3.4
233.06087	9.4
235.07686	9.7
241.44815	3.0
251.07198	7.0
253.08705	15.1
263.07266	3.3
278.05756	15.0
279.06680	14.1
281.08191	35.8
296.09326	8.8
306.07788	3.3
307.06070	14.7
324.08798	100.0
325.09229	12.9
368.07727	70.5
369.08231	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	368.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50626	0.9
64.01917	4.2
65.00322	9.0
65.99853	27.2
68.99826	5.8
69.81193	3.5
78.96352	0.8
88.08228	0.9
89.13644	0.9
89.99844	1.2
91.01888	0.9
92.99838	2.0
95.01347	1.2
96.00908	8.2
99.00903	1.5
101.03954	1.9
105.02218	1.3
107.00111	1.0
108.00909	6.0
109.49640	0.8
119.05022	1.1
120.00949	1.4
122.31564	1.0
124.01634	1.0
132.00958	1.5
133.01678	2.4
134.99666	1.5
136.00418	40.9
137.00710	1.1
149.01170	3.8
149.02451	3.3
151.05542	4.5
153.01967	2.7
160.00398	2.9
163.99916	39.7
164.98238	1.6
165.00294	1.6
169.06607	1.4
171.04550	20.4
175.99910	26.5
177.00603	3.7
187.99908	1.8
189.00693	1.8
190.98607	7.6
192.03085	1.3
193.01501	8.2
193.06570	1.7
196.02547	7.2
198.05644	1.7
199.04010	1.4
203.99371	14.4
204.99922	1.6
220.02702	1.3
220.07582	2.0
222.05643	1.5
223.07724	1.2
224.07147	3.8
226.05023	1.6
236.02020	1.2
238.05139	3.4
240.06693	4.3
251.06944	1.1
252.06654	2.4
253.08641	1.1
264.01480	2.6
264.06558	5.9
268.06155	100.0
269.06589	7.7
270.04922	1.1
270.07669	1.8
279.06799	2.0
280.06180	36.9
280.09235	2.0
281.06381	3.0
282.11462	1.2
292.06064	6.3
293.04547	1.6
295.04813	3.0
296.09219	2.8
297.07639	3.2
308.05649	32.9
309.06015	3.5
324.08804	9.9
325.07065	2.8
336.05249	6.4
340.04306	0.8
340.08221	18.3
341.08615	2.9
350.06790	1.7
368.07730	58.1
368.11703	3.6
369.08002	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	368.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62600	2.7
59.01363	4.7
60.27378	2.3
60.54609	2.9
69.43584	13.1
74.26302	2.8
75.02393	3.2
77.03948	4.4
81.03460	18.7
83.96835	2.3
89.03959	7.6
90.03474	4.2
91.01904	9.1
91.05608	2.6
96.00927	3.5
98.06086	2.9
100.07658	13.5
105.03468	39.9
106.02966	4.1
107.01402	4.6
108.02178	11.8
108.04564	3.3
109.02951	38.9
110.02515	14.2
112.07702	14.0
120.04526	3.0
121.02952	5.1
123.04545	36.5
125.02381	3.1
128.07195	93.4
128.08148	5.0
131.01404	8.2
133.02968	63.9
134.02524	5.0
134.03513	4.2
135.00903	5.0
145.06604	3.5
146.08276	19.5
147.04457	5.1
148.04085	7.4
149.02435	10.2
152.01181	11.3
152.03542	43.4
155.75668	2.6
156.06668	10.3
158.02402	4.0
159.00937	6.3
160.01379	2.6
167.03510	85.0
168.03815	3.9
171.04503	18.5
174.07698	29.9
175.03995	8.6
176.03537	48.0
177.01935	46.0
178.01390	17.6
190.02745	4.4
191.08693	2.8
196.02512	57.4
202.99863	3.2
207.08249	4.9
209.09843	4.5
211.07590	3.2
216.00638	4.3
218.04762	5.0
218.06679	20.9
220.02492	10.6
221.00862	13.8
235.07657	6.6
237.09164	6.3
253.08705	37.1
263.07178	9.3
264.01505	100.0
265.01868	8.2
279.06689	5.1
281.08188	14.1
281.57883	2.7
282.08820	10.5
286.04541	3.3
296.11487	8.9
306.07877	6.7
307.06104	5.8
324.08798	86.7
325.09128	7.9
368.07751	97.6
368.12036	3.5
369.07495	5.4
369.11456	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	368.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.0
69.05433	4.6
83.05025	0.7
86.49888	0.7
91.01900	7.4
98.06141	2.0
98.22655	1.2
100.07689	12.9
101.08080	0.9
108.02184	8.4
109.02992	0.9
110.03600	1.1
112.07692	17.7
117.63870	0.7
123.04536	27.6
124.04863	1.2
128.07185	100.0
129.07497	2.6
134.03619	1.9
144.42363	0.7
146.08240	18.3
152.01160	12.3
156.06673	12.9
167.03500	94.0
168.03877	5.5
172.06131	0.8
174.07721	41.3
175.08006	2.2
176.03555	0.8
178.02512	1.0
196.02594	0.9
200.05672	1.6
203.88451	0.7
216.75333	0.7
217.84850	0.8
218.06717	26.5
218.65746	0.7
219.07207	0.9
232.08238	1.4
241.21371	0.7
264.01541	1.5
282.08804	5.8
296.11392	12.6
300.12448	0.8
314.78415	0.8
324.08521	1.2
338.49738	0.7
368.07635	1.2
369.10995	3.1
380.51740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1142
Annotation	Fumarofine
Peak:m/z	Relative Intensity
65.00349	1.1
65.02701	0.7
65.99839	1.2
68.99810	1.8
69.57789	1.8
70.01303	0.8
71.87934	0.7
74.99252	0.8
81.03445	1.1
82.08883	0.6
83.01354	1.0
85.02952	0.9
89.02731	1.0
91.49254	0.8
92.99834	1.7
95.01386	1.8
99.00879	3.3
100.01250	0.7
105.03482	0.9
109.01717	1.5
109.02966	1.5
111.00863	1.6
115.05574	0.9
116.01415	2.4
118.02998	0.9
118.06634	1.5
119.05003	1.2
120.04551	1.1
120.05373	0.7
123.00909	1.1
123.04547	1.5
125.02452	1.0
125.12852	0.7
131.05107	1.0
132.00842	0.8
133.01698	2.1
134.00069	1.1
141.01955	10.1
142.02289	5.7
144.00903	0.9
145.06606	0.8
147.04549	0.9
148.04097	1.1
148.07721	1.6
149.01222	8.4
149.02371	1.5
150.05592	1.3
153.01933	5.0
160.00439	4.7
161.01149	0.9
161.06111	2.6
161.90858	0.8
162.01918	1.7
162.05595	1.5
164.03596	0.9
164.07179	1.8
164.58279	0.8
170.06140	1.0
171.04506	2.4
172.07626	0.8
176.07170	1.3
177.00751	1.4
178.01453	1.0
186.05583	1.3
187.99858	0.7
190.01422	0.8
192.06653	2.1
193.01451	2.1
196.02528	100.0
197.01236	0.8
197.02855	4.9
198.09256	0.9
200.07167	2.4
211.93347	0.8
220.02509	5.1
221.00926	5.2
232.43262	0.8
236.02023	27.5
237.02290	1.3
237.87341	0.9
240.40234	0.9
254.11870	3.1
264.01508	13.4
264.10330	1.6
265.01758	1.1
278.11972	1.2
280.09955	1.1
281.08228	1.2
282.11371	8.6
287.05716	1.8
288.05975	6.5
296.09604	1.3
296.12927	3.7
306.11511	1.1
324.08810	2.4
324.12381	1.3
362.85168	0.8
368.07620	58.8
368.11469	93.4
369.07941	6.8
369.11832	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	368.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29217	0.8
59.01384	6.0
61.98838	1.2
65.00306	1.0
65.01445	0.9
65.99830	1.0
66.03490	4.4
67.03016	1.7
68.01401	0.9
69.24761	4.4
71.01392	2.8
72.99315	2.0
73.02976	1.6
79.01911	1.1
81.03474	3.2
83.01404	1.3
84.04556	4.9
85.02956	1.9
87.00878	1.2
91.01922	1.5
91.03011	1.7
93.00957	5.5
93.03445	4.4
94.01246	0.8
95.05023	0.8
96.34741	0.8
96.96001	0.9
97.02935	1.3
100.07688	1.3
100.11102	1.0
107.06185	1.3
108.02182	0.8
108.04583	1.9
109.02979	2.3
109.06613	1.0
110.02473	1.2
110.03618	21.7
110.06130	6.3
111.00895	1.4
112.07689	1.7
112.98819	2.5
113.02488	1.6
115.05483	0.8
117.03466	1.1
119.05053	6.2
122.03750	0.9
123.04556	5.1
123.08165	1.0
128.07198	33.5
129.07561	0.9
130.04280	1.1
133.03062	1.3
133.04123	1.4
134.03621	40.3
135.03935	1.0
135.05605	6.6
136.00429	2.5
136.32497	0.8
137.06079	1.0
143.05019	0.9
145.06596	9.0
146.08282	1.3
147.04556	3.7
149.07193	1.4
149.09711	1.2
152.01189	1.2
152.04642	1.0
152.08328	1.0
154.01459	2.2
154.05106	1.6
156.06705	0.9
157.06461	1.1
165.01933	0.9
167.03535	8.0
167.48064	0.8
171.04561	2.3
174.07751	3.1
175.07718	1.0
178.02591	23.2
179.03078	1.1
184.07687	0.9
187.07703	2.3
196.07310	9.9
197.06071	6.9
197.07581	1.0
209.09793	0.9
212.10867	1.2
213.05608	3.1
214.08763	1.7
218.06657	2.1
227.07179	1.0
239.10838	1.6
240.07791	1.0
255.11418	1.5
256.13400	5.3
263.12054	3.0
269.08157	2.6
271.06165	1.2
281.12985	8.8
282.08868	100.0
283.09207	7.8
286.04489	2.4
288.04861	1.0
296.11740	0.9
297.07651	1.6
297.12567	4.6
300.12463	13.1
301.12903	1.4
325.07199	5.5
325.12219	3.8
333.22913	1.0
351.10812	1.2
368.07642	1.7
368.12518	13.0
369.06384	3.4
369.11731	8.2
369.15863	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	368.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01386	7.7
59.38128	1.1
65.00310	1.0
65.01427	1.2
66.03497	4.7
67.03008	1.2
68.01410	2.2
71.01393	1.9
72.99326	0.9
81.03462	3.0
84.04550	4.9
85.02928	1.1
87.00890	1.5
87.04539	0.9
90.90763	0.9
91.01891	3.0
91.03014	1.5
93.00957	5.2
93.03441	2.9
95.01431	0.9
100.07683	4.7
107.02551	1.1
108.02193	3.8
108.04567	1.5
109.02945	1.5
110.00031	0.8
110.03615	23.1
110.06127	5.0
111.00900	1.7
112.07690	6.7
113.02425	1.5
119.04996	4.8
123.04538	12.0
128.07187	56.3
128.46040	0.9
129.07492	1.9
130.04282	1.0
133.04059	1.1
134.03622	40.2
135.01947	1.1
135.05611	6.5
136.00432	1.6
136.04089	1.6
139.00346	1.5
145.06602	7.8
146.08231	6.4
152.01170	3.8
152.03380	1.0
152.04707	0.9
154.01451	1.5
156.06653	5.5
167.03511	33.8
168.03860	1.8
171.04529	3.2
172.07660	1.0
174.07741	15.5
178.02603	21.5
178.06274	0.9
187.07652	1.7
189.05630	1.2
196.07307	10.5
197.06100	9.0
209.09784	1.1
213.05595	3.5
214.08716	1.8
218.06683	9.8
239.08299	2.2
239.10635	1.1
240.07825	1.3
244.25790	1.0
256.13412	6.0
263.12079	2.7
281.12952	7.3
282.08856	100.0
283.09225	9.8
286.04355	6.3
288.04919	1.5
296.11404	4.8
297.12659	1.2
297.48318	1.0
300.12430	12.8
301.12924	1.1
307.11682	1.0
325.12311	1.0
344.24579	1.1
368.07950	1.7
368.12549	12.3
368.25589	1.4
369.11746	7.7
369.15860	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	368.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00992	6.2
58.35171	6.8
59.01394	37.3
59.78733	6.1
71.01385	8.1
73.02961	11.9
109.02974	9.5
115.04109	8.7
117.03498	9.4
133.02985	100.0
145.02954	7.6
169.12387	7.1
175.04027	18.2
177.01845	8.5
199.03986	14.1
201.02010	12.5
207.06725	12.8
233.08206	13.0
245.08165	9.1
253.05203	11.7
268.03836	10.8
271.02515	8.7
323.09122	8.1
333.56979	8.2
341.10486	14.4
369.09842	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	368.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17335	4.7
62.01040	4.9
70.49685	9.2
72.88679	5.7
76.85660	5.8
90.32282	4.6
92.59982	5.3
109.02984	8.5
110.10632	6.2
119.05021	12.6
130.07990	4.9
130.64626	4.7
133.02965	71.2
135.04541	8.2
139.00391	5.8
153.01904	13.5
154.02283	10.2
154.85414	5.7
163.07672	16.6
166.99846	7.7
168.00180	6.1
175.03929	10.7
177.02020	6.2
179.07216	8.5
181.01474	7.5
182.01671	6.4
199.04054	7.1
207.06670	12.2
245.08139	16.5
259.72852	5.3
286.04388	16.2
287.05399	16.1
288.05942	62.0
297.07730	7.9
307.05939	8.7
341.10229	18.9
368.01428	9.6
369.02103	6.2
369.09796	100.0
394.90079	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	368.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13623	3.6
59.01383	100.0
59.38649	2.7
60.44468	2.9
61.98842	5.5
62.63937	2.8
65.47483	2.8
69.24087	18.0
78.95937	4.6
96.95982	4.2
98.21847	5.2
101.02478	3.7
128.07188	7.4
131.08250	4.2
139.67287	3.2
144.04572	7.8
151.04214	3.0
154.43437	2.9
167.03543	6.8
173.10442	3.5
291.01898	3.8
314.61844	3.5
318.11557	3.5
368.07437	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	369.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	1.4
67.01889	2.1
68.99831	1.5
69.49760	2.2
70.25486	0.8
81.03448	1.1
83.01389	1.4
91.19009	0.7
93.03445	1.1
95.05032	1.0
96.96050	0.9
105.03487	0.9
108.02203	2.3
109.02969	27.0
115.78538	0.8
119.05056	1.0
121.03036	1.2
121.06599	1.6
122.03738	0.9
125.02470	2.1
132.02228	2.3
133.02974	89.9
134.03479	3.0
135.00926	1.3
135.04546	3.1
135.08183	3.0
136.01648	3.9
137.06110	1.3
145.06595	1.5
146.03749	1.0
148.05336	1.8
149.06081	1.3
151.00415	1.3
151.04012	7.7
157.02870	0.9
158.03799	1.8
159.04532	2.4
161.02487	2.2
161.06052	1.5
161.09760	1.1
163.07681	9.4
165.05586	1.6
167.03531	1.4
171.04532	1.3
172.05336	2.1
173.06105	2.5
174.03262	5.7
175.04022	18.8
176.04308	0.9
177.01961	5.9
183.04533	0.9
187.04044	2.4
187.07681	2.0
188.04822	2.2
189.05659	1.1
189.09247	1.2
190.02773	1.5
191.07169	18.9
192.07533	1.0
199.04007	8.2
200.04713	1.1
201.01953	3.5
201.05582	1.3
203.03442	1.7
203.07104	1.0
205.08784	6.9
207.06670	1.0
211.07622	1.0
212.04811	1.2
215.03583	3.9
215.07123	2.4
216.04291	7.9
217.05095	12.4
218.05386	1.4
227.03503	1.8
227.10854	3.0
228.04251	1.3
229.08746	1.3
231.06679	3.7
233.08200	13.2
241.05104	1.1
243.03008	6.3
244.03644	1.7
245.04538	4.2
256.03702	0.9
259.06143	1.6
269.04758	1.1
271.02548	8.4
271.09784	33.3
272.03214	2.2
272.10190	2.4
297.07996	1.4
297.11374	4.6
299.09171	1.2
300.02963	1.6
313.10886	9.5
314.11145	1.6
323.09286	1.4
325.10855	1.5
341.10278	17.5
342.10620	3.0
351.08823	2.3
369.09808	100.0
370.10175	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	369.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02234	0.7
59.01368	0.7
65.00324	2.4
67.01894	1.1
69.30381	4.2
75.39182	0.6
81.03465	0.8
83.01375	1.3
93.03456	1.7
93.07124	0.7
98.22697	1.3
108.02202	2.4
109.02964	27.3
109.03709	1.6
111.00905	1.5
117.03512	0.9
119.05041	4.2
121.06603	1.8
124.01672	1.2
132.02203	2.5
133.02968	88.1
134.03238	4.1
135.00890	1.2
135.04536	2.4
135.08168	3.3
136.98869	1.6
137.02533	1.0
137.06079	2.0
144.73843	0.8
146.03784	1.7
147.04521	1.7
149.06091	1.6
150.03259	1.6
151.04027	7.3
158.03726	1.2
159.04541	2.4
161.02490	2.2
161.06129	1.1
161.09697	1.2
163.07690	8.1
165.99123	2.9
171.04477	2.1
172.05296	2.3
173.02522	1.0
173.06081	2.1
174.03233	6.2
175.04016	17.3
176.04434	1.0
177.01952	5.7
179.07190	1.3
181.01503	1.1
187.04012	5.8
187.07639	7.5
188.04797	3.3
191.07149	6.7
197.06175	0.9
198.07022	0.8
199.03981	7.8
200.04628	1.6
201.01920	3.4
201.05612	2.0
201.11662	0.8
202.02702	1.0
203.03554	3.5
205.08727	5.3
207.06705	2.2
209.06108	0.9
211.07793	1.1
215.03526	3.6
215.07097	1.6
216.04309	8.6
217.05054	12.6
227.03578	1.9
227.10742	3.4
228.04243	1.4
229.08681	1.2
231.06659	2.2
233.08238	4.8
240.04279	0.9
241.04990	1.0
243.02934	7.8
244.03722	1.6
245.04558	5.4
253.05151	1.1
253.08659	1.1
271.02573	4.4
271.09787	37.7
272.03052	1.2
272.10104	3.0
297.08084	1.0
297.11362	8.3
313.10849	8.9
314.11151	1.1
323.09299	0.9
325.07211	1.1
341.10367	19.7
342.10577	2.0
351.08591	1.0
363.96533	0.8
369.09799	100.0
370.05771	1.6
370.10117	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	369.1344
Annotation	Fragransol D
Peak:m/z	Relative Intensity
52.98590	0.5
59.01278	0.9
59.01518	0.7
60.45890	0.6
66.67210	0.6
69.17006	2.8
82.72059	0.6
93.03313	0.8
98.09599	0.6
117.03315	0.6
119.04829	3.3
120.07023	0.5
131.26932	0.6
132.01955	3.1
133.02765	3.4
134.03235	0.6
137.02309	1.2
138.02995	0.8
145.02814	1.2
146.03540	2.7
146.35422	0.6
150.03052	1.3
151.00237	0.6
151.07495	0.7
160.01682	11.3
161.02209	2.0
161.05974	1.4
163.03879	0.9
164.04610	2.2
166.01324	1.1
175.03947	1.1
179.07149	8.1
189.05371	1.2
193.06493	0.7
199.03931	1.2
203.06998	1.0
206.07274	1.0
207.04968	0.8
207.06616	7.1
209.05869	0.6
211.07571	1.4
221.05884	2.1
221.08032	1.4
222.06879	8.5
223.07436	2.1
224.08278	2.2
225.05414	1.8
226.06131	0.9
233.06015	1.2
234.06750	0.9
235.07570	1.1
236.08376	0.9
237.05469	1.4
237.09106	1.2
238.06242	2.1
239.06970	2.7
239.10667	0.7
240.07933	22.7
241.08136	1.7
243.06651	2.8
244.07227	2.5
249.05473	1.2
249.07626	3.1
250.06224	2.7
251.07130	4.1
252.07773	2.2
255.10246	5.3
256.10455	0.6
261.05392	1.2
262.06293	1.9
263.07068	2.4
265.08572	1.5
267.06467	2.3
267.10153	2.1
268.07397	20.5
268.56772	0.7
269.07614	1.7
275.05634	1.7
277.05048	1.0
278.05777	2.3
279.06592	6.2
280.07410	17.9
281.08023	3.7
283.09775	15.1
284.10004	1.9
286.07120	0.9
289.05008	1.0
290.05814	1.1
291.06635	1.9
292.07230	0.8
293.08267	4.3
294.09012	2.9
295.06262	3.3
295.09271	1.1
296.06927	14.3
297.07254	2.3
306.05301	1.7
306.08713	1.0
307.06137	5.2
308.06943	20.3
308.10376	0.8
309.07681	17.1
310.08218	2.2
311.09296	9.0
312.09485	0.9
321.07816	5.1
322.08466	9.0
323.09259	35.0
324.06360	18.9
324.09991	15.9
325.06842	3.1
325.10342	1.1
337.10822	9.5
338.07529	0.8
338.11642	22.2
339.08737	100.0
339.12302	9.4
340.09097	10.6
340.12784	0.6
351.08817	0.7
353.10297	3.0
354.11111	71.4
355.11420	8.8
369.10223	2.9
369.13528	54.4
370.09729	1.1
370.13824	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	369.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12967	1.0
59.88730	1.1
63.04095	1.0
65.00325	1.4
68.99818	1.9
69.13727	4.1
69.14125	2.7
81.68946	1.3
93.03471	2.2
94.89602	1.2
101.10830	1.1
106.04238	1.9
108.02190	2.2
108.46006	1.2
109.02981	5.2
109.06627	2.8
115.90614	1.1
117.03485	4.2
119.05023	2.5
123.65665	1.4
125.72865	1.3
132.02168	3.8
133.02977	22.5
135.08160	16.0
136.01657	2.4
136.08383	1.2
137.02446	1.6
138.01996	1.4
146.03691	3.2
146.18365	1.6
150.03235	2.7
151.04025	2.1
160.01683	12.5
161.02461	1.8
161.06053	2.1
163.04041	1.2
163.07649	3.8
164.04776	1.8
175.04012	4.6
177.01900	2.0
177.09253	1.8
179.07147	28.4
180.07394	1.3
191.07237	1.4
199.04019	1.8
201.01974	1.5
205.08707	1.2
207.06644	44.3
208.06975	3.1
209.06131	1.3
211.07622	1.3
217.05099	2.8
221.06119	2.7
221.08052	1.3
222.06882	7.9
223.07619	2.0
224.08444	2.3
225.05759	1.7
227.07010	1.1
233.05978	1.5
235.07417	1.6
238.06264	1.8
239.07178	1.4
240.07925	22.0
241.08301	2.1
243.06639	2.4
244.07408	2.4
245.08234	4.1
249.05458	1.3
249.07721	5.3
250.06337	2.9
251.07115	6.0
252.07961	1.7
255.02780	1.4
255.10260	4.6
262.06467	1.8
263.07123	2.8
265.05115	1.7
267.06522	3.0
267.10333	2.1
268.07416	20.4
269.07925	1.6
271.06134	2.2
278.05762	2.0
279.06564	6.1
280.07416	13.7
281.07990	4.3
283.09805	14.2
284.10049	1.6
285.04099	5.0
287.04645	11.7
289.04944	2.8
290.05734	1.6
291.06570	1.8
293.08215	5.1
294.08948	3.5
295.06174	3.2
295.09482	1.3
296.06931	11.0
297.07581	4.1
297.11029	2.0
306.05417	1.3
307.06128	6.9
308.06943	20.0
309.07700	16.5
310.08112	3.3
311.09302	8.4
313.10886	1.4
321.07620	6.0
322.08453	7.8
323.09262	37.5
324.06354	21.4
324.09949	14.3
325.06915	3.5
325.10489	2.2
337.10706	9.4
338.07968	1.4
338.11612	21.8
339.08743	100.0
339.12323	8.9
340.09067	10.5
341.10443	9.0
353.10336	2.7
354.11102	70.1
355.11432	8.2
368.99860	3.7
369.09637	37.6
369.13474	53.4
370.09958	4.3
370.14075	7.1
387.87671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31882	0.3
59.01363	0.4
59.23412	0.3
63.19508	0.3
65.00311	0.4
70.41498	0.8
74.02489	0.4
79.95294	0.7
79.95747	10.4
79.96213	0.6
80.96545	0.7
81.55938	0.3
93.03490	0.5
93.15280	0.3
94.98091	1.0
95.95273	1.7
96.96023	79.6
97.73503	0.3
99.17105	0.4
112.41431	0.4
117.03445	0.6
119.05051	1.4
122.97591	4.9
123.04633	0.4
133.02931	1.3
135.04547	0.6
136.98859	0.5
142.84940	0.4
152.27641	0.4
175.03973	0.6
179.07144	0.9
189.05688	0.4
199.03946	0.6
207.06651	1.6
230.90756	0.4
369.10150	2.6
369.19547	100.0
370.10065	0.5
370.19766	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	369.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
61.98844	0.5
64.75200	0.4
68.81582	0.4
71.01395	1.2
72.99320	0.4
73.02943	0.5
75.00890	0.8
78.95905	5.8
83.01443	0.5
83.06170	1.2
85.02973	1.2
85.07748	0.3
87.00877	0.3
95.05003	0.4
96.96011	3.5
96.96980	1.2
101.02480	0.6
112.08826	0.6
113.02477	1.0
114.05634	2.2
129.99991	0.6
130.08739	1.0
131.08276	100.0
132.08679	2.4
139.00018	0.6
146.70021	0.3
150.05315	1.9
152.91762	0.7
154.01064	0.8
156.07803	6.6
159.78954	0.3
161.04520	0.4
168.01518	1.7
173.10448	56.7
174.10814	2.1
185.00613	1.3
194.93819	0.7
196.05788	19.3
197.05934	2.2
198.02538	0.4
205.05724	0.4
207.08842	0.4
210.02548	2.1
220.06960	1.3
221.05203	0.4
225.08351	0.5
227.05154	1.6
244.07892	0.8
264.09418	0.5
272.09937	0.5
273.99069	0.4
291.01883	1.9
292.00146	3.0
293.10968	0.6
309.01825	0.5
309.14352	0.5
310.13727	12.4
311.14038	1.8
314.70258	0.3
318.10538	0.8
327.16415	3.5
328.16479	0.7
335.13269	4.2
336.13391	0.8
352.03333	0.3
352.15912	14.7
353.16122	2.1
369.13971	0.5
369.18625	5.8
369.22504	0.6
370.18753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10076	1.8
57.03459	1.9
59.01379	4.3
65.00328	6.3
65.49489	1.5
65.72728	1.4
68.99821	3.2
69.03458	1.6
71.39992	1.8
72.04565	2.2
81.03436	2.2
82.02991	7.4
83.01383	2.0
95.01424	4.4
96.34918	1.7
97.02927	2.3
98.02467	6.5
99.00883	11.6
107.05057	2.6
109.02972	4.3
110.00116	10.8
111.00893	2.3
119.05065	3.0
119.99816	2.0
121.02969	2.9
123.00910	3.3
123.04508	2.7
124.01652	5.9
126.01971	3.3
132.02159	2.3
133.02934	5.1
135.00867	2.8
135.04451	2.1
136.01590	1.9
136.98819	6.1
137.02525	2.1
137.99554	2.2
139.00369	3.2
143.05019	1.9
144.02992	1.7
146.03690	1.9
147.04539	2.1
149.02464	2.1
152.01099	2.8
157.06567	2.1
160.01668	2.5
164.98289	7.0
165.99062	9.4
166.99898	2.2
170.79936	1.9
171.04449	2.4
173.06064	6.1
175.04025	4.1
177.02002	10.7
178.05096	2.2
179.06989	2.1
185.06081	3.6
199.07610	1.8
204.03160	2.1
211.07608	1.9
222.06889	2.3
225.05556	6.6
227.07169	4.9
237.09190	4.9
239.07138	4.4
240.07956	10.4
240.10036	1.9
243.06624	20.1
253.04984	3.0
255.10005	2.4
263.07254	3.0
265.05026	2.2
268.07462	6.1
269.04504	17.2
270.05325	6.2
271.06149	19.9
279.06747	2.3
280.07382	5.3
281.08160	16.7
283.09799	3.7
288.61475	1.9
293.08221	2.0
296.06894	5.4
307.06082	15.1
308.06897	6.8
309.07553	3.5
311.09225	3.5
321.07690	2.3
322.08545	2.8
323.09201	11.7
324.06299	6.5
324.09760	4.9
335.79639	1.8
337.10901	1.7
338.11639	10.6
338.15320	1.9
339.08713	29.6
339.12268	2.8
340.09015	4.1
352.08356	8.2
354.11133	25.4
355.11264	2.7
369.13281	19.7
369.19000	1.8
370.09335	100.0
370.13315	3.4
390.82349	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	370.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53209	1.0
59.01374	3.0
65.00323	1.6
66.03496	1.3
68.99814	3.8
69.43256	3.2
73.02949	1.1
79.02340	1.0
89.53466	1.1
90.03506	9.9
91.01904	11.4
93.03461	3.4
95.01403	7.8
100.07704	0.9
108.02156	1.4
110.02531	1.4
117.03471	8.5
118.03009	7.0
119.01413	3.4
119.05038	100.0
120.05368	5.8
121.02951	1.3
133.02950	4.7
134.02507	8.6
135.00883	7.4
135.04535	14.6
136.98836	1.2
137.02444	1.7
138.01985	36.3
143.05035	3.1
145.03012	6.0
149.02443	1.1
159.04597	1.4
161.02431	1.4
162.01991	15.1
163.00398	25.8
163.02422	1.3
163.03970	1.3
163.99867	7.1
167.03587	1.5
167.05019	4.0
169.06622	1.0
177.01883	3.3
178.01454	25.2
180.03035	2.1
180.05780	1.6
181.06619	2.2
187.04013	30.8
188.04333	1.5
188.98309	2.0
193.06598	2.2
206.00955	54.2
207.01358	3.2
208.05397	5.2
209.06171	9.5
218.36009	1.0
219.04420	1.9
220.05258	1.1
235.03964	1.5
236.04967	1.8
236.85028	1.0
237.05562	15.0
249.99931	3.4
253.05125	2.2
255.06485	1.1
267.02960	1.2
269.06818	2.6
281.04581	10.0
283.06100	5.2
298.07291	3.9
308.05722	2.0
309.04117	5.6
324.05283	1.4
326.06717	40.0
327.07071	3.7
342.06119	2.1
353.10339	4.9
370.05676	86.8
370.09619	4.6
371.05972	11.7
371.11234	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	370.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23318	0.4
59.01369	1.5
61.98825	0.6
65.00330	6.2
67.01871	0.7
68.99812	1.0
69.03442	1.1
69.13624	3.0
70.02988	0.6
71.01369	0.8
72.04536	0.8
73.02922	0.5
79.01884	0.6
81.03455	3.4
82.00601	1.9
82.02984	8.7
83.01387	2.3
85.02910	0.5
89.03951	0.9
91.01901	0.5
92.99787	0.9
93.03468	1.0
94.00522	0.5
94.02979	0.9
95.01401	4.1
96.00906	0.6
96.02148	0.5
96.99315	1.2
97.02954	1.6
97.15480	0.4
98.02478	8.8
99.00884	15.1
99.02788	0.4
100.04045	3.1
105.03448	1.8
107.01373	1.2
107.05033	1.6
108.02189	1.5
109.02983	2.8
109.99382	0.9
110.00097	12.2
110.02455	0.7
111.00305	0.4
111.00901	4.8
111.04521	1.9
113.02396	0.6
116.03536	1.7
117.03496	0.8
120.99284	0.6
121.02972	2.3
123.00894	3.8
123.04529	2.2
124.01688	7.3
124.04006	0.7
125.02452	1.3
126.01974	3.6
130.04239	0.5
131.05023	0.9
132.04501	0.6
133.02971	4.3
134.02530	0.7
135.00890	2.1
135.04515	1.4
136.00571	0.5
136.01653	1.3
136.03978	0.8
136.98830	6.5
137.02426	1.9
137.99649	2.9
138.01955	2.2
139.00385	4.6
141.01944	0.6
141.07138	0.6
143.05051	0.7
144.03032	3.4
145.06578	1.6
147.04504	2.3
148.01741	0.5
149.02449	2.9
149.06085	1.2
150.03255	0.8
150.05519	0.6
151.00427	0.6
151.03995	2.0
152.01163	4.3
152.03464	0.6
157.06602	2.3
159.00916	3.3
161.02467	1.3
164.98306	6.6
165.00575	0.7
165.99091	7.7
166.99904	2.4
167.03458	0.7
169.06548	0.7
171.04503	1.2
171.08099	1.1
173.06058	6.4
174.01941	0.6
175.04034	2.5
175.05293	0.4
176.03537	1.0
177.01941	9.5
178.05078	0.9
178.67259	0.4
178.99898	0.8
180.03029	0.7
180.06682	0.6
181.06577	1.3
183.08138	1.0
184.05263	0.5
185.06087	2.5
187.07617	1.2
190.02699	0.6
193.01482	0.6
193.04956	0.6
193.10219	0.6
194.04543	0.5
195.08182	1.3
197.06110	1.3
198.04234	0.5
199.04083	0.9
199.07642	1.1
201.05528	1.2
202.01373	0.5
202.99898	4.8
209.06075	1.1
209.09621	0.8
211.07553	1.4
213.05573	1.4
213.09230	1.2
214.06104	0.5
215.07104	0.6
219.08159	0.6
220.02547	0.5
223.07713	0.6
224.04892	0.6
225.05595	5.2
226.06259	0.6
227.07162	4.1
229.05037	1.0
235.07533	0.7
237.05363	0.7
237.09186	3.2
239.07224	2.8
241.05055	1.7
242.05745	0.5
243.06618	22.0
244.07030	1.9
248.01997	1.5
253.05086	2.9
253.08673	3.0
254.05540	0.7
254.08611	0.4
255.10167	0.7
263.07132	1.8
264.05136	1.1
265.05035	2.4
265.08719	0.8
266.03058	0.5
267.06473	0.5
269.04520	15.2
270.05206	6.0
271.06091	31.0
272.06485	2.5
278.08499	0.5
280.09882	0.8
281.08194	15.4
281.11255	0.8
282.08426	1.4
306.07709	1.7
307.06119	19.1
308.06473	1.7
308.09515	0.9
309.07849	0.6
324.08859	2.5
325.07187	0.8
326.10263	1.3
328.08179	2.6
352.08289	6.1
353.08850	0.6
370.09296	100.0
371.09628	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	370.0932
Annotation	Nedocromil
Peak:m/z	Relative Intensity
63.93400	0.9
65.00323	3.3
66.00821	1.0
69.17914	5.1
69.18316	1.7
74.95850	0.9
81.03463	2.0
82.00629	2.1
82.02994	6.8
83.01385	1.3
84.41431	0.9
88.40702	0.9
92.99804	0.9
93.03466	2.2
93.16910	0.9
94.13697	0.9
95.01385	3.0
97.02958	1.4
98.02485	6.3
98.21948	1.7
99.00886	14.3
100.04036	3.0
105.03479	1.1
107.01466	1.0
107.05009	2.2
108.02206	1.9
109.02937	2.2
110.00103	9.6
110.51392	0.8
111.00892	5.1
111.04525	1.3
116.03582	0.9
121.02988	2.6
121.87940	0.9
123.00871	2.6
123.04522	2.2
124.01697	5.0
126.01987	4.4
131.05040	1.2
133.02965	4.5
135.00941	1.2
136.01610	1.3
136.98785	4.8
137.02415	1.2
137.99597	2.0
139.00374	4.1
141.01941	0.9
144.03035	3.7
147.04559	2.6
149.02464	3.4
149.06111	1.2
151.04028	2.4
151.70436	0.9
152.01117	4.5
157.06610	1.3
159.00827	2.4
159.04466	0.9
164.98317	4.0
165.99057	6.8
166.99841	1.9
171.04541	1.0
171.08147	1.3
173.06032	5.1
175.04079	2.5
177.01964	15.8
180.03056	1.1
181.06673	1.6
185.06052	1.9
197.06140	1.9
199.04128	1.0
201.05511	1.2
202.01480	1.1
202.99866	2.7
209.06038	0.9
211.07651	2.1
212.60019	1.2
213.05513	1.4
225.05612	5.7
227.07152	4.2
237.05716	1.0
237.09259	3.3
239.07101	2.8
241.05081	2.2
243.06660	19.1
244.07083	2.3
248.02011	1.2
253.05049	2.3
253.08716	2.3
263.07132	1.4
265.04977	1.5
269.04572	7.3
270.05295	6.2
271.06119	25.5
272.06436	3.1
281.08197	14.9
282.08426	2.1
291.12332	1.0
306.07623	1.4
307.06165	17.5
308.06381	1.8
308.09528	1.2
324.08841	2.1
325.06848	1.0
326.10226	1.3
328.08185	2.4
346.03418	1.0
352.08307	3.9
361.95557	0.9
370.09338	100.0
371.09674	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	370.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88709	1.9
54.64454	2.0
65.00334	6.9
66.52723	2.1
68.99809	2.3
69.14094	11.8
69.14469	3.8
71.09877	1.8
79.01890	2.6
81.03455	2.7
82.00585	2.1
82.02979	13.5
83.01404	1.9
88.95806	1.9
92.99797	1.8
95.01382	4.4
98.02482	10.8
99.00887	24.5
100.04065	6.5
105.03462	2.8
105.84750	2.1
107.05038	2.3
109.02977	5.8
110.00112	20.3
111.00916	7.0
111.04545	2.8
116.03564	3.0
121.02937	2.9
123.00953	2.5
123.04602	3.6
124.01676	7.0
126.01970	4.1
133.03006	5.8
135.00891	3.0
136.98810	7.1
137.02463	2.3
137.99615	5.3
138.01994	2.9
139.00375	4.9
144.03085	2.6
147.04544	2.7
149.02525	4.6
149.06273	2.4
152.01222	9.8
157.06581	4.0
161.02658	2.1
164.98303	8.9
165.99097	14.3
166.99849	4.3
173.06122	9.0
175.04013	5.3
177.01955	20.8
180.02986	2.3
185.06087	2.6
199.07764	2.2
202.99887	7.2
205.01439	2.2
209.06194	2.6
213.05579	2.1
213.09218	2.8
224.99849	2.0
225.05586	7.9
227.07211	9.5
229.05157	3.0
237.09273	4.3
239.07053	4.5
241.05074	2.7
243.06636	31.6
253.05092	7.5
253.08893	4.2
263.07181	3.1
269.04642	13.6
270.05347	12.4
271.06152	38.9
272.06625	3.5
281.08197	23.5
307.06137	26.6
308.06473	2.2
324.08890	3.5
328.08545	2.1
337.59439	2.1
352.08389	4.6
361.83957	1.9
370.09357	100.0
371.09595	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	370.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	2.2
68.01391	1.3
68.99822	53.9
69.03432	1.1
69.78700	3.2
74.82580	0.9
79.01897	14.3
81.03454	1.5
82.02998	2.0
83.01357	0.9
86.02483	57.9
86.97411	0.9
93.97330	0.8
94.02994	1.2
95.01395	1.7
98.02480	1.8
99.00900	2.6
107.01391	2.2
110.00114	3.3
111.00882	10.2
111.04574	1.1
117.03488	1.4
119.05021	1.5
123.00879	1.9
124.01697	5.3
126.01978	1.5
133.02977	1.1
135.00874	2.7
136.01663	3.1
136.04042	1.1
136.98784	2.8
137.02350	1.1
139.00357	3.5
145.06624	0.9
148.04031	3.6
151.00388	15.8
152.01134	4.3
155.08604	1.3
157.06584	1.0
164.42091	1.0
164.98318	1.5
165.01942	2.3
165.99100	2.1
166.99800	2.0
171.04529	2.9
171.08136	1.1
172.04826	1.1
173.06094	3.3
177.01953	2.8
178.99878	16.8
180.00293	1.2
183.08101	0.9
185.06075	2.2
192.00722	1.5
193.01457	2.2
193.06613	1.1
195.08081	1.7
197.06107	2.1
202.99893	1.4
211.07730	5.2
213.05556	3.7
220.02457	1.4
225.05580	2.5
227.07101	3.5
237.05721	1.3
237.09290	1.1
239.07158	6.9
241.04964	1.6
241.07040	1.3
243.06621	17.1
244.06978	1.6
248.02089	2.9
253.04959	2.8
253.08736	1.0
255.06660	16.3
256.07022	2.1
259.34845	1.1
263.06985	1.5
265.05106	2.2
269.04605	4.1
269.07993	1.7
270.05194	3.1
271.06131	49.1
272.06479	4.8
281.08279	6.6
283.06134	37.8
284.06497	4.3
290.08231	1.1
297.07639	1.9
299.09030	1.6
307.05957	4.4
309.07678	3.5
324.08618	1.1
325.07224	9.3
326.07474	1.2
327.08331	7.2
328.08771	1.9
352.08340	5.6
353.06677	100.0
354.07010	10.0
370.09293	42.6
371.09537	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	370.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59588	0.9
59.01384	1.4
59.46434	1.1
60.21184	0.8
65.00332	8.5
68.99801	1.0
99.00903	1.0
110.00124	1.8
111.00945	1.1
117.03526	1.0
119.05067	1.3
124.01759	1.0
127.05560	2.6
136.98866	1.7
139.05585	1.9
150.19548	1.0
162.02107	0.9
164.98369	1.2
167.05060	7.9
171.04549	15.9
172.04953	1.4
173.06125	1.0
177.01964	1.8
195.04524	8.5
201.05670	0.9
211.03917	1.5
239.03529	50.7
240.03912	4.3
243.06776	1.4
267.03070	3.4
269.04532	1.3
271.06216	2.5
281.08353	1.8
301.08755	4.9
307.06253	1.5
343.09787	48.7
344.09930	5.9
352.08527	1.4
370.10886	100.0
371.11298	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	370.1298
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
59.01350	0.6
65.00282	0.9
65.99807	1.4
69.14046	2.8
75.95215	0.5
81.02163	0.5
82.02940	0.8
83.01315	0.6
90.09119	0.5
95.01370	0.6
96.00871	0.8
98.02441	0.9
98.21912	1.3
99.00843	0.6
109.01638	2.2
110.00082	1.0
110.02450	2.9
111.00923	0.6
121.01633	1.9
122.02452	0.8
123.03255	4.2
134.02512	3.3
135.03285	6.4
136.00412	2.5
136.98735	1.4
137.01173	0.6
138.01912	1.9
139.02747	0.6
148.03940	0.8
151.02757	4.0
155.02225	1.0
164.98344	0.7
165.00679	7.2
165.99033	0.6
166.01396	1.2
171.04428	0.9
171.08115	0.5
173.06163	0.7
175.00325	1.2
177.01872	0.8
178.01549	0.6
180.96106	0.6
192.03027	4.9
199.07811	0.7
200.07141	1.1
224.07178	0.9
225.05611	0.9
226.08723	3.0
228.06682	1.6
239.03342	0.7
242.08234	45.5
243.06519	1.8
243.08742	3.4
251.07098	1.0
252.06624	1.2
266.05807	0.9
267.02988	1.0
268.06119	1.8
269.04443	1.2
269.06970	4.6
270.07724	100.0
271.08212	8.3
279.06683	0.9
281.08121	0.6
294.05362	0.6
298.08212	1.3
298.14334	0.6
307.06125	3.5
308.13052	0.7
324.09128	0.6
324.12604	1.2
326.13986	3.5
339.08749	1.5
352.08148	0.9
370.09216	6.2
370.13052	53.0
371.13559	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	370.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52911	4.6
54.64434	4.7
60.61153	4.3
65.00332	9.3
71.41704	4.7
88.76567	4.9
98.39828	4.9
105.96301	5.3
113.53139	6.1
114.21489	5.1
136.98811	6.5
149.09747	5.7
163.11292	100.0
164.11746	11.4
164.98366	7.6
177.09254	13.2
193.08801	9.3
194.09166	5.2
195.09959	6.2
197.05731	6.1
201.94339	5.4
217.12378	15.4
218.12755	14.9
219.17302	5.0
231.56432	5.1
241.05089	6.2
243.06590	5.7
267.03003	17.5
269.04477	7.2
271.06137	5.9
285.00394	8.5
285.03857	6.6
338.22742	9.6
352.20203	9.7
353.21353	13.8
370.09268	15.6
370.21405	68.3
371.22186	12.6
381.75040	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	370.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58277	1.1
56.80235	1.2
58.26024	1.0
59.01384	100.0
65.00330	13.3
70.70360	1.2
71.01376	1.2
72.18900	0.9
72.99313	1.7
81.03458	1.2
82.00610	1.2
82.02991	3.2
92.99859	2.1
95.01393	1.6
95.60867	1.1
96.99330	2.7
100.04061	1.3
109.02966	1.4
110.00111	8.1
111.13789	1.0
119.05078	1.5
120.99343	1.0
123.00808	1.2
123.04488	1.5
124.01692	1.5
128.07127	1.1
130.85757	0.9
131.00273	1.0
134.03766	1.5
135.04527	2.4
136.98831	10.7
137.99646	2.3
139.00420	2.0
144.22322	0.9
147.04529	1.2
152.01149	3.8
164.98305	23.9
165.99104	7.0
167.03479	2.7
171.04530	1.2
177.99129	1.4
181.06613	1.1
199.03932	1.4
208.06201	1.6
225.05708	2.0
227.03355	1.1
238.19456	1.4
241.05104	5.1
243.06613	5.9
269.04553	56.5
270.05127	9.3
271.06107	18.6
272.06393	2.4
281.08145	1.7
283.09207	1.5
284.09460	2.0
290.01370	1.0
307.06226	1.0
310.25296	1.3
338.06650	1.0
342.79630	1.2
352.08316	1.7
370.09290	7.8
371.09818	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	370.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58178	0.8
57.03452	1.9
59.01387	100.0
60.01722	1.4
65.00335	14.8
69.03457	1.0
71.01385	6.6
72.99287	1.3
73.02956	6.8
74.29963	0.8
79.95743	1.4
81.03476	2.1
82.00594	2.2
82.02991	2.9
83.01383	2.3
83.05033	1.3
85.02965	3.5
87.00880	1.3
89.02462	3.8
92.99819	1.9
93.03463	1.8
94.03017	1.3
95.01402	2.7
96.95993	1.0
96.99297	3.2
97.02951	1.1
98.22626	2.2
99.00869	1.4
100.04059	1.4
101.02448	7.4
105.03474	1.0
107.05041	1.8
108.02143	1.2
108.04590	1.3
108.99303	1.5
109.02929	1.7
110.00105	10.5
110.02467	1.8
111.00944	1.1
111.04556	1.6
113.02462	3.7
116.57243	1.0
117.03508	2.0
119.03542	1.1
119.05011	1.4
120.31367	0.9
120.99383	1.5
123.00908	1.8
123.04488	2.3
123.08137	1.0
124.01712	1.9
125.02440	2.2
126.01946	1.4
133.02994	1.1
134.03737	1.6
135.04509	2.8
136.01654	1.3
136.04047	1.2
136.98828	11.4
137.99605	3.4
138.01997	4.4
139.00366	0.9
143.05060	1.2
145.06589	3.8
148.04149	1.2
149.02499	1.1
149.06128	2.7
151.04080	1.8
152.01175	2.5
153.01544	0.9
157.06606	1.1
159.04616	1.0
160.04022	0.9
161.02484	2.5
164.98311	31.6
165.99123	6.9
167.03514	4.1
169.06625	1.1
171.04549	2.0
171.08276	0.9
173.06099	2.0
175.04097	1.1
177.01987	2.3
177.05603	1.4
177.99075	2.0
178.05101	1.7
185.06055	1.6
197.06078	2.3
199.04106	1.7
208.06303	1.4
213.05524	1.6
220.02454	1.3
220.06015	1.8
221.04573	1.3
221.09729	1.5
225.05557	2.1
227.03474	0.9
227.07498	1.0
237.09155	1.0
238.19328	1.2
239.07233	2.3
241.05084	8.8
243.06628	8.3
248.01962	2.8
264.04865	1.3
265.08627	2.7
269.04578	73.0
270.05130	10.2
271.06143	25.8
272.06491	2.2
281.08206	2.1
283.06305	1.2
307.06152	1.3
308.09372	3.0
309.07614	2.1
311.11398	1.5
326.10419	3.9
327.05099	1.4
327.08984	1.4
327.14526	1.1
352.08249	9.6
353.08481	1.1
370.08972	9.1
371.04062	1.3
371.09076	3.1
371.13477	4.8
371.17343	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	371.0984
Annotation	Randioside
Peak:m/z	Relative Intensity
51.62412	0.3
54.05577	0.2
57.03448	0.8
59.01381	2.1
63.33078	0.3
65.00328	0.6
69.03474	0.5
71.01389	1.6
71.41765	0.3
73.02943	0.3
81.03464	5.9
83.01383	3.1
85.02959	1.0
87.00894	1.6
90.72898	0.3
93.03475	0.7
95.01405	0.5
95.05054	1.4
97.03011	0.5
99.04508	0.3
101.02449	0.3
102.98592	0.4
109.02957	0.9
111.00895	3.5
113.02445	0.4
117.03490	0.4
119.05080	0.6
120.98866	1.4
121.02999	0.5
123.04535	40.7
124.04895	1.2
125.02455	4.8
128.03563	0.3
130.08755	2.6
131.01405	0.3
133.02962	1.7
135.00905	0.3
135.04517	1.8
137.02443	1.6
139.03998	1.0
149.02396	1.5
149.06136	0.3
151.00389	1.7
151.04033	1.4
153.01953	0.9
154.26768	0.3
161.04565	0.7
163.04012	1.8
163.59651	0.3
165.01949	0.3
165.05527	0.5
165.96806	0.3
166.02730	0.6
167.03506	100.0
168.03839	4.6
173.02625	0.3
175.00386	1.4
177.01865	0.3
179.03510	1.4
180.04303	0.7
180.10352	0.8
181.05093	3.1
187.04070	0.3
191.03511	20.8
192.03825	1.5
193.05075	0.5
197.13051	0.3
209.04550	10.2
209.08218	0.9
210.04868	0.6
221.04485	2.6
223.10829	0.3
233.04546	0.4
241.11922	0.3
249.06194	1.3
251.09271	1.1
273.03882	0.4
327.08963	0.6
328.18491	0.3
353.10382	0.3
354.20334	0.6
354.28012	0.3
370.57709	0.3
371.05484	1.3
371.10468	4.1
372.11136	0.5
372.21506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.4
71.01389	1.6
71.14091	0.7
73.02948	1.0
79.89648	0.5
83.01363	0.5
85.02943	1.0
88.04058	0.5
101.02456	0.7
106.68861	0.5
107.01403	0.7
108.02186	68.0
109.02523	2.0
113.02448	0.8
118.23923	0.6
123.04539	26.9
124.04850	0.7
130.08804	0.8
133.02997	2.0
135.04607	0.8
147.94484	0.5
152.01170	53.4
153.01534	2.1
166.02763	0.6
167.03511	100.0
168.03879	4.7
175.04158	0.7
177.01968	1.1
206.92117	0.5
209.04498	0.7
371.10172	3.7
371.26733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70061	0.4
53.27707	0.3
55.88486	0.4
59.01386	2.0
62.55128	0.5
70.93133	0.4
71.01378	1.1
71.41824	0.4
78.95943	0.4
85.02978	0.4
85.04083	0.5
91.21661	0.4
103.12024	0.4
108.02184	2.6
109.02969	0.5
115.92146	0.4
117.03484	1.1
119.05060	0.5
123.04572	2.0
124.01685	1.4
128.03468	0.5
129.04213	1.4
130.08771	1.3
133.02988	1.1
134.03760	0.6
135.04529	7.4
149.02541	0.7
151.00400	1.1
152.01167	92.9
153.01508	3.5
165.05525	0.4
165.09225	1.0
166.02760	0.5
167.03508	100.0
168.03836	4.1
172.98727	0.4
176.01109	0.6
177.04131	0.5
191.03503	1.0
200.32898	0.4
209.08142	0.5
210.29300	0.4
292.27557	0.5
293.31476	0.4
321.48404	0.5
327.08719	0.6
371.10052	2.2
371.22803	0.5
371.26920	0.5
372.15887	1.4
387.92026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
59.01388	2.6
65.00320	0.8
69.45526	2.3
71.01402	1.2
71.05035	1.1
73.11272	0.5
81.03008	1.0
81.03471	14.6
83.01416	3.3
85.02991	0.8
93.03464	1.2
95.01422	0.6
95.05042	7.7
97.02979	4.9
99.04533	13.5
105.03472	0.6
108.02193	0.6
109.02987	0.8
111.04536	1.8
119.05002	0.8
121.02947	0.6
122.02541	1.3
123.04539	6.7
125.02470	35.8
126.02802	1.2
127.05151	0.9
133.02916	1.2
135.04561	1.2
137.02477	6.5
139.04051	5.4
145.06233	0.8
149.02461	0.6
151.04030	1.7
153.05525	0.5
165.05559	0.7
167.03523	100.0
168.03836	3.9
174.03249	0.7
175.04010	1.8
179.03560	1.8
196.14529	0.7
197.04584	22.3
198.04990	1.2
201.01997	1.5
203.21463	0.5
209.04665	2.4
209.08116	0.6
215.99675	0.5
237.12064	0.6
251.05643	18.3
252.06030	1.7
263.05682	0.6
269.06696	1.0
277.41965	0.6
281.06625	4.8
287.07791	9.5
288.08069	0.6
309.11517	0.6
328.22012	0.5
331.82864	0.6
353.09546	0.6
371.09875	13.4
371.23065	0.7
372.10263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01384	12.3
69.03441	1.2
69.45203	3.6
71.01385	2.4
73.02949	1.8
82.95405	0.8
83.01405	1.1
85.02945	1.3
89.02459	1.0
95.01379	1.4
101.02476	1.2
109.02962	13.9
111.00905	2.2
117.03457	1.4
119.05009	1.0
121.02987	1.3
121.06609	1.1
123.04519	4.0
127.05162	0.8
130.08804	1.1
132.02159	1.8
133.02972	75.7
134.03406	2.6
135.04538	8.0
137.02467	1.0
137.06079	1.0
145.06604	1.7
147.04506	1.0
149.02449	1.2
149.06111	3.4
151.04031	2.8
153.01898	0.8
158.03719	1.2
161.02432	2.7
163.07695	2.6
165.04369	0.9
165.05556	5.3
165.09216	1.4
167.03502	4.8
173.06076	4.0
174.03244	1.3
175.04076	6.0
177.01912	3.7
187.04071	1.5
189.05571	1.7
191.07182	8.3
193.05064	0.9
193.08742	1.4
194.93640	0.9
199.03865	1.0
201.01941	1.4
201.05630	1.1
209.08224	4.2
211.03952	0.9
217.05035	8.0
217.08734	0.9
227.03578	2.7
229.05154	2.0
235.09695	0.8
239.07013	0.8
251.09245	4.9
253.04980	1.9
254.05859	1.7
255.03035	1.0
255.06735	1.2
255.10289	2.4
257.08215	1.2
261.07758	1.1
265.08759	2.0
266.05774	1.0
269.04486	3.2
273.04007	1.3
280.03809	1.4
281.04907	1.6
281.08221	7.4
282.05371	1.0
282.08459	1.0
283.09830	2.9
291.06659	1.4
297.07724	9.9
298.04810	1.5
298.08014	1.0
299.05798	0.9
299.09232	2.7
309.07751	11.3
310.08047	1.7
325.10907	3.0
327.08749	30.9
328.09149	2.6
353.10294	15.6
354.10718	1.3
371.11383	100.0
372.11697	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.114
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
57.03479	0.6
62.49778	0.6
67.78238	0.5
69.86246	1.3
69.86572	1.1
77.60324	0.5
93.07100	0.7
96.36427	0.5
98.21935	0.7
106.00514	0.6
108.02155	1.1
109.02976	11.2
117.03485	2.0
125.85475	0.7
132.02200	1.0
133.02972	55.4
134.03658	2.3
135.04555	10.4
145.06659	1.1
148.52702	0.6
149.06088	1.7
151.03998	1.9
159.04535	0.8
161.02577	1.3
163.07730	1.4
173.06120	3.0
174.03252	1.3
175.04048	7.0
177.01967	1.4
187.04044	1.6
189.05577	1.0
191.07129	4.0
199.04131	0.6
201.01837	0.6
201.05579	0.8
203.03561	0.9
217.05029	5.1
217.08698	0.6
227.03635	1.2
253.05083	1.3
255.03151	1.3
255.06651	1.6
257.04361	0.7
257.08514	0.9
261.07874	0.7
265.08661	1.3
269.04617	1.4
273.04041	0.8
281.04855	1.3
281.08234	3.1
283.06433	0.7
283.09915	1.5
291.06732	1.6
297.07733	2.8
299.09262	0.8
301.10931	1.2
309.07742	6.2
310.08035	0.8
325.10770	1.9
327.08801	5.8
327.12305	1.2
353.10327	4.8
354.10727	0.9
371.11395	100.0
372.11768	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	371.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60649	0.7
58.25874	0.7
69.32922	4.1
73.65092	0.7
81.74660	0.7
87.04520	1.4
93.03500	1.4
107.05073	0.9
109.02966	3.6
115.04018	7.4
117.03476	59.8
118.03828	2.6
123.04539	3.0
126.50216	0.7
133.02975	0.9
135.04524	5.8
135.08170	1.2
137.06078	6.6
139.04016	1.3
147.04561	0.9
148.47064	0.7
151.04027	12.7
159.04526	10.2
161.09714	4.7
163.07651	4.2
171.34607	0.8
185.02440	3.8
187.07634	2.0
189.05692	1.0
191.07159	2.2
191.16794	0.9
201.05579	3.9
205.08798	4.3
211.07562	1.2
231.06688	0.8
233.08192	17.3
234.08470	1.1
235.06255	1.3
237.05551	6.8
238.06232	1.1
239.10890	0.8
257.08167	2.1
265.08813	1.5
281.08456	1.2
281.11719	1.3
325.10666	2.0
327.12204	1.3
353.10327	100.0
354.10678	13.3
371.11377	14.6
371.18961	2.2
372.11707	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	371.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38578	0.9
59.01388	28.3
70.08273	2.2
76.75017	0.9
86.65443	0.9
90.42899	1.0
94.77075	0.9
109.02965	17.3
110.03281	0.8
111.00871	3.1
115.88064	1.0
119.33104	0.8
121.72965	0.9
132.02187	1.3
133.02977	69.7
134.03375	2.8
135.04561	1.7
145.06606	1.6
149.06114	2.2
151.04070	3.3
159.04512	1.1
161.02434	2.2
163.07675	1.4
173.06129	2.9
174.03261	1.4
175.03986	6.7
177.01939	2.8
187.04068	1.0
189.05530	1.6
191.07146	6.0
193.08739	1.7
193.12677	0.9
201.02049	1.5
209.08116	1.1
217.05066	7.4
218.31786	1.1
227.03574	2.1
229.05176	1.7
235.09909	1.2
251.09413	1.0
253.05167	1.7
255.02728	1.0
255.10278	1.7
265.08673	1.1
269.04599	2.2
281.04715	1.6
281.08200	4.4
283.09866	1.8
284.29651	0.9
291.06763	1.1
297.04639	1.8
297.07739	10.8
298.08115	1.7
299.09314	1.9
299.12491	1.0
301.10971	1.5
309.07770	10.4
313.57272	0.9
325.10904	1.9
327.08771	21.0
327.12671	1.2
328.09171	2.9
353.10349	12.7
354.10474	1.1
371.11395	100.0
372.11697	12.2
392.98416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1141
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
58.01745	0.6
59.01382	0.7
63.33088	0.6
69.03461	1.4
69.42155	1.7
69.42558	1.2
85.02959	0.5
93.03464	1.3
95.01389	1.2
95.05041	0.7
97.06596	0.7
105.03480	0.7
108.02220	0.7
109.02972	11.5
111.00952	0.7
115.04031	1.8
117.03497	5.0
119.05050	1.3
120.23224	0.7
121.06614	1.0
132.02213	2.0
133.02979	84.7
134.03380	2.7
135.04558	8.2
137.06143	1.2
145.02966	0.7
145.06584	1.3
149.06111	1.3
151.04042	5.9
159.04527	1.4
161.02490	4.1
162.03131	0.6
163.07671	1.8
165.05637	1.2
173.06062	2.3
174.03255	1.4
175.04053	8.2
177.01990	1.7
183.04404	0.8
187.04109	1.5
187.07729	0.7
189.05585	0.9
191.07155	3.6
201.02072	0.7
201.05655	1.4
203.03564	0.7
209.08244	1.6
211.04134	0.7
215.03493	0.8
217.05029	4.7
217.08746	0.7
219.06801	0.8
224.04878	0.8
224.08432	0.8
227.03534	2.0
229.08719	1.1
235.09839	2.4
239.07069	0.6
239.10753	1.0
240.04147	0.7
243.06824	0.7
253.05046	1.9
254.05814	0.9
255.02963	3.2
255.06631	1.9
257.04547	1.1
257.08243	1.4
263.07224	0.9
265.08749	2.2
269.04584	1.4
273.04034	1.7
279.10068	0.6
280.03729	1.2
281.04565	2.9
281.08234	4.5
281.11298	1.0
283.06631	0.8
283.09793	2.6
291.06717	2.5
292.07242	0.9
297.07874	3.4
301.10831	1.3
309.07712	7.6
309.11343	1.5
310.08328	1.1
325.10870	4.3
327.08871	5.9
335.09326	0.7
353.10352	18.1
353.14694	1.0
354.10458	2.2
371.11404	100.0
372.11722	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	371.1141
Annotation	Asplenetin
Peak:m/z	Relative Intensity
51.33793	0.6
52.55659	0.5
56.14032	0.6
59.01368	1.0
65.00337	0.8
67.01878	1.6
69.49623	2.7
78.84196	0.5
83.01389	0.9
86.08517	0.6
93.03480	0.9
95.01443	0.7
98.22760	1.0
109.02964	17.2
111.00912	0.7
115.04024	1.4
117.03458	2.6
117.67966	0.6
119.05060	1.1
122.03761	1.1
123.04563	0.6
123.08165	1.7
132.02205	2.3
133.02974	69.3
134.03365	2.3
135.04550	16.0
136.98848	1.1
137.06148	0.6
137.09758	2.0
139.02454	0.7
139.07716	1.0
146.03777	1.2
147.04552	1.5
149.06107	1.5
150.03223	0.7
151.03999	2.3
159.04543	1.8
159.13023	0.6
161.02460	1.6
163.04071	0.6
163.07585	0.8
163.11290	0.8
164.04768	1.1
165.05592	1.4
165.09224	12.1
166.09579	0.7
171.04521	0.6
172.05284	0.9
173.02380	0.7
173.06111	2.3
174.03233	2.9
175.04022	18.5
175.05501	1.2
177.01953	5.0
183.01225	3.6
185.06126	0.8
187.04030	0.9
188.04846	1.1
189.09225	2.9
191.07182	1.1
191.10783	1.0
192.80838	0.6
193.08719	5.7
197.02708	0.8
199.04045	5.5
200.04698	0.7
201.01976	1.5
201.05595	1.3
203.03523	3.6
207.06721	1.0
207.10280	6.2
209.08237	1.6
209.89684	0.7
211.04138	0.6
214.06485	0.7
216.04320	2.4
217.05106	8.9
217.08702	2.3
227.03458	1.4
229.05042	0.7
229.12354	3.7
233.08205	1.7
235.06117	0.7
235.09767	6.8
243.03024	2.7
245.04590	1.2
255.03105	1.0
256.03827	0.9
261.07745	2.1
271.02509	4.3
273.04196	1.0
273.11353	23.9
274.11713	2.3
297.11319	2.0
299.12988	1.8
301.10977	1.5
315.12411	12.0
316.12830	1.7
325.10776	1.8
327.08795	0.8
327.12366	2.1
343.11938	12.8
344.12256	1.8
353.10489	3.4
371.11392	100.0
371.18262	9.1
372.11761	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	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03443	5.5
58.04095	2.7
59.01386	100.0
60.01722	3.3
63.86194	1.8
65.00328	14.2
65.85233	1.8
67.01883	2.3
69.03450	3.7
69.51691	8.8
70.31506	1.8
71.01023	3.6
71.01391	40.1
71.05006	3.3
72.00910	3.3
72.99313	6.5
73.02949	17.0
73.71931	1.8
75.00882	3.2
79.95746	3.4
80.96532	4.5
81.03460	10.7
81.96415	1.9
83.01392	8.9
83.05048	3.4
85.02944	20.5
87.00876	4.8
89.02442	14.2
92.99826	2.6
93.03483	12.9
94.02992	2.5
95.01406	7.6
96.96019	2.6
96.99328	3.7
98.21959	4.2
99.00853	2.7
99.04514	3.5
101.02437	21.8
105.76292	2.3
106.02995	3.0
108.02189	3.3
108.04575	3.5
109.02986	2.6
109.06552	2.1
110.00091	8.4
111.00916	2.5
113.02465	25.2
118.98084	3.2
119.03512	5.3
119.05028	4.2
120.99632	4.4
121.02924	2.8
121.06598	3.4
121.53172	2.0
123.04559	4.4
123.08121	2.7
125.02484	3.1
125.06091	3.1
133.02986	2.6
134.03758	14.3
135.04558	22.6
135.08113	2.5
136.04044	8.6
136.98851	11.6
137.02464	5.0
137.06151	4.2
137.09782	2.1
137.10834	4.3
137.99245	2.5
138.10490	2.2
139.07648	2.1
145.06628	12.1
147.04562	2.9
149.02464	4.6
149.06097	15.5
151.04068	3.7
151.07642	3.7
152.01201	3.1
152.04796	2.3
157.06548	2.7
160.04070	3.5
161.02440	2.8
161.04485	2.5
163.07631	2.5
164.98328	30.7
165.09254	3.3
165.98775	9.3
166.18471	2.5
166.99728	2.3
167.03496	8.9
167.07153	4.9
171.04575	3.2
172.07658	1.9
173.06107	3.9
177.05664	2.5
178.05115	40.0
179.03548	1.9
179.05522	2.2
179.11920	8.6
187.07620	4.9
195.08083	3.2
204.11317	2.3
207.08174	2.5
213.05655	2.6
215.07146	4.0
222.04085	37.7
224.04591	2.2
225.05637	2.4
227.07121	3.0
237.09218	2.7
239.07216	4.7
241.05112	6.4
242.05363	4.8
243.06619	6.6
244.06927	6.9
253.05045	3.1
265.08578	4.8
266.08862	2.4
269.04572	50.8
269.07495	3.0
269.10245	2.2
270.04935	43.7
271.05984	14.4
272.06512	18.8
283.06195	2.7
283.09616	3.7
285.15961	10.8
286.16092	2.2
309.10022	2.9
309.13217	2.7
311.11343	21.1
312.11948	2.9
327.04962	2.2
327.14734	3.6
327.18054	9.9
329.12512	5.7
344.07547	2.1
353.08521	4.1
353.12411	3.7
354.14249	2.4
371.03949	4.6
371.09317	14.4
371.13373	20.3
371.17273	10.9
372.07095	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	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
57.03437	1.9
59.01384	100.0
65.00324	1.7
69.03440	1.2
69.04158	0.9
69.59735	4.0
71.01388	40.6
72.99309	4.9
73.02952	45.3
81.03444	1.4
83.01392	12.0
85.02964	12.8
87.00871	1.1
87.15662	1.0
89.02449	19.1
93.04590	1.0
95.01377	3.7
97.02921	1.1
99.00863	1.4
101.02447	34.0
113.02466	20.7
115.81626	1.0
117.09564	1.0
119.03529	7.2
125.02456	1.6
131.03502	2.3
133.02878	1.2
133.04060	1.4
134.03741	17.4
143.03542	2.0
145.04068	3.8
147.82185	1.3
149.04819	1.8
149.06073	16.8
161.04573	4.4
163.05161	1.8
164.98306	2.6
167.07074	1.4
239.30864	1.0
269.04550	7.8
270.05124	1.4
271.05927	1.8
291.11426	1.5
311.08090	1.6
311.11374	17.3
312.11685	2.4
329.12402	10.5
371.12466	4.8
371.16757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1502
Annotation	(-)-3,4-dimethoxy-3,4-desmethylenedioxycubebin
Peak:m/z	Relative Intensity
65.00323	1.0
69.12688	3.6
69.13089	1.7
78.01109	5.2
81.03476	1.3
83.01424	1.8
83.05030	2.5
91.01899	1.8
92.02701	4.0
95.08672	1.3
108.02161	7.1
109.06572	1.3
110.00132	1.4
111.08162	3.2
117.03486	1.0
123.00904	1.6
124.01700	3.7
133.06589	3.8
135.07201	1.5
135.08179	24.4
136.01657	10.0
136.08531	1.1
137.02420	1.1
137.99556	1.1
143.05031	1.2
149.02473	5.3
149.99628	3.0
151.00314	0.9
152.01196	4.4
157.06639	1.2
163.00383	2.7
163.04030	1.8
163.07661	2.4
164.01202	5.7
164.98369	1.1
165.01979	5.1
167.07146	5.2
171.04619	1.1
172.77339	0.9
173.06110	2.4
177.01949	1.5
177.05583	7.5
179.07104	3.9
179.95042	0.7
189.05580	1.3
191.03471	1.2
191.07101	1.9
192.00734	1.9
192.07935	9.1
193.08618	0.8
195.08223	1.6
198.06912	1.0
204.07974	1.6
205.01472	0.7
205.05075	16.5
207.06630	28.4
208.07054	2.7
210.06937	1.1
212.04861	0.9
220.07410	9.3
225.05582	2.1
226.06311	2.4
234.08928	1.5
235.06126	19.2
236.06590	1.7
238.89032	0.9
240.07906	4.8
243.19705	1.1
251.14433	1.7
253.05231	0.9
253.12402	2.4
254.05823	1.4
267.14063	0.9
268.07385	3.4
269.04672	1.1
269.11850	3.8
270.05411	0.9
277.12405	1.3
283.13406	3.3
293.11804	4.4
295.13437	4.0
296.07010	1.5
297.11346	3.3
311.12915	71.5
312.13199	7.7
321.11285	12.7
322.11691	2.4
339.12381	94.6
340.12711	10.7
371.15012	100.0
372.10675	1.1
372.15366	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	371.1503
Annotation	(-)-3,4-dimethoxy-3,4-desmethylenedioxycubebin
Peak:m/z	Relative Intensity
50.32411	1.2
57.48696	1.3
59.40957	1.1
65.00332	2.6
78.01122	4.9
83.01395	1.4
89.83801	1.2
91.01873	2.0
92.02693	3.2
108.02180	7.6
110.00110	2.1
111.08166	3.3
124.01672	3.7
133.06645	3.8
135.08179	24.7
136.01671	11.0
136.98801	2.2
137.02498	1.8
137.99608	2.5
143.05080	1.7
149.02451	4.5
149.99615	3.8
152.01164	3.8
163.00349	2.9
163.07655	2.7
164.01207	7.2
164.98328	2.4
165.01917	5.8
165.05627	1.4
167.05034	1.8
167.07159	4.1
177.05576	6.2
179.07176	5.0
191.07121	2.3
192.00708	2.0
192.07957	7.6
195.08258	1.3
198.06920	1.5
205.05095	16.8
207.06636	22.9
207.08438	1.8
208.06995	2.1
213.05624	1.7
220.07442	8.2
225.05540	2.4
226.06355	2.5
235.06129	21.9
238.06523	1.4
240.07915	4.1
249.12938	2.1
251.14426	1.4
253.12486	1.6
254.05931	1.6
268.07425	1.5
268.39584	1.4
269.04553	4.5
269.11856	4.2
283.13412	4.7
287.05850	1.6
293.11865	3.9
295.13422	4.9
297.11227	2.2
311.12936	72.5
312.13287	8.3
321.11380	10.7
322.11826	1.8
339.12396	98.9
340.12714	11.8
371.15039	100.0
372.15390	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	372.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66493	0.7
65.00325	1.2
67.01883	1.1
68.12921	0.6
68.99795	0.9
70.02978	3.1
80.01392	0.8
83.01402	1.2
94.02988	2.7
95.01395	1.2
96.00927	1.7
98.02477	16.9
98.99635	1.1
110.02537	1.1
111.00893	1.6
114.02000	6.2
117.03473	1.2
119.05032	12.5
120.00915	0.9
121.02982	0.8
122.02497	11.3
123.00883	1.0
124.00401	2.9
124.04050	1.5
126.01995	2.0
133.02934	0.8
138.01991	21.3
139.02539	1.0
140.03569	2.7
142.01477	7.5
143.05034	3.9
145.06609	1.1
147.15381	0.8
148.04050	0.8
150.01961	4.7
151.02525	0.7
151.99832	1.2
154.05159	1.5
154.85011	0.7
156.03064	7.0
158.04591	4.5
164.98338	1.6
166.01479	100.0
167.01819	4.3
171.04454	0.9
180.03070	0.7
182.04608	0.9
184.02550	3.3
190.34525	0.7
194.00981	5.6
198.05733	0.8
204.75400	0.8
213.05641	0.8
218.01102	0.8
226.03589	61.8
227.03899	3.3
250.05165	0.9
255.06558	0.9
268.06207	1.8
269.04532	2.9
294.04471	0.8
312.05109	12.2
313.05524	1.8
326.10449	1.4
340.04565	3.0
340.08261	0.9
340.50723	0.8
350.34943	0.7
372.07025	23.0
372.10962	3.9
373.07635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47970	1.1
59.01083	2.8
59.01382	46.0
61.98838	3.0
64.79718	1.4
71.39869	1.6
72.00916	1.9
81.59943	1.1
82.99926	1.6
87.00834	1.7
87.21701	1.2
101.00984	2.1
101.02432	2.0
115.02518	5.5
117.00449	28.6
118.00500	1.6
128.07184	13.0
130.08751	57.1
131.09129	2.0
141.00438	1.7
143.02008	1.8
143.71895	1.1
144.99947	3.0
157.03564	1.9
159.01497	33.6
160.01729	2.8
163.54109	1.2
168.01642	1.3
168.05316	1.2
172.00969	6.4
174.99547	2.9
176.98000	1.7
178.30188	1.2
183.01576	1.8
187.01057	1.5
188.07895	2.0
196.05893	1.7
201.02542	5.0
202.98976	1.7
210.06279	5.0
212.07764	5.0
217.00507	10.1
228.07317	30.4
229.07510	3.6
230.08852	100.0
231.09044	10.0
241.00545	2.8
245.00008	12.4
246.00255	2.0
259.01605	21.0
260.01724	2.4
272.09912	14.3
273.10220	2.0
274.09772	3.0
287.01102	12.8
288.01151	2.6
354.08948	78.3
355.09131	18.2
372.09995	66.1
373.10172	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	372.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67584	1.1
62.74872	1.0
69.23251	2.8
69.23661	2.2
70.58376	1.0
73.13640	0.8
77.03986	1.7
81.03468	1.1
91.01889	3.9
98.02523	1.2
105.02179	1.6
106.25416	1.0
123.04444	1.1
131.03802	5.8
138.01929	1.0
141.70949	1.0
148.04024	1.6
149.00043	1.7
149.01184	20.8
149.02435	21.3
149.73761	0.9
158.02504	3.0
163.03957	1.2
164.03549	17.0
165.03905	1.4
166.01511	5.7
170.05673	0.9
171.04520	1.2
173.06126	1.0
175.02724	2.4
190.05080	5.8
192.03038	53.3
193.03307	3.5
202.01489	7.0
210.04109	27.0
211.04424	1.7
220.02480	1.0
224.05663	100.0
225.06024	5.2
226.03534	3.9
234.04103	5.7
235.04553	1.0
266.06720	53.7
267.06970	3.1
312.05026	1.3
318.13754	1.2
322.63101	1.1
326.10364	4.3
354.09863	4.7
372.10938	25.3
373.10901	4.2
373.16528	1.7
382.88614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47089	0.9
61.98835	100.0
84.14162	0.9
89.14253	1.1
92.11981	1.0
96.96027	1.5
115.88039	1.1
117.45743	1.0
118.54649	1.0
119.05065	1.3
126.03763	1.0
135.04524	2.1
241.14214	1.0
288.99942	1.0
358.06863	1.1
372.11639	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	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79318	33.9
61.98826	29.4
69.63206	46.2
98.22633	55.8
115.92113	53.7
119.05051	64.6
132.50452	34.2
135.04544	100.0
136.04919	45.3
140.07239	31.4
149.53270	28.5
221.96643	26.3
263.55435	42.9
372.11853	41.7
373.10971	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93312	42.4
70.66074	100.0
74.03224	45.8
98.22297	79.6
102.17180	52.9
126.66563	45.6
136.18213	53.8
138.08029	45.0
154.96873	42.8
185.42931	47.7
265.65109	50.9
280.32932	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	26.8
69.69692	63.2
83.93416	20.5
94.94736	19.5
97.48484	22.1
104.38299	19.3
116.92880	42.7
148.55469	20.3
164.98366	56.8
177.56371	22.5
203.16823	21.5
269.04498	100.0
372.10953	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40437	0.8
52.23654	0.8
59.01382	1.2
65.00346	1.6
68.99827	0.9
69.38072	1.7
69.38480	3.2
75.02435	1.1
78.00618	0.8
79.95750	2.3
80.37295	0.8
89.00349	2.5
97.06587	0.8
98.21844	1.6
99.00893	2.5
109.02985	1.3
113.00355	3.9
116.99844	0.9
117.03481	51.5
118.03813	3.8
119.05036	7.7
121.03001	1.7
123.04562	0.9
124.97987	5.4
126.04613	0.8
129.01146	4.8
133.02966	2.0
134.03705	0.9
135.03503	1.3
135.04541	13.8
136.04857	1.8
136.98816	1.6
138.99516	1.3
142.70596	0.8
147.04472	1.1
148.98007	1.4
151.04027	1.4
152.97556	1.4
154.99083	1.4
156.94939	0.9
157.00589	2.3
161.02454	3.4
165.03499	2.4
168.97003	4.4
170.94931	1.1
176.97484	4.2
177.03505	3.2
180.96989	2.6
182.98543	6.0
184.98814	1.3
185.02466	16.2
186.98058	2.0
192.96994	3.7
193.02997	4.4
196.96451	1.3
197.02571	1.0
205.03017	4.2
209.02490	1.7
210.98058	69.8
211.09811	1.6
211.98383	4.0
217.01483	1.8
220.96509	7.7
221.02419	8.8
222.02834	1.5
233.02402	7.9
234.02751	0.9
237.07654	1.1
237.68535	0.8
249.01933	9.7
250.02336	1.4
261.02051	1.6
267.99344	1.2
269.00037	2.4
270.32434	0.9
277.01422	1.2
281.04559	1.2
284.99609	2.9
295.02219	1.0
295.98883	1.0
296.99521	5.8
305.00739	1.0
311.12500	1.0
312.99066	5.7
329.13889	1.1
337.03647	1.1
340.98618	20.1
341.98785	2.4
345.01788	6.4
355.11761	4.0
373.01215	100.0
373.12430	7.9
374.01572	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	373.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
57.03443	6.7
59.01385	36.3
61.98825	4.6
67.01895	3.5
68.99807	1.9
70.70424	1.8
71.01393	29.2
72.99319	10.6
73.02946	6.4
75.00873	9.4
78.01114	2.7
83.01385	3.8
85.02959	56.5
85.03475	3.0
87.00884	8.1
89.00324	4.9
89.02460	6.8
91.01907	1.8
95.01404	16.9
99.00880	11.4
101.02459	4.0
103.00413	8.1
106.00620	6.3
110.00117	3.9
111.00900	6.3
113.02463	87.5
114.02792	2.8
115.00404	3.1
117.01942	5.6
121.02969	60.7
122.03299	1.8
123.00851	2.8
124.04014	2.2
125.02412	1.8
129.01945	2.4
131.03523	2.5
133.01424	3.4
134.03766	2.5
135.04550	2.8
137.02391	2.0
137.99562	2.5
138.03259	5.4
138.46223	1.7
139.00354	4.5
149.77206	1.7
150.05649	2.6
152.01158	1.7
153.01958	41.1
153.05595	37.0
154.02666	2.5
157.01414	2.0
160.46429	1.7
161.02429	9.6
167.03506	6.3
168.04292	19.9
169.05099	11.7
175.02493	15.8
178.02751	2.1
182.02229	1.8
193.03549	16.9
193.05168	3.0
197.04567	100.0
198.04953	3.5
211.06180	2.7
212.05649	3.4
265.01453	2.0
279.83066	1.7
306.66949	2.0
373.11487	4.5
374.08795	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	373.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00360	1.0
68.20277	0.2
69.51357	0.6
69.51739	0.6
69.93678	0.3
102.97247	0.2
106.51216	0.2
110.00114	0.4
119.05038	1.7
121.03024	0.4
135.00905	0.5
135.04550	0.7
136.98814	0.6
145.02994	0.3
147.00903	0.6
149.74059	0.3
151.00516	0.4
153.01959	0.8
156.02209	0.3
161.02480	0.7
162.03227	2.1
163.00377	1.3
163.04041	0.5
164.98318	1.4
165.99100	0.9
169.03072	0.5
177.05620	1.1
180.00723	0.9
185.02457	2.0
187.00395	6.2
188.00870	0.3
189.01920	0.4
197.02406	2.2
198.03241	0.6
199.03981	0.4
212.04829	0.5
213.01942	8.7
214.02426	0.6
217.01367	0.7
221.08139	0.5
224.01289	0.6
225.02028	0.8
226.02618	0.6
227.03464	2.5
228.04272	1.7
229.01433	7.3
230.01894	0.8
238.02831	0.3
239.03418	0.4
240.04387	0.6
241.01445	32.8
242.01787	2.4
243.02991	0.9
243.06654	0.4
244.03757	1.8
245.04597	0.5
254.02211	0.3
255.03065	1.6
256.03787	25.9
257.00958	7.6
257.04095	2.3
258.01385	0.9
259.06158	1.5
261.04117	0.4
268.00201	1.3
269.00949	1.7
271.02557	1.1
271.06161	3.2
272.03284	3.1
273.03662	0.5
282.01666	0.4
283.02512	0.6
284.03369	1.0
285.00430	11.6
285.03702	0.5
286.00815	0.9
287.05624	1.7
297.00479	0.7
297.04004	0.6
298.01233	0.6
299.02158	2.3
300.02783	8.8
301.02905	0.6
312.02786	1.0
312.99973	9.3
313.03506	1.0
314.00647	0.5
314.04260	1.4
315.05124	19.3
316.05466	2.1
325.03546	0.7
327.01404	2.6
328.02261	21.4
329.02554	2.2
329.06616	0.8
341.03064	0.4
342.03812	1.7
343.04593	100.0
344.04904	11.4
355.11966	0.5
357.06177	3.4
358.06952	69.4
359.07294	8.4
373.09283	84.1
374.09644	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17360	2.6
55.81444	3.0
71.06133	3.8
82.87566	3.3
100.93366	3.8
115.92075	5.7
116.92097	3.4
119.05021	8.7
135.04556	4.2
174.74394	2.8
185.02525	4.4
213.01971	7.4
229.01454	10.1
241.01546	28.2
244.03665	3.7
256.03766	25.4
257.00931	5.3
285.00616	7.1
300.02808	5.6
315.05164	17.8
328.02258	11.2
343.04584	81.2
344.04929	8.3
358.06973	100.0
359.07242	9.6
373.09219	43.2
373.13272	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	373.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
57.03445	1.1
59.01386	7.3
64.21671	0.4
64.45751	0.5
65.00322	1.1
69.03470	0.8
69.18410	3.1
71.01386	14.2
73.02953	5.5
83.01402	3.0
85.02961	6.6
87.00886	25.6
89.02461	2.2
93.03490	1.1
95.01384	1.4
98.21937	0.8
99.00914	1.7
101.02456	9.5
102.02754	0.5
107.01394	1.5
109.02951	0.8
109.29712	0.5
113.02465	6.7
117.03473	4.9
119.05046	4.4
123.02760	100.0
124.03098	3.5
125.02461	4.1
133.02988	1.0
135.04539	1.8
136.98792	0.5
145.03035	0.5
149.04308	1.9
151.00366	3.9
153.01848	0.6
159.02994	1.6
161.02457	1.9
161.04579	10.8
164.98335	1.0
165.09293	0.5
176.49191	0.5
193.03285	4.8
205.07204	0.6
211.04257	0.7
216.02432	1.4
222.95435	0.4
249.06160	14.8
250.06522	0.9
285.04028	0.9
292.03040	3.4
292.53235	0.9
309.04123	0.6
341.06723	0.6
355.11862	1.4
373.09372	12.2
373.13171	1.8
374.09891	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12415	0.6
55.14015	0.7
59.57204	0.7
60.54411	0.6
65.00323	0.7
66.08756	0.7
68.99827	1.5
69.09512	2.9
69.09927	1.3
78.01113	10.4
83.01395	6.9
94.23888	0.6
94.50350	0.5
95.01403	0.6
110.00087	2.5
115.05571	2.5
127.05614	0.9
131.70757	0.6
136.01698	0.7
137.99609	4.1
139.05565	0.9
141.07126	2.6
143.05043	8.0
143.14360	0.6
145.06635	1.4
149.99602	2.6
153.07106	0.7
167.05028	16.3
168.05396	1.6
169.06601	8.0
173.06104	2.4
177.99088	1.2
181.06619	3.7
197.06111	3.3
198.06805	3.2
201.05673	1.4
209.05997	0.7
212.04785	3.7
213.05589	5.0
225.05602	8.3
226.06383	22.0
227.06767	2.6
238.06339	1.3
239.03534	8.6
240.04047	0.9
241.05081	16.2
242.05498	1.4
254.05887	14.0
255.06400	1.5
269.04578	7.5
282.05313	0.9
283.11371	2.1
287.10663	0.9
299.10782	1.2
303.10260	2.2
317.11633	1.5
327.10248	6.6
328.10556	1.2
329.11908	1.4
345.11334	27.3
346.11728	4.3
355.09714	6.0
373.10843	100.0
374.11130	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	373.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	4.4
65.63988	0.5
68.99812	1.3
70.96677	0.9
84.63706	0.6
117.03484	1.0
127.05542	1.7
129.07103	1.2
131.05060	9.1
141.07130	1.4
145.06583	2.4
148.09416	0.6
153.07100	6.4
155.05049	25.5
156.05479	1.1
157.06636	0.6
159.04547	1.5
169.06587	2.0
171.04510	6.5
173.06075	6.2
181.06638	1.1
182.07240	0.9
185.06079	1.4
197.06119	6.4
198.06909	2.9
199.03957	1.1
201.05463	0.6
209.06149	1.1
210.06778	0.9
212.04730	1.0
213.05568	2.8
219.76395	0.8
224.08423	0.8
226.06451	3.3
231.11826	1.2
235.11391	0.7
241.05092	14.1
242.05295	0.8
254.05885	2.5
259.11261	4.3
267.06653	5.8
275.10776	1.6
283.11432	0.9
284.33694	0.6
299.10834	1.1
301.12289	3.5
303.10272	9.7
304.10611	1.3
317.11896	2.7
330.08813	0.8
345.11331	100.0
346.11661	14.9
373.10837	84.7
374.06689	1.1
374.11160	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	373.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75987	0.6
59.01378	0.5
65.00333	1.3
70.86060	0.6
93.03497	1.8
101.03973	1.3
117.03464	3.2
145.03003	4.1
155.33699	0.8
156.46240	0.7
157.06644	1.2
167.05069	4.7
169.06673	1.4
173.06120	1.3
180.05855	2.3
181.06572	1.9
182.03831	1.3
183.04527	1.9
184.05341	1.6
185.06104	3.0
195.04568	1.0
196.05270	2.3
197.06075	5.0
198.06895	0.8
199.07686	0.7
201.05640	0.7
208.05333	0.7
209.06006	1.1
211.04102	0.8
213.05756	0.7
223.07681	1.3
225.05580	4.2
226.02753	4.8
236.04758	2.7
237.05525	5.7
240.04321	4.8
241.04915	1.3
255.06642	0.9
256.08890	4.1
257.09750	7.6
258.10031	0.9
269.04510	2.4
269.09784	2.1
270.05081	0.9
272.08380	2.0
273.09192	3.3
280.06000	0.9
284.08411	3.7
285.09225	19.3
286.09839	3.7
287.10773	4.1
296.08517	1.5
297.09180	2.5
301.08713	1.4
301.12274	0.8
303.10394	0.8
311.10767	1.8
312.07996	3.1
313.08707	18.5
314.09082	2.1
315.10266	4.5
327.10281	1.0
329.11923	0.8
331.09763	7.8
341.08218	6.8
342.08560	0.9
345.11255	2.5
355.09390	0.7
371.09274	1.1
373.10846	100.0
374.06738	1.1
374.11148	13.9
380.21973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15331	0.4
54.04531	0.4
59.01387	5.0
61.98837	13.3
71.01379	1.0
71.40836	0.5
72.99305	0.6
73.02948	0.9
78.95900	3.4
81.35271	0.5
82.00583	2.2
83.01408	0.6
84.47844	0.4
85.02974	2.2
87.00882	1.0
88.04055	0.5
89.02422	0.5
92.92789	0.6
94.65157	0.4
96.00973	0.5
96.96002	0.5
96.97010	0.5
99.00909	0.5
101.02474	1.3
108.02211	0.9
110.00107	9.6
111.00895	1.5
113.02461	2.2
117.01985	0.9
120.28236	0.4
123.00921	0.6
124.01668	1.2
125.00054	0.6
125.02466	7.3
127.04080	0.4
127.05114	0.7
128.03531	1.6
137.99609	11.8
138.03310	0.6
139.00369	6.6
140.01256	0.8
145.06203	1.4
150.03200	0.5
151.00409	0.5
151.04073	1.0
152.01131	2.4
153.01958	100.0
154.02731	9.2
155.03500	1.9
161.04512	0.6
166.02666	0.7
166.16031	0.4
167.03499	6.8
168.04305	52.5
169.01469	0.7
169.05078	23.0
170.05418	0.9
171.07686	0.5
176.91045	0.6
176.98122	0.5
179.03583	0.8
191.03531	0.8
193.03566	0.6
193.05132	0.8
194.02295	0.6
210.02574	0.7
221.04472	0.6
238.41634	0.5
274.92035	0.5
279.04819	1.6
282.52621	0.5
299.07553	0.5
313.09604	1.1
373.11612	1.1
385.96362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98188	0.4
59.01381	3.9
61.98837	0.7
69.66623	1.4
71.01385	0.8
82.00603	1.8
85.02960	1.6
101.02477	0.5
109.02986	0.6
110.00114	8.0
111.00905	0.9
113.02463	1.7
117.03428	0.8
123.00913	0.6
123.04510	0.4
124.01673	0.6
125.02469	6.2
135.04526	0.9
137.02444	0.6
137.16779	0.4
137.99614	10.5
138.03244	0.7
139.00401	6.7
140.01192	0.9
144.64517	0.5
151.00426	0.5
152.01157	2.4
153.01955	100.0
154.02699	8.2
155.03496	0.8
161.02477	3.9
166.02736	0.8
167.03488	5.5
168.04297	37.5
169.01532	0.4
169.05080	16.4
170.05487	0.6
199.41891	0.5
209.04602	0.7
373.11508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51729	0.5
59.01381	2.9
69.68530	1.4
69.68887	0.6
71.01373	0.5
82.00605	3.0
85.02954	2.3
90.05413	0.4
110.00116	9.2
111.00909	1.0
113.02468	2.4
124.01720	0.7
125.02461	6.1
126.02768	0.5
137.02441	0.7
137.99599	11.3
139.00385	7.2
140.01205	0.7
141.85831	0.4
152.01132	2.2
153.01953	100.0
154.02748	9.7
155.03476	1.2
166.02658	0.9
167.03499	6.1
168.04291	49.7
169.05077	24.1
170.05417	1.1
179.03522	0.6
191.03548	0.8
196.03853	0.4
201.45978	0.4
281.06796	0.7
288.83060	0.4
309.60199	0.4
373.11469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Dercitamide
Peak:m/z	Relative Intensity
51.02390	0.6
52.04244	0.6
53.67213	0.6
55.01874	2.0
57.03445	1.3
59.01387	18.4
65.00343	1.0
66.01315	0.6
67.01892	1.8
67.09643	0.7
68.99812	1.2
69.03442	1.2
69.91785	1.4
69.92136	1.6
71.01387	14.6
73.02952	7.6
74.02515	0.8
75.00893	1.2
79.01920	0.7
79.95757	0.6
81.03456	7.1
83.01386	6.1
85.02951	9.8
87.00885	1.5
88.04046	1.1
89.02457	1.6
91.01905	4.0
93.03471	0.9
95.01392	4.6
96.99327	0.9
97.02951	0.7
98.22516	1.2
99.00909	2.4
99.92622	2.1
100.93380	2.1
101.02452	16.0
107.01395	13.7
107.05025	0.8
108.02203	8.5
109.02987	4.5
111.00892	3.0
113.02467	6.2
115.92091	2.7
116.92888	2.3
117.03474	1.8
119.05024	2.1
123.00894	3.7
123.04537	23.7
124.01650	1.3
124.04875	1.2
125.02454	8.9
128.03525	1.6
129.04166	1.9
130.08751	1.2
133.02980	1.1
134.03755	1.2
135.04541	51.6
136.01662	1.3
136.04871	2.3
136.98877	0.7
139.00354	1.0
141.10281	1.3
143.11966	0.7
145.06187	2.0
149.06064	1.6
150.94565	0.7
151.00389	20.7
151.03929	0.9
152.01172	11.3
153.01953	6.9
159.03015	0.8
161.02446	3.0
161.04599	2.4
163.04114	0.8
166.02745	2.8
167.03511	87.0
168.03862	3.8
177.05530	1.3
178.00183	1.0
179.03433	0.8
189.05573	0.7
193.05116	0.9
195.03098	3.1
200.14023	1.5
209.08299	0.7
211.09756	2.1
215.44331	0.7
223.08302	1.2
237.07780	2.6
251.05592	2.6
251.09277	1.0
275.05798	0.7
286.14258	1.1
292.03116	1.2
296.05429	0.7
300.98209	0.9
307.06848	0.9
311.13107	1.0
355.11807	1.9
357.01086	0.8
358.09064	6.7
373.11411	100.0
374.11783	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	373.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
63.37889	0.1
69.03468	0.2
69.42814	0.6
69.96351	0.2
90.31237	0.2
93.87173	0.2
94.89310	0.1
107.05038	0.7
108.02160	0.2
109.03000	0.2
117.03459	0.4
119.05067	0.2
128.96452	0.1
133.02962	0.5
134.03812	1.6
135.04541	100.0
136.04852	3.8
149.06013	0.3
151.03967	0.2
161.02499	0.3
211.09810	1.2
231.03864	0.2
237.07710	1.9
253.57468	0.2
285.04044	0.4
311.09195	0.2
313.03687	0.2
355.11813	0.6
373.12833	4.6
374.13239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1294
Annotation	3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone
Peak:m/z	Relative Intensity
51.76522	0.5
59.01371	0.3
63.96239	0.7
67.92906	0.4
69.31488	0.3
69.87537	1.1
79.95750	1.6
81.16441	0.3
89.53988	0.4
93.03458	0.4
107.05053	0.9
109.02935	0.5
117.03455	0.8
119.05052	1.8
134.03752	1.9
135.04541	100.0
136.04869	4.3
137.02426	0.5
139.07689	0.4
143.29434	0.4
144.21877	0.3
161.02509	0.8
167.07127	0.5
189.05937	0.5
209.08351	0.5
211.09818	0.7
237.07733	5.0
242.71552	0.3
355.11652	1.0
373.12936	5.6
373.16907	0.7
374.13339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.4
59.01389	2.7
63.96264	1.2
65.00341	1.6
69.03466	9.2
69.55357	2.4
69.55753	3.1
79.05551	1.2
79.95747	3.9
81.03459	4.2
83.01388	11.7
85.02950	3.2
85.06566	1.8
87.04521	4.2
88.44384	1.2
89.56438	1.3
93.03487	3.2
95.01427	2.9
95.05005	2.2
97.06605	11.5
99.04537	15.8
107.05037	1.7
111.00931	2.2
111.08183	1.3
113.06106	28.2
115.04018	19.6
117.03517	1.9
118.63987	1.5
119.05042	58.1
120.05427	3.0
121.02992	8.8
121.06644	1.6
123.04531	21.0
127.04018	4.1
127.07699	7.9
133.03040	1.3
135.04547	18.2
136.01642	9.4
136.98787	2.0
137.06114	3.7
139.04028	5.5
139.07712	2.4
143.05110	1.5
145.03040	1.8
147.04529	3.3
147.08214	1.3
149.06122	3.5
151.04021	100.0
152.04413	3.3
153.01959	27.8
155.07155	11.0
161.06071	2.2
163.04083	1.8
163.07674	3.1
165.05621	8.8
167.07159	5.0
179.07112	1.9
187.03964	2.2
189.05681	2.6
191.03496	10.0
191.07141	3.2
203.07166	1.9
207.06662	10.3
209.08270	4.2
223.09807	2.4
226.48779	1.3
231.10349	1.6
233.08139	2.0
235.06261	2.4
251.09258	92.3
252.09563	6.7
257.04620	2.6
269.80518	1.5
355.11948	16.5
373.12814	9.0
373.16858	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	373.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.9
57.56270	1.2
59.01383	17.2
59.01841	1.3
60.51998	1.2
65.00325	2.1
67.01880	1.6
69.03459	7.5
69.22002	2.6
69.22417	5.6
71.01372	2.8
72.30430	1.2
73.02947	2.3
83.01425	1.8
85.02965	2.6
90.16920	1.2
93.03474	21.5
95.01400	3.4
95.05006	3.6
97.06599	2.3
99.04549	1.4
101.02428	2.1
109.02946	2.5
109.06613	1.5
111.00903	1.4
113.02480	1.4
115.04017	2.2
117.03481	100.0
118.03827	2.9
119.05039	53.6
120.05413	2.8
121.02967	4.5
121.06605	4.4
123.04551	5.3
123.08182	3.2
125.02433	2.1
125.06058	2.7
130.08813	1.5
133.02934	1.7
133.06628	1.6
135.03537	1.6
135.04533	25.7
136.98895	2.1
137.02458	4.1
137.06110	3.6
139.04048	4.3
143.05040	1.7
145.02968	4.9
145.06670	2.1
147.04492	2.1
147.08162	2.3
149.06087	7.5
149.09734	1.4
151.04028	1.7
151.07654	2.8
159.04533	3.3
161.02461	32.7
163.04076	2.0
163.07639	5.5
164.98317	1.8
165.05550	3.0
165.09206	4.0
168.01492	1.8
170.50797	1.4
171.04515	2.7
173.06114	4.0
175.07561	1.7
177.05479	1.5
187.04053	3.9
189.05676	2.7
189.09201	2.3
191.03348	1.3
191.07141	6.0
193.08768	8.0
209.08200	1.9
211.09688	2.0
213.05539	2.1
229.05119	3.0
233.08220	2.1
235.06088	2.6
235.09848	2.7
237.05475	1.6
239.07069	3.4
239.10814	2.0
241.08720	2.6
257.04620	2.2
261.07623	3.4
265.08752	2.3
267.06952	1.2
267.10226	7.0
267.28833	1.3
285.04181	1.6
285.11496	1.6
292.03015	6.9
292.53128	1.5
293.03375	1.3
293.08517	2.1
293.11810	2.3
298.27756	1.5
309.11136	3.4
311.09317	3.4
311.12924	6.2
327.12503	1.9
337.10727	4.3
341.06586	1.6
355.11905	33.4
356.12225	4.9
358.32547	1.5
373.05850	2.2
373.12930	57.9
373.17020	4.1
374.13257	6.2
374.17419	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
59.01381	16.9
71.43837	1.9
83.97789	1.6
85.00439	23.7
91.02241	2.0
96.96001	10.6
121.10228	14.6
125.09732	8.4
185.11884	14.4
197.11931	2.5
207.10138	5.0
209.11948	2.0
211.13283	3.1
217.15895	2.1
219.69762	1.6
245.19131	6.9
246.19592	1.9
247.20595	1.8
265.14709	10.1
266.15219	2.5
291.19678	64.9
292.19971	7.4
313.17883	100.0
314.18192	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	373.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13916	1.5
59.01382	11.6
61.98828	2.5
68.74522	1.7
69.27458	6.6
71.89145	1.9
77.95075	1.6
91.01116	1.6
93.03497	3.3
98.21874	3.6
107.17847	1.6
112.22492	1.5
119.05032	2.6
121.84455	2.0
165.12854	24.0
201.55489	1.8
204.46794	1.5
242.14954	1.5
244.10860	4.5
247.20677	10.8
258.79166	1.8
273.18600	6.8
291.19672	100.0
292.19974	11.4
308.89563	1.7
313.17853	12.9
373.19937	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	374.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63898	0.3
51.15608	0.3
56.62331	0.3
59.01376	0.4
59.44127	0.3
64.01931	4.6
65.00327	0.6
65.99853	44.0
67.00174	0.4
68.99834	0.4
70.13872	0.7
71.18799	0.3
75.32433	0.3
83.01393	0.7
86.79721	0.3
88.01936	1.7
89.99861	2.0
95.66743	0.3
105.02199	0.5
108.00925	5.3
111.68678	0.3
119.05021	0.4
128.07253	0.6
132.00903	2.7
133.01724	2.6
134.02530	0.3
141.07103	0.4
148.00430	1.0
161.01167	1.0
163.18065	0.3
166.06561	0.3
169.06622	1.1
171.04526	4.5
173.06145	0.4
175.99904	38.3
177.00311	1.6
189.00728	3.1
194.06099	0.8
202.01515	0.4
208.07686	1.7
210.05653	1.2
212.07271	0.7
213.05663	1.5
217.00346	0.5
234.05728	0.3
236.07202	1.9
238.05104	5.5
239.05475	0.4
252.06682	2.1
270.01520	0.7
280.06168	100.0
281.06503	9.7
312.03589	0.4
359.02240	0.3
374.07831	54.9
375.08130	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	374.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69298	4.1
57.03452	33.4
59.01376	12.8
63.02752	3.8
65.00315	3.7
65.03949	9.1
68.99817	8.9
69.03452	3.5
69.20744	20.6
70.02966	3.5
71.01379	14.6
73.02951	4.3
74.99534	3.5
81.03465	40.1
82.02998	21.3
83.01394	5.8
83.05016	3.5
85.02953	33.7
86.61435	3.5
87.00887	7.2
93.03462	13.2
95.01378	18.1
95.05020	5.5
96.00896	9.9
97.02965	3.9
98.02484	29.7
98.22650	5.9
99.00893	15.9
99.04522	4.3
101.66214	3.3
106.02988	72.5
107.01357	3.5
107.05061	17.2
108.02181	5.3
108.04524	5.9
109.02964	100.0
110.02482	8.3
110.03232	4.1
111.00889	19.1
111.04538	10.5
112.00152	3.6
113.02494	23.5
113.03151	4.6
115.05505	3.5
119.05038	13.1
121.02948	13.3
123.00891	25.3
123.04523	10.0
124.01661	5.7
124.04043	10.2
125.02462	9.6
126.01993	32.2
127.00379	5.2
131.05046	17.6
133.02954	6.0
134.02472	5.7
135.04543	19.8
136.04048	11.5
137.02470	25.6
137.06111	6.7
139.00365	15.1
139.04015	7.4
141.01968	12.1
141.07118	4.7
145.06607	9.8
147.00876	5.7
150.01981	16.7
150.05649	10.0
151.00372	8.1
151.04016	21.2
152.03548	60.9
154.01430	7.9
154.05148	6.2
156.51175	3.7
159.04506	4.7
161.02406	15.3
162.01834	4.3
162.05554	3.7
163.00397	5.4
163.03993	21.2
165.01942	7.8
168.03084	4.0
173.06133	5.1
178.01486	30.2
178.99863	6.5
179.02190	7.9
179.03519	39.0
180.03018	12.2
185.06097	7.0
189.01926	6.7
189.17706	3.4
190.01474	5.4
192.00714	4.0
194.04573	7.2
196.02528	7.0
197.06163	8.9
197.09802	4.0
199.07643	4.5
201.05602	4.2
204.02953	4.7
207.03029	26.5
208.02597	10.8
222.04077	43.8
225.09282	8.5
226.03572	8.1
229.05070	8.2
232.02501	5.2
240.05113	5.7
241.08841	8.9
250.03587	54.8
251.03963	4.9
251.07079	4.3
257.08270	6.6
268.04602	11.1
269.04950	4.3
269.08215	20.9
310.07227	10.8
312.08847	51.7
330.09845	4.5
338.06696	7.8
356.08054	36.4
357.08026	5.6
374.08994	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	374.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86428	0.5
61.98835	100.0
71.39512	0.6
78.95891	0.6
89.78568	0.4
103.00972	0.5
125.00215	0.5
128.03592	0.7
138.53113	0.5
145.06181	0.6
162.94099	0.7
292.96991	0.5
344.01642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29452	3.1
52.57858	2.4
59.01387	8.0
61.98827	4.1
64.24918	3.0
66.03495	4.9
78.95908	7.1
82.03001	13.6
84.94324	8.7
86.94045	6.4
110.02493	42.8
111.02003	16.6
118.71918	3.0
122.02510	8.8
124.04125	3.2
126.98927	4.9
128.03613	3.1
128.93324	5.7
130.05051	3.4
130.08748	74.6
130.09590	2.6
130.93018	4.6
140.03590	6.4
152.03568	10.4
153.03038	5.4
200.05688	25.5
217.00343	9.0
243.06216	100.0
244.06602	4.6
256.96887	3.8
287.97696	4.1
368.64346	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	374.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45280	32.8
56.52919	32.6
59.01383	69.8
60.22593	26.8
61.47217	26.8
69.95445	100.0
72.86669	31.8
93.76492	30.6
115.79482	28.5
121.03252	30.3
155.38695	28.8
175.11029	29.6
215.61209	31.0
228.48154	28.9
277.12839	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30591	0.3
59.01387	2.5
61.98827	0.5
64.83761	0.3
69.62346	0.3
69.93631	0.8
88.75069	0.2
90.88726	0.2
101.06085	1.1
103.36394	0.3
114.93687	0.2
121.18558	0.2
124.07693	0.9
152.66370	0.3
164.05656	0.3
164.30180	0.3
165.10376	0.4
165.51849	0.2
174.99261	1.0
189.10365	0.8
217.00296	4.2
232.10910	10.7
233.11267	0.5
259.29550	0.3
289.17914	1.9
290.18741	3.2
316.16595	1.5
358.21408	1.1
374.24518	100.0
375.24820	14.7
375.28748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
60.74666	0.2
68.99811	0.6
75.55110	0.2
80.61592	0.2
86.66791	0.2
94.52376	0.2
95.82965	0.3
97.27747	0.2
101.04015	0.2
108.45346	0.2
121.02960	0.3
129.03481	0.4
133.02945	0.3
139.73219	0.2
143.01434	0.3
143.04990	0.3
145.02966	0.7
147.00883	0.9
147.04494	0.5
148.01695	0.6
149.02403	0.9
151.00671	0.7
157.02963	1.2
161.02425	0.4
163.00325	0.3
163.04016	0.3
171.00899	2.2
171.04475	0.9
172.01630	1.0
173.02455	1.8
174.02748	0.2
175.00403	0.6
177.01929	0.3
186.03169	0.3
187.00375	1.9
188.01076	0.4
199.00377	0.3
200.01169	1.6
201.01936	1.6
202.99901	0.6
214.02727	0.8
216.00575	0.7
217.01447	0.3
217.06619	0.3
219.08214	0.7
224.45273	0.3
226.99820	0.3
228.00662	0.4
229.01494	1.5
230.01912	0.3
233.06042	0.5
235.07651	0.4
242.02245	0.8
242.99287	1.5
243.99866	0.6
245.00813	1.6
245.06001	0.5
246.06587	0.5
247.07616	1.2
249.05716	0.3
253.01408	0.3
254.02348	0.6
257.06137	0.6
258.06808	0.3
261.05609	0.5
263.07184	1.0
269.00867	0.3
270.01596	0.2
270.98853	4.0
271.01599	0.4
273.00540	0.7
273.05566	0.5
274.06332	0.7
275.07214	1.5
277.05121	0.6
285.05603	0.6
289.04919	0.5
290.05807	0.3
291.06659	1.4
295.89386	0.2
298.01157	3.5
301.05014	1.3
302.05783	1.0
303.06668	1.8
305.04611	0.5
306.05280	0.2
312.50800	0.3
313.05197	0.3
314.05734	0.7
317.04526	0.9
318.05325	3.4
319.06116	3.7
320.06406	0.3
329.04568	4.3
330.05209	2.5
331.06104	1.1
345.04062	0.8
346.04700	2.1
347.05600	2.5
348.05685	0.3
352.52753	0.3
357.03961	2.4
358.04852	1.8
374.04507	1.5
375.05106	100.0
376.05438	12.8
376.10257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15442	1.1
57.03460	9.9
59.01388	26.5
61.98856	1.5
68.99850	2.3
69.03465	1.7
69.20180	1.1
71.01386	20.9
71.12160	2.1
72.99320	4.4
73.02957	1.7
75.00877	27.0
79.95754	1.7
80.96526	2.3
81.03463	1.4
83.01408	3.7
84.02176	1.1
85.02961	23.8
85.03474	1.6
87.00883	14.3
89.00340	2.1
89.02435	5.9
91.01923	1.9
93.03497	2.0
95.01409	4.6
96.96011	2.5
97.02969	1.9
99.00890	13.4
101.02468	4.2
103.00404	1.4
106.00649	4.0
109.02992	2.7
111.00882	9.2
112.36610	1.2
113.02490	2.0
121.02972	52.2
122.03284	1.8
123.00914	2.6
125.02447	2.6
127.00444	1.5
129.01959	19.0
130.02313	1.6
135.00888	1.5
135.04518	5.4
137.02461	13.6
138.03273	5.4
139.00414	4.7
139.04007	2.8
152.03445	1.3
153.05594	34.8
158.03740	1.2
159.03011	1.8
159.04512	2.0
161.02483	3.8
163.00449	2.1
164.98256	1.3
174.99387	2.1
175.04039	1.6
175.07707	1.4
177.04066	100.0
178.04454	3.5
181.01509	5.8
182.02237	4.3
183.03035	3.4
186.00729	1.1
188.21269	1.3
191.17654	1.1
195.05115	14.0
197.04570	84.2
198.04968	4.3
212.04919	1.4
217.00319	7.9
219.15228	1.2
224.03192	2.0
239.05690	4.8
243.06665	2.4
269.08017	1.4
287.05756	1.6
287.09323	2.4
293.12534	2.5
299.07877	5.6
331.12003	1.6
343.06934	1.3
375.09406	50.0
376.09921	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	375.124
Annotation	5-O-Methylchamanetin
Peak:m/z	Relative Intensity
59.01371	10.3
62.22134	2.5
64.59176	2.9
65.00315	5.8
66.81666	2.8
68.00281	2.8
70.91924	3.9
80.97990	3.0
89.60013	3.3
92.99816	3.6
93.03468	82.2
101.03993	3.6
115.05491	3.3
117.03484	23.4
120.99316	12.8
127.05527	9.8
139.05589	4.1
143.05038	14.8
145.02962	4.3
147.04478	2.9
151.05524	3.3
161.02467	2.8
165.07040	5.8
166.99808	3.0
167.05013	6.3
169.06618	6.8
171.04536	81.6
173.06111	3.7
176.98373	4.8
181.06580	4.8
184.05368	3.9
187.03978	7.0
194.92493	3.5
195.04565	24.9
197.06100	5.1
199.07655	2.8
201.05565	3.6
203.07138	9.6
207.08218	3.7
209.06073	9.9
213.05617	7.5
217.00360	17.0
221.06105	3.6
225.05618	20.6
227.07114	11.4
241.10388	6.6
251.07248	3.2
253.05032	12.7
257.09695	4.8
269.09677	15.0
271.11182	6.7
280.09024	3.4
281.04504	27.1
281.09607	6.7
282.05121	3.2
285.08978	3.5
287.10785	5.2
297.09180	13.0
299.10788	13.2
315.10266	6.1
329.11642	3.5
343.09735	13.0
347.19684	3.1
357.11349	100.0
358.11731	14.3
375.08331	55.5
375.12405	21.1
376.08948	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	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98824	2.6
69.67448	0.9
69.67791	2.5
71.01377	2.7
72.99311	0.8
73.02996	1.0
85.02949	1.2
93.03477	0.9
101.02464	1.3
107.05048	0.9
111.00884	1.0
113.02417	1.1
120.02182	2.2
120.99680	8.5
121.02914	0.8
123.04563	1.6
125.04682	3.3
132.93697	0.9
135.04543	2.2
136.03699	1.0
136.66220	0.8
138.03242	3.7
153.05589	53.8
154.05907	2.4
155.18126	0.8
161.02394	1.5
161.04562	3.4
174.99269	2.8
177.03992	0.9
178.95528	3.4
197.04503	1.1
217.00336	12.1
232.40897	0.8
237.07831	1.0
243.10197	1.0
375.09314	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	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	96.4
61.98841	9.9
71.01397	14.6
72.61433	1.7
76.12995	2.0
78.56535	1.7
78.95914	8.3
85.02959	5.1
89.02457	19.5
101.02477	6.3
105.11793	1.6
113.02462	7.2
117.03492	3.6
119.03518	6.0
132.98166	2.9
145.02974	9.1
146.03745	4.1
147.04474	3.9
150.04204	2.1
153.01933	2.4
161.02475	10.5
162.03212	13.1
174.99261	32.5
177.05589	7.5
178.96152	4.4
178.97684	2.1
179.05630	2.4
180.04337	4.1
195.06641	3.6
198.90707	2.2
212.03447	2.4
216.02162	3.2
217.00310	100.0
218.00748	3.3
276.93796	3.9
293.50073	1.8
298.00174	2.5
298.07147	2.2
306.40451	2.1
315.03107	2.8
339.13074	2.4
374.99454	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	375.1315
Annotation	Riboflavin
Peak:m/z	Relative Intensity
55.01879	0.7
56.89500	0.3
57.03467	0.4
59.01383	10.2
69.92655	0.9
71.01398	4.5
73.02944	0.8
83.01395	0.6
85.02945	1.6
87.00845	0.5
88.80552	0.3
89.02454	3.1
99.00901	0.4
101.02457	3.6
102.95920	0.4
110.79150	0.4
113.02510	1.7
114.05626	1.0
119.03527	1.6
119.05031	1.0
122.57297	0.3
130.08725	0.3
135.04546	0.5
138.64951	0.3
144.08171	1.3
145.07773	0.3
150.03223	0.8
155.08305	0.4
157.07726	0.4
161.04633	0.5
165.05515	0.8
169.07773	0.8
174.99217	0.4
177.09251	0.7
179.05614	0.4
184.08868	2.8
185.07234	0.5
197.05948	1.5
198.06728	3.4
200.07141	0.3
212.08316	20.5
213.08736	1.9
213.10768	0.3
217.00307	1.4
227.06805	0.5
240.06520	4.0
241.07320	10.1
242.07664	0.7
255.08896	100.0
256.09235	8.8
257.10562	0.9
261.05609	0.4
274.29071	0.3
357.11929	0.4
357.15732	2.2
375.12967	4.2
375.16669	6.7
376.13043	0.5
376.17148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1454
Annotation	Teusalvin B
Peak:m/z	Relative Intensity
52.32110	1.8
54.09578	1.7
57.03436	2.1
59.01384	13.0
59.76824	1.7
65.03967	2.3
69.03454	2.4
70.92635	1.8
73.52155	1.6
79.95768	2.9
80.96541	2.2
81.03472	5.8
83.05042	3.3
90.48424	1.6
93.03481	5.0
95.01398	2.7
95.05035	2.9
97.02966	3.8
97.06620	1.7
107.05049	3.2
109.02966	30.9
111.00893	1.6
111.04531	21.6
117.03481	2.1
119.05074	3.7
121.02956	3.1
122.03786	1.9
125.02464	9.0
131.05057	1.5
135.04599	4.9
137.02480	5.3
137.06134	7.6
138.03212	2.2
149.06088	3.5
150.03218	1.7
153.05597	17.2
161.09732	1.7
163.00252	1.8
169.05090	2.0
174.99231	2.1
175.11331	4.8
177.09160	1.6
185.09816	1.7
187.11359	2.9
191.07150	3.6
191.10843	3.2
201.09196	1.5
203.14407	1.6
205.12395	6.2
211.07805	2.1
213.09299	2.8
213.12878	10.2
215.14459	6.7
217.00310	14.1
225.09232	3.9
226.10016	9.9
227.10828	2.0
229.12399	2.9
231.06564	3.0
231.13850	7.7
239.10880	2.2
241.08682	5.2
241.12408	14.1
242.09529	14.9
243.06570	2.7
243.10197	2.4
243.13922	4.1
244.07202	1.6
253.08693	3.9
254.09459	3.4
257.08398	2.1
257.11957	4.5
257.15375	2.0
259.13394	12.0
260.13797	1.8
263.07523	3.1
269.11862	4.1
269.15463	3.6
271.09769	3.5
271.13315	1.7
275.16623	4.5
285.11472	4.9
285.14960	2.6
286.12177	3.2
287.12961	14.7
287.16330	3.2
297.11371	3.7
298.11823	1.8
301.14456	7.1
303.16049	5.4
313.10822	2.4
313.14407	2.9
315.12405	36.2
316.12836	3.3
319.15735	1.8
321.17145	2.6
329.13937	4.9
331.12030	2.6
331.15308	8.2
332.16034	2.2
339.05289	1.8
343.12216	2.6
347.14978	4.2
357.13416	3.0
375.14520	100.0
376.14777	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	375.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.3
56.23384	1.1
57.03460	2.4
59.01388	59.8
60.01719	1.7
69.21368	7.0
71.01389	28.9
71.31644	1.0
72.01722	1.2
73.02962	8.5
82.01399	1.3
83.01405	6.5
85.02958	13.3
87.00875	1.6
89.02460	21.6
95.01424	3.5
95.99578	1.1
101.02458	24.4
102.95925	1.1
105.33523	1.3
113.02454	13.0
114.05647	3.2
119.03527	12.2
119.05034	4.0
130.08737	1.2
134.98586	1.1
135.04593	1.6
136.38980	1.1
143.03555	2.1
144.08218	1.3
161.04572	4.9
165.05627	1.3
172.19154	1.2
174.99272	1.5
177.09262	4.9
179.05699	3.8
184.08772	2.9
197.06079	1.5
198.06810	2.4
199.90128	1.1
212.08330	22.5
212.10278	2.0
213.08699	1.2
217.00345	5.7
227.06837	1.4
240.06615	3.8
241.07382	9.1
255.08900	100.0
256.09253	7.6
257.10632	1.7
331.17352	1.5
337.50787	1.1
357.15604	17.9
358.15948	1.8
375.02710	2.3
375.06845	3.6
375.12103	2.6
375.16730	51.2
376.17059	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.1
70.54110	2.1
71.01389	9.4
80.91703	1.7
86.96806	0.9
99.92600	2.4
129.25177	0.9
143.98065	0.9
174.99277	2.3
177.09204	3.1
190.09998	3.0
192.11574	7.4
205.12341	3.2
217.00294	8.5
218.09454	2.2
220.14706	35.1
221.15472	100.0
222.15840	8.4
229.16034	1.8
236.10544	85.8
237.10980	6.6
293.17621	35.1
293.20908	1.7
294.17981	3.9
318.09586	4.1
319.10294	1.1
321.15546	2.5
358.09024	2.2
375.17868	6.7
375.25388	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	375.1817
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
59.01368	4.2
61.98821	1.2
65.00313	1.1
69.12988	8.2
87.75619	1.1
96.96036	1.6
112.90523	1.1
125.01366	1.1
136.98865	1.3
137.64113	1.2
197.08862	1.1
217.00298	2.8
236.06775	2.8
287.12924	1.6
325.14478	4.4
341.14276	1.9
342.14651	2.0
343.15436	8.2
357.17291	9.6
375.18158	100.0
376.18564	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	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69219	0.6
71.07455	1.0
71.07819	0.6
74.99080	3.1
91.55818	0.8
93.00153	0.7
101.09103	0.7
118.79179	0.7
127.13316	0.6
143.05315	1.3
149.00955	1.3
159.08479	13.2
161.06438	3.9
192.98108	1.1
209.01326	3.8
217.07297	1.7
241.45886	0.7
275.05872	1.1
277.07684	3.3
289.07538	2.3
291.09122	92.9
292.09241	13.4
309.10144	0.7
357.13748	3.1
358.14139	0.7
359.15378	100.0
360.15573	16.4
375.18515	6.4
376.18649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22891	0.5
60.97503	0.6
71.16028	0.6
71.44290	0.4
72.24654	0.4
74.99075	2.3
91.50246	0.4
93.00117	0.6
94.32388	0.5
143.05406	0.5
149.00966	0.8
159.08476	10.1
160.08612	0.5
161.06406	2.0
192.98186	0.9
209.01236	2.2
217.07211	1.4
270.32703	0.5
275.06042	0.8
277.07550	2.0
289.07462	1.0
291.09122	94.1
292.09238	12.5
309.10135	0.9
317.55804	0.4
357.13889	1.5
359.15378	100.0
360.15515	16.6
375.18497	5.6
376.18484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03453	0.7
59.01384	60.2
60.01723	0.6
69.56235	1.3
69.97484	0.3
71.01387	23.9
72.01731	0.5
72.99306	0.5
73.02969	1.4
83.01398	1.5
85.02963	6.4
87.00896	0.6
89.02454	18.7
90.02786	0.3
95.01402	2.1
99.00884	0.3
101.02448	13.5
102.02798	0.5
113.02464	7.7
119.03503	6.5
125.02467	0.4
131.03535	0.3
139.74969	0.3
143.03548	0.4
145.37373	0.3
183.13954	0.5
195.13910	9.5
196.14238	0.6
213.14966	3.7
357.19257	0.5
375.20255	100.0
376.20578	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	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	39.7
69.13177	14.0
72.10384	2.2
95.05019	2.8
121.10251	31.8
131.00600	2.3
171.10289	71.3
172.10617	4.1
174.99144	2.3
185.11890	3.2
217.00316	4.4
231.21286	6.1
275.20187	100.0
276.20468	10.4
278.11340	12.4
293.21265	83.2
294.21811	10.1
297.18335	4.7
311.17004	3.2
315.19418	44.1
316.19742	3.9
375.21371	38.7
376.21313	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	375.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
59.01387	10.2
71.32051	0.7
74.02863	0.6
79.95728	3.7
80.96517	3.7
97.06573	0.7
125.09755	2.5
141.12877	1.3
145.64503	0.5
149.09726	1.0
183.01212	1.2
185.11838	6.2
197.11833	1.6
208.97650	0.7
210.97372	0.6
281.19107	1.5
293.21259	61.4
294.21573	5.9
304.08212	0.5
311.16934	2.8
315.10614	1.1
315.19446	20.9
316.11365	0.6
316.19775	1.9
317.12167	11.0
318.12585	1.8
331.13705	4.7
345.15308	30.4
346.15866	7.0
359.01236	1.6
359.16867	1.5
375.20016	100.0
376.20328	13.9
377.01965	0.5
378.15170	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	375.2161
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
57.03444	3.9
59.01386	100.0
68.57948	3.2
69.10331	18.5
93.15619	3.0
98.21893	5.6
113.09756	9.2
121.10253	7.8
171.10284	29.2
183.76601	3.0
185.11783	3.5
205.31636	3.0
217.00302	9.8
275.20203	32.1
293.21268	72.9
294.21490	12.5
311.16714	4.1
315.19388	55.7
316.19870	6.6
375.21530	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	376.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93271	0.2
51.99244	0.2
52.15292	0.3
55.24240	0.2
59.01386	1.3
60.37961	0.2
61.36227	0.3
61.98835	0.6
65.26247	0.3
66.00977	1.2
70.54023	0.5
71.01406	0.8
73.02953	1.5
78.00976	0.5
78.95914	13.0
82.04121	0.5
85.02953	0.3
89.02471	0.4
90.00986	0.5
91.71444	0.2
101.02448	0.6
107.03654	3.7
108.02045	3.2
110.98540	8.4
113.02465	0.8
126.03107	2.7
130.08812	0.3
131.03528	0.9
133.01578	46.7
134.01945	0.9
150.04228	100.0
151.02600	0.6
151.04665	3.1
152.99605	0.6
164.68988	0.3
167.01175	1.0
176.00536	0.3
192.99117	2.0
203.00618	0.3
207.98967	0.3
225.01723	8.1
376.06659	20.5
377.06787	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	376.0943
Annotation	SB 203580
Peak:m/z	Relative Intensity
54.79725	1.2
59.28798	0.9
64.01926	4.6
65.00328	6.1
65.01432	1.1
65.99850	26.6
67.03020	9.9
68.99818	2.2
71.41014	1.1
72.59132	0.8
73.95881	0.8
82.19066	0.8
88.01945	1.7
89.26638	0.9
92.02560	9.1
96.00948	5.1
97.04124	1.0
97.74320	0.9
106.04140	1.7
107.02522	2.6
108.00922	5.2
119.05000	0.9
122.02469	1.0
132.00925	1.8
132.05698	2.5
133.01759	1.2
134.03613	13.4
136.00418	41.6
137.00772	1.1
141.07166	1.0
143.02477	1.0
150.02000	0.9
154.04141	1.8
155.04724	1.1
156.05673	3.9
158.03632	3.6
160.00354	1.1
160.05081	1.0
162.03127	3.5
163.99908	30.0
165.00356	1.3
169.06601	1.1
170.03612	7.6
171.04527	9.7
172.05124	1.6
173.06082	1.4
175.99899	18.1
176.04654	5.9
177.00456	1.4
182.03592	10.6
183.04405	6.2
184.05188	5.1
188.04660	1.1
189.00755	2.4
197.06102	1.0
198.03128	8.0
198.05540	2.0
199.04015	1.2
200.04655	9.0
203.99326	1.3
208.07721	1.3
210.03157	4.9
210.05554	0.9
212.04607	1.5
212.07201	2.2
213.05588	1.7
216.04237	1.6
222.61082	0.9
224.07179	2.9
226.02670	22.4
226.05132	5.1
227.03099	2.2
228.04187	7.7
236.07262	3.4
238.05034	4.4
239.03421	15.0
240.06604	6.3
242.01927	1.2
242.05849	1.3
244.03596	3.2
252.06773	1.3
254.02086	24.1
254.07997	1.9
255.06624	1.3
257.04343	2.0
260.08344	3.5
267.02975	20.2
268.06158	58.2
269.06558	5.8
270.05173	4.7
280.06174	44.2
281.06522	3.4
282.05331	13.0
286.10004	1.0
288.07816	5.7
297.04102	3.6
297.07703	11.3
302.09402	3.9
308.05692	1.3
312.07852	1.2
330.08832	35.9
331.09241	4.2
332.10419	3.1
340.07343	1.0
348.09900	53.5
349.10205	7.5
358.08347	100.0
359.08643	15.2
376.09393	99.0
377.03345	1.9
377.09689	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	376.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
57.03448	0.8
59.01395	3.8
60.91488	0.5
67.66769	0.6
68.99843	0.6
69.03464	0.9
69.46645	2.2
71.01382	1.7
72.04559	4.7
75.00872	0.9
75.79018	0.5
79.95744	1.4
80.96500	2.7
81.03456	0.6
82.02991	66.7
83.01398	29.1
83.02137	0.6
83.03317	1.1
83.05070	0.7
85.02959	2.4
87.00887	0.9
87.04473	0.6
93.03484	1.0
96.96014	3.0
98.02514	1.1
98.21878	1.1
99.00898	1.2
100.04060	18.5
101.02387	0.7
108.02193	0.9
108.04585	1.0
109.02991	0.7
110.02500	2.0
111.00883	4.2
111.04514	1.2
113.02455	0.7
117.03449	1.8
119.05073	1.2
121.03021	0.5
123.00920	0.8
124.04041	0.8
125.02454	1.5
126.01989	29.6
127.00395	1.4
128.03558	9.4
131.05080	1.5
133.06601	1.0
135.04544	1.3
140.07172	0.8
144.01910	0.7
144.03046	11.0
147.04512	3.0
147.08165	1.2
152.03531	0.8
154.01450	4.1
157.06447	0.6
161.06059	1.2
165.05595	1.1
171.04515	1.0
171.08157	1.0
172.02536	100.0
173.02878	3.1
173.06038	0.7
175.04025	0.6
175.07713	1.1
184.06149	1.2
189.05579	1.7
196.02501	0.8
201.05655	0.9
201.09204	0.8
203.07158	1.2
210.04051	1.1
226.02757	0.9
229.05043	0.8
245.08038	0.7
245.11957	1.0
262.25897	0.7
271.13074	0.7
286.10861	1.1
287.08392	0.7
289.07416	1.0
289.10828	0.9
289.14438	0.9
297.04050	1.8
303.09415	0.6
305.09290	1.0
315.12643	0.7
331.09024	1.6
333.09378	2.8
333.13562	1.5
333.17026	1.0
347.11789	0.9
358.08990	2.4
359.08496	5.2
376.10712	4.6
377.04974	0.9
377.08255	3.1
377.12985	4.5
377.16611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
63.84492	0.9
65.89823	0.9
66.03492	1.8
69.03468	1.6
70.02959	1.1
71.05032	4.4
80.05054	7.1
82.02989	14.8
83.01403	5.4
83.05029	5.2
86.02465	1.5
88.98850	1.4
96.04560	7.3
98.02486	31.5
98.06121	7.8
99.00892	1.2
99.04520	7.6
99.79771	0.9
107.58369	1.0
108.04565	24.3
109.02998	1.8
113.09823	1.3
116.23328	0.9
119.05052	2.5
124.04053	19.4
125.02501	1.3
126.05621	14.2
127.00378	3.3
135.04588	1.3
142.03346	1.5
142.05112	3.7
152.03555	30.3
154.02757	1.1
155.08711	1.3
159.08501	2.0
161.10074	100.0
162.10423	5.3
168.03027	17.7
170.04601	12.9
170.98584	1.3
195.68961	1.1
196.02528	98.1
197.02872	4.2
198.05357	2.3
201.09225	1.4
214.03674	7.4
217.12450	1.4
231.10564	1.8
239.36897	1.1
245.19145	1.9
248.13364	2.7
270.15469	2.4
271.17068	1.8
289.17957	1.9
314.14438	3.7
315.16006	7.2
330.13766	4.6
330.17307	1.2
333.17081	8.9
358.13351	14.8
359.14462	1.5
375.93750	1.7
376.14471	9.7
376.93677	2.2
377.16086	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11668	0.9
55.01878	2.9
57.29559	0.7
58.99608	2.2
59.01383	6.1
60.45086	0.7
61.87308	0.8
66.03500	2.0
69.03465	1.2
70.19397	1.8
71.01364	1.0
71.05028	3.7
73.04046	0.8
74.02458	0.9
80.05067	5.0
82.02992	15.8
83.01395	8.1
83.05042	5.9
86.02502	2.2
87.00890	1.7
96.04575	4.9
98.02489	33.4
98.06113	6.1
108.04564	23.5
113.02446	1.0
113.09750	2.0
119.05000	1.3
124.04064	16.7
126.05618	13.9
127.00389	4.6
129.10362	1.1
135.04584	1.2
140.89384	1.0
142.03320	1.8
142.05118	3.0
152.03551	32.7
153.03877	1.8
159.08496	2.4
161.10075	96.0
162.10379	3.6
167.74393	0.8
168.03041	15.2
169.03427	1.1
170.04622	12.2
173.09801	1.0
181.61497	0.9
185.40994	0.8
195.27650	0.9
196.02530	100.0
197.02858	5.1
214.03593	6.9
215.19446	0.9
223.81897	0.8
231.10616	1.3
248.13222	2.4
270.15408	1.3
289.18094	5.7
314.14273	1.8
330.13858	3.1
333.17136	3.9
348.15424	0.8
358.13315	14.2
359.13901	1.2
376.14252	6.8
376.18381	1.1
376.72595	0.9
377.16144	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	376.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	80.9
61.98836	42.4
64.60536	22.0
69.36099	100.0
91.20504	23.2
118.26405	21.6
130.35364	18.8
133.02960	32.1
180.06764	35.8
183.54398	21.8
226.67097	26.6
234.86505	20.9
327.12454	34.6
329.13928	27.8
333.17188	26.5
376.14722	22.4
376.21112	31.3
377.16080	70.8
380.29727	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	376.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23500	0.4
50.79416	0.4
52.77705	0.5
59.01383	0.8
65.00321	0.4
68.20322	0.4
69.21472	2.2
69.21875	0.8
81.88894	0.4
82.48590	0.4
96.96037	0.6
99.00885	0.7
110.00095	1.9
111.00897	0.5
117.03472	30.3
118.03816	1.3
121.79354	0.6
125.02467	1.2
125.76041	0.4
128.03584	0.7
128.48975	0.4
130.04269	0.6
134.00085	0.9
137.99605	1.9
139.04109	0.5
141.03395	0.5
153.01962	13.0
154.04257	21.0
155.04601	1.7
161.02409	0.5
161.09926	0.5
161.99599	0.5
169.02956	1.2
170.03622	0.7
171.07777	0.6
177.01985	1.3
182.03735	8.5
185.02454	6.6
198.03236	8.5
210.03177	3.3
225.05598	0.5
226.02730	50.7
227.03049	3.0
238.02747	10.1
239.03035	1.1
254.02223	12.2
255.02623	1.4
257.07507	0.5
258.01706	3.1
269.01834	0.6
269.04584	9.8
270.05023	0.9
278.08386	0.6
283.02542	1.0
297.04059	100.0
298.04413	11.9
333.09406	0.5
333.13336	0.8
351.64288	0.5
376.99710	6.6
377.12030	1.0
377.16379	2.4
378.00098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.034
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52657	0.2
66.52158	0.2
69.15810	0.2
76.90231	0.2
84.62065	0.3
88.65356	0.2
91.01881	0.3
117.03472	23.4
118.03782	1.0
121.02969	1.4
133.02968	5.4
149.02429	0.6
153.05559	0.9
161.02448	3.0
165.01981	0.7
176.01155	0.3
184.21165	0.2
185.87558	0.2
189.01968	0.3
194.03758	0.3
195.04524	0.7
208.05296	0.5
209.06137	0.7
211.04033	1.8
222.03276	1.6
223.04042	0.5
224.04762	0.3
225.05592	0.7
231.04062	0.2
235.04068	1.4
236.04787	0.5
237.05560	2.7
239.03500	8.5
240.03929	0.5
250.02676	1.4
251.03452	1.6
252.04216	0.7
253.01471	0.4
253.05064	1.9
254.05843	2.2
265.05103	2.6
266.02319	1.1
266.05008	0.3
267.02991	4.7
268.03314	0.6
269.08194	0.3
281.04559	5.1
282.05341	17.4
283.05716	1.5
297.07693	100.0
298.08054	8.5
377.03391	14.6
378.03625	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	377.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95323	0.8
54.20834	0.8
70.04570	1.9
75.57055	0.9
78.40777	0.8
117.03472	21.1
118.03799	1.1
125.02464	1.1
133.02983	4.1
147.47516	0.8
149.02400	1.0
160.04025	1.4
161.02460	3.0
174.05644	1.2
182.54237	0.9
189.03935	0.8
211.03964	1.3
222.03288	1.2
235.04021	2.3
237.05481	2.4
239.03490	8.0
251.03618	1.4
253.05045	1.6
254.05946	1.4
265.05069	2.7
267.02988	6.3
281.04431	5.2
282.05368	18.2
283.05673	1.7
297.07706	100.0
298.08020	11.2
334.10730	1.2
360.08875	1.0
377.03461	15.2
378.03476	1.2
378.09671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20315	0.3
60.68090	0.4
64.73364	0.3
65.65860	0.3
69.78490	0.9
69.78870	0.8
88.80846	0.4
98.21920	0.5
106.59560	0.4
107.03851	0.3
117.03471	21.7
118.02996	0.4
118.03809	0.9
121.02946	1.3
133.02959	4.5
149.02486	0.5
153.05521	0.9
154.04233	0.4
160.04028	1.9
161.02438	2.8
161.69110	0.3
165.02020	0.8
167.03560	0.5
174.05643	0.8
186.05644	0.4
188.03568	1.2
195.04485	0.5
208.05278	0.4
208.40810	0.3
209.06119	0.6
211.03978	1.7
213.62860	0.3
218.38884	0.4
222.03252	1.5
223.03998	0.8
226.02829	0.5
235.04057	1.5
237.05606	2.8
239.03523	7.6
250.02721	1.1
251.03493	1.4
253.05211	1.9
254.05931	2.2
256.02472	2.1
265.05054	2.8
266.02322	0.9
266.05396	0.4
267.03027	4.8
268.03452	0.5
281.04572	6.0
282.05328	16.3
283.05762	2.0
297.07690	100.0
298.04633	0.6
298.08017	11.2
319.08295	0.5
334.10681	0.4
360.08734	1.1
377.03348	16.9
378.03787	1.5
378.09781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0671
Annotation	LMPK12090004
Peak:m/z	Relative Intensity
55.01888	0.7
65.00302	0.6
70.53638	1.1
75.50578	0.7
117.03471	1.1
121.02859	0.7
131.01411	1.1
133.02985	1.1
137.70282	0.6
145.02992	1.7
147.00917	1.1
148.01657	1.5
149.02415	4.1
157.02960	1.0
161.02438	2.6
171.00890	4.1
171.04501	1.4
172.01665	1.7
173.02423	4.2
173.06090	1.3
175.00357	1.3
186.03226	0.9
187.00363	2.9
188.01176	1.2
189.01901	1.9
199.00410	0.7
200.01161	0.9
201.01978	1.9
202.99931	1.9
214.02591	0.7
216.00662	3.9
217.01295	2.9
225.05714	0.9
226.02924	0.8
226.99937	0.6
229.01422	2.5
230.02161	3.4
240.00822	0.9
242.99313	10.0
243.01616	1.0
244.00005	2.9
245.00945	12.4
246.01459	0.8
249.09276	1.0
257.00836	0.7
258.01682	10.1
261.05450	0.8
265.08954	0.8
268.00085	1.5
270.98846	19.1
271.99338	2.4
273.00427	18.5
274.00671	1.3
286.01257	1.9
293.08295	1.2
297.04147	1.2
303.06622	1.2
305.08215	0.9
307.06140	0.9
321.07806	4.6
331.06039	1.4
349.07101	3.1
350.07312	0.7
359.05588	11.0
359.09799	0.8
360.06180	2.7
377.06668	100.0
378.06735	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	377.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53002	3.1
59.01387	41.1
61.21152	3.4
68.69588	3.6
70.77471	5.8
71.01398	26.8
72.99312	4.1
78.95921	7.6
85.02995	7.1
89.02453	44.1
96.96037	3.7
97.03988	3.9
101.02466	19.9
109.02961	3.2
111.43675	3.6
113.02473	15.2
117.03504	5.2
119.03532	13.0
126.98941	5.7
145.06227	5.4
149.59183	3.7
161.04543	3.5
179.05598	22.9
184.01555	3.8
193.03444	3.9
197.02243	4.3
215.03253	17.1
223.03828	3.8
226.02759	5.6
294.99271	7.0
297.04089	14.5
309.86307	4.0
310.92349	3.6
331.79379	3.5
341.10892	100.0
342.10971	3.9
377.05008	4.1
377.08701	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53002	3.1
59.01387	41.1
61.21152	3.4
68.69588	3.6
70.77471	5.8
71.01398	26.8
72.99312	4.1
78.95921	7.6
85.02995	7.1
89.02453	44.1
96.96037	3.7
97.03988	3.9
101.02466	19.9
109.02961	3.2
111.43675	3.6
113.02473	15.2
117.03504	5.2
119.03532	13.0
126.98941	5.7
145.06227	5.4
149.59183	3.7
161.04543	3.5
179.05598	22.9
184.01555	3.8
193.03444	3.9
197.02243	4.3
215.03253	17.1
223.03828	3.8
226.02759	5.6
294.99271	7.0
297.04089	14.5
309.86307	4.0
310.92349	3.6
331.79379	3.5
341.10892	100.0
342.10971	3.9
377.05008	4.1
377.08701	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65665	0.7
54.09058	0.5
54.75029	0.5
57.03463	0.7
59.01379	3.8
61.10716	0.6
67.24323	0.5
68.99827	1.7
69.03437	0.6
69.33239	2.1
69.33647	1.2
71.01376	1.9
72.99327	0.9
73.02924	0.6
79.95760	0.8
80.96531	1.0
81.03456	0.6
85.02964	1.1
89.02435	0.8
93.03466	0.9
95.05064	0.9
96.96027	2.1
97.02969	1.0
97.06620	0.6
101.02497	0.9
105.04609	1.4
109.02924	0.7
109.06582	0.7
111.04546	0.8
113.02446	0.8
115.95679	0.5
117.03483	3.3
119.05016	0.7
123.00906	0.6
123.08212	0.6
129.04582	1.1
131.04832	0.6
133.04105	6.2
135.04439	1.0
147.04570	3.6
147.05580	0.9
153.01929	0.8
154.04295	1.1
155.04121	1.0
157.04051	5.3
158.04799	1.8
159.08160	0.7
161.02382	1.1
161.03604	2.3
161.06100	0.7
164.07172	1.2
171.04558	12.2
171.08177	0.8
172.02567	0.8
174.04416	1.1
181.93300	0.6
182.03676	1.0
183.03708	10.5
184.04439	0.8
198.03174	1.0
199.03239	1.1
200.04037	1.7
201.03061	9.1
201.04861	4.7
201.09236	1.0
211.03235	1.5
214.03905	3.1
226.02751	3.2
227.02768	1.8
231.10138	0.8
243.09262	0.9
245.04570	0.8
245.08304	1.0
254.02180	0.8
259.08844	2.4
261.10367	0.8
269.04596	0.9
271.08978	1.0
271.13358	0.9
283.02545	2.4
287.08255	6.3
289.07425	1.8
289.10791	0.8
289.14471	1.5
297.04050	7.0
297.14835	0.6
298.04633	3.4
303.09482	8.4
305.09357	10.4
306.09656	1.9
313.07700	0.9
315.07883	3.3
315.12292	0.8
315.15918	1.2
331.09003	25.9
332.09402	2.4
333.08868	29.7
333.13300	2.0
333.16956	1.0
334.09161	5.2
359.08496	100.0
360.08823	10.3
377.05298	0.8
377.09097	19.1
377.17014	1.2
377.22113	0.6
378.09567	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	377.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01423	2.3
65.00307	4.4
65.32179	2.6
67.01898	53.5
68.99822	34.9
73.02969	6.1
81.03459	6.3
83.01384	6.7
89.80917	2.1
93.03461	11.1
95.05029	4.3
97.02950	3.5
98.22688	6.4
99.00879	4.3
107.05028	15.9
109.02968	11.5
111.00882	4.8
117.03473	10.3
123.04527	14.5
127.05478	3.3
130.04225	4.6
131.05057	6.5
133.02980	14.3
135.04549	27.3
136.98869	3.0
143.05104	4.0
145.06619	37.9
151.00609	3.0
155.05000	9.3
156.05725	3.8
157.06618	4.1
158.03796	4.4
159.04520	15.4
160.04045	3.0
161.02429	6.8
162.79210	2.2
167.03537	2.6
169.06572	3.7
171.04529	29.9
171.08102	2.8
171.27016	2.6
172.05318	12.2
173.04572	3.7
173.06082	36.6
183.04601	12.5
184.05243	2.6
185.06097	2.5
187.04071	11.3
187.07628	5.9
188.03548	2.8
189.01944	2.9
195.02954	6.8
200.04762	13.6
201.01912	5.2
201.05553	14.0
211.04059	4.1
213.05701	5.8
215.07146	100.0
216.07433	4.3
226.02838	5.2
227.03575	11.5
228.90517	2.7
229.05051	7.0
231.06607	5.7
237.09206	3.3
239.03442	11.0
241.05029	5.6
243.06633	10.7
256.02484	5.1
259.06033	5.0
262.08655	6.2
267.03064	25.9
271.06119	20.4
279.10205	6.7
280.06042	2.8
282.05399	21.4
283.05807	4.9
297.03967	9.8
297.07666	22.7
298.04379	2.8
298.07904	3.4
301.07062	3.2
305.11838	5.2
306.07608	4.3
307.09799	44.1
308.10092	2.8
315.10144	4.2
319.08447	3.4
331.09821	19.8
334.07443	3.0
343.06064	2.5
359.09363	15.3
360.09256	3.3
377.03525	3.3
377.10147	36.7
377.16058	12.0
378.06171	9.8
378.10556	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	377.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99579	4.0
59.01359	3.0
60.97276	0.8
60.97538	10.5
61.98831	1.4
63.07170	1.0
64.98825	0.9
69.03439	3.9
72.97515	3.8
73.98303	2.7
74.99083	2.3
80.96516	1.6
83.05010	1.4
84.02174	6.5
85.02940	4.5
86.99091	4.7
88.97009	1.0
89.00678	16.6
90.98574	2.0
91.05502	3.2
93.03443	1.1
97.02956	5.9
100.86441	1.1
107.05000	5.0
109.06599	70.3
110.06901	2.8
110.61680	1.0
111.04483	2.5
114.98562	1.1
115.99416	1.3
119.05035	5.9
121.06587	1.0
127.99364	1.1
131.01672	2.2
149.05096	0.9
149.06104	14.0
157.10136	1.1
165.03802	75.5
166.04140	4.9
166.26437	0.9
171.11725	1.0
180.50771	1.2
183.04845	1.6
193.03233	5.0
197.09578	1.0
198.06790	0.9
199.07574	1.1
213.12831	1.2
226.09892	1.3
227.10751	2.1
241.12250	2.0
243.08553	1.2
247.11478	1.8
297.14804	2.3
299.16479	1.1
303.13995	3.3
307.13339	2.0
325.14468	23.6
326.14670	3.3
331.10019	1.7
331.13730	31.6
332.13837	2.7
341.11758	4.5
343.15469	7.2
344.15576	1.1
347.15021	1.3
359.13220	100.0
360.13565	12.1
361.94180	1.8
377.14178	36.0
378.09735	1.2
378.14505	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	377.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20506	0.5
56.81419	0.6
59.01387	6.3
69.03470	2.8
69.12530	3.5
71.01424	1.7
78.95955	0.9
80.02702	1.4
83.05089	1.4
83.27359	0.6
85.03007	2.3
85.75719	0.6
86.50897	0.5
89.02502	0.6
97.03024	1.7
98.03786	0.6
99.04507	3.1
109.02998	0.7
109.06676	0.7
111.08231	1.0
116.07221	1.0
117.03509	2.0
119.05093	1.1
121.06639	0.8
124.01679	8.8
126.99589	1.9
135.04520	1.3
135.08173	1.4
139.81891	0.6
149.06177	1.2
150.99547	0.6
155.08676	0.9
161.09804	0.9
169.00671	1.0
175.11359	2.0
187.11324	1.2
189.12834	2.7
191.14424	0.9
194.98560	0.7
203.10756	0.7
205.12404	1.3
212.99680	0.6
219.13945	0.9
229.15988	0.9
231.17668	1.3
241.15993	1.7
243.13828	0.8
243.17578	6.5
245.19125	1.7
257.15579	0.9
259.17047	13.4
260.17407	1.5
265.49658	0.6
271.17102	1.1
289.02911	0.7
289.18192	1.9
315.16074	1.2
331.15659	0.9
333.17108	90.2
334.17416	10.2
338.96533	0.6
342.20575	0.7
377.16077	100.0
378.16394	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	377.1607
Annotation	Gibberellin A125
Peak:m/z	Relative Intensity
51.77131	0.6
54.03163	0.6
57.03444	2.4
59.01386	9.2
59.35826	0.6
69.03461	9.8
69.56893	0.5
71.22302	0.9
73.02945	1.0
79.05539	0.6
80.02686	1.5
81.03452	1.2
83.05034	0.8
85.02949	1.3
95.05025	1.9
96.02192	1.0
97.02949	5.6
99.04529	1.4
107.05034	4.6
109.06610	2.5
119.05024	2.3
120.05833	1.9
121.02979	1.4
121.06591	1.5
123.08171	0.9
133.06593	1.8
135.04523	2.7
135.08162	5.2
137.06129	0.9
137.09779	1.2
142.24988	0.6
147.11780	1.6
151.11295	0.9
155.10837	0.6
159.08138	0.8
161.09727	0.6
162.24591	0.6
163.11205	0.6
171.08246	1.1
173.09764	1.7
175.07544	0.6
175.11310	2.2
177.09219	0.8
179.07111	1.1
189.12880	3.1
191.14423	3.6
201.09256	0.8
201.12883	0.7
205.61253	0.6
215.10872	1.2
217.08792	0.7
217.12343	1.0
219.13948	1.1
229.15976	9.2
230.16425	1.5
233.11809	3.5
235.13351	1.6
241.16113	0.9
243.14061	0.8
243.17477	1.8
245.11935	1.0
245.15512	1.6
245.19118	13.2
246.19502	1.0
261.18576	2.7
263.12900	1.9
269.15524	1.8
271.17105	2.7
273.14990	7.0
274.15506	0.8
285.52817	0.6
287.16565	1.5
289.18143	13.4
290.18481	1.5
315.16122	2.3
331.87024	0.6
333.17099	50.4
334.17438	5.7
359.14761	1.0
377.16077	100.0
378.16403	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	377.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20634	0.5
57.03447	0.9
59.01384	3.3
60.73887	0.5
68.99773	0.7
69.03466	0.9
71.44081	0.8
73.02937	0.9
78.95956	0.9
85.02964	1.0
93.07115	2.0
97.02979	1.1
97.06581	0.7
99.00880	1.4
99.04515	3.4
105.07012	0.8
111.00918	0.6
117.03398	0.7
121.10262	1.0
123.07078	0.7
123.08076	0.8
124.01692	1.7
135.04495	1.2
135.08203	0.9
137.06105	1.6
151.07619	1.1
151.66197	0.6
153.09138	0.8
161.09737	1.4
165.09137	0.6
173.09703	0.7
175.11325	1.0
187.11240	0.7
189.12834	4.4
202.10080	0.7
205.12267	1.2
207.14072	0.9
215.14445	1.6
215.18044	1.9
217.12360	30.6
218.12724	2.9
231.17531	3.0
244.14633	1.0
251.12862	0.9
259.17047	74.1
260.17368	7.5
271.05853	0.6
271.17047	1.9
289.18164	2.9
333.17105	31.4
334.17398	3.1
358.21213	0.6
359.15079	1.7
377.16058	100.0
378.16367	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	377.161
Annotation	Gibberellin A125
Peak:m/z	Relative Intensity
52.17020	0.7
57.03447	2.2
59.01387	8.9
69.03464	11.1
69.74522	1.5
69.74886	1.7
71.05079	0.9
73.02943	1.0
73.73429	0.7
80.02706	1.4
81.03471	1.4
83.05001	0.9
91.28600	0.7
93.03478	0.9
95.05033	1.8
97.02965	5.4
98.21960	1.4
99.04542	1.5
107.05023	4.4
109.06606	3.7
119.05027	1.9
120.05801	1.4
121.06596	1.3
123.08134	1.1
131.86406	0.8
133.06636	1.4
135.04547	2.9
135.08191	4.7
163.11269	0.9
171.08224	1.0
173.09691	1.7
175.11305	3.2
177.09364	0.7
183.91370	0.7
187.11359	1.7
189.12862	4.1
191.10600	0.8
191.14458	1.9
199.11337	0.8
201.09334	0.9
205.12474	0.9
215.10760	0.8
229.15997	10.4
230.16376	1.6
233.11852	3.2
235.13333	1.1
241.15956	0.8
243.17549	1.5
245.11711	1.1
245.15456	1.7
245.16756	1.0
245.19145	12.3
246.19406	0.8
261.18680	1.6
263.12772	1.9
269.15414	1.7
271.17044	2.3
273.14960	7.2
276.29584	0.8
287.83731	0.9
289.18185	12.3
290.18524	1.2
315.15878	1.2
333.17123	52.1
334.17429	7.6
377.16098	100.0
378.16415	16.4
378.20862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1614
Annotation	Gibberellin A125
Peak:m/z	Relative Intensity
55.56330	0.8
57.03445	0.9
59.01366	3.8
60.12627	0.8
60.93501	0.8
61.06595	0.9
67.01902	1.4
68.74831	0.8
68.99835	1.6
69.03461	5.7
69.09750	6.3
70.68212	0.9
71.01372	3.5
71.05027	29.3
72.05356	0.9
73.02984	1.5
77.50865	0.8
81.03477	1.4
83.05068	1.1
91.41467	0.8
93.03423	1.1
95.05029	1.0
97.02947	1.3
97.06581	1.8
105.08009	0.8
107.05054	1.2
109.06577	1.7
111.00895	1.2
115.05534	2.8
117.01144	1.7
117.03503	1.3
117.07095	1.2
119.05040	42.3
120.05399	1.8
121.06584	1.0
123.08150	1.5
125.09727	3.6
135.08157	1.7
145.03009	1.3
149.06090	0.9
151.07614	1.1
155.08643	1.1
159.04504	2.0
161.06126	1.5
165.09209	1.5
173.09711	0.9
175.11313	1.7
185.06091	1.5
187.04008	7.4
189.12875	5.2
189.16444	1.1
199.11250	2.0
203.10777	1.0
203.14400	6.5
213.05547	1.1
217.12357	6.3
219.13911	2.0
229.05084	2.6
233.15486	5.2
243.17603	1.8
253.14444	2.0
256.14633	2.7
257.04626	7.1
258.04868	1.3
261.14954	2.9
261.18594	1.4
271.17023	20.8
272.17413	2.7
274.15799	3.9
287.16739	1.0
289.18121	19.6
290.18484	2.8
315.16003	5.5
327.12335	1.0
329.13922	3.3
333.17102	82.8
334.17410	7.9
341.19696	2.2
377.10709	3.7
377.16080	100.0
378.11325	1.2
378.16373	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	377.161
Annotation	Jurineolide
Peak:m/z	Relative Intensity
54.73562	0.4
59.01361	1.3
69.28339	1.8
78.95902	0.6
81.03433	0.5
82.62065	0.5
89.85413	0.4
92.67803	0.5
93.65039	0.5
117.03438	1.0
119.04993	0.7
123.00798	0.5
124.01649	0.7
126.66234	0.5
138.37445	0.4
159.31941	0.5
161.78259	0.5
171.08147	0.6
209.09735	1.0
213.09029	0.5
218.39700	0.5
220.25676	0.4
227.07126	0.9
237.09264	4.2
237.55986	0.4
252.07951	0.7
255.10246	1.3
265.08710	3.3
267.10367	0.7
268.03769	0.9
268.07437	3.8
269.07874	0.7
281.08231	1.5
281.11740	0.8
282.09024	7.4
283.09781	27.4
284.10123	2.8
285.11353	10.1
285.14371	0.4
286.11795	0.9
295.06354	0.8
308.10507	0.6
309.11328	7.6
310.11731	1.2
311.12863	0.7
313.10962	0.5
326.11774	0.6
327.12405	42.8
328.12790	4.6
329.13965	100.0
330.14288	11.7
333.17020	1.0
347.14984	12.2
348.15366	1.2
359.15048	0.9
377.04504	3.7
377.16071	31.0
378.16406	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	377.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	0.9
59.01408	1.1
59.44175	0.7
69.14758	5.0
74.02483	2.5
82.02991	2.5
84.04564	2.7
86.02483	18.7
88.04081	1.3
99.02042	0.8
109.07748	2.0
113.09776	1.7
126.42996	0.8
127.05146	2.9
127.08800	11.5
128.03557	100.0
129.03908	2.3
153.06741	6.5
159.08464	2.1
161.10074	58.2
162.10445	2.7
171.07770	33.6
172.08141	0.9
179.04657	2.4
179.83316	0.8
189.12830	1.1
199.93060	0.9
215.06686	2.9
217.12370	6.5
248.13301	9.1
249.13573	1.1
259.17056	16.9
260.17456	1.7
333.17108	5.2
359.16431	2.5
377.16183	18.6
378.16858	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62569	0.9
51.04832	0.8
51.21142	0.9
57.03452	1.0
59.01383	23.6
69.73473	2.7
93.34608	0.9
95.05085	1.2
96.96022	7.4
98.08153	1.0
98.22585	1.5
108.27809	0.8
125.09698	1.7
158.84279	0.9
171.10294	36.3
172.10640	2.0
185.15309	1.0
231.21164	0.9
244.29620	0.9
249.22346	1.9
265.14819	12.8
277.21756	42.6
278.22098	5.1
295.22797	100.0
296.23132	12.7
297.18094	1.0
317.20978	34.1
318.21298	3.8
361.20117	1.3
371.11542	1.1
377.23013	18.7
378.23489	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28755	1.1
59.01391	7.1
61.98828	1.4
65.00325	1.6
71.42960	1.5
82.00600	1.6
99.04507	3.1
110.00114	17.9
117.03481	2.4
119.05037	3.4
137.09727	1.5
137.99580	7.0
146.51031	1.1
153.01930	2.6
164.67950	1.2
165.99065	13.5
189.12958	1.9
191.14420	3.4
212.04762	3.2
214.02748	3.3
227.03415	1.6
231.17548	1.9
240.04489	1.2
245.19115	8.2
284.03302	72.4
288.12494	1.3
289.18060	1.9
291.19699	25.6
296.68701	1.5
299.05618	100.0
300.02725	4.7
304.12857	2.2
315.05115	3.8
316.16168	2.0
317.13800	1.8
318.14429	1.8
322.83853	1.2
330.07556	1.3
330.14188	1.4
333.99423	1.4
334.17349	2.2
334.95856	1.4
335.09146	1.5
335.18692	5.9
348.15350	5.1
361.16605	9.6
377.16211	3.7
378.16324	17.5
379.01355	18.6
379.17609	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.062
Annotation	(+)-Oxoturkiyenine
Peak:m/z	Relative Intensity
62.43642	1.0
64.01930	2.8
65.00326	3.1
65.50952	1.0
65.99853	33.5
69.05649	8.9
83.05026	2.0
88.01985	1.6
89.99836	2.2
94.02991	1.7
102.03460	1.3
108.00935	4.0
110.00127	3.5
115.16235	1.3
118.03006	2.4
119.00160	7.5
120.00939	2.1
130.03064	2.0
132.00932	4.2
134.02492	2.5
134.03787	1.4
136.00427	1.8
136.98820	1.5
137.99582	1.7
142.02974	3.0
146.02498	4.2
146.99684	1.4
150.01968	1.6
158.02467	5.9
159.64189	1.1
162.01962	2.7
165.99103	5.0
171.04582	2.1
174.01970	6.1
174.99098	10.6
175.00505	1.5
175.99904	57.5
177.00233	2.7
186.01971	3.4
190.01375	1.4
202.01491	10.3
203.99390	9.9
218.01033	6.6
230.01004	7.7
238.05023	1.6
246.00444	27.2
267.03030	2.8
268.06189	2.5
273.99957	100.0
275.00305	5.2
278.08258	1.4
279.05588	1.8
280.06165	19.3
281.06625	1.9
284.03238	12.1
290.08356	1.6
294.07831	2.7
299.01990	11.7
299.05643	20.3
306.07770	4.1
322.07263	12.5
334.07196	9.6
335.20105	2.9
350.06812	2.1
370.58975	1.5
378.06207	79.0
378.26578	2.1
379.01309	4.5
379.06598	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	378.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91840	1.0
59.01385	77.6
60.01715	1.5
61.98826	5.2
69.48694	1.1
70.07420	1.0
70.07771	3.2
71.01390	1.7
72.68466	1.2
73.02914	1.1
75.62093	1.0
87.69067	1.0
89.02460	2.4
96.96059	1.8
101.02442	1.8
107.34839	1.2
121.18538	1.1
133.01515	1.5
156.04169	100.0
157.04555	2.7
161.51346	1.1
178.07330	3.4
179.05678	1.6
201.80685	1.2
204.27032	1.3
217.02988	1.2
340.12640	2.4
341.10767	2.9
342.11288	4.1
379.08414	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	378.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.7
59.03606	0.4
61.98834	100.0
63.48380	0.4
69.53159	1.9
81.22878	0.4
91.31101	0.5
158.24001	0.5
171.10255	0.6
219.97694	0.5
256.06818	0.5
275.20349	0.7
276.20349	1.0
293.21381	1.0
297.15298	1.4
378.18683	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	379.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64123	0.5
63.58365	0.5
65.00340	0.7
69.17790	3.2
70.78777	0.5
70.94840	0.5
82.00622	1.8
104.06311	0.5
110.00105	15.3
115.62812	0.5
119.05035	2.7
127.12353	0.5
133.03067	0.6
137.99596	8.4
153.01956	1.9
157.53253	0.6
164.01173	0.8
165.99091	16.3
181.01469	1.7
185.02449	0.6
187.03993	0.8
200.04817	1.4
212.04810	2.0
214.02707	2.6
217.05196	0.6
227.03506	1.0
240.04262	1.3
245.04387	0.6
255.03030	0.5
266.02039	0.6
267.03027	1.2
284.03287	56.0
285.03671	6.1
296.71201	0.5
299.05615	100.0
300.05969	9.3
379.01282	17.8
380.01474	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32941	0.4
65.00311	0.5
65.91917	0.4
69.40170	1.4
69.40575	1.1
73.67957	0.5
82.00566	1.6
98.83453	0.4
100.31789	0.5
110.00101	15.6
119.05046	2.2
137.98737	0.5
137.99608	6.8
153.01898	2.1
158.55511	0.5
164.01060	1.1
165.99091	15.1
181.01395	1.1
187.04028	1.0
200.04735	1.8
210.56290	0.5
212.04826	2.2
214.02670	2.1
227.03519	1.1
228.04301	0.5
240.04276	0.8
267.03064	1.1
284.03278	61.5
285.03638	5.4
299.05615	100.0
300.05954	9.3
379.01337	15.8
380.01620	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68586	0.4
65.00332	1.0
69.31557	1.9
75.85411	0.5
78.13894	0.5
82.00615	1.4
82.79736	0.4
105.67083	0.5
110.00102	16.0
119.05051	3.3
137.99599	8.3
153.01907	2.1
155.93777	0.4
164.01160	1.6
164.98305	0.6
165.99091	18.1
178.02655	0.5
181.01367	1.7
187.03984	0.9
190.84280	0.5
200.04813	1.4
211.04019	0.7
212.04745	2.7
214.02719	2.0
227.03548	1.0
228.04228	0.7
235.44252	0.5
240.04227	1.4
242.02211	0.6
255.03027	0.8
256.03732	0.9
267.02820	0.6
284.03271	57.9
285.03543	4.5
298.04953	0.6
299.05612	100.0
300.05917	9.3
379.01300	19.5
380.01617	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	379.013
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
65.00321	1.1
66.88940	0.8
79.95731	1.6
82.00619	1.9
82.55782	0.7
83.39121	0.6
104.66121	0.7
110.00108	26.9
111.00375	0.7
119.05016	3.2
124.36032	0.8
137.99586	12.0
149.08961	0.7
150.59595	0.8
153.01874	1.9
163.00424	1.0
164.01189	1.0
165.99080	23.4
166.99405	1.6
181.01456	1.3
187.04047	1.0
196.05217	0.9
200.04837	1.5
211.04004	1.4
212.04829	3.8
214.02678	3.2
218.90083	0.8
227.03427	1.1
239.03584	1.2
250.21367	0.7
256.03766	0.7
267.03091	0.8
283.98672	1.1
284.03265	68.1
285.03595	8.8
299.05615	100.0
300.05939	10.3
361.04681	0.8
379.01324	17.3
380.01447	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0132
Annotation	Hispidulin 7-sulfate
Peak:m/z	Relative Intensity
53.80567	0.7
59.01411	1.2
59.18855	0.8
60.84996	0.7
61.12232	0.7
65.00327	0.8
69.23997	4.3
75.05031	0.8
76.88694	0.8
77.59562	0.7
82.00615	0.9
87.00881	0.8
97.73415	0.7
100.12085	0.7
105.28245	0.9
109.06515	1.0
110.00105	13.2
117.03516	1.3
119.05058	3.9
123.34335	0.8
125.02463	1.0
135.08110	1.0
137.09743	1.4
137.99612	8.0
153.01935	2.3
164.01224	1.1
165.99081	15.7
175.11304	0.9
181.01515	1.5
191.14417	2.1
200.04790	1.8
212.04834	1.9
214.02754	2.3
217.05128	1.0
227.03754	0.8
240.04337	2.0
245.19107	3.6
256.03827	1.1
267.03046	1.2
284.03290	52.9
285.03598	5.1
289.18079	1.0
291.19690	12.4
299.05621	100.0
300.05951	10.2
335.18805	1.6
343.21051	2.1
361.16620	5.2
379.01367	18.0
379.08362	3.0
379.17639	22.5
380.01648	1.7
380.17972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84462	0.5
70.03427	1.0
82.00607	1.6
88.09637	0.4
108.93372	0.5
110.00101	18.8
119.05039	4.2
131.41884	0.5
133.02983	1.2
137.99597	10.2
146.03773	0.7
153.01912	2.3
163.00417	0.8
164.01117	0.9
165.99088	18.3
171.04520	0.7
174.03210	0.9
175.04056	2.4
181.01472	1.4
183.04488	0.5
185.02437	0.8
190.99821	0.7
199.03981	0.8
200.04843	1.4
203.03532	0.7
211.04045	1.1
212.04855	3.2
214.02652	2.0
217.05037	3.3
227.03526	1.1
230.02252	1.4
240.04306	1.3
244.98224	0.5
245.04547	4.7
256.03693	0.6
267.02893	0.9
273.04077	2.2
284.03287	60.3
285.03619	6.4
299.05609	100.0
300.05981	9.7
333.07645	0.9
379.01294	17.9
379.08521	1.2
380.01767	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	379.013
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	0.9
70.24612	2.1
82.00612	1.8
83.17785	0.8
110.00102	16.2
119.05036	2.2
131.61565	0.8
137.99623	7.2
153.01955	1.1
163.00310	0.8
164.01106	1.2
165.97806	1.4
165.99104	17.1
166.99529	1.0
181.01454	1.0
182.31976	0.7
184.56863	0.9
187.03969	1.1
211.04028	0.8
212.04779	2.0
213.01884	0.9
214.02727	1.8
227.03502	1.1
228.04227	1.0
240.04395	0.8
267.02954	1.1
284.03287	68.2
285.03549	7.3
299.02255	5.1
299.05606	100.0
300.05887	9.2
378.96475	1.3
379.01328	18.0
380.01712	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	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01891	2.4
56.79105	1.3
57.03448	2.2
59.01382	100.0
59.09885	1.6
60.42498	1.3
63.58927	1.5
69.89875	4.0
71.01385	54.8
73.02945	28.8
83.01398	3.9
85.02951	18.4
87.00854	2.2
89.02450	74.3
95.01389	5.0
98.22525	2.0
98.90170	1.3
99.00887	98.9
100.01258	1.7
101.02448	26.4
110.00073	3.0
113.02460	40.4
119.03503	17.2
125.02443	1.4
131.03523	11.9
137.99634	3.4
143.03523	3.7
149.04572	42.2
149.13356	1.5
161.04578	21.4
165.99086	6.0
179.05637	8.2
181.01407	1.9
191.05618	43.7
191.07367	2.8
192.06000	2.2
207.23663	1.6
232.68900	1.5
233.06618	7.3
247.11827	3.1
284.03305	17.8
285.03564	2.2
299.02316	2.5
299.05588	36.0
300.06027	3.9
313.31088	1.5
368.71024	1.5
379.01453	7.3
379.16141	42.3
380.16382	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	379.1769
Annotation	Chaparrin
Peak:m/z	Relative Intensity
57.03457	2.5
58.55815	0.6
59.01389	3.0
66.08093	0.6
69.03459	3.9
69.41890	2.7
69.42216	0.6
71.05022	0.7
72.87016	0.6
73.02981	0.6
93.03461	0.7
96.96024	1.0
99.36700	0.6
109.02931	0.7
114.42688	0.6
117.03509	3.8
119.05030	1.2
124.01688	3.0
133.03015	0.6
137.09711	0.7
175.11246	1.5
177.12880	2.0
185.02458	0.8
191.14449	1.2
203.14514	0.9
215.07217	0.9
217.05064	1.0
231.17538	1.7
245.19121	1.8
247.20708	5.4
252.24156	0.6
259.06137	1.2
273.18552	1.4
291.19687	31.6
292.20026	3.8
307.09845	0.8
317.17615	3.5
335.09344	2.7
335.18637	13.6
336.18970	2.1
351.08636	0.8
361.16611	7.3
362.17316	0.9
379.08337	3.5
379.17667	100.0
380.08450	0.9
380.18033	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	379.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92348	1.1
59.82299	1.3
63.54430	1.2
69.03472	1.4
69.86320	4.6
71.05022	2.3
94.04251	1.5
109.06562	2.0
115.99918	1.3
121.06593	1.8
135.08162	5.5
137.09721	6.1
149.09741	2.4
149.89879	1.3
153.25819	1.1
173.09673	1.4
175.11281	3.9
189.12877	6.4
191.14471	8.1
227.14482	1.3
229.16144	3.0
245.19133	19.3
246.19501	1.5
263.50400	1.3
273.18640	1.9
286.04440	1.2
289.18112	4.3
291.19690	70.5
292.19983	6.8
317.17566	2.0
335.18698	7.0
336.48816	1.5
361.16617	24.0
362.17007	4.3
366.89120	1.2
379.17636	100.0
380.17932	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58647	0.2
69.54427	0.2
69.71220	0.7
73.98118	0.2
79.08078	0.2
79.95746	2.3
82.99545	0.2
92.12063	0.2
96.96024	100.0
97.95966	0.3
117.03414	0.3
119.05052	0.7
227.03540	0.2
245.19075	0.2
259.06003	0.2
291.19800	0.4
299.06024	0.2
343.38184	0.2
361.16455	0.3
363.95654	0.7
378.97955	0.6
379.21643	36.1
380.11417	0.5
380.21997	3.7
386.87216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0617
Annotation	2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one
Peak:m/z	Relative Intensity
59.01387	0.9
61.98844	0.8
64.65710	0.3
69.85441	0.4
69.85743	0.8
71.01366	0.4
78.95911	50.1
85.02969	1.1
89.02419	0.6
96.95983	2.8
96.96969	100.0
98.21918	0.4
99.04568	0.5
107.03631	0.6
108.02062	1.5
126.03073	0.6
126.29578	0.3
130.08736	1.0
133.01576	5.4
133.05087	0.3
148.56036	0.4
150.04225	29.1
154.06218	0.4
163.81152	0.4
205.99945	0.7
248.01077	1.7
250.03365	1.8
268.04416	0.7
282.08466	18.8
283.08746	1.3
363.11758	0.5
380.05591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06979	0.7
57.03446	1.7
58.00595	1.6
59.01384	4.8
61.98835	100.0
62.59432	0.8
63.13971	0.8
69.03454	1.6
69.12011	5.2
71.01376	2.8
71.05024	12.0
73.02919	0.8
85.02959	2.8
86.40163	0.8
87.04539	3.7
97.02954	1.5
110.00132	1.5
111.08190	1.1
116.87011	0.9
117.89392	0.8
119.05019	2.0
125.70277	1.0
133.03079	0.9
135.04523	4.4
165.99004	1.1
166.99710	1.1
189.12885	3.3
201.12888	2.5
205.15990	4.1
217.16006	2.3
219.13847	9.6
245.19135	1.1
246.19479	1.3
265.18234	1.1
273.18625	2.5
275.20129	1.8
284.03256	6.8
285.03622	3.9
291.19687	5.1
292.19992	4.9
293.21323	2.8
300.05927	3.8
317.06732	1.9
319.19116	1.9
336.18839	1.7
337.20233	23.0
361.16428	1.4
362.17026	1.5
370.92831	0.9
379.17749	6.4
380.17944	10.8
381.10449	1.7
381.19193	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0777
Annotation	Fumaflorine
Peak:m/z	Relative Intensity
58.66543	0.9
59.01366	1.3
63.72787	1.2
65.00333	2.6
65.99862	3.0
68.99806	1.5
69.63879	4.4
74.21037	1.0
82.03020	1.4
83.01434	1.6
93.03438	1.6
96.00981	1.2
98.02483	1.7
98.21930	1.6
104.05076	1.1
105.02198	1.1
110.00127	2.2
110.02497	4.6
111.00902	3.0
120.04575	2.3
122.02531	3.5
123.03293	6.4
124.00458	2.2
124.04060	2.3
132.04576	4.6
134.02515	5.9
135.03299	6.6
136.00417	5.9
136.04065	4.1
138.02003	3.1
140.03558	6.5
145.06540	1.4
146.02560	1.2
148.04005	2.1
151.02737	7.4
155.16318	1.0
160.04059	4.4
162.01982	1.7
163.00397	1.8
163.99992	1.5
164.03519	7.5
164.98418	1.4
165.99110	2.5
166.01469	3.5
171.04541	7.3
173.06166	1.4
174.73322	1.0
175.99890	1.2
176.03539	19.8
177.04196	1.3
179.07422	1.4
188.03552	7.3
189.00696	1.1
189.04359	4.8
190.01460	1.7
192.02962	7.1
197.06161	1.3
199.07674	1.1
200.07246	2.8
202.01564	1.9
204.02992	7.5
204.07721	1.4
205.03802	2.4
206.04657	1.2
208.02554	2.3
209.06044	1.4
213.05434	1.2
217.03838	1.2
218.41742	1.1
224.07191	2.6
226.08833	2.9
228.06691	2.5
232.02528	19.9
240.06772	2.3
242.08246	57.3
243.08620	3.4
245.03343	3.3
252.06813	3.4
255.06747	3.6
258.04230	3.1
266.08255	2.4
268.06204	3.6
268.09848	4.5
269.04459	2.4
270.07739	100.0
271.08072	6.6
274.08685	1.4
280.06229	2.9
280.09842	2.0
285.03683	1.8
290.08466	2.0
291.02567	1.3
292.06342	2.2
294.07837	4.4
296.06067	1.9
296.09207	11.5
300.02444	2.7
300.06021	3.5
301.03571	14.9
308.05820	2.3
308.09268	15.9
309.09747	1.4
318.07895	1.6
322.07254	1.2
332.31213	1.1
336.08789	67.5
337.09195	7.8
338.10355	6.2
352.08365	2.3
380.07864	68.3
380.12589	11.6
381.08160	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	380.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77039	1.3
55.99081	1.5
57.30008	1.6
58.04089	6.1
61.98830	1.5
62.06470	1.3
62.75414	1.4
64.25040	1.5
65.00336	10.3
65.99850	1.7
68.99824	6.5
72.11075	2.0
80.05067	2.6
82.00621	4.4
83.01395	1.8
93.03461	10.1
98.21868	2.9
105.03499	2.9
110.00111	23.7
111.00953	2.9
117.03441	2.5
119.05051	2.0
120.99364	2.0
122.06120	3.7
132.04588	2.0
134.02524	2.4
135.04544	1.9
136.98834	10.5
137.99626	10.3
138.05612	3.4
139.00401	5.8
148.04036	3.0
155.04993	2.1
158.02472	2.9
161.02454	2.7
162.05663	2.2
164.08417	2.4
164.98370	2.1
165.00729	4.9
165.99112	20.0
166.05145	5.3
166.99745	4.3
169.06592	2.6
171.04526	30.8
173.06163	2.3
175.99881	2.8
177.01985	3.0
181.06551	3.2
188.98331	7.1
189.99066	5.3
190.05113	1.5
199.04053	1.9
200.03499	2.9
201.05692	1.9
204.07838	3.8
213.05515	2.8
215.99411	2.1
216.97839	5.8
223.07739	2.0
225.05530	3.5
231.02834	1.6
232.07512	2.2
234.03883	1.8
237.05484	2.3
237.09212	2.6
241.05084	16.5
243.06642	2.0
244.02496	7.6
255.03035	2.1
265.05258	3.4
265.08710	11.9
266.11969	1.7
268.06067	2.9
269.04550	17.8
269.07098	2.8
270.05334	66.6
270.07782	4.6
271.05710	7.0
274.08499	3.1
276.01819	1.6
276.99921	15.0
284.03314	2.7
285.03665	9.5
292.09927	1.7
293.04617	2.7
293.08383	2.0
294.11746	6.3
299.02255	2.5
299.05850	2.8
300.02310	6.4
300.05978	16.3
301.03555	53.2
310.10867	1.9
320.05844	2.0
320.09302	4.6
336.09549	2.2
336.13516	8.2
338.10342	34.9
339.05078	5.0
339.10699	3.5
348.04593	3.3
348.08771	50.3
349.09128	6.8
352.13055	1.9
362.11600	2.8
380.07828	5.5
380.12259	100.0
380.99200	3.9
381.06195	27.3
381.12589	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	380.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04108	8.9
65.00298	1.1
67.10782	0.9
68.99825	6.4
70.34884	1.6
70.68846	1.0
84.05683	1.0
93.03471	14.8
101.03899	1.1
105.03445	2.2
110.00125	2.9
121.02989	1.4
122.06141	3.7
138.05618	3.9
145.06595	2.4
148.04054	1.2
164.08255	5.4
165.99133	1.9
166.05121	1.2
168.49821	0.9
169.06644	1.2
171.04529	30.5
172.88466	1.2
173.06108	2.4
192.00398	1.0
204.07845	1.8
206.05850	1.5
223.07701	1.0
237.09219	2.3
241.04993	5.1
247.07574	1.3
251.28329	1.0
252.10361	1.3
265.08740	4.4
266.09149	1.1
266.11829	1.6
269.04623	2.5
270.05301	6.4
270.07840	1.9
274.08340	1.6
291.06885	1.4
294.11893	1.6
300.05862	1.3
301.03583	2.5
310.11023	2.2
320.09332	2.1
336.13550	3.3
338.10367	22.4
339.10745	3.3
352.13214	1.7
362.11386	3.7
380.12527	100.0
381.05838	1.4
381.12778	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	380.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26596	2.0
65.00323	2.9
65.01461	3.6
68.01432	3.0
68.99834	3.0
82.00623	3.6
83.02477	2.4
91.28545	1.9
93.03465	3.6
99.75100	2.2
108.02057	3.2
110.00110	47.9
134.06114	5.1
136.04060	7.1
136.98810	3.6
137.99599	16.5
147.04448	2.9
152.01057	5.3
161.03496	2.5
162.05496	3.2
165.99094	49.9
166.05078	2.0
166.99454	4.1
171.04520	10.0
178.99878	3.5
188.08336	4.2
190.06229	3.3
204.07799	48.6
205.08119	2.4
206.03362	3.4
213.05559	2.6
214.06299	4.5
216.06700	4.7
232.07257	15.0
237.09132	2.6
238.09729	2.8
241.05103	2.9
242.05850	4.9
246.08798	5.7
256.07248	12.1
265.08664	6.9
269.04492	4.9
270.05350	100.0
271.05801	12.5
274.08353	32.7
275.08911	2.4
294.11819	3.0
300.05914	6.8
301.03436	5.5
336.13489	6.3
338.10367	79.1
339.10648	10.6
380.08102	3.8
380.12540	55.3
381.06158	3.4
381.12759	6.1
384.89630	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	380.1566
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
54.13169	1.2
56.44949	1.6
59.01385	24.1
61.98824	3.0
63.18213	1.2
63.80386	1.1
65.83174	1.2
69.04917	5.8
69.05335	4.7
69.23447	1.3
71.01391	31.8
71.05032	6.4
73.04102	1.1
73.55000	1.2
80.07233	1.1
83.01324	1.6
85.02963	3.6
88.04053	4.4
89.02455	9.8
95.01392	1.6
97.75324	1.3
98.21877	2.2
99.04533	2.3
101.02453	9.5
113.02484	4.2
116.07187	2.6
119.03506	2.6
128.07133	2.1
146.08253	54.3
147.08582	3.2
154.06221	2.2
217.00275	2.0
308.13626	4.0
380.15643	100.0
381.15927	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.9922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43005	0.5
65.00322	0.7
67.01881	0.6
69.30609	2.5
69.31004	0.9
95.01379	1.2
98.21856	1.0
109.12054	0.4
111.00883	9.2
123.00875	2.0
125.02432	1.1
129.20811	0.5
133.02979	1.3
135.04509	3.1
136.98831	1.5
137.02477	0.8
139.00391	11.1
149.02469	0.8
151.00348	0.9
156.56696	0.4
159.04526	0.8
161.02441	0.6
164.61024	0.5
164.98276	1.3
165.01947	0.6
165.99092	0.7
166.99898	5.5
175.03973	0.5
177.01952	1.5
183.04591	0.6
185.06166	0.8
187.03984	1.1
201.05527	1.0
211.03990	1.4
215.03534	1.3
229.05142	0.8
233.04625	0.8
239.03526	1.5
255.02933	1.2
256.00964	0.5
257.04672	0.5
259.02518	0.6
278.49930	0.5
283.02551	0.7
301.03543	100.0
302.03912	8.9
306.89313	0.5
352.11179	0.4
380.99301	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	380.9922
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.9
68.99865	0.3
69.39320	0.6
69.39705	0.9
83.01399	0.9
95.01379	1.5
97.02958	0.3
99.00879	0.6
109.02950	0.8
110.00114	0.4
111.00890	9.2
117.03497	0.3
121.02960	0.5
123.00896	2.8
125.02441	1.1
125.49097	0.3
133.02946	1.2
134.03706	0.4
135.04535	3.6
136.98822	1.3
137.02460	0.7
139.00394	10.9
140.00693	0.4
147.00888	0.4
149.02460	0.9
150.02838	0.3
151.00403	1.9
159.04541	0.8
161.02438	0.7
164.98293	1.1
165.01994	0.4
165.99110	0.5
166.99864	6.3
167.05055	0.4
171.04497	0.3
173.06079	0.3
175.04007	0.3
177.01918	1.6
182.03722	0.4
183.04468	0.6
185.02472	0.5
185.06158	0.7
187.04039	1.0
189.05580	0.4
192.00787	0.6
193.01447	0.6
201.02010	0.7
201.05618	1.2
203.03572	0.4
211.04034	1.3
213.01894	0.3
213.05405	0.4
214.02727	0.4
215.03488	1.6
227.03543	0.5
229.04982	0.7
233.04623	0.8
239.03516	1.2
241.01476	0.4
242.02248	0.3
245.04585	0.3
255.02992	1.3
257.04556	0.6
259.02502	0.6
261.07706	0.4
273.04086	0.5
283.02524	1.5
284.02930	0.3
289.18210	0.5
301.03555	100.0
302.03876	9.1
337.20288	1.1
380.99231	4.6
381.09787	0.6
381.19171	2.4
381.99557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.9923
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	1.4
67.01899	0.6
68.99828	0.4
71.45506	0.5
83.01391	1.1
85.89430	0.4
91.91813	0.4
93.12336	0.4
95.01387	1.5
109.02959	0.4
110.00114	0.5
111.00893	12.7
119.55135	0.4
121.39469	0.3
123.00888	3.1
125.02456	1.7
133.02963	2.0
134.03758	0.5
135.03575	0.6
135.04546	3.7
136.98808	1.5
139.00383	12.8
145.06572	0.5
149.02460	0.9
151.00417	1.8
157.06615	0.4
159.04506	0.9
161.02492	0.7
164.98325	0.7
165.02032	0.5
165.99039	0.6
166.99883	7.7
171.04474	0.5
173.02441	0.5
175.04036	0.4
177.01950	2.6
183.04474	0.7
185.06059	0.8
187.04041	1.6
187.49049	0.4
192.00716	0.5
193.01479	0.5
201.01974	1.1
201.05569	1.6
211.04007	2.0
212.04349	0.5
215.03522	1.7
223.03331	0.4
227.03644	0.7
229.05151	1.2
233.04515	0.6
239.03485	1.3
241.01369	0.4
255.03040	0.9
257.04614	0.7
259.02686	0.8
283.02386	1.1
284.02808	0.4
301.03552	100.0
302.03891	9.7
302.06421	0.3
326.35654	0.4
352.75931	0.4
380.99197	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	380.9925
Annotation	Tricetin 3'-sulfate
Peak:m/z	Relative Intensity
54.48214	0.7
56.20938	0.7
65.00314	1.3
67.01889	0.7
69.10494	5.2
95.01388	1.3
103.89313	0.7
111.00893	12.5
112.01186	0.7
123.00916	3.5
125.02437	1.2
133.03004	1.3
135.04536	5.3
136.98813	2.6
138.99330	0.9
139.00395	15.4
149.02493	1.1
151.00325	1.8
159.04584	1.2
163.00262	0.9
164.98297	1.0
165.99057	1.0
166.99898	3.9
177.02036	0.8
187.04012	1.8
189.05643	0.7
201.05562	1.2
211.03926	2.1
215.03458	1.7
229.05019	1.2
233.04456	0.9
239.03534	1.8
258.01633	1.1
283.02493	1.5
299.01996	1.2
301.03561	100.0
302.03897	8.3
318.17233	1.0
380.99249	16.9
381.99564	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28032	0.7
63.02393	1.3
65.00085	0.6
65.00332	7.0
67.01928	0.7
70.15222	0.7
70.18066	1.9
91.01909	2.6
92.99817	1.0
96.99356	0.7
107.01401	1.4
117.03475	30.7
118.03799	0.9
120.99314	0.8
135.00905	11.9
136.98799	4.9
143.05054	1.8
159.04503	3.9
161.37209	0.8
163.00392	28.6
164.00758	1.2
164.98311	9.3
165.98987	0.8
167.05074	1.0
169.03036	0.9
171.04373	0.9
173.06131	1.1
182.03714	1.2
183.04530	11.6
185.02466	3.9
187.03987	1.3
191.57805	0.7
195.04449	1.0
200.38745	0.7
211.03934	3.9
215.94099	0.8
227.03481	10.6
228.03899	1.3
239.03609	1.3
255.03006	32.2
256.03375	2.4
261.08060	1.0
268.03708	0.9
269.04706	1.3
283.02502	83.5
284.03073	16.3
285.03653	1.4
309.07681	2.1
335.09341	3.4
336.09525	0.7
363.09109	1.0
381.09808	100.0
382.10135	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	381.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97286	0.5
56.31469	0.5
63.02406	0.7
65.00327	5.5
69.46936	0.9
69.47325	1.4
91.01920	3.1
92.99835	0.8
96.99329	0.6
107.01402	1.0
117.03482	29.0
118.03806	1.2
130.03090	0.5
135.00890	11.4
136.01247	0.7
136.98851	3.7
143.05019	1.7
144.17592	0.5
152.39088	0.5
159.04512	2.9
163.00395	26.2
164.00766	0.7
164.98322	8.1
165.98785	0.9
167.05125	0.7
169.03041	1.0
182.03674	0.9
183.04520	10.3
184.04919	0.7
185.02449	3.8
187.04088	1.6
195.04424	0.7
199.04062	0.9
210.03444	0.7
211.03993	4.4
227.03520	9.9
228.03757	0.7
239.03503	1.1
255.03012	29.2
256.03433	2.7
276.27332	0.7
283.02524	74.4
284.02853	7.2
309.07635	2.8
381.09827	100.0
382.10184	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	381.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27689	1.2
56.17077	1.2
56.78849	1.2
59.96728	3.2
71.42509	1.2
74.99084	31.8
75.96239	1.3
91.02222	46.7
93.00151	16.1
100.90156	1.2
129.17355	1.4
140.50769	1.2
143.05286	2.1
159.08488	100.0
160.08746	5.5
161.06415	13.9
258.49933	1.5
365.10968	2.4
381.09766	2.4
383.70880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1923
Annotation	Viguilenin
Peak:m/z	Relative Intensity
57.03443	1.1
58.00597	1.4
59.01392	4.0
61.98827	1.5
69.46587	2.5
71.01388	11.9
71.05016	1.4
72.02166	0.6
73.02950	20.7
80.02671	0.7
83.05070	0.7
85.02957	2.0
87.00858	0.8
87.04539	0.7
90.23763	0.6
97.02949	1.3
98.02180	0.6
99.04535	1.7
101.02451	13.4
110.00091	1.2
111.04543	0.9
118.03794	0.7
119.05033	2.5
121.06570	1.3
124.01648	2.2
125.02417	0.6
125.09711	1.6
130.48186	0.8
135.04510	1.2
136.98784	0.7
137.09752	1.1
143.83682	0.6
165.09224	2.2
165.99156	1.6
179.03615	0.6
189.09247	0.9
189.12830	3.8
193.12320	0.8
199.11250	0.8
205.12405	2.2
217.12350	2.9
218.01140	0.7
219.06615	0.7
219.13885	5.3
244.14629	0.8
259.16977	2.4
273.18619	9.1
274.19077	0.7
275.20184	2.4
283.02496	1.2
284.03265	10.6
285.03699	1.3
286.03748	1.1
291.19678	1.6
293.21216	13.9
294.21503	2.5
299.05679	4.4
300.06061	0.8
301.03372	0.7
301.06415	1.8
319.19232	4.2
334.70377	0.6
337.20233	13.8
363.18076	4.8
381.09546	2.8
381.19202	100.0
382.19543	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
58.00605	1.2
59.01391	9.4
61.98836	13.2
69.03444	0.9
69.28983	3.1
69.29391	2.3
71.01391	4.6
71.05022	2.5
73.02936	2.1
74.09911	1.0
78.95903	1.0
82.65699	0.8
85.02969	5.1
87.04522	7.9
89.02471	1.8
96.96012	1.0
97.02956	1.7
97.06607	1.2
99.00854	1.4
99.04534	2.4
101.02438	1.9
101.06091	39.3
105.05531	0.8
113.02468	1.1
115.07648	10.8
119.05043	1.6
121.06614	1.0
124.01673	1.6
135.04523	3.1
135.06644	3.1
140.34955	1.0
142.72519	1.0
143.07182	1.8
147.08224	1.3
157.10239	2.0
158.06175	1.1
158.07434	2.1
161.04597	1.2
169.10324	1.2
171.08176	5.7
173.09727	11.9
184.08965	4.2
185.09785	5.9
186.06921	1.3
187.07620	2.8
187.11290	3.9
199.11385	2.5
200.08479	1.8
201.09245	7.3
201.12849	2.0
203.09103	1.8
203.10793	11.3
204.11153	1.0
217.12312	4.7
229.16052	1.2
241.16090	1.3
257.15439	3.9
259.16934	1.9
275.20010	4.3
279.10794	4.8
297.11890	1.7
300.90436	0.9
319.18912	1.7
337.20227	67.6
338.20520	6.9
363.18173	2.0
365.89841	1.2
381.19214	100.0
382.11594	1.4
382.19498	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	381.1922
Annotation	Viguilenin
Peak:m/z	Relative Intensity
57.03437	2.1
58.00605	1.2
59.01391	9.4
61.98836	13.2
69.03444	0.9
69.28983	3.1
69.29391	2.3
71.01391	4.6
71.05022	2.5
73.02936	2.1
74.09911	1.0
78.95903	1.0
82.65699	0.8
85.02969	5.1
87.04522	7.9
89.02471	1.8
96.96012	1.0
97.02956	1.7
97.06607	1.2
99.00854	1.4
99.04534	2.4
101.02438	1.9
101.06091	39.3
105.05531	0.8
113.02468	1.1
115.07648	10.8
119.05043	1.6
121.06614	1.0
124.01673	1.6
135.04523	3.1
135.06644	3.1
140.34955	1.0
142.72519	1.0
143.07182	1.8
147.08224	1.3
157.10239	2.0
158.06175	1.1
158.07434	2.1
161.04597	1.2
169.10324	1.2
171.08176	5.7
173.09727	11.9
184.08965	4.2
185.09785	5.9
186.06921	1.3
187.07620	2.8
187.11290	3.9
199.11385	2.5
200.08479	1.8
201.09245	7.3
201.12849	2.0
203.09103	1.8
203.10793	11.3
204.11153	1.0
217.12312	4.7
229.16052	1.2
241.16090	1.3
257.15439	3.9
259.16934	1.9
275.20010	4.3
279.10794	4.8
297.11890	1.7
300.90436	0.9
319.18912	1.7
337.20227	67.6
338.20520	6.9
363.18173	2.0
365.89841	1.2
381.19214	100.0
382.11594	1.4
382.19498	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	381.1923
Annotation	Viguilenin
Peak:m/z	Relative Intensity
55.01893	1.6
56.73837	0.6
57.03459	12.8
59.01388	15.5
59.01672	1.3
64.75977	0.6
65.00330	0.7
69.03475	2.0
69.99724	1.1
70.00047	1.3
71.01386	12.6
71.05029	4.3
73.02949	7.5
78.75575	0.6
83.01424	2.9
83.05067	0.9
85.02962	31.9
86.03320	0.8
89.02476	2.5
95.01395	0.8
95.05045	0.6
97.03004	2.5
97.06631	2.0
99.00885	3.7
101.02453	14.4
105.07133	1.4
109.06539	1.0
111.00944	0.9
113.02482	4.2
117.03473	3.9
121.06606	12.8
123.08228	1.1
124.01717	2.0
131.08664	0.8
133.03011	1.4
133.31941	0.7
135.04599	0.8
137.09814	1.2
148.55855	0.8
159.04553	0.9
161.04605	5.1
183.04599	1.1
185.02473	1.2
186.89619	0.7
187.11269	0.9
205.15965	3.4
241.16069	1.2
249.13464	21.9
250.13960	1.3
257.19080	1.3
261.07874	2.6
263.64291	0.8
275.20306	1.9
291.19739	0.7
293.21417	1.9
300.02960	2.0
300.52655	0.8
319.19376	1.4
337.20267	27.5
338.20593	3.1
363.18167	1.5
368.75787	0.6
381.10480	6.5
381.19196	100.0
382.19543	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1924
Annotation	Viguilenin
Peak:m/z	Relative Intensity
53.08474	0.4
57.03454	5.3
59.01388	2.5
69.03442	0.8
69.60056	2.1
70.56223	0.5
71.01388	1.5
71.05026	22.0
72.05383	0.7
83.05030	5.1
85.02966	3.3
87.04533	1.2
94.81888	0.4
97.06618	2.8
98.21918	0.7
109.06611	1.6
119.05034	0.7
121.06591	4.6
123.08163	1.2
124.01659	2.2
125.09741	51.9
126.10093	2.4
135.08138	0.6
147.08255	0.5
151.11290	1.1
169.08623	0.5
175.07689	0.7
187.76845	0.5
189.12839	1.5
190.37663	0.4
191.14453	1.0
201.12817	0.8
203.14494	0.7
205.15967	2.5
217.16005	0.9
219.06657	1.1
219.13940	2.3
221.15523	2.0
235.17165	0.4
243.17470	2.1
245.19228	0.6
255.17558	0.6
261.18683	0.8
273.18658	3.6
275.20200	1.4
291.19727	1.8
292.19913	0.5
293.21164	4.4
301.03482	1.4
301.17834	0.5
319.19174	0.9
337.20245	21.2
338.20578	2.7
363.18182	3.0
381.19223	100.0
382.19565	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	381.1921
Annotation	Viguilenin
Peak:m/z	Relative Intensity
55.16987	0.7
57.03444	1.1
59.01390	3.9
69.03456	4.7
71.01389	1.4
71.05024	2.1
73.02944	1.5
73.68860	0.7
80.80007	0.7
83.05020	1.7
85.02912	1.8
95.01437	1.0
97.02970	3.5
97.06606	0.8
98.03735	1.7
99.04527	4.5
101.02434	1.1
107.05036	1.2
109.06573	1.1
111.00897	4.3
117.03481	2.2
121.06615	9.7
133.02911	1.8
135.04552	1.8
135.08223	1.7
137.09695	1.3
139.00391	4.5
149.02472	0.8
149.09862	0.9
151.11360	1.0
159.04584	1.0
163.07709	1.1
163.11360	0.8
166.99855	2.0
171.11757	0.9
185.02435	1.2
187.11317	1.0
189.12802	3.6
191.14514	1.1
235.13408	0.9
245.19157	2.9
249.13611	1.0
255.03055	1.1
257.19183	1.3
261.07605	2.6
263.20273	1.1
271.17090	4.4
275.20193	2.1
289.18152	16.2
290.18451	2.4
291.19757	1.0
293.21344	1.2
301.03568	36.4
301.18167	0.8
302.03763	4.6
307.19193	1.3
319.19266	1.0
337.20221	44.4
338.20706	5.2
363.18024	2.0
372.58679	0.7
380.99142	2.2
381.09879	3.8
381.19223	100.0
382.19577	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	381.1922
Annotation	Viguilenin
Peak:m/z	Relative Intensity
57.03461	0.9
57.67087	0.5
58.00577	0.5
59.01375	2.3
59.98521	0.5
69.03458	3.0
71.01411	0.5
71.05015	1.5
73.02955	4.4
75.59966	0.4
83.05022	1.0
85.02966	4.3
95.05007	0.5
97.02972	1.6
97.06594	0.8
98.03738	1.4
99.04527	5.5
109.06574	1.3
111.08164	2.0
117.03465	2.8
119.05052	0.5
119.35337	0.4
121.06607	0.9
123.08148	1.4
130.82573	0.5
130.91309	0.5
133.02948	0.6
135.08148	0.7
137.09750	0.7
149.02464	0.5
149.06137	0.5
149.09749	0.9
151.11320	1.4
153.09222	0.6
159.04501	0.5
185.02402	0.6
189.12851	0.9
191.14471	0.6
193.01477	1.3
205.16016	1.2
219.13884	1.1
220.02510	1.0
221.15479	0.7
229.15971	0.5
231.13896	2.7
243.17386	0.5
245.19092	1.2
251.03441	0.6
252.04486	0.5
255.02943	0.6
257.04565	0.6
261.07669	1.7
261.18625	1.3
263.20178	8.5
264.20618	0.7
270.05292	0.5
273.18539	0.6
275.20227	2.7
276.20428	0.5
289.18219	0.6
291.19717	0.8
301.03574	1.9
301.18155	0.6
303.16287	0.6
307.19095	3.3
311.05579	3.0
319.19284	3.2
320.19614	0.7
326.06610	0.5
337.20239	33.6
338.20569	3.2
339.04987	0.8
341.02933	0.5
349.01068	0.5
354.06161	0.6
363.18185	1.0
381.09595	2.8
381.19208	100.0
382.05701	13.5
382.19565	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1921
Annotation	Viguilenin
Peak:m/z	Relative Intensity
51.51415	0.4
57.03451	1.2
58.00610	2.3
59.01375	0.9
59.98526	0.7
60.71824	0.4
69.03442	0.8
69.78324	1.1
70.40132	0.4
71.05025	0.6
72.10537	0.4
80.02725	0.5
83.05045	1.0
85.02958	1.7
87.04031	0.7
87.04521	8.4
93.03445	0.4
96.96027	0.5
97.02961	5.7
97.06605	0.6
98.03774	1.8
99.04529	5.6
112.05339	0.4
112.64089	0.4
117.03520	0.5
119.05038	0.6
123.08140	0.5
124.01695	1.4
124.75666	0.3
133.02968	0.5
147.08192	0.6
149.09750	0.6
151.11266	0.9
157.10294	0.5
158.07417	0.8
159.11853	0.5
161.09749	0.8
169.10223	0.7
171.08165	3.7
172.08937	1.4
173.09766	3.2
174.10445	0.6
175.11287	2.9
177.12831	2.0
182.94038	0.5
183.11845	0.7
184.08943	0.9
185.09727	2.2
185.13438	0.4
187.11287	12.2
188.11710	0.6
189.12863	4.9
190.09988	0.5
190.13234	0.4
191.14386	0.7
199.11282	0.8
200.08459	0.4
201.09190	1.4
201.12878	0.9
203.10785	3.2
203.14464	0.7
205.12340	16.6
206.12648	1.2
207.13927	3.5
217.12369	2.9
219.13921	2.1
229.15987	0.6
231.17564	0.8
235.13399	3.9
237.14992	0.6
241.16042	0.7
245.19151	0.8
257.15503	1.0
261.18521	0.7
263.20157	3.9
264.20499	0.5
273.18713	0.7
275.20227	0.6
291.19742	1.1
293.21262	4.0
294.21671	0.6
307.19125	0.7
319.19156	14.2
320.19516	1.5
337.20230	40.4
338.20575	4.6
355.21371	0.6
363.18051	2.5
364.18481	0.5
381.19214	100.0
382.19571	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	381.1921
Annotation	Viguilenin
Peak:m/z	Relative Intensity
53.55796	0.6
57.03444	2.6
58.00605	3.4
59.01379	0.7
61.98838	10.4
63.40669	0.6
69.03459	4.7
69.07372	4.4
71.01392	6.9
71.05030	23.9
73.02950	2.5
85.02956	5.1
87.04517	9.2
97.02957	2.9
97.06613	1.1
99.00871	1.4
109.06602	0.8
110.00097	1.1
111.08165	0.9
119.05052	1.5
123.08183	0.7
135.04512	3.7
135.08215	0.9
137.05951	0.6
149.09680	1.0
165.09161	0.7
186.10558	0.8
189.12834	5.7
190.13173	0.9
191.14404	1.5
199.98224	0.7
201.12852	7.3
202.13092	0.7
203.14447	1.6
205.15977	8.6
217.15897	5.4
219.13913	15.3
220.14186	1.4
235.17091	1.5
240.52022	0.7
243.17528	0.9
255.03114	1.3
255.17587	2.0
257.19223	1.8
261.18600	2.5
265.18076	2.1
273.18582	3.4
275.20099	4.6
284.03281	10.0
285.03546	1.0
291.19647	2.2
292.19916	0.7
293.21295	5.4
299.05740	1.5
301.03555	1.4
319.19037	3.7
337.20230	68.9
338.20590	7.0
363.17822	1.0
381.09750	3.9
381.19208	100.0
382.19568	11.9
403.43271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1922
Annotation	Viguilenin
Peak:m/z	Relative Intensity
57.03456	1.7
58.00605	2.6
59.01389	1.5
59.98520	1.0
69.03440	0.7
71.01394	0.3
71.41939	0.4
73.74929	0.3
83.05018	0.8
85.02957	3.9
87.04520	8.3
96.96014	0.3
97.02961	5.4
97.06600	0.6
98.03749	2.0
99.04529	6.0
101.76688	0.3
102.73682	0.3
105.17530	0.3
106.30009	0.2
113.06098	0.4
115.87064	0.3
119.05108	0.4
123.08163	0.5
124.01665	1.5
124.89559	0.3
133.10188	0.3
135.08186	0.4
137.09660	0.5
147.04665	0.3
147.08170	0.9
149.09721	0.7
151.07657	0.5
151.11304	0.9
157.10228	0.8
158.07367	0.3
159.08136	0.5
159.11833	0.4
161.09741	0.7
163.09464	0.3
163.11252	0.3
167.10857	0.4
169.10201	0.8
171.08154	3.9
171.11771	0.4
172.08949	1.8
173.09723	3.0
174.10446	0.6
175.11276	2.6
177.12880	2.3
183.11891	0.3
184.03224	0.3
184.08920	1.4
185.09750	1.9
185.13361	0.6
187.07668	0.5
187.11302	12.0
188.11688	0.6
189.12859	4.2
190.13199	0.5
191.14453	1.2
199.11293	1.0
201.09296	1.7
201.12840	1.3
203.10812	3.3
203.14441	0.7
204.11234	0.4
205.12343	16.2
206.12669	1.4
207.13902	3.4
209.15378	0.4
217.12277	2.4
219.13911	2.2
221.15709	0.3
229.15921	0.7
231.17552	0.4
235.13402	3.9
236.13666	0.5
237.14854	0.5
241.15958	1.1
245.19040	0.7
255.17598	0.3
257.15536	0.8
259.16986	0.4
261.18655	0.6
263.20230	3.1
264.20877	0.3
273.18616	0.8
275.20071	1.0
291.19739	1.1
293.21277	3.4
294.21677	0.4
301.18060	0.4
301.41028	0.3
303.16013	0.4
307.19211	0.9
319.19159	16.1
320.19580	2.2
337.20239	42.4
338.20599	4.9
363.18335	2.0
381.19220	100.0
382.19562	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	381.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31489	0.5
59.46606	0.6
65.28722	0.6
71.17348	0.9
75.62466	0.6
79.95741	13.1
80.96510	1.7
89.03304	0.5
94.98080	1.5
95.95240	2.6
96.96021	87.2
105.28908	0.6
122.97561	4.2
143.01212	0.6
145.11096	0.6
155.86369	0.5
197.02786	1.9
239.07487	1.4
253.09093	4.5
256.25961	0.6
264.58365	0.6
267.10464	1.2
381.23233	100.0
382.23599	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
59.57122	1.2
70.63744	2.2
74.04283	1.3
79.95744	10.7
85.61399	1.2
94.93625	1.2
95.95267	1.7
96.96022	68.9
122.97563	3.6
127.84264	1.2
183.01163	2.0
197.02803	6.4
220.32916	1.2
267.36255	1.5
359.91638	1.6
381.23206	100.0
382.23434	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	381.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91037	0.5
56.66429	0.6
57.01549	0.6
59.01374	0.8
66.70415	0.5
70.08728	1.9
73.17078	0.6
79.95744	14.5
80.96523	1.3
84.73794	0.7
88.97913	0.7
89.04635	0.5
94.98106	1.2
95.95258	3.9
96.96018	100.0
119.22001	0.6
122.97579	5.8
132.69801	0.6
183.01247	1.0
183.85497	0.7
197.02849	3.4
206.37163	0.6
222.92906	0.6
239.07564	0.8
247.34117	0.6
253.09023	1.9
267.10867	0.9
381.23178	78.9
382.23627	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	381.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94698	0.6
56.15005	0.6
59.56162	0.6
63.82072	0.6
64.97034	0.6
70.64056	0.9
79.95747	12.5
80.96539	1.0
93.89211	0.6
94.98110	0.9
95.95241	3.6
96.96021	100.0
112.62373	0.6
122.97617	4.1
170.19872	0.6
197.02785	1.1
217.05324	0.7
289.79355	0.6
360.31592	0.6
381.23196	80.4
382.23499	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	381.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34330	1.1
56.74746	1.3
70.68147	1.7
79.95746	8.4
80.96487	2.4
87.11264	1.2
95.95261	1.6
96.96021	70.0
116.92881	2.0
122.97569	3.3
129.92873	1.3
197.02789	3.3
202.92630	1.3
352.16846	1.2
381.23169	100.0
382.23599	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	0.5
60.20015	0.3
61.15336	0.4
64.57482	0.3
69.76994	1.3
78.95902	0.4
79.05123	0.3
98.22591	0.4
101.05981	0.4
109.06562	0.5
111.08121	0.4
117.03441	1.2
119.04978	0.6
130.22540	0.4
135.00835	0.6
136.98819	0.4
137.06059	0.6
138.06912	2.1
139.77626	0.4
147.33960	0.3
149.06050	1.2
151.07599	1.4
152.99568	0.6
153.36272	0.4
160.27344	0.3
163.00339	0.9
164.08345	0.5
164.98117	0.4
165.09206	0.5
170.05882	3.2
183.01295	0.4
183.04314	0.4
192.11514	0.8
209.64297	0.5
224.58220	0.3
233.19087	1.3
235.20743	0.9
249.18619	0.5
250.45050	0.4
251.20203	3.0
255.02997	1.2
261.18695	0.5
277.18097	80.9
278.18433	9.2
278.21298	0.2
279.19666	25.8
280.20117	2.5
283.02499	2.3
284.03079	0.5
293.12872	0.4
295.19156	100.0
296.19525	10.9
297.15292	1.5
301.00381	0.4
312.17172	1.0
323.16910	1.3
345.24301	0.8
363.25443	15.5
364.25632	1.9
381.09818	4.3
381.26520	6.3
382.10153	0.4
382.26868	1.5
392.78430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52653	0.6
57.79405	0.4
59.01374	0.8
61.98826	1.4
62.35788	0.5
69.18373	2.3
69.18775	1.0
71.05011	1.1
76.91608	0.5
77.42236	0.6
77.52673	0.6
78.95878	1.3
90.23280	0.4
91.12775	0.4
119.05077	0.6
119.71561	0.5
127.11314	0.7
129.83121	0.5
138.06801	1.1
148.44817	0.5
151.11305	1.0
152.99585	1.1
153.12846	2.9
155.14442	0.8
163.11304	1.6
165.12860	4.2
170.05843	2.3
179.10797	13.5
180.11102	0.9
181.12360	35.0
182.12679	2.4
195.10262	2.1
197.11832	3.0
199.13406	100.0
200.13756	6.7
215.12895	2.2
217.00345	1.2
290.58975	0.5
312.17145	0.5
323.17154	0.8
363.25443	4.7
381.11340	3.1
381.26559	3.7
382.26993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0933
Annotation	Torulosine
Peak:m/z	Relative Intensity
65.00330	6.5
65.99887	0.4
68.99848	1.0
69.03492	0.2
70.39055	0.2
70.99498	0.3
70.99837	0.3
72.21481	0.2
75.02440	0.4
79.01895	1.5
81.03461	1.4
82.03012	0.3
83.69230	0.3
84.04551	3.9
89.00371	0.4
95.37643	0.2
96.00990	0.4
96.04565	2.2
99.00920	0.7
101.03999	0.4
103.01929	0.5
105.03491	0.6
106.02996	19.9
107.01371	2.4
107.03350	0.5
109.01777	0.5
109.02957	5.0
110.02557	0.5
115.05615	0.2
117.03478	0.6
119.01418	0.6
120.04602	0.3
121.01752	0.3
121.03012	0.3
122.06136	2.3
123.00880	0.6
124.04079	1.0
127.05650	0.3
130.78079	0.3
131.01402	1.7
132.02179	0.3
133.02946	0.3
134.02502	1.5
135.00888	2.2
135.04604	0.3
136.00412	0.3
139.04060	0.8
143.05049	0.6
145.06651	0.8
146.06178	1.0
147.00961	1.0
147.03336	0.4
147.04561	0.4
148.01695	1.1
148.04109	0.8
149.02466	0.6
150.01974	5.8
151.00383	0.4
151.05605	0.4
153.05693	0.4
153.07268	0.4
158.02458	0.3
159.00935	0.8
160.00497	0.3
163.04034	1.6
165.00697	1.3
165.01993	2.5
166.05109	11.8
167.03516	7.0
167.04955	0.3
167.05495	0.3
169.06601	0.9
171.04518	4.2
174.02014	0.5
175.00427	1.1
176.01215	0.4
178.01466	13.0
179.01881	0.6
179.03493	0.4
181.05090	1.0
181.06572	0.6
183.03087	0.3
187.00424	0.5
189.01912	0.2
190.01418	0.4
190.05110	8.4
190.06799	0.4
191.03540	0.3
191.05548	0.6
192.03127	1.2
193.01419	5.3
194.01836	0.5
196.02504	3.1
201.99042	0.4
202.01465	0.5
202.99915	1.6
204.30534	0.3
205.06708	0.3
206.04675	0.7
207.03020	2.8
207.08165	0.6
209.06061	2.1
210.04086	23.5
211.04408	0.9
213.05618	0.3
216.03108	0.4
217.01616	0.4
221.05995	0.3
228.10338	0.8
234.04100	10.9
235.02475	11.3
235.04718	0.7
235.07678	0.9
236.02019	1.7
240.06694	0.3
242.08253	0.3
244.02567	0.4
251.21536	0.2
252.10408	0.7
253.05070	0.6
260.02039	1.2
260.05692	1.0
261.00394	2.4
261.05499	0.6
263.07196	0.6
266.11880	0.3
268.06082	0.4
268.09970	0.5
269.06970	0.7
270.07654	0.4
270.11288	0.2
274.01208	1.6
276.10361	0.6
277.05133	0.4
278.03076	2.9
279.01282	0.3
279.06628	0.3
294.11465	3.9
295.06653	0.3
295.09427	1.4
296.09305	3.3
302.04147	0.5
306.07776	0.4
310.10880	0.7
320.09274	0.6
321.07584	0.3
322.07315	0.7
338.10385	33.8
339.10916	3.6
350.06573	0.5
354.09857	0.7
364.08267	1.1
365.06790	2.5
366.06821	0.3
382.09341	100.0
383.09698	13.1
383.13776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93879	2.1
68.02441	1.7
68.99832	16.5
69.04946	11.4
71.12557	1.4
79.01910	3.1
93.58165	1.6
101.03967	5.5
102.66943	1.8
106.02995	27.9
107.01415	3.6
107.92397	1.5
108.00953	2.2
109.02918	2.0
110.02486	16.4
117.03456	3.1
121.80122	1.8
127.05537	2.5
130.03001	5.2
131.01393	3.9
146.02461	3.5
148.04068	4.0
149.02455	1.9
150.01964	11.3
151.05566	15.6
152.05952	1.7
167.03525	3.8
171.04536	58.9
172.04916	3.5
174.02007	10.1
177.07092	4.9
178.01436	10.2
191.08711	2.6
193.06682	2.5
196.02467	3.0
200.03668	2.3
205.06744	1.8
207.08163	5.9
210.04071	14.0
221.06044	5.2
223.07639	4.0
233.06021	3.0
234.06845	2.4
235.07623	10.2
236.07300	3.8
249.05554	6.8
250.06319	2.1
250.08821	3.0
262.08679	3.9
263.07086	10.9
276.06622	6.7
277.05020	15.2
278.05457	3.2
278.08237	36.9
279.08820	2.7
280.09793	2.2
296.09305	2.8
302.04025	1.7
304.06219	3.4
305.04593	7.0
306.07718	22.5
307.08072	1.8
307.79144	1.8
321.07825	2.1
322.07227	100.0
323.07581	11.5
338.10309	5.0
350.06699	23.4
351.06940	3.0
354.09753	7.6
382.09372	34.8
383.09744	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	382.0936
Annotation	Torulosine
Peak:m/z	Relative Intensity
55.35681	1.2
61.18665	1.1
65.00339	2.5
68.99825	3.0
69.03696	5.4
69.04100	3.5
75.02447	1.1
82.02994	2.8
101.03961	1.8
101.97402	1.0
103.15616	1.2
106.03004	7.9
109.02982	2.3
110.02476	1.9
113.63559	1.1
119.05046	1.4
120.00931	1.7
124.04036	8.8
136.04042	2.8
143.04999	1.2
146.02473	2.1
148.04030	2.7
150.01964	2.4
151.05502	1.5
162.01952	4.3
162.06348	1.2
164.03543	18.6
167.03481	2.7
171.04526	10.7
174.49911	1.2
176.03537	3.3
178.01500	2.8
179.07388	3.0
190.01456	2.0
192.02959	5.8
204.06674	3.8
207.03093	1.5
207.08160	1.7
209.06041	1.2
210.04106	5.1
218.04538	8.2
222.05516	1.5
223.06374	3.3
225.05602	3.4
226.06645	1.9
226.08644	7.8
235.02472	2.6
240.10234	1.4
250.08711	2.3
254.05908	1.5
254.08321	4.5
255.06447	1.6
263.07266	2.1
268.09805	19.3
278.08240	4.0
296.09302	100.0
297.09543	9.4
306.07785	2.7
322.07312	9.9
338.10367	97.0
339.10846	8.2
350.06509	3.2
354.09625	1.5
382.09235	26.7
382.13580	2.9
383.09641	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	382.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20257	0.6
65.00346	2.2
68.99825	3.5
69.33367	1.3
69.33767	2.4
82.02991	2.6
83.01382	0.9
96.04597	1.3
101.04015	1.1
106.02995	8.2
107.01424	0.9
108.00909	0.8
109.02949	1.3
110.02511	2.6
117.03548	0.8
118.03056	0.9
120.00906	0.9
120.04572	1.7
122.02522	1.5
124.04049	9.3
131.01399	1.0
136.00447	0.9
136.04060	3.8
137.02464	0.7
146.02510	2.1
148.01700	0.6
148.04091	2.5
149.01221	2.2
150.01979	3.4
151.05553	2.2
162.01974	5.2
164.03558	16.8
167.03539	2.6
169.06554	1.2
171.04530	11.3
173.06192	1.2
174.02043	1.4
176.01187	1.5
177.01981	1.0
178.01428	3.5
179.07394	2.1
190.01575	1.5
192.03058	7.7
193.01530	1.2
196.02524	1.1
205.03717	1.3
208.11299	1.2
210.04033	7.1
210.09268	1.1
211.04321	0.8
213.25690	0.8
218.04546	7.2
222.05713	1.2
223.06339	3.9
225.05550	2.1
226.06509	1.2
226.08711	6.4
235.02533	3.1
235.07594	1.4
240.06693	1.7
240.10397	2.1
249.05522	1.2
251.07166	0.9
252.10458	0.9
253.05197	1.1
254.05853	2.5
254.08304	4.4
255.06456	0.9
262.08777	1.0
263.07220	1.7
267.05392	1.4
268.09824	20.8
269.10254	1.7
276.06500	0.8
277.05096	2.2
278.08221	5.3
280.06454	1.0
294.07755	1.0
296.09296	94.4
297.09616	10.1
302.03799	1.1
304.06155	0.8
304.38928	0.7
305.04428	1.0
306.07788	3.4
313.27298	0.9
322.07224	10.6
323.07617	1.2
338.10370	100.0
339.10770	11.4
340.11267	1.3
350.06656	3.7
354.10037	1.1
368.15341	0.7
382.09305	29.3
383.09628	3.1
394.01123	0.7
407.53113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57049	0.9
64.01897	1.6
65.00327	2.5
65.99857	14.0
68.99825	4.8
69.74979	3.9
81.03458	1.2
82.02990	4.7
88.01955	1.1
90.03496	1.4
96.12531	0.9
101.02444	3.7
101.04022	1.1
102.03478	2.3
106.02995	23.0
108.00929	5.2
109.02967	2.5
110.02467	4.9
118.02995	3.5
118.21371	0.9
121.66640	1.0
126.02000	1.5
130.03006	16.8
130.48344	0.9
130.72559	1.0
131.03723	1.3
132.00949	2.4
133.01773	1.8
134.02487	1.1
134.64883	1.2
136.00386	2.1
139.03976	1.4
143.05022	1.2
146.02478	13.6
147.03340	1.7
148.04047	2.0
149.02469	1.6
150.01981	17.8
151.00363	1.1
151.05486	2.5
163.02776	1.5
165.01973	1.8
167.03482	2.8
171.04530	18.8
174.01976	28.9
175.99893	18.0
178.01459	9.3
187.02753	6.2
189.00536	1.2
191.02222	1.3
192.02977	3.2
192.08244	1.0
193.01410	1.7
196.02509	1.5
200.03510	6.9
202.01372	2.0
208.07645	2.7
210.04080	11.3
218.00937	5.3
228.47217	1.1
234.04057	1.4
235.02467	4.5
235.07629	2.7
236.07191	12.3
237.07433	1.7
238.05058	2.7
246.00471	5.2
250.08765	6.2
252.06641	1.3
260.07202	1.4
261.00369	1.0
263.07205	2.1
267.40997	1.1
268.06223	1.3
277.05148	2.0
278.08249	100.0
279.08734	8.1
280.06183	20.2
281.06561	2.1
284.02841	1.0
301.03464	1.7
302.03946	6.8
306.07703	4.8
322.07220	47.1
322.99963	1.9
323.07629	6.0
337.45520	1.0
350.06708	76.6
351.06903	8.6
354.09952	1.2
382.01154	3.9
382.09320	45.5
383.09659	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	382.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	5.9
59.12701	4.8
86.87002	6.0
97.02969	7.8
98.21880	11.0
107.05062	7.4
110.00131	14.3
112.01188	8.1
117.03495	7.4
135.04556	11.7
148.01682	27.4
153.05612	36.7
165.99117	7.7
166.99614	8.9
176.03403	6.2
181.05078	89.8
202.01477	5.2
235.07639	5.4
244.69177	5.3
268.03781	7.4
269.04312	12.9
284.03192	10.3
285.03625	61.7
287.04059	20.9
295.09769	69.5
299.05640	5.7
300.05984	100.0
301.03482	18.0
302.03592	57.3
302.06570	22.7
308.09210	13.7
310.07150	6.5
338.10532	10.8
345.10751	5.8
350.06854	8.0
351.09909	10.2
382.01456	22.2
382.09512	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	382.1007
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
54.42221	1.3
56.98966	1.2
59.01373	3.7
61.98826	2.3
71.01384	9.7
77.04181	1.3
78.95906	2.4
107.03630	2.6
111.65959	1.5
115.00388	14.5
134.04739	100.0
135.05132	2.5
162.07846	7.1
206.06841	28.7
207.07390	1.3
250.05835	3.8
257.07748	1.4
266.08884	4.3
274.18350	1.5
370.47565	1.4
382.10028	20.7
382.14456	2.0
383.10641	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	382.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10166	0.8
59.01374	2.6
61.98824	1.2
71.01382	11.5
74.20856	0.9
84.60676	1.0
107.03646	3.4
109.04121	1.2
111.00936	1.2
115.00375	15.1
119.03640	1.0
134.04741	100.0
135.05164	2.0
160.01556	0.9
161.02495	1.2
162.07825	8.0
188.05797	1.3
192.99879	1.1
206.06842	32.2
207.07184	1.4
220.99553	1.4
249.62572	0.9
250.05756	3.4
266.08972	3.7
382.10126	29.2
383.10159	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	382.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00038	1.0
59.01389	16.8
66.38710	1.1
69.18491	1.2
71.01389	11.0
71.25041	1.3
73.02960	1.3
75.00882	17.5
80.60570	1.1
85.02965	4.1
87.00879	16.6
89.02460	3.5
101.02445	4.6
113.02467	3.9
115.05580	5.7
116.05040	2.8
119.03536	1.1
119.05035	3.3
130.06642	7.6
132.04578	27.1
135.04518	1.3
144.04596	1.5
146.06224	1.6
158.06131	100.0
159.06471	7.6
171.88712	1.4
174.05632	2.9
202.05118	43.6
203.05486	2.5
220.06183	8.0
237.06221	5.6
249.06178	12.0
382.11472	54.9
383.11752	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	382.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
58.22510	0.5
59.01388	2.2
61.99382	0.5
64.79447	0.6
69.03458	1.0
71.05024	17.6
71.42751	0.6
72.05375	3.4
73.02951	0.6
83.05038	4.2
84.05353	1.3
85.02964	2.6
97.06596	1.7
98.06932	0.8
109.06591	1.0
119.05040	5.7
121.06609	2.1
122.06976	2.1
124.01691	2.0
125.09736	35.0
126.10073	21.3
133.03009	0.8
135.04561	1.0
173.33133	0.7
187.04120	0.8
189.12856	1.2
190.13222	1.0
192.14699	0.7
194.21788	0.5
205.15926	0.6
205.19366	0.5
221.15424	0.7
222.15848	1.6
236.17453	0.6
242.88499	0.6
244.17870	2.0
246.19466	2.5
246.52010	0.6
247.19701	0.7
248.20012	1.0
256.17880	0.6
262.19070	0.7
272.86200	0.7
274.19043	2.0
274.76770	0.6
276.20404	1.0
292.20105	4.4
293.20477	1.8
294.20810	4.4
295.21063	0.5
301.03738	2.8
302.03891	12.3
303.04117	1.9
320.19415	1.0
327.76370	0.6
337.20428	0.8
338.20532	15.3
339.20709	0.9
364.18008	5.4
381.19159	1.0
381.99832	3.6
382.19464	100.0
382.99213	0.8
383.11417	5.2
383.19662	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	383.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95406	0.5
55.01882	1.2
57.03459	1.0
69.03466	1.4
69.26028	3.5
69.26326	1.0
69.96888	0.6
70.42023	0.5
71.01405	0.7
73.02903	0.7
73.32069	0.6
83.01379	1.1
85.02981	0.5
90.30118	0.6
95.01413	0.8
97.02969	1.8
99.00889	10.4
109.02977	0.9
111.00891	17.5
113.02470	1.3
115.90788	0.6
117.03493	1.2
123.00929	5.5
130.79506	0.5
131.99098	0.6
132.48486	0.6
133.03008	0.7
135.04529	3.0
139.00395	23.0
140.01074	0.9
141.01962	100.0
142.02275	3.3
153.01933	3.8
157.47421	0.5
159.04527	0.9
161.02480	10.2
166.99971	1.0
181.01457	0.9
193.01474	0.7
199.04184	0.6
217.05048	1.3
275.05765	0.9
285.04053	1.2
301.03473	0.9
303.05133	78.5
304.05530	6.8
383.00851	11.4
384.01181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0778
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
61.98832	1.5
68.08612	1.1
71.28037	0.9
94.59949	0.9
119.05009	2.3
121.02967	100.0
122.03303	4.2
126.27480	1.1
127.40650	0.9
147.04538	2.4
149.02473	1.6
181.06595	4.3
183.15936	1.0
191.03534	8.3
225.05632	8.0
251.07205	3.1
286.04663	1.8
295.03162	1.7
295.06143	11.7
311.09213	15.5
313.07193	17.9
314.07462	1.7
339.08826	13.4
340.09015	2.8
383.07675	21.1
383.11902	1.2
383.17899	1.2
384.08029	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0777
Annotation	Tetracenomycin F2
Peak:m/z	Relative Intensity
65.00334	3.3
68.99819	3.3
69.88194	2.3
69.88526	1.7
76.60635	1.1
79.01910	6.1
81.03455	3.6
84.32249	1.2
99.00896	4.7
107.01405	4.4
108.02175	1.3
109.02964	34.2
131.01328	1.3
135.00885	2.5
137.02463	1.8
148.01697	1.8
153.02122	1.5
161.41821	1.1
167.03510	100.0
168.03853	4.3
171.04604	2.5
179.08707	1.8
191.08728	1.9
193.06548	1.2
195.08150	1.9
206.07423	2.2
207.03052	3.0
207.08076	6.5
219.08197	1.4
221.06111	3.3
235.02536	6.0
235.07669	10.0
236.08125	1.9
239.07204	2.6
241.08791	1.7
253.04984	1.2
253.08688	3.2
263.07089	14.6
265.08591	1.8
267.10190	3.2
279.06726	2.8
295.09760	8.6
297.07727	2.3
307.06079	8.3
311.09137	1.4
321.07703	4.1
339.08731	75.6
340.09021	7.2
383.09488	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38554	2.3
65.00321	7.7
65.99858	5.2
68.99823	18.6
69.09647	17.7
81.03424	2.7
93.03453	3.8
98.22676	5.6
101.03954	4.3
105.03450	3.7
106.02962	7.5
107.03295	4.1
109.02925	13.3
119.05025	14.0
120.00933	2.9
120.05376	5.0
123.00867	3.2
131.05048	2.4
136.00410	2.7
149.02458	6.3
150.01930	2.7
151.05557	7.1
152.48753	2.6
167.03496	24.2
167.04810	4.0
169.28972	2.8
171.04521	59.2
172.04843	11.3
176.03459	2.9
178.01463	4.5
179.01820	3.7
204.06682	5.4
204.99606	4.6
205.06914	7.4
206.07260	3.4
207.08127	13.5
210.04016	4.1
211.04037	3.3
217.06604	3.6
219.01279	4.8
223.07632	4.2
234.00555	4.0
234.06764	4.2
235.00781	6.0
235.07658	25.6
236.02220	4.1
237.02312	5.8
237.09471	3.8
239.03479	2.5
251.07162	7.2
252.07445	2.8
257.04315	2.7
261.02823	2.5
261.99814	4.3
263.07071	9.5
269.06592	5.1
279.03497	6.0
279.06598	100.0
280.06857	9.9
283.08133	3.6
296.05600	4.7
297.07745	5.4
301.03513	7.2
303.03839	3.8
307.05884	22.3
307.72858	3.1
311.07770	7.9
323.07663	15.2
339.08832	28.5
340.08829	4.3
351.03281	5.3
351.07007	6.4
351.10779	6.3
352.08078	3.5
366.06039	2.5
382.99698	3.2
383.05945	18.2
383.10223	21.1
383.14005	4.0
384.06409	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1139
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
59.01361	1.0
65.00332	0.9
65.24088	0.7
67.01886	1.0
68.99826	1.1
71.01427	0.9
73.02945	0.9
73.15888	0.7
93.03471	5.5
95.01391	1.0
98.21887	1.5
107.05008	1.1
108.02144	0.9
111.00894	0.9
117.03478	14.2
119.05038	71.6
120.05363	2.5
121.02972	2.2
121.06608	1.0
123.04541	13.8
135.04559	1.2
137.02449	1.4
139.04042	1.3
143.05060	1.0
147.04555	1.1
147.08150	1.3
148.01648	1.0
149.06108	3.1
151.07787	1.1
153.05588	1.7
159.04501	1.5
161.02402	2.2
162.03238	0.9
163.07671	0.9
164.98300	1.4
165.99147	1.2
167.07178	4.3
169.06615	0.7
173.06073	2.0
175.04085	1.0
175.07674	3.3
177.05586	7.0
179.07214	1.6
187.04022	2.3
189.05617	1.8
191.03452	1.1
191.07201	4.4
201.05618	2.5
212.66292	0.7
217.04967	2.0
219.06688	7.7
219.49434	0.7
225.05588	1.0
229.05092	5.1
232.67799	0.8
235.06227	1.8
237.07692	2.6
238.05951	0.9
241.05115	1.2
245.04536	1.6
253.05104	0.8
255.06894	1.1
263.05615	1.3
263.09351	0.9
265.05020	0.8
267.03122	1.4
269.04581	18.5
270.04880	2.1
275.84152	0.8
281.08102	1.2
283.06058	1.4
283.09344	1.0
285.03949	2.1
285.10596	0.9
286.04770	1.8
293.08286	1.8
295.09814	2.3
296.30966	0.8
309.07877	4.9
311.09244	2.0
335.63382	0.8
337.10867	1.3
339.08759	10.3
339.21823	1.1
340.09161	1.3
355.11871	1.2
383.11383	100.0
384.11688	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	383.114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	16.9
69.06178	6.8
81.73721	0.8
82.00593	3.9
88.70464	0.9
92.99829	1.8
93.03459	3.9
95.01384	2.2
96.99313	3.7
98.22704	1.8
107.01367	1.5
108.99307	1.7
110.00108	41.5
110.00869	2.2
111.00911	1.3
117.03463	2.5
118.03849	1.0
119.05035	55.6
120.05373	2.9
120.99397	1.3
121.73055	0.9
123.00864	3.1
124.01680	5.6
135.00896	1.2
136.98816	14.9
137.99619	12.8
139.00389	8.7
145.02969	1.0
151.00331	5.1
152.01143	4.1
163.41423	0.8
164.01189	1.5
164.98302	31.8
165.99092	29.6
166.99878	12.0
178.99872	3.0
180.00662	11.3
185.06142	2.2
187.03966	1.9
193.01439	1.6
199.03970	1.7
206.05713	0.9
213.05583	0.9
225.45715	0.9
230.05809	2.4
245.01784	1.1
254.01784	0.9
255.03065	1.3
257.04370	3.1
258.05222	1.6
263.05594	4.5
284.02832	1.9
285.04095	28.2
286.04846	100.0
287.05219	9.9
355.12088	1.3
376.61819	1.2
383.11090	23.7
384.11374	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.114
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
51.48691	0.6
57.03417	0.8
57.73055	0.7
59.01382	3.2
65.00317	1.3
67.01892	0.8
68.99823	1.8
69.03437	0.9
70.35780	1.4
71.01382	0.9
82.00616	1.1
83.01407	0.8
92.99844	1.2
93.03471	1.7
95.01408	2.0
97.06596	2.7
107.04370	0.6
107.05067	1.9
108.02229	0.8
109.06619	1.1
110.00106	3.4
110.44150	0.6
111.00889	3.6
117.03495	3.3
119.05042	93.1
120.05369	5.3
121.06624	1.1
122.03749	0.9
123.04546	11.1
123.08186	1.5
124.04894	0.6
133.02983	1.0
135.04556	1.0
136.98805	1.9
137.06108	0.9
139.00429	2.2
139.04005	2.1
143.05040	6.7
145.03015	3.4
147.04533	0.7
147.08186	2.6
149.06152	3.2
151.04036	0.7
151.07668	2.4
153.01945	3.3
159.04620	0.9
161.02498	1.1
161.06126	2.2
163.04062	1.1
163.07646	1.8
164.98497	0.6
165.05594	1.0
165.99080	3.2
167.04982	0.6
167.07121	3.2
171.04633	0.8
173.06146	0.8
175.07637	3.8
177.05614	1.4
187.04015	8.1
188.04517	1.0
189.05577	1.9
191.07114	4.9
193.05090	1.6
193.08783	0.8
195.06618	0.8
200.04695	0.8
217.05008	1.3
219.06650	3.7
235.06175	1.0
237.07683	4.6
240.04327	2.9
241.05096	2.8
245.04597	1.2
268.03662	0.7
286.04819	4.1
339.08951	1.2
339.20740	1.6
365.10345	1.4
382.19678	1.1
383.11411	100.0
383.19687	2.7
384.11755	13.3
386.85153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.114
Annotation	Ophioglonol prenyl ether
Peak:m/z	Relative Intensity
63.96453	0.6
65.00321	2.1
69.98895	2.0
76.22176	0.6
83.01405	1.3
84.03559	0.6
93.03465	3.1
101.60849	0.7
107.01390	1.3
110.00112	4.2
110.00784	0.7
111.00842	0.7
117.03477	14.0
118.03873	0.6
119.05035	29.9
120.05362	1.3
121.06596	2.1
123.04536	3.5
124.01688	0.8
125.02458	3.5
125.76820	0.7
133.52792	0.6
134.03853	0.8
135.04497	0.8
136.01773	0.6
136.98817	1.7
139.00392	1.5
143.05006	0.9
151.00375	3.4
151.07700	0.7
161.02428	1.7
161.06044	0.7
162.03220	1.2
163.00375	1.1
164.98335	4.0
165.05569	1.0
165.99069	2.8
166.99854	2.9
167.03494	3.7
171.04559	0.8
177.05460	0.8
180.00665	1.3
182.63814	0.6
183.04651	0.8
187.04057	2.2
187.07693	1.1
189.05598	0.7
191.03561	1.3
191.07204	4.6
193.01483	0.7
193.05074	2.4
199.04118	0.9
200.04837	0.7
201.05606	0.7
209.07388	1.1
213.05481	1.2
219.06670	3.0
221.04520	2.0
231.10144	0.8
237.07751	0.8
239.03477	0.7
240.04308	1.1
241.04965	0.8
263.05515	1.2
267.02951	1.1
268.03635	0.8
284.03320	3.4
285.04062	39.5
286.04782	14.3
287.05203	1.8
298.04779	2.3
309.04132	2.0
310.04773	2.2
311.05554	3.4
311.09308	3.0
324.06375	2.2
339.08740	66.9
340.09067	8.5
341.11246	0.6
383.11380	100.0
384.11749	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	383.1198
Annotation	Acetyl-maltose
Peak:m/z	Relative Intensity
53.57252	0.8
57.03442	1.8
58.00571	0.8
59.01385	100.0
60.01712	1.2
61.98837	1.0
69.03476	1.3
69.93757	1.2
69.94094	1.7
71.01389	39.0
72.01717	0.8
72.99341	1.3
73.02957	9.1
76.53893	0.7
78.95921	4.6
83.01402	6.5
84.94328	1.0
85.02951	7.5
86.96705	0.8
87.00894	11.8
89.02454	43.1
90.02809	1.0
95.01392	1.9
99.00877	1.7
101.02450	24.2
101.03113	1.3
113.02459	19.7
117.01909	1.0
119.03515	17.9
119.46375	0.8
121.25845	0.9
125.02455	1.5
128.93361	1.4
130.08775	5.9
131.03522	2.4
131.08298	1.6
132.80089	0.8
134.04758	5.5
143.03546	4.6
149.04578	3.6
150.04231	2.0
161.04556	6.0
173.10519	1.2
179.05620	13.9
214.98837	0.9
243.06250	1.0
252.02914	1.2
282.08414	1.2
285.97357	1.0
286.55130	0.7
309.11929	1.0
323.09811	7.0
324.10101	1.3
341.10907	29.5
342.11340	2.2
347.28839	0.8
383.12003	6.7
384.05850	0.7
384.12048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.1
58.00609	0.7
59.01386	66.3
60.01713	0.7
68.99834	1.3
69.03459	0.8
70.58971	1.1
71.01392	20.2
73.02955	31.2
73.57062	0.6
74.03313	0.8
81.03484	1.0
83.01389	7.3
85.02961	5.1
87.00889	1.0
89.02452	9.1
93.03490	1.0
95.01408	1.5
97.02986	1.2
99.00896	2.0
99.04572	0.7
101.02457	22.6
102.85045	0.6
108.02178	2.0
109.02988	0.8
110.00111	1.6
111.00867	1.1
112.01672	0.8
113.02472	13.3
116.01469	0.6
117.03482	2.3
117.07068	0.7
119.03571	2.9
119.05045	100.0
120.05379	4.1
121.02995	1.0
122.03774	1.1
123.04543	18.1
123.08206	0.8
125.02427	1.4
131.03517	2.2
133.06601	1.2
135.04509	1.1
136.98657	0.7
137.55901	0.8
139.00354	0.6
139.04057	1.3
143.03537	1.6
143.05023	4.2
145.02937	1.4
146.03760	2.6
147.08167	2.2
149.01196	1.5
149.04567	1.8
149.06039	1.1
151.07674	3.8
153.01959	1.1
159.04524	0.8
160.00435	0.9
161.02435	0.9
161.04567	4.8
161.06081	15.0
162.01993	1.0
163.07698	5.2
164.98277	1.8
165.09213	1.2
165.99074	2.5
167.07207	4.0
175.07713	3.1
177.05490	1.0
177.09229	1.0
178.01410	0.7
179.05688	1.8
179.07147	22.2
180.07513	1.6
187.04022	2.8
191.07140	4.2
193.05074	1.3
193.08752	2.0
196.02531	10.8
203.07164	1.6
217.05034	1.0
219.06625	2.8
221.00818	0.8
221.08205	3.2
235.06062	1.0
236.02016	2.6
237.07701	4.2
263.05667	1.5
264.01514	1.0
265.05191	0.8
286.04852	1.3
308.05573	1.6
323.11380	4.3
324.05185	1.3
341.12244	2.9
352.04718	3.1
383.11307	36.7
384.07129	5.2
384.11661	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	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72733	0.6
53.62109	0.6
57.03457	1.1
58.00596	0.7
59.01384	68.0
59.26334	0.6
60.01727	0.7
65.00326	0.8
68.99849	0.9
69.57487	1.9
69.57862	1.4
71.01382	20.2
73.02952	34.5
74.03288	0.8
81.03454	1.0
83.01392	7.4
85.02958	5.1
87.00910	1.0
87.40229	0.7
89.02446	9.8
91.05501	0.6
93.03468	1.4
95.01394	2.7
97.02932	1.5
99.00863	1.3
101.02448	21.2
102.02856	0.6
108.02190	1.4
109.02984	0.9
110.00130	1.6
112.01683	0.9
113.02463	12.1
117.03461	2.5
119.03574	3.5
119.05035	100.0
120.05363	5.0
121.63393	0.7
123.04538	18.0
123.08125	1.4
124.04852	0.8
125.02472	1.8
131.03497	2.2
133.06561	1.5
135.04559	0.8
137.06148	1.0
139.00346	0.8
139.04019	1.3
143.03590	3.0
143.05013	4.4
145.02969	1.1
146.03700	3.1
147.08154	1.5
149.01257	0.7
149.02415	0.7
149.04561	1.9
149.06071	1.6
151.07639	4.1
155.03535	0.8
161.04576	5.3
161.06084	16.0
162.02025	1.0
162.03209	0.8
162.06412	0.7
163.04068	0.7
163.07709	4.1
164.98279	2.3
165.05595	1.1
165.09181	1.1
165.14445	0.7
165.99071	2.4
167.05000	0.8
167.07130	4.3
173.06145	1.0
175.07687	3.8
179.05614	2.0
179.07121	21.9
180.07526	1.5
187.03976	3.3
191.07170	3.3
193.08633	2.1
195.06487	0.7
196.02502	10.5
203.07130	0.8
207.83858	0.6
217.05023	1.1
219.06671	2.4
221.08292	3.1
235.06055	1.8
236.02011	3.3
237.07733	4.4
263.05576	2.3
264.01727	0.9
264.06219	0.7
269.04321	0.8
280.06143	0.7
282.07773	1.1
285.34628	0.8
286.04745	1.9
308.05655	2.4
323.11429	5.2
324.05145	1.1
341.12390	2.9
352.04526	1.9
383.11307	43.7
384.07132	4.6
384.11703	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	383.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05348	0.6
59.01376	1.5
61.91510	0.5
67.26851	0.6
74.27631	0.6
83.01427	0.5
83.99458	0.5
85.04680	0.5
89.81156	0.6
93.03483	1.2
96.15737	0.5
96.96014	1.0
105.03322	0.6
110.00111	2.4
117.03483	1.5
119.05052	8.9
123.04514	1.0
123.75287	0.6
133.02953	1.2
135.04524	1.1
136.98895	0.7
137.02501	1.2
139.00491	0.6
140.01189	0.6
142.12904	0.5
145.02951	0.6
145.83769	0.6
149.06090	1.0
161.02499	0.9
163.04036	2.8
164.04811	100.0
165.05107	5.6
165.99069	1.1
166.99908	0.6
179.07153	94.1
180.00700	0.9
180.07487	4.5
219.06551	0.6
237.07750	1.8
286.04810	4.3
293.04517	1.3
383.11349	10.9
383.17053	0.9
384.11545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03439	0.8
58.35136	0.7
58.99599	2.6
59.01382	8.0
69.88123	1.1
69.88474	1.8
71.01391	12.7
72.37949	0.6
73.02959	4.1
83.01397	1.4
85.02961	6.3
87.00883	40.6
87.02733	4.0
87.40710	0.6
88.01203	0.9
89.02457	2.2
95.01405	1.0
101.02448	7.8
113.02468	4.9
119.05023	6.7
123.04528	1.5
131.05359	1.9
133.06941	100.0
134.07274	3.6
143.03452	0.8
161.04549	8.3
184.22067	0.6
203.07466	5.6
249.06178	29.6
250.06558	1.4
330.50653	0.9
335.48361	0.8
371.98758	0.7
383.13901	40.1
384.14099	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	383.2078
Annotation	13,14-dihydro-15-oxo-20-carboxy-PGF2alpha
Peak:m/z	Relative Intensity
55.01863	0.6
55.19178	0.6
57.03440	2.9
59.01376	0.7
60.64420	0.6
63.49279	0.5
69.03464	1.5
69.76259	0.5
71.01386	1.6
71.05038	0.8
73.02952	5.3
83.05028	1.7
85.02955	4.9
87.04492	1.5
95.05013	1.0
97.06589	4.7
98.22726	0.9
99.04529	1.6
111.08160	0.8
119.05035	13.0
119.05830	1.2
120.05383	0.7
123.04536	3.3
123.08160	1.6
124.01654	1.9
125.06043	0.8
137.09718	1.0
162.12660	0.7
179.07153	1.7
179.14500	0.6
193.15982	2.9
195.17557	1.5
205.16016	0.8
219.17635	1.6
221.19246	0.7
228.81033	0.7
231.57860	0.6
249.18665	5.9
251.20190	6.3
252.20798	0.6
261.18680	1.4
265.21774	1.4
279.19659	1.8
293.17615	1.1
295.22775	1.4
321.20715	1.5
323.18674	4.4
337.20355	1.6
339.21768	60.0
340.18640	0.9
340.22214	7.3
365.19763	2.7
383.11368	4.1
383.20776	100.0
384.21146	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	384.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22884	1.1
59.01379	4.8
62.97208	1.0
65.00336	3.4
65.99860	1.5
68.99825	3.1
71.01383	1.8
71.41884	1.3
83.01385	1.5
87.98248	1.1
90.03518	2.5
92.01390	1.1
92.99829	2.6
93.03477	7.2
95.01392	3.7
99.92565	1.1
109.01662	1.1
116.01414	2.2
117.02650	1.5
117.03481	25.1
118.02982	2.2
119.01418	2.7
119.05042	60.1
120.05375	19.4
123.04594	6.2
124.04871	2.8
132.00941	2.0
133.01683	2.8
134.00044	1.1
134.02502	3.8
135.04546	2.9
137.02434	2.5
138.01981	2.6
143.05052	9.2
145.02959	6.0
148.00826	1.0
149.01213	12.5
149.02298	2.1
153.01950	8.3
160.00420	6.8
160.01517	1.2
161.01230	1.4
161.02434	5.1
162.01987	15.8
163.00371	5.0
163.99875	2.5
164.04814	2.8
164.98302	3.2
165.05615	2.2
166.01598	1.7
167.05016	6.6
172.21762	1.1
175.07558	1.1
177.00644	1.5
178.01433	4.4
187.04037	16.1
187.99838	1.1
189.05679	1.3
190.01521	1.3
191.07094	1.3
192.07512	1.9
192.90497	1.0
196.02527	100.0
197.02875	4.6
204.02933	1.5
206.00905	2.4
209.06078	1.6
220.02588	6.3
220.07520	3.3
221.00916	4.2
221.06096	4.8
222.00404	2.8
225.05608	1.6
232.02530	1.8
236.02026	24.7
236.06969	2.0
237.02354	1.9
237.05585	2.5
246.04044	3.8
247.02547	2.1
264.01483	12.9
264.05078	6.7
265.05167	3.3
269.04480	4.4
280.06183	3.3
281.04715	1.3
281.08240	2.6
282.07700	8.5
283.09988	1.4
285.04132	1.6
295.06183	2.2
308.05652	25.4
309.07693	1.4
323.05801	1.4
324.05133	12.8
325.05463	1.4
327.08975	1.1
341.06631	2.3
341.10379	2.4
352.04681	30.2
353.05017	4.9
353.10208	1.4
370.10596	35.5
384.07208	50.7
384.11813	17.8
385.07620	6.8
385.12866	19.8
386.59811	1.2
388.69528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0727
Annotation	Aristolochic acid IVa methyl ester
Peak:m/z	Relative Intensity
57.03468	1.8
59.01383	30.3
65.00341	1.7
66.04527	1.3
66.78072	1.1
67.74903	1.3
68.99802	1.8
69.13603	9.2
70.02924	1.5
71.01367	2.7
77.03970	2.2
81.03468	8.8
85.02927	1.5
87.00903	2.2
89.03997	3.6
90.03479	3.6
93.03472	5.2
95.05042	2.0
97.03005	1.6
98.22613	3.1
99.00907	1.3
100.03515	1.4
105.03463	31.8
106.03020	1.3
107.01351	1.7
109.02965	28.7
110.02490	4.7
117.03486	2.0
117.63873	1.4
119.05037	82.4
120.05361	3.0
121.02972	4.5
123.04582	3.4
124.04073	3.1
131.01437	3.0
133.02962	44.7
135.00876	2.7
135.04524	6.6
137.02444	4.0
143.05031	3.1
145.03004	2.2
147.00867	3.0
148.04039	4.4
149.02464	15.7
152.03548	25.5
161.02480	3.1
163.04025	2.0
175.00340	2.6
176.03554	15.6
177.01939	100.0
178.01227	8.6
180.03925	1.7
187.04044	7.9
189.05580	2.3
190.02707	5.3
192.03043	2.3
196.02534	17.6
202.99883	4.8
203.03511	2.4
205.05057	6.5
220.02516	70.2
221.00916	3.2
221.02818	5.9
237.45554	1.5
247.06140	2.4
252.17183	2.6
264.01511	53.1
265.01807	4.6
280.28461	1.6
284.05685	2.0
297.07709	2.8
324.22839	2.0
340.08276	15.8
356.07892	1.8
384.02441	3.2
384.07230	57.4
384.12045	3.4
385.07135	6.6
385.15186	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57938	0.9
59.01381	6.2
60.41374	1.0
61.40231	1.0
65.42477	1.1
69.03453	1.1
69.52296	3.4
71.01386	2.6
73.02952	1.5
82.79855	1.0
91.01907	1.3
91.77035	1.0
93.03464	12.5
95.01415	2.0
97.63805	1.0
98.21937	1.9
107.05088	1.7
108.02171	3.6
110.00123	1.5
116.02691	1.6
117.03481	55.8
118.03831	2.3
119.05040	100.0
120.02193	1.4
120.05378	53.2
121.03057	1.2
121.05690	1.9
121.06595	1.7
123.00885	1.4
123.04534	21.2
124.04862	9.9
131.01471	1.2
133.02986	5.3
135.04520	5.7
136.98790	1.5
137.02443	6.5
137.06097	3.1
139.00342	1.4
139.04007	1.5
143.04999	3.0
145.02962	3.0
147.00890	2.8
147.04587	1.2
147.08151	1.4
148.08543	1.9
149.02504	1.1
151.03978	2.9
151.07629	2.1
152.07813	1.2
159.00867	5.9
159.04480	1.7
160.01666	3.5
161.02478	16.4
162.01973	4.7
163.00435	1.2
163.04120	1.6
163.07654	1.0
164.04808	3.6
164.98300	2.1
165.05598	2.8
165.99039	3.2
167.07115	5.4
168.07512	4.4
168.62959	1.1
175.04024	7.3
175.07582	3.0
176.08061	1.9
177.01924	2.5
179.03503	3.1
179.07159	1.6
181.06754	1.1
186.03310	1.3
187.00432	5.9
187.03996	7.4
188.04739	1.1
189.01901	4.7
189.05656	1.2
190.01456	2.6
191.03513	1.2
191.07155	4.1
192.07536	2.4
193.05011	1.3
194.04561	8.5
196.02536	2.5
202.76204	1.2
203.03517	5.9
203.07143	1.3
204.02963	11.4
204.04337	1.0
205.03787	2.2
207.06709	1.3
209.06160	1.8
214.02826	1.6
214.99867	3.2
216.04056	1.3
217.05153	2.0
218.04723	1.6
219.02942	4.7
219.06552	1.8
220.06888	3.3
221.04471	1.4
222.04083	21.3
223.04192	2.3
225.05525	1.2
232.02484	15.3
233.03056	1.7
236.04666	2.4
237.05565	3.4
237.07716	2.9
238.08032	2.4
239.03485	1.6
240.04239	2.1
241.05075	2.1
244.76062	1.0
246.04097	41.6
247.02414	10.0
247.04372	1.5
249.02879	3.3
251.03510	2.2
253.05032	4.7
255.03232	1.2
264.05157	78.8
265.05362	7.1
265.08487	2.3
267.02710	1.2
267.06534	1.7
268.03699	5.9
269.04559	5.9
270.05130	1.6
278.04581	1.7
279.06418	1.1
280.06180	2.2
281.04587	5.2
281.08215	3.3
282.05176	2.3
283.06122	1.2
283.09839	3.3
295.06180	9.9
297.07590	1.4
308.05988	1.4
309.03998	2.7
309.07516	2.5
311.04370	9.3
312.04666	1.3
313.03613	1.8
323.05646	2.5
327.08783	1.9
338.06601	2.0
339.08716	1.7
341.10303	4.0
352.04672	12.8
353.05084	1.7
353.10263	3.7
367.11533	1.7
369.09741	1.6
370.10593	50.9
383.19962	2.5
384.07193	56.4
384.11746	48.7
384.19565	2.0
385.07803	6.3
385.12869	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	384.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35565	0.7
55.42850	0.7
65.99847	6.2
68.99825	1.0
71.42000	0.7
74.00349	1.7
75.79048	0.7
90.89361	0.7
96.00307	0.8
105.22927	0.7
109.03002	1.0
119.00159	3.8
119.05035	2.3
120.00932	1.0
121.02983	2.4
129.03473	2.2
140.05132	2.0
146.99637	2.0
152.05052	1.2
156.04396	1.0
164.05104	2.4
167.03490	1.1
168.04585	1.3
171.04497	1.1
174.99138	1.8
177.01945	1.6
180.04588	2.5
181.05269	1.0
184.03998	3.5
187.04170	0.7
192.04590	2.5
196.04074	1.9
205.01360	0.9
208.04051	12.0
209.04761	3.4
212.03606	2.5
221.71007	0.8
224.03477	0.8
234.33888	0.7
236.03543	12.7
237.04013	1.2
242.08353	1.6
249.97417	0.7
254.05807	2.3
270.07672	3.6
280.02536	70.2
281.02963	5.7
306.04037	2.0
340.08911	1.0
342.07825	7.9
343.07996	1.3
356.09631	1.0
384.08810	100.0
385.09067	14.9
409.71573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73348	2.3
65.03983	2.6
68.99825	15.2
69.38570	8.2
72.90491	2.0
75.00874	8.2
79.74098	2.2
81.03452	3.1
82.02983	3.9
89.04015	3.7
93.03476	6.5
94.02946	3.5
99.00935	4.3
100.84774	2.4
105.03452	15.0
108.43823	2.6
109.02983	8.2
110.00098	2.7
114.71884	2.3
117.03466	12.9
119.05036	4.3
120.99366	2.5
121.02925	4.2
123.04525	4.1
125.17348	2.5
127.00365	2.6
131.04985	3.6
132.02179	7.1
132.04503	2.8
133.02971	8.5
134.02568	3.8
134.03764	2.7
135.00903	3.2
136.04027	6.5
136.98811	5.3
137.02449	3.8
143.05128	2.4
145.06529	2.8
146.02489	3.2
147.00877	3.7
148.04111	13.3
149.02443	13.6
149.06053	5.9
152.03528	5.1
159.04527	10.5
160.04039	29.2
161.02477	15.2
161.04390	2.5
162.02022	5.3
162.03224	4.4
164.03496	11.9
164.98232	2.5
171.04536	46.3
172.04910	3.6
173.06102	8.9
174.03239	2.9
175.02658	5.8
175.04042	15.9
176.01106	2.9
176.03421	4.3
177.01936	38.9
179.08644	2.7
180.03012	3.6
181.05106	2.8
183.08125	3.4
190.02708	3.8
191.03477	5.3
192.06720	3.7
193.05002	3.7
199.04086	3.5
201.02042	3.1
202.01482	35.1
202.05116	21.2
203.03577	6.6
204.02965	2.8
205.01439	4.3
207.08255	3.9
209.09802	2.7
217.05191	3.2
218.04472	3.2
219.08199	7.1
220.02513	20.9
221.06322	3.1
221.09740	3.9
223.07693	6.3
225.05560	2.6
228.02995	2.9
232.03757	7.3
233.06166	2.7
235.06099	9.7
235.07809	7.5
236.05580	3.8
237.09392	11.6
239.07069	4.2
241.05051	3.4
243.03038	3.2
243.06744	3.5
246.04213	5.3
247.07669	9.4
248.02122	2.5
253.05057	3.9
253.08714	14.3
263.07175	24.6
264.07828	4.1
265.08691	37.3
266.08911	5.1
267.06635	17.0
268.07388	44.8
269.07901	5.8
269.41586	2.3
271.06235	3.4
276.76233	2.4
278.06775	9.3
281.08154	19.6
282.20288	2.4
291.06656	45.7
292.06848	3.0
295.09796	3.0
296.09213	12.8
297.11447	14.5
306.07718	15.7
308.09399	6.5
309.07724	77.4
310.07950	10.4
311.07913	4.4
323.09140	19.3
324.08813	28.4
325.09277	4.0
328.11920	3.7
334.07178	12.2
341.10336	55.5
342.10388	5.0
345.73267	2.6
348.08786	9.5
352.08356	17.4
356.11417	13.9
366.09991	8.2
379.21014	2.7
384.10962	100.0
385.11157	9.4
386.48782	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	384.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	1.8
59.76284	1.5
65.00324	6.7
65.03970	5.4
67.01908	2.2
68.99819	23.9
69.49327	7.7
75.00877	5.3
75.33595	1.8
77.03988	3.1
81.03461	6.5
82.02988	7.2
83.01416	2.3
89.03986	3.1
91.01897	1.9
92.99786	2.7
93.03475	13.3
94.02998	2.6
95.01349	1.5
95.05055	1.7
97.03040	1.8
98.02525	1.7
99.00875	11.6
99.12815	2.0
101.03960	4.8
105.03481	12.8
109.02976	13.2
110.00142	2.1
115.05542	4.0
117.03464	18.9
118.02975	3.1
119.01389	2.7
119.05049	3.3
120.04563	7.5
120.99352	4.8
121.02986	4.8
123.04562	4.8
124.04060	5.8
125.06082	16.4
127.00376	5.6
127.05550	4.1
131.05026	4.8
132.02193	7.0
133.03017	5.5
135.00896	4.9
135.04544	5.0
136.04094	2.7
136.98799	8.6
137.02440	3.3
143.05052	4.2
145.03014	2.1
145.06648	3.6
147.00945	2.7
147.04575	5.5
148.04060	31.4
149.02470	8.4
149.04341	1.8
149.06136	12.1
151.04031	3.7
152.03487	2.3
153.01884	2.3
157.06627	3.1
159.00909	2.4
159.04549	23.3
160.04015	21.7
161.02452	9.0
162.01939	3.8
163.00320	1.7
164.03471	3.7
164.98256	1.5
166.05067	1.6
167.03519	2.2
169.06764	2.3
171.04536	99.0
172.04848	8.7
173.06105	7.3
174.01881	1.9
175.00320	2.0
175.02736	2.1
175.03961	9.0
176.01096	2.2
176.03529	5.8
177.01930	15.6
179.08659	2.2
183.08215	2.8
184.05267	2.3
189.05614	4.0
191.03497	4.0
191.07179	7.9
192.06606	8.3
193.05083	2.4
193.06689	2.1
195.08159	2.5
197.04518	2.6
199.04025	11.8
202.01503	21.2
202.05141	28.1
203.01817	2.2
203.03589	3.8
203.05475	2.4
203.07198	4.6
204.03110	3.6
205.01416	3.2
209.09723	4.9
211.07654	3.8
218.04605	2.9
219.03012	2.8
219.08214	4.9
220.02539	36.1
221.02960	2.1
221.09737	4.1
223.07706	5.8
225.05612	5.8
225.09238	3.1
228.03029	4.6
232.03847	4.2
233.06146	2.5
234.04135	3.1
235.07700	7.1
236.05653	4.0
237.09291	5.7
238.06285	2.6
239.07289	3.5
241.05098	9.8
242.05632	2.1
243.06570	2.5
246.03918	2.4
247.07744	3.7
248.02031	4.7
249.05635	2.9
251.07083	2.8
253.08670	15.2
257.08154	1.8
259.06207	2.8
262.08862	2.5
263.07239	16.1
264.07581	2.3
265.08731	19.2
266.08554	3.9
267.06683	7.5
268.07401	13.1
269.04575	5.4
271.06009	2.3
278.06448	2.7
279.06583	4.9
280.04669	4.0
281.08215	12.2
282.07928	5.2
290.08243	2.7
291.06644	15.8
295.09836	7.2
296.09283	21.0
297.11353	33.7
298.11667	4.5
301.07184	4.8
302.07578	2.1
306.07663	10.9
307.05859	2.7
308.09512	8.8
309.07578	17.3
311.08075	3.1
323.09204	13.6
324.08789	64.3
325.09195	5.8
328.11887	8.2
334.07095	8.1
341.10358	13.3
342.10403	2.8
348.08722	8.3
352.08185	13.6
353.08783	2.2
356.11450	35.5
357.11661	4.1
366.09900	7.7
384.10938	100.0
385.11389	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63708	1.7
68.99839	2.8
69.26085	5.0
69.26466	3.7
77.24566	1.8
81.03448	3.0
84.19727	1.6
89.03963	2.6
93.03471	2.0
105.03458	10.6
108.41558	1.8
109.02976	2.5
117.03510	4.0
118.02990	3.5
121.02979	6.4
123.04582	2.0
125.06055	2.2
133.02983	7.7
136.04085	2.9
146.02513	2.1
147.00856	2.5
147.04471	3.2
148.04083	1.7
149.02458	15.3
149.06122	2.8
159.04541	3.9
161.02486	4.8
162.03265	5.6
163.04024	2.1
164.01236	2.2
164.03529	12.3
171.04533	8.5
173.06030	3.3
174.01955	7.8
175.02686	5.0
175.04045	12.9
176.01187	3.4
176.04701	3.8
177.01952	55.2
178.02335	2.1
188.31854	1.8
190.02760	6.8
191.03511	7.2
195.08192	5.6
201.02194	1.9
202.01489	36.1
203.01828	2.3
203.03558	6.4
204.03261	1.9
205.01442	10.4
207.01756	2.7
207.08179	2.1
209.09790	1.8
217.05037	2.2
219.08163	9.9
220.02542	3.0
221.04538	3.8
221.09731	6.0
222.06802	2.2
223.07591	3.4
224.08136	2.2
231.03084	2.4
235.05780	9.7
235.08020	3.8
237.09207	12.4
238.07169	2.5
239.07268	3.8
246.04095	1.9
247.07680	5.7
251.07126	6.3
253.08740	15.9
254.09340	2.1
260.05530	1.9
263.07230	26.4
264.07629	4.5
265.05978	1.3
265.08698	39.4
266.08984	2.8
267.06619	25.0
268.07404	67.5
269.07770	6.4
278.06644	8.6
279.06863	2.2
281.08261	16.9
291.06650	58.1
292.06995	9.1
294.05338	3.3
296.09430	2.7
297.11295	5.9
306.07767	14.6
307.06250	2.3
309.07721	100.0
310.07980	13.6
311.07907	9.2
323.09293	14.0
324.09030	7.3
325.09421	2.2
335.05496	2.6
341.10318	85.3
342.10733	9.0
352.08206	5.9
356.11380	2.3
367.08340	4.4
384.06900	1.9
384.11029	27.3
385.10941	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	384.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24419	1.2
58.78301	1.2
59.01384	34.8
59.62769	1.0
60.48526	1.1
65.00324	3.9
65.24129	1.0
66.66473	1.1
69.61965	2.3
81.03461	1.4
82.00610	2.9
82.02987	13.3
84.32566	1.0
90.03447	1.1
93.03471	1.7
94.02998	1.7
95.01391	2.9
98.22649	1.3
105.03487	1.3
109.02981	2.1
110.00113	21.0
111.00916	1.6
118.03007	1.2
119.05026	5.1
123.00890	2.2
123.04527	1.2
124.01661	5.2
124.04077	1.5
126.01989	1.8
132.04567	1.4
134.02486	2.4
136.04048	3.6
136.98816	2.3
137.99602	6.4
139.00391	4.2
143.05127	1.5
148.04068	1.7
150.05666	1.6
151.04025	2.9
152.01141	4.1
152.03522	3.1
155.03529	1.1
157.06598	2.0
158.02518	1.6
160.04112	5.8
161.02455	2.1
162.01973	4.3
165.99092	19.7
166.99852	3.1
171.04611	1.2
173.06093	6.9
176.03564	4.5
177.01956	4.5
178.01546	1.7
180.03041	2.8
181.06613	1.2
185.06067	2.4
189.61458	1.0
192.03067	2.0
192.06688	2.8
193.01468	1.1
194.04572	4.1
196.02654	1.5
199.07547	1.3
202.01465	2.3
202.05066	1.6
204.03017	6.9
213.05653	2.1
214.06322	1.9
215.07129	1.3
225.05479	6.4
227.07132	2.4
229.05107	1.6
230.00996	3.1
238.03699	1.1
243.06589	19.1
244.07030	1.3
253.05113	3.9
262.08511	1.5
266.08261	2.0
269.04593	4.7
270.05322	16.4
271.06125	36.5
278.03156	2.3
280.09735	1.1
294.05469	1.1
308.09521	6.5
309.07739	2.6
310.07239	1.3
334.07245	3.4
340.08344	2.6
340.12021	3.2
342.09995	3.1
352.08136	7.2
353.06873	3.7
360.29205	1.2
384.10986	100.0
385.11322	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	384.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24419	1.2
58.78301	1.2
59.01384	34.8
59.62769	1.0
60.48526	1.1
65.00324	3.9
65.24129	1.0
66.66473	1.1
69.61965	2.3
81.03461	1.4
82.00610	2.9
82.02987	13.3
84.32566	1.0
90.03447	1.1
93.03471	1.7
94.02998	1.7
95.01391	2.9
98.22649	1.3
105.03487	1.3
109.02981	2.1
110.00113	21.0
111.00916	1.6
118.03007	1.2
119.05026	5.1
123.00890	2.2
123.04527	1.2
124.01661	5.2
124.04077	1.5
126.01989	1.8
132.04567	1.4
134.02486	2.4
136.04048	3.6
136.98816	2.3
137.99602	6.4
139.00391	4.2
143.05127	1.5
148.04068	1.7
150.05666	1.6
151.04025	2.9
152.01141	4.1
152.03522	3.1
155.03529	1.1
157.06598	2.0
158.02518	1.6
160.04112	5.8
161.02455	2.1
162.01973	4.3
165.99092	19.7
166.99852	3.1
171.04611	1.2
173.06093	6.9
176.03564	4.5
177.01956	4.5
178.01546	1.7
180.03041	2.8
181.06613	1.2
185.06067	2.4
189.61458	1.0
192.03067	2.0
192.06688	2.8
193.01468	1.1
194.04572	4.1
196.02654	1.5
199.07547	1.3
202.01465	2.3
202.05066	1.6
204.03017	6.9
213.05653	2.1
214.06322	1.9
215.07129	1.3
225.05479	6.4
227.07132	2.4
229.05107	1.6
230.00996	3.1
238.03699	1.1
243.06589	19.1
244.07030	1.3
253.05113	3.9
262.08511	1.5
266.08261	2.0
269.04593	4.7
270.05322	16.4
271.06125	36.5
278.03156	2.3
280.09735	1.1
294.05469	1.1
308.09521	6.5
309.07739	2.6
310.07239	1.3
334.07245	3.4
340.08344	2.6
340.12021	3.2
342.09995	3.1
352.08136	7.2
353.06873	3.7
360.29205	1.2
384.10986	100.0
385.11322	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	384.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13692	0.7
52.94927	0.7
55.24302	0.7
56.28777	0.8
63.02378	1.0
68.99850	0.8
69.71163	1.7
69.71554	1.6
77.33442	0.7
79.01890	1.1
88.21716	0.7
89.03983	2.2
103.48460	0.7
105.03474	9.8
107.05038	0.8
118.04253	0.8
121.02962	5.1
123.04509	1.3
131.01385	1.1
133.03021	5.5
133.03838	1.1
134.03757	1.3
135.00867	1.1
136.22951	0.8
137.02402	1.3
146.03777	1.8
147.00861	1.7
147.04503	2.3
148.01619	1.6
149.02452	14.5
150.02820	1.2
159.00888	0.7
159.04572	1.0
161.02454	1.8
162.03247	4.7
164.01160	1.9
171.04637	1.0
173.06056	3.2
174.03229	0.9
174.70735	0.8
175.00372	2.2
175.52632	0.8
176.01077	1.7
177.01945	47.2
178.02376	3.1
179.08562	0.9
190.02725	5.7
191.03505	5.1
193.06616	1.2
195.08174	4.4
202.99854	2.5
205.01465	6.6
206.07382	1.1
207.08162	2.3
209.06165	0.9
209.09671	2.2
211.07574	2.0
212.08345	1.0
218.02168	1.8
219.08159	6.4
221.09734	3.2
222.06952	2.0
223.07639	3.3
225.09106	0.8
231.02925	1.9
235.07686	5.5
236.08356	1.4
237.09232	8.5
238.06316	1.0
238.09613	1.3
239.07141	5.0
247.07700	5.1
249.05557	1.9
250.06261	2.0
251.07140	3.9
253.08730	12.7
254.09218	2.3
263.07263	18.0
264.07635	3.4
265.05801	1.6
265.08722	34.0
266.06116	1.4
266.08969	3.8
267.06665	21.1
268.07413	60.6
269.07794	6.5
279.06790	1.7
279.10294	1.3
280.04062	0.9
281.08221	18.2
282.08527	2.5
291.06668	47.7
292.06915	5.2
294.05325	3.0
297.11334	3.2
307.06033	2.8
309.07718	100.0
310.08014	12.4
311.08014	9.3
323.09323	10.6
335.05600	3.4
341.10315	90.7
342.10687	11.5
352.08191	7.1
367.08090	2.8
384.10925	23.2
385.10965	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1246
Annotation	UNII-07I55PCC4G
Peak:m/z	Relative Intensity
50.00335	0.3
60.89212	0.2
61.98853	0.2
63.01143	0.9
64.01914	0.6
65.00328	3.0
65.99854	4.1
66.03488	0.2
68.99828	1.5
69.33148	1.1
70.05684	0.2
71.31418	0.2
81.02217	0.2
83.01408	0.4
90.03485	0.6
91.00630	0.5
92.99821	0.7
95.00146	0.4
95.01385	0.3
96.00914	0.9
99.74757	0.2
101.04014	0.3
105.02202	0.6
106.02943	0.3
107.00140	2.0
108.00903	0.9
109.01713	1.7
110.00106	0.5
111.00956	0.2
115.05524	1.3
116.05070	0.5
117.03484	0.5
118.03014	0.6
119.05027	0.7
120.00932	3.7
121.01739	1.6
123.00880	0.3
132.00903	0.3
133.01723	2.3
133.02803	0.3
134.02502	7.6
134.99619	0.8
135.02884	0.2
136.00433	1.2
136.98819	0.3
137.01187	0.6
137.99568	0.2
139.05551	0.5
140.05132	0.3
141.07121	0.7
142.06638	5.3
143.05028	0.8
143.06955	0.4
145.01689	0.9
145.02809	0.3
145.06612	0.4
146.02498	0.8
150.01962	0.6
154.06602	0.2
155.05043	0.4
157.06589	0.3
158.02426	0.2
161.01213	3.1
162.01967	1.6
162.99136	0.3
163.99913	0.7
165.00690	7.1
165.02051	0.5
165.07133	0.3
166.06638	7.7
166.08069	0.4
167.04950	0.3
167.06989	0.5
168.08229	1.7
169.06635	1.2
169.78731	0.2
170.06096	2.7
171.04558	3.0
173.06099	0.8
175.99901	1.7
176.03442	0.2
177.01941	0.4
178.01421	0.6
178.06764	0.2
180.08215	0.4
181.06642	0.4
182.06071	0.6
184.05280	0.9
184.07715	2.9
185.06059	0.9
189.00685	9.4
190.01175	0.7
190.06651	0.7
192.08212	1.4
194.06146	1.3
196.05438	0.3
196.07690	0.3
197.06120	0.3
202.01450	1.9
205.09000	0.6
207.06932	0.5
208.07692	4.8
209.06116	0.5
210.05524	3.2
211.04025	0.6
211.05989	0.4
212.05107	0.4
212.07181	10.9
213.05620	0.3
213.07521	0.9
215.02316	0.8
218.06186	0.4
220.07648	0.6
222.05608	1.0
223.06389	1.2
224.07181	1.1
225.05627	1.1
225.07536	0.2
234.05701	0.3
235.06145	0.3
236.07170	5.7
237.05492	0.2
237.07736	0.8
238.05077	1.0
239.05853	0.6
240.06554	0.5
241.07552	0.4
249.07933	0.3
250.05254	0.3
251.06007	0.9
252.06631	5.9
253.04893	0.5
253.07129	0.5
254.05766	0.8
255.06673	0.4
256.11365	0.4
264.06680	0.8
265.07458	1.8
266.04391	1.1
267.05234	1.3
268.06125	1.8
269.06952	6.5
270.07544	0.7
270.13126	0.3
274.12363	0.7
278.04584	0.5
280.06174	9.6
281.06488	0.9
292.06232	0.4
293.06964	5.7
294.07297	0.9
298.12390	0.6
300.10223	0.3
306.07745	0.9
314.11926	0.9
338.12222	0.3
340.08438	0.2
340.13278	0.4
342.11401	1.2
356.12939	2.4
357.11163	0.4
366.11429	1.2
384.12436	100.0
385.12769	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	384.1455
Annotation	6-hydroxy-allocryptopine
Peak:m/z	Relative Intensity
61.64708	0.6
65.99841	2.0
69.55126	3.1
72.63918	0.7
85.04980	0.6
92.31380	0.6
96.00893	1.2
96.99288	0.7
98.22588	1.6
107.44204	0.8
109.01674	1.3
110.02453	2.6
119.05036	1.5
120.00909	1.7
121.01677	2.3
121.02993	5.3
123.03252	3.5
134.02533	3.5
135.03304	4.8
136.00375	1.9
137.01190	0.9
138.01956	1.6
151.02785	4.9
155.02237	1.0
165.00665	8.5
166.01399	1.1
173.06123	0.8
177.01930	1.1
192.03020	2.7
198.09206	0.7
199.07658	1.0
200.07283	1.0
202.26782	0.6
220.02516	0.9
226.08748	1.9
228.06584	1.4
238.03583	0.8
239.21933	0.8
242.08250	42.0
243.08565	3.0
252.06798	1.0
268.06256	1.8
269.06888	4.4
270.07724	100.0
271.08096	9.2
286.44495	0.7
313.07239	1.7
340.15515	3.5
384.14563	47.7
385.09705	1.2
385.14798	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	384.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71940	0.4
57.03478	0.5
58.02977	1.0
59.01385	100.0
60.01722	1.1
60.99300	0.4
65.00330	0.4
68.99825	0.4
69.03471	0.8
69.20988	0.4
69.34510	1.1
69.34912	1.7
70.03004	0.5
71.01392	1.6
71.05028	0.6
72.99303	0.8
73.02951	0.9
79.95744	0.5
80.96530	0.8
81.03458	0.8
83.01395	0.5
83.50174	0.5
85.02990	1.2
87.00906	1.0
91.05579	0.4
93.03497	1.5
94.06634	0.7
95.05074	0.6
96.04546	0.6
96.96059	0.7
97.02994	1.2
98.21881	0.8
99.00901	0.5
101.02482	0.5
105.03504	1.1
107.05042	0.7
108.02210	0.4
109.02977	2.4
111.04555	0.6
112.00421	4.5
113.02464	1.3
117.03510	0.6
119.05042	5.5
121.02942	0.8
123.04567	0.7
124.04021	0.6
125.02454	3.5
128.07161	0.6
131.50172	0.4
133.03024	1.9
135.04559	1.5
139.00401	0.4
139.31328	0.4
141.01942	0.8
142.01245	0.5
145.03015	0.7
145.06593	0.6
147.04626	0.6
149.02509	1.4
151.04077	1.7
152.03543	0.7
161.02524	1.7
163.07689	0.7
164.04851	0.9
171.04515	1.0
175.00253	0.5
175.04074	0.6
176.03587	0.9
177.01949	3.5
181.05157	0.5
187.04076	1.1
189.05548	2.5
190.02754	1.3
205.05161	1.3
209.09840	0.5
211.07742	0.6
217.05138	0.5
219.06754	0.7
220.02541	3.7
223.06058	0.5
229.05106	0.8
247.06142	2.3
252.17175	2.8
253.08670	0.7
255.06732	1.0
264.01382	0.9
297.13354	0.7
324.23120	1.4
384.07120	2.5
384.13254	1.7
384.17682	0.6
385.06616	1.0
385.11487	1.6
385.15402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	1.6
59.01382	100.0
60.01712	0.7
65.32023	0.6
70.18978	0.6
71.00329	0.8
71.00681	0.5
71.01396	0.7
71.50818	0.5
87.00877	0.8
96.35370	0.6
107.18224	0.6
108.02216	0.8
109.02985	1.2
113.02396	0.8
119.05009	1.9
123.04556	1.0
129.52499	0.6
133.03003	1.0
135.04530	1.1
140.03590	1.0
149.02516	0.7
161.02460	1.3
162.68590	0.5
164.04836	0.7
165.01979	1.6
171.04543	1.1
175.00441	0.6
177.01999	1.1
179.11957	0.6
181.05168	0.9
189.05571	1.5
190.02759	1.1
201.05704	0.6
205.05103	2.1
217.05092	0.8
221.08163	0.6
222.07722	0.9
223.06241	0.7
234.16173	0.6
247.06189	2.2
252.17238	3.0
253.05035	0.7
264.01306	0.6
324.23120	1.3
384.07242	1.3
385.07080	0.8
385.11087	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03460	13.6
59.01391	12.5
61.98831	3.0
71.01391	3.3
71.42341	1.2
71.53455	1.2
72.99296	1.3
76.08732	1.3
78.14331	1.3
78.95924	2.2
83.01395	2.4
84.02192	3.5
85.02962	100.0
86.03298	3.6
93.81022	1.2
101.87259	1.4
103.00350	3.6
111.00903	2.9
114.05637	1.7
115.00362	1.2
116.07174	2.4
129.01952	7.8
130.08760	3.2
134.03760	3.5
147.03000	12.3
191.01999	25.2
192.02287	1.9
193.05090	2.2
209.03056	11.3
299.24631	1.6
385.25748	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	385.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72522	0.9
59.01361	2.5
65.00330	4.5
67.01892	1.0
68.99825	5.4
69.47215	4.0
75.02393	0.8
77.03963	0.9
80.96544	0.9
81.03470	1.8
82.00619	2.0
83.01392	2.3
88.20151	0.8
93.03465	4.4
95.01392	4.0
96.95989	1.0
99.00860	2.4
99.36871	0.9
101.02438	0.8
105.03458	2.5
107.01407	1.6
107.30513	0.9
108.02175	4.0
109.02968	7.9
110.00107	11.2
111.00895	8.6
113.88702	1.0
115.04073	1.5
115.05562	1.0
117.03474	10.0
121.03004	1.5
123.00890	4.4
123.04527	1.8
124.01665	12.9
131.05049	2.0
133.02997	8.2
134.03770	1.6
135.00906	1.6
135.04509	2.2
136.01648	4.2
136.98824	4.3
137.02461	4.6
137.99597	3.4
139.00362	9.5
145.06615	1.0
147.04565	1.9
148.01639	1.0
149.02417	3.0
149.06010	1.3
152.01157	12.5
153.01862	1.1
157.06589	3.4
159.04515	1.9
161.02446	9.4
163.04030	0.8
165.05551	1.0
165.99091	8.5
166.99883	7.3
171.04549	2.3
171.08163	2.3
173.06096	7.4
175.03987	2.6
176.01242	1.2
177.02002	4.8
178.02661	2.4
179.03496	1.2
180.00630	1.5
181.06609	0.9
183.08174	1.1
185.06088	2.6
187.00385	1.1
190.54567	1.0
191.03548	1.3
193.01495	1.2
193.05061	7.5
195.08182	1.5
197.06067	2.1
199.07648	2.4
201.05595	3.0
203.03537	2.2
205.01436	4.0
209.06183	1.2
209.09721	1.6
211.07648	2.9
219.03061	1.2
221.09779	1.7
223.07669	3.9
225.05519	8.4
227.07127	6.7
229.05014	1.9
237.09239	3.6
239.07170	3.1
241.05054	1.0
241.08759	2.3
243.06633	43.1
244.07010	2.9
247.07700	2.1
249.00478	1.6
253.05099	9.3
253.08597	1.5
263.07062	1.3
265.08722	10.3
267.06720	2.2
270.05276	5.6
271.06140	97.8
272.06512	8.3
281.08221	3.6
291.06656	1.8
297.11328	2.3
309.07678	8.0
310.07993	1.1
323.09207	1.7
335.05817	1.2
341.10303	2.0
343.08389	2.1
353.06583	2.6
385.09308	100.0
386.09634	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	385.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34875	1.6
50.97973	1.3
65.00330	7.8
65.66760	1.4
68.99822	5.4
72.99711	1.3
79.01852	1.4
81.03458	2.6
82.00606	1.9
83.01389	3.2
89.03998	1.4
93.03470	4.7
95.01404	4.4
98.22633	5.1
99.00896	2.8
105.03467	2.1
107.01334	1.8
108.02193	3.3
109.02979	9.4
110.00101	13.5
111.00888	9.2
117.03480	11.0
123.00861	5.5
123.04474	1.5
124.01674	11.3
131.05049	1.9
133.02972	9.6
135.00882	2.8
136.01651	5.8
136.98808	5.6
137.02454	4.5
137.99579	5.0
139.00388	11.1
141.01955	1.5
149.02405	2.7
150.03299	1.6
151.03967	2.4
152.01180	9.6
157.06609	1.9
157.36168	1.4
161.02452	6.7
163.00429	3.6
165.99062	9.0
166.99831	6.8
169.06578	1.4
171.04517	3.0
173.06062	7.9
174.03287	2.3
175.03973	2.2
177.01930	5.4
178.02628	3.1
181.06624	1.5
183.08148	1.9
185.06076	4.6
189.99139	2.8
193.05054	5.1
197.06073	3.3
199.07626	2.0
201.05629	2.8
202.99744	2.5
203.03549	2.3
205.01408	6.0
209.06076	2.1
209.09766	1.8
211.07642	2.0
221.09645	2.4
223.07681	6.0
225.05582	7.9
227.07176	6.1
229.05106	3.3
237.09232	4.1
239.07114	3.4
241.08774	1.9
243.06618	49.1
244.06880	2.6
247.07713	1.6
253.05121	9.5
253.08609	1.9
265.08737	9.2
266.09097	2.0
267.06714	2.1
270.05206	7.8
271.06128	96.3
272.06476	8.4
279.06454	1.7
281.08163	6.0
297.11282	2.1
309.07718	11.0
343.08139	4.3
353.06610	6.3
367.07837	2.2
385.09302	100.0
386.09628	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	385.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33599	0.9
59.01372	1.3
64.84467	1.1
65.00329	5.7
68.99847	6.1
71.39917	1.2
77.03965	1.0
81.03466	1.1
83.01390	2.4
84.98361	1.0
89.03979	1.5
93.03475	3.1
95.01389	5.8
99.00883	2.3
103.05488	1.0
105.03481	2.5
108.02118	2.2
109.02972	6.9
110.00105	9.7
111.00912	7.2
111.01554	0.8
113.74952	0.9
114.12660	1.0
115.04009	1.2
117.03481	8.4
119.01424	1.3
121.02945	1.1
123.00867	2.9
123.04585	1.1
124.01696	12.9
131.05060	2.0
133.02982	7.3
135.00856	1.5
135.04533	1.7
136.01691	3.9
136.98827	4.1
137.02463	4.6
137.99576	3.2
139.00380	11.3
147.04561	2.0
149.02455	1.8
152.01193	9.7
155.05139	1.0
157.06616	3.0
159.03043	1.3
159.04582	2.2
161.02466	8.3
163.00349	1.7
165.99135	7.1
166.99863	8.4
171.04527	2.0
171.08144	2.3
173.06131	7.1
174.03307	1.5
175.04053	1.9
177.01971	3.8
178.02705	2.9
179.03479	2.0
180.88408	1.3
181.06560	2.0
182.84598	0.9
183.08119	1.8
185.06050	2.6
191.03490	2.2
193.05109	6.1
195.08192	2.4
197.02768	1.0
197.06099	2.5
199.07751	2.4
201.05576	2.4
203.03572	2.0
205.01450	2.8
209.09727	1.1
211.07683	2.2
219.03043	2.0
223.07605	3.2
225.05634	6.7
227.07170	6.6
229.05118	2.0
237.09151	2.0
239.07271	2.7
241.08716	2.5
243.06639	38.2
244.07034	2.5
247.07753	1.5
249.00418	2.2
253.05080	10.5
253.08958	1.5
259.89587	1.0
263.07260	1.3
265.08728	8.4
267.06516	1.6
270.05273	4.9
271.06143	87.1
272.06424	8.1
281.08279	3.6
282.08823	1.3
291.06723	1.5
308.38348	1.3
309.07742	7.0
323.09073	1.4
341.10379	2.1
343.08319	2.0
353.06851	2.3
379.03088	1.2
385.09317	100.0
386.09619	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	385.1141
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01384	44.0
61.98819	3.9
69.36462	16.9
71.01401	15.7
72.99300	3.1
74.02495	5.9
78.95889	4.1
85.02967	14.9
86.15274	3.6
89.02483	9.1
101.02466	5.8
113.02478	10.3
114.05634	4.5
117.03481	6.0
119.01416	3.8
119.03464	4.2
121.02979	7.0
135.04622	7.1
144.04646	3.2
145.03038	3.1
147.00923	6.1
147.04515	3.5
149.02472	38.7
163.04012	13.1
164.04800	41.8
174.01669	4.5
175.00389	26.4
177.02019	3.6
177.05553	5.1
179.07178	20.3
190.02740	66.9
191.01938	3.6
191.03517	15.9
198.35707	3.5
203.03386	4.1
205.05067	70.6
206.05821	19.8
207.03108	4.9
217.01497	13.5
219.06619	4.7
221.08189	27.0
223.06105	40.4
232.03764	26.2
237.07748	9.0
247.06125	100.0
248.06456	6.9
265.07181	26.5
292.07693	3.6
362.15268	3.6
385.11526	11.5
385.25089	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	385.1144
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03442	3.0
57.30136	1.9
59.01384	100.0
60.01731	2.1
60.02021	2.1
68.99859	2.4
69.15896	14.6
71.01398	21.3
72.99299	4.5
73.02964	7.0
79.95724	2.5
80.93945	1.9
83.01401	2.4
83.05050	3.0
85.02965	8.9
87.00909	4.2
89.02451	9.2
91.01913	2.2
93.03474	5.7
95.01413	2.6
97.02985	3.1
98.02499	2.6
99.00877	2.8
99.04505	3.3
101.02454	7.0
101.06099	2.5
107.05048	4.4
109.02956	3.9
111.04498	3.0
113.02499	10.1
119.01400	2.9
119.05058	12.2
121.02972	4.8
127.19555	2.4
128.59485	2.1
134.95226	2.8
135.04549	7.5
137.02446	4.0
145.02977	3.2
147.00932	4.4
149.02457	30.5
150.05571	2.8
151.03963	2.5
159.04515	2.4
161.02501	5.6
162.03175	2.8
163.04028	6.2
164.04816	30.2
164.98351	2.4
171.04622	2.4
173.02147	2.8
175.00368	29.4
177.01935	2.7
177.05634	3.9
179.07181	14.2
187.03903	2.5
189.01961	6.4
189.05585	7.3
190.02739	72.6
191.03477	10.9
192.06677	9.7
204.04359	2.8
205.05092	67.7
205.58685	2.1
206.05800	19.5
217.01424	16.6
219.06613	6.9
221.08232	18.4
223.06049	25.1
229.04948	4.4
232.03833	23.5
236.05585	5.1
237.07643	4.2
247.06142	85.0
248.06477	4.8
250.04916	2.9
252.17441	4.0
253.08759	2.2
265.07144	18.6
305.06046	2.0
305.22281	2.4
385.06934	3.0
385.11218	7.7
385.15076	6.0
386.08850	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
57.03459	11.4
58.63013	1.7
59.01384	69.6
62.11441	1.6
68.21612	1.7
69.68902	5.5
71.01021	2.7
71.01385	27.1
73.02953	4.1
78.95905	7.3
81.03487	2.5
83.01398	4.4
85.02960	8.0
89.02453	19.6
93.03490	3.2
95.01396	2.7
99.00877	2.4
99.04539	2.9
101.02433	12.7
106.96311	1.7
107.05034	1.9
108.02197	4.1
113.02466	10.8
116.07204	2.5
116.92860	3.2
117.03491	2.9
119.01386	4.0
119.03513	5.8
119.05021	14.3
120.05366	5.1
121.02982	8.5
122.03775	2.8
123.04575	8.8
125.02425	2.6
130.08684	2.6
133.02934	2.1
135.04552	13.6
147.00859	3.2
147.04517	2.8
149.01253	3.9
149.02460	65.3
150.02843	3.0
152.01167	4.4
162.03223	3.0
163.04034	13.2
164.04803	72.2
165.05249	5.3
167.03484	4.0
175.00369	24.1
177.05563	5.2
178.06369	3.9
179.03482	2.7
179.07144	22.2
179.89178	3.0
180.07722	1.7
181.05040	3.9
181.08688	19.5
190.02734	73.4
191.03461	18.1
193.01466	4.0
193.05193	1.9
196.89548	2.7
203.07036	2.6
205.05067	72.1
206.05830	31.7
207.03008	4.9
207.06496	2.8
208.03790	16.2
209.04443	3.5
221.06271	3.0
221.08234	31.8
223.06122	100.0
224.06436	9.2
225.11325	6.1
232.03787	3.4
235.02548	2.7
237.07709	6.3
241.07143	5.7
247.06058	13.4
250.04810	13.7
251.05608	3.3
265.07181	85.5
266.07465	7.3
270.43716	1.9
295.04883	2.5
295.08267	43.6
296.08762	4.4
325.09296	93.2
326.09848	8.3
346.57657	1.7
385.11334	3.9
385.20575	2.7
385.24905	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	385.1143
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
59.01384	16.4
70.25276	1.3
70.25650	0.7
71.01392	6.9
73.02952	1.8
75.67494	0.6
78.31338	0.6
85.02959	1.1
89.02438	5.0
91.01907	1.2
93.03440	0.7
100.58386	0.6
101.02454	2.4
109.80436	0.6
113.02460	2.1
119.01379	4.8
119.03506	1.1
121.02972	2.3
133.02946	1.9
135.04520	1.6
140.65474	0.6
147.00861	3.7
149.02440	10.6
151.00381	1.6
161.02478	7.2
163.04012	1.5
164.04803	10.8
165.01990	1.5
166.02727	2.2
175.00383	31.3
176.00768	1.5
179.07101	3.3
181.05138	3.6
189.01939	1.2
190.02727	76.4
191.03084	4.1
193.01419	2.8
205.05066	100.0
206.05388	6.9
208.03717	4.6
221.08159	2.8
223.06125	25.3
224.06468	1.4
232.03728	1.0
247.06108	6.7
248.06441	0.8
265.07135	3.4
295.08337	0.9
325.09442	1.6
362.15384	0.7
382.24609	0.6
385.11374	7.8
386.11649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08144	3.9
59.01390	10.5
61.98841	8.5
62.53517	5.1
63.78654	3.9
72.67302	3.9
96.44225	4.0
108.00176	4.1
117.03482	4.7
125.14238	4.1
135.04543	3.9
135.08171	5.9
163.02115	4.1
163.07664	17.9
179.07199	4.9
195.10306	9.3
222.97093	4.8
223.09785	100.0
224.10016	5.4
237.67169	4.3
265.10889	10.6
311.22113	6.4
385.12738	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	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01300	4.9
63.52011	0.6
65.00278	0.8
67.01832	0.7
69.03380	1.2
71.01321	1.3
81.03401	0.7
82.95333	29.4
82.95875	2.0
83.01302	2.2
86.64716	0.7
93.03462	10.7
94.67344	0.6
95.01334	1.6
95.40164	0.6
101.02432	0.6
106.04169	0.7
107.01293	2.3
107.04988	1.4
109.02869	1.2
109.06528	1.2
111.04478	1.3
117.03475	44.6
118.03759	1.6
119.04931	2.4
121.06532	1.2
132.05779	1.1
133.02914	1.5
135.00723	0.9
135.04581	3.3
135.08067	1.9
137.05946	0.7
137.09650	1.5
151.04024	3.4
151.04977	0.7
156.05789	0.9
157.06465	2.8
157.07610	0.8
158.03676	0.9
159.04553	6.4
159.08069	1.2
161.02351	1.9
161.04507	0.8
163.03893	1.1
163.07661	16.7
164.07869	1.5
165.05513	1.1
169.06487	1.2
171.04378	2.1
172.05214	2.4
173.06013	2.0
177.01883	1.2
177.09177	3.6
179.07074	2.6
185.05975	2.2
185.09666	1.4
187.07690	5.0
189.05440	0.8
191.07082	2.7
200.04683	2.4
201.03847	0.9
201.05580	13.2
202.05905	1.0
205.08598	3.0
207.06561	2.4
209.06042	1.1
211.07565	0.7
215.07158	1.1
223.07794	0.7
226.02492	1.4
227.03403	1.1
227.06998	1.4
228.04164	0.8
229.08675	7.1
231.06554	2.9
233.08252	0.7
239.10678	0.9
249.07695	1.4
251.07059	2.2
253.04956	1.6
253.12300	2.9
254.12851	0.7
255.02980	2.0
255.06546	1.4
256.03699	1.3
281.08173	3.5
281.11798	11.3
282.09128	0.6
282.12186	1.6
297.11325	2.1
301.03537	5.0
307.09854	3.3
309.08051	0.8
325.10837	42.0
326.11118	5.4
353.10327	100.0
354.10681	12.5
367.08224	2.8
385.08286	1.5
385.13000	23.9
386.13251	2.4
390.31573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
62.45418	0.5
65.00320	0.9
69.03453	1.7
80.41045	0.5
83.01391	1.0
83.05032	1.2
85.02952	1.1
85.52177	0.6
87.00884	5.8
92.26657	0.5
93.03468	8.7
95.01411	2.0
95.04988	1.1
96.96023	0.8
97.06580	1.0
97.80556	0.6
99.92612	0.7
107.01395	0.7
107.05043	2.2
109.03027	0.6
109.06593	1.2
110.03703	0.8
111.04522	2.2
117.03477	33.2
117.76193	0.6
118.03802	1.5
119.05035	1.6
121.06599	0.7
125.06096	1.8
132.05833	1.3
135.04572	2.3
135.08192	1.7
137.06123	0.9
145.02965	0.8
151.03981	1.0
156.05742	0.8
157.06606	2.1
159.04517	3.9
159.08209	1.2
161.02454	1.7
161.06139	0.7
162.03241	0.7
163.07661	17.5
163.78516	0.5
165.05586	1.2
169.06531	0.8
172.05327	0.9
177.05702	0.8
177.09245	3.0
179.07138	1.2
183.04500	0.7
185.02435	0.6
185.06120	1.5
185.09764	2.1
187.07655	3.9
189.05542	1.0
191.07133	1.7
200.04866	1.2
201.05603	3.8
203.07167	1.2
205.08679	3.3
207.06506	0.8
211.07642	0.8
213.05563	0.8
215.07256	0.9
226.02615	0.6
227.03519	1.2
227.07150	1.8
229.08760	6.8
230.09164	0.6
231.06561	1.7
233.08220	0.9
237.05453	0.8
251.07161	2.6
253.04962	0.9
253.12250	3.7
255.03001	3.8
255.06599	1.7
256.03741	3.7
265.08835	0.9
279.10260	1.0
281.08270	3.1
281.11874	9.6
283.02563	0.8
284.03253	4.6
285.03754	0.8
297.11362	1.9
303.14764	0.7
307.09799	1.6
325.06973	1.0
325.10831	20.3
326.11172	2.8
338.95911	1.6
353.10321	100.0
354.10617	11.7
366.95572	1.5
367.96375	0.9
384.96582	6.1
385.12799	1.9
385.18698	3.3
385.96976	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52154	0.8
55.13743	0.7
59.01376	1.5
65.00330	1.4
65.03931	0.7
69.03461	1.2
69.89297	1.3
69.89656	1.2
70.61177	0.6
83.01395	0.7
93.03459	13.2
95.01376	1.9
98.22601	0.7
107.01374	2.6
107.05048	1.2
109.02979	0.8
109.06504	0.7
109.59112	0.7
111.04485	1.7
117.03474	49.8
118.03790	1.7
119.05024	2.5
121.06555	0.8
123.04588	0.9
132.05811	3.0
133.06648	0.9
135.00867	1.1
135.04544	4.1
135.08185	3.1
136.98785	0.7
137.06079	1.6
139.03952	1.0
143.05016	1.8
145.02965	1.3
147.04510	0.8
151.04030	1.2
156.05815	1.4
157.06622	3.4
158.03696	0.8
159.04527	7.0
159.08124	1.6
161.02446	2.8
161.06070	1.2
162.03220	1.4
163.07663	15.0
164.08011	1.5
165.05577	1.1
169.06575	0.9
171.04555	1.8
172.05299	3.0
173.06064	1.4
177.09230	4.5
179.07162	2.2
183.04465	1.8
185.02553	1.0
185.06088	2.1
185.09680	1.6
187.03973	1.1
187.07687	4.9
189.05511	1.1
191.07137	6.5
192.07593	0.7
199.03999	0.9
200.04820	4.6
201.05577	15.9
202.05920	1.3
205.05083	0.8
205.08694	3.8
205.83148	0.9
209.06062	1.2
213.05634	0.8
215.07103	2.3
225.05516	0.7
227.03525	1.8
227.07138	1.3
228.04327	0.9
229.08707	6.0
231.06580	2.9
233.08148	4.1
237.05524	0.9
237.09184	1.1
251.07201	1.4
253.04970	1.0
253.12332	2.9
255.02963	6.6
255.06714	1.2
255.10323	0.7
256.03824	5.1
259.06229	0.8
263.11044	1.1
265.08633	0.7
279.10294	1.1
281.08246	3.4
281.11877	10.0
282.12033	1.1
297.11292	2.0
307.09796	4.7
325.10837	41.5
326.11218	5.3
335.09256	1.0
353.10303	100.0
354.10654	13.3
384.96497	1.6
385.12936	41.0
386.13239	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1296
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
56.48180	0.8
59.01384	8.5
69.03460	2.0
70.05672	2.2
71.01389	3.6
89.02452	5.8
93.03476	8.7
95.01416	3.4
101.02447	2.7
106.87274	0.9
107.05038	1.6
109.06599	0.9
111.04560	1.8
113.02425	1.5
117.03484	35.8
118.03855	1.1
119.03547	1.6
119.04985	0.9
119.32963	0.7
121.06570	1.0
133.02940	0.9
135.04575	1.3
135.08234	1.5
137.02496	0.8
137.06081	1.0
146.18593	0.8
157.06584	1.5
159.04530	2.7
159.08173	1.4
161.02452	2.3
161.13409	1.0
163.07678	15.8
165.05632	0.9
167.01929	0.9
169.06570	1.0
177.09244	3.7
179.07137	1.5
185.06143	2.1
185.09761	1.9
187.07640	3.1
191.07170	1.5
194.03619	0.8
200.04839	1.1
201.05652	3.9
201.07306	0.8
203.07132	0.9
205.08687	3.1
205.12328	2.8
211.07759	1.3
215.07158	0.9
227.07178	1.7
229.08772	7.0
231.06610	2.1
251.07268	2.1
253.12430	2.7
255.02863	1.3
255.06659	2.0
255.10147	1.1
281.08160	2.8
281.11786	7.7
282.12292	1.3
297.11411	3.1
307.09775	1.1
325.10861	24.5
326.11224	2.5
349.16006	1.0
353.10327	100.0
354.10638	11.3
385.12863	1.6
393.76770	0.9
402.26117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02909	0.7
59.01361	2.7
60.34569	0.9
61.59493	0.8
65.03963	0.9
68.65710	0.7
68.99812	1.0
69.28195	3.5
71.01378	1.9
85.49162	0.8
93.03475	11.7
95.01379	1.5
101.02403	1.0
108.02181	3.7
109.02978	2.0
111.00916	1.2
117.03481	69.2
118.03815	3.6
119.05042	9.7
120.05386	2.5
123.04523	3.3
133.02980	2.8
134.03757	1.4
135.04518	5.0
136.05315	2.5
137.02441	5.3
137.06068	2.7
139.04102	0.9
143.04997	0.9
145.03011	1.4
151.04031	1.7
153.05588	1.9
159.04514	2.0
160.05309	1.4
161.02475	12.4
161.06068	1.0
163.04086	0.9
163.07698	1.5
164.04817	6.8
165.05591	4.5
165.09323	0.8
167.07141	1.6
171.04489	0.9
173.06038	1.3
175.04047	2.4
177.02061	1.3
177.05528	1.3
178.06201	1.2
179.03485	1.1
179.07161	3.3
180.07712	0.8
186.03203	2.5
187.04036	13.4
188.04652	1.7
189.05527	2.3
191.06978	1.7
200.04820	1.2
201.05548	1.7
202.02786	0.8
203.03551	1.7
204.04185	1.3
205.05098	1.0
205.08844	1.1
207.06602	1.2
208.07410	2.2
213.01958	1.5
213.05583	1.5
214.02695	3.9
215.03517	2.2
215.07217	0.9
216.04330	1.2
217.05016	1.2
221.08257	2.2
223.09761	2.3
224.04742	1.0
225.05539	3.0
229.04967	1.1
231.06535	1.1
232.03752	2.4
237.05605	1.9
239.07190	1.0
239.10681	1.0
241.05049	4.1
244.03763	1.7
246.04192	1.1
247.06232	2.2
249.07681	0.9
252.04286	1.0
253.05074	4.7
253.08813	1.1
254.09068	0.9
255.02934	1.1
255.10281	1.3
257.08331	1.5
265.05399	2.2
265.08658	2.5
267.06717	1.8
268.03879	1.4
269.04596	13.0
269.07635	1.4
270.05225	1.3
271.06064	1.4
271.09717	1.0
281.04617	2.4
281.08295	5.9
282.05365	2.5
282.08734	1.4
283.06601	1.4
283.09738	5.6
285.07669	2.7
291.08984	1.2
295.06229	2.1
295.09622	1.4
296.06482	1.5
297.07687	1.7
297.10922	0.9
299.05765	1.0
299.09320	1.6
309.07666	6.4
309.11142	1.7
310.08279	1.6
324.09851	1.3
325.10727	1.5
326.08020	2.2
327.08673	2.7
339.08652	3.2
341.10269	6.5
342.10849	1.5
352.09537	2.7
353.06363	1.1
353.10297	7.6
354.10669	0.9
367.11975	1.5
370.10602	100.0
371.10962	12.7
385.08395	3.3
385.12900	55.1
386.08902	1.3
386.13391	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	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37476	0.7
59.01392	1.0
63.52744	0.6
65.00317	0.7
68.99827	0.8
69.03461	1.3
70.18787	1.2
78.28590	0.6
83.01411	1.7
83.39549	0.6
83.43671	0.6
93.03459	11.3
95.01382	0.9
117.03484	28.6
118.03755	1.1
119.05036	1.3
121.03003	0.7
121.06610	2.7
130.04277	0.7
130.68594	0.7
132.05855	1.7
133.06583	0.7
135.00835	0.7
135.04541	3.5
135.08203	3.7
137.06099	2.1
139.04027	1.4
143.05034	0.9
145.02975	0.9
145.06584	1.0
147.04558	1.4
147.08127	1.0
149.06104	0.8
151.04002	0.9
156.05801	1.2
157.06470	0.6
159.04546	3.0
159.08168	1.5
161.02495	2.0
161.06168	1.0
163.04099	0.9
163.07681	8.1
165.05515	0.7
171.04523	1.0
172.05281	1.2
173.06052	0.8
175.03859	0.7
177.09204	4.7
179.07117	1.1
183.04558	1.1
185.02437	0.8
185.06042	3.0
187.07686	3.3
189.05525	1.4
191.07170	10.5
200.04857	3.3
201.05608	2.8
205.08696	2.7
211.04028	0.9
211.07837	0.9
213.01985	1.1
213.05846	0.7
215.07188	4.3
216.07597	0.7
217.05132	1.3
227.03600	2.0
228.04298	1.8
229.08572	1.6
231.06653	2.4
233.08176	6.4
237.05591	1.8
242.05708	0.7
249.05511	0.7
251.07140	1.0
253.05112	2.5
253.12422	0.8
255.03023	3.8
255.06976	0.7
255.10252	0.9
256.03696	2.0
259.06320	1.6
265.04977	0.8
265.08716	1.4
281.11905	2.3
283.06137	2.1
292.07382	1.2
297.11319	1.7
307.09656	4.9
309.11334	1.5
325.10858	7.0
326.11316	0.8
335.09094	1.0
353.10333	52.2
354.10669	5.8
369.81543	0.8
385.12958	100.0
386.13336	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	385.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41341	1.7
54.56060	1.6
68.99806	2.0
69.17667	8.2
90.12620	1.6
93.03472	18.4
93.07087	2.0
109.02966	2.0
117.02650	4.1
117.03481	68.5
118.03813	3.4
119.05016	6.3
121.06569	1.9
135.00888	3.0
135.04564	11.4
135.08173	4.7
136.01659	3.2
143.05045	4.1
145.06581	2.3
158.03761	2.0
159.04533	13.9
161.02460	6.0
161.06133	2.5
161.09778	2.2
163.07712	9.8
165.05588	3.8
171.04590	2.8
172.05334	5.2
178.00002	2.0
183.04503	4.0
185.02478	2.2
185.06203	2.3
187.03931	3.4
187.07710	3.1
191.07156	20.8
196.08946	2.0
200.04910	9.8
201.05551	11.6
205.08701	4.6
211.11334	3.5
227.03532	7.5
228.04169	2.9
229.05029	5.3
231.06775	2.8
233.08302	6.0
239.10628	2.1
245.48915	1.9
253.05125	2.9
255.02946	11.9
255.10312	37.8
256.03580	2.3
256.10587	3.6
281.11761	4.6
297.11246	10.6
307.09564	2.3
325.10855	17.8
353.10345	100.0
354.10745	15.0
371.11377	1.8
385.12936	25.2
386.13275	2.8
403.69614	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	385.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73927	0.5
57.23349	0.5
59.01377	1.5
63.52365	0.5
65.00322	2.6
68.99829	1.2
70.00535	1.7
74.98989	0.5
80.37554	0.5
83.01387	0.8
93.03455	7.5
93.77251	0.5
97.06577	0.6
109.02950	0.8
110.00099	0.6
117.03474	53.9
118.03809	2.6
119.05038	10.2
119.08631	0.6
121.02957	0.7
121.06573	0.9
122.07466	0.6
125.02454	1.2
125.37476	0.5
130.04427	0.7
132.05815	1.0
134.03703	0.5
135.00880	3.0
135.04529	2.4
135.08162	3.3
136.98796	1.8
137.06084	1.4
138.74873	0.6
139.02245	1.4
139.03960	0.7
145.02972	1.1
147.04550	0.6
149.06056	1.1
156.05951	0.5
157.06593	0.9
159.04555	4.0
159.08189	1.1
161.02428	2.8
161.09805	0.8
163.07654	4.3
164.98309	4.5
165.05606	0.9
171.04472	0.6
177.09227	8.0
178.09555	0.7
178.23450	0.5
179.07147	1.2
183.04524	3.3
185.02443	2.3
185.06100	1.7
187.04033	1.3
187.07668	2.9
191.07155	4.6
193.17157	0.6
200.04842	2.5
201.05536	3.5
203.07109	1.0
205.08710	15.9
206.08986	1.0
207.06619	2.0
209.06023	0.9
211.11298	0.9
215.07127	1.1
220.04045	0.6
223.09836	1.0
224.41045	0.5
227.03510	2.9
228.04169	1.2
231.06601	0.8
233.08141	2.7
237.05556	1.6
253.05042	3.2
253.12318	1.1
255.02997	10.9
255.10216	3.6
256.03714	1.3
256.10516	0.7
259.06100	1.0
265.07321	1.3
267.19653	7.1
270.01682	0.6
275.16440	1.1
279.10257	1.2
281.04568	1.2
281.08923	1.0
281.11661	3.1
282.04773	0.7
285.03983	1.2
287.05734	3.6
288.05698	0.7
293.17609	4.9
297.11319	16.3
298.11597	1.6
307.09756	4.1
311.18610	1.1
325.10822	29.8
326.11194	4.2
353.10306	21.7
354.10605	3.0
357.13284	0.7
367.12201	1.0
385.12933	100.0
385.22366	3.2
386.13275	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	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.2
65.00317	1.2
69.03489	0.9
69.18771	2.4
69.19179	2.9
91.03993	1.1
93.03465	12.7
95.44514	0.9
97.06617	0.9
98.95583	0.8
107.43465	0.8
112.00629	0.8
117.03478	100.0
118.03827	4.5
119.05024	5.6
120.05364	1.4
121.02976	1.7
121.06570	0.8
122.03725	1.3
133.03012	1.6
133.06616	1.2
134.74796	0.8
135.04591	4.8
135.08185	3.5
137.02480	0.9
137.06071	1.4
143.04932	1.1
145.02998	1.5
147.04573	1.1
147.82156	0.8
151.07672	1.3
151.16362	0.8
158.03743	1.7
159.04517	6.1
159.08142	4.5
161.02419	4.4
161.09737	1.9
162.03175	0.9
163.00381	0.9
163.07632	2.2
165.05565	1.1
167.14392	2.3
171.04530	1.7
172.05357	1.6
173.78629	0.8
176.01172	0.9
177.09250	7.4
179.07124	1.6
183.04538	1.0
185.02542	1.1
187.04034	2.4
187.07671	3.3
200.04753	1.8
201.05573	5.0
203.07202	3.4
205.08690	7.3
206.09120	1.1
207.08258	1.0
207.17438	1.1
209.06119	2.6
211.11255	1.9
212.04800	1.0
223.20758	1.4
227.03618	1.8
227.10820	1.3
233.08273	1.1
237.05588	3.9
237.12871	1.6
238.06366	3.3
239.10646	1.2
249.18707	3.4
250.06334	1.7
253.05096	10.9
253.12276	6.5
254.05592	1.3
255.02983	3.5
255.10291	3.5
258.13260	0.9
264.04242	1.6
267.19659	65.2
268.20004	6.1
275.16571	8.7
279.10266	17.6
280.10580	1.6
281.11826	12.6
282.05386	3.5
282.12265	2.0
286.04736	1.3
287.05002	1.8
288.05438	3.1
293.17612	45.2
294.17874	4.0
297.11340	50.9
298.11661	6.7
307.09775	24.0
308.10248	2.6
309.10959	1.0
311.18689	9.4
313.14432	1.2
315.12390	1.2
325.10837	43.7
326.11188	4.2
353.10275	16.4
354.10812	2.0
367.21295	3.9
385.12994	51.6
385.22244	29.4
386.13300	7.0
386.22739	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	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
63.08501	0.9
69.24105	4.8
71.01380	1.5
83.01414	1.0
84.02139	1.1
93.03466	13.3
101.02467	0.9
108.02161	2.4
109.02953	1.7
109.15201	1.0
117.03483	67.6
118.03793	3.8
119.05043	11.1
120.05361	4.0
121.02979	1.6
121.05708	1.3
123.04523	2.4
133.02974	4.1
135.04544	7.2
136.05328	2.5
136.98824	1.3
137.02463	7.7
137.06091	3.6
139.04063	1.3
143.05051	1.3
145.02945	2.1
147.04594	1.3
151.04039	2.8
153.05524	2.0
159.04498	1.5
161.02452	13.6
163.04042	1.6
163.07639	1.7
164.04852	7.2
164.60934	1.0
165.05629	5.2
167.07155	1.1
173.02423	1.1
173.05948	1.4
175.03961	1.5
175.07637	1.5
177.02026	1.7
177.05626	1.3
179.07124	3.7
185.06033	1.3
186.03249	2.3
187.04036	14.0
188.04637	3.6
189.05682	1.3
191.07217	2.5
197.06148	1.2
199.03964	1.5
200.04808	2.3
201.05545	1.8
202.67505	1.0
203.07123	2.1
204.04208	1.4
207.06596	2.0
208.07494	4.7
211.04018	1.5
213.01929	1.4
214.02736	4.6
215.03508	1.9
215.07257	1.3
216.04176	1.2
217.05006	2.0
221.08197	1.8
223.09758	1.3
225.05621	4.2
227.06923	1.1
231.06525	1.3
232.03932	1.3
233.08211	2.1
237.05544	1.7
237.09181	1.1
239.10777	1.3
241.05063	3.2
242.05920	1.1
244.03821	1.8
247.06140	3.7
253.05064	3.9
254.09647	1.3
255.02766	1.1
255.10292	1.3
264.05054	1.5
265.05402	3.6
265.08530	2.5
266.05801	1.2
267.06528	2.0
269.04623	10.9
269.07745	1.7
270.09335	1.7
271.06134	1.2
271.09747	2.0
281.04822	2.3
281.08188	7.2
282.05368	2.2
283.09717	5.7
285.07755	2.7
291.08954	1.2
295.06079	1.8
297.07639	1.2
299.09302	3.1
309.07635	6.8
309.11029	2.5
323.05753	2.0
323.09201	2.7
324.10107	1.8
325.10855	2.2
326.08002	2.6
327.08795	3.9
335.09268	2.0
339.08701	1.7
341.10385	5.0
342.11044	2.0
352.09622	3.5
353.04044	1.0
353.10281	8.3
354.10629	1.1
370.10593	100.0
371.10950	12.4
385.08521	3.0
385.12924	57.2
386.13492	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	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06348	1.0
59.01389	8.7
61.98839	16.5
65.00315	1.1
69.03464	15.2
70.27557	2.3
80.63902	1.1
91.51411	1.1
93.03472	73.0
94.03804	2.0
96.13931	1.1
115.04029	6.6
117.03486	67.8
118.03816	1.7
119.05040	6.3
123.04528	3.6
129.05605	6.0
133.06610	54.2
134.06972	3.3
135.04550	29.5
137.02547	1.4
138.03194	1.9
139.04048	1.5
145.06589	2.5
153.05594	16.1
156.05807	2.0
157.06642	1.5
161.02467	100.0
162.02789	5.5
171.04633	2.0
173.06114	2.0
175.03955	1.2
181.05156	3.8
185.06093	13.7
185.09760	2.7
191.07213	1.3
195.08192	7.3
196.08936	2.6
203.07166	4.6
205.05077	11.1
209.06116	2.2
211.11339	3.1
213.09276	1.4
215.07106	2.1
227.07169	11.5
233.08316	1.9
239.10849	4.4
253.04977	1.2
255.06723	5.4
255.10284	40.0
256.10831	6.3
269.08252	1.8
271.13431	16.2
272.13776	1.3
281.11960	2.5
291.08902	1.3
293.08209	3.0
294.08398	1.6
309.11377	5.7
315.12408	96.8
316.12857	9.6
325.10925	7.9
341.13971	2.3
353.10324	4.6
385.12961	40.6
386.13214	4.9
396.40259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
65.00318	0.6
65.74252	0.6
69.03443	1.8
69.89169	0.8
69.89497	1.3
81.03464	0.7
83.01395	1.2
93.03468	10.2
95.01384	1.4
107.01414	2.1
107.05027	1.3
111.04536	1.6
117.03477	46.8
118.03789	1.9
119.05038	2.5
123.04549	1.2
131.75674	0.6
132.05812	1.1
134.03740	0.6
135.00917	0.8
135.04532	2.7
135.08180	1.4
136.01649	0.7
137.06088	1.4
143.05066	1.7
145.02934	1.1
145.06593	0.9
148.05295	0.6
149.06029	0.7
151.04034	2.4
157.06613	2.7
158.03824	0.8
159.04536	5.3
159.08144	0.9
160.04988	0.6
161.02463	2.3
161.06055	0.6
163.04053	0.9
163.07661	16.8
163.08971	1.3
164.07967	0.6
165.05565	1.7
169.06502	1.1
171.04517	1.8
172.05292	2.1
173.06122	1.2
177.01976	1.7
177.09254	3.4
179.07176	1.3
185.06059	1.5
185.09781	1.3
186.03200	0.9
187.07608	4.1
189.05661	0.9
191.07124	2.9
192.04181	1.3
200.04808	2.6
201.05592	11.7
202.05843	0.8
203.07124	1.2
205.08725	2.7
207.06654	1.6
209.06020	0.8
211.07544	1.4
211.11365	1.2
213.05698	0.7
215.07176	1.4
223.07628	1.4
226.02797	1.1
227.03387	0.9
227.07155	1.3
229.08713	6.0
231.06677	2.4
233.08221	0.8
238.06322	0.7
239.10815	1.2
243.31827	0.6
250.06264	1.0
251.07161	1.8
253.05043	1.2
253.12355	3.1
255.03001	2.2
255.06668	1.6
255.10565	0.8
256.03702	1.3
265.08655	1.7
269.04575	0.7
279.10202	1.5
281.08255	3.1
281.11853	10.6
282.12112	1.2
297.11395	1.8
307.09674	2.0
309.07733	0.9
309.11249	0.6
325.10837	41.5
326.11194	4.7
335.09213	0.7
353.10318	100.0
354.10696	12.3
385.12921	26.6
385.17902	0.8
386.13309	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	385.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83089	2.6
59.01387	14.5
60.02165	2.3
65.00327	3.3
69.03472	16.1
70.03804	3.0
78.25060	2.6
81.20330	2.3
93.03471	67.1
102.90396	2.3
106.93600	2.8
110.00119	2.6
115.04021	4.0
117.03484	66.8
119.05038	26.3
120.05383	9.6
122.19379	2.4
123.04536	4.8
129.05643	5.3
133.06615	42.3
135.04546	31.7
141.19986	2.7
145.02962	2.7
149.73615	2.3
153.05580	13.3
161.02467	100.0
162.02895	5.7
163.00491	3.0
164.98314	3.2
165.99243	2.6
173.06079	3.4
181.05125	5.7
185.06111	11.3
187.04070	4.2
195.08139	4.6
196.08997	3.3
203.07298	3.4
205.05081	7.8
209.05991	2.3
211.11311	5.3
215.07365	2.7
227.07239	8.1
228.07890	2.8
237.72296	2.6
239.10901	3.3
254.03665	3.1
255.07166	4.9
255.10257	38.2
256.10757	4.0
271.13510	12.5
281.11957	2.7
285.04007	3.6
286.04858	5.4
287.04807	4.8
288.05399	4.6
293.08221	3.7
309.11194	4.8
315.12411	86.6
316.12775	7.3
325.10815	8.2
341.09283	8.5
353.10300	9.4
385.12766	85.2
386.13181	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33963	0.6
65.00311	1.0
68.99825	1.1
69.36263	2.5
77.29833	0.5
83.01404	2.0
93.03477	2.6
95.01397	3.6
97.06598	1.1
99.00890	1.7
110.00103	1.1
111.00909	3.3
119.05039	39.5
120.05392	2.2
121.06610	9.0
123.00911	3.7
123.04485	0.6
124.01672	0.9
124.98846	0.7
136.01651	1.1
136.98840	3.3
137.02452	1.1
139.00403	12.8
141.01949	1.2
145.03030	1.0
149.02458	1.0
149.06099	1.7
150.03255	1.2
152.01202	0.8
153.01952	12.6
153.05605	2.3
153.09248	0.8
163.04048	1.2
163.07677	0.7
164.01125	0.9
165.01878	0.6
165.05556	2.3
165.99046	0.6
166.99878	16.4
168.00224	0.9
173.06126	0.7
177.05605	1.5
178.02737	1.8
178.06317	1.3
179.07147	1.3
181.01456	6.5
189.05591	1.3
191.03484	4.9
191.07115	0.6
192.03870	0.8
193.01414	4.3
193.05067	16.0
193.84631	0.5
194.05457	0.7
196.79300	0.6
207.06635	21.7
208.07024	1.6
221.04562	16.8
222.05020	1.2
235.06120	2.4
241.05183	0.7
243.06563	0.9
245.04645	1.0
247.06160	2.2
251.09305	2.2
259.06131	1.6
265.07156	1.7
269.04553	1.4
271.09741	1.1
285.11133	0.8
286.04785	1.4
287.05637	23.6
288.05936	2.3
291.08560	0.8
297.11276	1.0
310.04965	1.1
313.10938	5.0
314.11111	0.8
323.09042	1.4
339.12119	0.9
341.10312	10.9
342.10757	0.9
352.98441	0.5
353.10306	1.9
357.13565	3.3
367.11829	1.5
385.12958	100.0
386.13300	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	385.1297
Annotation	KUSHENOL V
Peak:m/z	Relative Intensity
57.27832	1.1
59.01363	1.8
61.98832	1.8
65.00333	2.3
68.99814	1.5
69.23409	4.4
76.07551	1.0
83.01414	1.8
85.58585	1.1
90.08734	1.0
93.03475	2.5
95.01380	1.9
102.05642	1.2
110.00114	4.1
111.00949	2.3
117.03484	2.6
119.05040	53.9
120.05357	4.3
121.06588	8.0
123.00903	3.0
124.01666	2.2
135.04506	1.6
136.01657	1.3
136.98805	4.0
137.02448	1.3
139.00391	9.7
141.01953	2.5
145.03020	1.4
149.06041	1.5
150.03160	1.2
151.00380	1.5
153.01945	18.2
153.05544	1.9
163.04021	1.4
164.98346	3.4
165.05569	3.5
165.99004	2.3
166.98692	1.9
166.99892	19.6
167.99474	1.3
168.72235	1.1
178.06363	1.5
181.01443	8.7
191.03526	4.7
193.01376	2.5
193.05086	11.3
206.06006	1.1
207.06630	26.3
208.06952	1.9
221.04538	16.2
222.05038	1.6
235.06154	3.6
243.06747	1.1
247.06169	1.4
247.99931	1.1
248.72031	1.2
251.09241	3.0
259.06100	1.6
265.07208	1.8
269.04575	1.5
286.04657	3.4
287.05603	32.9
288.05484	9.7
297.11438	2.6
313.10898	6.6
341.10223	8.7
357.13550	5.4
385.12924	100.0
386.13364	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01719	0.9
60.94674	0.6
71.01380	4.3
73.02962	1.6
78.95927	0.6
82.40646	0.5
83.01400	0.7
85.02976	2.3
96.96023	2.2
97.59971	0.5
99.00880	0.8
99.23364	0.6
100.65388	0.5
101.02459	2.8
113.02479	1.8
115.04056	0.6
117.03465	4.2
119.05063	1.0
121.06645	1.6
125.02517	0.7
133.02972	0.8
135.04591	1.4
141.09050	0.6
148.05327	9.8
149.05789	0.7
159.03139	0.8
161.04604	5.4
163.07678	9.8
171.09880	0.7
213.00992	0.7
271.94229	0.7
307.18414	0.5
353.10577	0.7
385.09061	0.9
385.13339	1.6
385.19363	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86287	0.5
59.01387	100.0
60.01728	1.2
69.17860	2.2
69.18270	1.0
70.50179	0.5
71.82231	0.4
73.02914	1.2
101.02488	0.9
109.02992	0.4
112.62023	0.4
117.03461	0.5
119.05075	0.7
120.41019	0.4
122.54696	0.4
147.86426	0.5
185.02065	0.5
263.41174	0.5
283.02853	0.5
301.18341	0.5
379.71399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.84906	0.9
60.01730	1.5
69.09769	4.9
71.01402	1.4
96.18967	1.0
98.21790	1.7
101.02434	1.7
113.02516	1.1
117.03492	1.0
119.05054	3.4
166.42053	1.0
302.21924	1.0
385.12231	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	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.0
59.01385	100.0
60.01710	1.4
63.02410	2.2
65.00335	15.3
69.03434	1.4
69.43073	6.3
72.51922	1.1
73.02956	3.7
83.01404	10.2
85.02960	2.2
89.85835	1.1
93.03472	3.3
101.02464	2.7
104.50727	1.3
107.01399	15.4
117.03482	14.9
119.05003	8.9
125.02451	28.8
135.04530	2.6
137.09721	4.9
146.14612	1.1
149.02431	2.4
151.00386	41.8
166.02637	3.5
169.01453	2.8
179.07155	1.7
181.05078	9.7
182.05273	1.7
187.04034	2.0
207.53497	1.6
208.02747	12.2
221.01886	1.4
223.06067	1.5
225.02087	1.3
227.03539	5.2
228.48523	1.2
249.07593	1.7
251.03529	1.9
255.03065	5.6
279.03033	3.9
281.00833	1.4
283.02475	2.6
283.53931	5.0
284.03287	36.4
285.04001	1.9
297.04022	4.8
323.02084	1.6
324.99939	1.4
355.06683	6.3
385.12866	1.6
387.05490	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	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
70.56322	2.4
71.01382	7.4
85.02959	2.9
96.96043	5.7
101.02469	3.5
109.57938	1.2
113.02462	2.6
119.05042	1.6
148.05327	12.4
161.04533	5.8
163.07632	8.6
164.04869	1.5
179.07196	1.5
181.07684	1.4
222.67020	1.2
307.21988	1.2
385.18716	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	385.166
Annotation	Coetsoidin A
Peak:m/z	Relative Intensity
57.92828	0.5
59.01384	31.4
69.12715	1.2
69.13124	2.4
71.10728	0.4
81.03478	1.3
83.05078	0.6
84.59332	0.5
96.96021	14.8
122.03774	1.2
124.52874	0.5
134.03795	0.9
135.04567	1.0
149.02493	0.7
149.06203	0.6
150.03305	1.1
151.04034	0.7
159.08209	0.6
162.03148	0.5
163.04054	1.1
164.04649	0.7
165.05562	0.9
187.11331	0.7
191.03584	0.7
228.07863	0.5
241.08813	3.8
242.09276	0.6
243.10323	1.0
246.19896	0.5
251.10809	1.9
253.16127	0.9
265.12219	1.4
265.14764	7.6
267.10297	3.0
268.10800	0.6
269.08179	5.0
269.15601	0.8
279.14023	1.1
281.11856	8.1
281.15274	1.3
282.12497	2.7
284.11050	0.5
286.49896	0.5
292.10770	0.6
294.08942	0.6
295.09760	3.2
295.12814	0.7
296.13730	0.6
297.11636	0.8
297.14966	12.3
298.15219	1.3
307.13416	0.7
309.11389	5.0
310.12131	13.7
311.12546	1.5
325.14459	100.0
326.14792	11.3
385.09595	1.1
385.10730	1.0
385.16544	23.2
386.17062	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
55.01873	2.1
57.03456	3.4
58.00587	0.8
59.01385	80.8
60.01728	1.3
61.01818	0.7
69.03452	0.9
69.05299	1.2
69.05701	3.1
71.01389	70.2
72.01710	1.3
72.99302	1.6
73.02953	14.0
75.00858	0.8
81.03454	0.8
83.01397	6.0
83.05031	0.9
85.02959	21.6
87.00874	4.4
89.02452	36.7
93.59539	0.8
95.01414	4.7
95.05051	2.0
97.02968	5.4
98.11545	0.6
98.22594	1.7
99.00871	5.6
101.02451	33.5
102.02866	0.9
105.07107	1.3
107.05040	0.9
108.05830	2.6
109.02965	1.1
109.06609	2.2
111.00894	2.3
111.04548	1.0
113.02464	28.3
113.06109	2.6
114.02818	1.0
117.03468	1.7
119.03513	11.3
119.05035	2.2
120.05340	0.8
122.03738	1.4
123.08165	3.9
125.02495	1.6
125.06104	5.1
129.01958	1.0
131.03493	1.6
133.06949	0.9
135.06526	2.5
136.05334	2.9
137.06061	2.1
138.06874	21.4
139.07713	8.1
143.03505	2.7
149.02457	2.8
149.04488	0.7
149.06154	1.2
151.07658	20.3
152.04871	1.5
152.08447	39.5
153.09229	100.0
154.09564	5.5
159.02995	4.6
159.04324	0.9
161.04567	16.5
161.05873	1.2
163.03963	0.9
163.11292	2.8
164.04791	3.4
165.09193	1.8
166.02905	0.7
166.15013	0.6
167.07161	1.6
175.00368	1.4
179.05655	2.8
179.07083	1.0
189.09224	1.1
190.02739	3.2
190.09973	2.0
191.03542	1.0
205.05115	3.1
205.12355	30.8
206.05811	1.2
206.12738	2.1
208.03752	0.7
209.08224	1.0
221.08156	1.6
223.06161	5.7
223.09625	1.1
223.13400	13.5
224.13680	0.8
225.11375	1.3
245.73132	0.7
265.07266	5.5
276.13858	0.6
295.08340	2.2
296.36282	0.7
325.09354	4.1
385.08923	1.2
385.13766	15.1
385.18814	6.1
386.14267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71208	0.9
52.28444	0.8
55.88596	1.0
59.01374	2.7
61.98835	100.0
68.92084	0.9
69.03461	3.2
93.03468	11.8
117.03468	14.7
119.05038	1.6
130.08748	3.8
133.06619	8.7
135.04536	19.5
136.04922	1.2
153.05574	2.2
161.02461	18.1
162.02763	1.1
185.06128	3.0
185.09807	1.1
195.08081	1.0
205.05197	1.1
205.08740	2.0
227.07150	2.3
249.07649	3.0
255.10284	6.3
271.13486	2.2
275.09851	1.1
285.04022	2.6
315.12427	13.4
316.12659	2.4
322.20135	1.7
325.10791	3.3
327.16113	1.1
353.10236	1.7
367.11627	1.5
385.12903	15.1
386.12979	1.2
392.20319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.0
58.02969	4.4
59.01382	100.0
60.01718	9.0
65.00332	3.5
66.03467	3.4
71.01398	16.6
71.41537	3.7
72.99311	6.3
73.02934	3.9
83.01397	3.5
85.02975	16.8
85.58712	3.2
87.00894	5.6
87.04467	3.6
95.01398	8.3
96.96008	3.0
101.02470	4.0
108.02187	5.3
109.02946	9.2
111.00868	8.6
113.02454	12.4
119.05019	17.1
121.02964	7.1
130.49477	3.6
131.05042	3.9
135.04572	16.5
136.98819	4.4
137.02411	4.1
149.02451	25.5
150.55051	3.7
159.04495	3.2
161.02415	5.4
163.04005	6.5
164.04807	34.4
164.98190	4.3
165.01929	5.4
165.05283	3.1
167.03477	6.0
175.00383	9.4
177.02029	3.5
179.07133	10.3
181.05025	3.6
189.05577	9.7
190.02774	24.8
191.03561	4.0
199.03883	3.9
205.05054	22.2
206.05789	6.2
208.03906	4.8
219.06465	3.8
221.08167	7.2
222.03876	3.5
223.06084	34.1
223.13342	3.7
232.03835	5.3
236.17651	4.0
247.06140	26.3
254.18774	12.6
265.07239	9.2
285.03915	4.4
306.01746	3.2
324.22684	3.9
325.23242	5.5
342.24109	23.9
343.23996	4.2
385.06830	4.3
385.11227	19.4
386.08832	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	385.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.0
58.02969	4.4
59.01382	100.0
60.01718	9.0
65.00332	3.5
66.03467	3.4
71.01398	16.6
71.41537	3.7
72.99311	6.3
73.02934	3.9
83.01397	3.5
85.02975	16.8
85.58712	3.2
87.00894	5.6
87.04467	3.6
95.01398	8.3
96.96008	3.0
101.02470	4.0
108.02187	5.3
109.02946	9.2
111.00868	8.6
113.02454	12.4
119.05019	17.1
121.02964	7.1
130.49477	3.6
131.05042	3.9
135.04572	16.5
136.98819	4.4
137.02411	4.1
149.02451	25.5
150.55051	3.7
159.04495	3.2
161.02415	5.4
163.04005	6.5
164.04807	34.4
164.98190	4.3
165.01929	5.4
165.05283	3.1
167.03477	6.0
175.00383	9.4
177.02029	3.5
179.07133	10.3
181.05025	3.6
189.05577	9.7
190.02774	24.8
191.03561	4.0
199.03883	3.9
205.05054	22.2
206.05789	6.2
208.03906	4.8
219.06465	3.8
221.08167	7.2
222.03876	3.5
223.06084	34.1
223.13342	3.7
232.03835	5.3
236.17651	4.0
247.06140	26.3
254.18774	12.6
265.07239	9.2
285.03915	4.4
306.01746	3.2
324.22684	3.9
325.23242	5.5
342.24109	23.9
343.23996	4.2
385.06830	4.3
385.11227	19.4
386.08832	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	386.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21969	0.9
59.01386	13.3
61.98823	3.1
71.01409	6.8
71.01734	1.3
74.18959	1.1
83.01374	1.6
85.02950	2.2
87.00888	2.4
89.02444	5.3
90.38949	1.1
91.01902	1.6
95.01385	5.6
101.02462	3.5
106.87526	1.0
109.02948	1.4
111.00950	1.5
113.02453	2.9
117.03442	1.4
119.01355	2.6
119.03524	1.9
119.05037	2.5
133.02992	2.0
134.02509	1.3
134.03729	4.7
135.02585	1.9
135.04565	8.0
137.02478	5.5
138.01984	28.8
139.02298	2.1
161.02470	5.4
162.01929	8.6
163.00533	2.0
163.02109	4.8
163.99956	1.7
166.03189	6.8
167.08257	1.4
173.02464	1.9
176.45836	0.9
177.01927	7.9
178.03246	1.4
180.03046	5.0
185.02512	1.4
191.01646	1.1
192.04375	3.2
195.02937	2.6
195.04565	1.4
206.02573	7.0
209.06247	2.2
210.05373	2.6
220.02528	2.9
225.05757	1.7
225.07701	7.0
234.02226	3.2
235.04021	2.2
251.03429	2.0
253.05092	3.2
263.03528	1.7
281.04456	4.2
284.10104	1.0
296.05585	10.1
307.02423	2.5
324.05182	16.7
325.05460	3.2
342.06119	2.9
368.05872	100.0
369.06165	9.9
386.08444	3.3
387.13062	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	386.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	3.7
59.01384	100.0
60.01702	1.6
65.00333	3.6
68.99815	1.8
69.03464	3.0
70.02984	2.5
70.74641	1.2
71.01391	2.6
71.41224	1.5
72.00920	2.0
73.48208	1.3
81.03459	12.8
82.02988	27.5
83.01391	9.1
83.03269	1.3
84.04552	2.4
85.02985	1.9
86.02499	6.0
93.03483	3.9
95.01402	9.6
96.00958	2.9
96.04597	1.7
97.02959	4.8
98.02484	31.8
99.00892	11.3
99.04534	3.2
100.04043	7.3
104.94729	1.4
107.05075	2.1
108.04564	2.5
109.02973	6.9
110.00128	3.3
110.02512	4.3
111.00895	15.0
111.04527	9.0
113.02457	3.7
115.05542	3.2
115.08809	1.4
117.03458	3.7
119.05046	14.6
121.02964	4.8
123.00899	4.7
123.04542	3.0
124.04084	6.7
125.02428	14.0
126.01986	43.2
126.05649	1.7
127.00379	2.8
131.05037	9.3
133.02939	2.1
135.04539	2.1
136.04103	2.2
137.02467	6.0
138.02019	3.4
138.03232	2.3
138.05620	1.9
139.00418	2.8
139.04073	4.2
141.01971	2.1
143.05022	3.8
144.03061	3.8
144.30772	1.4
145.06625	6.7
147.04543	3.1
147.08185	2.7
149.02452	3.3
150.02998	1.3
151.00377	4.2
151.04005	3.2
151.50507	1.3
152.03537	2.6
153.01978	3.4
153.05635	1.7
154.01451	3.5
154.05098	1.5
154.99998	1.3
155.04669	1.7
157.06580	7.2
159.04518	2.6
161.06102	6.6
161.55460	1.5
163.00310	2.1
163.04050	5.0
164.03540	2.8
164.98338	2.2
165.02005	4.9
165.05629	2.0
165.99051	1.9
166.05022	2.0
167.03500	2.2
168.03041	2.9
169.06596	3.8
170.04602	2.1
171.04565	4.1
171.07774	13.5
172.05312	1.7
173.06058	3.4
177.01944	2.1
177.05571	4.0
180.03035	2.0
181.05096	2.3
182.04640	5.0
184.02495	2.2
185.06097	5.6
187.04048	9.9
187.07666	4.1
188.04825	2.5
189.05588	8.9
191.07166	1.7
192.03067	2.6
194.04567	4.2
194.12950	2.0
195.07912	6.6
196.02480	3.2
197.05980	5.2
198.04117	4.0
199.04160	2.9
199.07684	2.6
201.05566	3.6
203.07210	6.2
207.02974	1.8
209.09737	2.1
210.04036	3.3
211.07555	2.5
213.05579	3.8
215.06889	10.9
218.74608	1.4
221.08148	3.2
223.07776	2.2
225.09200	1.9
229.05061	2.6
237.09006	1.7
238.03586	2.8
241.05139	5.8
243.06645	7.5
251.07118	4.9
253.08711	4.0
254.18819	4.2
259.06177	2.1
267.06708	1.8
269.08173	4.9
271.28351	1.4
272.06488	2.2
273.06973	1.4
281.08228	1.7
285.04184	4.6
287.05817	1.8
295.06097	3.2
296.09265	2.3
297.07721	7.8
299.05231	1.5
308.23700	1.5
314.10425	3.0
323.05545	4.5
324.09067	1.7
326.21127	1.8
326.24530	9.2
327.08316	1.4
340.08206	4.3
343.12866	2.4
349.76807	1.3
358.09225	5.4
368.07632	6.9
386.08688	35.1
387.08820	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84272	3.2
54.87008	3.7
57.93467	2.8
59.01383	28.0
65.00327	4.8
67.01879	5.1
71.31876	3.2
73.57962	3.0
75.91814	3.1
75.92313	3.8
81.03447	4.3
82.02992	8.1
83.01395	15.8
86.02493	6.5
87.00863	5.2
93.03447	11.4
94.02992	6.2
95.01383	15.9
95.05048	3.9
96.00922	3.7
97.02968	6.1
98.02478	5.3
98.22672	9.0
108.04553	6.1
109.02960	28.5
110.02470	10.8
111.00887	4.4
111.04510	4.0
113.02502	3.6
114.01902	3.8
115.05561	12.2
118.02987	16.6
119.05046	5.3
121.02969	4.2
123.00871	4.2
123.04523	10.3
124.04044	12.6
125.01205	6.7
125.02433	7.3
126.01964	12.3
127.05507	6.4
131.05032	33.1
132.05339	3.7
133.06561	5.9
135.00919	4.5
136.04047	23.1
137.02458	19.7
138.01971	21.4
139.00374	3.9
139.04053	17.9
140.58252	3.4
141.07063	4.1
143.05067	6.0
145.06590	4.6
147.04547	17.7
147.08270	4.2
149.02463	8.7
150.05611	8.4
151.04002	11.6
152.03525	9.8
153.01926	6.3
157.06572	5.1
161.06085	100.0
162.01973	70.4
162.03238	5.9
162.06439	6.6
164.03568	24.4
165.05595	7.6
169.06622	4.5
171.04547	11.1
173.06052	7.3
175.04073	6.3
177.01912	5.1
178.99715	3.7
180.03032	54.1
182.04565	4.1
183.08183	4.1
185.06120	9.7
187.07631	5.1
190.02794	6.5
193.05081	12.4
194.04594	22.9
195.08115	7.0
201.05603	11.7
209.09818	5.1
211.07767	5.7
219.03052	10.2
224.01949	6.5
227.07146	8.8
229.05093	25.2
236.05688	26.7
237.06032	5.1
237.09143	10.1
239.07129	12.8
241.05087	7.8
246.69080	3.9
253.08705	7.5
255.10422	4.4
263.07220	4.7
266.05914	3.6
281.08289	16.0
282.07846	6.0
283.06009	16.5
294.92697	3.2
296.09259	9.3
299.09195	9.4
324.08884	18.3
326.06784	4.8
327.07440	7.6
342.09778	14.6
386.08694	34.7
387.09171	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	386.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15070	0.8
59.01380	3.3
66.25399	0.8
69.54823	3.4
71.01384	1.3
80.60330	0.8
81.03432	0.9
83.05015	1.4
93.03461	1.7
95.01384	3.4
96.00990	1.2
96.02184	1.7
96.13512	0.6
96.96018	1.4
97.02966	1.7
98.02499	3.4
99.00899	1.9
101.32962	0.7
106.04284	2.0
107.05045	8.5
109.02943	1.7
111.00909	5.0
111.04530	7.9
113.02493	4.0
119.05032	5.6
123.00902	1.0
123.04527	4.7
125.01093	0.8
125.02414	0.9
126.01984	0.9
135.04507	1.0
137.02477	1.0
138.02011	1.0
141.01981	4.5
148.05327	14.5
149.06094	16.4
150.05597	12.6
151.03987	3.6
153.01976	1.6
153.05597	2.3
173.06128	0.8
175.04114	0.9
176.03557	2.9
177.01891	1.6
180.02945	1.3
180.04358	2.3
192.06683	100.0
193.07002	6.0
194.04695	2.5
198.04115	4.9
201.01933	1.5
209.13217	0.8
220.02525	3.2
222.04089	1.7
236.05658	72.9
237.06079	4.7
237.09073	2.4
240.05159	8.5
241.05228	1.3
262.03720	1.3
280.04648	27.7
280.09775	2.7
281.04895	2.3
307.02451	1.0
324.08844	3.1
368.07742	4.2
386.08832	15.0
387.08887	1.4
387.16818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29930	0.5
59.01385	0.9
65.99860	0.8
66.83505	0.5
70.34105	0.7
70.34452	0.8
71.01389	17.5
83.01392	0.6
93.03374	0.6
94.03030	0.6
109.01657	0.5
110.02477	3.4
110.06023	0.5
115.00381	32.5
120.00880	0.6
122.02492	1.6
123.03275	5.0
127.03259	0.5
134.02495	4.1
135.03273	5.9
136.00410	2.3
138.01976	2.4
150.02019	1.3
151.02757	4.4
155.02298	0.8
157.06602	1.0
165.00670	0.6
166.01457	2.1
173.06110	1.1
181.06572	0.5
191.03577	0.6
192.03055	2.8
200.07231	0.8
217.01500	1.2
224.07399	0.8
226.08774	1.9
228.06654	1.9
242.08250	42.3
243.08594	2.4
250.03650	0.6
252.06540	1.3
254.08379	0.6
270.07730	100.0
271.05426	0.9
271.08081	9.2
282.07703	2.9
296.09268	2.4
326.10330	1.0
342.10092	0.9
354.09711	3.4
356.57257	0.6
368.07593	1.3
386.08679	17.0
386.12683	1.6
387.09064	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	386.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
60.50799	0.7
63.01144	1.0
64.01917	0.9
65.00325	6.6
65.99864	3.3
68.99831	1.8
69.07893	5.3
83.12550	0.6
91.00654	1.1
95.00126	1.6
96.00972	1.2
101.03954	0.8
107.00161	2.1
108.00942	1.3
109.38905	0.7
110.00109	4.4
115.05604	1.2
116.05061	9.5
116.05746	0.9
117.03489	3.6
120.00914	3.7
127.05541	1.1
135.04477	0.9
136.00426	4.0
136.98810	0.7
137.44830	0.8
137.99622	1.4
139.05525	1.3
140.05077	6.0
142.06653	4.2
143.05109	0.7
151.00386	0.8
154.06741	0.7
158.06152	4.3
162.02025	1.1
163.99959	2.8
165.99146	2.7
166.06659	4.2
168.04648	3.4
169.06563	1.0
170.06119	1.1
171.04546	3.2
173.06036	1.2
179.07309	0.9
181.05357	1.0
182.06134	9.9
186.05630	8.7
194.06160	1.1
194.49336	0.7
197.04831	1.0
198.05592	5.7
208.03952	1.0
210.05605	8.8
211.06305	2.3
213.05348	0.8
222.05661	2.8
223.06403	4.7
225.04228	1.0
226.05104	25.8
227.05373	1.4
234.05791	0.7
235.06357	1.0
238.05231	1.7
239.05898	1.8
252.03015	1.3
254.04599	28.5
255.04803	1.6
266.04733	1.7
267.05463	2.5
268.06146	6.2
270.05328	3.5
280.06070	4.8
288.10312	8.7
289.10632	1.2
295.04742	1.0
302.11856	1.7
316.09821	3.3
330.11340	8.4
340.09720	2.7
342.11453	1.0
358.10870	100.0
359.11185	12.1
368.09338	6.5
386.10394	64.7
387.10779	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	386.1247
Annotation	periglaucine C
Peak:m/z	Relative Intensity
51.99512	0.7
65.03942	0.7
68.99780	1.5
78.01083	2.6
79.01897	0.7
81.03429	2.1
83.04983	1.3
87.99207	0.6
91.01863	1.0
92.02651	1.4
99.00871	1.4
105.03442	1.4
106.06627	3.1
107.01961	0.7
107.05037	3.5
108.02130	2.2
109.02891	0.7
110.00096	3.9
111.00796	0.8
117.03451	1.3
121.02962	0.9
123.00845	1.2
131.05046	0.7
131.68321	0.7
133.02963	1.0
135.04471	1.9
136.01628	2.5
136.04027	0.8
137.02400	1.0
137.99568	1.8
148.04025	2.8
149.02472	5.3
149.99512	1.9
150.05614	4.0
151.04062	3.3
157.06538	1.2
159.00783	1.0
161.02403	2.3
163.00372	1.5
163.04015	9.5
163.67589	0.6
164.01131	2.0
164.04794	6.3
164.98244	1.5
165.99081	8.5
171.04463	2.7
173.06084	7.1
174.03180	1.1
176.03395	0.9
177.01944	3.6
179.03537	3.7
181.06511	1.9
182.04584	3.2
184.05261	0.8
188.01201	0.9
191.03523	13.0
192.00604	2.0
192.04205	2.9
194.04510	2.6
203.87939	0.7
205.01370	1.3
206.04514	1.2
207.03368	0.6
207.05305	3.4
220.02512	5.8
221.09698	1.7
222.02086	0.9
222.04102	17.1
223.04443	1.2
223.11166	0.7
225.05550	1.0
226.06355	1.0
235.04903	5.4
236.05524	0.9
237.09238	1.3
239.10878	0.8
241.08623	1.3
247.07501	0.8
248.01938	0.9
249.09280	1.1
250.03581	13.5
251.04034	1.2
251.07031	0.8
253.05093	0.9
254.05945	0.7
255.10150	1.0
263.04391	0.8
265.08707	4.5
268.07376	1.1
270.05325	7.4
270.07944	1.0
271.06049	3.4
275.07159	1.3
278.05655	1.1
280.10046	0.7
283.09729	9.3
284.09561	1.7
292.10013	0.8
293.08249	3.7
296.06955	0.8
298.10837	2.3
308.09262	5.9
309.07574	0.8
311.09116	3.4
312.08911	1.9
319.06033	1.2
326.10333	46.6
327.10696	6.1
336.08804	9.6
337.09204	0.9
354.09830	100.0
355.10129	11.5
386.12473	75.1
387.12833	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	386.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53604	6.8
59.01373	10.0
61.98837	18.7
64.02641	6.1
69.75144	19.7
71.01392	11.9
71.05032	8.2
74.02519	8.3
78.95930	22.9
84.46309	5.9
88.04042	90.8
110.98545	18.5
127.05148	9.8
128.03500	7.7
139.03986	8.4
146.08284	35.4
149.16928	6.2
167.04784	20.0
218.10358	100.0
253.80716	6.8
257.19717	8.7
312.24384	6.6
386.20520	20.7
387.13770	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	386.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15636	1.0
59.01379	11.3
61.98828	1.2
71.41115	1.2
71.57938	1.1
83.06149	2.8
83.99434	1.9
86.93870	1.0
87.00910	1.4
98.22720	1.1
101.02445	9.7
108.05694	1.4
112.08796	1.5
130.08748	74.0
131.08270	47.8
131.09038	2.8
132.08646	3.7
141.00510	2.6
141.01540	1.6
141.05241	1.7
142.14059	1.1
149.42346	1.1
150.05281	3.5
154.00002	1.6
156.07829	2.4
157.03639	5.4
158.03679	3.3
159.03337	2.8
168.99948	1.7
172.01041	9.5
173.10449	8.1
174.10727	2.7
176.80107	1.0
178.04674	2.4
183.01514	19.1
184.01668	12.1
185.01224	3.7
185.02924	1.5
188.07829	4.4
192.02577	2.0
192.06366	2.1
194.07884	4.1
196.05782	18.5
197.06190	1.3
197.07835	5.3
201.02521	1.8
202.02797	1.1
212.08920	2.2
214.05794	2.5
227.09532	1.2
231.08374	3.0
238.04436	2.6
238.06841	47.3
239.07004	5.3
241.06886	3.4
242.08989	2.9
243.03603	4.7
243.08353	18.5
244.03728	2.7
244.08748	1.6
245.03432	1.4
252.12146	1.7
254.08923	3.9
255.09428	42.8
256.09848	4.0
260.56384	1.1
261.12106	1.5
263.10196	1.9
273.10654	1.7
302.15814	7.1
309.14215	100.0
310.14377	14.7
323.68225	1.2
326.03061	1.6
326.16849	81.4
327.16989	10.0
344.17911	3.1
386.18433	6.4
387.18649	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	386.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98843	2.6
71.01380	3.6
71.41508	2.8
77.44521	2.4
82.64256	2.0
85.02962	2.1
85.78799	2.2
93.03449	2.0
97.01109	2.3
99.05643	3.4
103.69526	2.1
109.45876	2.4
111.00890	3.4
113.02500	3.6
115.08794	3.1
119.03609	2.2
119.05057	8.0
136.01364	3.1
139.00394	4.1
151.03978	5.6
161.02551	2.2
196.14413	2.3
238.19223	27.3
239.19589	3.3
257.78357	2.2
285.04031	2.6
301.03464	4.7
326.24518	6.6
386.08746	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17643	4.3
57.70989	4.2
59.01384	23.1
65.00321	3.5
65.03967	6.8
67.01894	6.6
68.99799	4.2
69.03457	5.1
72.99323	15.3
75.00883	4.9
76.40823	3.3
81.03471	12.7
83.01405	13.4
84.95275	3.5
85.02959	5.3
93.03465	50.2
95.01387	20.5
95.05036	9.3
97.02981	19.1
99.00883	6.5
101.02471	8.4
103.05533	4.3
107.05041	8.7
108.02153	6.2
108.04573	3.5
109.02946	35.7
110.00122	4.4
110.02457	4.0
111.00893	15.2
111.04550	11.3
113.02496	8.4
114.02060	3.2
115.05566	16.3
117.03473	3.4
119.05041	8.7
121.02973	18.4
122.03745	8.2
123.00908	11.6
123.04544	21.6
125.02466	56.5
127.05571	8.6
131.05029	54.2
133.02965	4.6
133.06595	11.0
135.04477	5.7
136.01689	24.1
136.04111	5.3
137.02449	63.4
139.00381	7.4
139.04042	22.9
141.07106	5.1
143.05025	10.0
145.06596	14.5
146.03734	5.8
147.04512	23.1
147.08191	6.4
149.02446	8.9
150.03188	3.9
151.00385	6.6
151.04015	69.4
153.01976	4.1
153.05595	4.3
155.03506	3.4
157.06598	4.5
159.04518	12.4
161.02455	5.8
161.06102	100.0
162.03229	8.6
162.06450	6.1
163.00433	4.7
164.03529	6.4
165.01939	10.1
166.02753	15.1
167.03497	10.5
169.06604	9.7
171.04431	5.1
173.06157	6.2
175.07668	6.3
177.01920	10.9
181.01453	16.2
181.05072	26.2
183.08116	8.2
185.06070	10.2
187.04031	12.6
187.07695	5.3
189.05576	4.9
193.01588	4.1
195.03058	5.3
195.08160	10.3
197.09700	6.2
201.05565	13.3
203.07109	5.5
207.08173	4.7
208.02499	8.6
209.09735	21.5
211.07608	10.4
211.11459	4.9
213.05701	5.6
213.09317	8.2
221.06082	4.8
225.00381	9.2
225.09262	12.9
229.05038	38.2
235.07695	6.7
237.09261	31.3
238.09654	4.2
239.07129	25.6
240.05135	7.1
241.05083	9.0
243.06635	3.8
251.07024	4.6
253.08682	35.1
255.10289	10.5
270.11197	4.8
271.09698	6.8
279.06784	5.3
281.08203	70.7
282.08539	5.5
297.07797	17.8
299.09366	10.3
300.09299	5.1
325.07159	60.8
326.07529	4.8
340.73019	3.6
343.08264	8.6
357.09805	11.9
387.07077	7.7
387.11121	8.1
387.15237	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	387.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	5.8
68.99824	13.9
81.08952	0.8
81.40606	0.8
92.91321	0.8
101.03975	7.1
115.05524	2.0
117.03480	17.3
119.05048	1.1
127.05556	1.6
139.05510	1.5
141.03360	1.1
141.07124	3.0
143.05025	5.1
147.04533	3.5
151.05542	2.6
167.05045	22.0
168.05641	1.3
169.06656	1.7
171.04539	72.9
172.04889	5.1
183.04550	1.1
184.05305	1.0
185.06136	3.9
209.83168	1.1
211.04024	32.1
212.04424	2.1
213.05453	1.3
224.04799	12.5
237.05666	2.5
269.09784	4.9
270.10138	1.1
271.11261	5.2
287.10934	1.6
297.09253	5.5
299.10812	2.8
301.08676	1.6
315.10312	43.4
316.10550	4.7
343.09775	100.0
344.10025	12.6
359.09283	1.7
387.08765	55.6
388.08826	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	387.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01771	3.1
58.36989	2.7
59.01376	7.6
63.86142	2.8
64.30109	3.2
65.00340	9.5
71.41986	3.5
87.61052	2.8
87.96253	3.1
95.01402	7.4
95.13392	2.8
110.00117	7.2
119.05072	17.7
119.14801	4.1
121.03039	5.1
134.76280	3.2
136.00417	11.5
143.05063	7.0
145.02950	5.5
163.00412	14.8
163.99936	12.1
165.00670	5.8
167.05043	4.0
169.06549	4.7
171.04526	18.0
173.06082	6.6
179.56932	3.2
184.38704	3.1
185.06058	13.0
197.06062	9.6
199.04054	5.2
211.04010	7.1
213.05602	9.9
239.03473	19.3
241.05013	28.6
242.05650	3.1
253.05130	6.8
255.68451	3.6
257.00034	2.9
267.03033	32.5
267.10306	31.8
268.03741	70.8
268.06247	34.3
268.10876	23.4
269.04138	8.0
269.06955	10.1
311.12863	6.8
312.13614	39.1
313.13919	4.4
315.10345	8.0
327.16058	77.0
339.78918	3.5
343.09653	15.7
345.17081	11.7
385.10184	3.5
387.09064	6.7
387.18182	100.0
388.12253	7.0
388.18250	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53704	0.6
58.00396	0.6
65.03974	1.0
68.99842	0.9
69.35568	2.6
78.01107	2.6
81.03427	1.4
83.01387	3.5
86.53484	0.6
92.02707	0.6
92.60623	0.6
93.03459	0.6
105.03471	7.8
107.05047	7.3
108.02192	1.4
117.03465	1.3
122.00111	0.7
123.04474	0.7
125.90993	0.6
135.04532	1.9
136.01663	1.8
137.02432	0.9
137.99544	1.0
139.03970	1.3
149.02458	2.1
149.99605	2.1
151.04042	6.0
151.08125	0.6
157.06668	0.9
159.32086	0.6
162.03291	0.6
163.00372	0.7
163.03998	3.0
164.04819	27.9
165.05249	1.2
171.04585	2.0
173.06088	2.0
176.04823	0.9
177.01958	9.6
179.03528	15.9
192.04292	13.5
193.05055	0.9
193.10159	0.6
197.06281	0.7
205.10355	0.8
207.03030	5.5
208.05246	0.9
212.04774	1.0
221.09750	2.5
225.09262	0.8
226.06441	0.7
233.04700	0.8
237.09309	1.0
240.07851	0.7
241.08759	2.8
242.03705	0.7
249.09219	1.0
253.05270	0.7
255.10205	1.6
265.08707	6.6
266.08887	0.8
267.10318	1.1
269.04617	0.9
269.08133	1.1
270.05252	3.1
270.07855	0.7
271.08176	1.4
283.06552	1.3
283.09787	52.2
284.10156	6.0
293.08215	8.2
311.09277	100.0
312.09631	11.0
343.09735	0.8
355.08261	29.6
356.08612	3.2
387.09653	1.3
404.02747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.109
Annotation	(1'S,5'S)-5'-Hydroxyaverantin
Peak:m/z	Relative Intensity
59.01384	0.9
69.03445	0.8
69.90604	0.6
79.95715	0.7
81.46622	0.5
87.04506	0.7
98.22710	0.9
107.05042	1.0
109.02946	4.0
115.03987	1.5
117.03473	2.2
118.03863	0.7
119.05016	2.7
123.04559	1.2
128.03639	0.5
132.02170	0.9
133.02971	71.2
134.03259	3.4
135.04559	4.5
137.02409	1.6
137.06084	2.9
145.02943	0.7
151.04015	5.2
161.02448	2.1
163.07599	1.6
174.03223	2.1
175.04025	16.2
176.04388	0.9
177.01891	1.7
179.03508	2.3
189.05646	0.8
191.07138	1.1
199.04054	2.8
201.01920	7.7
201.05490	1.4
203.03435	1.4
207.02983	1.1
207.06456	0.7
211.03941	0.9
215.07216	0.8
217.05089	5.0
224.04681	0.8
225.05620	1.9
227.03487	1.4
227.07144	2.2
233.08170	2.6
240.04469	0.6
241.05115	1.7
243.02953	2.1
243.97426	0.7
245.08110	1.4
253.05075	4.4
253.08713	3.0
254.05783	1.3
255.06615	1.3
269.04617	0.9
271.02545	7.9
271.05472	1.1
273.07709	1.1
279.03174	1.1
279.10455	0.9
281.08264	3.9
281.11157	0.7
282.08914	1.0
283.06009	0.7
286.87244	0.6
297.07645	4.3
297.11353	2.3
298.08466	1.2
299.05728	0.9
307.06018	1.9
308.06848	1.5
313.03754	0.7
323.09113	1.7
325.07111	1.9
325.10773	3.0
325.14075	0.6
327.11774	1.3
341.10379	4.9
343.11932	1.6
351.08621	1.8
355.10968	1.9
369.09814	100.0
370.10141	11.8
387.10809	23.6
388.11261	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.4
55.14826	1.9
57.03438	4.1
58.02967	4.3
59.01385	48.7
64.82645	1.9
65.90194	1.8
66.03496	2.4
68.01415	1.9
68.99802	2.0
69.73909	7.1
71.01390	15.3
72.99298	4.6
73.02958	6.6
79.23849	1.8
80.05065	2.6
80.39273	2.0
81.03466	36.9
82.02986	9.5
83.01393	4.6
85.02958	7.4
87.00887	3.1
89.02448	10.4
91.88112	2.1
92.05104	2.3
95.01410	12.9
99.05634	4.0
101.02482	14.5
109.02991	4.4
110.00088	2.2
110.02499	7.7
110.06139	9.5
111.00931	2.4
113.02467	11.4
119.03550	5.1
119.05043	2.6
121.03001	10.0
122.00109	3.4
122.06149	4.0
123.00887	13.2
123.04478	2.0
126.93913	1.9
127.00385	4.7
130.04236	3.5
134.06119	7.0
135.04549	3.3
135.05672	3.0
136.00372	2.1
136.98828	4.7
137.02458	27.0
138.03230	8.1
138.05629	2.3
139.00366	9.2
140.03520	5.1
145.06612	36.8
146.07004	2.7
151.08794	8.7
152.03534	4.9
153.05576	7.5
153.06729	29.0
155.03500	4.6
166.99876	6.4
171.04529	5.0
172.05287	2.3
175.08757	4.1
181.01428	22.2
182.02272	10.7
183.02969	7.4
187.07668	20.4
193.09863	36.6
194.10242	2.6
194.92361	2.0
197.04572	29.7
197.06190	3.2
199.07701	3.8
200.57861	1.9
207.10289	5.3
216.10347	12.9
225.04034	4.7
226.07179	2.8
231.06670	7.2
235.45901	2.0
237.08904	7.2
241.05078	4.7
243.06566	3.7
255.06790	2.7
256.13541	3.0
260.09344	2.3
299.09091	2.6
299.14044	32.6
300.14371	4.3
307.02347	7.9
343.13107	12.8
357.08304	12.5
372.10733	19.3
387.07614	4.4
387.12918	100.0
387.16833	25.6
388.13300	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	387.13
Annotation	Syringoxide
Peak:m/z	Relative Intensity
51.75189	1.1
55.32608	1.0
59.01392	10.0
69.63676	2.6
69.64063	2.5
71.01395	2.9
85.02938	1.3
87.00883	1.4
97.03027	1.2
108.02173	2.0
109.02950	2.5
113.02414	2.4
116.92870	1.8
119.03604	1.3
119.05015	4.8
120.05365	1.7
121.02932	2.0
123.00838	1.4
123.04527	1.9
137.02429	4.9
139.04018	3.3
150.03198	2.6
151.04024	26.0
152.04610	2.7
152.50362	1.1
152.71594	1.3
153.01953	2.8
159.92137	1.2
161.02452	1.8
165.01935	2.7
165.18954	1.2
166.02776	1.4
166.06369	4.8
167.03549	6.0
176.01109	1.5
177.01942	7.2
179.03519	3.2
180.06587	1.7
183.92204	1.2
192.04234	7.3
194.02216	2.6
195.03006	39.6
195.06654	2.1
196.03267	2.2
198.05338	2.2
209.04567	41.3
210.05345	41.8
211.05762	2.5
224.06918	17.7
225.07698	100.0
226.08034	6.8
265.04742	2.1
270.11356	1.7
278.67560	1.2
345.84396	1.3
367.70026	1.4
369.11035	3.0
387.08914	3.8
387.13235	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37342	0.9
57.39330	1.0
59.01382	54.2
63.39132	0.9
65.00314	1.0
69.74377	3.2
71.01386	24.6
73.02966	1.8
75.00860	2.0
80.88136	0.9
83.01392	2.1
85.02969	5.4
89.02451	27.1
90.02757	1.3
93.03477	4.6
95.01379	2.2
95.05010	0.9
97.02953	1.2
98.21966	1.4
101.02457	14.4
102.02853	1.1
110.00013	1.1
111.00881	1.1
113.02442	10.7
117.01923	1.0
118.64297	0.9
119.03525	9.6
119.05044	1.4
121.02939	2.3
123.04556	1.7
125.02434	1.0
136.98808	1.1
137.02466	2.2
138.03249	1.2
149.02425	4.9
153.01895	1.0
155.08289	0.9
161.02512	1.3
161.04510	1.6
163.04088	1.0
163.11255	1.5
165.73637	1.2
167.03510	1.8
177.01942	35.0
178.02556	2.4
181.05125	1.1
191.03606	1.1
192.04312	49.0
193.04831	2.9
207.06647	100.0
208.06973	5.1
237.06073	1.0
237.08777	1.7
307.02289	9.0
386.97977	1.2
387.09021	2.6
387.16702	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	387.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04765	3.1
59.01383	52.8
65.00340	10.9
68.44339	3.4
69.03459	4.5
69.23875	18.2
71.01386	19.3
72.99326	3.8
73.02941	11.7
74.02479	5.4
79.95750	7.9
83.01389	8.0
83.05106	3.2
85.02971	9.6
89.02446	4.8
93.03461	12.0
95.01402	5.7
97.02986	3.2
97.06635	4.5
101.02451	9.8
108.02163	3.7
109.02962	25.1
111.00901	7.7
111.04473	3.7
113.02404	7.3
115.04027	14.8
117.03487	36.0
119.05047	55.8
121.03007	4.3
121.06651	4.0
123.00902	6.3
123.04535	10.9
125.02459	3.6
127.00368	3.8
131.05095	5.1
131.83237	2.9
133.02972	63.6
134.03676	4.0
135.04529	19.3
135.08127	6.0
136.01730	3.7
136.98796	16.8
137.02480	7.2
137.06116	26.4
138.03221	9.4
138.06445	3.3
139.04033	11.3
145.02986	6.2
146.03723	3.5
147.04564	5.3
148.05322	8.2
149.06116	8.9
150.03247	3.5
151.04034	18.8
153.01955	11.4
153.05562	23.9
153.09294	4.7
159.04541	9.2
160.05331	18.3
161.02435	18.2
161.06096	6.3
162.03305	3.9
163.04010	5.1
163.07710	9.2
164.01486	3.0
165.01941	5.6
174.03162	5.5
175.04024	15.0
175.07680	8.9
176.04576	3.0
177.02028	5.8
177.05573	58.3
177.09247	3.9
178.06380	15.9
179.07172	13.2
180.04202	6.4
181.05014	7.0
181.08762	3.6
183.06728	4.3
187.04047	14.7
187.07698	4.3
188.04784	7.0
189.05563	4.9
191.07097	18.9
192.07916	7.3
195.06769	7.9
196.67429	3.0
199.04042	8.0
201.02039	4.7
203.07141	57.2
206.05870	14.8
207.06653	9.6
210.05270	3.5
217.05043	6.4
221.08218	53.6
224.06956	14.3
225.07689	50.0
226.08133	4.4
240.07954	3.3
240.21378	3.2
245.08179	9.4
251.09288	7.7
253.04958	19.1
257.04599	10.6
267.08734	27.4
271.02557	7.6
271.06158	17.5
279.06506	3.6
281.08124	4.1
297.07724	6.9
297.11334	3.4
311.10007	4.2
323.09094	6.9
327.08777	4.5
339.08783	9.8
341.10294	21.6
342.11124	4.7
343.20599	3.6
355.12009	17.5
356.12241	5.7
357.13419	10.1
369.05463	6.5
369.09763	100.0
369.13504	9.8
370.10178	11.7
370.14261	4.6
387.10800	40.9
387.14935	21.6
388.11041	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	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
71.01394	1.0
85.02926	1.0
92.02703	0.7
93.03491	0.9
95.01406	1.6
95.05048	0.7
108.02206	1.9
109.02953	4.7
111.00916	0.8
117.03493	1.0
119.05029	1.2
121.02977	4.6
121.06722	0.5
122.03738	1.8
123.00892	3.4
123.04520	1.4
124.01693	0.8
125.02438	1.1
133.02980	2.4
134.03680	0.7
134.20378	0.5
135.04570	0.9
136.01680	84.6
137.02501	16.5
137.04224	1.3
145.03020	0.9
147.04462	0.9
149.02449	1.5
149.06036	1.0
151.00421	17.9
151.04025	100.0
152.01146	1.8
152.04387	5.5
153.02010	0.9
159.04544	0.9
160.05315	1.7
161.02496	1.2
162.03268	2.5
163.04007	2.4
165.01976	0.7
166.02734	35.7
167.03381	3.6
174.03217	1.4
175.03992	3.8
175.07646	1.8
176.04611	0.9
177.01999	3.3
177.05582	2.6
178.02724	0.8
179.03520	1.4
181.05090	62.3
182.05446	2.9
187.04047	1.3
188.04898	0.6
189.05560	0.8
190.06398	1.2
191.03557	0.8
192.04404	0.7
195.02940	1.0
203.07343	0.7
204.82001	0.6
205.05116	1.9
205.08734	1.3
207.06624	0.7
209.66345	0.5
245.08223	1.1
256.07324	0.6
284.06985	0.6
299.09070	0.9
307.09875	1.6
329.10211	2.8
341.10324	1.1
341.14047	1.7
355.11029	1.9
357.09827	19.3
358.10132	2.7
369.09842	1.8
372.12180	15.4
373.12518	2.5
387.14563	38.9
388.14896	4.0
404.78864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20567	0.3
59.01392	2.2
62.43430	0.3
65.00320	0.4
67.01896	6.1
67.47800	0.3
69.71907	0.7
69.72313	0.6
71.01397	0.7
73.02961	1.5
80.96536	0.6
93.03461	1.8
95.01398	0.4
95.05036	0.3
98.95612	0.3
99.04557	0.6
101.02443	0.3
109.02972	0.6
111.04542	0.4
115.04065	0.4
117.03472	1.6
118.96634	0.5
119.05044	100.0
120.05376	4.9
121.06609	2.6
123.04565	0.6
127.03933	0.3
127.07622	0.5
129.46744	0.3
132.98254	0.4
133.02957	1.0
135.04483	0.7
135.08153	0.6
136.71346	0.3
136.98798	0.3
139.04031	7.9
140.04489	0.4
145.02972	1.0
147.08183	0.4
149.06038	0.6
151.04013	0.9
161.02480	0.7
163.07655	1.1
165.05508	0.3
169.34926	0.3
170.99773	0.7
173.06070	0.8
181.05078	0.7
181.08717	0.5
184.72960	0.3
191.07213	0.9
195.10286	7.5
198.99295	0.7
205.08717	0.9
221.85620	0.3
223.09787	5.3
224.10223	0.5
225.07730	0.9
225.15016	0.8
235.06265	0.4
243.09119	0.5
267.08755	7.0
283.16263	0.3
296.44937	0.4
355.11188	1.1
369.09689	1.8
387.14307	3.8
387.20065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36501	1.0
56.06468	0.9
56.87234	0.9
59.01374	1.4
59.12053	1.0
65.00328	2.1
69.03466	5.6
70.55796	2.5
74.98925	1.0
79.95736	1.7
80.51529	1.2
83.01388	1.7
93.03460	5.4
95.01401	2.1
97.06635	1.6
111.04549	1.4
115.04018	5.1
117.03432	1.9
119.05042	100.0
120.05361	4.7
121.02966	7.5
123.04534	19.1
135.04443	1.7
136.98854	1.9
137.02504	1.2
137.06078	3.9
139.03978	6.6
143.05011	2.6
145.02986	7.6
147.04549	20.3
151.04039	9.2
159.75896	1.3
161.06126	3.5
163.04050	4.8
163.07655	1.7
165.05562	7.5
170.11183	1.2
176.01212	2.0
179.07143	1.5
180.66423	1.1
185.06068	2.4
187.04048	4.1
189.05544	2.3
191.03526	39.9
191.07127	3.4
192.03848	1.8
198.00978	0.9
203.07193	1.6
207.06630	3.6
209.08180	3.3
219.50377	1.2
230.05872	2.0
231.10297	2.1
233.08192	1.8
235.06076	2.9
239.07124	3.2
257.04523	2.8
258.05316	3.4
259.09744	4.1
289.18356	1.3
293.08246	2.2
311.09320	17.5
311.12704	2.1
325.11057	1.2
327.12570	1.8
337.10767	1.6
355.11899	44.7
356.12302	5.9
387.14291	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	387.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47537	1.4
61.98833	1.8
66.01923	1.5
68.24893	1.6
69.03471	9.6
71.40968	1.5
93.03480	2.9
115.04012	8.2
117.03487	3.8
119.05040	100.0
120.05368	4.5
121.02955	3.8
129.05576	4.8
133.03018	2.6
135.04500	2.4
145.03009	2.5
145.06586	3.0
169.06699	2.1
171.08138	4.0
185.34760	1.5
195.08214	3.6
217.43027	1.7
239.07164	41.8
240.07556	3.4
293.08279	3.0
329.06732	2.1
337.10803	4.3
369.13617	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88908	0.7
57.03446	1.9
59.01385	100.0
59.24903	0.9
60.01717	2.0
62.26759	0.9
63.61766	0.9
63.97039	0.8
65.00330	10.8
68.99807	1.1
69.03474	1.1
69.34654	4.5
71.01387	19.0
73.02937	4.3
77.75439	0.9
81.03457	1.1
82.01216	0.8
83.01388	5.1
85.02946	6.7
87.00893	1.3
89.02453	18.6
89.66293	0.9
89.69247	0.9
93.03473	2.5
95.01357	2.0
95.05048	2.1
97.06611	1.1
100.17703	0.9
101.02462	14.1
107.01391	2.5
108.02187	1.8
109.02942	1.5
111.00892	3.1
113.02470	8.8
119.03664	7.0
119.05035	55.8
120.05401	2.9
121.06623	1.2
122.69775	0.9
123.04548	10.9
125.02420	2.6
130.06303	0.8
133.02975	2.2
135.04520	3.0
136.98830	23.3
139.04054	1.6
143.05022	4.2
145.02954	2.4
147.04555	1.8
149.02460	1.1
149.06033	1.3
151.00395	3.3
151.04018	1.0
152.01157	2.2
153.01984	9.1
161.04585	1.2
161.06073	1.8
163.03986	1.8
163.07652	1.8
163.11305	16.1
164.11548	1.3
165.05466	0.9
167.03506	13.0
167.07224	1.2
179.05588	1.5
179.07298	1.0
187.04007	10.1
189.05579	3.0
191.07126	1.3
193.89191	1.1
205.08682	1.5
207.06604	1.2
207.10283	4.1
219.06619	1.1
233.08264	1.9
234.08455	0.9
235.05956	2.2
251.09251	11.7
251.95453	0.9
252.09738	1.8
257.04584	8.7
262.68335	1.1
309.11487	1.8
337.10818	3.3
350.80933	1.2
355.07712	1.6
355.11871	23.3
356.12192	3.7
369.09744	2.0
370.54480	1.0
387.17169	59.6
388.16663	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	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03449	1.2
58.00596	0.7
59.01386	100.0
60.01736	1.2
65.00325	0.7
70.04684	0.6
71.01390	34.6
71.41384	0.5
72.01743	0.7
72.99323	1.6
73.02963	2.9
79.95751	0.5
80.96507	0.8
81.03458	3.6
82.03020	0.8
83.01406	2.8
85.02966	7.6
87.00892	1.5
87.04527	0.7
89.02454	37.1
90.02731	0.5
95.00829	0.7
95.01382	3.1
97.04237	0.5
99.00848	0.6
99.04556	0.5
99.41695	0.5
99.91161	0.7
101.02457	20.6
101.03112	1.0
107.05051	0.7
109.02960	0.8
110.02495	1.4
110.06135	1.0
111.00911	0.6
111.04591	0.6
113.02463	14.8
114.82217	0.6
115.32966	0.5
119.03521	14.7
119.04339	0.9
119.05003	0.7
119.38042	0.5
121.02995	0.7
121.06659	0.6
123.04562	0.7
125.02455	0.9
131.03523	1.6
137.02451	1.6
137.06100	0.9
143.03529	1.7
145.06638	2.2
149.04602	1.0
151.08757	0.7
152.03595	1.7
153.06749	2.0
159.03024	0.6
161.02484	0.6
161.04594	3.8
163.11319	4.0
175.08839	0.6
178.05116	1.1
179.05580	2.5
187.07649	1.0
189.05566	0.8
192.06683	0.6
193.09854	2.9
195.07727	0.7
197.04524	0.6
207.10289	9.5
208.10573	0.6
225.14948	1.3
231.06679	0.7
237.08797	3.8
241.05247	1.1
243.06807	0.8
255.06609	0.7
261.53555	0.6
299.13968	2.3
307.02243	1.6
313.29236	0.5
325.12213	1.1
343.12949	1.7
387.12811	3.2
387.16666	68.6
388.13184	0.5
388.17059	8.5
388.21558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03442	1.8
58.02975	2.5
59.01387	100.0
60.01716	2.0
64.91479	1.0
65.00327	1.7
69.03439	1.2
69.21588	5.9
71.01389	26.2
72.99288	1.4
73.02957	4.3
74.02486	8.3
81.03462	1.2
82.02995	4.0
83.01383	7.6
85.02943	8.6
87.00912	1.5
89.02459	18.3
93.03469	22.7
95.01401	3.1
96.00935	1.1
96.04564	1.7
97.02956	1.3
97.06610	1.5
99.00873	1.4
101.02446	16.2
104.03500	1.3
105.05611	1.4
109.02946	4.0
109.04089	1.8
111.00888	3.5
112.04035	1.4
113.02467	11.0
115.04012	2.2
117.03446	1.7
119.03526	7.5
119.05047	3.6
121.02991	1.4
123.00910	1.7
123.04536	8.1
124.07692	2.2
125.03594	2.1
126.04366	1.8
127.05154	5.8
128.03569	8.5
129.10353	4.6
130.08743	1.7
133.02951	4.1
133.06967	6.3
135.04562	1.7
135.05615	2.0
136.01682	1.6
136.98830	2.2
137.02455	41.8
138.02856	1.2
139.03996	2.7
143.04686	1.0
143.11932	1.8
147.04552	1.5
147.08182	1.6
149.06123	1.6
151.04004	4.4
153.01959	13.6
155.12068	1.1
161.04562	2.5
163.04074	1.2
163.07661	2.1
163.11298	41.3
164.11633	2.8
165.05605	4.8
167.04665	1.7
167.08304	9.8
170.03313	4.5
171.04144	3.6
175.03995	9.1
177.01953	8.0
177.09184	1.7
179.04730	5.2
187.32809	1.1
189.09259	1.8
191.07150	2.3
192.04242	1.2
192.07784	1.8
197.13052	1.3
199.04079	5.9
201.01961	6.5
205.08749	3.2
207.06697	3.2
209.03262	2.9
209.08215	8.6
210.08897	8.8
225.07625	2.7
233.08121	5.6
241.11906	2.1
243.02902	1.7
251.09268	24.6
252.09605	1.6
254.07837	27.5
254.10455	1.7
271.02429	2.8
341.10223	1.3
351.08557	1.7
351.92249	1.2
357.21497	3.4
369.05420	2.0
369.09796	24.5
369.14508	1.3
370.09964	3.0
370.16620	1.1
387.12668	22.3
387.16641	97.4
387.22324	4.3
388.17371	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	387.1816
Annotation	Maoecrystal B
Peak:m/z	Relative Intensity
59.01380	5.0
65.00317	1.3
69.29504	3.4
70.96381	0.8
119.05046	1.1
121.38487	0.8
136.00432	1.8
144.81328	0.7
238.06146	0.9
239.03458	1.6
240.11606	2.5
253.08766	1.4
255.13940	1.2
267.02975	2.5
267.10263	30.6
268.03619	1.9
268.06232	4.5
268.11008	21.2
269.11349	1.5
279.83002	0.7
283.13367	6.1
284.13965	1.4
293.11813	1.5
294.12515	2.6
297.11505	1.3
299.16635	1.5
309.14850	1.6
311.12897	6.4
312.13708	38.6
313.14008	4.8
327.16031	69.7
328.16318	8.0
343.09857	1.0
345.17133	11.7
346.17706	1.2
387.18155	100.0
388.12015	2.2
388.18411	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	387.1817
Annotation	Henricine B
Peak:m/z	Relative Intensity
59.01384	29.3
61.98811	0.7
69.34047	3.1
81.03464	0.9
98.22803	0.6
103.72855	0.7
108.02181	1.0
119.05029	2.6
121.06561	1.4
122.03755	1.8
123.00869	1.0
133.06609	0.9
135.04555	1.2
137.06097	1.3
139.07681	2.1
148.89351	0.7
149.02405	2.9
150.03261	3.2
153.05481	0.9
161.06039	0.9
162.03128	1.0
163.04028	2.0
164.04782	1.5
165.05547	4.1
177.02042	0.8
191.03511	1.3
205.05142	1.7
206.05801	1.1
224.50085	0.8
243.06659	1.3
244.07246	1.0
245.08217	1.1
269.08221	1.7
271.09604	1.3
271.17010	0.9
281.15506	2.0
283.13446	7.3
283.17084	3.1
284.13968	1.0
286.11981	0.9
294.12604	1.3
297.11404	1.7
299.16562	11.9
300.16788	1.4
309.14935	1.5
311.12927	1.5
312.13657	2.0
327.16034	58.3
328.16507	5.9
343.15390	4.4
346.13889	1.0
358.17853	2.5
359.18634	17.3
360.19016	2.0
387.18134	100.0
388.18512	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	387.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99906	1.2
56.82626	1.0
59.01379	1.3
60.46951	1.0
65.89650	1.1
70.98539	1.2
71.40774	1.3
75.00882	19.5
77.15086	1.0
78.95909	2.7
97.06588	1.2
99.08171	7.6
119.05048	4.3
125.09719	2.6
127.11298	3.1
133.02995	1.3
135.04654	1.1
137.30072	1.2
139.11342	1.6
151.97949	1.1
165.12895	6.4
167.10814	1.6
167.14494	1.6
171.10258	7.5
183.13910	7.5
183.23041	1.2
193.08463	3.4
193.12321	4.3
205.12125	1.5
209.11900	2.0
211.13417	44.0
212.13696	2.0
221.11700	2.3
225.14767	1.2
229.14461	26.0
230.14824	2.3
231.10092	3.7
233.11597	31.9
234.11971	3.0
238.77251	1.1
249.11165	5.7
251.12686	13.1
294.28528	1.2
302.85464	1.1
303.74728	1.5
329.23367	100.0
330.23672	11.6
351.21555	27.1
352.21973	3.2
387.19269	85.0
387.23972	8.1
388.19678	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	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	92.0
61.98829	89.6
71.17265	87.8
71.21695	90.8
76.14669	90.0
79.11826	83.0
103.96017	93.0
131.01199	87.2
131.04175	91.9
131.05241	88.8
164.98265	79.8
167.04980	95.0
174.23434	87.5
207.51817	85.8
247.33716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65082	23.4
69.38159	100.0
69.38567	55.7
70.34929	22.5
118.04366	24.3
136.99727	24.2
147.25471	24.5
160.58144	24.5
185.08932	26.4
252.49257	24.9
327.18036	28.1
338.58090	25.4
381.86526	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	387.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27460	2.8
55.01882	4.2
57.03449	9.3
68.86505	2.5
69.03463	7.3
69.08382	15.7
70.60900	3.4
71.05035	19.6
73.11077	2.5
79.95755	6.8
81.03467	89.4
83.05038	22.3
84.02158	17.1
88.99200	2.9
95.53385	2.7
96.96021	12.7
98.22723	5.5
99.04530	52.3
103.14679	2.8
104.37160	2.6
106.24390	2.7
108.59481	2.6
132.12680	2.7
133.06598	4.3
137.09859	3.5
149.09724	3.2
168.83934	2.6
182.50467	2.5
217.19487	3.3
219.17566	9.5
269.22656	4.4
287.23837	100.0
288.24179	12.9
301.07471	12.2
311.16849	6.1
339.26938	17.1
351.26831	9.0
369.27924	4.2
387.18536	33.1
387.29092	11.2
392.24448	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	388.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51899	1.3
59.01381	10.3
61.98835	100.0
69.58429	2.8
69.58812	2.7
80.14365	1.2
94.51905	1.2
98.21967	2.9
108.90704	1.5
133.06645	1.4
161.02412	1.4
164.07166	2.2
240.56793	1.4
303.74655	1.6
306.08078	1.7
347.94431	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.8
58.02978	8.3
59.01385	63.5
60.01711	7.7
61.01805	3.1
63.19560	1.7
67.01892	9.4
68.99838	5.1
69.26764	10.4
72.99313	40.2
74.99003	1.9
79.05541	7.3
81.03465	31.8
82.02984	20.3
83.01407	2.3
85.02955	4.7
87.20850	1.8
89.03970	2.5
89.68642	1.7
91.05530	4.0
93.03478	3.8
94.02953	2.8
94.40486	1.9
95.01382	3.3
95.05034	1.7
96.04564	2.2
98.02469	5.8
98.21889	3.4
100.04060	8.2
105.03500	2.9
107.05065	9.6
108.04550	2.5
109.02959	6.6
109.06587	4.3
110.02497	5.3
116.98283	2.0
117.03489	3.5
121.06625	12.1
122.06152	17.9
123.04533	6.3
124.04073	3.6
126.01990	6.5
128.03566	3.3
130.04254	2.3
131.05011	4.2
133.06598	14.6
134.02469	2.4
135.04546	13.9
136.05331	2.6
138.01962	8.0
143.04921	1.9
145.06602	7.0
147.04614	4.4
148.03973	2.9
149.04820	1.8
149.06110	4.2
150.05626	3.6
151.07628	8.3
152.07216	4.7
153.05678	1.8
156.03044	3.8
159.04533	5.7
161.02422	5.4
164.07170	44.3
165.07489	2.7
169.06610	4.8
172.05260	3.0
173.06102	4.8
174.05473	2.6
176.07188	14.4
177.05568	7.0
178.05089	4.7
185.09775	10.1
187.07658	8.4
194.08267	8.5
195.08250	2.5
196.06314	4.2
197.09785	5.3
202.05138	3.0
206.07442	1.8
209.09761	4.8
211.07722	4.5
215.07133	49.4
219.08046	3.3
220.06218	8.9
221.09798	6.3
223.07706	7.3
224.08336	3.2
227.10814	11.3
228.10376	5.4
237.09238	16.7
238.07278	3.4
239.07169	8.2
239.10851	11.9
240.07588	2.1
240.10434	6.2
243.06322	2.2
252.10277	2.1
265.08685	21.6
266.08472	2.7
267.06650	3.2
270.08505	2.4
270.11380	36.0
271.11780	2.9
280.09805	3.0
282.11331	18.4
290.08267	6.7
308.09314	14.1
314.10336	48.7
315.10626	5.8
326.10352	69.2
327.10654	5.7
327.24716	2.3
328.25043	3.0
344.11386	100.0
345.11774	14.6
370.09467	5.6
388.10403	73.4
389.10657	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	388.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00215	3.7
57.03453	9.4
58.02977	14.5
59.01384	44.4
60.01710	7.8
61.01788	4.6
67.01864	4.6
68.99793	3.8
69.54419	7.1
69.54807	8.8
71.01406	5.1
72.99316	49.8
79.05557	18.2
81.03457	73.7
82.03006	26.2
82.03814	3.4
83.01371	6.0
85.02959	5.9
93.03470	8.7
93.16085	3.6
95.01401	4.8
95.05003	4.3
96.00904	3.8
96.04550	4.9
97.82171	3.8
98.02484	7.5
98.21913	4.6
100.04047	6.8
107.05051	19.9
108.04553	8.3
109.02957	12.8
109.06593	7.3
110.02486	7.6
112.94537	3.7
117.03467	4.4
119.05016	5.7
121.06615	20.3
122.06150	34.2
123.04533	12.6
124.04062	4.4
126.01956	6.6
128.03557	6.2
128.48856	3.6
131.05011	4.7
133.06616	38.8
135.04555	25.0
136.04068	4.3
136.05272	9.7
138.01993	12.1
145.06590	15.9
147.04507	8.9
149.04897	5.2
149.06105	5.0
150.05658	5.5
151.03966	6.6
151.07625	15.0
152.07187	16.5
157.06644	5.0
159.04567	5.3
161.02397	6.3
163.03998	5.0
164.07181	82.5
165.07552	4.5
169.06535	7.1
172.05376	7.1
173.06046	5.1
174.03259	4.7
175.03996	9.6
176.07182	31.8
177.05598	13.4
178.05103	10.9
179.05899	5.1
185.06030	4.3
185.09766	18.4
187.07573	16.7
189.05592	5.0
190.06369	11.0
191.07082	9.8
194.08249	35.4
196.06178	6.6
197.09805	5.4
205.08711	9.4
208.07390	8.3
209.09735	6.1
211.07591	5.1
215.07152	58.6
220.06134	8.7
223.07600	6.0
227.10773	14.0
228.10237	8.3
235.03531	3.5
237.09253	9.5
238.07298	5.0
239.07199	10.0
239.10825	21.7
240.10551	4.1
243.06598	4.2
252.10199	3.7
262.08746	3.8
265.08667	14.4
270.11374	57.2
271.11856	4.1
282.11401	23.8
290.08289	5.5
300.12320	4.2
308.09283	13.8
314.10355	83.1
315.10641	5.3
326.10327	56.8
327.10547	6.6
327.24725	4.1
344.11423	100.0
345.11697	10.8
370.09341	4.2
388.10367	82.0
389.10916	10.9
389.16119	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	388.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	30.3
67.80594	5.2
69.27437	25.6
71.01366	5.2
72.99316	100.0
79.95760	35.4
81.03458	25.4
82.02990	20.2
82.48265	6.1
85.02942	7.6
91.05555	21.8
94.03054	6.0
96.96033	5.2
110.02524	4.3
112.04050	34.8
119.05034	7.0
121.06602	39.0
133.06589	51.6
134.06160	11.6
135.04515	10.1
136.04071	35.1
138.01981	11.5
145.06660	23.6
150.05620	8.9
156.03062	37.1
161.02470	20.3
163.00337	4.7
171.04588	6.2
176.07234	17.3
177.01938	5.3
178.05141	8.4
187.07578	10.6
189.48885	5.5
220.06061	6.8
227.07378	5.2
227.10730	7.6
236.97865	20.9
253.08636	7.3
259.40463	5.9
271.09793	8.8
282.11316	11.5
299.01996	9.2
314.04340	8.9
326.10471	11.3
388.10733	6.2
389.18289	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	388.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66088	2.8
59.01380	52.4
65.03972	15.6
71.01384	8.4
71.41277	3.9
75.00884	19.5
81.03474	8.0
82.02982	4.9
83.01405	4.9
84.04505	3.1
84.95121	3.5
91.07587	2.8
93.03461	75.5
95.01437	3.6
95.04996	4.3
98.02513	3.7
99.00893	3.3
107.05048	4.6
108.04562	5.4
109.02958	22.1
110.02508	9.9
110.25672	3.0
118.03004	8.8
119.01366	7.1
119.05038	7.6
120.04550	10.1
121.02971	52.9
122.02474	3.8
124.01704	4.5
124.04056	16.5
133.02930	4.6
135.04521	10.8
136.04057	12.6
137.02469	19.1
138.03209	9.6
139.00380	5.6
139.04027	5.0
146.02475	7.1
147.00952	5.3
151.04012	11.4
152.03548	33.3
153.05592	76.4
154.05930	4.0
161.02400	4.5
161.06149	3.1
162.01973	12.5
162.05638	11.2
163.00391	4.2
163.04027	8.8
164.03497	31.5
165.01936	66.1
165.05563	20.2
166.02516	4.3
168.02998	5.1
172.06207	4.9
176.69196	3.2
178.05142	7.4
179.03523	34.7
180.03029	5.8
182.04547	20.7
190.01501	6.9
192.03171	4.0
196.06163	14.7
197.04555	5.1
206.04617	20.1
207.56932	3.1
208.02524	59.3
222.04112	18.1
224.05666	21.8
225.09227	12.7
240.05138	100.0
241.05408	5.9
250.03584	7.7
268.09772	7.5
269.04642	5.4
282.06302	15.6
370.09421	13.8
388.10562	18.7
389.11771	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	388.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.7
65.00327	3.2
65.03946	7.4
66.03489	20.3
70.02982	38.0
70.47095	8.5
81.03468	36.0
84.04552	7.2
93.03477	8.0
94.02978	6.8
96.00942	4.1
107.05050	20.5
108.04566	73.6
109.02946	13.4
110.02489	32.5
114.01978	45.9
119.05045	9.2
120.04552	10.0
121.02965	4.6
132.09381	2.9
135.04555	3.8
142.28511	3.1
145.06613	65.5
146.02513	3.6
146.06961	7.2
150.05605	50.0
150.64038	3.0
153.35373	2.9
162.05634	9.7
171.04526	10.9
171.08150	17.8
172.05293	8.5
173.06023	4.6
187.07668	64.6
194.04630	3.5
213.09233	39.6
214.09676	5.0
223.68869	3.9
224.89857	3.4
225.09183	8.5
226.08691	14.9
231.06660	6.4
256.09839	6.7
257.08221	7.3
268.06235	4.1
268.09766	4.3
300.08792	100.0
301.09158	6.0
312.08801	4.7
356.07919	16.5
370.09232	9.0
388.10437	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	388.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42681	1.2
58.02980	17.5
59.01374	4.4
60.55127	1.1
66.31506	1.3
70.63631	1.6
70.63969	2.7
71.01386	38.3
73.04077	3.7
74.02462	2.3
84.47133	1.3
87.84414	1.2
88.04048	45.3
89.04374	1.6
98.02487	4.3
98.47408	1.1
111.04385	2.9
114.01983	2.0
115.00383	59.4
115.05150	8.0
122.02509	2.7
128.03577	2.0
129.10365	14.7
130.08774	9.2
132.03038	30.2
135.04449	1.3
141.10332	2.3
143.11937	10.2
151.08786	4.6
152.07172	4.8
153.05469	10.9
155.08377	1.4
157.13475	4.4
166.08688	2.3
168.11443	58.1
169.09930	1.1
169.11748	3.5
175.49089	1.4
185.13040	1.8
186.12483	25.8
187.12845	1.4
201.12456	8.3
210.12492	99.0
211.10934	2.6
211.12830	6.0
214.15689	4.9
228.13544	84.4
229.11922	25.0
229.13921	3.5
230.12236	2.1
272.16208	16.8
273.14523	17.2
273.16785	1.3
300.12476	2.4
300.15695	25.1
301.16006	2.6
326.13675	1.9
344.14633	12.1
358.21729	2.2
370.16232	4.8
388.17294	100.0
388.22192	3.3
389.13278	1.3
389.17575	8.1
389.22278	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93451	3.8
61.98835	100.0
67.89313	3.7
69.34741	18.1
114.51709	3.7
119.05042	9.2
135.04555	7.6
167.71947	3.6
272.01035	3.8
351.72852	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	388.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14974	1.5
58.02981	10.0
59.01384	100.0
61.98827	2.3
69.78191	4.9
69.78551	3.0
70.72884	1.5
71.30908	1.5
72.73247	1.5
75.46883	1.3
89.02443	1.8
93.03519	1.8
100.04057	7.4
111.00861	2.6
115.00404	1.9
116.07200	7.6
119.05044	4.8
121.06724	1.9
124.04071	2.0
126.02046	2.1
135.04477	2.2
137.02364	1.5
152.46957	1.5
161.02385	2.2
167.03488	2.6
168.10245	2.3
178.04922	1.6
205.04980	2.1
211.62045	1.5
227.21129	2.0
237.31056	1.6
253.77261	1.6
256.20258	8.6
260.41763	1.7
287.75528	1.7
310.24976	4.8
328.26065	8.1
370.09213	4.4
388.09619	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	389.0882
Annotation	5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
57.03451	6.2
58.02296	1.0
59.01384	13.0
61.52509	1.3
65.77327	1.3
67.01897	1.3
69.03471	1.8
71.01392	2.2
72.99314	100.0
73.99641	1.7
79.05533	4.0
81.03471	7.9
82.02998	1.7
83.01382	2.8
83.05035	2.9
85.02952	2.3
93.03468	1.3
95.01408	1.3
95.05038	2.6
99.00873	1.4
101.02435	2.4
107.05025	4.2
109.02921	2.2
109.06595	3.5
110.02445	1.6
113.02442	4.0
116.98316	1.3
117.03467	2.5
117.07111	1.6
119.05016	2.4
121.06593	14.3
122.06924	1.9
131.04915	1.9
133.06606	4.7
135.00893	1.2
135.04546	5.4
136.05365	1.5
136.98807	1.3
138.01982	1.8
145.06622	3.1
147.04465	1.4
149.06099	1.8
151.07716	8.2
153.05582	1.8
156.03069	1.5
156.05797	1.8
160.08533	1.7
164.98366	1.5
169.06569	2.2
172.05309	7.2
183.08176	2.1
185.09750	6.2
187.07655	16.5
190.06351	1.2
191.07181	1.3
193.05127	1.4
197.09631	2.9
198.06819	1.5
199.07646	3.6
209.09756	2.9
211.07735	1.5
212.08458	5.1
215.07204	6.1
216.07477	6.8
221.09645	2.4
227.10800	60.7
228.11150	5.9
239.07202	9.2
239.10797	8.9
240.07492	1.6
240.11064	1.5
241.08681	2.0
257.11792	1.5
265.08676	5.3
269.04623	1.8
271.09616	8.9
283.09760	3.4
301.10837	3.1
327.10620	4.7
345.09332	7.8
359.14938	2.5
368.01328	1.4
389.08655	6.6
389.16357	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	389.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78827	2.7
61.96060	3.0
65.00333	3.1
68.84353	2.8
68.99828	8.1
70.47289	2.9
77.50824	2.9
82.11721	2.6
87.96088	2.6
90.66237	2.8
91.01907	9.2
93.03479	4.3
95.01416	10.6
96.15477	2.7
96.96045	3.7
97.02974	2.5
101.03922	2.8
115.05541	8.8
116.05080	3.6
117.03468	3.7
123.00874	20.5
129.08548	3.2
131.05037	3.4
131.21437	2.8
135.00853	4.6
135.49609	3.1
136.98819	2.8
139.05530	3.6
141.07095	23.8
143.05084	6.3
143.97057	2.6
145.06668	3.1
148.80759	3.2
151.05550	10.1
157.06572	15.7
164.98296	6.5
165.07123	3.6
167.05049	6.0
169.06612	11.2
171.04556	4.7
173.06030	4.7
179.05025	10.8
181.06604	2.9
181.32497	2.7
183.08195	15.8
185.06097	64.4
186.06526	5.4
186.28151	3.0
193.06398	3.6
195.04584	15.5
195.07996	3.1
196.05255	3.2
197.06114	19.0
209.06088	8.5
211.07695	5.7
223.04033	11.1
227.07175	99.2
228.07478	7.1
239.03400	4.2
239.07170	45.8
241.05095	6.9
247.11356	3.1
249.05835	3.4
250.06331	19.6
258.10629	3.3
259.11282	6.0
269.04541	10.8
269.10208	3.3
271.11288	7.0
273.12793	19.5
281.09827	3.4
283.11401	6.2
285.09259	5.1
286.09888	8.8
289.12344	33.6
290.12692	5.6
299.10846	15.7
301.12354	12.3
313.55698	2.9
317.11615	4.0
327.10257	50.5
328.10712	7.3
343.09796	4.3
345.11328	100.0
346.11584	14.3
361.14279	3.3
389.10416	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1457
Annotation	Reptoside
Peak:m/z	Relative Intensity
51.00211	1.4
53.37417	1.3
54.18792	1.3
55.01874	3.7
57.03450	2.9
59.01385	45.9
61.98824	3.3
71.01390	43.0
72.01675	1.6
72.99325	2.5
73.02950	16.2
83.01398	6.6
85.02959	24.1
87.00887	4.5
89.02455	18.5
95.01405	5.0
99.00893	3.7
99.02294	2.0
101.02454	40.2
109.02966	5.5
111.00891	3.1
113.02462	21.7
114.05598	2.9
119.03488	7.9
119.05015	3.4
121.41483	1.7
127.00352	2.9
128.03479	1.6
129.01939	1.8
131.03476	4.3
134.03773	1.6
135.04523	2.0
136.82385	1.5
137.01447	3.2
137.02461	50.8
138.03165	4.7
152.04799	28.5
153.05589	3.4
159.03003	2.8
161.04562	10.3
167.07143	5.6
179.03555	7.5
184.03766	2.2
193.05185	3.0
194.05847	4.2
197.04539	2.9
199.07195	1.8
209.08208	8.5
212.06924	31.2
213.07285	2.4
220.46152	1.6
221.06670	2.6
222.98959	1.9
227.09264	100.0
228.09610	6.1
371.04099	2.9
380.93848	1.8
389.14545	60.4
390.14838	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	389.1822
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01882	1.3
57.03458	7.5
59.01386	18.9
65.75156	0.9
67.01885	0.8
68.99813	1.1
69.26102	4.5
71.01388	30.1
72.99310	9.2
73.02964	1.3
75.00881	44.1
83.01389	1.0
84.02177	0.9
85.02959	35.1
85.03477	1.8
86.02125	0.9
87.00890	11.7
89.02444	3.6
95.01395	3.2
99.00885	5.1
102.82990	0.9
103.00374	2.0
111.00892	2.5
113.02463	28.1
114.02792	1.2
115.00396	2.0
116.86075	0.9
117.01973	2.0
119.05041	1.2
129.01936	1.9
135.04573	2.5
139.00333	1.4
143.40054	0.9
157.01427	2.7
175.02502	6.4
183.13956	3.0
195.13927	6.9
196.45706	0.9
213.14977	23.7
214.15327	2.0
227.12891	1.0
327.18222	1.6
371.17233	3.2
376.20474	1.2
388.31927	1.0
389.18213	100.0
390.18628	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	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
59.01385	79.5
61.69033	1.2
62.09436	1.3
64.33838	1.4
65.00349	2.2
69.03448	2.1
71.01390	32.4
73.02956	40.7
83.01379	9.0
85.02964	9.8
87.00898	3.7
89.02461	14.7
95.01400	2.2
101.02455	27.3
109.02986	3.3
111.00842	1.5
113.02457	9.6
117.03474	2.5
119.03528	3.8
119.05045	5.8
125.02435	2.2
129.66222	1.6
130.08771	5.8
133.02965	3.1
135.04541	94.8
136.04884	4.9
136.98802	4.8
151.03996	2.0
153.01932	2.5
161.04677	1.8
167.10789	18.1
173.86218	1.3
174.03203	2.8
175.04155	2.9
185.11830	11.0
187.04044	2.1
203.03540	2.3
214.02719	4.6
218.56311	1.6
235.06166	2.3
257.04562	7.4
275.70728	1.7
289.07349	2.9
301.10922	4.2
329.16061	20.9
330.16379	1.6
347.17142	45.0
348.17493	4.4
371.11279	19.0
384.28052	1.6
389.12677	5.4
389.18219	100.0
390.18518	10.8
390.23956	5.3
391.42633	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	389.1974
Annotation	Oreskaurin B
Peak:m/z	Relative Intensity
57.03455	2.2
59.01385	25.9
65.03966	4.3
68.99815	1.3
69.03467	0.5
69.39504	2.2
73.02950	1.4
79.95741	1.8
80.02684	0.7
81.03458	9.1
83.05032	1.0
85.02955	4.9
93.03484	1.0
96.96024	6.4
97.02966	0.7
97.06591	1.1
98.95600	0.9
106.04265	1.3
107.05040	3.2
108.02184	17.1
109.02961	100.0
110.03290	2.7
119.05059	1.3
119.08702	0.5
121.02971	1.2
121.06644	1.1
125.06049	0.7
125.09723	0.5
131.05174	0.5
133.06644	1.3
135.04532	10.6
135.08165	0.5
136.04907	0.5
137.02472	1.3
137.53885	0.4
139.04008	0.5
148.05255	0.5
149.06107	0.6
150.03317	0.5
151.00600	0.5
151.19234	0.4
161.06123	2.8
163.07590	0.4
165.57584	0.4
173.09691	0.5
176.98436	0.4
177.05583	6.2
178.06364	7.1
178.95392	0.4
181.22057	0.4
191.07187	0.8
194.17848	0.5
199.14917	0.7
200.08492	0.9
201.12843	0.8
207.10043	0.7
215.10809	1.6
215.14412	1.6
225.12970	1.0
227.14449	2.5
228.11542	0.6
229.15999	1.9
235.13493	0.6
237.09329	0.5
238.10133	0.7
239.10831	2.2
243.13919	24.2
244.14235	2.3
253.12271	0.8
257.11667	0.7
270.70615	0.4
271.13397	4.4
273.14960	4.5
274.15417	0.6
287.16550	0.5
307.19254	0.6
311.16562	7.2
315.16071	0.6
317.17719	0.5
329.17621	10.6
330.17947	1.2
347.18637	3.8
373.95911	0.6
389.19833	29.6
390.20215	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	389.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
59.01383	100.0
60.01720	1.1
65.03958	0.9
68.99819	0.8
69.03458	0.5
69.39617	0.7
69.40018	1.1
71.01385	0.6
71.05029	0.5
72.28675	0.3
73.02949	3.7
80.02692	0.4
81.03452	2.3
83.01355	0.3
83.05027	0.5
85.02956	7.2
86.03279	0.3
87.04532	1.7
91.67628	0.3
93.03492	0.5
97.02972	1.1
97.06615	1.6
98.22591	0.8
99.00879	0.5
99.04549	0.3
100.01706	0.4
101.02434	0.3
107.05042	1.3
108.02183	34.6
109.02978	18.9
110.03324	0.5
113.02361	0.3
115.04021	1.4
119.05043	0.6
119.08681	1.3
121.02959	0.4
121.06609	1.0
125.02457	1.4
133.06604	0.6
135.04544	4.3
135.08185	0.4
136.05261	0.9
137.02492	0.3
137.06071	0.6
139.04051	1.6
145.10242	0.4
148.05292	0.4
149.06108	0.9
150.03239	0.5
159.11723	0.4
161.06111	0.9
161.09752	0.6
162.03099	0.4
162.06870	0.7
163.04073	0.6
163.07669	4.3
164.04794	0.6
173.09698	0.3
177.05582	1.6
178.06360	17.9
179.06920	0.9
187.11288	0.4
191.10770	0.4
201.12927	0.5
203.14383	1.7
205.08748	0.5
213.09225	0.9
215.10779	1.3
215.14397	0.8
225.13039	0.4
227.14455	2.0
229.15923	1.9
238.09998	0.7
239.10843	0.6
241.12270	0.4
243.13930	11.2
244.14227	1.0
253.12393	2.6
254.12874	0.6
255.13945	2.3
256.11414	0.3
257.15536	1.1
259.87177	0.3
267.17422	0.3
269.15387	0.4
271.13443	3.8
272.13815	0.4
273.14978	7.3
274.15137	0.5
281.11926	1.1
283.17337	0.4
285.18625	0.4
287.16522	0.6
293.15665	0.5
295.13379	0.7
296.14099	0.6
303.19559	0.8
311.12930	0.4
311.16556	14.0
312.16852	1.7
315.16000	1.8
329.17609	25.2
330.17889	2.7
347.18582	2.7
371.18610	0.4
389.19711	83.7
390.20023	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	389.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77842	0.4
58.10906	0.4
59.01388	2.3
106.61887	0.4
120.86396	0.3
164.26688	0.4
178.95018	0.4
195.91539	0.3
201.05551	0.7
202.06377	4.1
228.07977	0.4
246.09064	0.8
253.12521	0.6
255.10255	0.8
257.15524	0.8
269.11859	1.4
270.12616	1.0
271.13013	0.4
285.14981	27.1
286.15372	2.9
299.12881	1.0
311.16608	6.4
312.16827	0.5
314.15161	0.7
327.16010	1.4
329.17599	49.6
330.17923	6.0
345.16986	1.3
371.18655	0.8
389.19724	100.0
390.20065	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	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14204	9.6
86.44025	11.0
104.12347	11.9
108.98023	10.1
131.29584	9.7
142.14369	10.6
173.59738	12.7
248.53456	11.0
303.47452	10.9
325.18082	16.2
336.72955	13.2
351.78607	10.3
389.30722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29975	31.7
53.98845	28.7
54.61682	31.1
66.82723	32.1
70.91714	43.2
96.96043	60.2
110.43789	32.7
125.08513	32.9
131.63872	30.6
175.16547	31.7
176.96831	33.1
221.18086	39.9
269.04489	100.0
284.40121	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73449	0.8
53.87628	0.7
64.72193	0.7
65.00327	1.2
70.27872	1.6
83.63345	0.8
88.01939	0.7
96.96019	0.8
97.41418	0.6
98.21999	0.9
100.21896	0.8
106.03066	0.8
114.03503	3.3
118.02995	2.3
130.02982	1.2
134.02493	1.2
136.00404	3.0
142.03001	5.1
143.05098	0.9
146.02498	2.6
158.02509	3.0
160.00430	2.6
162.01956	6.3
167.90323	0.8
170.02487	2.3
171.03229	1.1
174.01952	3.1
186.01968	21.4
190.01456	3.3
198.02005	1.0
202.01486	4.4
214.01463	5.9
214.99838	0.9
218.00995	4.2
230.00980	9.5
231.01659	1.0
242.00926	1.9
243.01665	0.9
258.00452	7.6
259.01056	1.6
260.07281	1.2
264.06665	1.8
265.14713	0.7
266.08475	0.9
270.04816	1.0
271.01157	0.8
285.99951	50.5
287.00266	4.1
290.08115	1.0
292.06259	3.0
294.07831	1.6
299.00797	1.3
311.16534	0.9
312.01483	1.5
315.73895	0.8
318.07489	1.8
320.05725	0.8
322.06882	1.0
348.05301	4.5
362.06772	12.6
363.06949	2.0
375.04129	1.1
390.06232	100.0
391.06528	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	390.068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35735	12.9
54.36400	10.0
59.01377	44.6
61.98833	100.0
69.40221	47.9
71.01383	25.6
73.02971	14.2
75.00910	13.7
77.76019	11.7
85.02938	25.9
95.01413	15.9
98.21912	23.4
99.00813	13.3
99.92523	12.4
113.02472	60.4
114.97684	10.5
115.60360	9.8
135.04533	13.9
136.01677	78.9
151.04016	80.6
161.02446	25.0
175.02457	31.4
204.35649	12.3
327.07294	30.0
410.06213	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	390.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.3
62.69621	6.5
69.48133	21.1
96.96020	17.5
98.22575	12.4
101.76194	7.1
102.81203	5.8
119.05000	6.8
130.08763	100.0
131.14043	7.9
150.83995	7.0
218.09052	7.1
224.16182	6.5
322.20294	54.4
332.94556	7.6
391.17728	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	390.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.6
61.98837	100.0
67.66243	3.9
70.06856	6.3
70.07172	4.6
74.75281	3.2
96.96015	3.6
101.08601	3.6
119.13742	4.8
123.84267	3.7
166.53299	3.7
390.29358	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	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13019	3.8
59.01393	5.3
61.98839	100.0
78.95914	5.8
109.39221	3.7
133.03024	6.6
135.04596	5.1
143.98003	13.3
310.07947	6.7
391.12573	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	390.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97718	1.3
61.77420	1.7
61.98837	100.0
67.90144	1.4
70.62631	2.5
79.95798	1.6
96.96009	3.5
116.92658	1.4
135.04564	2.6
143.42307	1.9
189.12521	1.6
195.93138	1.5
201.02231	1.7
293.17642	1.8
315.33154	2.2
328.66550	2.1
391.17947	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	391.031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24752	2.8
57.03463	3.6
59.01389	54.0
60.99296	6.5
71.01395	11.3
73.02952	11.1
83.01395	4.6
85.02945	6.6
88.98817	51.5
89.02467	5.3
94.13852	3.0
101.02435	7.0
113.02499	4.7
117.03463	11.8
126.99496	3.7
133.03009	8.3
135.04561	5.5
137.02448	5.0
165.01964	4.3
227.00902	2.9
272.20776	3.1
301.03604	100.0
302.03723	8.7
303.16162	3.7
331.17786	3.3
349.18719	3.9
373.12845	5.3
390.18622	8.9
391.13986	52.3
391.19150	11.5
392.14365	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	391.1193
Annotation	Nigrolineaxanthone I
Peak:m/z	Relative Intensity
59.01390	1.5
71.41506	1.9
78.01107	5.0
83.01390	2.4
92.15994	1.4
95.01450	1.5
96.96026	14.9
110.00140	2.0
123.00854	2.0
137.99631	2.0
141.07153	1.7
143.05072	4.0
149.34540	1.3
149.99652	3.0
153.07234	1.8
165.99083	2.9
167.05032	9.2
168.00682	6.6
169.06670	4.7
171.04468	1.9
173.06117	2.2
174.43689	1.9
177.99149	1.5
181.01448	2.9
181.06635	2.2
182.03992	1.3
187.04065	1.6
194.99466	1.5
196.00137	9.3
197.06099	2.3
198.06888	2.5
201.05646	2.2
212.04756	1.6
213.05510	2.7
225.05582	5.4
226.06361	14.3
227.06766	1.6
239.03450	8.7
241.05060	15.6
243.06746	2.1
253.05078	1.7
254.05832	16.2
254.08232	1.9
255.06612	2.9
269.04611	10.3
271.06314	3.9
271.10904	2.9
280.06274	1.6
282.05405	5.8
285.03961	1.9
299.05682	5.4
300.06223	2.3
303.10403	2.2
327.09964	1.6
335.07016	3.2
345.11343	23.8
346.11633	1.8
355.09763	1.9
373.10834	23.5
391.11987	100.0
391.18277	7.5
392.12268	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	391.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99112	1.3
59.01369	1.7
59.19692	1.2
78.01098	6.7
83.01392	4.1
91.05582	1.4
95.01432	1.5
97.41988	1.2
98.21864	2.3
101.53494	1.4
110.00102	2.3
115.05487	1.3
117.03507	4.1
123.00912	2.5
127.05540	1.6
127.78175	1.3
136.98795	1.8
137.99626	1.5
140.01204	1.6
141.03557	1.7
141.07137	2.7
143.05072	5.9
149.99626	3.6
153.02022	1.5
158.03792	3.5
165.99207	1.9
167.05016	8.6
168.00690	8.4
169.06647	6.0
171.04503	2.4
174.03288	1.8
177.99176	1.5
181.01563	3.7
181.06654	2.4
187.04022	13.9
188.04430	1.4
196.00131	9.5
197.06082	1.8
201.05620	3.0
212.04895	2.2
213.05600	6.5
225.05637	4.7
226.06332	13.0
239.03508	6.8
241.05112	17.3
243.06769	2.2
253.05354	1.5
254.05859	18.3
255.06244	1.6
257.04620	1.4
269.04547	8.9
271.06308	3.7
282.05344	6.4
285.04099	15.8
299.05765	4.2
300.06467	2.3
303.10098	2.1
327.10275	2.4
345.11334	29.2
346.11722	2.4
355.09924	2.2
362.31335	1.8
373.06982	2.8
373.10907	21.7
374.11447	3.4
391.08231	8.3
391.12091	100.0
392.08310	2.4
392.12457	13.0
409.70221	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	391.1405
Annotation	(-)-Vermiculine
Peak:m/z	Relative Intensity
53.85302	0.8
57.03449	1.0
59.01387	15.2
61.98846	1.2
62.96420	0.8
65.26134	0.8
67.01875	1.0
69.37843	3.9
71.01389	3.7
73.02957	3.9
78.95927	1.2
85.02958	9.9
85.20776	0.8
88.98820	4.3
89.02473	2.8
94.61704	1.0
101.02454	2.7
106.62910	0.8
111.00895	14.1
113.02472	1.4
114.93481	1.0
117.03497	1.1
119.05093	1.8
124.01656	1.9
125.00092	6.2
126.91827	1.3
130.08755	1.5
133.02972	1.9
135.04530	2.5
137.06114	1.0
142.63533	0.9
161.02377	0.8
161.04520	0.9
164.07205	0.8
175.11278	1.2
180.34785	0.9
189.12903	4.5
202.10060	1.3
205.12350	18.1
205.14246	1.1
206.12717	1.4
208.91801	2.1
215.14488	1.6
217.12361	61.7
218.12708	4.9
229.14461	0.8
231.13768	1.0
234.52950	1.0
241.16052	2.1
243.13895	2.3
244.14511	1.1
249.11368	27.1
250.11638	2.6
259.17038	15.9
285.14923	3.2
287.12900	5.6
288.13409	0.9
296.93259	1.9
301.03625	9.7
302.03845	1.0
302.89841	1.3
303.16052	100.0
304.16400	10.1
329.14124	6.9
347.15045	73.4
348.15329	7.7
373.13068	8.5
374.13138	1.1
391.14011	39.7
391.19550	8.2
391.23526	1.7
391.27451	2.2
392.14569	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	23.2
67.24884	2.0
70.46909	1.8
75.00880	33.1
83.05055	2.2
93.03472	3.5
95.05042	10.1
97.93190	2.4
111.74522	2.0
119.05133	2.1
121.10236	27.7
135.08305	2.7
149.09737	3.6
158.99770	2.9
164.61996	2.2
171.10272	43.0
174.99254	9.2
175.34085	2.2
226.01665	2.6
231.21132	3.2
265.04001	6.1
269.07083	18.4
270.00449	3.0
275.20169	63.0
276.20590	8.3
279.05646	4.2
279.08850	2.2
283.08582	2.7
293.18530	1.8
293.21252	46.5
294.21451	4.8
299.30316	2.2
319.50360	2.1
322.10898	2.8
345.13852	2.5
354.09988	7.3
391.18030	100.0
392.18246	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	391.1977
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01881	0.6
56.62918	0.4
57.03443	0.6
59.01386	100.0
60.01724	1.3
69.58860	1.3
71.01388	17.0
72.99297	0.5
73.02959	0.8
78.68470	0.4
83.01414	1.5
85.02960	3.6
87.00940	0.5
89.02456	16.4
90.02793	0.4
95.01405	1.2
98.22657	0.8
99.00933	0.5
101.02463	10.7
113.02462	5.7
119.03514	5.9
143.03540	0.8
149.04597	0.5
161.04593	0.7
179.05603	1.1
211.13460	1.5
228.69482	0.4
239.55724	0.5
373.18652	7.1
374.18997	0.5
391.19766	83.6
392.20126	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61919	1.3
59.01386	100.0
61.98837	4.1
64.59897	1.3
69.61105	5.5
69.96474	1.4
78.95915	6.2
99.54494	1.3
108.43507	1.5
179.74733	1.6
366.15479	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	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64627	0.5
59.01385	6.7
69.03461	5.6
71.40656	0.6
75.83025	0.5
79.95789	0.7
83.05040	1.1
86.67260	0.5
86.75357	0.5
92.92409	0.5
93.11298	0.6
96.96018	1.9
99.92574	2.6
100.93356	0.6
107.08669	1.9
108.05806	1.7
118.53046	0.5
119.08683	6.7
121.06662	0.6
125.09743	4.1
125.20638	0.5
127.11302	1.3
135.08156	2.9
137.09749	33.0
138.10100	2.7
153.32126	0.6
165.08977	3.8
167.10512	0.7
171.10295	37.7
172.10576	1.9
174.38295	0.5
191.06921	1.1
193.08478	100.0
194.08823	4.8
199.49780	0.5
201.11336	6.2
207.09892	0.7
209.08125	0.7
209.10374	0.5
211.08244	0.6
223.09570	6.2
239.82242	0.6
241.09322	1.4
253.09384	2.1
254.09470	0.5
256.04117	0.7
273.18649	1.0
283.10526	0.6
291.16888	0.5
291.19647	2.6
309.20734	16.1
310.21051	2.2
323.51602	0.6
331.18277	5.3
332.18637	0.6
363.28622	0.6
373.11328	0.6
373.18469	0.6
391.19925	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	391.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.4
59.01385	48.4
61.01812	3.0
61.73355	3.0
61.98819	3.9
69.03447	4.6
71.07061	5.8
79.02551	3.7
96.96022	14.0
99.92575	9.6
100.32447	2.9
103.33006	3.4
115.53128	3.4
119.08641	19.5
125.09728	5.6
132.62097	3.1
137.09727	48.1
139.11334	5.2
147.50760	3.2
147.57262	3.5
151.11327	3.6
171.10283	100.0
172.10640	6.0
179.10541	7.5
183.10219	4.9
185.11845	20.8
193.08423	15.6
197.11795	5.4
201.11349	7.6
207.10046	98.6
211.13416	3.6
213.11354	9.4
219.10052	6.8
222.63559	3.1
233.17790	3.6
245.19078	8.6
253.09180	4.6
273.18420	5.4
291.19693	30.1
295.16672	4.9
309.17062	5.1
309.20715	84.8
310.21133	6.6
313.17865	93.3
314.18204	10.2
331.18442	5.1
373.18915	3.6
391.17392	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	391.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.9
59.01386	29.9
67.81042	2.3
71.05017	3.7
92.45426	2.5
97.06595	3.1
111.08154	16.4
131.01379	2.3
137.09702	3.1
147.11823	4.9
151.11328	2.5
165.05562	2.6
165.12863	4.9
169.12369	6.6
171.10341	9.9
185.45013	2.2
193.05246	3.1
197.11847	54.7
198.12201	4.6
199.13388	3.4
207.10013	2.9
209.15437	2.8
209.79053	2.3
211.13406	5.1
215.10596	10.8
219.10109	4.6
233.11627	100.0
234.11909	4.8
237.07773	3.0
249.09550	2.6
249.13504	5.5
251.11397	9.7
263.20139	3.9
273.14688	2.5
273.18558	2.7
291.19720	13.7
293.12558	19.3
294.12692	3.0
309.17117	3.1
309.20721	50.4
310.21069	5.8
313.17966	10.4
331.18744	8.0
371.57529	2.4
391.17661	7.9
391.21509	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	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55744	52.1
58.15543	58.4
59.01395	100.0
70.71652	50.5
73.14360	53.8
79.63715	49.2
81.60933	49.9
83.53878	52.6
108.12437	49.9
132.26582	64.6
138.26385	51.4
167.37616	58.0
225.92776	60.4
255.23166	80.2
266.25696	64.0
284.67938	54.1
401.33737	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57992	13.5
59.01389	100.0
61.98835	32.5
64.85992	14.7
71.69378	12.4
86.74736	11.9
98.21899	37.8
119.04960	12.7
121.58024	11.9
125.30127	14.3
283.02551	37.2
298.04755	24.2
299.01990	32.0
313.07050	67.0
314.04388	16.9
329.06665	46.5
369.13538	13.9
392.08075	17.3
415.07108	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.1
61.98834	100.0
63.29714	4.8
69.52574	16.6
71.01389	9.2
78.84930	4.8
79.95738	7.4
88.66216	4.9
89.02467	5.4
97.55327	4.7
137.43040	4.5
159.87367	5.1
162.97824	23.0
174.39209	4.3
185.06102	4.6
194.65700	4.6
195.06514	4.8
217.05121	5.2
227.57687	4.7
283.51651	4.5
288.67374	5.0
290.09885	5.0
309.31778	4.4
318.09100	5.2
329.49619	5.1
373.98309	6.4
393.08017	6.9
410.18854	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	392.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
61.98836	100.0
62.48773	2.8
69.96999	9.3
72.04907	3.5
78.68507	3.0
78.95918	3.6
87.11632	2.9
89.04323	2.7
98.21998	3.6
100.28543	3.0
120.77703	2.7
156.79227	3.0
217.00163	3.2
254.42500	2.8
287.48654	3.1
397.89630	3.0
416.37177	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	392.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08259	0.4
57.03451	0.8
59.01387	4.6
61.98836	100.0
69.25133	2.6
71.01397	0.9
81.03493	0.5
83.01388	1.4
87.60912	0.4
88.13677	0.5
89.02466	0.5
96.81543	0.4
98.21946	0.7
101.02459	0.7
111.85690	0.4
123.04551	1.1
125.02468	7.9
128.03532	0.7
135.04541	0.5
167.03516	5.7
177.09641	0.6
180.06615	0.6
259.51822	0.4
276.17157	0.6
295.58606	0.5
321.86838	0.4
327.39621	0.5
329.08682	0.8
331.51489	0.4
333.15421	0.6
345.13574	1.2
392.08224	0.5
393.16269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1221
Annotation	Tifluadom
Peak:m/z	Relative Intensity
53.67797	1.0
57.03452	0.9
59.01383	38.0
61.98830	1.9
65.00312	1.2
69.03450	2.5
69.67404	3.7
71.01393	9.8
72.99313	1.5
73.02953	2.6
79.95766	5.8
80.96535	1.4
82.02953	1.5
83.01407	2.9
85.02959	4.2
89.02469	7.5
91.05502	1.4
96.99295	1.2
97.02972	3.6
101.02441	7.1
103.04050	1.2
107.05057	6.2
108.50471	1.0
113.02470	3.9
119.03503	1.1
123.00887	3.3
123.04550	3.6
125.02444	3.1
132.02177	8.1
133.02951	17.1
133.03886	1.4
134.03787	5.0
135.04538	90.8
136.04877	4.6
136.98793	2.1
151.00435	2.6
160.01726	1.4
161.02464	35.0
161.04485	1.8
162.02789	2.0
162.69162	0.9
164.98346	3.2
165.99124	2.4
170.03751	10.3
179.03511	65.6
180.03844	3.4
182.03767	1.5
197.75458	1.0
198.03249	3.8
200.01129	2.5
201.01996	2.1
204.19656	1.0
214.02707	5.9
226.02739	3.6
242.02135	6.4
253.01349	1.1
254.01938	1.3
267.03146	1.5
270.01733	2.7
284.03180	2.7
285.03973	1.8
298.01193	56.7
312.02798	1.9
313.03543	59.1
392.12213	100.0
392.62405	35.3
392.66315	0.7
392.99246	32.4
393.04141	2.3
393.12268	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	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55605	5.2
53.54576	4.5
59.83593	5.0
61.98838	100.0
86.27518	4.6
98.21892	11.1
99.02397	5.3
138.72134	5.3
283.02533	44.3
298.04950	25.4
313.07220	81.1
393.02933	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	393.029
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99791	0.5
65.00300	1.0
69.08881	0.5
69.27184	3.0
69.27496	0.5
70.90019	0.5
83.46873	0.5
88.04910	0.5
102.36154	0.5
104.37959	0.5
107.71581	0.5
124.01704	1.0
136.98827	4.5
139.00354	0.5
140.18263	0.5
150.67696	0.6
152.01192	2.4
164.98306	10.9
177.99068	0.5
180.00671	4.6
183.04503	1.7
183.70261	0.5
185.02478	1.1
211.03981	2.3
215.98647	0.5
227.03482	1.0
237.75789	0.5
239.03313	0.6
239.56551	0.5
250.61687	0.6
255.03033	10.5
256.03247	0.7
269.04489	1.5
283.02493	66.9
284.02756	5.5
297.04065	1.9
298.04837	33.3
299.05350	2.7
313.07202	100.0
314.07541	9.8
393.02838	7.0
394.03165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0288
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
52.10207	0.5
60.19940	0.5
65.00323	2.0
66.39737	0.5
87.99152	0.7
88.15630	0.8
98.22680	1.3
117.03516	0.6
124.01649	1.2
136.98830	5.3
137.99152	0.6
151.00403	0.8
152.01210	3.5
152.02232	0.6
157.08344	0.6
164.98280	10.9
167.05019	1.0
177.99275	0.6
180.00650	4.2
183.04514	2.3
185.02431	0.6
211.04033	1.7
239.03629	0.8
255.03029	10.1
255.07036	0.7
269.04630	2.2
283.02496	72.2
284.02780	6.1
297.03937	1.6
298.04834	46.4
299.05243	4.3
313.07196	100.0
314.07559	9.1
393.02921	5.2
394.03311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96114	0.5
59.01354	0.6
60.20330	0.4
65.00313	1.6
69.52572	0.5
69.52904	2.0
69.60297	0.5
96.99310	0.7
123.00867	0.5
124.01663	1.1
136.98801	5.0
139.80888	0.5
152.01147	2.4
164.98315	10.9
180.00627	3.3
183.04482	2.1
211.04036	2.3
227.03418	0.6
255.02983	11.0
256.03238	1.3
269.04471	1.7
283.02496	70.9
284.02786	6.1
297.04150	1.5
298.04843	36.0
299.05188	3.3
313.07196	100.0
314.07532	11.8
393.02963	8.3
394.03293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87241	1.2
54.01256	1.1
65.00328	1.6
72.42101	1.1
98.21878	2.7
124.01654	1.5
136.98808	3.8
152.01193	3.0
156.42413	1.2
156.69594	1.3
164.98303	14.2
174.77257	1.3
180.00676	3.8
183.04492	2.7
211.03963	2.2
255.03004	12.3
269.04446	3.0
283.02505	87.5
284.02798	6.0
297.04013	2.9
298.04834	45.2
299.05222	4.4
313.07205	100.0
314.07581	10.4
316.43387	1.2
393.02902	9.1
408.61569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60812	0.3
65.00331	1.5
69.21037	1.2
69.21432	0.7
77.39048	0.3
79.95782	0.5
91.39200	0.3
98.22617	0.6
120.99321	0.3
123.00913	1.1
124.01731	1.0
132.02194	0.8
133.03043	0.4
136.98810	4.3
136.99722	0.4
149.99657	0.3
151.00430	0.6
152.01190	2.8
164.98283	10.6
167.05023	0.4
170.03749	0.9
170.80716	0.3
171.04541	0.4
178.99928	0.3
180.00652	3.1
183.04498	2.2
185.02414	1.5
191.46500	0.3
211.04019	2.2
214.02789	0.6
223.87512	0.3
227.03532	0.8
239.03560	0.7
242.02260	1.0
255.03018	11.3
256.03317	1.1
269.04684	1.7
283.02487	76.4
284.02872	6.3
297.04065	2.4
298.01233	6.1
298.04761	38.5
299.01831	0.7
299.05066	3.8
312.02844	0.4
313.03745	5.9
313.07159	100.0
314.04147	0.7
314.07492	9.8
392.99066	1.5
393.03189	8.2
394.03174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	2.2
67.91645	0.7
81.25880	0.7
84.78060	0.6
98.21897	1.3
124.01675	1.5
136.98784	5.7
139.00369	0.7
152.01193	3.3
164.96950	0.8
164.98294	12.0
180.00632	3.5
183.04552	3.3
185.02466	2.1
211.04033	2.3
255.02979	11.3
269.04459	2.5
272.25192	0.8
283.02505	80.8
284.02789	6.4
297.04120	1.8
298.04840	40.0
299.05243	5.6
313.07199	100.0
314.04150	1.3
314.07556	15.4
360.62054	0.7
393.02911	6.4
394.03284	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	393.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44476	0.4
65.00326	1.5
69.60501	1.7
74.37244	0.4
74.56857	0.4
75.00803	0.4
98.22781	0.4
117.03455	0.4
117.91129	0.4
121.96104	0.4
124.01639	1.3
126.60828	0.4
136.98785	3.7
149.99544	0.4
151.00435	0.6
152.01215	2.3
152.35669	0.4
159.65729	0.3
161.02415	0.5
164.98302	8.8
177.99150	0.5
178.99854	0.5
180.00655	3.7
183.04482	2.0
185.02394	1.2
205.01382	0.5
211.04015	2.0
227.03432	1.0
255.00420	0.8
255.03011	10.8
256.03439	1.0
269.04532	2.0
283.02505	71.0
284.02832	5.6
297.04028	1.8
298.04843	40.7
299.05185	3.5
313.07202	100.0
314.04184	0.4
314.07516	9.4
392.97937	0.5
393.02930	7.8
394.03232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72494	1.6
53.88165	1.6
57.37518	1.8
59.01382	5.3
59.02449	1.5
60.99314	15.3
71.01382	2.9
76.42832	1.7
88.98813	100.0
89.99221	1.8
104.77736	1.6
123.00861	2.1
125.02387	2.0
132.02193	1.6
133.02887	2.1
156.86841	1.6
164.98317	4.2
255.02940	3.7
283.02548	15.0
284.03317	1.6
298.01196	10.0
298.04843	7.3
313.03577	10.8
313.07187	16.3
314.04138	1.8
314.07455	2.3
314.29211	1.8
392.27557	2.8
392.99182	4.3
393.15421	7.5
393.21146	3.1
418.53641	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	393.0732
Annotation	FL 120B'
Peak:m/z	Relative Intensity
51.50238	0.9
53.43797	0.9
55.03102	0.7
55.89838	0.9
57.14981	0.8
60.73627	0.9
64.01892	0.9
65.00322	2.5
65.02744	0.9
65.99853	11.0
68.99815	0.9
82.02982	1.9
84.00936	0.8
98.21901	2.0
106.02994	3.3
108.00917	3.0
112.00417	21.9
117.03446	1.7
119.05034	0.9
124.00397	0.9
126.01983	1.0
130.03003	6.2
135.01978	1.2
136.00415	2.8
136.98827	3.8
136.99890	1.5
138.66440	0.9
139.01511	2.1
146.02486	3.4
147.45184	1.0
148.04092	1.7
150.01988	14.1
152.01151	1.4
153.03029	1.2
161.02466	4.1
161.06073	1.6
163.99889	1.0
164.98334	4.7
169.06615	1.3
171.04532	6.8
174.01965	12.4
175.99893	7.3
178.01381	2.1
180.00673	1.7
183.04446	1.3
187.02708	2.0
189.00607	1.1
200.03542	2.7
211.03961	1.2
213.05525	1.3
218.00940	2.3
221.02058	4.2
234.09213	1.1
236.07207	6.0
238.05063	1.4
239.03487	1.3
245.02007	0.9
250.08716	2.7
254.83099	0.9
255.03047	4.5
267.03033	2.2
268.06201	3.6
269.04587	1.5
278.08228	39.7
279.08597	4.1
280.06149	11.4
283.02499	35.5
284.02734	3.1
288.96194	0.9
289.00992	3.0
297.04001	1.2
298.04816	18.8
298.45804	1.1
299.05124	1.6
313.07178	51.1
314.07428	5.1
322.07224	9.2
350.06674	10.3
351.06644	1.5
357.93427	2.4
365.07098	0.9
366.06171	1.2
386.68463	0.8
393.03107	4.3
393.07300	100.0
394.07645	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	393.0984
Annotation	F-9775B
Peak:m/z	Relative Intensity
50.31123	1.4
50.44676	1.3
59.01372	1.7
61.98822	2.9
66.11668	1.2
70.90630	1.7
78.65755	1.1
81.73181	1.2
93.03485	1.8
96.96045	6.3
103.05530	1.6
115.25296	1.2
117.02650	2.4
117.03481	47.4
118.03796	2.1
119.05040	4.2
143.05051	2.8
161.02440	1.8
169.06505	1.6
173.06082	1.9
183.04507	1.5
185.02444	10.8
185.05951	1.9
197.06096	2.4
200.07083	1.2
207.06667	3.1
213.05588	4.4
231.06493	2.5
241.04956	2.1
250.02814	1.9
263.07043	3.0
277.08789	2.0
278.09418	1.7
289.08633	3.7
290.05811	2.1
299.05838	4.4
305.08167	2.7
311.22141	2.4
317.08014	2.2
333.07736	3.9
337.10751	4.4
361.07281	9.1
365.10202	9.3
366.10489	1.8
393.09772	100.0
393.19620	4.0
394.10187	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	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.6
71.01393	3.2
73.02949	11.5
83.01375	1.8
89.02454	1.3
98.21820	1.4
99.00878	0.8
99.08147	0.9
101.02440	5.1
113.02467	1.2
127.07661	100.0
128.08018	5.1
145.08708	1.5
153.05531	0.8
153.88918	0.6
171.06644	70.5
172.06981	3.6
222.48039	0.7
237.05688	0.7
284.99582	0.7
343.11572	0.6
345.13470	2.0
349.14853	1.1
377.72937	0.6
393.14063	29.0
394.14429	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	393.1559
Annotation	[3aS-[3aR*,4R*(Z),5R*,6R*,9S*,10E,11aS*]]-2-Methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-5,6,9-trihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-butenoic acid
Peak:m/z	Relative Intensity
59.01398	12.4
69.76082	4.0
69.76402	3.0
70.57220	2.2
71.01398	4.2
85.02954	2.7
99.04530	37.4
117.65754	2.5
125.02477	3.3
171.08186	5.4
172.08902	2.7
175.11354	10.9
187.11296	11.4
190.61345	2.3
205.12373	34.0
211.41937	2.4
231.17580	3.0
249.11331	5.8
261.18646	19.5
287.16513	7.7
305.17615	13.2
331.15491	2.9
343.11313	2.7
349.16589	11.5
375.14438	5.9
393.15607	100.0
393.20251	3.9
394.15860	15.2
417.23392	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	393.1559
Annotation	Ailantinol B
Peak:m/z	Relative Intensity
51.94564	1.6
55.43412	1.6
59.01093	2.3
59.01382	41.3
65.63592	1.3
69.03455	12.3
69.06184	3.9
69.06594	5.9
71.01392	18.0
73.02960	7.0
78.16756	1.5
79.05531	2.8
81.03456	1.6
83.04955	1.7
85.02965	7.2
89.02453	26.9
95.01384	3.0
95.05022	1.5
96.02149	6.5
97.02947	4.3
98.22652	2.7
99.00894	17.0
101.02452	14.2
107.05050	1.9
109.06535	2.4
111.00861	1.6
111.04498	2.1
113.02462	11.3
118.95012	1.3
119.03482	5.9
119.05038	52.2
120.05372	1.7
121.06528	1.6
124.01595	1.8
131.03517	3.6
135.04593	1.6
135.08133	2.7
143.03476	2.1
149.04596	9.7
149.05716	1.6
149.09714	1.3
150.03186	4.3
159.08122	1.7
161.04527	5.3
163.11273	5.7
165.05583	2.3
173.09665	4.8
179.05576	2.0
187.11217	2.5
191.05556	7.9
191.10730	3.3
201.02109	1.6
205.12350	1.6
213.16534	2.0
215.10753	8.0
231.17601	3.2
233.11833	19.8
257.15488	3.0
273.14737	1.7
275.16559	40.0
276.16873	4.2
282.51447	1.6
319.15356	2.1
345.13290	3.9
349.12692	1.4
349.16513	19.6
350.16885	2.3
375.14230	4.1
393.15454	100.0
394.15768	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	393.1561
Annotation	Gibberellin A43
Peak:m/z	Relative Intensity
50.94985	0.9
52.27744	1.0
56.58552	1.0
57.03443	3.3
59.01387	8.9
61.02129	0.9
69.03465	13.9
71.01389	9.4
71.05032	17.2
72.13264	0.9
73.02956	2.1
76.63570	0.9
80.02669	0.9
81.03449	1.2
83.01392	1.1
83.05035	1.9
86.00109	0.9
87.04542	1.0
88.28543	0.9
89.02480	0.9
95.05048	2.8
97.02950	7.5
97.06602	1.8
99.00903	2.1
107.05054	5.9
108.60584	1.0
109.06602	11.2
115.07006	1.0
116.65137	0.9
117.03425	1.6
119.05054	4.0
121.02940	1.1
121.06609	2.7
123.08191	2.6
124.19311	0.9
125.09737	2.7
133.06609	3.4
135.04535	3.2
135.08179	3.3
137.09746	2.1
144.62646	1.0
149.06110	1.1
149.09741	2.7
149.13309	1.5
151.00287	1.1
153.09322	1.6
157.06575	1.7
159.08160	4.7
161.09789	1.8
163.11328	1.8
165.99193	0.9
171.08185	2.8
173.09709	4.4
175.07689	1.1
175.11266	1.2
179.07130	1.6
187.07719	0.9
187.11281	2.7
189.12860	7.5
203.14404	2.2
205.15935	1.3
207.13785	1.4
209.11859	1.2
215.10826	2.7
217.08723	1.7
217.12390	1.8
227.14381	2.9
233.11818	5.8
235.13414	1.3
241.15927	2.0
243.17543	3.9
245.15523	2.6
246.16258	2.4
249.15057	1.7
259.13583	1.0
259.17065	2.6
261.14987	24.6
262.15353	2.1
269.15466	2.4
271.13480	1.9
277.14597	1.5
287.16599	9.0
289.14499	4.0
289.61349	1.1
290.15088	1.3
305.17606	9.6
306.18243	1.3
322.14432	1.2
331.15613	9.6
332.15613	1.4
349.16577	54.5
350.16953	5.7
393.15570	100.0
394.15814	12.5
397.09988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.6
59.01389	8.2
69.03463	13.4
69.44605	3.4
71.01397	7.9
71.05033	15.0
73.02943	1.4
78.95894	0.9
81.03445	1.4
83.05019	2.0
89.02421	0.8
93.03477	1.2
95.05013	2.2
96.02200	1.5
96.96024	1.1
97.02961	6.9
97.06588	2.6
98.25948	0.7
99.00861	1.1
101.02433	1.3
107.05025	6.4
107.08670	1.0
109.06609	8.9
111.00882	1.1
113.02424	0.8
117.03490	2.1
119.05054	4.5
121.02973	1.1
121.06622	1.9
123.08183	1.7
125.09745	2.2
125.27792	0.8
125.99638	0.8
133.02998	1.0
133.06622	3.0
135.04538	3.4
135.08180	3.6
137.06076	1.0
137.09711	2.7
147.08104	1.0
149.09749	1.9
151.00507	0.9
153.09232	2.1
157.06598	1.2
159.08156	4.9
161.06024	1.1
161.09674	1.4
164.25932	0.7
165.99040	1.1
171.08171	2.0
173.09734	4.6
175.07529	1.2
175.11295	1.7
177.05589	1.0
177.09175	1.1
187.11296	2.7
189.09274	1.4
189.12891	6.5
201.09142	0.8
203.14412	2.5
205.12430	1.0
205.16025	1.7
207.13931	1.4
209.11790	1.1
211.00775	1.6
215.10822	2.3
217.08728	1.4
217.12395	1.8
227.14394	3.2
233.11867	5.6
235.13507	1.2
241.16010	2.5
243.13930	1.0
243.17618	4.8
245.15498	1.9
246.16257	3.1
247.13452	0.9
249.15038	1.0
258.96793	0.8
259.17065	2.7
261.15002	26.3
261.18042	1.3
262.15479	1.8
269.15488	2.9
271.13522	2.6
277.18152	1.6
287.16516	8.9
289.14484	4.6
303.16055	1.5
305.17542	9.5
322.14151	1.3
331.15536	10.4
332.15991	1.3
345.13409	1.8
349.16565	54.1
350.16980	6.7
378.00528	2.1
393.02899	3.0
393.15598	100.0
394.15866	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03468	0.8
58.00599	1.4
59.01383	88.7
60.01720	0.9
68.51534	0.7
69.03452	1.0
71.01386	52.9
72.44506	0.8
72.99308	0.9
73.02951	16.8
81.03514	0.8
81.77118	0.8
83.01401	1.2
85.02961	7.1
87.00882	1.8
89.02451	100.0
95.01406	1.6
97.02972	1.8
98.21873	1.6
99.00889	24.3
99.01540	1.2
101.02448	34.5
113.02464	14.8
119.03512	12.4
125.02494	3.9
131.03517	12.9
143.03505	4.0
149.04567	47.4
150.04839	1.3
161.04591	3.9
171.06665	0.9
179.05598	7.3
191.05621	11.0
192.05939	0.8
221.06725	1.9
229.13045	0.8
251.07756	3.4
261.13489	2.0
393.17783	17.9
394.17831	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	393.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48105	0.6
55.01878	1.7
57.03455	1.9
58.00604	0.9
59.01385	100.0
60.01706	0.9
67.49423	0.6
69.03484	1.1
69.41763	3.5
71.01389	51.6
72.01720	0.7
72.99317	0.7
73.02950	20.4
73.94775	0.7
75.00916	0.7
83.01373	3.0
85.02959	12.8
87.00893	2.3
89.02454	71.7
90.02818	0.9
95.01408	5.3
99.00892	66.9
100.01253	1.9
101.02454	28.9
101.03109	1.5
106.19014	0.7
113.02464	34.7
114.02765	0.7
115.05196	0.9
117.03580	0.9
119.03519	17.7
119.05061	2.4
125.02469	1.1
131.03520	10.4
143.03479	4.7
145.84854	0.6
149.04572	30.7
150.04941	1.1
151.45503	0.7
158.91736	0.6
161.04564	16.2
179.05627	8.5
191.05629	30.1
192.05997	1.1
197.04659	0.7
219.58919	0.6
233.06694	4.6
233.11948	0.9
261.13525	2.3
275.16727	1.7
314.17331	1.4
343.12091	1.0
345.13498	1.0
349.16693	0.8
393.17776	40.1
394.18204	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.6
70.96279	2.4
75.00887	23.1
78.95911	2.7
91.66471	2.4
95.05010	5.0
96.96017	13.2
114.93433	3.0
138.22989	1.8
151.11258	4.8
152.99596	5.1
171.10269	25.7
174.99286	7.5
186.19772	1.7
197.02759	8.1
198.03438	2.8
265.07480	2.0
265.14847	14.7
266.15237	2.2
267.14377	3.5
269.07083	7.0
277.21741	31.9
278.21964	3.3
281.11020	1.9
295.22812	100.0
296.23148	10.1
311.16824	28.3
312.17184	2.9
329.14264	5.0
347.15482	3.1
349.17154	2.6
393.14871	4.4
393.19626	76.3
394.20016	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	393.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14069	4.4
59.01384	10.3
61.98827	5.5
71.41016	4.5
77.41119	4.1
78.95911	4.9
107.02830	4.6
119.05065	6.2
144.17900	4.5
200.71106	4.5
244.03290	4.0
247.81842	5.0
249.22357	5.6
262.11865	6.4
293.21240	64.0
294.21533	9.6
309.88931	5.6
311.22324	82.6
312.22580	8.6
315.19400	11.1
333.20468	100.0
334.20526	8.6
364.46539	4.7
393.14438	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	393.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70370	1.8
57.03457	4.4
57.97561	3.5
58.59512	1.5
59.01381	15.7
65.18474	1.8
70.86604	2.2
99.92631	7.7
125.09740	3.2
127.11260	3.1
129.11784	1.6
139.11304	23.7
155.10808	2.7
165.97873	1.6
171.06628	2.5
171.10283	43.5
172.10530	3.3
179.10532	3.3
183.10271	4.0
185.11845	7.2
193.08456	13.5
201.11296	8.8
207.10030	26.7
233.11606	5.1
247.20691	3.0
253.09424	2.8
275.20154	3.3
276.72034	1.8
277.13492	1.8
293.21310	7.4
294.21423	2.1
311.22302	100.0
312.22754	10.0
315.19391	41.6
316.19754	4.3
319.13885	3.0
333.20529	26.1
334.20755	2.9
373.18192	1.7
393.21674	11.0
394.21988	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	393.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
59.01389	20.3
61.98840	20.0
63.75220	1.4
68.99863	1.9
75.08621	1.7
101.02524	1.8
117.03463	2.3
125.09723	4.2
127.11291	4.2
139.11311	45.2
165.09024	2.9
167.10667	2.4
171.06656	3.2
171.08774	3.0
171.10277	64.6
172.10606	3.9
183.10294	5.6
185.11885	12.8
193.08475	83.9
194.08789	6.3
201.11411	8.6
207.10164	2.2
209.10306	1.7
253.09389	6.9
267.10968	3.0
275.20218	2.9
279.98886	2.2
284.05923	2.1
293.21283	18.5
305.32483	1.9
311.22299	100.0
312.22745	11.1
315.19302	13.4
319.13800	8.6
333.20578	10.4
393.22345	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	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20889	100.0
86.92484	42.3
98.22419	79.4
176.36714	39.8
177.33325	45.0
189.77080	39.3
190.24303	48.4
210.68320	45.9
217.86171	47.2
246.35268	48.1
255.42276	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	26.8
69.44714	31.0
69.45123	53.2
82.37814	13.4
96.96009	83.0
116.92813	14.0
128.23326	12.3
128.98552	13.4
139.75887	16.8
152.99576	24.7
173.68428	13.7
237.71330	13.9
269.04379	31.2
300.02798	29.6
309.17548	100.0
310.06900	22.2
315.05078	55.5
344.23181	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	394.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29452	11.5
58.90582	15.8
70.47095	25.9
78.45482	14.3
173.56859	12.3
173.59543	15.4
183.01222	46.1
239.27840	16.9
273.98688	15.7
309.17001	18.7
325.18521	100.0
326.18726	32.5
401.89407	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0079
Annotation	Tamarixetin 3-O-sulfate
Peak:m/z	Relative Intensity
52.32425	0.5
65.00320	0.5
68.47810	0.5
85.12936	0.5
96.96006	0.7
110.00105	5.5
111.00885	1.9
133.03047	0.5
134.03743	1.1
135.04587	2.6
136.98813	1.0
137.99579	1.9
142.84720	0.6
151.00363	0.5
153.01935	1.2
161.02429	0.6
163.00383	0.7
164.01146	1.3
165.99092	6.6
174.03275	1.1
190.99849	1.1
199.03938	0.6
200.04797	0.9
203.03622	0.6
216.04277	1.1
227.03488	1.7
228.04240	2.1
228.78764	0.5
230.02118	2.4
254.02199	0.6
255.03159	0.7
256.03720	1.6
272.03485	1.0
283.02521	2.0
285.02991	0.6
297.04074	0.6
298.04800	0.9
300.02762	47.8
301.03058	4.2
313.07178	1.8
315.05106	100.0
316.05402	9.2
395.00793	11.0
396.01080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37790	0.8
56.57973	0.7
65.00317	1.5
68.72837	0.7
69.38246	1.7
69.38648	2.2
79.95742	5.8
80.96513	0.9
82.00616	3.8
87.08242	0.7
103.01702	0.8
107.05087	0.8
110.00107	25.2
111.00932	4.1
123.00903	0.7
124.01727	1.0
125.02438	1.3
134.03731	5.4
135.04543	5.4
137.12659	0.7
137.99625	9.5
139.00412	9.0
151.00398	1.6
153.01939	5.0
164.01225	2.1
164.98352	1.4
165.99092	25.2
166.99617	1.0
178.99956	1.2
181.01451	3.0
186.03268	0.8
187.03851	0.7
190.99948	0.9
192.00664	1.3
199.04088	1.3
201.02010	1.0
211.04033	1.1
212.04669	0.7
214.02658	0.9
227.03496	1.4
228.04247	1.8
230.02267	1.0
255.03024	1.2
256.03885	2.0
283.02591	1.2
298.01520	0.7
300.02780	70.3
301.03134	5.9
313.03415	3.7
315.05133	100.0
316.05423	8.8
395.00797	35.1
396.00977	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	395.008
Annotation	6-Methoxyluteolin 7-sulfate
Peak:m/z	Relative Intensity
55.44699	0.6
61.00461	1.0
65.00324	4.3
69.44463	1.4
69.44877	0.7
72.43861	0.4
77.27644	0.4
79.95792	1.8
82.01771	0.7
96.02088	0.9
96.96020	27.8
98.22573	0.9
105.22913	0.4
110.00146	0.6
111.99649	0.8
119.05096	0.6
126.01225	1.2
133.03059	1.2
134.03737	1.1
135.90401	0.5
136.98827	7.5
148.97028	0.5
149.99626	0.8
164.01222	0.6
165.99249	1.2
166.01779	6.8
167.00011	0.7
167.02098	0.5
170.91373	0.4
172.05396	0.6
174.03336	0.6
181.01683	0.5
186.03212	0.6
188.04871	0.7
199.04112	1.3
200.04832	2.1
201.02014	1.9
202.02724	1.7
206.44609	0.5
212.04800	0.6
213.02046	1.0
214.02591	0.6
215.03442	0.6
216.04288	2.3
227.03612	1.7
228.04315	2.9
230.02289	0.7
242.41786	0.4
243.03053	1.2
243.06731	0.7
244.03917	0.6
255.03050	1.9
256.03772	2.3
271.02548	1.4
272.03360	1.6
283.02533	0.9
299.02072	2.8
300.02774	53.1
301.03098	5.3
313.03522	1.4
315.05127	100.0
316.05478	9.5
323.18777	0.5
395.00732	36.0
395.17136	0.7
395.21112	10.9
396.00974	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	395.0079
Annotation	6-Methoxykaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
50.42808	0.3
51.28439	0.3
65.00333	0.9
69.64169	0.8
79.95741	4.7
80.96510	1.7
82.00591	1.8
107.78308	0.3
110.00104	15.7
111.00913	3.3
124.01704	0.6
125.02489	0.6
132.02203	0.7
134.03738	3.5
135.04550	4.6
136.04781	0.4
136.98822	1.2
137.99594	6.7
139.00398	6.2
151.00386	1.0
153.01964	5.3
158.03822	0.6
160.01634	0.4
161.02492	0.7
163.00441	0.7
164.01210	0.6
164.98309	0.6
165.01981	0.5
165.99091	16.4
166.99504	0.7
168.10228	0.3
178.99907	0.8
181.01422	2.6
184.05354	0.4
186.03253	0.5
187.03920	0.6
192.00633	1.1
193.01578	0.5
198.03146	0.4
199.04012	0.5
201.01904	0.8
210.03244	0.5
211.04015	1.0
212.04758	0.9
213.02043	0.8
214.02727	0.8
215.03523	0.4
227.03575	1.3
228.04282	1.1
230.02129	0.6
238.02542	0.5
239.03456	0.7
242.02153	0.3
243.02930	0.5
255.02983	0.8
256.03723	1.8
257.00897	0.4
258.01605	0.4
271.06134	0.7
272.03391	0.4
282.01593	0.6
283.02557	0.8
298.01215	2.0
299.01898	0.9
300.02768	67.3
301.03119	7.2
313.03577	5.0
314.04263	0.5
315.05121	100.0
316.05429	10.9
362.95715	0.4
395.00787	37.8
396.01172	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	395.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46119	0.7
58.50228	0.9
59.13898	0.6
61.62371	0.6
79.95733	4.6
82.00624	2.4
110.00098	17.9
111.00890	3.3
118.28967	0.7
119.04938	0.8
123.01011	0.7
124.01677	1.0
125.02457	1.3
134.03745	2.8
135.04556	4.8
137.99619	7.7
139.00378	7.1
140.96223	0.7
153.01979	5.2
164.98389	1.1
165.99092	19.2
178.99910	1.0
181.01439	2.7
186.03206	0.9
188.04706	0.9
192.00630	1.4
201.02010	1.0
214.02574	1.3
227.03537	1.3
228.04436	1.0
239.03455	0.9
244.95721	0.8
256.03824	1.3
283.02499	2.3
298.01108	1.7
299.01917	0.8
300.02777	64.1
301.03049	4.6
313.03552	4.4
313.06937	1.4
315.05115	100.0
315.24234	0.7
316.05411	9.1
351.18057	0.6
376.47879	0.7
395.00775	32.7
396.01099	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	395.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	4.1
77.15092	1.5
112.35002	1.7
119.05064	2.8
126.90546	2.1
132.74861	1.7
136.98820	10.5
137.99739	1.5
152.01189	2.2
164.98297	19.4
180.00665	3.6
183.04568	2.8
211.03920	2.7
242.08331	1.9
255.02992	14.1
269.04608	3.8
283.02515	80.1
284.02826	5.7
295.01065	3.1
297.03864	2.1
298.04819	36.0
300.02725	4.3
307.22992	1.6
313.07199	100.0
314.07523	9.7
315.04956	9.5
323.07520	3.9
337.02249	3.7
342.84988	2.0
365.01581	4.7
366.09726	2.2
380.04047	4.8
395.01004	2.4
395.06161	5.4
395.12808	1.7
396.01474	3.3
396.11618	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	395.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90797	0.9
61.58696	1.0
65.99837	2.7
68.99819	1.2
69.09481	3.3
69.09907	3.4
98.22586	2.5
105.00591	1.0
116.05050	2.4
120.00930	7.9
136.98814	1.3
140.05142	2.0
141.04596	15.3
148.00414	1.1
152.04926	1.0
159.70058	1.0
160.00197	0.9
164.98325	2.2
168.04570	3.6
171.04512	1.6
187.00212	1.0
191.06172	2.0
219.05667	2.7
220.03955	1.5
222.05623	2.6
223.05270	2.4
225.05678	2.1
235.05080	8.9
247.05138	2.8
248.03519	1.8
248.05936	3.6
250.05194	2.6
252.06633	2.1
263.04620	12.5
264.05087	1.4
269.04678	3.1
276.05353	2.7
278.04373	1.6
291.04138	14.2
292.04651	1.7
294.96570	1.0
300.02679	2.3
304.04926	4.7
310.07242	1.2
315.05185	4.9
339.11374	1.9
353.09198	2.3
367.11008	8.4
395.10373	100.0
396.10794	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	395.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88247	0.6
59.01386	0.9
61.98825	1.5
65.49239	0.6
68.99818	1.6
84.52285	0.7
93.03474	3.1
96.96042	0.9
99.00915	1.3
117.03484	14.5
119.05039	100.0
120.05357	3.7
131.04962	0.9
135.04555	1.1
143.05058	1.4
145.02968	2.4
145.06557	1.2
147.04555	1.0
149.06123	1.6
158.03741	0.7
161.02449	13.8
171.04510	0.9
173.06097	2.1
174.03229	0.9
175.04031	0.9
175.66310	0.7
187.00436	1.6
187.03992	4.2
189.05591	5.0
200.01178	4.5
214.12389	0.9
215.03531	12.9
216.04102	1.3
217.05052	4.8
231.06602	1.3
243.03023	4.9
249.07635	3.4
258.11459	1.7
275.05634	6.4
276.05960	0.9
283.13693	3.5
302.10385	2.8
319.09659	1.6
335.09213	3.2
363.08795	11.2
364.09052	0.9
395.11423	9.4
396.15155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	9.3
69.87359	6.3
84.02161	2.7
94.80711	2.3
97.02954	7.7
98.03741	5.9
99.04520	6.4
102.84254	2.2
107.05052	3.0
109.06615	2.8
124.01671	5.2
125.62633	2.9
128.60011	2.4
129.26926	2.2
137.06131	6.2
137.09779	2.4
151.11223	3.1
153.09222	3.4
161.09724	4.2
162.26918	2.5
163.11385	4.3
173.09795	4.1
175.11281	4.2
175.24884	2.4
189.12869	5.3
191.10825	6.3
207.13890	2.9
221.08134	4.1
224.38606	2.9
243.17654	5.8
247.17036	5.3
261.18665	10.1
263.20206	8.0
265.38791	2.7
273.15106	5.1
277.14673	3.3
289.18213	15.0
307.19171	77.4
308.19443	5.2
315.05185	5.1
315.16086	4.0
323.18561	2.7
333.17038	4.4
343.26477	2.4
351.18158	85.2
351.22342	5.5
352.18405	11.4
359.14838	7.3
377.16147	39.0
378.16397	6.4
395.17117	100.0
396.17557	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	395.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13436	0.5
54.52738	0.5
55.04380	0.5
55.05893	0.6
57.03440	2.0
69.03452	2.3
69.13900	0.6
69.36834	1.6
69.37247	1.3
71.01059	0.7
71.01393	5.9
71.05028	16.6
97.02956	1.4
97.06593	0.6
98.03773	0.7
98.22630	1.0
99.00893	2.1
109.06602	2.3
123.60835	0.5
125.99593	1.2
133.10298	0.7
135.08162	0.7
137.09712	0.8
145.06573	0.9
147.02432	0.6
161.09756	0.9
173.09570	0.6
175.11345	0.9
187.11308	1.1
189.12856	5.8
191.14423	1.3
203.14394	4.8
205.15997	6.4
217.12325	0.6
217.15918	0.5
229.16072	0.7
233.15654	0.7
235.17090	1.5
243.17601	3.1
245.15565	0.7
245.19154	2.4
261.18698	4.5
263.15497	0.8
263.20181	17.8
264.20520	1.9
279.16092	1.5
289.18140	7.0
290.18619	1.1
307.19171	27.5
308.19431	3.1
333.17123	4.2
340.16650	0.6
351.18179	10.8
352.18518	1.8
353.60147	0.6
364.08701	0.6
370.48883	0.6
377.16165	5.5
395.17133	100.0
396.17526	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	395.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
58.00593	2.6
59.01376	2.4
69.03468	1.0
70.13142	0.6
70.13489	1.0
71.01381	1.3
73.02998	0.5
80.02669	1.5
85.00746	0.5
85.02949	1.7
85.06587	0.9
87.04536	3.4
97.06558	0.7
98.03742	1.0
99.04554	1.0
101.02430	0.7
113.06110	1.3
124.01679	14.3
135.08136	1.0
151.07648	0.9
151.11295	1.7
161.09731	1.4
166.14430	0.5
168.64572	0.5
171.08183	10.0
172.08948	5.9
173.09668	1.1
174.06825	0.6
175.07553	0.7
175.11308	8.8
177.12808	3.5
187.11304	24.7
188.11644	1.3
189.12933	2.1
203.10864	1.2
203.12933	0.5
205.12352	52.4
206.12720	3.6
215.14371	0.8
229.16037	0.6
231.17615	1.9
252.30943	0.6
261.18585	1.2
263.20212	3.7
289.18198	2.5
307.19180	39.6
308.19547	4.8
312.85107	0.6
333.17087	2.9
351.18167	9.1
352.18179	0.7
377.16086	35.5
378.16351	4.6
395.17142	100.0
396.17459	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	395.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
59.01382	2.9
60.59690	0.7
61.98838	1.3
64.07717	0.5
65.60815	0.5
67.17053	0.5
69.03460	12.9
73.02962	1.1
74.77381	0.5
81.03455	0.6
83.05028	1.8
86.18469	0.5
90.98608	0.6
91.05511	0.8
96.96008	1.2
97.02953	1.5
97.06591	0.5
98.00085	1.2
98.03746	0.9
99.00915	0.9
99.04520	1.9
107.05033	1.8
109.06596	3.4
109.18507	0.5
121.06519	0.5
123.08160	0.9
124.01694	0.8
132.93289	0.6
135.08162	0.8
137.09721	1.2
137.37659	0.6
150.63988	0.5
151.11215	1.2
173.09657	0.8
175.11292	0.7
177.12854	2.0
191.14436	0.8
231.17458	0.8
237.14983	0.8
241.15961	0.8
243.17548	0.9
256.54800	0.5
259.17026	19.2
260.17328	1.8
261.18613	2.2
263.20206	0.7
275.16547	1.4
277.18127	2.2
285.14938	2.2
289.18216	1.5
303.16101	0.7
305.17603	5.6
306.17651	0.6
307.19168	35.4
308.19482	2.9
333.17093	2.1
342.47635	0.7
351.18161	9.0
352.18207	0.6
377.16068	31.4
378.16367	4.5
395.17120	100.0
396.12921	0.9
396.17542	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	395.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68874	0.6
57.03222	0.8
57.03460	10.4
59.01370	0.9
67.76691	0.6
69.03466	1.2
70.58931	0.6
71.01385	2.5
71.05025	11.4
79.95716	0.8
83.05025	1.0
85.02960	5.4
97.02982	4.5
97.06599	24.7
97.07219	1.5
98.06960	0.6
99.00879	1.4
107.05052	0.9
109.06587	1.0
110.00110	2.1
111.00892	1.0
113.73119	0.6
119.89932	0.6
121.06783	0.7
123.08167	2.1
124.01672	1.1
125.09727	1.5
134.03741	0.8
135.04500	1.0
135.08173	2.4
137.99626	1.6
139.00381	1.1
153.02026	1.0
161.09660	0.7
162.50600	0.7
165.12907	0.6
165.99118	2.4
169.33342	0.7
173.77335	0.6
175.11362	1.1
189.12869	9.4
197.10497	0.7
203.14496	2.0
205.15973	2.3
228.04001	0.6
235.17068	0.8
243.17581	7.0
245.19168	6.7
246.19597	1.1
261.18616	3.4
263.20190	8.0
287.16534	2.9
289.18173	2.2
300.02802	10.6
301.03137	1.2
307.19196	19.0
308.19559	0.8
315.05145	15.8
316.05457	2.3
333.17053	1.8
333.65503	0.6
351.18161	12.0
352.18549	1.1
359.15317	0.7
377.16144	6.3
379.98523	0.8
395.00845	6.4
395.17126	100.0
396.01044	0.9
396.17520	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	395.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.6
69.03465	9.2
69.34037	1.7
69.34444	3.4
71.01376	1.3
73.02962	1.4
73.08135	0.8
83.05042	1.4
84.16499	0.9
93.03484	2.2
96.96040	2.6
97.02976	1.2
97.08408	0.8
99.00890	1.6
99.04527	1.5
107.05030	1.4
109.06585	2.3
111.58467	0.8
124.01691	1.9
137.02470	3.9
149.09694	0.8
151.11238	0.9
157.11848	0.8
177.12929	2.7
191.14336	1.0
231.17464	1.2
241.16066	1.8
259.17056	23.6
260.17346	2.2
261.18600	1.4
275.16422	1.4
277.18152	2.4
281.06845	1.2
285.14948	1.5
305.17725	3.6
307.19180	35.5
308.19592	3.7
333.17166	1.6
351.18152	7.6
377.16083	32.4
378.16425	3.6
395.03183	3.1
395.17148	100.0
396.17722	12.2
411.66190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43435	1.0
60.44673	1.0
64.01926	5.1
65.00333	5.9
65.99498	1.9
65.99853	29.3
68.99831	1.9
69.10864	2.4
69.11272	5.2
89.99850	2.5
93.03476	1.6
96.00922	7.4
104.01438	2.6
108.00925	6.2
111.00935	1.4
111.30011	1.3
116.01437	2.7
117.03503	1.9
119.00195	1.4
119.05043	24.8
120.00920	10.8
120.05388	1.4
121.02976	1.1
123.00859	1.3
127.00390	4.1
132.00935	4.1
133.01675	2.4
134.18584	1.0
135.04550	6.9
136.00420	35.9
136.98808	2.7
138.05641	2.1
139.00365	2.0
143.05011	2.0
144.00934	2.9
148.00418	10.4
149.01152	2.7
160.00432	12.0
162.01976	2.0
163.98518	1.3
163.99915	30.0
164.98322	4.4
165.98744	3.6
171.04530	4.1
175.99911	36.2
177.00607	3.6
178.01361	1.1
180.00551	1.1
180.07834	4.5
181.01001	1.2
184.04970	1.2
187.99924	22.9
189.00529	3.1
190.01534	1.3
190.98598	7.6
192.03014	2.5
201.00758	1.7
202.01552	2.0
203.99413	12.2
208.07790	1.4
209.06018	1.4
210.05583	2.2
214.01509	1.6
215.99384	25.1
216.99789	1.7
220.07639	2.0
222.05661	2.0
224.07217	3.1
226.05173	3.1
232.07416	2.6
236.07272	1.6
238.05090	3.2
240.06642	4.0
242.00873	2.7
248.07091	1.2
250.05185	3.8
250.08372	7.1
252.06700	3.0
256.03323	4.3
264.06683	7.4
265.04779	1.4
268.06161	100.0
269.06555	8.7
270.05084	2.0
278.04630	7.5
279.04904	1.8
280.06149	43.2
281.06573	2.7
283.02438	5.9
284.02838	32.5
285.03043	3.8
286.03159	8.2
287.03781	1.3
291.05237	1.4
292.06082	14.2
293.06671	1.8
294.07874	1.3
295.04828	2.6
296.09201	3.2
298.04620	3.8
299.05148	19.1
300.05255	2.3
301.05682	4.5
308.05655	25.1
309.06354	4.1
313.07404	1.8
314.07535	51.0
315.08017	5.3
316.08063	15.3
320.05646	77.2
321.05984	6.9
325.07159	2.6
336.05222	2.6
340.08282	11.6
352.08289	71.4
353.08685	8.4
364.04840	8.1
364.09183	1.7
365.04550	1.2
368.07767	60.0
369.08063	6.6
396.03421	5.5
396.07431	1.6
396.11957	18.4
397.11334	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	396.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04100	4.7
67.05531	0.6
68.99836	4.3
71.40514	0.7
76.27172	0.6
93.03463	2.7
96.32504	0.7
101.03960	1.1
104.02689	1.2
108.02180	0.7
109.02948	2.2
110.00113	1.2
111.04541	1.4
117.03465	2.9
119.05036	100.0
120.04645	0.7
120.05371	3.9
121.02203	0.7
121.02952	4.6
134.06131	3.5
135.04552	3.2
136.00450	0.6
137.46228	0.7
138.05626	12.6
143.05040	4.1
145.02951	1.1
146.06067	0.8
147.04539	1.7
148.01691	1.3
148.04092	0.6
149.02483	0.9
151.03929	0.7
161.02463	2.6
162.05640	1.2
171.03098	0.8
171.04530	16.6
174.03220	0.7
175.57669	0.7
176.01208	1.9
178.05121	4.2
180.07808	23.7
180.09415	1.2
181.08127	0.8
187.04063	2.7
190.05066	2.8
191.05850	0.9
207.08247	1.0
219.08083	0.8
232.07320	3.4
234.04272	0.7
235.07661	0.8
237.09163	1.3
238.06258	0.8
250.08452	6.3
251.06999	0.9
252.07739	1.2
253.08783	1.2
263.07150	1.6
264.10294	1.4
265.08694	2.3
266.11984	0.9
267.05463	1.3
268.06229	0.8
270.07922	1.0
276.06351	2.7
280.07376	1.3
281.08194	2.5
282.08334	1.0
282.11383	17.6
283.11826	1.2
284.03061	1.3
286.04861	1.6
292.09879	2.7
293.08057	4.1
296.05676	1.7
310.10837	11.3
311.11084	1.9
314.07602	1.9
316.05396	1.1
324.13748	0.7
333.47128	0.7
336.08835	0.8
340.08435	1.0
352.13025	36.1
353.13617	4.7
354.09750	3.3
368.07687	1.8
396.12030	77.9
397.12460	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	396.1204
Annotation	Acutumine
Peak:m/z	Relative Intensity
58.04108	0.8
58.19353	0.2
59.98597	0.2
65.99858	0.2
66.03458	0.2
66.54988	0.2
68.22063	0.2
68.99839	0.4
93.03457	2.0
95.01367	0.4
96.96033	0.5
108.02171	0.5
109.02970	1.5
110.00111	0.9
110.03564	0.3
111.00900	0.3
111.04572	1.1
117.03487	1.3
119.05038	100.0
120.04576	0.4
120.05369	4.6
120.99292	0.3
121.02969	3.5
122.06116	0.5
123.00921	0.4
123.04507	0.2
135.04556	3.4
136.98869	0.4
137.02409	0.3
138.05624	11.1
139.06024	0.3
143.05043	2.6
144.36356	0.2
145.03003	1.0
146.06146	0.6
147.04530	0.3
148.04054	0.9
160.04033	0.3
161.02473	0.8
162.05592	0.9
162.06815	0.4
164.07143	0.5
164.98312	0.7
165.00703	0.3
165.99084	0.6
166.05202	0.3
169.70967	0.2
171.04532	0.3
178.05106	0.4
180.07806	23.2
181.08124	0.9
186.06810	0.2
187.04001	2.9
188.08287	0.5
190.04974	4.0
206.04596	0.5
208.06192	0.7
216.03055	0.6
230.05644	0.4
232.07278	3.5
234.04173	0.7
237.09288	0.2
248.06775	0.6
250.08354	5.8
250.10863	0.4
251.08731	0.3
253.08667	0.4
258.05225	0.4
267.05365	1.2
268.06158	4.6
270.05118	0.3
270.07736	0.2
276.06284	1.6
281.08170	0.6
282.11469	0.4
284.02866	0.7
285.03888	0.4
286.05063	1.0
310.10886	0.4
314.07492	1.0
316.05289	0.4
336.08783	0.3
352.13098	1.1
353.11591	0.7
354.09860	3.2
355.10342	0.3
378.10870	0.3
396.12030	42.7
397.12354	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	396.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71511	1.7
60.99307	2.9
64.47134	2.1
70.96700	2.2
71.11650	2.3
74.02483	84.3
75.02869	1.9
81.65275	1.9
85.51881	2.1
89.17551	2.2
93.03452	15.4
96.96042	2.3
104.03551	21.7
106.04229	2.3
117.03479	65.9
117.04292	4.2
118.03848	3.4
119.05029	6.2
131.03477	1.9
133.02959	4.4
135.04536	4.6
161.02458	59.2
190.12460	2.9
199.04047	5.2
216.84894	2.3
234.11383	3.1
246.70749	2.0
247.20732	15.6
252.88756	2.3
258.11380	7.8
273.18542	11.3
286.84970	2.2
290.24719	2.1
291.19662	9.6
299.01956	5.5
302.10297	11.7
304.22968	3.2
309.20612	3.1
334.23999	9.7
366.22900	34.4
367.23224	4.1
378.22989	8.7
378.48746	2.0
384.68869	2.0
396.14630	6.4
396.23929	100.0
397.09067	15.3
397.17270	2.9
397.24152	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	396.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38087	1.0
69.47205	4.7
79.95744	9.9
80.96499	1.4
94.98129	1.7
95.95224	1.8
96.96021	71.8
122.97574	3.8
124.68818	1.0
243.96477	1.0
288.39529	1.1
294.44852	1.0
339.19885	2.5
342.18396	1.1
345.81903	1.0
379.98868	1.1
397.22672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78184	1.5
64.96984	1.6
68.53851	1.6
69.46130	5.9
69.46546	3.8
70.92444	1.5
73.00124	1.5
73.47645	1.8
79.95728	8.5
95.95220	2.3
96.96017	72.7
122.97591	5.3
183.01241	5.4
198.80034	1.9
339.20026	12.6
346.24600	3.3
364.25873	3.3
397.22656	100.0
418.15067	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	396.9697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44099	0.4
52.54609	0.4
59.01356	0.6
61.96235	0.4
63.02398	1.1
65.00334	8.7
69.38663	1.6
77.71939	0.4
83.01398	4.0
96.96015	2.1
107.01403	13.3
109.01101	0.4
109.03001	0.5
133.02972	1.8
135.04559	4.6
151.00388	28.0
152.00726	0.8
163.04025	20.7
164.04480	0.4
165.00179	16.9
166.00455	0.6
169.01515	0.6
178.06371	15.7
187.04076	0.6
193.08720	21.2
194.09052	0.8
199.04105	0.4
246.11096	0.5
255.03003	4.4
256.03806	1.5
257.04593	4.5
283.02554	2.7
284.03256	4.0
285.03659	0.7
300.02838	0.8
317.01273	100.0
318.01590	9.9
325.03592	1.5
325.07178	0.5
396.21445	0.7
396.96967	3.2
397.09219	8.9
398.09741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51569	0.4
63.02405	0.7
65.00324	3.5
65.52966	0.4
69.58224	1.2
69.58614	1.1
78.38118	0.4
80.48058	0.5
85.98188	0.4
91.01887	1.1
92.99859	0.8
120.99268	0.5
132.02190	0.7
133.02974	35.5
134.03317	1.5
135.00940	2.8
135.04558	0.7
136.98817	2.4
142.34402	0.5
145.55144	0.4
151.56651	0.4
155.05025	0.5
159.04550	1.1
163.00407	6.4
164.98328	5.3
171.04573	1.4
173.02415	0.7
175.04042	1.5
183.04604	1.2
198.03224	0.9
199.04042	30.3
200.04321	2.2
201.01947	6.6
203.03493	1.0
206.10492	0.4
213.02090	0.6
215.03627	0.8
226.02670	0.6
227.03522	8.0
228.03949	0.7
243.02974	9.3
253.01364	0.8
255.02998	5.4
256.03281	0.7
271.02505	12.7
271.05325	0.8
272.02893	0.8
281.00903	1.1
282.01730	1.0
299.01996	57.4
300.02362	6.5
325.07187	1.5
336.24036	0.5
379.97070	0.6
386.99155	0.6
397.09320	100.0
398.09665	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	397.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40602	0.5
50.67889	0.5
63.02399	0.6
65.00328	7.7
69.55654	2.5
91.01900	1.4
96.99300	1.0
107.01365	0.7
108.99344	0.6
109.20483	0.6
110.00109	0.8
117.03468	0.6
119.05019	2.4
123.81453	0.6
132.02225	0.6
133.02966	40.8
134.03325	1.1
135.00896	3.3
135.04527	1.9
136.98834	6.5
139.00406	1.0
143.05025	1.2
151.00426	0.9
157.02872	1.2
159.04590	1.0
161.02472	0.9
163.00406	5.6
164.98317	6.6
165.99049	1.0
171.04520	2.3
172.05292	0.6
173.02408	0.8
175.04022	2.0
183.04514	1.5
185.02428	1.0
187.04007	1.6
198.03262	1.5
199.04022	33.9
200.04434	3.0
201.01917	8.2
202.02461	0.7
203.03537	0.9
211.04021	0.7
213.01997	1.5
215.03539	2.1
216.04337	1.2
217.37024	0.6
226.02823	1.2
227.03484	10.4
228.04056	1.4
243.02975	10.1
255.03004	4.4
256.03430	1.0
271.02524	12.5
272.02963	1.4
281.00903	0.9
282.01703	1.1
284.03284	1.7
285.04105	5.6
299.01993	87.2
300.02710	41.5
301.03232	3.9
351.08765	11.6
352.09085	2.3
379.08337	3.4
380.08441	0.9
397.09296	100.0
398.09528	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	397.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98166	0.6
57.08278	0.6
59.01383	52.5
61.98830	0.8
69.56838	2.5
69.57168	0.7
71.01377	2.1
76.91296	0.6
78.95905	1.7
83.06154	2.5
85.02953	1.1
87.05658	1.4
96.96020	10.3
96.97000	1.2
98.21869	1.2
101.02454	2.5
107.47814	0.6
108.05708	1.2
108.89628	0.6
113.03590	1.2
113.83501	0.6
117.00430	2.0
120.01257	0.6
126.00456	1.0
127.04041	1.1
131.08266	12.6
137.06058	0.8
141.01678	4.7
141.05232	0.6
150.05254	5.2
151.05243	0.8
153.06702	0.8
153.99988	1.2
156.07854	0.9
157.03557	2.5
159.01546	1.9
159.07809	0.9
171.07797	2.5
171.99580	0.9
172.01039	18.6
173.01120	1.4
173.10510	2.5
178.04732	1.6
182.03036	0.9
183.02701	1.2
183.06267	1.1
184.01059	1.1
185.03000	0.9
192.02736	4.3
192.06247	1.4
194.07831	4.9
196.05798	25.2
196.07608	1.4
197.05952	2.3
198.05486	0.6
201.02573	42.5
202.00406	3.3
202.02740	4.3
211.05669	1.0
213.07426	1.0
214.05783	1.7
231.08360	6.3
236.95323	0.7
238.06853	100.0
239.07034	12.7
243.09892	1.1
248.00043	0.7
255.09526	53.0
256.09671	6.8
259.01688	0.7
273.10596	2.2
278.11142	0.9
279.09976	1.2
315.11597	4.2
316.11813	1.3
337.09433	1.2
353.13739	0.9
355.08463	3.4
380.07993	6.3
381.08249	1.8
396.88428	0.9
397.09293	15.8
397.23361	1.0
398.08713	0.7
415.11652	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	397.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	8.6
65.00351	2.5
69.59586	7.1
71.01362	3.8
72.37422	1.6
72.99326	2.8
83.01379	3.4
85.02961	2.8
87.00881	3.3
89.00354	1.7
89.02432	1.6
95.00832	2.6
95.01397	35.4
97.02974	2.2
97.07729	2.1
101.02464	4.5
106.00633	4.1
109.02946	2.1
110.00076	5.1
112.07699	5.1
113.02431	2.1
113.06050	1.8
119.05015	4.9
121.02971	37.2
123.00900	31.6
125.02425	2.1
127.08748	3.5
128.07202	5.1
135.01228	1.5
135.04469	2.4
138.03239	24.8
139.00375	2.9
145.09818	5.7
147.04555	2.0
149.49728	1.8
153.05588	39.9
156.06693	5.2
158.34734	1.8
165.99083	4.0
171.07771	17.5
173.09314	23.9
177.12880	2.8
179.02266	5.9
180.02997	2.4
181.07298	1.8
193.03775	4.1
194.04610	11.9
197.02829	3.3
197.04576	41.0
198.04932	2.7
199.07274	60.9
199.09157	3.3
208.06117	9.7
239.05597	1.9
251.10312	12.8
269.04565	6.7
270.05365	2.0
279.09882	100.0
280.10178	10.1
281.15085	9.6
291.13132	1.9
293.11374	6.2
294.12265	36.2
295.12515	4.3
300.02908	2.6
302.03397	3.0
309.14633	10.1
315.05005	5.5
317.05737	3.5
325.10281	2.6
325.14075	58.0
326.14328	6.4
353.13513	86.1
354.13837	7.0
361.11255	3.4
397.11383	6.8
397.15692	3.0
398.08640	4.2
399.99911	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	397.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72380	1.5
65.00336	5.2
68.55227	1.4
71.01418	1.4
80.49502	1.5
83.01382	2.2
87.91024	1.5
96.96018	1.8
98.95599	4.0
107.01411	7.1
135.04553	21.0
151.00386	14.4
163.04021	100.0
164.04361	5.4
165.00110	10.0
178.06363	79.5
179.06686	4.9
193.08707	83.1
194.09061	6.9
241.05627	1.3
255.03024	2.6
257.04504	2.0
300.02460	1.9
309.26355	1.6
312.41058	1.6
317.01273	61.7
318.01578	5.5
327.19638	1.6
397.21475	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	397.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90319	2.9
55.01879	5.7
57.03465	8.1
59.01089	4.6
59.01387	94.4
62.78574	2.8
64.75584	2.6
68.00820	3.0
69.03462	4.0
71.01390	100.0
71.39722	3.0
72.99320	6.3
73.02950	41.5
75.00853	4.3
75.05502	2.9
76.34245	2.5
79.95763	3.6
80.96519	3.3
81.03471	2.9
83.01401	21.2
83.05059	4.7
85.02962	49.5
87.00880	9.7
89.02451	21.5
91.77296	2.8
93.03496	6.5
95.01408	17.2
96.96037	3.4
97.02982	6.6
97.06587	2.8
99.00898	16.0
99.04588	3.0
101.02449	89.4
104.79974	2.6
109.02982	3.2
111.00888	5.9
111.04533	3.7
112.01677	3.2
113.02464	46.2
114.02724	3.1
119.03512	9.1
119.05038	14.7
120.85520	2.7
121.02971	12.0
123.00912	5.5
123.04546	5.3
123.08219	3.8
123.49255	2.6
125.02431	5.7
133.13075	2.7
137.06166	3.0
138.03271	4.4
143.03511	4.1
153.05624	11.5
159.02974	8.7
161.04578	35.6
165.05676	3.3
166.01471	3.2
167.03432	3.6
171.07899	3.3
173.09370	6.3
187.04062	3.2
194.04666	3.7
197.04570	21.4
199.07249	10.1
208.06165	3.1
232.39581	2.8
235.07405	3.0
235.11879	58.7
236.12132	5.3
247.13467	2.6
279.09937	25.2
281.15305	3.1
285.76993	3.0
286.07364	4.2
294.12228	11.1
309.14243	3.3
325.14050	11.5
353.13257	15.8
397.06805	4.2
397.11148	7.2
397.17380	64.1
398.16718	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	397.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
56.39489	1.4
58.43629	1.5
59.01386	52.6
61.01403	1.4
69.32047	4.1
69.32433	3.4
71.01391	27.5
73.02952	29.1
74.99155	1.8
75.00850	1.6
83.01381	2.7
85.02943	10.6
88.04067	1.9
89.02437	13.1
98.22694	3.0
99.00942	2.7
99.04535	2.3
101.02460	19.4
101.06094	100.0
102.05598	1.7
102.06388	2.0
103.04045	1.8
113.02473	6.5
114.05602	1.7
115.07662	94.4
116.07996	1.7
117.05601	2.3
118.98080	11.4
119.03489	3.6
119.05009	2.6
121.06581	1.6
124.87851	1.5
125.02412	2.4
125.06081	1.8
127.00370	1.7
133.05086	9.5
143.07158	13.9
151.06154	15.2
151.07468	2.6
154.45099	1.8
161.04535	4.6
166.46764	2.1
173.08174	2.0
175.06129	6.2
178.19579	1.6
191.09235	2.8
203.09271	10.0
217.98698	1.7
245.10388	2.1
271.69489	1.9
276.98019	3.6
295.10373	20.7
307.13977	2.1
313.11542	1.8
397.09531	4.5
397.18521	19.6
398.19046	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	397.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86291	0.9
57.03452	2.3
58.00603	1.2
59.01379	7.3
63.43259	1.0
69.03471	6.2
69.68559	2.7
69.68937	1.9
71.01400	8.3
71.05022	15.0
73.02966	1.3
81.03419	0.9
83.05048	1.1
85.02972	6.0
87.04517	6.7
88.26759	1.0
89.02454	2.5
97.02953	2.0
99.00891	2.0
101.02471	1.5
109.06608	1.6
113.02452	5.4
115.04018	2.6
119.05030	1.7
123.08131	1.0
125.09718	1.0
147.08250	1.0
151.11427	1.0
159.08170	3.7
173.09686	1.0
175.11302	1.4
177.12865	3.1
183.11754	1.3
185.09795	1.7
185.69672	1.1
187.11282	4.8
189.12872	6.8
191.14471	3.3
201.12881	2.4
203.10687	1.4
203.14433	2.6
205.12340	3.3
207.13976	4.9
215.10814	1.1
219.13922	1.6
221.84839	1.1
235.13490	2.6
259.17133	1.4
261.18567	1.6
279.19666	2.1
281.17599	2.2
291.19681	4.1
307.18930	2.3
309.20731	2.9
335.18707	3.9
353.19724	46.1
354.19977	6.1
357.95236	1.2
397.18701	100.0
398.08719	1.6
398.19098	15.0
407.33459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1871
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
57.03444	0.9
58.00601	0.7
59.01369	1.8
69.03478	0.7
69.14828	3.2
71.01394	2.2
71.05023	5.1
73.02956	9.8
75.00883	4.3
80.02663	0.6
83.05020	1.8
85.02956	1.4
87.04532	2.2
95.05013	0.6
97.02960	1.8
97.06590	0.5
99.04506	0.7
101.02439	3.2
111.08121	0.5
113.63375	0.5
121.06602	1.2
123.04487	0.5
123.08188	1.1
124.01653	2.5
125.06178	0.6
125.09737	11.3
133.02945	0.5
135.04504	0.5
135.08174	2.7
137.09732	0.5
149.09761	0.6
151.07663	1.4
161.09769	1.7
163.07654	1.7
163.11320	0.6
165.09172	0.5
175.07787	0.5
175.11255	0.5
177.12851	1.3
185.09695	0.6
189.09340	0.5
189.12866	1.3
190.10046	0.9
191.10789	1.1
203.10806	0.7
205.12364	3.9
207.13904	5.2
208.14221	0.8
215.14418	1.8
217.12347	1.9
219.10365	0.6
231.17500	0.8
233.11961	0.5
233.15489	1.3
234.12665	1.1
235.13416	2.6
235.17067	1.7
243.17717	0.6
247.16847	0.6
259.17017	0.8
261.18610	2.9
262.18777	0.6
271.16943	0.7
289.18066	6.3
291.19547	1.0
307.19193	0.9
309.20734	20.4
310.21158	2.3
335.18536	2.8
353.19675	10.7
354.20468	0.7
379.17630	4.0
397.18686	100.0
398.19061	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	397.1871
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
55.92602	0.8
57.03461	1.3
58.00592	0.8
59.01393	7.1
71.01385	10.8
71.05003	0.8
73.02956	32.8
78.55128	0.6
83.01407	0.8
85.02951	2.4
87.00092	0.8
87.00909	1.2
97.02956	3.1
97.06610	0.7
99.04531	1.5
101.02466	13.7
105.07076	0.9
114.05624	0.7
118.98100	4.3
119.05000	1.1
121.06621	2.4
123.08173	0.8
124.01682	2.5
125.09750	1.1
135.04500	0.9
148.01488	0.8
155.76024	0.7
163.07767	0.7
168.99597	1.5
173.09784	1.0
175.04112	0.8
181.08667	1.3
185.09720	2.8
185.26398	0.7
187.07741	1.0
187.11304	1.8
193.01492	0.9
201.09264	1.2
217.12318	1.6
231.14027	2.1
239.14449	2.7
257.15402	5.3
258.53049	0.7
276.97665	0.9
289.18134	3.0
291.19724	3.1
309.20761	11.6
310.20932	1.4
335.18640	3.7
353.19702	12.7
354.20319	1.2
379.17615	5.2
397.09534	4.4
397.18710	100.0
398.19034	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97026	0.5
69.68420	1.7
79.95744	12.6
80.96515	0.5
94.98091	1.1
95.95248	2.8
96.96020	88.2
97.95972	0.4
122.97584	4.3
153.85345	0.4
167.00171	0.6
181.66345	0.5
181.90930	0.6
183.01189	0.7
262.60226	0.5
339.20032	2.7
397.22665	100.0
398.22992	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	397.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36090	0.4
64.97015	0.7
69.62742	1.9
79.95745	14.6
80.96541	1.0
84.20017	0.4
94.98094	1.2
95.95227	2.8
96.96020	95.5
98.22600	0.6
106.00444	0.5
122.97582	5.4
138.24332	0.5
167.00117	0.5
182.39073	0.5
183.01270	0.6
197.02789	1.4
339.20023	6.4
397.22662	100.0
398.05508	0.5
398.22998	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	398.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	2.5
65.99845	0.8
68.99830	1.9
69.10023	4.8
72.52950	0.7
82.02974	4.5
90.03470	0.8
94.18868	0.6
96.04551	1.8
98.21898	1.6
102.03530	2.3
106.02995	11.5
108.00922	3.2
109.01708	0.8
110.00097	5.5
116.05066	4.5
118.02993	4.5
119.05038	1.1
123.00872	0.7
126.01974	2.4
130.03004	21.3
131.03781	0.7
134.02516	0.8
136.98856	1.7
137.99591	1.2
146.02492	14.2
147.03270	1.3
148.04050	3.4
150.01997	14.9
151.00302	0.8
161.04941	0.6
164.98288	2.7
165.00636	1.8
165.99068	5.0
169.06636	0.9
171.04564	8.8
174.01976	37.3
175.02405	1.5
187.02786	6.8
190.01454	0.8
192.03052	2.6
192.08397	0.8
200.03513	5.6
206.09795	1.0
208.07716	2.4
212.07230	1.0
218.00900	1.1
226.08801	1.4
234.09315	2.7
236.07193	16.3
237.07599	1.7
241.05104	1.5
242.08270	2.3
250.08704	8.1
251.09116	0.8
260.07199	2.0
269.04565	11.4
269.07086	1.2
270.05261	5.7
270.07748	5.1
271.06021	1.1
274.32492	0.8
278.08243	100.0
279.08578	9.7
280.06119	1.6
322.07236	43.3
323.07608	4.2
338.10715	0.7
354.09869	43.6
355.10089	4.7
381.10858	1.3
398.09366	1.8
398.13950	9.0
399.11829	4.3
411.21509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70214	0.6
57.37648	0.6
65.00320	2.3
65.99849	2.3
66.19189	0.5
68.99818	1.5
69.43795	2.6
93.03482	2.8
110.00105	5.6
117.03481	0.8
119.00089	0.7
119.05032	11.9
120.00944	2.9
120.05360	0.7
134.02589	0.6
136.00330	0.6
136.98836	1.4
137.99591	2.0
143.05045	2.1
144.04539	5.7
145.02998	3.1
146.02501	0.7
148.00458	3.4
156.04558	1.1
164.98297	4.2
165.00645	0.8
165.99107	5.9
167.05026	1.5
168.04500	0.8
170.06142	0.7
170.19965	0.6
171.04533	4.4
173.06033	0.9
175.99886	0.7
177.99133	0.6
183.04498	1.0
184.04074	1.4
187.03969	0.9
187.99979	0.7
194.06140	1.9
195.04489	1.3
198.05626	1.4
199.04019	0.9
206.06158	1.4
210.05666	1.8
213.05400	0.7
222.05638	4.2
223.04172	0.6
223.06306	0.8
224.07196	1.3
225.05472	1.1
226.05113	2.3
234.05653	2.0
238.05157	3.1
240.06654	0.6
242.08212	1.9
250.02939	0.8
250.05096	5.0
251.03517	1.1
251.05853	2.3
252.06801	3.4
266.04565	5.9
267.05377	3.8
268.06137	3.0
269.04535	13.2
270.05258	7.0
270.07825	3.4
271.06033	2.9
278.04620	7.1
279.05316	1.3
280.06229	0.7
292.06390	0.9
294.04105	15.0
295.04410	1.4
307.04941	2.5
338.06616	0.6
338.10345	1.1
354.11234	0.9
356.09396	3.9
357.09799	0.7
370.10800	2.6
398.10309	100.0
399.10812	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69410	0.8
57.03445	1.2
59.01385	5.6
59.76584	0.7
65.00314	1.8
69.89379	2.4
71.01379	1.9
72.99303	1.3
73.02946	1.4
75.00890	1.3
78.01124	1.1
79.95748	5.0
80.96518	2.3
81.95326	1.5
82.06605	0.8
83.01409	1.8
83.05038	1.1
85.02956	2.7
87.00858	1.5
89.00323	1.6
89.02462	0.8
91.01897	1.9
93.03427	0.7
95.01398	1.5
96.96007	3.1
98.06124	2.7
98.33511	0.8
100.07700	13.0
106.00600	1.8
107.05093	0.8
109.06571	1.2
110.00107	6.8
111.00433	3.2
111.01028	0.9
112.00549	1.4
112.07689	14.3
113.02450	2.7
117.03484	0.8
118.83328	0.7
119.05035	3.2
121.02970	38.2
123.00894	5.1
125.02455	1.1
128.07188	100.0
129.07516	3.1
133.02919	2.2
134.03726	1.1
135.04581	5.9
136.04880	1.7
136.98874	1.2
137.99603	2.2
138.03227	4.1
139.00471	3.7
140.00757	1.6
145.02959	1.0
146.08228	13.3
151.07642	1.1
153.01918	1.3
153.05594	26.8
154.02271	1.2
156.06656	12.2
161.02431	3.6
164.98247	1.0
165.01944	1.1
165.99095	6.5
166.99626	6.6
167.99521	1.8
174.07721	34.3
175.08099	1.5
179.03447	2.3
180.04292	0.9
182.02196	10.5
195.06570	1.4
196.02464	2.3
197.04562	81.8
198.04865	4.9
200.05557	0.9
212.04285	0.9
218.06714	21.9
219.07007	1.3
219.75282	0.9
231.14122	0.8
232.08417	1.1
249.14995	1.1
267.06845	0.9
269.04489	3.2
270.05374	1.4
271.17267	0.9
284.02908	1.0
299.01761	1.1
300.02817	3.7
301.03094	30.6
302.03366	3.8
303.03592	12.3
311.09433	1.9
314.03928	2.6
315.05032	2.6
316.05435	53.1
317.05673	6.0
318.05942	20.6
319.04807	2.5
326.12454	11.5
327.12738	0.8
355.13632	1.2
398.00995	25.4
398.09128	2.3
398.15042	2.3
399.00980	2.8
399.12216	3.1
399.16656	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	398.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	15.7
66.01112	1.1
69.73880	2.2
69.74277	2.0
76.85031	1.0
82.00597	8.9
86.06120	1.4
89.75190	1.0
92.99826	2.8
95.01416	1.2
96.99320	4.9
108.99316	1.6
110.00106	58.4
120.99319	2.3
122.00191	1.2
123.00882	2.4
124.01717	1.2
131.39751	1.1
136.98820	15.8
137.99603	18.5
164.98302	35.0
165.99083	48.8
169.06602	1.2
173.06009	1.4
178.99829	3.0
197.06038	1.5
199.04111	2.3
213.05592	2.3
214.06367	1.7
225.05676	1.3
227.03635	1.6
241.05070	10.3
242.05833	3.6
243.06618	5.3
269.04553	100.0
270.05295	59.4
271.06094	20.5
338.10364	8.5
356.11288	1.3
380.12424	2.6
398.13574	19.7
399.13840	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	398.1358
Annotation	Pelagiomicin A
Peak:m/z	Relative Intensity
60.01097	0.6
61.96537	0.8
65.00327	13.1
68.99814	0.8
69.95458	2.0
72.99295	0.8
82.00604	6.4
83.09023	0.7
92.99810	2.0
96.99300	3.1
108.99333	0.8
110.00108	41.5
110.07243	0.6
111.00893	0.9
120.99342	2.0
123.00922	3.5
124.01662	1.1
128.08310	1.0
136.98837	10.3
137.99619	14.2
139.00301	0.9
164.96892	1.1
164.98302	28.4
165.99094	38.9
166.99544	1.0
169.06566	0.8
171.04533	0.9
177.99078	1.6
178.99876	1.9
181.06648	1.3
197.05966	0.8
199.04041	1.6
213.05611	3.2
214.06355	2.1
225.05637	0.8
226.06142	0.7
227.03488	1.3
227.06967	1.2
241.05092	7.3
242.05809	3.8
243.06590	4.0
253.05086	1.2
269.04568	100.0
270.05298	56.1
271.06082	18.1
272.06461	1.1
292.09222	1.0
338.10379	10.7
339.10696	1.2
356.11401	1.0
380.12708	1.5
393.31650	0.6
398.13556	19.2
399.13821	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	398.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42886	0.8
51.51430	0.7
54.22890	0.8
65.00333	13.5
69.73340	1.5
69.73722	1.8
70.00087	0.8
70.92123	0.8
71.01402	0.9
72.99314	0.9
82.00617	3.2
87.96317	0.8
92.99831	2.3
95.01383	1.1
96.99326	3.3
105.07196	0.8
109.11616	0.7
110.00107	38.9
113.89465	0.8
115.81049	0.9
119.05059	5.2
120.99332	2.2
123.00883	2.4
124.01691	1.2
128.08295	1.3
135.03281	0.9
135.04549	1.0
136.00398	1.0
136.98820	14.1
137.01157	0.9
137.02452	0.9
137.99619	11.0
143.05009	1.3
151.00429	0.9
151.02754	1.0
164.98308	30.7
165.00667	3.2
165.99086	35.2
169.06592	1.1
171.04503	2.0
173.06091	1.3
177.02022	0.9
177.99142	1.7
178.99870	2.8
181.06621	0.8
185.06140	1.0
188.59352	0.7
199.04060	1.7
201.95125	0.8
213.05600	3.1
214.06235	1.4
220.02626	1.1
225.05528	2.0
227.03526	1.2
227.07149	1.7
234.04245	1.7
236.01845	0.8
241.05127	7.5
242.05818	2.1
242.08273	5.3
243.06569	5.1
246.05447	1.0
255.06458	0.9
268.06110	1.6
269.04556	100.0
270.05280	51.8
270.07834	11.0
271.06055	17.3
272.06503	1.8
296.09109	1.0
322.07175	0.8
338.06732	1.5
338.10440	9.6
339.10727	0.9
355.12912	1.6
356.11041	1.0
380.12531	4.8
381.11032	2.2
398.05032	1.1
398.09183	1.7
398.13559	23.9
399.11838	11.4
402.44269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.8
53.46231	0.7
60.91980	0.8
65.00328	17.0
65.99841	1.2
68.99812	4.0
71.41004	1.0
82.00619	5.0
92.99837	1.8
94.00629	0.9
95.01411	1.4
96.99313	5.9
103.03770	0.8
105.03486	1.4
106.02985	1.9
109.02945	1.3
110.00106	46.4
110.02515	0.9
117.02479	0.7
117.03428	1.6
117.68566	0.7
119.05029	7.0
120.99351	2.7
121.03024	0.9
122.02539	0.9
123.00912	2.4
124.01672	1.3
128.08295	1.1
129.01939	2.9
133.02945	2.9
134.02460	1.1
135.04523	2.5
136.00409	3.1
136.98834	11.4
137.02451	0.9
137.99614	13.3
143.05035	7.4
146.02467	0.8
149.02446	2.5
150.01945	1.2
151.00365	1.2
152.01135	1.1
153.01953	1.6
161.02449	1.5
162.02032	1.1
163.99918	2.7
164.07135	1.3
164.98311	30.3
165.00629	2.5
165.99092	33.8
166.05049	1.3
166.99548	1.7
169.06549	1.8
171.04549	2.5
173.06094	1.2
175.99907	0.8
176.03548	2.8
177.01926	2.4
177.99036	1.3
178.99826	2.1
181.06499	1.3
183.04591	0.9
185.05989	0.9
192.03011	1.5
192.06726	0.8
197.06062	1.0
199.03952	1.5
199.07701	0.8
205.04958	0.9
207.08212	1.2
208.06178	2.2
210.04044	1.4
213.05627	2.5
214.06253	2.1
220.02534	3.5
224.54976	0.8
225.05609	2.5
227.03352	0.9
234.04016	2.0
236.05623	1.3
241.05081	7.7
242.05972	1.5
242.08295	3.6
243.06633	3.5
251.07156	0.9
252.05153	2.5
253.05124	1.2
255.06447	1.0
267.06390	1.0
268.06125	5.5
269.04559	100.0
270.05261	53.9
270.07822	6.9
271.06033	20.5
272.06384	1.0
282.07834	1.1
294.07770	2.7
295.05756	0.9
317.16748	0.8
322.07291	3.6
338.06567	3.7
338.10364	10.5
339.10895	1.2
366.06134	6.5
366.09958	1.7
380.12512	4.8
381.11115	1.1
398.08786	5.5
398.13556	21.4
399.12189	7.5
422.02579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10403	0.8
65.00328	16.4
72.99306	0.9
82.00607	7.3
92.99832	1.7
93.03476	1.9
96.99339	4.1
105.03484	1.4
106.02969	1.0
109.02941	1.3
110.00109	45.6
119.05036	12.2
120.05429	1.0
120.99340	1.5
121.02977	1.4
123.00883	4.3
128.08359	0.9
133.02971	2.5
136.98819	12.0
137.99605	12.0
139.00323	0.9
143.05034	9.5
149.02489	2.0
164.98300	32.8
165.99088	37.3
166.99516	1.9
169.06631	1.2
171.04517	2.0
173.06180	1.3
176.03522	4.5
177.01964	3.0
177.99074	1.8
178.99889	2.7
181.06616	1.2
185.06178	1.0
192.03050	1.6
193.01515	1.0
199.04036	2.2
207.03104	1.2
208.06181	1.0
210.04118	1.0
213.05588	3.6
214.06329	2.9
214.43549	1.0
220.02480	2.8
221.09825	0.9
225.05544	1.7
227.03326	1.0
227.07153	1.2
234.04121	1.9
241.05003	10.0
242.05873	1.9
243.06685	3.6
251.07050	1.5
252.05145	3.4
253.05305	1.1
269.04562	100.0
270.05289	53.6
271.06049	17.3
272.06558	1.0
277.04816	1.3
303.54398	0.8
322.07199	1.0
327.08960	1.0
338.06564	2.1
338.10397	8.5
339.10510	1.2
354.14529	1.3
366.06097	2.9
380.12427	3.1
398.08786	3.2
398.13510	22.2
399.13654	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71255	56.7
66.95901	52.2
70.52354	100.0
79.60622	51.9
93.46231	50.0
119.97282	51.9
242.98087	67.7
247.20724	65.3
252.84273	58.0
345.31796	66.3
371.13461	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1
Annotation	S-Acetylphosphopantetheine
Peak:m/z	Relative Intensity
53.80574	0.2
56.83419	0.3
56.86699	0.2
58.43434	0.3
59.01385	3.3
61.98848	0.4
67.76653	0.2
70.22059	0.6
71.01395	1.4
74.99126	0.6
75.90342	0.2
77.85629	0.3
78.95914	100.0
80.36423	0.3
85.02937	0.4
89.02477	1.3
96.96975	27.0
98.22031	0.3
101.02447	0.7
101.04344	0.7
113.02478	0.4
119.03537	0.5
135.04532	0.9
146.55560	0.2
152.89001	0.2
169.09744	0.3
179.05612	0.3
179.38451	0.2
208.03856	0.3
251.57120	0.3
280.05762	0.8
323.10214	1.5
339.07813	0.9
357.08939	13.9
358.09225	1.3
399.09811	23.4
400.10083	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26594	0.5
58.66488	0.5
59.01389	5.0
69.14152	3.2
71.01403	1.2
74.99092	0.8
78.95913	100.0
85.02950	0.6
89.02449	1.2
96.96976	28.3
98.21922	1.3
101.02479	0.7
113.02402	1.1
114.05609	1.0
119.03546	0.8
119.05051	0.5
129.10339	0.8
135.04544	5.2
186.12590	0.6
208.63385	0.5
235.02864	0.5
323.09933	0.6
339.07843	0.9
357.08914	17.3
358.09094	1.5
399.09906	27.1
399.18561	1.2
400.10126	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	399.1089
Annotation	4'-Demethylpodophyllotoxin
Peak:m/z	Relative Intensity
51.19228	1.3
53.65479	1.4
65.00327	2.3
67.01907	2.8
68.99834	2.8
69.03453	4.1
69.61905	3.3
69.62289	3.3
93.03477	9.2
95.01415	6.0
95.05038	1.9
97.06606	7.9
99.04530	1.8
107.05025	6.7
109.02924	2.2
109.06635	1.7
111.00898	2.4
117.03483	100.0
118.03815	3.8
119.05040	2.1
121.02993	2.1
121.06592	4.4
123.04569	10.8
123.08181	2.6
124.50124	1.4
133.06607	1.8
135.00903	8.9
135.04553	10.2
137.02426	1.7
137.06105	1.5
139.00407	11.0
140.01117	8.2
145.02959	6.9
145.06630	2.8
149.06087	13.6
151.04060	1.8
151.07639	5.1
158.03789	2.0
159.04556	20.2
160.05150	1.6
161.02470	3.9
163.07674	2.3
164.04784	1.9
165.05574	3.4
167.07123	2.0
173.06090	10.1
175.07680	3.6
177.05659	1.9
185.02505	8.2
187.04121	2.1
189.09148	2.5
191.07092	7.1
193.05057	8.7
193.08804	1.7
195.06589	3.6
201.05595	2.2
209.08099	1.8
211.04008	3.0
213.05612	1.8
217.05092	1.5
217.08701	5.5
219.06631	2.6
222.06938	2.3
223.07643	1.7
224.51968	1.5
227.07162	4.0
235.09758	13.0
237.05597	3.6
237.07695	36.3
239.03482	2.2
239.07153	2.0
241.05060	3.0
241.08733	1.8
248.87518	1.5
249.09258	1.9
253.05180	2.1
255.06697	2.2
257.04785	1.7
261.07693	6.5
264.04288	5.2
265.05060	5.2
265.08688	5.1
267.06766	1.5
267.10324	6.3
279.08813	24.5
280.08917	1.5
281.08240	2.9
283.10074	1.5
283.13382	2.3
293.08279	16.0
293.11530	3.2
294.08865	2.1
309.11343	3.1
311.09296	10.2
311.12723	3.0
337.10880	17.1
338.11404	2.4
355.11911	65.0
356.12305	5.4
381.09857	8.3
382.10147	1.5
399.10892	54.2
400.11334	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	399.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90900	1.9
57.03438	2.4
59.01386	2.7
67.01889	2.8
68.99819	4.7
69.03458	4.5
69.37574	4.1
69.37957	4.7
71.01414	3.2
73.02937	2.9
77.08170	1.8
80.56049	1.9
81.03453	2.8
83.01382	3.4
85.02953	3.0
93.03462	13.2
95.01414	19.3
95.05037	3.0
97.06601	7.7
99.04478	2.4
101.02418	2.2
101.23211	2.0
107.05061	13.1
109.02961	6.1
109.06605	2.7
111.00890	6.3
113.02467	3.8
114.02014	2.1
117.02650	3.8
117.03477	70.6
118.03835	4.9
119.05019	3.0
121.02959	3.1
121.06625	5.3
123.04532	14.5
123.08173	3.0
129.10347	1.8
133.06573	2.8
134.03763	2.3
135.00903	2.6
135.04541	64.2
136.05359	4.9
137.02470	7.6
137.06100	3.5
139.00392	25.5
139.04036	2.8
140.01189	20.0
145.02861	2.0
145.06592	2.1
147.04501	2.3
147.08157	3.3
149.06104	22.8
151.04027	4.9
151.07666	8.7
159.04515	9.8
161.02472	10.2
163.07654	3.8
164.01193	3.0
164.04836	4.7
165.05559	5.3
165.09213	4.1
167.07161	5.3
173.06085	8.3
175.07643	9.9
183.57759	1.9
185.02422	4.3
187.04021	5.0
191.07172	12.0
193.05078	19.6
193.08727	8.0
195.06628	3.3
201.05589	5.1
213.05524	2.8
217.05092	2.5
217.08624	4.8
219.06651	8.7
227.07211	3.4
235.06165	2.8
235.09802	6.0
237.05696	3.5
237.07692	100.0
238.08087	9.0
240.04488	2.5
241.05179	2.7
242.18805	3.2
243.06720	3.1
251.11391	5.7
257.04773	2.0
261.07663	6.7
264.04245	2.9
265.08807	2.7
267.10300	3.4
279.08759	73.0
280.09149	6.2
283.09537	2.3
293.08176	8.8
309.11319	2.2
311.09268	16.7
319.09998	2.3
337.10938	14.8
355.11917	59.0
356.12140	7.2
381.09833	9.6
399.10870	92.7
400.11349	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	399.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95302	0.5
64.58966	0.4
65.00315	1.3
65.99856	4.0
68.99802	1.3
69.16802	2.7
81.02198	1.5
85.08336	0.4
88.83136	0.6
91.54305	0.4
94.03016	0.6
95.01390	0.6
96.00925	2.0
97.01668	0.6
98.02473	1.5
108.00935	0.9
108.64440	0.5
109.01696	5.2
110.00088	2.3
110.02489	3.2
112.04024	0.7
117.21146	0.4
120.00916	2.4
121.01743	3.6
122.02511	1.2
123.00871	0.5
123.03286	4.8
128.03557	2.8
134.02524	3.5
135.03316	6.6
136.00432	6.1
137.01227	2.9
137.99580	0.6
138.01982	1.9
139.02696	0.5
150.01973	1.0
151.02779	5.1
155.02226	1.0
163.99899	2.7
165.00694	22.3
165.98929	0.7
166.01382	2.0
166.05188	1.1
168.02855	0.4
171.04395	0.6
178.01448	1.0
179.02283	0.7
181.03761	0.5
183.07936	0.9
192.03046	3.2
197.06207	0.5
199.07658	0.7
200.07155	1.1
224.07242	0.9
226.08627	3.2
227.07170	0.7
228.06700	1.7
240.06650	1.1
241.07382	1.4
242.08250	45.5
243.08617	3.7
252.06657	1.5
254.05899	0.7
254.08261	1.7
262.31253	0.5
268.06177	7.2
269.06952	16.2
270.07724	100.0
271.05502	0.9
271.08124	9.2
272.09238	1.4
337.12003	3.7
338.10403	1.6
355.13040	9.3
356.13077	1.1
381.10938	13.2
382.10892	2.0
397.77100	0.6
399.11990	72.0
400.12329	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	399.1239
Annotation	Lophirone J
Peak:m/z	Relative Intensity
54.59511	0.6
55.89116	0.5
57.20146	0.5
57.97546	1.5
65.00333	4.8
67.15585	0.5
68.99815	2.0
69.36857	2.2
69.69297	0.5
74.00188	0.6
83.01385	0.8
86.40305	0.6
91.26392	0.6
95.01379	1.1
96.99294	0.7
97.02916	0.9
98.21851	1.1
106.00623	0.5
108.02188	1.0
110.00093	1.0
113.01451	0.6
117.03483	1.1
119.03610	0.5
123.00870	1.4
129.07092	0.8
130.85434	0.5
132.02209	0.5
133.02933	0.5
134.00116	1.4
135.00856	1.1
136.00467	0.9
136.01659	2.7
136.98808	0.8
141.07088	2.0
143.05019	1.4
145.06612	2.6
147.04544	0.7
157.06596	6.3
161.99646	0.8
163.00334	2.4
163.01324	0.9
164.01173	2.9
165.00714	2.1
169.06595	1.6
170.01001	4.2
171.04538	4.3
173.06071	0.9
176.01199	1.7
180.05801	0.6
181.06555	1.1
182.01010	2.6
183.01749	16.2
183.08212	3.2
184.05293	1.8
185.06090	7.2
189.99080	5.2
190.99779	1.2
195.08167	0.7
197.06145	0.9
197.09743	0.7
199.07668	1.4
202.99815	0.5
204.00824	0.9
207.08212	0.8
209.06082	2.9
210.06877	1.4
217.98611	2.5
223.07616	1.9
225.05534	1.8
225.09163	3.4
227.07178	9.2
239.07150	1.3
240.07903	0.7
242.08234	3.0
243.99005	4.1
249.95857	28.9
250.96156	1.7
251.07182	2.5
253.05167	1.2
266.05865	1.2
267.06638	4.6
267.99127	3.2
268.06601	1.1
269.04556	4.9
269.07101	1.3
270.04907	1.7
270.07751	7.5
271.05658	1.0
271.98395	0.9
277.95343	12.1
280.95789	1.9
285.13107	0.6
287.96237	1.3
291.02835	0.9
294.05365	4.2
295.06046	4.4
313.12430	0.9
321.07660	1.8
329.95963	45.0
330.96210	3.7
355.13266	1.8
356.78922	0.5
357.11368	1.0
371.13019	0.9
381.11057	1.7
398.95480	6.7
399.12366	100.0
399.96497	0.7
400.12708	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	399.2026
Annotation	Cinncassiol B
Peak:m/z	Relative Intensity
50.86655	0.6
52.62813	0.5
56.80157	0.7
57.03452	3.8
58.00593	0.9
59.01371	2.2
69.03447	1.6
69.35506	1.8
69.35897	1.1
71.01388	8.7
71.05026	13.6
72.02180	3.0
73.02959	4.6
79.83662	0.6
83.05038	0.8
85.02969	2.9
87.04537	0.9
95.01386	0.9
97.02969	1.1
97.06581	2.9
98.22613	1.3
99.00892	1.4
99.04533	0.8
107.05039	1.7
109.06614	2.1
111.08158	1.3
115.53756	0.5
121.06599	1.4
123.04524	2.7
123.08165	1.2
125.06081	1.3
125.09747	3.0
125.99596	1.1
134.03716	0.8
135.04535	28.3
135.08139	0.7
136.04854	1.1
137.09705	2.4
139.11320	1.5
149.06061	1.5
151.07640	1.0
151.11311	1.2
153.09299	0.6
153.12854	1.3
165.12860	0.7
175.07669	0.7
179.14436	0.7
181.16040	0.5
191.07082	1.1
191.14378	1.0
193.05099	2.1
193.12369	1.2
195.06697	2.2
205.16069	0.7
207.13927	1.6
209.15512	2.1
217.15988	1.1
219.06631	0.7
219.17540	1.2
221.15402	0.8
237.07729	8.3
247.17128	1.6
249.18636	2.4
259.17151	1.2
265.18109	3.4
267.19763	1.2
275.20200	1.0
277.18051	3.0
279.08762	5.6
291.19757	0.8
293.21176	2.5
305.46362	0.6
337.20291	4.3
355.21271	47.8
356.21585	5.2
399.10986	8.3
399.20248	100.0
400.11996	0.7
400.20599	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	400.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34566	3.3
59.01387	42.1
63.23447	3.3
65.83195	3.2
71.01385	30.1
72.32073	3.4
73.02956	13.8
81.03465	7.4
83.01418	5.6
85.02952	12.9
87.00837	3.8
89.02460	17.9
90.03503	6.1
91.01910	5.7
93.03468	5.6
95.01367	4.7
95.05060	4.3
96.96013	5.6
97.02944	4.6
98.21854	11.2
99.00892	5.4
101.02475	28.1
101.03897	3.1
105.03455	6.4
106.03030	3.3
107.05029	5.2
108.02154	5.3
108.04572	8.8
109.02967	33.1
110.02515	4.5
111.00867	7.4
113.02465	11.5
117.03470	12.8
119.01414	27.1
121.02956	4.6
123.04520	11.5
125.02399	6.0
131.03482	9.8
133.03009	19.5
134.02496	23.8
134.03722	16.4
135.04543	57.4
136.04886	4.8
138.01971	9.7
146.81172	3.7
149.02420	10.3
150.05598	8.6
151.04073	28.1
152.03506	7.3
158.03763	25.8
159.04533	42.9
160.19426	3.7
161.01134	4.1
161.02452	73.0
161.04573	9.7
162.01956	87.4
162.03200	5.3
163.00403	21.0
163.02266	5.4
167.03464	5.0
175.04024	6.2
176.03517	12.9
177.01952	33.0
177.05580	4.3
178.01456	15.7
178.05814	4.3
189.05591	4.9
191.03481	12.2
194.04587	49.2
195.02882	6.2
196.02498	12.3
201.01845	3.6
203.03525	8.5
206.00923	19.9
207.04558	7.2
209.06088	6.5
220.02463	6.8
225.05521	3.6
234.03966	3.7
237.05565	14.3
238.03638	14.6
239.03690	6.0
246.29277	3.8
257.94864	3.3
263.03412	11.1
269.10220	17.7
278.03168	4.1
280.06259	5.0
281.04617	5.4
307.02502	5.3
313.07104	4.1
324.05209	18.8
338.06805	4.6
340.04605	12.2
356.07666	15.0
357.06244	6.8
368.04047	28.0
369.04251	5.5
382.09341	7.1
400.06650	100.0
401.06680	7.6
401.14490	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	400.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13124	1.6
55.01885	1.8
57.03442	2.9
59.01388	15.3
63.02423	1.6
65.99837	1.5
69.52334	6.3
71.01379	15.7
72.99284	1.7
73.02948	8.2
75.00912	1.8
79.95766	1.8
82.48304	1.5
83.01386	5.0
85.02950	5.7
87.00968	1.9
89.02444	3.9
90.03529	8.1
91.01887	5.5
93.03473	2.1
94.10299	1.5
95.01409	5.8
96.95997	2.1
97.02956	2.0
99.00864	2.9
100.75254	1.7
101.02453	11.8
107.05048	2.5
108.02175	2.3
108.16164	1.5
109.02975	4.1
111.00870	2.1
113.02457	8.8
117.03486	12.7
118.03027	4.1
119.01401	22.5
119.05026	3.0
123.04560	2.5
125.02421	3.5
131.05022	1.9
133.02968	12.0
134.02495	22.0
134.03700	5.0
135.00882	3.3
135.04527	29.6
136.04883	2.6
138.01956	9.7
139.00386	2.4
149.02425	4.0
151.04034	5.5
151.11464	1.6
153.01929	3.1
158.03738	23.6
159.04533	45.4
160.00432	2.0
161.01128	4.2
161.02464	67.7
161.04431	10.8
162.01958	100.0
163.00377	16.6
163.02356	4.0
163.99890	4.5
165.05479	1.8
167.03590	2.1
167.05028	2.4
178.01448	13.3
183.04494	1.9
185.06114	2.0
186.02010	2.4
191.05022	2.2
194.04567	8.0
195.02965	6.5
195.04623	3.3
196.02469	14.7
197.06151	2.5
203.03575	8.7
206.00983	19.5
207.04529	5.8
209.04343	1.7
209.06081	7.4
219.04469	2.2
222.00481	4.9
225.05618	1.7
234.03433	2.6
235.04182	9.7
236.04785	1.8
236.07190	3.0
237.05582	13.3
238.03589	14.4
238.05838	3.0
239.03532	2.4
251.03519	2.8
253.05086	2.8
256.06180	2.9
263.03497	11.4
269.10349	17.1
276.28802	1.8
278.03140	3.5
279.02951	1.9
279.51312	1.8
280.06137	4.5
281.04654	4.1
296.05502	2.0
307.02515	4.6
324.05139	21.0
340.04736	13.8
357.06067	5.0
368.04150	38.8
369.04526	4.5
372.07224	3.4
400.06766	61.1
400.11630	2.8
401.07050	7.0
401.14594	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45083	0.3
59.01632	0.3
64.01923	3.8
65.00299	0.6
65.99853	34.8
67.00187	0.7
68.99828	0.4
70.28710	0.7
75.48076	0.3
82.36924	0.4
88.01932	2.2
89.99865	1.2
91.70214	0.3
98.21847	0.4
105.02183	0.8
108.00923	3.3
119.00055	0.5
121.02969	1.1
129.65356	0.3
132.00952	1.8
133.01717	2.1
141.07019	0.3
145.06691	0.5
148.00418	1.0
160.69911	0.3
161.01123	0.9
166.32257	0.4
169.06593	1.1
171.04524	4.1
175.99898	22.3
177.00235	0.8
177.01958	0.4
189.00690	2.5
192.91513	0.3
194.06070	0.5
202.01465	0.3
208.07672	1.4
210.05641	1.0
212.07362	0.3
213.05556	0.9
236.07185	1.2
237.01877	0.6
238.05145	4.1
252.06633	1.0
270.07687	0.4
271.05536	0.4
271.08167	0.9
280.06168	100.0
281.06494	9.6
295.98325	1.5
296.02045	1.8
297.03958	0.4
400.08353	4.4
400.12643	0.5
401.09042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95840	3.8
57.65011	3.8
58.02971	3.7
59.01374	12.6
65.00318	14.5
68.99825	91.9
71.01381	12.5
75.00882	10.0
81.03464	7.3
82.02979	11.1
83.01406	9.2
87.95718	5.3
92.99815	5.9
97.02962	8.3
98.02486	10.4
99.00894	27.6
101.02456	96.4
106.03004	11.4
107.01409	6.9
109.01673	7.1
109.02999	4.6
110.02475	6.7
112.07677	8.3
119.05012	13.1
121.02961	6.1
123.00904	15.8
125.02459	9.4
126.01980	12.1
134.02477	6.4
136.00401	13.5
136.03958	5.9
139.04024	7.8
145.06602	10.2
147.04547	6.2
148.01704	11.6
149.02386	8.6
150.01973	16.5
151.02608	7.5
152.03474	4.2
152.08401	5.1
153.05598	7.0
163.99907	13.6
165.00684	22.3
167.03551	4.9
171.04514	13.8
174.01878	4.2
175.00388	9.7
177.01913	4.9
178.01495	17.6
181.05077	25.7
184.06172	12.5
189.05502	13.7
191.03464	9.4
193.01483	9.5
194.99338	19.6
206.04553	4.8
207.03015	12.8
209.09586	4.6
210.04091	20.8
211.07593	7.4
213.05579	20.9
218.00854	4.9
220.02487	7.7
225.04123	5.6
234.04309	6.0
235.07628	9.0
237.09409	5.6
240.06703	7.0
242.08231	19.2
245.08223	9.7
250.03583	11.8
254.08287	6.9
255.06674	5.0
256.09824	9.1
263.02072	7.2
263.07077	6.4
268.06180	41.9
268.08856	4.8
268.09793	4.2
269.07043	21.3
270.04962	8.8
270.07690	49.7
271.05386	9.0
271.08157	7.9
272.05826	5.0
273.07730	29.0
275.65598	4.6
279.06638	17.5
281.08209	6.8
282.07767	42.3
283.08069	6.8
284.09262	14.1
295.09851	25.4
298.07239	12.3
299.05676	15.6
310.07248	100.0
311.07407	7.7
312.09064	5.8
322.07281	21.2
324.08661	13.1
328.08353	51.1
340.08017	7.9
354.09854	56.8
356.07730	21.2
356.11502	6.8
358.53979	5.4
368.07852	12.0
382.09384	36.8
400.05936	7.0
400.10419	56.1
400.14902	7.6
401.10999	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	400.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85828	1.3
61.38374	1.5
65.00311	4.5
65.99847	1.6
66.34495	1.3
68.99816	3.1
69.31066	1.7
71.40830	1.4
73.15286	1.4
81.03460	9.5
82.02988	4.0
83.01398	4.1
93.03455	4.5
95.05045	2.4
98.02454	3.5
98.22540	1.6
99.92586	6.4
101.02450	1.5
102.01971	2.4
103.95052	1.7
105.03458	5.7
106.02951	1.8
107.01381	2.9
109.02975	9.0
110.00135	2.3
110.02499	2.9
112.00403	1.4
119.05031	4.9
120.04562	3.7
121.02973	15.1
123.00838	2.0
123.03265	3.0
123.04512	4.3
124.03215	2.2
124.04066	27.3
126.01951	3.2
130.04208	1.4
133.02965	8.6
135.00906	2.3
135.04529	2.2
136.00339	2.1
136.98810	2.0
138.01945	2.2
140.03537	1.8
140.05859	1.7
141.07027	3.8
142.71922	1.7
145.06602	8.6
147.00879	2.4
147.04506	6.9
148.04059	6.5
149.02480	13.2
150.01953	7.0
152.03543	14.0
162.01991	2.9
163.47957	1.4
164.49365	1.5
167.03485	4.3
171.04593	7.4
171.05775	1.6
173.06041	5.6
174.01964	1.9
175.04021	3.4
176.03514	11.1
177.01904	3.0
178.01440	5.2
183.08156	4.2
184.06203	2.0
185.06215	2.0
190.05115	4.1
202.01483	10.2
209.09677	5.1
211.07635	5.2
212.07060	2.2
213.05634	3.6
214.08737	2.6
218.04565	4.5
218.97523	2.9
220.02461	2.0
226.08823	7.4
227.09174	2.0
235.07555	2.9
237.08975	1.7
242.08295	7.0
243.08623	3.1
253.08740	11.0
254.08722	1.6
268.06415	2.1
269.07034	1.8
270.05057	3.0
270.07666	14.2
271.05386	3.5
271.08041	5.0
271.81708	1.5
272.06058	2.5
281.08249	4.1
296.09277	26.4
297.09549	2.2
306.07581	7.6
312.08832	3.6
313.07059	2.4
324.08807	41.8
325.09116	2.7
338.10376	5.7
368.07687	10.0
391.50320	1.7
400.10345	100.0
400.99536	4.1
401.10687	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	400.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	2.8
68.99815	5.9
69.03451	1.8
69.86276	5.6
81.03473	8.8
82.02939	2.6
82.99349	1.7
86.45546	1.5
91.01899	1.7
92.02678	1.4
92.99805	3.2
93.03457	1.4
94.47607	1.5
97.02972	3.6
98.21917	1.6
99.00890	12.2
103.01913	9.5
105.03471	2.2
105.07812	1.8
107.01398	15.4
107.05027	1.9
108.02194	2.0
109.02965	2.9
117.03333	1.4
119.01380	5.4
119.05005	4.4
120.02190	2.8
121.02953	4.9
123.00913	12.8
123.04533	2.1
124.01643	5.1
125.02461	1.9
131.01405	17.6
133.02951	1.8
135.04498	2.1
139.03993	6.7
140.03564	2.4
143.23421	1.6
144.39186	1.9
147.00880	20.6
148.01694	15.3
149.02469	9.6
150.01993	9.1
158.00334	1.8
159.00856	1.4
163.04018	1.9
164.98228	2.3
171.04533	10.8
173.06093	2.0
173.99541	1.9
175.00365	62.1
176.00729	2.8
176.04796	2.6
177.02007	2.8
179.03349	1.8
179.08611	2.8
192.25310	1.7
193.01404	4.7
194.99382	20.4
200.98267	3.3
207.03004	41.5
207.08141	11.7
208.03180	2.2
209.06055	3.5
211.07634	5.5
218.00912	4.5
223.07652	1.9
225.04012	12.7
235.07642	15.1
236.04922	1.4
236.07841	3.3
237.05589	10.3
245.08118	8.8
245.10251	1.4
250.06325	1.6
251.07155	9.2
253.08679	4.1
267.02930	2.7
269.04486	4.9
269.08182	4.0
270.05054	1.9
270.65302	1.5
278.03058	6.9
279.06635	100.0
280.06976	10.0
280.09537	1.9
287.66391	1.8
299.05612	18.4
300.05875	2.6
305.04514	2.1
311.09268	83.9
312.09583	8.5
322.07257	8.8
336.08710	2.2
337.07370	2.0
350.06735	12.4
354.09891	3.1
382.09317	70.3
383.09543	8.2
400.06018	2.0
400.10474	22.8
401.10715	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	400.104
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	2.1
68.99828	2.0
69.09046	6.5
70.28490	0.8
75.00877	6.6
77.03976	3.3
81.03468	6.2
82.02992	1.3
83.01387	1.3
88.04054	1.7
94.03026	1.0
95.05041	3.9
97.02932	1.7
99.00877	1.4
103.00389	5.6
104.05012	1.1
105.03470	10.9
109.02956	2.8
120.04581	13.5
124.04082	2.1
133.02994	5.0
135.71729	0.9
136.98859	1.1
140.07150	1.3
145.06613	2.1
147.04520	1.1
148.04063	59.4
149.02420	1.5
149.04390	3.0
152.03572	1.5
159.00848	2.3
161.06091	1.4
169.06633	1.1
171.04561	5.3
173.06012	2.1
176.01129	1.4
176.03500	4.5
177.01967	3.8
184.06195	1.2
190.05154	0.9
191.08684	2.9
194.04514	1.5
201.05684	1.3
202.01465	1.3
207.08316	1.0
211.59506	0.9
213.05647	1.0
218.04608	2.3
220.02528	100.0
221.02802	6.0
227.07047	1.0
228.05223	1.4
237.05331	1.0
237.09076	1.1
238.06334	1.2
239.07152	2.5
243.06602	1.8
253.08751	1.3
267.06610	1.7
271.05228	1.9
278.25613	1.1
279.29370	0.9
281.08304	1.1
282.07715	1.7
295.09796	8.3
296.09201	1.8
298.79935	1.0
324.08810	74.8
325.09137	9.1
328.11899	2.1
339.12418	1.8
356.11298	2.8
356.15131	1.4
382.09079	1.6
400.10229	3.3
401.09052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11877	1.7
56.77792	1.8
57.43704	1.9
65.00317	4.9
65.99848	2.2
67.01865	1.9
68.99819	2.3
69.73451	2.4
69.73811	4.7
81.03455	10.8
81.12976	2.0
82.02981	3.7
83.01397	3.2
93.03448	3.3
93.20428	1.7
95.05016	3.4
98.02493	4.6
102.01991	1.5
105.03436	5.3
106.02982	3.6
107.01404	3.4
109.02990	11.1
110.02512	3.7
119.05029	4.7
121.01630	1.7
121.02969	9.6
123.04539	4.4
124.04060	25.5
126.01970	3.1
130.04224	1.9
131.05052	1.8
133.02950	4.4
137.06096	2.1
138.01903	2.0
139.03986	2.5
141.89514	1.7
145.06606	7.4
147.04514	6.5
148.01744	1.9
148.04037	8.1
149.02461	10.0
150.01968	7.3
151.02704	1.8
152.03557	19.1
159.00793	2.4
164.03564	2.8
167.03490	2.7
168.03088	1.7
169.06554	2.6
171.04533	9.2
173.06029	4.7
175.04042	2.9
176.03516	12.5
177.03925	1.8
178.01547	3.7
183.08173	4.9
185.06140	2.6
187.07622	1.8
190.05139	3.8
202.01508	15.1
209.09796	4.2
211.07809	3.7
212.07185	2.9
213.05602	4.7
214.08823	2.0
218.04556	3.2
218.18945	1.8
220.02597	1.7
225.09108	1.7
226.08849	8.3
226.94395	1.7
235.07709	3.6
242.08220	3.6
253.04922	2.4
253.08836	9.5
254.08205	2.7
263.07263	2.6
268.06271	3.4
270.07727	7.6
271.08188	4.8
280.06134	4.8
281.08209	4.0
294.11459	2.5
296.09335	23.2
306.07642	5.9
324.08777	41.9
325.09268	3.6
338.10318	15.9
340.08264	3.4
356.11334	7.1
356.15338	2.5
368.07797	12.5
382.09305	11.4
383.09689	1.8
400.10349	100.0
401.10876	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	400.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
59.01385	18.2
65.00329	3.9
67.01904	1.9
68.99815	3.2
71.01385	7.3
72.99328	2.1
73.02953	3.4
75.00866	1.8
79.95758	8.3
80.96545	3.2
81.03462	4.9
82.02995	13.8
83.01396	12.8
85.02953	6.0
87.00916	1.6
89.02422	1.5
92.05078	2.0
93.03473	6.8
95.01366	1.5
96.96027	4.6
97.02974	2.5
98.02477	6.9
99.00887	3.2
101.02460	5.0
101.04001	1.6
105.03478	1.7
107.05025	2.7
108.04597	2.0
109.02952	3.9
109.06602	5.1
110.00083	1.7
110.02483	4.3
111.00903	3.5
111.04545	3.5
112.43476	1.4
113.02462	4.4
117.03471	4.7
119.05042	21.7
120.05500	1.5
121.02969	3.3
123.04539	7.0
124.01652	1.8
124.04005	2.3
125.02435	1.6
126.01990	6.0
128.03563	1.9
128.07179	6.4
133.02979	3.6
135.04512	6.4
136.04051	5.9
136.98877	1.8
137.02432	3.2
139.00346	1.5
139.03986	4.7
143.05045	4.0
145.06598	9.0
146.08269	4.2
147.04536	3.0
149.02518	3.1
151.00404	1.5
151.04034	3.9
152.03505	3.8
153.01976	2.5
154.01463	6.7
157.06592	1.6
161.02505	13.7
162.01909	2.1
164.07181	6.8
164.98291	3.0
165.01942	2.3
165.99101	2.6
167.03545	1.9
167.08673	1.8
169.06616	3.9
171.04541	26.7
172.04961	3.4
173.06094	3.0
174.07773	6.3
176.03600	2.4
177.01926	1.6
178.01518	1.7
180.03053	9.3
183.08194	5.6
185.06119	1.5
186.06886	2.3
191.08578	1.6
191.99411	2.3
195.04604	2.6
197.04514	2.1
204.03021	2.2
206.66490	1.5
207.08034	2.0
209.09746	5.2
210.06848	2.0
211.04254	1.9
211.07668	30.0
212.05717	2.3
212.07936	2.4
213.05592	3.6
225.09154	3.4
227.07153	1.9
228.98155	1.9
229.08754	3.2
235.07680	3.3
236.05627	2.8
237.05812	2.5
239.07216	2.5
241.05075	3.4
245.08197	1.5
251.07144	2.3
253.08719	19.5
254.06403	1.9
255.03070	4.1
255.06741	3.3
267.02975	7.3
269.10410	4.6
279.06616	6.4
282.07690	6.3
283.02478	10.0
296.09338	1.7
299.02487	2.0
299.05551	10.7
300.08798	5.0
306.01511	60.2
311.09192	4.9
321.03836	42.3
322.07230	2.0
350.06693	5.0
368.07852	7.8
382.09448	2.2
400.10400	100.0
400.99539	12.7
401.10068	13.6
401.15005	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	400.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14056	0.3
63.27759	0.4
65.00328	1.5
65.99853	1.4
68.99829	0.6
69.06020	2.1
69.06437	0.9
83.01395	0.7
96.00896	0.8
98.02477	3.1
98.22666	0.7
109.01710	1.8
110.00152	0.5
110.02511	0.7
114.91843	0.4
115.05569	0.9
117.03440	0.6
120.00957	1.0
121.01707	1.4
121.02979	1.2
122.02492	0.8
131.05052	1.4
134.02464	0.6
136.00395	1.1
137.01207	1.0
138.01871	0.4
141.07133	2.0
142.06606	1.9
143.05048	1.3
145.06537	0.6
146.06142	0.8
150.02008	0.9
156.08261	0.8
157.06644	0.6
158.06129	6.6
163.99875	1.3
165.00703	7.1
166.01340	0.5
169.06621	0.8
171.04524	2.1
173.06046	0.5
178.01517	0.5
181.06659	0.7
182.06157	0.9
184.07712	3.7
185.04698	0.7
185.06139	4.6
186.05620	35.3
187.06010	2.1
190.01431	0.7
191.02272	1.1
191.99431	0.4
192.02971	0.5
196.07777	0.6
199.03960	0.4
199.06326	0.5
200.07228	2.4
208.07697	0.9
209.06125	0.9
210.05704	1.2
211.03871	0.4
218.00980	1.0
224.07205	1.2
225.05681	0.4
225.07686	0.5
226.05121	1.2
226.08739	1.1
227.05826	0.7
228.06694	15.9
229.07057	0.9
234.05644	0.8
240.06679	1.4
241.07521	1.0
242.08270	1.4
243.08582	0.6
252.06674	1.7
254.04694	1.3
268.06140	4.8
269.06921	5.4
270.07684	3.7
271.08084	1.5
278.04462	0.6
290.12057	0.4
296.05661	6.1
297.05988	0.5
304.06100	0.6
313.07358	0.4
314.11945	0.5
322.07413	1.8
330.11377	1.1
340.09656	0.5
346.79315	0.4
354.11758	0.5
356.12924	0.6
358.11011	2.4
382.10965	0.8
400.11923	100.0
401.12354	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	400.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08982	1.3
58.42061	1.3
65.00318	1.3
66.72428	1.4
68.99809	2.8
69.15862	10.1
97.43781	1.5
110.00105	4.9
115.77843	1.4
116.05058	2.4
121.02979	6.4
140.05069	3.5
141.03461	1.7
141.07048	2.0
142.06622	4.0
168.04552	38.3
170.06137	42.6
171.04512	5.1
184.07724	4.0
185.49144	1.6
198.05594	6.6
201.05629	1.8
210.05644	1.9
212.03539	2.7
214.05098	6.0
228.06683	96.0
229.06926	5.9
238.04941	1.8
243.08502	2.3
266.08243	1.8
270.09525	3.0
271.07889	2.4
281.06970	1.7
296.05661	16.9
298.08771	2.3
299.09723	1.8
312.10367	1.7
357.11349	2.0
358.10849	12.4
400.11896	100.0
401.12357	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	400.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	55.7
61.98814	5.1
70.29412	8.5
71.01390	35.1
76.92889	5.2
78.95904	8.1
85.02927	7.6
89.02443	11.8
92.05061	16.4
96.96021	5.2
101.02451	14.1
113.02449	13.2
119.03532	5.3
120.04588	15.1
122.02506	4.7
125.87312	27.7
128.05058	7.2
130.06657	59.7
136.01683	11.5
141.86839	18.5
142.87616	21.8
144.04552	5.8
148.90979	16.8
151.04039	10.3
157.86354	11.2
158.06143	19.6
160.84187	7.9
176.07141	40.2
184.88612	4.9
192.06638	16.7
196.88683	6.4
202.05075	36.8
220.06139	12.2
340.00876	5.1
382.11325	15.8
399.87375	37.9
400.12494	100.0
400.87451	6.4
401.12668	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	400.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
61.77127	4.1
65.00327	9.4
69.43127	20.0
71.53275	3.8
74.15757	3.1
74.60869	3.9
75.07521	3.8
87.17577	3.8
89.63808	3.9
93.03455	6.3
95.01438	3.9
98.21877	7.2
110.00082	7.5
117.03442	17.9
118.03795	7.0
119.05045	47.3
121.02978	27.4
123.00931	5.4
125.09716	6.8
126.98123	3.8
135.04535	32.2
136.04858	17.6
136.98811	7.9
139.00404	4.8
151.00388	8.2
152.01207	5.7
163.00381	11.5
164.01015	6.1
164.98289	20.2
165.98990	8.4
166.99828	9.1
168.00073	5.2
178.99837	7.4
180.00461	6.3
184.04848	5.4
199.04007	5.0
228.03897	4.4
255.03053	8.0
256.03345	18.0
280.12851	7.2
283.02579	23.3
284.02902	40.0
285.04092	18.8
286.04858	22.4
301.03751	4.3
302.03995	16.0
303.04672	26.6
313.07312	9.8
357.06351	5.0
382.10245	30.8
383.11359	15.0
400.11160	100.0
401.12057	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	401.028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81884	0.8
57.96488	0.7
59.01384	31.3
69.04087	6.6
74.99364	1.0
75.00864	0.9
77.90376	0.7
111.96805	0.8
115.02512	1.9
117.00455	9.8
141.00476	3.0
156.90854	1.5
157.03653	1.1
159.01521	14.7
160.01689	1.9
165.78348	0.8
174.99509	9.6
175.99570	1.5
176.49786	0.9
176.98170	1.3
183.01512	1.3
198.91864	1.3
198.99506	7.9
201.02620	6.2
215.02708	1.4
217.00557	32.7
217.44739	0.9
218.00575	4.2
232.98561	3.5
241.00597	8.7
242.00870	1.9
255.10353	0.9
256.98566	1.6
259.01559	32.0
260.01657	6.0
273.01718	6.3
274.01834	1.8
274.99640	31.2
275.99747	6.7
298.99554	4.1
299.99811	1.2
315.02777	8.5
316.02841	1.4
317.00677	62.5
318.00766	13.2
322.14703	0.9
341.00665	3.1
357.03754	6.4
358.04089	1.5
359.01727	54.1
360.01932	11.7
383.01749	3.3
384.02127	1.7
401.02798	100.0
402.02921	30.8
413.77859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.01390	10.0
61.98824	0.9
65.00323	2.4
67.01894	1.2
68.99830	2.0
69.03432	1.0
69.55642	0.7
71.01402	5.1
73.02962	1.1
74.02490	1.7
74.85153	0.7
81.03470	1.0
83.01392	9.7
83.25650	0.7
85.02949	6.2
87.05652	1.1
89.02475	4.9
93.03450	1.3
95.01406	0.7
101.02467	3.4
105.07138	1.1
107.01410	2.3
107.05063	2.5
108.02203	1.1
109.02970	6.6
109.06520	0.7
111.00898	1.6
113.02455	2.6
119.03571	2.3
119.05042	52.1
120.05367	2.4
121.02960	1.6
123.04543	3.3
123.08205	1.2
125.02460	7.1
127.14782	0.8
129.10323	1.0
135.04561	4.0
136.04912	1.5
137.02461	3.0
137.05095	1.1
139.00417	0.8
139.04045	1.2
139.99883	1.2
145.02982	1.9
149.02461	1.2
149.06099	2.6
151.00394	13.3
151.03983	1.3
151.07689	1.3
153.01955	100.0
154.02312	3.0
161.04590	1.4
165.09250	1.0
167.03537	1.8
167.07132	1.8
177.01958	1.3
180.02991	2.2
182.02170	1.0
182.05862	2.5
191.07101	1.3
193.05099	1.1
193.08780	1.3
195.02979	2.5
195.06627	1.1
197.08226	3.3
219.06496	1.6
221.08295	3.6
237.07648	7.3
238.08141	0.8
248.01991	1.5
279.08734	6.1
281.09390	1.4
284.50583	0.8
341.13950	1.4
357.08301	9.2
357.13327	2.7
357.21619	2.6
371.22980	1.6
383.11401	6.8
394.83475	0.8
401.12125	10.0
401.24280	1.7
402.12781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1033
Annotation	Ethylidene-3,6'-biplumbagin
Peak:m/z	Relative Intensity
68.99831	1.7
69.70992	1.6
70.57181	0.4
76.96173	0.5
98.21938	0.9
99.00895	1.8
101.03982	3.4
105.08630	0.4
116.05085	1.7
117.03455	2.9
117.05416	0.7
121.02957	3.7
125.03973	3.2
141.03477	27.7
142.04192	2.0
151.05544	0.6
158.03792	0.6
166.18663	0.4
167.05017	0.5
169.02959	2.0
170.03740	1.8
171.04538	3.0
197.02441	10.3
198.02843	0.6
199.03987	1.6
201.05597	1.0
204.03186	0.7
212.78972	0.5
213.01935	0.8
215.03503	20.7
216.03835	1.7
229.05067	100.0
230.05409	7.4
269.04529	1.4
269.09628	1.2
297.03909	2.2
297.09155	1.8
298.09830	0.5
313.07437	0.8
325.08554	0.5
329.11893	1.1
357.11310	0.9
401.05225	4.5
401.10281	64.4
402.10666	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	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07346	0.8
59.01384	9.9
60.21434	0.8
61.93055	0.9
61.98808	1.2
62.33624	0.9
63.85905	0.8
69.71458	2.3
71.01394	2.4
74.02465	1.2
78.95914	3.3
88.04040	3.3
89.02425	1.1
93.03479	1.1
93.75797	0.9
95.00837	0.9
95.01396	3.3
96.96980	1.3
98.32339	1.0
101.02470	1.6
108.60564	1.1
109.02985	1.1
109.52979	0.9
113.02448	1.4
115.05167	1.2
119.05057	1.3
123.00893	43.4
123.04523	1.0
124.01212	1.8
128.03529	1.5
129.10263	0.8
137.02512	4.8
138.03242	53.1
139.03557	1.6
153.05591	23.0
154.05928	1.3
165.01930	5.2
166.99878	15.1
179.07094	1.4
182.02231	49.0
183.02486	2.1
197.04561	100.0
198.04880	5.3
207.02919	1.2
209.04575	1.7
239.05614	2.3
357.17709	5.8
401.10812	3.3
401.20114	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58183	4.6
59.01385	100.0
61.98825	6.9
66.36797	3.9
71.01391	32.4
73.02945	14.9
73.04118	4.3
74.02468	13.8
78.95879	4.5
80.17339	4.3
84.95119	4.1
85.02945	9.2
87.05633	5.1
88.04033	14.1
89.02466	27.8
95.01409	4.2
96.00890	4.5
98.21818	8.7
101.02449	18.9
113.02464	12.2
114.05581	5.7
115.00350	4.7
119.03539	10.3
119.05045	21.6
123.04517	4.7
129.10358	12.5
130.08763	4.2
132.03004	6.1
135.04556	19.6
137.02440	8.3
137.06000	4.2
149.02495	7.9
153.05600	6.9
164.04712	5.6
179.07095	7.8
182.02226	6.6
197.04514	13.2
209.04523	6.1
223.06154	6.2
239.09320	8.4
267.18280	8.0
279.08737	24.3
285.19351	10.8
286.17560	5.4
311.07605	6.6
315.10858	9.0
337.02951	4.9
357.11758	5.3
357.21494	14.5
366.16458	8.4
371.19412	6.7
401.14999	7.8
401.19992	27.6
402.15091	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	401.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69123	0.5
56.79454	0.5
57.03452	1.1
59.01370	1.6
61.98823	0.6
65.00317	0.6
67.01887	0.6
68.99805	1.4
69.03467	1.7
69.56226	2.0
71.01415	0.5
85.02962	1.2
89.66225	0.5
90.47123	0.5
93.03483	2.9
95.01387	1.4
95.05045	0.8
97.06595	2.1
98.21931	1.1
99.04537	1.3
105.07114	2.0
107.05066	2.6
109.02965	1.2
109.06602	1.3
110.00098	1.0
111.00851	0.7
115.04015	0.7
117.03480	1.9
119.05040	100.0
120.05354	2.9
121.02967	3.1
121.06614	2.8
122.03803	0.6
123.04545	3.8
123.08211	0.8
125.02522	0.7
133.02899	2.7
135.04546	4.6
135.08171	0.9
137.02411	0.7
137.06111	1.3
139.00404	1.0
143.05072	3.4
145.02995	3.1
147.04617	0.6
149.06104	6.8
149.09724	1.1
151.00424	1.1
151.04042	1.4
151.07634	2.8
153.01984	0.7
153.05669	0.6
161.06042	1.5
163.04042	0.7
165.05539	0.5
165.09218	1.5
165.99048	1.3
166.99911	0.7
167.03528	1.0
167.07159	3.0
171.04549	0.7
175.04056	1.0
175.07672	1.7
177.05597	0.8
187.04001	4.5
189.05571	0.8
191.07166	1.2
193.05042	2.5
193.08646	3.9
195.04820	0.5
195.06577	2.7
196.06833	0.6
203.07153	0.9
209.08240	0.7
211.09792	1.9
214.71889	0.6
217.05084	0.5
219.06660	1.9
237.05441	1.1
237.07707	15.4
238.07997	0.9
239.07158	0.9
251.11041	0.7
286.04904	1.9
288.12186	0.5
295.09732	1.2
295.13245	1.3
313.10754	0.9
327.21722	1.6
339.12320	5.6
341.10226	0.8
357.13498	8.7
358.13699	1.3
369.09604	3.8
383.11395	8.0
384.11740	1.4
401.12421	16.5
402.12720	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01380	2.4
65.00319	0.6
68.99831	1.5
69.03471	1.0
70.07574	1.6
71.01387	1.1
85.06635	0.7
90.43066	0.6
92.92653	0.5
93.03480	2.7
97.06611	0.9
98.76199	0.6
99.04512	1.0
104.63803	0.6
107.05040	3.6
109.02997	3.5
109.03651	0.7
109.06597	1.5
110.00114	3.0
117.03499	1.9
119.05040	100.0
120.05341	3.1
121.02986	2.6
121.06637	2.5
123.04570	3.1
123.08225	0.8
133.02965	8.7
134.03683	0.8
135.04539	1.3
135.08177	0.7
137.02426	1.6
137.99585	0.9
139.00391	1.0
143.05035	2.1
145.02963	4.1
147.04585	0.8
147.08195	1.3
149.06100	6.3
149.09753	1.7
151.00333	1.2
151.04022	1.6
151.07649	2.1
153.05614	0.9
161.02470	1.0
161.06142	2.1
163.07664	1.9
164.98332	1.5
165.05652	0.7
165.09258	2.6
165.99071	2.3
167.03589	1.3
167.07175	1.8
173.06139	1.0
174.03145	0.8
175.03976	1.5
177.01918	1.4
180.00768	0.8
187.03989	3.7
188.04837	0.9
191.07129	3.8
193.05136	2.4
193.08765	3.9
195.06618	1.6
199.04018	1.2
203.07188	1.5
205.08794	0.8
209.08301	1.5
211.09767	2.1
217.05035	1.5
219.06697	1.1
233.08238	1.3
237.07697	17.4
238.08047	1.5
239.07066	0.7
271.02454	0.9
271.09729	2.8
285.03940	3.2
286.04807	9.6
287.05447	0.9
295.09909	1.4
311.13092	0.8
313.10931	1.6
339.12314	2.9
341.10162	1.9
357.13425	10.2
358.13638	1.0
369.09796	13.7
370.10065	2.0
383.11398	6.7
401.12518	12.6
402.12900	1.3
415.99362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01381	0.9
59.12363	0.4
59.31718	0.3
67.01878	0.7
68.99829	2.6
69.03468	1.1
69.52068	1.5
71.01390	0.8
73.50256	0.4
81.03513	0.5
83.01389	1.0
85.02937	0.9
85.06599	0.5
88.04027	0.5
93.03452	2.4
95.01404	0.8
95.05064	0.9
97.06614	1.4
99.00888	0.7
99.04542	1.0
99.92639	0.4
105.07108	1.9
107.05042	2.8
109.02972	1.3
109.06615	1.7
111.00914	0.8
115.04070	0.7
117.03470	1.0
119.05042	100.0
120.05379	4.4
121.02996	2.0
121.06629	2.0
122.03798	0.7
123.04545	3.1
123.08183	1.6
125.06094	1.3
133.02962	1.9
135.04546	1.2
137.02469	1.3
139.00345	1.2
140.01193	0.6
143.05069	2.2
145.02966	3.6
147.08167	0.8
149.06087	7.4
149.09715	1.4
151.04034	1.8
151.07649	2.8
152.86513	0.4
153.01837	0.5
153.05605	0.7
161.06107	1.5
161.54276	0.4
163.04045	0.9
164.04855	0.5
165.09242	1.0
167.03432	0.5
167.07158	3.4
175.07663	1.2
177.05580	0.4
181.61435	0.5
187.04031	4.4
187.07602	0.5
191.07159	0.8
193.05042	2.0
193.08707	3.9
195.05098	0.5
195.06656	3.4
209.08234	1.1
211.09792	2.0
219.06650	0.9
237.07707	16.3
238.08136	1.1
239.07117	0.8
241.05228	0.4
269.11688	0.6
286.04892	1.2
295.09824	1.5
295.13248	0.9
313.10754	1.5
339.12405	5.8
340.12857	0.5
357.13495	9.1
358.13754	1.2
383.11334	4.6
401.12463	14.0
402.12848	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	401.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59142	0.7
60.93632	0.8
65.00352	0.9
68.99825	0.8
69.03489	1.4
69.41050	2.8
71.54747	0.8
71.76920	0.7
83.24393	0.8
83.90759	0.7
93.03473	1.6
98.22628	1.5
109.02965	17.3
112.59647	0.7
117.03542	0.8
119.05072	1.8
121.02974	1.3
130.04311	0.9
133.02972	56.7
134.03375	2.2
135.04546	2.2
135.08226	1.9
136.98856	1.7
137.06070	1.2
151.04102	2.6
159.04533	1.5
161.02489	1.4
161.06137	1.0
163.07687	6.7
171.04555	1.5
171.17014	0.7
172.05429	0.8
173.06053	2.6
174.03255	1.5
175.04044	8.3
177.01932	4.3
177.09254	3.0
179.07155	0.9
183.32558	0.9
187.04036	4.5
187.07727	3.8
188.04778	4.2
189.05576	1.7
191.07222	5.0
193.26157	0.8
199.04042	5.2
200.04790	0.9
201.01930	1.5
201.05533	1.6
203.07176	1.4
205.08777	2.4
215.03630	1.3
215.07173	3.4
216.04305	7.6
217.05064	22.1
218.05385	1.1
227.03539	1.6
231.06662	3.0
233.08223	3.4
242.02402	0.8
243.02954	1.8
244.03761	0.8
245.08205	9.4
253.05194	1.4
253.08821	1.3
253.32652	1.2
255.10406	0.8
269.04523	1.1
271.02542	4.0
271.06137	1.7
272.03220	1.7
279.06747	1.1
280.07486	0.8
281.08173	1.7
283.06433	1.1
297.07712	7.1
297.11154	1.4
298.08469	1.2
313.10764	1.9
323.09366	5.3
341.10312	51.9
342.10608	5.1
351.08817	2.0
369.09821	100.0
370.10181	10.6
383.11139	0.8
401.12436	73.5
402.12799	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	401.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01388	2.5
64.85361	0.4
65.00348	0.7
65.55774	0.4
66.42502	0.4
68.99816	1.4
69.03450	1.8
69.29022	2.4
71.01381	1.8
71.07078	0.4
73.58319	0.5
75.36455	0.4
81.03470	0.5
83.01394	0.5
85.02966	2.2
85.06585	0.8
89.02446	0.8
90.17736	0.5
91.04011	3.5
93.03467	3.0
95.01413	1.1
95.05032	0.7
97.02978	1.0
97.06622	1.9
99.00916	0.6
99.04533	0.8
105.07118	1.2
106.62292	0.4
107.05064	2.9
108.02164	0.7
109.02982	2.9
109.06616	1.3
110.00092	0.8
111.00866	0.8
115.04069	0.6
117.03466	2.2
119.05042	100.0
120.05386	4.1
121.03007	3.1
121.06606	1.9
123.04541	4.2
123.08189	1.5
125.02476	1.4
125.06145	0.5
132.81380	0.5
133.02962	3.7
133.06560	0.6
135.04555	5.9
136.04890	0.9
137.02455	1.1
137.06117	0.7
139.00410	1.7
139.07684	0.7
143.05026	2.7
145.03000	3.9
145.06598	0.5
147.04501	0.9
147.08180	0.7
149.02489	0.5
149.06088	6.5
149.09695	0.6
151.04053	1.4
151.07689	3.1
153.02045	0.6
153.05579	1.2
161.02515	1.9
161.06076	2.2
163.04012	1.0
163.07684	0.6
164.04878	0.9
164.98300	0.8
165.05634	0.7
165.09248	1.2
165.99077	0.8
166.99901	1.3
167.03563	0.7
167.07141	3.5
171.10336	1.8
173.06114	0.7
175.04037	1.0
175.07658	1.5
177.02014	0.4
177.05591	0.7
179.07191	0.5
183.13997	0.4
187.04028	4.4
189.05588	0.8
191.07159	1.6
193.05106	2.2
193.08694	3.5
195.06691	2.8
199.04031	0.7
203.07156	1.2
207.06743	0.6
209.08250	0.8
209.11824	0.7
211.09850	1.8
211.13351	4.0
219.06679	1.5
221.12004	0.7
229.14474	3.0
237.07713	14.9
238.08113	0.9
239.07176	0.8
253.05267	0.5
269.08112	0.5
286.04843	1.0
291.19662	1.1
295.09869	1.2
295.13379	0.5
309.20847	1.2
313.11011	1.6
327.21808	14.0
328.22311	0.7
339.12378	3.9
340.12772	0.5
357.13498	8.1
358.13950	0.8
369.09937	4.8
383.11359	9.0
384.11859	1.7
401.07114	0.9
401.12457	16.5
402.12891	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	401.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
60.40816	0.7
64.24755	0.8
67.01889	0.7
69.03440	0.9
81.89875	0.8
83.01379	1.1
89.11886	0.8
93.03459	1.9
95.01382	1.2
107.91862	0.7
109.02969	8.4
111.04539	1.0
115.00366	1.0
117.03458	0.8
119.05043	17.9
121.02961	1.1
124.01701	7.7
133.02975	40.8
134.03326	1.2
135.04530	3.5
135.08194	1.5
143.05006	0.9
151.03966	1.6
163.07677	8.6
173.06058	1.2
174.03116	1.2
175.04037	5.1
177.01901	3.8
177.09274	1.3
179.07091	1.2
187.04031	2.4
187.07664	2.3
188.04770	1.1
189.12833	0.9
191.07207	1.8
193.08641	1.5
199.03993	3.3
203.07202	1.9
205.08665	1.7
211.04018	0.8
211.09712	0.9
216.04062	1.2
217.05090	3.8
225.05626	0.8
227.03485	1.5
227.07246	1.0
231.06642	2.0
237.07698	1.4
242.02325	1.1
242.05818	1.0
243.03052	1.5
243.06645	1.5
245.08228	12.4
269.12210	0.8
271.02628	0.9
271.06082	3.5
295.09888	0.8
295.13297	1.0
297.07727	6.8
297.10699	1.3
298.08167	1.9
308.91107	0.7
311.13101	1.3
311.16287	7.0
313.10999	1.5
323.09216	1.1
339.12256	1.7
339.15826	2.2
341.10333	19.4
342.10687	2.1
355.24579	0.9
357.16980	4.9
365.13455	1.9
369.09824	100.0
370.10156	12.4
383.10419	1.1
383.15222	4.9
401.16190	26.2
402.16040	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01383	4.2
59.07391	0.4
64.25805	0.4
68.99825	1.7
69.03472	1.1
71.01392	3.3
73.02954	0.9
75.00903	0.5
81.03442	0.6
83.01400	0.8
85.02956	1.2
89.02444	1.1
93.03475	1.8
95.01390	0.9
97.06592	1.5
99.00900	0.6
101.02423	1.9
105.07114	1.4
107.05035	2.7
109.02964	1.3
109.06586	0.8
112.53123	0.4
113.02470	1.5
117.03499	0.8
119.05041	100.0
120.05373	3.5
121.03006	1.0
121.06577	1.5
122.03815	0.8
123.04535	4.2
123.08183	1.8
125.02396	0.4
125.06095	0.7
135.04558	2.9
136.04916	0.7
137.02486	1.1
137.05037	0.5
139.00386	1.5
139.07610	0.5
143.05028	1.3
145.02965	2.1
147.04510	0.4
147.08170	0.5
149.06107	5.6
149.09766	1.0
151.04034	1.2
151.07649	2.1
152.03511	0.5
153.01959	0.8
153.05573	0.7
161.04633	1.0
161.06064	0.8
164.04855	0.9
165.05490	0.6
165.09242	1.1
167.07220	3.3
175.07654	1.5
177.05626	0.5
178.01505	1.1
179.07097	0.6
180.03012	1.1
187.04047	1.3
191.07141	1.6
193.05048	2.1
193.08717	3.7
195.06650	1.3
203.07256	0.6
209.08212	1.1
211.09677	1.2
219.06674	1.1
237.07695	13.0
248.02055	1.8
256.20441	0.5
269.10336	1.6
290.26031	0.4
295.09875	0.6
295.13165	0.6
297.11581	0.4
302.06757	0.6
313.10709	0.8
339.12341	2.6
357.13470	6.7
357.21368	0.7
358.13947	0.9
383.11346	5.6
384.11874	0.8
401.12259	11.3
401.23691	0.4
402.12949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47236	0.4
57.03447	0.6
59.01383	1.3
67.01907	0.6
68.99823	1.7
69.03465	0.9
69.25383	2.0
71.01432	0.7
80.02699	0.5
83.01411	0.9
85.02969	0.5
85.06605	0.6
92.82569	0.4
93.03467	2.4
95.01391	1.0
95.05052	0.6
97.06618	1.0
99.04592	0.7
99.05294	0.5
100.31975	0.4
105.07113	1.5
107.05045	2.4
109.02950	1.1
109.06601	1.2
111.00887	1.2
117.03491	1.9
119.05042	100.0
120.05366	4.1
121.02965	5.6
121.06629	1.5
122.03735	0.8
123.04532	3.8
123.08147	0.9
125.06084	1.3
135.04549	1.0
137.02412	0.7
137.06108	0.7
139.00357	0.8
139.07683	0.4
140.01180	0.5
143.05023	0.8
145.02962	2.4
147.08119	0.7
149.02499	0.6
149.06091	6.7
149.09674	0.7
150.06432	0.6
151.04056	0.9
151.07675	2.5
153.01999	0.6
153.05602	0.9
160.04059	0.7
160.29019	0.4
161.02408	1.2
162.02016	0.8
164.04842	0.7
165.09236	1.8
167.03532	0.7
167.07193	2.6
175.07661	1.1
176.03587	0.8
177.05624	0.7
178.05197	0.7
186.14912	0.4
187.04036	1.3
191.07184	1.2
193.05109	1.7
193.08687	3.6
195.06676	1.8
204.03035	5.0
211.09767	1.8
219.06686	0.9
219.10890	0.4
220.02502	1.1
237.07715	14.0
238.08002	0.9
248.02002	0.7
295.09839	1.1
295.13290	0.4
313.10956	1.4
326.06631	0.6
339.12332	3.3
357.13501	6.2
358.13687	0.7
370.05743	1.8
383.11322	4.6
401.12378	10.2
402.08206	1.8
402.12903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31556	0.6
57.16303	0.6
59.01406	2.0
67.94189	0.6
68.99831	0.9
79.40247	0.7
83.01392	1.1
83.61269	0.6
93.03493	2.1
95.01448	1.9
107.05082	1.2
109.02959	17.4
109.03696	1.2
111.00987	1.0
111.04559	0.8
117.03500	1.4
119.05031	15.2
119.05796	1.0
120.05460	0.7
121.02966	1.6
123.00930	0.8
132.02248	1.5
133.02965	51.1
134.03294	1.6
135.04556	3.3
135.08179	0.8
136.04965	0.9
139.07697	0.7
143.05025	0.8
145.03044	0.7
147.04601	1.0
151.04048	3.6
153.01996	0.9
159.04567	1.1
161.02481	1.2
161.06125	0.9
163.07690	6.9
165.05525	0.9
171.04552	0.7
172.05301	1.2
173.06107	2.4
174.03250	1.5
175.04034	7.2
177.01965	3.9
177.09285	2.0
179.07202	1.9
187.04070	2.9
187.07726	3.0
188.04834	2.3
189.05672	2.6
191.07213	2.7
193.08615	1.1
199.04016	3.2
201.01999	1.5
201.05618	1.3
203.07170	1.4
205.08777	2.4
211.04044	1.0
215.07220	0.9
216.04282	3.9
217.05067	15.7
217.07140	1.3
225.05731	1.2
227.03568	1.6
227.07259	1.1
229.05170	1.1
231.06709	3.0
233.08226	1.0
237.07626	1.1
242.02336	1.5
243.02962	1.2
243.06604	1.4
245.08202	11.5
246.08607	0.8
253.04999	0.9
253.08853	1.0
269.04681	2.4
269.11844	1.0
271.02908	1.2
271.06149	3.5
281.08105	0.9
285.04028	0.8
286.04861	2.8
295.09683	1.3
297.07800	8.4
297.11008	1.2
298.08508	1.9
313.10928	2.5
323.09311	2.5
341.10306	40.1
342.10657	5.5
357.13495	1.0
369.09796	100.0
370.10068	12.1
383.11346	3.8
401.12396	35.5
402.12695	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	401.1244
Annotation	Brevipolide C
Peak:m/z	Relative Intensity
59.01379	0.9
65.00321	0.8
69.03462	10.7
69.28071	1.9
75.02200	0.3
80.95937	0.3
81.03457	0.4
82.62470	0.3
93.03468	3.5
94.88477	0.4
97.02932	0.4
98.21804	0.4
108.02165	2.2
109.02964	75.4
110.00150	0.7
110.03318	2.3
115.04062	0.4
117.03479	33.7
118.03826	1.4
119.05042	3.2
121.02955	4.0
123.04517	0.7
123.29385	0.3
124.01738	0.3
125.02454	0.6
129.05591	4.9
133.02971	10.7
134.03334	0.3
135.04544	17.6
136.01701	0.4
136.04883	0.9
145.02994	0.5
149.06099	4.7
151.00388	1.6
151.04010	2.2
153.05638	0.6
161.02460	100.0
162.02806	4.9
164.01160	0.8
164.98303	0.6
165.99077	0.7
166.99889	0.5
167.03535	0.6
173.06133	0.5
175.04065	0.7
177.01991	2.7
187.07558	0.5
191.07162	0.5
199.04089	0.8
201.05577	2.0
201.09280	0.4
205.05072	1.2
215.07379	0.4
224.52530	0.4
225.05617	0.8
231.10289	0.5
233.08157	0.8
241.04897	0.4
243.06696	0.6
259.06122	2.5
271.06152	14.0
271.09509	1.0
272.06445	1.3
277.11713	0.4
285.04126	2.9
286.04852	4.5
287.05624	0.7
287.12845	1.3
291.08710	0.5
313.07233	0.8
313.10852	0.4
331.11887	6.7
332.12152	1.0
341.10226	0.5
357.06305	0.4
369.09808	1.4
383.11237	2.8
401.12515	6.2
402.12943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79594	1.8
55.30783	2.0
59.01384	100.0
61.98836	2.1
69.66062	7.9
71.01381	22.7
71.86214	2.0
73.02949	24.4
74.02481	2.5
83.01381	9.5
85.02948	9.3
87.05656	4.1
89.02451	10.7
92.05617	1.9
94.33794	2.0
94.39368	2.0
97.02999	2.1
101.02447	23.4
113.02455	12.8
116.97256	2.5
118.96980	3.0
119.03547	5.9
119.05037	69.4
120.05387	2.8
122.02543	2.5
123.04469	3.4
129.06712	4.2
131.03481	2.1
135.04536	5.4
137.06081	2.9
141.01770	1.8
143.03496	2.4
149.04584	2.5
149.06091	2.5
153.01924	4.5
161.04570	3.7
167.03519	1.8
187.10858	2.3
211.09863	2.2
219.06674	2.1
237.07755	5.4
279.08755	11.9
281.10321	20.9
285.04291	2.4
299.11343	7.8
341.12506	7.3
357.13745	4.1
357.17828	10.4
369.93790	2.3
383.11560	3.5
401.12619	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24288	1.1
55.01884	7.2
57.03451	5.5
59.01083	3.1
59.01384	59.7
66.30292	1.4
69.22781	6.8
71.01389	89.7
73.02953	40.5
81.03471	1.7
83.01398	15.0
85.02955	41.7
87.00905	3.3
89.02459	14.7
93.03457	2.0
95.01394	7.5
97.02969	1.9
99.00891	18.6
101.02453	64.4
107.05052	3.1
107.76805	1.4
111.00904	2.6
112.01717	2.3
113.02460	39.5
119.05041	100.0
120.05415	4.0
123.04600	4.7
125.02493	3.7
129.01981	2.1
131.03531	2.3
135.04588	5.7
136.04919	3.0
137.02507	1.8
143.03557	2.8
149.06128	7.2
151.07646	1.7
153.05663	4.1
155.08292	2.4
159.03006	9.5
161.04575	44.5
161.05849	2.5
163.07683	1.5
163.56520	1.2
164.04826	1.5
167.07246	4.4
191.05684	2.5
191.07269	2.1
193.08775	2.5
195.06555	1.3
206.54697	1.9
209.08435	2.3
237.07660	11.6
238.07936	1.7
269.10330	73.6
270.10840	4.4
350.00436	1.3
357.13748	3.6
383.11600	6.1
401.14706	87.5
402.14920	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	401.1821
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01882	4.9
57.03455	4.9
59.01084	2.2
59.01385	46.8
69.03465	1.1
69.53282	4.0
71.01389	41.1
72.99310	1.6
73.02955	20.0
81.23973	1.0
83.01395	8.3
85.02956	21.5
86.00121	2.0
86.03249	1.0
87.00880	2.0
89.02462	9.4
89.09648	0.9
95.01395	3.7
96.67457	1.0
96.96024	1.8
97.02982	1.5
97.43443	1.0
98.21925	1.4
99.00888	5.0
101.02455	34.5
109.03014	1.2
111.00909	2.1
113.02467	14.9
119.03525	2.9
119.05070	1.3
123.08164	1.1
125.02420	0.9
135.04544	1.6
140.35315	0.9
143.03479	1.2
151.07697	1.0
159.03012	2.6
161.04530	5.4
194.04517	1.1
195.13928	5.8
200.93149	1.0
208.93185	1.1
357.19196	1.6
401.18216	100.0
402.18631	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	401.1973
Annotation	Acalycixeniolide E
Peak:m/z	Relative Intensity
52.44103	1.0
57.40920	0.9
59.01382	5.6
71.39764	1.2
93.55500	1.1
95.78057	1.1
103.42498	1.0
109.74348	1.0
115.04200	1.0
121.02925	6.6
208.27739	0.9
223.42226	1.1
224.72847	1.0
266.13159	1.4
267.02979	1.2
278.09457	1.0
279.10220	2.7
281.15503	2.2
293.11902	13.5
294.12616	10.2
295.13177	1.9
298.15616	1.4
309.14975	4.0
311.12988	2.5
313.07352	2.3
313.18112	2.3
325.14435	36.5
326.15234	61.2
327.15594	8.7
341.17584	82.4
342.18060	9.2
359.18674	16.4
360.19174	1.4
401.19699	100.0
402.20059	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.7
61.98833	22.7
66.31430	2.5
66.79115	3.0
67.01892	3.2
69.03466	3.3
70.94150	4.6
71.01384	9.8
74.49849	2.8
81.03462	8.0
82.03004	8.3
83.01392	12.4
83.05034	6.9
87.87479	2.6
93.03471	13.8
95.01404	24.4
96.00926	11.3
96.02177	16.6
96.25311	2.6
97.02981	11.0
98.02472	16.5
99.00883	14.4
100.04052	3.7
107.05042	9.6
108.02186	4.0
109.02964	15.9
110.00126	3.3
111.00895	63.6
111.04526	60.5
112.01200	2.8
113.02455	36.4
113.99157	2.8
116.88670	3.5
117.03493	5.1
118.03056	4.9
120.99674	33.2
121.02983	5.0
123.00963	4.6
123.04541	12.2
125.02447	4.0
126.01961	8.6
128.86322	3.1
133.02983	9.7
134.03731	5.3
135.04532	54.4
136.04057	7.9
137.02434	11.7
138.01987	9.1
138.03183	6.5
139.00374	23.2
141.01950	32.4
145.03006	2.7
149.02434	6.0
151.04025	38.4
153.01965	20.6
153.05606	14.8
154.05164	5.4
159.04517	3.9
161.02478	32.2
167.03566	4.8
170.04590	4.4
173.02432	8.9
175.04027	5.2
177.01956	20.4
178.05103	7.3
179.03479	6.8
180.03053	10.6
194.04631	22.0
196.06154	4.4
198.04102	41.1
201.01967	3.5
205.97449	15.2
213.05638	4.5
215.03494	6.6
222.04149	20.6
227.07053	3.6
239.03513	3.5
240.05138	62.3
257.04538	10.1
270.07697	7.5
275.05664	16.7
282.87015	3.1
295.06494	4.0
301.03430	4.2
303.04874	3.1
346.24017	3.4
384.07318	7.7
402.08325	100.0
403.08548	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	402.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01900	1.9
55.63768	1.0
55.68488	1.0
59.01369	5.0
63.02391	3.3
68.99811	2.6
71.01371	3.8
71.39678	1.2
71.81077	1.0
73.02940	1.4
73.75877	1.1
81.03490	1.9
83.01392	13.6
85.02953	2.1
89.03985	3.5
90.03510	4.0
91.01893	1.3
93.03439	1.1
95.01386	3.6
95.37137	1.3
97.02986	1.2
98.02409	1.2
101.02512	1.6
109.02944	1.8
110.02474	1.8
113.02441	1.6
116.05092	2.3
117.03474	12.3
119.01403	4.8
119.05018	4.1
120.00847	1.7
120.99670	8.0
121.02969	85.6
122.03300	3.3
123.00851	1.2
123.04521	1.6
125.02493	1.6
131.05014	1.4
132.04535	3.2
133.02977	6.3
134.02489	4.9
135.04539	4.1
138.01997	12.4
139.00406	6.5
139.03976	1.2
142.02948	1.4
143.05080	1.7
145.03008	2.0
149.02458	1.2
152.03561	1.8
153.01958	1.4
160.04051	14.0
161.02443	20.5
161.04422	1.8
162.01964	10.2
163.99854	1.6
167.04985	1.1
176.03549	14.4
177.01924	3.8
178.00977	2.4
178.05118	5.8
179.03494	3.7
180.02969	1.4
186.01927	1.4
187.03993	4.0
193.03337	3.6
196.02489	8.0
204.03032	100.0
205.01437	5.9
205.03368	5.3
205.05109	4.8
209.06155	1.4
211.04405	6.0
220.02550	12.4
236.05540	2.1
248.02051	17.5
249.02327	1.6
253.02194	6.2
253.08778	1.3
254.02989	6.7
265.05258	1.4
269.04471	1.3
280.04636	12.3
283.06259	2.3
296.94861	1.2
308.05667	2.8
314.10510	1.2
324.05325	1.8
326.06787	11.0
330.92029	1.1
333.99564	1.2
342.06326	3.5
352.04697	2.1
370.05688	31.0
371.06140	3.1
384.07147	3.7
402.08340	37.2
402.13733	1.2
403.09174	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	402.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01900	1.9
55.63768	1.0
55.68488	1.0
59.01369	5.0
63.02391	3.3
68.99811	2.6
71.01371	3.8
71.39678	1.2
71.81077	1.0
73.02940	1.4
73.75877	1.1
81.03490	1.9
83.01392	13.6
85.02953	2.1
89.03985	3.5
90.03510	4.0
91.01893	1.3
93.03439	1.1
95.01386	3.6
95.37137	1.3
97.02986	1.2
98.02409	1.2
101.02512	1.6
109.02944	1.8
110.02474	1.8
113.02441	1.6
116.05092	2.3
117.03474	12.3
119.01403	4.8
119.05018	4.1
120.00847	1.7
120.99670	8.0
121.02969	85.6
122.03300	3.3
123.00851	1.2
123.04521	1.6
125.02493	1.6
131.05014	1.4
132.04535	3.2
133.02977	6.3
134.02489	4.9
135.04539	4.1
138.01997	12.4
139.00406	6.5
139.03976	1.2
142.02948	1.4
143.05080	1.7
145.03008	2.0
149.02458	1.2
152.03561	1.8
153.01958	1.4
160.04051	14.0
161.02443	20.5
161.04422	1.8
162.01964	10.2
163.99854	1.6
167.04985	1.1
176.03549	14.4
177.01924	3.8
178.00977	2.4
178.05118	5.8
179.03494	3.7
180.02969	1.4
186.01927	1.4
187.03993	4.0
193.03337	3.6
196.02489	8.0
204.03032	100.0
205.01437	5.9
205.03368	5.3
205.05109	4.8
209.06155	1.4
211.04405	6.0
220.02550	12.4
236.05540	2.1
248.02051	17.5
249.02327	1.6
253.02194	6.2
253.08778	1.3
254.02989	6.7
265.05258	1.4
269.04471	1.3
280.04636	12.3
283.06259	2.3
296.94861	1.2
308.05667	2.8
314.10510	1.2
324.05325	1.8
326.06787	11.0
330.92029	1.1
333.99564	1.2
342.06326	3.5
352.04697	2.1
370.05688	31.0
371.06140	3.1
384.07147	3.7
402.08340	37.2
402.13733	1.2
403.09174	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	402.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01413	0.8
63.01146	0.8
64.01918	2.8
65.00333	5.1
65.99854	16.9
68.99822	1.8
76.58665	0.7
81.48474	0.8
83.01372	1.0
88.01916	0.9
93.03468	65.7
94.03804	2.2
95.00129	1.2
95.01451	0.9
96.00946	1.7
107.00147	1.4
108.00940	3.0
110.02473	1.0
117.03423	1.3
118.03001	4.2
119.00063	0.7
119.05034	1.0
120.00949	4.5
120.04602	1.3
121.02956	3.6
121.39857	0.7
123.00890	1.0
124.83992	0.7
131.03793	1.6
132.00905	1.3
132.02216	2.1
132.04588	4.1
133.01750	2.0
133.02985	2.3
134.02570	1.7
134.99634	1.0
135.03270	1.0
136.00415	13.4
138.01982	0.9
143.04996	1.4
144.04527	1.3
147.04619	0.9
148.00453	0.9
149.01170	1.2
150.01979	0.8
151.02699	1.3
156.04579	2.2
157.05289	2.0
158.06107	2.3
160.04068	3.2
161.01204	0.8
161.02415	0.9
163.99930	8.7
164.98274	1.2
166.01401	0.9
168.04515	1.0
169.06696	1.4
171.04517	8.2
174.05563	2.0
174.11769	0.9
175.99905	14.9
177.00658	1.3
181.05350	2.3
182.06114	3.3
184.04018	1.7
185.06035	0.8
186.05644	0.9
187.03949	1.3
189.00636	1.1
194.06151	0.8
198.05586	6.2
199.03975	0.8
202.01538	0.9
202.05101	7.4
203.99380	8.9
204.03090	1.7
208.07648	1.5
210.05597	2.9
211.04076	0.8
212.07326	1.1
214.05136	3.1
222.05693	1.3
223.06377	2.4
224.07144	2.1
225.05588	0.8
226.05098	6.0
226.08789	0.9
227.05414	0.8
228.06569	1.0
236.07254	2.0
238.05064	3.5
239.05804	1.0
240.06740	9.7
242.04611	17.2
242.08167	9.2
243.05000	1.9
243.08708	1.2
252.06677	3.2
254.04549	1.6
255.06696	1.4
264.06894	0.8
266.04529	1.5
267.05365	1.0
268.06152	29.3
269.06598	2.0
270.04111	18.9
270.07745	19.7
271.04510	1.1
271.08069	3.0
280.06192	33.9
281.06555	3.4
283.05026	1.3
296.05609	1.7
304.09857	3.7
308.05658	21.5
309.06052	1.8
332.09280	2.6
346.10770	3.0
356.09427	2.1
358.10696	1.2
365.10126	0.9
374.10358	100.0
375.10709	13.2
384.08752	5.1
402.09842	85.9
403.10223	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	402.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.7
65.00317	14.7
81.03461	69.2
82.02992	22.2
83.01395	5.6
93.03459	8.2
95.01389	9.6
98.02476	5.4
99.00894	4.8
100.04038	4.8
107.05019	11.2
108.02200	4.9
108.99297	4.8
109.02957	5.9
110.00096	8.9
111.00905	8.8
119.05030	30.6
121.02962	10.1
121.06544	6.8
122.06182	9.9
123.00898	7.9
123.04543	5.2
124.01723	5.7
124.04050	27.1
125.02452	9.1
133.06543	4.7
135.04527	9.6
136.04074	7.2
136.98830	11.8
137.02449	9.7
138.01973	12.2
145.06609	100.0
147.04558	8.7
149.02536	5.7
149.06003	5.7
150.03316	5.6
151.07658	6.6
152.01164	8.1
156.03102	6.5
159.04510	5.3
160.04057	5.4
161.02386	5.7
163.04051	8.1
164.07161	5.0
164.98282	22.4
165.05565	14.4
165.99091	12.1
167.03540	6.3
168.68280	4.4
171.04500	10.3
172.05286	14.2
175.03931	5.1
177.01958	9.7
177.05605	11.0
179.03531	8.4
180.03087	6.0
185.09705	6.7
187.07654	29.1
189.05605	8.9
191.03535	9.8
193.05113	13.2
204.03024	12.2
208.06212	10.3
209.09824	6.8
211.07628	6.0
220.02652	6.1
220.06174	31.7
222.04050	21.7
231.06474	6.8
236.05650	20.0
241.04994	6.3
250.03600	25.9
264.05072	11.5
269.04538	58.5
270.05084	12.7
270.11401	58.3
271.06122	20.6
271.11703	7.5
281.07352	8.9
313.09995	5.3
314.10318	94.8
315.10800	7.2
342.09576	5.6
352.08319	6.1
370.09363	99.3
371.09717	9.9
384.10934	6.5
387.10867	30.9
402.12109	60.3
403.12262	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	402.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.6
61.98825	0.7
67.71780	0.6
71.01392	1.6
71.39818	0.5
74.04636	0.6
75.81393	0.6
78.03518	1.5
85.02976	1.4
89.02439	0.8
93.03455	0.7
113.02431	1.0
122.02496	100.0
123.00866	1.8
123.02847	4.6
124.01727	0.8
127.87064	0.6
135.06653	1.2
136.04074	4.3
137.02469	2.4
137.49263	0.6
138.03206	0.8
139.04004	1.2
167.03505	0.7
209.97581	0.7
369.72070	0.6
403.11731	1.2
403.16827	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	402.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97498	0.5
58.00793	0.5
58.02974	3.3
59.01385	3.1
68.99792	1.0
69.43357	2.6
70.02944	0.6
71.01347	2.1
73.04075	5.1
81.07088	0.5
85.02922	0.6
85.96735	0.5
93.03438	2.7
95.02522	0.6
96.03271	0.7
96.08193	1.1
97.04046	1.6
98.02498	3.4
107.04955	0.6
111.04369	1.7
114.01947	1.5
115.00370	1.1
115.05134	5.1
117.03450	1.2
119.05040	32.1
120.05374	20.8
121.06603	0.8
122.09732	1.8
123.04488	1.8
129.01936	1.4
129.10355	4.5
133.02940	0.6
135.04507	1.2
137.02458	3.5
139.08807	0.6
141.10318	0.9
144.09207	0.6
145.02892	0.7
149.06055	1.4
150.06447	1.2
151.07690	0.8
151.08755	5.3
153.05486	7.1
155.08260	1.0
155.11856	1.1
155.54601	0.7
166.08708	2.5
167.07100	1.3
168.11436	38.0
169.11697	1.5
179.10764	2.9
180.03050	0.6
186.10886	1.2
186.12511	18.0
187.12856	0.9
193.08682	0.8
194.09091	1.0
195.11380	0.6
196.14526	0.9
197.12317	0.6
210.12491	79.5
211.12831	5.0
220.07016	0.7
222.01656	0.6
227.10435	1.0
228.13548	100.0
229.13907	5.9
237.07686	3.9
238.08023	4.5
248.02051	0.7
254.15192	1.6
272.16174	22.7
273.16565	1.5
326.13504	2.9
340.12799	1.7
358.13620	3.6
370.16223	2.6
384.11893	2.5
402.12927	5.4
402.19031	3.7
403.16357	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	402.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	13.1
59.01385	100.0
60.00940	2.7
60.01728	3.0
60.48338	2.7
71.01388	12.2
71.13926	2.6
73.02930	3.6
74.99099	3.1
82.06645	3.2
83.01378	4.4
85.02952	4.1
87.04561	4.6
89.02454	3.3
93.03429	4.5
97.02952	2.8
99.05665	3.0
101.02465	6.7
109.02985	3.3
110.06121	3.9
111.00880	7.7
112.19581	3.4
113.02436	8.4
115.08796	4.3
119.05032	8.2
123.04545	8.2
125.02491	4.4
131.05087	2.7
133.02946	3.9
135.04523	8.7
139.00368	8.8
146.03735	2.7
147.04501	4.8
151.03986	4.5
161.02432	8.6
167.03508	31.0
168.03827	8.8
175.04030	21.7
179.07216	4.0
182.05455	4.0
192.25874	2.7
194.13141	3.5
195.02435	3.9
195.73645	3.2
196.74710	3.5
199.04181	2.8
209.04515	11.0
210.04871	15.7
215.03500	3.8
239.05544	5.1
240.05672	5.0
254.18762	30.7
254.32683	3.6
270.06924	4.8
271.87750	3.0
324.22968	9.4
342.24036	39.4
343.24356	6.2
349.64105	3.7
402.08237	8.5
403.12634	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	403.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30779	1.3
51.97247	1.2
54.88781	1.3
57.03430	1.6
59.01391	11.4
69.65434	3.5
71.01385	3.6
80.05078	1.5
83.01420	1.4
93.03453	3.5
108.04572	2.4
109.02958	6.3
111.00871	3.2
113.02458	2.1
115.03996	1.5
116.92857	4.4
117.03461	2.8
119.05046	16.0
120.04364	1.3
120.05350	3.6
121.02951	2.4
122.06107	4.7
131.03732	2.3
132.04602	10.1
133.02951	8.2
134.03333	2.6
134.06129	3.5
135.04536	10.3
137.02458	3.1
147.03275	2.9
148.04100	3.7
150.05637	1.5
151.04008	1.8
158.02452	2.8
160.04016	3.5
161.02434	3.1
161.04765	1.8
162.05704	2.0
175.02737	4.8
176.03564	12.5
184.07773	1.6
187.03909	1.4
190.05116	12.4
192.02991	2.1
195.77921	1.6
197.11687	1.8
203.02225	2.1
204.03001	6.4
206.04526	2.6
212.06006	2.4
212.10767	1.9
215.11923	3.6
220.02579	1.8
223.08647	1.5
224.07434	1.8
224.09454	6.7
227.08392	7.5
234.04121	3.4
235.05121	1.6
237.10262	1.6
238.08209	1.7
239.08308	2.9
239.11914	10.3
240.10440	3.3
241.09834	5.0
243.07689	1.5
243.11368	4.1
253.06230	13.9
253.09862	1.3
255.07698	4.0
255.11372	3.1
267.07843	5.5
267.11285	3.0
268.08527	7.9
269.09299	3.8
271.07205	3.8
271.11063	2.9
281.09143	7.5
283.10883	31.9
284.11484	2.6
294.06366	3.1
297.05133	2.3
299.10474	1.6
309.08853	17.8
310.08969	1.9
311.10260	2.4
315.13351	2.4
327.09918	41.1
328.09979	4.0
341.11261	4.7
342.10873	1.7
343.10974	2.3
343.12900	2.6
353.07877	2.9
359.12354	9.3
371.09015	30.3
372.09500	3.1
385.10233	3.4
393.39908	1.6
403.11447	100.0
404.11935	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.6
64.49036	0.9
65.00324	3.2
66.80389	0.9
68.99826	1.5
69.11948	1.8
69.12345	5.1
101.03970	2.1
114.69435	0.8
125.04005	0.9
127.05550	3.3
139.05545	2.3
145.06642	1.0
151.05544	1.5
155.05052	1.9
167.05045	4.3
171.04543	19.9
173.06161	1.1
181.97456	1.0
182.03812	1.4
195.04504	5.9
211.04005	8.4
212.04472	1.0
213.05621	1.2
216.15540	0.8
223.03929	1.4
224.04788	2.2
238.02673	1.0
239.03522	24.5
240.04039	2.4
247.99525	0.9
249.05432	1.4
252.04333	4.3
266.02222	1.2
267.02985	17.6
268.03427	2.0
271.11313	1.9
280.03760	5.3
281.04214	1.2
281.09531	1.1
283.11340	1.5
299.10815	2.7
301.08987	1.3
325.08490	1.8
327.10330	5.1
343.09756	22.5
344.10147	2.6
353.08136	1.9
371.09274	100.0
372.09589	14.9
403.07327	1.7
403.11945	11.5
404.12134	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	403.1189
Annotation	Diosindigo A
Peak:m/z	Relative Intensity
68.99816	3.2
70.15471	2.4
70.15804	3.3
86.94401	1.6
115.05544	4.6
117.03485	6.8
125.03941	2.6
126.26063	1.9
135.85678	1.9
139.05516	4.4
141.03442	4.2
143.05035	3.9
155.05040	2.2
166.04330	2.2
167.05031	52.8
168.05392	3.0
169.06604	3.6
171.04495	5.0
173.06155	4.6
179.04982	2.5
181.06659	2.5
183.04562	4.7
195.04526	11.8
196.05179	4.2
209.06088	5.2
210.03177	4.1
211.04004	27.0
212.04343	3.3
223.04045	5.2
224.04744	2.2
226.02783	2.2
234.03064	2.1
237.01974	34.0
238.02461	6.3
239.03517	77.4
240.03886	6.1
241.10255	2.2
243.08278	2.4
249.05399	2.3
251.03543	4.6
252.04283	17.8
253.04993	5.1
257.09689	5.4
267.03131	3.7
271.11447	3.3
273.09167	2.3
280.09006	3.2
281.09747	7.5
283.07623	2.2
283.11334	5.9
285.09290	4.2
293.04700	2.8
297.09290	5.0
299.10782	22.9
300.11029	2.5
301.08661	6.2
309.09106	8.9
311.54843	2.3
315.10358	6.1
325.08862	24.2
326.08954	3.5
327.07407	1.3
327.10294	54.0
328.10657	6.7
329.08221	24.6
330.08984	94.9
331.09271	9.2
343.09698	16.1
344.10068	2.1
353.08203	28.8
354.08499	3.5
359.12906	3.9
371.09207	53.5
371.13861	3.4
372.09714	7.8
385.10855	6.7
403.11935	100.0
404.12299	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	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	58.0
61.98835	11.2
63.01921	2.4
63.08919	2.4
65.14997	2.3
69.06928	18.3
71.01379	7.0
71.54031	2.3
74.13228	2.2
78.95914	3.1
79.95746	3.3
85.02969	5.2
89.02462	4.2
95.01401	7.0
101.02454	4.9
101.25404	2.4
108.02127	3.5
109.02984	4.6
114.51154	2.6
119.05005	5.4
121.02993	5.5
122.26703	2.3
123.00906	100.0
123.04512	3.9
124.01706	23.6
134.97673	2.6
137.02472	4.4
138.03261	58.6
139.04053	79.3
140.04419	3.0
149.02536	4.2
151.04074	2.8
152.01146	3.3
159.04564	2.9
161.02419	2.4
166.99948	2.7
167.03528	10.7
181.05125	7.1
189.79701	2.6
197.04611	2.5
223.04358	4.2
235.93697	2.9
238.03598	7.9
283.08322	3.7
285.14462	2.6
343.10501	15.2
344.10541	3.5
403.06506	2.9
403.11673	8.3
403.16559	3.7
404.10220	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	403.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03451	1.2
59.01385	19.8
61.98832	1.9
64.97237	0.5
65.00312	0.8
65.79388	0.5
65.98949	0.6
67.01897	1.5
68.75005	0.6
68.99824	0.9
69.03438	0.7
69.58703	1.1
69.59095	1.5
71.01388	12.1
72.99329	1.0
73.02956	3.4
78.95918	0.6
79.95761	0.8
80.23771	0.5
81.03453	3.6
83.01410	3.5
85.02959	7.8
87.00887	1.6
89.02450	4.6
91.01897	6.5
91.04015	2.2
93.03474	1.0
94.38605	0.5
95.01395	2.9
96.96022	1.3
97.02969	1.0
98.02477	0.6
99.00886	1.6
101.02457	8.8
107.01393	6.1
107.02526	1.0
107.06175	0.5
108.02174	8.8
109.02953	2.3
110.02495	0.9
111.00892	3.5
111.04511	0.8
113.02453	4.9
119.03503	1.3
119.05054	1.7
121.02937	0.9
122.03754	0.7
123.00884	2.6
123.04539	32.4
124.01645	0.9
124.04074	0.8
124.04900	0.8
124.14777	0.6
124.76203	0.6
125.02451	4.6
125.03399	0.9
126.01956	1.0
131.05070	0.8
135.04541	2.2
136.01653	0.8
137.02441	1.1
139.00394	1.2
139.04013	0.9
145.02971	0.6
147.04608	0.7
149.07210	1.2
149.86162	0.6
151.00385	6.9
151.04037	0.9
152.01167	8.7
153.01917	3.0
154.99872	0.8
159.03033	0.7
159.04524	0.6
161.02455	2.6
161.04628	1.1
163.19650	0.6
165.05574	1.2
166.02724	2.1
166.05075	1.2
167.03511	100.0
168.03889	4.3
175.03914	0.9
179.07236	0.6
180.06723	0.7
181.05070	1.1
193.06265	1.0
194.04607	0.9
195.03015	1.1
197.04495	0.7
209.04533	3.5
212.05634	0.5
238.03557	0.7
241.05150	1.0
251.05669	1.5
253.09123	0.9
255.19058	0.9
256.04675	1.3
269.06598	0.7
299.05624	0.6
311.07733	1.7
328.80042	0.6
343.24130	1.3
388.10162	0.7
403.12454	73.7
404.08261	0.7
404.12973	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	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81827	1.7
52.28284	2.2
58.34411	1.9
59.01382	60.0
61.98827	7.4
70.08959	4.6
71.01385	5.4
78.95908	23.6
82.44123	1.8
85.02962	3.1
93.03490	4.4
95.01392	4.4
96.26490	2.7
96.96966	2.4
108.02176	8.6
119.05039	3.8
122.02458	4.6
123.00898	100.0
123.04547	2.3
124.01714	24.7
134.04710	6.1
137.02460	5.6
138.03249	57.7
139.04034	69.8
140.04333	2.6
146.52242	2.0
152.01151	10.0
161.04601	2.2
167.03490	16.4
181.05052	5.1
203.05513	3.5
223.06145	4.6
226.72112	2.2
229.50742	2.4
229.53629	2.0
283.07809	2.2
331.92099	2.1
343.10190	8.9
403.11786	4.6
403.16220	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	403.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75922	1.8
59.01121	2.8
59.01386	31.4
61.98836	11.2
70.49056	1.7
71.01384	15.6
73.02938	4.7
74.02499	1.7
74.42239	1.6
76.13600	1.7
78.95914	13.9
85.02953	4.1
89.02458	10.7
93.03467	42.6
93.34827	1.9
94.03814	2.5
100.64156	1.7
101.02466	11.8
101.03009	2.1
113.02455	5.5
118.43981	1.5
119.03533	4.6
119.05033	2.2
121.05092	4.2
123.00848	1.8
134.04735	4.9
135.04541	1.9
136.01666	3.5
137.02460	100.0
138.02814	4.5
139.07887	2.1
151.04033	2.0
159.51163	1.6
161.02443	4.3
167.03609	2.3
179.03514	7.8
187.04091	1.9
209.04428	2.1
239.05614	5.4
244.26535	2.1
271.39709	2.0
281.06616	2.9
281.13586	1.8
357.93121	1.9
403.12372	83.3
403.21411	4.4
404.12695	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	403.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03444	1.5
59.01387	15.5
61.98829	2.6
65.00325	2.2
68.99813	0.9
71.01386	12.1
71.39981	0.8
72.99306	0.7
73.02950	6.8
74.02486	1.4
75.00900	0.8
80.99338	0.7
81.03466	2.6
83.01389	4.9
85.02951	7.7
87.00887	1.7
89.02452	1.2
93.03455	1.5
95.01402	6.4
96.96976	1.3
97.02938	1.3
99.00890	3.2
99.05639	1.8
101.02458	11.5
102.05585	0.9
106.00611	0.9
107.01418	0.8
109.02959	4.6
111.00896	4.3
112.98817	1.1
113.02483	4.7
119.05038	9.7
120.05366	2.9
121.02973	13.5
121.05522	1.1
122.00092	2.4
122.03267	1.0
123.00907	13.7
123.04543	2.1
125.02489	1.6
127.00377	3.7
128.03557	3.4
132.04594	0.8
135.00951	1.1
135.04529	13.1
136.98805	2.2
137.02464	19.8
137.09778	1.1
137.99612	0.8
138.03296	7.8
139.00404	5.7
139.04004	1.2
141.01958	1.5
143.04599	4.8
146.04675	1.0
151.00211	0.8
153.02000	1.4
153.05585	15.0
154.02730	1.2
154.05975	0.9
155.03508	5.5
160.00682	1.2
160.56339	0.7
161.04591	1.5
164.03806	0.7
166.99881	6.3
168.00621	1.0
175.02751	1.3
176.03523	1.9
179.03384	0.9
181.01443	14.2
182.02213	14.4
183.02991	7.4
195.06470	0.9
196.03825	1.9
197.04568	65.3
198.04895	3.0
204.03061	2.0
209.08249	1.2
225.03995	4.0
233.08194	3.0
237.04333	0.7
237.07703	1.3
243.11401	1.3
253.09790	0.8
254.07805	2.5
269.09314	1.8
272.08890	2.0
281.06699	1.5
283.10873	0.8
299.10291	0.8
306.07639	5.3
309.08923	2.0
327.09857	2.4
329.19754	2.3
341.08829	1.1
373.07785	4.8
385.11154	0.7
385.22693	1.3
388.10190	11.2
389.10495	1.5
403.12451	100.0
403.23480	2.0
404.12756	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	403.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52023	0.2
53.89528	0.2
59.01392	1.9
62.61178	0.2
65.00310	0.4
69.03469	0.5
71.01382	1.1
73.02962	0.5
78.95918	0.5
83.01375	0.5
85.02960	0.7
93.03481	0.6
95.01402	0.5
96.96035	0.7
98.22608	0.8
101.02456	0.8
109.02943	0.6
115.04013	1.1
117.03462	0.8
119.05052	1.8
120.05389	0.5
123.04557	0.9
125.85556	0.2
133.02930	0.5
134.03790	1.7
135.04541	100.0
136.04866	3.9
137.06073	0.3
139.04039	0.7
150.38626	0.2
151.04028	1.1
161.02435	0.8
165.05592	1.4
171.04466	0.3
179.07195	0.9
187.04007	0.3
191.07137	0.4
195.13719	0.2
199.04340	0.7
200.04811	0.6
207.06645	1.1
209.08200	1.8
209.97473	0.2
211.07133	0.3
213.05826	0.4
223.09837	0.4
229.14363	0.3
235.06125	2.7
236.06659	0.3
241.05463	0.7
255.06645	0.4
267.08582	0.4
287.05124	0.6
288.05377	0.5
309.67456	0.2
311.12930	1.4
329.13953	0.6
329.23477	0.4
349.88638	0.2
353.10242	0.4
371.11362	14.8
372.11575	2.3
375.08871	0.8
385.13141	1.2
386.13864	0.3
403.08539	1.2
403.13693	1.1
403.18225	0.6
403.27060	0.7
404.08554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
61.68065	0.7
61.98862	0.8
71.05030	1.0
71.43143	1.2
73.45129	0.7
81.03465	3.5
81.07755	0.7
83.05042	2.4
99.04532	1.7
117.03465	1.5
185.77371	0.7
203.09427	0.7
239.90973	0.8
260.05167	6.8
261.05887	0.8
285.22311	2.5
303.23285	0.8
311.11032	1.6
312.11325	0.8
313.09000	3.3
327.10629	3.2
328.11218	2.7
337.30154	0.8
343.09326	1.7
343.13739	79.1
344.14059	10.9
403.15878	100.0
404.16199	14.4
404.21548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	80.0
63.43482	0.9
63.56297	0.9
67.05517	1.2
71.01389	36.6
72.99296	1.5
83.01403	2.1
85.02981	5.5
85.03390	1.1
85.28515	1.0
85.85275	0.9
87.00883	1.9
89.02453	48.3
95.01392	2.9
98.03737	0.9
99.04528	5.5
101.02460	16.9
111.04540	1.4
113.02457	15.1
119.03529	17.2
119.05017	4.1
124.05337	1.6
131.03532	1.6
135.11816	5.8
135.12677	0.9
137.02422	1.1
143.03484	2.4
149.04559	2.2
161.04559	2.5
161.09709	3.0
179.05679	6.5
179.10783	40.4
180.11139	2.2
205.08778	1.6
223.09773	100.0
224.10107	6.2
343.11893	2.2
354.92407	1.0
364.18857	1.0
403.16232	5.2
407.77890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1764
Annotation	CHEBI:67661
Peak:m/z	Relative Intensity
59.01086	1.4
59.01385	28.7
61.98830	1.3
69.75571	2.9
83.87150	0.9
93.03471	3.0
97.02944	1.2
97.05488	0.9
105.06418	1.1
117.90911	1.0
121.02989	1.4
123.00887	1.4
125.02431	1.2
137.02486	1.2
138.03198	1.9
139.04013	1.4
165.01967	1.7
181.04947	0.9
186.49380	1.0
227.14555	1.2
233.91470	0.9
239.10753	1.8
240.11426	1.2
241.08672	2.1
253.12378	2.0
255.10307	7.4
255.13861	4.7
256.11011	2.3
256.75784	0.9
265.08939	1.3
266.09528	1.8
268.07626	1.7
269.08203	3.1
271.13461	4.5
281.11954	2.0
283.09790	7.1
284.10596	6.9
285.10980	1.6
294.21188	1.0
299.12894	27.5
300.13351	4.3
315.16046	7.7
325.14468	3.3
327.12610	2.8
328.13132	17.0
343.15515	100.0
344.15872	12.7
403.17636	58.2
404.17947	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	403.1768
Annotation	17-Acetoxythymifodioic acid
Peak:m/z	Relative Intensity
52.22887	1.6
55.40677	1.8
59.01386	68.3
61.66085	1.6
61.98830	1.8
63.45779	2.0
70.33881	4.0
81.03466	24.1
101.91135	1.7
103.15561	1.8
127.34879	1.9
133.25873	1.9
220.83214	1.6
229.12479	1.9
243.13916	8.7
253.83401	1.6
255.17473	4.0
257.11853	11.0
257.15262	3.3
269.11887	1.9
271.17123	5.0
273.15085	5.2
281.15512	3.8
299.16693	12.2
303.16055	5.5
315.16113	1.9
315.19653	6.1
317.14050	10.6
317.17325	2.7
331.19156	3.9
341.17752	5.0
348.98734	1.8
359.18665	100.0
360.18982	13.1
361.12924	2.2
375.18161	15.7
376.18567	2.6
377.65103	1.9
403.17261	13.1
404.17816	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	403.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	13.7
57.03453	13.8
59.01384	36.2
59.17877	0.6
65.03981	0.7
66.41835	0.5
66.83200	0.6
67.01883	1.4
68.99818	4.8
69.03458	8.5
69.86676	2.1
71.01387	73.7
71.05026	4.0
72.01729	1.2
72.99314	11.3
73.02953	32.6
75.00879	1.8
76.14600	0.6
81.03455	6.0
83.01391	20.1
83.05040	5.8
84.02167	2.1
85.02956	100.0
86.03294	2.0
87.00882	57.5
87.04519	0.9
88.01233	1.2
89.02453	10.2
93.03452	7.2
95.01395	12.3
95.05024	4.8
97.02956	11.6
97.06577	4.6
99.00889	22.3
99.01537	1.3
99.04531	1.9
99.08204	0.9
99.45171	0.6
99.92607	1.3
100.93353	2.1
101.02447	33.5
102.02773	1.1
105.03484	0.8
107.05048	4.0
108.02189	10.2
109.02953	3.3
110.03751	4.0
111.00887	8.4
111.04515	5.0
112.01686	5.6
113.02459	80.2
113.06095	1.0
114.02811	1.5
115.04038	1.5
115.92079	2.5
116.92867	10.3
119.03504	1.1
119.05015	2.0
120.05393	0.6
121.02970	2.3
123.00886	1.0
123.04537	26.0
124.01673	2.3
124.04843	1.2
125.02465	11.8
125.06093	19.3
125.09733	2.3
126.06406	0.8
127.00434	0.7
127.04031	1.1
127.11301	18.5
128.11630	1.1
129.01947	5.3
131.03534	3.3
131.08423	0.8
135.04539	3.0
137.02394	0.9
137.06082	0.8
139.04024	6.5
141.01964	1.3
141.05595	9.8
143.03505	3.9
149.02437	0.9
151.04013	3.7
153.01978	1.5
153.05586	4.0
155.03551	1.0
159.03004	2.9
161.04559	12.4
167.03514	0.8
167.10870	1.0
169.05077	6.4
170.93910	0.9
173.04517	0.7
185.11877	0.7
201.04086	1.8
205.07217	1.6
213.92801	0.7
215.05659	1.3
255.03021	1.5
269.54059	0.7
275.07748	2.1
289.16571	3.2
317.19391	0.7
317.73016	0.6
329.16049	2.4
403.04102	3.8
403.14108	1.2
403.19711	12.9
404.20065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25057	7.8
61.98833	10.6
67.15985	8.6
67.93228	7.5
69.14537	51.1
87.04521	100.0
87.18047	7.7
96.96017	28.4
121.02916	9.4
160.61269	7.4
187.12138	7.1
192.29883	7.9
236.24968	7.3
240.74129	7.8
261.05981	15.0
283.13855	15.4
289.09122	11.8
319.13812	63.5
321.41962	8.0
387.20358	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	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25765	0.8
59.01387	7.9
62.00301	0.8
69.52923	3.2
71.01379	2.3
71.85910	0.7
89.02454	4.7
91.04024	21.0
99.08181	4.9
102.73023	0.8
114.92400	0.8
118.88471	0.9
119.05048	1.2
125.09772	1.4
127.11290	2.4
155.14534	1.0
167.14404	1.7
171.10300	3.6
183.13870	7.9
193.12344	1.8
209.11848	1.1
211.13423	38.6
212.13722	2.1
229.14471	22.8
230.14769	1.9
284.95148	0.8
293.21182	3.0
311.22305	9.5
329.23361	100.0
330.23737	10.0
370.79364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77048	0.6
57.03455	0.8
59.01385	8.8
61.21201	0.6
67.25056	0.7
67.73268	0.9
67.80744	0.8
68.99819	0.7
69.32256	3.6
72.75830	0.7
75.63638	0.8
89.02443	4.0
91.04009	19.7
99.08167	5.1
124.22243	0.8
125.09739	1.4
127.10449	0.8
127.11320	2.4
135.04543	1.1
139.11263	1.4
155.14354	0.8
167.14429	1.6
171.10252	4.6
181.14890	0.8
183.13959	5.8
185.11938	1.1
193.12326	4.1
209.11839	2.1
211.13406	38.9
212.13768	3.2
229.14464	23.8
230.14911	1.6
242.65718	0.8
293.21280	2.6
311.22318	7.7
312.22592	1.2
328.96045	0.7
329.23349	100.0
330.23682	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	403.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	19.3
57.03681	3.3
59.01387	6.9
59.38826	3.0
65.56939	2.5
69.03459	8.4
70.25368	3.4
71.05037	17.4
79.75131	3.3
81.03013	5.6
81.03467	100.0
82.03804	4.6
83.05035	94.5
84.02173	20.7
96.96005	3.1
98.03764	5.7
99.04528	60.1
119.05005	7.0
123.08171	7.2
135.08147	7.2
137.53270	3.2
141.09137	3.3
147.08186	3.4
149.09656	4.2
167.10739	3.0
175.60538	3.3
180.74657	3.3
190.95148	2.9
204.25578	3.5
215.18129	5.6
227.18074	4.1
233.19115	4.8
234.46846	3.3
267.21225	10.0
273.22214	8.0
285.22318	53.3
286.22501	3.9
303.23248	26.1
337.25452	5.8
367.26401	8.1
385.27646	17.2
403.28687	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2855
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
55.60446	0.6
57.03450	1.2
59.98534	0.8
61.45204	0.5
61.98839	0.8
69.03459	2.2
69.22916	2.4
71.05025	6.5
81.03462	33.2
82.03815	0.5
83.05019	4.1
84.02171	6.9
96.95992	0.6
97.02958	0.8
98.03757	2.8
99.04530	17.1
100.04832	0.7
113.02517	0.5
126.90541	0.7
166.16879	0.6
173.76300	0.5
177.27988	0.5
233.67712	0.5
265.14761	1.0
273.22147	3.1
303.20010	1.0
303.23312	12.7
304.23679	1.6
317.21378	3.5
341.28424	0.8
385.27365	1.1
403.28558	100.0
404.28897	14.3
419.04907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81343	0.5
59.01363	0.6
63.58007	0.5
63.68393	0.6
65.00321	1.6
79.50670	0.6
91.01910	0.6
105.24050	0.5
117.03471	10.6
119.05003	1.2
121.87411	0.5
124.16966	0.5
134.39848	0.5
135.00891	4.4
135.04501	0.9
136.98793	1.2
143.05014	0.7
158.08661	0.5
159.04453	1.7
163.00388	14.9
164.98323	4.1
167.04984	0.5
175.99739	0.6
183.04536	4.9
185.02475	1.1
187.04088	0.6
211.04022	2.0
227.03561	6.3
239.03546	0.7
255.03009	19.1
256.03445	1.3
269.04611	1.2
283.02499	100.0
284.02823	9.0
297.04053	3.5
298.04813	6.8
389.05496	10.3
390.06064	1.4
404.07776	90.9
405.08008	13.2
405.16476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95870	0.6
59.01385	12.0
66.03458	1.0
68.99799	1.1
69.80632	0.8
69.80975	1.8
70.02970	4.2
79.95744	0.6
80.05053	0.6
81.03445	1.7
82.02979	4.2
82.06612	1.4
83.01415	0.9
85.02934	0.8
93.64009	0.5
94.02995	0.9
95.01392	5.6
96.00937	4.2
96.04557	4.8
96.96018	0.7
97.01711	0.8
97.03001	0.7
98.02493	0.7
108.04568	4.9
109.02939	0.9
110.02470	1.8
111.00857	2.0
113.02316	0.7
119.04951	0.7
122.02493	1.0
122.06139	1.6
123.04502	2.1
124.00378	1.5
124.04053	19.5
125.01199	4.8
125.02516	0.9
126.01984	1.4
126.05637	4.5
129.79807	0.6
135.04517	1.0
138.01918	0.6
138.05594	2.3
140.07178	0.7
148.04068	1.2
150.05630	1.6
151.03998	0.9
152.03552	4.5
159.04498	0.9
165.05586	5.9
166.05106	35.3
167.03476	0.7
167.05428	1.6
168.02960	0.9
168.06686	4.6
194.04585	27.5
195.04919	1.0
197.63715	0.7
199.04283	0.7
212.05637	2.7
238.03584	100.0
239.03925	6.4
241.64439	0.6
390.30087	0.6
404.09915	31.5
405.10226	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	404.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56250	0.3
59.01379	0.4
61.98837	100.0
72.99300	0.4
78.95931	1.0
79.29550	0.3
87.00883	1.2
92.92844	1.1
108.90220	0.9
110.03640	1.0
119.94740	0.9
138.97537	0.3
152.77632	0.3
181.41049	0.3
193.03807	0.4
198.89838	0.4
217.97882	0.4
228.97609	0.5
302.91092	0.4
399.11066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24199	0.3
51.56798	0.4
55.73946	0.4
61.98835	100.0
62.75475	0.4
71.01282	0.4
84.00581	0.4
88.95634	0.4
124.52185	0.5
239.79672	0.4
239.95209	0.5
240.94675	0.4
246.69035	0.5
253.75331	0.4
305.51523	0.4
312.96539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63657	1.3
53.47501	1.3
61.98835	1.9
64.01936	1.7
65.00342	7.6
65.99841	11.4
68.99828	3.4
69.47624	2.9
69.48007	2.6
80.21857	1.2
81.02225	1.8
87.31438	1.3
93.03465	11.9
94.03801	5.7
95.01358	1.2
96.00921	5.8
103.73684	1.4
108.00948	2.3
109.01729	7.4
109.02947	1.8
110.00101	4.4
110.02502	2.8
120.00931	5.7
121.01719	6.7
123.03319	3.1
124.01609	1.3
134.02492	4.3
134.03735	6.4
135.03270	4.4
135.04521	12.0
136.00429	38.3
136.04918	1.6
136.98811	1.6
137.01009	1.7
137.97743	1.3
138.02107	1.5
141.97319	2.3
151.02748	2.6
155.02211	1.8
163.99895	24.4
164.98492	1.5
165.00696	32.1
165.99069	1.7
169.06516	1.5
171.04535	3.5
180.08162	3.7
198.05617	2.9
204.05620	1.5
224.07103	3.8
226.05173	4.0
226.08723	2.4
240.06635	11.2
241.07155	1.9
242.08292	23.0
243.04929	2.0
244.08913	1.5
255.06543	2.6
267.02911	1.4
268.06174	100.0
269.06873	28.9
270.07745	78.3
271.05811	1.9
271.08115	5.9
272.08188	1.9
281.06308	1.4
282.06610	3.6
284.99130	2.8
309.05978	1.5
310.06213	3.7
351.36868	1.4
373.03790	12.3
376.10861	20.3
404.11298	27.5
405.11005	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	404.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02989	10.0
59.01389	23.5
61.98837	1.9
63.23356	1.3
71.01379	4.2
72.00923	2.5
73.02937	1.6
74.02481	25.7
82.02965	3.6
84.04557	2.2
85.02956	2.0
86.02475	9.0
86.06130	1.9
86.99111	1.9
87.05654	7.5
89.02463	2.9
90.00219	3.0
96.04596	1.4
97.04097	3.4
99.05658	26.1
101.02463	4.1
101.07196	2.4
102.05630	13.8
108.04556	1.7
109.04074	3.8
111.05672	2.0
112.04063	4.2
112.37955	1.5
113.03584	2.0
116.01765	1.8
119.03531	1.5
123.05634	1.9
124.04054	1.8
125.03582	2.9
127.05145	6.5
128.03555	60.7
131.04643	2.7
135.04517	12.1
135.05646	4.9
136.04852	2.2
141.06717	5.6
143.04640	90.5
145.06198	4.0
146.04585	7.7
153.06737	4.0
160.00760	20.4
165.09198	1.8
166.09883	3.6
167.04655	5.4
167.08322	2.9
171.07797	2.4
177.03421	8.7
179.04634	14.7
185.05707	3.6
197.05739	2.8
210.08842	18.0
225.05190	2.7
253.04718	3.9
254.07835	25.2
272.08926	38.5
273.09015	2.5
288.06650	10.7
294.55896	1.5
297.07709	1.6
306.07678	100.0
307.08081	7.5
325.23526	1.5
329.24365	1.4
345.15356	1.7
405.12885	2.5
405.17673	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	404.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77807	26.1
59.01392	46.7
61.98833	100.0
69.83398	84.8
85.47412	25.0
92.30773	24.4
161.03577	25.1
206.14218	28.6
245.72777	26.3
250.58281	23.5
333.86761	25.2
419.97913	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	405.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45547	3.8
59.01126	4.5
59.01379	27.8
60.99311	18.0
65.00320	5.7
69.03468	4.8
69.79815	8.1
71.01384	9.7
72.99323	27.8
75.00871	8.9
75.13783	4.2
78.95928	7.3
85.02965	5.9
88.98811	100.0
98.22604	6.1
101.02440	9.6
117.03479	5.8
119.04981	10.4
121.02956	22.1
135.02142	4.3
135.03012	27.4
136.98763	6.9
146.79170	4.4
180.65979	4.1
201.15045	18.0
203.24628	4.9
204.69299	4.8
268.21527	4.5
285.04068	19.2
293.03738	4.3
300.02856	59.4
301.03232	6.2
312.94098	4.2
315.05099	59.6
345.19327	10.3
363.20160	24.6
389.92413	6.5
405.02243	6.7
405.16718	7.5
405.21228	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.098
Annotation	Rotenonone
Peak:m/z	Relative Intensity
59.01377	2.5
62.40958	1.9
65.00325	23.2
69.04385	13.0
75.25042	1.7
79.87708	1.7
95.01408	2.0
96.96037	2.7
96.99342	3.1
106.00014	1.6
110.00127	14.2
111.00892	4.1
115.05543	2.0
119.05066	3.0
127.05551	6.0
131.05084	4.4
134.03731	2.5
136.98828	22.4
139.00365	6.0
140.03659	1.9
143.04991	3.8
147.04546	5.2
157.06551	2.1
158.03786	2.1
160.01654	3.9
161.06038	3.8
164.98322	36.0
165.99104	13.4
169.06683	2.1
171.04570	5.6
173.06047	2.9
185.06068	3.6
186.80103	1.9
199.03976	9.4
201.05598	8.2
201.09276	4.0
213.05638	4.6
215.03572	1.9
222.06891	2.4
224.04987	2.5
224.08459	24.8
225.05602	2.5
229.05054	2.8
239.10837	10.0
241.05074	3.6
243.02979	4.3
243.06607	3.1
245.09956	1.8
257.04572	2.7
257.09814	3.4
267.03024	4.8
269.04584	5.3
271.02524	4.4
271.11441	2.1
273.09293	3.1
275.10471	2.2
283.07776	2.4
285.04218	4.1
299.02063	5.3
299.10666	4.4
300.07837	4.7
301.08725	3.4
314.04446	7.5
317.08282	2.5
343.09641	2.0
344.06836	2.1
359.09085	5.1
361.10880	4.2
377.10251	4.0
378.71841	1.9
387.08820	15.2
405.09842	100.0
406.10007	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	405.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79516	1.1
65.00333	12.3
68.99848	1.9
72.99362	1.5
82.00604	2.7
87.74147	1.2
95.01424	1.3
96.99332	2.4
98.22565	2.6
108.02213	2.1
110.00103	37.3
111.00950	2.5
123.00898	1.8
124.01669	6.3
130.47906	1.4
136.01732	1.7
136.98776	10.0
137.99632	9.0
139.00378	6.5
141.99121	1.3
152.01157	6.0
157.06587	1.5
164.98294	9.9
165.99088	26.4
166.99828	4.0
171.04543	1.7
173.06079	1.6
181.06618	2.2
183.67284	1.5
185.06046	3.0
199.04019	1.8
209.06067	1.4
213.05505	1.9
225.05577	5.0
227.07094	1.5
241.05110	5.5
243.06613	26.8
243.08817	2.5
244.06854	1.7
253.05154	6.6
269.04538	29.5
270.05322	35.0
270.08194	1.8
271.06110	100.0
272.06393	8.0
373.03885	5.7
405.10687	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84793	0.9
59.01387	1.4
63.40904	0.7
69.27490	3.6
71.01363	1.4
71.58748	0.7
75.53063	0.9
82.02984	1.1
108.02180	100.0
109.02486	4.0
124.04086	1.0
149.57410	0.8
173.06100	2.5
200.04800	1.7
201.05579	99.0
202.05898	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	405.1345
Annotation	Asperlicin C
Peak:m/z	Relative Intensity
65.00319	1.4
68.99829	2.3
69.28687	5.4
78.01113	13.2
83.01394	7.5
87.93603	1.1
92.02008	0.9
96.95978	1.0
98.22668	1.8
110.00103	4.0
115.05544	4.0
137.99603	3.8
139.05556	2.9
141.07132	3.2
143.05031	8.2
149.99591	7.3
153.07121	1.4
157.06548	1.3
164.98210	1.1
167.05045	20.0
169.06592	9.7
170.06946	1.3
171.04500	0.9
173.06064	2.5
177.99118	2.5
181.06593	4.4
197.06081	6.4
198.06857	4.7
201.05620	3.1
208.05177	1.1
212.04842	6.3
213.05632	5.7
218.58934	0.9
225.05586	11.9
226.06366	38.3
227.06874	2.7
238.06288	2.5
239.03485	17.4
241.05081	31.4
242.05553	3.1
242.47870	1.1
254.05864	25.1
255.06192	2.5
267.03030	1.4
269.04581	16.8
270.05142	3.0
282.05447	2.1
283.11224	1.4
285.13055	1.1
287.10867	2.5
295.06146	1.9
299.10889	1.4
303.10229	4.8
312.24313	1.1
317.11780	3.7
327.10300	10.4
329.11865	2.8
331.09912	2.2
345.11353	49.9
346.11612	6.3
355.09738	12.2
356.10522	1.4
373.10840	92.6
374.11142	13.1
387.12454	1.7
405.13470	100.0
406.13794	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	405.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	1.4
68.99829	2.3
69.28687	5.4
78.01113	13.2
83.01394	7.5
87.93603	1.1
92.02008	0.9
96.95978	1.0
98.22668	1.8
110.00103	4.0
115.05544	4.0
137.99603	3.8
139.05556	2.9
141.07132	3.2
143.05031	8.2
149.99591	7.3
153.07121	1.4
157.06548	1.3
164.98210	1.1
167.05045	20.0
169.06592	9.7
170.06946	1.3
171.04500	0.9
173.06064	2.5
177.99118	2.5
181.06593	4.4
197.06081	6.4
198.06857	4.7
201.05620	3.1
208.05177	1.1
212.04842	6.3
213.05632	5.7
218.58934	0.9
225.05586	11.9
226.06366	38.3
227.06874	2.7
238.06288	2.5
239.03485	17.4
241.05081	31.4
242.05553	3.1
242.47870	1.1
254.05864	25.1
255.06192	2.5
267.03030	1.4
269.04581	16.8
270.05142	3.0
282.05447	2.1
283.11224	1.4
285.13055	1.1
287.10867	2.5
295.06146	1.9
299.10889	1.4
303.10229	4.8
312.24313	1.1
317.11780	3.7
327.10300	10.4
329.11865	2.8
331.09912	2.2
345.11353	49.9
346.11612	6.3
355.09738	12.2
356.10522	1.4
373.10840	92.6
374.11142	13.1
387.12454	1.7
405.13470	100.0
406.13794	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	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	95.0
61.98835	66.2
69.60300	4.7
69.60686	6.8
71.01389	51.3
71.22701	2.2
72.99312	4.0
73.02948	4.1
78.95913	5.0
83.01360	3.5
85.02942	10.0
87.00885	7.0
89.02455	68.4
95.01381	3.2
96.96011	6.8
98.22707	3.4
101.02451	28.6
109.02977	2.1
113.02452	21.3
116.97134	4.1
119.03516	29.6
121.02971	6.5
122.02517	3.0
123.00844	2.9
129.95517	3.8
131.08281	47.6
137.02501	2.4
138.03221	4.9
143.03529	4.0
147.96594	18.2
149.02446	19.5
149.04546	2.9
158.75198	2.4
161.04561	4.1
168.01828	6.8
173.10420	18.9
177.01949	100.0
178.02284	4.5
179.05650	5.8
184.01289	3.0
190.01349	4.6
191.03485	2.6
192.04301	56.6
192.97838	3.8
195.03030	6.0
196.05774	6.8
207.03883	3.3
207.06702	14.5
210.05374	8.6
214.02411	77.1
215.02530	7.5
225.07727	21.7
231.05049	63.2
232.05272	7.6
236.96886	6.5
238.94769	2.7
280.95892	10.5
310.13580	4.9
322.96643	4.9
352.15845	4.5
362.96109	3.1
369.18597	11.9
387.12881	8.4
404.96124	3.2
405.16638	13.8
422.97211	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37219	3.6
58.77824	4.7
59.01386	86.9
61.98837	100.0
66.79318	3.3
70.68429	6.5
71.01386	46.8
73.18031	3.5
73.82325	3.2
78.95902	3.8
79.14198	4.6
85.02953	9.9
85.82441	3.4
87.00880	6.7
89.02457	57.0
93.57751	3.7
93.85960	3.4
95.01369	4.9
96.95999	21.6
101.02464	26.6
113.02475	17.6
119.03520	26.5
121.02980	11.7
131.08240	12.6
147.96605	4.7
149.02440	15.5
177.01942	73.8
178.02318	4.1
179.05573	6.0
192.04333	39.0
195.02969	5.3
207.06636	12.2
210.05409	4.7
214.02394	18.5
225.07649	14.5
231.04959	20.5
241.07365	5.7
280.95844	4.8
290.67313	4.0
299.25574	5.2
317.08591	4.3
362.53995	4.0
369.18283	5.1
387.12799	5.1
405.15970	7.7
406.20032	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	405.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	26.4
61.98815	1.4
65.00334	4.2
70.00122	1.4
71.01382	5.7
71.58313	1.4
72.99341	1.7
73.02960	3.3
76.04598	1.3
84.95129	4.1
87.05669	1.6
89.02447	2.7
95.01422	1.6
101.02454	2.5
102.05631	2.7
107.01398	1.9
108.02206	1.7
109.02976	2.3
113.02470	1.7
113.07184	1.4
119.05045	18.1
120.05347	1.7
121.06586	1.7
123.00883	2.2
123.04549	2.7
125.02522	1.8
128.03552	12.6
133.06865	1.8
135.00868	2.5
135.04514	3.3
136.01651	3.6
136.98811	5.5
137.02473	18.3
138.03242	5.6
139.00401	5.6
140.59947	1.4
143.04686	2.4
146.03711	9.8
147.00911	2.9
147.04524	2.6
151.04059	3.6
152.01360	1.7
153.01915	1.9
153.06870	1.6
159.04518	2.0
161.06116	4.0
164.01183	4.1
164.04805	7.8
165.01947	100.0
165.05559	3.4
166.02507	5.8
179.03520	45.8
179.07112	12.9
180.04295	58.7
181.04947	4.0
187.04034	2.8
194.05867	6.5
195.03067	2.4
195.06636	67.9
196.06941	4.5
208.03572	1.9
209.04643	1.7
210.05313	11.2
212.08360	1.7
223.06129	2.6
225.07689	40.4
226.08165	2.3
239.07137	2.5
242.02396	1.7
243.06740	4.4
251.09300	2.8
256.07474	2.0
257.04611	2.9
267.06604	2.4
272.08969	1.9
272.23181	1.8
277.11960	3.1
283.06244	2.4
299.09207	8.8
315.08844	1.6
327.08777	39.4
327.12643	1.9
328.09085	4.4
342.11078	21.0
342.39319	2.3
343.11752	2.2
345.09903	4.7
345.15503	2.1
355.11884	6.7
357.13449	65.0
358.13760	8.2
360.12280	3.2
375.14548	13.5
376.14853	1.9
387.14417	9.7
390.16895	2.3
405.15555	20.1
406.15836	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	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92435	0.6
59.01385	33.6
59.17736	0.7
61.95524	0.6
64.55474	0.6
69.13685	4.3
69.34028	0.7
71.01386	15.4
73.02962	3.7
83.01392	0.8
85.02943	2.7
88.84212	0.7
88.95863	0.6
89.02456	15.3
95.01402	0.9
95.05011	0.8
99.04531	1.0
101.02444	7.8
113.02464	4.9
119.03523	6.2
125.58288	0.6
134.47699	0.6
134.48721	0.8
163.11360	3.7
174.04079	0.6
179.05624	1.2
181.12360	26.6
182.12666	1.7
192.97415	0.7
195.36273	0.6
198.18979	0.7
225.11343	100.0
226.11693	8.2
243.12447	0.9
405.17679	28.0
406.17932	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	405.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.2
59.01387	100.0
60.01721	1.6
66.22123	0.9
69.67661	3.8
71.01389	14.2
73.02956	19.6
74.02464	1.6
78.95911	1.4
82.54081	1.0
83.01400	4.4
85.02953	3.1
87.00900	1.4
89.02469	7.6
90.97176	2.3
93.03435	1.1
96.96017	1.9
97.02979	1.2
99.00854	2.1
101.02455	14.7
113.02486	6.6
119.03551	2.9
119.05028	12.1
121.02998	1.2
123.00848	1.1
123.04527	2.6
125.02519	1.0
125.39803	1.1
128.03590	1.6
131.03516	1.5
135.04523	3.5
136.98827	3.4
137.02527	1.2
139.00307	1.1
143.03517	1.0
143.04610	2.1
145.08723	2.1
146.96184	1.6
147.04526	1.3
151.03949	1.5
153.01923	1.2
160.04066	1.0
161.04591	2.9
183.10239	4.9
187.04045	1.2
235.06015	1.2
241.03912	1.3
243.05507	1.9
243.11745	0.9
251.09299	3.3
257.04590	1.8
261.06741	1.1
307.13971	4.1
311.10464	1.9
329.11407	2.1
343.12704	1.5
345.08868	6.2
345.15610	3.3
355.11966	5.4
356.12280	1.6
363.16684	6.5
375.14410	3.6
382.52429	1.3
387.14728	6.1
405.12631	6.6
405.17688	72.1
406.17947	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	405.1921
Annotation	Argentine
Peak:m/z	Relative Intensity
57.03443	6.3
59.01383	96.7
59.58938	1.9
69.03475	2.9
69.49967	9.8
71.01395	4.5
71.05035	6.5
73.02959	14.7
75.01263	1.8
83.05035	14.7
85.02959	32.9
87.04531	23.5
94.62312	2.1
98.21880	3.5
106.25923	2.1
109.06613	2.5
113.06133	4.7
115.04030	3.3
121.06618	2.4
126.03230	2.2
135.08145	7.4
141.35886	2.1
147.08147	2.7
165.09282	2.0
183.11806	2.3
185.13312	4.6
187.11365	3.2
189.12886	17.0
191.14424	4.9
201.12877	14.8
203.14400	22.4
217.16019	6.9
219.13925	47.0
220.14185	2.5
221.15439	15.3
241.00633	2.1
243.13878	3.2
245.15355	2.1
247.08011	2.2
255.17549	5.0
259.17087	3.9
261.15152	4.9
261.18600	4.1
273.18579	10.5
283.16934	3.4
287.42612	2.0
289.14496	48.1
290.14771	2.4
291.19687	74.0
291.22906	4.2
292.20023	7.7
301.18002	3.6
345.17032	5.2
377.19794	3.1
405.19208	100.0
406.19684	9.5
426.28183	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	405.1921
Annotation	isoadenolin A
Peak:m/z	Relative Intensity
57.91843	0.6
59.01369	1.4
69.13089	0.9
69.13485	3.2
87.04513	0.8
88.04884	0.8
106.79867	0.6
110.19094	0.7
114.56499	0.6
146.75056	0.7
217.04991	1.8
218.05896	1.1
244.09784	0.6
261.07687	2.8
262.08487	1.0
263.09247	0.7
285.11255	1.5
286.12219	1.7
300.13623	2.1
301.14429	6.9
302.14804	1.0
312.75867	0.8
320.14160	2.7
327.16040	5.2
329.13892	1.8
330.14914	2.1
333.97134	0.7
343.15549	1.1
345.17078	60.8
346.17313	6.6
405.19193	100.0
406.19543	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	405.1923
Annotation	Longikaurin B
Peak:m/z	Relative Intensity
55.01894	1.5
57.03447	9.3
58.00587	4.8
59.01384	100.0
69.03455	5.1
69.31678	3.0
69.32085	7.3
71.01376	3.7
71.05015	6.4
73.02953	13.7
81.14466	1.5
83.05038	25.8
85.02956	39.1
85.06583	4.4
87.04516	17.7
93.07098	2.4
93.88290	1.6
96.96036	1.7
97.02955	2.0
97.06584	2.9
98.22613	3.9
107.05018	1.8
109.06611	5.4
113.06103	6.9
115.04010	2.6
120.05772	1.8
123.08138	1.5
125.02438	1.6
135.04543	2.3
135.08183	11.2
150.59474	1.7
165.09174	2.8
169.10307	3.0
183.11736	2.0
185.13350	9.6
186.10516	3.2
187.11304	5.1
189.12854	23.6
190.13165	3.6
191.14464	4.7
199.11348	1.8
199.14983	1.9
201.12845	20.7
202.13112	1.8
202.45648	1.5
203.14401	31.0
204.14835	2.6
205.12402	3.5
217.15985	6.8
219.13910	55.1
220.14249	4.4
221.15480	21.0
229.15923	2.1
243.13921	4.5
245.15482	6.0
255.17557	9.6
256.17911	1.8
259.17075	2.6
261.15024	8.7
261.18564	4.9
265.14386	3.0
273.18518	9.8
274.19186	1.8
289.11218	3.5
289.14490	67.7
290.14862	6.9
291.19678	78.1
292.20074	9.5
296.28189	1.6
299.16559	8.3
301.18024	1.8
317.17480	3.1
335.18701	7.8
345.16934	9.6
377.19919	1.7
405.19238	93.0
406.14917	2.4
406.19565	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	405.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67739	0.8
59.01380	7.4
61.98835	100.0
69.52705	2.7
69.53125	2.1
71.01381	2.6
72.99324	1.8
73.02952	1.2
79.95768	1.0
81.03465	1.1
87.00887	2.0
89.02485	1.4
96.96025	1.6
101.02454	1.1
109.02962	1.3
110.02528	1.1
111.00914	1.3
113.02503	1.8
119.05068	1.3
121.02946	1.2
139.99388	12.7
147.04520	1.0
151.00380	0.9
153.99069	1.1
154.99825	1.8
155.01765	13.0
161.02356	1.2
166.02684	1.2
167.03517	1.1
175.02538	2.4
181.05144	1.8
189.05609	1.2
303.08823	1.0
317.10349	0.9
357.13287	1.4
379.23782	1.0
405.08417	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	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10640	20.9
58.77506	18.4
59.87254	17.9
61.98817	17.8
62.03594	20.5
69.18855	100.0
70.26489	19.3
88.98822	87.8
89.02449	43.5
98.21899	48.8
116.31652	24.2
117.65139	22.6
315.19388	64.6
367.13519	28.5
379.23453	21.5
426.60107	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	405.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	100.0
65.72230	77.0
79.95761	85.6
96.92294	78.7
96.96012	79.5
184.35341	79.6
191.52097	85.1
208.57431	81.0
389.60754	82.1
417.75906	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41251	11.3
61.98827	18.4
62.82548	13.0
69.92679	31.5
69.93041	30.8
74.81531	15.4
96.96013	14.6
97.46300	13.6
102.23201	13.6
103.18200	12.4
111.24789	13.1
114.26142	14.6
116.92879	100.0
194.16632	13.7
265.14871	30.8
310.77652	17.7
323.16891	40.3
404.64954	14.1
426.71054	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	405.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	8.5
57.03432	5.4
59.01381	12.6
60.32698	4.3
61.98837	5.8
64.64528	4.3
69.03471	11.3
71.05036	22.0
78.47360	4.6
78.95918	7.9
81.03468	100.0
83.05035	9.1
84.02175	20.6
97.02975	4.4
99.04525	87.5
119.08649	8.0
133.10260	11.8
156.04518	4.5
175.14944	4.9
201.16566	9.0
246.18465	4.5
257.22726	4.7
269.22842	10.3
291.19525	9.5
299.27817	5.0
332.56616	4.8
339.26822	15.8
345.13779	9.3
351.26843	14.2
405.19238	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	405.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.9
57.03449	3.9
59.01385	2.0
61.98832	1.2
69.03465	10.2
71.01402	1.5
71.05028	21.8
71.77392	1.0
72.99296	1.5
78.95913	2.2
81.03463	100.0
81.07111	1.4
82.03800	2.1
83.05035	5.4
84.02177	25.5
94.92525	7.8
97.02970	3.1
97.06619	1.2
98.03754	1.3
98.22726	1.8
99.04528	86.0
100.04877	2.2
101.06094	1.1
119.08690	10.0
121.10213	1.1
123.08166	1.1
129.92314	0.9
133.10251	6.7
135.08174	1.3
135.11855	1.9
137.09735	1.3
145.10281	0.9
147.11810	3.7
149.13321	0.9
161.13345	1.1
172.50989	0.9
175.14906	2.4
187.14935	1.9
189.16603	1.1
201.16464	6.7
203.18109	1.5
253.19580	1.1
257.22791	12.1
258.23004	1.4
260.18997	1.1
265.19620	1.5
269.22745	11.5
270.23096	2.0
275.23785	1.3
287.23877	9.9
309.25925	1.6
321.25769	3.2
327.26752	1.3
333.25848	3.1
337.52032	0.9
339.26920	15.0
340.27240	1.7
351.26895	20.0
352.27338	2.3
357.27911	1.8
363.12628	1.8
369.28165	2.1
387.29031	3.6
405.29990	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	405.3012
Annotation	Irisoquin
Peak:m/z	Relative Intensity
61.98817	0.6
66.12926	0.5
69.03474	0.9
71.05024	4.5
73.02955	1.8
79.75275	0.6
81.03463	20.8
84.02176	3.8
85.00448	0.6
85.02973	1.0
87.00869	1.3
96.96018	2.0
98.22723	1.0
99.04529	4.4
116.92877	9.9
153.60956	0.5
159.07896	0.5
168.11551	1.6
181.29068	0.6
188.02269	0.5
265.14725	1.2
305.24887	29.3
306.25211	3.4
319.22815	1.5
323.16876	0.9
323.61050	0.5
369.15140	2.7
369.27945	0.7
387.29028	2.4
390.54483	0.7
405.30133	100.0
406.21561	0.7
406.30487	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	406.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	18.8
60.44860	1.9
61.98837	13.2
64.18562	2.0
66.03468	2.4
68.99815	6.6
69.03448	2.5
69.61156	6.5
70.03005	3.0
70.17374	2.1
71.01383	11.5
72.99312	31.0
73.02987	2.2
82.95432	3.8
84.04546	10.9
85.02956	24.8
86.02501	6.6
87.00891	3.9
89.02444	4.6
93.03474	4.9
94.02998	9.5
95.01416	2.4
95.05051	3.9
96.00928	100.0
96.04553	12.0
96.96027	3.2
97.01696	7.5
97.02977	6.8
98.02491	4.6
99.00869	2.3
99.92594	2.9
101.02452	4.8
108.02170	2.8
109.02953	6.8
110.02483	26.3
111.00861	2.7
112.04058	48.3
113.02456	12.7
114.01969	14.4
117.03466	6.9
121.02986	6.8
121.49252	1.9
124.00407	2.1
128.03566	3.7
131.58916	2.2
133.02995	4.3
135.04527	4.3
137.02464	7.9
138.01965	3.0
138.05646	3.8
139.04010	7.2
140.03552	6.0
158.03720	2.0
159.04536	3.0
161.02470	50.8
161.04541	2.3
162.02788	3.3
164.03543	5.0
177.05560	4.3
178.96599	2.0
179.03485	5.2
182.04604	49.5
183.05025	3.5
184.02539	17.3
200.05667	4.4
201.05501	2.5
288.08783	4.4
346.11914	2.7
353.10965	2.0
362.08981	2.8
363.10904	3.4
406.08054	3.2
406.17511	2.4
407.13715	3.8
407.18219	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	406.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86456	0.6
57.03428	0.9
59.01385	100.0
60.01719	0.8
69.13728	3.8
71.01393	3.0
73.02973	0.9
80.96516	0.6
81.03509	0.6
82.03032	0.5
85.02963	1.7
89.02438	0.8
93.03487	0.7
96.96030	0.8
98.22692	1.1
101.02475	0.7
113.02505	1.5
125.02461	1.9
133.06647	0.7
137.02545	0.8
161.04611	2.2
165.05627	0.7
201.05632	1.1
286.04944	0.7
304.05914	0.9
407.13687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92654	2.1
57.33620	2.7
57.72908	2.2
58.02984	15.3
66.95374	2.8
68.96429	2.3
74.02484	32.3
82.02993	4.6
86.02511	13.9
86.06151	3.7
87.05662	4.7
95.80902	2.3
97.04078	4.8
98.22652	7.5
99.05650	32.5
101.07231	5.5
102.05616	4.0
109.04090	10.3
123.05653	3.6
127.05170	8.6
128.03564	76.0
133.06963	20.8
135.05659	7.4
143.04639	100.0
146.04604	16.3
153.06731	6.1
157.71967	2.3
166.09883	6.6
167.04662	3.2
167.08264	9.6
170.03351	3.2
171.04210	3.3
179.04663	27.7
185.05649	4.5
192.07814	4.3
197.05647	4.9
210.08893	22.8
254.07854	49.8
255.08240	3.0
272.08929	53.1
277.12305	4.8
388.15506	8.0
394.27081	2.5
406.16565	58.2
407.16699	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	406.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	17.7
59.01378	6.6
61.98820	7.2
71.01400	3.8
72.00920	4.7
72.99296	2.4
73.04071	2.5
74.02483	52.4
81.02246	1.7
82.06639	1.9
86.02496	8.9
91.05530	2.0
97.04086	5.3
98.11177	1.8
104.02890	3.4
104.03554	49.0
112.07695	4.9
112.37811	1.8
115.05132	2.3
116.05083	22.3
117.03436	3.0
117.07135	3.8
119.05061	3.4
125.03605	3.6
129.10359	100.0
130.08749	6.5
130.10728	3.7
133.02998	5.2
135.04550	5.2
145.02953	2.6
145.06599	2.5
153.10367	4.6
154.08788	2.2
155.11932	3.9
160.07686	11.4
164.07146	4.5
171.11420	70.9
172.07703	35.1
172.11729	4.1
173.07964	2.9
174.05661	2.8
186.05615	6.5
189.10487	2.4
197.12996	5.4
199.54221	1.7
204.06606	2.5
221.09375	4.4
242.11897	26.7
243.12344	2.9
247.27122	2.0
290.19043	2.6
301.15591	7.0
319.16660	23.5
332.19763	2.4
344.19849	16.6
345.20078	1.9
370.10217	2.5
376.14059	4.1
376.18839	75.5
377.19180	10.5
388.18781	3.1
406.19873	77.8
407.07928	4.2
407.20352	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	407.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
79.71176	0.5
117.03458	5.9
137.02391	0.5
153.01955	0.8
154.04253	4.1
161.02426	0.7
161.58731	0.5
165.01846	0.7
178.99904	3.0
182.03658	0.6
185.02432	0.9
198.03159	2.6
226.02728	15.0
227.03105	1.1
235.04013	1.0
238.02745	1.2
251.03329	0.6
254.02206	5.1
265.01440	0.6
266.02283	1.2
269.04559	14.0
270.05026	1.4
297.04059	100.0
298.04404	9.7
312.06387	13.5
313.06839	1.4
327.08749	98.7
328.09079	11.6
407.04382	15.3
408.04614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24429	0.5
69.16795	0.5
69.43980	2.0
71.34965	0.6
86.11183	0.6
99.00809	0.5
101.34403	0.5
103.83274	0.5
117.03477	7.4
151.00403	0.8
153.01970	1.2
154.04234	6.9
161.02457	0.6
165.01997	0.8
178.99905	4.1
182.03720	0.8
185.02435	1.4
198.03198	4.3
201.31850	0.5
207.04556	0.7
209.02368	0.8
210.03212	1.2
223.03987	0.9
226.02718	20.7
227.03096	2.3
235.04001	1.2
238.02702	1.0
241.04988	0.5
249.28917	0.5
254.02231	4.8
255.02504	0.9
258.01709	1.4
266.02203	1.6
269.04553	18.3
270.04861	2.0
297.04050	100.0
298.04413	11.8
312.06396	9.7
313.06796	1.2
317.35547	0.5
327.08746	95.6
328.09045	7.2
407.04437	13.9
408.04596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
103.17085	0.6
117.03451	5.6
126.66945	0.6
145.38646	0.6
151.00308	1.0
153.01947	1.2
154.04221	3.0
161.02449	0.6
178.99855	2.6
185.02428	1.0
198.03200	3.0
209.64613	0.7
210.03232	0.8
226.02716	12.6
227.03043	0.9
235.03912	1.3
254.02194	4.5
266.02261	0.8
269.04520	11.5
270.04797	0.9
279.86581	0.6
297.04050	100.0
298.04355	9.9
312.06421	11.8
313.06812	1.6
327.08740	93.1
328.09171	8.4
407.04434	14.2
408.04810	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04412	0.6
69.34407	1.1
69.34812	1.1
69.44152	0.4
98.22598	1.0
98.78346	0.4
114.68974	0.5
117.03459	7.2
127.50116	0.4
151.00346	0.9
153.01923	1.6
154.04242	6.4
161.02510	0.5
165.01927	0.6
167.04950	0.5
169.02983	0.5
178.99910	3.3
182.03796	0.6
185.02368	1.0
198.03236	3.2
207.04581	0.5
210.03185	1.0
226.02740	18.6
227.03090	1.6
235.04071	0.6
238.02769	1.3
254.02196	6.5
258.01718	1.2
265.01450	0.7
266.02145	1.2
269.04587	15.7
270.04990	1.7
282.01602	0.7
297.04059	100.0
298.04388	7.8
312.06448	10.1
313.06744	0.9
327.08755	100.0
328.09067	9.5
331.36154	0.4
407.04440	12.6
408.04770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
77.46248	0.6
98.21861	1.2
106.53114	0.6
109.06049	0.7
117.03465	9.0
120.16124	0.6
123.00876	0.7
151.00334	0.7
153.01947	1.4
154.04227	5.2
165.01855	1.0
177.01910	1.0
178.99879	4.0
185.02507	1.0
198.03215	3.5
210.03224	1.1
226.02736	18.8
227.03113	2.1
235.04004	1.4
238.02605	2.0
254.02246	6.5
258.01724	1.3
266.02246	1.7
269.04581	16.3
270.04849	1.3
297.04068	100.0
298.04416	8.4
312.06436	10.2
327.08774	98.0
328.09146	10.0
379.98813	0.6
389.66409	0.7
407.04437	13.7
408.04904	1.7
430.48834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57484	0.5
69.59534	0.9
69.59924	1.3
96.42646	0.6
98.22622	1.0
99.92548	1.1
109.39884	0.5
116.92867	6.4
117.03476	7.1
153.01857	0.8
154.04239	4.1
154.62172	0.6
163.45279	0.7
165.02005	0.6
178.99910	3.3
185.02357	1.0
188.96509	0.6
194.49019	0.6
195.79214	0.7
198.03200	2.8
226.02692	16.0
227.03024	0.8
238.02745	1.1
254.02216	4.4
258.01556	1.3
266.02274	1.4
269.04596	14.8
270.04959	1.4
297.04056	98.0
298.04379	9.6
312.06442	10.3
327.08762	100.0
328.09146	12.5
407.04486	18.7
407.09891	0.9
408.04959	2.7
430.54938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1617
Annotation	alclometasone
Peak:m/z	Relative Intensity
65.00324	1.2
65.99844	1.6
68.99826	0.7
82.02968	1.2
84.04551	1.8
96.96017	1.0
97.01659	0.8
98.02488	0.8
108.00902	0.6
109.01718	1.4
118.58695	0.5
120.00940	1.1
121.01685	1.4
136.00426	0.7
137.01234	0.8
143.05130	0.5
149.01250	0.5
151.00317	0.5
159.03285	0.6
165.00684	7.7
171.04541	1.0
173.05940	0.6
178.01530	0.6
217.09714	0.8
223.06282	0.6
235.10866	5.8
241.07379	0.8
242.08055	0.7
253.05176	0.6
256.50024	0.5
259.10822	1.0
268.06116	1.8
269.04559	1.0
269.06989	9.4
270.07443	1.6
272.09131	0.6
275.10413	1.2
280.06140	1.3
297.04022	3.7
303.09830	1.5
312.06284	0.6
321.15808	0.5
327.08734	4.6
334.54770	0.6
337.15634	0.6
339.17041	0.6
363.17255	0.8
365.15012	1.2
379.16446	1.3
407.16141	100.0
408.07355	2.2
408.16425	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	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.44995	1.2
70.71899	1.4
71.01386	1.9
87.83700	1.1
96.36259	1.0
96.96004	1.0
171.10284	1.3
181.06754	1.1
305.16132	3.0
407.18912	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	407.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53695	0.9
56.54457	0.9
59.01385	100.0
69.08016	3.5
69.08438	3.0
73.02943	1.2
93.07083	1.0
97.06576	2.3
107.05030	1.4
108.02174	4.0
119.08684	10.3
125.02437	3.0
145.10196	1.5
160.57375	0.9
162.94809	0.9
163.06276	2.1
163.07657	30.7
163.11136	1.0
164.07936	2.7
215.10773	1.9
229.15987	4.1
247.17204	1.1
255.13867	8.2
273.14987	74.4
274.15427	5.3
311.16385	1.8
347.18680	14.2
351.97861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.208
Annotation	Rabdoternin D
Peak:m/z	Relative Intensity
59.01385	100.0
60.01700	2.0
61.98804	1.5
62.69928	1.4
69.17001	8.6
75.29517	1.4
84.31968	1.4
87.04523	10.4
108.02200	3.1
119.05049	2.8
119.08657	9.6
125.02451	4.7
135.04536	1.5
159.73218	1.3
160.22151	1.2
163.07666	29.4
174.29962	1.3
178.09088	1.2
215.10832	1.4
229.16020	5.4
247.65564	1.4
255.13869	6.4
269.62125	1.4
273.14978	66.8
274.15344	5.3
275.16574	1.5
287.05765	1.5
309.20490	1.3
311.16605	2.0
347.18576	13.1
348.19089	1.8
389.16550	2.2
407.20667	4.1
425.02444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2207
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
62.79814	0.6
70.33298	1.3
74.42548	0.6
78.95911	100.0
90.81987	0.6
93.35439	0.7
96.96976	9.6
115.23222	0.6
150.98029	0.8
152.99606	82.7
153.99959	2.3
163.50763	0.6
171.00659	60.6
172.01065	0.9
183.01257	1.9
237.49870	0.7
325.18393	6.5
339.19983	1.6
402.50348	0.8
407.22229	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44028	1.8
50.44374	1.8
52.77002	1.9
58.74250	1.7
59.01408	1.9
65.61317	2.2
71.21422	2.8
78.95911	100.0
96.96956	7.8
108.97160	1.9
152.99611	77.8
171.00658	60.4
183.01219	19.2
197.02791	5.7
325.18417	52.8
326.18652	3.4
339.20050	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34801	12.7
70.26884	2.4
73.20698	2.2
74.36951	2.3
78.95905	20.9
85.04082	14.8
96.96987	2.8
128.06287	2.5
129.04201	100.0
145.15094	2.2
152.99619	20.1
171.00706	13.0
183.01260	23.2
184.01889	2.5
197.02748	3.1
224.16881	2.5
254.25562	2.4
277.21771	32.1
325.18472	72.9
326.18835	10.3
339.20078	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	408.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09013	1.1
62.32895	0.9
65.99862	4.2
69.43868	1.2
70.95702	1.5
74.65607	0.8
76.01924	1.7
76.94836	1.1
92.52051	1.1
98.19666	0.9
104.01433	1.7
116.01417	3.6
120.00950	5.9
144.00949	6.4
148.00424	2.8
160.00429	2.7
164.98232	1.0
171.04506	1.8
172.00453	8.7
172.82724	1.1
187.99931	7.7
189.00662	1.4
191.26938	1.0
199.99910	3.6
215.99405	9.5
220.07677	1.1
225.11978	1.0
243.98888	27.7
244.99246	2.3
248.07127	1.9
250.04984	1.0
264.06647	3.5
276.01477	2.0
278.04541	1.5
280.05948	1.4
292.06149	10.3
293.06680	1.9
298.04382	1.7
320.02042	2.0
320.05655	29.8
321.05945	2.5
348.05161	100.0
349.05524	11.9
356.89285	1.1
373.58441	1.2
380.07813	8.8
393.04053	4.1
408.07217	9.6
409.07248	1.5
409.12039	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	408.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.0
65.00334	1.8
65.99846	4.5
68.99821	1.5
69.11497	5.3
92.01408	1.1
92.99783	0.8
105.02259	1.0
111.00919	3.8
120.00928	9.8
120.99361	2.3
124.00402	2.1
133.01678	3.7
136.00418	4.0
139.00412	1.5
144.00896	1.4
145.01741	1.1
148.00414	9.3
148.98795	0.9
149.01244	1.7
149.02345	0.9
151.99872	1.0
160.00391	1.0
163.99904	4.3
164.03520	1.0
171.04536	2.4
172.00447	2.0
173.01157	1.9
175.99901	18.3
176.03587	1.3
177.00458	1.9
188.03529	1.0
189.00687	8.0
190.01334	1.2
191.99387	4.5
199.99902	1.4
204.03023	1.9
205.00098	0.9
208.02702	0.9
215.99452	1.1
217.00201	5.5
218.00970	3.1
220.02444	0.9
222.05745	0.9
224.07249	1.9
226.05162	1.9
230.00983	1.1
231.98849	2.4
232.02505	2.0
240.06668	3.1
243.98962	1.9
250.05191	1.1
252.06694	1.3
254.04666	1.7
260.02063	1.6
262.05170	1.5
264.06610	1.1
268.06180	10.3
269.06622	1.0
276.01630	3.9
276.06604	2.8
279.05145	0.9
280.06171	3.4
293.06958	1.9
294.07486	1.3
296.05621	17.1
297.06052	1.3
298.04422	1.1
302.02994	1.9
304.01013	19.1
304.06042	4.6
305.01431	1.3
306.04120	1.1
320.05820	3.8
322.06870	0.9
326.73083	0.9
330.02515	6.7
336.08939	2.3
338.06616	1.7
346.03842	0.8
348.05164	4.9
350.68649	0.8
352.08197	2.4
360.03195	0.8
366.06232	2.3
376.08517	1.0
380.07791	15.1
381.08041	2.1
393.04929	2.3
408.07275	100.0
409.07629	15.8
409.12546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12807	7.2
61.98836	100.0
67.59377	6.1
69.76178	28.3
96.92187	10.2
98.21853	15.8
99.92611	17.6
100.61014	8.2
100.93376	9.6
103.73231	7.2
115.92100	19.3
116.92879	32.2
118.28346	7.2
143.64355	7.5
205.15923	15.6
238.47878	7.7
269.07178	10.1
271.96692	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	408.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01717	4.2
61.18922	2.5
61.98825	6.6
71.01377	10.2
73.02973	11.5
83.01365	3.2
85.02980	5.1
89.02451	3.2
101.02469	6.6
107.51385	2.5
113.02477	3.9
117.03459	6.2
119.05021	4.6
123.12417	2.5
133.02937	3.7
135.04524	6.4
145.02992	2.0
163.32477	3.1
171.10248	3.8
172.10608	3.8
203.01042	7.7
247.05832	2.6
247.13753	3.1
284.03284	8.2
323.02087	4.1
365.04099	4.2
409.14365	3.3
409.19296	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	409.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32032	0.8
69.16099	4.6
88.63202	0.7
118.46035	0.7
122.99712	0.6
123.00788	0.7
133.02946	2.2
136.98825	3.1
141.15297	0.8
145.72888	0.8
152.01125	1.9
164.98323	5.6
173.49416	0.8
180.00670	0.7
199.04016	4.4
201.01956	1.7
227.03645	2.7
243.02808	1.8
268.03653	1.1
271.02478	12.3
285.04135	2.8
296.03329	1.9
299.01990	73.4
300.02386	6.1
313.03491	3.6
314.04318	36.2
315.04648	3.6
329.06680	100.0
330.07043	11.9
409.02478	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	409.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.9
69.47110	1.8
69.47495	2.2
79.95741	51.8
80.96525	0.9
96.48834	0.8
110.00124	1.8
133.02925	4.7
135.78456	0.7
136.98805	1.2
163.00377	6.2
164.98315	2.4
165.99121	1.7
199.04082	5.3
200.04582	0.8
201.01985	1.3
227.03462	5.0
230.02528	0.7
230.05585	1.0
243.03023	3.1
244.03577	0.9
255.03012	3.1
255.68071	0.7
265.36502	0.8
270.05228	1.5
271.02484	6.4
299.01990	39.0
300.02420	2.1
313.03647	1.1
314.04330	100.0
315.04724	10.4
329.06671	47.2
330.03653	0.8
330.07007	4.5
350.06595	0.8
409.02350	79.3
410.02646	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	409.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69999	0.6
65.00322	0.5
69.09076	3.0
90.62957	0.5
110.04544	0.5
112.00562	0.5
115.77836	0.4
116.54118	0.5
122.19497	0.5
130.27879	0.5
133.02983	2.1
136.98817	2.3
139.00333	0.6
151.00446	0.5
152.01207	0.6
163.22073	0.4
164.98297	4.2
178.99883	0.6
180.00668	0.8
183.04538	0.6
199.04008	3.7
201.01944	0.6
205.01392	0.8
227.03493	2.4
243.03004	1.6
255.03091	0.5
268.03793	0.8
271.02466	11.9
272.02850	1.1
285.04129	2.2
296.03192	1.1
299.01993	64.5
300.02295	6.3
313.03638	3.9
314.04349	33.6
315.04675	3.6
329.06677	100.0
330.07025	11.2
409.02332	2.8
410.02667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	2.1
69.57391	1.7
69.57755	0.8
79.25529	0.5
87.95370	0.4
92.99845	0.5
120.99314	0.6
125.62891	0.6
133.02957	10.4
134.03326	0.7
136.98798	7.1
152.01178	0.8
159.21263	0.4
164.10175	0.5
164.98303	20.1
165.99081	2.6
169.35753	0.6
180.00659	5.9
181.01480	2.5
185.02440	0.9
195.03049	1.3
201.01854	0.6
211.04137	0.6
227.03502	1.8
253.01521	0.5
255.02849	0.8
271.02515	7.6
296.03064	0.5
299.01984	55.6
300.02341	5.0
313.03424	0.5
314.04346	32.7
315.04724	3.5
329.06677	100.0
330.07037	11.8
409.02396	11.2
410.02612	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27227	0.5
59.88963	0.6
65.00349	0.8
69.27226	3.0
83.21183	0.6
83.89259	0.6
110.10189	0.5
115.72292	0.6
119.05025	0.7
123.00936	0.8
127.16988	0.6
133.03055	1.8
136.98814	2.5
139.00357	0.8
150.80826	0.7
152.01210	1.5
153.01968	0.8
164.98285	6.1
177.01947	0.6
180.00635	1.0
199.04062	3.9
201.01875	1.3
227.03461	2.8
243.02963	1.3
255.02936	0.8
268.03745	0.9
271.02472	10.3
272.02893	1.1
285.04062	2.1
296.03247	1.6
299.01984	70.7
300.02347	5.3
309.73056	0.7
313.03659	2.9
314.04340	41.9
315.04791	4.1
329.06683	100.0
330.06985	10.1
409.02292	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
65.00307	1.4
69.47741	6.8
71.01417	1.4
98.21922	2.0
111.71828	1.4
133.02963	8.3
136.98830	5.3
164.98299	16.6
165.99075	1.8
180.00632	3.8
183.70967	2.0
227.03526	1.5
239.32263	1.4
271.02686	7.3
271.05432	1.4
278.08350	1.9
299.01990	50.2
300.02274	4.8
314.04349	25.7
315.04642	2.3
329.06683	100.0
330.06906	9.4
350.06677	1.5
365.19968	1.7
408.13364	1.6
409.02325	9.3
409.14783	4.2
409.19397	2.0
410.02414	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	409.04
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45807	0.6
69.24001	0.7
98.21770	1.0
117.03442	8.4
118.03859	0.7
154.04274	6.2
154.05367	0.9
156.04918	0.9
160.92810	0.8
161.02367	0.8
178.99873	4.4
182.03732	1.2
185.02502	1.0
198.03140	2.4
226.02751	15.6
227.03108	3.9
228.03275	5.6
235.04002	1.4
238.02657	1.3
254.02187	5.8
256.02808	2.1
258.01718	0.9
265.01343	0.8
267.02686	1.2
269.04575	14.5
269.07434	1.0
270.05051	3.6
271.05145	4.8
297.04053	93.9
298.04410	17.7
299.04645	51.4
300.04919	2.8
312.06467	9.8
313.06833	1.7
314.04102	1.8
314.07071	5.0
327.08749	100.0
328.09079	12.6
329.09439	56.7
330.09763	4.1
409.04443	24.2
410.04947	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	409.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.40147	0.3
71.01401	1.8
79.95737	2.8
80.96522	3.8
85.02935	0.8
87.00887	0.8
89.31924	0.4
96.96019	100.0
97.95892	0.5
101.02438	0.8
108.02183	0.8
113.02457	0.5
123.04531	0.7
138.97081	8.3
143.03551	0.6
150.97104	1.0
152.01161	2.6
164.98619	0.5
167.03499	3.8
168.98166	0.9
180.98178	0.5
222.99182	1.2
241.00253	52.6
242.00484	2.2
342.00079	0.4
346.34610	0.4
396.03061	0.4
409.04498	30.6
410.04807	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	409.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.5
61.98826	0.5
62.43678	0.3
64.30756	0.2
69.17065	1.1
69.17467	0.5
71.01393	3.4
72.99312	1.7
73.02948	0.8
75.00891	0.4
78.95919	0.4
79.95739	3.2
80.96517	3.3
83.01374	0.3
85.02950	2.0
87.00886	1.3
89.02453	0.6
89.93595	0.2
89.98024	0.3
95.95238	0.6
96.96018	100.0
99.00892	0.6
101.02441	1.4
108.02187	1.1
113.02485	1.8
122.97614	0.6
123.04528	0.5
125.02476	0.4
131.03580	0.5
136.01645	0.4
138.97084	9.0
138.98164	0.6
143.03476	0.7
150.59343	0.3
150.97095	1.3
151.04007	0.4
152.01172	2.7
161.47089	0.3
164.98651	0.7
167.03491	2.5
168.98076	0.3
180.98128	0.7
193.03525	2.0
207.05193	0.8
215.01855	0.3
222.99167	1.5
236.39728	0.4
241.00244	46.1
242.00560	1.9
291.41003	0.3
341.10904	0.4
409.04471	26.8
410.04819	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	409.045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98835	0.3
69.68030	1.0
71.01382	2.4
73.02953	0.5
79.95741	3.6
80.96523	4.0
83.01389	0.3
85.02948	0.8
87.00871	0.8
95.95238	0.4
96.96020	100.0
97.95956	0.5
99.00845	0.3
101.02470	0.8
101.51443	0.3
108.02193	1.1
113.02483	0.7
122.97608	0.6
123.04532	0.5
138.96045	0.6
138.97089	9.2
138.98163	0.5
143.03476	0.4
144.29228	0.3
147.75365	0.3
150.97098	1.2
152.01186	2.6
164.98596	0.8
167.03511	3.2
168.98116	0.7
180.98068	0.7
222.99234	1.6
229.04433	0.6
241.00247	47.3
242.00516	1.8
318.43347	0.3
391.07370	1.0
409.04468	31.3
410.04819	3.5
413.20160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	35.9
61.10921	3.8
70.57117	7.3
71.01390	19.0
72.99314	39.0
73.02946	9.9
73.48810	3.8
78.95903	15.5
85.02953	26.2
89.02447	14.5
92.92812	30.9
95.01340	4.1
96.96976	5.9
101.02456	14.2
103.00367	13.1
108.90211	4.2
108.95311	3.8
110.89893	6.3
113.02468	37.4
131.03468	7.4
133.01408	4.2
149.26299	4.3
188.46397	4.6
193.03546	100.0
197.91545	4.2
333.05884	5.4
397.09314	4.3
409.05948	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	409.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20673	1.1
57.03441	4.2
59.01385	25.6
61.98821	1.5
67.01875	1.6
68.99810	1.6
69.03038	6.2
69.03443	2.6
71.01386	18.7
72.99300	4.7
73.02929	1.4
75.00883	5.6
80.91663	2.5
82.50497	1.3
83.01387	2.2
85.02959	39.7
87.00865	5.9
87.57711	1.1
89.02457	3.8
95.01408	11.0
96.96022	11.3
98.22691	2.7
98.99425	1.7
99.00888	14.3
99.92586	5.3
101.00948	2.0
103.00375	6.1
108.02190	1.3
111.00874	1.5
113.02462	79.1
114.02801	1.7
115.00381	2.2
117.00426	4.6
117.01936	5.6
129.01910	1.9
136.01672	100.0
137.02022	3.6
138.97110	1.4
141.00452	9.3
145.31171	1.2
151.04019	97.3
152.04391	5.5
157.01382	2.2
175.02495	30.1
184.99326	1.8
201.03055	1.4
209.04654	1.2
241.00272	6.6
251.15976	1.4
257.01587	17.9
257.94736	3.6
272.34482	1.1
282.42453	1.3
322.36804	1.3
327.07251	24.5
328.07339	1.4
409.03973	3.0
409.99890	1.7
410.04999	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	409.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42744	0.5
55.47389	0.4
59.01385	0.8
61.98848	0.8
65.70074	0.5
69.81127	0.4
70.29706	0.5
70.30009	0.8
71.01373	0.7
72.99307	0.9
74.24368	0.5
75.32157	0.4
78.95914	44.7
89.02483	1.2
96.96089	4.6
96.96973	100.0
108.90202	0.9
111.00900	0.5
115.94962	0.4
116.64669	0.4
130.28323	0.4
131.03529	0.6
133.01390	0.6
193.03558	1.7
198.08456	0.6
225.81926	0.4
241.00372	0.6
352.77454	0.5
409.07526	0.6
432.02676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	5.2
65.84356	0.6
78.95917	0.9
84.93867	4.8
91.39610	0.6
93.03465	0.8
93.82751	0.5
98.22808	1.4
99.92593	50.5
100.92658	2.3
100.93369	30.2
101.93404	2.1
107.08655	1.1
112.43703	0.5
112.93790	0.9
115.92088	36.5
116.92868	100.0
117.92899	5.6
120.46185	0.6
121.76986	0.6
137.09680	0.9
156.92320	3.7
171.10300	1.5
181.03374	0.7
209.02728	1.5
212.98770	1.0
225.02213	4.6
237.02315	1.1
241.01761	1.7
247.92407	0.7
253.01678	0.8
255.03308	2.7
256.04031	0.9
261.02335	0.6
269.07040	0.7
270.07333	1.1
271.07828	0.9
272.04416	1.1
284.03629	2.3
287.02240	1.4
318.05441	0.8
373.11139	26.1
374.11560	4.4
387.09146	2.4
391.12268	5.5
392.12350	1.0
401.07098	0.7
405.09845	1.1
409.13257	43.1
410.13596	6.4
433.18326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.2
57.03444	6.7
57.97984	1.3
58.00605	1.6
58.32002	1.4
59.01381	100.0
63.94872	1.5
69.03429	3.0
71.01386	94.0
72.99303	5.7
73.02948	23.0
74.99117	1.7
75.00859	1.6
79.95737	4.1
80.40864	1.5
80.96508	2.0
83.01401	12.2
85.02955	41.7
86.00130	2.4
87.00884	15.6
89.02452	46.5
93.03461	2.4
95.01392	9.6
96.96019	8.8
97.02952	6.4
98.21897	4.0
99.00874	7.0
99.04522	2.1
101.02451	77.8
102.02875	1.7
109.06621	2.1
111.00883	2.1
111.04522	2.5
113.02457	40.3
119.03513	25.3
119.05011	3.6
123.04529	2.1
125.02435	5.5
127.03986	1.8
129.01953	2.8
131.03505	13.1
134.04735	3.2
139.03929	1.4
143.03481	7.8
145.38364	1.4
147.08165	2.4
149.04591	2.0
159.02989	5.3
159.04411	1.9
159.08083	2.0
161.02507	2.1
161.04579	32.7
163.07642	1.4
167.03491	1.6
173.06113	2.5
179.05627	36.2
180.05792	1.5
180.64836	1.6
187.07700	1.7
199.07759	1.8
221.06667	49.3
222.06947	2.6
228.98328	1.8
247.11952	3.9
263.07678	6.8
276.49182	1.6
298.57693	1.7
303.12408	1.7
303.15894	1.9
321.13297	2.7
333.53467	1.9
353.58221	1.6
365.12347	2.9
365.16330	3.7
409.11545	3.8
409.16861	27.3
410.17755	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	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
57.03444	2.4
59.01384	100.0
60.01726	1.7
69.03481	0.6
71.01390	21.7
72.01701	0.6
72.99326	0.8
73.02953	21.3
81.03507	0.5
83.01396	4.9
85.02955	12.4
87.00911	1.1
89.02451	4.6
94.93903	0.5
95.01401	1.8
97.02962	1.5
99.00880	6.6
101.02451	31.7
111.00871	1.2
112.01711	0.8
113.02467	9.4
125.02467	1.9
129.01935	0.9
131.03488	3.0
143.03499	1.7
159.02995	1.8
161.04590	10.7
161.05888	1.1
169.08746	1.0
191.05721	0.6
217.10902	3.0
235.11882	38.6
236.12302	2.5
277.12881	3.4
349.15021	1.7
367.16089	46.9
368.16525	2.7
409.17114	42.5
410.17535	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	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
57.03453	1.2
58.91186	1.0
59.01385	100.0
63.70049	1.0
69.03461	1.5
69.29356	4.4
69.68303	1.1
71.01387	22.2
72.00906	1.0
72.99319	3.0
73.02951	9.7
79.95757	1.9
83.01395	5.2
85.02965	18.6
87.00877	4.4
89.02462	4.3
93.03448	1.4
95.01383	2.8
97.02968	4.1
99.00931	4.9
100.00423	2.4
101.02456	17.9
107.05008	1.4
108.02180	3.0
109.02950	2.6
111.00887	1.9
112.01646	1.3
113.01707	2.0
113.02462	25.4
115.04015	1.5
115.59730	0.9
115.68369	0.9
119.03506	1.2
119.05057	4.6
123.04560	3.2
123.43645	1.0
125.02476	4.0
133.03044	0.9
134.06186	1.6
135.04543	1.4
137.02480	1.8
143.03499	2.6
147.28242	1.0
152.03468	1.0
159.03117	1.4
161.04626	6.9
162.05650	1.2
163.04076	2.7
164.03650	1.6
169.08658	1.1
180.06680	2.6
206.04652	2.3
215.05579	1.2
230.53763	1.0
235.11917	19.0
256.50104	1.0
277.12921	4.6
305.16238	3.5
330.10153	1.5
331.13803	1.7
349.15076	27.0
350.15417	3.0
367.16104	32.9
368.16260	1.8
409.17038	2.9
410.05545	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	409.1873
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
52.41622	1.0
55.01871	1.1
57.03451	1.9
59.01387	11.5
61.98828	5.8
68.99813	1.3
71.01389	14.4
71.42950	1.0
73.02949	7.2
75.00883	1.2
77.50780	1.1
83.01372	2.6
83.15519	1.2
85.02950	8.9
89.02485	1.2
92.02695	2.7
93.03466	30.2
94.03819	1.4
95.01403	2.2
99.00889	2.9
101.02460	9.7
108.02174	2.1
113.02452	4.7
117.03419	1.8
119.09809	1.0
121.02945	2.2
129.01944	1.0
130.29266	0.9
131.05107	1.0
131.67346	1.0
132.99606	1.1
136.01657	5.2
137.02454	61.9
138.02802	1.8
139.02821	1.0
152.22153	1.0
159.02942	1.7
166.14035	1.2
177.04007	1.5
179.84485	1.0
191.03543	1.6
200.63266	0.9
205.76657	1.1
281.06653	2.8
294.42770	1.0
299.01749	1.0
323.21979	1.2
329.06644	2.2
393.42691	1.1
409.18680	100.0
410.19080	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	409.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67368	1.8
57.03460	2.8
57.97558	3.2
59.01370	7.2
68.69033	1.7
70.07401	1.7
71.40138	2.0
78.95910	4.6
79.95301	3.0
79.95747	43.4
80.91709	9.8
81.03443	2.1
83.05058	2.7
85.02952	9.5
95.95230	3.7
96.96021	89.2
97.02943	10.2
97.06590	2.5
99.92604	11.8
100.93389	3.5
115.92080	2.7
116.92826	2.9
117.03461	5.8
123.04371	1.9
127.11288	2.4
134.55928	1.9
137.09709	3.6
139.11275	3.4
163.11249	3.1
165.12889	15.3
171.10297	18.2
173.30481	1.8
179.10472	2.7
183.13931	2.5
193.08528	21.6
193.12250	2.2
203.10715	3.2
205.12036	5.1
207.10126	10.0
211.13403	22.1
219.10022	4.5
221.11713	9.0
223.11879	2.4
229.14487	22.0
230.14801	2.1
231.10054	9.4
233.11644	78.7
234.11841	5.9
249.10046	6.3
249.10954	7.9
251.11479	41.2
252.11584	6.9
261.11176	19.8
279.11087	2.6
294.05624	4.6
313.17856	4.6
327.21786	44.8
328.21939	4.8
329.23160	14.2
331.18942	12.1
332.19141	2.0
349.19937	65.8
350.20425	9.0
409.09854	3.4
409.19037	100.0
410.14258	4.5
410.19406	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	409.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64881	0.6
53.14745	0.6
59.01387	0.8
61.98847	3.3
69.62444	1.8
74.94434	0.6
96.96017	2.4
97.93105	0.8
98.21937	1.2
100.93381	1.8
108.01683	0.6
110.00111	0.6
112.90671	0.6
115.92085	3.1
116.92869	7.3
131.54732	0.7
134.04475	0.6
137.39565	0.7
152.87088	0.7
152.99683	0.9
165.11368	0.6
180.89052	5.1
183.01173	3.5
183.13914	16.9
195.13914	24.5
196.14282	1.6
197.02763	5.3
198.03548	1.7
199.02341	0.7
213.14986	100.0
214.15306	5.1
291.19669	2.3
309.17349	1.3
309.20685	1.2
311.16913	7.8
318.68271	0.6
325.18469	24.1
327.18182	4.3
409.09988	0.7
409.24277	1.3
409.29501	9.0
410.16226	4.5
410.29733	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	410.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.97570	13.1
59.01387	10.7
61.98827	0.9
71.05009	3.3
83.01388	1.7
89.00359	2.1
91.01507	1.3
93.03453	1.6
94.95128	1.1
96.04568	9.4
96.96037	2.4
98.06107	6.6
110.00110	3.2
117.03477	16.5
120.01257	2.0
126.05627	85.2
127.05949	2.1
133.02995	1.6
135.04533	2.9
141.32300	0.9
160.98796	8.5
165.99091	9.0
170.04634	2.6
172.05330	4.3
173.06023	2.6
181.01456	2.9
182.03705	2.9
185.02461	9.5
186.03271	1.9
187.04164	1.4
203.03497	1.7
204.03375	100.0
204.99338	2.1
205.03670	4.1
217.04991	2.1
229.08690	17.7
236.04684	1.0
253.72606	1.2
254.02240	1.1
255.03012	1.7
259.06210	3.0
281.00961	9.8
282.01773	9.2
313.03357	1.3
325.01788	1.1
335.09302	1.6
379.08365	12.6
396.08508	2.1
411.10855	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	410.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
72.00914	3.6
74.02452	0.8
79.95737	13.5
80.96510	4.1
85.02985	0.5
93.03468	2.7
96.96047	0.7
100.00411	15.7
101.35582	0.7
107.05022	4.7
108.02179	19.7
109.03004	2.9
110.42793	0.6
113.02457	1.0
119.05035	34.5
120.05363	1.1
123.03619	1.1
123.04530	18.7
133.05357	1.0
134.06129	8.3
135.04489	0.8
136.07715	0.9
137.36644	0.6
151.02866	0.7
152.03543	4.3
160.93871	0.5
163.02843	1.0
163.04010	24.2
164.03513	16.4
164.04770	0.9
165.04184	1.3
166.05090	0.9
178.05084	0.8
180.06670	20.9
181.07004	1.2
185.99902	0.8
191.02168	0.8
206.04599	23.9
207.05014	1.1
214.01796	8.7
220.06250	0.9
224.05530	0.9
236.12068	0.7
264.93527	0.6
271.08630	3.9
277.92200	0.6
278.94031	0.6
284.09329	0.8
286.10861	9.3
287.11224	0.7
330.09830	19.8
331.09891	1.2
366.06436	2.6
410.05530	100.0
411.05795	9.4
411.16980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57902	2.1
59.35263	1.7
63.01123	2.5
64.01929	3.0
65.00316	4.6
65.99854	73.0
69.18535	11.9
72.35560	1.8
73.35805	1.8
89.99870	3.8
102.12827	2.3
107.00103	4.5
108.00928	8.3
119.00137	27.1
120.00927	8.4
120.04526	1.8
130.02986	1.9
132.00932	5.6
133.01750	10.2
134.02461	4.3
134.99658	3.2
136.00395	8.6
146.02460	3.9
146.99637	17.2
148.00401	6.5
149.01180	2.8
158.02477	6.5
160.00351	2.8
161.01184	4.5
162.01939	5.5
163.02708	2.1
163.99915	5.9
164.03528	3.9
171.04514	8.8
174.01930	8.6
174.99123	29.8
175.02632	3.0
175.98409	4.1
175.99902	62.7
186.01978	3.7
189.00676	21.9
190.01402	4.4
191.02235	8.7
196.06070	4.7
202.01439	21.4
203.02069	3.1
203.99338	5.6
204.95720	2.4
207.01695	3.3
208.07610	2.4
213.05586	2.9
216.02884	2.0
217.41530	2.0
218.00932	9.0
223.06351	2.8
225.03662	2.2
228.03136	2.2
230.00963	6.5
234.03809	2.3
235.01199	3.2
236.07253	2.7
238.05043	3.3
238.08302	7.9
246.00493	16.8
250.00084	2.2
250.05000	6.0
251.05779	3.7
252.06592	7.5
263.00693	7.1
264.06598	4.7
268.06064	10.5
270.07880	2.9
273.99991	28.4
278.04623	6.3
278.08282	7.4
279.05362	21.8
280.06143	100.0
281.06458	10.6
290.08200	2.5
292.06186	2.4
293.06992	30.5
294.07623	9.4
295.04797	6.4
306.07715	21.7
307.04932	2.8
307.08282	5.0
308.05554	9.5
319.04758	2.6
322.07217	35.1
323.07663	4.6
334.07281	21.1
335.07672	2.6
336.05017	3.1
336.28091	2.1
350.06656	17.3
350.10989	4.5
351.07407	10.4
366.09839	16.8
367.06848	25.0
368.07486	7.5
378.06207	74.3
379.06485	9.7
410.08945	16.2
410.13965	11.0
411.08899	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	410.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80489	0.6
65.24042	0.6
65.99839	1.1
68.99803	1.5
69.87765	0.6
70.14476	0.8
70.14821	1.3
71.74673	0.5
83.14839	0.5
98.22490	0.8
103.00611	1.5
109.02958	0.7
115.05556	1.2
119.00120	0.7
126.46025	0.6
127.05555	1.4
136.03983	1.2
140.05096	4.7
143.05104	0.7
146.99631	0.9
164.03479	2.5
166.06587	1.1
167.05148	0.8
168.04695	0.6
171.04495	4.3
178.06525	2.4
181.05307	1.1
182.06058	1.2
183.04477	1.7
190.06631	5.3
196.06216	3.2
205.05338	1.3
206.06087	4.0
209.04773	2.7
210.05602	1.5
222.05571	2.0
234.05592	17.0
235.05952	1.8
238.08391	6.5
250.05016	0.8
251.05887	0.9
252.06644	1.1
262.04883	0.8
269.04410	1.1
278.04605	27.0
279.04828	2.8
291.05197	1.0
304.05978	1.3
306.04102	23.4
307.04407	2.3
308.09335	1.1
322.11954	0.7
339.42203	0.6
340.09805	10.8
341.10104	0.8
343.54337	0.6
350.11185	2.8
354.11224	1.9
368.09329	5.3
378.10666	0.7
382.10867	8.6
383.11084	1.5
410.10208	100.0
410.47870	0.6
411.10538	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	410.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00347	0.6
61.00850	0.8
63.61677	0.4
65.00351	0.9
65.99874	0.8
68.99854	0.5
70.95735	0.6
77.00334	0.4
77.98974	0.4
89.00373	1.2
92.99884	0.4
103.00638	2.3
115.05535	3.4
119.00118	2.0
120.01064	0.5
127.05547	2.3
139.05493	0.5
140.05072	8.0
143.05099	0.6
146.99648	1.5
151.05540	0.8
152.05035	0.5
156.57506	0.5
163.05667	0.9
164.03520	0.8
166.06656	1.9
167.05057	1.1
171.04576	1.6
173.06090	1.3
178.06618	1.9
180.32933	0.4
182.06129	1.7
183.04546	2.6
187.99944	0.6
190.06645	8.0
191.07054	0.9
194.06126	1.0
201.05553	2.1
202.49112	0.4
205.05299	1.2
206.06126	6.2
207.06699	0.5
209.04932	0.6
210.05630	2.6
222.05626	2.9
223.05911	0.5
233.04771	0.6
234.05617	25.5
235.06004	2.4
237.67130	0.5
238.08392	1.8
249.04338	0.6
250.05067	1.8
252.06682	1.0
262.05182	1.2
278.04605	37.3
279.04871	3.2
282.22223	0.5
291.05435	1.8
304.06143	0.6
306.04102	98.0
307.04440	10.4
332.05679	0.5
338.11789	0.6
340.09793	1.9
350.11337	1.0
354.11417	0.9
368.09198	0.7
378.55872	0.5
382.10886	8.7
383.11096	1.4
409.31073	1.2
410.10321	100.0
411.10675	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	410.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.6
61.98835	100.0
68.72398	1.4
69.89315	3.6
69.89645	1.4
71.01383	2.3
73.02946	4.1
82.81377	1.3
85.02968	1.3
87.71800	1.3
89.02454	2.2
94.61406	1.3
98.22570	2.5
99.04561	1.3
101.02442	2.3
113.02425	2.0
293.04953	1.5
323.97632	1.5
369.14957	1.7
411.16330	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	410.1359
Annotation	Altanserin
Peak:m/z	Relative Intensity
68.99816	2.4
71.40636	0.9
79.01891	2.8
92.05077	4.9
93.03454	2.1
99.00893	1.4
107.01396	4.7
108.04553	1.6
109.02948	1.8
109.06513	0.8
109.10402	0.8
117.03490	3.4
118.03042	1.3
118.03844	2.5
120.04551	6.3
121.02973	1.6
125.02412	1.6
134.07208	1.0
135.05647	0.9
136.04073	9.4
137.02443	1.2
143.78426	0.8
146.02448	1.3
150.06696	3.6
151.00392	2.7
152.07176	1.9
154.04163	0.9
155.04564	1.6
160.04005	1.2
164.03548	36.2
166.02695	5.5
167.03438	2.2
168.06682	1.5
171.04486	1.8
178.06290	8.5
179.03404	1.9
183.19577	1.0
196.06165	35.9
197.06522	1.2
199.03693	0.9
206.05760	5.4
220.06148	1.4
221.05737	1.0
226.02719	1.9
227.03062	7.1
228.03416	0.8
229.03546	1.4
235.02435	1.6
236.05811	1.2
238.08351	65.0
239.08620	3.2
246.04004	2.1
255.02542	1.8
261.89926	0.8
264.10330	1.3
269.04477	1.8
270.04868	4.9
271.05078	0.9
272.05328	1.2
278.07977	1.3
282.31891	1.0
297.03992	6.9
298.04401	42.3
299.04715	7.1
300.02121	1.1
300.04922	13.6
306.07315	3.3
306.11154	1.2
313.06741	5.8
315.04742	3.2
327.08688	1.0
328.09109	48.4
329.09659	4.3
330.06818	3.0
330.09988	14.0
331.10379	0.8
350.10422	6.7
368.11520	4.3
372.15829	0.8
393.10968	1.3
410.04602	8.7
410.13599	100.0
411.14029	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	410.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99816	2.4
71.40636	0.9
79.01891	2.8
92.05077	4.9
93.03454	2.1
99.00893	1.4
107.01396	4.7
108.04553	1.6
109.02948	1.8
109.06513	0.8
109.10402	0.8
117.03490	3.4
118.03042	1.3
118.03844	2.5
120.04551	6.3
121.02973	1.6
125.02412	1.6
134.07208	1.0
135.05647	0.9
136.04073	9.4
137.02443	1.2
143.78426	0.8
146.02448	1.3
150.06696	3.6
151.00392	2.7
152.07176	1.9
154.04163	0.9
155.04564	1.6
160.04005	1.2
164.03548	36.2
166.02695	5.5
167.03438	2.2
168.06682	1.5
171.04486	1.8
178.06290	8.5
179.03404	1.9
183.19577	1.0
196.06165	35.9
197.06522	1.2
199.03693	0.9
206.05760	5.4
220.06148	1.4
221.05737	1.0
226.02719	1.9
227.03062	7.1
228.03416	0.8
229.03546	1.4
235.02435	1.6
236.05811	1.2
238.08351	65.0
239.08620	3.2
246.04004	2.1
255.02542	1.8
261.89926	0.8
264.10330	1.3
269.04477	1.8
270.04868	4.9
271.05078	0.9
272.05328	1.2
278.07977	1.3
282.31891	1.0
297.03992	6.9
298.04401	42.3
299.04715	7.1
300.02121	1.1
300.04922	13.6
306.07315	3.3
306.11154	1.2
313.06741	5.8
315.04742	3.2
327.08688	1.0
328.09109	48.4
329.09659	4.3
330.06818	3.0
330.09988	14.0
331.10379	0.8
350.10422	6.7
368.11520	4.3
372.15829	0.8
393.10968	1.3
410.04602	8.7
410.13599	100.0
411.14029	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	410.1361
Annotation	Altanserin
Peak:m/z	Relative Intensity
52.69518	1.2
58.04085	2.6
60.97647	1.4
65.00323	1.8
65.99857	1.6
68.99833	2.7
78.80196	1.2
79.01896	4.2
92.05063	5.5
93.03472	2.0
98.21873	2.2
99.00858	1.6
105.89571	1.3
107.01402	4.5
108.28123	1.8
109.02985	2.0
112.01551	1.7
120.04579	5.6
121.02975	1.6
125.02470	1.6
135.00864	3.3
136.04041	11.2
150.06720	1.8
151.00357	1.9
152.07213	2.1
162.02071	1.4
164.03548	42.0
165.03932	1.9
165.55936	1.5
166.02744	6.3
167.03558	3.0
168.06657	2.2
171.04506	8.5
178.06361	6.7
179.03516	2.4
196.06165	39.7
197.06360	2.2
206.05632	7.2
209.82776	1.4
220.06172	2.5
221.06026	1.6
227.04773	1.3
235.07664	2.9
238.08342	74.4
239.08766	2.7
251.07228	2.1
263.07187	1.5
267.03033	2.6
269.04526	2.0
270.07751	2.5
292.10101	1.7
303.77768	1.6
306.07513	3.5
322.10745	2.8
329.06894	1.6
332.77914	1.6
334.12186	3.2
350.10861	9.8
366.09744	2.2
368.11536	4.3
378.06274	4.7
378.10883	3.1
379.63733	1.5
393.10699	1.5
399.40897	1.7
410.13623	100.0
411.13965	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	410.146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07273	47.3
69.07686	100.0
69.60537	17.0
70.64728	17.1
71.05846	20.8
71.95895	21.9
88.59055	20.7
133.28365	19.8
157.82350	21.7
163.07619	42.7
226.48956	21.7
321.47855	20.9
394.30988	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	410.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40400	0.8
55.11700	0.9
61.98835	14.7
62.82170	0.9
63.36594	0.9
83.71112	0.9
99.92597	1.9
107.82854	1.0
131.16138	1.0
163.11288	2.4
183.01187	5.7
197.02783	32.4
198.03525	8.0
211.04303	2.5
230.02530	1.9
234.14919	1.3
249.43547	1.0
312.25980	0.9
325.18436	100.0
326.18756	14.2
410.16223	18.6
410.27084	2.8
411.09360	2.1
411.16479	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	410.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75162	7.9
61.98836	100.0
63.05608	7.6
70.96200	9.0
73.78976	8.2
82.02470	7.5
86.06144	8.0
88.37154	7.9
92.15500	7.3
96.92236	14.4
100.25291	8.1
104.12245	7.9
167.58919	8.5
222.57828	9.2
348.50574	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	410.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.55389	13.3
99.92585	9.9
108.46633	3.6
115.92057	5.5
116.92860	16.2
117.92908	5.5
135.04489	3.8
166.40404	4.0
183.36937	4.9
298.01059	13.5
312.07706	7.6
395.64886	4.5
396.08481	7.8
409.90686	5.1
411.10739	25.8
411.20688	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	411.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47456	1.2
53.85281	1.2
55.01864	1.2
57.03441	2.2
59.01382	23.4
61.07099	1.1
61.98834	3.0
62.37053	1.5
71.01387	14.7
71.40035	1.6
72.99301	7.2
73.02958	1.7
74.99378	5.4
75.00866	7.4
80.24430	1.2
83.01384	2.8
85.01467	5.2
85.02954	24.7
87.00881	4.9
89.02453	5.3
89.84301	1.2
95.01396	8.6
96.96033	3.1
98.99396	17.3
99.00877	12.5
99.99476	2.4
101.00965	14.5
101.02473	1.7
102.98863	9.1
103.00386	2.6
107.05029	2.1
111.00892	5.7
113.00979	7.7
113.02462	41.4
114.98964	1.8
115.00401	2.0
117.00452	41.9
117.01882	1.7
118.00477	1.9
120.02201	2.9
125.00969	6.0
126.98894	15.0
127.02494	1.6
129.00542	1.7
129.01956	3.3
130.98444	1.8
136.94003	1.7
138.03273	6.4
141.00456	67.2
142.00598	5.5
142.98341	6.4
143.01978	2.7
145.00032	1.9
145.03006	1.3
151.02489	1.7
153.00447	19.9
153.05582	25.3
154.00659	1.8
154.05934	1.8
154.98373	2.6
155.02031	4.9
157.00046	1.5
157.03555	3.9
168.99953	19.4
170.00090	1.5
171.01424	3.5
172.99438	5.3
175.02487	12.4
177.05743	1.4
179.05630	1.7
183.01564	3.3
184.99437	9.4
195.01445	6.2
196.99434	6.0
220.02298	2.0
257.01544	100.0
258.01651	12.5
329.08801	30.2
330.09064	2.3
351.05914	6.9
355.30612	1.3
357.11746	1.8
365.03696	1.4
374.10223	1.7
411.07864	49.2
411.13297	2.7
412.08023	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	411.1092
Annotation	58C
Peak:m/z	Relative Intensity
59.01387	21.5
65.00331	7.4
68.99823	5.3
69.03486	1.5
69.20351	10.1
69.52788	1.6
71.01385	8.6
81.03469	6.0
83.01410	3.8
85.02960	3.8
89.02444	5.1
91.01918	2.3
93.03467	12.9
95.01407	6.2
96.96021	5.6
97.02990	2.0
99.00893	2.1
101.02467	7.9
107.01414	12.4
107.05087	2.1
108.02180	6.8
109.02965	6.0
111.00909	1.7
112.70435	1.5
113.02472	3.2
117.03482	100.0
118.03814	3.5
119.05062	5.7
121.06609	4.6
123.00898	4.3
123.04546	12.0
125.02448	10.0
127.04030	1.8
130.04308	2.3
132.02249	1.9
133.02950	3.4
134.03680	1.9
134.76602	1.7
135.04552	7.7
139.00401	2.0
139.71216	1.5
141.03540	2.6
143.05019	3.1
145.03011	2.5
145.06616	5.5
147.04512	2.9
149.06038	3.3
151.00385	21.3
151.04041	2.8
152.01144	7.6
153.01897	4.2
158.03766	7.8
159.04549	10.7
160.98842	2.7
161.02440	6.7
163.04050	5.6
163.55298	1.9
165.99094	2.1
167.03519	40.4
171.04517	3.8
171.08173	1.8
172.05338	3.1
173.06120	14.8
174.03180	4.1
177.01947	2.8
181.05119	4.4
183.04398	2.3
185.02487	16.2
185.06119	2.1
186.03033	2.8
187.03976	7.1
187.07675	5.3
189.05637	12.4
197.06033	2.4
199.04027	2.2
201.05621	2.0
202.02682	3.9
203.03519	8.9
203.07166	3.7
209.04544	6.1
211.03806	2.1
211.07620	2.1
213.01932	3.1
213.05553	4.3
215.03574	2.3
215.07191	10.6
217.05064	12.1
221.06093	2.7
221.08147	2.1
227.03484	3.6
231.06653	10.4
233.06039	2.1
233.75456	1.8
235.07704	2.1
237.05556	3.5
241.05032	1.8
248.04686	2.5
248.08521	2.5
249.05508	3.4
249.07736	4.6
250.06482	4.9
253.05199	2.4
257.04623	2.2
259.06070	5.7
263.07199	3.4
263.10733	3.2
265.08643	5.1
266.05945	4.6
267.06497	1.8
269.06696	1.9
275.05765	4.9
276.04343	3.5
277.05142	2.6
279.06519	2.8
279.10281	2.5
280.10129	1.7
281.08133	4.4
283.06192	6.7
289.08670	3.9
291.06631	5.5
291.09875	3.0
292.07132	3.0
293.04803	2.6
293.08267	4.9
294.05588	1.9
295.06033	4.0
306.05313	3.4
307.06241	4.5
307.09769	17.7
308.10318	3.6
309.07596	1.8
317.08261	12.6
323.09286	4.1
333.07864	4.0
335.05637	3.4
335.09244	25.0
336.09619	3.3
339.08795	3.1
347.09296	2.3
351.08667	7.2
353.10364	34.4
354.10779	1.9
361.07480	2.6
367.08197	18.6
367.11862	3.3
368.08835	5.1
379.08243	21.1
383.11426	3.4
393.09808	6.7
396.14124	5.9
411.10849	72.6
411.16611	75.2
412.11072	8.2
412.16470	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	411.1276
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.71221	1.0
52.23712	0.9
58.78572	1.1
59.01374	3.3
69.38538	1.7
69.38931	3.9
69.63128	1.1
71.01385	2.9
72.00921	22.9
73.02949	1.7
74.02483	26.3
78.95921	2.0
85.02978	2.1
92.99788	1.0
98.21806	1.4
99.00924	1.3
100.00420	23.6
100.04086	1.4
101.02444	1.6
113.02449	2.1
114.05553	1.2
118.05118	100.0
119.05501	1.5
133.77716	1.1
143.38240	1.2
144.03046	15.3
160.02647	4.7
161.04596	3.3
188.67900	1.0
195.50017	0.9
209.04582	3.1
268.88770	1.1
277.65912	1.1
373.07224	4.3
398.39572	1.2
411.14911	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	411.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01381	14.0
60.99421	0.9
61.98841	1.7
62.96413	1.1
67.32443	1.1
69.66021	4.3
71.01390	3.3
73.02946	1.5
78.95911	2.5
81.03463	6.5
85.02957	3.1
93.03468	2.6
96.96021	4.2
98.21946	2.0
99.04526	41.3
101.02451	24.3
113.02455	2.0
114.05569	1.7
117.03483	3.5
119.05038	5.9
125.02460	8.4
133.02951	1.8
134.03751	52.7
135.04185	1.4
136.01697	2.0
137.02441	7.7
140.33290	1.0
140.59322	0.9
143.03502	1.4
147.04506	1.9
149.06090	34.3
150.06454	1.2
151.65662	0.9
160.70630	1.1
163.04013	2.7
172.28848	1.0
178.02727	12.6
189.28032	1.1
192.04288	2.0
193.03288	2.3
193.05069	47.1
194.05380	1.7
206.92018	2.3
212.79645	1.0
249.07588	5.1
264.13925	1.1
267.08749	32.4
268.09152	2.5
307.15738	1.0
309.09869	16.6
349.12955	10.2
367.13873	3.8
410.98361	3.5
411.16675	2.4
411.21188	1.8
423.32761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55556	1.2
59.01388	100.0
71.01389	13.1
71.07162	2.2
73.02959	19.1
81.03479	1.5
83.01402	4.1
83.05038	4.9
85.02995	3.1
89.02460	4.7
101.02473	13.9
107.62483	1.2
113.02460	6.8
119.03521	2.7
119.05017	1.7
137.09741	6.2
161.04608	2.4
162.07001	1.3
189.12819	2.1
236.43555	1.3
302.21558	1.2
364.01596	1.3
399.00833	1.5
411.27353	5.1
411.77530	2.9
412.27597	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	411.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.4
59.01373	4.1
65.00323	1.3
70.54642	2.3
72.07854	1.1
80.91677	8.6
83.05056	1.4
93.03464	1.6
93.60322	1.1
95.05008	1.2
99.08166	2.1
99.92606	5.9
115.92000	1.1
117.03474	10.0
119.04930	1.8
127.11301	2.0
135.04465	2.2
139.11328	2.4
153.12900	1.3
159.04559	2.0
159.18034	1.1
163.04060	2.2
163.11272	2.1
165.12851	16.1
171.10291	6.1
183.13873	3.1
185.02473	3.2
185.09372	1.4
189.05620	1.2
193.08461	12.0
193.12279	3.2
202.02797	1.4
203.03445	1.2
203.10486	1.3
205.12129	3.1
209.11771	1.4
211.13403	21.3
215.10663	1.4
219.09999	2.0
221.11642	8.4
229.14493	10.8
231.10136	8.0
233.11624	100.0
234.11865	5.3
249.11348	10.2
251.11447	19.4
251.12550	21.3
252.11337	2.2
294.05457	1.4
329.23352	44.4
330.23639	3.9
351.21524	69.2
352.21750	8.2
375.12775	1.6
379.08209	2.4
411.10883	9.9
411.22519	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	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03183	10.9
59.01387	81.4
70.19799	15.7
78.95896	15.2
88.96271	8.0
91.00297	8.3
94.03288	9.0
96.96021	57.0
111.46538	8.2
151.14275	8.6
172.79308	9.1
183.01297	12.1
183.12546	8.5
183.93930	8.4
216.17406	9.2
242.87700	9.1
326.18817	66.8
353.20010	100.0
411.16287	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	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
67.31748	6.8
70.27427	9.8
70.27784	20.7
71.65875	6.9
95.01849	8.2
96.96019	10.3
98.22005	8.0
109.17235	7.9
109.92684	6.7
112.66795	7.4
113.43869	6.8
164.03398	8.0
171.04523	9.8
238.08458	8.1
269.04407	11.2
395.32178	8.2
411.13489	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	412.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26495	1.9
51.33640	1.7
58.04095	3.6
59.01367	2.3
65.00336	2.6
81.03439	2.6
81.12746	1.8
83.02488	6.5
83.05025	1.9
83.79571	1.7
89.72406	1.8
93.03416	8.5
98.19744	2.1
107.04980	5.6
108.04539	4.2
110.00080	6.0
111.00883	29.2
117.03474	4.7
119.04956	2.5
120.04539	4.1
122.06083	6.1
123.00856	2.7
123.04480	4.2
133.02925	4.1
134.03743	15.2
134.06003	2.4
135.04543	100.0
136.04858	4.3
136.98692	2.0
138.05559	12.4
139.00391	47.9
140.01173	10.6
146.06142	2.6
147.04468	2.5
148.03952	2.3
150.05580	2.9
152.07156	16.4
153.01872	3.6
159.04391	3.2
161.01347	2.2
161.02467	31.2
162.05542	5.6
164.07076	7.7
164.08298	2.4
164.98296	2.2
173.02316	2.4
180.07715	5.9
186.03348	1.9
189.58099	2.1
190.05057	7.3
200.01062	4.3
206.09380	13.8
208.06151	30.1
209.06306	1.8
215.03539	2.3
216.02583	1.8
232.07179	3.0
234.60176	1.8
238.08498	3.2
247.77821	2.3
250.08337	22.4
267.02878	3.2
296.09229	2.8
297.07510	2.9
298.04285	4.5
300.04755	8.0
301.03455	11.8
302.04074	7.8
328.08914	3.7
330.09763	11.8
366.67590	2.2
368.12314	12.0
370.09225	16.7
387.73468	2.2
401.74634	2.4
412.11273	72.0
413.11664	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	412.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19315	0.6
58.04110	3.4
58.26476	0.7
59.01378	0.9
60.55727	0.7
65.16192	0.6
71.42678	0.6
72.34129	0.7
72.70406	0.6
75.73874	0.6
82.04022	0.6
84.05640	0.7
86.02494	0.7
89.68332	0.7
90.35536	0.6
93.03474	6.1
95.01398	1.2
106.19796	0.6
107.05052	3.0
108.02173	1.7
109.02982	2.2
110.00157	0.9
111.00900	1.7
111.04515	1.7
115.79597	0.7
117.03455	3.7
119.05039	0.9
121.02969	4.2
122.06089	2.3
123.00871	1.4
123.04514	1.6
132.80867	0.8
133.02957	1.6
134.03751	13.6
134.06151	0.7
135.04541	100.0
136.04881	3.1
137.06097	0.8
138.05621	12.1
139.00372	1.5
146.06104	1.5
147.04558	1.3
148.04108	1.6
152.07195	0.7
158.03824	1.8
159.04536	4.3
161.02478	12.9
162.05656	2.2
162.06834	0.9
164.07158	4.8
164.08257	1.3
180.07835	17.3
185.02394	1.1
190.05043	6.5
203.03529	1.6
206.04518	0.8
206.09325	1.6
208.06126	11.0
208.07645	0.8
230.05605	1.1
230.83832	0.9
232.07312	4.4
250.08354	27.9
251.08800	0.8
269.04553	4.8
276.06329	1.2
330.09665	1.0
370.09296	3.2
391.11630	0.9
394.10434	2.9
412.11517	96.3
413.11819	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	412.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00328	1.5
50.96867	1.0
59.76499	0.9
63.80336	0.9
64.01909	1.7
65.00333	6.2
65.99863	6.0
68.99815	2.0
69.10413	7.2
70.38944	0.9
72.97226	1.0
79.86890	1.0
90.03470	1.0
91.00664	1.1
96.00939	2.7
104.01475	1.0
107.00149	1.8
108.00956	1.2
109.01695	1.7
110.57236	1.0
115.05521	2.7
118.03012	1.2
120.00931	3.3
121.01706	1.5
133.01711	3.4
134.02521	7.5
136.00429	8.0
142.06625	7.1
143.05063	10.3
151.00414	1.7
161.01176	4.0
162.02013	1.8
163.99911	9.2
165.00720	5.3
166.06659	8.1
168.08226	1.5
169.06622	2.4
170.06134	3.7
171.04555	6.1
175.99902	2.9
184.07674	4.2
185.06230	1.4
189.00671	10.3
190.06662	1.3
192.08200	1.8
194.06154	3.8
196.07710	1.7
202.01445	2.8
207.06796	1.6
208.07640	5.2
209.06155	1.6
210.05624	3.5
212.07211	10.5
218.06187	2.7
220.07721	5.0
222.05531	1.8
223.06299	1.8
224.07098	1.9
226.05278	1.3
234.05545	2.0
235.06232	1.3
236.07187	9.5
240.06691	2.7
242.08186	1.3
243.06769	1.2
248.07167	1.8
249.08070	1.0
251.05922	2.0
252.06615	9.0
253.04884	1.2
253.07196	1.2
255.06581	6.0
262.05121	3.5
264.06708	5.2
265.07513	2.4
268.06186	12.9
269.06860	2.3
270.07654	4.7
277.07523	3.2
278.04645	2.6
280.06189	13.6
290.04602	8.8
291.05038	1.4
293.07028	7.3
306.04126	2.0
306.07504	1.7
308.05817	6.5
309.05774	1.3
317.06836	1.7
321.06018	1.3
342.11108	1.6
356.12915	2.0
366.11404	7.3
368.13123	3.0
376.09879	1.3
384.12433	32.4
385.12805	4.7
389.60724	1.2
394.10867	53.0
395.11285	7.4
412.11929	100.0
413.12375	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	412.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67613	1.8
56.69436	1.8
58.04101	6.0
60.00874	1.6
68.85741	1.7
68.99823	2.0
69.20828	7.5
70.18108	1.3
75.40894	1.6
93.03487	2.4
104.02695	1.5
105.03477	4.0
109.02954	2.5
111.00902	2.5
117.03463	8.9
119.05054	2.3
120.02232	2.5
121.02985	4.5
123.00861	1.8
123.04548	3.5
133.03036	5.1
134.03812	4.0
135.00951	1.7
135.04524	16.3
136.01738	2.4
137.02422	2.0
138.05653	3.7
139.00417	2.6
145.03012	2.0
147.04564	3.2
148.01694	10.1
149.02408	11.3
151.04056	6.0
159.04573	2.0
160.04060	2.1
161.02464	18.8
162.03175	2.7
163.00401	2.3
164.03595	2.0
171.04497	1.6
173.06110	9.2
174.03273	1.8
176.01212	10.8
176.03587	2.0
177.01950	31.2
178.05122	3.0
179.03551	2.6
180.07800	3.9
187.00427	5.5
188.03598	1.9
189.01979	9.0
190.02631	4.4
190.05159	2.3
191.03563	3.7
195.08215	3.7
202.02794	2.6
203.03581	2.8
205.01492	3.0
206.04605	27.5
206.06683	1.8
206.07466	2.1
207.05025	2.2
208.06097	2.3
219.08139	7.6
221.09795	5.5
223.07817	5.6
225.05701	1.9
231.03046	3.3
232.07271	2.4
234.04274	1.8
235.07808	5.5
236.08310	2.6
237.09261	7.9
238.09543	1.5
239.07253	2.9
247.07744	4.0
248.06937	4.0
249.09294	5.7
250.06360	2.1
250.08578	3.8
251.07123	3.3
252.07999	5.7
252.10437	2.8
253.08694	12.5
254.09262	1.7
255.10493	2.0
262.06500	2.8
263.07169	15.2
264.07950	6.0
265.08716	24.5
266.09286	2.6
266.12048	2.4
267.06732	10.9
267.10364	4.2
268.07419	23.1
268.09857	1.9
269.04681	6.0
269.07516	1.6
275.07230	3.4
276.10425	3.6
277.08673	8.1
278.08954	2.0
279.06583	3.6
280.07382	14.6
281.08200	24.9
282.08734	2.8
282.11615	3.7
290.06058	4.5
291.06659	43.0
292.07169	3.6
292.09988	13.9
293.08197	15.2
294.05328	1.5
294.08325	2.7
294.11414	24.4
295.12109	1.9
296.06180	2.4
296.09164	8.9
297.10086	16.2
302.04623	1.4
303.06720	4.8
308.09082	2.0
309.07721	32.0
309.11151	2.6
310.07916	2.4
310.10913	17.1
310.79404	1.5
320.09357	12.2
321.07809	22.5
321.11307	6.9
322.08191	3.2
322.11871	1.9
323.09265	20.7
324.09625	3.2
336.13748	4.4
338.10416	62.0
339.12326	49.3
340.08673	2.0
340.12576	5.0
341.10284	19.3
352.11902	7.1
353.10254	18.5
354.10858	2.8
362.11554	6.5
370.12982	83.6
371.13333	10.1
380.12500	29.5
381.13095	4.3
394.14273	7.3
412.15375	100.0
413.10681	2.1
413.15625	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	412.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79642	9.2
54.13293	10.0
59.47422	9.7
61.52574	10.6
61.98829	100.0
70.55289	20.4
96.96015	10.2
99.92567	27.3
100.92554	10.2
106.93055	9.3
115.92098	10.5
116.92854	26.9
122.18528	9.9
182.90955	9.4
223.71713	9.4
246.01465	11.5
301.04962	19.3
311.16925	18.1
312.45874	8.8
315.06558	10.2
340.74139	9.9
350.93716	10.1
394.14005	11.4
421.63358	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	412.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	27.3
68.26241	29.1
69.41592	100.0
69.42007	42.1
77.52037	23.1
195.73299	26.2
230.54852	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	413.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01411	0.5
60.03006	0.5
62.54266	0.5
68.99864	0.5
69.72656	1.5
71.01392	0.7
73.02945	1.2
81.61133	0.6
93.03468	4.2
97.06590	1.1
99.00861	0.6
99.04524	0.7
99.62775	0.5
99.96697	0.5
117.03480	33.9
118.03821	1.2
119.05027	1.2
121.02992	0.5
121.06575	0.7
123.04509	0.8
125.02475	0.7
135.04555	1.8
145.03011	0.5
146.03754	0.6
147.04509	0.7
149.06041	0.6
151.04039	2.4
158.03831	0.6
159.04523	1.0
161.02440	1.5
161.06088	0.8
163.00388	0.8
163.07661	0.6
173.06131	0.9
175.04025	1.3
175.07687	0.5
179.07104	0.8
184.62529	0.5
185.02463	0.6
187.04044	1.6
189.05568	1.1
191.07137	0.7
192.91743	0.5
195.04660	0.5
195.06564	0.7
199.03885	0.5
203.03392	0.5
205.04994	0.6
205.08766	0.5
205.57643	0.6
207.06615	7.5
208.07045	0.7
217.05070	1.1
219.06609	0.7
221.06258	0.6
231.06660	1.8
237.05632	0.9
239.03378	0.8
243.06581	0.7
249.07536	3.4
251.09247	1.0
253.05051	0.6
261.07645	1.5
265.05045	0.7
265.08737	1.0
279.06644	0.6
280.07645	0.6
281.08273	3.6
284.03354	0.6
293.08069	1.0
295.06055	0.9
299.05600	8.7
300.06146	0.9
307.06363	1.1
309.07724	0.8
311.05566	1.6
323.09225	1.6
337.07278	1.1
337.10837	1.7
339.08768	6.5
340.09036	0.7
351.08701	0.7
369.09778	3.3
381.09766	1.2
395.11316	0.8
413.12460	100.0
414.12790	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	413.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20061	0.4
59.08697	0.4
60.80765	0.4
65.00332	1.7
67.01889	1.3
69.38586	1.7
69.97751	0.4
71.01380	0.5
71.05027	0.5
83.01411	0.4
86.51846	0.4
93.03465	8.8
95.01400	1.0
97.02943	0.6
97.06580	0.7
98.22654	0.6
99.00867	0.6
99.04530	1.4
107.01401	0.6
111.98129	0.4
117.03477	54.1
118.03826	2.1
119.01415	1.1
119.05053	2.4
119.08761	0.4
123.04533	1.5
123.08222	0.9
131.04980	0.4
133.94189	0.4
135.04541	1.9
135.08086	0.4
143.05025	0.6
145.02972	1.2
145.06631	0.8
147.00949	0.5
147.04543	1.1
147.08119	0.9
149.06143	0.7
151.00317	0.4
151.04013	4.3
151.07649	0.6
153.01906	0.4
153.05475	0.4
158.03763	0.8
159.04500	2.6
161.02481	2.4
163.00357	1.0
163.07645	0.4
164.01190	0.4
165.05499	0.4
167.07156	0.9
171.04564	0.7
173.06041	2.0
175.04027	1.3
175.07599	0.9
177.01929	0.4
177.05656	0.7
177.09259	0.5
178.99861	1.6
179.07158	1.4
181.04967	0.5
183.04553	1.1
183.06592	0.5
184.05328	0.7
185.02466	2.8
185.06111	0.7
187.04030	1.2
187.07718	0.5
189.05585	1.9
190.06342	0.4
191.07169	1.1
195.04575	0.8
197.06123	0.5
201.05568	0.6
203.03568	0.7
203.07190	0.5
205.08728	0.7
207.06621	9.0
208.06946	0.6
209.06160	0.6
211.04012	1.1
212.04631	0.5
215.03572	0.9
215.07101	0.6
217.05080	1.9
217.08653	1.1
219.06625	1.2
221.06142	0.5
221.08055	0.7
222.01704	1.6
227.03496	0.6
231.06642	1.5
233.06047	0.5
233.08147	0.7
234.06866	0.7
236.04787	0.6
237.05577	2.7
238.06044	0.6
239.03500	1.1
240.04372	0.7
244.04010	0.4
249.07376	3.5
251.06998	0.6
251.09329	1.3
252.04129	0.7
253.05054	0.8
255.02876	0.6
259.06122	0.6
261.07532	2.3
264.04233	0.8
265.05026	1.6
265.08682	1.3
266.09344	0.6
279.06967	0.4
279.10260	0.5
281.05371	0.5
281.08231	3.3
281.11142	0.7
283.02420	1.0
284.03250	4.1
293.04803	0.9
293.08212	1.5
293.10947	0.6
295.06128	3.8
299.05911	1.0
307.09683	0.8
308.03467	0.6
309.07791	1.1
309.11221	0.6
311.05624	1.1
319.09854	1.0
322.04855	0.8
323.05536	2.4
323.09293	2.7
324.09641	0.5
325.07184	2.4
325.10892	1.4
335.09332	0.8
337.07156	1.8
337.10828	7.0
338.11011	0.7
339.08627	1.0
351.08633	1.2
353.10284	1.1
367.11850	0.7
369.09735	2.8
369.13754	0.7
370.10129	0.8
381.09857	4.5
395.11395	3.9
413.12448	100.0
414.12744	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	413.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.6
67.01892	0.9
68.99825	0.9
69.49045	2.3
80.64784	0.5
83.01399	0.7
86.89719	0.4
90.69292	0.5
91.01883	1.1
93.03469	5.9
95.01363	1.0
96.96011	1.5
97.06583	2.8
109.02996	1.3
110.00131	1.1
117.03474	60.6
118.03788	2.6
119.01407	8.4
119.05007	2.7
121.02957	0.8
123.00871	1.0
123.04504	0.6
133.02975	1.1
135.04532	4.4
136.98854	0.7
137.02412	1.7
143.05069	1.1
145.02957	1.5
145.06557	1.9
147.00952	0.7
147.04498	1.0
147.08168	1.3
149.06088	1.2
151.04048	0.5
156.05771	0.8
157.06607	0.7
158.03764	0.9
159.04492	3.3
161.02449	3.2
161.06004	0.7
161.09630	0.5
163.00371	1.1
163.07695	1.2
164.01219	0.5
164.98323	1.1
164.99733	0.5
165.01964	3.8
167.05003	0.5
167.07114	0.6
170.03752	0.6
171.04514	1.1
171.08264	0.7
173.06071	3.0
175.07628	2.0
177.02039	0.5
177.05565	0.8
182.03777	0.5
182.07230	0.6
183.04561	2.6
183.08170	0.8
184.05336	1.2
185.02431	1.9
185.06030	1.1
187.04016	2.3
187.07748	0.6
189.01900	0.5
189.05650	1.3
189.09225	1.3
191.07146	2.0
195.04568	1.0
195.06477	0.5
196.05203	0.6
199.04071	0.8
199.05962	0.5
199.07622	2.5
201.05574	0.9
203.03510	1.0
207.06619	1.1
208.05286	1.3
209.06113	3.6
210.06760	1.2
211.04036	3.3
212.04720	1.5
213.05557	0.6
215.03520	2.6
215.07083	1.1
217.05128	1.5
217.08714	8.4
218.09036	0.8
219.06537	3.8
221.05988	1.6
222.06822	1.0
223.04083	0.7
223.07608	0.8
224.04659	0.7
227.03503	0.8
233.06029	0.7
233.08220	1.3
234.06879	1.1
235.07698	1.4
236.04727	1.1
236.08298	0.7
237.05592	8.1
238.06244	2.4
239.03526	2.6
239.07181	0.8
240.04294	2.1
241.04947	0.8
243.06557	0.6
247.04070	1.0
247.07649	0.7
248.04774	0.9
248.08372	1.0
249.05565	0.9
249.09224	2.1
250.10039	0.6
251.07016	1.2
251.09239	2.6
252.07863	0.7
253.05060	0.7
255.02959	2.1
261.05566	0.9
261.07794	4.8
262.06219	1.0
263.07233	0.7
263.10721	1.6
264.04254	0.8
265.05035	4.9
265.08701	1.8
265.12445	0.8
266.05768	1.2
267.10342	0.5
275.07031	0.8
276.07901	1.0
277.08405	0.7
279.06628	0.7
280.07626	0.8
280.10953	1.3
281.08218	2.3
281.11856	1.7
283.02597	4.0
284.03238	6.2
285.03714	0.9
290.05786	0.9
290.09137	0.6
291.06534	1.7
291.10220	2.3
293.08182	2.8
293.11398	0.9
294.08630	0.7
295.09778	0.8
301.03842	0.5
303.10571	0.5
307.06027	0.6
307.09567	0.6
308.06934	2.3
308.10550	2.7
309.07861	1.1
309.11301	5.0
311.09250	1.0
319.09756	2.2
336.10092	0.7
337.07205	0.8
337.10730	4.3
338.11386	0.8
353.10349	2.2
363.08847	1.1
369.13345	0.8
381.09796	54.1
382.10178	7.1
395.11230	0.6
410.76291	0.5
413.12427	100.0
414.12732	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	413.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61311	0.7
65.00331	0.8
65.17297	0.6
67.01876	1.2
68.99825	1.3
69.47776	1.5
69.48156	2.1
73.02955	0.8
76.07425	0.7
83.01414	1.3
93.03471	6.3
95.01413	2.5
96.99316	1.2
98.22667	1.3
109.02955	1.3
110.00099	1.1
117.02652	1.7
117.03481	31.5
118.03841	1.5
119.01408	1.3
119.05045	1.4
121.02954	0.8
123.00892	7.0
125.19286	0.7
133.02931	1.0
135.00894	2.4
135.04549	2.3
136.98792	1.0
137.02458	8.4
143.05066	1.0
145.02872	0.9
147.00905	3.8
155.52963	0.8
159.04544	1.3
163.00426	5.3
163.07693	1.1
164.98270	2.3
165.01950	28.3
166.02306	2.0
167.05125	0.8
171.04558	1.4
183.04547	2.2
184.05292	0.8
185.02498	1.3
185.06166	1.0
187.04018	1.0
189.05568	0.7
191.07149	1.0
192.00673	1.0
211.04109	2.5
213.05609	1.1
217.08835	1.1
219.06572	0.8
223.04167	0.8
227.03493	2.8
239.03534	1.6
241.05048	2.1
255.02969	7.1
267.02869	1.6
283.02521	23.8
284.02957	2.8
381.09872	14.2
382.10043	1.7
413.12463	100.0
414.07666	1.1
414.12796	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	413.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58359	0.6
53.70373	0.6
56.51405	0.6
61.98843	2.1
63.02393	1.0
65.00333	5.0
67.01923	0.7
68.12770	0.6
69.43171	0.7
69.47267	2.6
75.83195	0.6
79.39110	0.6
79.95767	1.4
91.01907	1.9
93.03471	0.9
95.01360	0.7
95.95254	0.8
96.96023	9.6
96.99293	0.9
107.01413	1.3
109.02973	1.5
110.00098	2.7
117.02657	1.2
117.03484	21.6
118.03771	0.8
119.05037	2.1
120.66655	0.7
122.97604	0.8
123.00904	0.7
133.03018	1.5
134.03242	0.7
135.00906	9.8
135.04543	2.8
136.98824	4.0
137.02359	0.7
139.00406	0.7
143.05112	1.5
148.05341	0.9
159.04471	3.1
163.00392	20.7
164.00826	0.8
164.98317	6.8
165.99083	4.4
166.99864	1.3
167.05069	1.0
169.02921	0.9
177.01939	0.8
181.01443	5.4
183.04541	8.4
185.02448	2.6
187.04039	1.3
199.03989	0.9
203.10809	5.6
207.14723	0.6
211.04062	4.1
227.03548	9.3
228.03802	0.9
231.10301	6.1
239.03517	1.6
255.03018	22.0
256.03369	1.5
283.02521	73.0
284.02982	10.1
303.10767	0.8
309.07751	2.7
316.05954	1.2
338.17889	0.7
381.09839	35.2
382.10083	5.2
388.03775	0.7
398.09882	1.5
413.12466	100.0
413.22101	12.0
414.12823	12.6
414.22424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27120	1.3
55.41148	1.4
61.98839	42.7
65.00333	8.6
68.99850	2.1
69.52412	3.1
69.52803	2.0
78.95891	1.6
82.00612	3.3
83.01389	4.9
87.04527	8.2
95.01398	2.4
99.00899	1.3
103.33913	1.4
110.00115	20.9
111.00900	8.5
113.02484	2.5
119.05067	4.2
121.12363	1.4
122.00093	2.1
123.00893	2.2
124.01616	2.4
125.02414	1.6
125.99612	1.6
128.14232	1.5
135.04509	6.7
136.98799	9.3
137.02454	13.0
137.99641	1.9
139.00400	15.9
140.01199	13.8
141.01999	6.7
151.00381	1.8
153.01958	12.3
153.05548	2.2
155.03516	40.5
158.03716	2.3
159.04535	5.1
164.98369	3.2
165.12759	1.3
165.99092	52.4
166.99879	16.3
168.00642	11.1
172.05287	9.9
173.06055	6.6
181.01445	69.3
181.05035	2.2
182.02229	73.5
183.02791	4.0
187.04092	6.0
187.07661	100.0
188.08035	6.9
197.04567	43.6
197.06369	2.0
198.04919	1.7
200.04803	7.9
201.05602	18.0
202.06364	34.2
203.06828	4.2
213.09172	2.4
215.07135	36.9
216.07530	4.7
231.10286	25.0
232.10515	2.1
253.11104	2.8
257.08273	4.6
258.55045	1.8
267.09137	1.8
329.23318	5.2
354.07343	7.2
355.08255	3.1
369.05518	2.6
369.09781	32.7
369.13977	3.0
370.10229	4.9
380.09262	8.6
381.09366	2.1
395.11395	10.7
398.10162	3.3
413.12494	15.9
414.12805	3.7
414.20920	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	413.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73729	1.1
52.54545	1.2
65.00326	10.2
68.99825	2.8
69.82310	4.0
82.00606	4.2
83.01405	5.0
87.04522	11.8
95.01382	3.4
98.00113	1.2
99.00894	1.7
110.00104	20.7
111.00909	6.8
113.02493	2.7
117.03468	1.7
119.05043	32.1
120.05321	2.6
122.00114	2.7
123.00881	2.8
124.01654	2.0
125.02467	2.0
125.99602	2.4
130.04234	1.4
135.04521	5.8
136.98819	9.1
137.02461	16.0
137.99605	3.7
139.00386	19.8
140.01176	15.9
141.01991	6.0
145.02946	1.4
145.06537	1.7
149.06059	3.7
151.00372	2.4
151.07596	1.5
152.01135	1.5
153.01915	13.5
153.05589	4.2
155.03517	45.3
156.03827	2.8
158.03712	2.2
159.04478	5.8
161.02382	1.1
164.98283	2.8
165.01935	1.4
165.99081	59.7
166.99879	18.6
168.00653	13.6
172.05324	13.8
173.06097	7.6
174.06593	1.4
180.00606	1.5
181.01442	80.3
181.04973	2.6
182.02225	71.1
183.02733	4.1
183.04538	1.8
187.04097	10.3
187.07657	100.0
188.07983	6.8
189.05568	2.6
197.04555	41.2
198.04860	2.7
200.04826	8.3
201.05580	20.5
201.09215	1.6
202.06367	31.0
203.06856	2.4
204.04405	1.3
205.08679	2.6
213.09119	2.1
215.07143	45.2
216.07599	4.8
217.05022	3.8
229.08687	1.6
231.10257	27.8
232.10565	2.5
249.07675	4.6
256.07358	1.4
257.08121	5.6
279.06763	1.7
300.02750	5.2
301.03430	1.8
307.06067	1.2
316.06006	2.1
337.07114	1.6
337.10794	3.2
340.05856	3.0
354.07455	10.1
355.08032	2.6
358.53400	1.4
369.06345	1.7
369.09747	42.7
369.13550	3.6
370.09921	5.9
380.09073	9.6
381.09662	4.9
395.11362	11.3
396.12036	1.2
398.09961	5.7
413.07159	2.3
413.12433	37.6
414.12695	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	413.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.2
58.00605	1.1
59.01384	6.2
69.03458	3.5
71.01394	6.4
71.05032	11.6
73.02951	12.0
75.00881	5.2
78.41943	0.7
79.45902	0.8
83.05043	2.4
85.02950	3.6
85.06599	2.2
87.04533	1.7
87.81848	0.7
88.04074	0.9
89.02449	0.8
89.32818	0.6
97.06599	2.9
99.00890	10.8
101.02469	3.5
109.06590	0.9
111.08195	0.8
113.02464	1.6
114.05656	1.0
115.04038	1.1
119.05039	3.2
121.06631	1.4
123.08174	8.4
125.06087	0.8
135.08186	3.3
135.39694	0.8
141.09219	3.8
145.02950	1.0
149.09761	1.0
151.07646	2.4
161.02438	1.5
163.07675	1.7
165.09233	2.6
169.25330	0.8
175.04033	1.0
175.11362	2.0
177.09288	0.9
187.11340	1.3
199.11250	1.0
201.12825	1.2
203.10835	1.6
203.14467	0.8
205.12398	2.4
215.10670	1.0
217.12233	1.4
219.13927	1.6
221.15442	2.4
229.15964	0.9
231.13947	1.7
233.11856	8.4
233.15459	1.2
234.12143	0.9
235.13383	2.4
237.06145	1.1
237.15002	1.0
243.10226	1.6
247.13277	0.9
247.17087	0.9
249.14993	2.7
258.12567	1.0
259.17087	1.6
269.17712	2.1
277.14401	1.3
287.16550	2.5
295.15564	3.7
297.17123	1.0
305.17566	2.5
307.19180	1.5
323.18585	1.5
325.20242	10.7
326.20639	0.9
351.18225	8.2
352.18774	1.0
369.19189	47.6
370.19656	5.0
413.18213	100.0
414.18573	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61412	0.4
55.00392	0.4
55.01887	0.5
56.33607	0.3
56.81195	0.4
57.03453	0.6
59.01385	100.0
60.01719	1.6
65.00323	0.6
68.99818	0.5
69.10549	2.3
71.01392	3.8
71.51940	0.4
73.02972	1.4
73.80708	0.3
75.99524	0.3
80.69132	0.4
83.01422	0.8
85.02953	2.2
88.77459	0.4
89.02453	0.6
92.93840	0.3
93.03486	1.0
95.01411	0.6
98.21788	0.5
99.00890	0.7
101.02461	3.1
101.03619	0.3
109.03133	0.4
113.02455	2.0
117.03484	5.9
118.03818	0.5
119.05033	5.8
123.04551	0.5
133.03001	0.6
136.98868	1.0
143.05104	0.8
145.03006	1.0
148.67467	0.4
149.66158	0.4
151.04047	1.2
161.04617	1.6
167.07236	0.4
181.05038	1.9
185.02472	0.5
187.04010	3.0
201.05688	0.4
207.06599	1.7
209.15530	1.2
222.14903	0.4
225.07745	0.8
249.07690	0.8
251.09410	0.5
281.08475	0.5
283.02679	1.1
293.08069	0.7
299.53397	0.4
304.81952	0.4
309.04306	0.4
315.05054	0.6
325.10922	0.8
337.10907	1.0
353.19873	1.2
369.10028	0.9
371.20810	3.5
381.09805	2.4
406.71082	0.4
413.08044	0.5
413.12698	6.8
414.12842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90164	0.6
59.01384	100.0
60.01717	1.1
71.01396	1.5
73.04063	0.6
85.02954	0.6
91.69614	0.6
113.02390	0.7
117.03470	1.2
119.05036	5.5
130.08762	1.4
141.10338	0.6
143.11914	1.5
145.03053	0.6
169.09834	0.9
181.05124	2.0
187.04074	1.8
187.10883	1.0
200.14131	0.9
222.88754	0.5
225.07701	0.9
230.54848	0.8
283.02527	0.8
325.11115	0.8
337.10977	0.7
353.50781	0.5
369.21216	0.8
381.10229	0.8
395.20093	0.5
399.21735	0.6
413.12698	1.5
413.20404	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	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07980	0.7
57.03406	0.8
58.43421	0.8
59.01384	100.0
60.01720	1.3
65.00317	2.6
68.99824	6.9
69.32848	5.2
70.85526	0.9
71.01395	4.1
73.02949	1.3
80.98990	0.9
83.01400	0.9
83.78777	0.8
88.32780	0.9
93.03452	6.4
95.01408	1.9
98.22643	2.2
101.02448	3.0
102.05628	1.0
108.02185	1.2
109.02962	3.5
113.02453	1.9
114.12917	0.8
115.05548	1.2
117.03494	7.4
119.05037	97.4
120.05386	4.2
121.02972	2.2
123.04531	6.9
128.03572	2.0
131.05000	1.3
133.02979	1.0
135.04581	2.6
136.98819	3.2
137.02437	1.7
139.03975	0.9
143.05035	11.0
144.05318	1.0
145.02979	9.9
147.04495	1.8
148.98663	0.8
149.02487	1.2
151.03996	2.8
153.01974	5.0
159.04507	1.6
160.58122	0.9
161.04686	1.6
161.06116	2.9
167.03484	2.6
175.03996	1.1
177.05597	0.9
179.07169	1.3
181.05086	42.6
182.05420	2.5
187.04034	32.1
187.05743	1.3
191.07143	2.0
193.05078	1.7
205.05098	3.5
207.06696	1.1
208.05342	2.2
211.03969	2.7
217.05264	1.0
225.07709	16.8
226.08241	1.2
233.06175	1.3
236.04851	4.1
237.09311	1.3
249.09297	4.9
256.03619	1.2
257.04456	1.6
261.07843	1.2
264.04196	4.5
265.08719	2.5
283.02542	10.4
284.03162	2.5
293.08203	14.0
294.08932	1.5
297.06274	1.6
311.09232	4.3
325.11020	6.5
337.10861	8.8
375.04797	2.0
377.05054	1.6
381.09927	11.2
382.10239	1.2
413.03174	1.7
413.12485	36.2
414.12741	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	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14573	1.0
51.56669	1.1
59.01385	77.4
60.01715	1.5
65.00331	2.3
66.87603	1.0
68.99827	10.5
71.01383	4.1
71.79007	1.1
89.02476	1.5
93.03458	7.3
95.01399	2.5
95.05061	1.4
98.22636	2.5
101.02471	1.4
102.05627	2.3
113.02467	1.2
117.03490	20.3
119.05038	100.0
120.05380	3.9
121.02991	3.1
121.06668	1.3
122.03810	1.7
123.04536	8.8
127.04059	1.6
128.03557	7.3
130.08760	2.6
133.03003	2.1
135.04527	1.7
136.98865	3.4
137.02475	3.4
137.99585	1.0
139.04019	1.5
143.05048	15.0
143.77168	1.1
145.02971	13.4
147.04552	1.4
149.02443	1.8
149.06139	2.2
151.00342	1.3
151.03999	4.2
155.05005	1.2
159.04501	2.7
161.04672	1.6
161.06143	3.5
163.04100	1.1
163.97668	1.1
165.05467	1.4
167.03459	2.9
175.04053	2.2
177.05606	3.1
179.03506	1.8
179.07172	1.6
181.05089	44.9
182.05424	1.9
185.02469	1.6
187.04021	47.6
188.04395	2.9
189.05643	2.3
191.07152	2.5
193.05069	4.4
205.05077	3.6
207.06638	2.9
209.08215	2.0
211.04079	4.0
212.64651	1.1
225.07710	21.6
230.12379	1.2
233.06342	2.0
236.02695	1.3
236.04939	4.3
237.05684	1.4
249.09254	4.1
257.04544	2.4
261.07626	2.1
264.04343	5.0
265.04703	1.6
265.08743	3.6
266.09088	1.7
283.02499	11.0
284.03183	3.9
285.18042	1.2
293.08228	18.7
293.11581	1.6
294.08600	1.7
311.09268	2.7
317.98245	1.2
325.10873	12.7
337.10864	10.2
369.05524	1.4
369.13605	1.9
381.09882	13.2
382.10297	1.6
395.11581	1.6
413.12561	42.9
414.12878	6.4
414.22574	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	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45074	0.3
57.03436	0.4
59.01386	100.0
60.01723	1.0
61.98840	1.6
65.00326	0.5
65.74892	0.3
68.99823	0.8
71.01399	1.9
73.02972	0.7
74.02484	2.1
85.02984	0.8
89.02461	1.0
93.03495	1.6
98.22668	0.6
99.00941	0.4
101.02483	0.9
107.01437	0.4
113.02464	0.8
115.03999	0.4
117.03486	5.6
119.05036	8.1
119.05818	0.6
120.05406	0.6
123.04558	0.9
125.02497	0.8
126.94349	0.4
133.02989	1.0
135.04550	1.2
136.01735	0.4
136.98859	0.8
137.02484	0.5
139.00374	0.6
143.05028	1.0
145.02977	0.9
147.04599	0.7
149.02475	0.4
151.00354	0.5
151.04008	1.8
161.02502	0.6
165.00316	0.4
166.99881	0.6
167.03569	0.4
179.07178	0.4
181.05115	2.6
183.04308	0.3
185.02509	0.4
187.04033	3.9
189.05478	0.4
193.05168	0.5
207.06651	1.9
211.04045	0.4
217.05113	0.5
224.42004	0.4
225.07776	1.5
249.07866	1.0
255.03035	0.6
264.04156	0.4
281.08307	0.5
283.02548	2.7
283.52917	0.5
284.03110	1.2
293.08337	1.1
308.77313	0.4
315.05301	0.7
324.57892	0.3
325.10977	0.5
333.00723	1.8
337.10779	1.2
369.09967	1.5
381.09836	2.7
384.23819	0.8
395.07492	0.6
395.12006	0.4
413.08972	1.1
413.12903	8.1
413.21509	0.5
414.12659	1.2
414.24918	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	413.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28646	1.1
58.02964	4.9
59.01382	1.4
68.99815	3.3
69.91046	1.2
73.04097	1.5
84.04510	1.3
87.05649	23.9
93.03483	2.9
97.04047	1.4
110.02491	3.4
111.05667	1.9
112.04015	1.3
117.03490	3.3
119.05036	27.3
120.05399	1.4
123.04469	2.5
126.06784	1.6
129.06717	32.0
130.08746	51.6
134.42216	1.4
136.98811	2.4
141.00978	1.1
141.10318	1.7
143.05009	4.6
143.11911	2.4
144.07811	4.9
145.02974	3.3
168.07745	2.3
168.09064	3.8
169.09825	2.2
181.05081	12.9
187.04024	14.6
199.18175	18.6
214.15633	2.7
225.07742	7.2
225.16197	2.5
238.15518	1.5
243.17136	5.5
249.09216	1.6
256.20340	11.8
264.04623	1.3
283.02496	2.5
293.08139	5.1
311.09335	1.6
325.10690	4.1
327.24124	7.0
337.10788	3.0
366.19272	1.2
381.09778	2.7
413.12723	12.9
413.24069	100.0
414.12888	2.3
414.24231	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	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23451	3.9
59.01383	100.0
59.67545	4.6
61.98808	6.6
69.87978	4.3
70.12638	11.4
70.39069	4.2
96.95999	5.0
116.24871	4.3
431.90555	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26389	19.8
59.01376	72.3
65.00308	22.2
69.44337	100.0
88.51324	22.5
96.96005	36.3
98.22633	42.8
122.43925	21.6
155.84499	24.5
206.99258	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	414.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	1.7
65.99853	6.2
68.99833	1.1
69.96812	2.4
81.02216	1.3
82.02977	1.3
96.00927	2.2
98.22548	1.2
104.65932	0.8
108.00947	1.1
109.01703	7.6
110.00158	1.3
110.02512	2.1
118.03018	0.9
120.00938	2.8
121.01728	7.1
122.02527	0.9
125.81627	0.8
126.29443	0.8
135.04549	1.1
136.00410	11.2
137.01205	2.0
145.06596	0.8
150.01987	12.2
162.01961	1.2
163.99898	9.0
165.00690	27.8
166.00974	1.0
171.04475	1.4
175.99904	1.4
177.01970	0.9
178.01482	6.8
179.07433	1.9
187.78513	0.9
190.01491	1.9
191.02298	1.1
204.03145	1.1
206.00999	0.9
212.07115	2.3
223.06366	1.9
225.05273	0.8
226.05205	1.6
226.08698	1.1
232.02501	1.1
240.06764	6.0
252.06664	1.7
254.05814	1.8
254.08221	9.2
255.06648	3.2
266.08261	1.3
267.06442	1.1
268.06143	23.5
269.06918	14.4
270.07367	1.9
280.06226	8.4
281.06433	1.1
282.07736	66.5
283.08142	6.7
294.07748	2.7
310.07224	28.9
311.07520	2.9
326.06897	1.3
338.06662	2.9
342.09845	100.0
343.10141	10.9
370.09213	4.4
398.33517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.3
65.00318	3.2
65.18996	2.3
65.91187	2.7
68.99835	3.3
69.04610	11.4
69.05018	6.1
77.03977	2.8
79.01928	2.8
81.03445	3.7
83.94158	2.2
84.04546	2.8
85.02950	3.9
86.02509	3.1
93.03487	5.3
95.05058	4.2
98.02491	3.6
105.03468	16.5
106.03004	13.9
107.01475	3.4
107.05045	3.8
109.02960	11.3
111.00902	3.0
114.20232	2.5
117.03475	19.6
119.01404	2.8
119.05031	3.2
121.02972	12.2
123.04537	20.9
124.47324	2.6
126.01894	3.4
131.05016	5.1
133.02962	43.3
133.03903	4.4
133.33954	2.5
134.02522	7.1
134.03732	11.1
135.04549	61.6
137.06163	2.6
139.00386	2.7
145.02914	3.4
147.00919	6.9
148.04037	10.8
149.02483	31.4
150.01971	5.3
152.03516	7.4
153.02045	2.5
158.03729	33.3
159.00896	5.3
159.04518	70.6
161.02460	100.0
162.02782	4.3
164.04803	29.4
164.98302	4.9
165.05461	4.1
166.05077	10.1
167.03529	2.5
173.02415	2.9
175.00388	6.8
176.03539	54.3
177.01974	26.7
177.03584	3.6
178.01451	9.4
179.03523	7.0
181.22319	2.6
186.66638	2.8
192.03043	26.6
193.06583	3.2
195.08109	3.1
196.03786	9.0
197.16664	2.9
203.03534	8.5
208.06197	34.2
209.04533	3.7
210.04117	15.1
220.02544	31.0
221.06047	4.8
223.07635	7.5
225.05602	3.4
234.04015	3.3
235.02419	6.6
236.02017	3.9
237.05489	3.5
239.07112	5.3
243.06459	2.8
249.05646	5.9
251.04434	4.3
251.07156	8.2
252.05148	32.1
265.05017	3.2
267.06592	10.1
268.06107	3.8
271.06009	3.2
275.01984	3.0
277.05252	5.2
282.07822	6.7
285.04141	3.4
293.04526	5.4
295.06113	10.1
296.05933	3.2
310.07217	6.2
338.06754	9.8
342.09671	4.7
353.06726	8.1
354.06216	37.3
355.06616	3.7
371.07886	2.7
382.05676	39.6
386.08752	7.2
414.08215	73.3
415.08743	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	414.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21792	0.7
56.34130	0.8
59.01378	1.9
65.00323	2.5
65.99844	6.9
68.99809	2.2
69.28332	1.7
69.28734	2.9
81.02203	1.8
81.03458	0.9
81.50595	0.9
83.01380	0.8
90.03553	0.8
96.00904	2.1
106.02985	1.6
109.01696	5.2
109.02975	1.1
110.00107	1.5
110.02499	3.0
119.05029	1.6
120.00901	3.9
121.01693	5.2
122.02485	2.6
131.05032	1.2
133.02922	0.9
134.02492	1.3
135.04533	3.4
136.00423	11.0
137.01151	3.0
139.04150	0.9
146.02464	1.2
147.04585	1.1
149.01114	1.0
150.01988	11.5
161.02397	1.7
161.06042	2.0
162.01955	2.1
163.99902	9.8
165.00677	26.1
171.04529	1.5
175.99884	2.1
177.01942	2.4
178.01454	7.9
179.07436	1.8
180.08171	1.2
183.81523	0.9
188.55553	0.9
190.01491	1.9
191.02242	1.2
192.02950	1.0
195.01808	1.4
196.18291	0.9
197.06129	1.1
198.05568	0.9
201.05565	0.9
206.01050	1.0
210.04025	1.3
212.07196	3.4
213.05617	1.1
223.06343	1.7
226.05136	2.5
232.02451	1.3
240.06573	6.1
252.06487	1.3
253.05080	2.7
254.08214	11.0
255.06482	2.2
264.09976	1.4
266.08051	1.3
267.05814	1.2
268.06146	24.7
269.04572	1.1
269.06918	15.5
278.02957	1.2
280.06207	9.5
282.07724	65.1
283.08044	5.3
283.87042	1.0
294.07687	3.2
310.07199	27.0
310.10760	1.7
311.07523	2.8
326.06702	1.6
338.06702	2.4
342.09836	100.0
343.10110	10.7
354.06430	0.9
370.09265	2.8
405.75073	0.9
414.13037	3.7
415.11984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16336	0.9
59.01388	6.0
65.00339	2.6
69.03462	1.9
69.46635	4.2
70.02973	2.5
71.01381	2.5
72.99308	2.2
78.95914	1.1
79.95741	10.3
80.96514	1.4
81.03475	2.2
82.02991	2.0
83.01395	1.6
83.05041	2.4
84.04538	4.8
85.02940	1.1
89.02464	1.2
93.03455	2.0
93.81153	1.0
94.02998	1.3
95.01402	1.7
96.00941	1.8
96.04562	11.2
96.96015	2.9
98.06105	2.3
101.02429	2.6
107.05040	2.3
108.02180	1.4
108.04565	1.4
109.03014	1.2
110.00140	1.7
110.02523	1.3
111.00900	6.1
113.02439	2.0
117.03473	6.4
119.05027	4.1
120.04526	1.3
121.02945	2.8
122.06133	6.9
123.04514	2.7
124.04085	4.4
125.02416	1.0
128.03600	2.0
133.02975	4.7
134.03767	3.6
135.04544	14.2
136.07686	1.2
136.98746	2.1
137.02484	1.8
138.01964	3.2
138.05630	1.6
139.00354	8.9
139.02736	1.8
140.01201	1.2
140.07193	88.3
141.07506	3.3
148.04062	1.6
149.02441	1.2
151.04079	1.2
153.01930	1.0
158.03760	9.9
159.04530	14.6
161.02451	30.4
161.06067	1.3
162.02873	1.9
164.07188	8.6
164.98271	2.3
165.99062	1.8
166.05110	92.4
167.03540	2.3
167.05399	3.7
168.03047	1.0
171.04570	1.2
173.06107	1.4
175.03993	1.1
179.03487	1.8
184.06189	8.2
189.48788	1.1
190.05162	4.7
197.00240	1.3
198.05540	1.0
199.04095	1.1
201.05600	3.3
203.03484	2.3
206.04587	0.9
208.06168	100.0
209.06450	6.8
227.03430	1.0
234.04083	20.7
235.04359	1.2
236.97903	7.5
241.05095	1.4
248.05730	1.1
252.05138	55.1
253.05397	3.9
269.04553	1.9
283.06046	1.4
284.09421	2.9
285.04086	7.2
286.04849	1.9
299.01984	2.6
310.07199	1.9
314.04480	2.0
315.04755	1.1
326.10318	3.1
352.08301	2.4
370.09427	8.1
371.08951	1.1
396.07272	19.8
396.11850	1.0
397.07486	2.1
400.17963	1.0
410.52621	0.9
414.08344	90.7
415.08194	10.2
415.15970	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	414.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87219	1.0
61.48865	0.9
64.67501	1.0
65.00326	2.2
65.99837	1.6
69.04337	2.9
69.04754	4.3
74.97267	1.1
75.00877	58.9
82.03011	1.3
96.65826	1.0
103.00381	55.0
106.03043	1.0
110.02499	3.6
114.18441	1.0
120.00922	2.4
122.02474	1.3
134.02501	5.3
134.99564	1.3
136.00449	7.7
138.94020	1.0
150.01981	12.7
151.02461	1.0
162.02005	4.8
163.99968	8.0
168.02873	1.0
171.04593	1.7
175.99869	1.2
178.01494	6.8
179.07364	1.5
187.07780	1.1
190.01476	1.8
190.98618	18.2
204.86470	1.0
206.00972	18.2
212.07187	3.7
217.00270	1.3
223.06462	2.4
224.07101	2.1
226.05099	1.3
232.02524	6.9
234.00426	15.1
235.00833	1.5
238.08740	1.9
240.06671	7.2
245.79901	1.0
253.03860	1.2
254.08173	11.0
260.02200	1.9
266.08316	5.6
267.05399	4.9
268.06180	30.0
269.04291	2.5
269.06824	2.1
280.06168	3.3
282.07745	45.3
283.08191	4.8
292.06256	1.2
295.04904	7.6
296.05560	2.7
304.09406	1.0
310.07230	100.0
311.07590	11.1
338.06732	39.8
339.07062	3.8
342.09705	2.5
354.06149	3.6
370.09265	3.8
382.05637	11.2
383.06024	1.3
414.08362	27.2
415.08649	4.2
429.17834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00021	2.8
65.00330	25.3
65.81210	1.5
65.99848	3.2
68.45245	1.7
75.00874	47.1
77.31459	1.8
82.02956	1.8
92.99818	4.2
96.00917	2.8
96.99326	4.8
102.99724	3.4
103.00381	45.1
105.34078	1.7
108.00924	1.7
110.00105	6.5
110.02449	2.7
111.78286	1.7
120.50325	1.7
120.99278	3.2
122.02471	1.7
124.01668	3.9
124.04053	5.9
134.02509	4.5
136.00414	11.0
136.98805	17.7
144.03076	1.9
145.06625	3.1
150.01968	13.1
153.07155	1.8
157.06691	2.4
162.01985	4.6
163.99896	10.4
164.03523	9.0
164.98305	34.3
165.00551	2.1
165.99059	5.0
169.06625	4.3
171.04475	5.1
173.06094	3.8
175.99867	3.3
178.01526	5.2
179.07491	2.2
181.06636	2.3
190.01591	3.6
190.98596	14.6
192.03055	3.7
195.04431	1.7
197.06229	3.4
199.03934	3.6
206.00880	13.2
212.07242	4.8
217.00175	1.6
218.04628	3.4
223.06319	2.6
224.07137	3.6
225.05624	3.6
226.08740	4.0
232.02444	3.3
234.00391	9.0
240.06625	7.5
241.05061	11.8
243.06628	11.0
254.05914	2.1
254.08282	8.4
266.08212	4.5
267.05496	2.5
268.06143	35.2
268.09732	9.1
269.04535	100.0
270.05219	2.9
280.05991	2.3
282.07751	34.3
283.08112	4.4
294.07425	2.1
295.04907	5.9
296.05930	2.3
296.09256	57.4
297.09689	4.3
310.07239	90.7
311.07608	7.8
319.75269	1.8
338.06638	32.8
338.10361	84.1
339.07095	3.5
339.10721	6.0
354.06198	4.1
370.09531	3.1
371.12817	2.1
382.05728	10.2
397.10709	3.6
414.08258	25.8
414.13116	8.5
415.12521	8.4
415.22974	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	414.111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26854	0.4
54.06878	0.4
59.01382	38.7
60.70828	0.5
69.55738	2.1
70.69057	0.5
86.71101	0.4
91.27601	0.5
100.78323	0.4
117.00475	2.4
128.07242	1.1
130.08748	100.0
131.08252	0.6
131.09103	2.7
157.03564	2.9
159.01485	1.3
170.99883	0.6
172.01071	0.6
183.01517	1.9
188.07774	0.6
196.05830	0.8
201.02556	27.0
202.02795	2.0
208.91962	0.5
226.09322	0.5
228.07280	2.1
230.08839	10.4
231.09007	1.1
238.06871	1.0
239.06982	0.6
254.08974	1.4
255.09315	0.5
256.09671	0.8
272.09918	93.7
273.10147	10.2
354.08887	0.7
383.45303	0.5
396.09982	1.8
414.11072	7.2
414.24677	1.6
415.11349	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	414.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95024	0.8
59.01381	4.1
61.98859	1.1
65.00328	17.0
68.99833	1.2
69.30179	3.7
71.01389	1.3
73.32113	0.9
82.00614	2.1
82.53429	0.8
83.01381	1.6
88.84667	0.8
92.99846	3.3
93.03461	2.2
95.01389	2.0
96.99349	4.3
101.02446	1.1
108.99385	1.8
109.00171	0.8
109.99377	1.8
110.00105	25.8
111.00891	3.0
111.04570	1.5
111.05756	1.1
117.03462	1.3
119.05038	50.4
120.05365	2.4
120.99323	1.8
121.02948	1.4
123.00907	4.3
123.04537	1.4
124.01641	3.4
131.15892	1.0
135.04579	1.9
136.98824	22.5
137.99625	7.5
139.00407	7.2
140.01004	0.9
143.05029	1.6
145.02980	3.3
147.05658	1.0
151.00377	1.5
152.01164	3.6
153.01970	8.9
161.02431	0.9
164.01144	1.5
164.98305	53.8
165.01941	1.3
165.99106	23.8
166.99875	10.2
177.01978	1.0
180.00684	4.7
187.04050	4.0
197.06128	1.2
199.03894	1.0
208.06079	1.7
215.03491	1.3
215.27641	1.0
229.05055	1.5
234.04085	1.5
241.05145	2.8
243.06538	1.3
250.08356	3.4
257.04657	4.7
258.05246	2.2
259.05988	2.2
268.09381	1.1
273.31580	1.0
276.06216	2.6
285.04071	100.0
286.04764	36.9
287.05518	7.8
352.13113	1.1
354.09763	6.3
396.12112	10.2
397.12198	1.0
414.13058	23.9
415.13181	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	414.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05286	1.1
59.01377	6.9
64.32561	1.0
65.00330	14.4
65.48638	1.1
69.13592	3.4
69.13998	4.4
71.01379	1.8
78.14433	1.1
82.00611	2.9
83.01355	1.6
89.02441	1.4
92.99815	2.9
93.03462	1.5
95.01385	2.5
96.99305	4.1
101.02422	1.9
110.00105	30.5
111.00934	2.9
119.05037	38.8
120.99295	1.4
123.00885	4.0
124.01718	2.3
136.98816	17.0
137.99579	8.3
139.00397	7.3
140.01158	1.0
141.01967	1.2
143.05014	2.4
151.03995	1.5
152.01166	3.9
153.01947	6.1
155.95972	1.1
164.98302	48.2
165.99086	27.1
166.99838	8.2
178.99770	2.3
180.00703	5.6
181.01381	1.7
185.06061	1.4
187.04024	2.4
197.06175	1.3
208.06120	2.0
229.04996	2.3
241.05086	3.2
248.21191	1.2
250.08333	2.8
257.04602	4.6
258.05408	1.6
259.06073	1.8
285.04062	100.0
286.04739	37.3
287.05518	12.1
354.09872	9.4
354.27112	1.4
355.10007	1.7
396.12061	7.2
414.13098	24.2
415.12814	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	414.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
65.00323	2.1
65.99853	1.6
66.54694	0.5
68.99827	1.5
69.24236	1.1
69.24651	2.1
75.00893	0.5
78.49401	0.6
82.00591	0.5
92.01501	0.5
96.00906	0.7
97.02945	0.7
109.01775	0.6
109.02995	0.8
117.03497	0.9
119.05035	1.4
120.00962	1.3
121.01778	0.6
121.02984	0.7
122.00085	0.6
131.05093	1.1
134.02480	0.8
135.04504	0.5
136.00392	4.2
136.01353	0.7
136.98817	0.9
145.06599	1.6
157.06602	0.9
158.06055	0.6
161.02478	0.7
161.99716	0.6
163.00381	1.7
163.99934	2.4
164.90825	0.5
164.98286	1.8
165.00719	2.5
169.06607	2.1
170.06128	17.4
171.04541	8.5
171.06252	1.0
171.06511	1.3
172.05090	0.7
172.07695	2.8
173.06081	1.4
180.08218	1.0
184.07707	0.6
189.99095	2.2
196.07701	4.6
197.06148	0.8
198.05690	2.2
198.09210	5.3
200.07187	3.4
208.04041	0.8
210.09297	0.7
212.07169	1.8
214.08751	4.7
222.05565	0.8
223.06342	1.5
224.07133	5.0
225.05666	1.0
226.05151	2.1
236.07246	1.2
238.08762	1.5
239.07106	0.6
240.06696	9.2
241.05029	2.1
241.07117	0.9
242.08244	9.7
243.06604	1.1
249.05437	0.8
250.06415	0.7
251.07329	0.6
252.03174	0.9
255.06512	1.1
257.04251	0.6
264.06799	1.6
265.07550	0.8
266.08221	1.5
267.06735	4.2
268.06165	32.8
269.04141	3.1
269.07062	3.0
278.08170	1.3
282.07687	2.1
283.67004	0.5
286.12509	1.0
294.05365	1.4
309.07639	0.9
310.07953	0.9
310.12274	0.9
311.09229	1.3
326.11841	1.8
328.13535	4.0
338.07053	0.6
342.09421	0.5
342.26053	0.7
352.13440	1.6
354.11325	2.9
355.11902	1.6
356.09244	4.0
368.12827	2.0
369.11530	0.7
370.14523	2.0
372.12445	5.6
373.12518	1.0
396.12445	8.3
397.10931	2.5
414.13498	100.0
415.13806	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	414.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13949	0.6
65.00317	2.4
65.99844	1.7
68.99828	1.7
69.62254	0.8
70.73334	1.0
81.02219	0.7
87.37462	0.6
96.00906	0.6
108.00957	0.8
109.01687	1.1
110.00104	1.0
113.28994	0.6
115.59077	0.6
117.03492	0.9
120.00936	1.3
121.01696	1.0
130.99646	0.7
134.00163	1.2
134.02417	0.8
136.00407	7.7
136.98804	2.1
145.06601	2.4
155.04979	0.8
157.06589	1.8
161.02414	1.0
161.99663	0.8
163.00381	1.0
163.99863	4.1
164.98373	1.0
165.00694	4.0
169.06570	3.0
170.06126	14.7
171.04514	10.7
171.06027	1.0
172.04926	1.1
172.07713	3.2
173.06094	2.2
180.08212	1.0
183.04532	0.7
189.47169	0.6
189.99057	2.7
191.61319	0.6
196.07716	5.1
197.05978	0.6
198.05589	2.5
198.09232	5.3
200.07147	2.3
209.06017	0.7
210.09399	0.7
212.07237	1.2
213.05649	0.9
214.08665	3.0
220.07718	0.7
221.06183	1.3
222.05571	0.8
223.06178	1.5
224.07002	4.1
225.05769	0.9
226.05055	4.2
227.41409	0.7
236.07030	1.0
237.05434	1.0
238.08688	1.2
240.06702	10.5
241.05060	4.3
241.07104	1.3
242.08269	9.1
243.06619	2.1
248.07382	0.8
252.03105	0.8
255.06714	0.8
264.06686	1.1
265.04984	0.7
266.08191	1.0
267.06577	2.8
268.06171	63.8
269.04517	7.5
269.06787	7.6
280.06189	1.2
282.07803	1.5
286.12494	0.7
293.04630	1.1
293.99289	0.7
294.05380	2.4
309.07758	0.9
310.12543	0.6
311.09250	0.8
326.11929	1.0
328.13361	3.0
343.09561	0.7
352.13235	0.9
354.11426	3.4
355.11871	0.7
356.09225	1.9
368.13101	2.1
369.11334	1.0
370.14545	1.7
372.12424	6.4
396.12399	7.9
397.10727	5.4
398.11401	1.3
414.13492	100.0
415.13879	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	415.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03445	4.5
58.00599	1.0
59.01386	85.0
60.01727	0.9
60.77879	0.8
65.00323	1.0
71.01388	50.8
72.99289	1.2
73.02564	1.7
73.02956	23.4
76.07947	0.9
78.81942	0.8
81.03461	3.4
83.01384	3.9
84.94866	0.8
85.02959	13.5
87.00893	1.5
89.02453	65.5
95.01401	6.4
95.05020	1.4
97.41808	0.9
99.00891	100.0
99.04515	1.3
100.01226	1.2
101.02460	19.6
104.07170	1.0
109.02991	2.0
111.00881	1.2
111.57138	0.8
113.02463	38.7
114.02774	1.1
115.00356	1.0
119.03558	11.3
119.05038	43.1
120.05424	1.4
123.04539	21.8
125.02443	4.1
131.03513	14.3
133.02989	4.8
135.04512	1.3
137.02481	1.1
139.04063	1.0
143.03503	4.1
149.04573	41.0
150.04930	1.5
151.00330	1.2
151.04010	1.2
161.04568	21.1
163.04047	1.3
166.02768	1.1
167.03517	58.9
168.03835	1.5
175.04036	1.1
179.05655	5.1
181.05019	1.0
187.04027	1.5
191.03543	11.5
191.05617	44.0
192.05891	1.3
209.04529	5.8
219.06584	1.4
221.04514	1.5
233.06732	6.8
237.07722	2.0
270.66986	0.9
279.08719	4.1
281.19778	1.3
286.07425	1.2
295.08316	1.9
310.24258	1.0
323.16315	1.0
346.76978	1.0
361.18237	1.2
371.09799	4.3
383.11456	9.5
391.02368	1.1
397.09171	2.4
404.89850	1.0
415.16400	18.1
416.15744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
60.41567	0.6
60.68457	0.5
63.15926	0.6
65.00333	1.0
67.01880	0.6
68.99812	0.8
71.01387	1.6
73.02953	0.7
77.03967	7.7
79.01889	4.1
93.03468	1.3
95.01401	0.5
101.02464	0.5
101.03980	1.3
105.03477	2.4
105.74272	0.6
107.01374	1.3
110.02468	1.0
113.02440	0.9
119.05042	6.4
121.02978	7.5
124.04086	0.7
133.02975	0.8
138.02016	0.6
138.56647	0.6
139.02797	0.9
140.03574	1.0
143.05066	5.0
145.02986	4.8
149.02455	6.9
152.03639	1.0
161.02451	1.8
161.04620	0.7
164.04829	0.7
165.01866	0.9
167.08667	0.7
173.06143	1.0
179.03500	1.2
180.05911	0.6
181.06693	1.6
187.04016	1.7
195.08160	2.2
197.06018	1.0
199.07637	1.4
208.05368	0.7
209.06172	0.7
221.06149	0.6
222.06824	0.7
223.07596	5.0
224.08025	0.6
225.05705	1.1
227.07176	1.3
238.06049	0.7
239.07433	0.6
249.05644	0.8
251.07278	0.8
253.05112	2.3
265.05121	0.9
266.05994	1.1
267.06647	84.2
268.06955	9.1
277.05014	4.7
279.06625	1.3
293.04419	0.8
295.06140	100.0
296.06497	10.1
307.06210	2.9
308.06516	0.7
325.07233	2.9
337.07648	0.8
415.10367	63.7
416.10739	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	415.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55349	0.4
59.01371	0.8
65.00341	0.6
71.01386	1.1
73.02914	0.4
77.03975	7.3
79.01889	3.5
82.50658	0.4
93.03461	0.6
101.03960	0.5
105.03452	2.6
107.01389	0.8
117.03493	0.5
119.05016	4.4
121.02962	6.5
123.04520	0.5
133.03064	0.6
141.25815	0.4
143.05051	5.9
145.02968	5.4
149.02458	7.2
157.06467	1.0
161.02454	1.5
162.03214	0.8
164.04807	0.4
165.01915	0.7
167.08719	0.5
169.06657	0.6
173.06122	0.6
179.03558	0.8
180.05789	1.1
181.06589	1.5
187.04007	1.9
193.06546	0.5
195.08167	2.5
197.06082	1.0
199.07690	1.3
208.05380	0.7
209.06221	0.5
221.06105	1.0
223.07658	4.8
224.04958	0.8
224.07782	0.5
225.05598	1.1
227.07135	1.6
237.05504	0.7
239.07224	0.7
251.07123	0.8
253.05013	2.3
265.05124	1.1
266.05978	0.9
267.06638	83.7
268.06982	8.6
277.05157	3.6
279.06818	0.9
293.04636	0.7
295.06143	100.0
296.06473	10.9
296.09387	0.2
298.04715	0.6
300.99210	0.4
307.06070	3.2
325.07217	3.1
326.07559	0.4
415.10364	61.8
416.10681	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	415.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.9
61.98841	1.2
64.10802	0.3
65.00327	2.6
69.08579	1.0
69.08991	1.7
71.01411	0.8
85.02988	0.5
91.01917	1.0
93.03474	0.4
95.01377	0.4
96.99334	0.4
98.22644	0.6
101.02442	0.4
107.01414	0.7
109.02980	0.8
113.02442	0.5
117.03459	0.9
119.01369	0.6
119.05046	6.0
119.05834	0.7
132.02174	0.6
133.02969	30.4
134.03282	1.7
135.00900	3.0
135.04570	3.1
136.98810	2.2
143.05072	0.8
145.02956	0.5
151.00401	0.4
155.05116	0.5
159.04555	0.8
163.00397	5.3
164.98332	4.8
165.99057	0.8
171.04573	1.1
175.04056	1.3
183.04564	0.9
185.02446	0.8
187.04044	1.0
189.05539	0.7
196.36952	0.5
198.03253	0.7
199.04034	29.2
200.04430	1.5
201.01982	5.8
202.02328	0.5
203.03529	1.0
213.01849	0.5
213.05782	0.4
215.03574	1.2
219.06754	0.5
225.01903	0.4
227.03522	7.3
228.03871	0.5
231.03003	0.4
235.18539	0.4
243.02968	8.2
244.03404	0.7
253.01465	0.6
255.03003	4.6
256.03659	0.5
257.00842	0.6
271.02512	11.9
272.03030	1.1
282.01624	1.1
299.01993	67.2
300.02521	8.6
301.03470	1.2
313.62265	0.4
325.03568	1.5
325.07169	1.8
327.08917	0.5
343.11975	0.5
353.06818	0.6
369.09711	0.9
371.11459	0.9
383.11243	0.9
384.96698	0.4
397.09293	57.6
398.09647	6.5
415.10352	100.0
416.10660	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
59.01387	11.7
65.00332	6.6
65.76311	0.5
69.03471	0.7
69.06110	3.3
69.06512	0.8
71.01373	3.3
75.67277	0.6
79.90950	0.6
80.32751	0.5
85.02959	0.9
89.02451	3.6
93.03462	1.6
95.01417	1.2
96.63142	0.6
101.02441	2.5
107.05087	0.6
108.02217	0.6
109.02973	3.3
110.00129	1.9
111.00866	1.5
111.04584	0.5
113.02445	1.1
117.03484	6.8
119.03597	1.1
119.05045	35.2
120.05398	1.4
121.06647	0.7
123.04541	2.3
123.08160	1.1
124.98872	0.8
125.02477	0.6
127.00391	0.9
133.02966	5.8
134.03728	1.8
135.04529	3.0
136.01663	0.6
136.98827	7.5
137.02452	1.1
137.99628	0.6
139.00407	1.4
143.05052	1.1
145.02953	0.8
147.08147	0.7
149.06021	0.9
149.99603	1.0
150.03200	0.5
151.04030	1.6
151.07724	0.7
154.99852	4.2
156.00676	3.2
161.02490	2.8
163.00385	0.6
163.03979	1.4
163.07637	1.3
164.01154	0.9
165.05569	4.1
165.99129	1.8
167.07172	1.9
172.05330	1.2
173.02460	0.7
173.06047	0.6
174.03244	1.0
175.03989	1.4
177.02019	0.7
177.05644	0.8
187.04056	1.3
188.04749	0.7
189.02060	0.9
191.07101	1.5
193.05156	0.9
193.34273	0.5
195.06715	0.9
199.04002	2.6
200.04788	1.5
201.02026	2.7
202.02744	1.0
207.06712	0.9
209.08188	1.7
213.01900	0.9
214.02669	0.8
215.03490	0.7
216.04343	1.9
219.06561	0.7
227.03554	2.2
227.09117	0.7
228.04317	2.3
230.02220	0.8
235.13284	1.2
241.01450	1.1
243.03094	1.3
251.09283	1.1
253.07133	4.4
255.02988	1.4
256.03558	0.9
271.02463	1.0
272.03195	1.0
279.08749	0.6
286.04941	0.7
295.08206	7.0
299.01941	4.0
300.02777	100.0
301.03232	11.3
304.54617	0.6
313.03491	0.6
325.03391	1.1
369.09961	1.0
371.11462	7.5
372.11966	1.2
383.11322	3.0
397.09131	7.8
398.09683	0.9
415.09872	17.6
415.19791	3.5
416.10660	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	415.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58413	14.1
75.00871	24.9
75.55832	7.0
77.36939	6.3
78.55925	7.9
84.11337	7.5
85.02982	17.2
113.02466	10.0
115.85959	6.8
133.30000	6.6
136.72578	6.2
198.37759	7.0
207.05106	100.0
231.38783	6.8
235.94704	6.9
282.63275	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	415.119
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	24.9
66.00683	0.4
68.60963	0.4
68.99813	1.0
69.28498	1.7
75.00880	1.8
79.63571	0.4
82.00616	0.7
92.99837	4.6
95.01392	0.7
96.99326	5.8
99.78241	0.3
101.03990	0.5
103.00401	1.9
108.99297	1.5
109.02900	0.4
110.00110	6.7
110.02535	0.4
111.00864	1.1
113.06809	0.4
119.04976	0.5
120.35998	0.3
120.99330	3.2
124.01670	4.3
131.05022	0.9
135.31213	0.5
136.98820	18.3
136.99879	0.9
137.99542	1.7
143.05045	0.7
145.06607	3.8
149.99593	1.2
150.01933	0.5
151.02298	0.4
152.01160	1.8
153.07146	0.7
156.58974	0.4
157.06549	0.7
164.98314	42.0
165.07137	0.5
165.99078	4.2
169.06615	1.9
171.04541	3.1
171.08130	0.9
173.06100	3.1
177.99152	2.0
181.06610	2.6
183.04512	0.5
185.06020	0.5
190.98651	0.4
193.06584	1.6
197.06136	2.2
199.04024	3.4
201.05563	1.6
205.06616	0.7
206.00880	0.4
209.05948	0.5
213.05627	1.9
221.06062	1.3
223.07639	0.5
225.05580	2.9
227.03517	0.9
234.07043	0.4
237.05589	1.0
239.07132	1.0
241.05098	12.2
242.05632	1.3
243.06628	8.0
259.66940	0.4
265.05093	1.3
267.06641	1.3
268.06244	0.6
269.04556	100.0
270.05051	11.4
282.07706	0.7
283.07968	1.2
293.04648	0.5
310.07190	0.7
311.07547	3.6
325.12454	0.5
329.11731	0.7
339.06970	1.3
339.10626	1.2
353.11813	0.8
369.11334	1.1
371.12790	1.2
387.13385	0.5
397.10846	3.5
415.12167	8.3
416.12036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	20.5
69.26540	3.6
81.20740	0.6
87.83725	0.6
92.99828	4.5
95.01449	0.9
96.99313	4.9
98.22626	1.2
108.99311	1.0
110.00111	6.9
111.00912	1.0
120.99348	2.5
124.01681	2.6
125.40272	0.7
130.73293	0.7
132.91144	0.6
135.55072	0.6
136.00375	0.6
136.97803	1.2
136.98822	16.6
137.99576	1.4
145.06602	2.5
147.04524	0.6
149.99615	0.9
152.01176	1.7
157.06680	0.9
161.02440	0.6
164.98311	43.5
165.99065	6.0
169.06610	1.9
171.04536	2.8
173.06084	3.0
177.99084	2.6
181.06619	2.0
193.06584	1.8
197.06104	2.2
199.04044	3.1
201.05455	1.0
205.06563	1.1
213.05600	2.1
221.06133	1.7
223.07761	1.1
225.05605	2.0
227.03592	1.6
237.05623	1.4
239.07188	1.4
241.05081	8.6
242.05699	1.1
243.06676	7.6
244.06996	1.2
265.05090	1.1
267.06671	1.6
269.04575	100.0
270.05093	12.0
290.75073	0.8
293.04602	1.1
311.07587	1.3
369.11310	1.4
371.13269	1.1
397.10944	3.7
415.11932	9.7
416.12186	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	415.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	13.9
66.60349	0.9
68.99815	2.5
69.53475	1.4
69.53863	2.9
79.95747	6.6
83.01391	1.1
84.02784	1.0
89.36123	0.9
92.99832	1.2
101.03947	1.2
108.02183	7.0
110.00116	3.6
111.00900	4.9
119.05045	9.2
124.62272	1.1
136.98820	12.5
137.99562	1.1
145.02977	1.2
145.06587	2.8
146.36557	1.1
157.06558	2.9
162.01929	1.0
164.98340	8.1
165.99023	2.8
169.06581	3.6
171.04538	13.1
172.05115	1.7
173.06090	11.5
181.06622	1.2
186.05577	1.2
197.06035	2.2
198.78218	1.1
199.04082	2.9
200.04811	8.6
201.05513	1.2
213.05493	2.1
225.05565	3.7
238.06126	1.1
239.06966	1.5
241.05081	38.1
242.05420	3.6
243.06638	35.0
244.06992	2.5
266.05789	1.4
267.06583	1.4
268.06180	4.1
269.04556	100.0
270.05045	9.6
275.91867	1.2
280.00372	1.0
281.93069	1.1
295.06241	2.8
298.89429	1.1
329.12033	1.5
336.12524	6.4
353.11984	2.2
369.11295	1.3
371.12875	2.6
397.10889	6.6
415.11942	10.7
416.07544	16.8
416.12695	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80553	1.0
53.91308	1.4
65.00333	14.5
68.99830	3.2
79.36120	1.3
79.95747	1.0
82.95469	1.1
83.01374	1.5
95.01374	1.4
96.99267	1.3
108.02214	1.7
108.99335	1.3
110.00104	6.3
111.00883	5.9
112.46758	1.1
113.40076	1.1
117.03454	1.2
119.05013	8.4
121.02981	1.5
136.98824	18.0
137.99612	1.5
143.05042	1.4
145.06613	3.7
157.06589	3.2
161.02415	1.6
163.00404	1.2
164.98312	10.0
165.99068	3.3
169.06610	5.0
171.04533	15.6
172.04907	1.6
172.07431	1.1
173.06067	13.1
181.06628	2.6
186.05605	8.5
197.06152	1.8
199.04002	1.3
200.04773	1.5
201.05647	1.1
213.05717	1.4
225.05623	3.5
228.06740	4.2
228.54707	1.0
237.05666	1.4
238.03465	1.5
239.06947	1.2
241.05075	48.9
242.05450	4.0
243.06602	33.4
244.06938	1.7
261.16748	1.1
265.04932	1.1
268.06226	2.3
269.04535	100.0
270.05032	12.0
295.06079	1.1
296.05640	2.6
309.80701	1.1
312.36856	1.2
329.11642	1.5
353.12015	1.5
369.11081	1.4
371.13046	1.8
397.10928	5.9
415.11990	13.3
416.11862	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	415.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61240	0.2
59.01391	0.2
65.00330	13.0
65.99857	0.4
66.00673	0.4
67.01921	0.3
68.99815	2.1
69.04534	0.4
69.04933	1.0
71.78478	0.2
72.99346	0.2
82.00632	0.9
83.01399	1.9
85.27475	0.2
89.47736	0.2
92.99852	0.6
95.01388	1.0
96.00954	0.7
96.04514	0.2
96.99309	1.2
101.04019	0.6
105.17284	0.3
107.01417	0.4
108.00973	0.2
108.02230	0.3
108.99352	0.9
109.02995	0.6
110.00106	5.6
111.00900	7.9
112.01256	0.3
115.05564	0.4
117.03494	0.5
119.05027	0.3
120.99351	0.4
121.02968	0.3
123.00873	1.1
124.01708	1.9
127.05573	0.6
127.09397	0.2
129.07149	0.4
130.04285	0.3
131.05055	1.5
132.05341	0.2
135.00961	0.6
136.00410	3.5
136.98820	14.4
137.00764	0.8
137.02486	0.6
137.99681	1.3
141.07124	1.0
143.05006	1.0
145.02924	0.2
145.06612	3.6
146.06886	0.2
147.04510	1.8
151.05568	0.3
152.01192	0.4
153.07140	0.7
155.05043	0.8
156.05861	0.5
157.06593	3.0
158.06960	0.2
161.02480	1.1
163.99910	2.9
164.98318	6.4
165.00412	1.1
165.07048	0.3
165.99123	2.4
169.06613	4.7
170.06923	0.2
171.04539	14.2
171.08084	1.1
172.04985	0.9
173.06088	21.9
174.06429	1.2
174.72821	0.2
176.01146	0.3
177.07233	0.2
177.99081	0.2
178.99846	1.1
181.06592	1.6
183.04477	0.5
185.05945	0.3
189.01990	0.2
193.06615	1.1
195.04510	0.4
197.06143	2.3
199.04004	1.7
199.05968	0.3
199.07663	2.5
200.07964	0.4
201.05623	0.9
206.07097	0.4
209.06282	0.3
211.07629	0.4
213.05637	1.7
214.06174	0.3
215.07208	0.4
221.06058	0.7
222.06554	0.4
223.03860	0.2
223.07654	0.4
224.04893	0.4
225.05579	3.3
225.07608	0.3
226.05884	0.4
227.03389	0.2
227.05452	0.3
236.07419	0.2
237.05580	1.1
238.06238	0.6
239.07156	1.4
240.07384	0.2
241.05084	42.3
242.05443	3.2
243.06635	55.5
244.06981	4.2
249.05452	0.3
265.05051	0.6
266.05832	1.8
267.06512	1.0
268.06143	4.9
268.19553	0.2
269.04507	100.0
270.04965	11.2
278.05743	0.3
280.06110	0.3
285.12881	0.2
293.04468	0.3
298.07101	0.3
309.12720	0.3
312.01794	0.3
324.05151	0.3
325.12219	1.2
327.13821	0.3
329.11823	1.8
353.11884	2.8
354.12244	0.5
356.07843	0.3
357.84485	0.2
369.11194	1.7
370.11627	0.3
371.12866	2.6
372.13208	0.3
373.10767	0.3
397.10831	6.0
398.10989	1.4
415.11877	11.1
416.12381	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44767	1.5
52.47348	1.4
56.46182	1.6
57.03446	16.8
57.71324	1.9
58.30991	1.4
59.01382	33.9
62.67596	1.5
63.46532	1.6
67.01903	2.2
69.11532	10.7
71.01388	24.3
73.02959	7.1
79.83972	1.5
81.03461	7.5
83.01405	2.7
83.96593	1.6
85.02969	9.8
89.02459	20.9
91.01914	3.6
95.01409	3.7
99.00885	23.9
99.04492	2.6
101.02448	14.2
105.59537	1.7
106.96702	1.9
107.01370	3.4
108.02193	7.9
109.02965	11.4
111.00869	3.0
113.02471	12.4
117.03483	2.2
119.05041	74.9
120.05418	2.1
122.03777	2.8
123.00888	5.8
123.04535	22.8
124.04932	2.0
131.03502	4.2
133.02977	15.1
137.02469	3.6
138.03247	9.2
149.04578	10.1
149.05769	1.7
150.03201	1.7
151.00400	14.5
151.04086	1.6
152.01205	12.0
153.01950	4.6
153.05611	11.8
161.04573	5.4
165.05556	2.6
165.99028	2.5
166.02745	21.3
167.03513	72.2
167.07153	3.6
168.03859	1.8
180.60916	1.6
181.05054	17.7
182.02226	3.7
191.05603	11.5
191.07124	3.8
194.02220	12.7
195.02937	4.0
197.04570	5.2
201.01958	3.9
209.04565	100.0
210.04866	4.5
237.07629	3.0
239.05591	18.2
255.05208	5.9
269.06699	31.4
270.07108	2.0
271.08365	8.0
279.08838	4.9
295.08200	3.3
313.09283	8.6
329.08759	3.6
353.12326	6.5
371.11328	5.8
383.11646	10.6
397.08957	2.8
415.14227	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31690	0.8
53.23434	0.9
59.01384	41.6
67.01888	1.6
70.56384	1.1
71.01383	9.9
72.99297	0.9
73.02960	2.2
79.95734	1.3
81.03461	1.5
83.01399	1.7
85.02944	4.1
89.02457	5.3
91.01904	3.7
91.56563	0.8
95.01373	2.4
97.02958	1.0
98.21904	1.0
101.02445	5.3
103.04025	1.2
107.01391	4.2
108.02177	11.1
109.02975	11.7
111.00896	1.7
112.19963	0.9
113.02444	4.3
118.71803	0.8
119.03487	2.7
119.05035	1.0
122.03776	3.5
123.00942	1.5
123.04539	25.5
124.01637	1.1
125.02437	1.3
129.64265	0.9
135.00890	0.9
150.03241	2.9
151.00385	12.3
152.01169	13.9
153.01952	13.3
154.85631	1.0
161.04640	1.2
166.02725	20.5
167.03508	79.0
168.03865	4.1
181.05086	16.9
194.02214	13.7
209.04567	100.0
210.04909	5.9
239.05626	12.3
265.09305	5.5
269.03897	2.0
269.06693	32.1
270.07126	1.8
298.50937	1.1
383.09891	6.0
415.12457	67.8
416.12939	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	415.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66979	0.6
59.01383	0.6
65.00309	0.7
81.64139	0.5
82.24487	0.6
120.24875	0.5
120.83470	0.6
164.98216	0.6
165.07068	1.1
167.08710	3.3
169.06592	11.2
177.93552	0.6
178.99889	1.0
200.25841	0.6
211.07663	100.0
212.08009	7.3
221.02849	0.6
239.07153	1.1
268.06088	1.5
269.04181	0.7
269.06677	1.5
272.77637	0.6
299.03735	1.2
320.51984	0.6
390.41592	0.6
393.31564	0.6
415.13791	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00806	0.6
59.01384	1.3
65.00311	0.7
69.30206	3.2
74.65987	0.5
96.00920	0.6
96.22003	0.6
107.01405	0.9
122.99128	0.9
136.00439	1.2
137.00742	0.7
163.99876	1.4
165.07108	0.9
167.08653	4.0
169.06602	8.5
171.04585	1.0
178.99893	1.2
195.08130	0.8
195.52631	0.6
211.07658	100.0
212.07977	7.6
224.06918	0.6
225.07491	0.8
239.07092	1.8
265.28265	0.7
268.06235	3.6
269.04092	1.2
269.06726	3.7
280.98541	0.7
299.04004	0.9
352.68423	0.5
415.08597	0.8
415.13858	12.9
416.14279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39442	0.7
59.01374	0.9
61.98845	0.8
65.00327	1.4
67.01900	0.9
68.99788	0.9
69.03464	3.1
77.90687	0.7
83.01361	0.8
84.03473	0.8
91.05559	1.1
93.03470	6.5
93.22857	0.8
95.01405	2.4
95.05035	1.7
97.06626	1.8
98.95612	1.6
105.03465	1.1
108.02209	1.3
109.02978	2.1
109.06583	0.9
110.00080	0.8
111.00885	0.8
115.04050	0.9
115.52892	0.7
117.03495	1.9
119.05040	55.0
120.05385	2.2
121.02966	9.6
121.06606	1.1
123.04537	4.0
123.08194	2.1
125.09738	9.6
127.04032	1.3
133.02975	10.4
134.03748	1.6
135.04538	4.6
136.98758	0.8
137.06085	1.5
139.00340	1.5
139.04015	1.2
143.05074	1.3
145.02928	4.4
145.06596	1.1
147.04535	2.4
147.08180	1.7
148.01567	0.9
149.02466	4.0
149.06032	1.3
151.07608	1.2
157.06577	1.6
157.25389	0.8
158.03819	1.0
159.04538	1.1
161.02498	0.9
161.06119	1.5
162.03183	1.1
163.00302	1.1
163.04002	1.3
163.07643	2.8
165.99100	1.7
171.04576	1.2
171.10284	8.5
173.06128	1.4
175.03976	2.4
175.07680	3.0
176.04839	0.9
177.05603	2.7
185.06107	1.6
187.04037	1.7
187.07686	1.1
187.09775	4.1
189.05637	4.5
190.06203	0.9
191.03604	0.8
191.07176	2.4
193.08734	1.9
194.05856	0.9
195.06718	1.0
197.06023	1.1
197.09715	2.2
199.04034	2.7
199.07597	0.9
201.05632	1.3
212.04698	0.9
213.05634	1.5
217.08737	1.0
219.06609	4.9
219.10320	2.1
221.08110	1.5
222.06927	0.8
223.07690	2.1
225.05530	2.0
225.09288	1.0
226.06351	0.9
227.03503	1.1
227.07159	1.0
233.08034	0.9
239.07216	1.5
239.10841	1.5
241.05061	1.0
241.08684	1.8
243.12436	1.3
253.05275	1.8
253.08817	0.9
255.02997	0.8
255.10255	1.7
257.74841	0.8
261.13519	3.2
263.05573	4.0
266.05884	1.9
267.06519	0.8
267.10315	3.6
268.07413	1.7
269.05011	0.7
269.08179	4.6
271.02448	0.8
281.08029	1.0
283.09808	3.4
283.13312	0.7
285.03949	1.1
286.04828	1.2
293.11893	1.2
295.06537	0.9
295.09894	6.7
295.13007	1.4
296.10284	1.5
299.01999	6.4
300.02609	1.5
311.12759	0.9
321.11404	2.0
325.03464	1.1
339.12418	7.2
340.12878	1.4
353.66907	0.8
383.11395	100.0
384.11734	12.9
397.09091	4.6
415.14594	17.3
415.19925	1.2
415.22729	2.4
416.14532	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	415.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
67.01902	0.4
69.03465	0.4
73.02954	0.6
75.13297	0.4
77.99918	0.4
87.04471	0.4
93.03522	0.9
97.02961	0.5
101.02444	0.7
107.05029	0.4
107.27132	0.4
117.03493	0.6
119.05041	100.0
120.05377	3.9
121.02921	0.4
121.06612	0.5
122.03791	0.4
123.04539	3.2
123.08176	2.7
125.02491	0.6
127.03978	0.4
133.03012	0.7
143.05022	1.5
145.02959	0.7
147.04547	0.5
149.02470	0.6
149.06064	0.5
151.04094	0.9
151.07666	0.8
153.05641	0.6
163.00410	0.7
163.07623	0.6
165.99069	0.5
167.07164	4.5
167.87300	0.4
175.04060	0.5
175.07646	1.2
176.04709	0.5
177.05525	0.9
179.07187	0.8
187.04016	0.7
189.05597	0.5
191.07143	0.8
191.23480	0.4
193.05124	0.6
195.06618	2.3
201.05783	0.5
207.06664	1.8
217.05029	0.5
219.06677	2.1
227.09258	1.8
235.06134	0.8
245.04762	0.5
251.09244	2.0
263.05637	1.8
269.10327	1.8
295.08246	19.8
296.08646	1.4
314.15265	0.4
383.11618	2.8
384.11850	0.5
397.09131	0.7
415.14246	9.3
416.14319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39923	0.6
55.38434	0.6
56.63874	0.6
59.01354	1.1
61.98835	2.9
65.00330	1.5
65.52217	0.6
69.03474	0.7
83.01408	0.6
88.45895	0.6
93.03495	1.2
95.01440	0.7
95.05018	0.6
97.02961	0.9
99.04530	0.7
107.05092	1.1
115.04025	0.6
117.03461	1.0
119.05040	100.0
120.05365	4.0
121.03017	0.8
123.04543	7.2
123.08166	3.6
125.02466	0.7
133.02966	8.0
135.00883	0.6
135.04552	4.3
136.98843	0.6
139.86987	0.7
143.05014	2.4
145.02980	1.4
151.03958	1.0
151.07587	0.8
153.05664	0.8
159.04550	1.1
163.00398	2.4
164.98346	2.0
167.07159	6.6
171.10385	0.8
173.06139	0.9
175.07689	1.0
179.07118	0.9
183.06651	0.7
185.07240	10.5
187.04013	2.1
189.05586	0.8
191.07098	1.4
195.06642	2.5
199.04008	7.7
200.04541	0.7
201.01904	1.4
201.05550	0.9
207.06696	1.2
217.05017	0.6
219.06677	2.5
227.03587	3.3
227.09328	1.2
235.06158	0.9
242.09346	5.1
243.03006	2.1
245.04588	1.0
247.06065	1.0
247.68097	0.6
251.09174	1.0
255.02942	1.8
263.05789	1.8
269.10431	1.2
271.02512	2.4
282.01474	0.6
295.08228	8.8
296.08792	1.2
297.07706	1.1
299.02011	18.8
300.02600	3.6
307.06027	0.6
339.12476	0.6
341.23221	1.5
365.10269	1.4
371.15106	3.6
383.11511	6.8
397.09024	11.7
398.09503	1.5
415.10333	24.6
415.14551	9.9
416.05902	0.8
416.09799	3.0
416.15237	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03442	2.0
58.00592	1.3
59.01385	100.0
69.03463	3.2
69.05496	1.0
71.01390	55.9
73.02949	7.6
81.03455	1.8
83.01396	5.7
85.02960	12.6
87.00876	10.3
89.02454	57.5
93.53851	1.0
94.27466	1.1
94.36057	1.0
95.01356	2.4
97.02988	6.2
99.00906	3.0
99.04520	1.5
101.02453	45.9
104.90255	1.1
113.02470	22.7
119.03524	21.5
119.04945	1.2
121.02964	3.5
125.02459	11.2
131.03514	4.6
143.03506	8.2
149.04608	2.3
161.04539	8.8
166.30054	0.9
174.03163	1.2
179.05637	21.2
221.06670	5.4
235.08272	8.2
253.09367	6.1
263.07742	3.9
287.07803	2.1
299.02127	1.4
305.08887	2.5
397.09036	1.3
415.14600	70.6
416.15067	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	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01384	17.9
67.01905	1.5
69.03474	1.7
71.01382	9.0
73.02952	5.4
81.03456	1.4
83.01388	3.7
85.02960	3.7
89.02448	13.2
95.01401	4.0
95.05019	1.3
97.06613	1.6
99.00885	18.6
99.04530	0.9
101.02448	5.1
107.05038	2.6
109.02973	6.7
109.06574	1.1
111.00888	2.1
113.02455	6.8
117.03493	1.4
119.05038	100.0
120.05370	3.7
121.03016	1.1
121.06644	1.2
123.04543	12.6
123.08170	1.9
131.03508	2.4
132.02191	1.7
133.02969	57.8
134.03348	2.8
135.04541	3.2
136.01646	0.9
137.02470	5.1
137.06099	1.0
138.03224	1.4
139.00378	1.4
140.01170	1.1
143.05046	1.3
145.02959	1.8
147.04538	1.2
147.08162	2.2
148.01634	0.9
149.04567	8.1
149.06100	3.2
151.04007	2.8
151.07642	2.8
152.01077	1.0
153.01927	0.9
153.05580	1.3
161.02432	5.0
161.04553	3.6
162.03133	1.5
163.07645	1.4
165.05548	5.4
167.03499	6.2
167.07155	3.8
173.02438	0.9
173.06081	2.7
174.03252	1.6
175.04005	8.9
175.07692	2.4
177.01938	1.3
179.05595	1.2
179.07066	0.9
181.05121	1.5
182.02237	2.8
187.04066	1.4
189.05573	1.4
191.04028	1.2
191.05603	6.5
191.07193	6.7
193.04988	1.8
195.06635	1.4
197.04527	1.1
199.04001	1.0
199.07666	0.8
201.01932	9.1
201.05621	1.2
209.04509	4.5
209.08218	2.1
212.04865	1.1
213.05493	1.0
217.05051	3.0
217.08609	1.9
219.06586	2.3
219.48347	1.1
227.03479	1.2
235.06116	1.1
235.09744	5.5
237.07614	8.5
243.06660	1.5
245.04477	1.3
257.04568	1.1
261.07745	2.6
263.05618	1.0
271.08459	1.0
279.08771	16.9
281.04779	1.1
281.08276	1.8
283.09781	1.5
291.06607	1.7
295.08215	2.5
297.07693	1.7
309.07660	3.1
309.11163	1.4
325.10663	1.5
327.08945	6.0
335.09247	1.5
351.08850	1.0
353.10190	7.2
354.10733	0.9
371.11411	23.1
372.11789	2.7
380.93225	0.9
383.11459	17.3
384.11697	2.6
397.09274	18.7
398.09430	1.9
415.10208	16.3
415.14343	14.3
415.21286	0.9
416.10062	1.9
416.14691	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52316	3.0
57.03456	9.6
58.04109	22.8
59.01383	55.9
65.00333	5.6
66.03491	7.3
68.99812	3.3
69.03465	4.5
69.59724	9.3
69.60117	5.7
70.36549	3.2
71.01392	16.7
72.00934	4.2
72.60307	3.0
73.02953	8.3
75.00913	3.1
79.95724	5.6
80.96552	6.0
81.02190	4.0
81.03466	96.2
82.02995	4.9
83.01406	9.0
85.02966	8.4
87.00881	6.0
89.02461	7.5
93.03473	8.8
95.01405	41.8
96.96033	5.9
97.02973	8.0
99.00910	3.6
101.02481	9.5
107.05083	3.2
108.02204	22.1
108.04563	44.8
109.02969	5.7
110.02496	19.9
110.06113	4.8
111.00899	14.1
112.01168	5.3
113.02438	15.0
117.03487	4.5
117.07138	3.3
119.05025	33.7
120.08220	3.1
121.03001	3.1
122.17464	2.9
123.00933	4.9
123.04517	19.4
125.02463	10.5
127.09937	6.1
130.04253	5.8
133.02986	7.4
133.06639	3.2
135.04543	17.1
136.01685	29.5
136.04050	5.6
136.98892	4.9
137.02487	26.6
137.10858	40.8
138.10388	22.8
139.00415	18.7
139.08794	13.3
140.00749	5.8
143.03535	3.1
143.05022	16.3
145.02911	4.3
145.06609	100.0
146.06932	5.0
149.02444	8.0
149.06097	3.3
150.05661	3.4
151.00400	5.0
151.04024	46.7
152.01164	21.4
152.03551	14.0
153.01950	5.8
153.10313	3.1
157.06575	8.3
157.90576	3.0
158.03668	4.7
159.04501	4.0
159.59746	3.7
161.02475	7.2
162.79849	3.0
163.04036	3.5
164.07196	3.2
164.98325	6.4
166.05095	3.1
167.03517	59.2
169.01454	6.7
171.04550	17.4
171.08188	6.1
172.05202	6.3
173.06058	9.1
176.03577	6.2
177.01923	4.4
177.05412	4.3
179.11916	82.3
180.12239	4.9
181.06621	4.1
181.10982	12.5
183.08879	5.4
187.04053	13.5
187.07657	46.6
199.07722	19.2
206.09662	3.2
209.04567	5.0
211.03964	4.0
216.10252	4.0
220.02594	15.0
221.14114	12.0
231.06622	27.7
243.06633	31.8
243.15038	17.5
251.07191	3.7
253.10983	5.0
265.08737	4.1
269.04465	8.4
283.02493	5.9
283.09863	4.1
285.04074	5.2
285.16104	56.1
286.04416	10.4
286.16464	4.6
287.05551	9.9
309.17328	3.5
310.15683	5.0
315.05087	10.6
327.09024	3.3
327.18286	95.5
328.18558	13.3
329.15137	7.2
355.10281	3.5
366.05942	7.2
371.17212	36.3
372.17322	6.5
379.16220	5.7
383.35889	3.6
384.07291	5.7
397.06088	5.2
415.07068	7.6
415.11713	4.4
415.15909	9.6
416.09653	17.2
429.25311	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	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11447	0.7
54.21309	0.6
55.01888	1.9
57.03454	1.3
58.00602	1.8
59.01385	91.6
60.01714	1.6
64.25717	0.6
65.00330	0.7
67.29855	0.6
69.03465	0.6
69.17617	3.3
71.01389	54.8
72.01733	0.7
72.11412	0.6
72.99306	1.7
73.02954	26.0
83.01398	2.9
85.02467	1.1
85.02964	15.5
87.00885	2.1
89.02454	67.7
93.03468	1.1
95.01401	7.2
96.96115	0.6
97.02941	1.0
98.02448	0.8
98.21871	1.4
99.00888	100.0
100.01254	2.0
101.02454	22.9
102.20389	0.6
113.02462	43.0
114.02787	1.5
119.03558	8.7
119.05032	28.7
120.05334	1.1
123.00927	5.6
123.04543	0.8
125.02457	0.9
131.03522	13.0
131.04491	1.4
132.03906	0.8
135.04491	0.9
143.03531	3.7
145.02971	0.9
149.04573	45.5
150.04855	1.4
151.00354	1.5
151.03966	1.0
161.04573	18.9
166.01463	0.9
167.07106	0.9
179.05553	3.0
182.04555	2.0
191.05632	46.9
192.05904	1.9
195.06345	0.8
201.01965	0.7
211.02263	0.8
233.06683	8.3
251.06775	4.3
265.08276	0.8
270.07620	1.0
279.08719	1.4
295.08163	1.8
371.12415	5.6
383.11090	1.6
397.08945	1.2
398.08786	0.9
415.16266	18.4
416.16006	2.5
416.21027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15708	0.9
59.01387	100.0
60.01726	1.5
65.00320	2.2
67.01877	1.0
69.07482	6.4
71.01402	4.8
83.01433	0.9
85.02958	2.0
89.02428	4.6
93.03477	1.6
95.01423	1.4
101.02444	2.0
103.88714	0.9
113.02491	1.9
117.03488	2.7
119.05043	91.5
120.05399	4.2
121.03004	1.2
123.04527	2.0
123.08177	3.4
133.03017	1.6
135.04552	2.7
136.63805	0.9
136.98801	2.0
143.05043	2.3
144.39607	1.0
145.03024	1.1
149.06104	1.5
151.04012	1.1
151.07701	1.6
154.99818	1.0
156.00676	1.5
161.02431	0.9
163.00470	1.1
163.04021	3.7
163.07686	2.0
165.05566	1.7
165.99052	1.4
167.07161	4.2
175.04126	1.5
178.06299	2.3
187.03998	2.6
191.07141	1.9
193.08752	4.0
195.06616	1.3
199.04034	1.1
207.06712	2.6
219.06580	2.0
227.09285	2.3
229.48940	1.0
243.02946	1.4
251.09157	1.8
253.07251	2.0
263.05600	1.6
283.02518	1.2
285.04095	3.6
286.05072	1.5
295.08276	21.5
296.08554	1.4
300.02750	17.1
300.05972	1.6
301.03296	2.3
371.11368	1.7
383.11374	5.0
397.08936	1.3
415.09363	1.7
415.14697	12.7
415.19684	3.0
416.14453	1.8
438.59485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.9
55.93826	1.8
57.03455	6.3
59.01385	100.0
65.00327	3.3
69.03461	2.4
69.51994	1.8
71.01390	77.2
71.41341	1.7
72.99311	6.6
73.02951	39.2
75.00845	2.2
79.95770	3.0
81.03468	4.6
82.03003	2.3
83.01393	15.0
83.05035	2.9
85.02961	56.6
87.00899	6.5
89.02452	14.0
93.03476	3.6
95.01393	11.2
95.05110	1.7
96.95982	3.4
97.02959	5.0
99.00902	8.8
99.04547	2.3
100.03986	1.8
101.02454	68.7
103.04005	9.1
107.05051	4.1
108.02182	2.2
109.02949	4.0
110.02479	2.1
111.00893	8.6
112.01162	2.8
113.02460	42.1
115.04034	2.1
117.03474	2.0
119.03529	7.4
119.05034	18.3
121.02984	3.9
123.00931	2.8
123.04539	6.9
125.02480	6.0
129.01984	2.4
130.85446	1.7
132.82971	1.9
135.04526	9.4
136.04045	2.4
136.98807	2.2
137.02452	3.4
139.00400	10.2
143.03503	5.6
143.05103	5.7
145.01543	2.4
145.06610	2.4
149.02461	2.6
151.00436	2.3
151.03995	4.1
158.03726	2.3
159.03044	6.0
159.04449	2.5
161.02441	4.3
161.04579	47.4
163.06168	5.9
167.03545	6.6
169.01515	3.0
170.04544	1.8
176.03468	2.7
177.01974	2.2
187.04094	4.2
203.07343	2.3
209.04587	1.9
221.97256	2.0
269.04544	6.1
269.10327	88.0
270.10623	5.0
283.02612	2.3
285.16086	2.3
286.04401	5.0
296.97858	2.1
315.05121	4.6
340.07581	2.3
350.44403	1.8
371.11499	2.6
397.11920	2.8
415.16287	33.2
416.09845	8.0
416.16214	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	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01721	1.5
69.48563	3.7
71.01389	4.5
73.02976	2.8
76.02404	1.0
85.02984	1.0
89.02467	2.4
98.22668	1.7
101.02452	2.5
109.02971	3.1
113.02454	1.7
117.03476	2.4
119.05038	16.3
120.05446	1.1
124.50879	0.9
133.02957	4.2
135.04565	5.4
139.44571	0.9
151.04073	1.1
161.04582	1.9
163.04005	2.4
165.09369	0.9
174.06190	0.9
178.06342	2.8
193.08725	5.1
195.06764	1.3
210.51292	0.9
235.09712	2.2
258.80725	0.9
267.03110	1.0
268.03784	5.9
269.04471	2.3
285.03928	1.0
295.08182	1.8
299.02039	1.6
317.03244	1.1
327.08810	1.2
350.20700	1.0
369.09323	1.0
371.11276	2.1
383.11584	1.7
397.09375	4.1
415.09775	9.4
415.14847	2.0
415.19794	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	415.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37214	0.6
70.91811	0.9
74.99100	6.7
77.00673	70.4
78.01019	0.7
98.89265	0.5
99.68459	0.5
107.44919	0.5
132.34523	0.5
147.08139	1.7
149.09763	1.2
160.08969	0.7
161.09746	0.8
163.11331	2.0
187.11339	2.6
198.78053	0.5
228.22295	0.6
246.79240	0.5
255.84326	0.5
269.04703	1.0
277.83167	0.5
279.14035	1.1
280.14536	1.2
298.68085	0.6
307.16968	0.9
309.22281	2.4
321.18707	0.8
322.19205	0.7
332.01291	0.6
337.21750	100.0
338.22052	12.9
415.06888	1.2
415.23050	10.9
416.23233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47907	1.1
59.01385	15.8
68.99821	4.9
69.16408	6.2
70.64370	1.2
71.01394	2.1
81.03456	2.5
82.02991	8.4
83.01411	4.2
89.16676	1.2
93.03462	5.7
95.01400	4.5
97.02918	2.0
98.02485	2.4
99.00902	3.1
99.04460	1.2
101.02470	1.6
107.01402	1.5
108.02184	1.7
109.02956	2.9
110.02454	1.6
117.03490	5.0
119.05042	92.5
120.05402	4.3
121.03010	2.9
123.00872	3.2
123.04545	7.8
124.01599	1.3
124.04066	9.4
125.02461	14.8
126.02020	2.8
135.04544	1.7
136.98792	1.7
137.02448	2.4
139.04041	4.0
143.05055	10.4
145.02960	22.7
147.00826	1.3
149.02481	5.6
150.02016	3.9
151.00372	15.4
152.03578	3.3
153.05605	3.7
154.01505	4.4
158.03743	1.3
159.04655	1.0
161.02403	1.1
161.04924	1.2
161.06122	5.8
163.04080	2.7
166.05180	1.3
167.03571	1.2
168.03033	8.0
175.00334	3.1
183.08214	2.0
185.06114	4.1
187.04028	24.8
188.04364	1.5
192.03027	1.8
196.02623	5.6
199.07750	1.9
207.03047	3.8
207.08321	1.3
211.04114	2.9
220.02510	2.1
221.91197	1.2
223.07669	1.7
225.03874	1.7
225.09309	1.9
227.07149	6.2
229.05077	3.3
241.08723	1.4
251.07204	3.0
253.05161	2.2
261.07788	1.7
267.06577	1.8
269.08258	8.8
270.08203	1.4
278.03134	3.2
283.02548	7.3
289.81277	1.2
295.06030	4.8
298.07303	2.4
315.05136	8.5
316.08282	3.9
327.08786	3.3
340.08191	1.3
366.06271	4.2
384.07135	7.3
398.09146	1.7
416.09921	100.0
417.09863	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	416.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99749	0.9
59.01384	3.0
61.98828	2.0
62.19477	1.1
62.82838	1.0
68.99820	1.5
70.63048	1.7
71.01393	5.5
71.05020	7.8
71.30421	1.3
82.44452	1.2
88.04049	38.8
94.99657	1.1
95.38502	1.2
95.69611	1.1
96.95996	1.4
99.04525	2.2
99.92594	7.7
100.93369	2.2
111.00854	1.3
112.04098	2.2
113.02453	3.2
115.92098	4.0
119.05055	9.0
125.02492	1.4
142.94444	4.0
143.95216	2.8
145.02991	2.0
146.08257	47.4
150.01938	1.2
151.00354	1.3
152.01190	2.5
161.04625	1.4
172.95769	1.3
187.04021	5.0
218.10353	100.0
218.96420	1.6
219.10648	5.7
242.10327	2.4
260.11362	14.7
283.02472	1.7
290.12601	1.6
298.07416	1.3
315.05264	3.0
320.13467	3.6
416.08914	6.6
417.10126	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	416.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01719	1.5
71.01395	2.5
71.41456	1.0
74.33488	0.8
75.36100	0.6
78.85410	0.7
79.95750	3.0
82.03010	0.9
85.02959	1.4
88.29520	0.7
89.02454	1.4
93.05888	0.7
94.02972	1.3
96.96015	0.9
99.00913	1.3
101.02474	1.7
104.52315	0.6
109.03035	0.8
111.00884	0.9
112.91564	0.6
113.02467	1.4
117.44993	0.6
119.05062	2.8
121.03003	0.7
123.04563	2.6
124.04882	1.3
133.06689	0.6
135.04594	0.8
136.98831	0.7
152.01205	1.0
153.01950	1.1
166.02742	1.6
167.03502	4.3
167.05113	1.2
168.03883	2.7
171.04549	4.2
181.05125	1.4
182.05452	0.9
187.04066	1.2
189.48816	0.9
194.02280	0.8
195.02766	1.1
201.05612	1.0
209.04546	7.4
210.04935	7.1
227.03667	0.8
236.98091	1.4
238.03589	1.6
240.06017	0.9
255.03134	0.9
267.55551	0.8
270.07135	2.5
299.02170	1.7
303.80157	0.7
314.04376	1.7
315.05157	3.0
322.00989	5.5
384.10593	0.9
401.96664	1.5
416.13571	7.3
416.98999	5.5
417.13135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56976	1.1
53.02660	1.2
56.33512	1.0
57.17616	1.1
59.01371	3.2
60.99305	3.3
71.01381	3.2
71.54649	1.2
73.02942	1.7
85.02944	2.7
87.00879	1.8
87.28657	1.2
88.98810	18.5
99.00883	1.9
101.02458	1.4
108.02177	57.1
109.02973	27.6
119.05025	1.7
122.89423	2.8
123.04524	1.3
134.10875	1.4
135.04538	1.4
136.01743	1.5
140.91258	1.1
148.90999	7.9
151.04019	3.7
152.01161	100.0
153.01820	3.9
161.02466	2.4
161.71021	1.1
166.35121	1.2
167.03677	1.4
176.90527	3.2
208.97691	1.2
218.44678	1.2
218.91568	1.7
241.07225	3.5
264.92081	7.8
417.10376	86.1
418.10800	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.8
60.68059	1.9
69.03448	4.6
71.01382	3.3
79.01884	2.5
79.93806	1.9
81.03452	3.3
83.01396	4.3
93.42412	1.9
97.02976	3.9
107.01394	2.3
108.02200	5.2
109.02969	5.4
123.00896	6.4
124.01666	22.0
125.02461	88.0
126.02769	3.2
135.04536	4.4
137.02473	4.2
138.03178	2.4
149.99606	51.5
151.00296	3.2
151.03912	3.5
152.01237	9.7
153.05536	3.3
167.03487	2.8
168.00658	100.0
169.01314	11.3
181.01337	1.9
213.07695	4.3
263.62634	1.9
280.86417	2.1
313.05493	3.2
324.08060	1.9
331.06714	73.5
332.07007	7.8
355.06824	5.4
359.10013	2.3
373.07776	82.9
374.08066	7.4
409.28363	1.9
417.10855	11.5
417.23199	4.1
418.10522	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74719	0.9
59.01374	2.3
60.60892	1.1
65.00321	1.0
65.71014	1.2
68.99820	5.7
69.25764	1.1
81.03487	1.3
83.01397	23.1
97.05788	1.1
99.00890	23.6
105.03494	2.2
106.04278	1.1
107.04963	1.3
108.02177	1.2
109.02967	4.7
111.00908	1.1
117.03445	2.6
119.05025	4.1
121.02967	3.4
123.04536	1.3
125.02445	2.9
127.05578	1.0
128.95125	1.2
131.05040	2.6
133.02971	3.1
135.04524	4.4
137.02451	11.8
139.03998	3.0
147.04512	5.6
148.05302	7.1
149.02470	1.3
149.06096	1.4
149.39540	1.1
151.00351	4.6
151.03993	4.2
159.02528	1.1
159.04510	1.7
161.02446	6.1
163.00435	1.2
163.59494	1.0
165.05565	2.2
166.02739	7.7
171.04524	1.3
175.04053	6.0
176.04813	3.9
177.01953	1.1
179.03506	1.6
181.05106	14.1
181.06561	2.1
191.03488	1.2
193.05077	3.4
203.03531	3.7
205.05125	1.1
207.06642	45.7
208.07043	3.4
211.07568	1.9
231.06367	1.2
235.06145	100.0
236.06578	6.8
255.06508	1.7
270.77579	1.1
271.06165	1.4
297.07742	10.3
323.05481	1.5
327.08762	2.7
341.06998	1.1
355.08206	4.4
373.09238	1.9
387.10889	1.7
402.13272	1.3
417.11224	2.5
417.15790	3.9
418.12213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54339	0.5
58.26545	0.5
59.01383	1.0
63.83767	0.5
69.56750	2.0
71.01373	1.9
73.02928	0.8
77.97423	0.5
89.02476	0.6
89.87586	0.4
101.02447	0.5
108.02182	53.8
109.02976	24.6
110.03282	0.5
131.03474	0.5
133.02931	0.5
135.04521	0.5
142.87799	0.5
149.50842	0.5
151.04007	1.9
152.01161	100.0
153.01672	4.1
157.30508	0.5
163.04094	2.5
219.02625	0.5
223.06223	0.5
241.07127	3.5
259.36911	0.5
285.06131	1.0
417.10400	96.5
418.10699	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	417.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
69.72644	2.1
71.01401	2.7
73.02953	1.3
89.02431	0.7
101.02438	0.7
108.02185	58.6
109.02984	27.6
110.03349	1.0
151.04002	2.4
152.01169	100.0
153.01550	4.5
163.04030	2.6
189.02399	0.6
241.07281	3.0
285.06213	0.9
358.41672	0.6
417.10425	91.6
418.10696	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	417.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31528	0.5
59.01382	4.3
61.98834	8.1
69.73087	1.9
71.01389	3.1
72.99301	1.1
73.02953	1.4
75.00894	3.9
78.95915	0.9
79.89187	0.5
85.02942	1.6
88.04035	0.9
89.02455	2.7
101.02459	1.1
107.05135	0.5
108.02183	59.1
109.02978	28.2
110.03297	1.3
112.05379	0.5
113.02465	1.0
116.07222	0.6
120.99673	0.9
122.02492	0.7
131.03496	0.5
146.08269	1.4
148.96614	0.5
151.03986	1.4
152.01163	100.0
153.01678	4.8
163.04028	1.9
207.03223	0.8
207.05064	0.6
218.10338	2.3
219.10698	1.3
238.04268	0.5
241.07123	3.8
248.74461	0.6
266.09122	0.6
285.06165	1.3
341.10898	1.1
417.10410	90.4
418.10764	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	417.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83134	0.3
52.27557	0.3
59.01378	0.8
61.98833	2.0
64.64778	0.3
68.99815	0.6
69.03443	0.4
69.66806	1.1
69.88787	0.3
71.01400	0.4
72.14957	0.3
80.87034	0.3
83.01425	0.3
85.06579	0.4
93.03443	0.5
95.05027	0.5
98.22639	0.3
101.98547	0.3
105.07125	0.4
107.05028	1.7
109.02952	0.9
117.03497	0.6
119.05071	0.4
121.06612	0.7
123.04562	0.5
123.08141	0.5
133.02977	0.4
134.03769	2.0
135.04547	100.0
136.04872	4.7
137.02493	0.3
144.56227	0.3
149.06119	1.7
149.09785	0.4
151.07689	1.1
153.01944	0.4
159.04550	0.4
161.02466	0.9
164.04771	0.4
165.09210	0.6
167.07217	1.1
175.07703	0.6
193.08685	1.4
195.06587	0.4
199.03947	0.3
201.05589	0.3
202.27791	0.3
209.08212	0.5
211.09811	1.8
213.15053	0.4
219.06641	0.5
220.02843	0.3
221.35367	0.3
237.07712	6.4
238.08112	0.4
247.13786	1.1
251.09172	0.4
311.13126	0.3
355.11746	2.2
373.13037	2.0
374.13385	0.4
389.94327	0.3
399.10849	2.2
417.11874	3.6
418.12189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01383	14.3
69.92077	1.1
69.92475	1.4
71.01389	8.0
73.02951	2.1
78.87041	0.6
81.03445	0.8
83.01391	1.2
85.02965	4.5
89.02453	6.0
89.08216	0.5
91.63538	0.5
92.02698	1.6
92.23306	0.5
93.03470	40.0
94.03793	1.6
95.01398	1.3
101.02456	5.6
103.04066	1.0
107.05027	1.2
113.02466	3.5
119.03508	2.3
121.02990	0.9
133.65970	0.5
135.03503	0.8
135.04533	15.9
135.06677	2.8
136.01668	4.1
137.02460	100.0
138.02786	3.7
147.04530	0.8
151.04070	2.5
175.28001	0.6
179.03502	13.6
204.92253	0.7
209.04590	1.6
221.04587	0.9
237.07745	1.4
239.05609	8.6
252.06491	1.2
253.07201	1.0
268.97238	0.7
281.06644	3.3
299.07758	1.1
303.49139	0.6
387.60858	0.7
399.10736	0.9
417.14069	88.0
418.14410	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	417.1558
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
59.32191	0.3
59.62547	0.3
65.00304	0.3
66.52722	0.3
67.01881	0.5
68.99820	0.4
69.17185	1.7
69.40601	0.3
72.64822	0.3
73.85098	0.3
81.03429	0.7
84.02147	0.4
85.02972	1.0
93.03481	0.5
95.01404	1.1
95.05034	0.4
105.03524	0.3
107.05052	0.6
108.02190	0.3
109.02958	4.3
111.00900	0.5
117.03477	0.9
119.05060	0.3
121.02982	0.9
121.06529	0.5
123.00895	4.2
123.04515	1.2
124.01666	0.7
125.02438	1.3
133.02937	0.4
134.03726	0.4
135.00890	0.3
135.04527	1.7
136.01707	0.5
137.02457	16.3
138.02917	0.6
139.04048	0.9
147.04550	0.6
149.02454	1.9
149.06125	0.4
150.03204	0.9
151.00381	29.9
151.03979	1.7
152.01173	3.1
152.04807	3.8
153.01860	0.5
153.05580	0.5
159.04515	0.8
161.02405	1.1
162.03246	0.5
163.04016	0.9
164.04797	0.6
165.01955	1.4
166.02725	70.6
167.03413	5.5
168.03859	0.4
173.02519	0.4
175.04022	1.3
176.01228	0.3
177.01941	5.0
177.05521	0.5
178.02641	0.6
179.03445	1.0
179.07042	0.5
181.05080	100.0
182.05405	4.8
184.03839	0.3
188.04781	0.3
190.02759	0.7
190.06384	1.8
191.03558	1.4
192.04323	2.3
193.05038	1.4
195.02965	0.9
202.02621	0.4
203.03409	0.4
205.05125	1.8
205.08696	1.7
207.06700	1.5
217.05099	0.5
218.05772	0.3
219.06645	0.9
223.06128	0.4
237.07663	0.6
255.83937	0.3
259.09723	0.4
301.07150	0.7
314.07858	0.4
329.10327	0.5
337.31247	0.3
356.12555	0.5
357.09689	0.4
359.11423	2.8
369.10440	0.4
371.15259	0.8
387.10846	17.7
388.11053	2.1
402.07861	0.7
402.13199	13.5
403.13391	2.1
417.15598	26.8
418.15979	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78061	0.2
59.01369	0.9
67.01875	0.5
67.24953	0.2
68.99823	0.4
69.03457	0.4
71.01375	1.0
74.68723	0.2
81.03445	1.0
83.01411	0.5
84.02148	0.3
85.02949	0.8
85.84435	0.2
88.06395	0.2
93.03456	0.6
95.01385	1.2
95.05007	0.5
97.02953	0.3
97.05881	0.2
97.06561	0.5
101.02448	0.2
107.05029	1.0
108.02160	0.6
109.02962	4.1
111.00867	0.6
117.03477	2.2
119.05048	0.7
121.02957	0.8
121.06565	0.7
122.03761	0.5
123.00887	4.7
123.04530	1.1
123.08165	0.4
124.01653	0.8
125.02436	1.0
127.09100	0.2
133.02945	0.7
135.04550	2.9
136.01692	0.4
137.02469	16.8
138.03169	0.7
139.00386	0.8
139.04010	0.9
140.01193	0.6
145.02994	0.4
145.93533	0.2
147.04506	0.6
149.02461	1.9
149.06105	1.4
150.03325	0.6
151.00395	28.4
151.04013	1.6
151.07646	0.8
152.01192	2.3
152.04810	3.7
153.02046	0.3
153.05554	0.6
159.04506	0.7
161.02475	1.7
163.03990	0.7
164.04793	0.6
165.01944	0.9
165.05565	0.7
166.02736	64.9
167.03436	5.2
167.07133	0.5
173.02406	0.6
174.03297	0.3
175.04031	1.8
176.01190	0.3
177.01958	4.5
177.05544	0.9
178.02708	0.6
179.03522	0.7
179.07193	0.3
181.05087	100.0
182.05389	4.0
184.03807	0.3
186.03410	0.3
187.04134	0.2
189.01881	0.3
189.05592	0.4
190.06386	1.2
191.03574	1.2
191.07259	0.4
192.04327	1.6
193.05107	2.0
195.02977	0.7
203.03482	0.7
204.04185	0.4
205.05055	1.3
205.08705	2.1
207.06644	1.3
209.04549	0.6
211.09790	1.3
217.05122	0.3
219.06622	1.0
223.06190	0.3
237.07727	3.0
238.08093	0.5
249.37685	0.3
255.08772	0.8
279.08768	1.4
297.09760	1.1
299.05743	0.4
301.07233	0.5
303.12851	0.3
329.10355	0.6
341.10321	0.4
356.13010	0.3
357.09781	0.6
359.11505	2.3
360.11664	0.4
371.14926	0.8
387.10858	15.3
388.11310	1.8
399.10895	1.9
402.13242	13.9
403.13693	1.4
417.06427	0.6
417.15640	25.0
418.15958	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	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03445	1.5
58.00585	0.6
59.01384	84.9
60.01723	1.2
61.98816	0.4
69.03466	1.6
69.15008	1.0
69.15417	1.4
70.80016	0.4
71.01386	39.7
71.68560	0.3
72.01733	0.7
72.99319	0.8
73.02951	33.1
75.00874	0.5
81.03487	0.6
83.01393	7.5
85.02955	13.9
87.00886	4.2
89.02453	15.8
93.03477	0.4
95.01396	4.0
97.02977	1.5
98.21894	0.7
99.00874	1.8
101.02449	27.8
113.02459	17.8
114.02788	0.7
117.03399	0.5
119.03495	5.0
119.05038	0.9
123.34608	0.4
124.01689	0.6
125.02456	2.2
131.03525	1.2
133.34660	0.4
135.04535	25.6
136.04861	1.5
139.00421	0.6
143.03516	1.2
149.04567	0.6
149.06096	0.4
151.00389	0.4
161.02458	0.6
161.04570	1.4
167.07071	0.4
169.16443	0.4
183.13924	1.7
192.85506	0.4
195.13905	25.1
196.14247	1.9
209.15529	0.8
211.09735	0.7
213.14977	10.4
214.15224	0.6
237.07736	2.1
237.14854	0.4
255.06639	2.5
257.59329	0.5
301.03104	0.6
302.04373	0.9
302.82391	0.4
349.50275	0.4
355.11835	0.4
357.19205	33.4
358.19498	2.5
373.12958	0.5
375.20255	48.7
376.20636	4.4
379.63028	0.4
399.10782	2.5
400.11557	0.6
417.21304	100.0
418.21646	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12610	1.0
57.03432	1.4
59.01386	100.0
60.01715	1.4
97.06588	2.0
105.01937	1.9
109.02949	1.5
111.08178	8.0
117.03500	3.2
119.05042	4.8
125.09715	8.9
131.91722	1.4
133.02969	1.5
135.04533	24.5
136.04883	1.2
152.01216	2.4
152.45914	1.2
157.79468	1.2
161.02432	1.2
164.98280	1.6
173.08189	5.9
187.09837	7.7
191.03467	1.4
238.56735	1.2
247.11850	2.2
261.13461	1.9
301.03024	1.8
302.04355	2.5
385.13211	1.2
399.10687	2.8
417.11325	4.2
417.21112	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.6
59.01385	100.0
69.45229	2.4
69.45628	3.5
71.01386	2.0
74.48015	1.4
77.67870	1.3
83.05038	2.6
86.66190	1.4
91.51653	1.4
93.03432	1.6
97.06606	2.1
98.21899	2.9
105.92178	1.3
109.02946	1.7
111.08176	16.2
117.03486	2.9
119.05021	4.2
125.02441	1.3
125.09734	14.0
128.48457	1.5
135.04532	25.6
139.00397	2.1
151.00337	1.5
161.02388	1.4
161.24361	1.6
163.28297	1.6
173.08215	13.1
178.99904	1.5
187.09787	12.6
200.53012	1.3
237.07780	1.6
247.11864	2.9
261.13516	4.6
301.03329	1.7
302.04199	2.3
399.10611	5.4
417.11563	4.1
417.21280	15.4
418.05853	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	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70622	1.2
51.70868	1.1
59.01386	100.0
64.54971	1.1
91.04042	1.3
99.08135	1.4
117.03428	1.5
117.94495	1.1
119.05064	6.2
120.05385	2.0
135.04546	5.9
136.97905	1.1
171.10234	6.9
193.12408	1.8
209.15555	1.1
225.14917	2.7
257.18448	1.2
301.02975	1.6
319.63187	1.4
343.24945	26.6
417.10773	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74860	0.4
59.01365	0.5
69.10299	0.3
81.89822	0.3
83.01394	100.0
83.88144	0.4
84.01722	2.9
97.02948	0.5
99.04529	2.6
109.02973	0.4
112.01711	0.6
135.04579	1.1
316.38593	0.4
333.20804	2.8
410.21646	0.4
417.22076	1.7
417.27191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.3
61.56345	2.6
62.77022	2.4
69.03448	5.0
69.35407	2.5
70.02972	7.5
71.41333	2.6
71.46706	2.3
72.86244	2.2
81.03445	4.9
82.03002	11.7
83.01386	3.1
84.05359	2.4
85.02949	4.0
93.52948	2.8
95.01403	9.9
96.00920	6.1
96.04557	20.9
98.02505	14.9
98.06109	3.7
100.04040	5.7
108.04565	10.3
109.75668	2.2
110.02480	21.6
111.00896	5.1
112.04039	2.3
122.06123	4.1
123.04560	5.1
124.00410	3.7
124.04057	30.0
125.01180	6.8
126.05617	10.9
135.04573	3.2
140.07213	7.2
145.06609	4.4
150.05634	11.6
151.04045	4.2
152.03529	8.7
161.02452	2.6
164.03508	2.9
166.05107	53.5
167.03539	2.4
167.05482	3.0
168.03041	5.7
168.06673	33.7
169.06616	2.6
169.68263	2.2
176.03470	2.3
180.03029	2.6
194.04601	33.2
199.07703	7.4
212.05598	12.8
213.05635	3.1
224.05605	2.5
237.09137	2.5
238.03575	67.1
239.04076	3.8
280.09814	2.9
295.09686	4.4
312.12451	2.7
322.56039	2.6
341.88269	2.7
386.08664	8.0
389.16193	2.3
393.80286	2.5
418.11462	100.0
419.12057	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	418.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69959	0.3
53.77128	0.3
55.33645	0.4
56.66306	0.3
59.01379	0.4
65.00317	0.5
65.99833	0.8
68.99802	1.0
69.48755	0.4
70.02983	0.4
70.68717	0.4
82.02969	0.3
83.01379	0.6
94.02985	0.8
95.01382	0.6
96.00916	0.9
96.04546	0.6
98.02481	12.1
98.46299	0.3
101.02429	1.2
108.02175	0.4
110.02480	3.8
110.77981	0.3
122.02511	2.8
123.03303	5.2
124.00446	0.4
134.02483	5.2
135.03275	8.9
136.00421	1.8
137.02432	0.4
137.19514	0.3
138.02000	3.0
140.03537	7.6
143.56865	0.4
146.02374	0.4
151.02785	6.6
152.03445	0.4
155.02234	1.7
157.06613	0.6
158.06102	0.6
160.07520	0.5
165.00745	0.6
166.01436	3.6
171.04509	1.4
173.06134	1.0
179.02295	1.0
181.06583	0.5
184.07730	0.7
185.06015	0.7
186.05608	1.4
192.03059	6.0
197.06122	1.1
198.09261	0.5
199.07678	0.9
200.07162	2.8
202.08640	0.4
208.02531	1.6
209.06161	0.7
211.04042	0.4
224.07164	0.9
225.05687	0.5
226.06487	0.6
226.08684	4.7
228.06662	5.9
229.07047	0.6
234.04141	1.6
242.08249	60.6
243.06876	0.4
243.08636	4.1
252.06705	2.3
268.03653	1.1
268.06396	0.5
268.09741	0.6
269.04251	2.2
269.06717	0.4
270.07736	98.8
271.08072	8.7
273.07462	0.4
312.08807	100.0
313.09225	9.3
356.60855	0.5
374.07486	2.3
400.12027	2.4
418.07745	0.9
418.12979	25.7
419.13370	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	418.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84855	0.8
65.00326	1.2
65.99845	4.2
68.99816	1.4
69.09052	6.0
83.01393	0.9
89.76465	0.7
96.00938	1.5
98.02505	1.1
109.01704	5.6
110.00118	1.2
110.02487	4.1
119.05032	2.6
120.00912	2.9
121.01710	4.4
122.02503	1.1
123.03275	3.3
134.02505	4.5
135.03247	4.9
136.00424	6.2
137.01207	2.0
138.01982	3.5
150.02019	2.0
151.02728	5.6
152.01140	1.2
153.88768	0.9
155.02260	0.8
163.99913	3.9
165.00694	23.6
166.01454	3.0
171.04573	1.3
173.06126	1.4
178.01498	2.6
179.02255	2.6
191.02257	1.4
192.03040	4.1
197.06094	1.1
200.07191	1.7
202.80930	0.7
213.05608	2.3
224.07463	0.9
226.08772	2.7
228.06711	2.1
239.03500	1.0
240.06729	2.2
241.05099	1.4
242.08240	44.0
243.08669	2.5
252.06606	0.9
253.05154	1.1
254.05940	1.2
268.06134	11.9
269.06891	15.1
270.07727	100.0
271.08084	8.9
282.07718	1.8
283.08670	1.7
296.09351	1.0
312.08878	2.0
343.09702	3.4
356.12982	2.5
372.12540	3.9
374.13983	22.2
375.14273	2.6
387.08807	2.5
400.11798	0.9
418.13004	75.5
419.13367	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	418.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16488	1.4
59.01381	8.7
69.39836	5.1
69.40242	2.8
71.01394	2.1
74.47027	1.6
84.01286	1.4
95.53623	1.6
96.00935	14.5
99.05646	16.1
109.01704	85.0
119.05022	4.9
123.03286	2.3
123.05681	1.6
130.08736	6.2
135.04543	4.0
136.04842	2.4
137.02467	2.3
138.09244	3.0
140.10823	2.5
141.06725	15.4
147.06010	7.2
166.08752	23.1
189.07039	70.2
190.07390	3.0
210.07733	100.0
211.08040	4.6
237.07674	2.1
257.04327	1.9
258.31775	1.5
280.08994	1.6
287.06531	1.5
289.59714	1.4
294.73648	1.7
358.14932	1.9
400.11090	1.9
400.15521	17.0
419.08826	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	419.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	51.2
60.99313	12.6
61.98827	8.6
64.80681	6.5
69.60626	13.6
69.60987	13.2
78.95923	17.6
88.98816	100.0
107.56867	5.9
109.02943	32.6
110.00100	12.4
112.33759	5.6
113.02519	6.6
117.03486	8.9
119.05024	25.0
133.02995	10.2
135.04535	14.2
151.03975	11.5
161.02493	17.1
165.99110	10.6
222.92473	11.2
246.97131	19.5
257.04507	8.3
286.04819	14.0
299.01981	18.4
314.04498	13.3
315.95892	6.7
329.06549	32.8
350.48807	6.0
403.94211	6.2
418.96292	12.6
419.08075	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	419.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19316	1.5
57.03426	1.6
58.63978	1.3
59.01380	3.7
71.05028	7.4
78.92882	1.4
81.03468	34.1
83.05038	4.1
84.02176	4.1
87.04530	13.0
93.83685	1.4
97.02960	11.7
99.04520	19.0
104.62047	1.7
109.03004	1.9
151.03900	1.5
245.27496	1.6
284.03415	2.2
286.04797	3.3
319.22864	5.8
352.54102	2.0
419.28082	100.0
420.28232	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	419.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.3
59.23761	4.7
65.00320	20.5
67.01894	5.2
68.99825	9.7
69.15787	17.0
69.16191	15.5
71.01405	7.4
74.01082	4.6
78.18677	4.6
81.03459	17.3
83.01395	8.3
89.02433	5.3
91.01847	9.5
91.05595	4.7
93.03476	6.2
95.01375	12.7
95.05038	23.4
107.01431	8.4
108.02163	10.0
109.02965	35.6
115.05569	12.2
117.03477	75.5
122.03735	7.4
123.00942	9.4
123.04549	9.7
124.01588	7.1
125.02447	12.9
129.07127	5.4
131.05046	7.6
135.00813	9.5
136.98865	5.2
137.02457	12.6
141.07118	12.8
143.05057	9.4
145.06619	17.5
150.03227	15.1
153.07065	11.5
155.08600	5.0
157.06587	18.2
159.04431	6.5
163.04010	7.3
165.07077	10.0
167.03508	36.0
167.04822	8.8
169.06570	14.9
171.04527	10.0
173.06108	69.1
174.06560	6.2
180.05840	12.8
181.06580	53.9
183.04546	6.3
183.08194	31.3
185.06104	15.1
195.08154	11.0
197.06042	20.8
197.09885	5.1
199.07649	15.8
207.08157	18.4
208.05280	8.1
209.06013	22.0
211.04100	5.8
211.07684	7.7
213.09212	12.1
221.06151	6.1
223.07707	25.3
225.05550	19.6
225.09251	29.5
226.06114	7.0
227.07166	23.4
227.10762	11.3
233.05739	7.9
237.05347	6.0
239.07164	40.5
241.08733	78.1
243.06621	10.4
251.07185	77.6
253.05066	36.2
254.05095	6.6
257.08228	24.0
267.06683	7.7
269.08209	58.8
270.08136	8.4
271.06207	12.0
283.06229	28.6
285.12714	6.1
295.05984	6.7
295.11285	23.7
299.04950	7.2
299.05563	9.2
299.09262	100.0
300.09546	9.4
307.78558	5.6
311.10751	16.3
313.07147	14.6
313.12411	33.7
329.11185	33.0
339.10168	19.5
347.12973	7.0
357.11322	76.5
358.11411	8.5
359.06662	13.0
375.22015	6.1
401.10275	13.9
419.13019	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	419.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72943	1.5
65.01540	1.4
68.99823	3.8
69.82813	2.1
69.83189	2.9
83.62663	1.3
86.65787	1.3
92.28086	1.3
93.03451	2.4
98.21854	1.4
101.02458	2.1
117.03499	2.1
121.02967	18.9
133.02977	2.1
143.05022	2.3
155.04987	3.8
157.02983	1.9
167.05051	2.2
169.02837	1.7
171.04558	5.4
173.06076	3.9
182.03735	7.7
183.04523	37.9
184.04985	3.0
195.04549	2.5
196.05287	1.5
199.04010	3.1
199.07564	2.4
211.04068	7.3
212.04752	2.2
213.05594	2.9
225.05637	4.9
226.02707	3.8
227.03497	17.9
239.03485	3.8
240.04129	2.4
253.01443	24.8
254.01883	4.4
255.03003	56.3
256.03333	6.4
259.07599	2.0
267.03064	3.7
268.03745	13.1
269.04575	5.4
269.09854	2.1
272.08459	1.9
273.09207	5.8
289.08759	2.0
297.09320	4.6
299.10599	4.6
301.08627	3.6
313.08490	2.7
315.04922	2.3
315.10272	13.3
317.08188	5.7
325.08783	7.4
331.09741	2.7
341.08142	15.9
342.08694	3.1
343.09747	41.2
344.10129	5.2
345.07687	16.0
346.08472	71.4
347.08862	7.8
359.09335	10.9
369.07724	23.6
370.08151	3.5
375.12363	3.4
387.08716	40.3
388.09171	5.3
401.10297	5.6
418.33249	2.9
419.11386	100.0
420.07034	3.0
420.11731	13.8
420.27664	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	419.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73082	1.2
59.01385	100.0
61.98847	1.8
62.96409	2.8
65.77892	1.0
66.17941	1.2
69.28316	5.1
71.01376	2.0
76.79276	1.2
78.95912	2.6
85.02943	1.4
88.98827	8.1
93.03466	1.5
105.07056	1.2
119.05044	34.2
120.05327	1.3
123.04482	1.2
125.00108	43.5
135.04517	4.0
145.02933	1.3
149.06071	3.1
151.07614	1.5
160.73625	1.1
175.07512	1.5
193.08629	2.3
199.93375	1.0
215.03603	1.3
237.07651	4.7
295.09830	1.3
339.12305	2.0
345.09351	2.7
357.13361	2.3
359.11066	2.7
370.17978	1.2
391.17697	1.1
401.12479	1.8
419.14133	6.0
434.81946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01382	5.7
68.40560	0.5
68.99818	1.4
69.03456	1.8
69.53211	0.9
69.53606	1.0
71.01385	1.8
72.99299	1.4
73.02933	0.5
83.01410	0.6
85.02950	1.3
93.03471	4.1
95.01416	1.1
95.05002	0.6
97.06600	2.0
98.22705	0.5
98.46488	0.4
99.04521	1.5
101.02472	0.5
105.07108	2.2
107.05025	1.7
108.02185	0.7
109.02956	1.4
109.06605	1.4
113.02483	0.9
115.04047	0.9
116.06004	0.5
117.03473	2.1
119.05036	100.0
119.45844	0.5
120.05335	3.8
121.02983	1.5
121.06622	1.7
123.04561	1.3
123.08134	1.2
125.06099	0.9
127.00404	0.5
133.01788	0.6
134.03769	1.7
135.04518	2.7
137.02454	1.8
137.06041	1.0
137.09657	0.6
139.00372	0.7
140.01195	0.5
143.05034	0.9
145.02942	4.3
147.08168	0.8
148.03979	0.7
149.06100	10.7
149.09744	2.9
151.04005	1.4
151.07677	3.9
153.05582	1.0
161.02516	0.6
161.06087	9.9
163.07677	0.7
164.04840	0.7
165.05646	0.9
165.09265	1.2
167.07140	3.7
173.06078	0.8
175.04172	0.5
175.07626	1.6
176.03575	0.6
177.09219	1.5
187.04001	1.7
187.07733	0.7
191.07120	1.4
193.05128	1.3
193.08723	6.5
195.06680	1.5
203.07147	0.6
209.08202	1.2
211.09836	2.3
212.04730	1.1
213.05521	0.8
213.07565	0.7
215.11861	0.8
219.06613	1.3
229.10954	0.9
237.07697	13.2
238.08049	1.3
238.32967	0.5
251.10905	0.7
255.08743	2.8
255.11162	0.6
257.04623	3.5
281.09351	1.2
295.09763	2.4
295.13266	1.3
310.75830	0.6
311.12918	0.8
331.15503	2.2
339.12482	4.8
340.12662	0.6
357.13501	6.3
358.13974	0.6
375.14844	3.6
377.17599	0.7
401.12540	5.1
419.14096	9.5
420.13647	1.1
441.26382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96752	0.6
59.01385	100.0
60.01711	0.9
60.94183	0.5
64.58567	0.6
68.78273	0.6
69.29922	2.8
71.01392	2.0
85.02995	0.7
93.03489	1.0
98.22633	1.1
101.02480	0.9
107.98067	0.5
117.03516	1.2
119.05038	13.9
119.05820	1.0
121.06692	0.5
135.04520	1.4
138.30690	0.5
146.18912	0.6
149.06140	1.1
167.07014	0.8
173.02484	1.4
175.07910	0.6
193.08817	0.9
201.01932	3.2
215.16606	1.7
229.01547	1.7
237.07713	1.1
257.01047	4.6
257.04556	0.8
299.02136	1.6
339.12469	1.0
357.13525	1.4
377.21970	1.4
419.03931	10.6
419.13449	1.1
419.22769	3.6
420.04382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52766	54.5
59.01383	91.5
61.98863	73.8
66.00750	57.5
70.41570	100.0
108.71877	66.0
119.04973	70.0
129.32512	59.5
134.04732	57.0
179.56480	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2443
Annotation	Briarellin D
Peak:m/z	Relative Intensity
51.65733	0.2
57.02560	0.3
59.01382	0.7
64.12470	0.3
64.33004	0.2
70.96545	0.3
71.01377	1.7
73.02946	1.8
77.04555	0.2
85.02958	0.3
87.04523	100.0
88.04858	2.0
101.06097	1.5
113.06094	1.0
115.07643	1.5
121.03014	0.7
143.07097	0.4
163.71613	0.3
199.52998	0.3
205.12407	0.4
205.72914	0.3
233.88441	0.3
266.51495	0.3
287.20215	0.4
291.64996	0.3
331.19208	0.4
349.20163	1.3
419.24191	3.6
420.24365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2807
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
55.01877	1.4
57.03447	1.1
59.01379	0.6
59.98516	0.6
61.98815	0.6
69.03450	2.0
69.90767	1.8
71.05023	8.3
72.05332	0.6
81.03462	46.7
82.03789	1.0
83.05055	1.1
84.02178	8.8
85.98249	0.5
95.92156	0.5
96.01112	0.5
97.02975	1.7
98.03732	1.7
99.04527	32.0
100.04875	0.9
104.48888	0.5
135.11847	0.6
152.11703	0.5
198.83365	0.5
257.22794	2.0
289.44302	0.5
309.25940	1.0
319.22736	3.4
321.25824	1.6
322.87817	0.5
328.27252	0.6
357.28052	0.7
360.58713	0.5
401.26971	0.8
419.28061	100.0
420.28381	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	419.2805
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
54.54411	2.5
55.41774	2.9
59.01359	3.2
65.85534	2.5
66.15617	2.8
71.05022	8.0
71.43275	3.6
81.03463	35.3
84.02174	8.5
87.04533	7.0
98.03744	4.3
99.04527	32.8
119.05076	2.6
164.83638	4.1
227.44751	2.7
231.19775	2.4
251.50310	2.6
301.16193	2.5
319.22760	4.1
324.60254	2.9
419.22168	4.6
419.28094	100.0
420.28299	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	420.073
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01929	0.8
65.00329	2.3
65.99844	7.7
68.99831	1.1
69.33997	3.7
83.01408	0.8
88.01888	0.7
88.27275	0.7
96.00941	0.9
98.21873	1.4
104.05098	0.8
106.02993	1.1
108.00895	1.5
111.00897	8.6
122.02496	0.8
123.00892	0.9
134.02463	0.8
136.00410	4.0
139.00388	25.2
139.31671	0.8
148.04094	3.0
150.01991	6.3
151.00371	2.5
162.01959	1.6
163.99937	5.3
166.01459	2.4
167.05222	0.8
169.06477	1.0
171.04561	3.4
172.04108	1.4
174.01970	1.3
175.99893	5.4
192.03012	2.3
202.01505	1.1
208.07703	0.9
216.03046	1.6
220.02541	1.5
226.05223	0.9
236.07124	0.9
238.05148	1.2
240.06667	1.7
242.08304	0.8
244.02574	1.2
248.01981	1.4
255.06520	0.9
255.99130	0.8
268.06210	7.0
268.09760	2.1
278.08255	1.2
280.06158	12.6
281.06674	1.5
283.98380	3.1
288.01553	0.9
288.06851	1.4
296.09311	12.9
297.09579	1.1
301.99393	1.1
316.00995	2.3
316.06262	1.0
320.09308	2.0
335.09360	1.0
344.05594	0.9
346.03595	3.5
364.08276	5.7
365.08612	0.8
378.13321	0.7
388.04639	5.1
392.07571	3.9
420.07266	100.0
421.07608	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	420.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	9.7
59.01379	5.8
61.98848	4.3
70.93151	3.0
74.02479	18.8
78.95930	3.3
86.02483	8.6
87.05635	6.7
89.26114	2.0
99.05652	15.6
101.07211	4.2
110.98589	2.0
112.04083	2.5
124.04137	2.0
125.03580	3.5
127.05166	3.6
128.03552	45.3
129.03809	5.7
135.05663	4.6
141.06729	5.0
143.04643	60.9
145.06215	5.5
146.04605	5.1
153.06659	4.3
160.00749	13.5
163.08908	2.5
166.09808	2.4
167.04710	4.1
167.08241	3.2
177.03409	6.9
179.04654	13.0
185.05568	2.7
197.05766	3.3
206.98007	2.0
210.08795	10.9
254.07823	22.7
272.08844	26.6
288.06546	12.0
306.07672	100.0
307.07950	6.2
313.15833	2.6
332.81030	2.3
410.26230	2.3
420.14301	2.9
421.16931	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	421.1143
Annotation	Fortuneanoside K
Peak:m/z	Relative Intensity
55.01881	1.0
59.01389	4.8
65.00318	0.8
67.01880	1.8
68.99838	1.3
71.01383	16.8
71.41348	0.8
73.02944	4.7
79.08146	0.7
81.03455	3.6
83.01389	3.0
85.02953	8.7
87.00882	1.3
91.01901	2.1
93.03442	1.0
95.01386	4.5
96.11434	0.7
96.99366	0.8
97.02963	1.0
99.00884	1.9
100.76019	0.9
101.02460	8.9
107.01398	8.6
108.02181	95.2
109.02970	74.2
110.03328	2.6
111.00888	2.7
113.02448	5.7
122.03741	2.2
123.00897	5.8
123.04531	19.0
124.01669	27.9
125.02431	2.9
136.01727	0.8
137.02429	1.6
139.00305	0.9
151.00389	9.0
151.04001	2.3
152.01163	18.3
153.01964	18.0
154.02173	0.7
161.04538	2.3
163.04004	1.1
166.02693	3.4
167.03503	52.5
168.03877	1.8
179.03569	0.9
181.05070	1.9
195.02992	1.6
217.05077	53.7
218.05367	4.0
251.05606	1.4
281.06723	3.3
296.05316	4.5
297.06171	8.7
311.07736	67.8
312.08176	4.2
361.09344	1.0
379.10358	0.8
406.08969	1.7
409.47235	0.8
421.11401	100.0
422.11777	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	421.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84151	1.0
51.63146	1.2
65.00346	1.8
65.99847	1.9
68.99833	1.6
69.06458	3.6
69.06866	4.3
78.01121	8.3
83.01399	2.7
91.01894	1.1
92.02709	1.3
93.03484	2.4
108.02226	1.4
110.00123	3.8
119.05054	2.1
130.04250	3.4
131.05049	3.1
136.01668	4.9
137.99597	2.2
143.05064	2.4
149.02483	2.3
149.99625	3.7
151.00404	3.5
155.05046	2.3
157.06621	2.9
158.03624	1.4
159.04530	6.6
164.01180	3.9
169.06552	2.0
171.04491	2.8
173.06125	4.6
174.02000	1.7
175.99944	1.2
183.04536	11.8
184.01959	1.0
185.06169	5.5
186.01981	1.7
190.01546	1.3
190.99950	2.0
192.00676	2.8
192.40787	1.1
197.06105	5.4
198.06792	3.3
203.00061	1.5
210.06938	1.3
211.07747	1.4
212.04810	3.6
213.05602	3.8
214.01450	3.4
214.06377	2.5
217.05164	2.8
225.05603	2.3
226.06386	1.6
227.07135	1.8
228.04089	1.3
229.05138	3.0
230.00993	2.0
241.05099	9.6
242.01009	2.6
242.05841	14.8
254.05844	3.3
255.03101	6.4
255.06577	11.0
257.04639	13.9
258.00522	6.3
268.07468	1.6
269.04419	1.5
270.05356	10.1
271.05917	2.4
276.06888	1.2
280.06238	2.5
282.05215	1.4
283.02869	1.1
283.05954	5.3
285.04102	9.0
299.10791	1.5
319.09692	2.1
320.05780	1.9
333.11276	1.3
334.07266	1.5
343.09619	5.9
346.07285	5.5
361.10809	40.3
362.06750	10.9
362.11142	3.5
371.09247	5.9
372.09775	1.6
389.10336	100.0
390.06052	6.4
390.10757	13.5
421.08075	2.0
421.12964	55.5
422.08881	29.2
422.13495	5.6
441.53925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1297
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
50.70947	1.1
56.49809	1.2
59.72525	1.1
64.77158	1.1
65.00323	4.0
71.43700	1.5
71.75829	1.0
74.46736	1.0
87.04532	1.3
91.01891	2.7
95.01424	1.1
96.95969	1.5
113.30154	1.0
117.03484	23.1
135.00899	10.1
136.98805	2.6
143.05048	1.6
159.04549	3.5
163.00397	23.8
164.98279	7.6
167.05110	1.3
183.04535	12.7
185.02466	2.4
186.16995	1.3
187.03911	1.4
195.04427	1.1
211.04042	4.2
227.03513	9.7
255.03003	27.0
256.03394	2.2
283.02505	70.9
284.02957	8.5
335.36417	1.1
379.04379	1.3
389.75470	1.2
421.12961	100.0
422.13266	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	421.1557
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
59.99347	26.3
62.10158	28.2
66.49126	29.3
67.21902	25.3
69.88254	55.8
69.88619	57.6
75.43265	27.8
81.05889	28.6
104.21545	30.0
122.79961	28.6
137.40140	25.5
187.91455	29.4
191.09903	26.3
242.00052	33.3
282.46896	27.9
286.43759	31.6
339.51907	29.7
421.10544	39.0
421.15692	100.0
422.13846	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09127	7.9
57.85060	7.7
59.01381	44.7
66.66473	7.5
70.47590	14.8
71.01380	10.9
75.76261	7.0
85.02941	12.0
96.95816	7.2
107.34590	6.9
109.93806	7.2
113.02486	8.3
115.92079	12.8
116.92878	100.0
119.05016	15.8
212.27246	8.2
234.34351	7.3
276.67978	7.9
377.18149	28.6
421.16309	92.1
422.16827	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	421.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.7
58.02983	1.2
59.01382	11.8
70.02702	0.9
70.02991	10.6
71.01388	4.4
71.05023	14.2
73.02943	3.9
79.95728	1.5
82.02997	2.7
83.01373	2.2
85.02946	3.1
87.00893	1.5
87.05628	5.7
89.02433	1.8
93.03428	1.6
95.01399	10.5
95.05019	1.7
96.96013	3.0
97.01694	1.5
97.02951	5.0
98.02465	1.2
98.22659	4.8
99.04516	7.8
100.04043	2.0
101.02437	5.5
108.02297	1.1
109.02930	3.1
110.02499	1.3
111.00890	2.1
111.04492	1.4
113.02454	2.8
115.05154	2.1
116.07192	2.0
119.05025	2.4
121.02934	1.8
123.00873	4.9
123.04552	6.6
124.01673	2.9
125.02465	15.7
126.05543	1.2
127.00381	1.4
128.03546	4.2
129.05589	2.7
130.03323	8.9
137.02429	2.3
137.78867	1.1
138.01973	2.0
139.03993	1.6
145.73058	1.4
146.08241	75.5
147.05966	3.2
147.08437	2.0
148.32327	1.3
151.04016	2.7
156.03059	1.7
165.01820	1.2
165.05554	5.4
166.05925	2.1
167.03441	2.1
168.06650	3.6
194.04590	3.7
197.04506	1.9
211.07292	8.5
217.04997	2.4
217.11940	19.1
228.05217	2.4
229.08566	1.3
230.76836	1.1
239.05757	1.7
255.06316	1.8
275.07703	6.2
277.12274	100.0
278.12537	4.9
403.10187	1.7
421.11328	6.0
421.16391	1.6
422.10605	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	421.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68983	7.4
59.01371	13.5
61.76069	5.4
61.98824	21.6
64.14949	6.0
64.47947	6.1
68.49174	7.2
69.03466	16.0
73.98323	15.9
74.99103	59.7
81.03479	6.9
83.05033	100.0
84.02203	14.3
85.02958	8.1
89.00700	10.6
97.02964	20.5
109.06596	22.9
113.00697	37.6
123.04551	55.5
131.01741	9.4
139.02251	90.9
165.03822	18.2
166.85530	6.5
169.48395	6.4
183.94827	6.2
188.48785	7.2
201.10864	7.3
230.31746	7.5
263.07568	12.7
289.14569	82.3
290.14844	11.9
331.13867	11.2
351.16129	16.4
359.13260	43.6
361.29660	6.8
369.17007	44.8
370.17297	8.0
377.14264	27.3
379.66629	7.3
385.14844	11.8
387.18115	10.4
399.43140	7.2
410.56464	6.8
425.45944	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	421.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03453	0.6
59.01384	95.3
60.01714	1.1
69.03448	1.0
69.40524	3.2
71.01389	34.9
71.84361	0.6
72.99344	0.8
73.02953	37.6
75.00893	1.0
75.57846	0.7
79.55086	0.6
81.03456	0.9
83.01389	2.8
85.02952	6.7
87.00884	1.1
89.02453	33.9
94.81074	0.7
95.01390	2.1
95.46272	0.6
97.02972	1.6
99.00891	100.0
100.01238	2.2
101.02459	19.9
113.01711	1.3
113.02459	16.3
119.03529	4.4
119.05031	0.9
125.02496	3.4
125.51443	0.7
131.03520	9.8
138.79420	0.6
143.03506	3.7
149.04570	24.3
150.04868	0.9
155.03528	3.4
161.04585	8.7
179.05585	1.4
191.05640	36.2
192.05896	1.6
203.05652	13.1
204.05917	0.8
218.89040	0.6
221.06650	0.8
221.65005	0.6
233.06790	3.0
247.11812	1.4
258.94571	0.7
379.11942	0.8
379.16119	11.6
398.82397	0.6
421.11926	0.9
421.17160	15.8
422.17139	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
59.01384	100.0
69.52948	1.5
69.53358	2.9
71.01388	30.1
73.02953	27.4
75.00895	1.1
83.01400	4.4
85.02956	6.5
85.11526	0.7
87.00871	1.5
89.02450	30.6
94.25620	0.9
95.01390	2.4
99.00889	48.9
101.02448	21.9
102.06544	0.8
109.02994	0.9
113.02457	14.9
119.03523	7.8
119.05009	6.6
120.05362	2.2
125.02441	3.5
131.02673	0.8
131.03484	5.0
143.03500	1.5
145.57426	0.8
149.04556	11.8
155.03477	1.5
161.04581	6.8
165.25246	0.8
174.32664	0.8
179.05666	2.4
191.05632	17.3
203.05663	5.4
233.06767	1.3
247.11903	2.0
262.90894	1.0
289.12952	1.1
379.16086	18.7
380.16620	1.7
421.17270	19.1
422.17389	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03458	1.4
59.01384	92.1
60.01730	0.7
65.00327	4.0
69.03468	1.6
71.01389	32.4
71.45802	0.9
72.99323	2.5
73.02952	32.2
79.95743	7.0
81.03469	0.7
83.01405	2.9
85.02966	6.2
87.00858	0.9
89.02451	37.3
95.01392	2.1
96.96033	1.8
97.02990	1.4
99.00889	100.0
100.01244	1.4
101.02448	19.0
101.03113	1.1
104.34422	0.7
108.49713	0.7
111.00919	0.7
113.01713	1.4
113.02463	16.3
119.03516	6.3
123.04474	1.0
125.02447	3.9
131.03519	9.1
139.00279	0.8
143.03514	3.0
145.01479	1.2
145.02930	2.4
149.04573	20.6
155.03580	3.4
161.04558	9.1
162.04820	0.8
169.06633	0.8
179.05577	1.1
181.99536	1.0
183.68608	0.7
191.05632	31.0
197.06094	9.2
198.40706	0.8
201.09341	1.0
203.05608	9.4
207.46651	0.7
209.85742	0.7
213.05507	1.1
221.97374	4.5
222.47357	0.9
233.06665	2.8
241.05138	6.0
255.06212	0.7
284.03210	3.1
285.04047	1.3
341.03238	0.8
377.15887	0.8
379.16174	11.1
380.16019	1.4
402.03714	0.7
421.17331	12.0
422.17245	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.4
57.03453	6.8
58.00586	1.4
58.02961	1.0
59.01385	95.6
60.01691	0.9
61.98831	0.8
69.03451	2.5
71.01390	100.0
72.01709	1.2
72.99307	3.0
73.02956	29.9
73.03368	1.5
81.03448	2.2
83.01397	14.3
85.02959	38.2
87.00906	5.0
89.02452	51.1
90.02789	0.9
93.03442	1.4
95.01387	6.2
97.02976	6.1
99.00897	9.7
101.02453	66.9
102.02806	1.4
111.00894	8.1
113.02467	30.5
114.02780	1.0
115.04005	1.8
117.03455	2.3
119.03493	2.9
119.05063	3.8
125.02462	10.1
127.11312	1.9
129.01971	1.6
129.10318	0.8
131.03520	28.8
133.02994	0.9
143.03505	5.4
148.04839	1.2
149.04562	14.8
159.02998	6.2
161.04572	30.0
162.04840	0.9
164.07231	1.5
165.07552	2.1
167.24359	0.9
168.11511	1.3
186.12459	2.4
187.12965	1.0
191.05630	3.0
210.12556	1.3
211.13098	1.1
215.05569	1.1
233.06702	7.6
252.83318	0.9
271.15536	1.2
289.16586	42.6
290.16916	3.2
291.02408	1.7
291.52655	1.4
293.08832	2.0
376.18857	1.3
377.19110	9.5
378.19290	1.1
403.26648	0.9
421.20816	43.2
422.21417	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	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15527	0.7
55.01878	7.8
57.03444	5.2
59.01384	47.7
62.64030	0.7
69.03450	2.2
69.58843	1.6
69.59222	1.8
71.01386	100.0
71.05023	1.8
72.01720	1.9
72.99294	2.1
73.02951	43.4
74.03297	0.9
75.00887	2.5
81.03448	1.6
83.01396	15.1
84.02219	0.8
85.02954	45.0
86.00108	0.9
86.03325	1.2
87.00880	4.8
89.02452	27.7
95.01387	8.1
97.02954	6.4
99.00888	17.6
99.04541	1.1
101.02448	62.7
102.02793	1.9
111.00928	1.2
112.70632	0.7
113.02455	37.6
114.02853	0.9
115.04021	3.2
119.03528	2.4
119.44994	0.7
125.02464	9.1
127.11325	2.2
129.01965	2.0
131.03506	6.0
143.03517	5.9
149.04510	3.8
155.13000	0.8
159.02994	9.2
161.04572	47.0
162.04924	1.2
191.05661	2.0
233.06677	9.4
289.16574	57.2
290.16931	5.2
293.08942	3.6
392.87442	0.8
421.20828	68.1
422.21054	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	421.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21373	1.1
59.01386	100.0
69.45935	5.3
87.00922	1.7
96.96004	1.6
103.01507	90.1
116.92877	6.5
122.41295	1.1
125.87360	2.2
126.88167	1.5
127.87048	4.4
141.88571	1.8
199.41789	1.1
225.11404	1.2
265.14728	2.2
295.22916	3.8
317.20831	1.5
377.21863	1.5
421.22537	2.3
422.08881	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62485	3.7
69.62831	11.1
97.31311	2.6
133.58388	2.6
163.11308	100.0
164.11613	8.8
169.08936	3.6
181.73819	3.0
183.01221	17.1
191.05127	3.1
337.20627	3.9
339.19855	31.3
339.23300	59.3
340.23703	6.1
384.00037	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	422.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89090	3.3
59.01385	21.3
61.98838	100.0
71.01398	7.5
73.02951	4.6
96.31583	3.4
101.02449	6.1
102.05627	3.3
113.14355	2.9
127.05139	3.3
128.03558	10.3
129.04204	5.0
150.05641	3.3
287.10449	3.8
329.11307	5.8
373.10367	4.0
422.19955	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	422.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20749	0.8
59.01378	0.7
61.98842	1.9
69.75761	0.6
69.76103	2.1
72.99330	1.2
79.27619	0.7
81.03479	1.8
84.93867	3.9
97.02942	1.4
97.06599	0.8
98.21931	1.3
99.91908	0.8
99.92076	0.5
99.92594	31.4
100.07679	2.2
100.93374	54.7
101.93393	3.3
109.93398	1.8
115.92091	100.0
116.92116	5.1
116.92883	25.3
116.93728	1.3
117.92870	1.2
117.93649	1.1
125.92908	2.6
126.09285	6.7
127.94473	1.3
128.07239	0.8
129.05609	2.2
130.08723	3.3
132.92384	0.9
141.38023	0.7
142.93130	0.8
149.09802	0.8
156.92325	2.2
163.11313	1.8
165.12859	1.7
171.10184	0.8
184.00745	0.7
184.99149	2.1
186.43585	0.7
191.10814	1.6
193.08542	1.8
195.31073	0.7
201.13747	0.7
212.00279	3.0
212.98660	7.8
213.00520	1.1
216.98141	5.1
254.01202	1.2
274.05487	0.8
276.19574	1.8
289.40021	0.8
297.75214	0.7
316.23865	0.7
320.06012	1.1
320.18741	3.1
322.20309	0.9
324.05637	0.9
332.06149	1.5
335.04724	1.5
336.05484	1.4
341.18729	0.7
341.23337	2.4
368.09583	0.9
374.10690	1.7
376.12158	4.5
378.13312	0.8
386.10693	1.2
404.11636	6.9
405.12073	1.7
422.12814	48.8
423.13077	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	423.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57688	0.4
64.73373	0.4
69.89431	1.0
101.38275	0.4
111.43046	0.4
125.05637	0.5
132.02144	1.0
133.02965	15.1
134.03665	0.6
153.01947	1.4
165.01851	0.5
177.01970	1.0
178.99892	1.9
179.40958	0.4
195.04623	0.4
198.03334	1.0
211.04007	0.5
214.02782	1.0
226.02783	0.9
237.01842	0.9
239.03566	1.1
242.02234	7.8
243.02591	0.7
251.03647	1.0
253.01369	0.6
254.02307	2.8
267.03079	0.6
269.04556	0.5
270.01746	3.7
279.02921	1.0
281.00934	2.6
282.01633	2.5
283.02325	0.6
284.03391	0.8
285.04016	6.9
295.02484	1.2
296.03290	1.5
298.01236	1.0
299.05740	0.6
310.04858	2.1
311.05511	0.8
313.03564	49.4
314.03903	3.8
327.05286	0.8
328.05875	14.0
329.06384	0.8
343.08237	100.0
344.08536	9.8
402.17606	0.5
423.03912	7.0
424.04175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0393
Annotation	Mikanin 3-O-sulfate
Peak:m/z	Relative Intensity
64.57688	0.4
64.73373	0.4
69.89431	1.0
101.38275	0.4
111.43046	0.4
125.05637	0.5
132.02144	1.0
133.02965	15.1
134.03665	0.6
153.01947	1.4
165.01851	0.5
177.01970	1.0
178.99892	1.9
179.40958	0.4
195.04623	0.4
198.03334	1.0
211.04007	0.5
214.02782	1.0
226.02783	0.9
237.01842	0.9
239.03566	1.1
242.02234	7.8
243.02591	0.7
251.03647	1.0
253.01369	0.6
254.02307	2.8
267.03079	0.6
269.04556	0.5
270.01746	3.7
279.02921	1.0
281.00934	2.6
282.01633	2.5
283.02325	0.6
284.03391	0.8
285.04016	6.9
295.02484	1.2
296.03290	1.5
298.01236	1.0
299.05740	0.6
310.04858	2.1
311.05511	0.8
313.03564	49.4
314.03903	3.8
327.05286	0.8
328.05875	14.0
329.06384	0.8
343.08237	100.0
344.08536	9.8
402.17606	0.5
423.03912	7.0
424.04175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57710	0.7
55.75704	0.8
57.03447	3.3
59.01083	1.7
59.01383	34.7
69.41837	3.6
69.42171	0.9
71.01388	18.2
72.99313	35.0
73.02953	12.7
75.00874	5.6
80.91670	0.9
83.01407	2.6
85.02956	25.1
87.00851	0.9
89.02441	9.8
93.46754	0.7
95.01383	4.2
99.00890	2.0
101.02452	11.3
103.00376	11.4
105.80672	0.8
113.02461	36.1
114.02844	1.1
131.03513	10.2
131.57588	0.8
133.01450	4.2
144.06346	0.9
157.01434	1.8
160.67050	0.8
161.46413	0.9
163.02509	1.5
175.02568	3.9
189.04030	1.2
193.03545	100.0
194.03877	4.3
207.05115	12.3
229.03276	1.0
289.05582	1.5
303.03333	1.0
309.27258	0.8
363.05222	1.6
423.07584	18.5
424.07983	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	423.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01926	4.6
65.00329	0.6
65.99852	34.9
70.12968	0.6
70.96558	0.8
81.55134	0.5
88.01929	1.8
89.99862	1.7
90.00410	0.5
105.02216	1.1
108.00919	4.2
132.00961	1.4
133.01704	2.5
148.00348	1.3
163.39873	0.5
169.06612	1.3
171.04492	4.2
175.99898	22.4
177.00175	1.3
189.00670	2.2
208.07526	0.7
210.05713	0.8
213.05652	1.3
236.07144	1.0
238.05080	4.1
252.06612	1.4
280.06158	100.0
281.06534	7.3
319.03592	4.3
415.96008	0.6
423.09808	13.3
424.10492	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	423.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
56.20516	0.7
57.03455	1.5
58.00598	1.2
59.01386	89.6
60.01713	0.7
61.98816	1.1
62.25014	0.6
71.01390	54.4
72.01728	0.9
72.99314	8.8
73.02953	3.8
75.00877	1.6
75.70375	0.7
78.95909	1.3
80.91681	1.8
83.01398	2.6
85.02963	10.3
87.00871	3.5
89.02454	65.6
90.02802	1.4
92.81892	0.6
95.01379	4.0
95.83690	0.8
96.61880	0.7
98.21798	1.6
98.99399	2.2
101.02459	24.1
103.00382	2.3
113.00955	0.9
113.02462	28.0
114.02892	0.7
119.02664	1.3
119.03513	21.1
119.93757	0.7
120.50706	0.8
124.55022	0.9
125.00931	1.7
126.09325	0.7
131.03532	5.6
141.00459	8.0
141.01711	3.1
143.03548	5.5
145.06210	2.9
149.04576	2.0
153.00424	2.9
153.01675	1.8
161.04575	7.1
173.10637	0.8
175.02515	1.0
179.05629	30.4
183.01488	2.4
183.02885	1.3
193.03532	16.0
195.01482	5.4
201.02516	1.6
207.05147	3.3
210.02571	0.9
235.73671	0.7
243.03590	15.7
244.03793	1.7
303.02658	1.0
303.05887	1.4
312.71912	0.7
341.10919	100.0
342.11221	9.2
363.08832	5.8
423.07233	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	423.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
59.01387	81.4
60.01705	1.0
61.98838	1.6
67.01902	0.7
68.99805	0.9
69.03468	3.4
71.01390	34.1
73.02969	3.3
75.02397	0.9
78.95900	1.2
81.03493	1.9
81.34498	0.6
82.58775	0.7
83.01404	3.4
85.02963	10.3
86.91862	0.6
87.00903	1.8
89.02448	1.0
89.06092	7.1
95.01407	3.7
96.96025	2.8
97.02943	4.1
99.00876	1.3
99.92586	1.0
101.02452	2.0
104.19213	0.7
112.01662	1.1
113.02463	11.4
115.92105	1.3
116.92875	1.9
117.03462	1.5
119.05046	1.2
121.02973	100.0
122.03271	3.3
124.01705	3.4
125.02457	3.1
135.04456	0.9
141.01927	0.9
143.03526	2.0
145.03008	2.3
161.04626	0.8
165.01938	1.3
167.13142	0.7
181.98248	0.7
185.08218	1.6
197.56868	0.7
209.23232	0.8
222.06264	0.8
233.10339	28.0
234.10796	1.4
237.07770	1.8
291.08887	1.1
381.11908	9.4
405.16751	0.7
423.13016	33.7
423.18533	1.8
424.13290	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	423.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51718	2.6
59.01384	100.0
61.98825	8.0
71.01388	51.4
73.02956	7.0
79.95744	3.9
83.01405	6.0
85.02962	13.2
85.63519	2.8
89.06081	9.5
95.01403	3.8
96.96021	39.3
97.02977	5.7
103.14806	2.9
113.02431	8.8
119.05026	9.2
121.02969	93.7
122.03314	3.1
135.04541	3.1
150.52165	3.0
171.10278	4.9
215.22830	2.9
233.10286	19.2
293.21231	5.7
338.10327	5.4
353.16360	3.4
381.12152	7.4
406.13055	7.7
423.12903	35.2
423.20364	36.4
424.13403	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	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36915	18.6
59.01390	100.0
61.98845	29.9
62.77317	16.8
71.01366	22.9
73.02956	36.0
91.89057	20.8
98.22623	47.8
111.17029	17.3
113.02466	19.5
116.14150	19.3
126.42493	17.8
145.02922	32.5
149.02444	29.1
150.03230	28.4
165.05463	28.0
195.06686	34.8
199.83788	17.9
243.12488	39.9
251.48326	20.1
374.41470	21.0
387.16711	76.8
423.17770	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60109	0.4
55.01892	3.5
57.03456	2.1
59.01386	100.0
60.01719	1.2
66.55715	0.4
69.21063	3.0
71.01391	25.6
72.99329	0.6
73.02953	24.2
83.01400	5.8
85.02959	14.8
86.00111	0.9
87.00893	1.2
89.02454	5.0
95.01399	1.7
97.02981	1.5
99.00893	7.0
101.02453	32.4
102.02808	0.6
102.27505	0.5
111.00893	1.0
112.01707	1.2
113.02464	12.7
118.71509	0.6
125.02492	1.4
129.01947	0.9
131.03519	2.1
143.03529	1.4
159.03015	2.1
160.66985	0.5
161.04567	10.4
181.97318	0.5
183.10291	1.1
208.44006	0.5
231.12422	2.8
249.13454	38.9
250.13882	2.9
253.55421	0.5
291.14600	4.3
328.02402	0.6
363.16849	1.1
381.17679	45.1
382.17981	4.5
419.97821	0.6
423.18732	47.6
424.19003	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	423.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
55.65049	1.2
57.03438	2.0
58.36738	0.9
59.01385	100.0
61.98820	1.1
69.89141	3.8
71.01392	22.7
72.99331	1.3
73.02953	19.5
78.95893	3.7
81.03448	1.6
83.01389	5.3
85.02947	13.8
87.00857	1.3
89.02462	5.3
95.01380	1.4
97.02960	1.9
99.00891	7.5
99.04523	2.5
101.02461	29.0
113.02468	9.9
119.05020	1.5
125.02454	1.9
130.08780	1.8
131.03529	2.0
159.03000	3.3
161.04541	9.2
166.06334	1.2
199.09999	1.1
207.46169	1.0
219.43466	1.4
229.74120	1.2
231.12419	2.9
240.68747	1.1
249.13464	33.9
250.13860	2.1
288.73120	1.3
291.14532	2.8
295.95599	1.2
381.17676	46.1
382.18033	3.1
401.68341	2.3
423.18744	39.9
424.19086	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
57.03436	2.6
58.00595	1.4
59.01387	100.0
60.01699	1.2
63.07281	0.8
69.03447	2.2
69.51953	2.1
69.52344	1.8
71.01390	81.1
72.01702	0.9
72.99303	2.8
73.02958	51.3
75.00883	1.2
81.85509	0.8
83.01390	7.8
85.02959	23.8
86.03275	0.9
87.00897	5.8
89.02456	71.1
90.02808	0.9
95.01412	5.6
97.02951	2.2
98.22674	1.1
99.00897	4.7
101.02456	62.4
102.02749	0.9
109.62031	0.8
111.00869	1.0
113.02467	33.6
113.03262	1.9
114.02761	1.2
116.36743	1.0
119.02657	1.5
119.03520	27.7
125.02455	3.8
125.09747	4.8
131.03503	7.2
143.03508	9.0
149.04546	3.5
159.02959	2.7
161.04576	22.8
164.98337	0.9
169.08722	3.0
179.05638	38.0
180.05894	1.2
181.12347	1.7
199.13426	6.9
206.66841	0.9
221.06677	12.3
225.11279	1.3
243.12375	40.3
243.14891	2.0
244.12657	3.5
261.13440	1.4
267.07251	1.3
298.49292	0.8
423.18759	25.4
424.19019	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	423.2029
Annotation	Scutalbin C
Peak:m/z	Relative Intensity
55.01878	1.4
57.03460	1.2
59.01385	100.0
60.01718	1.4
69.03471	2.8
71.01388	1.8
71.05017	5.2
73.02974	2.1
81.03462	28.3
82.03822	0.8
83.05059	1.0
84.02178	8.3
85.02993	2.4
93.37224	0.8
95.05045	1.8
97.02957	7.1
99.04532	47.2
100.04887	1.1
101.02464	2.0
113.02513	1.3
123.04529	11.1
124.04934	1.0
128.04816	1.7
133.02937	0.8
135.04581	1.2
135.08234	3.2
139.04008	0.8
139.07651	0.7
145.02997	1.1
147.08211	0.7
149.06158	1.3
187.11340	0.9
200.08118	0.7
205.12456	1.8
275.12970	0.8
278.04306	0.7
298.89554	0.7
319.15665	2.4
320.95981	0.8
337.16583	20.9
338.17206	2.1
345.17130	5.1
355.64908	0.8
363.18146	9.4
364.18747	0.9
379.17633	4.2
381.19110	3.7
393.19504	1.8
423.15601	1.1
423.20496	10.0
424.20703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06641	0.5
50.30849	0.6
51.35860	0.5
55.01886	7.6
57.03455	7.0
58.00601	1.2
58.78571	0.5
59.01384	100.0
60.01731	0.8
65.21590	0.5
68.16331	0.4
69.03458	2.4
69.11800	2.1
69.12204	1.2
71.01389	88.3
72.01735	1.4
72.99319	2.7
73.02950	29.7
75.00888	1.6
81.03497	0.7
83.01397	17.2
84.02199	0.7
85.02957	37.9
86.00092	1.4
86.03295	1.0
87.00890	3.8
89.02453	37.4
89.84724	0.6
90.02798	0.7
95.01397	4.5
97.02957	4.5
99.00895	8.7
101.02451	69.8
102.02795	1.1
111.00890	7.4
113.02457	24.2
115.04018	2.1
119.03500	1.3
119.05057	0.9
125.02471	4.2
127.04009	0.8
129.01978	2.0
129.12871	0.8
131.03517	26.4
143.03508	3.3
149.04585	8.4
159.02988	2.9
161.04576	22.7
161.05627	0.4
162.04800	0.9
191.05724	1.2
198.99054	0.6
215.05617	1.0
218.23798	0.6
233.06671	3.8
237.61250	0.6
257.16507	0.5
273.17142	0.9
275.89664	0.6
291.18164	66.0
292.18448	5.2
361.72842	0.6
423.22400	49.8
424.22687	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.1
57.03452	5.7
59.01384	47.7
60.01696	0.7
69.03457	1.7
69.52747	2.1
71.01387	65.5
72.01727	1.2
72.99306	1.6
73.02951	34.1
73.03369	1.6
74.03275	1.1
75.00873	1.7
80.50829	0.7
83.00930	1.1
83.01399	14.7
84.01723	1.0
85.02957	35.1
85.03477	1.7
86.00092	1.4
86.03298	1.0
87.00875	3.3
89.01939	1.3
89.02454	15.7
89.05899	0.7
89.36469	0.8
95.01427	5.3
97.02967	3.3
99.00878	12.7
101.02448	66.4
102.02787	1.3
109.02958	0.8
111.00871	2.5
113.02459	26.8
114.02740	1.3
115.03999	2.3
119.03521	0.7
119.05052	2.2
125.02459	3.7
127.11286	0.8
128.88152	0.7
129.01917	1.9
129.12875	1.1
131.03519	3.4
138.89320	0.6
141.96910	0.6
143.03520	3.9
149.04547	2.0
159.03012	6.0
160.39859	0.8
161.04570	29.9
162.04999	1.6
166.12819	0.7
199.82231	0.7
233.06592	2.3
286.07285	0.7
287.07468	1.6
291.18155	100.0
292.18518	6.7
378.37671	0.7
398.98151	0.8
423.22382	80.7
424.22784	9.2
424.28510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.4
61.98833	2.6
69.03453	3.7
69.30885	2.9
69.31291	4.7
83.05024	1.9
84.02177	6.0
88.44917	1.3
95.05041	5.9
96.96012	1.6
97.02954	8.7
97.06604	22.5
99.92602	7.5
114.51758	1.2
115.92080	2.8
116.92865	3.3
117.03452	1.3
119.05041	1.5
125.09729	2.8
137.09709	1.6
145.02982	2.2
159.99448	1.2
165.12904	2.8
171.10262	17.1
189.05394	2.5
193.06787	1.9
193.08498	16.0
193.10197	1.7
193.10533	1.6
193.12329	18.5
194.12721	1.6
211.13484	2.7
215.10553	11.4
225.14978	22.1
226.15260	2.5
232.10823	12.3
233.11545	7.3
243.15971	6.5
247.13124	6.6
251.11298	2.9
253.14435	1.6
264.09827	27.2
265.14200	5.4
279.11978	4.1
291.19650	1.6
309.13266	1.8
331.17725	2.1
341.23340	100.0
342.23679	8.4
345.20578	3.1
363.20776	20.0
364.20334	3.2
418.57578	1.6
423.23660	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	423.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11573	6.8
67.97175	6.2
69.40308	20.9
96.96022	23.6
97.93133	9.0
119.37734	6.1
148.18486	5.8
162.00769	6.3
180.39063	5.5
183.01270	9.6
193.53745	5.6
197.02821	22.8
295.29776	6.4
311.16827	55.0
325.18481	100.0
326.18878	10.5
339.19986	21.2
339.96237	5.6
393.89386	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	424.068
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01930	1.7
65.00340	2.3
65.99854	6.2
68.99824	1.3
69.76511	4.2
73.32805	1.4
89.00341	1.2
108.00977	1.6
116.01450	1.9
116.99859	1.6
120.00912	2.6
120.99329	12.4
132.00923	1.7
136.98833	1.6
139.05522	1.6
144.00905	4.6
144.99376	4.4
148.00429	43.1
149.00717	1.7
150.02003	3.0
156.00952	3.0
160.98756	2.5
161.02478	2.7
170.98888	1.4
171.04578	3.7
172.00421	18.0
173.00829	2.5
174.01991	2.6
175.99904	39.6
177.00291	2.3
188.98256	3.4
193.06664	1.8
199.99954	16.2
221.06180	1.9
232.07599	1.5
237.05566	2.2
238.04961	2.0
239.03523	4.2
239.07059	1.3
243.98895	14.9
248.07277	2.1
249.05634	4.0
251.03304	1.5
262.05084	2.2
264.06580	2.4
265.05032	4.6
267.03107	7.8
276.06625	5.6
280.06134	17.3
281.06482	2.8
285.03848	1.4
293.04572	4.4
304.06171	5.9
306.04193	2.4
320.05875	2.2
321.04294	1.6
339.05103	4.6
348.05154	100.0
349.05539	10.9
366.06143	7.1
380.07867	1.7
392.04156	65.6
393.04480	8.5
406.05710	2.8
410.05112	22.6
411.05316	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	424.2498
Annotation	Lythranidine
Peak:m/z	Relative Intensity
55.06480	0.8
71.35438	1.4
81.39229	0.8
86.02486	57.2
86.52428	0.9
93.78207	0.8
96.96017	1.0
99.92619	3.0
123.25005	0.9
124.98824	0.9
147.08156	2.2
149.09683	2.3
155.69255	0.9
163.11278	5.6
187.11273	3.5
203.10770	0.9
250.89804	1.0
279.14093	1.6
280.14606	1.4
309.22159	3.1
311.16788	1.2
312.17252	1.3
322.19492	1.5
326.18869	3.1
337.21750	100.0
338.22083	12.1
361.14447	1.2
424.24973	61.4
425.11096	2.7
425.25281	8.5
440.68491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0185
Annotation	Axillarin 7-sulfate
Peak:m/z	Relative Intensity
59.01385	1.6
65.52075	0.6
67.01896	0.6
69.43330	1.2
69.43739	1.8
69.86060	0.6
71.01395	0.9
79.95745	0.9
80.96537	1.1
81.01961	0.5
83.05027	0.7
84.35487	0.6
85.02959	1.6
87.00874	0.8
93.03444	0.8
95.01388	1.3
96.96030	2.8
97.02970	1.2
100.00407	0.9
102.98635	0.8
110.00108	1.0
113.02497	0.8
114.58383	0.5
115.04042	0.7
120.99644	3.0
121.02998	4.4
121.06587	0.8
122.06217	0.5
123.00893	3.4
125.02477	1.4
133.06659	0.6
135.04630	0.6
136.98804	0.8
137.02504	0.6
137.06184	0.7
139.00352	4.9
144.03082	0.8
147.00893	2.5
148.01686	1.8
149.01263	1.3
149.02454	24.3
150.03268	7.9
153.01959	6.1
154.02728	5.2
161.23361	0.5
164.98325	5.0
165.01991	0.6
165.99095	0.9
166.79991	0.7
169.05080	4.8
175.00362	0.8
176.01161	15.4
177.01669	0.9
178.99895	1.1
180.00691	2.9
181.01527	0.6
190.99843	1.1
194.02203	0.8
195.02954	1.2
206.02258	0.9
209.04573	0.7
209.40204	0.6
215.07217	0.6
233.00879	0.6
243.03023	0.9
287.01959	2.4
293.08276	1.1
299.02359	0.6
301.03442	1.1
313.00018	3.4
314.97836	1.1
315.01505	17.7
316.02072	1.6
327.01532	1.0
328.02298	2.9
329.02847	0.9
330.03827	36.3
331.04242	3.3
343.04654	15.4
344.05093	1.1
345.06177	100.0
346.06494	9.6
363.14725	0.7
384.73029	0.6
394.50305	0.6
425.01816	6.7
425.10129	1.5
425.14566	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	425.0187
Annotation	Axillarin 7-sulfate
Peak:m/z	Relative Intensity
65.00323	0.5
80.96525	0.7
86.02503	0.5
94.42418	0.4
95.01409	0.6
98.21906	1.3
106.82661	0.5
110.00093	0.9
111.00890	0.6
121.02951	3.3
123.00939	3.6
125.02452	0.5
136.98843	0.9
137.99582	1.0
139.00391	5.3
147.00871	2.9
148.01672	1.9
149.02452	24.3
150.03246	8.6
153.01942	7.1
154.02742	4.9
164.98296	5.9
165.99019	1.0
166.42842	0.5
169.05048	5.1
175.00407	0.8
176.01152	15.0
177.01624	1.0
180.00641	3.1
181.01585	0.5
190.99857	0.8
195.02957	1.5
201.01939	0.5
206.02174	0.6
213.02095	0.7
217.01427	0.7
243.03062	1.1
252.14777	0.5
269.00894	0.8
271.02649	1.1
285.00546	0.6
287.02020	2.5
297.00446	0.6
309.14490	0.6
312.02808	1.2
313.00003	4.4
315.01505	16.8
316.01776	2.1
327.01685	0.6
328.02328	2.4
329.02863	0.5
330.03812	36.2
331.04095	3.3
343.04556	15.8
344.04999	1.8
345.06155	100.0
346.06503	9.4
425.01773	6.9
426.02176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32104	0.4
65.00339	2.4
68.99826	1.6
70.42173	1.0
83.05051	0.5
89.00358	0.5
94.07648	0.5
98.22603	0.5
106.00632	1.1
120.99323	0.9
127.05547	1.6
134.00105	3.7
147.57767	0.4
149.99657	0.5
151.05569	0.6
153.07074	1.0
157.06598	1.0
158.77121	0.4
160.98784	1.2
161.99596	5.8
163.00389	0.9
165.07114	1.9
165.31042	0.4
167.05045	0.7
170.27136	0.5
171.04535	4.8
177.07112	2.5
180.05782	0.6
181.06622	4.3
185.06096	2.1
188.98267	4.3
189.99100	28.1
190.99440	1.4
193.06628	4.6
195.08223	0.6
197.06143	0.6
202.99843	1.8
205.06653	3.6
207.99805	0.4
209.06123	3.1
210.06921	1.0
216.97821	1.3
221.06161	3.1
222.06551	0.6
225.05611	4.4
227.07185	0.6
233.06067	1.5
234.98781	0.9
237.05576	3.3
238.06042	0.6
248.04814	0.6
249.05559	7.9
250.06129	0.7
252.04250	1.2
253.05078	3.1
265.05084	9.6
266.05829	6.6
267.03061	0.8
267.06287	1.4
277.05121	2.9
278.05756	0.9
279.03033	0.8
293.04584	9.0
294.05347	12.4
295.06015	2.5
321.04068	43.0
322.04327	4.2
324.91760	0.5
339.05222	0.9
355.09937	0.7
357.11295	0.8
383.09299	2.0
397.10919	4.7
425.10352	100.0
426.10629	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	425.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01936	1.2
65.00343	1.3
65.99850	11.2
68.99814	0.6
70.47522	1.1
70.69471	0.5
73.84385	0.6
75.04959	0.5
91.64678	0.6
108.00922	1.4
110.02522	0.7
116.05072	100.0
117.05428	4.1
123.03246	0.9
129.99005	0.5
132.00937	1.6
135.03300	1.4
136.00407	2.0
141.04543	0.7
148.00456	0.7
151.02722	1.1
160.00389	0.8
163.99905	1.6
171.04512	2.2
175.99896	6.5
183.05667	1.2
194.05942	0.6
203.99376	10.4
238.05080	1.7
242.08247	5.2
243.08495	0.5
249.06610	0.5
252.06677	1.3
266.04648	1.6
268.06085	3.1
270.05023	1.1
270.07721	12.0
271.07785	0.7
280.06177	15.1
281.06561	1.3
308.05661	31.9
309.05978	2.3
321.05420	0.6
324.71103	0.7
378.91409	0.6
397.12003	10.4
398.12390	1.5
425.11472	23.4
426.11887	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	425.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78787	0.4
59.01392	4.5
61.98836	10.9
62.93095	0.4
70.16653	0.4
71.01388	1.3
71.41711	0.4
72.00511	0.9
72.00917	17.7
72.75780	0.4
73.02964	1.0
89.02468	0.9
95.01405	0.5
100.00421	100.0
100.04059	6.6
101.00751	1.7
101.02451	0.8
103.60062	0.4
113.02473	1.0
117.05582	1.0
118.36425	0.4
119.05003	0.7
144.03044	77.2
145.03401	2.1
148.06258	1.0
177.01970	1.2
187.03949	0.5
192.04263	0.5
192.42104	0.5
207.06642	1.2
218.26228	0.4
247.47881	0.5
272.03049	0.5
274.08075	0.4
328.05856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
58.03786	2.6
59.01374	3.1
59.70444	0.8
65.13554	0.7
81.03464	3.1
89.35717	0.8
93.03436	1.2
99.04527	42.2
100.04917	1.4
101.02445	18.1
102.02087	0.8
108.83057	1.0
119.05000	4.3
119.93199	0.8
125.02468	3.4
149.02455	3.0
157.28740	0.9
177.01947	42.1
178.02245	2.5
192.04295	51.2
193.04648	2.9
207.06638	73.0
208.06996	3.7
252.54655	0.9
252.87822	0.9
289.08160	1.1
368.29645	0.9
369.58673	0.9
425.13525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	45.1
69.03457	21.9
71.01392	32.3
71.05030	35.1
73.02953	42.0
83.01392	4.7
87.00854	2.4
93.03473	12.1
101.02447	16.0
105.03450	9.7
113.02444	4.9
117.03491	13.3
118.03808	6.8
119.05040	11.2
121.02953	25.9
133.03024	2.7
134.03754	6.4
134.32751	2.1
135.04553	4.3
137.02451	20.0
145.02982	6.2
147.00905	6.5
147.04585	2.9
149.02454	4.2
149.09663	6.1
161.02469	100.0
162.02792	4.9
173.02367	4.8
177.09186	11.3
189.02000	11.5
201.02080	3.4
219.02997	11.0
221.08221	94.2
222.08560	5.0
253.98332	2.5
296.06583	3.4
349.07330	2.5
425.08640	6.4
425.14349	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	425.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59541	3.9
59.01383	11.9
67.29075	4.1
69.38692	4.7
69.39027	19.4
73.55851	4.1
105.66759	4.1
121.10263	7.0
125.09731	5.4
130.66736	4.8
139.11406	4.8
165.09044	6.7
169.26674	4.8
171.10278	56.5
193.08492	84.9
194.08810	5.4
269.07306	4.7
343.20761	6.1
343.24921	100.0
344.25345	9.9
345.16913	7.7
365.21997	7.2
425.16788	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	425.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.7
59.35532	0.3
61.75648	0.3
61.98823	0.5
62.95039	0.2
69.76916	0.6
69.77310	0.5
71.01389	0.6
78.95955	0.2
85.02956	0.5
92.77394	0.3
99.92597	0.4
114.84924	0.2
115.00359	0.3
115.92025	0.2
116.92887	0.6
119.05063	0.4
121.02953	0.4
127.07635	0.3
135.04524	0.3
147.04515	0.4
147.28015	0.3
148.05322	2.8
150.23421	0.3
163.07564	0.6
164.08395	0.7
177.95087	0.3
178.09981	0.8
205.12346	16.6
206.09502	5.7
206.12651	1.1
207.09813	0.3
220.14699	100.0
221.15338	13.2
222.15816	0.6
222.64525	0.3
243.12923	0.3
263.16614	0.5
348.09436	0.3
365.19598	0.4
368.14789	3.1
425.21863	19.5
426.22009	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18045	1.0
59.01382	11.1
69.03458	1.4
70.96517	1.3
80.91655	1.2
83.05049	1.8
85.02978	1.2
92.15750	1.0
95.05026	3.1
96.96078	1.3
97.06597	1.2
99.08170	7.4
99.92597	4.8
115.92085	1.9
116.92934	1.2
119.05029	3.7
121.10247	4.3
125.09787	2.3
137.09761	2.1
139.06342	1.3
152.58202	1.1
171.10284	27.8
191.07118	1.5
193.08476	31.8
193.12326	14.1
194.08755	1.5
201.09229	2.1
211.08215	1.7
211.13396	3.2
215.10567	9.4
225.15019	19.5
232.10736	7.8
233.11618	4.9
243.16014	5.8
247.13171	4.4
249.09697	1.4
251.11337	3.0
259.09442	1.5
264.09821	14.1
265.14252	3.7
279.11557	3.9
293.21402	2.5
309.13266	2.8
333.19482	3.2
343.24921	100.0
344.25314	10.7
351.20343	1.9
365.22000	15.8
366.22174	2.9
399.83685	1.4
425.12704	2.6
425.25284	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	425.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77509	0.9
67.57591	0.8
70.69696	1.4
79.95743	12.8
80.96548	1.3
88.63433	0.8
93.40175	1.0
94.98087	1.1
95.95217	2.2
96.87408	0.8
96.96021	100.0
97.49623	0.8
108.73502	1.0
122.97598	6.1
132.53749	1.0
178.41728	1.0
182.44124	1.0
268.58762	0.9
425.25803	89.3
426.26062	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	425.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34006	100.0
96.96016	61.8
99.92556	29.1
113.67615	24.9
117.39185	26.3
155.93558	23.0
161.64967	22.9
183.71211	21.5
246.65076	26.6
265.14902	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71069	2.2
59.01387	48.0
59.17276	2.1
69.42792	11.9
82.02981	5.7
92.09140	2.3
103.00385	100.0
104.00683	2.9
104.63241	3.0
106.02988	7.4
118.03000	4.2
124.04017	4.7
130.02986	17.7
146.02473	10.2
148.04039	3.5
150.01990	11.3
152.92755	2.2
161.90880	2.7
162.02023	5.3
164.03545	9.7
171.04520	5.3
171.34473	2.2
174.01987	19.4
187.02788	3.6
192.03006	8.2
200.03586	2.4
218.04601	4.9
220.43488	2.7
226.08759	4.5
236.07191	6.0
242.08273	3.6
250.08775	4.7
254.08116	4.3
261.39584	2.5
268.09735	11.8
270.07706	7.8
278.08246	59.3
279.08401	3.6
280.06110	5.4
296.05951	5.5
296.09296	91.9
297.09628	8.3
322.07199	23.2
350.06696	5.2
359.34253	3.2
426.50092	2.7
433.16037	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	426.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	5.3
65.99869	3.5
69.53091	9.0
81.93467	2.7
82.03040	2.7
87.98817	2.8
90.91002	3.3
95.86955	3.0
103.00362	5.0
120.00864	3.9
124.04045	8.9
127.00416	4.2
134.02516	3.9
136.04056	4.9
139.00339	4.1
146.02530	4.8
149.01233	4.0
162.01897	3.1
164.03545	11.4
164.98291	6.3
171.04527	3.6
175.99925	4.6
177.01947	3.1
190.01532	3.8
192.03036	8.2
218.04636	7.4
223.06323	3.8
226.08669	6.9
240.06560	2.9
242.08226	38.1
250.09007	3.2
254.08385	4.8
255.06599	4.8
266.08383	3.2
268.03415	4.5
268.06192	7.0
268.09787	17.3
269.04422	7.9
270.07755	58.6
278.08243	9.4
280.06213	10.7
294.07712	11.7
296.05670	23.3
296.09280	100.0
297.09653	5.8
317.85526	3.3
322.07379	6.1
338.10352	80.7
339.10632	9.5
364.08011	3.4
366.06140	45.1
367.06638	6.4
382.09451	9.4
394.05838	4.8
426.12683	5.1
427.16226	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	426.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17595	0.7
65.00309	1.9
65.99855	8.3
68.01427	1.0
68.99805	1.5
70.16592	1.6
80.96509	0.9
82.02982	1.0
87.22977	0.8
94.02986	1.0
96.99345	1.4
106.03011	1.7
108.00959	2.1
113.22126	0.9
118.02992	1.8
122.02431	1.2
124.98802	2.1
130.03004	0.9
134.02516	1.0
136.00400	3.4
138.01883	0.9
138.99159	2.3
146.02487	4.2
150.02017	5.2
151.00391	1.4
151.99918	1.0
162.02017	4.6
163.99905	3.0
171.04536	3.0
172.00392	0.8
174.01993	6.6
175.02837	0.8
175.99905	7.2
178.01414	3.6
188.03571	0.8
190.01469	6.8
194.00871	1.1
194.09581	0.9
202.01535	1.4
203.02182	1.2
203.99365	5.6
206.01065	1.2
218.00955	6.0
234.00493	1.9
236.07190	1.5
238.05060	1.6
240.06644	0.9
242.08089	1.5
243.98828	1.3
244.02623	1.2
246.00452	0.9
250.08685	0.8
252.06706	4.0
254.08211	2.0
255.06624	2.4
261.99896	1.4
266.08203	1.9
268.06171	6.6
270.07776	3.6
271.98187	1.0
278.08194	3.5
280.06174	15.0
281.06439	1.4
282.07791	8.9
289.99445	11.4
294.04608	1.2
294.07748	11.7
295.08167	0.9
296.05661	3.8
297.06082	0.9
300.22223	0.8
306.07962	1.0
308.05530	4.0
310.07257	1.6
320.05569	1.5
322.07248	13.9
323.07495	1.2
336.08853	2.2
338.06863	1.6
348.04990	1.9
350.06699	2.3
366.06076	5.0
376.04639	1.9
394.05695	100.0
395.06076	11.5
408.07233	1.9
426.08273	7.1
426.96994	1.0
427.15994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13639	0.7
64.85091	0.7
65.00343	1.8
65.99852	8.9
68.99820	2.0
69.12502	3.0
69.12917	1.7
89.76774	0.7
90.03506	0.9
96.00913	0.7
96.99318	2.5
98.21909	1.9
99.00882	0.8
106.03004	2.0
108.00937	1.8
110.02482	1.5
116.05045	1.5
118.03022	2.1
119.05054	1.0
120.00903	1.9
121.02960	1.6
122.02489	1.9
124.98784	2.3
130.02940	0.6
134.02507	2.0
136.00436	3.0
138.99161	1.6
146.02505	5.3
150.01955	5.2
151.00307	0.8
158.02538	1.3
162.01996	3.5
163.99919	3.4
166.01488	1.1
171.04546	2.5
172.00365	0.9
174.01961	5.1
175.99893	10.2
177.00536	0.9
178.01488	4.3
188.03568	1.0
190.01422	5.2
190.98689	1.2
191.99379	1.2
194.00955	1.5
202.01485	1.4
203.02222	2.0
203.99413	5.5
213.05487	1.0
218.00929	7.4
222.00436	0.8
224.07082	1.7
225.05473	1.5
231.01654	1.3
232.02509	1.0
232.07660	0.8
234.00574	1.0
238.05026	1.1
240.06633	1.6
242.08214	2.5
243.98918	1.5
246.00464	1.1
252.06644	3.2
254.08327	1.7
255.06479	1.6
261.99844	1.7
264.06689	1.4
266.08206	2.9
268.03687	1.4
268.06256	7.4
270.07730	5.1
276.06488	1.1
278.08218	2.8
280.06161	14.3
281.06320	1.1
282.07785	10.0
283.08154	0.9
289.99454	10.9
292.06195	0.9
294.07767	12.1
295.08185	1.8
296.05569	3.9
308.05585	3.6
309.05966	1.3
310.07300	2.1
320.05676	2.2
322.07300	13.7
323.07465	1.5
336.08762	2.1
338.06613	1.8
348.05087	3.1
350.06607	1.9
366.06143	7.9
376.04526	1.8
394.05679	100.0
395.06009	12.0
408.07306	1.3
426.08203	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	426.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34069	1.1
59.01385	1.6
60.19485	1.3
65.99854	8.9
68.99820	2.7
96.99297	1.6
103.00373	2.2
106.02991	1.9
118.02992	3.1
120.00887	1.3
121.02975	1.1
130.03064	1.5
134.02513	3.4
136.00444	2.8
146.02457	4.1
146.18355	1.2
150.01978	6.0
162.02016	6.4
163.00342	1.8
163.99899	4.7
164.98326	1.7
165.00703	1.8
167.58406	1.3
171.04512	4.1
172.00444	1.5
174.01968	5.8
175.99910	9.1
178.01445	3.2
190.01520	6.4
190.98618	1.8
202.01488	2.6
203.99330	4.0
218.00992	6.3
226.05038	1.3
234.00432	1.8
240.06757	2.0
242.08182	4.3
252.06670	4.0
255.06633	1.7
266.08337	2.5
268.03745	9.0
268.06042	6.6
269.04419	3.1
269.06982	2.5
270.07730	11.0
276.06793	1.7
278.08228	4.2
280.06155	15.2
282.07758	9.3
283.06076	4.2
289.99484	13.1
290.99777	1.4
294.07730	13.6
296.05563	3.9
296.08823	1.7
308.05624	1.5
310.07214	1.5
320.05814	1.2
322.07269	14.0
336.08676	3.1
338.06857	1.5
348.05222	3.8
350.06650	2.5
366.06082	8.9
367.01419	2.0
376.04462	1.4
394.05725	100.0
395.05960	10.9
426.08295	6.4
426.13443	2.2
427.16125	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	426.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	2.6
65.99876	2.8
71.42083	2.6
71.48109	1.9
88.79672	1.9
93.03464	25.6
100.32079	2.0
119.05039	61.7
120.05331	3.6
140.05037	3.5
147.15343	2.3
158.77113	1.9
190.06650	3.9
206.06102	4.8
210.05678	2.9
234.05618	15.4
242.08215	2.6
269.04535	2.9
270.07690	10.8
278.04669	24.5
279.05148	2.6
280.06213	4.6
306.04092	66.4
307.04520	5.8
320.05774	2.0
332.05630	9.5
380.81314	2.6
405.60168	1.9
426.09830	100.0
427.10199	12.4
427.16165	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	426.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98837	7.6
69.58290	27.8
71.01393	40.0
73.02956	45.8
74.35260	6.7
83.01402	12.9
85.02972	14.9
89.02467	20.5
95.01423	11.1
98.21941	13.9
101.02445	31.3
105.03462	7.7
113.02474	17.3
114.05658	7.4
119.03503	9.8
121.87440	7.7
123.04528	9.8
133.02983	14.0
135.04533	9.6
141.19296	7.3
143.03543	7.8
145.02998	13.8
147.04616	7.4
151.07594	9.1
161.02400	5.8
161.04617	14.3
161.06110	17.5
162.08128	6.1
163.07680	9.8
173.02434	18.0
179.05727	13.7
179.07185	29.5
181.05093	8.9
185.02510	6.4
201.01918	13.4
205.12431	7.8
221.08310	8.5
297.00458	7.5
323.11304	25.6
328.08591	9.0
329.69080	6.5
330.05875	9.7
341.12347	10.9
383.13422	8.1
426.15555	21.2
427.10638	14.4
427.16174	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	426.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
61.98844	1.1
68.99816	1.2
70.91251	1.3
71.01378	2.3
72.85050	0.8
72.99303	2.8
73.63532	0.7
83.93116	0.7
84.68422	0.7
84.93882	3.9
84.95140	1.0
85.02975	1.3
93.25954	0.7
96.96046	1.0
98.95551	1.6
99.00893	1.8
99.92589	34.6
100.92627	2.5
100.93363	27.5
101.93375	1.6
111.00879	2.6
113.02428	2.3
115.92087	43.2
116.92865	100.0
117.92873	4.9
124.93365	2.7
126.94930	2.1
127.00389	0.9
128.92876	0.9
136.01674	5.6
139.00409	2.2
142.94427	9.5
151.03999	5.4
151.52663	1.0
154.94458	1.6
158.93901	2.1
166.94402	1.2
169.93121	2.3
170.93933	4.3
175.02481	1.3
184.95470	2.9
186.93391	2.4
194.93954	2.9
198.93454	2.4
212.94984	3.0
218.14581	0.8
230.96033	1.4
255.03008	1.0
256.94034	5.9
274.95020	5.0
299.01880	1.6
327.07333	0.8
426.99704	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	427.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	64.2
59.51521	4.6
61.98828	8.8
64.58218	4.3
69.21569	5.2
69.70737	18.9
71.01389	33.5
72.99319	11.4
75.00859	13.2
77.37814	4.5
78.95918	36.0
84.95129	11.5
85.02962	69.6
87.00886	13.3
89.02438	8.9
94.57135	4.7
95.01398	17.6
96.95995	13.8
96.96955	45.9
99.00890	27.9
103.00355	7.3
113.01736	7.4
113.02468	100.0
115.00326	5.4
117.00455	5.1
117.01932	10.5
120.02200	8.0
138.03244	11.8
139.00414	7.8
153.05583	70.7
170.97832	14.4
175.02486	34.1
210.99246	16.0
227.03433	5.0
231.57462	5.0
259.23376	4.7
281.17789	6.2
315.14517	5.5
329.08792	96.9
330.09109	6.7
444.44955	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	427.065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
71.01397	1.6
71.40372	1.1
73.43568	1.0
73.51443	1.0
78.95913	25.7
92.25817	0.9
96.96973	46.9
108.02179	29.3
113.03632	1.1
123.04535	14.9
152.01161	35.7
158.98499	1.2
167.03505	100.0
168.03851	3.1
171.12984	1.1
243.55624	1.1
329.08771	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1037
Annotation	epsilon-Rhodomycinone
Peak:m/z	Relative Intensity
59.01377	6.5
62.65271	1.0
65.00330	3.8
68.99809	1.2
69.45095	2.1
69.45486	1.6
72.99314	1.0
89.00333	7.2
98.22571	2.0
99.00911	2.8
105.03436	1.4
108.25247	1.0
117.03526	1.4
119.05026	1.5
123.00920	2.6
132.02205	4.0
133.02969	100.0
134.03824	8.0
134.83647	0.9
135.00894	2.4
135.04530	1.2
136.98805	2.7
145.02998	2.6
146.03723	1.6
147.04514	1.1
149.06108	1.2
157.02948	1.0
158.03767	1.4
159.04605	1.0
160.01540	1.2
160.98819	21.0
161.02484	1.8
161.06058	0.9
163.04013	2.0
169.02974	1.8
170.03748	2.9
173.02400	7.4
174.03233	4.7
175.03969	5.8
177.01871	1.0
179.06990	0.9
182.03777	2.3
185.02438	2.4
186.03223	7.4
187.07599	1.2
189.05597	4.4
194.99344	3.0
197.02464	3.4
198.03239	20.6
199.04012	15.5
200.04372	1.0
201.01952	64.7
202.02446	6.6
203.03581	1.5
205.12292	1.0
210.03195	1.4
213.02005	2.3
214.02647	1.8
217.05067	8.5
225.01997	6.0
226.02678	5.4
230.02173	1.8
231.06636	1.8
239.78459	0.9
241.01401	2.2
242.02277	6.8
243.02936	4.1
244.03192	1.2
249.07616	1.9
253.01340	1.7
259.06067	6.5
269.00949	4.2
270.01715	13.9
271.02481	14.3
272.02701	1.4
276.34192	1.2
279.06839	0.9
290.06091	1.2
293.43427	0.9
295.09894	0.9
297.00433	79.7
298.01175	54.7
299.01624	5.0
312.40567	1.0
323.09222	1.2
326.04498	1.7
329.03131	6.3
330.03537	2.1
333.07684	1.5
349.07162	1.9
351.08698	3.7
367.08289	1.4
395.07730	73.5
396.08023	8.7
427.10437	23.6
427.15909	2.1
428.10843	2.8
453.37485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58774	0.9
53.69665	0.9
59.01373	4.0
61.98835	2.1
64.88913	0.9
69.76296	3.3
71.33013	0.8
72.00913	20.6
73.02980	1.1
78.95909	6.1
84.48874	0.9
86.29446	1.0
91.05525	1.4
96.96987	8.9
108.02181	2.7
108.97188	2.9
113.02494	1.2
133.74492	0.9
134.91312	1.0
141.98206	4.4
146.65005	0.9
147.04536	56.9
148.04924	2.3
152.01115	1.8
154.97771	7.7
161.55119	1.1
164.07182	64.1
165.07539	2.6
167.03511	8.0
187.98802	3.3
200.98337	5.1
214.41801	0.9
220.07996	1.2
293.04886	0.9
308.03244	1.0
335.05670	2.3
410.84750	1.1
427.11868	100.0
428.12216	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	427.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
64.01904	0.8
65.00325	2.3
65.99847	4.5
66.64788	0.8
71.20911	0.7
71.69841	0.8
93.31166	0.8
96.00919	2.5
99.67684	0.8
109.01714	2.8
110.02499	1.5
115.66351	0.8
116.05071	100.0
117.05418	3.5
120.00938	2.2
121.01705	2.5
134.02539	1.0
135.03279	1.0
136.00414	11.7
137.01198	1.1
144.32103	1.0
150.02002	3.4
158.06125	11.4
162.01942	0.8
163.99908	7.8
165.00667	10.7
171.04559	1.8
178.01460	2.8
180.08139	1.3
206.00954	1.0
212.07190	1.9
224.07207	1.9
226.05124	1.1
227.07289	0.8
232.02455	1.3
233.15627	1.1
240.06651	6.1
242.08273	3.6
254.08221	3.1
255.06908	1.6
266.08200	1.8
268.06140	38.3
269.04333	1.6
269.06879	12.1
270.07718	8.4
280.06354	1.1
282.07721	11.8
283.08121	0.9
310.07224	44.0
311.07440	4.7
321.08075	0.8
321.13589	1.0
330.18472	0.9
367.01678	1.0
395.06064	1.0
409.11761	0.9
427.12805	21.7
428.13068	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	427.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77025	0.5
59.01393	3.4
61.98832	5.1
69.07636	3.2
69.58941	0.5
78.95896	0.9
83.93087	1.0
84.93884	3.5
96.96980	1.0
99.92593	43.8
100.92675	1.9
100.93367	36.2
101.93383	2.0
115.92085	47.6
116.92209	4.0
116.92867	100.0
117.92890	5.2
117.93661	0.8
118.17622	0.5
119.05087	1.3
130.82043	0.5
166.91470	0.5
171.10312	0.6
181.12329	0.8
193.96719	0.6
197.99957	0.7
215.18268	0.5
248.05231	0.8
249.05873	1.0
255.03264	1.2
263.03726	1.1
267.03241	0.7
279.03317	0.9
280.03937	0.5
293.04871	12.0
294.05261	1.7
295.02994	0.7
304.04160	0.7
309.04288	0.9
310.05081	1.3
311.05789	1.7
322.05130	9.4
323.05643	1.3
325.03839	0.7
327.21722	2.9
354.03665	0.6
373.11115	13.7
374.11368	2.1
387.09048	2.4
391.12183	17.0
392.12430	2.3
405.10101	3.8
406.10254	0.7
409.13281	2.2
427.14359	15.7
427.19193	1.2
428.14731	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	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03551	0.7
59.01384	100.0
60.01738	0.8
61.73110	0.7
64.27235	0.6
77.66903	0.7
79.12199	0.7
93.03470	0.9
96.96046	1.2
109.02979	1.5
110.03245	0.8
115.80408	0.8
117.03521	0.9
119.05100	1.3
133.03001	1.4
135.04585	1.2
148.05307	8.2
163.07668	8.5
189.34969	0.7
269.04623	3.8
284.03354	2.2
289.97989	1.1
299.05789	0.9
331.14462	0.8
339.99292	0.9
367.01486	1.6
390.95395	1.4
427.10565	2.0
427.20010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01732	1.1
61.98834	2.1
68.99212	0.6
85.89670	0.7
100.41013	0.7
103.87193	0.7
123.83053	0.7
135.04536	1.3
148.05315	11.7
163.07666	14.3
163.08958	1.1
164.07988	0.7
332.00079	2.1
344.66470	0.8
347.02414	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	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01717	1.0
78.76355	0.4
84.50311	0.4
87.36937	0.4
110.00110	0.5
121.03015	0.4
133.03041	1.0
142.92369	0.4
147.04660	0.4
148.05336	7.9
163.07668	8.3
163.08954	0.6
164.82640	0.5
164.97427	0.4
332.00043	0.7
347.02435	0.7
427.10599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08115	0.7
54.26298	0.8
57.03455	100.0
57.82278	0.7
58.03773	1.8
59.01373	3.6
63.21605	0.7
71.42095	0.8
81.03462	10.7
85.38878	0.8
99.04529	35.9
101.02452	16.8
108.78228	0.9
133.02924	0.9
151.04048	1.7
161.02470	11.5
176.04813	7.8
179.02046	1.3
179.03526	17.0
180.03802	1.2
191.07143	3.4
194.05844	23.2
195.06059	1.0
206.41161	0.8
209.08200	45.5
210.08578	3.8
210.70366	0.9
223.51115	0.8
231.37746	0.7
269.04498	1.5
391.71539	0.9
396.10342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25578	0.5
55.23410	0.5
57.03454	100.0
57.24132	0.5
58.03786	1.1
59.01377	3.7
60.71516	0.5
69.08728	2.7
71.01381	0.8
71.72942	0.5
78.25549	0.6
81.03466	11.0
84.28675	0.5
96.96049	0.8
98.21809	1.0
99.04528	38.0
100.04881	1.0
101.02451	16.8
102.02799	0.6
117.03489	0.9
118.99173	0.5
125.02480	1.6
133.02913	0.7
151.00392	0.8
151.04034	1.2
153.69267	0.5
161.02460	10.6
162.02812	1.0
168.59183	0.5
176.04785	7.0
179.03505	17.6
180.03854	1.0
191.07184	2.9
194.05856	22.0
195.06290	1.2
209.08203	46.2
210.08592	3.5
269.04688	2.0
427.15927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.62763	1.1
69.11084	7.1
69.12980	1.2
71.01398	1.2
72.20353	1.0
74.02486	1.6
74.34931	1.1
78.79456	1.3
106.31319	1.5
117.03454	1.6
119.05027	2.5
148.05327	7.1
163.07687	8.4
165.00690	1.2
187.03900	1.1
238.21696	1.2
384.23969	2.3
427.10208	1.5
428.10828	1.4
428.26367	1.9
445.75500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
56.98038	9.1
57.03443	1.3
58.99609	100.0
59.01381	11.7
59.96161	0.5
59.99952	1.3
62.10202	0.6
63.96245	1.4
69.25267	3.2
71.01388	14.7
73.02954	5.9
74.99101	21.9
79.95758	2.0
80.96548	0.6
81.03470	0.5
83.01409	1.7
85.02960	7.6
87.00883	28.3
88.01233	0.6
89.02467	2.2
95.01418	1.9
95.15169	0.6
96.96004	0.8
97.02964	0.8
97.51322	0.4
99.00903	1.5
101.02454	6.7
113.02468	6.6
117.97321	4.2
118.98097	4.4
119.03561	0.8
133.02971	1.1
135.04549	0.7
141.07462	0.9
143.03497	0.6
152.08441	1.0
152.80046	0.5
153.09241	1.4
159.03026	0.9
161.02493	4.7
161.04579	8.0
161.05910	0.9
162.02826	0.5
177.09550	20.2
178.09900	0.6
179.03508	0.8
203.10841	0.5
205.05240	0.5
205.12303	0.7
237.04362	2.7
247.10098	44.1
248.10454	2.8
249.06168	16.3
250.06548	1.4
260.74405	0.5
299.04425	2.2
367.17230	0.5
427.12222	1.4
427.16507	16.5
428.16830	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	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77088	0.4
55.01886	0.6
57.03447	0.9
59.01384	100.0
60.01715	1.3
64.98495	0.5
70.06439	0.7
70.06763	1.0
71.01389	12.1
73.02940	6.0
83.01407	1.5
85.02973	3.5
89.02456	3.1
95.01413	1.7
97.02985	0.7
98.22547	0.5
99.00900	0.6
101.02441	4.0
113.02460	8.0
123.08231	0.7
125.06102	1.1
136.05281	0.8
138.06891	4.3
139.07657	1.1
143.16373	0.6
151.07669	3.3
152.08435	13.8
153.09227	24.9
154.09573	1.1
161.04568	2.9
163.11159	0.6
165.09224	0.8
187.11356	0.8
190.10014	0.8
205.12350	12.0
223.13344	2.5
280.82858	0.6
367.17560	9.3
367.21619	0.7
368.18146	1.1
385.18832	1.4
424.93259	0.6
427.19901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28841	0.6
57.03451	1.3
59.01380	2.2
65.73475	0.5
69.03461	0.6
71.05022	0.9
81.03457	2.9
85.02946	3.7
85.06590	0.7
86.53494	0.5
87.00883	0.8
87.04517	5.1
88.10675	0.5
97.02966	6.1
97.06617	1.0
107.05035	1.1
108.02195	2.1
109.03000	0.7
109.06619	0.6
111.04597	0.6
113.06110	5.5
115.04024	39.4
119.05074	0.6
121.06604	2.4
123.04583	1.1
123.08166	2.1
124.01645	0.8
125.02451	3.1
125.06129	1.2
135.08154	0.9
141.05630	1.6
147.08145	1.4
149.06082	0.8
151.07655	6.3
152.01219	0.7
159.04575	0.6
161.06145	0.9
165.09195	1.6
167.07146	1.5
172.55424	0.6
177.09187	0.6
180.04277	0.7
180.10799	0.6
185.08075	0.6
187.07660	0.6
189.05580	0.8
195.06641	100.0
196.06975	5.3
203.07193	0.7
240.07172	0.6
257.11929	1.3
261.11334	0.7
269.15463	1.0
285.14978	0.7
311.16617	2.2
313.14502	12.6
314.14899	1.1
321.22253	1.0
323.20349	0.7
329.17551	1.2
350.18872	0.6
365.21268	5.2
383.22089	1.3
409.20078	1.2
427.21246	24.7
428.21643	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	427.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	6.5
65.99884	6.5
69.16235	33.2
79.95756	5.4
80.96535	10.4
105.42810	4.6
110.02506	7.5
118.02946	5.4
136.98814	6.4
159.08395	6.4
164.98378	8.1
171.04532	12.4
183.05595	6.6
187.05208	11.9
211.05103	12.4
223.05360	7.1
226.05229	5.0
235.05101	8.8
242.08286	24.0
242.82994	4.6
252.06413	5.7
268.06207	14.5
269.04462	19.5
270.07733	55.7
279.04077	16.0
281.06543	5.2
382.42917	5.3
383.10330	17.7
388.83701	5.2
394.05676	5.9
395.05948	43.4
396.15161	6.1
406.96271	5.3
407.14090	5.3
426.96558	7.7
427.09357	100.0
427.16238	35.3
428.09982	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	62.8
61.09280	19.5
61.98848	36.2
70.06395	60.5
96.96013	65.8
99.92606	67.3
100.93372	51.5
106.22327	21.4
115.92076	50.3
116.92849	100.0
126.90527	44.9
179.06480	24.4
191.60164	22.0
215.19463	25.4
221.15404	78.3
223.11156	29.0
226.86366	24.6
255.03127	25.4
268.03751	56.2
346.31973	21.7
351.75623	26.3
389.38690	24.1
391.12283	25.5
411.94470	40.4
426.96677	38.1
427.14240	69.6
427.27283	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42760	15.4
96.96029	25.6
99.92595	80.8
100.92648	18.1
101.60985	12.2
101.92400	29.4
114.05281	13.8
164.49986	12.8
197.02780	12.8
311.17023	14.0
326.18710	47.7
361.14902	20.9
363.14883	20.1
367.13477	19.3
427.10956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92646	1.2
55.59477	1.1
57.63763	1.2
64.01929	4.0
65.00333	5.6
65.96379	1.2
65.99850	24.0
68.99823	3.2
69.04336	8.2
69.04750	2.7
75.01582	1.3
95.56459	1.2
96.00907	6.4
99.00887	7.9
105.02232	1.8
107.00146	2.1
108.00935	3.8
116.01437	2.3
119.00114	2.4
120.00947	6.2
124.53610	1.3
132.00917	2.5
133.01698	2.8
134.99689	1.9
136.00414	36.9
137.00648	1.3
144.00969	1.5
146.02425	1.4
148.00375	2.6
149.01207	3.6
159.02972	2.0
160.00414	5.3
161.01271	1.3
163.00378	4.2
163.99896	37.1
171.04564	5.3
174.99097	1.6
175.99887	32.3
177.00674	7.8
187.99904	11.8
189.00639	3.1
190.01443	3.9
190.98589	10.7
191.99603	1.6
198.05525	2.1
202.01382	1.6
203.99377	8.5
215.99370	12.5
218.00902	1.4
220.02647	2.0
220.07687	1.5
222.05475	1.7
224.07169	2.5
226.05176	4.7
236.07245	2.0
238.05240	2.1
240.06671	5.2
242.00888	2.4
248.02116	1.6
250.05099	2.5
252.06642	3.1
253.04962	1.7
264.06665	19.6
265.07263	1.5
268.06165	100.0
269.06573	8.5
270.07916	1.3
278.04614	6.0
280.06168	55.6
281.06552	4.6
292.06116	12.3
294.04462	1.9
294.07739	5.6
295.04919	7.0
296.05557	4.2
296.09033	2.3
308.05667	26.8
309.06033	4.7
317.31796	1.5
320.05652	43.8
321.06012	4.7
324.08682	2.2
336.05011	4.5
340.08243	10.4
350.06641	3.6
352.08286	74.5
353.08597	7.4
368.07745	60.6
369.08218	7.7
396.07260	28.3
397.07709	4.5
400.10339	2.2
428.09879	68.3
429.10220	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	428.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01923	3.0
65.00330	8.4
65.99850	28.4
66.19575	2.0
66.70725	2.4
68.39492	2.0
68.99823	4.8
70.15211	6.3
72.88193	1.9
75.43519	2.2
76.40568	2.2
82.71497	2.7
84.36660	2.7
90.14475	2.1
96.00933	6.9
98.21909	2.4
99.00893	9.4
104.91277	1.9
107.00138	2.7
108.00917	6.3
110.00075	3.1
116.01440	3.7
117.03470	2.0
119.00144	2.7
119.05094	2.2
120.00925	7.9
133.01671	3.3
136.00415	43.1
148.00444	8.1
149.01151	4.9
159.03001	3.4
160.00409	9.4
163.00349	5.2
163.99919	46.8
165.00636	3.0
171.04564	6.5
172.16107	2.6
175.99908	39.4
177.00648	3.8
187.99860	13.5
189.00626	3.8
190.01465	3.2
190.98573	16.9
191.99467	3.6
197.06067	4.0
203.99432	14.0
205.00082	2.2
215.99370	18.1
225.05690	3.5
226.05142	8.7
236.07245	4.4
238.04996	4.1
240.06558	5.1
250.05119	3.0
252.06648	6.7
253.05031	6.2
264.06696	23.6
267.06454	3.3
268.06152	100.0
269.04163	4.3
269.06570	8.3
270.07617	2.4
271.08157	2.5
278.04596	6.4
280.03165	4.9
280.06168	61.8
281.06369	5.9
292.06079	13.9
293.06754	3.9
294.07782	6.1
295.04913	10.3
296.05569	6.2
308.05682	26.3
320.05692	46.7
321.05884	4.1
336.05188	5.3
340.08221	9.2
350.06598	3.3
352.08270	81.0
353.08569	6.6
368.07788	71.8
369.08051	7.5
384.12784	3.4
396.07211	27.1
397.07648	4.4
400.10803	4.6
401.10431	6.2
428.09930	71.6
429.09903	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	428.099
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01933	4.2
65.00324	4.2
65.99852	27.0
68.99818	5.2
70.35246	2.9
70.35602	1.3
96.00914	5.8
99.00900	9.5
105.01373	1.3
105.02174	2.2
107.00185	2.1
108.00929	5.2
119.00130	1.6
120.00909	7.6
132.00925	3.0
133.01749	3.5
134.99664	1.8
136.00412	43.0
148.00435	4.5
149.01193	4.2
159.02995	2.5
160.00418	6.8
161.01176	2.2
161.77676	1.4
163.00394	3.7
163.99915	42.4
165.00606	1.7
171.04526	3.0
174.99150	1.6
175.99901	31.4
177.00652	7.1
187.99933	11.0
189.00681	3.9
190.01437	4.4
190.98636	12.7
191.99265	2.8
198.05649	1.8
202.01443	2.0
203.99361	11.5
205.00256	2.2
208.07643	2.0
210.05670	2.2
215.99408	15.5
216.99774	2.5
220.02502	2.8
224.07257	3.6
226.05165	4.3
236.07185	2.4
240.06654	4.1
242.00958	2.3
248.01978	1.7
252.06651	4.9
264.06686	21.2
266.04739	2.2
267.06366	2.2
268.06180	100.0
269.06390	7.0
278.04599	5.5
280.06155	62.7
281.06509	4.5
292.06192	11.1
293.06900	2.1
294.07773	5.5
295.04938	7.4
296.05685	3.0
308.05615	26.5
309.06165	3.3
320.05655	44.9
320.09424	2.3
321.06104	3.9
324.08835	3.9
336.05206	5.0
340.08325	13.3
350.06580	4.8
351.06958	1.6
352.08289	84.9
353.08752	9.6
368.07748	65.2
369.08148	6.8
396.07239	29.1
397.07684	2.7
400.10294	3.7
428.09885	67.2
429.10287	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	428.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61110	0.6
58.78140	0.7
65.00336	1.0
65.99860	4.6
68.99829	1.2
70.91788	0.7
71.01404	1.0
95.25093	0.6
96.00919	6.2
98.02470	2.1
106.26860	0.7
109.01737	1.1
109.57516	0.8
115.05637	0.7
117.03417	0.8
120.00923	3.1
121.01728	1.1
131.05070	1.6
134.02481	0.9
135.33276	0.6
136.00426	4.1
137.01337	1.0
141.07120	1.1
142.06642	2.7
143.05054	1.2
147.04485	0.9
158.06111	3.2
163.99940	4.7
165.00699	4.5
166.01431	1.0
166.06654	1.0
169.06528	0.8
170.06088	1.4
171.04526	3.0
173.06056	0.9
175.99922	2.6
177.00502	1.0
184.07773	2.3
185.06046	3.9
186.05612	20.1
187.06003	1.8
191.99353	2.2
198.05554	1.3
199.04004	1.1
200.07220	1.1
208.07716	1.7
210.05556	1.0
212.07230	2.3
214.05106	6.8
218.00905	1.0
224.07239	1.6
225.05588	0.9
226.05124	2.4
228.06718	8.4
236.07140	0.8
238.05005	1.0
240.06728	2.3
241.07297	1.1
242.08290	0.8
252.06677	2.4
253.05099	2.8
254.04631	2.5
256.06180	5.9
257.06409	0.8
268.06189	10.1
269.06912	4.3
270.07712	3.2
271.08115	1.3
278.04556	0.8
280.06155	4.4
296.05634	15.2
297.06073	1.0
358.10806	2.2
372.12390	0.8
384.12399	2.1
400.11929	21.0
400.17139	1.5
401.12198	2.9
428.11398	100.0
429.06189	1.0
429.11743	14.4
437.08633	0.8
444.12479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.97932	0.5
63.01129	1.1
64.01933	0.6
64.08960	0.5
65.00331	3.1
65.70097	0.5
65.99855	4.5
68.99805	1.1
69.10256	1.9
69.10681	1.5
81.02211	0.7
90.03431	0.5
96.00938	1.0
105.02213	0.6
107.00146	1.8
108.00958	1.0
109.01712	1.5
115.05550	0.9
117.03487	0.6
120.00890	2.7
121.01723	1.8
133.01730	2.9
134.02493	7.6
134.99611	0.6
136.00443	1.5
137.01208	0.5
140.34996	0.5
141.07115	0.7
142.06628	6.2
145.01772	0.7
146.02504	0.6
150.01952	0.7
161.01202	2.3
162.01991	0.9
164.98434	0.6
165.00682	8.9
165.37537	0.5
166.06635	6.9
168.08212	1.9
169.06604	1.0
170.06125	2.6
171.04579	2.4
175.99898	1.6
180.08231	0.8
184.05338	0.6
184.07687	2.2
185.06049	0.7
189.00699	7.9
192.08221	1.6
194.06149	0.7
202.01485	1.3
203.76289	0.5
208.07672	3.9
210.05576	3.3
211.06238	0.7
212.07170	10.9
215.02379	0.8
222.05499	0.9
223.06378	1.0
224.07205	1.5
225.05444	0.7
234.05698	0.6
236.07161	6.5
237.07716	1.0
238.04985	0.6
239.05934	0.8
242.08220	0.6
251.05920	1.1
252.06636	5.9
253.04968	0.8
253.07327	0.8
254.05779	1.3
262.65179	0.5
265.07498	1.8
267.05423	1.1
268.06052	3.1
269.06924	7.5
270.07544	1.1
271.07980	1.2
278.04733	0.8
279.05182	0.7
280.06152	10.0
281.06381	0.8
293.06885	5.9
294.07263	0.8
342.11234	0.8
356.12991	2.8
366.11234	0.9
384.12430	100.0
385.12756	12.5
428.15942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74755	26.7
56.27819	29.1
56.30757	24.5
59.00596	22.9
59.01394	43.0
61.96699	25.0
61.98811	49.2
69.43963	100.0
75.82633	20.4
79.94577	25.4
83.99591	25.0
220.05963	26.3
256.66162	25.2
321.51151	26.3
336.43677	30.0
385.77032	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
59.01387	100.0
60.16311	2.3
61.98839	3.1
69.03474	3.1
71.01383	24.4
71.57233	2.4
73.02948	21.4
79.95766	3.7
83.01360	5.3
85.02969	9.7
87.00912	3.9
89.02462	18.9
94.53754	2.3
96.38760	2.1
96.96024	6.0
97.49992	2.2
101.02452	24.6
107.01373	2.5
108.02209	4.5
109.63253	2.3
111.00899	3.1
113.02457	10.2
117.01945	2.5
119.03528	8.0
119.05067	3.6
123.04543	5.7
125.02433	3.4
133.03001	2.2
135.04549	2.5
135.08064	3.1
139.00391	4.6
139.03934	2.9
142.46558	2.1
143.03557	4.1
149.04529	2.2
152.01114	2.8
161.02505	5.9
161.04619	5.2
163.11334	30.5
167.03491	18.1
171.75514	2.5
179.05650	11.1
199.75653	2.7
260.64441	2.6
267.12338	2.6
271.06256	2.3
275.07013	2.7
356.07175	2.5
369.15521	3.5
387.16809	6.8
428.15707	15.5
429.08752	4.0
429.17841	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0828
Annotation	Chrysin 7-glucuronide
Peak:m/z	Relative Intensity
55.01878	0.6
57.03450	2.6
58.52270	0.2
59.01382	11.1
63.02400	4.3
65.00333	1.9
67.01875	0.4
68.99830	0.5
71.01388	8.0
72.99313	1.4
73.02953	0.8
75.00879	4.1
81.59582	0.2
82.45844	0.2
83.01400	1.0
84.02168	0.3
85.02956	17.5
86.03297	0.5
87.00877	2.9
89.00343	0.3
89.02437	1.5
95.00768	0.2
95.01393	5.9
98.21815	0.5
99.00890	6.9
99.01538	0.3
101.03969	0.4
103.00380	2.5
107.01398	2.1
108.30782	0.2
111.00887	0.4
113.02457	30.5
114.02771	0.7
115.00375	1.5
117.01961	2.0
119.05017	0.7
126.43180	0.2
129.01944	1.6
132.73804	0.2
140.03500	0.2
142.64148	0.2
143.05028	3.3
145.02962	0.9
151.00334	0.9
157.01379	0.6
157.06485	0.2
165.07077	0.7
167.05040	0.6
175.02487	6.5
180.05855	0.5
181.06633	0.6
183.04680	0.3
185.06102	0.8
187.03984	0.4
201.14894	0.2
209.06139	2.5
211.04033	0.7
219.15805	0.2
220.88756	0.2
225.05594	0.3
253.05072	100.0
254.05394	8.0
429.08032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35612	2.1
65.00327	6.5
82.31017	2.5
92.57390	2.5
94.00587	2.9
106.00601	8.2
113.02441	2.8
115.05546	4.2
134.00110	15.9
141.07126	8.5
143.05058	21.8
161.99600	16.9
165.07065	4.8
167.05040	10.6
169.06549	3.6
170.80103	2.6
171.04524	7.3
172.73372	2.5
173.06058	2.8
185.06049	14.3
189.99086	62.2
197.06046	3.0
200.07153	2.3
202.99896	6.7
209.05995	5.5
225.05606	5.2
251.03484	3.4
253.05119	23.9
266.05801	9.0
270.07715	4.0
279.03079	6.1
287.10690	3.3
294.05356	53.7
295.05554	4.9
304.23557	2.5
315.10251	4.7
329.11786	3.9
339.10162	3.1
357.11356	91.7
358.11685	7.7
367.09775	5.7
385.10806	100.0
386.11102	11.0
429.09720	36.4
430.10355	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	429.1192
Annotation	4'-O-Methylpuerarin
Peak:m/z	Relative Intensity
56.79102	0.8
57.03444	3.3
59.01385	17.9
59.35313	0.8
65.00321	1.5
68.09574	0.9
68.99828	1.8
69.47766	3.9
71.01393	15.3
72.99322	2.4
73.02947	2.5
75.00874	7.4
83.01380	1.1
85.02957	27.6
87.00900	4.3
89.02430	2.5
95.01398	10.2
99.00888	11.4
101.02439	1.2
103.00378	4.4
111.00900	1.5
113.02460	56.6
115.00379	2.7
117.01949	3.8
121.02998	1.0
129.01952	2.3
150.55925	0.9
157.01375	1.1
167.08662	7.7
169.06630	4.1
175.01149	1.6
175.02510	15.1
176.52893	0.9
181.06535	1.4
193.06621	7.8
209.06071	3.1
211.07666	32.6
212.07913	2.2
234.15703	1.0
237.05600	7.9
253.05093	11.8
253.08710	100.0
254.05341	1.4
254.06598	0.9
254.09047	7.9
429.11847	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	429.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01384	0.7
59.01379	1.8
61.56042	0.6
61.98836	1.0
65.00325	2.5
69.36500	2.5
69.36909	1.3
74.66890	0.6
92.99775	0.7
99.92599	2.5
100.93334	3.5
107.90826	0.8
109.02997	0.7
115.92064	2.8
116.92881	6.8
117.03461	1.3
119.05018	2.3
133.02972	28.4
134.03349	0.8
135.00885	2.6
135.04523	3.4
136.98813	2.5
144.11226	0.8
155.04944	0.7
159.04527	1.7
161.06351	0.6
163.00380	6.0
163.86542	0.7
164.98260	5.3
171.04518	1.3
175.04021	1.2
181.01509	0.9
183.04613	0.9
187.03906	1.0
189.05302	0.7
192.29465	0.7
199.04019	27.9
200.04451	1.8
201.01999	6.6
213.01941	0.9
215.03647	0.8
227.03523	9.0
243.02997	8.9
253.01466	1.1
255.02992	5.1
271.02499	11.3
272.02893	0.8
281.00983	0.7
282.01535	1.6
287.05609	0.8
299.01996	64.9
300.02417	8.1
301.03378	0.7
325.07410	1.4
333.37787	0.8
335.10773	0.8
375.12848	2.0
377.65616	0.7
393.13980	0.9
397.09293	45.7
398.09747	4.7
398.56735	0.7
411.10556	0.9
429.11896	100.0
430.12262	11.7
435.95117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.0
61.98837	8.0
70.98063	1.6
76.14542	1.1
82.39731	1.1
83.01360	1.2
84.60763	1.0
84.93837	2.7
87.00846	1.2
93.03424	1.4
95.01380	3.8
99.91981	2.1
99.92596	26.8
100.92751	1.0
100.93375	23.8
101.04977	1.1
101.93370	1.7
109.02939	6.1
110.00071	1.5
115.92087	33.1
116.92870	64.5
117.03465	2.2
117.92863	3.3
119.01347	2.3
119.05052	1.8
123.00895	9.9
127.69622	1.1
129.27313	1.2
132.02177	1.1
133.02972	67.3
134.03262	2.6
135.04486	6.4
137.02469	9.2
147.00873	4.1
151.04001	2.7
161.02489	2.1
165.01952	24.5
165.03311	0.8
175.03937	3.1
177.01875	3.3
187.03967	2.0
199.03999	2.0
201.01872	1.9
203.03395	1.1
211.03854	1.6
225.05408	1.6
227.03445	2.1
239.03459	1.8
243.03017	1.4
253.05205	2.1
255.03134	5.5
256.03735	1.2
257.04428	2.0
264.04257	1.3
266.05795	1.3
267.03323	2.3
267.09158	1.3
271.02472	1.1
283.02383	5.2
293.04877	8.2
293.10342	1.7
294.05316	1.7
299.01895	3.2
300.02490	1.7
321.23563	1.3
329.23032	1.7
353.09995	2.1
369.02615	1.3
375.12680	15.2
376.12692	1.5
389.10553	2.1
393.13766	20.4
394.13770	3.8
397.09338	8.1
398.09454	1.5
407.11819	8.1
408.11584	1.2
411.10068	1.7
411.14813	3.3
429.11688	100.0
430.12149	14.6
430.17279	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35582	2.6
59.01382	4.1
61.98831	15.7
65.00333	5.3
67.01914	4.5
67.04387	2.7
68.99809	4.0
76.80427	2.8
83.01399	51.2
85.77666	2.8
87.04538	5.4
92.99762	3.1
93.03490	18.9
95.01411	6.9
97.06607	7.7
98.21898	6.3
107.05026	5.1
109.02955	6.4
109.06607	4.1
111.00898	7.7
113.02469	3.0
113.14101	2.9
115.04028	24.3
117.03482	40.9
117.22213	2.8
119.05034	9.0
121.02973	3.2
121.06634	7.9
122.54306	2.6
123.04569	3.7
125.02473	17.1
127.04025	12.2
133.02956	7.0
135.04549	30.8
136.98860	6.9
137.02504	3.1
137.06120	3.2
139.04059	28.0
139.07635	4.6
143.05043	2.9
144.79015	2.8
147.08131	3.3
149.10167	3.3
151.04022	8.6
159.04558	7.6
161.02461	25.2
163.03990	9.4
163.07690	12.2
164.04871	3.3
165.05553	3.6
167.03517	6.1
179.07114	14.6
179.60957	2.9
181.05083	100.0
182.05426	2.8
187.03938	4.2
189.05588	6.6
191.07106	16.6
193.05106	9.4
203.01691	3.2
203.03555	12.5
203.07323	3.4
215.07074	4.3
219.03136	3.7
221.08208	5.7
223.09846	3.2
225.07709	7.5
225.12653	2.8
231.06766	2.9
233.08167	18.6
235.06197	14.0
242.16389	3.0
249.07695	8.0
255.02985	24.0
259.06302	6.5
267.08749	22.9
270.01627	3.1
277.07318	3.7
287.05655	20.2
298.01242	3.9
299.01892	4.7
309.10016	45.6
320.02084	3.0
325.96008	2.8
353.10355	9.0
397.09167	19.3
429.11868	43.1
430.12390	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96830	0.4
59.01383	1.4
64.22258	0.4
65.00336	0.7
67.49377	0.5
68.99833	0.6
69.86060	0.6
69.86382	1.2
71.01386	0.6
75.00851	0.5
91.50727	0.5
93.03470	0.6
95.01419	0.7
97.06590	0.8
99.04544	0.8
109.02960	6.7
115.03982	0.6
117.03488	1.8
119.05042	1.0
123.04551	0.6
123.08145	0.6
129.30823	0.5
132.02180	1.2
133.02975	55.5
134.03246	2.4
134.06133	0.5
135.04565	3.4
147.04648	1.1
149.06116	0.6
151.04022	3.7
151.07680	0.7
153.01950	0.5
153.05699	0.5
159.04376	0.6
161.02469	1.5
161.06010	1.0
163.04030	1.1
163.07677	0.6
165.05472	0.9
173.06071	1.7
174.03323	0.7
175.04037	4.8
175.07677	0.7
177.01939	1.5
181.05136	0.8
185.02463	0.5
187.04059	0.8
189.05583	0.8
191.07161	0.9
195.02890	0.6
198.03148	0.5
199.04013	0.8
201.00279	0.7
201.01936	3.9
203.03481	1.1
203.07234	1.0
207.06651	5.5
211.04057	0.5
217.05048	1.2
217.08737	0.5
219.06659	0.7
221.08167	1.1
224.04797	0.5
227.03590	1.1
231.06625	3.4
236.04749	0.6
237.05609	0.7
239.03558	0.6
243.03127	0.5
247.06133	1.3
248.04616	0.6
249.07704	7.8
250.08324	0.6
253.05095	1.1
253.08777	0.6
255.03166	0.9
255.06636	0.7
259.05954	0.7
261.07736	0.7
265.08493	0.6
269.04544	1.4
273.04086	0.5
275.05646	4.6
279.06610	1.0
280.03897	1.6
281.04688	0.6
281.08319	1.5
291.06650	0.6
297.07642	3.4
299.01892	0.8
300.02615	1.0
308.06641	0.7
309.04645	0.6
309.07742	3.0
311.05792	1.4
323.05560	1.8
327.04993	1.0
339.05106	1.6
339.08826	1.6
341.06720	0.8
341.10452	1.5
351.08731	1.2
353.06683	1.0
353.10400	3.2
355.08252	2.5
367.08078	1.2
369.09726	0.9
379.08313	1.3
385.09305	3.8
397.09375	3.6
411.10867	2.6
429.11942	100.0
430.12222	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	429.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32960	0.4
59.01389	1.7
59.09846	0.4
67.01889	0.5
69.11342	3.0
71.01403	0.6
78.56588	0.4
79.64682	0.4
90.32801	0.4
96.96026	1.2
97.06606	0.7
101.02438	0.5
109.02954	4.6
117.03469	0.5
118.10426	0.4
118.94382	0.4
119.05025	1.0
125.67079	0.4
132.02161	1.9
133.02974	59.5
134.03328	1.9
135.04518	2.0
136.01746	0.5
145.02951	0.8
147.04546	0.7
151.04045	2.0
159.04549	0.7
161.02455	1.1
165.05550	0.9
173.06175	1.0
174.03244	0.8
175.04008	5.1
177.01935	1.0
179.07112	0.8
181.05092	0.6
187.04092	0.9
189.05589	1.0
191.03444	0.5
191.07193	0.7
196.05344	0.5
199.04079	0.9
201.01929	3.6
203.03517	1.4
203.07166	0.6
207.06651	2.8
211.04263	0.6
217.08832	0.8
219.06619	0.6
224.04651	0.5
225.05434	0.6
227.03503	0.6
229.04861	0.5
231.06631	1.5
233.08176	0.6
239.03578	0.5
247.05928	0.6
249.07770	3.9
251.03456	0.5
253.05023	0.6
253.08893	1.0
255.03084	1.2
256.03793	0.5
261.07745	0.7
264.04306	0.8
265.08771	0.8
267.06442	0.7
269.04599	1.6
271.02600	0.7
275.05655	2.0
279.03088	0.6
279.06702	0.7
280.03854	0.7
281.04626	0.8
281.08124	1.3
283.09558	0.5
295.02426	0.5
297.04459	0.6
297.07712	4.9
299.02084	0.8
300.02820	1.1
301.03415	0.5
307.06293	0.9
309.04333	0.8
309.07730	2.6
311.05539	0.8
323.05591	2.8
325.07050	0.8
325.10776	0.8
327.05200	1.6
329.06870	0.6
339.04932	1.0
339.08701	1.1
341.06628	1.1
341.10126	0.9
351.08722	0.5
353.06534	1.1
353.10391	1.8
355.08282	3.3
367.08344	1.0
379.08221	0.5
385.09436	0.8
397.09393	2.0
411.10776	2.3
429.11938	100.0
430.12238	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	429.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87167	0.4
58.29313	0.6
59.01375	2.7
61.98820	0.9
67.01890	0.6
69.53954	2.3
75.00894	0.6
78.52965	0.5
79.63325	0.5
83.68456	0.5
89.61459	0.5
90.35059	0.5
95.05069	0.6
96.96011	2.0
99.04525	0.6
105.08424	0.5
108.02200	0.6
109.02960	10.4
119.05039	0.8
121.33774	0.5
123.04456	0.8
129.40457	0.5
132.02173	1.4
133.02966	58.4
134.03340	2.0
135.04539	2.1
147.04514	1.2
148.05223	0.8
151.03993	3.3
161.02422	1.5
161.06093	0.6
173.02570	0.5
173.06032	0.9
174.03223	0.8
175.04022	3.8
177.01929	1.3
178.99860	0.6
179.07133	1.1
181.05125	0.8
187.04016	0.8
189.05684	0.8
191.07169	0.7
199.04015	1.6
201.01945	3.7
201.05630	0.6
203.03531	0.8
203.07175	0.6
207.06602	5.4
209.05992	0.6
211.03983	1.1
213.05530	0.5
217.05133	0.9
217.08667	0.5
221.08223	0.8
224.04695	0.5
225.05542	0.9
227.03549	1.1
231.06653	2.4
243.03014	0.9
243.06664	0.6
249.07663	7.0
253.05159	1.4
255.03017	0.7
257.08072	0.7
265.05057	0.9
265.08481	0.8
275.05710	3.4
275.08435	0.6
279.02991	0.7
281.04813	0.8
281.08218	1.4
297.04474	0.6
297.07681	2.4
298.08371	0.7
299.02164	0.7
300.02698	2.0
307.06061	0.6
309.07675	2.9
311.05646	2.2
323.05554	0.7
323.09106	1.0
325.55914	0.6
327.05139	0.7
335.09470	0.8
339.05197	1.9
339.08762	1.9
341.06497	1.5
341.10339	1.2
351.08813	0.8
353.06540	1.3
353.10342	5.2
355.08301	0.8
367.08057	0.9
369.09866	1.0
379.08392	0.8
383.11005	0.6
385.09174	2.5
386.09570	0.7
397.09268	4.2
407.20227	0.6
411.10895	4.1
429.11905	100.0
430.12234	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	429.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37556	0.3
59.01392	1.7
61.98838	7.9
69.42570	1.0
69.42964	0.8
71.01392	0.5
79.16744	0.3
88.04047	0.5
101.02438	0.5
109.02936	0.4
111.02023	0.9
111.13220	0.3
121.02974	0.9
127.05185	0.5
133.02975	1.8
134.03754	47.0
135.04008	2.2
137.02469	5.3
139.04045	1.4
145.06236	0.5
149.06094	14.7
150.06435	0.4
161.02467	1.5
161.94046	0.4
164.58569	0.3
165.01913	0.4
175.02629	0.4
178.02734	30.2
179.03162	1.4
193.05070	100.0
194.05402	5.6
243.96843	0.3
267.08859	0.5
284.03259	0.4
429.13974	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	429.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.0
61.98833	5.8
70.10516	1.4
70.10846	1.8
72.00920	8.5
74.02481	17.5
76.66338	0.9
78.95926	1.8
108.45653	0.9
116.05071	56.0
117.05432	2.1
128.03555	1.9
129.05843	1.6
130.06641	15.9
136.17958	1.0
142.06628	13.5
157.07747	1.3
158.08073	1.0
159.09261	10.9
161.04810	1.1
186.05635	1.6
194.25359	1.0
203.08275	100.0
204.08653	5.4
225.06467	71.1
226.06808	4.8
279.07892	1.1
320.35522	1.1
429.09604	1.6
429.15427	24.9
430.15750	2.9
437.30258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19395	0.7
54.38686	0.7
59.01389	3.9
65.00331	1.3
67.01866	0.7
69.71883	1.6
69.72247	1.6
71.01387	1.3
79.95747	3.1
83.01402	1.0
93.03465	3.6
96.22803	0.8
96.96023	100.0
97.02956	1.7
99.04528	1.7
109.02991	1.3
110.00131	0.9
111.00903	0.9
113.02487	1.5
117.03483	10.2
119.05059	5.2
121.02938	0.9
123.00910	0.8
123.04513	0.8
125.00112	4.3
133.02963	7.8
134.03807	0.8
135.04538	12.6
136.98843	2.1
139.04010	0.9
149.06105	1.0
159.04526	1.8
161.02480	1.9
163.00510	0.7
163.07564	1.3
173.06096	0.8
174.03198	0.8
175.03934	1.3
177.01750	0.7
178.99933	0.9
181.05067	1.6
185.02512	1.6
187.07870	0.9
189.05560	2.3
191.07159	1.2
193.04944	1.0
201.02022	1.4
203.03528	2.0
217.05077	0.9
227.03531	1.1
239.07076	0.7
243.03052	1.2
246.98444	1.2
249.07663	1.5
255.02943	1.0
255.06796	0.9
257.39838	0.9
287.20215	32.0
288.20490	4.1
299.02026	1.4
300.02689	1.4
305.21201	3.1
315.05228	0.9
331.19171	29.7
332.19446	4.0
335.09335	1.0
339.05246	0.8
341.94348	0.9
349.20224	17.4
350.20428	2.2
351.08539	1.3
353.10272	2.1
360.00800	1.2
369.09723	2.0
369.97687	1.9
397.09396	3.2
401.12225	1.2
411.10645	3.5
411.15396	4.4
413.98022	4.1
414.03259	0.8
428.99979	2.9
429.11539	22.8
429.16162	4.2
429.21689	9.6
430.12253	3.3
430.22076	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	429.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33893	1.1
59.01375	1.9
60.62633	1.0
61.98834	3.2
65.00330	1.3
66.99683	1.0
69.05701	8.3
72.99363	1.0
84.93877	7.1
93.03477	1.3
99.92597	48.3
100.92672	3.7
100.93374	45.0
101.93418	3.2
107.01437	1.1
115.92098	51.6
116.92216	3.6
116.92876	100.0
117.03494	2.9
117.92866	5.2
123.00901	1.2
133.02971	16.5
135.04535	5.2
136.98807	2.1
144.95857	1.2
159.04539	2.0
163.00392	3.2
164.98260	2.2
165.01974	1.4
175.04033	1.4
189.05624	1.1
191.07085	1.3
199.04063	12.7
201.01964	2.2
203.03505	2.8
227.03540	2.6
239.06660	1.0
243.03076	2.7
245.72377	1.2
249.05795	1.3
255.03067	2.5
261.07556	1.1
265.05295	1.1
267.03284	2.8
271.02518	4.5
293.04898	13.7
294.05200	2.4
299.01996	27.7
300.02521	3.0
310.05276	1.2
325.07263	1.2
375.12720	24.9
376.12936	4.1
389.10568	4.0
393.08810	2.1
393.13821	36.7
394.14026	6.1
397.09305	17.7
398.09763	3.1
407.11819	10.3
408.11850	2.0
411.10306	1.6
411.14859	3.9
429.11813	43.4
429.16107	19.7
430.11075	5.2
430.17188	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	429.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19395	0.7
54.38686	0.7
59.01389	3.9
65.00331	1.3
67.01866	0.7
69.71883	1.6
69.72247	1.6
71.01387	1.3
79.95747	3.1
83.01402	1.0
93.03465	3.6
96.22803	0.8
96.96023	100.0
97.02956	1.7
99.04528	1.7
109.02991	1.3
110.00131	0.9
111.00903	0.9
113.02487	1.5
117.03483	10.2
119.05059	5.2
121.02938	0.9
123.00910	0.8
123.04513	0.8
125.00112	4.3
133.02963	7.8
134.03807	0.8
135.04538	12.6
136.98843	2.1
139.04010	0.9
149.06105	1.0
159.04526	1.8
161.02480	1.9
163.00510	0.7
163.07564	1.3
173.06096	0.8
174.03198	0.8
175.03934	1.3
177.01750	0.7
178.99933	0.9
181.05067	1.6
185.02512	1.6
187.07870	0.9
189.05560	2.3
191.07159	1.2
193.04944	1.0
201.02022	1.4
203.03528	2.0
217.05077	0.9
227.03531	1.1
239.07076	0.7
243.03052	1.2
246.98444	1.2
249.07663	1.5
255.02943	1.0
255.06796	0.9
257.39838	0.9
287.20215	32.0
288.20490	4.1
299.02026	1.4
300.02689	1.4
305.21201	3.1
315.05228	0.9
331.19171	29.7
332.19446	4.0
335.09335	1.0
339.05246	0.8
341.94348	0.9
349.20224	17.4
350.20428	2.2
351.08539	1.3
353.10272	2.1
360.00800	1.2
369.09723	2.0
369.97687	1.9
397.09396	3.2
401.12225	1.2
411.10645	3.5
411.15396	4.4
413.98022	4.1
414.03259	0.8
428.99979	2.9
429.11539	22.8
429.16162	4.2
429.21689	9.6
430.12253	3.3
430.22076	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74030	0.6
55.01877	1.2
57.03445	2.3
59.01385	56.4
59.16834	0.6
65.00319	3.7
69.95300	1.7
71.01390	45.8
72.01707	0.6
72.32680	0.6
72.99305	0.9
73.02950	3.2
75.92777	0.6
80.79217	0.7
83.01395	3.0
85.02959	32.4
86.03284	0.8
87.00893	2.1
89.02451	28.0
95.01398	14.1
97.02968	3.7
99.00893	1.5
101.02457	9.7
103.04024	2.4
113.02462	100.0
114.02809	2.8
117.03479	2.1
119.03518	6.8
119.04978	0.6
131.03534	1.8
135.04544	9.0
136.98834	5.4
143.03522	4.7
146.86575	0.6
148.75850	0.7
149.06067	0.7
151.04028	0.9
159.04539	0.9
161.02538	1.1
161.04578	18.3
163.06136	1.8
167.03583	0.7
169.01427	7.1
174.03197	0.9
179.05626	2.6
181.05110	2.7
193.05063	0.7
211.02478	2.3
225.07675	1.5
240.33008	0.7
267.08762	1.1
268.35297	0.7
299.01978	2.5
309.10190	0.8
331.04669	1.7
332.05258	1.2
390.13318	0.7
393.17682	2.7
397.09344	0.9
429.11990	4.1
429.17764	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	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63935	1.5
59.01386	100.0
71.01389	38.7
73.02956	4.1
83.01432	1.9
85.02950	9.1
87.00884	2.1
87.29257	1.7
89.02455	46.2
95.01392	4.1
96.96012	2.6
98.22649	7.7
99.04536	7.0
101.02456	24.3
113.02468	18.2
117.09991	1.5
119.03513	18.3
126.80655	1.7
129.38533	1.5
131.03543	2.6
143.03513	3.4
149.02489	2.2
149.04494	1.6
161.04593	3.5
161.13367	15.2
179.05605	7.1
183.44987	1.6
187.11377	2.2
205.12349	38.5
206.12827	3.3
225.14961	4.0
249.11317	46.6
250.11736	4.2
301.45575	1.6
310.08698	1.9
345.06000	2.7
347.06573	5.1
368.63000	1.8
385.13120	1.8
387.20279	7.0
429.17310	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01385	100.0
59.47343	1.3
69.06923	10.6
71.01389	42.8
72.99294	1.6
73.02951	3.0
81.07067	2.9
82.37862	1.6
85.02949	6.9
87.00861	1.9
88.82302	1.4
89.02457	54.7
95.01392	3.2
99.04544	7.6
101.02464	24.2
109.02949	3.3
111.04500	2.6
113.02471	15.3
117.03474	3.5
119.03521	22.7
119.26565	1.4
131.03539	1.8
133.02972	38.4
135.04550	10.9
137.02466	1.5
138.94817	1.7
143.03545	4.6
151.03961	2.2
161.02388	1.6
161.04526	3.1
161.13377	20.2
166.75954	1.3
168.84517	1.4
174.07092	1.5
175.04042	3.0
179.05598	6.5
179.07011	1.6
181.05132	2.6
182.03540	1.6
187.11220	5.5
201.01833	3.9
203.03561	2.0
205.12338	58.3
206.12640	3.9
207.06577	1.8
249.07596	3.6
249.11340	62.7
249.13988	3.0
250.11711	4.6
294.87268	1.5
297.07660	4.4
309.07544	1.9
323.05795	2.0
353.10397	3.3
397.09433	3.7
410.63736	1.6
429.11841	60.0
429.17642	18.8
430.12100	6.3
430.17523	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73315	0.4
50.83507	0.4
51.80660	0.4
59.01386	100.0
60.01713	0.8
62.01699	0.4
62.88821	0.4
65.00327	3.6
69.03477	0.6
69.28263	2.4
71.01385	6.7
73.02955	16.0
74.91264	0.5
83.01392	3.4
85.02962	1.4
87.00876	0.6
89.02457	2.8
93.03485	3.0
93.88518	0.5
95.01424	1.0
101.02454	8.9
107.05025	0.6
111.00909	2.3
113.02448	2.7
115.04029	0.5
117.03484	6.9
118.03786	0.5
119.03543	0.6
119.05022	0.6
121.06600	0.6
123.04578	1.1
131.03506	0.4
133.02927	0.9
135.04536	8.0
136.98820	9.8
139.04022	1.0
143.03467	0.5
147.04582	1.4
147.38869	0.4
149.06093	0.5
150.11601	0.6
151.03958	0.5
154.09645	0.4
159.04538	4.4
161.02458	2.2
161.04604	1.1
163.07675	1.9
163.11292	5.2
169.01439	0.7
178.99854	0.7
179.07149	3.0
181.05081	5.0
189.05533	1.0
191.07176	3.0
193.05089	0.6
203.03502	6.2
207.07079	0.4
207.10283	10.7
208.10695	0.6
215.07104	0.5
223.06087	0.7
225.07751	1.3
233.08197	1.9
235.06123	2.3
237.05566	1.5
249.07715	0.9
267.08813	2.3
271.20081	0.5
277.07175	0.6
281.08148	0.7
299.01962	0.9
309.09848	4.0
353.10226	2.2
369.15469	2.2
387.16635	6.4
388.16669	0.5
397.09250	1.9
429.12012	5.5
429.17633	53.3
430.12576	1.0
430.18027	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01713	0.9
64.03163	0.6
66.73414	0.7
69.03461	1.0
69.87827	2.4
70.84453	0.7
71.01392	11.6
73.02952	34.6
78.23717	0.7
83.01401	8.3
85.02471	0.7
85.02969	2.5
89.02446	3.9
92.05067	1.5
93.03476	0.9
97.02956	1.0
99.00901	0.8
101.02451	18.2
108.02199	1.0
109.06617	0.7
113.02484	4.5
119.03474	1.2
131.03535	0.8
135.04549	1.5
136.04062	3.6
136.98840	1.4
143.11972	1.0
147.08218	1.7
152.01160	1.5
160.85382	0.8
161.02739	0.8
161.04616	2.0
163.11299	51.0
164.11682	2.2
167.03491	2.6
173.38972	0.7
181.05145	0.9
203.03496	1.0
203.90715	0.9
207.10207	0.8
369.15598	4.4
387.16632	10.9
388.16901	1.0
429.17682	80.4
430.17932	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	429.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35336	0.4
53.25948	0.5
55.72192	0.4
69.77990	1.5
79.74255	0.4
98.21970	0.4
98.88486	0.4
99.00896	0.7
99.92593	8.2
100.93373	58.7
101.93382	2.5
115.92088	100.0
116.92097	5.4
116.92883	8.3
132.92365	1.1
140.39415	0.4
142.94389	0.5
155.95256	0.5
159.58275	0.4
172.95473	5.9
205.80547	0.4
211.48820	0.5
255.23331	0.8
298.89389	0.5
355.16013	0.8
420.69696	0.5
427.93106	0.5
429.19641	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	429.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.9
69.97186	1.5
71.40918	1.4
73.74077	1.3
74.96173	1.7
96.96018	4.8
99.92626	3.5
102.20398	1.3
116.96535	1.6
116.97276	18.6
118.89967	1.7
119.44586	1.6
135.04517	1.3
139.11325	3.1
171.10310	6.7
193.12343	4.1
211.13370	1.4
216.73705	1.6
217.85725	1.5
233.11533	2.2
293.21259	10.9
295.71771	1.5
311.22321	17.5
315.19318	5.4
347.31296	1.5
369.18158	100.0
370.18478	10.2
429.20245	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80270	0.7
59.01377	2.5
70.47915	0.8
83.06155	1.7
87.60674	0.8
95.43824	0.6
98.22696	0.9
111.00903	1.3
114.05627	2.6
117.00461	1.1
131.08275	100.0
132.08606	2.6
141.05211	1.3
150.05231	2.9
154.01086	1.6
156.07782	9.1
168.01524	1.1
172.01059	4.0
173.10445	50.7
174.10794	1.0
178.04745	2.3
185.00554	2.7
187.45988	0.8
194.04305	0.9
194.07780	1.1
196.05797	36.4
196.07616	1.7
197.05975	4.8
201.02565	0.9
205.05843	0.9
210.02544	3.4
214.05704	1.2
220.06813	1.8
221.72572	0.8
227.05295	1.9
231.08452	1.3
238.06850	14.3
239.06926	1.7
244.07899	0.9
254.04637	0.9
255.09520	7.1
293.11023	0.7
310.13733	21.8
311.13907	2.8
327.16196	3.9
335.13327	6.1
336.13416	1.9
352.03833	0.8
352.15894	18.7
353.15991	2.2
369.18530	40.3
370.18716	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	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77654	0.4
58.99603	1.1
59.01385	100.0
60.01721	0.8
60.99200	1.7
71.01391	8.4
72.99310	0.4
73.02954	13.1
74.99136	0.5
75.00906	0.4
77.91796	0.4
79.95757	1.8
83.01399	2.9
83.69913	0.4
85.02967	1.5
87.00898	1.7
89.02451	3.0
90.19290	0.4
93.03474	1.9
96.96032	1.5
99.00898	0.5
101.02444	7.9
108.02200	0.5
109.02972	0.5
111.00935	0.4
113.02477	2.4
119.03512	0.9
121.25626	0.5
123.04525	0.6
125.02466	0.8
132.98212	1.2
135.04552	1.0
137.02434	0.9
139.00374	0.6
151.03848	0.5
158.99742	1.0
161.02438	0.6
161.04588	1.1
163.11292	2.5
167.03520	1.5
171.04675	0.4
174.99257	5.2
180.06664	0.6
207.10287	8.3
207.13815	0.4
208.10588	0.4
221.01265	0.8
222.08902	0.5
223.09520	0.5
228.98048	0.5
249.06262	0.6
249.09724	0.5
263.02423	3.8
299.01843	1.0
300.05188	1.0
314.04178	0.5
323.04666	0.6
369.06567	0.5
369.11493	0.5
369.15771	1.7
387.16632	5.1
429.17731	43.4
430.18164	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53539	0.3
59.01385	100.0
60.01725	1.0
60.48566	0.3
60.80811	0.3
65.00337	0.8
69.17390	2.1
71.01385	5.6
73.02955	12.8
76.53062	0.3
83.01390	2.6
85.02969	0.7
87.00891	0.4
89.02454	2.4
93.03452	2.1
98.21892	0.7
101.02444	6.6
111.00923	0.7
113.02452	2.3
117.03470	1.6
119.03497	0.4
121.61312	0.3
131.03502	0.6
135.04515	2.3
136.98831	2.4
147.04590	0.5
159.04536	1.0
161.02567	0.5
161.04591	0.8
163.07748	0.6
163.11327	2.9
166.92264	0.3
179.07137	0.7
181.05119	0.7
191.07210	0.7
203.03517	1.0
207.10281	7.7
208.10648	0.5
235.06056	0.4
259.02518	0.4
267.08755	0.6
309.09848	1.0
310.10193	0.4
347.47504	0.4
353.10297	0.7
369.15765	2.0
387.16647	4.1
388.16937	0.8
397.09122	0.5
429.12747	1.5
429.17676	39.8
430.18027	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11216	0.6
57.03460	1.2
59.01385	100.0
60.01709	0.8
71.01392	6.7
73.02954	1.3
81.22109	0.6
83.01411	1.0
85.02978	2.3
89.02451	4.2
99.00912	0.6
101.02455	4.3
108.02229	1.1
109.02966	1.4
113.02467	5.9
119.01875	0.5
119.03537	2.0
123.04572	2.0
124.09474	0.5
131.64037	0.6
133.02980	0.8
135.04533	0.6
137.02519	0.7
153.02020	1.7
161.02486	0.9
161.04564	1.1
166.02798	0.9
167.03549	3.8
167.41612	0.7
171.04271	0.7
179.01736	0.6
209.04536	2.9
225.15002	0.8
239.05576	0.9
240.06772	0.7
279.11035	1.3
369.19156	2.8
387.20377	1.7
397.11398	1.2
429.13776	9.0
430.14505	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	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01723	1.1
62.96415	0.6
68.76006	0.6
69.34969	2.8
71.01404	3.5
72.91388	0.6
73.02965	1.4
85.02977	1.4
90.42561	0.6
93.03484	1.1
95.01389	1.1
101.02484	1.8
108.47836	0.6
109.02992	2.2
110.94160	0.6
113.02483	1.3
117.03465	5.1
119.05054	1.5
123.00961	1.8
123.19260	0.6
125.00105	4.1
129.56935	0.7
133.02998	6.7
134.03749	0.7
135.04564	4.1
137.02477	1.3
159.04565	0.9
159.08264	0.6
159.45717	0.7
161.04633	1.2
165.01961	2.8
175.04074	1.2
185.02672	1.2
189.05617	0.7
190.90866	0.6
191.07259	1.0
203.03616	1.9
204.92410	0.9
215.07324	0.7
234.05434	0.6
264.26175	0.7
265.14783	0.7
293.10428	0.8
298.90649	0.7
299.02066	1.2
313.03488	0.6
334.98764	1.4
379.08530	1.3
387.20105	0.8
411.10883	7.4
412.11252	1.3
429.11868	16.2
430.12537	2.3
435.91071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52909	0.6
52.09811	0.7
59.01387	100.0
60.01706	0.8
60.50159	0.6
61.98854	1.3
65.00330	5.2
67.01897	0.7
71.01391	6.6
73.02953	6.2
77.04116	0.6
83.01402	2.4
85.02965	2.3
87.00874	0.8
89.02463	3.7
93.03495	2.3
95.01398	1.4
96.14424	0.6
96.18516	0.6
96.96972	0.8
97.02978	2.8
97.06626	1.2
97.29111	0.6
99.00887	1.3
99.04586	1.2
101.02451	5.1
107.05077	1.0
108.02221	1.3
109.02966	4.3
111.00906	2.2
113.02462	3.8
115.03993	0.6
116.97509	0.7
117.03471	4.8
119.03535	0.8
119.05029	4.4
121.03007	0.9
123.00920	2.0
123.04548	3.5
130.08791	1.7
132.02263	0.9
133.02969	22.2
134.03796	1.8
135.04538	41.6
136.04922	2.3
136.98813	7.6
137.02455	2.0
139.00360	0.7
139.03995	1.1
140.01196	0.7
147.04597	2.4
148.05357	0.8
149.06142	1.0
151.00389	1.7
151.04022	5.1
152.01160	0.9
155.03558	1.6
158.91798	2.9
159.04506	4.8
161.02483	2.2
161.04620	1.5
161.06096	1.0
163.04047	1.9
165.00212	0.9
165.05701	1.0
165.99097	1.8
167.01862	0.7
167.03539	2.9
168.00687	0.7
169.01430	5.7
173.06116	1.0
174.03235	3.0
175.04042	2.8
177.02008	1.0
179.07201	1.8
181.01491	1.4
181.05093	8.3
182.02359	0.8
185.02573	1.6
187.04039	1.3
188.92851	4.3
189.05635	0.9
191.07158	2.0
192.99690	3.0
193.05103	1.5
193.08583	0.7
194.99379	1.4
197.04614	0.7
199.04065	0.8
201.01981	1.2
203.03534	3.6
203.07263	1.0
205.05090	0.8
207.06648	5.0
211.02521	1.5
217.05159	1.1
225.07686	4.4
227.03595	1.0
231.06676	2.4
233.08298	1.0
235.06165	1.2
237.05634	1.3
243.03004	1.0
249.07639	8.9
253.05057	0.7
265.08762	0.7
267.08826	2.9
269.04611	0.8
271.02527	0.9
273.04233	0.9
275.05695	5.6
280.03784	0.8
281.08316	1.0
295.10089	0.7
297.07745	0.8
299.02042	4.8
300.02673	1.0
309.07559	1.7
312.45865	0.7
316.00632	1.6
331.04749	3.4
332.05338	1.1
335.09250	1.0
349.03857	2.5
349.57706	0.8
353.10358	2.6
367.08087	1.1
385.09354	4.0
387.20453	0.8
397.09265	7.7
398.09875	0.8
411.11026	1.9
428.99875	1.2
429.12012	27.0
429.17554	2.6
430.12393	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	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51954	1.7
59.01385	100.0
61.98828	6.0
65.30671	1.7
69.81001	4.1
69.81382	3.3
90.97050	1.8
91.04016	1.8
94.21998	1.9
96.96041	4.7
103.64859	1.6
191.77391	1.9
295.22775	11.0
430.18994	2.2
451.98395	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01721	1.4
69.44149	3.6
69.59417	0.7
70.26740	0.7
76.01197	0.7
77.50809	0.7
96.96024	1.1
152.77513	0.7
180.42026	0.8
277.21954	1.4
295.22809	7.2
296.23013	1.0
333.86313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88245	0.8
57.10044	0.8
57.11142	0.7
58.90675	0.8
59.01381	3.8
61.98803	1.1
62.80414	0.9
65.00330	4.4
67.01893	2.7
68.99850	1.1
69.60183	3.2
71.01391	1.7
71.73055	0.9
82.00608	1.8
83.01403	3.7
84.04523	0.9
85.02898	0.9
85.53024	0.9
93.03476	2.3
95.01390	2.3
95.05016	1.0
95.95241	0.9
96.96014	5.6
97.02959	3.8
98.21997	1.0
99.00883	2.5
107.05045	1.4
108.02171	1.3
109.02982	0.9
110.00124	6.9
110.02664	0.8
111.00891	69.9
111.04525	4.9
112.01224	1.7
113.02448	2.7
117.03478	2.5
118.94205	2.5
121.02966	1.2
122.06111	1.1
123.00945	1.9
123.04523	5.5
125.02466	3.1
133.02939	1.4
134.03716	5.0
135.04546	24.9
136.04828	1.2
136.98854	2.5
137.02484	1.6
137.99620	1.7
138.05620	1.3
138.97075	4.6
139.00392	100.0
140.01225	10.7
140.07204	4.5
141.02008	5.5
141.02960	1.2
147.04530	2.0
149.02469	0.9
150.03256	1.3
151.03964	1.2
152.07230	1.5
153.01971	9.5
158.03693	1.3
159.04529	2.2
161.02463	14.1
164.07202	5.6
164.98306	1.8
165.01912	1.2
165.05577	1.2
165.99101	5.8
166.99895	2.2
167.03555	1.4
168.00636	2.1
171.04504	1.8
173.02446	2.0
177.01929	1.3
179.03528	1.1
180.06682	2.0
182.08221	2.5
187.04054	1.6
200.01234	1.5
201.01950	3.6
201.05766	1.3
203.03461	1.1
206.09387	2.6
208.06142	9.9
211.04021	1.0
213.05627	1.9
215.03505	5.7
222.08888	1.2
234.04008	1.4
239.03511	1.5
241.00392	2.3
250.08319	10.0
255.03044	1.6
257.04514	2.5
265.08640	0.9
268.09552	4.2
275.05569	3.5
284.03128	1.1
284.09244	1.1
301.03561	77.4
302.04208	14.9
303.04910	2.1
313.28693	1.0
353.31546	1.1
368.12448	2.1
370.09271	4.0
387.03543	3.4
388.10394	1.4
412.11496	13.9
413.11850	1.4
430.12610	18.2
431.02646	6.8
431.11737	1.9
440.89923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.9
61.98841	4.0
65.00338	3.6
67.01870	2.9
71.01403	6.1
83.01398	5.1
83.06870	1.9
83.47800	2.2
85.03003	3.4
85.25751	1.9
87.00901	2.7
89.02435	5.9
93.03473	2.4
95.01437	2.3
96.95999	1.9
97.02973	4.7
97.61694	1.9
99.00885	7.3
101.02476	4.0
107.99436	1.8
108.02206	2.4
108.04782	2.2
110.00144	10.0
111.00895	81.2
111.04536	4.1
112.01263	2.4
113.02476	2.8
119.05021	2.7
121.03004	2.2
123.00882	2.9
123.04552	9.1
124.16426	2.0
125.02475	5.9
134.03786	4.5
135.04535	25.4
138.99313	5.3
139.00388	100.0
140.01242	12.2
140.07216	5.6
141.01961	6.0
149.04572	2.7
153.01973	8.4
153.05537	2.4
154.34639	2.2
159.04457	2.8
160.55069	2.2
161.02467	17.3
164.07184	3.8
164.98207	2.6
165.99086	6.5
166.99902	3.0
167.03503	3.6
167.19695	2.1
168.00673	2.5
173.02504	2.6
173.89716	2.4
175.03995	2.4
190.05278	2.3
191.05504	2.4
198.43344	2.2
201.01878	4.8
208.06139	8.9
215.03603	5.3
250.08353	8.9
257.04517	4.6
257.70532	2.1
268.09467	5.3
273.04349	2.7
275.05817	3.0
283.02798	2.4
301.03552	90.4
302.04135	19.2
370.09290	6.4
399.21722	2.3
412.11557	15.7
430.12411	18.4
431.16083	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	430.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57022	2.2
59.01378	14.7
61.98810	7.2
65.00317	3.0
71.01382	7.8
73.02937	3.1
82.00575	2.9
83.01417	4.0
85.02985	2.7
88.61757	2.6
89.02438	5.9
95.01374	3.4
96.32061	2.3
96.96986	3.2
97.02945	6.6
99.00878	11.1
101.02435	4.1
110.00091	8.4
111.00887	90.5
111.04507	4.1
113.02479	6.0
122.03731	3.9
123.04516	9.9
125.02463	6.2
126.01884	2.6
129.69437	2.7
133.02995	5.0
134.03743	7.0
135.04518	23.7
136.98825	5.0
137.02470	4.0
137.99623	2.4
139.00386	100.0
140.01237	13.1
140.07208	4.9
141.01927	4.3
147.04465	2.9
153.01941	10.3
161.02443	15.0
164.98364	4.7
165.99057	6.5
167.03511	4.0
175.03984	5.4
199.03960	2.8
201.01985	7.7
208.06148	6.5
209.04576	3.7
215.03505	7.0
250.08311	10.3
275.05627	3.6
301.03564	82.4
302.04251	16.4
302.07361	3.6
303.05240	3.4
370.09198	3.1
391.94150	3.1
412.11462	10.6
413.59659	2.7
430.07526	9.4
430.12592	17.1
431.16000	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	430.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08091	0.6
58.02970	0.9
59.01382	7.8
61.98836	100.0
69.21780	2.9
69.22205	1.0
69.49375	0.5
70.05569	0.5
71.01386	6.5
73.02956	1.9
73.04078	4.6
74.02473	4.6
83.01408	0.9
85.02967	2.7
87.00901	0.8
87.05681	0.6
87.36784	0.6
87.96333	0.6
89.02477	2.0
97.04087	0.9
99.00890	1.1
101.02437	5.3
109.03033	0.6
113.02472	4.3
114.01960	0.6
114.93825	0.6
115.05138	9.4
119.03500	0.7
119.05038	1.4
121.03008	0.6
126.09274	0.6
129.01999	0.7
129.06721	0.7
130.08775	0.9
131.04663	0.6
133.03059	0.7
134.03801	1.4
135.04515	2.4
137.02605	0.8
141.10368	0.9
143.03549	0.6
143.11870	2.8
144.07814	0.7
161.04567	3.2
169.09891	1.9
179.03107	0.9
187.10916	1.1
193.05103	4.7
194.05426	3.7
200.14059	3.7
210.96196	0.6
214.02916	0.6
244.12975	0.9
257.16281	1.3
269.04538	1.3
269.10257	2.8
343.16281	14.3
371.13220	0.5
387.18811	8.1
387.23087	0.6
430.23239	1.0
431.10156	0.7
431.15549	2.6
431.21069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.4
61.98827	17.3
65.00317	6.2
74.80907	3.9
76.83382	4.1
79.67826	4.0
83.01396	7.4
110.00112	21.1
117.03489	7.5
119.05055	8.6
132.32875	3.9
133.02968	27.7
134.03305	13.7
135.04523	35.4
136.98779	5.4
137.99635	4.0
139.00360	5.6
155.76451	4.1
159.04543	5.1
161.02466	5.6
165.01978	4.8
165.99049	18.5
166.99811	4.8
178.99883	5.4
181.01451	6.6
182.02148	7.6
187.04135	4.4
197.04515	4.7
199.04019	6.5
200.04424	4.3
201.02098	4.2
299.01901	11.6
300.02362	17.8
301.03210	11.3
309.09705	5.4
311.09265	5.0
315.05209	7.8
316.05814	15.9
317.06543	6.3
397.09174	4.8
398.09741	32.3
412.11154	6.5
413.12527	28.3
430.12152	100.0
431.13147	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34867	0.7
59.01388	9.7
60.01722	1.3
66.42762	0.8
68.84939	0.7
69.39512	3.9
71.01396	2.5
73.02959	3.4
75.77377	0.7
86.32195	0.8
93.32692	0.8
101.02458	1.7
107.05060	1.0
119.05013	1.0
123.04559	1.8
124.01666	1.6
125.02457	2.6
132.71057	0.8
134.03766	2.9
135.04544	100.0
139.00420	0.9
149.99657	1.1
156.71370	1.0
161.04626	1.0
163.11316	2.8
164.11639	3.0
166.05064	1.1
167.03548	1.0
168.00714	2.8
191.07161	0.9
237.07625	1.6
251.09418	0.8
269.10345	1.8
364.71597	0.8
381.09830	1.7
399.10898	18.9
430.17822	5.7
431.13199	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	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98553	2.1
61.98842	32.0
64.06179	1.6
72.00906	13.1
74.02464	2.0
76.53242	1.7
78.95925	4.3
96.96023	7.7
97.53119	1.8
97.73129	1.7
118.94250	4.0
127.05127	1.9
128.03470	2.4
138.97038	3.5
141.55730	1.9
145.06146	3.8
147.04524	36.4
148.04825	2.9
164.07179	100.0
165.07533	4.0
175.60335	1.8
239.55531	1.6
326.53284	1.9
430.09161	14.3
431.02606	4.7
431.10416	4.1
443.06497	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	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	18.4
69.77338	4.1
69.77704	4.7
71.01384	4.9
73.02957	4.7
77.62913	1.9
83.01396	3.4
83.56854	1.9
85.02959	2.3
98.22559	2.4
101.02455	3.6
113.02453	3.2
119.05045	3.4
123.04488	2.8
123.13447	2.0
128.03513	1.8
134.03793	2.5
135.04544	100.0
137.02475	2.3
161.04497	2.7
164.11575	3.1
165.05591	2.6
197.04530	2.5
199.35602	2.1
250.61435	2.3
269.04538	2.3
296.92981	2.0
299.45453	2.0
388.16858	3.0
399.10861	16.4
430.18057	13.0
430.23560	3.0
431.14041	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	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	18.4
69.77338	4.1
69.77704	4.7
71.01384	4.9
73.02957	4.7
77.62913	1.9
83.01396	3.4
83.56854	1.9
85.02959	2.3
98.22559	2.4
101.02455	3.6
113.02453	3.2
119.05045	3.4
123.04488	2.8
123.13447	2.0
128.03513	1.8
134.03793	2.5
135.04544	100.0
137.02475	2.3
161.04497	2.7
164.11575	3.1
165.05591	2.6
197.04530	2.5
199.35602	2.1
250.61435	2.3
269.04538	2.3
296.92981	2.0
299.45453	2.0
388.16858	3.0
399.10861	16.4
430.18057	13.0
430.23560	3.0
431.14041	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	430.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	10.8
65.39938	12.2
69.34761	57.3
78.95890	28.4
94.63599	10.6
96.96015	100.0
101.64850	11.4
152.99574	38.7
166.33563	12.1
181.90524	11.3
183.01279	24.4
183.94237	13.2
195.06670	18.2
195.32137	11.3
231.07228	12.2
311.16959	70.2
325.18362	13.8
327.20157	10.5
430.02673	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0988
Annotation	Isovitexin
Peak:m/z	Relative Intensity
59.01120	0.1
59.01384	0.9
63.02398	2.0
65.00326	1.9
69.12846	0.4
69.13248	0.4
73.58164	0.2
83.01393	0.6
93.03488	1.1
93.95172	0.1
105.03468	0.5
106.80479	0.1
107.01402	3.3
117.03478	8.6
118.03864	0.2
121.02981	1.2
129.31355	0.2
131.05006	0.2
133.02968	0.2
135.04543	1.5
136.04886	0.1
143.05070	0.2
147.00902	0.2
149.02452	3.2
150.02864	0.2
151.00392	3.5
155.05046	0.4
157.06590	0.4
159.04538	2.3
160.04868	0.2
161.02478	2.4
169.06596	1.1
171.04594	0.2
180.05824	0.5
181.06598	1.2
182.03741	0.3
183.04518	3.3
184.04930	0.2
185.02469	0.2
195.04471	0.3
196.05295	1.4
197.04521	0.1
197.06129	1.7
199.04008	0.5
201.05592	1.4
203.03421	0.3
210.03275	0.3
213.05621	0.4
224.04799	1.0
225.03363	0.3
225.05598	4.5
226.05852	0.3
227.03548	1.1
240.04318	0.8
241.04994	0.6
253.05072	0.5
261.07593	0.2
265.05048	0.2
265.61542	0.1
267.69617	0.1
268.03867	0.9
269.04578	100.0
270.04913	7.7
281.04623	0.2
283.06082	0.4
293.04755	0.2
311.05582	1.3
374.47101	0.1
431.09863	46.3
432.10202	5.2
432.15991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32154	0.2
55.01882	0.5
57.03456	2.5
59.01384	11.4
60.02683	0.2
63.02404	2.7
65.00327	4.2
67.01897	0.8
68.99820	1.0
69.13204	1.2
71.01388	8.6
72.99320	1.8
73.02950	1.2
75.00878	5.2
79.86810	0.2
83.01395	4.3
84.02193	0.5
85.02959	20.5
86.03300	0.4
87.00885	3.2
89.02461	1.5
93.03490	0.5
95.01398	7.4
96.96001	0.2
99.00887	7.6
99.40285	0.2
101.02460	0.6
103.00376	2.6
107.01402	5.9
108.02197	0.6
111.00898	0.5
113.02460	38.2
114.02794	0.8
115.00391	1.7
117.01947	2.2
117.03486	0.9
119.05065	0.3
122.00129	0.2
123.00898	0.4
123.04515	0.3
125.02453	1.1
129.01976	1.8
133.02994	0.6
135.04536	4.6
136.01674	0.8
137.02425	0.2
139.00381	0.6
141.07115	0.8
143.05156	0.2
145.06598	4.3
147.04663	0.2
149.02483	0.3
151.00385	8.5
152.00639	0.2
157.01387	0.5
164.01163	1.3
169.01463	0.5
169.06615	2.3
171.03084	0.2
171.04538	4.7
172.05324	1.4
175.02492	8.5
176.02866	0.2
177.02037	0.3
182.02078	0.3
183.08086	1.0
185.06093	1.7
187.04002	0.3
187.07652	2.0
196.05241	0.2
197.04604	0.3
203.03645	0.2
211.07672	3.0
213.05594	8.5
214.05960	0.7
227.07188	0.9
255.06644	100.0
256.06998	8.4
269.04602	3.2
269.10529	0.2
270.04968	0.2
381.09216	0.2
431.09476	2.2
432.09998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27516	0.5
59.01461	2.5
63.02470	1.3
63.12884	0.6
65.00401	1.1
68.99907	2.3
69.55824	2.2
73.03029	0.7
76.00686	0.6
82.79507	0.5
83.01482	1.4
89.02539	0.6
93.03539	1.3
107.01394	3.3
117.03455	6.2
119.05039	11.3
123.04521	3.0
126.90543	0.7
130.08813	0.6
135.04536	5.8
137.02521	0.6
143.05124	1.3
145.02986	2.7
147.04556	0.6
149.02571	1.6
149.99713	0.9
151.00360	4.8
159.04588	0.9
161.02608	0.7
161.06197	1.3
163.07808	0.5
168.26071	0.6
171.04588	1.1
179.07181	0.6
181.05168	1.9
181.06627	0.6
183.04669	0.9
184.05359	0.7
187.03999	8.8
187.05519	0.6
191.07254	1.1
193.05116	0.6
196.05330	1.1
204.28563	0.6
211.04118	2.2
212.04811	1.5
225.05588	1.6
225.07677	0.6
239.03555	3.6
240.04349	4.9
240.06718	0.6
240.07587	0.5
243.08868	1.4
253.05249	0.6
265.08890	0.6
267.03030	1.4
267.10138	1.0
268.03799	92.4
269.04559	100.0
270.04932	7.3
282.05145	0.8
293.08282	0.7
295.08105	1.0
311.05560	2.2
325.10886	0.9
337.10806	1.5
339.03046	0.8
396.15756	0.8
413.12460	1.2
431.09537	33.4
432.01724	0.6
432.09625	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	431.0985
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
59.05205	0.2
65.00323	0.3
67.01897	1.8
68.55473	0.2
68.99830	0.6
69.06984	1.7
69.07317	0.2
71.38946	0.2
81.03420	0.3
86.50447	0.3
95.01421	1.2
96.89060	0.2
98.21876	0.5
110.00119	1.3
115.05597	0.2
117.03483	0.3
119.01394	0.3
123.00897	0.3
127.05592	0.4
137.02477	2.2
137.99538	0.4
139.00409	0.5
139.05534	0.3
141.07161	0.6
143.05057	0.5
145.02953	0.3
145.06650	0.4
151.05551	0.3
153.07086	0.6
155.05043	0.7
163.00398	4.2
164.00706	0.3
165.01834	0.3
165.99109	0.8
167.05055	0.5
169.06645	2.6
171.04565	4.1
172.05064	0.3
173.06104	0.6
181.06567	1.0
183.04504	0.7
184.05302	0.8
185.06154	0.4
195.04544	0.9
196.05229	0.6
197.06114	7.6
198.03227	0.7
198.06491	0.5
199.04050	1.7
199.93341	0.3
201.05554	0.5
207.04533	0.3
211.04042	0.4
212.04781	0.5
213.05602	2.5
223.03967	0.7
224.04816	0.7
225.05594	3.4
227.03595	0.3
239.03459	1.4
240.04254	1.0
241.05103	2.5
243.06660	0.3
267.02997	1.0
267.99475	0.3
268.03784	14.7
269.04562	100.0
270.04938	7.7
339.66742	0.3
431.09863	24.1
432.10193	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	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17968	1.9
52.91822	1.7
57.03437	3.0
59.01389	19.1
66.00045	2.1
69.93716	2.8
69.94024	3.6
71.01391	14.3
73.02935	2.1
75.00870	6.4
80.44041	1.9
80.77009	2.0
85.02946	19.0
87.00906	8.4
89.02482	4.1
95.01415	5.7
98.22559	2.3
99.00890	8.2
101.02504	2.4
113.02461	29.9
115.00331	2.4
117.01964	4.4
138.74776	1.9
165.07127	7.8
167.08635	5.1
169.06636	20.9
171.08246	2.3
175.02505	6.8
176.60237	1.8
184.16214	1.9
184.55118	1.7
193.06618	34.5
209.06053	9.9
211.07649	99.9
211.95274	2.3
212.07994	7.9
213.36253	2.0
237.05591	100.0
238.05930	5.8
240.46855	1.9
248.94363	2.0
255.06650	86.4
256.06976	11.4
276.90482	1.9
340.29477	1.9
342.55716	2.2
387.10913	8.8
431.09695	30.1
431.14731	2.8
432.10162	6.1
449.48618	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	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
60.29343	0.1
61.30102	0.1
63.02072	0.1
63.02401	2.6
64.99987	0.2
65.00321	2.3
65.18054	0.1
65.49787	0.1
69.31511	0.5
69.31913	0.2
71.01389	0.1
83.01392	0.4
93.03464	1.5
94.29042	0.1
105.03450	0.4
107.01405	4.6
117.03477	9.1
119.01382	0.2
121.02961	1.1
123.00904	0.1
135.04535	0.6
139.03911	0.1
145.26601	0.2
147.00891	0.3
148.01617	0.2
149.02449	3.3
151.00386	4.3
152.00751	0.1
155.05051	0.4
157.06610	0.5
159.04530	3.3
161.02463	2.5
169.06606	1.5
171.04579	0.4
173.06029	0.4
180.05817	0.5
181.06583	1.4
182.03749	0.3
183.04518	3.9
184.04959	0.3
195.04573	0.3
196.05305	1.7
197.06100	1.9
198.06406	0.2
199.04012	0.4
201.05580	1.5
203.03357	0.2
209.06018	0.1
210.03172	0.3
212.23715	0.1
213.05615	0.3
218.95251	0.1
224.04756	1.1
225.05600	5.6
226.05946	0.4
227.03502	1.3
228.04039	0.1
237.05576	0.2
239.07327	0.1
240.04362	0.8
240.40846	0.1
241.05084	0.7
253.05084	0.4
255.06567	0.2
267.02954	0.3
268.03821	1.2
269.04565	100.0
270.04901	7.1
281.04617	0.3
282.05084	0.1
283.06174	0.5
293.04654	0.2
311.05597	1.2
392.92517	0.1
397.36264	0.2
413.08551	0.2
431.09848	54.9
432.10239	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	431.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.2
55.75322	3.8
57.03447	4.7
59.01386	100.0
65.00386	4.4
68.97662	3.9
69.03475	6.1
69.57903	15.8
71.01385	73.5
72.99321	7.5
73.02944	21.3
79.95754	15.2
80.96503	8.6
81.03461	14.0
82.02977	6.2
83.01416	18.0
83.05030	5.1
85.02964	32.5
87.00884	12.6
89.02453	25.3
93.03478	8.8
94.02997	9.2
96.96012	11.1
97.02998	4.4
99.00894	9.7
101.02459	48.6
102.98582	5.4
107.01401	5.3
107.05047	4.5
108.02193	9.4
109.02953	5.4
109.06591	5.7
110.00043	4.3
110.02515	6.8
110.06118	5.5
111.00890	16.5
113.02467	42.0
117.03522	4.0
119.03519	10.8
119.05029	7.3
120.99675	29.5
121.02973	5.3
122.06125	7.3
123.00993	3.6
123.04528	15.3
125.02445	10.1
133.03000	6.8
133.07643	4.2
135.04550	11.9
136.98808	3.8
137.02409	8.7
138.02016	3.9
143.03564	4.3
145.06613	15.7
147.04591	6.8
149.02463	6.6
150.03214	14.5
151.04042	6.6
151.08754	3.9
152.03528	4.4
153.01894	5.2
153.06725	7.9
153.09172	5.4
159.04527	7.0
160.01669	4.7
161.02443	12.0
161.04559	23.2
161.05823	4.1
163.11223	7.2
165.05547	17.7
166.02724	4.6
166.05092	7.0
167.03542	22.9
171.08148	4.2
173.06023	4.2
175.03955	6.3
176.04825	7.3
177.01909	4.5
177.05516	4.4
179.05615	7.2
181.01471	4.2
181.08656	3.9
187.07658	8.2
191.03358	5.4
191.07164	5.1
193.09825	12.0
196.96237	4.1
197.04572	7.6
209.04552	6.2
220.02545	4.2
225.11281	5.8
235.06160	4.9
239.03493	4.2
251.09389	5.4
255.10263	4.9
269.10233	22.1
283.04956	8.4
299.13824	7.9
307.10211	3.9
338.71689	3.9
343.12088	5.0
385.18112	6.0
387.15005	5.3
431.09909	8.2
431.15054	53.8
432.15942	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	431.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
58.02965	1.6
58.42043	1.6
59.01378	12.1
63.02393	2.3
65.00331	5.8
71.01387	3.5
72.00918	8.8
81.03463	49.3
82.02978	2.0
83.01366	3.0
84.04552	6.1
86.02479	21.5
88.04045	4.3
89.02451	2.5
93.03422	1.9
94.02983	7.4
94.46956	1.5
96.00929	3.1
96.95986	1.9
98.22710	3.4
101.02462	2.7
107.01372	4.9
110.02508	10.2
111.00890	2.0
117.03465	11.2
119.05013	3.3
121.03009	2.7
125.07200	3.1
135.04497	2.3
136.04044	3.2
136.98865	2.2
145.06624	11.8
149.02464	5.7
151.00346	4.3
153.06677	8.5
155.04660	14.5
159.04509	3.3
161.02444	5.4
169.06612	1.6
171.04509	7.0
171.07768	50.7
181.06596	2.2
182.03694	1.8
183.04475	4.4
187.07658	13.5
195.07779	17.5
197.05681	14.8
199.07739	4.0
213.05565	3.5
215.06752	43.9
225.05547	6.4
227.07124	2.7
237.08780	7.2
241.04863	7.6
242.08232	5.4
255.06564	1.8
264.80276	1.8
269.04562	100.0
270.04865	7.3
311.05597	3.2
316.94897	1.8
343.12909	13.9
382.48730	2.0
387.11569	3.7
431.09781	50.3
432.09979	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	431.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.4
59.78089	0.2
68.99822	0.6
69.03489	0.3
69.24912	1.5
70.82899	0.2
71.01385	0.9
73.02957	1.0
74.02477	0.3
80.66326	0.2
83.01405	0.4
89.02438	0.6
89.56741	0.2
93.03455	0.6
97.03000	0.3
98.34467	0.2
99.05639	0.6
101.02452	0.6
107.05040	0.8
109.02934	0.3
113.02475	0.5
117.03494	1.8
118.97213	0.2
119.05045	5.5
121.02995	0.3
123.04556	1.9
126.05650	0.3
128.03583	0.9
133.03014	0.3
134.03764	2.9
135.04543	100.0
136.04865	4.4
137.06105	0.3
143.04688	1.5
145.02975	1.0
147.04596	0.3
149.06073	0.6
151.03995	0.4
151.07625	0.5
153.05498	0.2
161.02454	0.4
161.04630	0.3
161.06047	0.6
163.00391	0.4
167.07182	0.7
175.04005	0.4
175.07695	0.2
177.05704	0.4
179.04590	0.4
179.07155	0.3
181.05110	1.3
187.04007	3.6
187.07553	0.3
188.04379	0.3
191.07214	0.5
193.05112	0.6
195.06673	0.4
204.03394	0.8
207.06699	0.7
209.11987	0.3
210.09085	0.3
219.06653	0.5
225.07697	0.5
227.09291	0.3
237.07721	1.1
243.08897	0.4
251.09271	0.7
254.07646	0.3
261.07742	0.4
263.05765	0.5
267.10391	0.5
268.03842	0.6
269.04691	0.5
269.10315	1.4
272.08661	0.5
279.08777	0.4
293.08350	0.4
295.08252	11.6
296.08707	0.6
297.06982	0.3
297.58716	0.3
306.07681	2.1
325.10898	0.5
337.06659	0.3
337.10657	0.6
353.10495	0.3
355.12027	0.4
399.10794	1.8
413.12531	1.1
431.08456	0.4
431.13684	6.0
431.18839	0.5
432.13660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
70.96029	0.4
77.55618	0.3
83.12339	0.3
91.05529	0.4
93.03503	0.4
107.05006	0.7
110.57240	0.3
112.20435	0.4
114.32236	0.3
117.03450	0.7
118.91540	0.3
119.05050	0.8
121.02998	0.4
123.04541	0.6
134.03777	2.0
135.04541	100.0
136.04875	4.6
138.00015	0.3
140.01164	0.4
161.02406	0.4
181.01347	0.4
182.02156	0.4
207.06607	0.5
217.51842	0.3
219.06677	0.6
237.07637	0.5
251.09225	0.8
252.67287	0.4
263.05698	0.8
269.04642	2.4
269.10355	1.5
295.08270	10.8
296.08551	0.7
399.10818	2.3
413.12582	0.4
431.14020	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74163	1.6
59.01385	100.0
61.98820	2.3
64.79998	1.7
65.85973	1.8
70.10619	5.1
71.01387	56.5
72.99284	2.5
73.02953	23.8
77.08111	1.8
83.01399	2.2
85.02966	14.5
87.00900	2.2
89.02452	60.1
95.01409	7.6
98.21970	2.0
99.00889	67.5
100.01253	2.5
101.02457	26.5
107.01386	2.2
108.02189	10.8
109.02967	3.9
111.00863	2.2
113.02457	38.0
119.03562	16.3
119.05034	30.4
120.05377	2.0
121.02998	6.2
123.04535	13.0
129.10283	2.5
131.03537	8.4
135.04515	3.1
137.06071	3.4
143.03485	4.4
149.04578	30.5
152.01170	17.6
161.04605	14.7
167.03511	3.6
179.03520	3.5
179.05635	3.8
187.17227	1.7
191.05637	24.5
191.33669	1.7
197.04512	2.3
206.91972	3.0
209.08064	2.2
233.06561	4.2
239.05615	4.0
269.04474	3.1
299.11362	17.8
410.33810	1.8
431.16077	63.9
432.15823	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	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73588	0.8
59.01383	100.0
60.01717	1.4
62.24829	0.6
63.47083	0.6
69.55228	2.2
70.89011	0.7
71.01388	8.7
73.02946	2.5
73.13992	0.6
74.80128	0.5
75.00883	1.4
79.95750	0.7
85.02939	3.1
87.00912	1.3
89.02448	5.8
90.55277	0.6
94.38172	0.6
96.96059	0.8
98.47062	0.6
99.00894	5.5
99.92596	1.8
101.02435	4.4
111.00881	0.8
113.02445	4.8
119.03535	1.9
119.05082	2.1
123.04544	2.3
149.04639	2.5
161.02486	2.0
161.04599	2.8
167.03571	2.3
176.04846	1.4
179.03502	4.1
191.05682	2.1
191.07159	0.8
194.05847	4.3
209.08182	12.2
209.09958	1.0
232.89743	0.7
269.10464	1.5
299.11459	1.8
299.83212	0.7
371.17227	2.4
393.53040	0.7
431.16312	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
57.03439	2.7
59.01386	100.0
67.10948	1.3
67.49300	1.6
70.74940	2.2
71.01389	60.0
72.99333	2.0
73.02956	18.2
83.13776	1.3
85.02959	12.9
87.00898	1.8
89.02454	70.0
95.01418	4.2
98.54336	1.6
99.00891	75.2
101.02458	30.9
103.71355	1.3
113.02464	43.4
115.00409	1.6
118.65319	1.5
119.03522	15.2
119.05040	27.7
121.02921	2.0
123.04535	6.7
131.03516	9.0
132.03114	1.7
137.06148	4.3
143.03563	3.7
146.18134	1.2
149.04573	33.2
152.01212	1.6
161.04578	17.8
179.05698	4.9
191.05634	32.2
203.89259	1.4
209.08272	1.7
233.06709	5.0
267.18234	2.8
269.04614	4.1
285.19501	2.7
299.11377	21.2
300.11761	1.9
315.20532	1.4
379.83856	1.5
431.15747	82.7
431.21283	5.0
432.16083	9.0
432.21289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	10.0
57.03447	5.9
59.01385	93.6
59.40903	1.9
69.03467	2.5
70.95102	2.2
71.01389	100.0
73.02953	36.8
83.01401	16.6
85.02959	55.0
87.00872	5.3
89.02463	25.0
95.01410	11.1
97.02985	3.4
99.00895	12.9
101.02454	86.2
102.02810	2.5
113.01720	3.8
113.02468	51.4
117.44858	1.9
119.03518	8.4
121.23629	1.8
125.02461	4.2
131.03529	4.0
139.02719	2.7
140.03557	2.2
143.03511	5.8
145.78156	1.9
159.02972	10.6
161.04582	47.0
186.28749	2.2
250.00848	1.9
269.10321	64.5
270.10727	4.0
302.07028	2.3
374.99820	2.2
431.10962	3.0
431.15631	58.3
432.15915	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	431.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21889	2.1
59.01387	100.0
59.54173	2.0
60.01733	2.3
61.98846	34.6
65.00315	4.1
68.99825	4.1
69.23329	4.2
69.23701	15.0
69.26839	3.4
71.01392	10.7
72.01779	2.1
73.02951	8.6
83.01392	3.7
85.02954	5.6
89.02447	5.8
93.03477	4.8
95.01399	3.2
97.02987	2.6
98.22634	6.0
101.02441	12.0
111.22372	2.8
113.02486	9.1
117.03507	18.5
119.03528	3.5
119.05042	21.6
123.04520	8.8
133.02982	6.7
135.04541	38.0
135.64250	2.6
147.04596	2.8
149.06027	5.2
160.13037	2.5
161.02481	2.8
161.04634	5.4
166.19469	2.3
181.05087	6.3
187.04050	11.1
191.07248	3.6
204.03406	3.2
207.06702	4.7
237.07759	8.7
261.07697	9.1
263.15054	8.8
269.04593	25.3
294.08893	2.7
311.11441	5.3
316.02417	4.4
325.10764	2.9
337.10760	3.4
355.12112	2.8
395.19275	24.1
399.10849	6.3
403.63855	3.0
413.12875	4.1
413.18008	2.7
417.58884	2.7
431.09082	6.0
431.13940	6.5
431.17987	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	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	46.8
65.95776	0.7
69.09522	5.9
71.01394	18.8
73.02971	0.8
73.55577	0.7
83.01403	1.2
85.02963	4.4
87.00922	0.9
89.02454	17.7
90.58767	0.8
95.01398	1.6
98.21886	1.4
99.04530	24.8
101.02451	11.3
111.04567	1.2
113.02444	5.7
117.03496	1.3
119.03506	6.7
119.05025	1.8
120.44874	0.8
135.04559	3.0
161.04591	1.0
179.05678	0.8
187.03932	0.8
189.12880	6.3
189.14381	1.1
207.13918	32.4
208.14293	1.8
251.12904	100.0
252.13213	8.0
268.03711	0.8
269.04587	9.5
269.14099	1.1
270.04739	1.0
293.65845	0.7
431.04749	0.7
431.09488	3.8
431.14328	0.9
431.19147	26.2
432.19412	2.2
458.77795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.3
59.01388	68.0
65.00323	1.5
68.99818	1.9
69.14659	4.2
69.15092	3.7
71.01392	24.8
73.02948	3.4
75.00867	1.4
83.01379	2.0
85.02936	6.1
89.02454	22.9
93.03493	1.6
95.01400	3.5
99.04529	17.7
99.05580	1.3
101.02464	12.7
109.02956	1.5
113.02474	9.8
117.03464	7.7
117.04775	1.2
119.03535	9.6
119.05047	14.4
119.15305	1.1
121.06647	1.8
123.04535	4.8
128.03503	2.0
130.31551	1.1
133.02940	2.7
135.03511	1.6
135.04550	30.4
136.04784	1.4
143.03528	1.5
143.05003	2.3
145.02986	2.9
149.06047	1.5
152.84503	1.1
153.05583	1.3
161.04572	1.6
161.06042	1.3
179.05623	2.4
180.62791	1.1
181.05002	2.6
187.04022	8.6
189.12894	3.1
191.07156	2.2
195.10272	2.6
204.03476	1.7
207.06602	2.3
207.13934	20.2
231.94724	1.6
233.11676	1.2
237.07625	1.9
251.12915	100.0
252.13187	6.9
255.03064	1.6
261.07626	1.5
268.03702	4.0
269.04578	6.0
283.02356	3.6
293.08466	1.4
294.08859	1.2
295.08228	3.3
337.10812	1.5
369.09671	2.8
381.10001	1.3
399.10797	4.1
412.96002	2.8
413.12341	4.8
418.66351	1.8
431.13309	12.5
431.18567	22.9
432.13788	2.4
432.19159	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	431.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36209	1.2
58.02975	6.0
59.01384	29.3
61.98835	41.0
65.42817	1.3
69.40579	4.5
70.02975	1.5
71.01390	16.8
73.02955	7.0
73.04076	31.9
74.02480	36.9
83.01404	2.8
83.02529	1.5
85.02956	7.5
85.04070	1.7
87.00862	1.3
87.05659	5.1
89.02447	8.4
89.67838	1.1
95.01394	2.2
97.04092	6.5
98.02486	4.5
99.00904	7.2
101.02448	9.4
112.02797	3.6
113.02475	9.7
113.03592	2.7
115.05147	58.6
116.03568	4.4
116.05487	1.3
119.03490	2.4
119.05020	6.0
121.02985	3.7
123.04535	1.4
125.02458	1.6
126.09272	2.5
129.06709	2.4
129.10330	2.4
130.06253	3.3
130.08772	2.9
130.83199	1.0
133.90683	1.4
135.04552	13.3
141.10330	2.4
143.03532	2.1
143.11896	17.2
144.07860	3.3
149.04553	1.9
152.07214	2.0
153.10341	1.7
154.06183	1.6
155.04608	1.4
161.04568	6.5
165.05533	1.3
165.10365	4.8
167.03462	1.6
169.09860	10.1
173.05713	2.5
182.12984	2.6
186.08844	1.4
187.10884	10.6
191.05667	2.4
193.05205	2.1
197.04648	2.2
200.14070	28.0
209.04597	1.8
210.26111	1.1
224.14098	2.1
227.09048	1.7
239.05656	1.3
244.13043	2.3
257.16187	10.3
268.12857	1.2
269.04626	2.1
269.10391	4.9
299.11401	1.8
299.17276	2.3
343.16241	100.0
344.16458	8.0
369.17645	4.3
387.18863	48.5
387.23892	2.7
388.19189	3.4
389.14792	1.3
399.10733	2.5
431.09912	2.3
431.15424	10.7
431.21442	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	431.2205
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
62.96428	0.4
77.32588	0.3
78.95909	57.2
87.04514	0.5
96.89766	0.2
96.96024	0.4
96.96968	6.4
125.92505	0.2
140.99884	0.3
144.56158	0.3
150.98068	1.6
152.99597	100.0
153.99940	1.5
171.00671	4.6
277.21738	0.6
348.45660	0.2
431.22055	4.6
432.22266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74782	0.3
52.94235	0.3
53.52654	0.3
65.96492	0.3
70.90979	0.4
75.18810	0.3
78.95911	60.1
92.68394	0.3
96.96050	0.5
96.96339	0.4
96.96971	7.9
150.64832	0.3
150.98027	1.8
152.99600	100.0
153.99968	1.5
166.69019	0.3
171.00667	4.7
229.88281	0.3
271.44507	0.3
277.21780	0.6
431.22031	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	431.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30780	0.2
56.45733	0.2
59.01377	0.3
59.33231	0.2
63.65576	0.2
71.05004	0.3
78.95876	0.2
80.69335	0.2
87.04523	100.0
88.04863	1.6
95.30846	0.2
97.02944	0.3
109.02953	0.2
110.03622	0.2
111.04537	1.0
115.04021	12.0
116.04376	0.3
117.05577	1.6
145.02963	0.5
152.99683	0.3
189.12801	0.2
203.14455	0.3
219.13881	0.6
228.46469	0.2
269.04599	0.3
287.20053	0.2
289.21890	0.2
315.19635	0.7
319.13721	0.3
331.19107	0.6
333.20837	2.2
334.21243	0.2
358.32425	0.2
431.24637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28645	1.9
71.05026	0.5
77.38908	0.4
87.04523	100.0
88.04865	2.2
96.96016	1.3
109.03004	0.5
111.04537	0.6
115.04018	10.9
116.04432	0.4
117.05601	1.3
119.05025	0.5
142.08899	0.4
145.02950	1.7
311.16934	1.1
315.19742	0.8
331.67831	0.5
333.17041	0.4
333.20590	2.0
345.65137	0.5
431.10907	0.5
431.24243	1.2
432.24573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26235	0.5
59.01389	0.6
61.98824	0.6
63.00536	0.5
69.18281	3.4
86.90174	0.7
87.04524	100.0
88.04861	1.4
96.96028	2.5
98.22632	1.0
108.40089	0.5
115.04021	10.5
117.05556	1.7
145.02974	0.9
185.11580	0.6
209.56340	0.5
218.27156	0.5
269.04416	1.1
311.16953	1.1
315.19809	0.6
333.20761	2.1
431.09924	1.5
431.23752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97104	0.9
57.16629	0.8
59.01378	1.0
69.10103	6.1
70.28703	0.8
72.55801	0.8
78.95913	16.6
79.71270	0.8
86.08730	0.8
87.04523	100.0
88.04899	2.0
89.56076	0.9
96.96023	7.5
96.96967	2.1
103.12513	0.8
115.04025	11.5
117.05592	1.0
152.83809	0.9
152.99603	26.5
153.00798	1.7
156.69046	1.0
170.29236	1.0
171.00623	1.2
183.01326	1.4
190.04460	0.9
197.02834	1.3
212.82146	0.9
218.17459	0.9
306.20120	0.9
309.44705	0.8
311.17026	4.8
333.20651	2.4
408.83411	1.1
431.11475	1.0
431.22534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.6
65.00326	3.4
68.99821	4.5
69.04505	8.2
72.12607	1.3
73.02963	2.2
78.27856	1.2
81.03493	3.3
82.02995	26.3
83.01398	5.7
85.02968	1.1
86.02481	1.4
96.04560	1.3
97.02929	2.7
98.02548	1.2
98.21901	2.8
99.04505	2.7
101.02454	1.8
105.03445	1.5
106.02966	1.8
108.04567	2.4
109.02943	5.4
110.02489	50.7
111.00889	2.9
113.72987	1.3
117.03458	7.5
119.05041	2.2
121.02968	3.3
122.02507	2.4
123.04502	3.5
124.04057	29.1
125.02458	6.4
126.01985	5.3
126.05597	3.0
131.04979	1.7
133.02937	9.5
134.02493	10.0
134.03729	5.8
135.04532	17.6
136.98822	1.9
137.02414	1.4
142.05173	1.2
145.03021	1.4
147.04521	1.9
148.04036	6.9
148.05130	1.0
149.02403	2.6
150.01923	3.0
151.00365	3.7
151.04047	2.8
152.03546	100.0
153.03868	2.6
154.01457	23.8
157.06577	1.5
158.03743	4.6
159.04523	13.0
161.02455	58.0
162.02773	2.5
162.05522	1.2
166.05067	6.0
169.01347	2.1
170.04626	5.8
171.04622	1.6
173.06078	1.8
175.03931	5.8
176.03519	13.4
177.01926	2.1
177.05544	4.7
178.01476	3.6
183.04422	2.3
190.05145	2.5
192.02884	1.3
194.04578	7.4
201.01938	1.7
201.05623	5.9
202.99651	1.3
203.03491	4.8
207.06587	1.3
208.06160	16.3
210.04105	2.2
218.04584	6.3
220.02516	22.8
227.03505	2.9
231.02863	1.3
234.04053	2.2
238.03593	3.7
245.04527	6.1
252.05144	10.8
262.03552	14.6
263.55756	1.4
264.01447	4.2
270.06161	2.5
282.04922	1.8
283.06027	4.3
284.06427	6.4
286.07285	2.5
287.65610	1.5
294.06180	10.9
296.03885	1.8
299.01947	2.0
299.05637	1.4
300.05948	2.7
311.05542	5.5
312.05902	14.5
314.06573	3.4
324.05722	2.6
332.07703	1.4
338.06766	1.4
342.06873	4.1
382.05847	1.8
414.08215	3.8
432.09756	25.6
432.15503	2.0
433.10504	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	432.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55825	1.1
56.87793	1.1
59.01389	44.9
61.98838	100.0
70.42887	2.3
71.01384	7.6
73.02951	10.2
83.01389	2.8
85.02968	3.6
87.00859	1.5
89.02447	3.4
101.02448	8.9
104.47955	1.4
109.02901	1.4
111.07819	1.0
113.02464	3.7
119.05036	6.5
126.05602	2.6
135.04550	2.4
136.04884	1.6
149.06088	1.3
151.03951	1.3
161.04555	1.8
192.77806	1.2
204.03418	3.0
209.11891	2.4
211.13402	4.9
213.14940	1.8
218.81473	1.1
229.14505	9.2
237.07675	1.5
269.04520	1.5
295.64807	1.1
373.18591	3.8
391.19693	9.1
433.15424	2.4
433.20862	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	432.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.2
60.01280	4.7
65.00310	6.6
67.01881	5.9
68.99837	7.8
69.58464	20.4
73.02945	11.6
74.99104	11.5
75.00873	27.0
80.75397	4.5
81.03460	49.3
81.54079	4.5
82.02985	54.6
82.22440	4.4
83.01391	33.0
93.03477	21.2
95.01411	24.3
95.05018	5.5
98.02501	8.9
99.00910	9.0
101.02489	9.1
103.00362	6.9
105.03470	7.4
105.27647	6.4
107.05041	6.3
109.02964	9.4
110.02479	10.4
111.00896	19.7
115.05570	6.1
117.03447	11.4
119.05079	9.1
121.02924	15.7
122.02458	6.1
122.03741	7.2
123.00937	7.6
123.04523	9.7
124.04058	58.8
125.02438	6.7
126.01978	8.3
131.05049	58.2
133.02980	15.0
133.06609	6.5
134.02429	7.2
135.00888	10.3
135.04559	10.4
137.02429	6.5
138.01926	5.5
139.04018	7.1
143.03477	9.1
145.01474	6.1
145.06680	6.3
147.04530	19.5
148.04050	8.9
149.02490	11.8
149.06075	13.1
150.01955	17.0
150.03088	9.6
151.04004	8.7
156.06703	14.6
159.04497	18.0
161.06114	20.7
164.03505	10.0
165.05557	13.3
171.04538	48.2
175.04074	19.7
176.03558	10.1
177.01924	9.6
182.04553	30.7
187.04033	26.9
188.98270	8.0
189.05594	23.1
191.03551	7.4
194.04648	7.6
196.06157	6.2
197.04568	9.5
199.04044	6.3
203.07150	7.2
207.06644	9.1
209.04544	13.6
209.09700	10.1
210.04149	7.4
215.03529	13.1
217.05049	14.6
218.04622	9.8
225.09308	6.0
234.03978	6.2
235.07655	5.6
237.09308	14.8
240.05145	7.3
241.05235	7.1
244.03604	6.9
247.06093	43.4
248.06586	6.5
250.07309	7.8
251.05588	8.0
252.05231	5.4
256.07031	8.1
259.06183	7.6
262.03574	6.5
266.06708	8.1
269.04501	14.6
270.05081	7.0
275.05530	11.2
276.06357	12.9
277.07007	6.3
279.32990	5.0
294.06155	7.4
295.09952	7.6
313.10938	5.7
339.05161	8.8
357.09753	100.0
357.13846	8.7
358.10104	10.3
432.08313	10.5
433.13745	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24435	2.3
54.93824	2.1
60.79232	2.6
61.98849	2.5
65.00320	4.2
65.99861	8.5
69.30868	12.8
78.95919	6.6
81.02235	2.6
96.00954	5.2
98.22623	4.5
109.01730	8.7
112.19784	2.5
112.99187	2.2
120.00928	4.4
121.01701	6.0
131.56718	2.2
135.34991	2.8
136.00389	19.3
142.42265	2.3
149.01193	8.1
152.99600	10.0
163.99922	17.2
165.00674	32.0
171.04555	3.6
177.00668	7.7
178.01472	9.9
180.08266	4.3
190.48503	2.6
191.99481	4.7
200.07098	2.5
211.03705	2.5
223.53494	3.0
226.01251	2.5
226.05136	3.4
240.06746	19.0
242.08220	2.7
268.06171	100.0
269.06891	32.1
270.07611	5.2
274.67981	2.6
280.06308	3.9
282.07645	5.2
341.09064	20.8
372.12421	53.3
373.13068	5.3
393.67126	2.7
400.12021	20.6
432.14474	69.9
433.14725	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	432.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	27.5
69.22743	100.0
71.00619	16.0
73.02944	35.5
98.22659	27.1
121.38773	23.0
123.40627	20.1
155.62619	22.2
163.07680	24.3
178.51695	16.7
255.13617	20.6
273.14899	70.1
387.03412	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	432.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38793	24.4
59.01378	36.0
61.98825	100.0
64.18776	23.7
71.41744	27.2
78.67361	21.3
78.81208	22.0
78.95879	24.5
110.09119	20.7
118.63946	21.5
121.94416	44.3
139.96886	24.3
163.07668	48.9
263.98410	22.3
265.73383	23.6
273.15030	58.4
344.01376	28.9
433.27615	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86279	38.5
71.43207	68.0
111.69646	46.0
119.05027	59.7
125.87305	57.2
151.81468	40.9
175.99973	60.5
364.36548	45.5
432.14151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32914	2.6
65.00337	10.7
68.99810	3.0
69.42942	13.7
75.48708	2.7
79.79169	2.5
89.00328	4.2
95.01379	17.2
108.02238	3.2
110.00100	6.1
111.00861	3.8
115.05559	12.9
117.03484	11.3
127.05556	8.8
128.10687	3.4
128.16400	3.2
130.04115	3.0
131.05040	13.4
131.51749	2.7
136.98848	5.9
137.99138	3.6
138.35503	3.0
139.00357	3.3
139.05554	5.6
140.96527	3.2
141.07135	5.6
143.05045	8.3
145.06612	11.1
147.04507	4.2
151.00362	3.5
155.05046	28.9
156.05698	3.4
157.06644	14.2
159.04509	4.2
161.06140	5.2
165.07074	5.5
169.06583	6.9
171.04581	7.4
173.06117	8.1
180.05765	4.0
181.06624	11.8
183.07928	3.1
184.05257	4.7
185.06131	10.0
187.03989	7.9
190.48450	2.9
191.00070	3.5
193.06566	5.4
195.04488	3.5
197.06108	7.7
199.04024	12.1
199.07706	7.5
200.04767	4.3
201.05608	22.4
204.97842	8.9
208.05281	3.9
209.06073	20.7
211.04063	6.4
211.07692	5.2
212.04883	4.3
213.05591	12.6
221.06181	4.1
224.04727	6.1
225.05467	5.3
227.07167	4.2
237.05603	32.2
239.07072	3.6
241.05067	5.6
245.04573	5.0
253.05067	7.3
255.06725	3.9
255.11986	6.1
257.04541	8.4
265.05048	52.1
267.02982	6.6
269.04517	27.9
271.11301	9.7
275.10709	3.5
281.04572	3.7
283.11346	3.6
287.10757	6.6
289.12274	3.5
299.10788	22.5
300.11142	6.0
301.08932	4.6
301.12299	3.7
309.04065	100.0
310.04346	8.0
315.10352	7.4
317.11768	5.9
327.10352	6.9
343.09695	23.2
345.11224	6.1
346.71548	3.1
353.08313	3.4
361.10803	4.7
371.09363	13.9
387.08691	7.4
389.10364	5.7
433.09106	27.1
433.13327	4.5
434.09811	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	433.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98953	0.6
54.93720	0.6
59.01360	1.7
69.03461	1.1
69.55614	1.2
69.55978	2.2
71.01388	1.5
73.29664	0.6
78.62656	0.5
87.07783	0.7
89.02443	1.0
95.01399	0.9
96.00895	1.0
122.02493	1.3
123.00891	6.3
124.01678	28.4
125.02466	22.5
149.99599	40.7
151.00079	1.2
167.03569	1.2
168.00655	100.0
169.01222	5.5
174.71593	0.7
179.03445	0.7
186.15347	0.7
202.73253	0.6
210.58572	0.6
239.05608	0.8
257.06638	1.2
275.42654	0.6
283.92844	0.6
292.37469	0.6
301.05682	2.8
415.08823	1.8
433.09879	98.9
434.10217	8.3
441.48477	0.7
442.57120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33763	0.6
57.73781	0.7
59.01369	2.4
61.98820	1.1
68.59871	0.6
69.03448	0.7
69.42013	2.8
71.01405	1.1
76.89835	0.7
80.94415	0.7
89.02452	0.8
90.67233	0.8
95.01342	0.9
97.02935	1.4
98.22603	1.4
116.15118	0.7
122.85610	0.7
123.00917	7.3
123.04475	1.1
124.01680	24.2
125.02468	19.0
137.02489	1.6
149.99600	35.6
151.00174	1.2
167.03488	1.8
167.75592	0.7
168.00656	100.0
169.01253	5.1
239.89360	0.7
257.06610	0.9
280.00375	0.7
301.05688	3.2
415.09238	1.5
433.09845	85.4
434.10123	9.5
439.09988	0.8
454.54892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01387	37.1
61.98829	1.2
69.03448	2.6
69.17221	3.5
69.17648	3.5
71.01392	20.0
72.99294	2.0
73.02944	3.0
82.02979	3.5
83.01379	3.0
85.02960	15.2
86.91718	1.0
87.00881	1.7
89.02448	9.7
93.03446	2.0
95.01387	2.1
96.96014	2.7
97.02911	1.5
98.02480	7.7
99.00871	1.9
99.04491	1.6
101.02457	12.0
108.02159	1.4
109.02994	1.2
111.04542	1.3
111.99580	1.9
112.04057	3.1
113.02498	6.5
119.03513	2.8
123.04543	7.2
126.01178	35.5
126.01984	1.4
129.01938	2.9
133.02971	1.7
135.04529	3.1
137.02454	2.5
149.02507	1.5
150.01207	1.3
151.62971	1.1
161.02521	1.4
167.03513	11.7
177.01942	1.1
197.04655	1.9
203.03354	1.3
209.04749	4.8
220.02716	1.2
225.04362	33.1
226.04581	1.1
227.05844	3.8
235.02797	9.8
253.01213	2.0
253.03865	40.7
254.04251	2.7
271.04932	13.8
327.59991	1.1
413.97870	1.1
415.08951	4.0
433.10056	100.0
434.10388	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	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48385	0.3
59.01388	3.0
59.83923	0.4
63.02399	3.5
65.00333	11.2
71.01386	0.4
81.03492	0.8
82.82101	0.3
83.01395	8.2
85.02998	0.5
93.03481	4.5
101.02489	0.5
107.01403	18.5
108.01760	0.4
108.99308	0.4
112.54472	0.4
117.03494	1.3
119.05044	34.3
120.05357	1.0
121.02956	0.8
125.02476	3.3
135.04620	0.4
137.02460	0.5
143.05066	1.0
145.02971	5.0
149.02480	0.4
151.00391	56.9
152.00737	2.6
157.06654	0.4
161.06111	1.3
165.01947	5.7
165.03236	0.5
169.01453	3.6
177.01932	5.0
182.23665	0.4
185.06136	2.6
187.04013	3.4
193.01494	0.5
197.11998	0.4
227.07188	3.0
229.05103	0.7
253.05060	0.5
267.06827	0.4
270.04980	0.4
271.06140	100.0
272.06467	7.9
285.04123	0.6
295.06119	0.5
313.05499	3.5
353.11151	0.4
389.10559	1.0
407.11493	0.5
433.11273	8.6
434.11810	1.3
453.07446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Naringenin 4'-O-glucoside
Peak:m/z	Relative Intensity
59.01361	0.5
59.53783	0.4
65.00330	3.8
68.99815	0.5
69.03441	0.7
71.77608	0.4
72.99302	0.5
82.00618	4.1
83.01381	0.7
85.02968	0.5
88.04165	0.4
93.03482	0.4
94.22807	0.5
95.01398	2.3
97.02959	1.0
98.21807	0.9
108.02160	0.6
110.00109	38.0
111.00946	4.0
122.00127	0.4
123.00902	6.3
124.01680	5.2
125.99664	0.6
136.01698	1.5
136.98845	3.4
137.99605	11.1
139.00400	6.9
141.01971	0.7
141.99127	0.5
150.18513	0.4
151.00377	1.9
152.01169	7.1
153.01941	0.7
153.07066	0.5
157.06606	1.3
164.98260	0.9
165.07008	0.6
165.99092	36.7
166.99883	8.7
168.00298	0.6
169.06631	0.8
171.08174	1.1
173.06058	1.6
178.99905	2.4
180.00558	0.5
181.06618	1.7
182.37317	0.5
185.00885	0.5
185.06018	2.3
193.01393	0.8
197.06073	1.5
199.07632	1.5
201.05620	1.9
207.05231	0.5
209.06088	1.9
213.05595	1.4
214.06337	1.8
215.07008	0.6
225.05585	7.2
226.05940	1.1
227.07108	2.5
229.05093	2.6
242.05899	2.4
243.06638	25.9
244.07047	2.2
253.05075	12.3
254.05525	1.2
269.04465	2.3
270.05350	24.5
271.06125	77.8
272.06473	6.6
282.05325	0.6
283.06079	1.3
329.05167	1.4
413.05753	0.5
433.11426	100.0
434.11755	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	433.1141
Annotation	Naringenin 4'-O-glucoside
Peak:m/z	Relative Intensity
60.49665	0.2
65.00326	1.6
68.99783	0.4
83.01366	0.5
95.01405	1.6
96.99307	0.4
98.22639	0.5
99.00854	0.3
108.02117	1.0
109.02955	0.3
110.00102	1.1
111.00884	3.6
123.00858	1.0
124.01670	8.4
124.98769	0.3
136.01668	2.0
136.98784	2.5
137.99620	0.3
139.00381	6.0
141.07076	0.3
152.01164	6.9
156.00612	0.3
157.06535	1.3
164.98395	0.5
165.07053	0.5
165.99055	0.6
166.99870	3.9
169.06548	0.4
171.08102	0.8
173.06062	1.7
180.00626	0.5
181.06566	1.0
183.72585	0.2
185.06059	1.0
193.01411	0.8
197.06042	0.5
199.07645	0.8
201.05617	0.9
209.06076	1.0
225.05591	3.9
227.07164	2.1
229.05048	0.5
231.79871	0.2
243.06621	30.4
244.07005	2.4
253.05075	5.6
254.05391	0.4
269.04395	0.4
270.05273	0.8
271.06125	100.0
272.06470	8.7
313.07425	0.5
407.40524	0.3
433.11670	1.0
434.12048	0.3
440.20584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21962	0.2
65.00328	4.4
66.01103	0.6
67.01891	0.4
68.99813	0.8
72.99321	0.5
82.00603	3.9
83.01363	0.4
92.99821	0.5
94.00634	0.4
95.01397	1.8
96.99297	1.0
108.02174	1.2
108.99334	0.4
109.02945	0.7
110.00107	26.8
111.00942	3.2
122.00069	0.3
123.00890	3.5
124.01680	7.1
124.98878	0.4
125.20093	0.3
134.55934	0.3
135.04527	0.3
136.01669	2.4
136.98828	4.1
137.99614	8.0
139.00400	6.8
151.00417	0.5
152.01167	7.0
153.01770	0.3
156.00673	0.3
157.06606	1.3
164.98297	4.0
165.07108	0.5
165.99086	22.2
166.99881	4.5
169.06577	0.7
171.04509	0.4
171.08156	1.0
173.06108	1.7
178.99901	1.8
180.00607	0.7
181.06601	1.0
183.04590	0.3
185.06055	2.3
193.01396	1.4
197.06091	0.8
199.07559	1.5
201.05617	0.9
209.06163	1.4
213.05588	0.8
214.06395	1.0
215.07092	0.5
225.05597	5.2
226.06000	0.3
227.07149	2.7
229.05125	1.3
241.05162	0.7
242.05920	1.3
243.06633	34.5
244.07018	2.6
248.71260	0.3
252.81099	0.3
253.05069	7.9
254.05426	0.8
255.06628	0.4
267.06638	0.3
269.04547	9.5
269.07510	0.5
270.05334	19.3
271.06128	91.9
272.06473	7.0
283.06128	0.7
309.07764	0.4
327.08603	0.3
359.19333	0.3
415.12399	0.3
422.14227	0.3
433.11420	100.0
434.11722	12.5
445.54025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73362	0.4
65.00329	3.2
68.99828	0.7
69.15723	1.9
71.06811	0.3
72.99297	0.6
82.00610	3.2
86.43468	0.4
88.32673	0.4
88.56702	0.3
91.48676	0.4
95.01394	1.3
96.99307	0.6
108.02189	0.9
110.00104	26.0
111.00956	2.0
119.04956	0.5
123.00895	2.7
124.01679	6.5
124.98795	0.6
136.00774	0.5
136.01683	2.7
136.98836	4.0
137.99611	7.8
139.00400	5.9
141.99068	0.4
151.00349	0.4
152.01164	6.6
153.01947	0.5
157.06593	0.9
164.98274	3.1
165.99086	22.3
166.99838	4.1
169.06581	0.6
171.08188	0.7
173.06137	2.2
178.99887	1.5
180.00729	0.6
181.06557	1.3
183.08122	0.5
185.06041	1.5
193.01472	1.2
197.06111	0.8
199.04211	0.4
199.07637	0.8
201.05536	1.2
209.06091	1.3
213.05612	0.9
214.06361	1.1
215.07146	0.6
215.99263	0.5
225.05638	4.3
226.05923	0.5
227.07166	2.6
229.05057	1.0
241.05171	1.1
242.05849	1.4
243.06625	30.5
244.06958	1.7
253.05069	7.5
254.05550	0.6
265.05188	0.4
267.06729	0.6
269.04532	7.4
270.05325	17.6
271.06125	87.3
272.06470	7.6
421.21545	0.4
433.11411	100.0
434.11746	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	433.1142
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01393	2.7
63.02401	3.2
65.00325	8.9
65.20687	0.5
66.65189	0.5
67.71575	0.5
71.01385	0.8
71.41579	0.4
75.18613	0.5
83.01394	6.8
93.03468	4.8
107.01397	15.0
117.03487	2.0
119.05041	33.8
120.05363	1.1
125.02450	3.4
129.26912	0.5
135.04533	0.7
137.02444	0.6
143.05046	0.6
145.02953	3.3
149.02486	0.6
151.00391	61.0
152.00731	2.4
157.06609	0.7
161.06126	1.2
165.01979	5.8
169.01451	3.1
172.66447	0.4
177.01952	5.2
178.02600	0.6
185.06129	2.3
187.04021	3.5
193.01479	0.6
207.02855	0.4
209.08238	0.5
211.71371	0.5
227.07208	4.2
251.12926	0.6
253.04997	0.6
269.04681	0.6
271.06140	100.0
272.06467	8.6
313.05688	3.8
389.10577	0.7
407.11597	0.7
421.09476	0.7
433.11218	8.9
434.11542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1355
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
55.01876	2.5
57.03459	2.1
59.01387	20.7
61.98832	1.4
67.60687	0.9
69.03503	1.4
69.35695	5.3
71.01387	50.8
72.99339	2.3
73.02948	20.4
83.01392	6.5
85.02959	22.8
87.00927	1.8
89.02450	10.6
91.01933	1.5
95.01373	5.3
97.02974	2.4
99.00890	19.1
99.04568	1.0
101.02448	26.5
108.02202	2.9
111.00943	1.9
113.02456	23.8
114.02765	1.0
119.05067	1.1
120.92664	1.0
121.02979	1.4
123.00894	43.6
123.04533	7.6
124.01675	100.0
125.01988	1.5
125.02538	1.5
129.02010	1.1
131.03542	1.1
137.02458	2.1
138.03242	23.5
139.04030	73.5
140.04420	3.7
140.75470	1.2
143.03564	3.3
149.02486	1.2
149.99611	4.3
151.03990	2.1
153.01987	1.4
159.02991	6.2
161.04575	49.3
162.04951	2.3
163.04121	1.3
166.02759	1.6
167.03502	20.0
168.00661	9.0
169.01512	1.2
173.06297	1.0
176.03508	1.1
178.02841	1.1
181.05127	5.2
182.05603	1.1
191.05704	3.6
192.55792	0.9
193.05139	2.3
209.04630	1.7
223.06078	1.4
279.62759	1.0
301.09293	40.9
302.09753	3.3
315.04962	1.2
392.94608	1.1
416.10138	1.7
433.13730	86.1
434.14218	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	433.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.4
58.28085	0.5
59.01385	12.7
65.00317	0.8
67.54999	0.5
68.99798	0.5
69.90149	0.5
69.90494	1.8
71.01383	8.5
73.02961	1.7
73.93233	0.5
75.26171	0.5
77.74343	0.5
81.03457	1.2
83.01405	1.7
85.02951	3.1
87.00875	0.8
89.02453	5.8
91.01908	8.7
95.01351	1.1
98.22575	1.0
99.00879	1.2
101.02445	7.0
107.01386	4.3
108.02178	10.2
109.02967	1.5
111.00909	1.2
113.02473	3.0
119.03495	1.5
121.05067	3.8
122.03780	1.3
123.00895	1.5
123.04536	34.3
124.04839	0.9
125.02466	1.2
150.03287	0.7
151.00352	4.0
152.01146	6.5
153.01953	1.8
153.03896	0.5
166.02707	2.6
167.03508	100.0
168.03851	5.0
181.05112	1.9
194.02219	1.7
195.02966	2.0
209.04568	12.2
210.04877	0.8
239.05750	0.9
251.05562	1.7
269.06735	3.9
296.05432	0.5
311.07779	3.3
392.23935	0.7
420.88446	0.5
433.13538	67.2
434.13885	8.1
459.01456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92279	2.8
59.01396	20.7
60.99358	3.5
61.98806	4.6
68.74997	3.2
70.65166	4.1
71.01376	9.8
85.02943	7.0
89.02441	9.2
93.03472	43.4
94.43752	3.6
101.02472	5.9
103.54826	3.5
136.01617	7.6
137.02455	94.8
151.04025	4.0
153.01939	4.8
167.03481	8.4
179.03517	27.9
209.04507	5.9
239.05641	22.6
281.06851	4.0
299.07825	4.7
310.18140	3.4
433.13559	100.0
434.13803	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	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.5
62.16588	0.8
62.38957	0.9
69.56435	0.9
70.38524	1.9
71.01392	8.7
71.03164	0.8
73.02946	2.2
83.01406	1.5
83.51250	0.7
85.02962	3.1
89.02451	6.6
92.02681	2.1
93.03464	38.2
94.03811	1.0
95.01393	1.1
101.02462	5.1
107.62893	0.8
108.02164	1.3
113.02482	3.2
119.03484	1.9
123.04543	1.8
135.04510	2.3
136.01680	8.2
137.02455	100.0
138.02812	3.5
151.04013	5.8
151.06139	3.7
153.02003	1.2
167.03499	7.5
179.03514	31.9
180.04039	1.1
193.62834	0.8
209.04541	6.0
239.05597	24.6
240.06209	1.1
267.33871	0.8
281.06622	4.4
299.07690	4.9
433.13593	89.2
434.13895	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	433.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09544	0.4
57.03451	0.9
59.01394	2.2
63.82553	0.4
67.01887	0.3
68.99825	1.3
69.03474	1.9
70.16881	1.3
71.01388	0.7
84.21928	0.3
85.02958	0.8
85.06607	0.5
93.03480	2.7
95.01376	0.6
95.05050	0.9
97.06580	0.7
99.00892	0.6
99.04545	0.8
105.07098	1.1
106.04272	0.5
107.05070	1.2
109.02951	0.6
109.06628	0.9
111.00903	0.8
113.06179	0.6
115.04035	0.6
116.92838	0.7
117.03471	0.9
119.05044	100.0
120.05354	2.7
121.02963	0.9
121.06609	1.0
123.04589	1.9
123.08195	1.2
125.06111	0.6
133.03000	1.1
133.06625	0.5
134.03758	1.4
135.04533	0.7
137.02451	0.8
137.06067	0.7
139.00436	0.5
139.04048	0.5
139.07658	0.7
140.01262	0.6
141.05539	0.4
145.02956	3.2
147.08148	0.7
149.06094	11.9
149.09761	1.6
151.03993	0.9
151.07684	2.1
153.05600	0.9
163.03996	0.4
164.04784	0.7
165.05606	0.8
165.09232	1.0
167.07147	2.4
173.06131	0.5
175.07689	1.8
187.03986	0.6
191.07199	1.0
193.05080	1.0
193.08736	4.3
195.06694	1.1
201.09135	0.4
203.07153	0.6
209.08240	1.6
211.09769	1.4
219.06648	1.2
225.11348	0.6
237.07693	15.2
238.08121	0.5
243.12547	0.6
251.11017	1.0
267.10129	0.5
269.10336	2.2
295.09814	2.1
295.13165	0.8
311.12970	0.7
326.15375	0.4
339.12418	5.2
357.13507	5.9
371.11172	0.7
383.11438	0.6
389.16147	1.7
401.12454	3.6
433.15134	9.1
433.20657	0.7
434.15717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24660	0.9
57.06654	0.9
58.50978	0.8
59.01385	100.0
60.01726	1.1
61.00428	1.0
61.25926	0.8
61.98829	3.5
63.34217	1.0
70.10084	0.8
71.01380	5.5
72.99308	0.9
73.02961	2.8
74.02478	1.0
76.69415	0.9
83.01406	1.3
85.02954	3.0
87.60751	0.9
89.02460	2.0
93.97419	0.7
101.02447	3.6
109.02953	1.0
113.02469	2.5
113.03603	0.9
119.05030	3.6
121.02974	2.7
123.00867	1.0
123.04557	1.2
131.04622	1.8
133.02959	1.3
135.04562	2.8
137.02455	1.4
150.03340	0.8
151.04053	6.0
153.05571	2.6
161.04585	1.9
171.65721	0.8
181.05086	4.5
196.07404	2.6
197.04556	5.8
204.92375	0.9
211.09775	7.0
259.08099	1.2
279.08539	1.5
371.11819	1.8
391.12457	2.1
397.09195	1.9
433.13437	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46494	0.5
55.01885	0.7
57.03450	2.0
58.52967	0.5
59.01385	100.0
60.01717	1.1
69.03450	0.7
70.05286	1.1
70.05653	0.9
71.01390	26.6
71.05044	1.3
72.99326	0.6
73.02953	29.4
79.29129	0.5
83.01401	6.2
85.02953	6.6
85.76661	0.5
86.03331	0.5
87.00880	2.7
89.02454	14.9
95.01411	1.9
97.02963	1.0
99.00925	0.8
101.02451	24.5
113.02464	10.1
119.03548	6.2
119.05033	5.9
125.02454	1.1
131.03494	0.6
135.04532	1.0
138.61862	0.5
139.10205	0.5
143.03529	1.4
149.04590	0.8
151.03993	0.6
153.05524	0.5
161.02467	0.5
161.04590	2.1
165.01971	0.6
174.69615	0.5
179.03618	0.4
179.05661	0.9
181.12329	1.1
192.04321	1.1
193.12349	0.8
194.05898	0.5
195.06699	0.8
207.06747	0.6
208.03732	0.5
209.08170	0.6
209.11913	0.9
211.13412	13.6
212.13792	1.1
223.06201	1.3
229.14577	2.7
237.07732	0.7
253.14319	0.6
271.05280	0.6
279.08606	0.5
311.88766	0.5
373.18646	5.8
391.19751	15.2
392.20105	1.1
433.20782	98.9
434.21130	11.4
459.28333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14854	0.5
59.01387	100.0
60.01721	1.1
61.98784	0.4
63.02396	0.5
65.00328	0.9
71.01390	10.5
73.02953	15.6
83.01402	4.4
85.02946	3.3
87.00908	0.6
89.02450	6.6
93.03478	1.4
94.63669	0.4
95.01409	0.7
98.21887	1.1
101.02453	11.5
101.03120	0.8
107.01431	2.1
113.02471	4.1
116.03280	0.5
119.03577	2.3
119.05032	6.4
125.02426	0.8
136.01665	0.7
143.03514	0.8
149.04651	0.5
151.00386	7.0
151.04019	1.0
152.00648	0.5
152.75375	0.4
153.50266	0.5
161.04607	1.2
164.01155	1.1
177.01938	0.5
211.13416	1.4
219.57669	0.5
229.96890	0.5
270.04633	0.6
271.06161	16.9
272.06558	1.7
355.17917	0.6
373.18552	3.6
391.19699	4.8
392.20236	0.8
415.19882	5.4
433.11227	3.6
433.20789	72.4
434.21103	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	433.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96419	0.2
71.29222	0.2
78.95909	57.5
91.27058	0.2
96.96381	0.4
96.96973	6.2
136.90475	0.2
150.98006	1.5
152.99602	100.0
153.99890	1.2
171.00641	3.8
184.62517	0.2
198.32968	0.2
265.21701	0.2
279.23367	1.1
314.07764	0.2
433.10284	0.2
433.23596	5.6
434.24005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96421	0.3
70.94022	0.3
78.95909	52.0
95.68356	0.2
96.96965	5.9
123.69659	0.3
126.19643	0.2
150.98041	1.5
152.99597	100.0
153.99968	1.3
165.53659	0.2
171.00652	4.7
190.90741	0.3
196.80533	0.2
243.08482	0.2
279.23282	0.9
433.17834	0.4
433.23627	5.6
434.24139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64002	0.4
53.15523	0.5
53.49837	0.5
56.41557	0.5
61.98835	0.8
69.52666	2.4
78.71712	0.5
78.95908	54.2
96.96969	6.3
103.97676	0.5
147.34956	0.4
150.98032	1.8
152.99599	100.0
153.99957	1.5
171.00604	4.0
194.55925	0.5
265.21664	1.5
269.04620	0.7
279.23480	1.0
312.61145	0.5
336.04306	0.5
433.23700	6.1
434.23853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2364
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
62.96418	0.2
69.82675	0.6
69.83029	0.4
78.95912	52.8
90.35885	0.2
96.28374	0.2
96.96976	6.1
98.21935	0.4
106.54460	0.2
124.00696	0.2
149.49051	0.2
150.98035	1.5
152.99606	100.0
153.99954	1.7
171.00662	4.6
188.43663	0.2
217.70973	0.2
279.23343	1.0
433.23663	5.5
434.24033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62049	0.4
56.49076	0.4
57.20437	0.5
59.01383	14.5
60.15508	0.5
61.00435	100.0
69.26647	2.5
71.01389	8.1
73.02923	0.5
75.75615	0.5
83.01389	0.6
85.02979	1.6
89.02456	12.4
95.01402	0.8
97.06615	0.4
101.02459	5.8
107.05050	0.7
109.03016	0.8
113.02467	3.6
119.03514	5.6
125.06070	0.6
135.04539	37.2
149.06197	1.0
151.07726	0.9
153.02327	0.6
161.02451	0.9
166.01772	3.3
167.07249	0.8
179.05621	1.0
187.54218	0.4
193.08775	0.6
211.09698	0.8
237.07761	1.6
245.08284	0.8
246.08495	0.5
254.04504	8.4
255.09024	0.7
300.68246	0.5
311.09369	1.0
355.11908	2.5
373.12811	1.1
417.12082	1.6
434.11182	1.5
435.13049	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	434.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61754	3.0
59.01387	59.0
59.33268	2.8
60.01732	3.2
60.50341	2.8
61.98837	27.7
62.18293	3.2
64.40603	3.0
68.54487	3.0
69.03439	3.0
71.01393	8.9
73.02959	7.8
78.95159	2.9
85.02930	7.7
95.01350	2.9
97.02962	3.7
97.06675	3.4
98.22688	7.8
101.02438	11.4
107.05033	9.3
108.58726	3.1
109.02960	9.8
113.02446	10.1
117.03474	12.5
119.05038	8.3
123.04492	4.2
133.02968	39.1
134.03679	5.4
135.04553	99.1
149.06073	5.8
161.02463	7.7
175.03949	5.4
177.05554	3.1
191.07169	4.9
193.08699	6.1
211.09700	6.2
229.08661	8.4
262.78757	3.6
281.04721	3.6
297.07996	3.4
309.07681	4.3
327.08841	5.9
355.11880	5.1
371.11407	100.0
372.11765	15.2
414.50647	3.5
435.07431	8.3
435.13074	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	434.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19935	1.4
57.29638	1.5
59.01371	5.3
59.44608	1.6
61.98835	100.0
66.22410	1.6
69.31953	8.4
78.95913	4.0
81.03471	2.2
82.99478	1.6
93.03431	2.0
98.21893	2.8
99.04535	2.0
117.03473	9.9
119.05053	2.6
123.04493	1.5
123.08214	2.1
125.00086	4.6
125.02413	1.6
126.00436	1.7
135.04546	10.5
136.04823	3.2
151.00435	1.9
201.05550	1.8
233.01546	1.7
284.03180	1.9
339.98312	1.8
345.14215	1.6
353.10318	6.5
371.11438	2.3
426.80560	2.8
434.14246	1.8
435.18033	5.3
435.27557	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	434.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75429	0.5
51.53611	0.6
56.45642	0.5
65.00308	0.7
69.36312	1.1
69.36737	2.2
70.97151	0.6
82.99828	0.5
110.02490	2.0
112.21001	0.5
119.05041	35.2
120.05386	1.0
121.02976	2.2
122.02489	1.0
123.03247	2.8
134.02498	3.2
135.03285	4.1
136.00403	1.3
138.01974	1.7
145.13428	0.6
151.02753	3.7
155.02271	0.9
166.01424	1.1
171.04543	1.1
191.87352	0.6
192.03059	2.1
193.06680	0.7
200.07205	1.0
209.06200	1.3
223.92570	0.6
224.07051	0.7
225.05466	1.0
226.08826	1.6
228.06812	0.9
242.08241	33.0
243.06387	0.8
243.08549	1.8
269.04639	0.7
270.07733	100.0
271.08255	7.9
323.10895	0.5
403.08109	0.6
434.08948	1.0
435.11072	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	434.1969
Annotation	Cryogenine
Peak:m/z	Relative Intensity
58.02981	15.6
59.01387	56.6
60.01704	2.9
61.98834	4.4
66.03473	2.0
71.01379	6.8
73.02947	4.6
74.02477	26.5
81.04563	2.5
82.03008	3.7
85.02947	2.8
86.02496	11.2
86.06081	2.1
87.05647	4.7
89.02442	3.9
93.03448	2.5
99.05655	23.5
101.02462	5.1
101.07200	4.5
102.05598	3.2
107.01394	2.3
109.04057	4.4
111.05679	2.3
112.04006	4.0
113.03600	2.0
117.03487	8.7
119.05022	6.9
120.05371	4.2
123.05655	2.1
125.03587	4.3
126.05569	3.2
127.05161	5.4
128.03552	71.7
133.04517	2.1
135.04526	15.7
135.05655	10.3
136.04861	2.1
141.06688	3.5
143.04637	100.0
144.04970	2.5
145.06142	3.0
146.03606	2.2
146.04590	11.7
151.00394	5.9
151.04005	3.0
153.06714	6.0
161.02431	2.5
161.04524	2.6
161.10085	13.3
166.09874	6.3
167.04584	5.4
167.08286	7.3
170.03365	2.5
171.04126	3.1
179.04616	22.1
182.80402	1.9
192.07741	3.8
197.05696	4.5
201.02144	1.7
210.08850	25.0
211.09688	4.3
254.07840	51.1
255.08109	3.3
271.06140	7.1
272.06409	10.3
272.08893	51.4
273.09402	3.3
293.23489	2.0
305.15366	8.2
416.18701	9.9
417.19589	2.1
434.11789	4.4
434.19730	78.2
435.07065	2.9
435.20273	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	435.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.5
60.53405	2.8
61.98820	2.8
65.00333	8.5
71.42823	3.2
74.06392	2.4
74.16422	2.6
81.03462	4.1
83.23699	2.6
87.04530	8.9
96.99398	3.4
99.04530	3.8
103.01539	5.5
107.91968	2.6
110.00111	10.4
119.05036	6.6
124.01709	4.8
135.04541	100.0
136.04886	5.6
136.98830	5.5
139.00378	8.6
141.41020	3.4
151.00403	6.0
164.98328	31.7
165.99112	15.3
166.99910	23.2
180.00658	6.7
206.90977	2.8
232.10672	2.6
234.34908	2.8
239.03459	2.8
257.04694	3.0
263.05685	5.7
284.03302	9.4
301.03558	81.8
302.04333	73.7
303.04669	3.9
308.67096	2.9
399.10815	10.5
435.27542	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	435.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75985	0.6
55.01883	2.4
57.03454	1.8
58.00599	0.8
59.01384	100.0
60.01717	1.2
61.98842	1.0
69.03459	3.3
69.80221	1.9
71.01386	20.5
72.99323	2.6
73.02950	6.6
76.90783	0.6
79.95743	0.6
81.03486	1.2
83.01394	3.2
85.02959	15.2
87.00329	0.5
87.00854	3.0
89.02452	20.9
93.03484	2.7
95.01389	3.1
97.02967	4.0
97.06590	0.9
97.63609	0.6
98.21938	1.4
99.00886	12.7
99.92640	1.4
100.93379	1.4
101.02456	12.0
107.05064	0.9
108.02206	0.7
109.02957	1.6
111.00921	1.5
111.04546	1.4
113.02460	30.0
115.92096	2.1
116.92873	15.9
117.03481	15.5
117.04289	1.0
117.92924	0.8
119.03520	6.0
119.05019	0.9
123.04597	1.0
125.02469	3.6
127.04065	0.9
131.03534	2.9
135.00940	1.1
135.04558	2.8
137.02469	1.3
139.04024	0.9
141.01964	0.7
143.03517	4.4
145.02950	1.1
147.96745	0.6
149.04593	4.1
149.06160	1.5
151.78316	0.6
153.48347	0.6
155.03532	0.8
159.04526	3.8
161.02538	1.3
161.04575	4.0
173.04614	1.7
173.06166	1.7
173.18820	0.6
176.56465	0.6
179.05721	2.3
185.04587	1.0
191.05640	4.9
191.07193	1.1
195.10339	0.9
203.05745	1.1
215.05699	2.3
217.08789	0.7
233.06796	1.7
235.09830	2.6
264.04395	0.9
265.05081	1.1
265.08563	0.6
267.10406	1.8
293.08499	1.8
294.08398	0.8
309.11099	0.8
311.09445	1.4
337.10834	3.0
355.11871	9.0
356.12634	0.7
375.16644	22.1
375.21228	1.1
393.17639	24.3
394.18274	1.3
399.10849	21.4
400.11285	2.3
401.45807	0.7
419.72308	0.8
434.21188	1.3
435.06409	0.9
435.22632	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	435.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53536	1.0
59.01383	100.0
59.67176	0.8
60.01708	1.4
61.98829	3.3
66.40858	0.8
72.99304	0.8
78.95901	5.3
96.96017	3.1
124.38264	0.9
126.77641	1.1
126.99979	0.9
136.94048	4.9
137.02461	0.9
149.96277	0.9
151.54333	0.8
165.01929	10.5
174.90599	0.8
176.98161	3.9
177.98148	1.4
178.94930	5.4
178.97749	9.5
179.98016	0.9
180.04297	14.4
183.05154	1.8
195.06641	11.0
213.07700	10.7
214.02324	0.9
216.02132	2.7
218.95204	1.5
233.04959	0.9
234.97235	1.4
236.94971	1.7
244.96696	1.1
245.95155	1.1
260.96283	4.5
269.99753	1.9
270.02496	0.9
278.95978	2.7
285.99133	3.5
297.01172	1.3
297.08313	1.6
303.00803	0.9
312.00861	5.2
313.01059	1.0
315.01874	5.9
315.09351	10.9
315.99335	4.5
316.09543	1.2
328.00693	1.1
330.01358	0.9
333.01889	5.6
357.03064	12.5
358.00366	10.5
359.00739	2.0
375.03998	29.5
375.11368	1.6
376.04105	5.5
382.26859	0.9
393.04541	3.5
417.05142	2.4
418.05307	1.0
435.08252	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92622	1.2
58.34158	1.0
59.01390	2.3
67.01927	2.0
69.86554	2.8
69.86893	1.3
71.01395	1.7
72.99375	1.2
79.09284	1.4
98.22752	1.2
109.02963	4.5
136.01691	1.9
137.02449	18.9
146.41159	1.3
151.04018	2.3
153.01944	3.7
153.05597	1.8
161.02460	5.6
164.01210	1.6
165.01942	100.0
166.02272	3.8
176.04778	3.0
179.03508	18.2
180.04298	57.1
181.04652	3.6
191.07158	1.3
194.05893	7.8
195.02959	2.6
195.06636	81.8
196.06979	4.4
209.08180	14.2
210.05319	13.3
225.07704	58.1
226.08038	1.8
435.12885	7.1
435.22290	1.9
436.13538	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80318	0.9
56.75031	0.8
59.01388	12.2
60.01698	0.8
67.01912	1.1
67.79164	0.9
69.07619	2.5
69.08049	3.4
71.01390	2.7
73.02952	2.1
79.17827	0.8
79.95753	2.8
85.02976	0.9
89.02467	1.2
90.47692	0.8
93.03481	1.4
94.40098	0.9
96.01001	0.8
107.05069	1.3
108.02216	1.6
109.02955	2.8
113.02448	1.4
116.92899	2.8
117.03499	2.4
119.05020	6.6
121.02930	1.2
122.74519	0.8
134.03758	6.0
134.06126	1.2
135.00868	1.4
135.04550	2.9
136.01727	2.3
137.02467	17.4
148.05345	1.6
149.06113	3.5
151.04022	3.3
153.01935	2.4
160.01688	2.9
161.02481	6.2
162.03139	1.3
163.04019	4.2
164.01184	3.3
165.01947	100.0
166.02264	4.2
173.08366	0.9
175.04048	2.8
175.07664	1.0
176.04788	2.3
178.05075	1.1
179.03516	40.3
180.04301	57.5
181.04733	3.2
194.05840	13.5
195.02953	2.7
195.06641	86.5
196.07027	4.4
206.04642	3.3
209.08218	16.1
210.05365	13.6
210.08508	0.9
212.19145	0.9
214.01648	0.9
225.07706	60.8
226.08040	3.2
228.51216	1.0
280.30167	1.0
294.98560	0.9
312.12439	1.3
329.10443	1.7
341.50610	0.8
355.12073	0.9
356.11523	1.2
357.09726	5.8
357.13519	1.6
358.10007	1.3
372.12143	3.1
377.23309	0.9
387.09683	1.7
387.14505	25.6
388.14865	2.2
399.10706	2.4
425.56821	0.9
435.22437	6.4
436.07074	20.0
456.66003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
57.03457	1.6
59.01384	100.0
60.01712	1.6
68.23959	1.2
69.03452	2.6
69.29810	6.6
71.01387	28.8
72.99303	2.8
73.02946	6.4
81.34214	1.4
83.01394	3.6
85.02959	18.3
87.00892	3.9
89.02461	22.9
93.03493	1.5
95.01402	4.0
97.02951	6.0
99.00890	15.0
101.02447	11.4
105.50698	1.3
109.02959	2.2
111.00890	1.8
112.83273	1.2
113.02464	37.1
116.92873	9.5
117.03486	10.3
119.03500	7.9
119.05002	1.2
121.69347	1.3
123.04494	1.4
125.02434	3.1
131.03523	3.6
135.04593	2.7
137.02502	1.4
143.03502	4.3
149.04556	3.2
159.04558	3.2
161.04578	5.3
164.07214	1.3
173.04570	1.2
179.05664	2.7
191.05626	5.8
195.10240	1.6
203.05479	1.7
215.05524	1.9
230.48192	1.5
233.06648	2.4
257.06744	1.7
264.27383	1.3
293.08179	1.8
337.10892	1.7
355.11893	5.8
356.12497	1.4
375.16599	22.0
376.16977	2.3
393.17752	30.2
394.17807	1.6
399.10880	17.0
400.10803	2.3
435.21967	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	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29452	0.4
55.01894	1.3
57.03458	0.8
58.00603	0.9
59.01384	100.0
60.01720	1.1
68.73192	0.4
69.03465	0.8
69.27719	2.1
71.01388	36.3
72.01736	0.5
72.99307	0.7
73.02954	37.2
75.00891	0.7
78.90625	0.4
81.03467	0.8
83.01405	5.4
85.02959	7.9
87.00888	1.0
89.02454	37.1
95.01390	2.2
97.02955	1.0
99.00890	66.8
100.01227	1.5
101.02451	25.3
102.02802	0.6
111.00895	0.5
113.02465	18.5
114.02812	0.5
119.03506	8.1
125.02454	2.9
127.95805	0.3
131.03526	9.8
143.03516	3.9
149.04572	19.2
155.03514	2.2
161.04578	9.2
179.05611	3.1
183.68938	0.4
191.05629	22.0
192.05984	0.8
195.10262	0.6
203.05623	7.5
204.06126	0.6
211.99413	0.3
221.06618	0.6
233.06734	2.3
241.20871	0.3
245.00523	0.4
261.13461	1.9
266.86179	0.4
303.14471	0.6
375.16495	1.4
393.17691	20.4
394.18066	2.2
435.18704	21.2
436.19095	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	436.0712
Annotation	Cladoniamide A
Peak:m/z	Relative Intensity
59.01381	0.7
65.02651	0.3
71.41391	0.6
72.00913	2.7
79.95744	20.1
80.96525	4.1
82.02984	0.5
93.03477	1.1
94.81426	0.3
96.96014	0.4
99.92473	0.4
100.00412	8.0
107.05033	3.4
119.05035	20.7
132.02179	1.4
133.05338	1.4
134.03751	30.4
134.06111	8.7
135.04587	4.8
137.61691	0.3
147.04555	0.5
148.05321	9.5
149.06090	20.7
150.06358	0.7
160.01669	16.1
161.02400	1.8
162.03232	1.4
163.04019	14.8
163.06279	0.8
163.53998	0.4
164.04399	0.5
175.04007	20.8
176.03290	0.5
176.04552	0.8
177.04266	0.5
177.05603	1.3
178.05104	7.3
179.05435	0.5
180.06665	4.8
185.99863	0.5
189.04356	0.5
190.05106	3.2
191.05894	0.9
199.00737	0.8
206.04585	16.6
206.08203	1.3
207.04965	0.8
214.01793	7.4
228.34320	0.4
253.08698	0.7
260.02274	0.6
286.00430	0.9
296.09283	0.4
297.10052	3.4
310.10974	0.5
312.12451	10.4
313.12772	1.0
356.11368	6.2
357.11682	0.7
377.05347	0.4
392.08090	10.0
393.08484	0.8
418.05722	0.7
436.07071	100.0
437.07410	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	436.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.5
57.03449	5.7
59.01384	53.8
60.01714	1.0
61.98834	3.6
69.03471	2.6
69.45374	4.8
71.01389	100.0
72.01717	1.1
72.99319	2.2
73.02953	35.0
75.00872	2.1
79.95746	2.4
81.03468	1.1
83.01394	13.0
85.02962	44.1
87.00886	4.7
89.02457	16.4
93.03490	2.7
95.01401	7.6
96.96015	5.8
97.02963	3.9
99.00882	23.4
101.02452	53.9
107.05002	1.3
111.00876	1.1
111.04567	1.2
111.99659	1.4
112.01692	1.1
113.02462	44.3
115.03947	1.2
119.03548	1.1
119.04996	1.1
121.02985	1.6
125.02464	6.4
129.01923	1.5
131.03516	3.2
135.04512	1.5
137.02518	2.0
142.00662	1.8
143.03539	4.4
153.01927	1.2
154.71280	1.1
159.03012	8.1
161.04579	85.0
162.04933	4.1
165.05511	1.0
167.03499	1.0
238.02815	2.2
281.01587	1.1
286.05115	1.3
304.05972	44.8
305.06400	3.7
358.13376	1.3
383.79303	1.0
436.10226	69.3
437.10913	8.9
437.15912	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	437.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	11.8
59.01387	0.8
69.03443	0.5
69.14346	2.2
71.01392	1.8
81.03468	1.5
83.01401	7.9
90.98601	1.1
97.02979	0.9
101.02448	1.1
107.01425	0.8
108.02189	1.5
109.02979	2.9
123.04544	1.3
124.01677	1.9
125.02461	100.0
126.02782	3.1
139.04031	3.5
149.02457	8.4
151.00397	0.8
152.01123	1.1
153.01967	4.1
167.03503	6.6
179.03625	0.4
191.03383	0.4
201.11310	0.4
209.04507	0.7
269.06686	2.2
297.06161	3.4
311.07767	9.2
311.11401	0.5
392.50772	0.4
437.10980	6.4
438.11493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74914	0.5
55.01875	1.9
57.03451	5.9
59.01384	38.9
61.98835	0.8
62.27061	0.6
68.99821	0.7
69.03446	0.6
69.19596	1.7
69.20007	1.6
71.01388	32.8
72.99320	5.2
73.02956	2.5
74.16441	0.6
75.00880	29.3
83.01401	2.0
85.02956	35.8
87.00887	7.6
89.02454	15.7
95.01387	5.5
99.00887	10.3
101.02454	8.9
103.00373	0.8
112.01674	0.9
113.02460	39.0
114.02812	0.9
115.00386	3.9
117.01955	1.9
117.03494	1.7
119.03522	4.3
125.02404	0.8
129.01967	0.8
131.03496	0.7
135.04556	1.0
150.03238	1.0
151.04007	0.6
152.60329	0.5
157.01443	1.9
161.04558	1.7
175.02509	3.9
179.05666	1.8
181.05125	0.6
233.04601	0.6
281.08618	0.5
289.39960	0.6
355.11917	1.8
377.14505	0.8
393.09491	0.6
396.15765	0.6
399.10889	1.8
413.82571	0.6
437.16666	100.0
438.17047	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	437.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04324	1.0
55.01884	5.6
57.03458	7.6
57.30543	0.8
58.00594	2.0
59.01386	63.3
61.98837	1.2
64.22111	1.0
67.54521	1.0
69.03454	4.2
71.01389	100.0
71.05027	4.1
71.43472	0.9
71.66370	1.0
72.99313	1.7
73.02956	33.2
74.03265	1.0
75.00886	2.0
79.95757	0.9
81.03475	2.1
83.01395	13.6
85.02959	38.8
87.00878	3.7
88.90398	0.8
89.02453	44.9
95.01394	7.3
97.02961	6.0
99.00895	14.4
99.04544	1.2
101.02453	56.9
102.02779	0.8
109.02977	1.1
111.00898	3.2
113.02464	29.5
115.04027	2.9
119.03539	2.4
120.01284	3.9
125.02456	11.7
129.01985	1.9
131.03523	12.9
135.04535	6.6
136.04878	3.0
136.07706	1.3
137.05055	1.7
143.03506	6.2
143.10771	7.7
149.04584	9.0
157.08771	2.4
159.03056	6.6
159.04192	1.3
161.04573	30.0
186.12515	3.8
190.52715	1.0
191.05685	5.0
201.11308	2.1
207.34268	0.8
230.12024	1.2
233.06683	10.5
255.11348	2.4
273.12515	1.8
293.08862	5.4
298.15750	0.9
305.16083	45.1
306.16367	2.7
336.44144	1.0
371.23007	6.9
383.22980	1.6
401.24017	1.7
407.96362	1.1
437.20340	79.7
438.20767	6.8
462.52618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49730	7.6
55.52144	8.9
57.03436	9.8
59.01390	41.4
61.98831	30.3
69.22865	16.7
69.23270	33.3
70.02972	17.2
70.83070	8.1
71.01382	42.8
72.99323	75.3
73.02943	11.0
85.02958	43.2
86.02476	15.6
89.02438	21.7
90.13335	7.9
93.03481	11.0
95.01360	9.5
96.96000	16.3
98.21884	15.7
101.02451	32.0
107.05032	14.3
110.02489	73.0
113.02462	64.8
114.01991	52.4
117.03454	20.4
119.03458	13.2
119.04996	8.0
121.02960	24.1
123.04529	12.2
125.02406	8.8
128.03575	11.5
133.02962	39.1
139.04050	14.2
161.02492	95.9
161.04570	11.5
182.04584	26.0
193.05067	100.0
200.05688	29.8
227.07315	9.6
261.02707	9.1
286.92032	9.6
319.81866	9.2
439.17889	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	438.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72789	1.2
59.01360	1.7
59.09974	1.1
61.98834	100.0
78.95911	11.0
79.10985	1.4
79.52271	1.3
82.94603	1.9
83.13258	1.2
96.96046	9.6
96.96975	16.1
147.63857	1.1
154.91660	1.9
215.60114	1.4
241.00269	4.8
294.60031	1.1
323.74957	1.4
439.05264	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	438.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.94492	1.4
70.91090	1.4
78.95907	13.8
96.96028	10.2
96.96970	25.1
144.95462	1.4
206.41164	1.2
211.06665	1.2
241.00226	1.5
264.99982	2.6
266.31314	1.3
294.92236	1.4
295.91351	1.2
351.11115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00968	0.8
59.01081	1.3
59.01385	20.5
61.98837	100.0
71.01392	1.5
73.02969	1.0
75.29407	0.8
79.81674	0.8
94.99390	0.9
101.02454	1.7
106.70673	1.0
124.77119	0.8
166.42291	1.0
180.59084	0.9
289.16690	1.7
443.16931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.3
61.98836	100.0
69.22137	5.0
71.01384	1.8
75.87508	1.1
81.03436	1.1
84.02224	1.2
96.82178	0.9
99.04543	2.1
101.02447	1.4
119.05020	1.8
126.66586	0.9
135.04529	1.5
158.98778	0.9
192.08060	1.3
350.41321	1.1
372.95636	1.0
375.20288	6.2
394.19440	1.1
438.22299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79856	0.4
53.51569	0.3
57.41548	0.3
59.01376	0.6
64.74795	0.3
78.03478	2.0
82.00332	0.4
103.01518	1.0
104.01881	0.3
113.28854	0.3
122.02497	100.0
123.00898	0.5
123.02837	2.8
125.05462	0.4
127.87057	1.9
127.87868	0.3
137.21106	0.3
141.88567	0.7
144.08098	0.3
159.86060	0.7
166.31429	0.4
170.31454	0.4
172.07719	0.8
174.09200	0.6
198.05676	1.5
199.94223	0.4
214.05258	0.9
215.05699	0.4
219.13914	0.7
354.67200	0.4
438.09305	0.8
438.22891	21.7
439.23233	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	439.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
62.56711	0.3
66.03204	0.3
69.33537	1.3
69.33949	0.7
71.01383	2.3
73.02954	0.6
78.33262	0.3
78.95937	0.8
79.95731	3.6
80.96526	3.0
81.65825	0.3
85.02917	0.8
87.00862	0.9
95.01420	0.4
96.96014	100.0
97.02930	0.5
97.95936	0.4
99.00887	0.5
101.02457	1.2
110.97625	0.4
113.02462	0.7
123.00882	1.1
125.02408	0.4
136.23859	0.4
137.96428	0.4
138.03224	0.6
138.97078	9.6
150.97078	1.1
164.98589	0.6
166.99883	1.3
167.89629	0.3
168.98161	1.0
180.98157	0.8
182.02211	2.9
197.04562	3.8
207.75131	0.4
210.09891	0.4
222.99199	1.8
236.42990	0.4
241.00240	68.0
242.00508	3.0
354.30405	0.4
402.89343	0.4
439.05533	22.0
440.05893	2.2
455.82489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.1
59.91021	0.5
61.98838	3.7
65.90193	0.5
67.75639	0.5
68.41106	0.4
69.97248	0.4
71.01392	5.8
72.99310	2.5
73.02926	0.8
75.00874	1.7
78.95916	50.0
79.95742	2.4
80.96519	2.5
83.01440	0.7
85.02953	2.7
87.00890	0.8
89.02438	4.2
96.96021	71.0
96.96970	100.0
99.00916	0.6
101.02445	2.4
103.00449	0.8
108.02155	0.6
113.02464	3.3
119.03519	1.6
122.97613	0.8
123.00930	0.9
124.22208	0.5
125.42392	0.5
131.03500	0.9
138.97076	6.2
143.03502	0.7
145.06261	0.7
153.01944	1.4
166.99826	0.5
176.77484	0.5
179.05635	1.9
182.02223	1.8
193.03459	4.3
197.04507	2.6
207.05150	2.3
209.07069	0.6
222.99173	1.0
241.00262	46.0
242.00642	0.9
341.11038	3.6
395.73743	0.6
411.76373	0.6
439.05212	12.2
440.05963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68954	0.2
54.95438	0.3
55.28671	0.2
59.01382	1.1
61.98861	0.3
70.23312	0.6
71.01386	1.0
72.99338	0.4
73.02967	0.2
78.95913	48.7
87.00893	0.5
88.71017	0.3
89.02462	1.0
92.92828	0.7
96.96082	5.8
96.96972	100.0
97.16512	0.2
98.59849	0.2
101.02444	0.7
106.33031	0.3
106.38319	0.2
113.02486	0.4
132.35498	0.2
134.74187	0.2
137.71097	0.3
138.97150	0.3
145.06229	0.4
153.94774	0.3
179.05589	0.5
195.84807	0.3
241.00232	1.4
243.94643	0.2
316.35428	0.3
341.11078	1.4
439.08588	1.0
440.08438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92171	1.5
59.01371	4.7
65.00311	1.6
65.99851	4.0
69.47671	6.9
70.02976	3.3
71.83999	1.4
83.27347	1.7
98.02491	9.2
110.02445	3.6
122.02499	3.3
132.04463	1.7
134.02461	2.6
136.00375	5.5
139.05133	2.4
144.04532	3.5
146.02455	2.7
148.90053	1.6
151.10364	1.5
160.04025	6.6
160.78856	1.5
162.05641	2.1
163.05157	3.2
163.99872	3.5
164.03537	3.2
165.00656	8.8
165.03052	1.7
171.04512	6.3
175.99878	5.1
176.01221	3.4
177.11360	1.7
186.01985	1.9
187.05139	2.2
188.03540	6.7
190.01434	2.5
199.02638	1.8
207.04129	14.2
214.01460	3.9
231.04161	5.3
240.06747	2.7
242.08185	6.2
248.10930	2.1
250.08818	2.8
257.05539	1.7
268.06183	14.9
269.06985	5.5
270.07721	10.8
280.06210	8.2
290.08307	2.8
292.09827	8.6
293.09610	2.0
308.06223	2.1
308.09521	9.5
320.05435	3.7
335.06436	3.4
335.10410	59.3
336.08884	7.9
352.08322	2.9
359.15274	2.4
368.07657	5.8
379.09369	100.0
380.09702	13.2
395.12482	3.2
407.08878	3.6
439.11676	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	439.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18783	2.5
53.38389	2.6
53.62778	2.8
54.26972	2.4
56.49266	2.6
69.04855	20.0
75.91049	2.3
76.63686	2.4
82.23356	2.6
82.81664	2.3
87.00878	2.9
94.53665	2.6
95.01419	2.3
98.22669	3.9
104.02683	10.5
108.02189	6.2
124.01668	6.9
132.02155	6.1
135.00891	4.2
144.04143	2.5
147.00890	4.0
148.01671	55.8
152.01164	2.5
160.01645	3.0
161.02417	4.8
163.00398	4.6
164.01149	12.3
169.06557	7.0
171.04544	5.1
171.91965	2.4
173.72017	2.6
176.01160	100.0
181.06686	3.3
183.34181	2.5
189.02011	8.4
191.08701	5.4
192.00676	37.1
193.06673	3.8
195.54422	3.4
200.01244	3.7
204.00632	32.0
213.01936	7.4
213.05598	6.0
217.01436	78.8
218.01729	3.3
219.08133	7.3
221.06047	6.1
223.07596	5.5
225.05551	11.0
235.07777	6.4
239.07199	8.9
247.07602	7.0
249.05576	4.3
261.05573	3.2
263.07169	15.2
264.07806	7.9
267.06677	11.1
275.07123	5.2
279.06589	3.3
280.07443	9.1
291.06668	29.1
303.06744	3.4
304.07321	5.8
307.06213	13.8
308.06915	95.8
309.07242	9.6
320.27319	2.8
351.13651	5.0
353.11819	6.8
369.11337	5.1
395.12900	42.2
396.13037	6.3
439.11868	99.5
440.12241	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95494	2.0
58.93601	1.8
63.35828	1.6
64.71195	1.7
65.00341	2.1
68.99812	2.3
70.04016	2.6
95.01372	2.7
104.02714	10.8
108.02183	7.8
111.00912	2.5
113.09231	1.8
117.03476	3.0
120.02168	3.5
124.01685	10.1
132.02217	9.4
133.03008	3.3
135.00896	2.3
136.01720	1.9
145.02983	3.2
145.06667	1.8
146.84761	1.9
147.00858	5.2
148.01682	60.0
157.06551	3.2
160.01620	4.1
161.02484	5.1
164.01189	8.5
169.06616	8.4
176.01157	99.2
177.01637	6.0
179.08591	2.1
181.06624	3.5
189.01894	6.7
190.02394	2.0
191.08665	3.8
192.00647	30.3
193.06613	4.5
197.06152	2.4
200.01273	4.7
204.00652	31.1
209.06059	1.9
213.01944	6.0
213.05696	4.9
217.01418	80.7
218.01717	3.4
219.08185	8.3
219.59532	1.9
221.06082	4.1
222.06824	4.0
223.07607	5.2
225.05679	9.3
235.07674	7.2
237.05501	3.5
239.07114	4.5
245.06126	3.1
246.06648	1.9
247.07625	7.2
249.05579	2.9
250.63182	1.8
251.07285	2.2
261.05420	2.3
263.07211	15.6
264.07874	7.2
267.06625	8.2
275.07059	2.1
279.06732	2.2
280.07452	8.5
291.06680	27.0
292.07004	2.4
294.05521	3.2
296.60596	1.8
304.07358	5.8
307.06012	11.8
308.06924	84.9
309.07156	9.0
322.00851	2.1
340.06042	2.8
351.13895	7.4
353.11749	6.2
395.08386	2.5
395.12958	40.1
396.13129	5.5
439.11880	100.0
440.12238	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	439.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
65.00327	1.2
69.52186	1.8
69.52591	2.2
71.01382	1.1
72.04536	1.0
74.86602	0.8
78.01080	0.9
78.17904	0.7
79.95736	1.7
81.03466	0.8
82.02995	11.1
83.01385	1.4
86.02509	0.8
93.03457	2.3
94.60549	0.7
95.01413	1.5
96.96017	2.1
98.02484	11.7
99.00272	1.5
99.00890	21.7
100.04057	4.2
109.02963	1.3
110.06146	0.8
111.00865	1.1
111.03398	0.8
111.04510	5.6
113.02482	0.9
116.03533	2.4
123.00947	1.0
124.00491	1.0
124.01646	1.8
125.02420	0.8
126.01991	5.7
133.02942	0.9
134.06140	2.0
136.07729	1.8
136.98810	1.0
137.02435	1.2
138.01988	0.9
144.03059	7.5
150.03194	1.4
152.01175	1.3
157.06616	1.4
162.05623	1.5
163.00377	1.1
164.07210	1.0
165.01891	1.0
171.04512	1.3
173.06097	2.9
175.04088	1.0
177.01979	2.9
178.08788	1.4
180.03032	1.2
180.06641	1.1
181.06551	0.9
185.06122	1.3
188.04655	1.1
190.05067	1.1
191.03529	5.3
192.06700	1.9
200.07071	1.0
202.08739	2.1
204.06630	0.8
205.05096	1.9
208.06201	2.3
216.04327	2.3
219.03001	1.6
220.09923	0.9
225.05544	1.0
234.04121	2.0
235.04933	2.0
236.05669	1.0
237.09259	1.6
239.07129	2.0
243.06671	2.9
246.07739	11.1
252.10097	1.2
254.09499	0.8
254.11896	1.3
268.13486	1.1
272.05649	1.2
281.08115	1.5
283.02701	0.9
289.08325	0.8
294.11380	6.0
296.13037	3.6
312.12415	16.0
313.12805	1.6
317.07651	0.9
322.11053	1.4
323.09500	1.3
328.08459	1.0
338.10315	5.4
339.11121	2.9
340.11877	12.8
341.12183	1.3
344.85873	0.7
350.13995	6.5
351.14658	0.9
370.09329	1.6
375.13644	1.2
376.11969	6.2
377.12152	0.9
393.14786	1.5
394.14020	1.2
395.14407	3.2
421.14185	5.4
422.14282	1.0
439.15173	100.0
440.15454	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	439.1511
Annotation	Kopsinitarine D
Peak:m/z	Relative Intensity
59.01382	1.1
65.00327	1.2
69.52186	1.8
69.52591	2.2
71.01382	1.1
72.04536	1.0
74.86602	0.8
78.01080	0.9
78.17904	0.7
79.95736	1.7
81.03466	0.8
82.02995	11.1
83.01385	1.4
86.02509	0.8
93.03457	2.3
94.60549	0.7
95.01413	1.5
96.96017	2.1
98.02484	11.7
99.00272	1.5
99.00890	21.7
100.04057	4.2
109.02963	1.3
110.06146	0.8
111.00865	1.1
111.03398	0.8
111.04510	5.6
113.02482	0.9
116.03533	2.4
123.00947	1.0
124.00491	1.0
124.01646	1.8
125.02420	0.8
126.01991	5.7
133.02942	0.9
134.06140	2.0
136.07729	1.8
136.98810	1.0
137.02435	1.2
138.01988	0.9
144.03059	7.5
150.03194	1.4
152.01175	1.3
157.06616	1.4
162.05623	1.5
163.00377	1.1
164.07210	1.0
165.01891	1.0
171.04512	1.3
173.06097	2.9
175.04088	1.0
177.01979	2.9
178.08788	1.4
180.03032	1.2
180.06641	1.1
181.06551	0.9
185.06122	1.3
188.04655	1.1
190.05067	1.1
191.03529	5.3
192.06700	1.9
200.07071	1.0
202.08739	2.1
204.06630	0.8
205.05096	1.9
208.06201	2.3
216.04327	2.3
219.03001	1.6
220.09923	0.9
225.05544	1.0
234.04121	2.0
235.04933	2.0
236.05669	1.0
237.09259	1.6
239.07129	2.0
243.06671	2.9
246.07739	11.1
252.10097	1.2
254.09499	0.8
254.11896	1.3
268.13486	1.1
272.05649	1.2
281.08115	1.5
283.02701	0.9
289.08325	0.8
294.11380	6.0
296.13037	3.6
312.12415	16.0
313.12805	1.6
317.07651	0.9
322.11053	1.4
323.09500	1.3
328.08459	1.0
338.10315	5.4
339.11121	2.9
340.11877	12.8
341.12183	1.3
344.85873	0.7
350.13995	6.5
351.14658	0.9
370.09329	1.6
375.13644	1.2
376.11969	6.2
377.12152	0.9
393.14786	1.5
394.14020	1.2
395.14407	3.2
421.14185	5.4
422.14282	1.0
439.15173	100.0
440.15454	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	439.1977
Annotation	Garajonone
Peak:m/z	Relative Intensity
55.01869	1.3
55.44804	0.5
57.03456	1.1
59.01382	9.3
61.98860	0.4
67.01889	1.9
68.99824	0.8
69.03460	0.6
69.95240	1.6
71.01389	10.7
72.99313	1.0
73.02954	4.3
75.00877	0.8
75.94772	0.5
79.01929	0.7
81.03465	7.6
83.01405	2.7
85.02964	6.9
87.00871	0.8
89.02459	0.7
91.01910	3.5
93.03471	0.7
95.01402	3.7
96.99339	0.7
97.02956	0.8
99.00894	2.0
101.02455	7.0
107.01405	14.5
108.02186	7.2
109.02966	1.7
111.00879	2.5
113.02459	3.6
117.03477	1.8
122.03733	1.2
123.00896	4.3
123.04543	18.3
124.01667	1.2
125.02467	8.0
129.01970	1.0
135.04507	2.2
136.01678	0.7
138.03291	0.8
139.00334	0.6
150.99162	1.1
151.00389	20.1
151.04039	0.7
152.01190	8.9
153.01976	5.0
155.09563	0.5
159.03094	1.1
161.02409	1.1
161.04539	0.7
164.42334	0.5
166.02716	3.3
167.03513	49.6
168.03857	1.7
177.04034	1.6
195.03018	1.7
205.04951	0.7
207.02975	0.8
251.05560	1.2
311.07706	0.9
369.36212	0.5
392.09869	0.4
424.17416	6.3
439.19763	100.0
440.20096	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1979
Annotation	Vicolide C
Peak:m/z	Relative Intensity
52.31204	0.8
57.03459	1.2
59.01387	100.0
59.35796	0.9
61.98832	3.7
63.87926	0.8
67.55799	0.9
69.03459	1.9
70.81390	1.1
71.01390	16.1
71.05036	6.9
73.02571	1.5
73.02959	26.4
76.03287	0.8
78.95935	0.9
80.30469	0.9
83.01385	5.0
83.42747	0.8
85.02957	3.7
89.02458	3.2
96.96033	1.2
97.02956	1.3
97.06595	2.1
98.22072	0.9
99.00878	8.3
101.02445	15.0
109.43626	1.1
110.06168	1.0
113.02440	6.0
115.04006	2.7
117.03481	1.0
119.03522	1.3
119.05042	1.8
120.46670	1.0
131.03551	1.3
133.39903	0.9
135.04553	9.0
135.08145	1.2
137.02519	0.9
137.06126	0.9
161.04543	3.1
173.13371	3.2
189.12814	1.5
203.14496	1.6
217.12393	4.3
233.15562	2.2
255.17554	3.2
261.14935	1.4
271.16949	2.5
273.18719	2.1
289.18134	1.4
309.20761	8.3
311.31653	1.0
317.17688	2.9
335.18634	23.5
336.19022	2.3
353.19733	7.7
371.11435	2.3
377.19940	1.0
395.20798	15.9
396.21109	3.6
408.26123	1.0
439.19772	47.2
440.14273	0.9
440.19940	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	439.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78765	1.1
55.01878	5.5
57.03444	5.1
58.00592	1.3
59.01387	77.4
61.98835	1.4
66.66806	1.2
69.03458	2.9
69.84764	4.3
71.01390	84.1
72.99328	2.1
73.02956	35.4
74.02488	2.6
75.00875	3.6
78.95921	1.3
79.95776	1.5
81.03466	1.9
82.89678	1.2
83.01373	12.7
85.02966	32.6
87.00883	5.2
89.02451	39.0
93.03481	3.0
95.01413	5.8
96.96016	1.3
97.02944	6.0
98.83755	1.2
99.00896	14.8
101.02457	73.7
102.02795	1.8
110.29165	1.1
111.00905	2.7
113.02463	31.5
114.05611	2.0
115.04054	4.0
115.75945	1.1
117.03490	2.4
119.03499	7.2
119.04987	2.6
125.02451	9.4
129.01996	1.7
131.03546	6.0
135.04596	2.8
143.03520	4.9
145.12263	1.9
149.04539	6.7
159.02998	5.8
161.02534	2.2
161.04585	36.0
167.03493	2.8
191.05629	2.6
196.02605	1.7
209.04565	2.0
233.06734	6.4
293.08774	4.3
307.17664	74.8
308.17981	3.9
341.07843	2.6
364.76978	1.3
396.59009	2.7
439.21887	100.0
440.17209	2.4
440.22385	9.8
442.16580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78765	1.1
55.01878	5.5
57.03444	5.1
58.00592	1.3
59.01387	77.4
61.98835	1.4
66.66806	1.2
69.03458	2.9
69.84764	4.3
71.01390	84.1
72.99328	2.1
73.02956	35.4
74.02488	2.6
75.00875	3.6
78.95921	1.3
79.95776	1.5
81.03466	1.9
82.89678	1.2
83.01373	12.7
85.02966	32.6
87.00883	5.2
89.02451	39.0
93.03481	3.0
95.01413	5.8
96.96016	1.3
97.02944	6.0
98.83755	1.2
99.00896	14.8
101.02457	73.7
102.02795	1.8
110.29165	1.1
111.00905	2.7
113.02463	31.5
114.05611	2.0
115.04054	4.0
115.75945	1.1
117.03490	2.4
119.03499	7.2
119.04987	2.6
125.02451	9.4
129.01996	1.7
131.03546	6.0
135.04596	2.8
143.03520	4.9
145.12263	1.9
149.04539	6.7
159.02998	5.8
161.02534	2.2
161.04585	36.0
167.03493	2.8
191.05629	2.6
196.02605	1.7
209.04565	2.0
233.06734	6.4
293.08774	4.3
307.17664	74.8
308.17981	3.9
341.07843	2.6
364.76978	1.3
396.59009	2.7
439.21887	100.0
440.17209	2.4
440.22385	9.8
442.16580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88386	63.0
61.98835	76.8
100.17394	74.6
192.95895	69.5
254.61066	69.1
258.49469	65.9
293.69550	75.7
342.18332	79.8
439.13388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95313	67.0
54.66477	70.6
60.08962	72.0
61.98834	78.7
70.93446	100.0
79.28309	70.9
84.97112	66.3
100.57758	84.1
119.79938	77.4
136.52133	70.5
142.55089	77.6
147.42111	69.4
180.69496	83.2
239.64912	85.5
373.16223	80.0
388.14075	82.9
439.13736	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.2
64.01935	4.5
65.00339	4.6
65.99850	22.2
68.99812	1.7
69.48024	7.1
73.47606	1.8
81.84809	1.8
88.01933	2.1
95.11758	2.1
96.00939	6.7
98.21935	3.9
108.00931	5.4
116.01418	2.8
120.00922	6.2
123.54089	1.7
136.00421	40.5
136.11069	1.6
148.00383	5.3
149.01183	2.5
160.00449	3.8
163.99922	42.7
165.00410	2.7
171.04541	4.8
175.99892	27.6
176.01201	2.7
177.00639	3.1
187.99825	10.3
190.98567	7.3
199.25096	2.3
203.99403	15.2
215.99371	12.7
217.01486	2.2
221.05975	1.9
224.07156	4.2
226.05173	4.0
238.05112	3.6
240.06783	4.3
264.06616	4.6
268.06168	100.0
269.06546	9.1
278.04550	3.6
280.06180	32.6
281.06589	2.6
292.06229	7.5
295.04797	1.9
296.09204	3.3
308.05664	28.5
309.06479	3.6
320.05679	37.6
321.06058	3.2
340.08224	14.2
352.08200	27.8
353.08408	4.2
364.04459	2.5
368.07791	74.2
369.08032	7.1
380.07678	2.2
440.11819	3.6
441.11374	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	440.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38585	0.8
59.01378	3.1
69.93162	1.5
71.01387	4.8
72.00914	5.0
72.01736	1.0
73.02955	1.9
79.95736	12.4
80.96518	3.8
83.01393	1.2
85.02955	2.8
86.03265	1.0
89.02478	1.4
90.38154	0.7
93.03465	2.9
95.01405	1.3
96.96020	1.0
99.00903	1.5
100.00410	13.9
101.02459	4.4
104.69062	0.8
107.05019	4.1
113.02456	2.2
119.05033	32.4
120.05361	1.5
121.02976	2.9
123.00909	8.5
134.06146	7.7
135.04553	1.2
136.07681	0.9
138.02167	0.8
138.03226	21.1
139.07674	1.4
153.05594	15.9
154.05981	0.8
161.04572	2.1
163.04021	24.3
164.04401	1.0
166.02742	1.0
167.02274	1.1
174.93625	1.0
177.05760	0.8
178.01627	0.9
179.02197	2.0
180.03075	2.6
180.06662	19.5
181.07083	0.8
182.04546	2.0
194.04599	9.7
195.05310	1.0
196.06137	1.1
206.04593	18.6
214.01855	5.7
236.05576	1.0
239.04305	1.0
256.73502	0.7
270.07953	0.8
270.10657	3.4
279.12445	1.6
286.07202	2.3
300.08572	1.0
301.09543	9.8
302.10086	1.4
316.11908	4.1
353.89777	0.8
360.10855	15.7
361.11154	2.2
396.07687	3.2
401.14355	0.9
402.14865	27.3
403.14999	1.7
404.15369	1.3
440.06586	100.0
441.06836	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	440.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38585	0.8
59.01378	3.1
69.93162	1.5
71.01387	4.8
72.00914	5.0
72.01736	1.0
73.02955	1.9
79.95736	12.4
80.96518	3.8
83.01393	1.2
85.02955	2.8
86.03265	1.0
89.02478	1.4
90.38154	0.7
93.03465	2.9
95.01405	1.3
96.96020	1.0
99.00903	1.5
100.00410	13.9
101.02459	4.4
104.69062	0.8
107.05019	4.1
113.02456	2.2
119.05033	32.4
120.05361	1.5
121.02976	2.9
123.00909	8.5
134.06146	7.7
135.04553	1.2
136.07681	0.9
138.02167	0.8
138.03226	21.1
139.07674	1.4
153.05594	15.9
154.05981	0.8
161.04572	2.1
163.04021	24.3
164.04401	1.0
166.02742	1.0
167.02274	1.1
174.93625	1.0
177.05760	0.8
178.01627	0.9
179.02197	2.0
180.03075	2.6
180.06662	19.5
181.07083	0.8
182.04546	2.0
194.04599	9.7
195.05310	1.0
196.06137	1.1
206.04593	18.6
214.01855	5.7
236.05576	1.0
239.04305	1.0
256.73502	0.7
270.07953	0.8
270.10657	3.4
279.12445	1.6
286.07202	2.3
300.08572	1.0
301.09543	9.8
302.10086	1.4
316.11908	4.1
353.89777	0.8
360.10855	15.7
361.11154	2.2
396.07687	3.2
401.14355	0.9
402.14865	27.3
403.14999	1.7
404.15369	1.3
440.06586	100.0
441.06836	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	440.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42862	0.6
64.01920	3.0
65.00346	0.7
65.99496	1.2
65.99851	23.0
69.51908	2.7
88.01908	0.9
89.00343	0.9
89.99879	1.2
90.33521	0.8
94.38375	0.8
108.00897	3.9
111.97589	0.8
112.01948	0.9
115.48488	0.7
117.51571	0.7
119.00153	1.6
130.01993	0.7
132.00919	1.8
133.01711	1.5
136.00429	1.5
144.00912	2.0
148.00504	0.7
148.01686	1.2
156.00928	3.3
160.00511	0.9
162.74702	0.7
171.04541	2.7
172.00418	6.0
174.99159	1.0
175.99895	30.8
176.01379	1.9
189.00676	1.7
192.03166	1.0
199.99899	13.5
203.99384	2.2
217.01447	1.0
227.99384	35.0
228.99727	1.6
234.00471	1.3
238.05116	2.5
248.07436	0.8
252.04042	0.7
252.06612	0.9
260.07315	1.4
261.99988	2.2
262.05212	0.8
268.03558	0.8
268.06113	2.7
271.98343	9.1
276.06598	0.8
280.06171	53.7
281.06427	5.0
292.06705	0.9
297.06238	0.8
304.06177	8.5
308.06525	1.5
309.07349	1.3
332.05667	9.9
340.08499	0.8
348.04871	0.9
364.08264	5.1
366.06189	3.4
376.04633	100.0
377.05020	11.0
396.13068	1.5
408.07202	12.2
409.07693	1.9
440.12125	3.0
441.13312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11236	0.9
55.01879	1.7
59.01368	3.7
61.22602	0.8
65.80738	0.8
66.03483	2.4
70.02974	0.9
71.01388	2.6
71.05027	5.7
71.41888	1.1
73.02948	1.9
75.33657	0.8
80.05056	6.5
82.02987	14.7
83.01401	6.2
83.05037	6.7
85.02947	1.1
86.02475	1.8
89.02464	1.5
96.04564	6.6
98.02487	43.4
98.06126	7.8
99.00890	1.4
99.02857	1.9
101.02451	1.6
105.03471	1.0
106.08746	0.8
108.04565	22.6
113.02436	1.0
119.05055	1.0
120.01260	6.3
120.41968	0.8
124.04055	23.4
126.01932	0.9
126.05629	9.2
127.00391	7.5
133.03290	0.8
133.27823	0.8
138.03207	0.9
140.01782	3.1
142.03357	1.4
142.05104	4.3
152.03549	33.0
161.02455	8.9
161.04605	1.9
162.03111	1.5
163.04094	2.2
168.03040	21.0
169.03462	0.9
170.04593	13.9
175.04025	4.1
176.04900	1.2
177.05600	8.7
178.06383	2.7
186.02324	1.6
195.01190	3.7
196.02528	100.0
197.02856	3.5
202.01826	19.1
209.02788	9.9
210.03606	7.7
214.03627	7.6
216.07875	1.0
223.04292	1.3
225.05927	35.5
226.06279	1.7
230.01288	6.8
231.01411	1.0
247.00638	0.8
248.02359	6.8
262.03094	1.5
277.05447	2.4
278.09888	0.8
300.12433	1.5
306.13416	1.9
307.17548	1.6
308.18030	1.1
334.11145	2.8
378.10342	4.0
380.17383	1.3
416.67538	0.9
422.09134	7.4
439.22174	1.4
440.10162	2.5
440.19522	2.8
441.15741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03976	0.7
54.93867	0.6
64.01933	5.8
65.00349	2.9
65.99850	42.5
68.99841	0.9
73.17375	0.6
88.01957	2.5
89.99887	1.5
96.00905	1.4
102.66566	0.7
105.02245	1.1
105.50690	0.8
106.03020	0.8
108.00906	4.4
118.62370	0.8
120.00928	2.1
121.14377	0.7
124.00475	0.8
132.00958	2.4
133.01752	2.6
136.00421	7.4
141.09895	0.7
142.06648	2.2
143.05063	1.0
145.06650	0.9
148.00458	1.6
149.01221	2.2
151.00441	1.0
157.50377	0.7
158.06105	1.3
161.01294	1.8
163.99924	5.0
169.06648	1.8
170.06163	3.3
171.04518	13.2
175.99898	29.1
176.01424	1.5
177.00522	1.6
189.00745	3.2
191.99553	0.9
192.08223	0.9
194.06137	1.8
198.05676	3.4
208.07715	1.8
210.05655	0.8
212.07175	1.8
213.05615	1.1
224.07202	1.6
236.07227	2.8
238.05095	5.4
240.06693	5.5
252.06819	1.8
255.06602	2.0
264.06628	1.2
265.34369	0.8
268.06177	27.0
269.06631	2.1
280.06165	100.0
281.06442	7.4
292.06183	1.1
308.05801	1.7
309.06528	0.9
318.07639	1.0
326.12012	1.0
336.04938	2.0
396.12469	4.4
412.11935	36.6
413.12143	4.2
440.11313	26.7
441.11349	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	440.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42406	0.9
61.77137	0.8
65.99834	1.0
70.91799	1.4
80.03912	0.8
115.05559	1.0
117.07095	2.3
118.03009	1.4
119.02268	0.8
122.02512	1.4
123.03303	2.4
130.04253	5.0
134.02484	1.8
135.03282	2.4
136.00429	1.9
143.05063	3.5
143.35475	1.0
145.06606	70.9
146.02490	10.0
146.06946	2.9
151.02740	1.9
161.04887	0.9
162.01994	1.1
164.03543	2.5
166.01483	1.1
171.04507	1.3
179.02304	1.0
189.04272	1.2
189.99916	1.6
190.01479	17.4
192.02997	1.7
203.02328	2.2
216.02937	2.0
226.08711	2.1
228.06693	1.2
242.08229	22.5
243.08554	1.8
245.03256	2.0
252.06677	10.5
266.08139	1.9
268.06281	1.1
270.07758	22.9
271.08167	1.7
280.06281	1.1
292.09775	1.0
294.07745	62.4
295.08066	4.6
308.04910	1.5
310.10791	1.1
325.95990	0.9
349.09686	1.9
412.11703	1.2
440.15106	100.0
441.15366	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	440.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	33.8
62.87498	0.5
64.30211	0.5
65.00323	4.2
65.99849	2.8
68.99824	1.1
70.28577	1.3
81.02171	0.5
86.73993	0.6
90.11417	0.6
97.01668	0.7
103.00690	0.6
104.05101	0.8
107.00161	1.2
108.00938	0.8
109.01698	1.8
109.35530	0.5
110.00107	0.7
115.05615	0.5
119.00174	0.5
120.00920	2.0
121.01699	1.0
135.06975	0.6
136.00415	1.1
140.05084	1.5
141.07114	1.2
143.05028	1.0
145.06636	0.6
146.02516	1.6
147.03236	0.8
148.04068	3.3
150.01997	0.7
156.08209	5.4
162.01962	0.8
165.00699	6.3
167.05008	0.6
169.06619	1.8
171.04538	4.5
173.06110	1.0
175.02734	0.9
178.06636	0.7
180.08199	4.7
182.09683	0.7
184.07707	2.7
189.00650	0.6
190.01443	4.2
190.06644	1.9
198.09294	2.1
203.02301	1.3
206.06172	1.3
206.09831	2.4
208.07675	1.5
210.05579	0.8
212.04857	0.6
216.02982	1.7
220.07733	1.4
222.05696	1.0
222.09218	1.9
223.06381	0.7
224.07167	1.6
225.05547	1.0
226.08719	7.5
234.05634	5.4
235.06230	0.7
241.07402	0.6
242.08237	1.1
248.07202	0.8
250.05092	0.8
250.06248	0.6
250.08754	4.9
251.05893	1.0
252.06674	3.1
254.05981	1.3
262.08865	0.8
266.08319	1.6
267.05579	0.8
268.06165	2.3
269.06882	3.6
276.06735	0.7
278.04608	15.0
279.05005	1.2
289.07428	0.5
292.06271	1.2
292.09763	0.9
294.07773	12.7
295.08188	1.3
304.06381	1.1
304.96588	0.6
306.07703	1.3
307.08560	2.2
312.14188	0.9
320.09338	0.7
336.08801	0.6
340.09888	4.3
349.09659	1.0
354.11392	0.9
354.15195	0.9
380.12997	2.9
382.05673	0.5
382.10864	37.1
383.11234	5.2
398.13980	52.1
399.14291	6.5
422.14032	1.1
440.15070	100.0
441.15460	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	440.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91610	21.1
55.73256	20.7
59.01385	100.0
61.98824	18.6
62.63823	22.3
65.39067	20.5
71.24302	22.6
71.42107	19.3
80.40965	19.6
126.92924	22.4
135.04543	40.1
163.04083	28.4
178.06395	51.4
193.08698	50.1
193.64326	24.3
209.15549	20.5
209.27896	25.9
332.03140	21.1
343.46078	22.4
427.02057	27.3
441.19928	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69990	1.3
59.01387	40.6
60.01729	1.4
61.98838	100.0
62.49393	1.2
63.77383	1.3
67.35516	1.2
71.01398	3.6
72.95180	1.3
73.02945	2.0
89.83250	1.3
92.13411	1.2
101.02473	2.9
109.02937	2.2
117.03497	4.0
119.05057	2.0
130.08800	2.1
131.40692	1.3
133.02977	5.3
135.04552	4.6
161.02536	1.6
161.04462	1.6
165.00055	1.6
201.02014	4.4
207.13817	2.2
237.15038	6.2
284.03397	2.4
291.18146	2.5
297.00497	2.5
330.99191	3.8
332.60516	1.5
346.01602	2.3
361.03973	13.8
373.16879	1.4
409.09369	5.2
440.13687	1.8
462.28195	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01383	100.0
60.01722	1.3
62.37316	0.4
63.53882	0.4
69.32743	1.7
69.33152	0.7
71.01389	14.8
72.99325	1.1
73.02952	7.4
75.00901	0.6
76.65824	0.4
77.39001	0.5
83.01396	1.9
83.07722	0.5
85.02956	5.8
87.00885	1.3
89.02446	4.2
89.06093	0.6
91.49506	0.5
93.03466	1.3
95.01390	1.1
99.00912	1.2
101.02454	12.0
101.03109	0.7
102.02803	0.9
103.53637	0.4
107.51408	0.4
113.02454	6.2
117.03490	2.0
119.03539	2.3
119.05032	1.0
121.02979	3.2
125.02483	0.8
125.66936	0.4
127.00394	0.5
131.03642	0.4
135.03191	0.5
135.04506	1.0
159.03040	1.2
161.02461	1.4
161.04564	3.6
233.10408	1.6
251.11365	23.9
252.11697	1.1
293.12424	11.8
294.12775	0.7
309.18204	0.8
380.14862	0.4
397.59149	1.0
398.16333	0.9
411.08420	0.5
418.78403	0.5
441.14227	1.9
441.22742	2.2
441.30753	0.8
442.15704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13987	0.7
57.03455	100.0
58.03783	1.5
59.01390	4.5
72.02123	0.8
81.03463	9.7
94.07029	0.7
99.04531	26.5
100.04882	1.1
101.02454	23.5
106.45287	0.8
121.02974	2.9
125.02472	5.3
135.04584	2.4
143.03427	1.1
149.02461	25.6
160.94417	0.9
162.03275	1.3
163.04034	3.7
164.04811	36.4
165.05116	2.0
177.05579	1.4
178.06393	1.3
179.07156	19.5
180.07640	0.9
193.01416	6.4
208.03806	18.2
209.04257	1.0
222.05365	3.4
223.06142	35.4
224.06627	1.2
274.47864	0.9
279.08734	1.1
297.09802	34.2
298.10062	2.1
339.10876	21.7
339.14752	1.7
340.11194	2.9
340.47916	0.9
379.14035	20.7
380.14468	2.2
421.10040	0.8
441.13937	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.64425	0.8
59.01386	100.0
60.01733	1.1
71.01392	11.0
73.02948	3.8
78.95893	1.0
83.01400	1.2
85.02951	5.1
89.02444	2.6
91.45366	0.9
95.29697	1.0
96.00951	1.1
99.00889	1.4
101.02441	8.3
113.02463	3.7
117.03510	1.2
118.34485	1.0
119.05061	1.4
121.02980	4.8
124.35870	0.9
128.03551	1.9
135.04520	2.3
159.02942	0.9
161.04544	2.5
172.26457	1.1
193.08453	1.3
233.10205	1.2
251.11345	11.3
293.12323	7.3
381.12061	2.2
441.14255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60122	0.9
65.00338	1.8
65.99852	25.4
68.99815	2.6
69.69516	3.6
89.99837	1.7
92.99810	3.3
93.99339	2.9
98.02475	8.8
99.00895	3.6
104.20036	0.9
108.00925	2.7
116.05085	8.9
120.00901	1.5
120.99331	3.9
121.54183	0.9
123.00925	5.8
124.00391	1.6
129.08112	0.9
131.00092	3.4
132.00926	1.7
136.00392	2.3
140.05026	1.7
142.06625	4.7
148.00430	10.4
154.05388	2.5
155.06047	1.0
156.04553	1.4
156.76793	0.9
157.06580	1.9
160.00359	1.1
167.06183	5.5
171.03177	0.9
171.04543	3.5
173.06076	6.2
174.02028	1.2
174.99113	44.2
175.99863	11.4
180.00642	2.8
181.07762	2.9
182.06076	1.8
183.05681	1.8
187.99985	6.4
191.06119	2.4
191.99464	2.6
194.00974	11.7
194.06046	1.7
195.04506	3.7
197.06071	3.2
198.05672	1.3
204.07008	2.1
205.07698	4.2
206.06261	1.1
207.01736	16.5
207.05634	3.4
208.02373	2.6
209.07228	42.6
210.07559	2.6
218.30161	1.1
219.05609	1.2
220.06424	1.3
222.05583	1.3
223.04033	1.1
224.04762	1.0
224.07133	1.5
225.05576	22.6
226.05795	1.2
233.07181	23.5
234.07747	1.3
235.05159	4.3
236.07217	3.4
237.04169	1.1
238.05000	2.2
240.06882	2.3
246.07924	1.6
248.05824	5.4
249.06714	1.7
250.05106	2.2
251.03424	2.2
252.04294	20.1
252.06638	1.7
253.04810	3.2
261.06601	1.8
266.04526	3.3
273.06717	1.0
274.07501	1.3
275.04648	1.1
276.05484	1.8
277.06171	47.8
278.06549	2.3
279.05365	4.0
280.06146	14.7
280.30679	0.9
289.06171	2.9
290.06876	3.3
292.06177	1.8
298.07169	5.3
303.04178	11.8
303.07458	1.9
304.04474	1.3
305.05698	14.3
306.05869	1.3
312.08844	4.3
318.06503	2.3
322.05960	2.1
323.12152	1.3
335.12244	1.1
337.08362	17.2
337.12808	1.5
341.12860	1.2
363.11349	4.1
365.12915	9.2
366.06229	2.3
367.10934	3.7
372.07651	1.1
381.12427	3.1
382.10788	4.0
391.10858	17.5
392.11234	2.7
409.11951	100.0
410.12335	15.1
441.14603	28.2
442.14764	4.8
461.62610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	9.4
59.01380	14.7
61.98821	1.9
64.19638	1.9
70.30653	5.2
71.01388	7.2
81.47601	1.6
85.02959	4.3
85.45741	1.6
89.02462	8.5
95.01402	1.8
98.22607	1.6
101.02441	3.7
112.08845	2.9
113.02477	2.8
113.03623	4.0
114.05627	15.4
119.04993	2.0
129.10400	8.2
130.08704	2.1
131.04662	8.2
131.08284	99.8
132.08612	2.7
146.08092	1.9
154.08858	1.9
156.07777	5.1
161.06116	4.2
173.10458	48.9
179.05676	4.2
179.07185	5.3
200.17668	22.7
208.13455	3.8
225.16113	3.6
242.18765	2.8
249.84276	1.7
267.17252	2.0
269.22168	1.9
286.18686	2.2
313.26108	29.9
338.25717	2.8
341.12408	7.8
355.28201	8.0
397.24545	3.2
399.26111	13.4
406.19971	2.5
441.23447	4.8
441.28397	100.0
442.28555	5.6
452.35254	1.8
460.69427	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	441.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20892	4.7
57.86065	5.2
59.01384	100.0
59.99710	6.0
62.56148	5.9
64.79888	5.4
71.01371	10.2
71.04898	6.2
71.06815	5.8
88.98805	15.8
89.02435	7.6
101.02456	11.2
101.57827	5.9
119.05036	13.3
128.03517	27.5
157.94504	5.4
160.64902	5.6
161.02426	8.6
193.08438	12.4
212.02727	6.1
264.63953	7.5
295.17245	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	441.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02055	1.0
59.01386	100.0
69.03452	1.3
69.43707	3.7
71.01389	27.7
72.99352	1.5
73.02957	97.2
74.03320	1.9
83.01395	22.0
85.02988	2.9
87.00900	1.1
89.02457	6.2
90.98641	2.0
99.00892	1.0
101.02456	48.1
102.02754	1.0
113.02457	10.7
117.03457	1.3
119.03532	2.5
119.05048	1.2
121.10300	3.4
122.02512	1.0
125.02478	1.6
131.03580	2.5
135.04599	1.4
143.03557	4.2
149.04590	2.2
155.03615	1.8
161.04561	8.7
165.50476	1.0
175.14940	15.5
179.65326	0.9
180.94878	1.0
219.13911	25.3
220.14165	2.0
229.14465	1.3
237.15013	3.2
275.57486	1.0
351.17752	3.1
359.08093	1.3
369.18817	7.5
399.20407	2.8
441.21594	31.9
442.22076	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01810	0.4
51.98496	0.4
57.03444	0.4
59.01384	100.0
60.01715	1.2
65.00336	0.8
71.01382	6.8
71.43873	0.5
73.02951	7.1
83.01402	1.5
85.02975	1.7
87.00903	0.5
89.02453	4.4
95.01401	0.6
101.02442	5.7
102.02846	0.5
111.44521	0.4
113.02488	2.9
116.92911	1.2
117.03529	1.0
119.03524	1.8
119.05075	1.4
121.02976	0.6
131.03540	0.6
133.03018	0.4
135.04561	0.9
136.98851	1.6
143.03537	0.5
161.04712	0.4
187.04097	0.4
255.03018	0.7
283.02478	0.8
284.03284	13.4
285.03693	0.8
299.05630	9.5
300.05960	0.8
324.01108	0.9
361.04056	0.9
366.02457	1.6
381.04800	1.8
441.21219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18901	0.6
59.01385	100.0
60.01715	0.6
61.98838	1.2
69.23396	3.4
71.01392	8.1
72.99368	0.7
73.02957	8.4
75.64738	0.7
83.01405	2.1
85.02982	2.0
89.02462	5.5
93.03478	0.7
95.01452	0.8
101.02459	7.6
101.50880	0.5
112.16166	0.6
113.02451	5.0
116.43234	0.6
119.03535	1.6
119.05066	1.0
133.02992	0.9
135.04587	2.1
137.02518	0.6
138.86504	0.6
139.77917	0.6
141.01750	1.0
161.04602	1.1
171.46844	0.6
179.05623	0.5
199.80353	0.6
229.14534	0.6
278.12057	0.6
441.12271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16121	2.2
59.01386	100.0
66.14917	2.0
69.67271	5.6
71.01396	7.2
73.02966	9.4
75.28720	2.2
83.01387	2.9
85.02953	2.3
88.98805	11.4
89.02469	5.7
101.02461	4.7
119.03564	2.5
119.05015	3.2
135.04550	3.4
138.04254	2.2
138.66347	2.5
168.64154	2.0
176.98611	2.1
233.11722	4.4
351.21487	4.0
405.14410	2.7
454.88239	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	441.2497
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.03448	0.3
59.01385	100.0
60.01701	0.6
69.24175	1.1
69.24583	1.0
70.63940	0.3
71.01388	4.4
73.02956	1.3
83.01369	0.4
85.02972	1.2
89.02463	3.5
93.03443	0.8
95.01373	0.6
98.22607	0.9
101.02447	2.1
113.02464	1.8
119.03510	0.9
123.21979	0.4
135.04552	0.4
137.02501	1.1
138.32050	0.5
143.24811	0.4
246.82552	0.4
327.70496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.6
60.06859	0.4
64.97025	0.8
69.28015	1.7
79.95741	12.8
80.96529	1.3
94.98082	0.8
95.95238	3.2
96.96020	92.3
118.34090	0.3
122.97604	5.6
139.47726	0.3
162.83943	0.3
167.00198	1.2
183.17468	0.5
441.25290	100.0
442.25604	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	441.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50261	0.7
54.97387	0.7
57.44761	0.8
59.01384	6.2
61.88025	0.8
61.98829	1.5
63.45717	0.6
66.03472	0.9
66.47414	0.8
69.07814	2.4
69.08223	2.9
71.01377	1.9
71.02473	0.7
73.02937	2.0
74.02459	1.3
81.07157	0.7
82.02493	0.7
82.06625	2.3
84.00915	4.7
84.01375	0.7
85.02949	1.3
85.06541	0.7
88.04073	0.8
89.02441	0.9
91.20022	0.7
93.03431	1.1
96.96023	1.1
98.21928	1.8
108.18427	0.9
109.02946	0.9
110.06126	0.8
112.07707	3.9
113.02459	1.1
114.05624	80.0
115.05202	1.3
115.05967	2.6
119.05005	1.4
127.08801	1.1
128.03543	1.6
129.10359	79.3
130.08736	1.9
130.10672	3.2
139.08762	5.0
141.10402	4.7
152.07178	6.1
153.05673	0.8
153.06706	5.4
154.06157	0.8
167.08308	5.4
169.09869	11.6
171.07803	6.4
184.10855	1.2
185.09261	1.7
195.15063	1.8
197.16649	2.2
199.18196	1.1
225.16048	3.1
227.14110	0.9
238.19307	2.1
240.17215	12.3
241.17397	0.9
243.17110	1.5
278.78104	0.8
282.18277	9.2
282.62555	0.8
283.59833	0.8
296.18472	1.1
326.20959	3.8
353.25641	14.8
354.26050	2.0
397.24597	100.0
398.24887	9.2
441.18735	0.9
441.27441	12.6
442.27051	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30969	21.3
59.01356	22.3
69.20734	16.1
69.33929	100.0
74.26743	16.6
74.99102	20.3
77.48096	16.3
89.29629	16.0
98.21845	37.4
118.96964	15.7
142.26338	19.9
171.10222	19.3
227.05998	29.0
269.07153	34.0
269.09866	20.2
283.02551	36.3
297.67477	18.7
331.75491	17.3
333.75095	19.8
343.24747	18.4
350.36426	17.5
381.19693	33.6
441.15457	20.5
441.28076	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	442.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73038	2.3
55.22285	2.4
65.00336	4.0
65.99837	11.1
67.43186	2.3
67.91582	2.1
68.99823	5.2
82.02981	2.8
90.03560	2.2
108.00919	2.5
109.01704	8.0
110.02459	4.4
118.03010	6.9
120.00940	5.5
121.01716	7.1
122.02592	3.0
129.01979	4.9
130.99863	4.1
134.02505	3.9
135.46283	2.1
136.00420	19.4
137.01257	2.7
146.02495	10.8
150.02002	16.2
162.01959	9.9
163.00420	2.6
163.99867	15.5
165.00671	20.4
168.03857	2.3
171.04529	6.4
175.02763	2.9
175.99864	6.5
178.01486	6.2
180.80286	2.1
190.01456	19.2
203.02260	5.0
212.07104	3.1
213.05641	3.3
216.03030	2.9
218.01050	2.8
221.27460	2.6
226.05177	3.3
228.76282	2.5
239.03506	3.6
240.06680	7.0
252.06650	10.6
254.08284	7.9
255.06734	4.1
266.08267	14.6
267.03012	4.9
267.06628	3.0
268.06174	47.8
269.06900	13.6
270.07657	5.9
276.06747	3.3
278.08353	3.3
280.06180	15.2
282.07748	55.9
283.08084	6.7
294.07755	100.0
295.08017	6.9
296.05630	9.4
310.07346	21.1
311.07611	2.5
322.07266	17.5
326.10306	3.3
338.06635	26.9
342.09836	60.5
343.10263	4.4
366.06265	17.6
370.09387	20.0
398.08856	38.9
398.13745	4.3
399.09119	5.4
442.12604	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	442.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73521	1.2
65.00328	2.7
65.70866	1.3
65.99846	4.5
69.83079	2.0
69.83406	2.9
75.00878	26.2
82.02982	2.6
93.46221	1.4
94.03021	1.5
96.00887	1.8
96.99307	5.8
103.00394	4.9
106.02995	2.0
108.00922	1.8
110.02485	6.1
116.05044	1.4
120.00927	3.1
122.02486	2.5
129.49930	1.4
130.99879	72.1
134.02492	3.6
135.03252	1.8
136.00417	6.9
136.98769	2.7
150.01993	19.2
151.00394	1.9
162.01953	5.5
163.99942	6.7
171.04503	3.6
174.01924	3.2
175.99940	6.1
177.00558	1.7
178.01471	8.2
179.07419	1.9
190.01430	4.2
190.98671	6.4
191.99358	2.1
193.98764	1.4
204.03024	1.4
206.00928	7.4
211.07637	1.3
212.07178	5.8
218.00916	4.7
224.07043	1.5
234.00400	3.6
239.03490	5.1
240.06648	5.1
242.08313	4.6
254.08224	11.2
255.06633	6.9
266.08167	3.8
267.02933	6.9
267.05386	2.7
268.06131	14.3
269.06656	1.8
270.07715	11.5
280.06110	15.2
282.04657	2.8
282.07745	55.2
283.08078	4.9
294.07779	10.8
295.04834	2.9
296.05597	6.6
310.07257	28.4
311.07721	2.4
322.07294	6.7
338.06723	9.1
342.09827	1.6
366.06204	100.0
367.06497	11.2
370.09207	4.1
398.08777	5.0
414.08261	4.8
442.07825	39.9
443.07974	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	442.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	8.2
59.01387	7.0
65.00340	7.4
65.99860	25.3
68.99825	13.2
71.01395	2.9
83.01398	7.5
90.44668	2.1
93.03466	14.9
96.00904	2.7
96.99326	6.6
98.02455	2.6
98.22630	4.5
99.00896	7.7
101.02464	3.9
101.23011	1.9
107.01393	5.3
108.00914	3.8
118.03006	5.2
119.05038	100.0
120.00932	5.3
125.02445	3.3
127.00391	53.7
127.01325	3.0
132.00880	2.2
134.02502	3.8
136.00438	27.9
138.01994	6.2
139.99937	6.7
145.01736	2.3
145.02898	4.9
146.02510	7.2
148.00424	2.4
149.01257	4.5
149.02451	5.6
150.01970	6.1
151.00375	22.0
157.01459	15.7
159.03047	2.3
162.01994	7.8
163.99922	39.6
164.03604	2.9
164.04836	8.4
165.05151	4.5
174.01959	4.2
175.99905	33.6
177.00633	4.4
177.99966	2.0
178.01477	7.9
179.07161	4.6
180.07536	4.5
187.04041	5.9
189.99908	3.3
190.01466	23.4
191.99329	2.5
192.03058	8.1
196.02489	4.6
201.66106	2.0
202.01613	6.2
204.02994	4.1
206.00928	4.2
208.02533	3.1
218.00987	17.4
220.02597	5.6
232.02576	3.3
234.00513	5.0
236.02069	3.6
248.02068	5.7
256.06247	3.1
261.99969	8.6
269.04648	4.1
271.06119	30.9
282.04181	3.9
284.05707	43.9
296.05856	25.6
298.07245	3.9
298.10233	5.4
310.07553	3.6
312.05435	2.5
324.05188	8.4
326.06702	4.8
338.06818	5.4
339.10959	3.3
340.11191	3.0
354.06146	7.4
380.14328	6.9
382.05710	94.6
383.06091	8.4
412.06781	18.4
413.06763	3.2
424.31448	2.0
442.07892	73.0
442.14160	4.3
443.08307	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	442.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76772	0.4
57.54846	0.3
59.77638	0.3
65.00325	0.9
65.99851	0.6
69.11184	1.0
69.11586	1.5
77.06100	0.3
96.00932	0.6
107.03839	0.4
108.02180	1.4
109.02961	2.9
110.02490	3.4
120.00902	0.5
121.01720	0.5
122.02515	1.2
123.03272	4.6
133.01721	0.7
134.02501	3.7
134.03482	0.5
135.03290	5.3
135.04539	1.9
136.00426	2.3
136.98885	0.5
138.01965	2.1
138.84677	0.3
151.02783	4.9
155.02299	0.7
155.90190	0.4
161.01225	0.9
161.02458	0.8
166.01508	1.0
171.04572	0.6
173.06076	0.6
184.07692	0.7
190.06699	0.5
192.03014	2.9
192.08192	1.6
197.06068	0.6
199.07724	0.4
200.07167	1.5
206.06154	0.7
208.07689	0.7
210.05771	0.6
212.26819	0.4
224.07201	1.5
225.05876	0.7
226.08783	2.0
228.06703	0.9
234.05679	1.2
238.05399	0.4
239.03526	1.1
242.08249	37.8
243.08546	2.4
252.06703	3.6
264.06445	0.6
267.02966	2.3
268.06238	0.7
270.07727	100.0
271.08109	6.6
278.04666	2.1
280.06177	12.8
281.06607	1.1
296.05814	0.7
306.04129	4.9
307.04550	0.7
320.05658	1.1
332.05743	2.3
385.43338	0.4
396.08752	1.1
406.05981	0.5
424.08203	3.1
442.09293	20.4
443.09689	3.2
447.07999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26001	0.3
57.50639	0.3
65.00330	0.9
68.99818	0.5
70.15038	0.9
80.01405	0.3
82.02959	0.4
96.00941	0.6
103.51823	0.4
110.02515	2.9
120.00910	0.4
122.02485	1.3
123.03277	4.5
124.00414	0.5
134.02487	4.3
135.03278	5.3
135.72188	0.4
136.00417	3.0
136.98813	0.5
138.01988	2.5
145.02950	0.4
151.02759	4.5
155.02260	1.4
156.36246	0.3
157.06621	0.5
166.01465	1.5
166.55641	0.4
171.04550	0.4
173.06099	0.6
181.06702	0.4
192.03023	2.2
197.06068	0.5
198.19739	0.3
199.07648	0.7
200.07248	1.0
224.07272	0.8
225.05724	0.5
226.08694	1.9
228.06717	1.9
239.03471	1.5
242.08258	38.4
243.08585	3.4
252.06802	0.9
267.02985	2.0
268.06137	0.3
270.07733	100.0
271.08060	8.4
296.05792	0.7
300.33929	0.4
442.13168	0.7
453.32083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97082	0.3
65.00327	1.0
65.99847	0.9
71.41636	0.4
80.01452	0.4
82.03006	0.4
82.16800	0.3
94.03014	0.5
95.01406	0.6
98.02496	0.4
99.22980	0.3
108.02236	0.6
109.02939	0.5
110.02487	3.3
122.02523	1.5
123.03279	4.5
124.00384	0.5
129.07112	0.4
133.01704	0.6
134.02502	4.5
135.03297	5.3
135.04407	0.4
136.00418	2.3
136.98793	0.9
138.01999	2.0
145.03014	0.4
151.02776	5.1
155.02234	1.3
155.03377	0.3
157.06679	0.4
166.01445	1.1
171.04448	0.9
173.06187	0.4
179.02347	0.5
192.03041	3.1
192.08257	0.5
197.06056	0.7
200.07214	1.0
206.06203	0.5
224.07243	1.0
225.05643	0.4
226.08719	1.6
227.07088	0.6
228.06712	1.9
239.03496	2.1
242.08244	40.6
243.08592	2.6
252.06740	1.4
254.05592	0.4
263.87048	0.3
267.03046	3.3
268.06137	0.4
270.07733	100.0
271.08096	8.0
280.06189	3.4
281.06567	0.4
296.05469	0.3
306.04181	1.5
332.05511	0.7
424.08304	1.1
442.09006	5.5
443.09912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1351
Annotation	(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one
Peak:m/z	Relative Intensity
55.64082	0.4
59.01381	0.8
61.78314	0.4
65.00329	1.5
67.01894	5.5
69.03457	4.2
70.54351	1.0
78.03818	0.4
89.03994	0.5
91.01904	0.8
91.61789	0.4
93.03452	2.8
95.05039	0.5
97.02960	2.1
99.00878	0.9
99.04548	0.9
108.02194	0.5
108.29156	0.4
115.04050	2.9
116.02679	0.6
117.03480	100.0
118.03800	3.3
119.05026	1.4
121.02942	0.9
121.06613	0.9
123.04571	2.7
125.06141	0.5
127.04044	0.6
129.05602	1.5
130.20230	0.4
135.00905	0.5
143.05074	1.0
144.21077	0.4
145.02977	0.6
145.06638	0.8
151.04024	2.0
153.05562	0.7
159.04546	1.7
161.02499	0.8
167.03560	0.5
169.06616	0.8
175.04031	3.6
177.05649	0.5
181.05101	1.2
183.04521	0.5
185.06105	2.8
189.05585	0.7
208.05392	0.6
209.06126	2.0
215.07158	0.8
217.05066	0.5
223.07712	0.5
227.03537	1.5
227.07227	2.1
235.03986	1.2
237.05612	3.5
243.06641	0.5
251.83955	0.4
253.04935	0.7
255.02979	1.6
255.06628	0.5
259.06137	1.7
269.08197	2.3
281.04703	0.5
287.05658	0.9
295.06137	11.0
296.06696	1.0
307.09784	0.8
313.06979	0.6
339.12085	0.6
353.19180	1.2
371.20322	0.8
393.10007	1.0
411.10797	0.6
425.12396	3.9
426.12793	0.6
443.13510	86.4
444.13782	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	443.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	12.3
60.97530	1.6
65.00316	1.4
68.99815	2.0
81.56527	1.4
83.01379	1.8
85.02972	1.4
87.00905	9.5
93.03474	6.9
96.96030	14.9
101.02438	4.2
117.03482	100.0
118.03849	4.5
119.05047	6.0
127.47945	2.0
133.03036	3.9
135.04588	3.3
137.02380	2.0
144.25478	2.0
145.02963	3.8
157.06650	1.8
159.04535	2.7
161.02426	3.6
173.06047	2.0
179.03464	2.5
185.02489	3.7
187.03986	1.9
189.05663	2.1
203.07207	3.8
205.04947	2.3
206.02046	1.6
210.03304	1.9
217.05075	2.5
219.03011	1.9
221.08218	3.4
231.06630	3.2
234.06763	2.3
235.04080	1.9
239.07265	1.9
241.05093	2.4
259.06140	2.7
261.07730	2.8
263.09311	5.0
265.05209	1.6
265.08932	3.4
276.04291	3.0
277.05112	1.8
277.08743	1.9
278.05817	1.9
279.03186	2.0
281.08051	2.5
290.05951	2.9
291.06335	7.6
293.04752	2.3
293.08209	1.6
294.05533	1.8
305.07962	2.0
306.05450	2.0
307.09824	1.7
309.07654	2.3
321.07776	7.8
322.08557	1.9
323.09262	18.0
324.09610	2.7
333.07709	2.5
334.04776	2.9
335.09583	3.4
337.10907	7.7
349.07150	7.6
350.07990	4.7
351.08817	5.0
353.06741	5.7
361.07208	3.2
363.16675	2.4
365.10294	10.1
367.11929	4.9
379.08191	2.3
381.09836	81.6
382.10168	8.9
383.11490	12.8
411.10968	5.6
425.12750	5.2
443.13647	99.3
444.13916	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	443.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05973	0.9
53.14012	0.8
59.01385	16.1
61.98827	2.5
65.00326	3.6
68.99812	1.4
69.03453	4.2
69.13990	4.6
71.01379	3.6
71.77882	0.9
72.97544	2.0
73.02960	5.8
83.01376	1.0
83.80536	0.9
85.02956	1.0
86.49593	1.0
87.00865	6.0
93.03471	7.6
95.01411	1.9
101.02467	3.7
108.02177	0.9
109.02951	1.4
110.00090	1.4
113.02445	1.2
117.03478	97.6
118.03806	4.7
119.01389	1.3
119.05054	4.5
121.03002	1.0
125.02455	7.4
127.03992	1.1
133.02969	2.3
133.46043	0.9
135.04549	6.5
136.01665	2.6
137.02434	1.3
143.05048	1.5
145.06580	2.0
149.02559	1.3
149.06093	1.5
157.53033	0.9
158.03719	1.4
159.04532	3.5
161.02467	8.1
161.06058	2.4
163.04080	1.2
164.01155	3.2
165.01933	2.1
167.03558	1.7
171.04555	1.5
173.06183	1.6
175.04070	1.5
177.05605	1.8
179.03526	7.6
183.04440	1.2
185.02443	5.4
187.03998	4.0
187.07727	1.6
188.04831	1.4
189.01981	1.0
189.05585	2.8
190.99942	1.4
193.05013	1.5
194.05911	1.4
199.04007	2.3
203.03532	3.3
203.07220	4.7
205.05078	3.0
210.03238	1.7
211.04070	1.6
215.03600	1.2
215.07066	1.2
217.05057	3.6
221.04530	2.1
221.08218	2.3
222.05220	1.6
227.03569	2.9
229.05191	1.0
231.06662	4.0
234.06882	1.1
235.04085	1.5
237.05627	1.6
237.07735	4.7
239.07291	1.7
247.06133	3.0
249.07635	5.0
255.02968	5.2
259.06198	2.8
260.50607	1.1
261.07733	1.4
263.03351	1.2
263.06870	1.6
263.09290	4.3
265.05151	1.8
265.08719	5.1
266.05966	1.9
276.04315	4.0
277.05103	2.4
278.05728	1.1
281.04868	1.3
281.07648	1.8
281.10580	5.5
283.06317	1.8
287.05737	4.8
289.08905	1.5
291.06476	12.4
292.07336	1.2
293.04669	1.7
293.08105	1.4
294.05301	1.7
295.06018	1.5
306.05200	2.0
307.06079	2.8
307.09567	2.6
321.07721	1.3
323.09283	6.2
327.05121	1.5
333.07709	1.1
335.09393	1.4
339.08731	10.2
339.12344	1.4
341.06836	1.2
349.06924	1.3
350.07980	1.6
351.08771	3.3
355.15939	2.7
365.10370	1.9
367.07932	2.1
367.12039	7.7
368.12488	1.6
379.08316	6.8
381.09805	14.9
382.10406	1.2
383.11441	11.7
393.09842	1.8
396.08914	1.2
399.10696	1.3
411.10916	16.5
412.11285	2.0
415.14063	4.3
425.16464	1.5
443.13507	100.0
443.23221	3.8
444.13843	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	443.1353
Annotation	Rhinacanthin F
Peak:m/z	Relative Intensity
59.01378	3.2
65.00328	2.5
67.01881	0.9
68.99805	1.6
69.63113	3.2
74.34796	0.9
75.76575	0.8
83.01426	1.3
87.58718	0.8
88.08691	1.0
93.03458	4.6
95.01419	0.9
97.02988	1.5
112.22127	0.8
117.03477	25.3
118.03805	1.1
119.05028	1.9
121.02995	1.0
135.04553	2.3
137.06100	1.2
145.06673	1.4
149.06107	4.1
151.00398	1.0
159.04572	1.4
161.02475	1.2
161.06091	2.0
163.04079	1.7
163.07706	1.1
163.84560	0.8
175.04167	1.2
179.07089	1.1
183.04512	2.1
185.02397	2.7
187.07602	1.6
189.05624	10.1
191.07069	1.6
193.08705	1.2
201.05606	1.0
203.07140	5.2
204.66763	1.0
211.04095	1.1
213.05495	1.2
214.06352	1.8
215.07101	2.4
217.05022	2.2
221.08144	1.2
227.03546	2.9
229.05090	1.1
230.02190	2.6
231.06664	6.0
247.17488	1.0
249.07768	2.4
250.06436	1.0
253.04996	1.4
255.02950	1.1
257.04526	1.2
259.06143	3.6
263.09302	2.4
271.02444	0.9
279.03375	1.0
279.10538	1.1
283.05939	1.3
285.04062	1.2
291.08701	2.2
293.04803	1.1
297.10980	0.9
307.09573	1.1
309.07483	1.0
313.03372	1.4
323.09387	1.9
345.05954	1.5
355.12204	1.2
370.89096	1.0
383.11517	4.9
411.10876	34.9
412.11273	4.5
443.13519	100.0
444.13858	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	443.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	6.1
59.01086	2.4
59.01385	47.6
61.98833	15.1
62.16964	1.0
68.78767	0.9
71.01389	30.5
71.39786	1.1
72.99313	1.8
73.02937	2.0
78.95902	2.9
83.01402	1.6
85.02957	4.7
87.00879	2.3
89.02455	43.3
90.02769	1.3
95.01417	1.5
101.02451	100.0
102.02737	1.5
106.57121	1.1
113.01131	0.9
113.02460	12.3
119.03525	12.9
131.03510	2.2
143.03503	2.9
143.70544	1.0
145.06200	1.3
161.04601	5.8
175.11626	1.1
179.05618	21.5
180.05913	1.4
180.95926	1.2
184.29137	1.1
193.03445	1.2
273.87411	1.3
341.10907	80.1
342.11182	5.1
407.36685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
57.03438	5.1
59.01384	100.0
59.56417	1.6
69.03475	3.5
71.01390	37.8
71.01783	2.7
71.41614	2.2
72.99310	6.8
73.02943	10.8
75.00854	2.1
76.92132	1.7
79.95752	14.9
81.03465	1.8
83.01385	6.7
85.02956	35.4
87.00883	7.1
89.02450	8.2
95.01402	5.2
95.05034	2.4
96.96043	2.4
97.02961	8.4
99.00890	9.2
99.04537	1.9
101.02445	26.0
109.02988	2.9
111.00879	5.0
112.01691	3.7
113.01715	3.2
113.02451	39.9
119.03476	1.7
119.05003	3.4
125.02439	8.0
127.04008	2.8
129.01985	2.1
135.04555	2.7
137.02472	4.4
143.03502	6.6
145.02969	1.9
155.03546	2.2
159.03058	3.6
161.04562	13.1
167.03499	1.9
179.05695	1.9
196.99983	3.4
215.05629	2.4
221.05942	1.7
221.11824	5.3
236.97835	10.8
243.21384	1.8
263.09247	2.4
263.12750	1.8
267.03128	1.7
269.10312	14.3
271.06088	2.3
299.01813	4.3
311.11322	5.7
314.04434	3.9
333.97699	1.8
337.50018	1.8
381.15790	2.3
383.13489	31.8
384.13681	3.8
401.14508	44.7
402.14917	5.1
443.15018	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08717	1.1
55.01884	2.8
57.03450	2.6
59.01385	100.0
60.01699	1.6
69.03463	1.6
69.79659	2.7
69.80035	2.8
71.01389	31.4
73.02951	17.8
76.41130	1.3
83.01398	5.1
85.02956	14.3
87.00880	1.3
89.02459	6.1
95.01417	1.8
97.02939	1.7
99.00881	8.4
101.02450	25.2
113.02467	14.7
120.76919	1.1
125.02464	2.3
135.35179	1.2
143.03494	2.2
155.35184	1.2
159.03024	2.4
161.04587	14.6
166.05389	1.4
219.54875	1.3
221.11845	3.0
251.09297	4.3
263.09253	2.6
269.10330	25.2
270.10803	1.6
297.28946	1.3
311.11368	5.0
383.13644	2.1
401.14584	45.0
402.14758	3.8
443.15479	33.0
443.21268	1.9
444.15680	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	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.2
57.03453	3.2
59.01385	100.0
61.98836	14.9
69.03477	3.4
69.15638	7.5
71.01391	38.3
72.99316	4.9
73.02959	16.4
75.00893	2.6
81.03453	2.4
83.01405	6.2
83.05029	1.5
85.02963	33.7
87.00877	9.0
89.02473	6.2
93.03448	1.9
95.01399	7.5
97.02961	7.8
98.21893	2.7
99.00896	8.2
99.04521	1.4
101.02454	24.0
107.01421	1.4
107.05064	1.2
108.02240	1.7
108.08865	1.1
109.02984	5.3
111.00893	2.6
111.04565	1.4
112.01690	4.5
113.02464	48.3
115.04039	1.6
121.03017	2.4
123.04578	1.7
125.02412	6.1
135.04558	2.8
137.02460	3.2
143.03525	8.2
155.03537	1.9
159.03035	2.8
160.01691	1.6
161.04584	13.7
167.03506	2.1
173.04625	2.2
175.04105	1.3
185.04535	1.3
203.07214	3.1
205.01489	1.3
211.04056	1.7
215.05632	3.4
216.09949	1.3
245.53722	1.3
257.06891	1.5
267.02893	2.1
269.10306	19.6
270.10632	2.2
296.19040	1.4
297.03915	2.0
311.11465	6.7
323.03815	1.3
383.13495	38.2
384.13586	2.3
401.14554	60.5
402.14957	5.7
443.15302	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	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09524	3.0
59.01385	100.0
61.98834	8.5
69.06973	19.4
71.01384	24.0
73.02955	25.2
74.31850	2.3
76.83941	2.6
83.01378	3.3
83.46072	2.5
85.02957	7.0
89.02458	9.1
93.03472	7.8
95.01378	3.0
99.00931	3.0
101.02469	17.8
104.69579	2.5
108.10849	3.0
113.02455	14.3
119.03539	5.8
119.05032	5.5
120.65267	3.1
128.03508	4.5
129.10304	3.9
130.08772	3.7
135.04521	5.8
137.02402	5.9
149.02414	2.5
160.01695	4.4
161.04573	7.4
161.06087	9.8
175.03978	3.3
179.03467	2.9
179.07143	17.7
179.10820	5.7
181.05043	3.2
197.02518	3.4
263.56924	2.7
313.22342	3.5
323.11383	15.7
341.12393	4.9
383.13550	5.3
399.26041	5.1
443.15396	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	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.1
57.03434	3.7
59.01384	100.0
69.03481	3.1
71.01022	3.7
71.01389	42.9
72.99307	5.8
73.02957	10.8
78.43311	2.0
79.35734	2.3
79.95757	6.8
80.91783	2.1
81.03461	4.0
83.01396	9.0
83.05014	2.6
85.02957	32.4
87.00892	5.8
89.02453	8.1
91.01939	2.0
93.03447	3.7
95.01373	5.7
96.96036	4.0
97.02958	8.0
99.00908	5.4
101.02455	24.0
107.01409	5.4
108.02196	6.4
109.03002	3.8
111.00919	3.0
112.01702	3.3
113.02468	37.5
119.03532	3.3
119.05019	3.5
119.99903	1.8
123.04553	17.1
125.02463	9.1
137.02449	4.9
143.03497	5.2
151.00377	5.8
152.01112	4.1
153.02034	3.4
155.03560	2.8
159.03018	2.7
161.02477	3.4
161.04532	9.8
167.03500	55.7
168.03864	4.4
175.03920	2.4
197.04619	2.6
203.07275	2.3
209.04553	7.4
215.05609	3.5
236.97852	2.7
239.03606	2.1
269.10367	12.9
311.11432	4.9
383.13550	32.3
397.67352	2.3
401.14539	45.0
402.14706	3.7
443.10208	2.0
443.15549	53.3
444.15768	3.8
467.59610	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	443.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98038	9.5
58.99609	80.2
59.01383	5.4
61.98837	100.0
63.96221	1.6
71.01382	8.8
72.92490	1.1
73.02949	3.0
74.99105	25.4
78.95891	1.0
83.01350	1.3
85.02974	5.9
87.00887	31.9
89.02469	1.0
95.01396	1.3
96.96025	2.0
99.00928	1.4
101.02443	4.9
113.02474	4.8
117.97332	3.1
118.98107	3.5
119.05035	1.2
123.00914	3.2
138.03221	1.4
157.06950	7.1
161.04524	3.2
175.08015	4.6
193.09058	5.3
236.02278	0.9
237.04315	1.6
239.03593	1.1
249.06186	17.8
263.09592	40.8
264.09955	2.2
267.02994	1.8
276.82480	1.2
286.27124	1.1
299.04388	2.7
353.37326	1.0
383.08926	1.0
389.95728	1.0
443.10748	1.6
443.16043	23.3
444.16159	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	443.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39965	5.3
59.01382	34.1
60.62058	5.4
61.98842	13.6
62.68896	5.8
85.02953	6.2
93.03459	22.7
96.13530	5.9
97.17555	6.4
101.51641	5.3
117.03485	79.5
119.05021	8.7
121.56051	6.8
133.02950	11.1
134.04700	6.7
135.04544	16.2
161.02434	7.3
161.69046	6.0
173.06108	7.4
185.02351	8.5
189.05598	13.8
203.03552	9.3
209.18958	5.8
285.03873	6.0
288.99393	6.3
300.02777	13.8
301.03564	76.1
314.04337	8.5
367.12033	6.8
383.11783	7.3
391.66370	6.2
401.14832	6.6
411.10794	39.1
443.13770	100.0
444.13568	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	443.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34089	0.3
59.01395	1.7
61.98820	0.4
69.30342	1.7
71.01386	0.5
78.95900	0.4
79.95751	3.7
86.10249	0.3
87.00887	0.4
95.95253	0.6
96.96024	100.0
98.22672	0.4
101.02445	0.6
117.03490	5.1
119.05002	0.5
130.68158	0.3
135.04492	0.3
139.04042	1.1
145.53856	0.3
165.02083	0.3
185.02412	0.4
221.08435	0.3
262.53345	0.3
263.13196	0.5
281.14294	4.1
443.19577	96.4
444.19919	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	443.196
Annotation	Aurantiamide acetate
Peak:m/z	Relative Intensity
51.14053	0.3
59.01368	1.9
63.91465	0.3
69.46445	1.5
71.01393	0.6
73.02959	0.3
78.95920	0.6
79.95750	3.4
79.96171	0.5
83.01434	0.3
86.05066	0.3
89.16294	0.3
95.95238	0.8
96.96022	96.9
98.02084	0.2
101.02432	0.6
117.03484	5.5
117.74847	0.3
118.03897	0.3
135.04529	0.4
139.04041	1.0
160.26753	0.3
185.02487	0.5
189.42159	0.3
200.09319	0.3
217.04929	0.4
244.62585	0.3
249.04832	0.3
253.67635	0.3
257.08157	0.8
263.13293	0.6
281.14261	3.9
293.24197	0.3
323.15347	0.5
443.19568	100.0
444.13904	0.5
444.19940	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	443.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65314	1.1
59.01385	100.0
60.01705	1.3
61.98855	5.9
64.24643	1.0
65.00305	1.5
67.01896	1.5
69.03453	3.3
70.92657	2.0
71.01389	15.0
73.02955	17.1
83.01402	4.3
85.02975	3.5
89.02463	12.3
93.03457	9.4
95.01373	1.2
96.15638	1.1
97.02934	1.3
101.02460	14.6
109.02942	1.2
113.02457	6.8
115.04027	1.2
117.03483	31.3
119.03505	3.3
119.05023	2.3
121.02953	2.4
123.04517	1.9
129.05576	1.5
131.03424	1.2
133.02945	2.0
135.04520	3.2
149.04634	1.0
149.06128	1.4
151.03989	2.2
159.04520	1.2
161.02420	2.7
161.04588	2.8
161.06049	1.1
173.06087	2.2
175.04079	6.3
179.03439	1.2
185.06129	1.3
189.05579	2.2
193.05075	4.5
211.04095	3.2
219.01031	1.9
219.02972	15.6
235.04286	1.1
237.05487	2.3
237.07649	2.9
249.07808	1.1
255.02866	1.5
255.10419	1.4
261.11157	1.0
281.10458	2.5
295.06091	3.7
297.11212	2.3
300.02740	2.1
313.07059	1.2
323.11353	2.0
329.13788	2.1
341.10339	2.5
373.13025	6.3
383.11517	2.2
399.14325	1.1
411.10992	8.4
425.12714	1.5
443.13754	28.7
443.22684	1.9
444.13763	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	443.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00556	0.9
159.08495	5.7
161.06372	1.8
187.78627	0.8
217.07162	2.3
277.07550	3.9
343.12119	1.1
345.13965	1.1
357.13760	3.8
357.37302	0.9
359.15390	100.0
360.15524	14.6
377.16245	1.5
427.21628	53.0
428.21951	8.1
443.24759	8.5
444.24872	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	444.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88556	2.8
59.01381	6.6
61.98838	100.0
70.08453	9.0
73.02959	3.9
78.18829	3.0
78.95879	4.7
101.06104	4.1
102.40471	3.0
113.06109	11.8
115.04017	17.7
115.07646	7.5
116.92847	5.3
117.92883	4.0
121.02973	11.7
122.02473	4.9
132.94455	2.8
135.04623	4.4
205.18457	3.4
255.02928	4.0
258.57834	3.4
269.03760	3.4
283.02518	5.6
284.03204	6.6
309.69025	3.2
445.17703	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	444.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.1
61.39540	7.0
61.98840	100.0
96.96966	7.8
99.92606	30.7
100.93365	14.1
115.04041	15.9
115.92083	15.2
116.92885	54.3
118.89964	7.0
119.05021	8.6
121.48473	6.9
122.29743	6.9
123.95180	7.5
231.87300	8.6
255.03214	8.9
260.18555	8.3
373.11337	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	444.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62806	1.9
57.56790	1.9
59.01366	2.8
65.00319	5.7
69.67490	2.0
71.42058	2.4
81.23581	1.8
85.02939	5.5
87.97105	1.8
95.01384	3.5
96.73653	2.0
113.02439	8.1
116.05054	2.7
119.04268	3.6
119.05045	52.7
120.00909	4.4
120.05349	2.0
123.03269	3.9
134.02467	3.6
135.03244	2.3
136.00404	3.4
136.98817	2.6
145.02945	6.0
151.02722	3.3
164.98335	2.6
166.01508	2.2
167.05025	2.1
169.06572	3.3
171.04529	5.6
191.99409	3.5
197.05986	4.5
199.28969	1.7
202.05150	2.8
223.03946	4.8
225.05562	2.7
226.08774	4.9
228.06642	3.0
241.05075	4.0
242.08266	28.0
267.02939	2.5
268.03598	3.6
268.06165	9.4
269.04562	100.0
270.07745	43.7
271.08304	2.7
272.05789	4.1
280.06134	4.2
296.05713	62.0
296.09088	5.6
297.06052	5.8
324.05185	16.2
325.05646	2.2
398.10397	3.4
426.09641	3.8
444.10925	28.8
445.06799	2.5
448.65634	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	444.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11294	0.6
57.40316	0.6
59.01371	2.5
62.83213	0.5
65.00324	8.6
67.01880	1.0
68.99831	1.0
69.31952	3.1
71.01392	2.2
75.00854	1.0
79.01904	1.7
85.02962	3.9
85.05486	0.6
87.00882	0.8
92.99816	2.7
95.01397	2.0
96.99322	1.6
98.21986	1.3
99.00880	2.0
101.04007	1.0
111.00896	1.9
113.02451	7.0
116.05072	23.6
120.99296	1.2
123.00898	1.5
123.70813	0.7
124.01698	1.8
130.06558	0.7
131.05029	2.3
135.04652	0.6
136.98807	7.7
139.00374	2.6
141.07053	1.2
143.04945	0.8
144.04567	5.9
149.99669	1.2
151.05534	0.8
152.01181	2.1
153.07007	0.8
154.06630	1.0
155.05096	0.7
157.06622	0.9
161.02478	1.1
164.98312	13.1
166.06670	0.8
166.99858	2.3
167.05058	1.1
168.04544	1.9
169.06593	3.2
170.06108	1.1
171.04581	4.9
172.04018	8.4
173.06018	3.4
175.02501	1.9
177.99080	2.0
178.99866	1.2
181.06590	1.6
183.04347	0.9
194.06093	2.2
194.99307	2.1
195.04454	1.8
197.06123	4.6
198.05635	4.9
199.03996	1.2
201.05556	1.2
204.97659	1.1
206.06195	1.3
213.05576	2.9
222.05605	2.4
222.98863	2.0
223.04042	0.9
223.06203	1.0
225.05611	4.9
227.07187	1.2
236.07014	0.7
237.05467	0.9
239.03491	0.9
240.03964	1.7
240.83595	0.6
241.05067	6.1
243.06593	5.5
250.05138	1.8
251.03423	1.7
251.05719	1.5
253.05008	4.2
255.06593	1.2
255.26559	0.7
264.06641	2.7
266.04541	2.4
267.02826	1.0
268.03488	2.6
269.04559	100.0
271.06097	15.7
272.06564	0.8
278.04550	1.0
281.04572	2.2
282.07623	1.0
283.06241	1.1
294.04074	6.3
296.09244	1.5
297.04004	0.9
299.05573	6.8
308.11017	0.7
309.04034	0.7
322.03595	2.8
327.05142	10.7
328.05374	1.0
354.11221	0.8
364.09875	1.4
370.11212	3.5
370.14990	0.7
373.66663	0.7
380.09116	0.7
382.11008	1.5
388.86337	0.8
398.10336	39.2
399.10489	4.9
407.80865	0.7
408.08847	1.1
426.09842	32.8
427.09955	4.2
444.10590	7.0
445.08075	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	444.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00869	3.9
52.74952	3.9
56.83594	3.9
59.01374	20.9
61.98828	5.5
69.65848	15.6
71.01395	10.4
74.04633	3.4
75.46143	3.7
88.98840	4.1
89.02464	4.6
91.04015	24.7
96.96075	5.7
98.21880	7.3
113.02474	5.7
113.38833	4.4
119.05071	12.9
122.10664	3.8
123.04594	4.1
133.02945	5.0
134.04703	4.5
135.04578	6.5
211.13458	12.6
229.14536	11.5
246.33533	4.1
269.04575	27.8
277.45792	3.7
283.02377	4.2
296.35721	3.9
309.20673	10.4
327.21790	100.0
328.22079	8.7
329.23398	7.9
427.10324	9.9
462.96286	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	444.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00869	3.9
52.74952	3.9
56.83594	3.9
59.01374	20.9
61.98828	5.5
69.65848	15.6
71.01395	10.4
74.04633	3.4
75.46143	3.7
88.98840	4.1
89.02464	4.6
91.04015	24.7
96.96075	5.7
98.21880	7.3
113.02474	5.7
113.38833	4.4
119.05071	12.9
122.10664	3.8
123.04594	4.1
133.02945	5.0
134.04703	4.5
135.04578	6.5
211.13458	12.6
229.14536	11.5
246.33533	4.1
269.04575	27.8
277.45792	3.7
283.02377	4.2
296.35721	3.9
309.20673	10.4
327.21790	100.0
328.22079	8.7
329.23398	7.9
427.10324	9.9
462.96286	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	444.9546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25305	2.6
59.01384	39.4
61.98828	3.0
65.00320	5.8
67.01890	3.6
71.01391	23.7
73.02950	6.2
79.95740	16.4
80.96529	5.2
81.03475	4.2
83.01411	3.1
85.02965	15.0
89.02454	13.0
91.01913	6.9
93.03476	3.9
95.01394	5.2
96.96024	7.2
101.02451	19.8
107.01390	6.1
108.02184	9.7
109.02978	6.4
113.02454	18.7
119.03508	7.6
119.05045	3.5
121.02999	6.9
123.00917	9.8
123.04551	27.1
125.02410	3.3
127.77991	3.1
137.02504	2.8
139.03983	4.6
143.03526	3.4
150.03239	3.8
151.00388	15.5
152.01146	12.6
153.01984	3.9
153.05565	4.5
161.04524	6.4
164.98323	4.5
166.02750	25.3
166.99818	3.9
167.03516	81.8
168.03908	4.0
181.05080	19.6
182.02258	4.7
183.02869	4.2
185.06149	3.0
191.80011	2.9
194.02180	17.1
197.04495	15.1
209.04579	100.0
209.06552	5.4
211.06073	3.5
211.23500	3.4
221.97404	7.5
225.05617	3.0
239.03517	6.2
239.05605	30.7
267.03033	8.7
269.04199	17.9
269.06970	22.9
282.02197	3.1
282.05252	4.7
283.11783	6.3
285.04123	27.0
293.38199	2.9
295.10376	24.5
299.07736	4.9
310.83038	3.1
364.99695	14.4
444.15604	4.7
445.07474	3.9
445.13370	88.1
446.13898	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	444.9545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.8
59.86318	2.6
65.00317	9.2
69.11092	18.8
69.93637	2.5
71.01382	10.8
72.99304	2.5
79.95734	16.4
83.01379	5.2
85.02954	11.5
87.00871	6.2
88.93053	2.9
89.02452	6.4
95.01380	7.2
96.96018	5.1
97.02966	3.0
101.02438	4.4
107.01390	6.1
108.02116	3.3
109.02970	6.3
110.00150	2.7
111.00881	5.0
113.02473	19.9
119.05035	10.5
123.00924	4.7
123.04524	4.0
125.02432	4.0
136.98804	9.0
139.00360	8.9
151.00385	19.4
152.01160	4.7
153.01967	3.2
164.98274	11.1
166.02820	6.2
167.03535	26.6
181.05115	5.7
181.99547	2.9
193.55794	2.8
197.06049	4.4
206.10048	2.9
209.04532	25.4
209.09816	2.9
216.72954	2.9
221.97430	4.2
223.04019	3.7
225.05695	4.4
239.05569	5.1
241.05087	3.2
269.04523	100.0
270.04916	5.7
284.03339	4.3
285.04065	48.7
286.04425	5.5
287.05640	9.4
295.10245	9.4
337.23730	2.6
364.99713	28.5
445.07730	4.9
445.13348	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	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.43634	0.2
57.03445	1.2
59.01385	7.3
60.36485	0.2
63.02411	0.6
63.17166	0.2
65.00327	5.7
65.35336	0.2
67.01898	0.3
68.99815	0.4
69.03450	0.2
71.01386	5.7
72.99319	1.0
73.02953	0.5
75.00879	3.1
81.02373	0.2
81.89272	0.2
83.01395	2.9
83.01859	0.2
84.02177	0.3
85.02956	12.6
86.03308	0.2
87.00887	1.6
89.02445	1.1
95.01397	3.9
99.00892	4.1
101.04002	0.2
103.00381	1.8
105.03471	0.2
107.01397	9.6
108.01730	0.4
111.00887	0.2
111.08374	0.2
113.02459	25.5
114.02820	0.6
114.92608	0.2
115.00392	1.1
117.01961	1.8
117.03470	2.2
121.02966	0.3
125.02435	0.7
129.01936	1.0
133.02946	0.2
135.04568	0.4
142.94446	0.2
149.02457	0.6
151.00383	29.7
152.00728	1.1
153.07147	0.2
155.03490	0.2
155.04980	0.3
157.01401	0.7
157.06631	1.7
159.04523	2.1
161.02446	1.0
169.01389	0.3
169.06627	0.9
175.02498	7.0
176.02779	0.3
181.06610	0.8
182.03854	0.3
183.04507	2.3
184.04837	0.2
185.02420	1.6
196.05374	0.2
197.06099	1.3
201.05611	3.0
202.06035	0.3
207.04529	0.6
220.04335	0.2
225.05608	4.9
226.05968	0.4
227.03517	0.7
251.03571	0.6
269.04565	100.0
270.04910	8.5
296.85629	0.2
311.05490	0.4
341.06622	0.2
354.11734	0.2
445.07861	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	445.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74321	0.5
57.03436	0.7
59.01384	5.7
65.00325	2.4
67.01883	0.7
68.99827	0.6
71.01386	4.5
72.99295	0.5
75.00874	2.3
83.01373	0.5
85.02956	6.8
87.00877	1.6
89.02442	0.7
95.01404	3.7
99.00896	3.4
103.00393	1.3
111.00845	0.8
113.02458	12.2
113.69791	0.4
115.00381	0.8
117.01960	0.8
129.01913	0.6
130.99493	0.5
134.83562	0.5
136.98828	4.0
139.00409	3.3
141.07098	2.0
143.05116	0.5
145.02881	0.5
151.05531	1.4
166.99883	0.9
167.04958	1.3
169.06612	5.2
171.04532	2.0
175.02492	2.1
185.06094	1.2
195.04565	3.0
196.05032	0.6
197.06105	4.3
197.20918	0.5
199.04034	0.6
204.89035	0.5
213.05580	2.1
223.03984	5.5
224.04788	0.9
225.05544	1.2
225.77486	0.5
241.05070	4.9
251.03493	3.7
269.04553	100.0
270.04861	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58394	0.4
57.03443	1.4
59.01385	4.4
65.00323	2.2
67.01898	0.9
69.93872	1.0
71.01400	3.4
72.99297	0.9
75.00874	1.7
75.63082	0.4
85.02967	7.7
87.00882	1.2
89.02467	0.7
95.01394	2.9
98.21881	0.7
99.00905	3.3
102.37449	0.5
103.00388	0.9
106.78158	0.5
111.00886	0.6
113.02467	10.8
115.00389	0.6
123.00898	0.6
129.01967	0.7
135.39938	0.5
136.98822	2.3
139.00421	1.2
141.07074	1.4
143.05026	0.8
151.05565	0.6
157.06673	0.5
164.98323	0.9
166.99901	0.6
169.06633	3.5
171.04538	1.6
175.02437	2.3
179.04959	0.5
195.04530	2.3
197.06091	3.7
202.33899	0.5
213.05592	0.9
223.04030	4.0
224.04742	0.6
225.05560	1.1
241.05128	4.1
251.03601	2.3
268.03738	0.7
269.04578	100.0
270.04941	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	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69633	0.4
55.37433	0.5
56.83854	0.4
57.03445	0.6
59.01379	2.8
60.83069	0.4
67.01890	1.7
68.83042	0.4
68.99828	0.6
69.29493	1.2
69.29899	1.1
71.01389	2.5
75.00870	1.1
85.02952	3.9
87.00860	0.7
89.02464	0.6
89.07932	0.5
95.01392	2.4
98.22626	0.9
99.00884	2.0
103.00404	0.5
110.10510	0.5
113.02463	5.4
115.00387	0.6
123.00944	0.5
129.01932	0.6
139.00330	0.9
141.07108	0.9
155.05063	0.7
157.06610	0.7
169.06596	2.9
171.04500	4.3
173.06090	0.7
175.02516	1.3
181.06601	0.9
183.04524	0.8
195.04515	0.5
197.06067	8.4
199.04007	1.5
213.05614	1.7
223.04016	0.7
224.04807	0.6
225.05550	4.6
240.04321	1.0
241.05070	2.6
267.03098	0.7
269.04559	100.0
270.04874	7.1
445.07925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0777
Annotation	Baicalin
Peak:m/z	Relative Intensity
51.65464	0.3
53.28560	0.3
55.84002	0.3
57.03435	0.6
59.01379	2.5
65.00328	0.7
67.01884	2.1
68.99834	0.4
69.43548	0.6
69.43930	0.7
71.01376	2.1
72.99281	0.6
75.00871	1.4
85.02946	3.1
87.00864	0.6
89.02455	0.5
95.01389	2.1
97.02940	1.1
98.22632	0.7
99.00884	1.4
103.00354	0.5
111.00906	0.5
113.02454	4.6
115.00351	0.8
117.01909	0.5
117.03477	0.4
123.00890	0.5
127.05560	0.4
136.98787	0.4
139.00371	0.8
141.07120	0.6
143.05000	0.4
153.07104	0.8
155.04996	1.0
163.00336	0.3
165.09276	0.3
167.05042	0.7
169.06575	2.8
171.04535	5.0
173.06091	0.9
175.02505	1.8
181.06548	1.2
183.04585	0.8
185.06120	0.6
195.04510	0.4
197.06082	8.4
198.06282	0.3
199.04004	2.0
201.05580	0.6
213.05603	3.0
223.03990	0.8
224.04803	1.0
225.05597	4.4
227.03575	0.5
239.03517	0.9
240.04251	0.9
241.05103	2.9
266.02469	0.4
267.03116	0.7
268.03745	3.0
269.04559	100.0
270.04922	8.0
309.36932	0.3
445.07837	6.2
446.07852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84351	0.5
59.01382	3.6
60.89447	0.5
63.79939	0.5
65.00320	1.7
68.28627	0.5
69.94947	1.5
71.01391	4.3
72.99313	0.6
75.00872	1.0
85.02962	5.0
87.00880	1.3
89.45750	0.5
95.01376	1.7
97.04618	0.5
97.33035	0.5
98.21950	1.0
98.50190	0.5
99.00883	0.6
111.00839	0.6
113.02454	6.6
117.01956	0.7
135.35941	0.5
136.98846	2.8
139.00371	1.5
141.07120	1.0
164.98294	1.3
166.99858	0.6
167.04991	0.8
169.06589	2.8
171.04602	1.3
175.02498	1.9
195.04520	1.8
196.05284	0.6
197.06049	3.2
213.05531	2.0
223.04030	3.4
225.05566	1.2
234.91193	0.6
241.05040	3.1
251.03505	2.2
267.03052	0.8
268.03738	2.7
269.04556	100.0
270.04880	6.2
283.06076	0.9
377.18362	0.6
445.07614	14.4
446.08273	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	445.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24826	0.3
55.01879	0.5
57.03455	1.4
59.01384	10.6
61.88269	0.2
63.02399	2.5
65.00331	1.6
67.01891	0.5
68.99810	0.2
69.29313	1.4
71.01022	0.5
71.01389	7.0
72.99300	1.2
73.02953	1.1
75.00883	3.0
76.14423	0.2
81.03489	0.3
83.01403	0.8
83.05022	0.9
84.02184	0.3
84.87025	0.3
85.02962	13.0
85.03479	0.6
87.00885	2.6
87.17040	0.3
89.02465	2.1
93.03475	0.6
95.01407	3.8
98.66610	0.2
99.00893	4.7
101.02463	0.8
103.00405	1.5
105.03465	0.3
107.01420	2.1
111.00877	0.4
113.02464	23.1
114.02840	0.5
115.00372	1.4
115.36825	0.2
117.01987	1.8
117.03477	6.3
118.03834	0.3
119.03546	0.3
119.05040	0.9
121.02975	0.5
123.04529	0.3
129.01962	1.1
129.85918	0.3
133.02936	0.6
135.04536	0.8
139.00400	0.4
142.13895	0.2
145.02963	0.3
149.02477	1.9
151.00394	2.0
157.01331	0.4
157.06610	0.3
159.04547	2.8
161.02426	1.2
161.04559	0.5
163.11259	0.6
169.06604	0.6
170.06920	0.3
171.04623	0.4
175.02507	4.5
181.06604	0.5
183.04550	0.8
187.04112	0.3
196.05247	0.3
197.06104	1.0
201.01923	0.6
201.05608	1.2
209.11848	23.1
210.12143	0.8
224.04869	0.6
225.05647	1.7
227.03484	0.8
253.09338	2.6
255.03142	0.4
269.04572	100.0
270.04907	7.8
283.02570	0.5
306.80661	0.4
445.07715	1.1
445.16446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56292	0.2
57.03452	1.2
59.01384	5.1
65.00336	1.6
67.01897	0.4
68.99824	0.6
71.01387	4.0
72.99327	0.6
73.02956	0.3
75.00884	1.6
84.02151	0.3
85.02955	8.7
86.03300	0.3
87.00874	0.9
89.02448	0.8
90.56757	0.2
95.01398	2.8
96.99272	0.2
99.00894	2.6
103.00380	1.1
111.00882	0.4
113.02464	12.8
114.02852	0.3
115.00355	0.7
117.01973	1.0
123.00900	0.5
123.50101	0.2
129.01970	0.6
135.33833	0.2
136.98825	2.4
139.00380	1.4
141.07091	1.0
143.05037	0.5
145.03000	0.3
151.05524	0.6
157.06630	0.3
166.99902	0.4
167.05037	1.0
169.06602	3.5
171.04530	1.1
171.08139	0.4
175.02502	2.7
179.05090	0.3
185.06039	0.3
195.04500	2.0
196.05251	0.4
197.06117	3.1
198.06430	0.3
199.04007	0.3
207.04550	0.3
213.05603	1.6
220.47449	0.3
223.04039	3.6
224.04712	0.4
225.05540	1.0
240.04196	0.3
241.05104	3.5
251.03487	3.1
268.03799	0.4
269.04559	100.0
270.04913	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	445.0781
Annotation	Apigenin 4'-glucuronide
Peak:m/z	Relative Intensity
51.45072	1.7
51.68407	1.5
57.03436	2.8
57.88263	2.1
59.01094	2.6
59.01381	45.5
60.74613	1.5
65.00023	2.5
65.00331	30.3
66.27579	1.5
70.77176	1.6
71.01392	20.9
71.04982	1.8
72.99304	2.1
73.02927	1.8
83.01358	2.8
84.57559	2.0
85.02972	10.8
87.00861	3.1
87.04482	1.7
89.02464	13.2
91.01888	1.7
92.99804	4.3
93.03461	1.6
94.03012	9.0
95.01379	5.2
96.96014	4.5
96.99312	6.0
97.02967	2.8
101.02448	11.3
107.01405	2.2
108.02184	3.5
109.02927	6.4
113.02441	13.4
115.04008	9.3
115.55537	1.8
119.03481	6.4
120.99281	2.9
121.51647	1.6
123.00896	2.1
123.04501	11.6
124.01653	2.6
125.02405	1.8
133.05040	3.8
136.98808	19.2
137.02365	3.9
139.00375	1.7
140.82715	1.8
151.00320	5.4
152.01103	4.6
153.01935	9.2
161.02357	2.8
161.04559	3.7
164.98312	47.5
166.02686	6.6
167.02180	1.8
167.03532	31.6
171.04559	2.5
177.98962	2.1
178.99762	2.5
181.05057	6.7
194.02156	5.1
197.06062	2.4
199.03891	4.0
209.02905	2.3
209.04565	24.2
213.05507	3.2
225.05527	3.2
241.05055	5.4
269.04532	100.0
270.04861	6.0
271.06168	2.5
283.06067	4.6
295.10303	31.7
315.14499	2.6
325.41278	1.8
364.99463	2.1
385.11273	4.4
413.10132	2.1
445.08035	4.0
445.13345	67.4
446.13864	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	445.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.03455	1.0
59.01387	4.8
65.00327	2.0
67.01891	0.5
68.99818	0.4
71.01027	0.2
71.01392	3.6
72.99310	0.7
73.02946	0.4
75.00883	2.0
83.01388	0.4
84.02208	0.2
84.77470	0.2
85.02960	7.9
87.00891	1.4
89.02458	0.9
95.01397	3.3
96.99323	0.2
99.00275	0.2
99.00886	2.8
101.03992	0.2
103.00383	1.3
111.00893	0.6
113.02460	12.6
114.02815	0.3
115.00375	0.6
117.01990	1.1
123.00888	0.7
127.05530	0.2
129.01933	0.6
136.98830	2.5
139.00383	2.0
139.05521	0.2
141.07135	1.0
143.05058	0.6
145.02924	0.5
149.99617	0.3
151.05576	0.5
153.07130	0.2
154.09766	0.2
155.05061	0.2
157.01347	0.3
157.06589	0.4
162.52672	0.1
164.98294	0.4
166.99852	0.8
167.05048	1.1
169.06606	3.0
170.06915	0.2
171.04539	1.6
171.08191	0.4
173.06126	0.2
175.02507	2.7
179.05043	0.4
181.06618	0.2
183.04535	0.2
185.06052	0.5
195.04544	2.2
196.05156	0.3
197.06087	2.6
199.04039	0.4
207.04570	0.3
213.05579	1.5
222.03110	0.2
223.04022	4.1
224.04588	0.7
225.05618	1.1
237.05675	0.2
240.04239	0.3
241.05106	3.8
242.05240	0.2
251.03526	2.4
252.03937	0.2
268.03751	0.5
269.04568	100.0
270.04907	7.3
311.05695	0.2
385.79407	0.2
445.07883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.03455	1.0
59.01387	4.8
65.00327	2.0
67.01891	0.5
68.99818	0.4
71.01027	0.2
71.01392	3.6
72.99310	0.7
73.02946	0.4
75.00883	2.0
83.01388	0.4
84.02208	0.2
84.77470	0.2
85.02960	7.9
87.00891	1.4
89.02458	0.9
95.01397	3.3
96.99323	0.2
99.00275	0.2
99.00886	2.8
101.03992	0.2
103.00383	1.3
111.00893	0.6
113.02460	12.6
114.02815	0.3
115.00375	0.6
117.01990	1.1
123.00888	0.7
127.05530	0.2
129.01933	0.6
136.98830	2.5
139.00383	2.0
139.05521	0.2
141.07135	1.0
143.05058	0.6
145.02924	0.5
149.99617	0.3
151.05576	0.5
153.07130	0.2
154.09766	0.2
155.05061	0.2
157.01347	0.3
157.06589	0.4
162.52672	0.1
164.98294	0.4
166.99852	0.8
167.05048	1.1
169.06606	3.0
170.06915	0.2
171.04539	1.6
171.08191	0.4
173.06126	0.2
175.02507	2.7
179.05043	0.4
181.06618	0.2
183.04535	0.2
185.06052	0.5
195.04544	2.2
196.05156	0.3
197.06087	2.6
199.04039	0.4
207.04570	0.3
213.05579	1.5
222.03110	0.2
223.04022	4.1
224.04588	0.7
225.05618	1.1
237.05675	0.2
240.04239	0.3
241.05106	3.8
242.05240	0.2
251.03526	2.4
252.03937	0.2
268.03751	0.5
269.04568	100.0
270.04907	7.3
311.05695	0.2
385.79407	0.2
445.07883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31216	0.4
53.72139	0.4
59.01391	2.7
65.00330	10.3
68.99834	0.8
69.55525	1.8
71.01392	2.2
72.99320	0.6
75.00869	1.1
81.43278	0.3
84.41884	0.3
85.02955	4.3
87.00839	0.5
92.99854	2.0
93.15798	0.4
95.01392	1.7
96.99330	2.4
99.00887	1.6
103.00384	0.9
108.99315	0.8
110.41457	0.4
111.00876	0.7
113.02459	6.4
115.00381	0.4
117.01970	0.5
117.03390	0.5
118.05914	0.4
120.99313	1.3
127.05417	0.4
131.05055	3.0
136.98833	8.6
139.00417	0.8
139.77994	0.4
141.07126	1.0
143.06393	0.4
145.06671	0.4
155.05042	0.5
157.06635	0.4
161.02469	0.6
164.96892	0.9
164.98315	19.2
165.98709	0.6
167.04988	1.0
169.06665	2.1
171.04507	2.1
173.06073	0.5
175.02501	1.1
175.03999	0.8
177.99104	0.9
179.05084	0.4
181.06520	0.5
183.04430	0.6
195.04547	1.2
197.06116	3.1
199.04070	1.9
201.05647	0.5
208.08670	0.4
213.05576	1.8
216.50340	0.4
219.07797	0.5
223.04004	1.9
224.04759	0.4
225.05521	2.1
227.03494	0.4
241.05132	4.9
242.05475	0.7
251.03535	1.2
253.05374	0.5
267.03073	0.5
268.03772	1.0
269.04568	100.0
270.04898	8.4
283.45523	0.5
292.11954	0.4
367.01428	0.7
379.87625	0.4
383.09033	0.9
445.07733	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	445.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01398	3.6
65.00323	2.8
65.99841	0.9
67.01911	0.8
69.94151	1.8
71.01373	2.5
74.02477	23.7
75.00877	2.4
85.02954	7.2
87.00870	1.5
95.01384	3.8
96.00916	1.2
99.00864	3.0
103.00403	1.3
113.02452	10.8
115.00388	0.8
120.00898	1.1
124.04077	0.8
127.05539	0.8
136.00360	2.3
136.98798	2.7
141.07076	1.0
146.02481	2.9
149.01155	1.5
155.04951	0.8
163.00412	0.9
163.99910	1.9
164.03549	2.0
164.98242	2.1
165.00664	1.6
166.99901	1.0
167.05048	0.9
169.06622	2.9
171.04584	4.3
175.02475	2.2
175.99901	0.9
177.00697	2.3
181.06476	1.4
190.01469	3.7
195.04494	1.7
197.06097	3.7
199.03975	1.1
213.05569	1.6
215.04129	0.8
218.00943	10.5
223.04033	3.4
225.05544	2.8
230.28714	0.7
240.06653	1.1
241.05168	4.0
251.03444	1.7
252.06676	1.1
267.06711	0.8
268.03680	1.0
268.06219	6.9
269.04553	100.0
270.04901	7.7
280.06317	1.3
285.07846	0.7
294.07690	2.9
296.09274	4.8
299.01971	0.9
310.10880	3.5
322.07220	43.0
323.07483	4.3
323.10776	1.2
335.10306	1.5
342.08264	1.4
353.11639	5.4
370.07529	14.3
371.07898	1.4
397.10742	1.6
445.07336	1.1
445.10782	3.7
448.12903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
59.79951	0.9
65.00298	1.7
65.34049	0.9
67.29339	0.9
67.87600	0.9
69.27741	5.4
71.01419	1.0
73.79989	0.9
73.98913	0.9
74.59982	0.9
75.00860	0.9
78.23674	0.9
79.93122	1.0
87.00887	2.1
89.02422	1.0
93.03486	1.7
95.01408	2.6
96.96011	1.6
109.02958	10.3
113.65426	1.0
115.03984	1.4
117.03460	2.8
119.05036	8.7
123.04513	1.8
127.04030	2.5
132.02159	1.4
133.02968	66.5
134.03372	2.9
135.04492	2.6
137.06052	1.2
145.02994	1.6
151.04042	2.6
153.05557	2.8
161.02463	1.9
163.04031	4.0
163.07608	1.1
173.02417	0.9
175.04031	9.8
177.02046	1.1
179.03503	1.0
181.05051	4.2
187.04019	1.2
189.01935	1.8
189.05548	2.1
198.03271	1.3
201.01949	12.4
205.04881	1.3
211.04059	2.2
212.04546	1.7
213.05521	1.3
215.07129	1.3
217.01407	1.6
219.03020	4.5
224.04755	1.6
226.02968	1.3
227.03510	1.4
227.07117	6.6
231.06639	1.9
237.05644	2.0
238.06166	1.1
249.05641	1.7
251.03453	1.7
253.05110	2.0
253.08662	1.6
255.02995	2.7
257.04446	2.2
263.07047	1.1
264.04321	1.2
265.05103	2.2
266.05841	0.9
269.04520	1.1
273.07608	1.8
279.03000	7.9
279.06653	2.9
279.09970	1.2
281.08054	1.3
283.02493	3.5
292.03781	1.4
293.04538	1.8
295.02609	1.2
295.09674	1.8
297.00201	1.1
299.05655	8.3
305.08096	1.0
307.06165	6.9
308.06760	2.0
309.04031	2.1
311.05585	2.6
323.09241	3.1
325.07080	1.5
337.03708	4.4
339.08719	3.0
351.08731	8.5
366.07196	2.3
367.08295	1.4
383.11520	2.0
395.07620	8.0
409.09232	1.7
416.18332	1.0
427.10352	100.0
428.10641	8.8
445.05460	2.1
445.11288	25.4
446.11920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
65.00330	2.0
69.55032	3.1
76.63635	0.7
83.01374	1.2
95.01386	1.5
101.02469	0.9
109.02956	10.1
115.03997	1.3
117.03484	1.8
118.03864	0.8
119.05029	2.0
127.04006	2.1
132.02237	2.4
133.02971	69.4
134.03316	2.8
135.04521	2.2
137.70720	0.8
142.78447	0.8
145.02939	1.7
145.06516	1.2
151.04008	2.7
161.02486	1.7
161.06078	1.3
163.04012	5.5
171.04550	0.9
173.02441	2.1
174.03194	2.4
175.04062	5.6
177.01953	2.2
181.05066	2.5
187.04045	2.0
187.07597	1.3
189.01930	1.6
189.05611	4.0
191.07158	0.9
198.03145	1.1
199.04070	1.5
201.01952	15.5
201.05728	1.0
203.07108	1.7
205.05054	1.0
211.04010	3.1
213.05588	3.0
215.07089	1.2
219.02995	4.7
221.08208	3.5
224.04803	1.0
225.05441	1.5
225.18156	0.9
227.03586	1.3
227.07173	8.6
231.06694	4.3
232.75005	0.9
237.05676	1.5
238.06131	1.0
245.08420	1.5
247.06183	0.8
249.05392	1.6
250.06380	1.6
251.03519	2.2
251.07224	1.4
251.10873	1.0
253.04904	1.0
255.02975	1.0
257.04596	3.1
261.07529	0.8
263.09235	3.0
267.06421	1.0
273.07532	0.9
279.02945	4.8
279.06229	1.6
280.04095	1.2
281.08139	1.3
289.07202	1.9
292.03732	1.0
293.04581	1.9
294.05313	1.3
295.09927	1.9
297.00403	1.6
299.05643	11.1
307.06021	4.0
308.06744	1.3
309.04071	0.9
309.10190	0.9
311.05649	2.7
317.06891	1.1
322.04614	1.4
323.09210	3.4
325.03729	1.2
339.08728	2.3
351.08710	5.3
352.09174	1.2
367.08337	2.5
377.06818	0.9
383.11304	2.8
395.07764	9.7
396.08127	0.9
399.10843	1.8
401.12234	3.9
409.09137	1.6
427.10376	100.0
428.10776	11.8
445.11328	25.4
446.11923	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	445.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32368	2.1
54.20120	2.2
55.01875	2.9
58.99608	19.0
59.01383	34.2
64.71988	2.3
64.72332	2.4
65.00318	6.0
66.46320	2.1
69.18568	9.8
69.18981	5.2
71.01384	25.1
72.99300	2.1
73.02949	9.3
74.16297	1.9
81.03431	2.4
83.01410	5.0
85.02947	15.6
87.00886	15.6
89.02444	8.6
93.03473	2.1
95.01380	9.6
99.00900	4.3
101.02470	16.2
102.98604	92.9
106.00576	3.1
108.02191	4.2
108.79485	2.1
109.02937	4.5
111.00883	4.4
113.02476	16.6
117.20276	2.1
119.03492	4.3
121.02988	13.3
121.06638	2.5
122.00120	3.7
123.00879	13.8
125.02518	3.1
127.00456	2.5
136.98807	4.7
137.02460	24.7
138.03221	9.1
139.00378	5.5
145.02974	2.5
147.04520	6.5
149.09723	2.2
153.05586	14.9
155.03490	4.5
161.04558	9.1
164.98303	8.9
166.99858	10.0
179.01698	11.9
179.05730	3.1
180.02570	3.4
181.01462	16.2
182.02187	14.4
183.02939	5.4
190.76112	1.9
195.04814	13.3
196.03741	7.6
197.04578	44.7
211.06105	4.1
224.03294	3.9
225.04076	3.4
226.68553	2.6
232.35887	1.9
239.03575	2.9
239.05710	18.8
239.60020	2.3
241.05037	2.5
249.06137	10.2
269.04480	32.7
270.04941	3.7
283.04938	78.4
284.05231	3.7
299.07767	7.0
339.01920	3.4
367.01297	4.5
385.18713	3.3
411.07150	2.3
415.12378	6.9
430.14893	13.2
445.17157	100.0
446.17453	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	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52180	1.5
59.01383	12.3
61.98836	93.9
69.16811	2.6
69.17230	7.8
71.01387	8.5
72.99318	4.0
74.02501	1.7
74.89504	1.6
75.00879	84.0
78.95914	2.1
79.95761	5.5
85.02927	2.6
89.02432	7.5
93.03503	1.8
98.22619	2.9
101.02438	2.5
103.00379	100.0
104.00682	2.6
104.03545	6.5
112.18388	2.0
113.02476	2.9
119.03528	2.8
123.69680	1.7
127.33315	1.4
130.19275	1.5
179.05620	3.2
207.05174	3.4
338.86481	1.8
341.10782	14.2
371.43954	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	445.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.0
71.28873	1.3
72.00903	7.2
72.35978	0.9
74.02485	14.4
78.95907	5.7
87.20451	0.8
88.04041	1.8
89.32112	0.7
93.74151	0.8
110.98537	4.1
113.02641	0.9
116.05079	39.2
117.05374	1.9
129.05849	1.4
130.06638	14.1
131.07033	1.0
142.06636	10.2
144.04575	1.4
157.07669	1.5
159.09291	9.0
161.04840	1.0
167.04796	12.6
186.05605	1.7
203.08279	100.0
204.08585	4.4
205.83421	0.9
213.03445	1.2
219.07742	3.1
241.03865	42.0
241.05959	3.4
242.04160	2.9
259.03918	2.6
268.04065	1.2
303.05710	1.0
314.04669	0.9
381.04861	0.9
390.41733	0.8
445.12299	11.5
446.12518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38291	1.4
57.03455	2.4
59.01387	40.3
59.65662	1.7
60.09547	1.2
60.45205	1.3
65.00327	13.2
69.03455	2.0
69.20393	1.6
69.29987	5.5
70.93518	1.4
71.01028	1.6
71.01386	19.3
71.05005	1.5
73.02946	4.3
78.39359	1.6
79.95763	1.7
80.96478	1.4
81.03487	1.4
83.01394	3.3
85.02965	3.8
87.00896	3.1
87.04468	1.9
89.02444	16.1
90.22599	1.3
91.01929	2.9
92.31981	1.3
92.99828	2.8
93.03444	1.7
94.02979	4.5
95.01380	3.5
96.96008	1.5
96.99320	2.1
97.02938	4.5
98.22630	2.8
99.04499	1.6
101.02448	12.4
107.01382	3.5
108.02195	7.2
109.02968	10.0
113.02477	9.5
115.04034	15.4
118.57926	1.5
119.03484	5.5
123.04532	19.7
133.05070	3.7
135.04494	2.2
136.98824	8.3
150.03227	1.5
151.00352	6.0
152.01190	8.4
153.01976	12.9
161.02461	1.4
164.98314	23.6
166.02748	9.8
167.02130	2.5
167.03519	39.6
181.05093	6.9
194.02217	5.3
195.03061	2.1
199.03967	2.1
209.04579	38.6
209.08180	3.2
210.04904	2.0
213.05412	1.6
221.11945	1.6
225.05476	1.5
239.05637	4.2
241.05032	2.4
269.04468	47.5
269.06662	4.6
283.11929	1.7
294.86432	1.4
295.10379	42.0
296.10843	2.0
372.90088	1.4
385.11203	3.9
413.10974	2.2
445.13452	100.0
446.13876	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	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52666	1.4
59.01385	38.7
65.00320	2.4
67.01884	2.5
69.29256	9.0
71.01383	22.9
73.02937	3.6
79.95750	20.9
83.01373	3.8
85.02975	7.9
89.02457	10.4
91.01883	3.3
93.03356	1.6
95.01378	3.7
99.00851	3.5
101.02450	15.2
107.01384	5.3
108.02178	6.5
109.02930	6.1
111.00850	2.9
113.02476	12.6
117.03452	1.5
119.03512	2.5
120.75430	1.4
121.02966	7.5
122.03764	3.9
123.00832	4.6
123.04547	21.1
124.01652	2.3
125.02436	2.5
128.78281	1.6
138.03172	2.5
139.00372	3.2
139.03996	1.8
143.03474	2.5
146.73291	1.8
151.00388	16.2
152.01157	12.7
153.01874	3.3
153.05589	4.0
161.04527	5.3
164.98334	2.7
166.02736	22.4
166.99762	3.9
167.03514	74.7
168.03822	5.4
181.01343	4.9
181.05075	17.8
181.99571	3.7
182.02173	2.7
194.02249	14.2
196.03711	2.9
197.04553	17.1
209.04570	100.0
210.04999	4.0
211.06061	4.8
221.97385	11.0
222.47496	2.6
224.03293	2.8
225.05547	1.7
229.14742	1.7
237.03221	1.7
239.03569	3.1
239.05637	32.5
240.05914	2.3
244.44815	1.5
267.02979	4.9
269.04016	15.3
269.06970	26.4
281.00610	1.7
282.05261	2.3
283.11758	5.5
284.03333	10.8
285.04086	26.3
286.04285	2.2
295.07602	2.1
295.10367	20.1
299.07761	3.5
325.03601	2.0
363.99274	2.4
364.99716	13.6
385.18570	3.6
445.08026	4.2
445.13321	77.2
446.13190	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	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88890	0.6
55.01863	1.0
57.03434	1.4
59.01382	29.7
61.98840	0.9
65.00299	1.4
70.71856	1.3
71.01388	15.8
71.05029	0.7
72.99303	1.9
73.02966	3.2
79.95751	0.7
81.03460	1.7
83.01390	2.3
85.02950	4.2
87.00887	1.4
87.04504	1.5
89.02447	13.7
91.01902	4.7
94.02966	2.3
95.01377	2.0
97.02960	4.6
101.02441	13.1
107.01399	2.2
108.02182	7.0
109.02966	11.3
111.00882	1.5
113.02451	8.0
115.04019	12.8
119.03511	5.7
119.05004	0.7
122.03763	1.4
123.00912	0.7
123.04536	19.5
124.01681	1.3
125.02472	1.7
126.96747	0.7
133.05101	4.1
136.98843	0.8
139.00322	0.8
150.03223	1.3
151.00386	6.4
152.01166	7.2
153.01952	12.9
160.42442	0.7
161.02406	0.7
164.98329	1.3
166.02725	9.9
167.03508	43.1
168.03841	1.9
179.03508	1.4
181.05096	7.6
193.21278	0.6
194.02194	7.5
194.05917	1.2
195.02998	1.3
200.19739	0.8
204.34860	0.6
209.04552	39.7
209.07884	1.3
210.04877	1.5
221.11749	0.8
237.04393	0.7
239.05630	2.4
244.30690	0.7
255.05106	2.4
269.04248	7.6
269.07150	4.9
270.05002	1.0
277.09302	1.9
283.02487	0.8
295.10345	40.5
296.10666	2.4
357.09787	0.9
385.11496	4.3
413.10977	2.6
445.13507	100.0
446.13873	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	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	1.1
59.01105	0.9
59.01387	23.6
69.24821	2.4
71.01391	16.8
72.01725	0.4
72.99350	0.7
73.02957	2.0
73.04119	0.7
74.02505	0.6
83.01418	1.0
85.02962	11.2
87.00926	0.5
89.02451	13.1
95.01400	3.6
98.22659	0.8
101.02447	7.5
102.05660	0.6
103.04047	1.0
110.94167	1.3
111.00951	0.5
113.02464	26.8
114.02827	0.5
115.08810	0.5
117.03510	1.4
119.03529	4.2
119.05019	6.1
121.02988	2.7
121.05140	1.2
123.04604	0.6
125.02428	0.4
128.03575	2.3
131.03548	1.0
132.02220	1.3
133.02977	30.0
135.04541	9.2
143.03535	1.6
149.04558	0.6
161.02463	100.0
161.04376	4.9
162.02805	4.3
163.06119	0.7
173.60776	0.4
177.05611	0.7
179.03514	5.7
179.05539	0.7
204.92267	2.6
254.02220	0.5
283.02509	0.7
299.11404	4.4
362.90924	0.8
374.25330	0.5
445.12933	56.2
445.22964	2.5
446.13318	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79559	1.2
59.01389	14.3
65.00337	4.6
68.99828	6.8
69.32341	6.5
71.01374	2.8
72.12454	1.1
73.02953	2.0
82.95427	2.2
83.01396	35.0
85.85275	1.2
88.98792	2.4
89.02467	2.2
91.12278	1.2
93.03487	1.6
97.02945	2.0
97.06585	4.5
99.00886	2.6
101.02435	1.9
107.01395	3.3
109.02982	1.9
111.00893	3.0
112.80092	1.2
114.05654	3.5
117.03498	6.3
119.05046	28.8
120.76569	1.1
123.00855	1.3
123.04536	3.8
125.02402	1.5
129.03545	1.5
133.02986	5.3
135.04526	4.2
136.98836	5.0
137.06114	1.9
139.03998	6.8
143.05037	9.3
145.02940	8.5
145.06628	1.4
149.06087	2.3
151.00470	1.5
151.04044	13.0
157.57164	1.3
159.04532	2.5
169.01445	3.6
173.02437	4.9
174.03204	2.3
175.03996	3.2
178.99846	3.0
179.07103	1.5
181.05049	2.2
183.02913	3.2
187.04022	99.7
188.04382	5.5
189.05598	2.3
194.99352	6.8
201.01971	3.6
204.03871	1.3
209.11847	24.2
210.12198	1.9
211.02463	45.2
211.04068	4.0
212.02821	1.6
217.05009	1.9
219.06647	5.4
243.06538	2.2
253.09261	4.5
255.02922	9.9
257.04453	1.8
280.08002	1.3
283.02499	24.5
284.02951	2.1
285.03922	1.7
287.05743	1.2
300.02618	1.8
301.03500	2.9
309.09958	2.0
315.05139	100.0
316.05515	6.8
334.72467	1.5
347.07745	68.1
348.08450	6.3
413.12408	5.0
427.10596	1.8
445.07697	5.3
445.15530	23.3
446.15378	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	445.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01085	3.5
59.01384	68.6
65.00318	3.6
68.93657	1.9
68.99822	4.9
69.38665	1.7
70.70294	1.8
71.01390	19.6
73.02940	2.8
75.61260	1.7
79.01880	3.3
85.02981	2.9
87.00879	1.9
89.02462	16.0
93.03460	7.8
95.01390	2.8
101.02431	9.3
107.01392	5.9
108.02213	2.1
111.00884	4.4
113.02428	5.5
115.04042	4.1
117.03447	8.8
119.03514	6.2
119.05040	100.0
120.05419	2.9
120.89543	1.8
121.02949	3.7
123.04544	8.8
125.02407	4.2
127.05089	2.9
128.03549	2.3
134.03711	4.9
136.98778	5.9
143.05034	20.6
145.02969	12.9
145.06187	12.6
146.03696	3.9
147.04529	5.3
147.08087	3.2
149.02498	2.8
149.06117	2.6
151.00305	2.8
151.03972	4.3
151.07741	2.0
152.08368	2.1
153.01956	6.1
153.09218	6.3
159.04539	4.3
161.02496	2.5
161.04576	6.9
161.06093	8.1
163.00365	3.5
167.03505	5.3
175.03986	2.8
178.99866	15.4
179.05591	6.0
181.05084	48.4
183.04605	2.9
187.04019	52.2
188.04587	5.6
189.05560	12.0
191.07086	3.6
205.05045	5.7
205.12358	4.2
209.11839	14.5
211.04027	6.6
217.05095	3.1
219.06590	20.1
221.08202	10.1
223.13333	2.6
225.07698	19.7
233.08221	5.8
249.09247	4.4
253.09311	3.3
255.02861	3.4
257.04623	4.0
265.08643	3.7
283.02521	26.9
284.02823	4.0
289.07150	3.9
293.08264	19.8
293.11490	2.7
299.05634	27.1
300.05865	3.1
309.09808	2.2
311.09183	3.9
315.05066	14.7
325.10855	19.8
337.10757	10.5
341.16177	3.0
357.13535	10.3
369.13406	9.6
385.18600	5.6
413.12527	19.7
445.08658	3.6
445.15027	34.1
446.15564	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	445.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.7
59.01389	28.8
61.98837	4.9
65.00325	4.4
67.01899	2.4
68.18839	1.5
68.48573	1.5
68.99829	5.8
70.75150	1.6
71.01395	13.5
73.02957	3.2
73.18924	1.6
78.95898	2.2
81.03495	2.8
83.01398	2.0
85.02966	2.0
89.02444	11.4
93.03472	6.8
95.01392	3.8
97.06615	1.8
99.00902	3.0
99.04535	5.0
101.02444	8.4
107.01400	9.5
110.02547	1.4
111.00874	3.7
113.02428	5.0
115.04038	3.0
117.03474	13.3
119.03568	5.3
119.05035	100.0
120.05405	2.1
121.02985	2.4
123.04539	11.8
124.01746	1.8
134.03769	2.9
135.04559	2.1
136.98811	6.3
143.05038	24.2
145.02986	12.9
146.03723	3.4
147.04541	4.7
147.08186	1.9
149.02516	2.7
149.06131	3.7
151.00389	3.4
152.01164	2.4
153.01970	5.0
159.04521	5.5
159.11949	2.1
160.33633	1.7
161.02408	2.5
161.04639	2.0
161.06096	6.0
163.00444	2.5
163.25642	1.8
166.02724	4.4
167.03502	14.7
167.07106	3.1
170.99782	3.3
173.02428	3.2
174.03204	1.7
175.03995	5.1
176.35362	1.7
177.05557	3.6
178.99843	8.2
179.05643	2.7
181.05090	68.2
182.05377	2.3
183.04626	3.0
187.04028	57.7
188.04491	3.7
189.05586	14.1
191.07137	4.9
203.10846	6.1
205.05081	5.7
209.04593	9.6
209.11942	8.2
211.04036	8.4
217.05067	3.4
219.06587	24.9
221.08112	13.1
221.11839	4.2
225.07672	26.4
227.03558	2.6
233.08224	4.3
237.09427	2.5
247.09879	3.9
249.09251	6.3
253.09178	2.3
255.03006	9.6
255.91817	2.0
257.04727	4.5
265.08563	2.1
267.06711	4.1
269.06821	3.9
273.59424	1.9
283.02509	29.7
289.07208	2.6
293.08221	24.6
294.08615	2.5
309.09839	2.6
311.09308	3.5
315.05045	16.6
325.10797	19.0
337.10901	10.3
348.50684	2.2
357.13431	9.2
369.13528	8.2
413.12430	20.9
414.12891	2.7
445.07837	6.5
445.14944	42.6
445.22415	3.7
446.08862	2.5
446.15161	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.151
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
51.61795	0.9
59.01379	10.6
61.98825	1.2
62.85069	1.1
65.00336	2.7
67.01891	12.8
68.99838	1.3
69.03475	1.9
69.19080	6.6
71.01386	3.0
75.00917	1.2
85.02982	2.1
87.04519	1.8
89.02464	2.6
93.03469	19.0
95.01402	3.2
95.05042	1.2
96.96010	4.2
97.02953	1.6
97.06602	2.6
99.00928	1.4
99.04528	14.5
101.02451	2.7
107.01439	1.2
107.05025	1.5
113.02479	2.4
115.04024	3.8
117.03481	100.0
118.03834	3.5
119.05060	8.7
121.02985	1.5
121.06622	1.2
121.82219	1.2
123.04536	7.0
123.08165	1.6
125.02484	1.5
127.04058	1.8
133.02956	3.5
135.04549	8.2
137.02463	1.3
137.06111	1.1
138.03326	1.2
145.02951	1.9
145.06625	2.1
147.04553	4.5
147.08127	1.5
148.05255	1.8
149.02420	1.8
149.06107	3.9
151.04016	13.4
151.07713	2.5
152.49251	1.2
153.01965	1.8
153.05612	2.6
159.04567	4.7
161.02513	5.5
161.04669	1.2
161.06067	1.6
163.00418	2.2
163.03992	1.6
163.07663	2.9
167.07147	3.0
171.04474	1.1
173.06091	6.3
175.04051	2.5
175.07629	1.7
177.05609	1.9
178.99860	1.7
179.07166	3.2
181.05115	1.9
181.08771	1.2
183.06705	1.5
185.02557	2.0
187.04060	2.3
187.07704	2.1
189.05646	1.8
189.09267	1.8
191.03528	1.2
191.07150	5.5
201.01962	1.4
201.05615	1.8
203.03484	1.2
203.07130	1.4
203.10817	1.1
205.08771	5.4
207.06641	53.6
208.07060	2.9
209.11809	11.8
211.03990	2.2
215.07170	3.0
217.05083	2.8
217.08708	3.0
219.06613	1.8
220.05501	1.3
221.06267	1.2
221.08185	2.6
223.09743	7.0
226.02843	1.2
227.03555	2.0
231.06711	3.8
233.08287	4.8
236.04782	1.3
237.05623	2.0
240.04436	1.2
241.05179	1.2
247.09946	1.3
249.07571	11.3
251.06955	1.7
251.09306	13.3
253.05168	1.9
253.09378	1.9
255.03084	4.5
259.06085	1.3
261.07739	4.4
264.04236	1.5
265.05127	2.7
265.08530	2.5
265.10965	3.0
269.04599	3.1
275.05695	2.3
279.10583	1.2
281.08289	8.9
281.11566	1.9
282.08502	1.4
283.02505	7.9
283.11920	21.6
283.14978	0.8
284.03384	1.7
291.10336	1.2
293.05154	1.1
293.08252	3.7
293.10934	2.0
295.06152	2.7
297.07755	3.3
307.09705	1.5
309.11340	2.3
319.08490	1.9
323.05801	1.5
323.09396	3.2
325.07388	1.6
325.13461	9.6
337.07336	1.3
337.10925	5.1
351.11008	5.8
357.13681	1.3
365.19788	4.3
367.11801	11.0
369.09897	9.1
369.13577	2.7
381.09915	8.5
385.12851	2.4
395.11401	3.4
413.12512	24.5
414.12793	3.0
427.14166	11.0
428.14825	1.8
445.15173	88.6
446.08685	4.0
446.15500	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	445.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53926	0.3
50.54254	0.3
55.01858	0.5
57.03450	7.1
59.01385	13.7
65.00298	0.3
69.03461	5.5
69.08125	2.0
71.01391	4.9
71.05030	1.3
72.99332	0.5
73.02953	1.4
79.95746	0.7
80.02665	0.3
83.01385	0.9
83.05045	1.1
85.02946	1.8
87.00887	0.9
89.02462	3.6
93.03455	1.6
95.01373	0.9
95.05000	0.5
96.96021	52.7
97.02991	0.6
97.06618	0.7
99.00885	0.8
101.02460	5.5
109.02949	0.7
109.06580	0.7
111.08161	1.3
113.02464	3.6
117.03473	1.1
119.03525	1.0
119.05044	0.9
119.08649	0.9
121.10254	0.5
124.01646	0.5
127.07652	0.8
130.08720	0.4
133.02968	1.6
135.04578	0.8
135.08191	1.1
139.07715	0.4
145.03018	0.5
147.11803	0.7
153.09224	1.5
155.04807	0.4
161.02460	0.4
161.04546	1.5
163.11327	0.8
165.09227	1.0
165.12881	5.6
173.09729	0.3
175.11232	0.4
179.05663	0.6
181.12357	7.0
187.14958	1.0
189.16429	0.4
191.10808	10.8
192.11116	0.5
197.06099	0.7
201.02043	0.6
201.11433	0.4
203.14447	1.5
204.67331	0.3
207.06732	0.4
209.11848	100.0
209.53583	0.5
210.03873	0.4
210.12186	5.8
217.19536	0.4
222.07355	0.4
235.08180	0.7
241.19800	0.8
243.17506	0.4
253.09306	18.2
254.09679	0.6
255.03009	0.7
257.04550	0.6
258.04938	0.5
259.20709	2.3
259.78464	0.3
268.04071	0.3
269.04565	8.4
270.04861	0.7
283.02585	0.7
285.18567	0.4
303.19720	5.1
304.19983	0.7
319.61398	0.4
327.05234	0.5
347.18661	19.9
348.18976	2.0
365.19678	0.4
367.67221	0.3
402.07162	0.5
415.19885	0.7
420.08102	0.8
427.10275	1.1
445.06363	0.7
445.15356	9.2
445.20859	3.6
446.15567	1.0
446.21231	0.5
449.98282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29806	1.4
55.01872	2.7
58.99607	14.6
59.01384	18.8
65.00306	4.6
66.32502	1.3
66.99718	1.6
71.01391	19.7
73.02946	5.6
75.00912	1.5
77.38294	1.5
81.03468	2.5
83.01398	5.4
85.02945	11.3
87.00878	11.4
89.02437	4.4
93.03493	2.9
95.01408	10.6
97.02979	1.4
98.21783	2.3
99.00888	4.0
101.02443	11.8
102.98604	74.2
109.02978	4.8
111.00889	3.4
113.02432	8.4
119.03513	1.9
120.99429	1.4
121.02967	13.4
121.06599	1.8
122.00096	3.0
123.00898	15.0
127.00392	2.0
129.34328	1.4
136.98825	5.5
137.02448	31.9
138.03271	8.2
139.00368	5.8
139.04063	4.8
147.04536	1.9
153.00121	1.6
153.01991	2.1
153.05579	14.5
155.03508	5.6
161.04596	6.2
164.98286	6.2
166.99901	8.8
167.03485	1.9
168.00690	1.8
179.01736	4.7
179.03329	1.5
180.02567	4.5
181.01434	20.3
182.02196	13.9
183.03038	8.1
190.48140	1.5
195.04819	7.7
196.03754	7.3
197.04561	56.1
197.06349	2.8
198.04857	2.0
211.06146	4.9
224.03279	6.1
225.04048	6.0
239.05612	24.7
241.04994	1.7
242.74736	1.6
243.06717	1.5
243.16769	1.5
249.06114	6.2
269.04459	28.2
269.06787	3.7
283.04956	47.0
284.05298	3.5
299.07739	7.5
311.99454	2.0
339.01791	3.7
367.01404	4.0
415.12457	8.7
430.14792	12.1
431.15515	1.8
445.17191	100.0
446.17517	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	445.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12377	0.9
55.01878	1.3
57.03446	4.4
58.11160	1.1
59.01385	67.9
64.15679	1.0
69.22295	5.5
71.01390	44.2
72.99334	1.2
73.02951	5.6
79.95748	4.0
80.96510	1.2
83.01395	2.9
85.02959	33.1
87.00871	3.7
89.02454	37.1
95.01405	12.6
96.45168	1.0
96.96039	1.3
97.02968	1.1
98.22583	2.5
99.00891	1.1
101.02448	19.5
103.04015	3.0
111.00910	1.0
113.02459	74.1
114.02742	1.2
115.66140	0.9
117.03503	1.3
119.03548	12.4
119.05034	22.5
121.05073	1.2
123.90124	0.8
123.94714	1.0
131.03488	1.7
133.02975	32.0
133.34654	0.9
134.03320	1.1
135.04533	11.0
137.06100	2.9
137.13440	0.9
143.03499	3.9
161.02464	100.0
161.04437	15.2
162.02815	3.0
163.06165	1.9
174.78496	1.1
179.03539	6.0
179.05617	3.4
205.07242	1.7
221.97256	1.0
223.13359	5.0
232.06996	1.2
239.06241	1.2
269.04398	2.9
284.03320	1.5
299.11383	14.1
314.94510	0.9
321.29193	1.0
365.22711	1.1
445.13324	53.0
445.17700	33.8
446.13052	2.9
446.17715	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98830	1.0
57.03438	1.9
58.00574	1.1
59.01385	100.0
60.01730	1.1
60.99646	1.1
61.98824	1.1
64.26891	1.0
65.00325	4.1
69.40004	5.5
69.94264	1.1
71.01022	1.7
71.01390	20.9
72.99298	1.3
73.02959	1.5
79.95741	13.5
80.96526	1.7
83.01379	1.5
85.02959	4.7
86.02465	1.4
87.00888	1.3
89.02451	32.0
96.96019	3.4
96.99297	1.6
101.02454	15.4
108.02160	1.4
113.02466	10.6
119.03524	13.4
123.04535	4.5
131.03535	2.7
136.98834	3.0
141.73203	1.3
143.03560	1.6
149.04622	1.2
151.00360	1.5
152.08473	1.6
153.09245	1.8
161.04539	4.0
161.05968	1.9
164.98332	8.6
167.03496	3.3
179.05669	11.7
187.04240	1.3
189.48860	2.2
195.04848	4.0
197.00023	2.7
204.54797	1.4
209.04443	1.5
221.11775	1.7
236.97890	9.0
237.47995	2.3
269.04575	17.0
270.04947	1.7
283.11948	3.0
292.50604	1.1
299.01968	5.5
300.02451	1.1
314.04190	2.6
341.16299	2.4
367.17520	1.7
385.18793	2.3
445.11621	1.8
445.16565	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.2
59.01385	100.0
60.01738	1.8
68.10682	0.8
69.33546	4.3
71.01389	25.6
72.99287	1.0
73.02968	4.6
76.86299	0.9
83.01402	2.2
85.02950	7.0
86.57560	1.0
87.00897	1.8
89.02453	25.3
89.37628	0.9
91.22765	0.8
95.01389	2.2
96.96028	1.0
97.02942	1.5
98.21881	2.0
101.02457	18.1
113.02460	13.1
115.04121	1.2
117.03471	1.0
119.03530	10.8
119.05019	7.7
121.02916	1.6
125.06132	1.9
131.03491	1.5
138.06876	4.1
139.07718	1.6
143.03554	2.4
143.05011	1.1
145.03011	1.1
151.07668	4.3
152.08423	10.9
153.09235	32.0
159.03020	1.6
159.04422	1.0
161.04575	12.7
179.05617	10.0
181.05086	4.8
187.04039	4.4
189.05554	1.0
191.07155	0.9
205.12378	11.5
209.11794	4.9
219.03235	0.9
219.06699	1.8
223.13402	9.1
225.07677	1.9
233.08247	1.5
244.07059	1.0
249.09048	1.2
253.09210	1.2
283.02548	1.5
293.08258	1.9
308.66922	0.9
309.09561	1.2
315.05118	1.3
325.10889	1.7
337.10730	1.0
357.13870	1.3
369.13364	1.0
385.18686	18.4
386.19254	1.2
413.12146	1.4
417.56381	0.9
445.15366	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	445.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36246	1.2
59.01374	3.3
60.49816	1.2
70.06516	2.7
70.09359	1.2
71.01381	3.8
71.05002	2.6
73.02951	8.3
85.06624	1.3
87.04522	9.4
94.92487	1.2
97.02946	1.8
97.06586	3.6
100.01669	1.7
101.06087	31.6
105.78852	1.2
113.06100	31.7
115.04018	100.0
115.07657	46.3
116.04317	3.3
119.08681	2.9
121.24036	1.7
125.02374	1.6
125.06080	2.7
129.05551	3.0
143.07135	11.3
149.09714	3.2
163.07675	13.3
171.06653	18.0
174.06837	2.3
182.37389	1.5
215.10774	1.4
217.12247	1.4
227.10855	1.5
227.14594	1.7
229.15961	1.8
255.13911	5.0
261.11386	2.3
269.04706	1.6
273.14990	23.3
274.15237	2.1
309.18542	2.5
327.19608	7.8
343.19104	10.1
371.18726	14.0
372.19086	1.6
445.22314	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	445.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
59.01393	3.5
70.94259	1.6
70.94591	2.0
71.01382	2.7
71.05019	3.1
73.02953	5.3
85.02953	1.6
87.04523	9.3
97.02946	2.4
97.06598	4.2
100.01662	2.5
101.06089	33.0
105.58035	1.3
113.06100	22.2
115.04023	100.0
115.07662	48.1
116.04408	1.4
119.08665	3.2
125.02512	2.6
129.05551	2.9
143.07164	10.6
144.07686	1.9
149.09740	2.9
158.17906	1.3
163.07654	12.9
171.06670	12.7
173.06032	1.3
174.06818	2.3
175.91348	1.5
202.09892	1.4
215.10684	1.6
229.16011	3.1
255.13953	3.2
261.11298	2.1
273.14963	21.1
274.15369	1.9
299.19910	1.7
310.19763	1.5
327.19763	3.5
343.19153	6.3
350.50092	1.4
359.22183	2.0
371.18643	10.3
426.76138	1.4
445.22354	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	445.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.1
58.00610	1.1
59.01384	65.6
66.10410	0.8
69.11797	5.1
70.29788	1.0
71.01379	2.4
71.05025	2.7
73.02947	7.1
81.03447	5.9
82.22870	0.7
83.05042	1.9
84.02147	1.1
85.02980	1.7
85.06594	0.9
87.04524	11.2
97.02978	2.5
97.06609	3.6
99.04524	5.0
99.08209	1.2
100.01675	1.5
101.02459	1.7
101.06091	43.9
108.02186	0.9
109.06617	1.1
113.06099	38.9
113.52074	0.8
114.06410	1.6
115.04025	100.0
115.07657	54.1
116.04369	2.6
116.07986	1.5
119.08653	4.1
121.06627	0.9
125.02467	2.7
125.06123	1.6
129.05611	3.3
129.56129	0.8
140.92284	0.8
143.07152	14.9
149.09732	2.0
153.05582	2.0
159.06679	1.2
163.07666	17.4
164.65282	0.9
165.09183	1.4
171.06648	15.7
174.06915	1.0
189.05673	1.0
191.10883	0.9
212.79869	0.9
215.10854	1.3
217.12244	0.9
229.15955	2.9
235.09610	1.1
255.13795	4.9
261.11356	1.3
269.04388	1.1
273.14993	28.4
274.15387	1.5
285.22192	2.9
301.14603	1.3
309.18680	2.0
311.16794	0.9
327.19632	4.4
343.19168	7.0
345.20361	1.0
359.22195	1.7
371.18741	10.3
372.18896	1.5
373.69846	1.0
385.27350	2.8
427.21567	1.3
445.22339	10.8
446.22507	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	445.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57481	0.7
55.01876	1.0
57.03448	1.5
59.01384	5.2
61.25203	0.7
69.13777	3.1
69.14178	1.6
71.01385	4.8
71.05014	2.4
72.99288	1.1
73.02962	6.6
77.31069	0.7
83.05052	0.8
84.39505	0.9
85.02950	0.8
87.04516	11.8
97.02956	1.2
97.06590	3.8
99.04535	1.2
100.01678	2.9
101.02464	2.1
101.06088	30.0
107.04986	0.9
109.06579	1.1
113.06100	37.8
115.04022	100.0
115.07658	36.1
116.04373	2.2
116.08051	1.1
119.08669	3.1
121.02984	0.9
121.06628	0.9
123.08171	1.0
125.02453	2.0
125.06097	2.6
125.06937	0.7
129.05592	3.2
137.06079	1.5
142.40265	0.8
143.07155	10.3
144.07632	0.9
145.10272	0.8
147.08156	0.8
149.09747	3.4
151.07616	0.8
153.05595	1.8
159.06615	0.7
161.06020	0.8
163.07649	11.3
165.09203	1.4
171.06645	15.0
173.06096	1.8
174.06889	0.8
175.07715	0.8
185.84857	0.8
189.05589	1.3
191.10794	1.1
195.06717	1.7
199.11459	1.1
215.10838	1.5
217.12399	1.4
228.31514	0.8
229.16006	2.8
233.23398	0.8
235.09790	1.4
240.11473	0.8
245.15565	1.3
255.13948	3.1
261.11353	1.6
269.04584	2.4
273.14984	20.8
274.15155	1.8
299.20151	1.6
309.18588	1.7
325.18167	1.4
327.19745	5.0
343.19144	7.1
353.17587	1.5
359.22314	1.8
371.18573	11.5
372.19025	2.1
385.14642	1.3
427.21454	1.1
445.22278	10.8
446.22726	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
58.00609	1.6
59.01386	2.3
62.61594	0.9
71.01392	2.0
71.05014	1.9
73.02946	7.1
77.88099	1.0
79.49242	0.9
83.05006	1.0
87.04523	10.4
88.85717	1.0
95.05027	1.6
97.02943	1.7
97.06604	3.6
99.04510	2.2
100.01673	3.1
101.02455	3.0
101.06096	34.9
111.16798	1.0
113.06105	26.4
115.04027	100.0
115.07664	53.0
115.08884	1.2
116.04358	1.9
119.08675	3.3
119.10773	1.1
125.02450	1.6
125.06093	2.3
127.07705	1.2
129.05586	4.1
139.04005	4.0
140.04288	1.0
143.07143	9.0
149.09711	2.8
153.05602	1.7
163.07692	12.4
163.11380	0.9
164.07974	1.0
165.09261	1.8
171.06648	20.6
173.06087	1.4
174.06828	1.7
195.06546	1.2
215.10760	2.3
220.83485	1.1
229.16026	3.3
235.09750	1.7
255.13857	3.6
261.11313	1.3
271.20679	1.1
273.14981	21.9
274.15350	2.8
279.40567	1.0
281.18945	1.1
299.20288	1.3
301.21878	1.5
309.18643	3.0
325.18234	1.3
327.19531	3.8
343.19189	5.7
359.22284	2.0
371.18707	10.8
372.19278	1.3
445.22366	10.7
446.22601	1.4
456.92352	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	35.9
60.42905	5.0
68.66132	5.3
71.01366	5.0
74.79813	5.2
78.95928	5.3
81.08734	5.1
82.73608	5.1
87.04518	13.5
89.77090	4.6
96.95992	5.9
101.06094	34.9
113.06092	33.3
115.04018	100.0
115.07656	44.7
119.05025	23.1
121.03011	9.1
129.05640	6.4
136.98834	4.9
143.07138	10.6
163.07687	23.7
171.06625	12.1
243.05315	4.9
269.04565	11.2
273.14917	23.3
288.28430	5.3
327.20026	7.0
371.18686	14.3
445.22131	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	445.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51249	0.4
59.01372	1.8
63.14792	0.4
70.72563	0.7
71.01381	0.7
78.95908	6.4
79.63758	0.5
85.02955	1.1
110.98539	4.4
112.69517	0.5
113.02455	1.3
113.05947	0.4
152.99707	0.5
160.89229	0.8
167.01215	2.2
175.02533	0.7
179.86505	0.5
185.02225	4.2
197.06123	0.6
223.04108	0.6
242.28552	0.5
259.20624	0.5
269.04559	14.0
270.04944	0.8
275.20428	0.6
277.21750	100.0
278.22067	9.9
369.88214	0.4
445.07007	0.5
445.23633	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	446.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.7
61.98835	100.0
62.98557	0.3
78.95899	1.7
96.15835	0.3
130.08749	7.0
150.04216	0.6
151.49001	0.4
174.99324	0.5
208.93681	0.3
217.00406	1.0
244.04996	0.4
288.07700	6.3
288.10626	0.6
289.66742	0.3
446.06757	1.1
467.84100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66730	3.9
57.97545	4.3
59.01381	21.3
61.98827	8.4
69.37541	14.4
70.02982	6.4
70.63811	3.3
71.01390	4.2
73.98328	5.1
82.06618	7.6
84.02187	5.3
85.02959	8.6
96.99960	5.4
97.02982	4.1
98.00680	3.9
109.06590	27.1
110.03731	10.2
110.06138	3.8
111.04522	8.2
119.05024	6.6
133.03090	3.4
135.04526	5.7
138.03836	17.9
140.91107	3.3
149.06209	4.4
179.60033	4.0
250.24821	3.2
284.03375	3.8
285.04092	10.0
354.20795	67.7
355.21091	5.9
361.14700	7.4
384.16434	77.0
384.55099	3.7
385.16882	5.0
386.69217	3.5
397.07086	4.1
402.17496	18.8
446.10666	7.2
446.16510	100.0
446.22751	6.6
447.09589	4.4
447.16528	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	446.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04678	1.6
59.01376	2.5
61.98808	2.7
69.03464	2.6
70.02988	14.3
71.53082	2.0
71.65755	1.9
73.98306	4.2
75.59404	1.8
78.26899	2.1
82.06627	8.3
84.02168	8.5
84.04556	4.6
85.02950	6.6
96.99925	7.4
97.02969	3.4
98.00703	9.6
109.02957	7.4
109.06605	27.8
110.00724	4.1
110.03751	13.5
110.06126	4.9
110.06910	2.0
111.04529	6.9
119.05067	2.7
123.01500	3.2
138.03856	15.3
144.08086	2.0
149.06094	6.1
210.14476	2.0
211.13364	2.5
232.84111	2.4
274.12708	3.7
285.04147	2.8
329.23447	7.9
336.19522	4.6
337.60733	2.1
340.13840	4.4
354.20767	62.6
355.21094	7.0
356.16843	4.4
361.14832	5.4
384.16434	69.4
385.16745	8.3
402.17456	16.8
446.16467	100.0
447.10049	3.1
447.16791	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	446.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21979	1.8
56.92886	1.6
58.02995	2.1
58.04088	3.9
59.01385	43.2
61.98829	1.9
66.65150	1.5
67.03005	3.3
69.42812	7.1
71.01376	3.5
71.69026	1.6
81.04579	1.7
83.02508	9.6
85.02952	3.5
89.02496	1.7
92.05067	21.7
96.07357	1.6
96.96024	2.6
98.22622	4.1
100.04018	2.2
102.05608	7.5
109.04094	12.9
120.04588	2.1
124.05216	2.2
126.06745	38.7
127.07178	1.8
128.03548	28.8
135.04599	2.1
135.05621	3.2
136.04060	3.2
137.02420	3.8
138.06769	2.5
146.04576	7.5
147.04579	1.9
147.05635	10.2
148.04082	17.3
162.09161	1.7
163.06244	2.2
177.10384	8.8
183.06662	3.0
185.59886	1.7
189.10316	10.6
215.08287	3.0
221.09296	3.0
231.12456	1.8
233.09425	14.5
275.11520	33.7
285.03970	3.2
300.11084	4.8
303.70258	1.9
307.06433	2.1
317.13702	11.1
360.16708	16.8
404.15790	100.0
405.16260	8.8
428.16907	3.2
429.15256	11.5
446.17972	73.1
447.18295	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	446.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33389	2.5
59.01384	12.5
61.83084	2.7
61.98837	7.5
63.12203	3.0
69.03464	11.7
69.51178	5.3
69.51581	8.5
71.01403	2.6
79.01914	6.9
88.22269	2.5
89.02460	3.0
91.04022	23.4
96.96024	42.8
97.02951	7.1
99.08138	2.9
99.88197	2.4
99.92607	5.1
102.68465	2.5
107.01403	16.4
108.02164	3.8
112.87129	2.8
118.89999	3.7
119.05114	3.7
125.02451	11.1
134.04785	4.6
135.00923	6.9
151.00345	15.6
152.01210	5.5
211.13383	22.1
229.14394	14.0
242.05890	21.6
243.06659	11.6
270.04916	3.3
284.03055	3.4
285.04071	6.5
311.22318	13.1
329.23367	100.0
330.23764	6.4
447.13223	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	446.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.9
60.97974	2.9
61.98820	8.0
69.03464	11.7
69.48437	14.4
91.04021	19.8
92.00631	3.3
95.95238	3.1
96.96021	50.4
96.96952	4.4
97.02976	5.5
98.22654	7.1
99.92625	4.0
107.01382	12.0
125.02431	8.2
134.04765	6.0
135.00929	7.5
151.00375	8.5
152.01224	4.3
211.13322	17.4
229.14481	11.2
242.05843	8.6
284.37439	3.1
292.27023	3.6
311.22321	12.4
329.23331	100.0
330.23666	7.6
400.02097	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	446.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29678	10.6
59.01390	19.1
61.98809	12.4
69.38462	55.7
75.77203	11.9
78.95913	55.7
87.04534	34.6
96.96970	17.6
99.92599	17.0
106.03664	12.0
115.03991	29.1
116.92905	31.6
136.54391	11.3
152.99586	100.0
169.71718	12.4
248.44023	13.3
286.06195	17.9
287.05707	21.8
375.33090	12.4
386.14993	39.2
387.14487	26.4
398.53220	13.7
447.12640	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	447.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81063	0.3
59.01136	0.3
59.01388	3.5
64.80927	0.3
65.00316	1.2
69.56557	1.3
71.01369	1.1
73.02950	0.6
74.02481	0.7
74.48589	0.3
75.00893	0.4
83.01392	0.9
84.93877	1.0
89.02422	0.3
92.89329	0.3
95.01421	0.3
96.99325	0.3
99.00873	1.0
99.91987	0.5
99.92599	6.6
100.92650	0.6
100.93365	10.3
101.02447	0.5
101.93420	0.3
103.00399	0.5
107.01423	1.9
110.00102	2.4
113.02445	0.7
114.93451	0.4
115.92088	10.2
115.92900	0.5
116.92871	73.8
117.03465	0.8
117.92865	2.7
119.05051	0.8
121.02907	0.3
130.04269	0.3
133.02963	6.8
134.03239	0.4
135.04550	0.9
136.98799	0.7
137.99582	0.4
140.92847	0.4
142.94482	0.7
149.02458	1.5
151.00392	4.6
155.05035	0.4
156.92401	0.7
158.93912	0.7
163.00464	0.5
165.99072	2.1
169.06618	0.3
171.04572	0.5
175.03983	2.1
183.01201	0.4
184.91861	1.1
185.06104	0.5
196.95541	0.4
198.03206	0.6
199.04012	2.2
200.04810	1.1
201.01956	0.5
209.11873	0.7
211.04054	1.3
213.05658	0.9
217.05144	1.2
227.03543	1.3
239.03581	1.6
240.04271	0.6
241.05190	1.2
243.03046	0.8
255.02994	2.5
256.03729	0.9
267.03046	0.7
268.49667	0.4
283.02478	1.5
284.03278	23.6
285.04056	100.0
286.04440	6.4
325.03546	0.4
343.04803	2.7
361.05994	2.4
362.06580	0.4
385.06158	0.7
403.06882	2.0
411.03854	0.8
429.11981	0.4
447.09708	26.2
447.26700	0.8
448.10278	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	447.0936
Annotation	Dihydrobaicalein 7-O-glucuronide
Peak:m/z	Relative Intensity
50.75542	0.9
51.21477	1.1
52.52328	0.9
59.01397	5.2
65.00321	3.3
71.01385	10.8
71.11282	0.9
72.99311	6.1
75.00887	2.1
83.01400	1.3
85.02962	6.9
87.00887	3.2
87.44282	1.0
89.02463	2.7
95.01394	4.6
99.00881	2.6
103.00368	1.7
108.02189	1.4
110.00108	3.2
111.00887	3.4
113.02459	11.2
115.00345	2.2
117.01955	1.7
123.00916	2.3
124.01697	11.6
133.01448	2.8
136.01691	3.3
136.98811	3.9
139.00386	6.4
149.02557	1.0
152.01172	10.4
157.01427	0.9
157.06645	1.6
165.07135	1.3
165.99065	1.8
166.99876	6.2
171.08177	1.7
173.06131	2.8
175.02513	3.0
181.06598	1.0
185.05994	1.7
194.82156	1.1
199.07660	1.2
225.05666	4.6
227.07115	2.7
229.05016	1.1
243.06638	40.7
243.09143	2.0
244.06863	1.5
253.05038	7.9
254.05647	1.3
269.04617	3.2
270.05103	2.1
271.06143	100.0
272.06503	8.0
447.09393	32.8
447.15677	1.5
448.09888	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01389	7.9
65.00321	3.9
67.01899	0.8
67.81808	0.4
68.99823	1.2
71.01386	6.7
71.10496	0.5
71.10844	0.6
72.99316	1.3
75.00880	3.5
83.01392	0.7
84.02158	0.5
85.02960	13.2
87.00903	2.3
89.02457	0.9
95.01395	7.1
96.99339	0.6
99.00906	4.8
103.00411	2.3
108.02166	1.3
110.00156	0.5
111.00893	6.9
113.02462	18.7
115.00392	0.9
117.01945	1.8
117.05049	0.4
121.84406	0.4
123.00878	2.2
124.01672	18.2
125.02029	0.5
129.02003	1.2
136.01675	3.8
136.98814	6.0
139.00386	11.2
151.41972	0.4
152.01166	12.1
156.00633	0.5
157.06602	1.7
165.07068	0.5
166.99866	4.4
167.19704	0.4
169.06621	0.7
171.08185	1.3
173.06087	4.0
175.02475	3.5
180.00635	0.9
181.06589	1.4
183.08264	0.5
185.06097	2.2
193.01410	0.6
197.06064	1.1
199.07684	1.3
201.05621	1.7
209.06116	1.4
215.07188	0.7
225.05582	8.6
226.05980	0.6
227.07211	2.5
229.05049	1.3
243.06633	43.3
244.06996	1.9
253.05104	5.8
253.16772	0.4
254.05478	0.5
271.06134	100.0
272.06442	5.6
447.09332	0.9
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
51.14339	0.4
55.01864	0.4
56.73013	0.4
57.03437	1.3
59.01384	8.4
59.55138	0.4
65.00325	3.4
67.01900	1.1
68.99805	0.8
69.32155	1.0
69.32600	1.4
71.01380	6.7
72.99310	1.2
73.67653	0.4
75.00886	3.1
83.01392	1.3
85.02953	12.8
87.00879	2.6
89.02461	1.4
95.01395	8.1
96.02185	0.6
96.99333	1.1
99.00892	4.6
103.00358	2.0
108.02173	1.8
109.02972	0.4
111.00892	6.7
113.02455	19.3
115.00401	0.8
117.01954	1.6
123.00917	2.7
124.01670	16.8
124.98825	0.5
129.01950	0.9
136.01663	3.8
136.98799	5.6
139.00391	11.5
139.76532	0.4
152.01167	12.3
153.07077	0.6
156.00679	0.8
157.06602	1.7
166.99860	4.9
169.06624	0.8
171.08138	2.0
173.06110	3.6
175.02501	3.2
180.00662	0.8
181.06598	1.7
185.06143	3.0
193.01372	1.1
197.06085	1.2
199.07645	1.4
201.05615	1.5
209.06071	2.4
215.07220	0.5
223.05850	0.4
224.51851	0.5
225.05606	7.1
226.05762	0.5
227.07057	2.4
229.05185	1.0
231.84692	0.4
243.06619	45.3
244.06950	3.0
253.05061	6.9
266.96606	0.4
269.04550	2.1
270.04880	0.8
271.06131	100.0
272.06467	5.7
447.09381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75331	0.1
57.03448	0.3
59.01385	1.6
61.98845	0.2
62.75676	0.1
65.00323	1.3
67.01898	0.7
68.99830	0.3
69.06298	0.1
69.27403	0.7
75.00888	0.2
82.00623	0.2
83.01390	0.2
85.02984	0.2
89.02481	0.1
93.03477	0.5
95.01402	0.7
107.01473	0.2
109.02942	0.9
110.00099	1.3
111.00890	0.4
113.02473	0.3
117.03465	1.2
119.05048	0.6
120.02206	0.3
121.02945	0.2
123.00858	0.4
123.04562	0.2
125.02453	1.3
125.86243	0.1
130.04330	0.2
131.05026	0.3
133.02971	4.7
134.03314	0.2
135.00865	0.2
135.04558	0.8
136.98825	2.1
137.02446	0.5
137.99599	0.3
139.00381	0.6
143.05042	1.3
145.02971	2.0
146.27357	0.2
147.00934	0.1
147.04559	0.2
149.02382	0.2
149.99606	0.3
151.00406	0.1
151.04028	0.3
153.01971	0.2
155.05058	0.3
156.05821	0.2
157.06610	0.3
159.04575	0.4
159.67047	0.1
161.02466	0.3
163.00391	4.1
164.01170	0.9
165.01956	0.5
165.99121	0.8
166.99818	0.3
167.05006	0.3
169.05209	0.2
169.06596	0.8
171.04532	1.9
173.06009	0.3
175.04015	0.6
177.01964	0.5
180.46439	0.2
181.05237	0.2
183.02942	0.2
183.04524	0.5
184.05341	0.3
185.06116	2.3
186.03249	0.3
186.06483	0.2
187.04036	3.7
188.04480	0.3
189.05585	0.5
190.99866	0.4
192.00745	0.9
195.04538	0.5
196.05301	0.2
197.06097	0.8
199.04019	0.8
200.04793	1.0
201.01947	0.3
201.05533	0.4
207.06694	0.2
211.04002	1.1
211.13385	0.4
212.04796	0.9
213.05583	6.8
214.02698	0.6
214.05930	0.3
215.03532	1.5
216.03809	0.1
217.05115	0.6
219.06551	0.2
223.04063	0.2
227.03577	0.9
228.04262	0.5
229.05098	2.2
231.06566	0.2
239.03432	1.4
240.04314	0.7
241.05064	3.1
242.05554	0.3
243.03009	0.3
249.07787	0.2
253.05025	0.2
255.02980	1.4
256.03766	0.9
257.04565	1.8
267.02850	0.3
268.03760	0.2
269.04459	0.2
271.06302	0.3
275.05582	0.3
283.02509	1.2
284.03302	18.4
285.04065	100.0
286.04419	8.0
297.04443	0.2
297.07748	0.4
309.07608	0.2
341.06473	0.2
385.09482	0.2
397.09503	0.3
411.10901	0.2
429.11920	8.8
430.12210	0.9
447.09354	23.7
448.09686	3.0
453.61554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Scutellarein 6-O-galactoside
Peak:m/z	Relative Intensity
55.88396	0.3
59.01384	25.3
61.98819	0.9
65.00337	1.6
68.65689	0.3
69.15318	2.5
73.02936	0.9
76.46855	0.3
78.45549	0.4
82.00593	1.1
85.02959	1.1
85.46181	0.3
85.72092	0.3
89.02448	1.2
93.03440	0.5
95.01378	0.4
99.00927	0.3
101.02441	1.7
109.13005	0.3
110.00100	10.0
113.02458	1.0
117.03483	2.0
119.03530	0.4
119.05081	0.3
123.04620	0.4
130.04308	0.5
131.05115	0.5
133.02972	0.6
135.04532	1.4
136.98808	1.1
137.02509	0.4
137.99593	1.5
145.02979	0.3
155.05067	0.7
156.05823	0.4
159.04485	0.7
161.02452	1.3
161.04564	2.2
163.00400	2.4
164.01190	0.6
165.01941	1.0
165.05737	0.5
165.99081	9.2
177.01939	0.4
177.05775	0.3
179.05627	0.4
181.05077	0.4
183.04524	0.5
185.06102	0.3
187.04018	0.9
199.04053	0.7
200.04796	3.7
203.03551	0.5
207.13860	0.4
211.03986	1.3
213.05646	0.9
215.03494	0.4
227.03522	3.4
228.04300	1.0
229.05005	0.4
239.03575	2.1
240.04224	0.6
241.05046	0.7
255.03065	3.5
256.03732	2.2
257.04517	0.6
283.02487	5.0
284.03278	100.0
285.03922	21.6
286.04498	1.1
297.04102	0.4
309.09979	0.8
327.05099	0.7
387.20563	0.8
429.12140	0.7
447.09351	64.8
448.09723	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46891	0.8
55.01885	1.7
57.03445	2.6
59.01384	15.2
63.02409	4.5
65.00327	11.3
66.54988	0.9
70.17873	0.9
70.18182	1.5
71.01385	11.0
71.24750	0.8
72.99308	2.1
73.02955	0.9
75.00888	6.4
83.01387	8.5
83.34785	0.9
85.02956	28.7
86.29711	0.9
86.93082	0.8
87.00873	3.6
89.02450	2.0
93.03466	8.2
95.01390	11.1
98.21958	1.3
99.00883	11.6
103.00381	3.8
107.01401	21.2
111.00889	1.1
113.02462	62.8
114.02792	1.7
115.00354	1.9
117.01920	2.7
119.05040	54.1
120.05383	1.3
124.74268	0.8
125.02454	1.7
129.01924	2.4
145.02950	1.2
151.00383	75.9
152.00719	2.1
157.01427	1.1
164.08537	0.8
165.01947	2.8
169.01424	1.5
170.99814	0.8
175.02495	23.5
177.01930	5.7
185.06024	2.4
187.03993	2.6
227.07098	3.4
242.36909	0.9
271.06134	100.0
272.06500	8.4
415.32455	0.9
447.09357	6.2
448.09412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29441	0.4
57.35369	0.3
59.01392	4.2
65.00318	2.5
71.01387	3.8
72.00941	1.0
72.99316	0.5
73.02974	1.6
75.74692	0.3
75.92496	0.4
82.00624	0.3
82.06638	0.4
82.71156	0.4
83.01433	1.6
83.82219	0.4
85.02962	3.0
88.04050	2.1
93.03513	1.2
95.01414	0.8
96.13316	0.4
99.00903	0.9
101.02445	1.0
107.01394	2.4
110.00105	2.0
113.02464	4.1
115.00395	3.9
117.01983	0.4
117.03489	3.1
118.73140	0.4
119.05023	5.5
124.01698	0.8
129.10399	1.3
131.05089	0.4
132.03030	3.3
133.02962	5.7
136.98854	1.3
139.00433	0.8
141.10394	0.7
143.05032	0.5
145.02954	5.7
146.06161	1.4
146.80540	0.4
149.02451	1.2
151.00389	7.3
155.08318	1.6
159.04619	0.4
163.00394	0.8
164.07253	0.5
164.98376	1.0
165.93095	0.4
165.99103	2.6
166.99867	0.4
167.04922	0.4
168.06656	0.6
175.02525	1.9
175.04073	1.8
177.02043	0.7
181.12404	1.1
185.06129	1.2
185.09367	0.7
187.03973	0.7
199.04033	1.6
200.04767	0.5
201.05641	0.4
211.04001	1.5
212.05017	0.4
213.05678	1.1
217.05127	1.2
218.44057	0.4
218.54988	0.4
225.11345	2.8
227.03542	1.5
228.04269	0.6
239.03531	2.0
240.04182	0.6
240.81467	0.4
241.05127	0.7
243.03075	0.6
255.02982	1.6
256.03745	0.8
257.04660	0.5
267.03073	1.1
269.04608	0.9
271.06165	6.4
272.06259	0.5
283.02454	1.4
284.00751	0.3
284.03275	21.5
285.04059	100.0
286.04407	8.0
307.08368	0.7
314.15256	0.4
327.08765	0.5
332.16165	3.3
333.14618	3.3
365.19751	0.6
368.16040	0.4
404.18292	0.6
439.26709	0.5
447.09241	29.2
447.16971	1.2
448.09641	4.0
448.17184	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
59.86766	0.7
63.13503	0.7
65.00325	4.5
69.49272	3.6
72.99314	0.8
79.95778	1.3
85.02971	1.4
96.96043	1.4
97.37041	0.7
98.22612	0.9
99.00906	0.8
108.02194	0.8
110.00093	7.9
113.02489	1.3
117.03458	1.3
119.05064	3.3
123.00878	0.9
135.04533	5.7
136.98845	4.4
137.02452	1.2
137.99617	0.8
139.00464	1.3
143.05013	0.9
151.00406	1.7
151.03981	0.8
159.04471	1.0
161.02557	1.0
163.00447	2.2
164.01152	1.1
164.98328	1.7
165.01994	1.0
165.99115	7.5
166.83066	0.7
166.99898	1.0
167.04945	1.1
171.04558	1.5
175.04086	0.9
183.04521	1.7
184.05319	0.8
185.06100	1.8
186.03191	0.8
187.03987	1.0
195.04541	1.7
197.02884	0.9
199.04117	1.3
200.04774	3.1
211.04025	3.7
212.04814	1.6
213.05582	2.6
227.03595	4.1
228.04167	1.6
229.05139	0.9
239.03496	7.6
240.04245	1.5
241.05054	1.6
243.06799	1.5
251.76385	0.8
255.03030	5.0
256.03793	1.7
257.04507	0.9
267.02985	2.3
267.10806	1.1
269.04694	1.1
271.06174	5.1
271.10645	0.8
283.02484	5.6
284.03281	89.1
285.04047	100.0
286.04385	7.1
297.04007	1.2
311.07748	1.7
447.09311	92.7
447.15823	4.3
448.09616	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	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87853	0.7
59.01382	4.1
65.00327	10.0
69.50871	0.7
79.95739	1.0
107.01402	2.9
108.02193	0.7
115.37162	0.6
117.03468	1.9
118.29930	0.6
119.05037	2.0
123.04490	1.3
133.02962	2.3
135.04536	8.0
136.98822	12.3
139.00392	0.9
149.99641	1.0
151.00372	5.9
152.00687	0.7
155.05066	0.9
159.04544	2.1
161.04713	0.8
164.01224	1.0
164.98305	3.8
165.01840	0.7
166.11812	0.7
166.99971	1.0
171.04572	0.7
174.03232	1.4
175.03972	1.3
181.05072	1.2
183.04536	1.4
184.05356	0.9
186.03178	1.6
198.03229	0.8
199.03954	1.4
200.04758	2.2
211.04086	2.1
212.03012	0.7
212.04834	2.9
217.05031	1.1
225.07594	1.3
227.03568	3.8
228.04257	2.0
235.25836	0.7
239.03535	1.9
241.05081	1.3
255.03082	1.5
256.03870	3.4
257.04483	0.8
267.03064	1.9
269.04700	3.2
283.02448	5.1
284.03293	85.7
285.04047	100.0
286.04413	7.0
327.05197	1.1
343.13361	2.6
429.11743	2.3
447.09341	85.2
448.09665	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	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03906	0.2
54.17955	0.2
58.29055	0.2
59.01397	1.2
62.11214	0.2
63.02411	1.0
65.00332	1.6
69.45702	1.1
83.01406	0.9
93.03451	0.3
101.02454	0.2
105.03478	0.3
107.01411	2.9
109.02973	0.8
109.14634	0.2
109.28797	0.2
117.03468	1.2
119.05046	0.5
120.02274	0.2
121.02992	1.2
123.04574	0.4
125.02449	0.3
129.02037	0.2
129.19092	0.2
133.02972	11.5
134.03270	0.4
135.04535	1.1
136.98785	0.4
149.02469	3.1
150.99165	0.4
151.00392	8.6
152.00696	0.3
159.04552	0.6
165.05466	0.3
169.01439	0.5
169.06664	0.2
171.04538	0.5
173.06126	0.3
175.04022	3.6
176.04453	0.3
177.01904	0.3
179.07130	0.3
181.05043	0.3
185.06044	0.6
189.05585	0.4
191.07179	0.3
197.06111	0.8
198.03270	0.8
199.04031	4.1
200.04515	0.5
201.01945	1.4
211.04001	0.6
212.04788	0.4
213.05525	1.1
215.03575	0.8
217.05089	2.3
223.04105	0.5
227.03601	0.6
229.05145	0.4
235.06084	0.3
239.03545	0.5
240.04393	0.3
241.05081	1.4
242.02000	0.3
243.03026	0.8
256.03806	1.2
257.04532	0.5
267.03064	0.4
283.02634	0.7
284.03336	4.5
285.04083	100.0
286.04425	6.9
297.03647	0.3
327.05063	0.6
327.10941	0.7
429.11975	1.0
447.09381	53.0
448.09766	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	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35593	0.4
53.68664	0.5
57.03438	2.0
59.01388	7.7
63.02397	2.7
65.00324	3.3
70.03871	1.1
71.01398	3.0
72.99311	1.5
73.02921	0.8
75.00877	2.1
83.01390	3.6
85.02955	7.3
87.00896	1.1
89.02445	1.0
91.05551	0.8
95.01374	1.5
99.00887	2.6
101.02453	1.1
103.00410	0.7
107.01398	3.7
109.02954	0.8
111.00876	0.6
113.02459	12.2
115.05520	0.5
117.01962	0.8
119.05043	0.7
121.06597	0.9
124.01664	1.8
125.02466	6.5
131.04971	0.6
133.06587	0.6
135.04515	0.4
136.98868	0.4
137.02477	0.8
141.07115	0.8
145.01398	1.2
150.91266	0.5
151.00385	4.3
153.01978	0.9
157.06644	1.4
161.06090	3.8
164.98300	1.2
165.01895	1.0
167.03557	0.8
171.04657	0.5
173.06041	0.8
175.02522	2.3
181.06650	0.8
185.06065	1.5
195.04390	0.4
197.06125	5.9
199.07677	0.5
209.06142	1.0
211.04129	0.7
213.05544	0.7
215.07210	1.4
225.05580	2.7
227.07068	0.4
243.06651	1.1
253.05067	9.9
254.05370	0.5
269.04614	2.2
271.06134	100.0
272.06467	8.8
285.04086	5.9
309.66037	0.4
447.09109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01570	1.5
59.01368	5.5
60.99198	1.4
61.98827	3.1
69.35732	8.9
71.01389	5.5
78.95911	3.4
85.02946	2.3
89.02454	2.2
96.96003	1.8
98.22637	3.2
99.00889	2.7
101.02453	3.0
108.02183	47.3
109.02973	15.5
110.98460	1.7
113.02394	3.0
116.95358	1.6
122.02483	3.8
139.04027	2.3
147.44173	1.5
152.01164	86.2
153.01741	5.1
161.04628	1.9
163.03992	3.9
175.03995	1.6
343.60361	1.9
382.54401	1.8
429.03003	1.8
447.11423	100.0
448.11716	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59231	0.9
58.08464	0.8
59.01377	3.9
60.80404	1.0
70.16442	2.3
71.01389	4.9
73.02946	2.6
85.02954	3.2
89.02467	2.3
99.00887	2.9
101.02457	3.8
108.02186	49.9
108.02926	2.4
108.38171	1.0
109.02988	16.5
113.02486	2.1
131.10068	1.0
139.04041	1.1
151.04024	2.4
152.01167	100.0
153.01794	3.8
157.65178	1.0
159.02997	1.1
161.04620	2.1
163.04030	3.1
315.07254	1.4
447.11444	99.3
448.11813	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98036	2.6
59.01382	30.6
59.51828	1.5
61.80951	1.5
61.98835	4.0
62.22181	1.5
63.96243	15.7
65.00335	1.8
67.01897	2.1
69.81195	3.6
70.63473	1.6
71.01392	20.6
72.99304	1.9
73.02940	6.0
73.98832	1.4
74.99104	9.2
75.00876	25.0
81.03458	2.5
83.01396	3.6
85.02953	6.4
87.00866	5.7
89.02451	16.4
91.01894	7.0
93.03482	17.9
95.01382	3.8
97.32101	1.8
99.00883	5.7
101.02459	12.2
107.01414	4.8
108.02180	9.0
109.02967	8.6
110.33370	1.9
111.00877	2.7
113.02457	9.3
117.01961	2.7
117.97328	87.1
119.03487	4.0
122.03711	2.5
123.00835	2.8
123.04537	34.9
124.01661	2.4
125.02446	6.8
131.03520	2.2
133.03055	1.7
135.02773	5.4
136.01646	3.9
137.02475	45.3
149.02380	1.6
149.99579	4.7
150.03299	2.3
151.00401	15.8
152.01202	12.8
153.01953	8.2
155.40309	1.7
161.04558	4.1
166.02731	19.0
167.03519	94.9
168.00636	9.2
168.03856	4.1
169.01447	1.9
179.03491	7.3
179.05611	5.1
181.05090	12.6
194.02206	14.9
195.02925	3.4
201.65988	2.0
209.04575	87.5
210.04893	4.0
237.04372	4.2
239.05637	13.4
255.05142	6.6
269.06644	24.0
285.04077	2.7
297.08328	17.4
298.03619	20.1
299.04300	4.7
348.74139	1.7
357.08286	12.4
371.09818	7.1
375.13074	2.6
447.10831	100.0
448.11502	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	447.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31158	0.7
59.01384	12.1
59.47676	1.0
60.03935	0.8
69.03461	74.0
70.03803	1.0
71.01402	1.5
71.06052	1.2
73.02932	1.1
76.94120	0.7
79.01896	25.1
81.03468	3.8
83.01422	0.7
85.02982	2.2
89.02441	1.0
95.01421	3.5
95.77146	0.8
96.96027	3.6
97.02957	46.7
101.02475	0.9
107.01399	68.8
108.02208	16.0
109.03027	4.0
113.02487	1.4
119.05031	4.1
121.02983	1.9
123.00914	5.0
125.02457	90.3
126.02826	2.7
133.03006	2.2
135.00902	53.4
135.04581	2.7
136.01736	4.1
137.02481	2.1
145.02995	1.0
149.02499	3.4
151.00385	75.7
152.01170	38.0
153.01947	5.6
163.04001	6.7
171.57349	0.8
176.01207	0.8
177.01936	9.5
180.25848	0.8
197.06143	2.4
225.05544	0.8
239.97415	1.0
242.05864	100.0
243.06593	59.6
244.06927	3.9
271.06259	1.3
281.65430	0.9
284.03439	2.4
285.04163	5.3
285.07733	2.6
339.07074	4.4
361.00769	0.9
387.11084	1.4
447.13220	31.8
448.13577	4.1
466.97421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03446	2.8
59.01385	100.0
59.69175	1.9
60.01714	1.8
61.98833	3.4
65.00327	8.0
67.01910	3.3
68.99818	1.5
69.03468	2.2
71.01396	12.7
73.02945	9.3
75.16812	1.4
81.03461	1.9
83.01389	8.9
85.02950	8.1
87.00907	2.4
88.80727	1.5
89.02460	11.1
93.03465	17.5
95.01404	10.2
95.05053	2.8
99.00877	1.9
99.04525	2.1
100.04766	1.6
101.02460	13.9
103.89910	1.9
107.05082	1.9
108.02171	2.9
109.02950	3.9
110.00118	1.8
111.00905	7.7
113.02480	8.0
113.06143	7.8
115.04003	7.7
117.03475	55.6
118.03786	1.7
119.03529	3.2
119.05041	7.3
120.05401	2.3
120.89054	1.7
121.02969	2.5
121.06603	7.1
122.57921	1.6
123.04545	20.0
125.02454	5.6
127.04049	6.1
133.02977	24.0
134.03740	2.3
135.04550	65.1
135.08156	3.9
136.04869	1.8
136.98817	32.3
137.06099	4.6
139.04037	10.9
139.07620	2.7
145.02983	2.6
147.04532	6.2
147.08217	3.8
149.06110	6.2
150.03256	2.2
151.04048	10.4
153.01942	9.9
159.04515	25.3
161.02452	21.9
161.04593	5.1
161.06100	2.7
162.02905	1.8
163.07674	12.0
164.04813	2.2
165.05557	10.5
165.09270	1.8
167.07169	6.4
169.01405	3.9
175.04051	4.1
177.01981	1.9
177.05573	8.3
178.99889	3.8
179.05640	3.4
179.07156	10.3
181.05084	19.2
182.05334	2.3
185.06071	2.2
187.03972	1.9
187.07721	1.7
189.05595	5.8
189.09225	2.8
191.03464	3.3
191.07219	16.8
193.05103	3.8
203.03516	22.9
204.03995	2.0
205.05115	2.1
205.08679	4.2
207.06639	2.5
207.13901	1.9
209.08208	4.7
209.11902	1.8
210.12083	1.9
211.03967	1.9
211.06058	3.4
212.04755	1.7
215.03526	1.8
215.07193	2.4
217.05229	2.6
219.06468	1.9
221.08206	3.4
223.06114	2.5
225.07758	7.3
226.08417	1.9
227.03561	3.4
231.06589	2.2
233.08247	14.6
235.05997	8.7
237.05565	4.2
239.03557	2.1
243.08797	2.4
251.09293	3.6
253.07249	1.7
255.03000	2.0
265.08694	1.9
267.08771	9.9
277.07330	1.9
281.08328	1.7
283.09836	2.3
284.03314	26.7
285.03989	8.8
285.09750	11.9
295.08936	1.9
299.02182	2.0
299.05679	2.3
309.10016	32.2
311.09323	3.2
325.10931	2.1
327.05060	4.6
327.11011	31.9
328.11313	1.8
353.10281	10.3
357.06287	2.6
359.14136	1.6
371.11465	13.7
387.20306	9.8
397.09247	7.2
405.21054	2.9
415.10300	8.6
429.11948	62.0
430.12201	6.1
447.08762	22.3
448.09662	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	447.1302
Annotation	Siebolside A
Peak:m/z	Relative Intensity
59.01381	2.2
61.98817	0.7
63.96230	0.3
65.00323	0.8
70.03059	0.8
70.27700	0.2
71.01389	0.3
74.99841	0.2
79.11556	0.2
79.95742	0.3
80.02692	0.4
91.01905	16.6
92.02233	0.5
93.03477	0.5
95.01386	0.7
107.01408	0.4
107.05060	0.7
108.02182	25.0
109.02995	4.1
119.05026	1.3
121.02944	0.8
123.00901	4.3
124.01682	0.6
130.90663	0.2
133.02968	0.4
135.00897	14.5
135.04482	0.6
136.01212	0.5
137.02451	4.5
152.01161	18.1
153.01576	0.4
162.83948	0.3
169.06641	0.3
197.06113	1.3
199.07700	0.8
213.05562	1.3
213.14931	0.3
215.07135	0.9
225.05634	0.3
241.05075	0.4
242.05882	0.4
243.06624	100.0
244.06978	6.2
255.03181	0.3
268.06827	0.3
271.06152	0.3
284.03214	1.0
285.04089	1.9
306.10434	0.3
387.11093	0.5
395.57547	0.3
447.08063	0.6
447.13947	2.2
448.13596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66509	0.2
59.01371	0.9
62.96412	1.2
63.39895	0.3
69.04839	1.2
69.05240	0.7
73.26180	0.2
78.95911	43.1
96.96984	2.7
96.97549	0.4
149.00102	19.4
150.00430	0.4
152.99619	0.9
158.92531	2.2
179.01166	2.2
193.32236	0.2
205.15971	2.0
240.06873	0.3
240.96704	0.4
267.11560	0.3
284.03433	0.4
285.03906	0.6
287.67136	0.3
347.08179	0.5
417.12433	0.7
431.10422	2.5
432.10825	0.4
447.13483	100.0
448.13785	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	447.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61499	0.3
59.01374	0.7
62.96415	1.4
65.00350	0.5
65.71767	0.3
66.16091	0.3
67.26820	0.3
69.23965	1.9
71.01382	0.4
78.95911	43.0
83.01398	0.3
85.02956	1.0
95.01392	0.5
96.96955	2.6
98.22583	0.8
113.02466	1.2
124.01672	0.8
135.03256	0.3
136.98773	0.4
139.00397	0.5
149.00105	20.0
150.00461	0.4
150.30533	0.3
152.01117	0.6
152.99599	0.4
158.92523	1.8
165.00719	0.6
166.99974	0.4
179.01207	2.1
199.77151	0.3
205.16010	1.4
206.16228	0.3
225.05656	0.7
229.04997	0.4
240.96854	0.5
242.08302	2.8
243.06714	2.0
253.05037	0.7
267.11597	0.5
268.06085	0.4
269.04568	1.0
270.04938	0.8
270.07690	6.7
271.06158	5.6
280.06131	0.4
285.03842	0.4
308.08435	0.3
333.07202	0.3
347.08099	0.5
348.68619	0.3
374.09912	0.4
417.12323	0.8
431.10269	2.9
432.10809	0.5
447.13467	100.0
448.13788	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	447.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	91.1
61.98829	5.9
70.06836	4.3
70.07146	2.8
71.01389	25.2
73.02962	13.2
85.02934	9.1
89.02454	27.8
92.05073	2.5
93.03499	2.7
99.00901	63.2
101.02455	14.5
113.02458	22.4
119.03510	2.9
123.04525	5.9
126.06782	3.1
128.03568	7.0
131.03503	5.0
135.04529	30.2
137.02429	4.3
145.17322	3.0
145.36223	2.5
147.05641	3.0
149.04532	10.3
151.00380	2.4
161.04602	3.6
167.03456	9.0
183.06628	3.7
191.05576	11.3
226.49005	2.8
263.04822	2.5
272.25177	2.5
276.11850	3.1
284.02988	3.3
285.03909	8.5
315.10886	16.2
315.54028	2.9
315.95926	2.5
339.59827	2.4
357.71246	2.7
405.16098	16.4
418.94467	2.8
447.14963	100.0
448.15091	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	447.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.2
61.98833	8.6
65.00318	1.7
71.01394	11.4
71.45905	1.1
73.02946	3.6
81.03448	1.7
83.01403	1.8
85.02942	4.8
89.02454	6.0
91.01906	7.7
94.14952	1.0
95.01388	1.3
96.99331	0.9
101.02460	6.4
107.01411	3.7
107.38165	1.0
108.02174	9.8
109.02993	2.9
111.00855	1.7
111.02007	3.4
112.93810	2.1
113.02451	3.8
119.03526	1.9
119.05062	1.6
119.46261	1.2
121.02985	1.7
123.00920	1.7
123.04534	33.5
124.04908	1.5
125.02453	2.2
135.04526	1.7
135.06667	3.4
137.02473	2.2
145.06252	2.4
147.00819	1.0
151.00359	3.8
152.01143	6.7
153.01949	1.6
166.02727	4.7
167.03513	100.0
168.03854	4.8
175.04037	1.3
181.05089	2.4
194.02347	2.0
195.02995	1.2
206.91986	4.0
209.04552	17.7
222.56358	1.2
224.13361	0.9
239.05713	1.2
251.05713	1.6
269.06644	2.6
284.03299	3.4
285.03946	5.3
311.07758	3.5
362.55859	1.1
447.09708	3.9
447.15085	72.7
448.09659	1.7
448.15405	9.6
471.11758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
58.71620	0.6
59.01385	21.1
65.00342	0.7
68.30328	0.5
69.81340	0.6
71.01384	8.9
72.72115	0.5
73.02965	2.4
81.03461	1.7
83.01398	1.8
85.02955	5.1
89.02453	4.2
91.01904	7.7
95.01354	1.4
96.96017	1.1
96.99299	0.7
97.02956	0.8
101.02450	5.2
101.81705	0.6
103.04012	0.7
107.01398	3.5
108.02188	11.5
109.02986	1.5
111.00953	1.7
113.02471	2.7
117.05653	0.7
119.03538	1.3
122.03783	1.3
123.00908	1.4
123.04546	37.7
125.02471	1.5
135.06668	3.8
151.00400	4.8
152.01170	8.5
153.01903	1.3
166.02742	5.4
167.03519	100.0
168.03908	3.7
181.05107	3.7
194.02216	3.1
195.02927	1.4
209.04579	21.2
210.04906	1.5
239.05629	2.5
241.05052	0.7
251.05656	1.3
269.06674	6.3
284.03409	1.0
285.04105	1.5
311.07916	3.6
347.32578	0.7
401.97806	0.6
447.15085	73.8
448.15338	9.1
448.20959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31985	0.5
55.01879	0.6
57.05647	0.5
59.01385	24.8
59.18486	0.4
65.00335	1.1
67.01909	0.9
68.99809	0.7
69.03451	0.5
69.64890	1.2
69.65275	1.0
71.01393	9.4
73.02951	2.5
73.56566	0.6
81.03454	1.7
83.01398	1.5
85.02974	4.8
85.17038	0.4
87.00918	0.7
89.02453	6.6
91.01903	8.2
95.01399	1.7
96.96034	2.7
96.99332	0.7
98.22603	1.0
101.02445	6.5
103.04053	0.7
107.01405	3.2
108.02181	8.6
109.02966	1.1
110.24136	0.5
110.46104	0.5
111.00882	1.2
111.02009	2.1
113.02440	3.4
115.08791	0.7
116.03613	0.5
116.92864	0.9
117.05576	0.6
119.03510	2.1
122.03794	0.9
123.00894	0.9
123.04538	31.4
123.64025	0.6
125.02460	1.2
135.06648	3.5
136.01723	0.6
137.02483	0.6
150.03288	0.8
151.00368	4.6
151.04112	0.6
152.01160	8.0
153.01883	1.8
161.04599	0.7
166.02740	5.0
167.03510	100.0
168.03870	3.6
179.05621	0.5
181.05083	4.0
183.99335	0.8
194.02142	2.5
195.02988	0.9
209.04561	22.1
210.04883	1.4
239.05653	2.5
251.05594	1.5
269.06671	5.9
270.06891	0.8
285.04120	0.7
296.05542	0.8
311.07703	3.6
387.09091	2.0
447.15079	79.6
448.15347	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	447.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01085	0.8
59.01385	14.9
61.98855	0.8
65.00328	2.0
69.10155	3.6
71.01380	2.7
73.02960	1.4
73.04085	1.1
76.82493	0.6
83.01400	1.9
85.02983	1.3
89.02458	1.7
90.28544	0.5
93.03442	4.2
94.72281	0.6
95.01398	1.7
95.05037	1.1
97.02956	1.0
97.06608	0.9
99.00909	1.1
99.04535	0.8
101.02465	1.7
107.01412	2.4
107.05035	2.5
109.02976	2.1
111.00875	1.7
113.02480	1.1
114.05614	0.7
116.92858	1.3
117.03512	3.2
119.05042	100.0
120.05331	3.2
121.02962	2.4
121.06638	0.8
123.04555	4.8
123.08161	3.1
128.03603	1.0
131.86963	0.6
133.02963	10.7
135.04544	5.7
136.98828	2.4
137.02490	1.0
137.06129	0.7
139.04033	1.8
139.07652	0.6
139.37856	0.6
143.05035	4.1
145.02951	1.1
147.04501	0.7
147.08159	1.3
148.04350	0.7
149.02457	2.7
149.06107	1.3
151.00362	5.9
151.04016	1.6
151.07687	0.9
153.01988	1.1
159.04512	1.2
161.02440	1.0
161.04590	1.6
161.06012	1.0
163.07693	1.0
165.05630	1.0
167.07153	6.3
173.06181	0.7
175.04030	3.8
175.07698	1.4
177.05598	1.3
179.07195	2.0
181.05092	1.5
183.06610	2.9
185.06114	0.6
187.04050	4.5
189.05566	0.9
191.03444	0.8
191.07170	3.2
195.06665	2.7
197.06026	0.7
198.03256	1.1
199.04068	2.6
201.01952	0.8
201.05617	1.2
203.03581	1.5
207.06685	1.8
209.08127	1.2
212.04849	0.7
215.03508	0.8
215.07143	0.6
217.05156	3.0
219.06708	2.0
225.07707	0.7
227.03633	1.0
227.09242	3.2
235.06143	0.8
237.07771	0.7
241.05025	1.3
243.02980	0.9
249.07642	0.9
251.09279	2.5
255.03134	0.8
256.03595	1.2
257.04156	0.7
259.11859	1.7
267.03107	1.0
267.08746	1.0
269.07962	0.7
283.02585	0.9
284.03256	4.4
285.04071	80.7
286.04431	6.5
295.08170	4.6
309.09924	1.8
321.11429	1.0
327.05209	1.0
327.10870	2.1
337.10950	1.1
339.12427	1.1
353.10132	1.5
365.10306	1.9
383.11328	3.1
397.08578	0.6
397.13260	3.7
415.14188	11.6
416.14343	1.7
417.18030	2.0
429.11761	4.2
430.12140	0.9
447.09344	43.6
447.16766	12.9
448.09662	5.1
448.16901	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39222	0.7
52.13853	0.7
55.01868	1.0
57.03463	0.8
59.01384	100.0
60.01720	1.4
69.03462	0.8
69.09240	4.7
71.01388	22.7
72.01701	0.7
72.99335	0.9
73.02967	2.0
80.96504	0.7
81.03484	1.5
83.01414	2.2
85.02951	5.2
87.00894	1.6
89.02456	28.7
91.01897	0.7
92.02587	1.6
93.03483	1.2
94.02995	13.0
95.01409	2.2
95.02798	1.1
95.03340	5.5
96.96024	2.0
97.02937	1.0
99.00896	1.2
101.02451	14.7
108.02178	0.9
109.03004	1.0
111.00901	0.7
113.02464	9.8
119.03526	11.6
119.05039	2.6
121.02995	1.3
123.00882	0.9
123.04585	3.0
125.02512	2.0
131.03537	2.1
134.10779	0.7
135.03149	15.7
135.04243	0.9
135.04649	1.1
137.02463	1.0
143.03534	2.2
149.02519	0.8
149.04616	1.9
151.00316	0.7
152.01222	0.9
153.02011	0.8
153.05702	1.0
159.03053	0.9
161.04572	7.9
161.05896	0.9
166.16507	0.8
167.03529	3.6
179.05635	7.4
181.05156	0.9
197.04587	1.4
225.15079	1.9
251.07260	0.8
311.07880	1.8
387.20276	26.8
388.20959	3.8
403.11133	0.8
416.09930	3.7
447.10675	0.9
447.16357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
55.88835	0.9
59.01387	83.6
68.50841	0.7
69.03467	1.1
69.11405	5.2
69.83105	0.8
71.01390	62.4
71.05017	0.9
72.01729	1.1
72.99326	1.3
73.02956	63.7
75.00872	1.1
81.03463	1.2
83.01401	13.6
85.02954	6.9
87.00877	2.8
89.02457	17.9
93.03485	1.1
95.01410	1.8
97.02969	0.9
99.00926	2.3
99.04562	1.1
101.02461	41.5
102.02789	1.0
109.02985	1.5
111.00795	0.8
113.01734	0.9
113.02464	12.8
117.03490	2.3
119.03508	4.4
119.05046	2.3
125.02480	2.4
127.11297	1.8
131.03511	2.6
133.02985	2.2
135.04535	2.9
139.11319	1.5
143.03506	2.6
149.04559	2.5
149.86824	0.8
151.00462	0.9
151.04060	4.5
153.12883	4.5
155.03523	1.4
161.04584	7.3
178.66130	0.8
181.12427	1.5
188.91069	0.8
189.81812	0.9
199.13408	7.0
205.81601	0.7
207.13902	1.0
211.13416	15.0
212.13779	0.9
213.14973	2.5
221.06775	1.3
225.14987	3.4
231.10445	1.1
251.07625	0.9
253.09184	1.5
284.03217	1.0
285.04083	4.2
315.18073	1.3
368.77936	0.9
387.20288	6.5
405.21301	15.5
406.21609	1.9
429.21310	2.7
447.09119	3.6
447.22357	100.0
448.22693	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	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
50.52640	0.6
54.59982	0.7
55.01882	7.0
57.03452	4.5
59.01384	68.2
59.44560	0.5
60.01707	0.6
69.03458	2.3
69.22297	2.3
69.22706	1.0
71.01387	100.0
72.01717	1.5
72.99323	2.2
73.02953	43.8
75.00871	3.1
81.03441	1.1
83.00927	1.0
83.01399	11.1
85.02956	39.6
86.03294	1.1
87.00873	4.1
89.02451	40.9
95.01392	6.5
97.02965	5.0
99.00893	20.2
99.04523	0.8
101.02452	64.7
102.02822	1.4
111.00899	0.9
113.02459	37.3
114.02804	1.1
115.04041	3.5
119.03527	6.0
122.78736	0.7
125.02464	7.3
129.01970	2.0
131.03529	6.7
143.03508	4.1
147.98466	0.6
149.04573	8.8
159.03009	8.7
161.04572	62.6
162.04973	1.5
179.05658	1.1
191.05655	2.6
193.56732	0.7
211.13434	1.8
233.06674	5.0
293.08746	1.8
315.18143	37.8
316.18460	3.3
447.22394	86.8
448.22815	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.4
57.03446	5.7
58.00607	1.1
59.01384	100.0
60.01721	0.8
62.83121	0.4
66.43010	0.4
69.03465	2.5
69.75974	1.7
71.01387	96.0
72.01731	1.6
72.99303	3.0
73.02953	23.6
75.00871	0.9
79.34209	0.4
81.03474	1.4
82.06610	0.5
83.01392	10.9
85.02959	31.9
86.00125	0.9
87.00888	5.1
87.04525	0.7
89.02452	65.1
90.02772	0.9
95.01395	4.3
97.02960	4.5
99.00884	8.8
101.02452	57.8
102.02822	0.9
107.05074	1.3
109.02977	0.6
111.00891	5.7
113.02459	27.9
115.04011	1.5
119.03507	6.2
125.02461	8.6
126.02837	0.7
129.01965	1.0
131.03514	32.4
132.03860	1.1
135.18980	0.5
137.00655	0.4
138.03880	0.6
141.01968	0.5
143.03514	5.0
149.04564	21.0
150.04887	0.5
158.54776	0.4
159.02992	5.2
161.04570	37.8
162.04913	0.9
173.04546	0.5
179.05579	0.9
191.05615	5.8
211.13417	1.7
215.05682	0.4
219.13870	0.5
233.06680	4.9
237.15053	0.6
271.06027	0.7
284.03336	1.1
285.04092	1.9
293.08749	2.4
297.17093	0.6
315.18127	21.8
316.18430	1.8
356.22372	4.8
363.16272	0.7
386.17963	5.8
404.19098	1.4
447.09320	1.8
447.22369	38.5
448.17871	8.0
448.22974	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.9
58.58032	0.5
59.01384	100.0
60.01713	1.1
60.38663	0.4
61.98834	2.0
65.00336	1.2
65.49455	0.5
67.01890	0.5
69.19924	1.1
69.20332	1.4
70.04238	0.4
71.01391	8.1
73.02952	3.3
78.95922	0.9
83.01425	1.5
85.02959	3.0
87.00896	0.7
87.80752	0.4
88.70004	0.5
89.02448	4.5
93.03490	2.2
94.91000	0.5
95.01414	1.6
99.00895	0.7
101.02447	6.3
104.24667	0.4
108.02222	0.9
110.00135	1.9
111.00905	0.9
112.93827	0.7
113.02461	4.4
113.03082	0.5
113.06120	0.7
115.04050	1.0
117.03481	5.1
119.03538	2.0
119.05016	3.9
121.02992	0.9
121.06621	0.8
121.50504	0.4
123.04533	2.6
123.08198	0.9
125.02498	0.8
127.04060	1.0
135.04532	7.4
136.98816	3.0
137.02480	0.8
137.06114	0.5
139.04079	1.0
143.03549	0.8
144.29736	0.5
151.04037	0.9
153.01987	2.2
159.03169	0.9
159.04587	2.4
161.02492	2.8
161.04564	6.3
163.00496	0.5
163.07741	1.8
165.05617	1.9
165.99184	1.8
167.03540	0.7
170.99915	1.1
172.99561	1.0
175.04054	0.7
177.05666	0.7
178.99989	0.8
179.05666	1.4
179.07224	1.5
181.05064	3.4
182.05574	0.6
183.06702	0.5
187.04053	1.0
189.05684	0.9
189.12956	1.3
191.07272	1.3
203.03543	2.7
207.13896	3.4
213.05693	0.7
225.07712	0.9
225.15067	1.2
227.03481	0.8
233.08279	1.4
235.06110	1.0
237.05603	0.7
239.07220	0.7
255.03087	1.2
257.04398	0.6
267.08850	0.9
283.02658	1.5
284.03287	17.5
284.06329	1.0
285.03967	6.5
285.09845	1.2
297.07761	0.6
309.09952	2.8
310.96964	0.9
327.05176	0.6
327.11072	3.5
353.10614	1.5
382.22794	0.6
387.20306	5.7
397.09637	0.7
429.11896	6.5
430.12637	0.7
447.09241	12.5
447.22836	0.9
448.10001	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01714	1.2
61.01823	0.5
61.98835	12.7
65.99845	0.3
69.53224	0.4
69.53551	1.7
71.01391	6.0
72.99298	0.4
73.02963	1.6
79.95761	0.5
83.01392	0.6
85.02975	2.2
89.02452	3.6
90.65273	0.3
93.03462	0.9
95.01398	0.7
96.96022	0.7
96.99317	0.4
97.03000	0.7
99.00880	0.6
101.02448	3.6
107.05017	0.4
108.02202	0.4
109.03031	0.5
111.00938	0.5
113.02470	2.9
119.03539	1.1
119.05041	0.7
121.02916	0.8
123.04556	0.6
123.08170	1.9
125.02465	0.6
128.05568	0.4
133.02969	0.6
135.04604	0.8
136.98874	0.5
137.02487	0.8
137.09845	0.5
139.00400	0.4
143.04971	0.5
153.05603	0.8
159.03075	0.5
161.02563	0.8
161.04567	3.4
161.05792	0.5
163.11353	1.2
173.06017	0.6
179.05666	1.2
181.05064	1.9
187.03998	0.7
189.12810	2.7
197.04517	2.0
207.13916	4.5
213.68575	0.4
225.15044	1.2
241.08989	0.5
243.06589	0.7
269.04657	0.5
271.02606	1.4
271.06195	2.0
283.02725	0.4
284.03391	0.5
285.04373	0.8
308.41736	0.5
387.20337	2.0
447.14471	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01383	65.7
60.01721	0.9
61.98832	2.0
65.00330	1.0
69.43349	0.3
69.91779	1.1
71.01009	0.7
71.01385	6.0
73.02950	2.1
75.88406	0.3
79.75511	0.3
82.00633	1.0
83.01409	0.7
85.02933	2.5
87.00868	0.5
89.02438	2.5
91.07315	0.3
93.03485	0.7
95.01418	1.0
97.02968	0.4
98.21853	0.4
99.00874	0.5
101.02447	3.3
101.33162	0.4
106.56647	0.3
109.03023	0.4
110.00105	9.0
111.00921	0.4
112.82026	0.4
113.02461	3.4
115.03990	0.3
117.03487	2.5
119.03537	1.0
119.05038	1.2
123.00931	0.5
123.04551	0.5
125.02466	0.4
128.03484	0.4
130.04269	0.5
133.02933	0.7
135.00948	0.5
135.04518	2.0
136.98846	1.5
137.02528	0.4
137.09773	0.3
137.50209	0.3
137.99625	0.9
139.00392	0.4
143.05029	0.4
147.04488	0.3
151.04008	0.6
152.01077	0.5
153.02043	0.5
153.05641	0.4
155.05035	0.6
159.04530	0.9
161.02475	1.4
161.04576	5.2
163.00380	1.2
165.01959	1.6
165.05557	0.6
165.99078	6.8
171.04494	0.4
172.05280	0.5
177.01929	0.6
178.99826	0.4
179.05629	0.7
181.05084	0.8
183.04553	0.7
187.04042	1.4
189.05618	0.6
189.12909	0.8
190.99933	0.4
191.07166	0.5
195.04781	0.4
195.06615	0.4
197.04526	0.7
199.04005	1.1
200.03033	0.6
200.04776	3.5
203.03500	0.7
207.13930	0.4
211.04015	1.6
211.97496	0.4
212.04845	0.6
213.05629	1.1
217.05089	0.4
223.06241	0.4
225.15030	0.6
227.03484	2.7
228.04333	1.2
229.04999	0.6
239.03490	1.9
240.04218	0.5
243.03076	0.4
255.03015	4.0
256.03799	1.9
283.02478	4.4
284.03281	100.0
285.03903	21.4
285.08829	0.4
286.04413	1.1
297.04016	0.6
309.09988	0.8
327.05194	0.9
327.10971	1.2
387.20157	1.5
429.11838	1.8
447.09344	67.3
448.09738	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	447.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
67.45767	1.0
71.01417	1.4
71.05026	1.1
71.41286	1.1
73.02962	1.2
78.95895	1.0
87.04521	100.0
88.04850	2.0
96.96032	2.2
115.04021	52.0
116.04395	1.4
284.03351	1.5
285.04089	2.5
300.89166	1.2
349.20255	2.3
419.24374	1.6
447.08829	2.2
447.88611	1.0
464.57584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41919	0.5
54.37169	0.6
59.01393	1.1
61.98827	0.6
63.82524	0.5
64.44717	0.5
69.35667	2.7
71.01380	1.4
71.05016	0.6
73.02959	1.8
73.55817	0.5
78.95916	3.1
85.88455	0.6
87.04521	100.0
88.04868	1.6
96.95969	0.9
101.06100	0.5
115.04020	50.2
116.04369	1.6
116.92877	1.2
142.87627	1.1
152.99586	3.8
253.66245	0.7
284.03281	0.8
285.03998	1.8
349.20230	1.7
419.24551	1.3
447.23883	1.3
448.17780	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37985	0.9
59.01389	1.3
59.82362	0.9
71.01405	1.1
71.05032	2.2
71.41653	0.8
73.02936	1.7
78.09978	1.0
87.04523	100.0
88.04886	2.0
96.96032	1.3
102.47468	1.0
103.38042	1.1
110.12475	0.9
115.04020	48.7
117.05584	4.4
121.02967	6.9
152.99620	1.9
174.47931	1.0
179.79738	0.8
203.14320	1.7
284.03207	1.3
285.03961	3.1
343.53729	1.0
349.20288	2.8
419.24002	1.3
447.09482	2.3
447.23853	3.0
448.30701	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	447.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11858	1.2
55.90612	1.1
59.01363	2.2
61.88330	1.0
61.98831	3.4
69.70847	1.2
70.35732	3.1
73.02961	1.2
73.09859	1.1
75.17278	1.1
78.95911	4.5
87.04523	100.0
88.04858	1.8
96.95996	7.1
101.06117	1.0
115.04023	30.7
115.92120	1.2
133.02951	2.1
135.04510	2.4
138.57712	1.0
152.99591	4.3
160.84195	1.3
161.02480	6.3
162.83911	1.8
247.02365	2.1
272.04361	1.5
284.03085	3.0
285.03992	4.5
287.58722	1.4
307.01639	2.5
349.20245	3.5
419.24429	1.8
447.09250	2.1
447.23813	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64185	0.5
59.01382	1.7
59.35567	0.5
70.48566	1.3
71.01373	1.7
71.05010	0.9
73.02933	1.6
87.04523	100.0
88.04853	1.8
115.04025	52.9
115.07678	1.1
116.04374	1.6
135.42906	0.6
192.68684	0.6
197.02747	0.6
249.63383	0.5
284.51801	0.6
349.20227	2.1
356.28912	0.7
419.24561	0.9
426.62064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32739	0.4
59.01368	0.5
59.47727	0.3
61.95035	0.3
78.47378	0.4
78.95915	5.7
90.39291	0.4
92.22137	0.4
98.22012	0.6
110.98537	4.3
167.01196	1.7
179.31660	0.4
185.02219	4.3
261.22360	0.4
271.06308	0.5
279.23315	100.0
280.23645	7.4
287.34012	0.5
305.43024	0.4
447.25256	4.6
448.25372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
55.89875	0.3
57.54345	0.2
59.01384	100.0
60.01722	0.8
69.03471	0.9
71.04420	0.4
71.05020	1.3
73.31710	0.3
80.82903	0.2
81.03465	6.1
84.02185	1.8
87.04028	0.2
87.04502	1.2
95.06905	0.3
97.02946	0.4
99.04532	3.9
115.04048	0.5
178.97624	0.3
250.92078	0.3
285.04199	0.4
359.83737	0.3
447.09561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35505	0.5
55.88167	0.4
55.88438	0.5
57.03455	22.0
58.03791	3.2
58.66341	0.5
59.01387	4.0
60.01714	0.7
62.80058	0.5
65.00346	0.8
71.01387	3.3
72.01735	0.5
72.99323	1.0
75.00874	1.6
80.63209	0.5
81.03465	1.6
82.03776	0.5
83.01389	2.2
85.02960	6.4
86.03303	1.5
87.00886	1.1
89.02428	0.7
95.01392	2.1
96.01721	0.7
98.21758	1.0
99.00881	2.4
100.01272	0.6
103.00366	1.2
108.01666	0.5
113.02460	11.6
114.02795	5.0
115.02891	1.1
116.41195	0.5
117.01945	0.6
119.05035	2.7
120.05391	1.5
125.02463	100.0
126.02802	36.9
127.02917	1.8
139.00354	0.6
151.00389	1.2
168.03859	0.5
175.02512	3.4
176.02861	2.0
185.06029	0.6
242.05588	0.6
244.17294	0.6
269.04581	3.2
270.04913	9.8
271.06049	13.4
272.06546	28.5
273.06665	1.8
285.04095	1.4
286.04419	3.2
306.07718	0.6
324.56628	0.6
448.09695	7.1
449.10052	0.8
459.98114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.5
61.98837	100.0
71.01398	10.2
73.02950	2.7
73.80300	2.0
83.01392	3.7
83.82487	2.0
85.02971	2.8
87.00861	2.0
89.02482	3.2
93.03439	2.4
101.02438	5.0
105.05828	2.2
109.02998	2.8
113.02468	5.0
117.03482	4.6
119.05009	4.8
121.06513	2.1
124.04049	5.0
124.07671	2.2
130.93242	1.8
132.02165	1.9
133.02975	4.0
134.03687	2.0
135.04546	19.7
145.27631	2.1
151.55923	1.8
163.03653	1.9
180.32158	1.9
197.42700	2.3
211.13467	18.6
212.13724	7.6
219.11995	2.0
221.06192	2.8
233.08426	2.4
240.02742	2.4
242.01141	2.4
242.10406	1.9
255.86787	2.2
286.04352	4.8
287.22290	2.9
323.05896	5.0
324.05823	2.3
330.81326	2.3
385.12994	3.4
398.06976	2.7
430.09576	6.7
448.09647	2.4
449.14700	3.9
449.27881	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	448.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98486	0.4
54.86276	0.5
65.99850	3.6
68.83268	0.4
68.99817	0.9
69.75584	1.6
78.95908	2.6
80.01422	0.6
93.03482	2.4
94.03054	0.5
95.01376	0.6
96.00923	1.3
97.12429	0.5
98.22570	0.9
108.00966	0.6
109.01696	1.8
110.02493	3.3
120.00914	1.4
121.01723	1.5
122.02515	0.5
123.03298	3.2
130.00566	0.4
134.02505	4.0
135.03291	5.3
136.00441	2.7
137.01175	0.6
138.01987	2.6
145.02980	1.1
149.00142	1.0
151.02765	4.8
155.02209	0.7
160.36736	0.4
165.00694	6.5
166.01460	1.9
173.06050	0.6
175.99857	0.9
177.05629	3.5
192.03032	3.3
197.06242	0.9
200.07237	1.6
210.76506	0.4
226.08725	2.0
228.06699	1.8
242.08257	36.7
243.08568	2.4
252.06656	0.9
268.06186	1.1
269.06870	3.7
270.07739	100.0
271.08093	8.0
280.06226	2.4
296.05734	0.6
374.10391	6.0
375.10782	1.1
448.13907	11.4
449.14270	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	448.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96416	0.9
63.07604	0.3
65.99854	2.5
68.99828	0.4
70.91022	0.4
78.95907	4.4
80.97466	1.0
82.02942	0.6
93.03461	2.6
96.00911	0.9
98.02470	0.5
109.01707	1.8
110.02495	3.4
117.03416	0.7
118.02990	0.4
120.00933	1.6
121.01726	1.2
122.02471	1.0
123.03271	4.1
131.05032	0.3
134.02490	3.9
135.03282	5.1
136.00439	2.9
136.98828	0.4
137.01122	0.7
138.02008	1.7
145.02985	0.8
149.00070	1.4
151.02760	4.4
155.02289	0.8
157.06581	0.6
163.99889	0.9
165.00674	4.8
166.01399	1.7
171.04482	0.6
172.74890	0.4
173.06160	0.5
175.99953	0.9
177.05588	2.9
179.02269	0.5
192.03052	2.6
197.06123	0.7
200.07164	1.1
202.05231	0.5
209.06110	0.4
214.05171	0.5
224.07169	0.6
225.05724	0.6
226.08818	2.0
228.06691	1.3
240.06712	0.8
242.08238	38.2
243.08644	3.0
252.06776	1.4
268.06116	1.3
269.06943	3.9
270.07727	100.0
271.05527	0.7
271.08124	7.4
272.06461	1.0
280.06247	2.7
296.05838	0.6
341.79889	0.4
355.16776	0.7
374.10361	6.1
375.10574	0.8
385.17926	1.0
448.13940	10.6
449.14984	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	448.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30361	0.3
65.99865	0.4
66.37061	0.3
69.13737	2.3
71.66201	0.3
77.52816	0.3
82.03014	0.5
84.19288	0.3
91.17970	0.3
92.36411	0.3
95.01393	0.4
96.00932	0.7
110.02490	3.0
122.02458	1.6
123.03279	4.3
124.00454	0.4
128.13406	0.3
134.02505	4.1
135.03279	5.2
136.00433	2.2
138.01973	2.1
151.02768	5.3
155.02251	1.3
166.01476	1.4
171.08200	0.4
173.06108	0.6
179.02229	0.5
181.06523	0.4
192.03030	2.9
197.06111	0.6
200.07188	1.1
224.07144	1.0
226.08710	1.8
227.07172	0.6
228.06664	1.7
242.08247	40.2
243.08582	3.1
244.06932	0.4
252.06686	0.5
268.06281	0.8
270.07733	100.0
271.08105	6.8
272.06369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79951	0.4
69.24860	2.0
99.89960	0.4
110.02478	3.0
122.02468	0.9
123.03288	4.8
129.44231	0.4
134.02499	4.0
135.03297	5.1
136.00429	2.0
137.31131	0.4
138.01982	2.1
151.02800	3.8
154.90562	0.4
155.02261	1.1
166.01451	1.2
179.02161	0.5
181.06549	0.4
192.03081	2.4
197.06154	0.5
199.07568	0.6
200.07097	0.9
208.70837	0.4
224.07211	0.9
226.08829	2.6
227.07011	0.6
228.06685	1.5
242.08241	38.9
243.08649	2.4
252.06653	0.7
254.05695	0.5
266.07104	0.4
270.07730	100.0
271.08102	8.3
321.13165	0.5
376.65182	0.4
388.89316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07242	0.4
59.01387	7.1
65.00317	0.7
69.53149	1.8
71.01379	0.6
78.52012	0.5
85.02947	1.2
94.02443	0.9
94.02996	9.2
98.21802	0.5
103.47780	0.5
108.02184	100.0
109.02513	3.1
110.00088	0.6
111.00903	0.6
113.02441	1.1
114.02751	0.5
119.91750	0.5
124.01669	1.4
132.31313	0.4
136.98814	0.7
139.04016	0.6
159.31270	0.6
164.98279	1.7
165.98802	0.6
243.06717	1.0
244.07050	2.2
244.09772	17.8
245.10194	1.1
269.04501	1.1
270.05014	3.3
271.06061	4.9
272.06503	6.4
285.07660	1.5
286.08041	4.9
448.13336	2.3
462.91953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83019	1.6
59.01389	27.5
59.71929	1.7
61.98818	6.7
71.01390	49.8
71.02510	10.0
72.00917	26.8
72.15414	1.9
72.99313	7.4
73.02953	3.0
74.02477	3.6
82.06635	5.4
88.04053	39.5
89.02450	3.2
91.05531	4.7
98.01209	3.6
98.21906	5.0
99.04539	1.7
100.07733	2.0
101.02451	3.6
109.58469	1.6
112.07738	1.8
113.02436	3.3
114.01970	3.5
114.09267	4.9
115.00386	73.3
116.05095	4.5
116.92876	2.4
117.03467	4.2
118.06644	6.4
119.05038	2.2
122.06146	2.7
124.07693	3.7
127.08795	4.8
129.10356	27.5
130.08762	4.6
132.02087	3.4
132.03053	67.6
133.03069	2.4
135.04514	7.1
139.08778	5.6
141.10355	11.0
142.08737	5.4
144.03043	3.6
144.55579	1.7
146.06165	24.0
147.04497	2.8
152.07167	4.6
154.08714	2.2
155.08267	32.4
155.62431	1.8
156.08121	2.4
157.09828	8.0
158.06041	2.3
163.08728	3.0
164.07152	8.2
165.09041	2.8
166.07501	2.3
166.09938	2.1
167.08234	5.8
167.10660	1.8
168.06717	20.3
185.09280	8.2
189.06673	7.7
195.10184	3.1
200.07169	6.0
201.06544	2.4
204.23248	1.6
218.08118	2.7
219.13002	2.0
226.11627	1.7
235.10957	2.4
241.13472	2.5
242.11887	5.6
256.14572	5.0
257.13010	2.5
259.14709	3.4
261.08783	6.0
271.14514	3.9
274.15497	3.3
277.15585	2.0
279.09744	2.1
283.10864	5.1
284.03101	3.0
284.14084	3.7
285.03998	13.9
286.04440	25.0
286.15649	4.0
288.17157	10.4
289.15466	3.1
302.15067	6.7
314.15222	11.2
332.16214	66.8
333.14441	60.7
334.11224	1.9
334.14972	4.4
339.87238	1.9
404.18274	15.0
448.09888	10.7
448.17291	100.0
449.17526	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	448.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.7
57.03447	8.9
58.00598	2.3
59.01383	100.0
60.01728	10.7
69.03476	4.1
69.33597	9.3
70.02988	7.8
71.01390	98.8
72.01711	12.4
72.99322	4.1
73.02950	30.8
73.03329	3.4
74.03310	5.7
76.74242	1.8
80.36317	2.2
81.03466	1.9
82.06628	6.2
83.01385	14.9
84.04523	2.7
85.02956	29.7
86.03292	5.9
87.00887	6.3
87.04549	7.9
89.02448	60.3
90.02792	9.2
92.73572	1.9
95.01403	5.9
96.99931	4.8
97.02957	4.9
97.06626	2.1
98.00717	4.9
99.00883	11.6
101.02454	65.5
102.02792	10.1
104.12619	2.1
107.05046	13.4
110.06136	3.5
111.00903	7.0
113.02451	31.4
113.06099	4.0
113.19371	2.1
114.02808	5.0
119.03545	4.0
125.02431	7.1
127.04341	1.7
131.03520	20.8
132.03891	6.2
135.04556	3.9
138.03821	9.4
139.21405	1.7
143.03523	3.0
144.03891	3.2
149.04564	16.2
150.04883	3.9
151.12277	2.1
159.03033	4.6
161.04575	37.3
162.04918	8.9
162.84001	4.6
165.05576	3.3
167.59000	1.9
191.05659	2.1
195.10342	4.3
201.02618	2.1
233.06712	3.3
234.06870	2.6
261.14880	2.5
273.15140	2.4
283.35788	2.0
312.19550	3.2
313.18121	2.3
315.18082	10.2
316.18451	25.2
342.15094	3.3
356.22357	44.0
357.22632	4.5
363.16559	4.2
386.17999	55.5
387.18350	8.1
388.20123	2.4
404.19165	9.7
430.17157	2.7
447.22531	2.6
448.09314	2.8
448.10953	3.7
448.17874	68.6
448.22885	51.3
449.17969	3.4
449.23303	4.3
470.85980	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18424	0.5
59.01379	10.1
61.98835	100.0
69.20516	0.4
69.50032	0.4
70.72946	0.4
70.79911	0.5
71.01389	2.2
73.02951	1.4
76.98030	1.6
79.69224	0.4
85.02990	0.7
89.02464	0.9
99.00895	0.8
101.02470	1.6
112.22495	0.5
113.02477	1.9
119.03519	0.5
125.02472	1.3
135.04527	8.2
135.05492	0.6
151.00346	0.5
161.04639	1.0
167.03481	0.6
203.05676	0.7
251.51071	0.4
259.06250	0.7
264.48914	0.6
281.04172	0.6
285.03839	0.5
286.04550	0.5
287.05722	0.9
371.07547	2.0
413.08499	7.2
449.06683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75653	7.5
53.87396	7.2
59.01387	12.8
61.98843	12.9
62.96415	12.3
68.59599	8.5
69.30034	31.9
69.43500	8.1
78.95908	100.0
80.97486	24.8
117.03419	9.6
117.05598	34.8
123.93642	8.8
133.02991	15.0
149.00107	20.2
152.99591	71.1
153.99944	11.4
351.08810	32.1
355.16949	10.1
376.03323	10.5
385.17899	22.9
448.13904	10.2
449.15030	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	48.6
61.98821	7.0
62.96401	18.5
69.32169	28.5
70.56285	5.8
78.95493	8.4
78.95914	89.6
80.97470	28.9
87.04523	9.7
92.02252	5.8
116.92872	8.2
119.40018	5.7
139.11426	6.6
149.00114	29.3
156.25269	6.2
205.15976	7.9
318.27844	6.4
355.16681	14.2
385.17865	12.8
387.35535	6.6
432.11288	7.2
448.13904	100.0
449.14984	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
63.55122	2.7
66.75839	2.4
72.08337	2.2
74.78643	2.3
78.95913	40.8
87.04507	3.3
93.15001	2.4
96.96968	4.9
113.32223	2.7
121.02938	3.1
129.23749	2.4
130.79457	2.4
131.08943	2.2
142.50806	2.4
149.00114	10.9
150.00385	3.7
158.92615	3.1
179.01289	2.6
351.21872	2.5
402.10150	2.5
448.13779	100.0
449.14209	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	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44009	0.1
59.01373	0.3
69.21713	1.1
80.80363	0.1
81.03450	0.9
87.87049	0.2
90.65403	0.2
91.01913	0.2
93.03477	0.2
95.01442	0.2
97.02893	0.2
108.02187	1.4
109.02955	0.7
110.05182	0.2
111.84265	0.2
119.01398	0.2
121.55869	0.1
125.02463	0.2
136.01672	1.7
137.02457	100.0
138.02800	3.2
151.00339	0.2
152.01184	0.1
162.02299	0.2
167.03537	0.4
184.24959	0.2
195.10097	0.2
199.20621	0.2
201.05617	0.6
256.85248	0.2
311.07751	0.4
351.18610	0.2
375.25195	0.2
449.10126	0.3
449.18771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78976	3.0
57.03455	3.9
59.01388	100.0
61.12581	3.1
61.98846	4.3
63.53308	2.9
68.99833	4.7
71.01392	47.6
73.02948	7.9
79.95741	43.6
83.01404	6.4
85.02962	10.8
89.02457	58.7
93.03470	97.5
94.03811	5.0
95.01423	3.2
96.96014	14.2
97.02991	4.2
98.22676	8.1
101.02460	23.7
111.00870	12.7
113.02444	24.7
119.03507	14.7
125.02466	5.8
135.04523	8.4
135.88548	3.1
137.02490	4.3
141.07187	3.3
157.06599	4.2
159.02881	3.6
161.04588	7.6
167.03535	5.1
169.06575	7.3
171.08147	4.6
179.03488	6.0
189.48912	5.0
196.99918	4.5
197.06062	6.5
199.07558	17.6
201.09076	4.4
213.05568	3.4
215.07150	3.3
225.05612	11.4
227.03505	3.2
234.63127	3.6
236.97942	19.2
243.06682	10.4
273.04214	8.6
285.07791	25.1
292.34720	3.8
299.01932	12.3
300.02588	3.4
314.04321	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	449.1093
Annotation	Fustin 3-glucoside
Peak:m/z	Relative Intensity
59.01388	2.6
59.67541	0.5
60.43037	0.4
62.74850	0.5
65.00321	1.0
67.01880	0.8
68.99834	0.5
69.03466	0.5
69.66029	1.4
69.66363	0.5
71.01388	4.9
72.80016	0.5
73.02953	1.3
73.52219	0.4
79.95740	0.8
81.03463	2.5
82.00573	0.5
83.01382	1.9
85.02956	2.2
91.01890	1.9
92.02678	0.8
93.03465	100.0
94.03806	2.4
95.01389	2.3
95.03516	0.5
96.99323	0.8
97.02956	0.7
101.02442	3.2
107.01397	5.5
108.02197	7.6
109.02974	9.4
110.00092	1.6
111.00880	1.2
113.02441	2.1
119.05060	3.6
121.02947	0.8
123.00870	1.7
123.04532	8.6
124.01719	1.2
125.02436	2.5
136.01648	2.1
137.02455	97.6
137.99535	0.6
138.02791	3.0
138.57832	0.6
139.00398	2.9
142.93330	0.5
151.00397	6.8
151.04015	8.4
152.01163	10.5
153.01950	22.7
154.02315	0.9
165.01857	0.5
165.99055	1.3
166.02721	1.4
166.30070	0.5
166.99892	4.3
167.03503	23.6
168.03833	1.2
173.91267	0.5
181.01416	1.9
181.05121	0.7
195.03064	1.0
209.04544	1.0
285.03848	1.4
286.04532	2.0
287.05655	12.8
296.05359	2.9
297.06168	29.7
298.06485	2.2
311.07748	37.2
312.08075	2.3
349.01196	0.5
434.08395	0.5
449.10876	29.2
450.11337	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Carthamidin 5-glucoside
Peak:m/z	Relative Intensity
54.32137	0.5
59.01390	3.0
65.00339	3.2
67.01927	0.5
68.99834	0.7
71.01376	1.2
77.48855	0.5
79.95741	9.5
81.03471	0.6
81.95317	0.6
82.00620	2.0
83.01402	1.4
93.03470	2.5
95.01395	3.9
96.99341	0.7
99.00893	1.2
109.02979	1.5
110.00106	15.6
110.00857	0.9
111.00916	5.7
119.05040	28.7
120.05365	0.9
123.00890	4.8
124.01693	4.5
135.04572	1.0
136.98822	5.2
137.02464	1.6
137.99622	3.5
139.00391	20.1
140.00758	0.6
141.01971	2.3
145.02888	0.8
149.05777	0.6
151.00417	0.9
152.01178	3.1
153.01953	30.1
154.02324	1.0
164.98317	0.9
165.01910	0.5
165.99094	10.0
166.99875	31.6
173.06117	0.9
178.99959	0.7
180.00670	3.2
181.01437	16.1
181.99460	2.4
182.01859	0.6
185.00885	0.7
187.03993	0.6
189.05563	0.9
190.99913	0.9
193.01411	4.8
201.05534	1.7
213.05479	0.6
221.97379	2.4
222.47527	2.5
222.97363	0.9
225.05754	0.8
229.05037	0.8
230.05946	0.6
241.05034	1.8
243.06636	1.0
245.04550	0.6
253.18712	0.5
259.06149	3.2
269.04568	4.2
284.03336	4.1
285.03973	3.3
286.04843	12.2
287.05630	100.0
288.06042	6.4
299.05399	0.9
329.05273	1.2
364.99725	1.0
381.92065	0.5
449.10883	28.4
450.10974	3.1
452.33020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44009	0.1
59.01373	0.3
69.21713	1.1
80.80363	0.1
81.03450	0.9
87.87049	0.2
90.65403	0.2
91.01913	0.2
93.03477	0.2
95.01442	0.2
97.02893	0.2
108.02187	1.4
109.02955	0.7
110.05182	0.2
111.84265	0.2
119.01398	0.2
121.55869	0.1
125.02463	0.2
136.01672	1.7
137.02457	100.0
138.02800	3.2
151.00339	0.2
152.01184	0.1
162.02299	0.2
167.03537	0.4
184.24959	0.2
195.10097	0.2
199.20621	0.2
201.05617	0.6
256.85248	0.2
311.07751	0.4
351.18610	0.2
375.25195	0.2
449.10126	0.3
449.18771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36708	0.7
57.66077	0.8
59.01381	16.3
65.00330	1.6
71.01381	7.9
71.41991	0.9
71.81755	0.9
73.02955	1.1
81.03465	2.6
83.01409	1.4
85.02956	3.3
87.00883	1.1
89.02465	4.8
91.01906	9.4
93.03435	0.8
95.01385	2.6
101.02444	3.3
107.01397	8.3
108.02196	10.2
109.02955	5.5
111.00904	1.4
113.02466	3.4
113.89109	0.7
119.03487	1.4
119.05041	9.0
122.03777	0.9
123.00894	2.1
123.04536	32.0
125.02460	2.9
135.04544	5.0
136.04863	0.9
137.06084	1.7
150.03232	1.1
151.00383	14.1
151.04080	1.0
152.01180	9.9
153.01968	8.4
166.02707	4.5
167.03510	71.0
168.03830	3.3
181.05132	3.7
194.02238	2.1
194.79219	0.9
195.03003	12.0
209.04567	22.1
210.04872	1.2
239.05659	2.1
239.86096	0.9
255.05078	10.2
269.06598	4.2
285.03979	1.5
286.04291	3.1
287.05569	6.7
449.14590	100.0
450.14828	12.8
466.56183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01390	5.1
60.36806	0.3
61.98835	6.1
63.04858	0.3
68.99815	0.4
69.03466	0.9
69.23850	1.1
71.01389	0.9
73.02950	0.7
83.01410	0.6
83.83129	0.2
84.35488	0.2
85.02944	0.6
89.02457	1.0
93.03505	0.5
97.06640	0.6
99.82259	0.3
101.02488	0.7
102.98602	0.5
105.07114	0.6
107.05070	0.8
109.02969	2.4
109.06609	0.6
111.00907	0.4
111.04509	0.4
111.28593	0.3
113.02401	0.6
113.06099	0.4
117.03491	0.4
121.06594	0.5
121.80038	0.3
123.04547	0.7
123.08154	0.4
125.06123	0.4
133.02919	0.3
134.03784	2.3
135.04544	100.0
136.04874	3.4
137.02426	0.4
137.06117	0.5
145.02991	0.4
149.06088	3.4
149.09766	0.4
151.04028	0.6
151.07626	0.6
153.05594	0.3
159.04497	0.4
161.02466	2.0
165.05614	0.4
165.09238	0.7
167.07149	1.0
173.06107	0.3
175.03940	0.3
175.07562	0.3
177.05569	0.4
179.05644	0.3
187.04112	0.3
193.08640	1.7
195.06683	0.6
203.07227	0.3
207.10173	0.3
209.08217	0.8
211.09804	1.3
219.06671	0.9
237.07709	5.1
245.08238	1.3
251.09407	0.3
269.10391	0.7
311.09363	1.5
311.12738	0.5
355.11966	5.2
356.12500	0.3
373.12961	3.2
374.13638	0.3
387.16602	2.6
399.10956	0.6
405.15491	0.7
417.11929	3.5
431.13385	0.4
449.14603	2.6
449.20456	1.7
450.14911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1498
Annotation	Suvorexant
Peak:m/z	Relative Intensity
50.18098	0.5
56.65416	0.5
58.86746	0.4
59.01386	3.2
62.96419	29.5
71.05035	0.8
71.27367	0.5
71.43267	0.5
78.95913	64.6
80.97477	34.3
103.03985	0.6
117.03509	2.8
117.05620	3.1
119.04968	0.5
134.03766	2.6
143.58334	0.5
149.00108	16.6
151.01653	0.6
179.01186	1.8
179.95076	0.6
197.96202	0.5
205.15973	7.9
206.16357	1.0
215.37706	0.5
217.05096	0.6
242.98331	4.9
275.07019	0.7
285.12579	1.3
352.09525	0.8
355.16812	18.2
356.17126	1.6
385.17892	23.4
386.18329	2.2
405.17029	3.7
449.15048	100.0
450.15485	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1504
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.65593	0.5
59.01393	3.7
62.96417	26.4
73.02939	1.0
78.95913	64.4
80.97476	33.1
83.05025	1.6
85.48288	0.4
87.04526	1.6
96.96007	0.6
101.06096	2.7
106.78979	0.6
112.05298	1.4
113.06095	2.7
115.04024	7.6
115.07675	3.3
116.92855	1.0
122.02524	1.1
149.00108	14.7
179.01195	2.2
205.15981	7.4
207.67174	0.6
242.98311	4.2
283.02539	1.3
285.12601	2.0
311.16833	0.5
329.17569	0.6
351.08630	0.7
355.16803	17.3
356.17297	1.0
381.09775	0.9
385.17883	21.9
386.18167	1.9
434.29691	0.6
449.15024	100.0
450.15421	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54507	2.3
59.01379	33.4
61.98819	7.9
62.77420	2.6
63.42961	2.6
66.12837	2.6
69.75904	3.1
69.89982	5.6
69.90377	4.6
71.01388	4.4
72.00910	10.4
78.95902	28.8
80.96548	2.7
96.96010	6.7
98.21934	4.6
101.02430	2.9
108.97030	2.5
113.02477	5.3
120.95471	3.7
122.01624	4.7
122.02497	80.7
125.00134	2.6
135.04663	2.7
136.04050	32.4
136.94051	4.6
147.04543	44.8
161.04579	2.8
164.03528	6.7
164.07176	100.0
164.08551	5.8
165.07489	4.3
179.07213	3.7
211.00133	11.5
266.00723	12.4
284.01505	25.4
285.01447	2.7
302.02777	8.5
303.33606	2.5
351.13242	2.9
431.08310	13.1
448.99576	2.9
449.14114	3.0
449.21249	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	449.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74477	1.0
56.65172	1.0
59.01383	100.0
60.92638	1.1
61.98823	1.4
69.77274	3.5
69.77663	2.3
71.01379	1.4
71.93085	1.1
77.18426	1.0
78.95915	2.4
96.96017	3.9
111.86475	1.1
149.02451	4.8
164.04790	8.6
164.07179	1.6
179.07138	17.6
223.74794	1.2
227.09206	9.0
235.18567	1.0
266.00726	1.7
270.72473	1.1
284.01288	2.8
311.92511	1.3
420.20654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72395	0.8
51.33246	0.7
57.03453	2.4
58.00570	0.7
59.01385	86.8
63.18392	0.7
69.53648	2.9
71.01386	17.5
72.99305	1.0
77.59696	0.7
77.86154	0.9
83.01383	1.3
85.02969	1.9
87.00884	0.7
87.07542	0.8
89.02450	14.9
93.17838	0.7
95.01381	1.2
97.02996	0.7
97.06577	0.8
98.21841	1.1
98.93604	0.8
99.04528	9.2
101.02463	5.9
109.06559	1.1
113.02454	5.6
119.03510	4.5
135.04558	0.9
142.73038	0.7
158.81018	0.9
161.04573	0.8
165.12823	5.4
175.47585	0.8
179.05583	1.0
189.12910	1.5
191.10913	0.7
207.13953	9.6
209.11855	28.5
210.12183	1.7
225.14973	7.9
251.12889	5.2
269.13965	100.0
270.14319	8.5
270.17169	1.0
287.05676	0.8
287.15067	1.3
424.03256	0.7
435.74371	0.7
449.20300	49.8
450.20801	5.5
471.96338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72395	0.8
51.33246	0.7
57.03453	2.4
58.00570	0.7
59.01385	86.8
63.18392	0.7
69.53648	2.9
71.01386	17.5
72.99305	1.0
77.59696	0.7
77.86154	0.9
83.01383	1.3
85.02969	1.9
87.00884	0.7
87.07542	0.8
89.02450	14.9
93.17838	0.7
95.01381	1.2
97.02996	0.7
97.06577	0.8
98.21841	1.1
98.93604	0.8
99.04528	9.2
101.02463	5.9
109.06559	1.1
113.02454	5.6
119.03510	4.5
135.04558	0.9
142.73038	0.7
158.81018	0.9
161.04573	0.8
165.12823	5.4
175.47585	0.8
179.05583	1.0
189.12910	1.5
191.10913	0.7
207.13953	9.6
209.11855	28.5
210.12183	1.7
225.14973	7.9
251.12889	5.2
269.13965	100.0
270.14319	8.5
270.17169	1.0
287.05676	0.8
287.15067	1.3
424.03256	0.7
435.74371	0.7
449.20300	49.8
450.20801	5.5
471.96338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01384	100.0
60.01714	0.9
61.65408	0.3
69.40514	1.0
69.40920	0.6
73.02948	3.4
76.28436	0.3
78.95914	0.7
82.33291	0.3
85.02953	5.2
87.04527	2.7
92.65707	0.3
97.02966	1.5
97.06622	0.7
107.05064	0.4
108.02197	1.5
109.02957	1.4
115.04061	1.0
119.08659	2.8
125.02491	1.2
135.04559	0.5
145.10266	0.5
152.99600	1.4
163.06296	0.6
163.07658	10.4
164.08005	0.4
173.55643	0.3
178.06462	0.4
184.19046	0.3
215.10857	0.7
229.16042	1.3
243.13965	0.5
245.15527	0.3
255.13875	1.8
262.87357	0.3
271.13385	0.4
273.14978	20.1
274.15390	1.9
283.17157	0.3
311.16449	1.6
329.17627	4.4
330.18060	0.5
364.12012	0.4
389.19727	7.3
390.20200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20401	2.7
57.29376	2.8
59.01385	100.0
73.02959	31.0
78.95911	38.8
79.08540	2.4
96.96017	2.5
125.50009	2.6
152.99599	44.9
163.07748	2.8
255.13857	3.0
273.14960	6.6
311.16498	3.9
329.17548	9.8
449.16928	2.8
449.23050	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	449.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34250	0.7
59.01382	100.0
60.01707	1.4
62.96410	6.3
69.28082	3.6
70.73229	0.6
73.02953	3.6
75.22983	0.7
78.95904	15.9
80.03284	0.7
80.97478	9.6
85.02948	5.1
87.04533	2.2
92.67892	0.7
95.37716	0.8
97.02951	1.1
108.02213	1.6
109.02984	0.7
115.04036	1.1
119.08683	2.5
125.02444	1.0
142.00060	0.8
149.00146	3.6
152.99542	0.9
163.07692	8.3
168.23111	0.7
201.58501	0.6
205.16055	1.7
215.10872	0.8
229.16002	1.5
242.98335	1.3
255.13863	1.3
273.14990	21.4
274.15320	1.1
311.16699	1.3
329.14175	0.8
329.17609	3.0
355.16843	4.5
367.15921	0.7
385.17865	5.4
386.18314	0.9
387.62408	0.7
389.19601	6.6
449.14954	23.3
450.15332	2.1
468.50287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2186
Annotation	Xerophilusin X
Peak:m/z	Relative Intensity
54.49623	6.2
55.96104	6.8
57.03447	6.3
59.01385	100.0
61.98844	6.9
69.77463	26.4
78.95918	21.3
90.88660	7.6
113.02491	23.2
122.02502	28.4
137.18452	6.5
152.99635	35.2
155.03481	8.3
156.89288	6.5
217.00291	8.3
301.18289	9.1
323.68839	6.4
389.19757	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
63.00531	3.8
71.41087	4.4
89.43006	3.7
96.95985	6.3
257.59198	4.3
265.14874	4.8
265.86557	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	450.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98287	5.2
57.05339	5.3
59.01385	100.0
61.98834	29.4
70.62199	5.3
71.01357	10.2
85.02989	6.5
88.97934	5.5
93.03488	6.7
101.02420	7.6
104.49656	6.1
108.07754	5.1
113.02463	6.9
116.91987	5.5
117.03459	14.4
119.05034	12.1
133.02966	30.0
135.04546	34.9
136.04863	10.0
151.04100	6.1
161.02440	6.4
169.49883	5.6
175.04053	5.8
215.00227	15.2
217.56361	5.5
363.70709	6.9
369.09842	45.5
387.10727	43.6
451.06949	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	450.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81675	0.6
78.35350	0.7
81.46886	0.6
93.67356	0.6
107.05014	1.1
110.02493	2.3
119.05046	1.5
122.02538	1.0
123.03272	2.7
131.18210	0.6
134.02554	3.3
134.03658	3.2
135.03294	5.0
135.04532	19.0
136.00400	1.9
136.04871	1.3
137.41643	0.7
138.01947	1.9
142.62013	0.7
145.49805	0.7
147.67258	0.7
151.02805	4.2
166.01454	1.6
176.20618	0.8
192.03029	1.6
200.07307	1.0
224.07195	0.9
224.53172	0.6
226.08815	2.4
242.08246	38.4
243.08566	2.5
270.07736	100.0
271.08127	7.7
283.02533	0.9
298.04800	0.8
387.09500	0.8
450.08340	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	450.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63237	0.9
59.01381	23.0
61.98834	100.0
65.11019	0.9
67.78068	1.0
69.03458	0.8
70.90876	0.9
71.01394	6.9
73.02921	1.4
82.88940	0.9
85.02962	1.7
89.02451	6.6
101.02441	4.0
113.02425	1.9
119.03499	1.6
129.36699	0.9
131.03508	2.9
135.04539	24.8
136.04848	11.4
136.36079	0.9
163.11198	1.8
167.03474	1.5
191.05573	1.7
207.10274	3.0
241.23807	1.0
241.94360	0.9
356.12183	1.7
374.13293	1.2
385.95108	1.0
387.16614	34.3
388.16852	3.2
418.12173	1.1
450.14441	3.2
450.20825	1.1
451.18192	10.1
453.51566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74776	0.3
57.03466	0.9
59.01386	6.6
61.98837	100.0
63.74784	0.3
65.58394	0.4
71.01392	2.7
71.43936	0.3
71.44270	0.4
72.99319	1.4
73.02963	0.9
79.95751	1.1
83.01396	0.6
85.02950	3.1
87.00903	0.6
89.02470	1.1
93.03468	0.7
95.01410	0.9
96.96033	1.8
97.02960	0.4
99.00886	1.0
101.02468	1.7
107.05038	0.4
108.02209	0.8
109.02969	0.8
111.00916	0.4
113.02472	4.9
117.03512	1.0
119.03574	0.6
119.05036	0.5
120.23228	0.3
121.03017	0.4
123.00932	0.5
123.04569	0.5
125.02485	0.9
131.05045	0.8
137.02513	0.5
142.34187	0.4
147.08142	2.0
149.06110	0.4
159.04692	0.4
159.08224	0.5
161.02478	0.4
161.04672	0.5
161.06136	1.8
167.03554	1.2
170.04614	0.4
175.02544	1.1
175.07707	1.2
181.05035	0.4
188.72365	0.4
193.03534	0.4
203.07156	3.0
231.06764	0.6
257.04596	0.5
274.09378	0.4
275.05661	1.5
387.16922	0.5
390.20911	0.6
433.20944	0.4
450.15924	0.4
451.12448	0.6
451.16779	0.5
451.21982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48225	4.2
53.14194	4.2
53.78543	4.3
59.01387	91.9
61.98834	4.6
78.95947	6.4
90.02262	4.1
93.93666	5.5
98.21828	10.3
110.95745	4.5
117.03516	7.2
119.05026	44.5
119.08690	12.4
127.49974	4.8
133.03032	11.3
134.03311	7.9
135.04504	9.8
163.07660	34.4
167.62247	4.5
185.84367	4.7
191.19534	5.3
219.26981	4.8
226.25131	4.3
255.14076	9.7
273.14999	100.0
273.17761	8.7
274.15381	10.3
347.18716	23.3
353.10306	10.2
450.16077	15.5
451.17838	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	451.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52684	2.4
59.01388	21.1
59.10915	2.4
69.21909	14.2
71.01384	7.8
73.02960	6.1
73.03397	2.4
75.00888	3.2
76.19588	2.0
80.36951	2.2
85.02958	8.1
87.00860	2.5
89.02470	8.7
89.29798	2.0
95.01412	2.5
101.02429	4.2
109.02953	11.1
113.02453	6.9
133.02962	26.1
135.04552	5.4
137.02365	2.4
149.04585	2.8
149.06041	3.1
153.01945	5.5
161.02441	3.1
173.06067	6.9
175.04010	2.7
177.01886	4.2
191.07130	4.6
215.00253	7.2
217.05077	8.6
255.10327	3.3
281.08383	2.8
298.04971	4.1
299.09122	3.2
309.07831	10.8
327.08783	41.6
328.09250	4.9
337.07739	4.5
353.10306	3.5
371.11404	100.0
371.18646	4.5
372.11655	13.5
417.30386	2.5
451.13107	3.0
451.21823	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06824	1.1
55.01870	3.9
57.03457	7.1
57.03717	1.4
59.01385	40.6
61.98833	1.3
64.83354	1.0
65.00333	1.3
68.99825	1.8
69.03449	4.7
71.01383	24.0
72.99313	12.7
73.02976	5.6
79.95750	1.3
80.96520	1.4
81.03458	2.2
83.01398	6.9
83.05050	1.3
84.02155	2.3
85.02960	58.7
87.00871	5.4
89.02453	8.6
93.03482	1.4
95.01392	13.7
96.96017	4.4
97.02965	2.8
99.00892	4.4
101.02454	10.2
103.00369	3.7
108.02143	2.7
109.02946	4.0
111.00896	2.5
112.98850	2.2
113.02464	100.0
114.02809	2.4
115.00402	1.9
115.05544	2.2
117.03477	15.8
119.03529	1.3
119.04992	2.3
123.00914	6.8
123.04510	1.9
124.01705	5.8
125.02455	4.0
130.00122	1.0
131.03510	2.8
131.05032	15.5
133.01440	3.7
133.06606	3.5
137.06010	1.2
138.03313	1.9
139.03996	3.4
143.03500	2.1
145.06635	2.9
147.08174	24.4
149.04517	1.1
149.06151	1.4
152.01172	2.0
153.01930	2.5
157.06586	3.8
157.32675	1.2
159.04568	2.8
159.08163	4.0
161.04575	5.0
161.06090	25.5
167.03549	7.0
169.06538	1.5
173.06140	1.6
175.02510	20.0
175.07668	19.1
176.08066	1.3
177.09200	1.4
179.05591	4.3
185.06047	2.5
187.03981	3.0
187.07603	1.6
188.04764	2.3
193.03558	2.7
199.07608	1.3
201.05630	1.6
203.05713	2.0
203.07162	47.6
204.07478	3.2
206.40590	1.2
213.05531	2.3
218.71309	1.1
221.06648	2.8
229.05125	2.2
231.06653	9.8
257.04639	3.3
263.07709	3.1
275.05670	18.3
275.08511	2.2
276.05963	1.3
283.09668	1.5
311.07761	6.8
319.09845	1.3
409.17151	7.4
418.01740	1.2
451.12540	10.9
479.87906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14815	1.0
55.01871	2.0
57.03450	7.1
59.01387	16.9
59.07668	1.2
61.98832	4.7
67.01882	1.1
68.99830	1.3
69.03453	2.1
70.56666	2.0
71.01386	18.8
72.99313	11.9
73.46423	1.0
79.95724	1.5
81.03469	1.5
82.02995	2.1
83.01390	5.0
84.02187	1.5
85.02955	50.2
87.00871	2.3
87.53330	1.3
89.02450	3.9
91.05537	1.2
95.01402	13.1
96.96007	4.9
97.02941	2.2
99.00883	3.1
101.02451	2.1
103.00366	3.8
109.02983	1.7
109.63998	1.1
111.00893	2.3
112.98812	3.1
113.02461	100.0
114.02769	1.9
115.00352	1.9
115.05532	2.9
117.03479	15.9
119.05019	1.2
123.00919	1.5
124.01701	1.4
124.35080	1.0
125.02419	2.5
126.01965	4.0
127.00334	2.1
129.07085	1.8
131.03537	1.4
131.05035	15.6
133.01462	5.5
133.06581	5.1
139.03992	1.9
141.01913	1.2
141.07106	1.6
143.04944	1.8
145.06560	2.1
147.04526	1.3
147.08167	23.6
157.06612	4.0
159.04555	2.6
159.08150	5.2
161.06097	23.3
165.05582	2.2
167.03455	1.8
173.06039	2.5
175.02496	17.1
175.07639	13.8
176.08054	1.3
180.03087	1.1
185.06152	2.8
187.04005	4.3
187.07637	1.9
188.04787	2.8
193.03542	3.2
201.05634	2.9
203.07144	48.2
204.07452	3.0
213.05585	2.8
231.06607	8.3
257.04559	4.0
275.05573	15.4
301.14258	1.0
311.77930	1.2
385.74133	1.1
391.20694	1.2
451.21869	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	451.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21136	1.6
63.02404	36.9
65.00335	3.0
83.01386	32.5
107.01386	3.2
107.05054	2.7
108.02190	2.6
109.02966	1.7
117.03466	30.4
121.85512	1.7
131.05037	1.8
133.02983	6.5
134.03767	21.6
135.04536	28.1
141.03474	7.6
143.04938	1.9
153.07114	7.0
155.05081	1.8
158.03709	10.6
159.04546	25.0
161.02454	31.8
162.02773	2.0
165.07114	33.0
166.07416	2.7
167.05011	7.8
171.04503	13.8
177.05576	19.1
181.06606	6.3
183.04453	3.5
193.06567	19.0
195.04514	25.6
197.02547	2.0
199.07648	7.8
203.03572	3.4
208.05338	2.0
209.06084	15.9
211.04097	6.2
211.07631	18.4
213.05579	3.8
215.03510	4.5
227.07166	5.3
229.05093	26.1
237.05583	100.0
238.05936	8.0
239.03511	10.1
241.08730	6.8
253.05087	35.0
269.08194	6.7
271.06070	19.7
277.08939	1.8
280.06189	1.6
281.04575	68.7
282.04953	4.6
285.07834	7.2
289.09128	2.0
301.08737	2.8
313.07169	90.2
314.07660	8.6
329.08099	4.6
357.07663	4.4
373.07199	4.2
376.07785	1.8
401.06702	9.1
405.10294	2.3
419.07816	9.8
433.09329	24.2
434.09763	2.8
451.10370	7.9
474.22610	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
59.01383	11.8
61.98836	4.6
70.19398	7.5
71.01399	10.1
75.63567	3.0
78.95921	9.4
85.02984	3.2
89.02464	10.2
92.92818	14.7
94.92522	4.8
101.02452	9.2
108.90212	100.0
110.89928	6.4
112.89705	4.1
136.56963	3.4
179.05626	3.6
200.53299	3.1
287.16748	3.2
362.61298	3.3
415.14566	38.7
451.12292	34.1
464.88358	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.8
61.98819	3.3
68.99840	1.0
69.25160	3.7
69.25574	1.5
71.01387	10.2
73.02940	2.3
81.03467	5.3
82.06618	1.1
83.01408	2.5
83.05038	12.9
85.02957	4.4
89.02472	1.1
91.01904	2.9
95.01386	6.7
96.99321	1.5
97.02995	1.2
101.02453	6.6
107.01402	7.1
108.01472	1.4
108.02184	17.3
109.02974	10.4
111.00887	2.4
113.02467	3.4
121.02931	0.9
122.03789	2.2
123.00902	94.2
123.04536	13.0
124.01686	52.3
124.02345	0.6
125.02396	2.9
138.03246	36.5
139.04036	30.2
140.04327	1.1
151.00365	4.8
152.01167	16.9
153.01961	16.1
153.05515	1.2
154.02431	1.0
154.06165	0.9
166.02721	3.3
167.03510	37.5
168.03860	1.7
179.03522	1.1
181.05034	1.5
195.02867	1.2
207.14995	1.3
221.59392	0.8
224.17755	1.7
225.16158	5.2
232.14023	0.9
269.06882	1.2
281.06631	2.3
296.05356	3.9
297.06180	15.0
311.07751	51.2
312.08075	3.3
333.22958	2.3
388.49850	1.0
433.31863	2.2
451.12512	100.0
451.32922	49.0
452.13025	10.2
452.33185	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	451.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30935	0.8
57.03445	1.1
59.01386	5.4
67.01877	1.0
68.99824	1.6
69.17200	4.6
69.52289	0.8
71.01392	15.1
72.99285	1.0
73.02937	3.5
81.03448	2.5
81.96963	0.9
83.01383	4.0
85.02963	6.9
87.00865	1.2
93.03440	2.2
95.01392	3.3
97.02972	1.1
99.00920	1.9
101.02457	5.7
107.01392	2.9
108.02184	60.5
109.02975	46.4
110.00140	1.1
110.03268	1.2
111.00878	3.6
111.80968	0.8
111.81873	0.8
113.02456	5.3
121.02985	9.1
122.00117	1.7
123.00902	14.5
123.04510	2.5
124.01637	2.7
125.02437	3.5
127.00367	4.3
135.04469	1.1
136.98831	4.2
137.02460	13.6
138.03249	17.3
139.00395	5.3
139.04030	10.5
141.01962	2.6
151.04001	1.1
153.01880	1.7
153.05583	9.6
154.02718	2.2
155.03487	4.0
165.01895	0.8
166.02744	1.1
166.99916	4.8
167.03484	3.2
168.00638	3.5
168.61403	0.8
169.01440	1.9
177.01900	1.2
181.01498	6.3
182.02243	16.2
183.03027	19.3
196.03786	2.2
197.04585	29.3
203.06963	0.9
209.04427	1.2
225.04048	1.3
242.30309	1.0
249.44583	1.1
294.19135	1.1
296.05612	1.1
311.04581	1.2
311.07727	6.1
326.06427	4.1
327.07251	12.6
341.08804	51.1
342.09006	3.5
370.09164	1.6
390.14447	1.5
415.15942	2.4
436.10117	4.5
451.12448	100.0
452.12799	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	451.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	90.1
61.98849	81.6
63.15497	12.4
66.95294	13.8
67.96621	11.2
71.01391	38.5
71.41866	16.1
72.99358	11.8
73.84797	11.3
82.95443	100.0
83.27555	16.5
85.02951	25.5
89.02437	22.7
101.02461	24.4
113.02453	23.6
119.03628	16.7
119.05042	15.4
122.05049	12.5
123.04575	39.2
137.02466	18.6
137.07065	12.7
181.05190	12.4
209.04544	13.8
253.48921	13.0
289.07144	35.3
317.17383	15.1
378.69806	15.1
397.69901	14.6
427.17899	13.7
451.12479	31.0
451.21811	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	451.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75679	1.1
53.47866	0.9
55.01883	1.2
57.03453	1.0
58.00632	1.2
59.01385	79.8
60.01733	1.2
61.98835	5.7
62.57169	1.0
65.57990	1.2
66.64233	1.1
69.03437	1.6
70.14193	1.0
70.18114	2.9
71.01392	46.5
72.01716	1.2
72.99317	1.8
73.02954	22.8
75.00879	1.8
76.97992	7.7
78.97720	5.8
79.84970	1.2
83.01398	4.2
85.02960	10.7
87.00881	3.3
89.02459	35.8
95.01434	2.1
99.00896	33.0
101.02460	24.2
113.02469	17.0
119.03477	2.9
125.02473	3.6
131.03542	7.9
133.02927	1.6
135.04556	14.0
136.04889	6.3
137.02455	1.2
137.04961	2.2
139.07661	5.7
149.04587	4.9
157.08694	1.4
161.04594	8.1
163.11298	1.8
171.10313	3.2
191.05682	8.9
203.05637	12.5
215.00214	1.9
281.04373	2.0
283.03979	2.3
319.13895	5.4
335.09836	1.7
369.15244	1.5
371.07504	10.3
373.07321	10.7
409.16669	1.2
413.08618	28.4
414.09082	1.8
415.08401	34.1
416.08627	2.1
451.05981	5.2
451.18137	100.0
452.18350	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	451.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03457	1.2
59.01385	35.9
61.54451	0.5
61.98845	1.4
66.57313	0.5
69.03450	0.8
70.63162	0.6
71.01392	31.7
72.01736	0.6
72.99317	100.0
73.02948	4.8
73.99677	0.7
75.00879	7.2
78.05496	0.5
78.91934	0.6
79.95751	0.6
83.01399	2.8
85.02962	10.2
85.23310	0.5
87.00900	1.5
89.02455	31.3
93.03445	0.8
95.01402	2.2
99.00888	16.1
101.02457	12.3
109.02944	1.0
109.31500	0.5
111.65190	0.6
113.02471	11.0
117.01955	6.8
117.03490	1.0
119.03495	1.8
119.05042	13.3
120.99677	0.9
125.02428	0.8
131.03479	3.0
133.02972	1.1
135.04555	4.0
136.04855	1.5
139.04018	0.9
143.03560	0.9
149.04616	3.5
149.05692	0.6
151.20654	0.5
159.03032	1.0
161.04538	5.2
161.05789	0.7
168.22285	0.5
173.00980	0.7
175.04051	0.6
181.93552	0.5
187.04008	0.8
187.07648	1.0
191.10881	1.2
215.00206	3.4
229.08495	0.5
267.07239	71.1
268.07489	3.7
289.16583	4.5
307.23001	0.6
323.06219	4.6
371.11267	1.3
389.76846	0.6
451.07394	3.0
451.16788	7.5
451.22418	3.0
451.27377	1.3
452.17731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73417	0.4
56.62809	0.4
59.01384	3.3
59.49653	0.4
61.98822	1.9
66.94955	0.4
71.01386	3.3
73.02946	1.9
83.01395	0.9
85.02961	1.6
93.03441	0.8
93.07107	0.5
95.01382	0.6
99.00886	0.5
101.02453	1.5
105.03485	0.8
113.02491	0.8
117.03452	2.3
119.05051	13.0
123.04503	0.6
130.49069	0.4
132.02209	1.9
133.02974	34.8
133.06569	0.5
134.03700	1.2
135.04552	9.3
137.02444	0.6
139.04019	1.2
143.05049	0.7
147.08165	0.9
161.02464	100.0
162.02792	4.3
163.04062	0.4
172.20056	0.4
177.04120	0.8
179.03517	5.5
185.74489	0.4
187.03961	0.6
191.10815	0.6
233.04582	1.1
253.51724	0.5
263.12848	0.4
271.68018	0.5
325.11057	0.9
331.11893	0.9
331.19330	0.7
339.07159	0.6
353.10437	1.8
379.23590	0.6
433.16422	0.8
451.19803	65.4
452.20148	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	451.2131
Annotation	Neocaesalpin R
Peak:m/z	Relative Intensity
57.03439	1.2
57.73284	0.3
59.01377	1.6
63.03960	0.3
71.05019	0.4
77.03958	0.4
78.95911	2.7
89.37479	0.3
103.01500	0.9
116.92881	1.0
118.51915	0.3
119.05058	0.9
121.02969	100.0
122.03309	3.1
135.04529	1.0
140.01202	0.5
141.84377	0.3
142.33368	0.3
154.51485	0.4
196.03745	0.7
197.02837	1.4
198.03473	0.5
243.17502	0.6
255.23314	11.0
257.19107	2.9
301.18143	2.8
311.16928	0.8
325.18420	6.7
326.18842	1.1
329.17630	2.1
366.72501	0.3
414.44138	0.4
423.21811	0.7
451.21350	10.4
452.21555	1.1
452.27942	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	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.6
57.03447	8.2
58.00598	1.7
59.01384	73.2
69.03452	1.2
69.34914	2.4
69.35322	2.2
71.01387	100.0
71.40665	0.8
72.01738	0.9
73.02953	33.1
75.00867	1.7
80.70446	0.8
81.03446	1.5
83.01394	17.4
85.02957	50.6
86.03308	1.2
87.00887	5.3
89.02452	20.6
95.01395	9.4
97.02953	3.9
99.00881	12.1
99.18577	0.8
101.02454	80.4
102.02777	1.9
113.02460	51.6
119.03489	6.9
121.20457	0.9
123.34574	0.8
125.02474	4.9
127.11297	1.7
127.68900	0.9
129.01944	2.6
130.89813	1.1
131.03525	1.8
143.03537	5.6
159.03009	7.6
161.04567	42.9
165.65994	0.8
179.05698	1.5
203.21230	0.8
221.06729	2.2
242.41473	0.8
270.53946	0.8
277.14679	0.8
289.16583	34.6
290.16879	2.7
353.18613	0.8
451.21860	50.3
452.22174	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	451.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.3
61.98835	8.1
68.24905	1.9
71.01402	2.3
71.43139	2.4
85.02963	3.0
98.86819	1.7
107.01349	1.5
112.73287	2.0
117.03506	2.4
119.05045	12.8
121.02910	1.7
130.84734	1.9
132.02133	3.2
133.02966	29.8
135.04564	8.6
141.73935	1.8
161.02460	100.0
162.02872	2.9
175.00330	2.2
179.03552	4.5
190.02779	3.4
205.05049	5.8
237.60934	2.0
286.07327	3.1
331.19174	9.1
332.19556	2.8
367.10391	4.3
451.19806	64.4
452.20154	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	451.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	0.4
59.01384	0.4
69.86595	0.2
74.90629	0.1
75.22479	0.2
80.05066	0.3
81.03465	9.1
82.03795	0.2
82.06647	0.8
83.05034	27.5
84.05367	0.5
85.44255	0.2
100.07694	0.3
101.47482	0.1
107.06203	0.8
108.02206	0.2
108.04572	1.1
109.02995	0.2
123.00861	0.2
125.07221	3.0
126.05655	0.4
143.08282	1.9
207.15057	3.6
208.13435	0.3
208.15338	0.2
224.17694	4.6
225.16089	13.2
226.16339	0.7
242.18814	1.8
250.15613	0.5
268.16617	0.3
289.06281	0.3
290.22464	0.5
307.23849	0.4
309.21921	0.5
324.26486	1.8
333.18954	0.2
333.22958	4.4
334.23520	0.3
339.27594	0.4
351.24127	1.1
367.27176	1.3
385.28171	0.3
433.31897	6.2
434.32480	0.9
437.57181	0.2
451.32932	100.0
452.33255	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	452.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60780	1.4
57.44320	1.2
65.00322	2.3
65.99850	4.2
71.41756	1.2
83.09698	1.4
85.15549	1.1
142.02957	2.3
160.04091	1.6
170.02484	3.7
171.04535	2.0
175.99905	1.6
182.21939	1.2
186.02046	2.1
188.03569	1.5
198.01961	13.0
199.99927	2.4
211.99896	2.1
212.07195	2.8
214.01566	2.3
216.03004	2.5
227.99399	1.8
236.92603	1.2
242.00938	8.3
244.02489	3.0
255.98938	1.7
256.99603	2.8
260.07202	1.6
272.01776	2.9
274.08978	1.6
280.06134	2.0
283.98425	3.9
288.01483	9.4
302.08179	4.0
304.06165	4.8
316.01022	14.1
318.07816	4.3
344.05463	1.9
346.07172	20.0
347.07382	1.6
360.05051	3.5
388.04697	7.3
390.06250	3.1
408.12283	2.6
420.07257	100.0
421.07645	10.0
452.09711	6.0
453.09561	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	452.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20517	1.5
52.77216	1.2
59.01383	8.3
59.59456	1.3
61.98836	11.3
63.13257	1.4
69.14037	9.2
71.01380	5.2
72.99322	1.8
79.95750	1.9
81.03460	2.8
82.02995	3.3
85.02950	3.9
85.87480	1.4
87.00860	1.6
89.02415	1.5
93.03495	1.9
95.01372	1.5
96.95991	1.7
97.04086	2.1
98.22666	2.0
99.00902	2.1
100.04093	1.6
101.02490	2.0
101.41551	1.3
109.02962	14.5
113.02460	6.8
117.03477	1.4
118.73491	1.3
119.05001	3.6
121.03026	2.5
123.04532	4.5
123.74005	1.3
124.03994	2.0
125.02468	2.5
126.02020	1.7
135.00888	1.6
135.04520	1.3
136.04062	1.5
138.01944	1.5
139.20766	1.3
147.04526	6.9
147.08183	2.7
148.04056	1.6
149.02470	5.2
150.03125	1.5
151.04001	5.7
152.03549	5.2
153.01965	2.3
154.01540	1.5
167.03561	1.5
173.02513	2.7
174.03239	2.4
175.04036	14.8
175.07539	1.5
177.01941	3.5
178.01398	1.7
184.08092	1.4
191.03491	1.6
201.01958	17.6
202.05266	1.4
203.07249	2.5
204.07526	2.5
218.04651	6.5
237.09277	7.0
264.10361	1.9
265.08807	3.7
266.09451	6.1
267.10013	1.7
268.63617	1.5
282.11325	2.7
291.06613	9.3
293.08200	2.4
297.12326	1.9
308.09369	6.7
309.10001	12.1
310.10864	3.3
325.12015	9.6
365.15280	7.7
391.13043	5.5
408.15674	100.0
409.15994	11.1
453.13086	6.1
453.18863	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	452.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.5
61.98545	11.8
61.98838	100.0
69.77174	27.5
76.44823	9.3
96.96009	11.3
108.99931	8.8
118.30132	12.2
119.05061	28.9
119.94736	11.5
121.02977	17.3
135.04636	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	452.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35917	0.2
57.03463	0.4
59.01370	0.7
61.98829	0.2
66.03499	0.6
71.01388	0.8
71.40913	0.2
73.02966	1.2
78.03492	1.9
79.64132	0.2
81.03488	0.7
85.02966	0.7
87.92534	0.2
91.37556	0.2
92.05083	0.2
93.23161	0.2
97.02981	0.5
97.06606	2.4
99.00888	0.2
100.01673	1.2
101.02446	0.6
104.05087	0.6
107.05062	0.3
108.02184	2.3
108.04561	1.2
109.02972	6.9
119.05022	0.4
119.08688	1.7
120.04577	0.6
122.02497	100.0
123.02827	2.8
125.02458	1.0
135.04501	1.1
136.04060	29.4
137.04404	0.9
144.04459	0.3
145.06616	0.3
148.04070	0.6
150.05627	12.7
151.05951	0.4
158.06136	0.6
160.04138	0.3
163.07668	6.2
163.08969	0.4
163.11244	0.3
172.07753	0.4
177.05611	0.5
178.05089	2.4
178.06403	3.5
181.56686	0.2
196.11320	0.4
198.09238	0.3
202.05078	0.3
206.09659	0.3
207.06572	0.2
208.07689	0.4
213.04317	0.7
215.10844	0.8
222.09192	0.5
224.10915	1.2
229.15912	1.2
242.08118	0.4
243.13962	2.1
255.13933	1.3
266.42764	0.3
268.09952	1.1
271.13531	0.6
273.15009	7.7
274.15399	0.7
306.18634	0.3
311.16602	1.2
316.17249	0.3
329.17645	7.5
330.17914	0.7
334.18250	1.2
350.17566	0.7
361.45996	0.3
366.20697	1.0
378.17166	4.2
379.17511	0.4
410.20010	0.3
452.20837	9.9
453.21075	1.4
468.86087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98496	0.1
57.03463	0.6
59.01387	0.2
61.98829	0.2
64.91138	0.1
69.64704	0.4
78.03489	1.9
85.02965	0.1
97.06567	0.1
98.21812	0.1
120.04547	0.5
122.02492	100.0
123.02842	2.4
162.84061	0.1
194.33485	0.1
239.18111	0.1
243.17616	0.7
257.19141	2.3
258.19608	0.2
267.17783	0.2
285.18640	0.2
301.18118	0.6
329.17575	1.9
424.21341	0.3
452.20819	10.0
453.21304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2787
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
69.11288	1.5
70.87589	0.2
77.78847	0.3
78.95910	19.4
89.77108	0.2
95.19710	0.2
122.00122	0.8
125.35723	0.3
140.01212	5.1
146.27501	0.2
152.99606	1.8
166.02776	0.4
188.34312	0.3
196.03821	10.1
214.04875	2.2
255.23309	100.0
256.23645	8.2
311.16901	0.4
325.18420	0.5
326.18854	0.7
430.53793	0.3
452.27844	24.7
452.75522	0.3
453.28183	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98837	7.1
69.08622	23.3
71.01400	26.7
73.02947	22.6
75.00854	3.4
77.35893	3.1
78.41001	3.6
83.01395	6.7
83.80141	3.1
85.02969	12.1
89.02445	5.9
99.00922	4.1
101.02455	33.5
102.93990	3.0
111.22150	3.2
113.02472	13.7
114.93452	8.0
125.02518	3.9
128.18182	3.5
135.04526	5.2
161.04568	9.8
216.47185	3.3
235.11922	33.1
248.94241	3.3
280.67004	4.0
284.98914	3.3
323.61261	3.6
367.16122	27.3
409.17157	48.2
410.17441	5.7
453.23593	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	453.1675
Annotation	Kopsinarine
Peak:m/z	Relative Intensity
59.01377	2.9
61.98833	1.2
65.00334	7.5
71.20399	1.3
78.42208	1.2
93.03487	2.1
93.05289	1.2
102.92660	1.2
110.02452	1.9
117.03477	70.8
118.02998	1.5
118.03802	2.7
119.05028	5.8
122.02487	1.5
134.02492	4.8
135.04561	2.6
136.00404	2.7
147.04477	1.4
155.05013	1.7
159.04507	3.6
160.04190	1.4
161.02435	4.5
164.03535	4.3
164.07167	1.5
171.04536	2.1
171.10291	1.6
182.03737	3.6
183.04506	19.4
184.05022	1.4
185.02473	15.3
185.05991	1.7
199.04007	2.0
209.28757	1.3
211.03995	1.9
212.98459	1.3
226.02843	1.4
227.03516	100.0
228.03842	7.9
254.04596	37.8
255.02785	2.5
255.05087	2.6
279.06754	1.5
312.08878	2.6
350.13977	5.5
382.16568	1.6
393.14731	10.0
425.17270	16.9
426.17496	1.9
453.16678	100.0
454.16919	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	453.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74553	1.3
53.03932	1.3
58.68711	1.5
59.01386	100.0
61.98838	2.7
66.35519	1.5
71.01386	33.4
73.02946	3.0
83.01450	2.1
83.43236	1.3
85.02958	9.9
86.32096	1.5
87.00897	1.8
89.02452	52.8
93.03477	1.6
95.01418	1.9
99.00896	3.1
101.02450	21.4
109.02972	1.5
113.02471	14.1
117.03517	2.4
119.03510	11.7
125.02441	1.5
131.03520	34.8
135.04510	4.9
143.03552	3.8
149.04575	18.5
155.10788	5.1
161.04570	5.5
171.10309	4.3
174.28223	1.4
179.05612	14.8
191.05630	13.9
193.84917	1.6
215.00191	8.8
217.10814	6.4
261.13498	7.0
349.17856	1.8
393.18097	7.2
417.12103	1.9
453.09235	2.8
453.20505	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	453.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58117	0.5
53.72124	0.4
58.02982	0.8
59.01385	8.3
61.98836	2.3
69.03435	0.5
71.01400	4.6
73.02946	8.4
81.03465	12.9
82.03795	3.4
82.06610	0.6
83.01396	0.8
83.05035	32.0
84.05360	11.6
85.02961	3.5
85.05463	0.6
87.00893	0.5
89.02446	3.1
95.01427	0.8
99.00883	0.9
101.02436	3.0
103.04025	10.1
107.06162	0.5
108.02201	0.5
108.04565	1.1
113.02457	2.2
114.05647	0.6
117.03492	2.1
125.07186	3.0
126.05591	0.8
126.07574	1.5
133.02988	1.0
135.04565	1.8
143.08247	1.2
149.04596	1.1
161.02550	0.7
161.04593	0.8
177.46765	0.5
207.15076	1.7
208.15355	2.5
209.11798	0.5
209.15443	0.5
215.00192	3.8
224.17688	3.4
225.16092	7.4
225.18106	4.4
226.16397	10.0
226.18336	0.6
227.16730	2.3
231.26025	0.5
242.18790	0.7
243.19330	1.3
261.13492	2.0
280.78445	0.6
284.51495	0.5
291.13367	0.6
307.22021	0.5
308.24014	0.6
309.76703	0.5
310.22116	0.8
311.13229	0.5
311.22009	0.7
312.62775	0.6
325.26923	1.0
326.27255	1.2
333.22919	1.5
334.23441	4.4
335.23535	2.0
351.24460	0.5
352.24319	0.7
355.12009	0.5
355.16397	0.5
368.27603	1.3
383.14716	0.5
393.17889	5.3
411.19144	0.8
416.09738	0.6
417.11987	1.8
434.32108	6.4
435.32648	4.5
452.33258	100.0
453.08884	1.5
453.33517	98.8
454.33694	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40094	0.7
57.03437	0.8
59.01387	18.3
61.98822	2.3
69.03464	1.0
71.01389	8.4
73.02945	3.2
79.95736	0.9
83.01398	1.4
85.02940	4.3
89.02464	4.1
89.95062	0.8
91.04030	0.7
101.02464	5.8
113.02467	3.1
116.92861	1.0
119.03529	1.4
119.05009	1.0
120.36884	0.7
127.11302	1.5
133.02908	1.2
135.04561	6.0
137.09740	3.7
153.09198	1.6
155.10805	37.4
156.11139	1.7
161.04536	1.2
171.10291	31.5
172.10576	1.3
173.11758	1.0
197.43449	0.7
199.09746	6.2
213.11369	0.8
215.00217	8.7
217.10841	39.0
218.11099	1.7
291.14581	3.7
292.14612	0.7
336.59216	0.7
349.18741	1.9
361.15161	0.9
371.11246	0.9
409.06744	1.0
417.12155	1.3
447.52612	0.8
453.19739	100.0
454.20078	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	453.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
58.00581	1.8
58.26009	1.3
59.01083	2.1
59.01383	39.3
61.98832	4.1
69.78291	2.8
69.78625	1.9
71.01382	29.0
73.02955	15.2
75.00890	1.8
78.95911	2.5
83.01383	4.2
84.95124	5.0
85.02955	10.6
87.00882	2.7
89.02460	21.5
95.01408	2.8
97.02921	1.7
99.00880	1.9
99.04450	1.5
101.02471	17.0
103.04013	2.0
113.02457	9.0
119.03526	9.9
125.02434	1.9
127.07704	7.2
128.03551	3.1
131.03540	1.9
133.05098	11.8
135.04546	4.7
139.07640	4.7
143.03484	3.4
146.08409	1.6
149.96718	1.5
151.06105	13.8
153.09230	5.0
157.08720	100.0
158.09039	4.6
161.04576	3.6
167.03513	2.8
171.10248	6.3
175.06178	9.9
178.00255	2.1
179.05591	5.1
181.08725	11.4
199.09743	11.6
205.07140	3.6
211.09924	1.8
217.07082	2.3
295.10382	25.2
296.10669	1.8
312.06006	1.5
313.11401	14.3
333.05972	1.6
371.12726	2.7
373.06589	2.0
417.13858	2.7
453.15195	2.3
453.24045	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	453.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	39.5
61.98847	54.0
69.55766	100.0
76.61261	22.6
76.96668	24.1
78.30696	22.8
119.05046	69.9
135.04535	58.1
163.48984	23.9
197.17513	29.4
237.24788	23.5
347.82751	25.7
392.14841	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	453.3375
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
65.73530	0.2
71.29597	0.4
96.81884	0.3
97.06613	0.4
233.26366	0.3
271.35947	0.3
274.38132	0.3
387.34106	0.3
405.31607	0.3
407.33359	1.5
453.33755	100.0
454.34109	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	453.3381
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.44427	0.8
62.11891	0.7
71.39726	0.9
115.92074	2.3
116.92885	6.0
121.02943	0.9
140.79352	0.9
147.11140	0.9
160.78647	0.8
166.92827	1.0
180.89096	4.4
183.01312	0.8
280.60864	1.0
311.16464	1.1
325.18478	1.0
453.33786	100.0
454.34128	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	454.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50727	1.5
55.01902	2.9
57.97571	19.9
59.01387	23.1
61.98829	6.7
69.48377	6.6
71.01392	9.2
71.05016	9.0
73.02950	5.3
74.02455	2.2
78.95904	2.6
79.01629	1.6
80.05065	5.3
82.02994	8.4
82.95435	3.4
83.01397	11.2
83.05032	10.1
84.95098	1.9
85.02959	4.9
86.02488	4.8
89.02454	2.5
93.03463	3.9
96.04571	15.4
98.02490	48.9
98.06139	13.7
99.00880	4.7
101.02442	6.8
102.98596	3.3
108.03903	2.5
108.04568	23.2
109.02934	2.0
111.01015	1.7
113.02482	4.3
117.03487	9.2
119.05040	7.0
120.01262	8.4
120.99631	4.3
124.04059	27.6
124.04889	3.0
126.05632	24.8
127.00392	10.1
133.02974	3.8
134.03763	1.7
135.04500	4.3
142.03320	6.4
142.05098	4.7
152.02434	2.5
152.03561	30.5
161.02475	5.9
161.04564	1.7
162.01929	2.4
168.03043	22.2
170.04605	22.2
196.02534	97.7
197.02861	2.8
202.01825	62.7
204.99309	5.8
209.64958	1.8
214.03589	21.1
230.01329	41.4
231.01501	2.3
248.02357	100.0
249.02679	5.1
285.04041	2.8
335.05765	1.7
453.61612	2.4
455.14883	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	454.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05391	2.7
51.04190	2.8
52.46199	2.8
59.01365	7.9
65.00309	4.8
65.99834	6.6
69.76900	8.8
74.76688	2.9
85.02946	3.8
96.00894	3.1
107.96512	3.4
118.03002	3.9
120.00951	5.7
125.99598	7.2
133.88739	2.8
134.02545	4.4
136.00443	22.7
138.63702	3.4
141.01920	3.0
142.03000	4.1
146.02481	25.4
156.81390	3.3
158.02431	4.8
162.01950	8.5
163.02724	3.1
163.99976	19.1
164.03500	4.6
165.01936	3.7
171.04549	8.1
174.01956	10.6
175.99866	8.2
176.03476	3.2
185.00935	22.0
186.01982	7.1
190.01431	23.2
190.26495	2.7
190.98579	4.9
191.02194	11.4
202.01523	6.6
203.02185	6.1
218.00951	38.5
240.06676	3.6
242.08179	10.1
244.02492	4.9
248.07321	3.6
252.06573	7.9
265.05682	2.9
266.08224	5.8
268.06161	67.5
269.06598	3.9
270.07742	31.1
278.08234	13.7
280.06161	13.6
290.08215	12.8
294.07816	21.2
295.04996	4.2
296.05621	11.0
304.06299	5.0
306.07681	20.4
310.10883	14.0
322.07224	100.0
323.07559	9.4
334.07269	16.1
350.06787	4.9
354.09949	19.5
366.09750	7.7
382.09393	68.3
383.09390	4.9
392.07611	7.4
410.08698	7.4
454.12997	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	454.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47558	0.4
59.01387	1.1
60.73380	0.4
63.02399	0.9
64.01925	2.8
65.00323	4.8
65.99851	26.9
68.99817	1.2
69.14505	2.7
83.01380	2.2
88.01920	1.2
89.99848	1.3
93.57274	0.5
95.01405	0.8
98.22652	0.7
101.03968	0.6
106.02953	0.6
107.01395	3.9
108.00931	3.4
117.03389	0.5
117.72701	0.4
120.00933	2.1
121.01687	0.5
132.00919	0.8
133.01714	1.6
134.02516	0.6
136.00407	1.0
141.07063	1.0
142.06598	0.9
143.05034	1.2
145.06592	2.1
148.00432	1.0
149.01228	1.1
150.02040	0.6
151.00385	8.1
155.50163	0.5
158.06119	1.0
161.01161	0.6
163.00420	1.3
165.00638	0.6
166.06584	0.9
167.05067	0.6
169.06584	2.3
170.06131	3.9
171.04536	7.1
172.05061	0.7
175.99905	23.2
177.00587	1.8
177.01962	1.2
178.01505	0.5
185.06067	0.8
187.07767	0.6
189.00694	1.5
189.99222	0.5
191.02315	1.0
192.08177	1.0
194.06114	2.8
196.07727	1.3
198.05467	2.1
202.01495	1.2
207.06895	0.9
208.07715	1.7
209.04718	0.6
210.05623	1.4
211.07684	2.8
212.07176	3.1
213.05629	4.3
218.00807	0.5
218.06168	0.5
220.07713	1.3
222.05595	3.6
223.06140	0.9
224.07010	0.5
225.05544	0.5
234.05411	0.8
236.07213	2.1
238.05107	3.9
238.08687	0.9
239.05504	0.7
240.06674	3.5
251.05875	1.8
252.06625	1.7
255.06651	30.6
256.06921	2.3
262.05209	1.5
262.08795	0.5
263.05835	0.6
264.06754	2.9
267.06512	0.5
268.06256	1.3
278.04492	0.7
279.05450	0.6
280.06165	25.1
281.06509	1.8
295.06021	0.8
298.12314	0.6
304.06113	0.5
306.07761	0.6
307.04849	2.6
308.05682	7.7
308.09131	0.5
309.05911	0.6
322.06985	0.6
326.12030	0.5
332.05481	0.7
350.06772	0.6
368.13025	0.6
370.11069	2.2
384.12396	0.7
394.11035	0.7
411.11322	1.3
412.11926	76.6
413.12222	8.7
436.12326	1.0
454.12994	100.0
455.13364	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	454.1517
Annotation	Sch 38519
Peak:m/z	Relative Intensity
59.01389	4.5
61.47393	0.7
63.17251	0.7
65.34371	0.7
65.83186	0.6
71.01385	1.8
71.05032	3.9
73.02948	1.5
76.98309	0.8
78.95930	0.9
86.02498	1.8
89.02481	0.8
100.07708	1.7
101.02454	1.6
117.03488	75.2
118.03806	2.3
119.05032	2.5
128.07190	6.6
130.08786	1.2
134.03784	0.9
135.04524	1.2
143.83025	0.7
151.04053	1.0
158.08250	8.9
175.04013	5.7
188.41405	0.9
195.02939	1.5
208.05269	1.4
217.08742	1.0
219.04523	0.9
235.03984	3.6
236.04802	1.1
237.05591	30.4
238.05780	1.7
241.71889	0.7
251.07201	2.7
267.06540	0.7
295.06158	59.6
296.06573	4.0
359.15475	0.8
454.15121	100.0
455.15485	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	454.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
61.98820	14.0
62.10963	6.5
62.16901	6.3
64.91000	6.7
69.06364	36.7
71.01390	56.2
73.02946	24.1
82.95431	22.1
83.01400	9.9
84.95156	6.6
85.02941	18.9
86.03349	5.9
86.29037	5.5
87.00862	7.4
89.02436	8.5
99.34140	6.4
101.02448	32.2
109.02914	9.7
113.02454	20.9
115.24036	5.7
117.03457	8.0
119.05029	22.2
120.05493	7.1
127.05167	10.3
135.04529	24.6
137.02437	18.7
161.04573	11.6
181.01404	10.5
182.02203	6.6
197.04523	18.6
207.13963	7.5
227.12802	7.6
291.18036	9.3
292.18381	7.9
341.08759	16.8
419.07571	7.8
454.23688	13.3
455.05188	39.1
455.27545	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	454.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
61.98820	14.0
62.10963	6.5
62.16901	6.3
64.91000	6.7
69.06364	36.7
71.01390	56.2
73.02946	24.1
82.95431	22.1
83.01400	9.9
84.95156	6.6
85.02941	18.9
86.03349	5.9
86.29037	5.5
87.00862	7.4
89.02436	8.5
99.34140	6.4
101.02448	32.2
109.02914	9.7
113.02454	20.9
115.24036	5.7
117.03457	8.0
119.05029	22.2
120.05493	7.1
127.05167	10.3
135.04529	24.6
137.02437	18.7
161.04573	11.6
181.01404	10.5
182.02203	6.6
197.04523	18.6
207.13963	7.5
227.12802	7.6
291.18036	9.3
292.18381	7.9
341.08759	16.8
419.07571	7.8
454.23688	13.3
455.05188	39.1
455.27545	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	454.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98837	100.0
63.19361	0.6
68.99390	0.6
69.15203	3.8
71.01419	0.8
105.70261	0.6
119.05048	2.0
119.33753	0.6
122.02529	1.7
128.90631	0.5
136.52159	0.6
178.01631	0.9
290.02902	0.7
293.21332	0.8
298.07303	1.2
304.86359	0.6
455.26266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.0
61.98840	3.5
69.03465	0.7
69.45487	1.2
69.45885	2.3
71.01388	2.6
73.02958	0.8
76.53020	0.6
83.01349	0.6
84.93871	0.8
85.02950	1.3
87.00925	1.0
89.02447	1.3
93.03465	1.2
96.96030	1.4
96.96988	0.9
97.91483	0.6
98.21957	1.4
99.00919	0.7
99.18023	0.6
99.92590	10.7
100.93382	9.0
101.02425	1.0
111.00880	0.8
113.02473	1.0
115.82556	0.6
115.92092	16.0
116.92876	100.0
117.03481	3.0
117.92905	5.3
119.03587	0.6
119.05099	1.4
120.63585	0.6
125.02426	0.8
130.08788	1.2
133.02945	1.2
135.04533	2.7
137.02527	1.2
140.61578	0.7
140.92838	1.2
141.93680	1.0
142.94438	0.8
161.02469	0.7
161.04533	0.6
166.79126	0.7
174.71289	0.6
175.04024	0.7
184.91846	1.4
187.04094	0.9
333.00781	0.7
340.22299	0.9
351.01797	3.3
369.02863	3.6
393.02945	2.0
411.03879	2.5
411.16397	1.0
419.00882	1.6
455.02954	6.3
455.15387	1.1
455.25305	1.0
456.03506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85176	1.2
62.99063	1.0
64.97741	1.0
65.00312	1.6
67.01890	1.1
68.99827	1.4
71.01366	1.2
87.00879	1.9
89.03983	2.6
93.03457	2.8
95.01396	5.3
98.22639	2.6
104.02715	3.7
108.02165	2.5
109.02985	3.3
111.00911	2.1
117.03467	4.9
119.05043	12.1
124.01683	3.8
131.05040	1.4
132.02176	2.7
133.02974	5.1
136.98793	2.4
137.02490	7.6
143.04956	1.2
145.03012	2.7
145.06726	1.3
147.04514	3.2
148.01680	20.1
157.06592	1.7
159.00858	1.9
160.01765	1.3
161.02454	6.4
163.00356	3.6
163.03955	1.6
164.01157	4.6
169.06619	1.6
171.04532	3.0
174.03154	2.7
176.01163	27.8
177.01942	12.1
187.00377	2.2
189.01907	2.7
190.02699	3.7
192.00659	9.2
195.08142	3.6
199.07645	2.6
201.01953	1.6
202.99857	5.3
204.00685	5.8
206.07414	1.4
207.07999	1.3
208.05759	1.2
213.05594	2.9
214.02794	1.5
215.74666	1.2
217.01401	20.2
218.02182	12.0
219.08115	2.1
221.06198	2.6
221.09712	3.7
222.06844	2.2
223.07634	8.3
225.05513	2.5
233.06201	1.6
237.05588	3.2
237.09225	4.4
239.07138	6.7
241.05057	3.1
241.08704	3.1
247.07632	8.6
249.05507	1.9
250.06531	2.3
261.05487	2.2
262.06378	1.5
263.07074	9.1
265.05289	2.0
265.08685	26.2
266.08908	1.7
267.06635	3.7
269.04596	2.1
279.06586	1.5
280.07324	3.2
281.08179	12.1
282.08646	1.4
289.04944	2.3
291.06622	17.5
292.07025	2.2
305.08142	3.2
307.06161	5.5
308.06897	14.2
309.07712	100.0
310.05258	1.1
310.08145	9.7
351.09869	1.4
369.11279	4.2
393.11380	10.7
411.12317	4.6
437.10349	2.2
455.11432	24.4
455.21661	1.9
456.11621	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	455.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40795	8.6
54.45388	8.0
55.08300	7.5
59.01391	100.0
66.26752	10.7
69.36028	32.4
71.01389	45.8
72.10121	8.2
85.02962	10.0
89.02444	87.1
101.02423	18.0
113.02428	20.8
119.05035	14.4
121.02918	11.7
131.03516	14.7
135.04544	15.9
141.01953	14.5
145.16757	8.6
149.04533	17.2
161.04553	9.1
221.24934	8.9
291.07236	14.7
455.17203	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	455.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98106	1.1
59.01383	27.4
61.98833	4.1
66.03475	1.8
67.05097	1.6
70.02990	3.1
71.01399	6.3
72.00912	1.4
72.99301	2.3
73.02937	3.4
78.95910	26.6
79.95737	1.4
81.02224	2.4
81.03458	2.6
82.02985	4.5
82.06631	4.3
83.01392	3.1
85.02953	3.3
87.00909	2.3
87.05643	4.4
89.02443	1.8
93.03477	2.1
95.02560	1.6
95.05024	3.6
96.00908	4.1
96.04569	1.4
96.17525	1.2
96.96030	1.8
96.96967	5.3
97.04093	1.5
98.02489	1.7
98.06134	3.0
99.00882	2.5
99.92621	1.9
101.02477	3.1
108.02219	1.2
108.04545	1.5
109.01669	3.5
109.02984	2.5
111.00881	2.3
112.07719	1.2
113.02451	3.1
113.03590	8.6
113.07195	4.0
114.01994	6.3
114.05608	14.9
115.05132	2.3
116.92866	9.8
117.03448	4.1
119.05061	2.0
122.09788	2.1
123.05605	1.4
125.02427	3.9
129.10265	1.3
130.08752	36.5
131.04646	8.1
133.03018	1.5
135.04543	4.6
137.06099	2.7
139.04138	1.4
140.07205	5.9
140.10837	1.9
145.06215	1.5
152.03461	1.6
152.05861	1.6
152.99599	2.1
153.03908	1.4
153.10321	2.5
155.08273	2.5
155.11934	6.7
161.02438	1.9
165.10361	3.1
166.08746	24.8
166.12421	2.2
167.03462	7.3
175.03989	2.3
176.93277	1.1
181.13483	7.0
183.11389	5.2
183.15038	32.4
184.15417	2.7
189.97250	1.3
209.04552	20.9
209.13142	23.3
210.04837	2.7
210.07648	3.3
219.04765	1.3
227.10373	3.0
227.14034	92.3
228.14375	5.3
296.23178	1.5
340.22446	14.3
357.08908	8.4
376.22394	1.5
394.23868	1.9
417.12009	1.7
420.21426	27.7
421.21896	2.1
437.24072	12.8
438.22470	24.8
439.22556	3.4
455.15942	8.0
455.25122	100.0
456.25339	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	455.2652
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
52.80114	0.8
57.03441	2.3
57.06158	0.8
57.79182	0.7
59.01386	50.2
71.01387	23.4
72.99297	1.0
73.02965	1.8
83.01408	1.4
85.02971	8.2
85.87392	0.8
87.00945	1.1
88.98798	5.0
89.02454	19.6
93.51183	0.7
95.01409	2.1
96.43008	0.8
101.02448	13.5
113.02478	7.5
113.09742	0.9
119.03547	7.6
119.05040	3.4
121.02924	0.9
130.98065	0.8
139.00323	0.8
151.00409	1.2
165.37958	0.8
172.91034	0.9
178.99887	2.5
193.08443	3.1
212.31586	0.9
223.13412	2.1
264.09793	1.6
275.20142	4.7
277.21802	1.9
293.21265	24.3
294.21619	1.3
299.05588	3.5
437.25803	0.8
455.16660	2.5
455.26544	100.0
456.26938	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	455.3536
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.81063	0.3
52.40257	0.4
60.40124	0.3
71.31497	0.4
84.07777	0.3
84.54485	0.3
108.75716	0.3
150.00551	0.3
239.92233	0.3
344.18393	0.3
407.33237	0.4
455.35339	100.0
456.35660	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	455.3536
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
57.69319	0.3
70.89087	0.4
87.76933	0.3
96.12697	0.3
129.14214	0.3
183.78749	0.3
299.95624	0.3
397.22690	0.3
407.33212	0.6
455.35339	100.0
456.35678	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	456.094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63716	0.6
60.29063	0.5
60.49056	0.5
64.01921	1.8
65.00319	1.3
65.99850	21.6
67.55924	0.6
68.99812	1.0
69.58760	2.3
88.01953	1.0
89.99869	0.8
94.59600	0.5
96.00858	0.8
99.00885	1.0
108.00945	3.4
109.22015	0.5
110.00083	1.2
116.05096	0.8
120.00904	1.6
129.35999	0.6
131.84227	0.6
132.00885	1.6
133.01660	1.5
136.00423	4.6
143.05019	0.5
143.87764	0.6
145.06630	0.9
148.00438	1.6
149.01112	0.6
160.00392	1.7
161.01176	0.7
163.99910	3.3
165.99023	1.3
169.06673	1.2
171.04544	3.0
175.99898	32.7
176.96205	0.6
177.00443	1.3
184.07693	0.7
187.99930	1.3
189.00708	1.8
190.98564	1.6
191.99345	0.6
192.08269	0.6
194.06073	0.8
203.99376	4.0
208.07716	1.7
213.05637	1.0
215.99399	1.5
220.07677	1.8
224.07228	0.6
225.05785	0.7
226.05096	0.7
232.07632	0.9
233.00644	0.6
236.07355	1.3
238.05086	2.6
240.06682	0.8
241.05019	0.8
248.07242	1.8
252.06671	2.5
255.06625	2.9
259.98239	0.7
264.06686	1.4
268.06149	9.2
269.04529	1.9
269.06943	0.9
270.05179	0.8
270.07965	0.6
276.06720	2.6
278.04800	1.0
280.06161	100.0
281.06476	7.9
292.06119	1.2
294.07693	0.8
295.05011	1.0
296.05716	3.2
308.05600	7.9
320.05606	4.1
336.04907	1.5
338.11716	1.1
352.08365	2.7
364.04678	3.2
368.07666	2.3
380.07751	1.6
380.12851	10.7
381.13229	1.3
392.04147	68.4
393.04532	6.7
396.07217	2.5
397.06876	0.6
397.11523	1.4
424.06851	9.4
424.11981	1.4
425.06998	1.0
428.10245	3.8
429.10031	0.7
456.09070	2.8
456.15198	1.3
457.12839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01920	2.4
65.00324	4.2
65.99863	12.4
68.99799	2.5
70.10805	1.6
83.51337	1.7
96.00912	6.6
108.00906	2.4
120.00914	17.8
126.87282	1.6
131.04974	6.4
136.00441	18.6
148.00392	2.3
149.01173	3.0
158.06062	3.3
163.99940	20.1
165.00616	6.6
171.04503	7.1
173.06163	2.0
175.99863	6.2
177.00609	5.6
180.08145	1.9
185.06033	2.7
186.05605	11.8
187.07594	6.4
189.00671	2.1
190.01495	2.6
191.99423	17.9
200.07130	2.1
205.00131	3.8
212.07130	2.8
214.05064	4.3
218.00954	13.2
224.07166	2.4
225.05690	2.0
226.05164	9.1
228.06535	6.3
236.07066	1.7
240.06648	12.8
241.07071	2.2
242.08115	3.6
243.06682	2.0
252.06558	5.1
253.05013	2.5
254.04538	7.9
268.06204	53.5
269.04376	5.6
269.07034	8.9
270.05084	2.2
270.07626	7.9
280.06177	15.4
281.03256	1.8
296.05670	100.0
297.05905	7.7
308.05539	3.2
308.09033	3.2
342.45956	2.0
358.10663	3.5
384.12289	7.3
394.10742	2.7
400.12039	18.9
412.12051	12.4
413.12326	3.8
414.12509	3.2
428.11450	68.0
429.11899	9.8
456.10678	69.0
457.10922	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	456.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01933	5.2
65.00304	4.5
65.99848	66.1
85.11755	4.1
108.00937	7.1
133.01804	4.7
136.00391	9.6
149.01097	4.4
163.99901	12.0
171.04507	10.6
175.99899	36.9
177.00682	3.8
187.07654	6.2
189.00620	4.9
200.75887	4.1
205.04074	4.4
209.14040	3.7
213.05583	5.6
217.10890	4.0
218.00977	8.0
238.05147	4.6
240.06523	7.3
246.00484	9.1
255.06622	6.0
264.06879	5.2
268.06140	19.2
280.06161	70.6
281.06616	6.8
296.05713	15.8
308.05832	6.6
350.06647	15.4
384.12637	7.7
412.11960	100.0
413.12302	12.2
428.11264	12.8
456.11105	15.1
457.46863	4.1
460.75049	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	456.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63896	1.1
61.98852	1.1
68.99815	2.9
72.01261	1.1
73.02959	3.5
84.31612	1.2
85.70589	1.1
97.66792	1.1
107.40467	1.2
108.61203	1.1
121.19731	1.2
139.42160	1.1
168.08214	1.2
171.04514	5.9
184.07713	4.9
192.08177	3.2
204.08238	4.7
208.07591	6.1
210.05626	1.4
220.07669	20.5
228.06638	2.3
232.07718	11.1
233.08356	3.8
248.07170	17.9
249.07799	2.4
250.08606	1.7
252.06783	3.8
276.06641	15.7
278.04651	2.1
289.07492	4.2
294.07724	3.0
302.08197	2.4
310.12424	3.5
338.11859	13.0
352.13516	5.5
362.12009	1.2
380.12955	100.0
381.13162	10.1
382.10974	4.0
424.11984	12.6
425.11356	1.9
456.14609	17.3
457.14935	1.7
479.51813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42790	0.5
65.00328	1.2
65.99844	0.8
68.99818	1.3
70.84991	0.7
72.44790	0.5
80.91662	0.6
81.84438	0.6
84.79428	0.6
89.35012	0.6
93.03468	1.7
94.03008	0.8
96.04556	2.6
98.02502	0.7
117.03466	2.4
118.89595	0.5
119.05038	29.2
120.00868	0.8
120.04548	3.0
120.05312	1.0
122.00069	0.8
122.02467	1.5
128.65846	0.5
132.04581	1.4
134.03853	0.6
135.03294	1.2
138.05640	5.0
140.03499	0.8
143.04950	0.8
144.04593	3.3
145.02977	12.9
146.02483	2.2
146.06174	0.7
148.04031	0.9
160.04079	2.9
161.04761	1.0
161.06067	6.9
162.05634	1.8
163.00319	0.6
164.03564	4.0
167.82983	0.7
168.70747	0.6
169.06593	1.2
171.04533	4.7
172.04005	0.7
175.37007	0.5
176.01149	1.6
176.03497	0.7
177.01904	0.7
178.05086	2.2
179.07408	1.0
188.03551	3.1
189.04012	0.7
190.01427	2.3
201.04372	0.9
204.03024	0.6
206.04619	3.1
214.05061	1.2
218.78716	0.6
222.05472	0.8
222.09123	1.1
223.06395	1.3
225.05630	0.9
226.06375	1.2
226.08659	1.0
232.06151	4.1
240.06819	0.7
240.10342	2.3
241.08711	0.9
242.08266	4.6
250.08713	2.7
251.59358	0.6
252.06677	2.4
253.05058	1.2
254.05899	2.0
258.04044	1.2
264.10352	1.4
266.11951	1.3
268.06332	0.7
268.09879	2.5
270.07739	3.6
282.11368	5.5
292.09802	10.6
294.07755	7.2
295.08185	0.7
309.07574	0.8
310.10870	73.8
311.11145	5.7
336.09152	1.2
362.10422	5.4
363.10696	0.9
456.14563	100.0
457.14868	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	456.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30708	0.5
63.32884	0.4
65.00304	1.3
68.99796	0.8
69.36983	1.8
71.65768	0.5
83.01382	0.6
89.46934	0.5
92.05075	0.7
93.03446	1.8
96.04578	2.3
98.02486	0.6
106.67931	0.4
108.04542	0.9
109.02944	0.4
116.05105	0.5
117.03488	2.1
117.33521	0.5
119.05036	28.6
120.00970	0.5
120.04537	3.6
120.05350	1.1
122.00108	0.8
122.02451	1.5
123.03276	0.7
123.53688	0.4
132.04558	1.4
134.02504	0.8
134.03708	0.5
135.03265	0.6
136.00403	0.6
137.02437	0.6
138.05630	3.9
140.03523	1.3
140.20256	0.5
143.05005	0.8
144.04634	2.2
145.02962	10.9
145.06595	0.5
146.02426	1.4
146.03423	0.5
146.06125	0.5
148.04047	0.5
150.05611	0.9
151.02739	0.6
160.04071	3.3
161.04797	0.7
161.06079	5.6
162.05618	1.5
164.03555	3.7
169.06566	1.5
171.04504	4.9
172.04030	0.6
174.05470	0.5
176.01132	1.1
177.01857	1.1
178.05101	2.3
182.20135	0.4
185.06024	0.7
188.03517	3.9
190.01471	3.2
197.06082	0.5
201.22800	0.5
204.36577	0.5
206.04550	2.9
214.05196	0.7
222.09109	0.8
223.06433	1.9
224.07024	0.8
225.05519	1.3
226.06418	0.9
226.08624	0.8
232.06123	3.8
240.06659	0.9
240.10281	1.2
241.08762	0.8
242.08211	4.1
248.10835	0.9
250.08720	2.7
252.06604	2.5
253.04970	1.1
254.05807	1.9
254.11818	0.7
258.04010	1.0
264.10239	1.1
266.08154	0.7
266.11835	1.5
267.05389	0.5
268.06537	0.5
268.09802	2.5
269.04526	0.5
269.07913	0.7
270.07755	3.8
272.38544	0.5
282.11411	4.8
292.09830	10.8
293.10202	0.8
294.07733	8.8
295.08142	0.7
309.07697	0.5
310.10861	73.2
311.11249	5.5
336.08817	1.1
362.10410	5.0
408.52173	0.5
456.14581	100.0
457.14871	14.8
457.21481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34378	0.4
56.48296	0.5
59.01372	2.4
60.52633	0.5
61.98834	1.2
64.59734	0.5
69.40192	2.2
82.42270	0.6
84.04558	4.1
85.02975	1.1
93.03466	31.3
94.03827	0.8
96.96006	0.6
109.02958	1.2
111.59602	0.5
114.05618	21.2
115.04013	1.3
115.05981	0.6
117.03478	39.3
118.03828	2.1
119.05006	0.8
119.74052	0.6
128.10831	2.0
133.02980	0.9
135.04529	9.1
138.09302	1.0
151.04028	1.0
156.10303	2.7
158.30360	0.5
161.02458	100.0
162.02803	3.6
168.86380	0.5
173.47974	0.6
174.05661	0.9
182.08284	1.0
190.08803	0.8
200.09300	39.7
201.09613	1.3
211.07639	0.6
214.27563	0.5
249.21548	0.5
255.06648	24.5
256.07031	1.1
276.12204	0.7
284.03296	0.8
294.13455	1.2
315.24594	0.5
382.57614	0.7
397.02393	0.7
431.12592	1.0
438.46722	0.5
445.02875	0.6
456.16675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84181	0.4
59.01392	1.5
61.98836	100.0
69.27354	0.8
69.27767	1.7
71.01398	0.7
77.76942	0.4
85.02946	0.5
85.04091	1.0
89.02421	0.4
96.96035	0.7
119.05062	0.5
123.04576	0.6
129.04205	3.3
152.01215	0.5
167.03517	2.6
239.05492	0.6
457.17294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70331	0.3
58.65513	0.3
58.89815	0.3
59.01385	3.4
60.59768	0.3
61.98836	100.0
71.01418	0.4
71.41240	0.3
74.02486	0.4
78.60110	0.3
83.05070	0.7
92.68679	0.3
96.95364	0.3
96.96026	0.3
100.07707	0.2
101.02464	0.5
114.05633	0.3
117.03517	0.4
119.05056	0.5
133.03009	0.3
135.04558	0.4
243.17195	0.3
249.09026	0.3
254.02696	0.5
279.09610	0.3
456.30771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36635	1.6
59.01370	5.0
61.98824	6.1
67.05531	1.7
69.67330	6.0
78.09050	1.5
78.95920	14.9
79.07086	1.7
81.73785	1.8
82.94611	2.6
84.94317	4.0
96.95998	3.1
96.96957	3.6
107.03643	1.7
108.02034	2.7
113.03535	1.7
119.25917	1.8
126.03125	4.4
126.93582	3.2
128.03528	3.2
128.93257	2.6
130.08733	6.5
131.08287	9.2
133.01585	20.2
134.04756	3.1
143.04645	2.6
150.04233	100.0
151.04575	2.1
173.10446	10.2
201.02524	3.1
282.08475	64.5
283.08658	4.3
320.09338	2.7
326.16934	2.2
358.04797	4.4
456.17343	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	456.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04253	5.1
59.01390	100.0
61.98832	6.7
71.01386	24.2
71.25737	7.1
73.02940	26.6
75.53535	5.5
89.02450	22.9
99.00890	59.5
101.02429	14.0
105.43103	6.2
113.02479	13.0
124.36681	5.3
131.03505	9.4
138.49522	5.4
148.58519	6.0
149.04553	13.6
149.38254	6.1
161.04541	12.1
191.05592	20.3
307.06531	6.3
415.16299	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	456.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32051	7.8
57.60320	6.0
59.01385	100.0
61.87822	6.7
61.98832	16.3
65.00336	7.1
66.70375	8.7
69.17318	27.5
69.17727	16.8
71.01382	20.9
73.02956	13.5
73.85698	6.1
85.02965	8.0
86.52073	7.2
92.92059	5.9
96.96053	7.9
98.21967	15.9
99.00903	22.7
99.20325	6.7
101.02441	11.0
108.95313	7.4
113.02491	10.8
119.05036	13.8
125.02566	6.9
128.03514	14.2
188.92332	6.7
190.02675	7.1
191.05600	6.9
249.05594	11.2
337.07248	7.8
390.54178	6.7
457.17804	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	456.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98832	21.6
69.80334	18.8
71.01386	25.6
73.02959	20.4
77.67801	5.2
83.01360	6.2
86.02493	7.2
87.63015	5.7
89.02460	15.3
96.95984	10.5
99.00883	24.0
99.04533	10.2
101.02454	20.1
110.62328	6.4
113.02476	11.8
113.06927	5.5
119.04989	13.8
128.03557	22.1
136.20296	6.8
149.02434	7.3
164.04904	7.7
171.07733	12.4
175.00365	11.5
188.05705	5.3
190.02736	15.3
191.05640	10.6
196.02557	9.0
205.05028	10.3
220.11218	6.3
248.02374	9.8
249.05539	16.6
284.03323	8.4
311.05634	8.6
337.07104	8.6
457.16501	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	457.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.6
61.51438	2.3
61.98838	13.0
69.79734	7.1
71.01419	3.5
81.03340	9.0
88.04063	2.8
89.56911	2.2
119.05047	26.6
121.69180	2.4
128.03487	3.0
153.01941	2.7
163.04054	16.7
169.05190	3.1
178.01846	2.8
205.02881	53.2
217.00427	5.3
221.03783	2.6
226.15562	3.1
226.21878	3.3
252.02959	100.0
253.03264	4.5
298.17593	2.4
457.13458	15.6
457.18964	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	457.1143
Annotation	Chrysin 7-(4''-acetylglucoside)
Peak:m/z	Relative Intensity
50.20839	0.1
59.01386	3.6
63.02402	3.7
64.99988	0.2
65.00328	3.8
68.62989	0.1
69.22868	0.4
70.90797	0.1
71.01386	0.6
73.02943	0.3
79.01900	0.1
80.91697	0.5
82.45677	0.1
83.01404	0.4
85.02963	0.2
89.00344	0.3
89.02453	0.4
93.03437	0.1
95.01404	0.1
99.00877	0.1
99.08160	0.1
101.02452	0.4
101.03976	0.3
107.01402	3.6
108.01774	0.1
113.02448	0.2
115.05582	0.2
117.03452	0.1
119.05028	0.8
121.02976	0.3
123.04464	0.1
125.02443	0.1
127.05157	0.4
128.03554	0.3
135.00935	0.1
137.69321	0.1
139.05536	0.3
139.11272	0.1
141.07176	0.1
143.05042	4.0
144.05371	0.2
145.02971	2.5
145.06152	0.4
146.03253	0.1
148.01703	0.3
149.02390	0.1
151.00381	2.7
153.07098	0.3
155.05081	0.3
157.06599	0.3
165.07104	1.3
167.05052	1.4
171.08173	0.3
171.10292	0.4
180.05846	2.3
181.06583	1.9
182.06885	0.1
183.04530	0.4
185.06105	1.4
187.04045	0.4
187.70737	0.1
193.06538	0.2
195.04582	0.1
195.13927	0.4
197.06071	0.5
208.05312	0.4
209.06097	10.3
210.06480	0.5
211.04044	1.1
211.13342	0.2
221.06111	0.3
223.07506	0.1
223.13177	0.3
224.04770	1.4
225.05531	1.0
226.05974	0.1
235.13034	0.2
237.05569	0.6
239.07161	0.3
249.05386	0.1
252.04297	1.0
253.05080	100.0
254.05417	6.6
265.05051	0.5
266.05902	0.1
267.06607	0.6
277.05051	0.4
277.14264	0.6
295.06165	1.5
296.06741	0.1
309.11819	0.1
325.00549	0.1
329.23355	1.0
375.20258	0.5
393.92172	0.1
397.09564	0.1
397.18192	0.9
415.10394	0.3
431.74323	0.1
455.93002	0.1
457.11429	40.0
458.11786	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84698	0.5
55.65610	0.6
59.01382	83.0
59.84523	0.5
61.98833	0.7
65.39948	0.5
69.58296	2.3
73.10922	0.7
78.95898	1.1
83.06149	1.1
87.00893	0.7
101.02470	0.9
117.00490	0.8
121.71604	0.6
126.00441	0.6
130.08784	3.0
131.08278	8.8
141.01578	0.9
150.05254	1.8
153.99940	0.7
157.03560	5.2
159.01558	4.0
170.97911	0.7
172.01056	8.5
173.01173	0.7
173.10403	0.7
174.99246	0.6
183.01457	1.5
185.01282	0.6
185.03046	0.7
192.02678	1.2
194.07906	2.1
196.05803	11.0
197.05931	0.7
201.02565	100.0
202.02730	6.9
212.08954	0.9
214.05823	1.0
217.00356	0.9
222.99413	0.8
231.08357	2.4
238.06860	39.1
239.06987	3.4
240.94397	0.7
255.09521	13.6
256.09735	1.4
273.10593	0.7
281.11295	0.7
283.02774	0.7
309.14255	3.8
315.11560	1.9
326.16757	3.0
337.08658	1.2
355.08618	2.3
379.09442	0.7
380.08029	7.6
381.07986	0.6
397.10641	5.0
398.10614	0.8
415.11685	7.0
416.11490	1.0
467.66870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02580	1.0
54.74999	1.1
59.11781	1.2
61.90073	1.0
65.00327	6.4
68.99823	5.4
70.06216	2.7
72.14594	0.9
75.45538	1.1
81.03464	20.5
82.00603	2.2
83.01352	0.9
92.99857	1.3
94.67796	0.8
96.99325	2.0
104.02702	1.4
110.00114	18.2
117.03471	1.8
121.22585	1.3
123.00888	2.3
123.04408	1.0
124.01664	1.5
124.77287	1.0
127.00307	1.4
132.02162	1.1
133.02904	2.4
136.98817	3.5
137.02522	2.0
137.99609	5.4
145.06628	5.2
148.01686	7.9
153.07138	1.2
155.05067	5.7
157.06586	14.2
161.02473	2.2
163.00407	1.3
164.98291	10.1
165.99100	17.5
169.06595	2.5
171.04539	2.0
171.08162	1.7
172.05310	1.7
173.06006	1.5
175.04054	2.0
176.01183	14.5
177.01868	1.7
178.99831	2.4
179.03477	1.5
181.06570	8.0
183.04529	1.6
187.07649	13.3
188.01125	1.4
189.02000	1.3
192.00708	7.3
197.06163	1.4
199.04005	1.3
202.99886	1.4
204.00671	3.9
213.05577	2.4
217.01448	12.1
218.01881	1.5
219.08209	1.1
223.07655	1.4
225.05589	100.0
226.06017	6.3
237.05655	1.1
239.07161	3.1
241.05060	5.3
241.08669	2.1
243.06602	2.2
256.11575	1.1
263.07181	2.8
265.08682	2.2
267.06656	1.7
268.06210	1.0
269.04562	41.4
269.25116	1.3
270.05331	23.8
271.05551	1.3
281.08292	4.8
291.06711	7.3
307.06198	2.3
307.09711	2.8
308.06912	8.0
309.07703	18.2
310.08051	2.1
351.08615	4.0
375.81488	1.0
395.12820	2.8
413.14038	2.4
439.11832	12.3
440.12366	1.8
457.12979	22.5
458.12958	1.7
474.96716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80098	1.3
57.59206	1.2
59.01394	1.6
64.41374	1.3
65.00329	20.1
65.99858	1.9
68.99828	2.9
71.41988	1.4
73.42493	1.6
81.03452	3.3
82.00200	1.5
82.00603	7.2
83.01402	1.7
92.99824	2.5
95.01418	2.3
96.44089	1.7
96.99329	2.3
110.00114	52.5
111.00892	4.2
119.05007	9.3
123.00913	2.2
124.01674	2.5
127.88831	1.3
135.00912	2.2
136.00435	5.2
136.98822	18.8
137.99634	12.1
143.05064	2.3
145.06598	2.2
148.01625	2.3
150.02022	3.4
152.03601	1.8
163.99875	2.4
164.98306	15.1
165.97679	1.7
165.99084	34.3
169.06639	3.2
171.04491	9.3
172.05376	2.2
173.06114	8.0
176.01180	3.8
178.99905	3.8
181.06665	2.4
187.07564	3.6
192.00760	3.1
197.06201	2.0
213.05615	4.8
214.06364	2.7
217.01527	2.4
217.31158	1.4
225.05655	4.5
239.07083	3.0
241.05089	37.2
242.05756	3.6
242.08359	4.4
243.06633	27.5
263.07339	2.0
264.07681	1.5
267.06714	4.0
268.06158	4.3
269.04562	100.0
270.05286	60.1
270.07806	8.6
271.05637	2.8
279.07764	1.8
280.06573	1.6
286.07211	3.1
291.06628	2.7
307.05991	1.8
308.06879	6.1
309.07471	3.0
310.07651	1.8
310.10928	3.3
311.10693	1.6
351.08954	2.0
352.11978	3.1
395.12976	3.9
415.12170	2.8
425.11551	1.9
439.11945	16.8
443.56586	1.7
457.13092	34.8
458.13141	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13292	2.0
61.12804	2.0
62.55534	1.8
65.00331	6.7
65.99854	2.5
68.99800	2.1
75.00867	3.3
80.35558	1.8
95.01402	3.8
110.00090	2.7
111.00893	3.3
134.00067	3.2
136.98804	7.6
140.01819	2.3
144.78407	2.2
145.06599	5.2
150.01872	2.2
157.06645	2.5
161.99559	8.0
165.07088	3.2
169.06616	3.7
170.77605	1.9
171.04520	10.7
173.06079	5.0
176.01196	2.4
177.07129	2.7
181.06657	5.7
187.07631	2.4
188.98271	4.7
189.99084	34.6
193.06604	6.3
197.00720	2.0
205.06529	4.0
207.51833	1.9
209.06163	4.6
212.91025	2.2
216.97816	2.2
221.06084	4.2
224.07124	2.6
225.05589	5.5
237.05527	4.0
240.06662	6.1
241.05077	19.3
241.08571	4.3
243.06593	18.8
249.05522	8.0
253.05075	6.3
254.08147	7.4
265.05026	11.3
266.05804	5.2
266.08304	4.4
267.06702	12.1
268.06131	18.6
269.04562	36.2
270.05096	2.9
277.05093	2.1
282.07776	9.4
293.04510	11.3
294.05264	15.5
295.06012	3.6
310.07224	68.2
321.04047	49.3
322.04401	2.8
338.06470	3.6
397.10760	5.4
414.08167	4.7
425.10342	100.0
426.10614	10.7
439.12137	2.4
457.12915	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	457.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95173	1.2
61.98806	1.8
62.23463	1.4
65.00327	2.8
67.40399	1.2
68.99834	1.7
69.25150	1.3
69.77218	4.4
126.51697	1.3
134.00108	3.7
157.06555	1.7
161.99629	6.4
165.07133	1.7
171.04530	4.1
177.07127	3.2
181.06645	2.9
188.98286	3.7
189.99094	35.1
193.06583	5.6
205.06583	4.7
209.06149	2.9
216.97719	1.7
221.06059	4.1
225.05562	3.1
237.05588	2.9
249.05647	8.0
253.05023	2.2
265.05145	9.5
266.05853	6.3
267.06625	1.7
269.56186	1.3
276.74493	1.9
277.05118	2.7
286.19757	1.5
293.04562	10.4
294.05295	13.3
295.06076	1.6
308.07059	1.8
309.07526	1.7
321.04062	44.6
322.04349	5.4
383.09290	2.8
397.10736	4.1
425.10342	100.0
426.10617	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	457.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96839	1.1
65.00330	2.1
70.03915	2.4
70.04246	1.5
81.03459	2.9
95.01385	2.3
96.02216	1.8
98.21920	1.9
104.02704	4.1
108.02193	2.6
109.02911	2.0
117.03449	2.7
119.05061	1.3
124.01672	4.1
125.02455	3.7
126.47820	1.3
132.02185	2.5
133.02928	8.0
135.00923	2.0
135.04518	1.8
137.02441	6.1
147.00861	1.6
148.01675	19.6
150.92107	1.2
151.03900	1.1
159.04507	1.2
160.01657	3.5
161.02477	5.2
163.00372	3.9
164.01164	2.1
169.06567	2.0
173.06052	1.3
174.03400	1.4
175.03990	4.9
176.01163	47.3
177.01965	9.9
179.03520	3.1
185.02480	1.7
188.01151	9.0
189.01892	2.5
190.02654	2.4
192.00612	9.0
193.06662	1.4
195.08133	2.2
202.99890	3.4
203.03535	4.7
204.00679	12.2
205.01338	1.9
206.02214	2.7
213.05647	1.7
217.01416	30.5
218.02242	5.8
219.02725	1.7
219.08200	1.8
221.09689	1.1
223.07547	3.7
225.05513	2.2
239.07025	6.2
247.07614	3.9
253.08641	2.0
263.07178	5.3
264.07922	3.2
265.08646	6.2
267.06653	2.2
269.04657	2.9
270.05313	2.1
280.07367	3.0
281.08173	20.1
282.08618	2.2
291.06665	27.8
292.07202	5.0
307.06192	4.1
307.09756	10.4
308.06927	19.7
309.07709	100.0
310.08038	7.1
311.05499	1.2
333.07782	1.7
351.08810	18.7
352.09265	2.1
413.13965	4.5
439.11914	4.6
457.12946	62.9
458.13446	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	457.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63447	0.9
56.52725	1.0
56.98585	0.9
59.01373	1.0
59.24096	0.8
65.00329	3.4
67.01881	1.2
67.53223	1.0
69.82131	2.8
81.03464	2.1
82.00600	1.1
83.01398	1.2
84.91170	0.8
89.03999	1.5
104.02673	4.7
105.03512	1.0
108.02194	2.9
109.02971	3.5
110.00108	4.3
117.03465	2.1
120.02138	1.2
124.01657	4.0
125.02463	4.1
132.02176	4.7
133.02954	8.3
135.00856	1.4
135.04521	2.2
136.98863	1.9
137.02425	6.7
137.99559	1.1
145.02943	1.5
147.00856	1.5
148.01685	23.9
151.03958	1.3
152.01100	1.0
159.01042	0.9
160.01680	4.1
161.02438	6.7
163.00407	2.3
164.01147	3.8
164.98337	2.4
165.99062	3.3
169.06648	1.6
171.04517	1.2
173.06053	1.1
174.03191	1.2
174.89114	1.0
175.03972	4.7
176.01149	48.6
177.01924	10.8
179.03500	3.6
181.06763	1.1
185.02425	2.9
187.07628	1.1
188.01152	7.9
189.01909	2.8
190.02719	3.2
192.00674	10.8
195.08134	2.0
197.06039	1.3
197.32410	1.0
202.99834	2.9
203.03435	5.8
204.00650	14.1
205.01361	2.4
213.05559	1.7
214.02731	2.1
217.01427	29.9
218.02139	9.2
219.02876	1.3
221.05904	1.3
221.09911	1.5
223.07642	3.9
225.05618	2.8
235.07571	1.0
237.05414	1.2
237.09232	1.5
239.07187	4.9
241.05116	2.9
243.06601	2.3
247.07684	2.7
262.06390	1.2
263.07193	6.0
263.10617	1.6
265.08710	5.3
267.06680	3.2
269.04514	7.7
270.05344	5.9
271.05737	1.8
279.06644	1.7
280.07431	2.2
281.08203	20.9
284.03262	4.4
289.08682	1.7
291.06641	30.7
292.07187	2.9
299.05484	1.9
307.06131	3.9
307.09766	10.3
308.06961	21.2
308.10358	2.2
309.07703	100.0
310.08032	7.8
333.07590	1.9
351.08771	20.9
352.08960	2.1
382.00235	2.2
395.12854	2.4
397.02426	2.8
413.13898	6.1
439.12042	3.5
457.12970	61.1
458.13190	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.7
70.70602	0.6
71.01379	1.8
73.02939	1.3
74.02467	0.4
78.95900	0.6
85.02956	0.5
88.98796	0.3
89.02461	1.0
93.03454	0.4
99.00893	1.7
101.02447	1.3
113.02493	0.6
117.03477	0.4
119.05038	100.0
120.05368	3.1
125.00133	0.9
128.03564	0.5
133.45459	0.4
135.04558	0.4
145.02902	0.4
151.93755	0.4
161.04573	0.3
161.06087	0.6
163.04021	49.8
164.04382	1.9
179.07213	0.6
191.05626	0.3
200.34860	0.4
205.05074	1.1
227.14166	0.3
240.99487	0.4
325.09326	0.5
457.13565	56.7
458.13925	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.6
69.27547	0.5
69.27953	1.0
71.01386	2.0
73.02962	1.1
85.02954	0.5
89.02465	0.6
90.58906	0.3
93.03474	0.5
94.65176	0.3
94.98079	0.3
99.00897	2.0
101.02446	1.0
107.49153	0.2
113.02473	0.4
119.05040	100.0
120.05376	3.5
124.72271	0.3
128.03540	0.3
131.66034	0.3
133.03003	0.3
133.06601	0.4
161.04701	0.3
161.06123	0.6
163.04025	51.5
164.04399	2.0
179.30138	0.3
182.98491	0.3
205.05128	0.8
218.54958	0.3
325.09332	0.9
331.97791	0.3
457.13565	53.7
458.13895	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	457.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03452	0.7
59.01385	85.6
60.01730	0.8
62.04286	0.5
69.03471	1.1
69.05822	1.5
69.06245	1.7
71.01389	37.3
72.99316	1.3
73.02954	40.8
74.03286	0.7
78.59474	0.4
79.06735	0.5
81.03467	1.1
83.01392	6.0
85.02959	7.3
87.00897	1.5
89.02455	37.1
95.01397	2.1
96.96046	1.4
97.02992	1.2
99.00892	100.0
100.01251	1.7
101.02457	23.5
102.81322	0.5
113.02461	16.2
119.03518	3.8
125.02446	3.8
125.69656	0.5
127.04031	0.6
131.03519	12.0
143.03535	4.2
149.04575	28.4
150.04890	0.5
155.03528	3.9
161.04582	10.5
167.63881	0.4
177.01974	0.5
179.05669	0.9
191.05637	38.9
192.05974	1.9
203.05643	14.0
204.05928	0.7
221.06540	0.5
233.06691	3.7
249.92116	0.5
278.74640	0.4
415.16080	7.5
416.16333	0.7
417.35672	0.5
457.17178	12.8
458.17166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05770	0.7
54.70999	0.6
57.03451	13.7
59.01387	6.2
61.18255	0.9
71.01379	5.3
73.02961	1.4
81.07096	1.6
83.04991	0.9
85.02959	2.0
89.02493	1.0
95.05048	2.4
99.00889	1.1
99.08167	75.7
100.08508	1.7
101.02454	2.0
105.03447	1.1
109.06606	1.2
110.99936	0.7
113.02465	1.7
123.04536	100.0
124.04879	2.8
127.07667	76.6
128.08011	2.8
129.05591	75.6
130.05991	1.0
136.26918	0.7
138.03319	0.8
138.90565	0.8
143.07166	1.1
145.19737	0.7
153.05585	45.3
154.05908	1.2
161.04578	11.0
171.06645	18.8
189.07698	4.5
260.21069	0.8
267.56030	0.8
285.09808	12.7
286.10312	1.2
439.16086	1.3
457.17184	20.4
458.17456	2.2
470.62448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13606	1.0
55.01882	2.4
57.03450	8.3
58.00579	1.6
58.43929	1.0
59.01384	79.5
59.67891	1.0
69.00507	1.0
69.03462	6.2
69.05870	2.3
69.06271	7.4
71.01389	71.7
72.99302	1.9
73.02946	10.6
75.00883	2.4
81.03474	4.1
83.01374	5.3
85.02934	8.8
87.00856	1.4
89.02454	100.0
90.02797	1.7
95.01367	2.3
95.05020	1.0
97.02948	12.5
99.00892	17.1
99.04518	2.2
99.08170	30.5
101.02453	18.7
111.00848	2.3
113.02446	7.8
115.04002	8.5
119.03504	2.4
121.02879	1.0
123.04538	57.1
124.04823	1.3
125.02454	46.6
127.04024	1.3
127.07665	34.2
129.05595	13.6
131.03529	10.2
143.03482	2.2
147.04520	1.1
148.05325	55.6
149.04561	10.4
149.05638	2.1
153.05602	23.8
154.06056	1.5
161.04529	6.5
163.07664	15.7
171.06625	7.8
173.02892	1.2
173.04462	1.5
174.29355	1.1
191.05612	6.2
233.06682	38.5
285.09854	4.7
293.08829	19.6
321.88034	1.2
457.17349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1724
Annotation	Pectinolide F
Peak:m/z	Relative Intensity
55.01898	2.3
57.03456	2.5
59.01387	100.0
61.11372	1.0
61.98829	1.9
64.54774	1.1
69.03446	3.2
69.45236	4.9
71.01392	29.5
72.99305	3.2
73.02950	8.9
74.10693	1.1
78.95894	1.1
83.01407	3.4
84.02161	1.2
85.02959	20.1
87.00874	2.5
89.02458	32.4
93.03451	1.9
95.01400	3.2
96.96026	1.5
97.02947	7.1
99.00889	25.9
99.08156	1.9
101.02451	15.1
109.02946	1.2
111.00855	1.2
111.04528	1.3
112.93803	2.5
113.02464	40.6
117.03482	4.3
119.03544	8.0
119.04996	2.4
121.02993	1.2
123.04519	2.4
125.02478	4.1
127.07574	1.6
128.03551	4.8
129.10382	1.2
131.03531	5.1
135.04510	1.4
137.02454	2.5
143.03484	4.6
149.04573	12.9
151.04005	1.2
153.05560	2.7
161.02486	1.5
161.04523	6.5
161.16034	1.2
167.03514	1.5
173.04515	1.5
175.04051	1.9
179.05737	1.4
180.06024	1.0
191.05646	8.3
215.05545	4.5
233.06653	4.5
235.25720	1.1
264.31863	1.1
293.08646	1.2
355.11893	2.3
387.27078	1.2
397.10120	2.0
397.15030	22.4
398.15552	1.6
415.16147	21.2
416.16769	1.4
457.16953	3.0
457.26627	1.6
482.48151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.7
56.40417	0.9
57.03455	5.5
59.01383	53.3
61.98832	1.5
69.03457	1.6
71.01387	100.0
72.01708	1.1
72.69370	1.0
72.99303	1.6
73.02954	26.9
81.03474	1.1
83.01391	13.6
85.02957	40.2
85.03482	2.0
87.00899	5.5
89.02448	24.1
95.01417	6.9
97.02962	5.0
98.22687	2.9
99.00893	8.3
101.02453	63.4
102.02779	1.4
108.02174	1.0
109.02919	2.2
113.02457	47.3
115.04069	0.9
115.05560	1.1
119.03492	8.7
125.02474	3.1
129.01949	1.9
131.03525	3.6
131.05078	4.7
133.06580	5.8
143.03528	9.1
159.03062	8.2
161.04572	71.3
162.04913	1.6
179.05672	2.0
203.05634	1.1
221.06712	7.4
295.11877	2.0
302.08618	1.0
323.09830	1.2
336.59207	1.0
337.07037	1.9
421.11389	4.5
457.11072	2.7
457.17206	30.0
458.17371	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	457.185
Annotation	SCHEMBL16243022
Peak:m/z	Relative Intensity
56.78990	16.2
59.01384	100.0
59.28309	18.5
64.06073	15.0
69.27662	92.5
71.01369	20.0
73.02958	16.8
79.84644	18.6
89.02444	35.5
90.63374	17.0
91.29507	20.3
98.22719	31.1
99.00898	41.1
157.89801	18.1
167.89366	19.1
324.35788	17.5
457.18292	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28987	1.7
74.57912	0.4
80.15524	0.4
95.33808	0.4
97.74124	0.4
98.43916	0.4
99.92589	7.2
100.93371	47.1
101.93409	2.5
115.92086	100.0
116.72455	0.4
116.92101	4.0
116.92875	9.1
132.92351	1.2
154.94576	0.4
164.93887	0.4
172.95488	5.7
209.25006	0.4
219.54308	0.4
234.08403	0.4
265.94910	0.4
283.26431	0.8
383.18967	0.9
409.20563	0.7
457.22546	5.4
458.22769	0.5
477.15128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.6
64.47404	1.5
65.00339	6.9
70.62276	2.0
71.01388	2.6
74.19768	1.5
75.00886	6.3
78.71212	1.8
81.31208	1.9
85.02943	9.1
87.41486	1.7
95.01420	3.3
99.00928	2.2
103.00391	4.9
113.02452	11.1
136.00429	5.5
136.98825	3.3
145.06606	3.1
148.98817	2.0
150.01938	2.9
155.05002	2.2
162.02127	2.5
163.00357	4.4
163.99887	2.0
165.99142	2.0
171.04594	6.7
173.06131	2.0
175.02641	3.0
189.99086	6.9
190.99484	2.0
193.06598	1.9
194.09720	2.0
240.06734	8.8
241.05009	2.0
242.05362	2.1
244.06996	2.8
254.08186	11.6
265.05280	1.9
266.05670	2.9
266.08273	10.3
267.06485	2.0
268.03723	28.3
268.06238	29.5
269.04453	3.7
270.04913	3.7
270.07669	2.8
282.07712	16.0
283.02826	4.5
283.06168	19.8
283.08441	1.6
295.05701	3.1
310.07208	100.0
311.07648	7.6
319.33035	1.8
321.03983	4.0
322.04388	5.1
338.06906	8.6
370.09891	1.9
387.09753	1.8
399.12402	33.4
410.08356	2.2
414.08261	7.2
425.10327	2.1
426.10760	20.5
427.11029	2.1
440.11310	2.2
457.33237	3.7
458.12967	3.5
458.33942	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	458.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42373	6.1
59.81150	6.3
60.24058	6.2
69.07289	37.0
71.01380	10.0
75.00871	88.7
84.24689	6.8
85.02942	11.9
88.17562	6.2
88.26042	6.1
100.32218	6.6
103.00373	74.2
104.06513	5.9
113.02464	28.4
143.18321	6.7
150.01982	12.3
162.01961	6.8
163.99861	14.1
190.98610	19.6
206.00888	11.1
254.08279	12.1
267.05203	7.4
268.03748	69.5
268.06207	31.1
282.07809	39.8
283.06039	44.9
296.05762	32.1
310.07230	100.0
322.07272	14.5
338.06659	41.0
354.06381	13.9
356.07706	15.7
382.05469	8.9
414.08426	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.6
61.78396	0.9
64.01931	4.9
65.00330	2.4
65.42613	0.8
65.99854	30.5
68.99821	1.5
69.95943	1.8
69.96284	1.1
71.01383	1.0
75.00858	1.0
76.04926	0.7
82.02975	0.8
83.01383	4.0
85.02967	2.1
88.01933	1.9
96.00938	1.5
98.02479	0.7
108.00935	4.0
110.02518	2.7
113.02476	2.8
117.01914	0.9
119.05042	1.4
120.00908	2.4
122.02514	0.8
123.03288	2.1
124.00362	0.9
131.05019	2.0
132.00937	2.0
133.01701	3.0
134.02512	2.9
134.90948	0.7
135.03293	2.6
136.00394	9.6
140.03537	1.3
145.06607	1.4
147.04535	3.6
150.01974	2.5
151.00403	0.9
151.02739	2.6
159.04465	0.9
163.00403	1.8
163.99892	9.8
165.00705	2.0
166.01532	1.5
169.06586	1.7
171.04552	4.7
173.06067	0.8
175.02449	1.0
175.99893	26.8
177.00507	1.7
178.01494	1.6
180.08110	0.9
185.06039	0.9
189.00668	2.7
189.05563	10.8
191.99426	1.4
192.03026	1.4
198.05624	1.1
206.00999	1.1
208.07706	1.1
210.05455	1.0
212.07224	1.4
213.05605	2.5
218.00912	1.0
224.07312	1.7
225.05428	0.9
226.05095	1.6
226.08714	1.9
228.06683	1.4
236.07367	0.9
238.05067	3.6
240.06700	2.8
242.08243	21.5
252.06639	2.7
254.08232	1.5
255.03043	0.8
255.06630	5.7
268.03699	6.8
268.06192	23.0
269.06747	2.1
270.07730	59.0
271.08130	4.8
280.06168	100.0
281.06479	7.1
282.07770	5.0
283.06079	5.0
296.05652	11.0
296.08920	1.0
297.06073	0.8
308.09244	4.4
310.07275	7.3
311.07504	0.7
312.08792	2.2
324.08789	1.0
352.08286	6.2
414.13690	6.4
430.12851	2.3
440.11441	1.8
458.12433	11.9
459.12674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86009	0.4
57.03450	9.7
59.01365	0.5
65.00325	0.8
66.02374	0.4
66.48418	0.4
68.99818	0.8
69.11772	2.4
70.50576	0.4
71.70333	0.4
83.01372	0.5
85.02958	1.3
94.00618	0.6
95.01419	0.6
96.04572	3.1
98.02488	1.2
113.02464	1.6
120.04523	1.0
122.00107	1.8
134.02512	0.7
134.03906	0.6
134.06091	0.4
137.02460	0.5
138.05611	6.0
144.04642	0.5
145.06628	2.0
146.02480	1.6
150.05693	0.5
160.04063	1.2
162.05617	1.7
163.00398	0.9
164.03514	0.6
169.06624	1.0
171.04559	2.7
173.06180	0.7
176.01140	1.3
176.03537	0.6
177.01884	1.4
178.05141	3.5
179.07431	0.7
180.50745	0.5
190.01463	3.2
192.93810	0.4
197.05971	0.4
200.58688	0.4
204.02982	1.2
206.04507	3.8
210.07028	0.4
211.49504	0.4
216.02992	0.7
219.05444	0.5
222.09212	0.4
223.06456	2.2
224.06885	0.4
224.10750	0.4
225.05585	1.0
225.09145	0.5
226.06389	2.1
226.08365	0.4
227.07072	0.4
232.06151	6.2
239.05943	0.5
240.06645	1.5
240.10371	2.2
241.08736	0.8
242.08237	4.0
242.11896	0.5
252.06703	2.4
252.09048	0.5
253.05064	1.3
254.05817	3.2
254.11972	0.8
264.10068	0.5
266.11880	1.4
267.05447	1.0
268.03833	4.4
268.06296	0.6
268.09775	3.3
269.08102	1.5
270.07721	6.4
282.11368	8.8
283.02942	0.7
283.06082	3.8
283.11685	0.7
292.09851	0.9
294.07745	13.6
295.08249	1.4
310.10864	100.0
311.11203	8.8
352.11926	39.5
353.12201	4.0
440.14984	4.6
441.15482	0.6
458.16129	27.6
459.16443	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	458.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88422	1.2
55.27861	1.1
59.01385	100.0
60.01722	1.1
61.98811	1.1
64.12945	1.0
71.01392	19.4
71.30994	1.5
72.99319	1.1
73.02982	1.5
77.14436	1.0
79.89105	1.0
83.01405	1.5
85.02958	6.5
87.00884	2.0
89.02455	27.2
95.01405	2.4
96.96015	1.1
101.02464	11.6
113.02456	13.6
119.03501	12.6
119.05020	1.1
121.14148	1.1
125.02451	2.7
125.03386	1.2
128.03568	3.4
135.04587	1.4
137.02469	1.2
143.03526	4.1
151.07652	1.6
161.02525	1.6
161.04582	5.7
161.06104	13.6
163.07652	3.1
165.09302	1.7
175.00266	1.3
179.05624	19.7
179.07170	14.6
193.08731	3.0
207.31223	1.2
221.08200	5.0
276.67413	1.0
303.06378	1.0
341.12445	23.0
390.23578	1.2
404.04800	1.1
434.71863	1.2
441.22845	1.3
458.26797	1.6
459.14981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51104	1.5
57.03442	1.8
58.68954	1.5
59.01387	84.7
60.01726	1.8
64.20782	1.6
65.00343	4.5
69.47454	1.5
69.47739	7.5
71.01389	21.1
73.02955	6.8
75.00880	3.1
83.01401	2.9
85.02957	11.3
87.00861	1.9
89.02465	1.8
95.01342	1.6
96.96015	5.7
98.21917	3.5
99.00889	2.8
101.02451	12.0
107.41730	1.7
113.02467	13.3
116.49138	1.4
117.03488	3.3
119.05032	2.6
124.01685	6.7
136.07716	1.8
136.98814	8.4
143.03578	1.8
151.07603	1.6
159.03040	4.3
161.04576	41.5
162.04904	2.4
167.03609	2.1
179.07156	100.0
180.07466	3.8
231.04654	1.9
255.03014	15.9
278.57196	1.8
283.02490	28.6
283.05371	2.6
341.12436	15.4
355.55194	1.6
397.32520	1.7
423.87384	1.8
453.37357	1.7
459.14902	6.2
459.19980	4.1
483.71677	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.6
61.98829	0.9
65.00340	2.5
67.36033	0.4
71.01379	2.0
71.96270	0.4
72.99316	2.2
73.02952	1.2
75.00880	24.6
78.95930	0.9
79.01897	1.9
83.01344	0.5
85.02954	0.7
87.00869	1.0
89.00353	2.9
89.02444	4.2
91.01901	0.9
93.03497	0.5
95.01412	0.5
96.96021	1.5
101.02459	1.2
107.01410	0.8
109.02936	0.6
113.02493	0.9
115.25289	0.5
116.99841	11.6
117.01947	1.2
117.03471	7.9
119.01409	1.5
119.05041	4.8
120.99317	3.3
121.02974	1.0
123.00886	1.1
123.04527	2.0
128.03532	1.0
133.03003	0.9
135.03020	49.9
136.03358	0.6
136.98827	2.1
137.02464	1.1
138.03281	0.5
139.00415	0.6
145.02930	0.7
147.00897	4.9
151.00377	4.4
152.01216	0.6
152.03458	0.5
153.05611	1.2
155.05009	0.6
159.04517	0.5
161.02470	4.2
162.02612	0.5
163.00317	0.8
163.04112	0.7
164.98247	0.4
165.01851	0.5
165.86813	0.5
166.99783	1.0
167.03510	4.8
167.04936	0.9
168.94734	0.6
169.06558	0.6
175.00357	2.5
177.01816	0.6
178.99876	10.7
182.02187	0.6
183.03046	0.6
183.04602	1.4
185.02409	1.4
187.04047	0.6
190.99911	0.5
193.01401	0.9
195.04512	2.9
197.04585	2.2
197.06123	0.7
202.99886	18.1
203.99507	1.8
204.97763	3.4
209.00993	0.6
211.04028	3.8
213.05455	0.7
216.26208	0.6
221.00922	1.5
223.04056	2.3
225.05598	0.7
233.16611	0.5
239.03479	1.6
239.05722	1.9
240.04109	0.5
241.05061	0.7
251.03575	2.2
255.02997	4.7
267.03000	12.2
268.03467	1.2
269.04529	4.1
269.06870	0.6
279.02924	1.1
281.04703	0.5
283.02542	8.0
284.03149	1.0
285.04086	9.3
295.02438	4.5
297.04044	4.7
297.13840	0.6
299.07889	0.9
311.01984	1.1
313.03613	3.2
323.01996	100.0
324.02191	9.0
324.05255	1.3
325.03583	3.2
326.06918	0.5
341.02936	3.9
341.08936	1.1
355.04633	1.4
371.04214	0.6
408.98312	0.6
415.06937	1.0
426.22675	0.5
459.04803	0.7
459.18723	4.4
460.18781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.0
59.01378	15.9
61.32494	1.4
66.49190	1.2
69.34277	2.0
69.34684	4.9
70.34248	1.3
71.01394	11.3
72.99305	1.5
75.00881	5.2
75.01260	1.3
83.01431	1.5
85.02960	19.3
87.00890	2.8
95.01385	7.0
99.00874	9.0
103.00374	3.4
110.00123	6.3
110.22126	1.4
113.02457	39.3
117.01934	2.2
126.33807	1.4
140.76469	1.3
153.62831	1.5
163.00369	3.0
165.99098	5.9
175.02478	5.3
184.05292	3.9
195.72351	1.3
200.27191	1.3
211.04095	1.7
212.04791	1.3
223.04062	2.9
239.03523	4.3
240.04262	2.9
254.51151	1.5
267.02991	3.7
268.03775	100.0
269.04202	7.5
283.06131	67.9
284.06470	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	459.0934
Annotation	Baicalein 6-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
55.01878	1.1
57.03461	3.1
59.01382	13.2
65.00317	0.6
65.36980	0.5
68.99814	1.1
69.59287	0.5
69.59618	2.1
71.01382	11.5
72.99300	1.9
73.02959	1.0
75.00877	5.2
76.46008	0.5
85.02954	22.8
87.00881	3.0
89.02459	1.9
95.01402	5.8
99.00886	7.6
103.00382	2.2
110.00089	4.5
113.02456	26.6
114.02740	0.5
115.00379	1.7
117.01945	2.7
119.01412	1.3
129.01939	1.7
135.00896	1.0
137.02466	1.4
137.99597	1.4
139.05510	1.2
150.55731	0.5
157.01337	0.6
163.00381	16.7
164.00705	0.5
165.99088	4.7
171.04543	1.3
172.05252	0.5
175.02502	5.1
184.05287	3.5
195.04497	1.3
196.05307	2.8
197.05516	0.5
198.03209	3.0
211.04066	1.6
212.04723	1.4
223.04039	1.3
224.04741	2.1
239.03473	4.2
240.04294	2.0
267.03015	3.4
268.03772	100.0
269.04092	5.9
281.13885	0.5
283.06137	52.1
284.06473	4.0
383.65671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67000	1.4
59.01369	3.8
61.98832	2.3
65.00309	1.4
66.42803	1.4
69.03442	1.2
71.42783	1.2
82.00623	2.0
91.01924	3.0
92.06928	1.4
93.03465	2.5
95.01382	4.1
100.38548	1.3
109.02956	11.3
110.00124	8.3
111.00877	2.6
117.03490	2.1
119.01394	2.2
119.05077	3.0
121.02945	4.4
123.04549	3.8
132.02132	1.7
133.02040	2.3
133.02975	25.7
134.03735	1.4
135.04543	24.9
136.04848	1.5
137.02454	1.7
139.04036	4.5
145.02946	4.1
145.06636	1.4
146.03770	3.7
147.04536	6.0
148.01660	1.4
149.02437	13.0
151.03969	3.6
158.03627	1.3
159.04532	3.7
161.02458	11.4
161.06133	2.3
163.00378	1.6
163.04044	2.6
164.98413	1.5
165.99170	3.0
171.04527	3.3
173.02408	3.9
173.06105	2.8
174.03232	4.9
175.03976	5.1
176.04735	1.7
177.01949	1.9
181.01433	2.5
183.04507	1.6
187.03964	4.6
187.07581	2.2
189.01906	2.8
189.05597	4.1
190.02715	3.0
190.99895	3.8
191.03487	3.9
191.07164	1.8
199.04073	4.3
201.01913	3.6
201.05586	1.8
203.03484	2.1
205.05084	4.0
211.04008	2.0
213.02003	1.3
213.09219	2.7
215.03482	6.2
216.04234	3.7
217.05083	6.0
218.02242	2.4
219.02994	25.8
225.05568	3.3
227.03523	2.3
231.02855	1.4
235.07721	1.6
237.05576	2.5
237.07692	3.7
238.06369	1.7
241.05135	2.9
243.03040	2.3
243.06392	2.0
249.07593	1.9
251.03423	3.0
252.07803	2.9
253.05045	5.7
254.05606	1.4
263.07159	2.2
265.05161	3.1
266.05728	2.2
267.10196	1.7
269.04507	4.0
271.02454	4.6
279.03180	2.4
279.06622	3.2
279.10135	2.4
280.07385	1.7
281.04654	2.0
281.07886	1.6
282.05322	2.7
283.05923	1.7
285.04037	2.1
286.04593	1.5
293.04568	2.2
294.05264	2.5
295.02753	2.2
295.06104	4.4
295.09647	2.5
297.04065	5.1
298.04803	1.7
307.06152	1.3
307.09805	3.6
308.06833	3.3
308.10291	2.0
309.11267	1.7
310.04724	4.4
311.05560	3.7
311.08911	1.5
313.06976	1.9
323.05548	5.2
323.09271	14.7
325.03589	1.7
325.07050	3.0
326.04166	2.0
339.04990	3.6
339.08820	4.5
340.09296	2.2
351.04883	2.2
351.08768	13.3
352.09320	4.9
353.10168	2.1
355.08081	1.8
359.64359	1.3
367.08362	3.6
368.09042	11.6
383.11404	100.0
384.11752	8.0
395.07703	44.7
395.12546	3.0
396.08029	3.3
397.09262	2.8
402.46902	1.4
415.10196	1.7
427.10196	50.8
428.10590	5.8
459.12787	7.9
459.25851	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59217	0.3
59.01388	3.3
65.00323	0.8
67.01902	1.6
68.99838	0.6
69.03465	4.1
71.01386	0.7
71.05582	0.6
88.98817	0.4
89.03943	0.3
93.03524	0.3
93.68748	0.3
95.01404	0.6
95.05026	0.4
97.02946	0.6
99.00890	0.8
105.03482	0.7
108.02171	0.4
109.02959	1.3
115.01843	0.4
115.03206	0.6
115.04025	9.5
117.03508	0.4
119.05038	1.1
121.02926	0.5
121.06603	0.4
123.04541	6.2
125.02442	0.6
127.04044	0.4
129.05605	1.4
132.02188	4.3
133.02972	100.0
134.03276	3.4
135.00865	0.4
135.04524	1.0
137.02547	0.3
141.01949	0.5
145.06563	0.6
147.04558	0.7
151.04002	0.6
155.07088	0.3
159.04536	0.8
159.77370	0.3
160.84262	0.4
161.02501	0.8
167.05042	0.6
170.22633	0.3
171.04607	0.6
173.02533	0.5
173.06119	0.7
175.04056	2.3
177.01950	0.6
181.05193	0.5
183.04477	0.7
187.04105	0.5
189.05476	0.5
195.04527	1.1
197.06024	0.4
199.04062	1.9
201.01935	3.9
201.05646	0.5
203.01697	0.3
203.03568	0.9
207.04610	0.5
211.03998	0.7
215.03508	0.7
217.05173	0.4
218.51021	0.3
219.02982	0.5
223.04027	2.5
224.04692	0.7
225.05573	0.8
227.03537	1.0
230.29054	0.3
231.06651	0.4
232.71156	0.3
233.04599	0.5
235.03992	2.6
239.07051	0.3
241.05247	0.5
243.02951	2.1
251.03563	2.7
252.04190	0.8
253.01300	0.5
253.05109	3.2
267.06686	0.6
269.04575	1.3
271.02518	3.7
271.06012	0.9
272.03082	0.4
275.05652	0.8
279.03036	3.0
283.06219	0.6
285.04065	0.9
285.07605	0.4
293.04538	0.4
297.03848	0.6
303.05130	5.8
305.08319	0.8
309.03925	0.3
310.04849	0.6
311.05646	9.3
312.06094	0.7
321.07730	0.8
323.05847	0.4
323.09494	0.4
325.07199	1.1
328.05896	1.6
329.06720	1.9
343.08261	3.8
349.07272	0.7
365.10300	0.7
373.79257	0.3
381.09766	0.5
383.11359	0.8
427.10797	0.5
441.11810	0.5
459.13010	74.9
460.13330	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	459.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47410	1.4
51.53093	2.0
59.01376	2.0
69.03459	6.9
69.40778	7.7
75.47739	1.7
82.00611	3.8
93.03455	5.5
95.01403	7.2
101.06136	1.8
108.02168	2.3
109.02974	10.4
110.00107	16.8
111.00889	11.2
117.03443	2.4
119.01384	3.3
119.05022	5.2
121.02969	10.1
121.06600	1.8
123.04546	7.4
125.02456	2.7
127.03966	2.0
132.02220	2.9
132.03194	1.4
133.02979	29.7
135.04523	3.7
139.04008	10.1
143.05057	2.7
145.02931	6.0
145.06592	3.3
146.03761	5.1
147.00905	3.2
147.04533	13.9
148.01654	3.9
149.02466	23.4
149.06058	4.2
151.04051	9.8
151.07597	1.8
157.02930	1.7
158.03679	2.9
159.04510	3.3
160.01720	2.4
160.05339	1.8
161.02461	8.2
161.06108	3.3
163.00375	3.3
163.04016	3.8
165.01952	3.3
170.03786	1.8
171.04529	6.3
172.05318	1.9
172.49391	1.5
173.02495	7.2
173.06113	3.0
174.03241	4.9
175.04027	13.8
175.75798	1.4
177.01964	2.7
177.05551	3.4
179.03493	2.9
183.04475	2.5
185.02419	8.2
187.04028	3.6
188.04703	4.2
189.01959	6.2
189.05566	8.7
190.02795	7.6
190.99860	2.2
191.03488	14.2
192.78581	1.5
198.03255	2.7
199.04080	8.3
201.02010	7.5
201.05656	3.9
202.02733	1.8
203.03481	5.2
205.05090	10.3
209.02673	2.1
209.06178	2.2
213.05623	3.3
214.02609	1.7
215.03531	8.4
216.04262	3.0
217.05136	7.7
217.85645	1.5
218.02199	4.7
219.03012	62.2
220.03363	2.5
221.08173	1.9
224.04803	3.4
225.05632	4.3
227.03482	6.3
237.05650	2.8
237.07700	6.6
239.03622	1.7
241.05127	2.7
242.02191	5.6
243.02997	18.4
244.03687	2.6
245.04539	2.5
249.07703	3.6
251.03473	3.3
253.01357	3.8
253.05124	5.4
253.08611	1.9
255.02975	2.4
257.00903	2.4
259.06064	4.8
261.03687	1.8
263.07086	1.9
265.05063	2.8
268.03711	1.7
269.04535	6.8
271.02518	15.2
273.04156	3.7
275.05545	2.0
279.03391	2.1
279.06671	4.4
281.04636	2.1
282.05179	1.8
283.05988	2.0
285.04120	19.1
286.04630	2.3
293.04462	2.0
295.06204	3.7
295.09665	3.7
297.04031	6.3
297.07635	5.6
298.04752	3.5
299.05737	2.3
303.05157	12.5
307.06171	3.5
307.09802	4.3
308.06839	2.8
322.04861	1.7
322.63632	1.6
323.05658	4.3
323.09265	6.0
325.03549	6.7
325.07062	3.5
327.05072	2.2
327.08780	2.1
333.07245	1.8
340.05719	2.2
349.07062	1.8
351.04910	2.7
351.08768	9.8
352.05594	2.2
355.08157	3.0
357.06091	4.8
366.03784	2.3
367.08163	4.8
368.08820	3.4
369.06158	9.0
383.11557	7.3
395.02563	2.3
395.07767	44.0
396.08212	4.3
397.09454	3.4
399.10828	11.1
415.10611	2.2
427.10376	100.0
428.10718	10.1
441.12350	3.6
459.13107	25.6
460.13147	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.5
61.98832	1.2
63.02406	1.0
65.00326	4.8
69.03455	3.1
71.01385	1.0
73.02943	0.8
75.00868	0.6
83.01395	2.9
89.02423	0.5
91.01951	0.6
95.05038	0.5
101.02480	1.0
104.47802	0.5
107.01397	7.9
109.02952	1.1
113.02522	0.9
115.04024	5.1
117.03494	1.3
117.84800	0.5
119.05037	0.8
123.04566	1.0
125.00116	1.3
125.02445	0.7
129.05620	0.8
132.02182	3.7
133.02975	93.8
134.03310	3.8
135.04535	1.9
143.04993	0.7
145.06631	1.4
147.04573	0.7
149.02525	0.6
149.06137	1.0
149.99644	0.6
150.99168	1.0
151.00386	17.7
151.03940	0.6
152.00769	0.8
165.02069	0.6
168.94695	0.5
169.06511	0.7
171.04543	1.5
172.05275	0.7
173.06189	0.6
175.04048	1.5
177.02014	3.8
183.04478	0.7
187.07661	0.8
195.04637	0.8
197.06099	1.0
198.03308	0.5
199.04097	1.3
201.01894	1.7
201.05548	0.9
201.11308	0.5
211.03999	0.6
211.07684	1.4
211.59908	0.6
213.05600	4.0
223.04070	1.1
225.05609	1.1
228.58676	0.5
235.04015	2.6
251.03517	1.8
253.01526	0.6
253.05171	4.2
255.06659	46.6
256.06998	3.7
262.92795	0.7
269.04572	1.1
279.03110	2.4
279.06558	1.1
283.02655	0.6
285.04288	0.6
285.07764	0.8
297.04446	0.7
297.07681	1.7
308.43228	0.5
310.04782	0.6
311.05722	4.8
328.05841	0.7
329.06937	1.0
343.08194	2.3
352.05536	0.5
355.08231	0.7
378.47247	0.6
383.11249	1.2
397.09869	0.6
441.11679	0.6
459.13016	100.0
460.13339	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	459.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	41.9
65.00320	1.1
68.99803	1.1
69.03458	0.8
69.13898	1.0
69.14299	3.5
71.01389	6.8
73.02959	4.6
74.69915	0.6
74.99142	0.8
75.00894	1.1
75.52037	0.7
83.01391	1.9
85.02973	1.6
85.78895	0.6
87.00878	0.9
88.98797	0.7
89.02450	2.7
95.01405	1.5
97.02933	1.3
97.06618	1.2
99.00883	1.1
101.02470	4.3
109.02969	8.3
113.02481	3.2
117.03503	1.1
119.03537	0.9
121.06625	0.7
127.04060	1.3
132.02196	3.3
133.02974	99.4
134.03262	3.5
135.04526	1.9
139.04050	0.7
145.02942	1.0
145.06616	2.0
151.04010	1.0
161.02458	2.7
161.04608	1.3
161.06070	1.4
163.04008	0.9
165.05598	1.5
171.04576	0.9
173.02556	0.8
174.03221	0.7
175.04016	5.0
177.01930	1.1
179.03613	0.7
185.02449	0.7
185.06090	0.6
187.04124	1.3
187.07715	1.0
188.04736	0.7
189.05620	2.1
198.03262	1.3
199.03972	3.9
201.01968	7.5
203.07162	1.0
204.28809	0.6
205.05052	0.8
207.06596	0.7
209.08278	1.6
213.05666	1.1
215.03384	0.9
217.05005	1.0
221.04607	1.4
221.08209	1.4
224.04767	1.2
225.05687	0.8
227.03534	1.1
227.07219	1.1
231.06702	3.0
237.05566	1.1
237.07687	1.0
239.03598	1.0
242.02214	0.8
243.02985	2.6
245.08340	1.1
247.06209	1.3
249.05481	0.8
250.06392	0.8
251.03513	2.3
253.05263	1.0
253.08585	1.0
255.06644	1.0
257.04724	1.3
259.05978	0.7
263.07175	0.8
264.04297	2.3
265.04898	1.5
266.05746	0.9
267.06708	1.0
268.03769	2.1
271.02759	1.3
271.06161	0.8
275.05746	2.5
279.03622	0.8
279.06696	3.0
281.08307	2.0
292.03741	1.6
293.08020	0.9
295.02634	0.8
295.06235	1.1
295.09998	1.5
297.00409	2.3
297.04468	1.0
297.07611	6.0
297.10501	0.8
299.09543	1.1
303.05112	0.9
307.06097	4.4
309.04138	4.9
310.04837	0.8
311.05682	0.9
321.07895	1.1
321.20779	1.3
323.05682	9.1
323.09244	1.9
324.06354	1.7
325.07288	0.9
329.03131	0.9
338.04434	1.2
339.08823	2.3
341.10593	0.7
351.08929	1.4
355.08237	11.0
356.08252	0.9
367.08246	8.4
369.10428	0.9
381.09991	1.4
395.07672	1.0
397.09125	1.2
399.10928	8.5
400.11414	1.1
404.74167	0.8
427.10358	57.3
428.10779	6.7
441.11908	2.0
459.13028	100.0
459.21640	3.5
460.13351	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	459.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30197	0.6
59.01384	10.5
61.98826	0.8
69.22131	3.0
71.01389	7.6
72.99319	0.6
73.02937	1.6
78.26616	0.6
79.95748	0.8
82.60529	0.5
83.01392	0.6
85.02953	3.2
89.02444	5.4
96.10025	0.5
96.96030	8.1
96.96955	0.8
98.21877	1.4
99.00878	1.0
101.02439	4.8
106.50723	0.7
109.02985	0.7
113.02473	3.1
116.39510	0.5
117.03475	23.5
118.03796	0.8
119.03538	1.9
119.05032	23.2
120.05431	0.8
123.04530	1.8
133.02943	3.3
133.05089	0.6
133.06580	2.7
135.04538	2.3
145.02966	100.0
146.03336	4.2
147.04582	0.9
151.04060	1.3
151.06125	2.7
161.02448	14.2
161.04852	0.9
161.06110	6.6
163.04021	35.1
164.04337	1.2
167.03519	3.8
177.05585	3.6
179.03528	1.0
193.45116	0.7
205.05045	10.1
206.05519	0.6
218.40347	0.6
227.38522	0.6
235.06140	2.7
239.03479	0.6
265.07123	6.5
268.03766	1.0
283.02505	2.1
299.05621	0.9
301.03589	1.0
307.08224	0.6
325.09238	1.4
417.43454	0.7
459.15088	74.3
460.15509	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	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15067	0.7
55.01869	0.7
57.03413	0.5
59.01384	20.2
59.03140	0.5
62.13670	0.6
67.71606	0.5
69.03428	0.8
69.30891	1.2
69.31293	2.5
71.01389	11.1
71.66212	0.5
73.02953	3.5
74.02474	0.7
83.01411	1.1
85.02945	2.7
87.00848	1.0
89.02449	8.7
89.03914	0.6
95.01380	1.0
96.86678	0.5
97.02945	0.7
98.21882	1.2
99.00889	7.4
101.02447	6.8
105.03490	0.7
113.02464	3.6
117.03470	2.3
119.03514	1.5
119.05062	0.9
121.05060	4.1
128.03584	1.4
129.10341	0.7
131.03490	1.2
132.02179	19.4
133.02942	1.8
134.03755	36.3
135.04312	1.2
137.02448	0.7
149.02385	0.6
149.04623	4.3
149.06052	4.8
160.01669	87.9
161.02074	3.3
161.04558	1.2
162.03229	7.1
166.06337	0.8
167.05797	0.6
175.04013	100.0
176.04355	4.8
177.05585	9.5
178.02692	1.4
179.03540	0.7
191.05574	2.1
191.07132	2.1
192.04300	0.7
193.05069	49.2
194.05353	2.8
203.05659	1.5
205.05000	0.8
223.06091	1.4
233.06673	1.0
235.06111	5.0
257.00443	0.6
265.07053	1.3
277.07181	0.6
283.02472	2.0
283.10309	0.8
295.08374	1.2
316.67966	0.6
337.09293	1.1
417.27045	0.7
459.15112	73.4
460.15399	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	459.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01718	0.9
61.01806	0.8
61.31333	0.6
61.98836	6.5
65.00358	0.6
69.21691	3.9
71.01401	4.3
73.02958	4.7
78.03666	0.6
82.23419	0.6
83.01414	1.1
85.02978	2.6
87.00903	0.9
89.02474	2.1
95.01490	0.9
97.02959	0.8
101.02466	4.5
107.05066	1.1
109.02986	2.2
111.00901	0.9
113.02494	2.1
119.05073	1.8
132.02260	0.8
133.02968	19.9
134.03317	0.8
135.04561	1.7
135.31488	0.6
136.98830	0.6
147.04536	0.8
149.06187	2.1
161.02547	0.9
161.04605	0.9
161.06163	0.7
163.07826	0.6
172.16617	0.6
175.04077	1.4
177.01996	0.8
189.05710	1.4
199.04189	0.8
201.02005	1.7
215.03647	0.7
217.05014	0.6
217.32103	0.6
231.06552	0.8
243.17467	0.6
253.05075	0.8
255.10345	1.7
255.16196	0.6
275.05893	0.9
281.08292	0.7
297.00427	0.8
297.07520	0.9
306.79001	0.8
319.14154	0.7
321.20892	1.2
333.17334	1.2
351.09021	0.8
357.19211	1.3
365.06885	0.9
367.08408	1.2
369.06143	1.1
372.23215	1.1
377.16150	6.6
378.16696	0.8
397.04089	1.5
399.10886	2.0
417.21429	1.4
427.10394	13.2
428.10782	1.5
441.20551	0.8
459.13257	18.3
459.22879	18.1
460.13519	2.0
460.23413	2.5
466.50021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	1.3
62.82735	0.4
63.38708	0.5
71.01385	9.4
72.99339	0.6
73.02953	6.7
83.01406	1.7
85.02959	3.4
85.14011	0.6
87.00891	0.6
89.02452	7.3
95.01408	0.7
99.00881	0.5
101.02444	6.7
113.02462	9.0
113.13466	0.5
119.03510	3.0
131.03516	0.9
136.50021	0.5
136.98888	0.8
143.03540	1.0
157.31268	0.5
161.04584	2.2
179.05673	1.3
196.73441	0.5
200.14124	0.5
255.03081	2.1
281.86606	0.5
283.02640	2.0
284.02936	0.6
285.03595	0.7
338.24182	0.6
372.23199	0.8
398.65640	0.6
399.24152	1.7
417.25143	1.9
459.25958	3.6
460.25656	0.7
471.45966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82255	0.5
55.01878	0.8
57.03445	1.5
59.01385	100.0
60.01717	0.7
65.00340	0.8
70.73209	0.5
71.01386	15.0
72.01728	0.7
72.99329	0.6
73.02951	6.3
73.93777	0.5
78.95930	0.7
83.01405	2.0
84.02085	0.4
85.02953	6.7
86.00092	0.4
87.00935	1.2
87.04527	1.0
89.02456	5.0
95.01414	1.9
97.02964	1.0
99.00922	2.1
101.02450	11.0
101.06095	0.5
103.00388	0.5
107.02831	0.5
109.03015	1.3
111.00919	1.7
112.18656	0.4
113.02459	8.3
113.03169	0.8
117.03503	0.7
119.03527	1.5
119.05043	0.5
125.02477	1.1
128.03606	0.9
132.02202	0.7
133.02968	11.7
133.03885	0.9
135.04549	2.5
143.03549	1.3
161.02521	0.7
161.04559	4.3
163.00435	0.7
166.99928	0.6
169.17879	0.5
175.02553	0.5
175.04094	1.1
177.02029	0.8
179.05698	0.6
187.04185	0.6
199.04036	1.0
201.02025	1.3
211.04175	0.6
231.06674	0.7
232.32919	0.5
233.12051	0.6
237.07721	0.7
243.03206	1.0
255.03011	0.5
255.06752	1.0
255.19798	0.7
268.03748	5.0
269.04388	0.8
275.05746	1.9
283.06155	3.1
297.07800	1.5
318.42593	0.6
320.28464	0.6
323.09140	0.7
367.08475	0.8
381.22986	1.5
399.10803	2.8
399.23987	4.4
400.23428	0.6
417.25211	4.5
423.22348	3.8
427.10339	12.2
428.10825	1.3
459.12952	9.1
459.22293	4.3
460.13449	0.8
460.22601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82255	0.5
55.01878	0.8
57.03445	1.5
59.01385	100.0
60.01717	0.7
65.00340	0.8
70.73209	0.5
71.01386	15.0
72.01728	0.7
72.99329	0.6
73.02951	6.3
73.93777	0.5
78.95930	0.7
83.01405	2.0
84.02085	0.4
85.02953	6.7
86.00092	0.4
87.00935	1.2
87.04527	1.0
89.02456	5.0
95.01414	1.9
97.02964	1.0
99.00922	2.1
101.02450	11.0
101.06095	0.5
103.00388	0.5
107.02831	0.5
109.03015	1.3
111.00919	1.7
112.18656	0.4
113.02459	8.3
113.03169	0.8
117.03503	0.7
119.03527	1.5
119.05043	0.5
125.02477	1.1
128.03606	0.9
132.02202	0.7
133.02968	11.7
133.03885	0.9
135.04549	2.5
143.03549	1.3
161.02521	0.7
161.04559	4.3
163.00435	0.7
166.99928	0.6
169.17879	0.5
175.02553	0.5
175.04094	1.1
177.02029	0.8
179.05698	0.6
187.04185	0.6
199.04036	1.0
201.02025	1.3
211.04175	0.6
231.06674	0.7
232.32919	0.5
233.12051	0.6
237.07721	0.7
243.03206	1.0
255.03011	0.5
255.06752	1.0
255.19798	0.7
268.03748	5.0
269.04388	0.8
275.05746	1.9
283.06155	3.1
297.07800	1.5
318.42593	0.6
320.28464	0.6
323.09140	0.7
367.08475	0.8
381.22986	1.5
399.10803	2.8
399.23987	4.4
400.23428	0.6
417.25211	4.5
423.22348	3.8
427.10339	12.2
428.10825	1.3
459.12952	9.1
459.22293	4.3
460.13449	0.8
460.22601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2908
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
52.79446	0.9
71.10948	1.2
94.95539	0.8
107.05042	30.0
108.05399	1.2
111.29037	0.8
121.60403	0.8
126.20721	0.9
134.84125	0.8
135.06308	1.0
158.89287	0.8
163.11301	100.0
164.11630	3.9
268.03757	3.0
277.39590	0.9
283.06186	1.8
283.17068	30.6
284.17447	2.4
295.17047	16.0
296.17236	1.7
318.39059	0.9
459.29074	78.1
460.29416	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	460.089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14254	3.2
59.01087	5.0
59.01384	100.0
61.98837	13.0
71.01385	26.7
71.43339	4.5
73.02954	23.4
84.64855	3.4
85.02960	4.4
89.02440	12.3
101.02448	16.7
113.02486	11.1
115.04023	7.2
117.03439	5.3
118.89973	4.6
119.03503	7.8
119.05051	6.6
126.65362	3.4
132.76155	3.3
133.02899	5.6
135.04523	3.8
140.25711	3.5
162.04854	3.6
165.99052	4.7
179.98634	3.4
199.04034	9.9
223.94807	3.6
243.02979	3.8
285.04010	20.0
299.01974	15.6
397.09366	36.7
418.17490	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	461.0726
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
52.95321	0.5
55.01868	0.7
57.03444	3.0
59.01382	35.9
65.00328	17.1
67.01875	1.2
69.03475	1.0
71.01387	21.8
71.41744	0.5
72.99313	38.4
73.02950	12.7
73.98325	1.3
75.00869	1.4
79.95741	18.1
80.96509	1.4
83.01389	2.0
85.02956	23.3
87.00847	1.3
89.02451	13.0
93.03471	0.6
95.01405	5.4
96.96004	1.3
99.00889	2.3
101.02446	11.4
102.99730	0.9
103.00384	13.4
103.04060	0.6
103.16779	0.5
107.01384	0.6
108.99268	1.4
109.02953	1.0
110.00128	1.4
110.02429	0.4
111.00889	2.3
113.02459	37.8
114.02789	0.7
117.03462	0.5
119.03523	0.6
119.05038	1.9
123.00887	0.8
123.04504	2.6
129.01941	1.3
131.03513	11.5
133.01443	3.5
135.04512	1.4
136.01747	0.5
136.94690	0.5
136.98807	4.8
137.02461	0.8
137.99638	0.9
139.00421	2.4
141.01956	3.6
149.04608	0.6
151.00327	1.5
151.03918	0.6
152.01198	1.2
153.01941	1.0
157.01472	2.5
159.04590	0.8
161.02446	1.9
163.02495	2.3
164.98253	1.3
165.05632	0.5
165.99081	1.1
166.02713	1.6
167.03502	6.6
167.04892	0.7
171.04536	1.1
175.02492	4.4
180.97778	8.8
181.05130	0.9
181.98135	0.8
181.99521	4.7
193.03543	100.0
194.02271	0.9
194.03865	3.0
195.06458	0.6
199.04025	1.5
202.35307	0.5
209.04543	7.7
211.04291	1.8
213.05516	0.6
221.97354	18.4
241.05045	2.8
267.02979	2.0
269.06738	1.6
283.02481	0.7
284.03268	10.0
285.04065	20.5
286.04498	1.6
299.05585	0.7
303.05112	2.0
311.09827	0.8
357.08322	1.2
363.99005	0.7
364.99756	3.2
371.09537	0.7
394.77332	0.6
461.07138	1.6
461.12576	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90041	0.8
59.01405	1.4
61.98833	0.9
65.00330	24.9
69.09885	4.5
71.01371	1.0
75.00881	3.1
79.42117	0.8
85.02959	2.0
87.00923	1.0
89.63185	0.8
92.99827	3.7
95.01415	1.2
96.99318	6.0
108.99319	2.0
110.00115	5.5
111.00886	7.2
113.02454	3.8
119.05037	54.7
120.05395	1.7
120.99333	3.1
130.25450	0.8
135.03000	3.8
136.98814	29.7
139.00392	14.1
143.05052	1.7
150.03326	1.1
164.98306	72.7
165.05594	1.5
165.99086	10.9
175.02470	1.4
178.99893	1.6
181.05112	1.1
185.06020	1.7
187.04019	4.1
197.06186	1.5
199.04024	1.5
204.97743	2.8
215.03305	0.8
231.70583	0.8
257.04523	6.5
285.04068	100.0
286.04471	6.7
315.03790	1.1
325.03574	5.0
461.07401	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	461.073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01376	2.5
65.00324	2.5
67.32528	0.3
69.48485	1.5
71.01389	2.4
72.99289	0.4
73.02930	0.4
75.00878	0.9
83.01395	0.4
84.40932	0.3
85.02946	3.3
87.00922	0.3
89.02461	0.5
95.01392	1.3
99.00887	1.2
107.01394	1.0
110.00119	0.3
111.00883	2.3
113.02462	4.7
115.00396	0.5
117.03461	0.7
119.05050	5.2
120.05307	0.4
121.02995	0.4
123.00876	0.5
124.38106	0.3
125.09674	0.3
133.02975	3.0
136.98817	2.2
139.00395	3.9
143.05003	0.4
149.02452	0.7
151.00398	2.3
157.06583	0.5
159.04488	0.4
161.02443	0.5
164.98300	3.9
165.99033	0.6
166.99881	0.8
167.05013	0.4
169.06613	0.4
171.04529	0.7
175.02612	0.6
175.04041	1.1
181.99605	0.4
183.04413	0.7
185.06058	1.6
187.03984	0.6
192.00668	0.4
195.04578	0.8
199.04013	1.2
201.01862	0.3
211.04073	1.2
213.05530	1.2
215.03416	0.5
217.05040	0.8
223.04007	0.9
229.05078	0.5
239.03487	1.9
240.04295	0.6
241.05016	0.9
255.03140	0.3
257.04492	0.7
267.02963	0.9
275.76483	0.3
283.02533	0.6
284.03262	1.2
285.04062	100.0
286.01450	0.3
286.04395	7.0
321.14670	0.3
381.18985	0.4
461.07242	8.2
462.07584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01387	3.6
65.00317	1.9
67.01881	0.5
67.34319	0.3
68.99815	0.3
69.60070	0.5
71.01385	2.4
72.99310	0.5
73.02950	0.4
75.00864	0.9
84.11053	0.3
85.02956	2.9
87.00875	0.8
89.02494	0.3
93.60577	0.3
95.01402	2.1
96.99294	0.5
98.22662	0.7
99.00891	1.3
101.02471	0.4
103.00340	0.5
107.01408	0.5
110.00088	0.7
111.00895	4.6
113.02464	4.5
115.00358	0.5
117.01961	0.8
117.03478	1.1
119.05049	5.2
123.00889	1.0
125.02460	0.4
133.02966	2.8
135.04518	0.6
136.98799	2.5
137.02446	3.1
139.00392	6.1
143.05049	0.9
149.02464	0.4
151.00449	1.6
157.06610	0.7
159.04544	0.4
161.02457	3.8
164.98303	2.5
165.01892	0.3
165.99037	0.5
166.99927	1.5
167.04990	0.9
169.06642	0.5
171.04533	0.9
173.06148	0.5
175.02505	0.9
175.03973	0.6
178.99951	0.3
183.04535	0.3
183.13751	0.3
183.15913	0.3
185.06033	1.2
187.04015	0.4
192.00711	0.4
195.04468	0.7
199.03967	0.9
211.04015	1.3
213.05606	1.7
217.05075	0.7
223.04036	0.8
229.05078	0.5
239.03441	2.3
240.04205	0.4
241.05003	1.1
252.70007	0.4
255.02846	0.4
257.04535	0.8
265.18176	0.4
267.03012	1.6
268.03650	0.3
283.02441	0.8
284.03293	1.3
285.04071	100.0
286.04407	5.9
299.07761	0.4
381.19031	0.4
435.55997	0.4
461.07300	8.7
461.14536	2.0
462.07513	0.5
462.22992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31651	0.3
57.03455	0.5
59.01384	2.9
59.81673	0.3
65.00319	1.1
67.06693	0.3
68.99822	0.5
69.15337	1.2
69.15743	0.8
69.26510	0.3
69.63188	0.3
71.01378	1.9
73.02932	0.3
75.00873	0.9
83.01398	1.1
85.02953	4.5
85.03418	0.5
87.00857	0.7
88.79993	0.4
89.02459	0.5
95.01409	3.0
96.99329	0.3
99.00876	2.0
103.00375	1.0
107.01419	0.5
110.00126	0.4
111.00888	8.8
113.01730	0.5
113.02465	6.2
113.03246	0.3
117.03477	1.8
119.05032	5.3
120.41313	0.4
122.36676	0.3
123.00887	1.9
125.02463	1.8
131.05013	0.4
133.02957	0.7
136.98811	1.7
137.02446	0.5
139.00391	10.2
143.05040	1.3
151.00398	1.8
161.02457	1.5
164.98291	1.2
165.01945	0.8
166.99866	4.3
167.04999	0.7
169.06543	0.8
171.04498	1.3
173.06056	0.5
175.02487	1.7
178.99913	0.4
185.06128	2.0
187.04054	0.3
192.00682	0.5
195.04526	1.2
197.06129	0.4
198.03291	0.4
199.04050	1.2
211.04025	0.8
213.05597	1.1
217.05069	1.3
223.03998	1.5
239.03596	0.5
241.05109	0.8
242.02200	0.3
243.02931	0.9
267.03067	1.2
274.67749	0.4
285.04068	100.0
286.04413	7.7
299.05734	0.7
327.05023	0.7
461.07468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53846	0.9
53.96783	1.0
59.01418	1.0
65.00333	33.1
69.41825	5.1
71.01363	1.3
75.00861	1.2
75.74311	1.1
79.85471	1.0
85.02921	1.5
86.24776	1.0
92.99815	5.3
96.99326	8.4
108.99338	2.4
110.00113	6.5
111.00892	10.4
113.02458	3.2
117.14558	1.2
119.05042	64.5
120.05404	2.5
120.99328	3.4
136.98819	38.4
139.00397	16.6
143.04947	1.6
146.80107	1.2
164.98306	86.1
165.99071	12.8
169.06592	1.3
187.03986	4.7
197.06058	1.6
199.03946	1.2
215.92308	1.1
232.56154	1.4
241.04861	1.4
257.04642	7.4
285.04071	100.0
286.04416	7.2
377.36057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62659	0.3
59.01382	2.6
63.02404	0.8
65.00333	1.5
71.01379	2.2
72.99314	0.3
75.00874	0.9
76.82935	0.3
83.01367	0.7
85.02960	2.9
87.00894	0.8
89.02450	0.6
95.01397	1.0
98.22692	0.9
99.00867	1.6
99.42313	0.3
103.00417	0.4
105.03485	0.4
107.01399	1.2
109.02972	0.5
113.02457	4.7
115.00392	0.6
117.01962	0.7
117.03465	0.5
119.05055	1.6
121.02969	0.7
133.02951	4.9
136.98834	1.0
139.00357	0.5
149.02460	1.4
151.00378	3.1
157.06511	0.4
164.98320	1.5
165.99106	0.4
171.04515	0.5
175.02490	1.3
175.04018	1.5
181.49101	0.4
185.06099	1.0
198.03351	0.4
199.04060	1.8
201.01991	0.6
211.04088	0.8
213.05644	0.9
217.04993	0.7
229.05331	0.5
239.03561	1.0
241.05075	1.1
243.03004	0.5
257.04611	0.6
267.03040	0.6
284.03491	0.6
285.04071	100.0
286.04407	8.0
327.05051	0.5
357.06186	0.4
461.07318	5.9
462.07697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82436	0.1
54.18990	0.1
55.01870	0.2
55.56123	0.1
57.03443	0.3
59.01388	2.9
65.00317	0.4
67.01893	1.2
68.99829	0.2
69.24676	0.3
69.25082	0.5
70.73284	0.1
71.01031	0.2
71.01390	2.3
72.99322	0.7
73.02937	0.3
75.00877	1.2
85.02466	0.2
85.02955	2.7
87.00885	0.9
89.02434	0.4
89.30128	0.1
93.03434	0.4
95.01396	1.3
97.02941	0.4
99.00896	1.2
101.02419	0.2
103.00379	0.5
110.00087	0.3
111.00857	0.4
113.02460	5.4
114.02770	0.2
115.00410	0.7
117.01944	0.5
117.03464	1.5
119.01355	0.1
119.05031	0.6
123.00886	0.3
127.52973	0.1
129.01971	0.4
131.05099	0.1
133.01399	0.1
133.03012	0.3
135.00841	0.2
136.98817	0.5
137.02466	0.7
139.00406	0.8
143.05060	1.0
145.02950	2.1
156.99489	0.2
157.06581	0.7
159.04533	0.3
161.02492	0.2
161.06042	0.2
163.00394	1.2
164.01135	0.2
165.01915	0.7
165.99080	0.2
166.99844	0.4
167.05063	0.4
168.05629	0.2
169.06656	0.9
171.04546	1.9
173.06104	0.2
175.02509	2.0
182.03613	0.1
183.04538	0.3
184.05235	0.2
185.06084	2.6
186.06383	0.2
187.04019	4.6
188.04430	0.2
189.05609	0.5
190.99881	0.4
192.00674	0.9
195.04514	0.3
196.05135	0.2
197.06079	0.8
199.04007	0.7
201.05582	0.6
211.04044	0.9
212.04665	0.3
213.05588	6.7
214.05977	0.3
215.03571	1.5
217.05090	0.4
223.04019	0.3
225.27710	0.1
229.05072	2.2
239.03502	1.3
240.04190	0.8
241.05049	3.0
242.05545	0.2
243.03075	0.3
255.03006	0.9
256.03833	0.6
257.04562	1.7
267.02930	0.3
283.02444	1.2
284.03317	2.5
285.04062	100.0
286.04401	7.2
286.07632	0.3
327.05005	0.2
343.78552	0.1
399.07394	0.7
461.07315	10.5
462.07687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23917	0.3
53.41519	0.4
59.01390	2.7
59.06423	0.4
65.00309	1.1
68.99819	0.7
71.01379	1.6
75.00903	0.6
83.01427	0.6
85.02964	3.0
93.03455	0.7
95.01379	2.6
98.21881	0.8
99.00898	1.6
103.00340	0.6
107.01435	0.5
111.00900	8.5
113.02465	5.4
117.03499	1.0
119.05035	5.4
123.00866	1.1
125.02431	1.0
129.02020	0.6
133.02982	0.8
135.04524	0.7
136.98816	1.9
137.02452	0.7
139.00392	11.0
143.05023	0.7
151.00375	2.4
161.02509	1.0
164.98299	1.4
166.99879	2.8
169.06618	1.2
171.04532	1.2
173.06108	0.6
175.02512	1.1
185.06068	1.3
187.03992	0.6
192.00648	0.6
195.04558	1.3
197.06065	0.8
199.03973	0.6
200.97218	0.5
211.03992	1.1
213.05630	1.4
217.05188	0.6
223.04018	1.7
239.03554	1.4
241.05038	0.6
257.04587	0.7
257.26273	0.4
267.03012	1.1
285.04068	100.0
286.04404	6.5
461.07126	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.6
65.00333	0.6
67.01899	1.0
68.99821	0.4
69.44547	2.1
71.01388	4.2
72.99302	0.7
73.02946	0.9
74.99053	0.4
75.00876	1.1
75.26359	0.4
80.59400	0.4
83.01391	0.6
85.02958	4.5
87.00875	1.4
88.11373	0.4
88.98837	0.4
89.02454	0.8
95.01385	1.7
97.02977	0.4
99.00886	1.6
101.02451	0.9
103.00417	0.6
111.00871	0.6
113.02458	5.1
115.00397	0.8
117.03488	2.2
119.05022	1.5
123.00860	0.4
133.03004	1.1
135.00914	0.8
135.04541	3.1
136.98824	0.7
137.02411	0.7
139.00383	1.3
143.05080	1.4
145.02957	1.9
152.03508	0.5
157.06587	0.5
159.04523	0.6
161.02463	1.6
163.00386	1.3
164.01108	0.5
164.98222	0.8
165.01917	0.7
165.99045	0.6
167.05002	0.6
169.06624	0.8
171.04532	2.0
175.02489	1.6
185.06070	2.7
187.04037	4.0
192.00710	1.0
195.04486	0.8
196.02541	1.4
197.06018	1.2
199.03932	0.8
201.11372	0.5
211.03989	1.0
213.05563	6.2
213.15131	0.7
215.03554	1.4
217.04997	0.5
229.04994	2.1
239.03577	1.4
240.04260	1.1
241.05051	3.5
243.02895	0.6
247.13698	1.9
255.03056	1.5
257.04578	1.4
267.03009	0.6
269.04550	1.3
271.02377	0.4
283.02563	2.2
284.03271	2.8
285.04065	100.0
286.04419	6.7
367.59088	0.5
401.12646	0.8
401.47147	0.5
461.07037	10.5
461.18307	0.6
461.24048	1.4
462.07611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0732
Annotation	Isoscutellarein 8-glucuronide
Peak:m/z	Relative Intensity
57.03451	0.8
58.83452	0.4
59.01389	4.4
59.41279	0.5
65.00327	1.2
67.01892	0.9
71.01381	2.8
72.99316	0.8
75.00866	0.7
76.06102	0.4
79.01073	0.3
85.02960	4.2
87.00883	1.3
89.02456	0.8
93.03467	0.5
94.36593	0.4
95.01383	1.6
96.96023	4.1
99.00903	1.7
101.02488	0.4
103.00400	0.7
105.64370	0.4
107.01421	0.4
111.00901	0.5
113.02461	5.6
115.00322	0.5
117.03484	1.6
119.05055	2.9
129.02040	0.4
133.02954	0.7
135.00931	0.3
135.04550	0.9
136.98813	0.9
137.02505	0.6
138.53824	0.3
139.00410	1.1
143.05061	0.8
145.02998	1.5
151.00346	0.5
157.06616	0.7
159.04547	0.5
163.00407	1.0
164.01105	0.4
164.98274	1.3
166.99857	0.6
167.05006	0.4
169.06636	0.5
171.04535	1.5
172.11203	0.4
175.02560	1.9
185.06108	2.9
187.04045	3.4
189.05652	0.4
190.99904	0.5
192.00714	0.4
197.06104	0.9
199.04063	0.9
201.05618	0.4
211.04109	1.1
213.05603	4.4
215.03513	1.0
217.05132	0.7
229.05125	1.1
239.03433	2.1
240.04253	0.8
241.05042	3.0
255.03047	0.9
256.03812	0.5
257.04581	1.5
266.99588	0.4
267.02890	0.8
283.02594	1.7
284.03226	2.6
285.04083	100.0
286.04419	7.9
305.32468	0.4
363.18188	0.4
381.19223	1.0
399.07401	0.5
412.35583	0.4
461.07367	9.4
461.14664	1.3
462.07578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0734
Annotation	Isoscutellarein 8-glucuronide
Peak:m/z	Relative Intensity
55.01869	0.4
57.03437	1.1
59.01383	12.7
61.02145	0.4
61.98834	1.2
65.00314	1.8
67.01891	1.3
71.01392	6.9
71.42029	0.4
72.99316	1.1
73.02942	1.3
75.00881	1.3
82.00649	0.4
83.01411	0.7
85.02959	5.0
87.00866	1.7
89.02465	4.6
95.01414	1.8
97.02962	0.6
99.00925	2.0
101.02444	1.7
103.00393	0.6
107.01464	0.7
110.00101	0.5
111.00872	0.6
113.02458	8.5
114.02869	0.7
115.00381	0.4
117.03466	1.5
119.05026	3.4
125.02483	0.8
129.02013	0.4
131.03526	0.9
133.02974	1.0
135.04539	0.5
136.98822	1.8
137.02396	0.6
139.00386	1.3
143.05048	1.0
145.02959	1.5
149.04549	1.1
151.00371	0.9
163.00443	0.8
164.98276	1.6
165.01891	0.6
165.99115	1.0
167.05003	1.1
167.10793	4.5
169.06606	0.6
171.04509	1.4
175.02501	1.9
183.04515	0.5
185.06082	1.7
187.04007	2.4
189.05533	0.5
190.99774	0.5
192.00787	0.6
195.04500	0.6
197.06070	0.8
199.03976	0.5
211.04083	1.4
213.05551	3.8
215.03546	1.2
229.05067	1.3
239.03537	1.6
240.04179	0.7
241.05057	1.6
255.02982	0.9
255.06581	0.5
256.03708	1.1
257.04535	1.5
267.02960	1.0
268.03690	1.0
269.04111	0.6
270.04666	0.6
283.02518	1.5
284.03387	4.0
285.04065	100.0
286.04434	6.5
293.08859	0.8
299.05630	4.9
327.05008	0.4
399.07388	0.6
401.21567	0.5
403.04642	1.1
419.23041	1.2
461.07120	9.3
461.24023	7.9
462.07700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1094
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
57.54690	0.6
59.01384	3.2
61.98839	11.1
65.00331	3.1
68.99861	0.6
69.20528	3.8
74.18552	0.7
74.22534	0.7
85.02981	1.6
92.99837	2.1
95.01383	1.3
101.02434	0.8
106.32188	0.6
110.00111	1.8
110.14692	0.6
113.02515	1.3
117.03483	6.7
119.05056	0.9
120.99345	3.0
133.02960	0.7
135.00887	1.2
136.98817	6.5
159.04539	1.3
161.02461	5.7
163.00386	6.3
164.01198	0.9
164.98351	1.3
165.99142	1.8
171.04526	1.3
183.04564	2.4
185.06154	1.1
187.04030	7.7
195.04720	0.7
200.04825	0.9
211.03937	3.8
212.04713	1.8
214.02776	1.5
227.03618	3.4
228.04208	1.4
239.03580	1.3
241.01744	0.8
255.02998	41.3
256.03595	3.4
270.01849	2.3
271.02493	1.3
282.99780	1.0
283.02505	69.2
284.03281	80.5
285.04022	31.6
286.04572	1.3
298.01273	1.2
298.04651	0.9
299.02344	1.5
299.05600	26.5
299.09000	1.3
300.06046	1.9
341.06796	1.2
446.08621	11.5
447.08844	1.1
461.11136	100.0
462.11517	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82532	0.6
59.01301	2.6
59.01570	0.8
64.58109	0.7
65.00249	6.6
71.04459	0.8
82.00551	0.8
85.02858	2.4
87.79567	0.7
88.60259	0.7
92.81869	0.7
92.99814	0.9
93.03398	1.0
95.01324	1.7
96.99290	1.2
99.00745	1.1
99.42090	0.8
110.00094	11.7
111.00916	4.5
113.02477	3.4
114.69631	0.8
117.03384	2.0
119.05040	5.2
123.00798	1.7
124.01620	1.4
125.02376	1.5
126.05654	0.8
133.02960	1.8
136.98822	12.9
137.02386	0.9
137.99622	5.1
139.00395	6.5
143.04961	1.7
151.00278	2.0
152.01003	1.6
157.06581	1.0
159.04416	1.1
161.02324	3.0
163.00340	1.0
164.01024	1.3
164.98315	11.0
165.01917	0.9
165.97836	1.0
165.99071	12.7
166.61018	0.7
166.99713	2.3
167.04921	1.5
170.03670	1.2
171.04495	1.1
173.06087	0.8
178.99805	0.8
180.00450	1.1
183.04558	6.7
185.02429	6.0
185.06001	1.1
187.03937	2.0
199.03879	0.9
200.04784	1.0
211.04100	4.5
212.04672	2.8
213.01913	1.0
214.02650	1.8
215.03604	0.8
223.04007	1.2
227.03413	3.0
239.03439	4.2
240.04138	1.1
241.05046	1.4
255.02983	15.3
267.02988	3.7
268.03723	0.9
269.04758	0.9
283.02505	53.0
284.03262	90.9
285.04034	71.6
285.07422	1.6
286.04440	4.6
297.04050	2.0
298.01349	1.2
298.04730	2.0
299.05606	100.0
300.05936	7.5
341.06720	2.7
356.32712	0.8
446.08554	6.2
461.11130	48.0
462.11420	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	0.7
59.70418	0.4
61.22469	0.4
61.77769	0.4
65.00372	1.2
71.41195	0.6
72.99330	0.4
77.88721	0.4
82.00652	1.2
85.02982	0.8
92.99850	0.6
93.03508	0.9
95.01412	1.1
96.99354	0.5
99.00929	0.6
103.00396	0.5
105.03604	0.4
110.00105	12.8
111.00943	2.5
113.02448	2.0
117.03520	2.2
119.05036	4.1
123.00930	0.7
125.02518	0.7
133.03023	0.6
134.40158	0.5
135.04596	0.5
136.98824	2.1
137.02504	0.9
137.99597	7.2
139.00417	3.9
139.02992	0.4
151.00394	0.9
153.01967	1.7
161.02441	3.6
163.00389	0.6
164.01207	0.6
164.98337	1.5
165.01984	0.6
165.99091	15.3
166.99846	1.0
167.05038	0.5
171.04559	1.1
175.02475	0.5
181.01468	1.4
183.04599	1.2
184.05273	0.5
185.06105	0.7
187.04065	1.7
190.99840	0.9
199.04185	0.5
200.04822	0.9
211.04062	1.4
212.04915	1.9
213.01920	0.4
213.05519	1.2
214.02719	1.8
223.04091	1.2
227.03502	1.5
229.05098	0.6
239.03552	1.2
240.04268	1.5
255.03079	1.1
256.03647	0.6
257.04565	0.9
267.03040	2.2
283.02466	4.9
284.03287	54.5
285.04041	43.2
285.07413	0.9
286.04431	3.0
298.01456	0.7
298.04889	1.1
299.05615	100.0
300.05984	8.1
430.32959	0.4
454.67041	0.4
461.10660	6.6
462.11499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.31535	0.8
65.00334	4.9
73.22089	0.9
82.00610	1.7
83.01415	1.5
85.00455	0.8
85.02929	1.5
89.34593	0.8
95.01444	1.7
107.01402	5.7
110.00115	15.2
111.00887	1.3
113.02440	2.1
119.05042	4.0
133.02994	1.5
136.98796	1.4
137.99603	6.3
139.00333	1.4
149.02391	1.2
151.00377	12.3
151.92763	1.0
153.01915	1.1
157.54868	0.8
164.98322	2.3
165.99083	13.8
166.99631	0.7
175.03908	1.5
177.01932	1.0
185.06154	0.9
199.04051	2.3
211.04070	1.8
212.04756	1.9
213.05432	1.0
214.02693	1.4
215.03322	0.9
227.03503	1.1
228.04224	0.9
239.03505	2.6
240.04062	0.9
255.02924	1.9
267.02972	3.3
282.93726	0.8
283.02393	5.5
284.03278	63.1
285.04059	93.5
286.04449	6.9
298.04898	0.9
299.05618	100.0
300.06070	7.1
389.08328	0.8
461.10751	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	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36866	0.7
55.01883	1.3
57.03448	3.7
59.01384	17.3
65.00320	2.7
66.01115	1.0
68.99814	1.2
69.21581	4.1
71.01386	13.4
72.99329	3.4
73.02953	2.0
75.00883	6.0
82.00607	6.2
83.01392	1.4
84.02173	1.3
85.02956	28.5
87.00868	3.7
89.02450	1.8
94.00648	0.8
95.01400	8.9
98.21848	1.0
99.00890	11.3
100.30807	0.7
103.00383	4.5
110.00107	45.9
111.00975	0.9
113.02462	40.5
114.02773	1.8
115.00380	1.5
117.01969	3.4
122.00064	0.6
123.00892	1.7
129.01945	2.1
136.98811	1.4
137.99603	20.7
138.99956	0.8
151.00354	1.7
151.01480	0.8
165.99086	39.5
166.99420	1.3
175.02510	7.7
178.99924	5.1
179.03633	0.8
213.05559	2.8
214.06354	3.4
242.05849	2.7
246.05293	0.9
257.06943	0.9
270.05347	77.9
271.05725	6.7
285.07703	100.0
286.08057	9.1
338.87079	0.8
461.13474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
56.40606	0.7
57.03443	3.3
59.01386	18.5
61.98841	1.4
65.00332	4.2
67.01897	1.6
68.99834	1.6
69.53168	3.4
71.01391	14.5
72.99309	2.8
73.02950	1.8
75.00886	5.8
76.23248	0.7
82.00614	3.2
83.01392	2.1
85.02958	29.0
86.03262	0.7
87.00880	4.6
89.02447	4.3
95.01402	10.4
98.21940	1.5
99.00890	11.5
101.02467	1.4
103.00394	4.3
107.01387	1.0
110.00109	35.4
111.00915	1.5
113.02462	41.8
115.00359	1.8
117.01935	2.4
117.03494	1.8
119.05035	3.4
123.00908	1.6
125.02405	0.7
129.01984	2.2
133.03061	1.0
136.98799	2.1
137.99608	15.3
139.00388	1.7
143.04964	0.8
145.02957	1.2
151.00359	3.0
157.01384	0.8
164.98334	2.3
165.01955	0.8
165.99089	29.4
166.99519	1.0
167.05113	0.8
168.00655	0.8
169.06499	1.1
171.04514	1.5
175.02507	8.3
178.99908	3.9
185.06047	2.2
187.03955	2.5
211.03999	1.6
213.05574	6.7
214.06253	2.5
217.05040	0.8
229.05006	0.9
239.03432	1.6
241.05074	2.1
242.05807	2.4
255.02998	1.3
255.06615	1.8
256.06943	2.4
257.04715	1.1
257.07166	2.4
269.04398	1.0
270.05359	52.8
271.05658	4.3
284.03238	3.3
285.04044	100.0
285.07651	81.2
286.04370	7.3
286.08032	7.0
299.05783	1.1
419.22861	1.5
461.07227	9.4
461.13376	3.4
461.23688	4.4
464.16785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.31535	0.8
65.00334	4.9
73.22089	0.9
82.00610	1.7
83.01415	1.5
85.00455	0.8
85.02929	1.5
89.34593	0.8
95.01444	1.7
107.01402	5.7
110.00115	15.2
111.00887	1.3
113.02440	2.1
119.05042	4.0
133.02994	1.5
136.98796	1.4
137.99603	6.3
139.00333	1.4
149.02391	1.2
151.00377	12.3
151.92763	1.0
153.01915	1.1
157.54868	0.8
164.98322	2.3
165.99083	13.8
166.99631	0.7
175.03908	1.5
177.01932	1.0
185.06154	0.9
199.04051	2.3
211.04070	1.8
212.04756	1.9
213.05432	1.0
214.02693	1.4
215.03322	0.9
227.03503	1.1
228.04224	0.9
239.03505	2.6
240.04062	0.9
255.02924	1.9
267.02972	3.3
282.93726	0.8
283.02393	5.5
284.03278	63.1
285.04059	93.5
286.04449	6.9
298.04898	0.9
299.05618	100.0
300.06070	7.1
389.08328	0.8
461.10751	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	461.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03078	0.4
59.01372	0.8
63.02391	0.6
65.00335	2.3
69.39751	1.8
71.65573	0.4
81.40485	0.4
83.10448	0.4
85.35112	0.5
91.01887	1.2
98.21964	0.9
107.01353	0.4
116.37347	0.4
117.03463	12.0
118.03748	0.5
135.00885	6.7
136.98824	2.2
137.02415	1.0
143.05052	1.0
152.25600	0.4
159.04507	1.5
163.00386	15.4
164.00880	0.5
164.98294	4.6
169.02928	0.5
178.99884	0.4
181.93031	0.4
183.04509	7.2
185.02467	2.0
187.04036	0.8
207.10327	0.9
211.04007	2.8
225.11354	1.2
227.03540	7.5
228.03883	0.4
239.03496	1.1
255.02991	22.1
256.03354	1.5
269.04614	1.6
270.04929	0.5
283.02496	100.0
284.03021	11.2
285.03909	4.5
297.04025	5.7
298.04904	3.3
299.05533	3.1
313.03427	0.6
446.08569	25.4
447.08896	2.1
461.10938	92.4
462.11273	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	461.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09808	0.3
59.01378	0.8
61.98829	0.3
65.00321	2.1
65.80972	0.3
67.01894	0.4
68.99822	0.5
71.01373	0.9
75.00856	0.3
83.01417	0.7
85.02966	1.1
87.00890	0.4
95.01392	2.4
96.99335	0.5
98.21861	0.4
99.00873	1.0
108.02184	1.1
109.02991	0.3
110.00105	1.3
111.00893	4.1
112.71098	0.3
113.02487	1.6
119.05022	0.7
123.00921	1.6
124.01674	7.8
125.02317	0.2
131.05061	0.3
136.01675	3.0
136.98814	3.9
137.99614	0.5
139.00381	7.7
151.00395	0.3
152.01176	7.6
156.00630	0.4
157.06596	0.8
164.98302	1.2
165.02000	0.6
165.07175	0.3
165.99040	1.0
166.02467	0.3
166.99872	3.7
171.08170	1.0
173.06108	2.7
180.00639	0.5
181.06630	1.1
185.06071	1.6
193.01402	0.8
193.36897	0.3
197.06058	0.8
199.07684	1.0
201.05605	1.3
209.06110	1.2
209.09964	0.3
213.05600	0.4
225.05603	4.3
226.05879	0.3
227.07109	1.8
228.07414	0.4
229.05057	0.7
243.06636	30.3
244.07005	2.4
253.05063	4.7
254.05183	0.3
268.03839	0.4
269.04459	1.7
270.04922	1.3
271.06137	100.0
272.06479	7.3
283.06177	0.8
284.06522	1.0
285.04080	8.3
285.07108	1.5
286.04459	0.4
299.02182	0.4
299.05569	0.4
461.07095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1247
Annotation	Artoindonesianin C
Peak:m/z	Relative Intensity
53.52043	0.6
57.03462	0.7
59.01390	0.8
65.00327	3.5
67.01881	1.1
68.99831	1.9
69.96133	1.6
71.01363	0.8
85.02934	1.0
87.04523	2.6
95.01395	3.4
96.99309	1.7
99.00880	1.3
101.02449	8.2
101.87155	0.7
108.02149	0.8
110.00112	1.7
111.00864	4.7
115.04040	4.1
115.05535	1.1
117.03419	0.7
123.00887	4.1
124.01669	10.4
127.05524	1.2
131.05063	2.2
136.01653	3.0
136.98808	5.0
139.00374	11.3
139.05426	0.7
143.05003	0.9
152.01138	8.4
154.04245	1.0
155.05046	23.4
156.05414	1.0
157.06607	2.6
165.07071	0.9
165.99065	0.8
166.99878	8.6
171.04536	1.5
171.08186	1.4
173.06105	4.9
180.05853	1.7
181.06631	1.5
183.04503	1.8
185.06111	1.7
187.04051	2.9
193.01436	1.3
197.06067	1.3
199.03996	1.6
199.07770	0.9
201.05603	1.7
209.06102	1.3
212.04788	2.1
215.07196	0.8
224.04802	0.7
225.05556	6.2
226.02713	0.9
227.03477	9.2
227.06970	2.9
229.05023	2.2
243.06612	38.3
244.06966	2.4
253.05063	7.4
255.02998	10.7
256.03339	0.9
268.03696	0.8
270.05212	0.8
271.06131	100.0
272.06509	7.1
285.01166	0.9
285.04092	9.6
286.04395	0.8
287.10852	1.0
287.69464	0.6
289.08670	2.4
289.14563	0.9
299.02002	0.7
303.10068	1.0
309.24057	0.7
311.11050	0.7
312.11398	0.8
313.11923	0.8
315.10126	1.3
323.78751	0.6
331.09821	12.4
332.10132	1.6
357.11035	0.9
359.09259	19.5
360.09586	2.3
373.10849	1.1
383.09283	2.0
384.09399	0.6
385.10840	1.4
401.10330	3.6
429.09738	2.3
461.12418	68.5
462.12906	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	461.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60629	0.8
55.91771	0.7
59.01383	1.4
65.00336	5.1
68.99860	2.0
69.19798	5.2
71.01377	1.3
85.02972	2.1
87.00874	0.9
95.01408	5.2
99.00890	1.7
101.02454	8.4
108.02182	2.3
110.00088	1.9
111.00873	6.9
113.02464	2.0
115.05521	2.7
117.03461	1.3
123.00907	4.8
124.01681	11.5
124.98820	1.3
127.05561	2.1
131.05029	2.9
136.01665	2.5
136.98819	6.5
137.99596	1.1
139.00383	15.8
139.05533	1.0
139.61014	0.8
151.00432	1.2
152.01126	9.7
154.04301	1.7
155.05037	22.9
156.05441	1.3
156.77522	0.8
157.06590	1.7
161.02460	1.0
164.98215	1.1
165.00647	0.9
165.99078	1.4
166.99883	10.8
167.05058	1.1
169.06612	0.8
171.04501	1.1
171.08237	1.5
172.72153	0.9
173.06100	6.5
180.05797	1.4
181.06607	1.9
183.04520	2.3
184.05460	1.0
185.06094	2.9
186.00723	1.0
187.04028	3.8
190.83328	0.9
195.91275	0.8
197.06128	2.5
199.04047	2.2
199.07668	1.4
201.05553	2.3
209.06139	2.1
211.04147	1.0
212.04750	2.4
213.05443	1.5
225.05611	6.8
227.03514	9.0
227.07184	1.7
229.05055	2.8
232.22801	0.9
241.05060	1.2
243.06633	40.4
244.06891	2.8
253.05046	8.5
254.05302	1.3
255.02980	11.7
256.03635	1.1
267.03082	1.3
268.03723	1.5
269.04297	1.6
270.04913	1.9
271.06125	100.0
272.06430	8.1
283.06223	1.0
284.03323	1.2
285.04050	32.9
286.04468	2.7
287.10660	1.2
289.08661	2.4
299.01901	1.1
303.10300	1.7
315.10165	1.1
331.09753	15.3
332.10211	1.9
341.48715	0.9
357.11392	1.6
359.09253	19.7
360.09537	1.9
383.09036	2.3
401.10297	3.5
429.09830	2.1
461.12460	65.8
462.12866	9.2
470.30765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1302
Annotation	saccharumoside D
Peak:m/z	Relative Intensity
54.76859	1.3
59.01128	1.6
59.01386	18.2
61.98807	1.8
65.00307	4.7
67.01872	2.5
69.03449	1.6
69.52258	5.8
71.01396	17.1
72.99310	2.2
73.02927	4.7
79.95739	14.4
81.03438	2.0
83.01404	2.0
85.02921	5.8
87.00863	2.1
89.01948	2.0
89.02445	24.4
91.01907	6.7
93.03421	4.0
95.01354	4.4
96.96008	18.4
99.00898	2.6
101.02454	8.4
104.45182	1.4
107.01369	3.9
108.02161	6.9
109.02955	7.0
109.83498	1.3
111.00841	5.6
113.02446	14.8
116.92821	6.2
119.03522	3.8
119.05017	11.3
121.02910	1.3
122.03688	2.1
123.00858	3.3
123.03773	2.2
123.04537	24.7
125.02393	2.7
131.03456	3.4
135.04475	5.8
136.98756	4.5
137.02448	7.5
139.00403	8.1
141.01900	3.3
145.02921	5.7
146.03268	1.6
149.04446	2.4
150.03149	3.7
151.00394	13.9
151.03932	1.8
152.01181	13.4
153.01941	8.5
161.02396	2.8
161.04585	2.4
161.05919	1.4
163.03967	2.6
164.98286	8.8
165.05518	2.3
165.98949	2.1
166.02718	20.8
167.03505	79.5
168.03766	1.9
179.05400	1.4
181.05077	16.7
181.99446	6.2
193.03439	2.1
194.02234	13.4
195.02747	1.7
209.04562	91.3
210.04808	3.5
211.04001	1.9
213.55489	1.5
221.97331	8.5
239.05579	9.0
241.04893	1.9
244.83713	1.5
255.05193	1.9
269.04013	2.2
269.06693	29.1
275.86362	1.5
283.02258	1.5
284.03284	6.9
285.04059	35.1
286.04422	2.7
303.04944	3.6
310.50192	1.4
311.09943	11.9
357.08377	10.1
371.09845	7.6
461.12708	100.0
462.13440	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	461.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76859	1.3
59.01128	1.6
59.01386	18.2
61.98807	1.8
65.00307	4.7
67.01872	2.5
69.03449	1.6
69.52258	5.8
71.01396	17.1
72.99310	2.2
73.02927	4.7
79.95739	14.4
81.03438	2.0
83.01404	2.0
85.02921	5.8
87.00863	2.1
89.01948	2.0
89.02445	24.4
91.01907	6.7
93.03421	4.0
95.01354	4.4
96.96008	18.4
99.00898	2.6
101.02454	8.4
104.45182	1.4
107.01369	3.9
108.02161	6.9
109.02955	7.0
109.83498	1.3
111.00841	5.6
113.02446	14.8
116.92821	6.2
119.03522	3.8
119.05017	11.3
121.02910	1.3
122.03688	2.1
123.00858	3.3
123.03773	2.2
123.04537	24.7
125.02393	2.7
131.03456	3.4
135.04475	5.8
136.98756	4.5
137.02448	7.5
139.00403	8.1
141.01900	3.3
145.02921	5.7
146.03268	1.6
149.04446	2.4
150.03149	3.7
151.00394	13.9
151.03932	1.8
152.01181	13.4
153.01941	8.5
161.02396	2.8
161.04585	2.4
161.05919	1.4
163.03967	2.6
164.98286	8.8
165.05518	2.3
165.98949	2.1
166.02718	20.8
167.03505	79.5
168.03766	1.9
179.05400	1.4
181.05077	16.7
181.99446	6.2
193.03439	2.1
194.02234	13.4
195.02747	1.7
209.04562	91.3
210.04808	3.5
211.04001	1.9
213.55489	1.5
221.97331	8.5
239.05579	9.0
241.04893	1.9
244.83713	1.5
255.05193	1.9
269.04013	2.2
269.06693	29.1
275.86362	1.5
283.02258	1.5
284.03284	6.9
285.04059	35.1
286.04422	2.7
303.04944	3.6
310.50192	1.4
311.09943	11.9
357.08377	10.1
371.09845	7.6
461.12708	100.0
462.13440	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	461.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19415	0.2
57.03451	2.0
59.01388	1.0
59.01627	0.2
65.00329	1.2
69.44242	0.9
71.01374	0.6
73.02943	0.3
81.03014	0.3
81.03468	5.0
82.86290	0.2
83.01382	2.4
85.02969	0.9
91.05557	0.2
93.03462	0.6
95.01395	0.5
96.34669	0.2
97.02962	0.3
99.00907	0.3
107.01418	1.2
109.02954	0.6
110.00124	0.3
111.00882	0.4
113.02467	1.1
114.02755	0.2
119.05062	0.5
121.02946	0.6
122.03757	3.0
124.01698	0.3
125.02461	11.2
126.02835	0.2
131.05045	0.7
135.04541	0.3
136.98755	0.3
137.02470	0.3
137.97273	0.2
139.00386	0.6
139.04054	0.2
143.08615	0.3
145.06592	0.3
147.08192	0.8
148.01617	0.3
149.02464	1.5
149.06160	1.0
151.00397	2.1
152.01204	0.3
153.07137	0.4
155.05031	0.6
156.05826	1.3
162.03239	0.2
164.98320	0.4
166.02750	0.6
166.99789	0.2
167.03435	0.4
167.08696	0.3
169.06647	1.8
171.08171	2.8
173.06105	3.7
174.06593	0.3
175.02435	0.2
185.09715	0.4
190.02750	0.3
195.08147	2.8
197.06085	0.5
198.06833	0.3
211.07701	0.5
213.09229	14.6
214.09630	1.1
239.03598	0.4
239.04488	0.3
239.07147	6.1
240.07480	0.5
241.05061	0.4
241.83479	0.2
253.08647	0.4
257.08218	100.0
258.08548	6.1
262.30499	0.2
268.03793	0.6
269.04333	0.9
270.04898	0.8
281.08298	0.4
283.06006	0.4
285.04074	6.0
285.07260	0.8
286.04449	0.5
289.63501	0.2
299.02106	0.3
299.09280	1.1
461.07498	0.6
461.14114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
59.01387	16.1
61.98841	19.6
65.00320	3.2
67.01900	2.5
69.82462	4.4
71.01390	7.5
71.05006	3.0
72.99309	0.9
73.02943	2.2
75.00870	3.2
79.62896	1.0
83.01396	2.7
85.02948	4.6
86.86091	1.1
87.00877	3.5
89.02465	1.5
93.03464	1.1
95.01385	2.5
95.04955	1.1
96.96022	13.0
97.02931	4.0
97.06593	2.0
99.00897	3.7
99.04529	1.7
101.02441	2.8
105.07104	1.7
107.05080	1.6
108.02186	1.6
108.05825	2.3
109.02968	21.5
109.06585	1.3
111.00895	1.7
111.04510	1.9
113.02449	7.4
113.06094	2.0
117.01927	1.4
117.03482	3.8
119.05031	10.3
121.06585	2.3
122.03743	2.1
123.00936	1.6
123.04476	1.9
123.08152	4.2
125.02466	1.4
125.06138	6.4
125.09753	7.0
132.02205	2.6
133.02977	71.6
134.03693	2.2
135.04532	12.3
136.05310	3.6
136.98811	3.2
137.02437	1.3
137.06062	2.0
138.06863	2.6
139.00385	1.9
139.07684	9.2
143.07146	3.1
145.02895	1.5
147.04521	3.9
148.05302	1.2
149.06096	1.4
151.00298	1.2
151.04056	9.0
151.07664	17.0
152.04803	2.1
152.08437	4.7
153.01932	2.9
153.09198	7.1
159.04546	1.9
161.02452	3.3
161.06070	1.1
163.00342	2.0
163.03999	2.7
163.07622	1.8
164.98277	2.7
167.07138	1.1
170.03719	1.8
171.04466	2.6
173.06036	3.3
174.03220	1.6
175.02519	2.1
175.04018	7.3
175.05305	1.3
175.07533	1.2
177.01956	5.5
179.03517	5.7
179.07172	3.8
182.55551	1.2
183.04500	2.0
185.06093	3.1
187.04114	2.6
189.05556	3.1
191.07220	1.2
193.05171	1.6
197.02185	1.5
199.03958	3.8
201.01965	4.8
201.12856	4.9
203.03580	1.4
203.07269	2.4
203.10713	1.3
204.11612	8.2
207.06653	16.1
207.10326	1.5
211.03996	4.1
213.05647	2.4
214.02740	1.9
215.03493	2.0
217.05037	3.8
219.13937	15.7
220.14099	1.4
221.08185	1.3
225.11357	4.8
227.03554	3.1
231.06624	7.6
239.03534	3.3
241.05078	2.8
243.03023	1.8
249.07689	22.3
251.09129	1.7
253.04863	1.8
253.08876	1.4
255.02982	4.0
256.03482	1.2
261.07660	1.4
263.12918	43.0
264.13168	2.8
267.02930	1.8
267.06439	1.7
269.04599	2.0
270.01663	4.4
271.02451	4.4
275.05640	12.3
280.03745	1.3
281.04376	1.9
281.08218	2.3
283.02441	5.6
284.03180	4.4
285.04080	100.0
286.04370	6.6
297.07596	2.1
298.01050	1.8
299.01871	3.1
300.02692	2.9
301.03406	1.6
309.07590	3.2
311.05646	1.9
313.07162	2.1
315.05191	1.7
325.07083	2.4
325.13132	1.6
337.20099	2.0
339.08743	2.4
341.06668	2.2
341.10373	2.0
353.06665	2.5
353.10339	3.8
357.09677	3.7
363.18054	2.3
367.08240	2.8
381.19168	22.8
382.19467	1.5
383.11215	1.7
385.09329	50.3
386.09607	3.5
397.09268	4.4
411.10776	3.4
429.11926	65.3
429.92166	1.0
430.12442	6.1
433.07507	1.4
438.64700	1.1
443.13196	2.5
461.06906	16.0
461.14938	9.1
462.07544	2.1
462.17606	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	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86203	0.5
53.52720	0.6
55.01882	0.7
57.03458	3.5
59.01389	24.9
67.07965	0.7
70.02384	1.8
71.01389	33.4
72.99287	0.6
73.02945	1.4
75.10511	0.6
83.01411	2.0
85.02960	35.4
87.00890	1.0
89.02454	12.5
95.01397	14.4
98.21913	0.7
100.24233	0.6
101.02466	4.9
113.02460	81.8
114.02764	1.3
119.03516	2.5
123.04573	2.1
131.03494	0.7
135.04538	50.8
136.04872	1.3
143.03508	2.2
153.05586	3.2
161.04572	5.5
163.06180	0.8
297.09909	1.7
315.10880	6.5
461.16690	100.0
462.17163	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	461.1671
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
52.75622	0.5
55.01875	1.0
57.01242	0.5
57.03225	0.5
57.03454	4.4
59.01385	27.6
61.98840	8.0
69.16995	0.6
70.73125	0.5
70.75928	0.6
71.01389	35.8
71.92532	0.6
72.99310	2.4
73.02948	2.8
78.95921	3.5
83.01392	1.5
84.02183	0.7
85.02959	37.9
86.03312	0.7
87.00877	2.0
89.02448	12.6
92.92802	1.8
94.92534	1.0
95.01405	15.7
96.96014	1.2
96.96966	0.7
97.02966	1.1
99.00859	0.7
101.02451	7.0
108.90202	1.2
110.89946	0.8
113.02460	76.7
114.01994	0.8
114.02788	1.3
119.03535	3.5
119.94717	1.0
122.15419	0.6
123.04537	3.4
127.05122	0.9
128.03548	1.7
131.03529	1.2
131.04625	1.0
133.05089	0.7
134.03697	0.7
135.04541	45.2
136.04912	1.6
138.97072	1.1
139.00188	0.6
143.03516	1.6
145.06212	6.3
153.05554	2.2
154.97488	0.7
161.04610	6.2
167.04428	1.2
168.01555	1.5
177.05574	0.7
178.96013	1.4
179.05696	0.6
193.03546	2.4
194.65271	0.6
203.02068	1.6
276.86667	0.9
285.04050	1.6
297.09854	1.8
314.99307	0.5
315.10751	5.8
317.36569	0.6
341.10953	1.2
346.16248	0.6
461.16696	100.0
462.17053	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	461.1668
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
55.01891	0.9
57.03460	3.7
57.25993	0.5
59.01386	25.0
69.18430	2.5
69.18836	0.7
71.01389	31.4
72.99323	0.8
73.02945	1.8
83.01391	1.3
85.02957	34.7
86.03282	0.6
87.00874	0.6
89.02454	11.6
95.01398	13.1
98.21841	0.9
101.02435	4.6
103.04011	0.8
110.67249	0.5
113.02461	73.0
114.02773	1.3
119.03511	2.0
123.04568	2.7
131.03505	1.0
134.03711	0.6
135.04539	44.6
136.04836	1.0
143.03510	1.9
153.05632	2.6
160.70743	0.5
161.04568	6.0
169.68887	0.4
222.14233	0.5
297.09811	1.7
315.10843	7.1
315.89200	0.6
461.16678	100.0
462.16992	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	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27155	0.6
53.17208	0.7
53.87904	0.6
55.01859	1.6
57.03455	4.6
59.01388	36.5
59.83436	0.7
69.18541	4.6
71.01389	45.5
73.02947	2.1
83.01399	1.9
84.02176	0.9
85.02959	50.4
87.00899	1.5
89.02455	15.9
94.72600	0.8
95.01398	20.4
96.58997	0.7
97.02839	0.9
97.81866	0.7
99.00846	0.8
101.02448	7.7
103.04028	1.0
105.46312	0.6
107.05061	1.4
108.92430	0.7
113.02461	97.6
114.02792	2.0
115.15095	0.6
119.03519	3.4
123.04526	5.0
135.04539	58.9
136.04884	1.2
138.76225	0.8
143.03500	2.1
153.05565	2.9
161.04581	6.6
203.04422	0.7
240.98514	0.8
285.04044	1.0
297.09915	2.0
315.10919	8.0
316.10757	1.1
388.26477	0.8
402.58105	0.9
461.16702	100.0
462.17154	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.7
61.98824	2.8
71.01392	9.9
73.02955	9.5
83.01400	2.1
85.02948	7.4
89.02457	2.8
89.65263	1.6
95.01389	3.5
98.21898	4.5
101.02457	4.1
113.02473	11.5
119.05014	3.3
125.02407	1.7
133.02948	2.5
135.04570	2.3
136.98787	2.4
145.02850	1.7
148.09773	1.8
164.98283	1.8
175.02454	2.1
178.92023	1.7
187.03989	2.3
195.13870	2.6
213.05493	3.2
239.03453	2.2
267.03189	1.7
284.03320	3.2
285.04068	100.0
286.04343	7.7
299.05719	4.0
357.19119	2.4
375.20187	6.3
417.21210	16.8
418.21570	2.1
461.06732	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	461.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.40725	0.1
57.03455	1.0
59.01385	0.7
69.03470	0.2
69.20895	0.7
69.21296	0.3
71.01393	0.2
71.05018	1.6
73.02955	0.7
73.24319	0.1
77.26752	0.2
80.02693	0.2
83.05032	0.8
85.02951	2.2
85.06609	0.2
87.04523	10.9
91.05540	0.2
97.02969	0.3
97.06593	0.8
99.04562	0.4
99.08129	0.3
101.02464	0.2
101.06094	9.6
107.05038	0.4
109.06609	1.5
110.77990	0.2
111.04530	0.2
111.08120	0.2
113.06106	5.2
115.04025	100.0
115.07657	12.5
116.04368	2.2
117.05601	0.2
120.05785	0.8
121.06617	0.2
123.08173	0.3
129.05594	0.4
135.08180	2.4
143.07162	2.3
147.08160	0.4
148.03397	0.2
153.05602	0.2
161.09669	0.4
171.06656	2.0
187.11342	0.5
199.14984	0.6
201.13037	0.2
203.14491	0.7
217.16013	2.3
219.13855	0.3
221.15407	0.2
225.12956	0.3
227.14340	0.2
243.13902	1.3
245.15475	3.0
246.15860	0.2
246.65431	0.2
255.17616	0.6
259.17007	0.2
261.14972	2.1
273.18710	0.8
283.16983	0.3
289.14493	20.9
290.14819	1.3
291.19717	0.6
301.18051	0.4
317.17722	0.2
345.17014	1.9
346.17462	0.2
433.22125	0.8
461.21854	21.3
462.22162	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	461.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03452	2.6
59.01387	1.0
61.98825	0.3
69.03458	0.6
71.01376	0.6
71.05032	1.4
73.02942	0.7
78.44492	0.4
79.73579	0.3
83.05025	1.4
85.02958	7.5
87.04521	41.8
88.04877	1.0
93.07138	0.4
97.06621	0.5
98.21878	0.6
99.00883	0.5
101.06094	3.9
107.05078	0.5
109.06590	1.6
113.02477	0.8
113.06096	2.9
115.04022	100.0
115.07645	2.6
116.04324	1.8
121.06656	0.5
121.71195	0.3
123.08237	0.3
125.02419	0.4
133.01428	0.4
135.08200	1.1
137.09721	0.5
143.07124	0.8
147.08124	0.5
162.83948	0.5
169.95334	0.3
171.06636	1.0
175.02437	0.3
185.13329	0.4
187.11212	0.4
189.12865	0.9
199.15045	0.4
201.12933	0.6
203.14401	1.1
215.14449	0.6
217.16028	1.8
219.14023	1.7
221.15520	1.1
239.03500	0.5
243.13904	0.6
245.15562	0.6
255.17589	4.6
256.17889	0.6
261.15036	0.6
273.18652	3.4
281.24796	0.3
285.04056	11.8
286.04279	0.8
289.14496	13.0
290.14755	1.0
291.19675	4.9
299.16577	1.3
301.18057	0.5
311.40881	0.3
317.17670	0.5
345.17084	10.8
346.17291	0.8
431.96790	0.4
433.22232	0.4
461.07379	1.5
461.21823	14.3
462.22226	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
57.57751	0.6
59.01392	1.4
69.96618	1.2
69.96986	1.3
71.05022	2.7
83.05016	1.5
85.02962	2.8
85.06625	0.7
87.04523	77.0
88.04869	1.1
97.06603	1.0
101.06094	6.4
107.05036	0.7
109.06604	2.2
113.06077	2.9
115.04023	100.0
115.07658	7.4
116.04378	1.4
131.84415	0.6
135.08174	1.8
139.01918	0.6
140.72589	0.5
143.07141	0.9
147.08121	0.7
152.09325	0.6
171.06610	1.1
189.12880	1.5
199.14909	0.7
199.81770	0.6
201.12950	0.8
203.14394	1.9
217.15916	3.3
219.13921	2.3
221.15276	0.7
243.13983	0.9
245.15450	1.3
255.17773	1.1
261.14886	1.7
261.18756	0.5
273.18680	1.6
285.04135	2.8
289.14478	20.1
290.14859	1.5
291.19669	8.7
292.19962	0.6
335.18777	0.8
345.17117	4.9
401.27237	0.8
461.21854	28.4
462.22269	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	461.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03444	1.1
58.00591	0.3
59.01381	4.7
61.98827	0.3
69.03460	0.7
69.13168	1.1
71.01361	0.6
71.05025	1.9
73.02938	1.2
75.00905	0.3
80.90495	0.2
81.03468	1.1
83.05037	1.6
85.02951	2.8
85.06574	0.4
87.04523	65.5
88.04871	1.1
97.06604	0.8
99.00929	0.6
99.04530	0.7
101.06092	6.2
107.05019	0.4
107.08659	0.3
109.05943	0.4
109.06582	1.8
110.14885	0.3
111.09277	0.2
113.02508	0.4
113.06101	4.1
115.04023	100.0
115.07659	4.4
116.04375	1.9
119.05043	0.3
120.05834	0.4
123.08276	0.3
129.05595	0.4
133.99280	0.3
135.08179	1.3
143.07185	0.9
147.08218	0.3
171.06665	1.3
175.11307	0.3
185.06100	0.3
185.13428	0.6
187.11269	0.3
189.12859	1.0
191.14351	0.5
199.14923	0.3
201.12883	0.9
203.14398	1.6
206.29959	0.3
217.15993	2.3
218.16344	0.5
219.13959	2.4
221.15485	1.1
243.13922	1.0
245.15459	1.2
255.17580	1.0
257.19058	0.3
259.17075	0.5
261.15021	1.0
273.18625	1.7
283.17117	0.5
285.04071	9.2
286.04373	0.5
289.14481	17.7
290.14859	1.7
291.19666	7.4
292.20020	0.6
297.15451	0.3
301.18051	0.7
315.19751	0.3
317.17569	0.3
335.18738	0.8
343.19116	0.4
345.17084	6.3
346.17163	0.5
354.62332	0.3
401.27106	1.3
433.22525	0.7
461.07507	0.9
461.21875	22.9
461.28574	1.0
462.22290	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.7
59.01384	3.7
61.98832	16.4
69.22953	3.7
69.23353	2.1
71.01414	1.1
71.05063	1.1
75.19102	1.0
78.95929	2.7
84.42142	1.1
85.02961	4.4
87.04527	69.3
95.01423	1.3
96.96030	9.7
96.96980	1.3
99.92605	1.4
101.06097	5.7
106.02596	1.0
109.06582	2.4
113.02462	1.5
113.06123	4.3
115.04029	100.0
115.07648	4.9
116.04362	2.0
117.03467	1.1
119.05046	2.4
135.04539	4.9
137.02446	1.6
171.06673	1.9
189.12863	1.9
203.14473	1.4
217.15947	3.1
219.13937	3.4
221.15480	1.1
245.15460	1.8
255.17574	2.0
261.15302	1.3
271.02750	1.3
273.18552	2.0
284.02930	1.1
285.04089	9.0
289.14474	21.3
291.19766	7.9
299.02231	1.6
345.17130	7.1
354.33929	1.3
398.10001	1.6
452.04413	1.1
461.07361	1.6
461.15689	1.8
461.21817	22.3
462.22321	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01384	7.7
65.00337	1.3
67.01900	1.0
70.39239	0.8
71.01387	3.7
73.02937	1.0
83.20181	0.7
85.02959	4.1
87.00887	8.2
89.02454	0.9
94.10126	0.7
95.01378	1.3
96.96022	15.6
96.96635	1.5
96.99323	0.7
98.21886	0.7
99.00887	2.0
111.00888	0.9
113.02461	5.5
117.03472	1.2
119.05040	3.4
120.99676	8.8
127.92394	0.6
129.01956	1.0
131.04933	0.7
133.03001	2.1
134.03764	1.3
135.28471	0.8
136.98836	1.3
139.00328	1.4
143.05060	0.8
145.02986	0.9
145.36931	0.8
151.03992	1.7
163.00502	0.9
164.98256	2.6
167.05090	1.2
171.04544	1.1
175.02487	1.2
175.03972	1.0
178.05171	1.0
185.06094	2.0
187.04002	2.6
193.05113	1.4
211.04054	1.4
213.05637	5.4
229.05058	1.6
239.03563	2.1
241.05034	2.8
243.06609	1.1
248.66805	0.7
255.03055	1.2
257.04657	1.5
257.19107	0.9
271.06012	1.5
284.03259	2.1
285.04071	97.4
286.04422	7.9
363.18277	1.3
373.24219	4.0
381.19250	4.6
393.18900	0.9
461.07202	9.9
461.14908	8.6
461.25803	100.0
462.07620	1.2
462.26157	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.1
57.59212	1.1
59.01386	100.0
66.33161	1.1
68.60901	1.0
69.52168	4.7
69.94912	1.0
81.03455	3.7
83.05022	1.8
85.02969	1.3
87.04529	19.0
93.36866	1.1
97.02948	2.5
99.04529	4.8
101.06081	2.8
115.04031	34.9
115.07687	1.5
119.04998	1.2
141.11351	1.2
217.16035	1.3
285.04160	5.5
289.14456	5.3
291.19540	2.2
345.16956	4.2
397.36301	1.3
401.26990	39.8
402.27197	4.7
419.28314	2.1
461.21786	8.3
461.29001	13.8
462.29202	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	461.2915
Annotation	Sagittine D
Peak:m/z	Relative Intensity
57.03423	1.1
57.59212	1.1
59.01386	100.0
66.33161	1.1
68.60901	1.0
69.52168	4.7
69.94912	1.0
81.03455	3.7
83.05022	1.8
85.02969	1.3
87.04529	19.0
93.36866	1.1
97.02948	2.5
99.04529	4.8
101.06081	2.8
115.04031	34.9
115.07687	1.5
119.04998	1.2
141.11351	1.2
217.16035	1.3
285.04160	5.5
289.14456	5.3
291.19540	2.2
345.16956	4.2
397.36301	1.3
401.26990	39.8
402.27197	4.7
419.28314	2.1
461.21786	8.3
461.29001	13.8
462.29202	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	462.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29726	0.6
54.66217	0.6
57.03443	1.8
59.01383	10.4
60.01734	0.9
61.98837	100.0
65.00350	1.9
69.96461	2.0
71.01390	4.0
71.05042	1.2
72.99332	0.8
73.02960	1.6
79.95737	5.4
82.55082	0.6
83.01382	1.0
83.05055	0.8
85.02982	1.8
87.00878	0.8
89.02470	1.1
93.03458	0.8
95.01432	1.7
95.95264	1.2
96.96021	26.3
97.02966	1.0
98.22654	0.8
98.95650	0.7
99.00897	1.2
101.02480	1.3
107.05072	0.8
109.02976	2.8
110.00082	1.3
113.01759	0.8
113.02433	3.6
113.06129	0.8
117.03477	5.1
119.03546	0.6
119.05020	3.0
120.05381	0.9
121.03001	0.8
122.97600	1.0
123.04604	0.7
125.02464	7.3
125.06112	1.2
125.09710	1.5
126.10164	0.7
133.02951	4.1
134.03433	0.7
135.04556	3.9
136.98851	2.8
137.02443	0.8
139.00371	1.3
139.04079	0.8
139.07707	1.7
143.07169	1.7
151.07698	2.1
152.08156	1.4
153.09155	0.9
159.04527	1.4
160.01700	1.4
161.02454	1.3
164.98376	1.2
165.99057	0.9
167.00053	1.1
173.06195	1.0
175.04129	1.6
187.03992	0.8
199.04021	1.1
199.13448	0.6
200.04749	0.9
201.05827	0.7
204.11523	1.1
205.11873	0.6
209.11859	9.1
211.04129	1.2
215.03525	1.1
216.04474	0.7
219.13974	2.1
220.14311	2.1
225.05902	0.7
225.11369	1.5
226.11690	1.7
227.03606	1.6
227.12981	1.8
239.03526	0.8
243.02872	0.7
253.09438	0.9
255.03026	3.1
257.04541	1.2
263.12915	5.6
264.13181	3.4
267.10321	1.0
271.02313	1.9
272.03027	0.8
283.02567	5.4
284.03006	1.2
285.04065	10.0
286.04404	22.0
287.05063	1.6
293.08173	0.8
299.02060	2.5
299.08099	1.0
300.02780	18.0
301.03595	16.9
311.09695	0.7
337.10974	0.8
355.11832	3.8
381.09653	1.4
381.19363	0.8
382.19577	5.6
386.09723	2.2
399.10867	5.4
400.11682	0.7
430.12372	2.5
462.07416	5.2
462.17731	18.5
462.68256	7.1
463.08801	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.5
60.35450	1.4
61.98839	100.0
70.17650	1.4
71.43125	1.5
87.04520	4.6
96.80165	1.4
110.00080	1.6
115.04042	8.9
119.05055	2.6
124.67792	1.2
135.04546	4.7
139.00360	1.9
156.05019	1.4
164.98277	1.5
165.99130	1.6
166.99893	2.0
205.00998	1.4
283.02640	1.6
285.03790	1.7
286.04514	2.9
300.02771	2.0
300.25638	1.6
301.03552	3.8
302.04306	5.6
399.10492	1.5
462.22595	2.2
463.08759	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	462.2034
Annotation	Sclerotiamide
Peak:m/z	Relative Intensity
59.01392	17.8
61.98831	6.2
68.04865	1.9
69.32016	9.8
70.02980	30.0
71.01388	6.4
72.00925	2.3
73.02959	2.5
85.02947	3.4
89.02441	5.4
95.02509	9.9
96.00919	26.8
98.22665	3.1
99.05648	6.2
101.02453	7.2
108.02218	2.3
109.04073	2.9
110.03623	2.0
111.02006	2.8
113.02425	5.3
113.03579	18.6
113.07233	3.9
114.01989	63.4
119.03549	2.0
119.05060	3.6
121.04071	10.6
123.04536	12.2
129.10353	36.9
131.04643	53.9
138.06769	3.9
139.08797	2.8
147.06058	2.9
148.35307	2.2
151.06204	1.9
152.03572	4.7
152.07028	2.1
156.07722	2.9
166.02734	3.2
167.03508	40.7
167.10777	2.2
169.04413	15.6
169.09828	10.3
170.09445	2.0
173.03964	2.0
181.05026	3.5
186.07083	37.3
186.12534	4.6
200.03940	4.6
204.08092	7.0
209.04590	20.6
218.09869	2.5
244.07475	2.8
251.15205	5.5
262.08716	2.6
269.06714	6.7
285.04327	2.6
299.15494	100.0
300.02408	2.3
300.15796	6.1
317.16528	75.6
318.16867	4.0
329.16449	3.4
347.17633	24.6
356.04254	1.9
365.01266	2.0
388.20264	3.3
390.89346	2.0
414.18225	7.0
432.19266	33.5
433.19547	2.4
444.19220	10.0
462.20358	97.8
463.14609	27.1
463.20566	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01389	5.7
65.00314	2.3
67.01872	0.9
69.53966	3.2
71.01390	4.8
72.99313	2.2
75.00865	1.9
78.90108	0.6
79.01736	0.8
79.65161	0.8
80.93069	0.8
83.01382	3.1
85.02951	11.6
87.00861	1.7
89.02440	1.9
93.03442	2.3
95.01399	7.0
99.00889	4.7
103.00368	1.9
109.02974	1.3
111.00889	5.8
113.01714	1.4
113.02456	17.5
115.00305	0.9
117.01950	1.1
119.05036	31.0
123.00908	4.7
124.01683	2.1
125.02479	1.1
136.98798	6.1
137.02431	1.5
139.00381	20.2
141.01935	2.0
145.02950	1.4
153.01945	38.4
154.02257	1.2
166.99867	28.0
175.00102	0.7
175.02490	4.6
181.01443	17.0
189.05563	1.8
193.01437	2.7
193.03529	2.2
201.05644	1.1
235.78590	0.7
241.04921	1.1
243.06702	1.6
259.06146	3.8
267.90704	0.8
269.04568	7.6
287.05624	100.0
288.06015	5.3
463.08948	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	463.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94246	1.8
59.01378	5.1
62.98840	1.8
64.01950	1.6
65.00329	2.7
70.48717	3.9
71.01389	4.8
72.99339	1.8
73.02974	1.7
75.00881	1.9
78.50314	1.7
83.01402	4.0
85.02959	5.2
93.03439	1.8
95.01404	4.6
99.00895	7.5
100.24848	1.9
110.00102	5.9
111.00896	9.3
113.02453	9.1
115.00379	1.5
119.05039	33.5
119.41785	1.6
123.00922	5.1
124.01680	2.9
127.08765	2.5
128.03615	10.5
136.98813	3.8
139.00395	23.6
141.01955	25.0
143.05060	3.0
152.01233	2.9
153.01958	34.9
164.98300	3.6
165.99055	6.2
166.99893	41.5
171.07770	4.4
175.02481	4.1
181.01476	16.7
187.04105	1.8
193.01439	3.1
209.11880	2.0
213.15028	2.7
213.84447	1.8
216.11618	2.1
216.74184	1.7
225.05630	1.8
247.13844	4.8
259.06033	5.3
269.04776	3.7
285.03653	2.4
286.04950	8.1
287.05643	100.0
288.06009	6.0
301.07333	1.8
317.05161	28.0
334.16876	4.2
432.91251	1.8
463.08719	45.4
463.88226	1.9
464.09271	3.8
486.35275	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35403	0.9
53.18830	0.8
57.03447	1.5
57.55767	0.9
59.01380	8.4
65.00324	1.7
65.68433	0.8
68.99807	0.9
69.60761	2.4
71.01389	6.7
72.99314	2.8
73.02943	1.6
75.00890	2.7
75.13689	0.9
83.01407	4.5
85.02956	11.7
87.00894	2.1
89.02464	2.0
93.03474	3.4
95.01395	9.4
98.21943	2.0
99.00883	2.7
103.00382	2.1
109.02949	2.2
111.00895	7.2
113.01713	1.8
113.02451	18.2
114.73359	1.0
117.01948	1.8
119.05038	41.7
120.05338	1.9
123.00889	5.4
124.01657	3.3
125.02464	1.7
135.00861	1.0
136.98805	7.5
137.02448	2.3
139.00381	25.7
141.01929	4.2
145.03029	1.6
153.01945	44.1
166.98453	1.9
166.99870	38.3
168.00246	1.9
175.02481	3.2
181.01437	20.8
182.01743	1.2
189.05620	3.0
193.01422	3.6
193.03554	2.7
201.05704	1.0
225.05522	1.3
235.97311	0.9
241.05023	1.5
243.06544	2.0
259.06018	4.5
269.04492	5.8
270.35733	1.0
287.05624	100.0
288.05896	4.8
306.04486	0.9
335.79153	0.9
408.80505	0.9
409.76086	0.9
463.08978	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	463.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03448	1.3
59.01382	1.9
65.00372	0.1
67.01915	0.3
68.99812	0.3
69.03461	1.1
69.67437	0.2
69.67822	0.2
71.01006	0.1
71.01382	2.5
72.99312	1.1
73.02946	0.9
75.00887	0.5
79.01913	0.2
83.01388	0.6
85.02955	3.8
87.00885	0.4
89.02461	0.7
93.03477	0.4
93.99742	0.1
95.01397	2.3
95.01968	0.1
96.99305	0.1
97.02955	2.1
99.00884	11.1
100.01249	0.2
101.02462	0.3
103.00387	0.6
109.02929	0.3
110.00064	0.2
111.00888	5.0
113.02460	4.7
114.02807	0.1
115.00365	0.3
117.01962	0.2
117.03466	0.9
119.05037	3.9
123.00895	7.7
124.01184	0.1
125.02467	0.1
129.01932	0.2
131.03508	0.4
136.98798	0.2
137.02472	0.2
139.00394	5.1
140.01205	0.9
141.01952	100.0
142.02281	2.6
143.05040	1.4
145.02939	0.2
151.00392	0.3
153.01944	1.4
157.01389	0.1
157.06598	0.3
159.04529	0.5
166.99858	0.6
169.06612	0.2
173.06090	0.4
175.02464	1.0
181.01434	0.4
193.01706	0.2
193.03552	2.4
197.06053	0.1
201.05579	0.5
209.37901	0.1
225.05547	0.3
227.03326	0.1
241.05119	0.2
243.06644	0.2
259.06091	0.2
269.04544	4.6
270.04758	0.2
287.05624	37.4
288.05975	2.7
301.03574	0.3
307.10733	0.1
317.05225	0.8
317.08344	0.2
329.06683	0.2
463.08810	5.6
464.08990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41985	1.3
55.80299	1.7
59.01381	3.4
65.00330	3.0
66.60708	1.3
66.92676	1.4
68.99828	2.0
71.01376	4.8
72.99297	2.7
75.00877	1.9
83.01392	3.4
85.02947	6.0
87.00886	2.3
88.28255	1.4
93.03457	4.1
95.01408	5.0
98.21819	3.8
99.00903	8.6
107.87418	1.4
110.00116	9.0
111.00872	9.4
113.02460	9.4
118.53883	1.6
119.05032	36.1
120.05370	1.6
123.00881	4.5
124.01671	1.9
136.98842	7.0
137.02396	1.9
137.99632	1.9
139.00386	26.3
141.01955	25.2
143.05002	3.0
151.00362	1.6
152.01132	2.3
153.01949	35.5
158.61818	1.6
164.98329	3.2
165.99080	7.0
166.99881	35.8
168.00105	2.0
175.02560	2.2
180.00629	2.5
181.01431	15.6
189.05646	2.8
193.01447	2.9
201.05620	1.6
209.11775	3.7
229.01912	1.6
241.05025	2.3
259.06149	4.5
269.04587	4.3
285.04016	4.7
285.29788	1.6
286.04825	9.4
287.05637	100.0
288.05896	3.7
288.56903	1.8
301.03522	9.2
301.07190	13.6
317.05136	24.7
435.17896	1.8
463.08813	60.6
464.08908	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	463.0887
Annotation	AC1MML41
Peak:m/z	Relative Intensity
50.22326	0.8
51.61692	0.7
57.03453	11.3
59.01387	4.2
62.97381	1.0
65.00327	4.3
67.01915	1.1
71.01390	2.9
72.78159	0.8
75.00889	2.2
81.03492	1.7
83.01392	7.4
85.02959	6.0
87.00860	0.8
93.03474	1.8
95.01417	1.8
99.00885	2.2
103.00371	1.3
107.01424	3.0
108.02204	0.8
109.02966	2.3
113.02463	14.3
117.02041	0.8
123.04594	1.5
124.01706	2.7
125.02463	87.1
126.02828	2.3
131.05054	1.8
133.02997	1.9
137.02469	0.8
137.82996	0.8
151.00368	7.9
152.01213	6.8
153.01938	1.9
153.05531	1.3
156.05835	1.6
157.06636	2.5
158.03752	1.1
159.04492	1.0
165.01994	2.3
172.05389	1.9
173.06177	5.3
175.02512	4.5
177.05606	11.9
178.99820	2.1
180.00706	3.1
187.07921	1.0
197.04498	2.0
199.07700	3.2
201.05594	7.9
203.03551	1.1
213.05598	1.0
215.07205	5.6
219.06702	2.2
241.05130	1.4
243.06676	10.4
259.06134	54.7
260.06461	2.8
269.04639	2.2
287.05646	100.0
288.06000	5.4
304.42896	0.9
396.86707	0.8
463.08966	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	463.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84130	0.4
59.01168	0.3
59.01387	3.6
61.98843	0.5
65.00024	0.6
65.00334	7.6
68.99812	0.4
69.14082	2.2
71.01389	1.6
71.79871	0.4
71.85154	0.4
83.01403	0.4
83.05063	0.7
85.02969	0.6
89.02453	1.1
101.02450	0.9
108.02185	0.6
109.02975	0.9
110.00088	1.7
111.00900	1.2
113.02422	0.9
119.05048	4.8
123.00846	0.5
123.04553	0.7
133.02953	3.8
134.03708	1.6
135.04532	5.8
136.98820	10.3
137.02432	1.1
139.00368	1.9
143.05017	1.2
145.02954	0.5
147.04500	0.4
149.06065	0.5
149.99611	0.9
158.03775	0.6
161.02455	0.5
161.05977	0.6
163.00444	0.6
164.01192	0.9
164.98320	1.5
165.01947	1.0
165.12878	0.6
165.99095	2.3
166.99872	0.9
172.05336	1.2
173.02409	0.5
173.06073	0.4
174.03189	1.1
175.04013	1.5
176.04625	0.4
181.05057	1.1
185.02419	0.7
187.04021	2.7
188.04938	1.0
189.05516	0.7
192.00603	0.8
199.04013	3.0
200.04982	2.0
201.01929	3.6
201.05595	1.8
202.02693	1.6
203.03531	0.6
209.11850	21.5
209.98946	0.4
210.12198	0.7
211.04033	1.3
213.01974	1.1
214.02690	0.7
215.03535	0.9
216.04361	2.6
216.06065	0.5
219.06618	0.9
226.02553	0.5
227.03578	2.8
227.12979	3.1
228.04216	3.2
229.04962	0.9
230.02325	0.8
237.02092	0.5
239.03540	0.5
243.02994	1.8
243.20532	0.5
244.03754	1.1
245.66394	0.4
253.09349	2.9
255.02986	2.9
256.03745	0.4
257.04614	0.6
271.02536	1.6
272.03244	1.0
282.01813	0.4
283.02567	2.3
285.04092	4.0
293.08240	0.7
299.01999	3.9
300.02774	61.2
301.03543	100.0
302.03940	6.6
302.07095	0.8
343.04602	0.5
377.18222	0.8
413.12323	0.6
419.19305	2.2
431.13248	0.4
445.15091	2.2
463.08878	75.8
464.09262	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
61.06394	0.4
61.98826	1.8
63.02377	0.7
65.00335	2.1
66.10716	0.5
69.65763	1.1
71.01389	1.3
73.02946	0.6
78.61267	0.4
81.03489	0.5
83.01413	1.1
83.49011	0.4
89.02441	0.6
93.03447	0.5
99.92573	1.3
100.93369	1.0
101.02463	0.6
107.01404	2.9
110.00127	1.0
111.00887	0.6
113.02522	0.4
115.92103	1.3
116.92873	8.6
119.05051	0.7
121.02943	0.6
125.02486	1.0
133.02983	1.5
135.04530	2.1
136.98802	1.2
137.02493	1.1
139.00368	1.1
147.04486	0.5
148.01730	0.6
149.02464	15.0
150.02878	0.5
151.00400	7.5
151.04033	0.7
152.00862	0.6
159.04477	0.7
161.02452	0.6
161.04857	0.8
165.01920	0.5
165.99077	0.9
166.99956	0.5
169.06627	0.5
173.06180	0.5
175.03958	0.5
177.01924	1.1
183.04504	0.9
185.06143	0.8
187.04039	1.1
191.03549	3.4
199.03976	0.7
201.01959	1.4
201.05470	0.5
203.03592	0.7
209.11835	2.6
211.03984	1.1
214.02779	0.9
215.03589	2.5
216.04297	1.2
227.03558	3.0
229.01027	0.5
229.05109	0.9
233.04576	1.6
239.03529	2.0
240.04056	0.5
243.03067	1.0
253.09435	0.5
254.02336	0.6
255.03070	2.4
256.03638	0.7
257.04666	1.0
259.02576	0.7
261.12610	0.9
271.02496	0.5
272.03296	1.3
283.02664	1.4
283.10898	1.6
299.01962	0.8
299.99289	0.6
300.02792	18.7
301.03558	100.0
302.03891	6.7
310.41592	0.5
343.04651	0.6
389.25848	0.4
427.10574	0.5
463.08878	78.4
464.09229	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	16.0
59.01379	4.0
65.00349	1.3
69.84283	1.9
71.01384	3.0
75.00871	1.2
79.95754	2.7
81.03461	1.1
83.01395	2.5
85.02966	5.8
87.00910	1.0
89.02455	0.7
92.68216	0.6
95.01401	2.2
99.00894	2.2
103.00359	1.3
107.01393	1.2
111.00899	1.9
113.02468	13.4
113.18045	0.6
117.01993	0.6
117.03571	0.6
125.02464	100.0
126.02785	2.2
129.01950	0.7
133.96837	0.6
135.04590	3.3
139.00401	2.0
145.33357	0.5
151.00403	1.8
159.08231	0.6
161.02487	8.3
164.98283	0.8
166.99826	1.0
175.02507	4.4
177.01971	0.7
227.03568	0.8
236.97943	2.0
256.67963	0.6
269.04709	0.8
285.04068	1.0
287.05661	37.5
288.06039	1.7
299.02072	1.4
301.03546	15.8
301.06726	1.1
302.03943	1.6
314.04446	1.1
353.06729	0.8
454.14816	0.6
463.08841	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	463.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94550	0.3
58.66610	0.3
59.01385	1.6
61.98834	34.9
65.00340	1.5
67.01913	0.7
68.99841	0.4
69.06184	2.2
71.01418	0.9
73.02984	0.3
79.95791	0.6
82.00655	0.6
83.01412	0.8
85.02985	0.7
89.02467	0.4
93.03503	1.1
95.01389	1.8
96.96063	0.3
96.99348	0.6
98.02505	0.4
98.21857	0.7
99.00900	0.8
101.02462	0.4
107.01436	0.8
107.05061	0.4
110.00108	1.8
111.00890	14.1
113.02490	0.9
117.03423	0.4
119.05069	1.3
121.02984	0.7
123.00917	2.0
125.02507	1.2
133.03029	0.7
134.03801	0.8
135.04532	5.4
136.01691	1.2
136.98813	2.4
137.02498	3.0
139.00383	15.2
141.01993	0.9
143.05016	0.4
149.02492	0.7
149.04601	0.4
151.00340	1.9
151.04036	1.2
152.04402	0.9
153.01999	1.4
159.04504	0.6
161.02499	1.1
164.98286	2.0
165.01964	0.6
165.99095	1.5
166.99873	4.6
167.01054	0.4
167.03412	0.6
171.04579	0.6
175.02554	0.4
175.03961	0.3
177.01971	1.1
178.99902	0.8
181.01492	0.4
183.04521	0.4
185.06107	0.8
187.04097	1.1
189.05629	0.6
191.99123	0.3
192.00713	0.9
193.01486	0.7
195.04474	0.6
199.04013	0.5
201.02023	0.7
201.05608	1.2
211.04047	1.2
213.05518	0.4
215.03540	1.3
218.31688	0.4
227.03673	0.4
229.05116	0.9
233.04536	0.9
239.03513	3.8
241.01570	0.8
241.04951	0.4
255.03001	1.3
257.04517	0.7
257.08264	0.4
269.04596	0.8
283.02454	1.1
287.05640	3.8
300.02829	1.5
301.03546	100.0
302.03879	5.8
463.08777	14.4
464.08948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31562	5.8
57.03430	6.3
59.01384	12.2
62.71994	5.4
68.47590	5.5
68.99828	7.6
69.03441	6.3
75.49806	5.5
78.19984	5.1
81.03464	6.9
83.01402	17.8
87.00893	53.5
95.01387	7.6
97.02937	10.2
101.03947	6.2
109.03018	7.2
110.68056	5.2
111.00881	10.9
112.98804	15.5
113.02450	9.9
115.05570	26.9
123.00892	5.7
131.05038	50.1
134.35548	5.3
136.98906	6.2
139.00381	6.9
141.07129	19.8
143.05013	10.9
145.02969	6.2
145.06598	65.6
147.04483	19.7
150.46765	6.9
152.99599	5.5
153.01968	6.4
157.06581	38.2
167.05029	7.9
169.06622	20.9
171.04477	33.5
171.08124	7.1
172.05293	25.7
173.06096	37.2
175.04016	9.4
175.07625	15.7
180.05876	8.2
181.06503	7.4
183.08122	8.8
185.06113	66.0
187.03946	8.2
187.07687	34.4
193.06711	8.3
197.06099	15.4
199.07718	10.0
201.05592	100.0
207.08299	6.9
215.07112	20.3
216.18544	5.8
221.06061	8.8
223.07614	17.5
225.05539	16.3
225.09048	12.9
227.07133	6.5
229.05086	49.0
241.05052	11.0
241.08759	12.4
243.06693	47.9
247.06187	7.5
251.07129	25.7
259.06186	6.9
267.06863	6.5
269.04578	18.5
269.08194	10.9
285.12955	8.4
287.05405	18.1
287.10770	16.3
295.05969	13.9
301.03452	34.2
311.10706	10.2
313.07117	13.4
313.12341	40.9
315.10291	14.1
329.11801	50.5
355.09772	13.2
357.11377	38.8
383.09097	8.7
401.10333	21.0
419.11389	37.8
463.09747	23.7
464.10239	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.32569	1.1
59.01386	14.4
61.98830	1.5
65.00320	1.2
67.01891	1.3
69.22872	6.8
71.01388	14.4
73.02946	2.2
82.95434	4.2
83.01394	1.7
85.02963	5.4
89.02458	7.2
91.01902	9.3
95.01435	3.0
96.20680	1.1
96.96027	3.4
97.02960	1.8
98.21824	2.3
99.00850	1.6
101.02457	6.2
107.01396	2.2
107.71190	1.2
108.02169	7.9
109.02979	2.6
111.00882	3.2
113.02453	9.4
114.02736	1.2
119.03582	1.4
123.00896	10.5
123.04539	30.9
124.01678	26.3
124.02524	2.4
124.04880	1.1
125.02468	26.7
133.79314	1.1
135.04536	3.3
137.02417	1.6
149.99605	38.6
151.00381	7.1
151.04021	1.4
151.06125	5.0
152.01154	9.0
153.01921	1.5
164.79797	1.1
166.02757	5.9
167.03506	100.0
168.00656	86.1
168.03760	2.7
169.01303	5.2
181.05096	6.1
194.02208	5.5
209.04568	43.3
210.04927	2.7
239.05617	4.2
259.06219	2.2
269.04251	1.7
269.06711	15.5
287.05524	3.4
295.88440	1.3
311.07690	2.9
331.06769	3.8
436.03458	1.3
463.10913	70.9
463.15659	21.4
464.10184	6.3
480.09030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99799	0.6
54.65293	0.6
59.01382	11.3
66.22736	0.6
67.01910	1.1
68.99823	0.6
69.96238	0.6
69.96587	1.8
71.01384	9.0
73.02937	2.8
81.03474	0.7
83.01398	1.2
85.02962	2.4
89.02444	5.6
91.01910	6.8
95.03553	0.6
101.02473	4.2
105.59035	0.6
107.01416	2.5
108.02182	7.6
109.02991	3.7
111.00877	1.2
113.02431	3.6
119.03548	1.0
122.03743	1.8
123.00945	0.8
123.04543	29.1
124.01684	1.0
124.04855	0.9
125.02452	0.7
133.05090	0.9
146.59424	0.7
150.03264	1.1
151.00400	6.4
151.06143	5.6
152.01155	8.8
153.01973	1.0
166.02727	9.3
167.03513	100.0
168.03841	2.5
175.06148	0.6
181.05109	7.8
194.02222	5.8
209.04567	51.8
210.04953	2.6
239.05638	5.9
251.05620	1.1
269.06683	17.0
295.10333	0.8
311.07773	3.6
329.08890	1.7
362.08749	0.6
463.14621	59.6
464.14850	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	463.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
59.01383	12.5
59.08578	0.7
67.01889	1.1
68.99849	0.6
70.69951	1.3
71.01389	7.9
73.02956	2.6
73.82141	0.6
77.33422	0.5
79.07823	0.6
81.03452	0.8
83.01399	1.2
85.02964	3.6
89.02451	5.0
91.01902	7.3
92.16420	0.6
95.01399	1.1
99.00889	1.0
101.02444	6.0
107.01398	3.6
108.02189	9.5
109.02971	1.7
111.00895	1.1
113.02462	2.1
119.03510	2.0
122.03770	2.1
123.00912	0.7
123.04536	28.8
124.04830	1.0
125.02462	1.0
150.03319	1.4
151.00400	6.2
151.06136	5.3
152.01158	8.2
153.01950	1.7
166.02711	9.7
167.03510	100.0
168.03848	2.9
181.05084	7.1
194.02200	5.6
195.03012	0.9
209.04561	49.7
210.04942	1.9
239.05638	6.5
251.05630	1.0
255.05341	0.6
269.06671	16.3
270.07037	0.7
272.29105	0.7
311.07794	4.2
329.08810	2.5
357.08350	0.6
430.95575	0.6
463.14618	68.4
464.15002	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01385	24.7
61.98819	0.7
67.01870	0.9
69.03778	5.5
71.01391	12.0
71.94310	0.7
72.99308	1.3
73.02946	3.2
81.03458	0.9
81.69660	0.8
83.01380	1.5
85.02967	3.8
87.00871	1.9
89.00325	1.5
89.02451	6.8
91.01893	0.9
93.03466	0.9
95.01402	1.7
97.02916	0.8
99.00905	1.8
101.02454	6.5
102.31243	0.8
106.00619	1.9
109.02971	1.7
110.94135	1.3
111.00871	2.0
113.02454	4.1
116.92814	0.9
119.03481	2.5
121.02972	36.9
121.05054	4.8
122.00150	0.9
123.00890	7.3
127.00357	4.7
133.55733	0.8
136.98808	1.7
137.02473	9.6
138.03267	8.1
139.00403	2.7
139.04019	2.2
141.01932	0.7
153.01959	1.4
153.05588	33.7
154.02745	0.8
154.06050	1.2
155.03494	1.6
161.04582	1.7
165.01942	2.0
166.99855	2.2
168.00639	1.5
181.01436	5.2
182.02223	8.9
183.02992	4.4
196.03746	2.2
197.04565	100.0
198.04907	3.0
204.92374	2.3
206.92068	1.1
209.11838	2.4
211.06148	2.8
224.03264	2.3
225.04123	1.9
230.74892	0.8
239.05629	11.5
240.06000	1.1
269.06747	1.9
281.06647	1.8
285.06226	1.0
287.05612	1.0
299.07642	2.0
300.02621	0.9
301.03409	1.5
341.08762	3.4
448.12314	2.7
463.14594	84.0
464.14987	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	463.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96690	0.2
58.18802	0.3
59.01385	100.0
60.01736	0.8
61.45170	0.3
61.98827	1.6
63.72942	0.3
65.09468	0.3
69.56802	0.7
69.57213	0.9
71.01400	1.0
71.47933	0.3
78.95937	0.5
91.04044	0.3
93.54784	0.3
95.31272	0.3
113.02522	0.4
115.16428	0.3
119.05055	0.7
133.02998	0.3
135.04521	0.5
139.00478	0.3
212.91016	0.3
300.02808	0.8
301.03473	0.4
329.23380	0.7
361.13303	0.4
383.71100	0.3
390.49860	0.3
401.12469	0.5
463.09109	0.6
463.73691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57242	0.6
59.01385	10.7
65.00334	1.2
68.99840	0.7
69.03448	0.7
71.01390	3.3
71.44116	0.7
72.00917	0.8
74.02489	2.4
75.00901	0.7
79.05569	0.9
82.03001	2.5
83.01397	0.9
84.04568	2.4
85.02952	1.8
85.21805	0.6
86.02486	23.4
88.04040	1.3
88.93382	0.7
89.02456	2.2
93.03463	0.8
95.01411	0.8
96.04560	0.8
97.02927	0.8
97.06608	1.9
99.00887	1.2
101.02432	1.8
107.06146	1.1
109.02914	0.7
109.07742	1.2
110.00114	1.6
111.00858	1.0
113.02477	3.3
117.03512	1.4
119.05045	7.0
127.05128	3.9
127.08794	12.4
128.03554	100.0
129.03880	2.7
133.03000	1.1
135.04552	0.7
136.98790	1.4
137.02452	0.6
139.00395	3.4
141.01961	5.5
152.01201	0.9
153.01915	5.4
153.06725	8.3
153.75200	0.5
163.00398	1.0
164.98343	0.7
165.99092	1.2
166.99869	4.6
171.07768	45.9
172.08090	1.2
179.04666	2.6
181.01529	3.0
183.13937	2.8
195.13902	6.2
197.05759	3.9
199.13412	1.2
201.05591	0.8
209.11855	9.4
210.12143	1.1
211.13464	0.9
213.14972	21.2
214.15276	1.5
215.06732	12.7
215.08630	1.0
227.12903	3.6
229.12782	0.8
247.13742	53.0
248.14070	2.3
253.09238	1.9
255.03053	1.2
256.03278	0.7
257.03439	0.6
259.06296	0.9
283.02597	2.9
283.11783	3.2
284.02823	3.4
285.03082	5.8
286.04749	1.8
287.05637	14.8
288.05988	1.1
300.02725	4.1
301.03488	5.9
301.07108	3.0
317.05219	4.6
334.16965	42.7
335.17230	3.9
414.80090	0.7
445.20169	8.1
446.20746	0.9
448.09048	2.1
463.09930	11.4
463.21231	24.1
464.09851	1.1
464.21509	1.8
465.73169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	1.2
59.01389	17.7
61.98834	2.2
65.00334	1.5
69.27245	6.5
71.01395	6.9
74.02491	3.2
79.05535	7.8
81.03485	1.0
82.02994	1.7
83.01371	1.4
84.04556	1.5
84.49969	1.2
84.70800	1.2
85.02985	1.8
86.02487	22.3
88.04060	1.2
89.02483	5.4
89.02940	1.1
95.05048	3.5
97.06601	13.7
98.22617	2.2
101.02444	1.9
108.35796	1.0
109.07731	1.7
113.02448	2.6
119.03557	1.4
119.05048	3.1
125.02479	1.4
125.06068	2.6
127.05133	4.1
127.08805	14.6
128.03555	100.0
133.02985	2.2
134.03754	1.4
135.04544	2.1
136.98831	2.1
141.05598	17.8
141.52011	1.1
144.67607	1.2
151.00342	1.5
153.06729	6.6
164.07332	1.1
165.99121	1.6
166.99911	1.8
171.07771	51.5
172.08211	2.2
179.04539	2.3
183.13959	2.7
195.13939	4.3
197.05745	1.9
209.11882	6.3
211.13422	1.6
213.14967	24.0
215.06778	9.9
227.12880	2.4
229.12671	1.6
239.12894	3.1
247.13745	49.8
248.14110	2.5
255.03012	1.2
283.02573	2.0
283.11877	27.4
285.03842	2.9
286.04706	2.3
287.05374	3.4
299.02151	1.2
300.02817	8.6
301.03494	10.5
301.07178	9.8
334.16937	45.9
335.17242	1.8
358.77884	1.0
369.09808	2.4
381.19250	3.4
431.00482	1.1
445.20142	8.2
446.20416	1.6
463.07898	8.3
463.21301	25.6
463.26450	1.5
464.21906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
56.57649	0.3
57.03448	0.6
59.01386	100.0
60.01717	0.7
64.46955	0.4
65.00331	0.5
69.12808	1.3
69.13232	1.1
71.01389	8.3
71.05059	0.3
72.99335	1.0
73.02954	3.6
81.03459	0.6
83.01402	1.8
83.05061	0.6
85.02962	6.4
87.00892	5.8
89.02472	1.6
93.03479	0.5
95.01395	0.8
95.05052	0.6
97.02966	0.6
98.22705	0.8
99.00910	1.5
101.02459	4.7
101.03034	0.5
108.02187	0.8
111.00942	0.5
112.01666	0.4
113.02448	7.6
119.05046	0.7
123.04521	2.0
125.02468	1.0
125.06093	2.1
127.11324	0.6
128.51022	0.3
129.01987	0.7
131.03574	0.5
135.04543	0.9
139.00554	0.4
139.04028	0.5
141.01981	0.3
141.05629	1.1
141.97520	0.3
143.03575	0.8
149.04547	0.4
150.03200	0.4
153.05736	0.6
153.59702	0.3
159.02998	0.6
161.04616	2.2
165.00185	0.6
169.05193	0.9
176.28284	0.4
209.11807	0.4
233.40628	0.4
275.07959	0.5
289.16620	2.3
300.02850	1.2
300.76489	0.4
301.03659	0.9
383.06036	1.0
403.19684	4.8
421.20737	8.0
463.09088	1.5
463.26038	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90916	0.5
55.01885	1.3
57.03439	1.1
59.01384	100.0
60.01714	0.8
69.03470	0.6
69.13971	2.2
71.01386	11.2
72.55012	0.4
72.99337	0.5
73.02957	5.0
75.00885	0.5
83.01383	2.1
83.13112	0.4
84.02187	0.5
85.02956	8.3
87.00889	6.3
89.02454	3.7
89.24827	0.4
93.03482	0.5
95.01395	1.3
96.96033	1.2
97.02973	1.8
98.21894	0.9
99.00901	3.6
101.02449	6.3
109.02995	0.5
111.00916	0.7
113.02465	8.3
114.02711	0.5
116.92895	0.5
119.05064	1.8
123.04567	1.9
125.02482	2.1
125.06113	1.7
127.11394	0.7
131.03561	1.0
135.90199	0.4
136.98851	0.4
138.03894	0.6
139.00400	0.6
139.04045	1.0
141.01942	0.5
141.05646	1.2
143.03491	0.9
149.04587	0.6
153.01996	1.9
153.05637	0.6
159.03014	0.6
161.04640	1.9
164.40964	0.4
166.99948	1.4
169.05130	0.9
177.14395	0.5
181.01501	0.4
183.13918	0.8
201.04242	0.5
233.06715	0.9
259.19360	0.6
285.04190	1.8
286.04480	1.2
287.05432	5.3
288.05719	0.7
289.16574	3.2
330.16687	0.6
403.19672	5.9
403.23868	0.7
404.20309	0.7
421.15179	0.7
421.20749	12.7
422.21448	1.7
463.15698	1.0
463.25195	2.6
488.90500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01388	11.3
61.98828	0.6
64.76720	0.4
68.53038	0.4
69.60926	1.9
71.01392	5.2
72.99312	0.6
73.02953	1.6
74.02484	2.9
76.28219	0.4
80.02683	1.1
80.03363	0.4
81.03465	1.3
83.01376	0.8
83.05035	4.5
84.02171	1.1
85.02960	2.3
87.00903	0.6
89.02455	4.0
95.01431	0.7
97.02971	0.7
99.00901	2.6
101.02451	4.5
109.86562	0.4
111.00901	1.0
113.02457	3.5
117.03513	0.9
119.03529	0.6
119.05026	1.1
123.00918	1.3
131.03513	0.4
133.02972	0.7
135.04524	1.1
135.08205	1.1
136.98859	0.6
139.00386	1.3
141.01958	14.1
143.05048	0.6
146.06105	0.6
151.03998	0.4
152.03557	0.6
153.01970	0.7
161.04561	1.9
162.34804	0.4
163.11346	3.3
164.06987	0.4
165.12845	2.6
166.99823	0.4
191.10867	1.0
209.11852	100.0
210.12151	4.5
227.12930	18.2
228.13185	0.8
233.17679	0.5
235.08069	0.6
243.03070	0.5
253.09344	12.3
269.04724	0.9
285.04092	0.8
287.05649	7.5
288.06052	0.7
300.02762	5.9
301.03564	5.7
433.22882	1.2
461.41095	0.5
463.08990	7.8
463.15558	0.8
463.23801	5.5
464.09094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34839	0.4
57.03465	0.3
59.01384	5.5
61.98834	0.5
62.04903	0.4
71.01382	2.8
73.02959	0.6
76.14977	0.3
80.02692	1.1
81.03469	1.0
83.01405	0.5
83.05045	4.4
84.02169	0.9
85.02953	0.9
87.00869	0.5
87.43682	0.3
89.02459	2.9
95.01355	0.4
95.05034	0.7
98.21809	0.7
99.00925	0.3
101.02453	3.1
113.02467	2.0
119.03553	0.9
119.05044	0.9
122.44770	0.4
125.06084	0.4
125.22380	0.4
133.02922	0.3
135.08191	0.5
136.04062	0.6
136.98817	0.4
141.01955	2.0
141.58475	0.3
161.04564	1.1
163.11328	3.5
165.12881	2.8
173.02412	0.3
179.61894	0.3
191.10826	0.8
194.22466	0.4
199.13445	0.3
206.94516	0.4
209.11858	100.0
210.12187	4.7
227.12927	15.5
228.13205	0.9
239.50214	0.3
253.09303	12.6
254.09686	0.4
255.02948	0.5
262.27679	0.3
283.02496	0.4
287.05542	1.5
299.01923	0.4
300.02713	3.9
301.03537	3.8
313.06631	0.4
463.08853	4.6
464.09195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01121	0.5
59.01384	6.4
61.98823	0.7
64.33981	0.3
64.96613	0.4
65.00307	0.5
65.36906	0.4
69.21880	2.1
71.01392	3.0
73.02935	1.1
77.06943	0.4
80.02673	1.0
80.27617	0.4
81.03459	1.4
83.01385	0.7
83.05035	4.9
84.02162	1.0
84.34913	0.3
85.02945	1.0
87.00922	0.5
89.02446	2.5
95.05041	0.8
97.06582	0.4
99.00874	0.6
101.02460	3.8
109.06650	0.4
111.00847	0.5
113.02433	1.4
117.03514	0.4
119.03527	1.0
119.05030	0.5
125.02448	0.7
125.06062	0.6
126.20312	0.4
133.02963	0.7
135.04576	0.6
135.08179	0.6
136.98845	0.8
137.02504	0.4
141.01950	2.2
152.20341	0.4
161.04555	1.7
163.11290	2.9
165.12840	2.8
179.05603	0.5
181.12389	0.7
191.10818	0.8
199.13370	0.8
209.11839	100.0
210.12154	4.8
227.03348	0.5
227.12906	16.3
228.13277	0.6
253.09303	12.7
254.02550	0.4
255.02879	0.6
282.00583	0.4
283.02652	0.7
285.04089	0.6
286.04492	0.4
287.05573	2.1
299.01947	0.5
300.02747	5.9
301.03497	5.7
302.03857	0.7
356.95605	0.4
455.87640	0.4
463.08804	6.3
463.21835	1.0
464.08823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45300	0.4
55.01892	0.9
57.03437	0.8
59.01386	100.0
60.01708	0.8
61.98830	0.5
69.03472	0.7
69.53570	1.0
69.53972	1.3
71.01391	8.2
72.99318	0.8
73.02956	3.6
78.16299	0.4
78.95925	0.5
79.53249	0.5
81.03474	0.6
83.01407	1.5
85.02965	8.4
87.00872	5.8
87.75391	0.4
89.02475	2.0
89.62345	0.5
95.01405	0.9
95.05147	0.6
97.02990	1.1
97.06628	0.5
99.00902	1.9
101.02465	4.5
109.02952	0.6
111.00897	0.5
111.04558	0.8
113.02460	6.7
113.75186	0.4
115.03983	0.6
119.05110	0.7
123.04542	2.8
125.02504	1.3
125.06107	2.3
127.11303	1.0
128.24586	0.5
131.03522	0.5
135.04575	1.5
141.05617	1.3
143.03548	1.1
153.05649	0.5
161.04601	2.2
165.00136	0.7
169.05139	0.7
183.13918	0.8
242.31700	0.5
286.04837	0.5
289.16547	2.7
300.02881	1.7
301.03729	1.5
383.05936	0.9
403.19550	5.9
404.20227	0.6
421.20721	7.1
455.18155	0.5
463.09067	1.6
463.26184	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	464.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00303	0.3
65.99854	0.5
69.85129	0.5
69.85457	0.6
88.88012	0.3
95.01378	0.4
96.00906	0.5
98.02500	0.4
98.21957	0.4
107.73014	0.3
109.93995	0.3
110.02484	3.0
111.00845	0.3
120.00880	0.3
120.60599	0.3
122.02502	1.3
123.03281	4.9
126.76860	0.4
129.49371	0.3
133.02994	0.3
134.02513	4.1
134.03612	0.4
135.03267	5.1
136.00444	2.3
138.01984	2.5
145.22583	0.3
150.01889	0.4
151.02744	4.9
155.02222	1.4
157.06509	0.3
161.02458	0.5
166.01459	1.4
171.04564	0.5
173.06071	0.4
186.07188	0.3
192.03073	2.4
193.05048	1.1
197.06039	0.6
200.07182	0.9
224.07147	0.9
225.05479	0.3
226.08737	2.1
227.07220	0.7
228.06589	1.7
242.08243	40.0
243.08554	2.0
252.06853	0.7
254.05859	0.7
268.05954	0.5
270.07727	100.0
271.08078	5.6
278.08160	0.5
285.41745	0.3
308.48969	0.3
354.09933	0.4
447.88754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25645	0.4
59.20934	0.3
68.99817	0.3
69.34766	1.8
71.08273	0.4
96.00897	0.4
110.02492	3.4
117.03490	0.4
122.02496	0.9
123.03252	5.0
133.02953	0.5
134.02499	3.7
135.03262	6.3
136.00380	2.0
138.01984	1.8
150.01950	0.5
151.02730	5.4
155.02277	0.9
161.02486	0.7
166.01450	1.5
171.04456	0.5
192.03023	2.9
193.05042	1.6
200.07126	0.8
222.47176	0.3
224.07162	0.8
225.05588	0.4
226.08754	2.1
227.07170	0.7
228.06633	1.4
231.71614	0.4
242.08238	41.5
243.08562	2.5
252.06638	1.3
268.06158	0.5
270.07724	100.0
271.08063	6.4
278.08160	1.0
312.82074	0.4
361.03500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31140	0.3
59.01383	1.5
61.98834	100.0
71.01389	0.4
78.10770	0.3
83.01421	0.4
98.22655	1.0
113.02470	0.8
116.92812	0.4
119.05062	1.6
120.05361	0.6
120.77695	0.3
135.06111	0.3
153.01964	0.9
153.22414	0.3
166.99889	0.7
168.00238	0.5
193.03215	0.3
209.11928	1.0
241.05095	0.6
241.63937	0.4
242.05624	0.3
258.08524	0.4
287.05771	1.4
288.05942	3.1
301.03671	0.4
302.03973	0.5
303.05096	0.4
464.14053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52906	0.9
59.01381	18.3
61.98834	100.0
62.69309	0.8
69.59795	3.6
71.01391	1.5
78.95913	5.3
85.02984	0.9
87.00893	1.6
113.02437	1.6
119.05068	2.8
152.99609	1.4
162.83894	1.1
164.83629	2.7
165.59099	0.9
195.00743	0.9
220.99448	1.0
260.33640	1.0
267.23029	0.9
270.48206	1.1
288.05838	1.7
312.34961	0.9
315.17978	1.1
329.23074	1.4
330.23553	1.3
465.14798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	3.3
59.01387	41.8
69.74403	4.6
71.01380	41.3
73.02968	12.6
83.01404	4.5
85.02950	16.3
89.02442	27.2
98.22572	5.1
99.00944	3.6
101.02454	25.6
109.02955	8.0
111.00885	4.0
113.02470	11.1
125.02502	5.6
131.03529	12.7
149.04561	9.5
161.04572	7.4
176.59183	2.7
233.06725	5.4
289.16608	24.5
293.15656	3.2
378.98795	3.6
421.20847	100.0
422.21292	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	464.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89116	3.8
52.70347	4.4
54.54232	4.3
59.01386	40.1
61.98825	24.7
71.01389	50.8
73.02946	33.1
77.51814	4.0
77.59933	3.5
78.95927	10.8
83.01410	7.1
85.02969	26.1
89.02479	13.8
95.01357	3.7
98.22636	14.3
99.00902	11.1
101.02457	40.6
113.02470	17.3
119.05055	7.5
125.02447	5.4
133.02965	9.4
135.04543	7.5
159.03088	4.3
161.04596	14.5
213.62888	3.8
229.08730	6.2
253.29391	4.0
279.56375	4.0
289.16602	24.1
301.03290	6.1
302.03754	5.5
369.09808	16.1
401.12415	14.6
421.20853	100.0
422.21216	7.6
463.25430	7.6
464.09323	7.4
464.25858	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	464.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.9
61.98836	100.0
69.09393	1.3
69.09793	3.3
71.01406	2.1
79.67303	0.7
85.02966	0.8
87.00887	0.6
87.04541	1.0
88.98838	2.5
90.05498	0.6
101.02444	1.3
107.92883	0.8
113.02510	2.1
119.05045	1.2
133.25034	0.7
135.04564	0.9
137.02496	0.6
148.91093	0.8
161.04572	0.9
176.72276	0.6
192.96027	0.9
291.18216	0.8
405.21216	1.2
423.22733	1.7
465.93414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37714	0.6
59.01385	12.7
61.98835	100.0
64.18574	0.7
69.11049	2.6
69.11449	2.0
71.01386	1.9
73.02946	1.0
85.02986	0.7
89.02448	1.5
95.10469	0.7
99.00893	1.6
101.02445	1.6
113.02454	1.2
129.10820	0.7
135.28006	0.9
149.52895	0.7
164.59798	0.7
231.20763	0.8
288.06143	1.2
291.18176	0.8
415.98367	0.7
464.25613	0.8
465.23483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0964
Annotation	Shoreaphenol
Peak:m/z	Relative Intensity
50.79662	1.1
51.21273	1.0
55.60103	1.0
58.05029	1.2
59.26956	1.1
65.00320	1.1
68.99818	3.3
69.26942	7.1
76.24693	1.1
81.03454	3.3
89.00341	2.7
103.89222	1.2
109.01658	2.0
113.00346	1.3
120.00867	1.4
120.92075	1.2
122.02506	1.1
123.03300	2.1
123.75862	1.0
124.04054	74.7
125.04379	2.3
133.12413	1.6
134.02507	2.8
135.03247	2.4
138.01973	2.2
151.00337	1.9
151.02779	3.0
156.99309	1.5
158.00148	1.5
160.98831	5.5
168.03032	74.1
169.03351	3.7
171.04543	32.2
177.07150	4.0
178.65981	1.1
184.98875	6.2
188.98317	3.2
189.07089	2.2
192.03024	1.7
201.99037	2.3
202.99771	1.5
205.06561	2.9
209.06108	1.3
217.06592	3.1
221.06114	1.5
228.97798	19.6
237.05667	3.3
238.88182	1.1
241.98668	3.8
242.08228	20.6
245.05977	1.2
256.97302	3.9
261.05618	5.0
264.09366	1.3
265.05127	2.5
270.05026	2.3
270.07742	29.5
271.08130	3.0
277.04919	1.4
289.05066	28.8
289.08246	1.9
290.05438	2.7
296.05597	7.8
305.04520	3.4
315.02924	1.7
333.04062	62.0
334.04465	5.4
361.03561	100.0
362.03912	9.9
421.10507	2.1
437.10107	1.5
465.09738	71.4
466.09879	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	465.0983
Annotation	Shoreaphenol
Peak:m/z	Relative Intensity
62.33392	0.4
65.00311	2.5
69.03799	2.2
69.04207	1.3
78.95908	3.8
89.00335	16.0
89.94342	0.4
92.03260	0.4
113.00336	6.6
116.99837	4.0
120.99333	1.4
132.99294	1.0
144.99312	0.9
152.99625	1.5
156.99350	3.6
160.98820	53.7
161.99191	1.3
171.04547	0.7
177.07146	0.5
184.98807	26.0
185.99115	1.0
188.98306	47.6
189.98659	1.7
200.93080	0.5
200.98314	1.2
212.98283	2.0
217.06573	0.7
228.97787	62.0
229.98140	2.6
233.06180	0.6
249.05328	0.6
256.97290	82.9
257.97562	4.1
265.05051	5.0
270.07611	0.6
271.08118	0.8
289.05173	1.9
291.02951	0.8
293.04669	0.8
317.04507	0.5
333.04059	6.2
334.11688	0.5
361.03564	100.0
361.99704	0.8
362.03876	8.7
465.09805	66.3
465.22604	1.6
466.10120	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	465.1042
Annotation	(2S,3S)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
57.03450	2.1
59.01386	40.2
61.98848	5.2
62.57161	0.8
69.03493	0.9
69.50986	3.9
71.01392	9.2
72.99316	1.0
73.02966	1.0
78.93344	0.7
81.03471	4.7
83.01405	3.1
85.02945	1.9
89.02460	8.2
92.88213	0.8
93.03475	1.6
95.01411	1.1
95.05064	1.6
97.02970	3.2
99.04536	3.9
101.02451	5.4
108.02193	3.3
109.02965	52.3
110.03288	1.0
113.02474	5.0
116.92815	0.9
119.03550	4.4
119.05066	1.0
119.64719	0.8
121.02991	6.7
123.00903	1.9
123.04561	2.7
125.02459	16.5
134.72583	0.8
135.04529	0.9
137.02464	15.4
139.04002	2.1
143.03552	1.2
147.04617	1.1
149.02466	3.1
149.09737	3.6
151.00417	1.3
153.01965	2.2
153.09224	2.8
153.98367	0.9
154.86865	0.8
161.02431	1.5
161.04604	2.0
161.05949	0.9
163.00410	1.2
164.01198	2.7
165.01955	30.8
166.02269	1.5
167.03516	54.6
167.10788	11.9
168.03819	2.3
174.03214	1.5
175.04016	3.0
176.01196	1.1
177.01996	5.6
178.02710	1.4
179.05626	2.9
189.05594	2.1
191.03528	2.0
193.01442	23.8
193.05086	3.8
199.04004	2.4
215.03714	0.9
217.05077	7.2
219.03053	1.5
225.15031	1.4
231.06665	1.0
235.06087	1.1
241.05112	3.1
243.02928	1.8
243.15997	1.6
257.04538	1.0
259.06116	7.6
275.05603	1.4
285.04114	14.7
286.04330	1.4
303.05133	100.0
304.05508	6.7
326.75723	0.9
405.21259	6.2
406.39279	0.8
447.09460	1.8
465.10257	21.8
465.15903	1.6
466.10855	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	465.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
65.00375	0.3
69.37676	1.5
71.01385	1.3
72.21960	0.3
79.95739	0.4
81.03471	1.0
83.01391	0.4
85.02965	1.1
85.96529	0.3
91.01895	0.9
93.03465	0.5
95.01416	0.5
99.00919	0.3
101.02450	0.5
107.01451	0.5
108.02180	10.6
109.02961	78.4
110.03281	2.2
111.29221	0.3
113.02477	1.3
119.05020	1.7
120.05418	0.9
123.00888	0.3
123.03761	0.3
123.04556	1.0
127.72910	0.3
135.04541	0.3
136.98801	0.4
137.02542	0.4
139.00429	0.9
149.02475	0.3
151.00351	0.3
152.01170	7.8
153.01955	100.0
154.02301	3.5
155.02533	0.6
163.04102	0.8
164.04774	0.9
166.99869	1.3
167.03522	3.0
168.00276	0.6
169.00372	0.6
179.07150	0.5
181.01376	0.6
183.01834	0.4
205.05090	0.4
206.04565	0.5
287.05637	2.2
288.05948	2.2
289.06204	4.4
296.05692	0.3
297.06192	1.3
311.07809	2.8
315.07120	0.6
421.11270	0.4
465.10336	10.2
466.08047	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	465.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53183	0.9
57.03440	1.3
59.01382	20.9
59.54073	1.2
69.24616	6.7
71.01389	12.8
73.02937	3.0
83.01404	2.1
83.54441	1.1
85.02980	5.9
87.00876	2.0
89.02442	8.6
91.01892	4.4
93.03478	2.8
95.01398	1.7
99.00894	1.3
101.02447	7.6
107.01409	2.7
108.02208	8.4
109.02967	18.8
109.06548	1.3
111.00884	3.0
113.02450	7.8
115.37019	1.0
117.97324	4.2
119.03526	3.6
119.05038	1.1
121.06628	1.5
122.03766	1.4
123.04534	27.6
124.01679	1.2
125.02473	2.0
131.03467	2.0
134.03743	1.8
135.04530	23.7
139.00340	1.0
149.06049	2.3
151.00400	5.9
151.04085	1.1
152.01155	10.9
153.01949	25.7
153.05562	6.7
161.02475	2.4
166.02748	6.3
167.03505	39.8
179.03539	5.3
181.05096	3.2
194.02246	4.3
195.02969	9.3
209.04547	27.3
210.04929	1.3
223.06131	1.0
239.05620	2.4
245.65120	1.1
247.29800	1.1
249.09250	1.1
255.05133	6.1
269.06677	4.2
297.06573	1.8
297.09607	2.3
311.07813	4.9
315.10892	12.1
384.12476	6.6
465.14105	100.0
466.14627	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	465.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50875	0.5
55.01854	0.7
57.03423	0.7
59.01380	2.7
67.01886	1.5
68.63538	0.5
68.99825	0.7
69.18182	2.2
69.18594	1.1
71.01393	7.9
73.02955	2.1
78.88454	0.5
81.03462	5.1
83.01405	1.9
85.02960	2.8
87.00893	0.8
89.02451	0.6
91.01900	2.7
95.01392	2.0
96.99303	1.1
97.02956	1.2
101.02460	4.5
107.01399	10.3
107.05034	3.0
108.02187	12.1
109.02968	3.8
110.03723	0.6
111.00892	1.6
113.02444	3.2
120.02184	6.7
121.02940	0.5
122.03761	1.7
123.00899	2.5
123.03618	0.9
123.04537	17.3
124.01675	0.8
125.02450	4.2
125.09344	0.6
135.04538	0.7
136.01657	0.9
138.03233	16.2
138.72859	0.5
151.00371	11.5
151.04027	1.1
152.01172	18.3
153.02028	6.7
153.05586	100.0
154.05882	3.1
156.50024	0.6
162.03224	0.9
163.03998	0.6
166.02736	2.4
167.03505	42.8
168.03889	1.4
179.03500	0.8
181.05092	1.3
195.02995	0.7
204.82906	0.5
209.04568	0.6
212.58623	0.6
251.05554	0.8
287.04840	0.8
288.06177	0.8
296.05365	4.4
311.07755	64.9
312.08023	3.8
443.32892	0.6
450.11383	1.1
465.14032	62.5
466.14322	6.5
480.28812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1407
Annotation	Curculigoside
Peak:m/z	Relative Intensity
59.01372	2.1
61.95122	0.7
61.98819	1.2
65.99986	0.8
67.52645	0.8
69.46069	1.5
69.46456	1.5
71.01379	1.8
73.02941	0.9
73.77322	0.7
77.36385	0.8
80.02675	1.2
81.03463	13.4
83.01392	0.9
85.02982	1.2
93.03454	3.2
95.01397	1.4
96.63739	0.7
97.02982	0.7
101.02439	1.3
108.02189	5.7
109.02956	4.5
111.00893	2.6
119.05032	1.2
121.02969	39.3
122.03756	54.4
123.00906	3.0
123.04549	35.6
124.01696	1.5
125.02459	6.1
133.02933	0.9
135.04546	13.6
136.01706	0.9
136.05341	1.3
136.98865	0.8
137.02490	4.9
137.06102	32.6
138.03226	0.9
138.06343	0.8
139.00400	4.5
141.01933	2.1
149.02469	5.6
152.01147	0.9
153.01956	3.8
153.36047	0.7
158.28105	0.7
161.02516	1.1
165.01915	1.6
165.99214	0.9
166.02618	0.8
166.99884	10.7
167.03526	3.7
181.01440	1.5
193.01384	0.8
202.06277	0.7
217.04988	1.1
217.15718	0.7
236.61794	0.7
243.06589	5.2
244.07410	21.8
257.08142	1.7
259.09763	75.5
260.10092	3.8
277.48730	1.0
285.04111	2.2
285.07690	14.8
286.08118	1.6
303.05133	18.4
303.08795	28.6
304.09094	1.7
329.05023	1.1
465.14111	100.0
466.14471	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	77.7
63.29984	0.8
69.79184	1.8
69.79572	1.6
137.02441	3.0
139.00911	0.9
141.00458	2.7
159.01530	5.2
161.16194	0.9
165.01945	31.1
166.02353	1.1
180.04303	27.5
181.04642	1.4
195.06636	100.0
196.07089	4.4
197.51733	1.0
198.99623	1.0
201.02518	1.9
212.11446	0.8
217.00545	2.0
219.76790	0.9
225.07547	1.0
239.05695	0.9
241.00621	1.2
243.03606	2.0
243.08759	18.5
244.09117	0.9
245.45372	0.9
255.24806	0.9
259.01617	1.3
270.08536	1.0
274.99557	3.0
301.02573	5.2
311.28784	0.9
315.02808	1.7
317.00754	7.0
359.01907	5.1
401.02792	12.9
402.02777	1.9
410.44312	1.0
416.87091	0.9
465.01740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18089	6.6
59.01383	87.8
60.99304	10.4
61.98833	86.1
64.45402	7.5
69.21684	37.8
71.01382	26.5
85.02950	20.6
88.98812	100.0
89.02463	13.5
97.32150	7.0
101.02466	17.3
113.02434	10.0
119.05087	15.3
132.02209	8.5
135.04607	11.4
141.62619	7.1
160.01680	20.9
161.50722	8.4
164.04256	7.9
175.04013	28.5
192.95845	14.2
423.22366	21.6
465.21414	23.7
476.96045	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23212	1.1
55.01880	6.9
57.03454	4.7
59.01387	100.0
59.21280	1.0
61.98836	2.5
69.26566	2.2
69.26968	3.8
71.01389	82.0
72.99321	2.6
73.02955	28.9
81.03490	2.4
83.01404	13.0
85.02958	37.2
87.00889	6.6
89.02450	19.9
95.01382	6.4
96.95986	1.1
97.02978	3.3
98.25124	1.1
99.00899	8.7
101.02454	59.0
103.04026	2.6
108.02183	1.4
111.00928	1.1
113.02460	33.7
119.03524	6.1
123.04543	36.2
124.04874	1.3
125.02462	6.4
131.03514	7.4
140.43022	1.2
143.03531	4.3
149.04564	2.1
151.00423	2.3
152.01114	2.1
153.02031	1.3
153.05597	29.2
159.03038	5.3
161.04570	31.7
161.05862	2.1
167.03505	10.0
179.05655	9.6
179.07083	2.1
209.11865	3.8
210.12207	1.8
211.12453	2.1
221.06696	16.1
228.82962	1.2
261.13400	11.1
263.07806	2.9
283.86426	1.2
302.03580	1.1
303.04025	2.3
303.14496	2.8
311.07770	27.0
333.19339	2.6
423.18762	41.7
424.19482	1.7
465.09164	3.5
465.14307	2.3
465.19379	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	5.5
57.03463	4.3
59.01384	100.0
61.98835	5.4
69.10099	3.9
69.10514	2.0
71.01388	75.8
72.01730	1.4
72.99316	1.7
73.02950	30.3
75.00850	1.5
83.01394	13.6
85.02959	30.6
87.00864	7.2
89.00674	1.6
89.02456	35.3
95.01390	5.6
97.02991	2.4
99.00887	6.4
101.02453	62.5
102.02826	1.0
108.92319	0.9
111.00889	1.0
113.02460	36.1
119.03538	12.2
119.05006	1.9
125.02483	6.3
129.01949	1.4
131.03523	8.8
143.03514	6.6
149.02454	0.9
149.04549	3.4
159.03012	5.5
161.04579	34.3
163.04016	1.7
164.04839	1.7
164.23930	0.9
165.05574	1.6
179.04068	1.8
179.05627	25.4
179.07181	1.9
190.02777	1.0
203.05618	1.2
206.04607	1.5
221.06667	33.1
229.14452	3.5
243.78694	0.9
261.13507	1.1
263.07721	5.7
301.03448	2.1
302.03345	2.6
303.03973	1.4
345.10004	1.0
361.14819	0.9
391.62503	1.1
423.18753	33.3
423.24448	2.1
424.19138	2.0
465.09311	5.0
465.19595	13.3
466.08197	6.1
466.19907	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43246	2.5
59.01385	100.0
61.98847	5.7
62.99373	2.9
69.88897	7.8
71.01400	10.5
78.95928	6.5
85.02933	3.5
89.02435	6.2
96.96019	34.0
98.22727	3.0
101.02425	3.1
101.06079	4.4
111.00880	3.9
113.02468	7.7
117.03478	3.8
117.05585	9.3
119.05067	7.1
135.04556	7.7
152.99535	3.2
172.05261	2.5
183.13936	3.7
196.02541	3.5
201.09109	4.8
213.14980	19.4
229.08791	14.1
236.31499	2.6
251.14526	3.0
301.17807	2.9
329.17514	3.2
368.09088	4.8
465.15283	19.0
465.24890	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	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03457	0.8
59.01384	100.0
60.01720	0.7
62.85097	0.2
69.03468	0.5
71.01389	4.4
72.99306	0.5
73.02949	2.8
81.03472	0.5
83.01418	1.1
83.05063	0.3
85.02958	6.8
87.00887	5.8
87.01394	0.4
89.02470	1.0
93.03508	0.4
95.01379	0.6
95.05059	0.3
97.02973	0.6
97.06623	0.4
99.00887	1.5
101.02461	4.0
108.02217	0.7
110.03733	0.3
111.00912	0.4
112.01714	0.5
113.02458	4.0
115.04002	0.2
123.04517	1.9
125.02460	0.8
125.06085	2.3
127.11404	0.4
129.01947	0.3
129.12886	0.5
135.04594	0.3
139.04051	0.5
141.05643	1.3
143.03526	0.5
153.05573	0.5
161.04526	1.4
169.05151	0.9
170.72063	0.2
206.89101	0.3
214.25792	0.3
229.41281	0.3
291.18146	3.6
312.10846	0.2
331.17560	1.9
405.21310	5.8
406.21753	0.7
423.22449	6.8
424.22614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97948	0.8
59.01388	100.0
60.01698	1.0
66.02390	0.8
69.45573	2.7
71.01391	17.4
72.99314	1.1
73.02959	2.6
73.63293	0.9
75.00838	1.2
85.02959	3.6
88.01626	0.8
89.02457	27.7
95.01417	1.2
101.02463	10.0
108.32159	0.9
113.02462	7.9
116.93492	0.8
118.40318	0.7
119.03518	13.2
131.03493	1.8
143.03510	2.7
149.04587	1.1
161.04587	5.4
179.05630	15.0
183.50989	0.9
210.05623	1.1
218.24083	0.9
272.11966	0.8
322.17007	0.9
331.17627	2.7
405.16412	1.1
405.21368	16.1
406.21631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.4
59.01386	100.0
59.32066	1.1
61.98836	4.3
67.96418	1.1
69.04010	8.3
71.01392	21.3
72.99321	1.4
73.02962	1.7
75.00873	1.8
78.95930	1.4
84.15630	1.1
85.02962	3.2
89.02449	24.9
89.02954	2.0
95.01456	1.3
96.96005	1.2
97.06607	1.4
101.02463	11.2
110.94080	1.4
113.02454	9.4
116.92869	2.1
119.03515	12.3
121.02998	1.1
123.08199	1.3
131.03511	1.6
133.05180	1.4
134.07443	1.2
136.00914	1.2
136.04047	1.3
139.07655	1.2
143.03494	1.8
149.09729	13.1
151.03894	1.4
153.09209	4.2
161.04610	6.7
162.04924	1.7
167.10794	26.6
168.11136	1.8
179.05653	10.1
204.92314	1.3
206.92111	1.2
210.05568	3.2
225.15027	4.5
243.16019	5.4
289.07184	2.3
405.21350	16.2
406.21698	1.7
465.19025	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	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.3
57.03451	1.8
59.01384	100.0
60.01721	0.5
61.98839	1.4
69.03481	0.8
69.22732	2.1
69.23136	0.9
71.01389	25.2
72.99305	0.9
73.02953	21.0
83.01395	5.4
85.02956	14.1
86.00098	1.0
87.00881	1.8
89.02448	4.8
95.01411	2.4
96.98605	0.4
97.02963	2.4
98.21783	0.8
99.00885	8.8
101.02449	30.0
102.02837	0.4
103.05138	0.5
111.00902	0.5
112.01717	0.7
113.02457	12.5
116.07417	0.4
119.05057	0.5
125.02471	1.3
129.01952	0.9
129.12891	0.6
131.03510	2.1
133.02971	0.5
135.04596	0.6
143.03511	1.7
157.32072	0.4
157.95348	0.5
159.02989	2.8
161.02507	1.0
161.04576	8.9
225.14929	1.0
273.17151	3.3
291.18149	28.5
292.18518	1.5
333.19144	3.1
374.25885	0.5
405.21329	1.2
423.22415	42.4
424.22778	4.0
428.85815	0.4
465.23416	42.5
466.23764	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	465.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59013	0.4
55.01872	1.6
57.03446	1.1
59.01388	60.8
60.01706	1.1
69.88452	2.0
71.01019	1.0
71.01386	12.1
73.02956	6.9
83.01402	3.8
85.02956	8.1
86.00110	0.7
87.00879	1.2
89.02444	2.0
90.96522	0.5
95.01398	1.5
97.02956	0.9
99.00894	2.0
101.02457	11.3
111.00934	0.7
113.02473	5.2
117.03510	0.9
119.25060	0.5
122.76666	0.6
125.02462	0.6
126.18568	0.5
129.01964	0.6
159.03011	1.1
161.04573	2.1
173.20755	0.5
243.19566	0.7
285.04071	1.2
286.04404	1.3
287.04688	3.7
288.04871	1.8
289.05185	3.0
298.65814	0.6
322.42688	0.5
345.10223	0.6
392.40735	0.5
394.70297	0.5
405.24854	3.2
447.26001	4.6
465.27087	100.0
466.27359	8.2
485.38034	0.6
487.62726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82961	1.1
56.85438	1.0
58.54200	1.1
59.01387	100.0
60.33694	1.1
61.98841	1.6
74.85517	1.3
78.95940	1.4
81.03453	2.5
83.32114	1.1
85.02927	1.3
99.04531	2.3
110.86433	1.2
117.03466	1.5
119.05035	2.3
122.02463	2.8
132.02161	3.3
133.02953	1.7
134.03741	1.5
135.04587	2.4
136.98813	1.4
152.99615	1.6
160.01723	8.4
175.04037	13.3
187.07744	1.7
193.05122	1.7
253.21762	1.1
286.04684	1.8
335.09378	1.7
368.09045	2.6
381.09903	1.7
383.10883	1.6
405.29742	1.3
465.15640	2.6
465.21204	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	466.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97847	2.1
71.01358	1.4
72.00898	2.8
79.65398	0.8
79.95311	1.5
79.95745	24.6
80.96529	4.2
81.15421	0.9
82.02975	1.3
85.02958	0.9
93.03439	2.4
100.00411	7.1
107.05001	3.6
108.02184	8.4
109.02996	18.2
110.03292	5.5
119.05037	27.4
120.05319	2.4
121.02943	2.4
125.02447	1.6
133.05290	1.1
134.06142	12.2
135.06451	0.9
149.02446	21.2
150.03070	1.2
151.04045	0.9
152.01166	7.3
153.01979	17.8
153.58278	0.8
154.01341	0.8
154.02292	8.7
155.71396	0.8
159.06357	0.8
160.03969	1.0
163.02747	1.4
163.04019	20.5
164.03513	1.4
164.04803	26.4
165.05402	1.5
166.29074	0.8
166.99794	1.0
167.03497	1.2
168.03748	1.2
175.00429	4.9
177.01917	2.4
178.04997	1.7
178.06337	4.9
179.07150	20.2
180.06601	7.5
187.90001	1.0
188.03481	0.9
190.02724	18.9
191.03427	1.7
192.02922	0.9
193.03723	1.0
193.07361	1.2
199.00641	1.8
199.71986	0.8
205.03326	1.3
205.05083	21.0
206.04587	19.6
206.07780	1.0
207.04939	1.0
207.06715	1.1
208.06165	5.4
214.01790	9.3
220.06099	1.7
287.05444	1.4
288.06042	2.2
289.06137	2.4
290.06412	3.5
297.05991	1.0
298.06628	1.1
307.02408	0.8
308.45679	1.1
312.08719	4.0
327.11087	8.4
342.13562	6.0
352.03046	0.8
386.12405	5.6
422.09082	12.2
423.09586	1.2
460.03973	0.9
466.08069	100.0
467.08267	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	466.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
59.08519	0.5
65.00307	0.5
67.58472	0.5
69.48552	2.6
71.01397	0.5
72.00916	3.5
73.11935	0.5
79.95747	38.3
80.96523	2.5
93.03465	1.8
96.95997	0.6
100.00420	11.6
107.05051	4.1
113.02478	0.6
117.03491	0.9
119.01378	0.8
119.05047	31.4
120.05383	1.6
121.02959	2.1
133.05327	1.7
134.06137	11.5
134.07085	1.0
135.04605	1.1
136.64937	0.7
136.98863	0.9
149.02458	21.8
150.03181	1.2
163.04018	24.3
164.04820	31.4
164.98254	0.5
165.05347	1.8
175.00374	6.4
177.01941	1.4
177.23741	0.6
178.06413	4.2
179.07150	22.4
180.06633	6.5
187.76430	0.5
190.02733	21.6
191.03380	1.6
193.03818	1.4
199.00755	0.8
204.03119	0.6
205.05089	26.9
205.07028	1.3
206.04585	37.0
207.04985	1.6
208.06265	2.7
208.34601	0.6
209.06604	0.5
214.01784	8.8
220.06209	1.8
233.10120	1.0
284.03250	2.4
284.10403	0.8
312.08673	1.6
323.01761	1.2
326.10217	0.6
327.11121	4.7
342.13599	4.4
386.12497	22.1
386.97906	10.2
387.12857	1.8
422.09091	4.5
466.08160	100.0
466.93753	3.4
467.08386	10.8
467.18561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97847	2.1
71.01358	1.4
72.00898	2.8
79.65398	0.8
79.95311	1.5
79.95745	24.6
80.96529	4.2
81.15421	0.9
82.02975	1.3
85.02958	0.9
93.03439	2.4
100.00411	7.1
107.05001	3.6
108.02184	8.4
109.02996	18.2
110.03292	5.5
119.05037	27.4
120.05319	2.4
121.02943	2.4
125.02447	1.6
133.05290	1.1
134.06142	12.2
135.06451	0.9
149.02446	21.2
150.03070	1.2
151.04045	0.9
152.01166	7.3
153.01979	17.8
153.58278	0.8
154.01341	0.8
154.02292	8.7
155.71396	0.8
159.06357	0.8
160.03969	1.0
163.02747	1.4
163.04019	20.5
164.03513	1.4
164.04803	26.4
165.05402	1.5
166.29074	0.8
166.99794	1.0
167.03497	1.2
168.03748	1.2
175.00429	4.9
177.01917	2.4
178.04997	1.7
178.06337	4.9
179.07150	20.2
180.06601	7.5
187.90001	1.0
188.03481	0.9
190.02724	18.9
191.03427	1.7
192.02922	0.9
193.03723	1.0
193.07361	1.2
199.00641	1.8
199.71986	0.8
205.03326	1.3
205.05083	21.0
206.04587	19.6
206.07780	1.0
207.04939	1.0
207.06715	1.1
208.06165	5.4
214.01790	9.3
220.06099	1.7
287.05444	1.4
288.06042	2.2
289.06137	2.4
290.06412	3.5
297.05991	1.0
298.06628	1.1
307.02408	0.8
308.45679	1.1
312.08719	4.0
327.11087	8.4
342.13562	6.0
352.03046	0.8
386.12405	5.6
422.09082	12.2
423.09586	1.2
460.03973	0.9
466.08069	100.0
467.08267	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	466.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09611	2.8
55.01861	2.8
57.03461	3.3
59.01389	72.2
60.01723	4.5
61.98841	32.8
71.01389	69.2
71.05025	4.9
72.01724	4.2
72.99329	4.3
73.02948	19.6
83.01423	9.7
85.02967	28.1
87.00900	7.6
88.04074	4.8
89.02452	29.6
91.01902	5.3
92.02236	3.7
94.51209	3.0
95.01399	5.9
97.02987	5.8
99.00905	9.0
101.02456	46.8
101.06108	4.1
102.02821	5.8
108.02187	8.6
111.00938	4.3
113.02471	33.7
119.03555	7.8
123.04560	33.2
124.04864	17.0
125.02459	8.1
125.05008	5.2
131.03560	4.0
133.05069	3.0
143.03519	4.8
146.08263	14.0
150.03189	3.1
151.00410	8.4
151.06146	5.0
152.01143	6.6
153.01752	5.6
153.06685	3.9
154.01564	3.4
159.03076	4.4
161.04578	43.4
166.02727	6.6
167.03510	75.5
168.03877	63.2
169.04012	38.9
170.04341	19.0
181.05048	3.8
182.05627	3.3
194.02232	5.1
195.02708	3.2
196.02777	4.0
198.63646	3.6
205.05196	3.2
209.04582	31.1
210.04915	28.5
211.05132	24.7
212.05373	17.6
218.10416	5.5
240.06027	5.0
265.09387	3.1
269.06845	5.6
270.07104	11.2
271.07269	9.7
272.07474	6.8
300.04614	2.9
304.06055	29.9
314.08640	4.0
353.12506	3.1
360.96207	3.3
410.72562	3.0
431.15588	4.4
455.98688	3.2
465.14993	18.0
466.15536	100.0
467.16504	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	466.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	15.9
61.58801	2.0
61.98832	5.9
69.03448	4.1
69.07102	12.6
69.07524	4.9
70.02970	2.1
73.02952	2.4
76.87197	2.0
83.01432	4.5
84.00902	3.2
85.02952	3.1
89.02452	2.6
93.03470	33.2
95.01402	2.4
96.96014	2.7
116.92888	2.8
117.03484	52.6
118.03020	3.8
118.03770	3.7
119.05031	6.1
121.02968	3.5
121.06586	2.9
123.04600	3.1
125.02451	2.8
127.05141	9.3
128.03558	9.6
132.04590	2.6
133.02948	4.3
134.03775	4.1
135.04530	8.8
137.02463	6.7
137.06111	3.3
138.05577	3.0
143.05060	4.0
145.06577	3.2
147.04552	10.8
147.08121	4.8
148.01646	3.1
148.03944	2.7
149.06039	2.7
158.03734	2.8
159.04527	6.4
160.04048	5.1
161.02449	14.0
162.05635	9.1
163.04041	2.6
163.07693	11.2
164.07182	2.2
174.05717	4.0
175.02737	3.0
175.07703	5.4
176.03519	4.7
185.02423	4.2
187.07722	3.4
188.03506	3.9
189.05602	8.8
191.07153	22.5
192.07420	3.4
203.03435	5.2
207.06589	3.8
215.03648	2.4
215.07062	5.0
216.06696	15.8
217.05008	2.8
218.08249	6.2
229.08691	8.9
230.08226	7.9
232.09857	3.5
233.08217	5.1
234.60518	2.3
237.05577	3.1
241.06660	5.5
242.04680	2.3
244.09938	2.4
246.07762	5.7
246.88615	2.5
250.06053	2.1
253.04977	4.1
256.09814	2.9
258.07635	9.6
260.09341	36.8
270.07806	3.6
272.09436	12.6
274.07205	7.2
274.10703	3.4
275.10413	10.4
281.04514	11.1
283.06042	7.7
284.05878	3.7
284.09390	6.9
286.07266	3.0
298.07248	5.7
302.10358	87.7
303.10599	6.2
307.09802	3.4
310.04492	3.1
328.08493	5.0
335.09311	5.0
346.09631	5.4
353.10303	65.0
354.10675	7.2
378.09854	19.9
392.11441	8.2
394.13025	3.6
404.11353	7.0
422.12509	50.6
423.13150	5.5
465.27176	4.3
466.11462	100.0
466.18002	5.3
466.27338	5.4
467.11716	12.8
467.17239	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	466.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31346	5.2
53.38634	5.5
54.15590	5.4
58.99604	13.5
59.01392	33.9
61.98835	22.9
69.34953	13.8
69.35365	16.4
71.01389	10.1
71.05032	5.6
78.95893	7.5
79.78374	5.6
82.02988	17.6
83.01404	9.2
96.04570	9.2
98.02485	35.5
108.04558	21.3
110.00099	6.5
119.05032	8.4
120.01254	8.8
122.02476	6.0
122.49014	6.0
123.04536	5.7
124.04073	17.4
126.05573	7.4
127.89683	5.4
133.02962	10.4
134.03722	8.1
135.04546	32.2
139.07654	12.9
142.03348	11.5
151.04089	8.6
152.03526	24.0
152.95975	5.3
159.04350	5.4
159.52119	4.8
165.05556	15.7
168.03053	17.7
170.04631	9.3
186.02356	18.5
187.07645	67.9
196.02559	100.0
201.05635	13.6
202.01807	6.3
202.06332	32.8
203.10826	29.2
207.06702	11.1
209.08186	7.9
214.03522	6.8
214.98343	6.3
215.06990	6.7
231.10278	77.8
235.06035	15.5
251.14674	34.1
305.14063	5.9
355.14807	7.3
390.27390	6.9
396.18439	6.7
397.16895	5.5
448.18057	16.7
449.16373	7.9
466.15582	9.7
467.17371	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31346	5.2
53.38634	5.5
54.15590	5.4
58.99604	13.5
59.01392	33.9
61.98835	22.9
69.34953	13.8
69.35365	16.4
71.01389	10.1
71.05032	5.6
78.95893	7.5
79.78374	5.6
82.02988	17.6
83.01404	9.2
96.04570	9.2
98.02485	35.5
108.04558	21.3
110.00099	6.5
119.05032	8.4
120.01254	8.8
122.02476	6.0
122.49014	6.0
123.04536	5.7
124.04073	17.4
126.05573	7.4
127.89683	5.4
133.02962	10.4
134.03722	8.1
135.04546	32.2
139.07654	12.9
142.03348	11.5
151.04089	8.6
152.03526	24.0
152.95975	5.3
159.04350	5.4
159.52119	4.8
165.05556	15.7
168.03053	17.7
170.04631	9.3
186.02356	18.5
187.07645	67.9
196.02559	100.0
201.05635	13.6
202.01807	6.3
202.06332	32.8
203.10826	29.2
207.06702	11.1
209.08186	7.9
214.03522	6.8
214.98343	6.3
215.06990	6.7
231.10278	77.8
235.06035	15.5
251.14674	34.1
305.14063	5.9
355.14807	7.3
390.27390	6.9
396.18439	6.7
397.16895	5.5
448.18057	16.7
449.16373	7.9
466.15582	9.7
467.17371	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
57.06393	0.3
59.01387	1.0
61.98860	0.5
69.03464	0.4
70.60128	0.6
71.01373	0.7
71.05021	0.4
78.03485	2.2
79.74734	0.4
82.03009	0.4
83.01382	0.5
83.05058	0.4
85.02953	2.3
98.02494	0.8
101.02478	0.5
107.32994	0.4
108.04526	0.4
109.06586	1.0
117.03484	1.0
122.02497	100.0
123.02856	2.2
132.02191	1.1
133.02673	0.3
134.03746	1.3
135.04558	0.7
136.04053	5.4
136.05019	0.4
142.03346	0.7
143.29189	0.3
145.77138	0.3
150.05634	2.0
152.03624	0.7
152.04828	2.2
153.05597	2.9
160.01666	4.4
161.01965	2.3
168.03030	0.4
175.04016	5.5
176.04320	2.2
178.05106	1.6
187.07726	0.9
192.99965	0.3
193.05167	0.5
194.05457	0.5
196.02556	1.8
203.10855	0.6
206.04585	0.7
207.28125	0.4
213.12859	0.4
215.14525	0.5
226.60690	0.3
231.10381	1.1
251.14766	0.8
257.12112	0.3
259.13406	1.0
271.17175	0.4
287.12872	3.6
299.16510	0.4
305.14056	1.2
306.91907	0.4
327.83249	0.4
343.15463	2.0
346.14276	0.4
369.09778	0.6
449.16028	1.2
466.19189	8.4
467.16919	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	466.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44730	0.3
57.03453	0.4
59.01386	0.5
60.97524	0.2
61.01171	0.9
69.03480	0.4
69.20396	1.5
71.99117	0.4
72.97539	4.1
73.07697	0.2
73.98322	16.3
74.00702	4.9
77.03734	0.2
83.05037	0.7
84.02174	3.8
85.02963	2.6
86.02487	9.1
87.00850	0.4
87.02755	2.0
88.91154	0.3
89.00677	100.0
90.01037	0.7
100.82344	0.3
109.02961	0.4
109.06641	0.3
110.03761	0.4
111.04499	0.5
114.03840	5.4
115.02248	55.3
116.02571	1.1
116.98885	0.3
119.05035	0.5
120.01260	5.3
134.03773	0.4
135.04530	0.5
140.05432	2.9
149.04341	3.1
150.02261	0.4
158.02832	3.6
176.03876	18.4
177.03821	5.5
183.32277	0.2
199.11296	2.4
201.07481	0.4
202.05461	2.4
203.08955	0.6
205.06909	0.3
211.03946	0.3
217.07011	0.5
224.13423	0.3
229.06953	0.8
231.08549	0.6
231.12091	0.5
232.09412	0.4
233.10075	3.5
234.10533	0.3
245.10057	1.1
257.10046	1.1
259.11606	1.0
267.03015	0.4
268.03732	1.1
269.04523	1.9
284.06021	0.7
287.05362	0.3
289.14496	4.1
290.14697	0.3
309.14966	0.9
315.05212	0.4
315.14178	1.9
325.12778	0.4
327.16022	0.4
329.17746	0.4
333.15439	0.4
343.13745	38.4
344.14081	3.4
361.14825	24.3
362.15182	2.4
368.16681	0.4
379.15784	2.7
386.17999	5.5
387.18283	0.5
404.19083	1.3
430.16965	6.6
431.17206	0.9
448.18027	7.4
449.18332	0.8
466.08237	0.5
466.19070	4.1
467.05786	1.9
467.18335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
55.74132	1.9
57.03453	4.0
59.01385	31.3
62.41991	1.7
69.32932	4.6
69.33347	8.1
71.01394	31.7
73.02962	8.8
82.39856	1.9
83.01409	4.7
85.02964	10.8
87.00890	4.5
89.02452	15.6
89.30566	2.0
96.96024	2.5
99.00851	3.3
101.02453	24.9
111.00909	2.3
113.02451	10.8
118.94156	1.9
125.02494	3.0
131.03537	6.9
149.04526	4.8
159.03041	2.6
161.04617	5.2
291.18152	31.3
329.20236	2.2
423.22388	100.0
424.22617	6.6
463.92938	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	466.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36068	0.8
59.01360	1.0
59.94368	0.7
61.98835	100.0
62.96127	0.8
66.47690	0.7
67.09538	0.8
69.34129	1.6
69.34538	2.3
84.37701	0.7
88.35778	0.8
95.49470	0.7
98.22630	1.5
121.63464	0.7
137.36270	0.8
142.52559	0.7
148.37091	0.7
354.95450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.9361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12391	0.2
59.01379	0.5
61.71601	0.2
65.00323	0.8
69.03418	0.2
71.01379	0.6
73.02936	0.3
76.21721	0.2
79.95743	10.9
80.96555	0.5
81.95313	0.4
83.01366	0.3
85.02941	0.3
93.03454	0.3
95.01392	0.2
96.96020	1.9
101.02374	0.2
109.02993	0.2
110.00097	1.5
111.00902	0.5
113.02432	0.5
117.03463	0.5
119.05049	0.9
120.99340	0.2
123.00861	0.6
124.01671	0.6
125.02452	1.0
134.06146	1.1
135.04634	0.2
136.98817	1.3
137.99606	1.0
139.00391	1.5
140.01178	1.2
147.00873	0.6
149.02473	0.5
151.00415	0.3
153.01917	0.7
154.02602	0.2
155.03468	0.8
161.02490	1.2
162.81157	0.2
163.00374	1.2
163.03976	0.4
163.99944	0.3
164.04848	0.6
164.98285	1.3
165.99068	1.6
166.99908	1.3
171.04469	0.5
179.07042	0.4
181.99516	2.1
183.04445	0.6
185.02417	0.4
190.02719	0.5
190.99910	1.9
191.03461	0.4
193.01398	0.5
199.04025	0.5
200.98067	1.3
200.99712	0.2
205.01424	0.2
205.05000	0.3
206.04541	1.5
207.01669	0.3
207.04613	0.3
211.03922	0.3
212.04820	0.3
214.02660	0.3
219.02954	0.6
221.97340	5.7
222.03253	0.6
225.01920	0.4
228.05084	0.2
228.98177	0.7
230.48146	0.3
234.04044	1.3
235.05077	1.4
239.03377	0.5
240.04248	0.3
255.03009	0.8
261.01563	0.4
267.02966	0.3
269.04538	0.2
271.29434	0.2
277.01163	0.8
283.02487	5.3
283.05396	0.4
284.03265	6.4
285.03754	0.5
289.06033	0.2
295.09659	0.6
298.04794	0.3
299.02112	0.4
299.05273	0.5
301.03354	0.4
305.00754	1.4
306.01477	0.5
307.02258	100.0
308.02615	6.9
308.06256	0.4
309.07440	0.3
310.10773	0.7
311.07791	0.5
312.12506	0.3
323.01816	0.3
323.09274	0.6
338.10370	7.2
339.11108	3.0
340.11896	2.0
369.02884	0.6
379.01144	0.3
386.97943	65.0
387.98276	5.5
407.16104	0.5
466.08109	1.1
466.93646	8.0
467.08371	1.0
467.13678	0.3
467.19653	1.7
467.93643	0.3
468.19302	0.3
476.46469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1138
Annotation	Gnetuhainin B
Peak:m/z	Relative Intensity
65.00301	2.6
70.28664	3.0
71.01402	1.8
92.30865	1.6
92.57421	1.6
101.48840	1.6
119.01391	4.3
120.99326	2.4
134.00079	1.7
135.00874	4.5
137.02441	2.4
143.01421	3.1
144.78087	1.8
156.29732	1.8
159.00862	14.9
160.98801	2.8
163.00368	25.5
171.04524	3.0
176.01132	4.9
181.06575	2.2
187.00388	26.3
188.98318	6.7
189.99138	4.0
190.99867	13.1
193.06508	1.9
209.05998	2.4
214.99777	4.7
216.97823	1.7
219.08279	2.9
221.06195	2.4
223.07779	1.9
225.05528	3.2
239.03365	2.2
239.07179	2.8
239.20026	2.6
247.07726	7.6
249.05614	5.1
251.07097	3.1
263.07190	13.2
265.05023	6.2
267.06644	44.1
268.03839	7.4
268.06635	1.8
269.04410	9.0
270.04849	2.2
275.07147	3.9
277.04990	2.0
279.03204	3.2
280.06680	1.8
291.06656	32.7
292.07025	1.9
293.04535	4.7
295.06137	100.0
296.06506	4.7
302.74988	1.7
307.02359	9.2
319.06140	60.6
320.06418	4.1
321.04099	6.1
339.05142	8.7
341.08112	1.9
363.00580	3.2
363.05112	53.8
364.05447	3.0
369.11343	1.9
374.65823	1.9
383.09485	8.8
386.97937	6.0
397.10837	1.9
423.12155	9.0
425.10382	6.2
467.06119	5.9
467.11438	84.7
467.31747	7.1
467.95297	2.2
468.11832	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	467.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
58.14771	0.6
59.01381	11.4
61.98835	3.9
67.91219	0.6
69.48643	2.3
71.01391	6.1
72.99309	0.8
73.02950	3.0
79.95737	4.7
83.01424	0.6
85.02985	0.9
89.02441	8.6
95.01381	1.2
96.96018	1.6
99.00891	8.5
101.02475	3.3
110.00116	1.4
113.02454	6.2
117.03558	0.6
119.03519	2.0
119.05054	2.3
121.03001	0.6
131.03482	1.3
133.03015	0.6
135.04532	0.7
136.98827	1.1
137.06067	0.8
139.00398	0.8
149.04559	4.7
161.02490	0.8
161.04546	1.7
163.00427	0.7
164.98303	1.1
166.99763	0.7
181.99507	1.1
183.04504	0.6
190.99878	2.1
191.05592	3.5
200.98048	1.3
221.97327	3.6
225.01990	0.9
233.06708	0.8
255.03029	0.8
269.13950	0.6
283.02429	4.4
284.03296	4.4
299.11304	2.2
305.00580	1.2
307.02264	100.0
308.02560	8.0
386.97955	65.1
387.98285	7.0
431.15594	38.0
432.15881	4.0
466.93756	6.4
467.13089	1.1
474.90729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1717
Annotation	Varixanthone
Peak:m/z	Relative Intensity
57.03450	2.5
58.11742	1.3
59.01379	6.1
61.98833	2.1
67.01889	2.4
68.99810	1.2
69.62402	3.9
69.94862	1.2
70.87260	1.5
70.99640	1.5
83.05048	1.5
85.02958	4.8
90.23853	1.5
93.03455	9.3
98.21966	1.8
108.02138	3.1
109.03001	2.4
109.06603	3.5
111.04565	1.5
116.92883	3.1
117.03473	28.1
118.03773	1.8
119.05038	3.3
121.02973	3.2
121.06583	1.5
122.02493	100.0
123.02856	10.8
124.05329	1.7
134.03807	2.4
135.04550	2.6
136.01701	3.7
136.04050	6.2
146.03848	1.5
150.05646	2.5
159.04535	4.1
160.84229	1.5
161.02411	3.6
161.09868	2.1
164.29126	1.4
171.04445	1.7
172.05360	2.0
175.11336	2.8
183.04498	3.8
184.05273	1.3
185.02483	1.6
187.04025	3.4
187.07648	1.8
199.03990	2.0
200.04735	2.6
201.05603	2.7
205.15971	2.0
215.14442	4.9
217.12375	2.1
217.15857	2.8
227.03552	5.5
228.04256	5.8
231.13918	3.5
243.13956	2.5
255.02872	8.6
255.17560	1.9
257.04590	1.9
259.13419	6.8
273.18649	3.2
275.07144	2.6
277.14474	11.6
283.02496	6.5
284.03354	8.5
287.12772	4.8
288.13049	2.1
289.14471	10.2
305.13940	44.1
306.14331	4.0
319.81143	1.9
329.13916	3.6
345.17126	4.7
347.14984	3.4
386.98346	2.1
403.14767	1.7
405.17230	9.7
421.16626	13.6
423.18427	2.4
431.14969	2.2
449.16098	57.4
450.16513	7.3
467.17117	31.7
468.20755	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	467.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98830	6.6
69.23405	28.9
71.01397	32.0
72.79177	4.2
73.02964	20.8
75.00864	4.6
79.95744	35.0
81.83312	4.4
83.01394	9.1
84.83472	4.2
85.02966	13.6
89.02477	10.4
95.00666	4.4
95.01333	5.4
96.96040	10.0
99.00880	11.3
101.02448	34.2
113.02460	20.7
117.03500	9.8
123.04514	8.4
125.05054	4.3
130.37173	4.6
135.04485	6.8
161.04607	9.6
171.10304	6.3
249.13477	26.9
284.03238	7.7
287.12015	4.7
306.93295	4.3
355.12103	8.2
381.17825	21.6
382.57318	4.8
386.97836	11.0
423.18784	38.9
466.93469	5.8
467.06912	10.7
467.17419	21.9
467.23526	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	467.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
57.03447	5.2
59.01381	87.4
61.98829	5.2
71.01380	25.3
73.02954	13.7
78.95902	7.2
79.95748	100.0
83.01366	8.0
84.04590	3.6
85.02953	16.0
87.04549	3.8
89.02460	6.6
93.03457	11.8
95.01353	4.5
96.96001	9.5
96.97004	6.2
97.02998	4.0
99.00884	8.6
99.04523	4.8
101.02444	31.7
103.42542	3.6
107.05069	5.4
109.02957	7.7
113.02437	16.8
114.93440	6.1
117.03468	52.2
119.05025	16.6
120.22889	3.7
121.02946	4.6
121.06570	3.3
133.02974	5.0
134.03810	4.2
135.04527	14.4
137.02428	7.6
143.36662	3.3
149.06073	5.0
153.05666	3.3
161.02477	16.9
161.04503	8.0
163.00389	5.6
163.04002	4.0
165.09355	3.8
167.03513	4.5
171.10347	7.3
173.06120	6.6
175.80490	4.0
187.07626	4.5
188.24998	3.5
213.09142	3.7
219.89836	3.4
223.26099	3.5
229.08717	12.4
231.10318	5.4
235.66510	3.6
249.13507	15.7
257.04660	5.4
262.10886	11.4
265.08618	3.9
278.10818	3.7
284.03207	14.0
293.08130	4.9
311.09308	5.8
336.08722	11.5
342.96539	3.8
380.15353	5.9
381.17691	30.4
386.97968	57.9
406.12750	8.1
423.13712	5.3
423.19339	24.9
424.14029	42.6
449.05634	5.1
466.93530	11.5
467.06076	9.8
467.16962	35.7
468.12427	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41787	20.5
60.66279	17.3
61.98857	24.9
71.42957	16.6
96.96046	29.3
111.36511	20.9
116.92872	22.0
121.02987	21.7
122.02480	55.4
134.03734	84.7
135.04526	77.2
151.04056	17.4
153.10353	18.6
175.04013	18.9
187.07657	24.1
191.07199	24.5
202.06390	22.1
217.05006	43.7
231.10289	70.8
239.40486	19.1
324.32870	19.1
342.11130	18.6
366.51257	19.2
385.14886	25.0
467.17007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72263	0.2
56.20649	0.2
57.03441	0.5
59.01368	0.3
61.98828	0.2
70.66645	0.3
75.59206	0.2
77.03971	0.2
79.95792	0.2
80.91254	0.2
83.05040	0.3
85.02953	2.8
91.22279	0.2
107.05009	0.4
109.06608	0.6
121.02963	100.0
122.03302	3.1
126.03232	0.4
135.04536	10.7
135.08134	0.4
136.04869	0.5
138.28163	0.2
147.04466	0.3
149.06075	2.3
165.09262	0.2
175.91542	0.2
177.05540	0.6
217.16040	1.1
229.15945	0.3
243.13860	0.3
245.15440	0.5
245.19301	0.2
255.17577	0.8
257.15393	0.2
259.17059	0.6
261.14944	0.9
273.18683	1.3
283.17181	0.4
289.11255	0.4
289.14496	8.4
290.14789	0.5
301.18152	0.3
307.69638	0.2
317.17526	0.4
321.98288	0.2
345.17105	1.4
439.21106	0.5
467.20770	11.5
467.31363	0.4
468.21277	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04606	1.1
55.01883	7.5
57.03457	6.5
58.22521	1.2
59.01388	100.0
69.03445	1.3
69.37241	5.8
71.01392	75.2
73.02567	2.1
73.02956	29.3
75.00883	1.4
75.45382	1.2
79.83649	1.3
79.95735	1.4
83.01392	14.7
85.02962	37.8
87.00900	3.6
89.02456	15.9
95.01376	7.5
96.96016	2.4
97.02979	3.8
99.00894	9.1
99.04533	1.6
101.02455	60.7
102.02829	1.6
113.02467	35.0
117.03541	1.9
119.03547	4.3
119.04944	1.2
125.02475	6.2
129.01961	1.7
131.03456	1.9
133.02905	1.4
135.04543	2.8
143.03534	4.5
148.25629	1.3
149.06003	2.3
159.03024	5.7
161.04584	26.9
162.63086	1.1
165.80873	1.4
166.75333	1.2
171.36327	1.2
172.05318	3.4
179.10844	1.2
185.06026	1.6
187.07683	4.0
201.09343	4.0
205.08775	2.8
217.04997	1.7
221.12111	2.1
229.08766	10.9
231.10326	1.9
233.08205	1.6
251.09285	7.6
263.15042	17.6
305.16046	3.8
423.14566	3.9
425.20331	56.1
426.20697	3.3
467.15924	15.8
467.21625	12.3
468.22324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2296
Annotation	Maoyerabdosin
Peak:m/z	Relative Intensity
57.12408	1.2
59.01384	100.0
61.98844	2.9
67.71014	1.6
69.29683	7.1
71.01397	1.8
73.02950	6.5
74.44863	1.4
76.16585	1.4
79.95744	2.6
83.63963	1.4
119.04979	1.9
119.81828	1.6
121.02927	1.5
122.02528	1.5
127.77995	1.2
135.04572	6.7
153.69814	1.3
155.47902	1.5
187.07631	1.7
202.06395	2.0
231.10316	4.8
263.16794	1.7
321.20801	6.3
407.20697	11.1
440.18475	1.5
467.17276	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	468.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33532	2.1
65.99844	4.9
71.41450	2.6
77.03556	2.4
114.81444	1.9
120.00934	5.2
130.61916	1.8
132.00916	2.6
132.76193	1.9
133.01709	2.1
136.00412	2.5
144.00880	3.9
145.01700	3.7
145.85208	2.0
148.00438	3.8
150.02031	2.7
156.00793	2.9
160.00365	2.1
161.01144	2.6
163.00371	5.7
168.42136	1.9
171.04520	7.7
172.00409	10.5
173.01144	4.3
175.99960	4.8
176.03578	3.2
187.99921	7.5
188.03540	5.2
189.00671	3.6
189.98868	2.1
199.99857	10.9
204.03035	2.6
215.99371	13.3
217.00140	5.3
221.06204	2.2
227.99420	1.9
232.02548	11.0
232.07686	4.3
243.98918	19.5
244.99580	7.2
248.07181	3.2
258.04144	3.0
260.02039	4.0
260.07169	3.6
264.06769	5.6
266.05063	2.0
267.06540	5.1
268.06674	7.2
270.07654	4.2
276.06686	6.5
277.07489	3.4
278.04694	3.9
278.08035	2.1
280.06158	7.6
288.01462	14.4
291.06396	2.4
292.06454	9.8
292.09586	2.4
293.06921	2.6
294.07724	7.2
295.06076	14.8
296.06268	21.9
296.09387	8.5
304.06171	18.0
305.07108	2.1
319.06216	4.5
320.05704	69.0
321.06241	7.0
322.07269	4.2
336.04977	3.1
336.08820	46.3
337.09146	4.8
348.05151	70.7
349.05679	12.9
363.05173	2.7
364.05316	5.8
368.32257	2.1
376.04709	5.2
377.05295	12.2
380.07632	10.7
384.09888	2.3
392.07718	14.9
398.13840	6.4
404.03964	8.2
408.07266	100.0
409.07852	9.6
410.34470	2.1
436.06857	19.8
468.11566	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29256	0.7
55.65936	0.7
57.19773	0.8
59.01388	1.4
61.98835	100.0
65.83450	0.7
69.69804	0.7
75.86329	0.7
76.34496	0.7
78.95923	1.2
79.91690	0.7
105.56389	0.8
108.14455	0.9
109.52132	0.7
115.37272	0.7
121.87922	0.8
184.01039	0.8
331.01245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.203
Annotation	CHEBI:66448
Peak:m/z	Relative Intensity
57.03449	0.4
59.01380	0.2
62.23779	0.1
64.71337	0.1
67.73672	0.1
69.10428	0.7
78.03490	4.6
79.03796	0.1
80.02669	0.2
83.05027	0.4
85.02962	2.0
94.02980	0.1
97.02983	0.2
97.06620	0.2
104.05077	0.3
107.05035	0.5
107.08719	0.1
108.04599	0.6
109.06590	1.2
121.06626	0.2
122.02492	100.0
123.02838	2.6
126.03252	0.2
129.18318	0.1
131.08679	0.1
131.61296	0.1
135.08147	0.3
136.04054	10.9
137.04399	0.3
147.08148	0.1
148.04036	0.2
150.05615	4.5
151.05946	0.2
154.46840	0.1
165.09103	0.1
178.05141	0.4
178.69583	0.1
183.11804	0.1
187.11281	0.1
199.14928	0.3
201.12784	0.1
206.48781	0.1
217.15974	1.7
227.14494	0.1
229.16078	0.3
241.15817	0.1
243.13951	0.6
245.15475	0.6
255.17555	0.5
257.19205	0.3
259.16980	0.5
261.14975	1.0
273.18604	1.0
283.17084	0.3
289.14484	12.6
290.14859	1.0
301.18112	0.5
317.17496	0.2
320.79739	0.1
345.17075	1.4
346.17462	0.2
350.17371	0.2
376.90317	0.1
440.20935	0.4
468.20297	10.9
469.20636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	1.8
69.70215	1.9
71.01406	0.6
71.99207	0.5
73.36692	0.5
77.43697	0.5
78.03483	3.5
81.03443	1.0
81.07085	0.6
83.05028	1.2
85.02951	0.6
91.80052	0.5
97.02954	33.2
109.02961	4.7
121.06594	0.8
122.02489	100.0
123.02837	2.8
133.10225	0.6
136.04074	1.2
189.12846	9.1
191.14450	1.8
217.12263	3.3
227.18037	0.6
235.13428	3.5
257.19119	0.9
273.18494	2.9
283.17111	2.4
289.14551	1.4
301.18121	0.8
327.16089	8.6
328.16214	0.9
335.29776	0.6
340.15482	0.8
345.17078	15.0
346.17352	1.1
406.41895	0.6
450.19229	6.0
451.68448	0.6
468.20282	96.2
469.20572	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	469.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23805	0.2
56.66835	0.2
59.01385	2.4
59.18957	0.2
60.24640	0.3
61.98825	0.2
68.57216	0.3
71.01381	0.7
72.99323	0.2
73.02956	0.5
75.00860	0.4
75.34348	0.2
83.01411	0.2
83.05035	0.4
84.93887	0.9
96.96014	0.3
99.00895	0.7
99.92593	9.9
100.92676	0.5
100.93373	11.2
101.02475	0.3
101.93346	0.3
103.00398	0.5
113.02450	0.4
114.93443	0.3
114.94947	0.3
115.92097	15.7
116.81296	0.2
116.92875	100.0
117.03447	0.3
117.92876	4.2
117.93642	0.4
119.05016	0.7
131.39832	0.2
134.03743	0.7
135.04538	0.4
135.41899	0.2
140.92882	0.9
142.94435	1.2
151.00421	0.3
156.92360	0.7
158.93907	0.7
169.64699	0.3
169.93105	0.3
170.93947	0.4
184.91832	1.5
184.95439	0.4
186.93431	0.3
190.02765	0.5
196.95619	0.4
215.00258	0.5
231.10292	0.9
243.17105	0.3
295.99539	0.3
347.02356	1.0
365.03357	3.0
366.03857	0.4
372.04767	0.4
383.04346	3.3
383.08798	0.3
395.04486	0.3
407.04474	1.6
425.05542	3.4
433.02490	0.9
468.17572	0.4
468.30875	0.6
469.04285	6.2
469.18112	1.1
470.04953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06528	3.4
58.14847	4.7
59.01400	7.9
68.13517	3.5
68.16002	3.8
69.24147	17.1
69.24559	8.4
71.01387	15.8
73.02947	7.9
73.71505	3.7
82.90112	3.9
85.02947	9.1
99.00886	4.8
101.02467	4.4
103.82903	3.5
113.02450	8.8
123.00891	9.8
124.01675	20.1
135.85808	3.9
138.03270	6.6
139.04007	22.3
149.60751	3.7
161.04567	10.7
250.54448	3.6
301.09448	9.2
344.82016	4.1
433.13519	100.0
469.09720	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	469.1871
Annotation	Zapoterin
Peak:m/z	Relative Intensity
50.59836	2.0
51.85824	2.2
59.01389	6.0
61.98838	59.6
79.13481	2.0
93.03461	3.2
108.02218	5.0
114.79097	2.0
117.03529	4.8
119.05041	100.0
120.05347	2.4
121.03017	2.8
135.04529	5.3
139.43651	2.1
141.24934	2.2
144.26962	2.3
145.02940	9.0
149.39249	2.0
150.03279	3.9
161.06085	4.9
177.89198	2.1
187.57387	2.1
207.40414	2.3
233.15518	9.4
253.14488	3.1
257.04861	3.1
259.13416	16.1
277.14456	36.5
279.12476	20.1
305.13959	7.6
313.03693	3.8
328.05975	3.8
331.11853	13.4
343.08267	8.7
397.20236	16.1
432.97818	10.8
469.18179	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.0
59.01384	27.6
61.98802	0.8
67.01878	0.6
68.02547	0.9
69.03460	3.0
70.18385	0.9
70.18699	0.9
71.01382	1.1
73.02968	0.6
75.35843	0.5
75.39417	0.6
80.89655	0.6
80.90167	0.5
83.01378	1.3
85.02934	0.9
87.00864	0.5
87.04531	1.3
93.03455	0.8
95.01359	0.8
97.06594	2.3
99.04527	1.9
101.24857	0.6
107.05035	1.1
108.02171	0.7
109.02953	2.3
111.00925	0.6
111.05656	0.6
113.06126	0.8
115.04028	1.1
116.27428	0.6
117.03503	1.9
119.05021	2.7
121.02940	3.1
121.06588	0.9
122.02503	0.7
122.03703	0.8
123.04522	1.8
123.08090	0.5
125.06094	0.9
127.07597	0.6
130.04265	1.2
133.02989	1.8
134.03761	35.0
135.04552	15.3
137.02449	1.6
137.06050	1.0
145.02963	1.0
146.03752	1.7
148.05389	0.9
149.06094	1.9
151.04012	2.0
151.07709	3.5
153.05582	1.8
158.03804	3.0
159.04533	6.0
159.08089	0.6
160.01723	0.6
161.02470	2.2
161.06009	0.7
162.03206	0.7
163.03995	0.8
163.07689	1.8
165.05556	1.8
167.03493	0.8
167.07076	0.7
172.05315	9.2
173.06107	8.2
174.03195	1.7
174.06728	1.2
175.03996	2.3
175.07545	0.6
177.05551	0.8
181.08757	0.7
183.04489	0.8
185.06013	0.9
187.04170	4.4
187.07668	88.1
188.08051	5.0
191.07188	2.3
193.05077	0.6
193.08714	1.6
195.06702	0.6
199.03865	0.5
200.04758	1.1
201.05600	21.5
201.09302	1.1
202.06369	52.0
203.06772	3.7
203.10788	1.9
204.04279	0.8
207.06720	0.6
209.08182	1.1
211.07825	0.6
211.09744	8.7
213.09189	2.1
215.07175	4.4
215.99858	0.7
216.07928	2.0
217.08685	0.8
219.06500	0.9
229.05113	0.9
229.08746	2.4
231.10275	100.0
232.10611	6.7
235.09749	1.8
236.06917	1.0
237.07651	4.6
241.08601	0.8
251.09175	0.7
253.08517	1.0
253.10825	2.3
257.04239	0.9
257.05719	0.6
257.08124	4.6
265.08664	0.8
281.07993	1.1
299.09216	0.9
309.07907	0.8
310.08401	1.0
311.09222	0.7
315.08798	1.3
326.11621	0.6
344.12781	2.8
354.10925	2.2
369.09622	0.7
371.11429	2.0
372.12112	8.3
373.12491	1.1
407.14856	1.3
425.16107	1.1
433.16394	1.0
451.17496	3.4
466.67664	0.6
469.18665	19.9
470.19211	3.2
476.52820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89779	0.7
56.91035	0.8
57.03429	0.8
59.01382	2.5
61.27164	0.7
61.98835	0.7
64.01506	0.6
69.03472	1.2
73.02959	0.7
74.86554	0.7
92.12247	0.8
95.01375	0.8
97.06607	0.8
99.04517	1.1
99.77611	1.0
109.02994	0.7
116.44048	0.7
117.03462	1.3
119.05035	1.2
121.03023	1.0
122.03767	0.7
123.04514	1.6
130.04207	0.9
134.03760	15.6
134.04733	1.3
135.04550	7.3
146.03770	1.6
147.04520	1.1
149.06174	1.1
151.04041	1.5
151.07657	4.1
153.05658	0.9
158.03783	2.7
159.04538	5.9
161.02467	1.4
163.07663	0.7
172.05315	8.2
173.06087	7.5
174.03281	0.9
174.06831	1.5
175.03989	1.6
183.04587	0.7
185.06090	0.7
187.04192	3.8
187.07663	97.7
188.04877	1.0
188.08055	6.3
188.26517	0.7
191.07173	0.8
193.08727	1.3
201.05580	20.9
201.09169	0.7
202.06378	51.8
203.06847	3.1
211.09769	8.5
213.09239	1.4
215.07123	2.3
216.07863	1.6
221.04749	0.8
229.08723	1.6
231.10280	100.0
232.10626	5.8
235.09808	1.4
237.07686	3.0
253.10776	1.5
257.08194	4.9
354.11115	1.0
371.11188	1.0
372.12039	3.5
407.14795	0.8
451.17706	2.1
453.60724	0.8
469.18674	15.6
470.19156	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	469.1873
Annotation	Tomentodiplacol
Peak:m/z	Relative Intensity
54.10895	0.7
54.12372	0.6
54.16562	0.7
56.99133	0.6
57.03433	1.3
57.97567	1.3
59.01385	3.1
61.98846	1.0
67.01884	1.2
69.03466	1.4
71.01404	0.8
73.02969	1.4
81.03487	1.2
83.01408	1.3
83.05067	0.9
84.41644	0.7
85.02957	0.7
93.03467	11.1
95.01421	1.8
95.05096	0.9
97.06622	1.9
98.02505	0.9
99.04542	1.2
106.04263	0.8
107.01401	1.1
107.05058	0.8
108.02173	1.0
109.02969	2.3
109.06570	1.1
117.03481	35.3
118.03793	1.2
119.05051	4.4
121.02982	2.1
122.58141	0.7
123.04533	1.8
125.02464	1.1
125.06094	1.3
129.10338	1.1
133.02957	1.3
133.06693	1.0
134.03758	26.1
135.04564	13.3
137.02469	2.4
137.06107	1.0
139.11272	0.9
143.05052	1.7
145.02953	1.5
147.08167	1.0
148.05367	1.2
149.06108	1.0
151.04041	2.2
151.07697	0.9
153.05640	0.8
158.03783	1.0
159.04533	3.3
160.05450	1.0
160.06743	0.7
161.02480	6.6
162.02977	0.8
163.07643	1.1
169.06593	0.7
171.04547	2.8
172.05360	1.0
173.02487	0.9
173.06042	1.9
174.03276	0.9
174.06841	0.9
175.04016	1.9
175.07686	1.1
177.12889	0.9
185.06097	2.3
187.04115	1.7
187.07674	3.1
188.04710	0.8
189.05571	2.2
193.08751	1.1
200.04747	1.1
201.05547	4.3
201.12923	1.3
202.06377	2.6
203.03563	1.0
205.12357	2.6
211.13525	1.7
213.05595	1.9
213.09309	1.2
213.11273	0.9
215.07137	1.1
216.08067	1.0
217.08553	0.9
217.89748	0.9
221.11823	1.4
222.06880	1.3
225.12840	0.8
227.07135	3.9
229.05034	3.2
229.08781	2.0
231.10301	13.3
232.10719	1.0
233.58942	0.8
237.05573	1.8
238.06493	0.9
239.03636	1.1
239.07123	1.3
240.04416	0.9
241.05086	2.5
245.11923	1.0
251.12958	1.0
253.05139	1.6
255.06665	6.4
257.04608	7.0
258.05203	1.4
261.14935	1.6
263.12930	3.4
265.05099	2.0
266.05716	1.7
267.06537	1.3
269.04449	1.0
271.13416	2.1
279.16092	1.3
287.12885	1.9
289.14474	2.7
294.05307	1.0
299.09180	1.1
305.14038	1.1
307.15564	5.4
309.07657	0.9
313.14407	0.9
319.17267	1.4
331.11673	2.0
331.15356	1.1
344.12933	0.9
345.15121	1.1
354.11191	1.5
355.11655	0.9
363.16034	2.9
371.11002	1.2
372.12109	5.6
375.14691	0.9
377.14355	1.2
379.15506	2.8
381.17245	1.3
395.15030	2.7
405.16638	1.0
407.14932	12.4
407.19189	1.1
408.15598	1.2
423.18323	2.1
425.16132	1.4
433.16571	2.4
451.17679	13.3
452.17764	1.2
469.18716	100.0
470.19135	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	469.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70269	10.6
66.24722	12.6
69.85931	10.9
89.44042	12.1
102.05640	12.7
117.03479	78.6
119.05040	15.4
121.02954	45.3
122.02495	11.8
134.04030	11.2
135.04561	17.2
144.42604	11.3
150.33058	12.2
154.53728	13.2
160.84282	19.8
161.02519	24.5
164.83617	100.0
173.06032	12.2
174.00192	10.8
174.01694	11.7
182.30151	10.8
190.46016	11.8
225.13626	15.0
276.12653	10.7
344.80396	12.1
391.17648	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	469.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45434	26.0
85.44031	28.2
86.93497	32.4
89.26437	26.2
90.43963	29.4
106.77654	31.2
119.05028	100.0
122.02466	39.6
127.95827	28.3
160.84174	65.3
297.17706	28.5
323.36960	32.6
434.06854	38.6
439.00482	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66508	1.5
51.07402	1.3
52.88677	1.5
53.18053	1.3
53.78327	1.4
59.01389	66.2
59.28589	1.7
61.98835	7.6
65.24773	1.5
69.03467	2.1
71.01389	28.1
71.29603	1.9
73.02952	51.0
78.95893	1.8
83.01396	11.8
83.05037	2.1
85.02961	6.4
87.00890	3.5
89.02457	7.3
93.03463	2.0
95.01382	2.1
97.02974	1.6
97.06628	2.1
101.02457	30.5
109.02959	1.9
113.02466	9.3
117.03481	3.0
119.03549	1.7
119.05030	8.9
122.02487	18.7
122.58514	1.7
125.02422	2.0
131.03465	2.1
133.02940	4.8
134.03780	10.7
135.04565	12.2
141.01929	1.6
143.03503	2.1
145.43317	1.4
148.05460	2.1
150.68768	1.6
151.04086	1.7
151.07657	1.9
153.05603	1.8
160.84218	5.0
161.04604	2.7
163.04005	1.7
163.07701	1.6
173.06018	1.4
175.04001	2.5
187.03908	1.8
187.07651	7.9
195.06471	1.5
201.05542	2.5
202.06377	6.1
203.10812	6.0
213.05464	1.7
231.10255	19.5
233.12033	1.6
237.07703	1.8
247.17070	16.1
265.18134	21.8
309.08582	1.4
310.08469	1.9
313.03601	2.5
344.12418	1.9
354.11169	2.4
371.11316	2.1
372.12073	5.8
409.22421	6.3
427.23392	16.0
428.23584	1.5
451.17404	3.4
464.24310	1.5
469.18588	13.4
469.24500	100.0
470.25168	8.8
484.52725	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	469.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17447	0.2
59.01385	0.3
64.97026	0.8
69.30595	0.8
79.95742	18.1
80.96535	1.3
94.98106	1.2
95.95239	4.6
96.96019	100.0
97.95929	0.3
114.23893	0.2
122.97593	4.8
123.98429	0.3
138.97116	0.5
144.27704	0.3
157.71774	0.2
167.00230	0.9
211.02757	0.5
211.20648	0.4
217.59091	0.2
255.05421	0.3
469.28427	56.1
470.28754	5.9
470.35165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41373	1.3
79.95741	11.8
80.96467	1.5
88.39126	1.0
95.95238	2.3
96.96020	81.1
113.96729	1.0
114.09661	1.0
122.97575	4.3
146.86926	0.9
167.00224	1.2
194.08191	1.0
225.51540	1.3
245.96527	1.1
384.55875	1.0
469.28421	100.0
470.28726	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	469.3326
Annotation	Ganoderone C
Peak:m/z	Relative Intensity
70.00271	0.7
70.00622	0.8
93.21350	0.4
185.14865	0.4
241.45842	0.3
260.34229	0.3
311.16782	0.6
372.54858	0.4
393.31732	0.6
439.32196	73.9
440.32523	9.6
462.32837	0.4
469.33258	100.0
470.26898	0.7
470.33621	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	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78460	0.8
54.59475	0.8
57.33923	0.7
69.31757	1.0
69.32169	3.0
97.06609	1.4
98.22689	1.1
159.38211	0.6
185.06509	0.7
223.57468	0.7
227.73318	0.7
292.88071	0.8
387.25485	3.7
469.33270	100.0
470.33612	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	469.3327
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
58.18673	0.2
61.29613	0.2
69.59772	0.6
98.22642	0.4
171.04564	0.3
342.54193	0.3
344.89380	0.2
398.14188	0.5
438.76025	0.2
441.11481	0.3
469.33246	100.0
470.33597	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	470.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77222	5.0
65.00344	11.4
65.99868	7.2
71.33086	7.0
103.88101	4.5
105.72897	5.8
109.73492	5.2
136.00410	40.1
145.06599	10.4
147.04558	9.2
158.81345	5.0
163.99913	26.7
171.04506	7.8
173.06123	60.9
176.00037	5.5
185.06029	5.1
196.07883	5.3
201.05585	64.9
213.05693	6.2
240.06592	13.8
241.21696	7.9
242.08188	10.7
242.22069	7.7
255.06616	51.7
256.06998	5.9
260.22623	5.3
268.06128	100.0
270.07764	16.9
280.06094	11.5
322.07230	29.8
334.03625	5.5
392.36145	5.8
398.14139	7.1
412.11893	16.3
426.13348	10.3
438.10007	16.0
442.12714	15.3
470.12466	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
65.00325	1.4
65.99861	4.2
70.01231	0.6
82.39095	0.7
88.02676	0.8
101.03961	1.0
119.00117	1.8
120.00914	0.9
136.00410	0.8
156.34486	0.7
166.06609	1.1
167.05022	1.4
170.06158	1.7
171.04538	1.0
174.99161	0.7
184.03963	0.8
187.99911	0.8
190.06619	2.6
194.06113	5.2
202.05165	1.1
202.99913	0.8
206.06129	1.2
210.05603	1.8
218.06105	4.8
220.04147	0.8
222.05643	1.3
226.08696	0.7
228.77051	0.8
234.05553	5.5
238.05144	4.0
253.05112	1.2
262.05121	4.5
270.07727	0.8
278.04596	1.9
280.06070	1.2
290.04654	2.6
306.04114	22.0
324.10303	0.8
334.03598	32.8
335.03827	3.1
336.97345	0.7
352.09909	0.8
360.97174	0.8
368.09280	1.3
396.08710	3.1
398.13922	3.1
410.10397	11.3
411.10419	1.7
438.09839	100.0
439.10172	10.8
469.33289	25.9
470.12244	2.5
470.33627	19.9
471.34241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98831	1.1
65.82650	0.3
67.98746	0.3
69.92864	0.8
70.23365	0.2
82.02987	0.4
89.02454	0.7
90.80577	0.3
128.03551	100.0
129.03911	1.8
341.10806	1.4
470.15271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	0.7
61.98838	100.0
69.32892	1.9
74.22114	0.5
75.39177	0.5
112.52659	0.5
117.03471	0.6
119.05052	1.5
120.05376	0.5
133.02998	1.0
150.08385	0.5
150.09654	0.5
150.85242	0.5
206.71614	0.5
211.24109	0.5
323.90393	0.6
383.06131	0.5
386.57425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2187
Annotation	Scutebarbatine K
Peak:m/z	Relative Intensity
59.01380	3.4
60.68913	1.7
70.51429	3.3
72.58763	1.6
74.39009	1.5
78.03515	1.8
96.96009	2.6
99.04534	3.9
102.14194	1.5
113.02576	1.8
116.92875	4.1
119.05056	4.3
122.02501	100.0
123.02792	3.0
135.04558	2.4
160.96370	1.8
163.75528	1.7
184.22310	1.5
188.54752	1.5
191.97604	1.6
199.80231	1.7
205.25185	1.6
285.18771	3.7
303.19699	17.4
304.20154	1.9
347.18607	4.2
384.90298	1.8
426.22855	12.0
470.21918	60.2
471.16562	3.0
471.22064	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	470.2189
Annotation	Scutebarbatine K
Peak:m/z	Relative Intensity
59.01362	3.4
61.37320	1.2
61.98827	1.7
70.31097	1.4
70.41524	1.2
70.41852	2.1
73.02963	3.3
78.03503	1.7
78.91884	1.2
78.95910	3.6
85.81340	1.4
101.02439	1.4
110.98537	1.6
119.05042	2.8
122.02499	100.0
123.02824	2.2
167.04732	1.3
193.52950	1.5
283.02475	3.6
298.04807	1.8
303.19608	2.0
313.07144	1.9
374.07999	1.5
374.20795	1.6
380.99237	1.7
411.04050	6.7
412.77051	1.6
426.23083	8.1
428.00525	2.4
452.21271	2.2
470.21884	47.9
471.22018	5.8
471.34906	2.2
471.84772	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	470.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96690	0.5
61.98836	100.0
69.66115	1.6
69.66460	0.9
78.95915	0.6
84.49795	0.5
114.68586	0.5
125.40928	0.6
130.60316	0.6
285.34039	0.5
301.54962	0.5
322.63718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10218	0.9
55.87091	0.8
57.31328	0.7
59.01385	11.8
65.00292	1.1
66.23055	0.8
66.72382	0.7
69.38834	0.7
69.59195	3.5
69.59541	0.7
70.46701	0.7
73.02937	1.4
76.03176	0.9
78.01138	0.9
79.50867	0.8
89.03978	1.8
93.03436	1.8
95.01402	2.7
96.02190	0.8
98.22577	1.6
101.02431	1.2
104.02655	2.1
107.45760	0.9
108.02160	4.3
109.02973	5.3
110.27831	0.8
117.03454	3.7
119.01359	1.4
119.05025	1.9
120.02158	0.8
121.02973	1.1
124.01645	3.1
132.02124	1.7
133.02945	7.3
134.03735	2.3
135.00871	1.6
135.04568	6.1
137.02444	6.0
138.98846	0.7
145.02962	2.2
146.03696	1.4
147.04504	3.0
148.01680	18.2
150.03192	1.6
157.06604	1.0
158.03770	0.8
159.00928	1.5
159.04523	1.4
160.01630	0.9
161.02466	14.6
162.02950	1.7
163.00340	3.2
164.01155	3.1
167.03510	1.1
167.08551	1.1
169.06543	2.4
171.04506	1.1
173.02405	2.9
174.03198	3.6
175.03972	1.1
176.01146	29.2
177.01920	10.4
177.05501	0.9
180.09694	0.9
187.00359	1.3
187.03963	1.3
188.01149	2.0
189.01915	1.8
190.02721	2.9
191.08722	0.9
192.00642	10.7
193.06572	1.5
195.08072	2.8
197.09708	1.2
199.07552	0.9
201.01952	1.3
201.05568	2.0
202.99873	3.5
204.00645	8.0
205.01385	2.4
205.06548	0.8
206.07401	1.8
209.09660	1.4
211.07535	1.4
213.05542	2.7
214.02730	1.3
217.01428	20.4
218.02176	8.3
219.08055	1.9
221.06078	1.6
221.09644	2.3
222.06775	1.2
223.07651	8.3
225.05495	1.5
235.07709	1.4
237.05630	1.0
237.09232	3.1
239.07120	5.7
241.08713	4.8
247.07663	6.0
249.05626	1.9
250.06291	1.7
251.07263	1.0
253.05054	1.7
255.06644	1.1
257.04471	2.2
263.07175	5.4
264.07739	1.0
265.05640	1.2
265.08707	19.7
266.08829	1.3
267.06674	4.5
269.04285	1.1
279.06653	2.3
280.03928	1.4
280.07382	3.6
281.04977	1.3
281.08145	8.8
290.05920	1.1
291.06619	16.5
292.06891	1.9
293.04507	1.9
294.05389	1.6
295.05972	1.6
305.04611	2.1
305.08246	2.0
307.06100	3.7
308.06912	18.6
309.07703	100.0
310.08026	7.0
323.05667	3.1
325.06903	1.0
335.05453	1.6
367.09680	1.3
385.10745	2.9
409.10852	9.4
410.11163	1.3
427.12164	3.8
447.54623	1.1
471.10803	27.2
472.11151	4.0
473.47055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87662	3.3
54.94991	3.3
55.50481	3.4
59.01387	100.0
61.98831	8.0
67.56589	3.6
68.01433	7.9
69.22787	21.1
71.01386	23.8
73.02963	6.8
82.14758	3.5
83.01391	4.2
85.03000	5.5
85.58106	3.3
87.58721	3.3
89.02460	12.1
93.03462	7.2
96.95988	8.8
97.02988	3.7
99.28902	3.5
101.02441	16.5
110.02496	4.4
113.02490	8.8
117.03500	4.4
119.03495	5.2
119.05017	13.4
122.02455	6.0
133.02980	4.0
134.03758	7.0
135.04584	18.5
136.04768	4.3
143.04973	3.3
147.04597	5.4
148.05444	3.5
161.04567	5.9
183.01131	6.3
203.05679	5.4
223.75830	3.6
227.07187	11.8
227.48196	3.9
230.06680	10.7
231.10298	4.8
238.62703	4.0
239.07181	13.3
250.08655	7.8
281.08173	5.6
291.19629	7.1
292.15482	4.9
357.60403	3.9
420.28064	3.7
471.20352	34.8
471.26013	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
59.01385	100.0
59.98526	0.9
60.01709	1.0
69.03458	1.8
69.54953	2.6
71.01389	23.2
72.99354	0.7
73.02953	83.5
74.03297	0.9
81.03452	0.9
81.07111	3.0
83.01392	18.2
85.02975	3.9
89.02449	6.5
95.01402	1.1
98.03761	1.1
98.22650	0.8
99.04525	8.3
99.22426	0.7
101.02451	48.0
110.36082	0.8
111.04565	1.7
113.02473	9.2
119.03526	3.1
119.05051	1.3
125.02513	2.2
131.03554	2.6
142.67470	0.8
143.03557	2.3
149.04613	2.9
150.06898	1.6
155.03561	1.4
161.04561	8.9
161.05666	0.8
161.13380	21.7
162.13786	0.9
187.11305	4.1
205.12347	57.7
206.12794	2.3
249.11334	64.3
250.11726	3.4
471.18164	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	471.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20944	0.2
57.03460	0.8
59.01386	100.0
60.01727	0.8
66.46519	0.2
66.91824	0.2
69.12544	1.2
71.01388	2.7
73.02964	1.0
82.95432	0.5
85.02968	0.5
89.02467	0.5
99.00886	0.3
101.02471	0.7
109.06593	0.3
113.02479	0.4
117.03495	0.7
119.05068	1.5
133.02983	0.8
135.04506	0.3
139.62735	0.2
192.11665	0.4
199.91013	0.2
203.05586	1.5
207.13919	5.9
208.14473	0.3
211.13490	0.3
249.15096	0.3
313.07098	0.3
325.16684	0.4
429.81866	0.3
471.03934	0.7
471.15085	1.4
471.22208	1.0
472.24118	0.5
482.06146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20880	0.4
52.77189	0.4
54.63326	0.4
59.01386	100.0
60.01731	0.7
62.14544	0.3
62.73809	0.4
63.19983	0.4
64.47182	0.4
71.01392	3.2
73.02959	3.8
79.23640	0.4
83.01405	1.1
89.02469	1.4
92.52186	0.3
93.03484	0.6
95.01414	0.4
101.02441	3.8
113.02460	2.2
117.03558	0.5
119.03537	0.9
119.05011	1.8
121.46358	0.4
131.03598	0.4
135.04552	0.6
137.09721	0.5
145.02971	0.5
149.04572	0.4
161.04659	1.3
163.04073	1.1
205.05171	0.5
218.93941	0.4
219.57095	0.4
274.17700	0.4
323.16208	0.6
378.62091	0.4
411.11923	0.5
471.18835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25473	1.7
57.03456	2.6
57.85532	1.3
59.01387	48.7
61.98837	4.4
64.09680	1.3
71.01392	25.6
72.99290	1.4
73.02954	5.3
75.03381	1.4
83.01390	1.9
83.05009	1.6
85.02950	7.1
87.00900	1.9
87.05244	1.5
87.85989	1.3
89.02456	16.6
95.01388	1.7
95.97263	1.3
101.02460	12.3
102.02775	1.8
107.08665	1.9
113.02470	8.6
119.03524	6.6
119.05017	3.4
120.51202	1.5
120.80951	1.2
121.02953	2.2
122.02493	8.7
123.02843	2.7
135.04535	7.2
139.11293	1.8
151.11279	3.3
162.83954	3.7
196.86998	1.6
197.11879	6.2
199.13387	4.8
201.11330	1.9
211.13420	21.5
212.13817	1.5
291.19693	53.2
292.19971	3.7
309.20636	4.5
398.67358	1.9
471.26019	100.0
472.26166	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	471.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12637	1.7
57.03444	2.8
58.07594	1.6
59.01394	14.6
61.98850	1.7
62.07389	1.4
69.68256	3.0
69.68640	3.4
71.01393	16.8
72.99310	7.3
75.00882	25.3
85.02958	24.2
87.00881	9.0
93.75082	1.5
95.01402	3.3
98.00304	1.4
98.21827	1.8
99.00861	2.2
103.01505	3.3
113.02452	16.7
116.01172	6.3
119.04997	1.9
129.01910	2.2
155.02916	1.6
157.01375	1.8
160.84210	3.8
162.83858	2.3
174.97238	1.6
175.02484	3.9
197.11967	1.6
277.21735	4.9
295.22794	18.3
375.44318	1.7
435.07355	2.6
436.07367	1.9
471.26004	100.0
472.26575	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	471.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03451	1.7
59.01385	96.2
60.01728	0.8
61.98835	0.8
69.03460	1.0
71.01388	19.5
72.99310	0.5
73.02953	2.8
73.51092	0.6
83.01405	1.9
83.05061	0.7
85.02958	5.4
89.02456	13.2
95.01403	2.3
95.05053	0.7
96.96014	0.6
98.21804	1.0
99.00932	0.6
101.02448	10.4
111.08134	3.1
113.02454	7.6
117.03531	1.0
117.34483	0.5
119.03519	6.0
119.05031	1.6
120.22330	0.5
122.02500	3.1
123.02876	0.7
125.09766	0.7
129.01796	0.5
131.03586	0.6
132.77054	0.5
135.04575	1.6
136.56377	0.5
143.03555	0.7
159.03024	0.6
161.04626	2.4
165.34662	0.5
168.39598	0.6
171.10339	0.8
179.05638	0.7
187.07695	0.6
211.13432	2.3
226.37682	0.6
231.10172	0.6
239.12856	1.1
247.20659	2.0
249.18742	2.6
255.83704	0.7
259.20514	0.6
266.51492	0.6
273.18362	0.6
291.19659	4.5
309.20715	1.1
331.55807	0.6
453.25037	7.3
462.53635	0.6
471.26074	100.0
472.26376	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	471.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03448	1.7
57.34579	0.6
59.01385	19.8
61.98836	0.8
62.20090	0.6
71.01020	0.9
71.01389	12.1
71.02930	0.7
71.05027	21.8
73.02951	3.2
83.01400	1.3
85.02956	6.1
87.00898	3.8
89.02442	5.0
93.03452	0.6
95.01378	1.1
95.05061	1.2
97.06589	5.1
99.00890	1.5
101.02464	5.9
107.05053	0.7
109.02933	0.7
113.02447	4.1
117.03495	1.6
119.03528	1.8
119.05064	2.1
119.08694	1.2
120.99656	9.0
123.08230	0.7
125.02463	0.6
127.11333	1.0
129.01945	1.2
134.03699	0.8
135.04471	1.9
137.09737	22.0
147.03448	0.7
161.02437	3.0
161.04607	1.0
167.10901	0.6
168.65997	0.6
171.10287	38.2
172.10629	0.9
179.03474	0.9
181.12346	1.1
185.11884	1.3
195.13940	1.0
207.13925	2.3
219.13904	2.8
235.17140	3.4
237.14983	1.3
247.20668	1.5
249.11044	0.9
255.95189	0.6
273.18768	0.9
275.20212	1.1
291.19690	46.2
292.20059	3.6
293.21048	0.9
305.21060	0.8
309.20746	53.8
310.21191	4.0
326.10544	0.8
333.20776	0.8
355.11237	0.7
383.18985	6.1
413.12494	1.0
471.20395	23.6
471.26047	100.0
472.14499	1.2
472.20911	1.9
472.26645	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	471.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03451	1.7
59.01385	96.2
60.01728	0.8
61.98835	0.8
69.03460	1.0
71.01388	19.5
72.99310	0.5
73.02953	2.8
73.51092	0.6
83.01405	1.9
83.05061	0.7
85.02958	5.4
89.02456	13.2
95.01403	2.3
95.05053	0.7
96.96014	0.6
98.21804	1.0
99.00932	0.6
101.02448	10.4
111.08134	3.1
113.02454	7.6
117.03531	1.0
117.34483	0.5
119.03519	6.0
119.05031	1.6
120.22330	0.5
122.02500	3.1
123.02876	0.7
125.09766	0.7
129.01796	0.5
131.03586	0.6
132.77054	0.5
135.04575	1.6
136.56377	0.5
143.03555	0.7
159.03024	0.6
161.04626	2.4
165.34662	0.5
168.39598	0.6
171.10339	0.8
179.05638	0.7
187.07695	0.6
211.13432	2.3
226.37682	0.6
231.10172	0.6
239.12856	1.1
247.20659	2.0
249.18742	2.6
255.83704	0.7
259.20514	0.6
266.51492	0.6
273.18362	0.6
291.19659	4.5
309.20715	1.1
331.55807	0.6
453.25037	7.3
462.53635	0.6
471.26074	100.0
472.26376	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	471.3482
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.46008	0.2
61.38233	0.2
65.38708	0.2
81.41750	0.2
91.89922	0.3
98.22703	0.5
112.05350	0.2
117.73907	0.2
197.49722	0.2
199.03766	0.2
265.03363	0.2
387.69061	0.2
405.31613	0.2
408.08554	0.2
410.42932	0.3
471.34814	100.0
472.35172	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	471.3483
Annotation	Odoratone
Peak:m/z	Relative Intensity
70.72907	0.4
303.87833	0.4
330.68512	0.4
407.33240	0.9
425.34415	0.4
471.34805	100.0
472.35181	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	471.3479
Annotation	Odoratone
Peak:m/z	Relative Intensity
69.11842	0.6
69.12253	0.4
73.78434	0.2
78.95969	0.2
98.21854	0.3
102.11017	0.2
151.40887	0.2
393.31757	0.4
405.31525	0.2
423.32584	0.8
471.34802	100.0
472.35144	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	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80392	0.4
69.75293	0.9
69.75665	1.4
71.05032	2.1
97.80835	0.4
105.22236	0.4
112.76186	0.4
166.98953	0.5
295.07947	0.6
308.01157	0.4
337.09412	0.6
365.08618	1.3
407.33286	0.5
411.32703	1.3
427.36005	0.8
451.87891	0.5
453.33762	13.3
454.33902	1.2
471.34821	100.0
472.35190	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	471.3481
Annotation	Odoratone
Peak:m/z	Relative Intensity
57.51411	0.6
64.02663	0.6
78.95877	0.6
91.01965	0.6
94.78838	0.7
96.96040	0.7
98.22615	1.9
174.66750	0.6
201.05341	0.6
317.68652	0.7
447.20432	0.6
451.66077	0.6
471.34818	100.0
472.35190	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	472.089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19493	1.7
64.01923	4.3
65.00327	2.9
65.99850	19.5
68.99805	2.1
69.73837	8.1
72.98945	1.8
78.11113	2.3
86.35201	2.0
89.99834	1.9
92.21043	2.0
96.00938	3.8
99.00880	5.4
108.00924	5.2
116.97346	1.7
119.04983	1.9
120.00955	4.0
136.00423	23.4
148.00455	4.1
149.01167	2.7
150.01952	2.1
160.00400	3.0
163.99939	28.0
171.04539	3.7
175.99928	34.7
177.00668	3.2
187.99887	4.4
190.98511	3.2
203.99385	6.1
215.99432	5.7
224.07187	2.9
226.05086	4.4
234.05603	2.4
238.05084	2.6
240.06721	3.4
243.06599	5.6
252.06755	3.0
264.06732	3.8
268.06183	77.7
269.04373	4.3
269.06870	3.7
270.05252	3.2
271.06171	10.2
280.06165	55.4
281.06442	5.1
292.06119	4.2
295.04910	3.6
308.05667	22.8
309.06412	2.4
320.05594	18.2
325.07346	4.2
333.67068	2.2
336.05054	3.7
340.08334	11.0
350.06696	3.9
352.08304	39.4
353.09073	2.6
364.04611	5.3
368.07748	100.0
369.07974	6.2
488.05606	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	472.089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	9.0
65.99859	28.2
69.63488	16.6
69.63837	24.0
78.69811	8.9
82.73845	9.6
91.06497	8.8
99.00850	12.1
110.00098	15.4
111.00880	9.7
120.00927	11.3
130.08694	9.3
136.00432	39.8
137.08708	8.1
148.00505	9.3
153.63980	8.5
155.99825	7.7
163.99916	35.3
165.99231	10.8
175.99928	26.4
187.71439	8.0
223.70398	8.4
243.06627	23.4
264.06720	16.0
268.06213	76.7
269.04434	13.8
270.07791	14.5
271.06107	100.0
278.08026	9.0
280.06107	66.9
292.06256	14.3
308.05774	23.9
310.07455	15.9
310.10760	18.2
312.08609	13.3
320.05682	37.2
340.08368	22.9
352.08170	89.8
368.07831	64.4
396.06793	20.7
428.09985	65.5
472.12500	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55639	1.1
59.01387	14.7
61.98844	1.8
65.00336	2.2
69.63969	4.8
72.02985	1.4
81.68674	1.2
85.02991	2.4
93.03458	6.3
96.04574	6.3
98.02477	2.2
100.15947	1.3
101.02482	1.3
116.05054	1.4
117.03484	2.3
117.60584	1.7
119.05036	100.0
120.04563	6.0
120.05379	3.7
121.02932	1.8
122.02496	24.2
133.01741	1.9
135.04564	2.8
136.03999	1.7
137.09705	1.5
138.05635	15.3
140.03545	4.0
143.05038	5.9
144.04636	2.3
145.02966	19.7
146.02481	2.8
146.03496	1.5
152.03519	1.3
160.04099	2.6
161.04912	1.4
161.06078	6.5
162.05638	6.6
164.03542	10.4
166.01480	1.9
172.03996	1.2
176.07103	2.3
178.05148	10.4
180.06677	2.3
185.06067	2.1
187.04042	5.8
188.03566	7.1
190.01456	9.1
195.53404	1.5
206.04593	37.6
207.04884	2.8
208.02431	1.6
220.06171	3.6
232.02400	1.9
232.06276	2.9
258.04056	3.6
266.08200	1.9
268.03809	2.4
269.04599	4.9
277.52328	1.2
284.09396	2.5
286.07166	2.2
297.04010	2.8
308.09326	5.8
309.20596	1.4
310.07266	14.0
326.10361	70.3
327.10736	6.4
352.08273	12.2
378.09924	3.8
471.26434	1.8
472.14081	99.9
473.14603	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	472.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.4
59.01630	1.0
60.02559	0.8
65.00337	2.7
71.01374	1.6
79.25402	1.0
93.03477	6.0
96.04559	5.8
98.02462	2.2
99.50114	1.0
108.04596	1.5
109.02969	2.3
117.03492	5.1
119.05038	86.6
120.04556	5.9
120.05364	2.1
122.02499	3.8
134.06061	1.3
135.04601	1.1
138.05623	11.7
140.03546	2.5
143.05019	3.8
144.04581	2.4
145.02972	18.8
146.02489	2.3
148.04027	1.5
150.05635	1.4
152.03528	1.8
160.04007	2.9
161.02461	4.1
161.06091	5.0
162.05568	5.8
164.03546	11.1
166.01372	1.2
178.05148	10.8
180.06674	1.9
185.06100	2.3
187.03995	5.8
188.03506	6.4
190.01442	10.0
206.04590	35.0
207.05048	1.7
208.02596	1.9
220.06155	3.8
228.52341	1.1
232.02672	1.4
232.06070	2.2
242.08279	1.2
246.97008	1.0
255.02866	1.5
258.04068	2.5
266.08392	1.7
268.03778	3.3
269.04550	6.7
284.05865	1.2
284.09103	2.0
286.07162	2.8
308.09262	6.3
309.17947	1.0
310.07251	13.1
319.32968	1.1
326.10382	67.4
327.10690	5.5
352.08420	9.2
378.09824	3.5
389.94162	1.0
459.05637	1.1
472.14056	100.0
473.15283	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	472.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.4
61.98833	1.8
65.00310	1.7
71.01389	1.6
73.02980	1.1
85.02987	1.1
92.05061	1.5
93.03468	6.8
94.02966	1.2
96.04571	5.7
98.02464	2.1
116.05045	1.0
117.03461	4.2
119.05041	93.2
120.04542	5.3
120.05373	5.2
121.02906	2.7
122.02474	4.7
132.04625	1.2
134.06105	1.2
135.04575	1.4
137.02403	3.4
138.05621	11.9
140.03481	1.8
143.05054	5.0
144.04581	2.5
145.02965	20.4
146.02451	3.4
150.05646	1.3
160.04065	2.3
161.06091	5.0
162.05582	6.6
164.03542	12.3
166.01529	2.0
178.05090	9.5
180.06703	1.9
185.06174	1.1
187.04021	4.9
188.03529	5.9
190.01454	10.4
206.04597	37.0
207.04927	2.1
208.02419	2.4
220.06175	3.7
232.02484	2.0
232.06123	4.0
242.08231	1.8
243.29031	0.9
258.04120	2.1
266.08185	2.1
269.04559	2.9
282.11441	1.4
282.29883	1.1
284.05832	1.2
284.09259	2.3
286.07312	2.1
298.10776	1.6
303.07642	1.0
308.09216	6.0
310.07239	16.6
311.07272	1.3
325.16165	1.1
326.10355	67.6
327.10834	6.1
327.13895	1.0
352.08292	10.3
378.09891	4.6
451.01263	1.0
472.14050	100.0
473.14600	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	472.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70153	1.1
59.01364	2.5
64.01929	3.9
65.00337	5.4
65.95985	1.6
65.99848	23.4
68.99842	1.3
76.01517	1.1
80.10894	1.3
81.27266	1.1
89.99837	1.8
95.01417	1.9
96.00993	1.2
107.01398	2.2
108.00938	3.3
110.00126	1.1
110.02496	5.1
120.00919	3.1
122.02480	1.4
122.08741	1.2
123.03276	6.0
126.33646	1.2
129.07129	1.3
134.02492	7.7
135.03281	5.4
136.00420	7.8
138.01965	2.7
145.06619	1.5
151.00427	5.7
151.02765	6.6
155.02286	2.1
163.00407	2.3
163.99915	4.2
165.00690	3.1
166.01544	1.9
170.06110	2.3
171.04556	4.2
173.06108	1.3
175.99883	21.5
177.00540	2.6
178.01440	1.3
189.99222	1.5
192.03009	3.4
194.06137	1.8
200.07233	2.2
207.06834	1.3
210.05452	1.5
212.07170	2.3
213.05594	3.4
218.01131	1.2
224.07219	1.5
224.65656	1.3
226.08788	2.7
228.06686	1.6
236.07196	1.5
238.05095	2.7
240.06607	2.2
242.08258	50.5
243.08640	2.7
252.06631	3.2
255.06624	19.4
261.79388	1.1
264.06616	2.1
268.06122	11.3
269.06763	3.5
270.07721	100.0
271.05649	2.1
271.08463	5.8
280.06158	19.0
281.06458	1.5
296.05637	10.9
308.05576	3.2
312.08725	1.7
324.08777	3.0
342.83484	1.5
366.09839	2.7
370.10855	2.1
401.50302	1.4
412.11938	50.9
413.12265	6.2
426.25735	1.4
428.14957	1.4
454.12997	84.2
455.13489	8.1
472.14096	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	472.1586
Annotation	Raloxifene
Peak:m/z	Relative Intensity
51.46356	1.0
59.01381	2.4
67.03020	4.9
68.02544	1.8
69.90563	3.3
71.01385	2.8
75.00918	1.1
82.04121	1.2
84.78654	1.1
85.02952	2.6
88.04060	1.9
88.13065	1.0
90.75179	1.2
92.05074	22.3
93.04552	1.4
102.05617	5.8
106.04122	4.6
109.04095	3.8
110.66081	1.0
111.03131	1.3
113.02501	2.6
115.00396	1.2
123.62048	1.2
124.05148	1.5
126.06732	5.5
128.03560	45.4
135.05637	8.2
136.04037	5.9
146.04588	6.0
147.05707	5.6
148.04077	14.2
149.04681	2.2
151.06264	2.5
154.99625	1.5
163.06265	10.8
173.07246	1.7
177.10353	8.7
187.08858	2.1
189.10374	5.7
203.08141	1.4
214.09863	1.4
215.08347	1.4
215.79222	1.3
221.09337	11.2
233.09308	19.7
234.90231	1.1
256.11926	2.3
258.09073	2.0
275.11560	8.6
300.11053	48.8
301.11331	2.6
303.06430	1.1
343.11243	11.8
359.06042	2.8
360.16855	4.2
385.16309	19.1
386.15735	2.0
401.07761	1.3
404.15778	55.3
405.16034	3.6
411.14221	7.3
415.06699	2.7
429.15207	18.8
454.14761	5.4
454.94412	1.4
472.15927	100.0
472.23279	3.4
473.16254	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	472.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99221	0.9
59.01385	12.1
61.73077	0.8
61.98835	4.1
69.44167	3.1
71.01387	3.9
77.23638	0.9
84.04561	4.8
87.00933	0.9
87.47441	1.0
89.02432	1.1
90.92088	0.9
93.03477	3.0
96.99360	0.9
101.02441	1.4
108.02133	1.3
109.02966	69.4
110.03351	1.7
113.02435	1.1
114.05626	13.4
117.03480	31.3
118.03804	1.0
119.05042	9.0
120.04563	1.1
122.02457	1.0
125.02486	1.3
133.02980	4.6
135.04552	14.9
136.04884	1.6
138.05641	1.7
145.02975	1.2
161.02464	100.0
162.02837	5.0
177.01976	1.5
178.05084	1.2
179.03400	1.5
182.08223	1.2
185.06126	1.8
186.08926	1.0
200.09319	18.2
205.65430	0.9
206.04601	3.8
232.10614	1.0
268.03696	5.8
269.04510	6.3
271.06143	38.7
272.06445	3.0
285.04120	1.0
292.20114	1.3
303.40823	1.0
310.07239	1.5
319.95157	1.0
326.10410	7.1
334.25482	1.0
364.16245	0.8
393.25095	1.0
418.24463	1.1
472.14899	9.7
472.23419	3.0
473.10355	6.8
473.22513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.34551	52.2
70.09753	9.0
71.01373	16.7
73.02966	14.2
84.83441	12.6
88.04033	20.6
90.25258	10.4
96.00896	11.9
98.22575	19.1
101.02461	15.1
110.97928	9.1
113.02460	12.5
115.00363	15.2
132.03104	15.0
155.08270	13.3
160.01616	21.8
166.08708	12.4
175.04044	27.5
193.04907	11.4
225.16063	22.6
301.01828	10.2
341.96625	10.6
429.17703	37.7
438.19125	16.4
455.21536	21.5
473.16492	29.1
473.22525	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	472.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	94.5
66.89843	29.2
69.59586	30.0
71.27795	31.7
71.45076	28.4
97.15690	31.1
98.21906	100.0
110.86953	26.7
118.84446	31.0
122.02502	28.8
159.07086	38.3
179.74498	34.0
279.77832	30.5
288.19580	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	473.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14572	0.8
57.03448	1.0
59.01390	4.2
62.16114	0.7
69.97393	2.3
71.01385	1.9
76.66237	0.7
79.95743	22.3
80.96523	11.9
89.02404	0.8
89.32484	0.8
93.03487	1.4
96.96018	4.5
101.02447	1.2
110.40258	0.8
117.56976	0.7
121.02955	10.0
122.03757	8.4
123.00894	4.8
123.04480	1.3
128.03560	1.0
132.02158	1.6
133.02936	2.0
134.03758	2.0
135.04523	1.0
136.01649	1.0
138.03238	4.0
149.02420	8.3
150.03238	77.6
151.03751	2.6
153.05609	5.5
160.01666	4.6
162.03236	2.7
164.04794	3.0
165.05577	92.4
166.05917	3.1
166.99867	7.4
175.03996	4.9
176.83208	0.9
177.05586	3.3
179.07123	1.5
180.04327	4.9
181.05022	0.9
182.02217	19.0
183.02794	1.3
193.05026	2.5
195.06644	30.6
196.06982	1.0
197.04562	29.9
198.04919	1.2
201.63623	0.8
203.00198	3.2
220.64896	0.8
245.01251	48.7
246.01501	2.0
257.01257	1.1
259.02850	1.6
269.00964	1.2
269.04541	2.9
275.02328	25.5
276.02811	1.4
281.10681	0.9
285.19324	0.9
297.00427	2.7
345.09579	1.2
372.88425	1.1
393.11911	9.2
473.07587	100.0
474.08017	8.2
492.26254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89347	0.1
59.01386	0.9
63.02118	0.1
63.02399	2.5
65.00036	0.1
65.00325	1.9
69.05886	0.1
69.13180	0.5
71.01389	0.2
79.01871	0.1
81.03466	0.2
83.01393	0.5
89.00362	0.1
93.03475	1.4
94.00578	0.1
98.21778	0.1
105.03482	0.3
107.01398	3.8
113.02453	0.1
117.03479	8.4
118.03850	0.2
119.01383	0.1
119.03500	0.1
119.04987	0.1
121.02964	1.2
122.00121	0.1
122.59041	0.1
123.00911	0.1
131.05028	0.1
132.02171	0.1
133.03065	0.1
135.00873	0.1
135.04546	0.3
137.02434	0.2
139.05568	0.1
141.03531	0.1
141.06985	0.1
143.05054	0.2
145.02930	0.1
147.00891	0.2
148.01678	0.2
149.02461	3.0
150.99165	0.2
151.00385	3.2
152.00735	0.1
153.07123	0.1
155.05083	0.4
157.06540	0.4
158.03671	0.1
159.04532	2.8
160.04919	0.1
161.02460	2.7
161.04504	0.1
162.02892	0.1
167.05064	0.1
168.05878	0.1
169.06622	1.3
171.04594	0.2
173.06142	0.3
175.00410	0.1
180.05847	0.6
181.06612	1.3
182.03741	0.4
183.04538	3.2
184.04880	0.2
185.02440	0.1
195.04553	0.4
196.05286	1.6
197.06094	1.9
198.06454	0.1
199.04041	0.4
200.04718	0.1
201.05605	1.4
202.05835	0.1
203.03497	0.2
209.06059	0.2
210.03226	0.2
211.04115	0.1
213.05585	0.3
223.04166	0.1
224.04793	1.1
225.05592	5.3
226.05946	0.3
227.03506	1.0
228.03714	0.1
237.05563	0.3
239.03525	0.1
240.04343	1.1
241.05092	0.7
251.03456	0.1
253.05148	0.6
255.06656	0.2
265.05066	0.4
268.03796	1.1
269.04565	100.0
270.04907	6.0
281.04550	0.5
282.05240	0.1
283.06143	0.7
293.04572	0.3
307.05984	0.1
311.05688	1.6
312.05737	0.1
413.08801	0.4
431.09851	0.3
473.10904	46.6
474.11279	4.4
474.18509	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	473.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75768	0.3
57.58279	0.4
65.00331	1.9
67.43484	0.4
70.04665	1.1
82.76889	0.4
95.01416	0.5
106.50505	0.4
123.00910	0.6
135.74652	0.5
136.97835	0.4
136.98756	2.3
139.00354	1.2
141.07118	1.2
143.05035	0.5
145.02936	0.5
150.59790	0.4
157.29016	0.4
166.99902	0.7
167.04997	0.7
169.06609	2.7
171.04514	1.3
185.06119	0.6
195.04524	1.7
197.06061	2.7
213.05583	1.3
223.04024	3.3
225.05609	0.8
241.05020	2.9
251.03540	2.4
268.03806	0.7
269.04556	100.0
270.04904	6.3
432.64798	0.4
454.23059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60459	0.1
59.01384	3.7
65.00330	0.6
67.01902	1.5
68.99828	0.3
77.32981	0.1
79.74383	0.1
82.00600	0.2
92.54856	0.1
95.01411	0.8
98.21764	0.2
101.03986	0.3
102.53133	0.1
110.00082	1.0
111.00857	0.2
117.03471	0.2
119.01420	0.1
121.02872	0.1
123.00857	0.3
127.05548	0.3
135.00922	0.3
136.98804	0.2
137.02464	0.2
137.99617	0.3
139.00368	0.6
139.05542	0.3
141.07111	0.5
143.05025	0.3
145.02959	0.4
145.06564	0.3
151.05626	0.2
153.07124	0.4
155.05054	0.6
156.61636	0.1
157.06618	0.2
163.00378	3.2
163.01669	0.2
165.01945	0.4
165.99068	0.7
166.99869	0.4
167.05058	0.3
169.06615	2.2
170.06868	0.1
171.04535	4.3
171.08145	0.3
172.04819	0.2
173.06068	0.8
180.05894	0.1
181.06621	0.9
183.04564	0.8
184.05278	0.7
185.06064	0.6
192.00577	0.2
195.04482	0.8
196.05212	0.4
197.06091	7.1
198.03232	0.5
198.06403	0.5
199.04031	1.4
201.05606	0.3
207.04517	0.2
211.04025	0.4
212.04796	0.4
213.05583	2.5
223.04002	0.8
224.04803	1.1
225.05586	3.3
239.03465	1.2
240.04326	1.0
241.05080	2.0
242.05374	0.2
252.04227	0.1
267.03110	0.7
268.03796	10.0
269.04565	100.0
270.04907	6.3
281.04620	0.3
311.05499	0.2
413.08801	0.7
431.09772	0.3
473.10928	19.0
474.11243	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	473.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
59.03959	0.2
65.00329	1.3
68.99787	0.3
69.15241	1.5
95.01401	0.8
110.00094	2.4
123.00898	0.4
136.98865	1.4
137.02446	0.4
137.99467	0.3
139.00331	0.7
139.05553	0.4
141.07077	1.1
143.05025	0.3
145.02954	0.3
151.05573	0.3
155.05014	0.3
157.06563	0.3
163.00298	0.8
164.98265	0.3
165.99074	2.2
166.99905	0.7
167.05046	1.0
169.06573	2.5
171.04555	1.4
173.06125	0.4
179.05046	0.6
181.06612	0.3
183.04608	0.3
184.05316	0.8
185.06151	0.3
195.04530	2.1
196.05261	0.4
197.06078	2.7
207.04541	0.3
211.04028	1.0
212.04759	0.3
213.05579	1.3
223.04027	3.4
224.04727	0.6
225.05551	1.0
239.03506	1.4
240.04277	0.8
241.05061	2.7
243.06671	0.3
251.03537	2.1
252.04074	0.3
253.05083	0.4
265.05249	0.3
267.02982	1.5
268.03772	16.1
269.04550	100.0
270.04904	5.6
271.06195	1.4
311.05402	0.4
336.27539	0.3
413.08734	1.0
431.09799	0.7
454.51541	0.3
473.10916	31.1
474.11218	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	473.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
59.01384	3.7
60.42676	0.1
65.00322	0.5
67.01896	1.4
68.99823	0.4
69.99010	0.1
95.01393	0.9
98.21729	0.2
101.03956	0.3
110.00101	1.1
111.00894	0.2
113.66785	0.1
115.05554	0.2
117.03448	0.2
119.01379	0.4
123.00880	0.2
127.05528	0.5
135.00900	0.2
136.98816	0.4
137.02477	0.1
137.99606	0.2
139.00352	0.7
139.05536	0.3
141.01962	0.1
141.07111	0.6
143.05002	0.3
145.02948	0.3
145.06555	0.3
151.05571	0.3
153.07140	0.5
155.05040	0.8
157.06555	0.2
163.00380	3.3
164.01089	0.1
165.01941	0.4
165.99152	0.6
166.99864	0.3
167.05025	0.3
169.06604	2.4
171.03050	0.2
171.04524	4.5
171.08162	0.3
172.04901	0.2
173.06047	0.8
180.05817	0.1
181.06604	0.8
183.04521	0.5
184.05275	0.6
185.06099	0.5
192.00644	0.2
195.04475	0.8
196.05319	0.6
197.06088	7.4
198.03261	0.6
198.06400	0.4
199.04028	1.3
201.05615	0.4
207.04648	0.1
211.04021	0.4
212.04796	0.3
213.05574	2.1
223.03996	0.7
224.04848	1.0
225.05592	3.5
226.05942	0.2
227.03439	0.2
239.03461	1.1
240.04318	0.9
241.05063	2.5
253.05144	0.2
267.03030	0.9
268.03784	10.7
269.04559	100.0
270.04904	6.4
281.04614	0.4
311.05661	0.2
413.08734	0.7
431.09763	0.3
473.10913	18.6
474.11264	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	473.1095
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01272	3.8
59.01607	1.2
59.89713	0.3
62.05684	0.3
63.02290	1.7
65.00217	1.8
67.28177	0.3
71.01293	0.7
73.02857	0.9
73.03199	0.3
74.23162	0.3
74.68854	0.3
75.04226	0.3
77.95525	0.3
79.95625	2.6
80.96400	1.4
83.01316	0.4
84.25925	0.3
85.02857	0.4
87.00752	1.0
89.02349	0.5
93.03336	1.7
97.35138	0.3
99.04409	0.5
101.02373	0.7
105.03351	0.5
107.01266	3.2
113.02378	0.6
117.03469	7.6
119.04923	0.5
121.02965	2.0
122.03622	1.0
123.00731	0.9
128.03551	1.7
130.08699	0.7
131.01373	0.3
132.02193	0.3
134.03629	1.0
135.04448	0.6
138.03101	0.3
141.03383	0.3
148.01588	0.5
149.02461	4.3
150.03241	9.1
151.00395	3.0
151.03615	0.5
152.99524	0.4
153.05525	0.4
155.05003	0.4
157.06529	0.4
159.04544	2.8
160.01671	2.1
161.02458	2.8
161.04474	0.5
162.03073	1.1
163.03925	0.6
163.11255	0.6
164.04718	0.8
165.05582	11.6
166.05817	0.8
166.99771	0.9
169.06493	1.3
171.04454	0.4
173.06030	0.4
175.04053	2.2
177.05600	1.7
180.04193	0.5
181.04874	0.3
181.06537	1.5
182.02264	2.6
183.04471	3.3
184.04846	0.4
187.10803	0.6
190.02609	0.6
193.04988	1.2
195.06625	3.8
196.05363	1.8
196.06802	0.4
197.04462	3.8
197.06071	1.6
198.04701	0.4
199.03943	0.6
201.05476	1.5
205.05054	0.6
207.02800	0.4
224.04745	0.9
225.05615	4.6
227.03496	1.3
236.05696	0.3
240.04276	1.1
241.05157	0.5
241.11949	1.0
245.01262	5.7
253.05182	0.4
268.03806	1.3
269.04572	100.0
270.04959	6.6
275.02347	3.0
281.04724	0.5
283.06140	0.6
293.04791	0.3
311.05713	1.3
345.09821	0.5
393.12021	1.2
413.08978	0.5
429.18167	1.3
429.23996	0.6
431.15909	0.3
473.11362	46.0
474.11716	5.0
474.17697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88947	0.3
59.01384	2.7
60.73885	0.3
63.02394	1.8
65.00327	1.6
67.87816	0.3
70.68943	0.6
71.01383	0.7
71.25049	0.4
73.02927	0.3
79.72543	0.3
83.01395	0.8
93.03458	1.3
101.02464	0.5
105.03472	0.4
107.01392	3.7
117.03474	7.8
118.03829	0.3
121.02953	1.0
135.04568	0.4
137.02446	0.6
149.02457	2.9
151.00371	3.0
159.04582	2.6
161.02460	2.0
166.79985	0.3
169.06580	1.0
171.04514	0.3
173.06113	0.3
181.06604	0.7
182.03717	0.4
183.04543	2.8
195.04489	0.4
196.05307	1.6
197.06076	1.5
201.05591	1.7
211.04126	0.4
213.05440	0.4
224.04811	0.6
225.05605	4.2
227.03410	0.8
239.03479	0.6
240.04330	1.2
241.04968	0.7
253.05019	0.7
265.05383	0.4
267.03030	0.5
268.03799	9.2
269.04559	100.0
270.04880	6.2
281.04590	0.6
283.05859	0.3
293.04703	0.3
295.42261	0.3
311.05508	1.3
346.12625	0.5
413.08829	0.4
431.09927	0.4
439.93973	0.3
473.10913	52.3
474.11279	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	473.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22226	0.5
59.44329	0.5
59.99693	0.5
65.00324	6.0
66.80028	0.5
68.99789	0.8
69.12370	3.1
75.86834	0.5
82.00616	2.6
83.01380	0.7
95.01393	1.5
96.99312	1.3
98.21882	1.0
108.02158	1.0
110.00111	14.1
111.00880	4.1
123.00864	1.7
124.01691	9.8
136.01669	2.5
136.98808	4.4
137.99606	3.3
139.00401	6.5
148.69266	0.6
152.01166	7.3
157.06609	1.5
164.98276	2.5
165.99098	10.1
166.99890	3.1
171.08138	0.7
173.06090	2.5
178.99966	0.9
185.06110	2.0
197.06027	0.9
199.07707	0.8
201.05576	0.8
209.06105	1.1
214.06392	0.6
225.05612	4.8
227.07158	2.4
229.05151	1.8
242.05867	0.6
243.06627	30.8
244.07008	2.1
253.05107	5.6
269.04556	5.8
270.05328	12.8
271.06131	100.0
272.06439	4.9
306.90857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02895	1.4
52.57647	1.5
55.01883	2.0
57.03446	1.5
59.01388	45.0
61.98829	4.9
65.00320	6.1
67.01882	2.8
69.66869	3.6
69.67255	3.2
71.01392	21.9
71.21250	1.5
72.99303	2.8
73.02948	9.1
73.03314	1.7
75.64697	1.6
79.76324	1.6
81.03467	3.2
83.01382	4.8
85.02962	8.3
86.49106	1.9
87.00906	2.6
89.02459	13.1
89.15117	1.8
91.01926	2.0
91.08059	1.5
95.01368	2.9
98.21939	1.9
99.00877	15.1
101.02462	12.6
104.49202	1.6
107.01413	3.5
108.02173	7.4
109.02970	5.6
111.00882	2.6
113.02489	15.0
115.00430	2.1
119.03510	1.9
119.05036	8.1
122.03807	2.1
123.00881	1.7
123.04537	16.5
125.02426	5.5
131.03539	3.1
133.02982	12.2
135.11481	1.6
136.98842	12.6
141.03444	4.0
143.03551	2.0
145.06209	3.9
147.04486	3.0
149.04517	4.1
150.03130	3.4
151.00371	10.0
152.01178	13.5
155.03503	1.9
161.02473	2.8
161.04532	4.3
166.02713	16.5
167.03517	64.7
168.03864	3.2
169.02983	5.1
177.01910	3.7
177.05577	1.8
179.03520	1.8
181.05101	14.6
191.05598	5.1
194.02193	10.0
195.02992	2.2
201.01973	2.6
209.04579	100.0
210.05087	5.3
225.02068	1.9
225.07637	3.0
239.05594	18.9
269.00940	9.7
269.06689	41.8
270.07068	3.7
281.10327	2.5
283.02658	2.2
283.05917	1.9
297.00403	33.7
298.00955	3.1
311.07776	3.4
329.08850	5.0
388.45761	1.7
413.14417	2.3
431.15668	7.2
473.12018	5.4
473.16879	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	473.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00336	1.9
59.01366	2.0
63.01134	3.8
65.00329	5.5
65.70151	1.5
65.99852	100.0
68.99831	4.6
83.01376	2.2
84.92743	2.1
89.99851	13.2
93.99346	13.4
98.02489	12.4
99.00905	11.3
103.57249	1.5
105.98151	1.6
107.00143	9.5
110.00122	11.6
111.00909	5.1
119.88799	1.9
120.99377	1.7
121.98850	1.9
122.02443	2.0
123.00891	3.2
124.01665	6.0
133.98813	2.6
134.99646	3.7
136.00436	15.2
136.01357	2.8
136.98853	2.4
137.01184	6.6
137.99614	3.0
138.52913	1.5
139.00371	7.4
152.01126	5.4
161.98349	26.7
163.99887	3.2
164.98354	4.2
165.00688	11.3
165.99089	7.7
166.99837	3.0
167.06128	5.7
169.06570	2.3
171.04503	8.6
173.06049	5.2
177.97774	3.8
178.01395	1.9
180.00639	2.8
189.97777	2.7
194.00969	42.7
203.07237	3.4
203.99377	4.6
205.97354	5.8
207.05641	2.1
209.04915	1.8
219.05563	2.8
220.99658	23.1
222.00311	3.2
225.05559	5.8
227.07141	2.1
235.05231	11.2
235.07214	1.7
236.05817	5.1
241.05072	5.4
243.06633	25.4
244.06996	2.9
253.05057	6.4
255.07854	4.6
263.04715	2.8
264.05447	4.6
266.04547	9.2
269.04578	16.2
270.05270	9.9
270.07849	4.1
271.06131	88.9
272.06494	5.2
276.03091	7.6
282.04178	10.8
291.04190	8.2
292.04782	3.3
297.06955	2.1
298.07178	15.9
299.07626	2.3
320.04388	88.2
321.04605	6.6
326.06726	2.8
351.06131	11.2
352.06989	33.7
353.07138	3.7
363.73306	1.7
441.66913	1.8
473.12936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.1
57.03456	1.4
59.01383	100.0
65.00328	8.9
69.03448	1.8
69.43153	1.1
71.01385	54.8
72.99313	1.5
73.02951	39.0
81.03493	1.2
83.01402	10.9
85.02956	18.0
87.00882	3.0
88.75832	1.4
89.02451	38.5
90.02875	1.1
93.03460	1.3
95.01378	5.8
97.02950	3.0
97.11315	1.0
97.87747	1.1
99.00887	68.4
99.04517	4.4
101.02453	40.7
109.02980	1.4
113.02459	30.4
114.02795	1.7
117.03495	2.5
117.51244	1.2
119.03553	8.2
119.05040	23.3
125.02447	5.3
127.04047	1.6
131.03513	9.4
135.04501	2.4
136.98824	12.2
137.06085	3.9
139.74339	1.0
140.01476	1.1
141.03473	4.5
143.03474	7.0
145.02968	1.9
149.02473	1.6
149.04567	19.3
150.03214	2.6
155.03517	2.6
159.03020	1.5
161.02510	1.8
161.04555	17.3
162.03230	3.1
165.05527	2.2
167.03519	2.8
169.02969	4.8
171.04547	1.4
171.17479	1.3
173.02461	1.5
176.04910	1.4
177.05602	4.6
182.82330	1.2
185.02435	1.2
191.03781	1.5
191.05617	20.4
197.02441	1.3
201.02060	2.3
203.05617	8.4
209.04506	1.6
213.01802	1.3
213.73575	1.1
225.01971	3.6
233.06693	2.5
236.09100	1.2
239.03587	1.1
245.01289	1.5
269.00897	11.8
269.10312	9.3
281.10321	13.7
296.26517	1.3
297.00415	31.1
297.07660	10.4
298.00995	2.8
299.01947	1.7
299.11407	8.5
325.07135	1.9
341.12469	9.7
353.06671	21.2
354.07330	1.4
365.06604	1.5
383.07700	3.4
413.14447	7.1
431.15579	38.8
432.16003	3.9
473.10828	11.4
473.16751	44.3
474.17023	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72192	0.5
59.01384	36.9
65.00305	0.8
67.01888	1.9
69.13045	2.6
71.01392	8.6
72.99303	1.0
73.02945	1.4
77.37770	0.7
80.66197	0.5
81.03462	1.9
83.01375	0.6
85.02959	1.7
89.02444	4.4
91.01904	3.1
95.01405	1.7
99.00867	0.6
101.02452	4.2
107.01386	6.4
108.02180	8.8
109.02962	5.9
110.00113	0.6
111.00878	1.9
113.02458	4.6
119.03490	1.1
119.19391	0.5
122.03748	2.9
123.00875	2.0
123.04527	16.3
125.02460	2.4
125.05988	0.6
126.05657	0.5
133.55013	0.5
136.01656	1.0
143.07159	1.4
150.03256	2.1
150.04391	0.6
151.00374	12.1
152.01152	12.7
153.01968	5.4
161.02419	0.5
161.04556	0.7
165.05603	1.2
166.02725	15.6
167.03508	70.3
168.03812	2.1
181.03625	1.0
181.05086	15.3
182.05383	0.9
194.02238	9.3
195.02997	7.6
209.04558	100.0
210.04889	4.4
215.22145	0.5
225.04100	0.7
229.08977	0.7
239.05620	17.7
240.05936	0.8
254.04382	0.8
255.05122	24.2
256.05441	1.0
269.06668	38.8
270.07111	1.6
299.05603	1.2
311.08032	0.6
315.07169	4.1
323.13605	5.2
324.13690	0.6
329.08749	7.5
330.08932	0.6
391.02524	0.6
397.14893	1.6
399.13031	1.7
413.09006	1.3
413.14536	24.2
414.14853	2.2
441.13956	0.9
455.15396	1.6
473.16669	47.0
474.17163	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	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.5
56.33242	1.0
57.03441	2.4
59.01384	100.0
61.00422	4.2
65.29001	1.1
69.03420	1.4
71.01387	37.9
71.24881	1.3
72.99320	6.1
73.02954	11.8
81.03448	1.4
82.13956	0.9
83.01416	2.7
85.02956	19.5
87.00871	4.1
89.02451	37.3
94.33888	1.0
95.01380	4.1
96.00923	1.7
97.02966	2.5
99.00890	31.9
101.02442	16.6
106.72792	1.0
107.05071	1.8
108.86893	1.1
109.02937	1.2
111.00880	1.4
111.04580	1.6
111.66306	1.1
113.02459	38.4
116.07251	1.1
119.03539	8.6
119.05035	18.8
125.02472	2.1
128.03540	4.6
130.08775	1.5
131.03517	4.0
134.03738	2.3
135.04536	47.7
137.06088	16.0
143.03510	3.5
149.04558	10.1
150.03271	2.8
155.03456	1.1
161.04585	6.6
163.00276	1.2
165.05588	3.1
166.08763	1.1
167.03401	1.2
177.05553	1.2
178.02710	0.9
179.03513	41.7
179.05156	1.5
180.03871	1.4
180.10262	1.4
183.24532	1.0
191.05643	4.9
197.04543	1.4
200.68440	1.0
209.08171	2.8
210.07686	1.3
226.12053	2.3
245.01302	2.2
269.04703	5.8
299.11301	6.0
341.08646	3.7
357.15903	1.1
395.13480	2.0
413.14554	69.4
414.14923	5.2
431.15598	50.1
432.16037	5.3
455.21463	1.2
473.07443	1.5
473.12891	21.9
473.22946	1.5
474.13718	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	473.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56410	1.3
52.18059	1.3
56.73429	1.2
59.01386	35.4
59.38344	1.2
69.46545	2.1
69.46966	5.1
71.01389	17.9
73.02942	6.9
74.02499	1.6
74.99113	6.7
75.00878	2.8
78.95914	4.6
79.95744	27.6
80.96520	14.7
83.01366	2.9
85.02960	14.3
86.70608	1.3
87.00876	1.4
88.04066	1.5
89.02432	7.1
93.03479	2.5
94.58086	1.3
95.01400	2.2
95.83888	1.3
96.00938	4.9
96.96033	6.3
96.97002	1.6
98.02500	1.6
98.21918	1.7
99.00894	2.7
101.02451	12.9
113.02480	6.3
113.03600	2.7
114.27373	1.3
118.98121	2.4
119.03566	1.9
119.05008	2.4
121.02984	9.3
122.03734	6.7
123.00902	7.3
125.02441	1.5
127.05152	1.5
128.03542	4.8
130.08743	1.6
131.03590	1.7
132.02164	2.5
132.03053	1.9
133.02983	4.8
134.03767	4.8
135.00620	1.7
135.04549	6.4
137.02338	1.4
138.03238	3.5
143.03496	1.6
149.02461	9.8
149.06110	1.9
150.03242	72.5
151.03737	1.4
152.07173	1.8
153.05589	5.4
155.08342	2.1
160.01663	7.3
161.04561	4.1
162.03255	2.4
163.11302	3.4
163.88625	1.4
164.04871	3.4
165.05582	100.0
166.05914	3.4
166.08675	2.7
166.99899	6.3
175.04039	11.7
177.05582	3.5
180.04317	4.8
182.02237	22.3
182.03748	2.5
193.05113	5.6
195.03439	2.3
195.06616	25.6
197.04543	25.8
201.99014	1.4
203.00232	3.0
211.14586	1.8
225.16045	1.6
228.17351	2.0
241.01334	3.1
245.01276	48.4
252.02992	1.6
259.02744	2.6
264.17377	1.8
269.00845	6.5
269.10272	2.3
275.02362	21.7
297.00458	9.1
308.16013	1.8
311.11588	1.8
325.18942	3.2
345.09995	2.2
393.11969	9.4
429.17584	3.6
431.15472	6.8
473.07645	90.2
473.16486	10.1
473.22461	4.8
474.08017	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	473.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90180	4.4
59.01385	100.0
66.03500	5.2
67.92815	4.9
68.35949	4.8
71.01396	30.8
72.86243	4.2
73.02945	17.6
81.03328	19.6
81.65327	3.9
83.01389	8.3
88.04066	20.8
89.02451	6.4
96.00916	17.1
99.00928	4.5
101.02447	15.5
102.19577	4.3
113.02483	7.5
113.03600	6.0
115.00372	10.2
124.32420	5.2
128.03540	16.3
130.08749	5.9
132.02161	10.6
132.03105	11.5
134.03786	21.8
138.09160	4.4
155.08281	8.1
160.01698	39.8
163.11261	8.0
165.05617	6.2
166.08716	10.0
175.04031	48.1
178.01762	6.3
193.05074	31.9
201.12436	5.2
205.02885	98.0
207.10307	11.0
225.16188	8.6
235.06139	5.4
249.18439	4.2
252.02928	74.2
259.51669	5.2
270.03775	6.6
278.18967	5.8
279.60403	4.5
297.68350	4.2
322.17590	6.4
323.16141	12.2
339.20456	11.1
340.18872	7.3
355.06949	4.7
358.19803	7.3
387.16364	10.0
429.17679	52.9
429.23138	5.3
438.18735	18.8
455.21454	12.4
473.16583	46.4
473.22513	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	473.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01386	27.2
63.43100	0.7
69.54169	3.5
71.01389	13.5
73.02953	4.5
74.92659	0.7
74.99107	1.7
81.03389	1.2
83.01391	2.3
85.02956	6.2
87.00875	1.2
89.02457	7.3
95.01416	1.4
99.00854	1.1
99.17565	0.7
101.02457	9.1
113.02473	5.2
117.03455	2.7
118.98100	1.4
119.03519	2.5
125.02442	3.4
132.02190	19.4
132.03169	1.2
133.02980	2.5
134.03760	40.4
135.04546	1.5
135.06654	3.4
136.98784	1.0
149.04811	0.8
149.06061	4.5
159.03014	0.8
160.01677	85.5
161.02026	3.2
161.04561	3.0
175.04024	100.0
176.04387	5.5
178.02705	1.5
179.03535	0.9
191.07169	3.6
193.05083	47.3
194.05365	1.4
195.03331	0.9
198.74942	0.9
205.02875	4.0
205.04897	1.2
207.06601	1.7
235.06133	10.3
236.06586	1.0
252.02940	3.2
265.07019	1.9
269.10339	1.5
295.08273	2.0
297.00656	0.9
297.30069	1.0
337.09375	1.4
393.83194	0.8
429.17703	2.3
431.15781	3.9
436.94989	1.1
473.16672	88.5
474.17120	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	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53536	1.0
59.01383	27.6
63.02402	1.4
65.00333	1.3
69.48315	4.6
70.76218	1.1
71.01382	8.4
73.02955	7.2
74.02516	1.2
74.63971	1.1
79.95742	23.8
80.96536	11.8
83.01416	2.0
88.04040	3.9
89.02448	2.5
93.03449	2.2
93.79161	1.3
95.01386	1.5
96.00930	5.5
96.96025	5.4
98.02512	1.9
99.00884	1.3
101.02452	5.0
105.03496	1.1
106.00648	1.3
107.01431	2.4
113.02453	3.2
113.03599	2.2
115.00371	4.7
117.03482	4.9
121.02956	7.8
122.03766	7.3
123.00877	6.7
123.04508	2.0
128.03564	4.3
129.10332	1.9
130.08737	2.0
132.02151	3.0
132.03049	3.0
134.03748	6.8
135.04507	2.6
138.03200	2.7
149.02460	13.1
150.03236	81.9
151.00343	1.8
151.03604	2.7
153.05595	6.8
155.08246	2.8
159.04552	1.5
160.01662	10.6
161.02402	1.2
161.04736	1.5
162.03232	3.6
163.11295	5.5
164.04782	4.0
165.05579	100.0
166.05910	4.7
166.08757	4.1
166.99850	6.0
172.40695	1.3
175.04015	14.2
177.05559	3.7
179.07150	2.8
180.04231	6.5
182.02222	20.9
184.49693	1.3
190.02696	2.4
193.05075	8.2
195.06619	33.9
196.07005	1.9
197.04550	32.3
201.05602	2.0
203.00211	3.8
205.05087	4.2
207.14978	1.2
209.11635	1.4
223.06198	2.3
225.05659	2.8
225.16035	1.8
242.18729	1.8
245.01271	51.5
246.01465	1.7
246.05922	1.3
259.02902	1.8
269.04556	54.3
270.04971	3.8
275.02344	25.5
275.05325	1.6
286.08606	1.8
297.00433	1.6
301.10941	1.3
304.16577	2.5
322.17731	1.9
323.15915	2.8
339.20288	3.4
340.18881	1.9
345.09735	2.9
358.19925	1.8
393.11957	9.7
429.17734	16.7
429.23505	2.4
430.17694	1.8
438.18652	6.6
439.19598	1.3
455.21408	7.4
456.20999	1.8
473.07037	88.7
473.16882	4.1
473.22556	9.0
474.08026	10.4
474.16916	1.8
474.22858	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94427	1.3
55.32115	1.4
59.01383	25.7
59.42996	1.3
59.49835	1.4
60.68027	1.5
61.98841	2.1
65.57945	1.3
69.08574	3.1
69.08971	8.1
71.01394	9.3
73.02944	5.0
73.04063	4.1
74.02476	1.9
74.99091	1.7
78.95909	2.4
82.02985	12.5
82.06637	2.2
83.01394	3.3
84.04550	1.5
84.95118	5.2
85.02962	4.0
88.04042	7.6
89.02449	3.7
96.96031	2.6
96.96951	2.6
98.02487	25.0
99.00869	5.9
101.02438	5.9
101.07192	6.6
102.05642	1.7
109.04088	14.3
110.02504	2.8
111.03362	1.5
112.04036	4.7
113.02438	4.5
113.03582	2.9
117.03438	1.4
119.05021	2.2
123.04593	1.3
123.05637	1.8
124.04032	4.5
127.05153	69.5
128.03555	54.4
128.05452	1.4
128.26886	1.3
129.10289	3.7
130.08784	6.6
133.02957	3.8
134.03690	1.5
135.04529	7.3
138.05624	3.1
139.08784	2.9
139.12389	1.5
140.07184	3.2
141.10321	2.0
143.11888	2.2
145.06265	2.9
153.03023	4.5
153.06686	1.6
153.10318	2.8
155.11865	6.2
161.04507	2.1
162.03250	24.5
163.11304	2.5
165.06737	2.2
166.06229	3.4
166.08702	8.1
167.04678	2.8
167.11948	2.2
168.10266	3.9
169.09883	1.8
175.03941	1.9
177.05583	28.5
179.11867	2.4
180.10278	5.6
181.06215	9.6
183.11421	11.0
184.07172	1.5
186.12453	1.6
187.10907	3.0
191.03484	2.9
194.09349	7.1
195.07880	1.7
195.11342	3.8
197.12921	2.5
201.11346	3.2
207.02600	1.6
208.02803	2.2
209.11745	3.8
212.10320	1.4
213.08815	15.7
215.13988	1.6
223.10901	10.7
232.14632	1.7
233.12766	3.4
238.08365	3.4
238.19226	1.6
241.11896	3.7
250.15663	23.3
251.13956	18.2
254.02814	1.5
255.02853	2.9
294.14676	8.9
297.07828	8.2
300.19272	2.2
325.07233	4.6
326.17245	100.0
327.17517	6.9
340.18771	2.3
344.18323	2.3
353.06674	18.8
383.07462	3.5
411.22379	3.6
429.23837	2.1
431.15640	6.8
444.24051	1.6
455.21683	7.4
473.11786	14.8
473.22430	62.8
474.22925	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	474.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.6
61.98831	0.8
63.74986	0.7
67.03015	1.3
69.19080	4.0
76.10915	0.8
81.03330	14.2
92.02563	1.3
108.02189	0.9
111.99506	1.0
124.21343	0.8
124.43233	0.7
151.00691	1.1
152.01198	1.8
153.01915	1.8
169.05154	2.3
178.01768	2.7
191.84236	0.7
205.02876	65.8
206.03146	2.3
252.02950	100.0
253.03185	4.1
358.75150	0.7
417.10483	1.5
482.44119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17197	1.7
56.17666	1.6
59.01378	5.5
61.00430	2.6
65.21926	1.4
67.03017	2.0
70.20661	4.7
81.03334	20.0
87.55175	1.6
88.09928	1.5
109.07854	1.7
118.20126	1.7
149.08966	1.9
151.00627	2.1
169.05251	3.5
178.01791	5.6
185.23128	1.8
193.33861	2.0
203.26494	1.7
205.02879	100.0
206.03259	3.9
252.02982	74.7
253.03156	2.5
270.04007	7.7
278.51868	1.9
294.03967	3.6
312.05051	4.1
414.81790	1.8
462.37912	1.9
497.72775	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	474.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.3
61.98837	4.9
81.03333	9.6
91.47827	1.7
108.02151	2.4
152.01204	5.0
153.01976	3.4
169.05057	2.4
170.40143	2.0
178.01842	2.4
205.02876	68.1
221.16258	1.8
252.02950	100.0
253.03116	6.3
297.98495	1.7
299.25766	1.9
406.00308	2.0
417.10324	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	474.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.4
61.98837	100.0
127.75686	1.1
139.09676	0.9
148.05325	22.1
152.03535	2.0
163.07674	26.8
196.02525	1.7
209.87715	1.0
346.86447	1.1
350.69873	1.0
394.18454	1.1
419.16284	1.0
424.12170	1.0
451.27588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03445	3.7
59.01383	27.7
61.98838	4.1
69.03463	2.0
71.01390	28.1
72.99319	6.2
73.02963	6.9
75.00877	22.7
78.98491	1.5
83.01419	2.4
85.02957	35.1
87.00870	9.4
89.02451	8.4
92.05061	13.8
95.01411	6.8
97.02976	3.1
99.00903	11.4
100.01213	1.9
101.02454	3.9
103.00431	2.6
103.39850	1.6
113.02457	44.5
114.05618	1.7
115.00349	2.2
117.01968	2.2
119.05068	2.6
128.03465	1.6
133.02980	2.9
135.04678	2.0
136.04057	7.9
152.54820	1.6
161.02466	6.5
167.03427	2.3
175.02498	5.3
193.03516	10.8
206.92244	2.0
240.15059	1.6
251.92401	1.6
319.06696	6.6
332.24765	1.8
337.07782	100.0
338.08395	3.7
474.12332	16.6
474.25385	1.5
475.14343	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	474.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97415	6.5
57.27803	7.3
70.35670	17.8
98.22038	9.9
125.87338	12.8
127.87024	13.2
135.30872	7.6
156.36110	7.1
162.83929	100.0
175.29274	7.2
277.23749	8.7
339.34326	7.4
387.33969	8.7
400.11243	15.9
438.08551	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	474.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90545	81.4
53.54609	100.0
55.63534	86.3
57.97356	78.4
59.14857	81.5
61.98813	93.1
73.36221	85.6
98.22791	75.4
108.81775	94.8
110.04467	90.1
120.99761	89.8
127.14816	85.5
266.00479	92.3
392.93188	96.0
460.20959	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
68.44979	2.3
69.41207	11.7
87.04524	100.0
88.04848	2.8
90.33354	2.4
115.04016	14.6
115.31836	2.6
159.86909	2.5
166.57538	2.4
329.27643	2.6
404.17227	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	474.25
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86736	2.6
87.04524	100.0
89.45014	1.8
115.04015	11.8
141.27081	2.0
200.22505	2.2
209.07455	2.0
345.34058	2.3
418.34348	2.1
420.06946	2.1
473.35342	24.7
474.35800	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	474.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93502	5.1
61.98821	13.1
65.94576	6.1
70.40311	5.7
70.96322	7.3
78.11457	5.1
83.23859	5.2
87.04524	100.0
87.06042	5.1
94.08750	5.2
115.04005	16.1
236.59456	5.2
253.57118	7.8
266.38275	6.0
473.35522	6.5
474.36182	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	474.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60103	2.4
70.17789	5.0
72.94029	2.2
81.13608	2.4
87.03980	5.5
87.04523	100.0
113.67122	2.2
113.88806	2.4
115.04043	13.9
311.17059	2.9
473.35431	13.4
474.35818	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07289	17.7
77.51540	5.8
78.65623	5.2
82.19760	5.7
87.04523	100.0
89.03606	5.2
96.63287	5.8
110.90537	6.2
115.04041	13.6
189.12860	8.8
197.02840	8.5
253.29675	6.4
273.65430	6.9
278.22070	13.3
311.16943	9.3
475.26517	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98822	0.7
67.93508	0.3
69.13892	0.4
69.31576	1.2
69.31976	0.9
75.98360	0.3
78.95908	7.5
92.99792	0.3
98.22679	0.4
122.61898	0.3
132.31589	0.4
137.71774	0.4
140.01205	2.4
151.63554	0.3
152.99524	0.4
162.83919	1.6
196.03831	1.7
209.12059	0.4
214.04881	3.9
259.20718	0.5
275.20251	0.5
277.21741	100.0
278.22119	7.0
321.73172	0.3
386.02927	0.4
403.32016	0.4
436.87982	0.4
438.08487	0.9
474.26266	7.8
475.26321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
69.92896	2.1
78.95913	32.3
84.82855	0.6
96.96977	0.8
97.32941	0.5
122.00181	1.4
123.77619	0.7
128.31569	0.6
132.60120	0.6
140.01187	5.3
144.86951	0.6
152.99649	3.2
164.83649	1.8
171.00623	1.1
174.80373	0.7
196.03838	13.5
214.04855	2.9
224.92705	0.5
235.89920	0.6
277.21753	100.0
278.22141	7.4
420.62222	0.7
474.26309	29.7
475.26492	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	474.9652
Annotation	Isorhamnetin 3,4'-di-O-sulfate
Peak:m/z	Relative Intensity
55.67094	2.2
59.01385	3.9
65.00333	4.3
66.64847	2.1
69.89414	6.4
69.89783	2.4
71.01389	3.1
77.53284	1.9
79.95738	12.8
82.00654	2.6
88.91179	1.9
93.68203	1.8
97.48814	1.9
110.00095	11.0
110.37168	2.2
111.00950	2.6
113.02486	3.7
129.59731	2.1
135.04524	6.0
136.98782	2.5
137.99602	6.3
139.00357	8.9
165.99060	13.5
197.00015	3.1
211.03972	2.3
214.02602	2.0
227.03519	2.6
291.32480	2.1
299.01962	24.4
300.02771	61.1
301.03149	5.5
315.05139	82.1
316.05408	7.5
395.00815	100.0
396.01019	9.2
406.06918	2.3
425.73187	2.6
467.17755	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	475.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98166	0.6
63.02417	0.8
65.00328	2.3
68.74532	0.6
68.99845	0.6
71.01392	5.7
83.01436	0.6
91.01891	0.8
95.01402	1.0
110.00105	3.1
111.00961	0.8
115.00385	15.1
116.12859	0.5
122.99137	1.2
124.01652	1.6
128.39183	0.5
135.00883	1.6
136.98825	1.8
138.98604	1.8
139.00391	0.7
148.99147	1.5
151.99422	0.6
152.01085	0.9
163.00398	1.7
164.98277	2.2
165.99060	1.3
166.98112	7.5
169.06589	1.0
171.04541	2.6
173.06099	2.1
176.01073	0.9
179.98831	1.4
181.06673	1.0
181.96785	1.2
192.95993	3.2
193.06497	0.9
194.97614	3.8
195.08116	1.8
197.06128	1.0
207.98358	4.6
209.06070	1.1
209.48486	0.6
211.07643	1.3
220.95493	2.2
221.06020	1.2
222.97047	6.5
223.07681	0.7
225.05650	1.6
225.90079	0.7
237.05800	1.1
239.07123	4.8
241.05197	0.9
243.04491	0.9
243.06792	4.0
244.07037	2.5
245.07184	1.1
249.05594	1.2
253.05109	1.1
254.99710	2.6
255.04831	1.1
265.05063	2.1
267.06635	13.0
269.04578	5.1
270.05164	1.6
271.03973	15.2
272.06604	8.1
273.06750	5.5
281.02744	1.5
281.08124	0.9
284.03290	0.8
286.03052	3.0
293.04575	2.8
294.08289	0.6
299.03842	8.4
309.02289	5.6
310.02789	1.0
311.05618	1.9
325.07141	1.2
327.03351	21.4
328.03714	1.7
341.04980	1.7
359.05960	100.0
360.06274	7.5
451.12439	0.7
457.12677	0.7
475.13559	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04688	0.8
57.03443	2.0
57.23318	0.7
59.01387	9.8
64.27679	0.7
65.00314	2.4
66.23016	0.7
68.99824	1.1
69.50640	2.8
71.01383	8.6
72.99311	2.0
75.00871	3.6
75.82553	0.8
85.02466	1.3
85.02959	18.1
87.00857	1.9
89.02446	1.7
95.01392	5.5
98.21942	1.7
99.00881	5.6
103.00378	3.4
110.00095	3.8
111.94352	0.8
113.02462	26.2
117.01942	2.2
119.01309	0.9
122.69784	0.8
129.01938	0.9
134.49785	1.1
135.00925	1.1
136.98808	4.9
137.02400	1.1
159.43555	0.8
163.00388	15.1
164.01170	2.6
165.99066	3.5
169.84590	0.8
174.81410	0.7
175.02509	5.3
183.04439	1.0
186.03201	1.0
187.03981	1.5
195.04488	1.1
200.04807	3.6
211.03979	2.3
212.04826	2.2
214.02689	2.8
227.03540	1.8
228.04234	1.9
255.02921	4.5
256.03726	1.1
283.02475	4.3
284.03290	100.0
285.03693	6.1
299.05640	78.8
299.08408	1.0
300.06027	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	475.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.8
59.01385	12.3
65.00344	1.2
69.19147	3.4
71.01384	9.1
72.99325	1.8
73.02966	1.2
74.67565	0.5
75.00884	3.8
85.02958	18.0
86.03287	1.0
87.00905	2.2
89.02467	2.1
95.01399	5.1
98.22660	1.3
99.00891	7.2
103.00407	2.5
110.00101	4.4
113.02459	29.1
115.00387	1.7
117.01943	2.6
129.01953	1.7
136.98814	1.7
137.99570	0.8
163.00389	1.8
165.99054	4.6
175.02480	5.7
195.85536	0.6
199.04031	1.1
200.04787	1.8
208.20547	0.6
211.04097	1.0
212.04909	1.0
214.02695	0.6
227.03499	2.3
228.04260	1.8
239.03485	1.9
240.04076	0.9
255.03011	2.5
256.03717	1.7
283.02496	3.8
284.03278	100.0
285.03629	4.7
299.05615	79.6
300.05887	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	475.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
59.01383	9.4
69.85261	4.2
71.01394	6.5
72.99334	1.7
75.00872	1.5
82.00625	3.2
85.02966	15.4
87.00870	2.5
95.01408	5.4
99.00860	6.8
103.00424	2.0
110.00117	23.2
111.62486	1.3
113.02456	23.3
115.00399	1.5
132.74341	1.6
137.99596	10.5
165.99092	16.8
171.67021	1.2
175.02502	4.2
212.04759	4.4
214.02702	2.5
225.72249	1.5
284.03305	89.2
285.03632	6.5
299.05637	100.0
300.05942	7.2
306.78931	1.5
485.98434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03437	1.2
59.01387	4.6
65.00331	0.6
71.01392	4.2
72.99310	0.6
73.02907	0.3
75.00870	1.7
79.20293	0.3
82.00602	1.2
83.01427	0.5
84.51735	0.3
85.02956	7.2
85.38841	0.3
86.43786	0.3
87.00890	1.3
89.02480	0.6
94.99671	0.3
95.01398	2.8
96.96002	0.7
99.00896	2.8
103.00379	1.3
110.00103	12.3
111.00912	0.4
113.02468	13.8
115.00388	1.0
117.01952	0.9
125.02460	0.8
129.01936	0.7
137.99615	5.2
139.00410	0.4
164.01173	0.9
165.99083	11.0
175.02492	3.5
183.04607	0.5
187.03996	0.9
190.99956	0.6
198.03191	0.4
200.04825	1.1
201.05482	0.4
211.04033	0.8
212.04741	1.9
214.02710	1.7
227.03528	1.0
227.07201	0.5
239.03432	0.5
240.04260	1.3
255.02766	0.4
256.03586	0.5
267.03009	0.9
271.05637	0.4
283.02545	1.0
284.03290	33.5
285.03568	2.5
298.04352	0.3
299.05618	100.0
300.05960	6.3
452.86102	0.4
475.08560	3.7
476.09073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.5
57.03447	1.2
59.01383	4.5
65.00063	0.3
65.00368	0.9
67.01927	0.4
68.99850	0.4
70.52000	0.2
71.01390	4.5
72.99346	0.6
73.02998	0.3
73.08049	0.2
75.00874	2.0
78.64066	0.2
82.00609	1.4
83.01427	0.4
85.02956	7.4
87.00880	1.4
89.02506	0.8
89.75744	0.2
95.01402	2.3
98.22659	0.9
99.00888	3.1
103.00401	1.3
110.00105	13.9
111.00999	0.4
113.02458	11.4
115.00436	0.8
117.02007	0.9
123.00932	0.4
125.02495	0.5
129.01987	0.6
136.98830	0.3
137.99590	6.0
139.00397	0.5
153.21750	0.3
158.15047	0.3
160.94098	0.2
163.00407	0.6
164.01276	0.8
165.99084	11.9
166.99500	0.3
175.02487	3.8
175.03911	0.4
183.04576	0.4
187.04102	0.7
188.04871	0.4
190.99968	0.3
195.04453	0.3
196.05411	0.3
200.04807	1.3
201.05603	0.3
211.04109	0.8
212.04826	1.9
214.02759	1.7
224.04997	0.2
225.02042	0.5
227.03539	1.2
227.07089	0.5
228.04195	0.5
239.03680	0.4
240.04361	1.5
255.03009	0.4
255.06497	0.3
256.03693	0.6
267.03180	0.7
269.04663	0.5
283.02576	1.0
284.03284	38.3
285.03699	3.5
297.04416	0.3
299.05615	100.0
300.05963	7.3
318.84012	0.3
475.08725	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	475.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03437	1.2
59.01387	4.6
65.00331	0.6
71.01392	4.2
72.99310	0.6
73.02907	0.3
75.00870	1.7
79.20293	0.3
82.00602	1.2
83.01427	0.5
84.51735	0.3
85.02956	7.2
85.38841	0.3
86.43786	0.3
87.00890	1.3
89.02480	0.6
94.99671	0.3
95.01398	2.8
96.96002	0.7
99.00896	2.8
103.00379	1.3
110.00103	12.3
111.00912	0.4
113.02468	13.8
115.00388	1.0
117.01952	0.9
125.02460	0.8
129.01936	0.7
137.99615	5.2
139.00410	0.4
164.01173	0.9
165.99083	11.0
175.02492	3.5
183.04607	0.5
187.03996	0.9
190.99956	0.6
198.03191	0.4
200.04825	1.1
201.05482	0.4
211.04033	0.8
212.04741	1.9
214.02710	1.7
227.03528	1.0
227.07201	0.5
239.03432	0.5
240.04260	1.3
255.02766	0.4
256.03586	0.5
267.03009	0.9
271.05637	0.4
283.02545	1.0
284.03290	33.5
285.03568	2.5
298.04352	0.3
299.05618	100.0
300.05960	6.3
452.86102	0.4
475.08560	3.7
476.09073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62916	0.2
59.01384	2.7
69.31708	0.7
71.01399	0.4
83.93092	0.3
84.93876	1.2
94.88853	0.2
99.00909	0.6
99.92597	10.1
100.92685	0.4
100.93371	11.9
101.93399	0.6
103.00380	0.8
107.74892	0.2
114.93503	0.2
114.94928	0.3
115.92092	14.3
116.92873	100.0
117.92886	4.3
117.93633	0.4
121.47984	0.3
124.93410	0.2
126.95030	0.2
140.92873	0.9
141.93666	0.6
142.94434	1.2
156.92383	0.6
158.93970	0.6
167.95259	0.4
169.93181	0.3
170.93904	0.3
173.92641	0.5
183.01253	0.8
184.91869	1.2
184.95525	0.3
196.95482	0.4
259.96286	0.3
271.06570	0.3
295.13846	0.3
297.76111	0.2
313.14865	0.4
345.96545	0.2
353.06982	0.7
356.38602	0.2
371.07977	2.7
372.08435	0.3
389.09174	3.0
390.09116	0.3
401.09296	0.6
413.09186	1.3
431.10248	3.3
432.10480	0.5
439.07086	0.8
458.34064	0.2
475.09225	6.7
475.19821	2.9
476.09238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89346	0.2
52.73250	0.2
55.01884	0.5
57.03456	1.7
59.01384	7.8
65.00332	1.9
66.01105	0.3
67.01886	0.4
68.99824	1.1
69.26243	0.8
71.00968	0.3
71.01387	6.5
72.99331	1.3
73.02961	0.6
75.00880	2.7
82.00607	3.3
83.01385	0.4
84.02206	0.3
85.02959	13.2
86.03292	0.3
87.00880	2.4
89.02448	1.5
94.00586	0.3
95.00846	0.1
95.01399	4.1
99.00888	5.2
100.01388	0.2
101.02492	0.2
103.00378	2.0
106.00604	0.2
109.79283	0.2
110.00108	25.5
111.00404	0.3
113.02463	21.0
114.02807	0.7
115.00374	0.9
117.01947	1.6
117.03503	0.8
120.02192	0.4
122.00110	0.3
124.01686	0.4
129.01949	1.0
133.02954	0.3
135.00992	0.3
135.53587	0.2
136.98810	1.8
137.02524	0.4
137.99606	10.9
139.00111	0.3
143.04999	0.3
146.03749	0.4
149.99582	0.3
152.01189	0.5
154.04236	0.4
157.01483	0.3
158.03737	0.4
159.04495	0.2
161.02486	0.8
163.00410	1.1
164.01161	1.6
164.98334	1.9
165.99092	20.7
166.99423	0.6
167.04988	0.4
170.03749	0.3
175.02495	4.2
178.99881	0.4
180.00717	0.3
183.04523	1.6
184.05251	0.2
185.02457	1.2
187.04010	1.5
188.04803	0.8
190.99883	0.6
198.03381	0.2
199.04012	0.3
200.04820	1.8
211.04028	1.9
212.04807	3.5
213.01984	0.5
213.05191	0.2
214.02736	3.5
215.03256	0.3
226.02763	0.6
227.03493	1.9
228.04269	0.9
239.03540	1.1
240.04114	0.5
241.04395	0.2
253.89172	0.2
255.03000	3.9
256.03806	0.7
267.02933	1.5
268.03421	0.5
268.53610	0.2
269.04318	0.7
271.06171	0.4
282.99246	0.4
283.02512	16.0
284.03284	100.0
285.03638	7.1
296.02951	0.2
297.04080	1.4
297.07559	0.4
298.04846	18.2
299.05615	87.5
300.05960	6.4
311.05615	0.4
313.07211	14.8
314.07526	1.1
317.89883	0.2
355.08215	0.5
475.12485	4.9
476.12894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.7
59.01385	47.2
65.00330	1.4
71.01391	5.1
71.41753	0.8
73.02953	1.1
80.28786	0.7
83.01398	0.8
85.02943	6.0
87.00917	1.0
89.02414	0.8
91.01945	0.7
93.03494	1.3
95.01403	1.7
99.00856	1.8
101.02439	2.1
103.00385	0.8
107.01418	1.1
108.02209	2.2
109.02958	6.5
110.00137	1.6
113.02450	7.6
117.03513	1.9
118.04228	1.3
119.05039	100.0
119.27614	0.8
120.05357	3.0
123.04511	2.4
125.02474	1.0
128.03622	0.9
133.47343	0.7
136.98836	1.2
145.02927	3.4
149.02464	0.7
151.00441	2.9
151.04025	0.8
152.01143	2.2
153.01945	15.6
160.01640	2.2
163.00354	1.8
163.04022	54.5
164.04355	1.5
165.99051	1.3
167.03520	9.9
175.02573	1.3
175.04018	1.6
177.01936	0.8
177.05598	7.0
200.04669	0.8
227.03493	0.7
249.34254	0.7
283.02621	2.5
284.03296	24.9
285.03781	2.2
296.05429	0.7
297.06244	17.5
299.02304	1.1
299.05600	21.0
300.06036	0.8
311.07758	27.1
312.08087	1.6
313.07126	1.1
353.23260	2.7
354.23755	1.5
387.22092	1.0
435.69150	0.8
474.25323	2.1
475.12518	18.6
475.24951	3.3
476.12646	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69748	0.7
59.01290	14.7
59.01622	3.0
59.42814	0.8
65.00229	3.3
69.71652	2.1
71.01305	2.0
85.02851	1.9
86.23257	0.7
89.02360	1.0
93.03350	0.8
95.01336	1.0
98.22702	0.8
101.02344	1.2
111.00813	1.2
111.87854	0.8
113.02464	4.1
117.03375	2.9
120.37899	0.7
124.01549	1.9
125.02393	1.2
136.98819	14.1
139.00252	2.2
143.04907	1.0
145.05025	0.8
152.01041	2.6
153.01848	1.1
154.04135	1.9
161.02271	1.2
163.00334	1.6
164.97079	1.0
164.98293	9.9
167.03464	0.9
167.04872	1.2
175.02348	1.5
178.99872	0.9
180.00549	2.5
182.03664	0.8
183.04515	7.0
185.02386	2.7
195.04507	1.2
198.03197	1.1
211.04086	3.3
212.04504	0.9
225.05460	1.2
226.02710	3.8
227.03418	2.6
227.07089	0.7
228.04305	1.1
239.03581	1.1
243.06602	6.0
253.05133	1.0
254.02213	1.2
255.03023	20.1
256.03473	1.9
269.04526	4.6
270.05054	0.8
271.06128	19.1
272.06488	1.3
276.58298	0.7
283.02502	92.0
284.03186	19.7
285.03949	4.2
296.03079	1.1
297.04080	12.2
298.04837	100.0
299.05573	31.9
300.06110	2.2
311.05441	1.1
313.07199	79.5
314.07443	5.4
355.08340	2.2
475.12766	28.4
475.19397	2.1
475.26126	0.9
476.12997	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	475.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
65.00327	3.3
66.01118	0.5
67.01889	0.6
68.99821	0.4
69.37588	1.1
71.01402	0.3
72.99318	0.3
82.00612	2.9
83.01386	0.5
91.05496	0.2
95.01402	1.9
96.99312	0.7
99.00901	0.4
108.02193	0.9
109.03000	0.5
110.00109	22.8
111.00907	3.2
115.27296	0.3
123.00906	3.1
124.01676	7.5
136.01680	2.9
136.98840	3.7
137.02420	1.8
137.99606	6.8
139.00392	6.1
151.00438	0.4
152.01170	7.1
153.01944	0.5
157.06625	1.7
157.07809	0.3
164.98297	1.1
165.07053	0.4
165.99089	19.5
166.99886	4.3
169.06668	0.5
171.08200	1.2
173.06114	1.9
178.99907	1.8
180.00639	0.8
181.06618	1.1
183.08195	0.3
185.06100	2.1
193.01405	1.2
197.06126	0.8
199.07706	1.4
201.05609	1.0
209.06114	1.1
212.06525	0.3
213.05611	0.9
214.06369	1.4
225.05545	5.1
225.07750	0.4
227.07153	3.2
229.05035	0.7
241.05135	0.5
242.05713	1.5
243.06624	35.2
244.06979	1.8
253.05072	8.0
253.55484	0.3
254.05640	0.8
255.06656	0.3
269.04568	2.3
270.05350	15.9
271.06131	100.0
272.06512	4.4
283.06195	0.7
284.03290	0.6
299.05695	0.3
309.07700	0.5
313.07321	0.9
325.07315	0.3
367.18991	0.3
395.55243	0.3
402.23599	0.3
409.25974	0.3
415.10336	3.0
433.11545	1.3
475.12482	75.9
476.12753	6.6
486.97412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59788	0.2
57.03465	0.3
59.01382	5.8
59.63296	0.2
60.01733	0.3
61.01817	0.2
63.02402	3.5
65.00331	10.8
68.99821	0.3
69.12965	1.6
71.01395	0.4
76.93475	0.2
80.03076	0.2
81.03446	0.3
83.01391	7.6
85.02930	0.2
93.03466	4.8
95.01379	0.4
96.91573	0.2
97.02914	0.2
107.01401	16.7
108.01706	0.4
109.02982	0.4
113.02503	0.8
117.03477	1.5
119.05038	34.0
120.05385	0.8
121.02988	0.7
125.02451	3.9
133.02957	0.4
137.02467	1.0
143.05037	1.5
145.02966	5.6
146.03349	0.2
149.02470	0.7
151.00385	57.3
152.00719	1.4
157.06552	0.4
160.01720	0.6
161.06107	1.4
163.00386	0.3
164.01169	0.5
165.01955	5.1
169.01454	2.7
175.03986	0.3
177.01935	4.6
183.08093	0.3
185.06105	2.9
187.04033	3.1
188.04407	0.2
193.01413	0.8
209.06116	0.2
227.07152	3.8
228.07559	0.2
229.05058	0.3
253.05127	0.4
269.04453	0.6
271.06134	100.0
272.06500	6.6
284.03302	1.7
285.03955	0.7
299.05505	1.4
313.07095	0.4
355.06714	4.7
356.06918	0.3
475.12384	5.8
476.12604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1247
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
56.14361	0.1
57.03445	0.4
59.01383	3.9
63.02401	3.5
63.61194	0.1
65.00329	10.6
65.03976	0.1
66.00644	0.1
67.01906	0.2
68.99839	0.1
69.49286	0.4
71.01384	1.1
73.02947	0.4
81.03466	0.5
83.01393	7.9
85.02943	0.5
86.14413	0.1
87.00882	0.1
89.02460	0.4
92.51944	0.1
93.02870	0.2
93.03466	4.9
95.01382	0.2
97.02988	0.1
98.21888	0.1
101.02452	0.6
107.01400	18.0
108.01746	0.3
108.99348	0.2
109.02966	0.3
113.02454	0.3
117.03473	1.2
119.05038	35.7
120.05367	1.1
121.02960	0.8
123.41206	0.1
125.02464	3.5
133.02971	0.6
136.01627	0.2
137.02473	0.7
143.05026	1.2
145.02971	4.5
147.04604	0.1
149.02492	0.6
151.00383	62.6
152.00723	1.6
153.01987	0.2
156.05870	0.2
157.06606	0.5
160.01794	0.1
161.04594	0.3
161.06090	0.9
163.04016	0.4
164.01126	0.3
165.01944	5.6
166.02313	0.2
167.03470	0.1
169.01431	3.2
171.04518	0.1
175.00336	0.2
177.01938	5.0
178.02309	0.1
179.03535	0.2
181.06653	0.2
181.60934	0.1
182.07285	0.1
183.08208	0.1
184.05295	0.3
185.06091	2.8
187.04008	2.7
188.04570	0.2
193.01399	0.7
199.07643	0.4
203.07193	0.3
205.01471	0.1
207.02930	0.2
209.06129	0.3
227.07156	3.5
228.07423	0.2
229.05043	0.4
253.05055	0.7
267.06635	0.3
269.04550	0.5
271.06128	100.0
272.06479	5.9
295.05978	0.3
299.01974	0.2
313.07422	0.8
355.06726	5.0
356.06979	0.4
411.70432	0.1
415.23022	0.3
433.24432	0.4
433.52985	0.1
460.08765	0.1
475.12485	8.3
476.12750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	15.1
59.93549	2.4
62.11380	2.1
65.00323	8.8
67.01887	2.2
71.01397	4.5
71.11473	2.2
71.39983	2.8
73.24583	2.7
82.00617	9.1
85.02957	13.2
95.01404	6.8
96.95994	2.4
99.00912	2.9
100.93396	4.2
101.02404	2.9
103.06962	2.4
110.00110	69.3
111.00895	7.5
113.02460	15.8
115.92063	5.1
116.92874	27.2
123.00857	5.4
124.01672	6.5
133.03017	2.6
136.01608	2.1
136.98801	7.5
137.02502	3.7
137.90688	2.0
137.99608	19.5
139.00383	9.1
151.00409	2.9
152.01170	8.4
164.98315	4.9
165.06693	2.2
165.99095	61.6
166.99791	10.2
167.04955	2.0
178.99869	5.9
180.00597	2.7
189.04031	3.9
225.05589	9.1
226.02777	2.6
227.03516	2.8
242.05769	4.1
243.06664	30.6
253.05064	13.9
255.02948	5.5
267.06876	3.2
269.04575	15.1
269.07162	2.0
270.05331	68.7
270.08191	3.7
271.06140	100.0
272.06491	7.3
283.02536	19.7
284.03253	29.7
285.07697	93.5
286.07959	5.6
298.04846	22.7
299.01959	17.2
299.05618	50.1
313.07248	19.7
341.75723	2.3
415.10281	6.3
433.11279	5.2
475.12720	75.1
475.19553	8.4
476.12549	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	475.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78070	0.5
59.01377	4.5
65.00327	4.4
66.01114	0.6
68.99804	0.7
69.23849	1.6
69.24256	1.8
71.01376	1.0
72.99310	0.9
76.74380	0.5
82.00606	5.5
83.01408	0.6
85.02967	0.7
87.00873	0.5
95.01410	3.5
96.99297	0.8
97.02966	1.4
98.22666	0.9
104.59765	0.5
106.19598	0.5
107.01359	0.6
108.02168	1.0
108.57247	0.5
109.02959	1.0
110.00108	45.3
111.00916	5.7
122.00047	0.6
123.00893	6.7
124.01670	7.5
135.00912	1.7
136.01691	2.8
136.98828	5.8
137.02440	1.2
137.99605	12.3
139.00414	7.5
147.50287	0.5
151.00391	1.9
152.01167	7.9
152.98346	0.5
153.01950	1.0
157.06604	1.6
163.00388	1.5
164.98300	2.0
165.07118	1.2
165.99084	42.4
166.99834	5.8
169.06595	1.5
171.04572	0.8
171.08186	1.4
173.06082	2.0
178.99886	3.2
180.00647	0.9
181.06618	2.0
183.04552	0.6
185.06108	1.8
193.01436	1.3
197.06091	1.7
199.07693	0.8
201.05618	2.1
209.06061	2.6
213.05630	1.7
214.06407	1.5
215.07152	0.6
218.69673	0.7
225.05608	9.3
226.05988	0.9
227.07188	2.8
229.05051	3.4
242.05794	2.6
243.06636	30.9
244.06999	2.1
253.05074	14.5
254.05441	0.9
267.06683	1.3
269.04562	4.2
270.05331	25.1
271.06125	94.2
272.06409	5.4
283.02386	1.5
283.06058	0.9
284.03339	2.4
298.04819	2.1
299.02136	1.2
299.05615	2.1
313.07257	1.3
371.06186	2.2
415.10361	8.2
416.10928	1.0
433.11310	1.7
475.12473	100.0
476.12744	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	475.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87569	0.6
59.01385	52.1
63.57201	0.6
64.13567	0.5
65.00318	0.8
67.71110	0.7
71.01388	5.5
73.02967	1.5
73.36277	0.6
79.87413	0.6
85.02968	4.7
87.00881	1.5
89.02441	1.3
91.01900	0.9
93.03480	1.0
95.01405	1.4
99.00886	1.6
101.02448	3.0
107.01408	2.4
108.02182	2.4
109.02963	8.3
111.00860	0.7
113.02472	7.0
117.03490	1.9
118.04304	1.2
119.05042	100.0
120.05386	3.5
123.04565	3.8
125.02487	0.9
126.33512	0.6
136.98831	1.1
143.03571	0.7
145.02960	2.3
151.00410	2.6
151.04109	0.7
152.01143	2.5
153.01968	14.5
160.01651	0.6
163.00369	1.7
163.04030	53.0
164.04359	1.5
164.98375	0.8
165.99057	1.1
166.02751	1.3
167.03526	9.9
175.02614	0.8
175.04041	1.3
177.05583	7.4
195.03119	0.8
209.04446	0.7
212.04649	0.6
227.03435	0.8
255.02969	0.8
269.06876	1.1
271.06015	0.8
283.02512	1.5
284.03275	22.4
285.03958	1.4
296.05301	1.3
297.06186	19.8
299.02301	0.8
299.05634	18.3
300.06030	1.2
311.07761	26.9
312.08334	1.0
328.51627	0.7
353.23587	1.5
354.23682	1.9
387.21527	0.7
443.10028	1.3
474.25797	1.6
475.12509	19.4
475.25110	2.0
476.12436	1.4
482.83167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
58.99608	21.1
59.01385	20.3
65.00330	5.6
71.01389	20.3
71.41365	2.8
73.02953	6.1
83.01398	3.0
85.02946	12.2
87.00880	26.0
89.02444	7.3
92.03123	1.9
95.01405	3.7
99.00899	2.1
101.02441	11.8
102.98605	97.1
110.00113	3.0
113.02464	17.6
116.74633	1.7
117.54269	1.7
119.03494	1.6
119.05024	2.3
119.78735	1.6
133.02983	4.9
136.98828	3.9
138.03192	3.0
139.00421	3.0
161.02460	13.8
161.04533	10.6
162.03062	1.6
164.98279	2.0
165.99103	3.0
175.03932	2.3
176.04756	2.2
177.05600	12.5
179.01814	1.8
179.40500	1.7
183.04439	2.2
194.00502	1.6
195.01277	5.1
199.04044	3.5
202.03783	1.8
205.07050	2.0
209.02780	14.0
210.03644	9.6
211.03987	2.6
225.05930	31.0
227.03526	3.8
239.03537	1.8
249.06206	14.9
271.02347	3.5
271.06171	2.2
283.04953	100.0
284.05463	3.2
285.04068	61.7
286.04208	3.2
299.02023	39.9
299.05457	4.3
300.02615	5.3
354.31491	1.6
395.00842	3.2
475.12115	3.1
495.22241	1.7
502.86478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
58.99608	21.1
59.01385	20.3
65.00330	5.6
71.01389	20.3
71.41365	2.8
73.02953	6.1
83.01398	3.0
85.02946	12.2
87.00880	26.0
89.02444	7.3
92.03123	1.9
95.01405	3.7
99.00899	2.1
101.02441	11.8
102.98605	97.1
110.00113	3.0
113.02464	17.6
116.74633	1.7
117.54269	1.7
119.03494	1.6
119.05024	2.3
119.78735	1.6
133.02983	4.9
136.98828	3.9
138.03192	3.0
139.00421	3.0
161.02460	13.8
161.04533	10.6
162.03062	1.6
164.98279	2.0
165.99103	3.0
175.03932	2.3
176.04756	2.2
177.05600	12.5
179.01814	1.8
179.40500	1.7
183.04439	2.2
194.00502	1.6
195.01277	5.1
199.04044	3.5
202.03783	1.8
205.07050	2.0
209.02780	14.0
210.03644	9.6
211.03987	2.6
225.05930	31.0
227.03526	3.8
239.03537	1.8
249.06206	14.9
271.02347	3.5
271.06171	2.2
283.04953	100.0
284.05463	3.2
285.04068	61.7
286.04208	3.2
299.02023	39.9
299.05457	4.3
300.02615	5.3
354.31491	1.6
395.00842	3.2
475.12115	3.1
495.22241	1.7
502.86478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.8
59.41504	0.5
65.00329	18.8
68.99815	0.9
69.79532	1.2
82.00623	0.5
84.69324	0.4
90.89695	0.5
92.99825	3.9
96.99323	4.1
108.99326	1.0
109.02954	0.5
110.00099	6.0
110.30579	0.5
111.00929	0.7
120.99348	2.5
124.01678	2.8
136.98820	14.5
137.99561	1.5
145.06645	3.1
149.99596	0.9
152.01144	1.7
153.07141	0.6
164.98303	37.5
165.99089	4.0
169.06564	1.6
171.04526	2.2
173.06085	1.8
177.99063	2.2
178.99876	0.5
181.06633	1.8
193.06650	1.5
197.06102	1.6
199.03989	2.5
201.05626	1.1
213.05585	1.0
221.06148	1.1
223.07722	0.7
225.05449	2.3
227.03508	1.4
239.07135	1.5
241.05115	11.8
242.05678	0.6
243.06660	6.3
244.07060	0.9
265.05084	1.5
267.06708	2.6
269.04568	100.0
270.05045	9.5
271.06128	0.5
293.04697	0.7
304.24872	0.5
368.23462	0.5
369.11203	1.2
371.12708	1.0
397.10919	3.2
415.11905	21.1
416.12363	2.5
475.13873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06480	0.5
59.01386	12.4
65.00330	17.4
68.99812	0.5
77.65397	0.4
81.92116	0.5
82.00620	1.0
86.49971	0.5
92.99823	4.0
93.03463	0.6
95.01380	0.6
96.99323	4.6
98.22614	1.2
108.99336	1.1
109.02938	0.5
110.00105	7.0
111.00887	0.9
113.02493	0.6
120.99329	2.3
124.01693	3.6
135.00873	1.1
136.00444	0.5
136.97816	0.7
136.98825	14.6
137.99622	1.4
143.04974	0.6
145.06584	2.2
149.99617	0.8
152.01170	1.4
153.07086	0.5
157.06580	0.8
160.33940	0.6
163.00349	0.6
164.98302	38.9
165.99136	4.7
169.06586	1.5
171.04510	2.5
171.08147	1.1
173.06062	2.7
177.99071	1.9
180.07121	0.6
181.06602	2.3
183.62265	0.5
193.06522	0.6
197.06120	2.1
199.04062	3.2
201.05586	1.3
205.06575	0.7
213.05608	1.5
221.06114	1.7
223.07719	0.5
225.05588	2.8
227.03468	1.1
239.07167	2.1
241.05109	8.9
243.06607	8.8
265.05106	1.7
265.08868	0.6
267.06650	3.3
269.04559	100.0
270.05054	9.2
271.06042	1.0
272.06488	0.8
273.06491	0.7
284.03305	1.3
293.04388	0.5
299.01944	1.4
299.05573	1.6
315.90555	0.5
353.11621	0.6
369.11469	1.0
371.12766	2.1
397.10861	4.1
398.11514	0.5
400.15750	0.5
415.11902	25.6
416.12320	2.6
475.13693	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38614	1.0
58.26398	0.9
59.01381	8.7
65.00325	9.8
68.42727	0.9
68.99818	1.3
69.28681	5.1
83.01392	1.3
85.02927	1.0
92.99809	1.1
95.01393	1.2
96.99300	1.3
97.11704	0.9
101.78788	0.9
110.00108	4.6
111.00916	4.7
111.99326	0.9
113.02483	2.2
124.01638	1.1
128.29776	0.9
131.05067	1.2
134.83716	0.9
136.98808	11.7
137.99591	1.9
145.06598	3.3
152.78700	1.1
157.06622	1.5
163.00386	1.2
164.98361	6.1
165.00223	0.9
165.99055	4.1
169.06618	3.6
171.04550	10.4
173.06099	12.5
181.06427	1.3
197.06140	1.1
199.04083	2.3
201.05685	1.0
213.05612	1.7
224.04659	1.2
225.05560	2.8
227.03482	1.1
239.07204	1.8
241.05089	43.1
242.05394	4.0
243.06638	38.6
243.09161	2.2
244.06958	1.8
266.05734	1.6
267.06635	1.2
268.06326	1.2
269.04559	100.0
270.04990	9.4
270.07565	1.5
271.05872	3.0
272.06290	2.7
273.06683	1.8
284.03278	5.1
299.01968	5.9
299.05646	3.2
329.12122	1.3
353.11609	1.7
369.11389	1.8
371.12933	2.0
373.11249	1.1
397.10867	6.3
415.11929	31.5
416.12204	3.3
457.16492	1.5
475.18115	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	475.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.5
61.98816	1.7
69.88040	0.7
69.88363	2.0
71.01386	17.9
72.01724	0.7
73.02953	7.7
83.01408	2.2
85.02953	6.6
87.00848	0.9
89.02447	4.9
95.01393	2.1
97.02969	0.9
99.00887	6.8
101.02459	8.8
111.00885	0.7
113.02457	10.4
119.03504	1.1
121.02937	2.2
123.00006	1.4
123.00901	22.3
124.01678	84.8
125.01961	1.2
125.02534	0.6
131.03456	0.8
132.02216	1.6
133.02975	19.6
134.03618	0.8
135.04538	7.8
137.02490	0.8
138.03249	15.3
139.04030	100.0
140.04349	2.5
143.03540	0.9
149.02443	1.4
151.06154	1.3
159.02983	0.9
161.02463	63.5
161.04430	6.8
162.02747	1.9
167.03448	0.8
179.03523	7.0
181.05113	2.6
191.05571	0.8
193.05128	1.1
203.03989	0.8
203.05563	4.1
223.06221	1.2
225.29050	0.8
251.05598	0.8
281.06668	1.9
283.08148	2.2
288.39041	0.7
301.09390	5.4
302.09756	0.9
343.10416	15.3
360.28491	0.7
415.12387	0.8
433.13531	27.8
434.13956	2.5
475.14594	65.0
476.15063	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.9
65.00340	0.5
71.01391	4.8
73.02956	0.7
79.95746	0.6
84.74885	0.4
85.02967	1.2
87.00892	0.4
89.02447	4.7
91.01917	0.5
94.03554	0.3
97.42968	0.4
101.02441	3.3
111.00906	0.4
113.02451	2.2
117.03486	1.0
119.03519	1.2
123.04530	2.0
123.18064	0.4
132.02191	1.2
133.02971	29.6
134.03767	0.8
135.04539	13.0
136.04834	0.5
143.03497	0.4
149.06123	0.5
151.06122	2.1
161.02460	100.0
162.02792	3.7
163.06131	0.6
164.98323	1.0
167.03506	6.8
177.05594	1.5
178.02715	0.5
179.03505	10.9
180.03969	0.5
185.02483	0.4
199.04074	0.4
203.03564	0.4
213.02025	0.7
221.04556	2.2
227.03596	0.9
251.05682	1.1
264.56268	0.4
267.99979	0.3
271.02579	0.6
272.63950	0.3
279.97290	0.3
281.06635	2.1
296.85480	0.4
299.02045	4.3
300.02597	1.0
313.11868	0.4
315.05109	0.8
341.08722	1.1
395.00748	0.9
475.14584	70.3
476.14905	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	475.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03448	1.5
59.01386	28.3
61.98848	1.2
65.00319	1.3
71.01395	10.1
72.99295	1.6
73.02950	2.6
74.51615	1.1
81.03469	1.9
83.01388	3.3
85.02962	7.1
87.00871	1.8
89.02457	2.9
90.40896	1.0
91.01891	9.3
95.01379	2.3
96.99320	1.2
97.02997	1.1
101.02450	13.0
107.01399	2.7
108.02167	7.7
109.02966	2.4
110.94080	1.5
111.00890	1.3
112.93806	1.1
113.02477	4.6
117.03477	1.1
119.03513	1.5
123.00911	1.4
123.04547	37.9
124.01643	1.3
124.04884	2.0
125.02454	1.1
135.04611	0.9
146.03769	8.5
151.00397	3.5
152.01183	8.2
153.01924	3.3
155.69641	1.0
160.00711	1.0
161.04681	1.7
161.06129	2.9
163.06140	7.6
164.04776	5.8
166.02684	1.3
167.03514	100.0
168.03836	4.4
177.01961	1.1
179.07146	20.0
194.02242	1.0
209.04623	3.9
251.05461	1.2
269.06726	0.9
311.07773	3.5
475.14627	88.1
476.14981	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.11258	1.0
57.03444	4.8
58.00587	1.1
58.70453	0.9
59.01381	61.5
69.52322	3.3
69.52695	1.7
71.01383	52.0
72.99310	1.2
73.02953	4.1
83.01353	1.4
85.02953	45.1
85.03471	2.2
85.97968	0.9
87.00877	2.1
89.02451	28.4
90.02829	1.1
95.01396	14.7
101.02451	12.3
103.04029	2.1
113.02454	100.0
114.02804	2.7
119.03520	7.5
119.20258	1.0
131.03485	1.4
134.03735	9.8
137.06065	1.4
143.03505	3.2
149.06094	6.6
152.04796	1.5
161.04543	13.3
163.06079	1.8
164.98198	1.1
167.07176	1.3
179.05618	1.2
188.44208	0.9
192.51506	0.9
215.50644	0.9
279.07684	1.0
299.01923	4.2
311.11612	1.9
329.12601	7.6
464.23279	1.1
475.18210	32.4
476.18466	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	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	49.7
61.98840	1.8
66.25224	1.3
69.81600	2.3
71.01411	5.5
73.02993	1.2
74.02524	1.1
82.95377	1.6
85.02953	4.3
89.02445	2.7
95.61396	1.3
101.02420	2.5
101.35478	1.1
111.00832	1.2
113.02467	3.9
117.03489	1.4
119.05029	2.4
123.04574	1.4
126.35847	1.4
128.03542	2.6
135.04538	1.4
138.01942	1.5
145.02983	1.4
146.03754	32.5
147.04422	1.3
151.81837	1.2
155.41660	1.2
161.04723	2.1
161.06093	11.9
164.04816	25.0
164.98325	1.4
167.03490	4.3
179.07153	100.0
180.03493	1.4
180.07474	3.7
226.02583	1.1
299.02237	1.5
337.07532	1.4
358.41696	1.3
398.61905	1.3
475.14188	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.8
61.98835	1.4
71.01393	2.3
71.44041	0.6
73.02953	0.9
78.01129	0.4
79.95770	1.3
83.01405	0.6
84.94992	0.5
85.02951	1.3
87.00897	0.7
88.72758	0.5
89.02460	0.8
101.02462	1.2
113.02470	1.4
117.03448	0.9
119.05037	1.4
126.41167	0.5
133.02959	1.2
135.04518	1.7
136.79257	0.4
136.98822	0.8
145.58846	0.5
149.02452	0.6
161.04591	0.5
163.00307	0.5
176.06110	0.5
183.01222	28.5
184.01999	2.9
195.13969	0.8
197.02808	5.9
198.03577	2.3
199.04027	1.0
209.11841	0.7
211.04413	1.4
212.05142	0.6
216.01050	0.7
225.05850	0.8
239.07545	0.8
253.08861	0.7
254.02173	1.5
255.02969	1.2
269.04559	3.0
283.02502	5.2
284.03201	1.7
285.04181	0.9
295.06216	1.2
295.10541	0.8
295.13724	12.5
296.14099	1.0
297.04071	7.4
298.04773	5.5
299.02054	1.0
299.05283	1.1
313.07196	12.6
313.14813	12.1
313.18527	0.6
314.07376	0.8
314.15274	0.8
340.02133	0.8
376.10452	0.5
430.75052	0.5
448.18210	0.6
460.10397	1.1
475.20090	100.0
476.14001	0.7
476.20361	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	475.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.6
70.09325	11.4
71.01405	21.3
78.95932	21.6
120.96919	5.4
124.04813	4.6
154.81929	3.8
163.87914	4.7
170.58623	5.3
183.01218	9.9
205.49040	5.0
272.24753	4.8
275.07483	4.5
277.21759	78.7
278.22079	8.6
279.23306	100.0
280.23645	6.9
311.16888	13.9
319.22714	7.7
323.90359	4.3
325.18396	11.9
364.89944	4.5
475.25058	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23942	30.1
55.81427	30.3
56.27393	29.1
63.10796	33.7
69.92112	100.0
97.26304	29.4
115.29737	32.2
158.03380	30.9
214.76997	40.0
218.88734	34.3
277.21689	99.6
311.16965	78.5
325.18106	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46636	5.0
59.01374	7.0
69.11334	32.4
71.01392	12.0
74.12790	6.3
79.46429	4.4
81.52972	5.1
98.21835	9.9
121.02984	11.0
143.57198	4.8
183.01192	6.5
195.13611	6.2
277.21747	100.0
279.23422	29.6
311.16745	13.4
319.22873	16.6
364.90634	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02026	0.5
52.25000	0.4
52.66185	0.5
55.01887	1.8
56.80122	0.6
57.03445	1.4
59.01384	100.0
61.98837	3.2
63.02403	2.6
64.00982	0.5
65.00330	9.2
69.03386	2.8
69.03784	0.9
71.01386	22.6
72.01718	0.7
73.02951	9.8
75.00871	0.8
81.03497	1.3
82.95428	0.6
83.01395	10.6
83.05049	1.1
85.02954	6.1
87.00893	2.6
87.04549	0.9
89.02454	14.9
93.03461	4.0
95.01414	2.5
96.96011	0.5
97.02955	0.6
98.02499	2.1
98.06155	0.7
99.00881	2.1
99.04543	1.1
101.02452	16.6
107.01398	15.2
108.04602	1.4
109.02991	1.1
111.00903	0.7
112.01730	0.6
113.02460	11.4
117.03459	1.7
119.03601	6.0
119.05035	31.8
119.93397	0.5
120.05391	0.7
121.02950	1.0
124.04069	0.9
125.02468	4.6
126.05652	1.3
129.04218	0.6
129.24814	0.6
131.03494	0.9
133.02959	1.6
135.04599	0.7
143.03471	2.5
143.05106	0.9
145.02968	3.8
151.00385	49.3
152.00766	1.6
152.03571	1.1
155.07127	0.7
159.02982	0.7
161.02524	0.8
161.04585	4.9
161.05981	1.0
165.01958	5.1
167.03459	1.4
169.01425	3.2
170.04555	0.7
175.04109	0.8
177.01962	3.9
178.99907	0.6
179.05623	3.4
185.06029	2.7
186.02322	0.8
187.04036	2.0
193.01395	1.0
196.02582	4.7
199.07671	0.6
202.01831	0.8
209.11897	2.8
211.03835	0.6
214.03444	0.5
227.07144	2.1
227.12802	0.9
248.02235	1.2
269.04608	0.6
270.01978	0.8
271.06134	77.9
272.06491	5.6
283.02716	0.6
284.03189	0.8
299.02087	0.8
300.02728	0.9
313.07172	1.8
315.18262	1.8
337.20059	0.6
355.06754	4.0
369.09866	1.0
379.21170	1.4
415.23492	5.2
416.23709	0.7
433.24545	6.3
475.12546	5.8
475.22000	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11622	33.0
70.11987	31.7
71.01379	21.2
72.88151	15.4
75.00831	19.9
92.62581	16.0
113.02443	22.8
121.03003	100.0
173.95816	16.2
198.54637	20.9
277.21637	92.0
284.03186	27.3
311.17038	37.0
319.22705	36.5
349.24060	18.1
374.55383	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	476.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34552	1.3
59.01385	14.0
61.98835	100.0
71.01379	3.1
73.02959	1.3
75.00867	1.7
98.22628	3.0
108.56248	1.3
113.02440	2.6
114.34783	1.4
114.40119	1.3
114.40924	1.3
117.03495	2.0
119.04967	2.2
135.04501	1.5
159.81296	1.3
207.06564	1.3
212.15337	1.3
272.19638	1.3
284.03082	1.8
285.03632	3.5
300.05905	1.8
301.03629	7.6
301.06677	1.7
413.12393	12.4
433.24405	1.7
448.87762	1.2
475.25464	4.5
476.19940	4.2
476.25937	6.2
477.07291	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	476.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.7
61.98835	100.0
65.00321	0.8
67.52951	0.7
69.21162	4.3
71.01408	1.3
85.02947	1.1
99.00909	0.9
101.02449	0.9
105.90630	0.8
110.00102	1.0
111.00869	1.2
113.02446	1.3
117.03493	2.4
119.05022	1.4
123.00944	1.0
135.04556	1.8
136.98857	1.0
137.02423	0.9
139.00397	1.9
143.05116	0.8
145.03008	1.2
153.05559	0.9
155.03516	3.4
161.02457	2.1
165.99150	3.8
166.99866	1.8
181.01430	5.3
182.02245	6.3
187.07652	6.0
197.04553	2.3
201.05592	1.2
202.06383	2.9
215.07170	4.5
231.10333	2.2
257.04483	1.0
285.03851	2.5
297.04028	1.0
300.06146	1.6
301.03473	2.9
323.05527	5.2
369.09796	5.8
395.11130	2.0
413.12552	10.0
447.07050	1.8
477.11990	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	476.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89433	0.6
59.01385	6.8
61.98837	100.0
64.50377	0.8
71.01401	1.2
101.02446	0.7
110.00105	0.8
111.00893	1.0
116.92870	2.1
117.53690	0.7
133.03044	1.1
135.04561	1.3
139.00346	0.7
140.01143	0.8
149.02422	1.0
155.03517	1.4
165.99097	1.7
181.01416	2.5
182.02220	2.8
187.07642	2.7
197.04527	1.6
208.03807	1.5
209.11813	2.4
215.07022	1.2
231.10663	0.8
231.15985	1.3
301.03452	2.5
321.83359	0.8
369.09644	1.7
413.12445	3.5
465.11078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98835	61.6
70.83678	54.2
80.81741	35.9
94.78577	34.0
125.27520	31.8
143.04785	32.0
192.25858	32.9
200.29564	33.7
235.41132	32.3
326.60037	35.7
433.22424	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	78.2
61.98838	82.3
65.20346	21.8
69.91621	36.2
69.91949	45.4
72.43219	21.6
73.26096	21.6
75.84322	20.9
78.95922	70.1
80.14373	22.1
87.04531	48.4
92.25668	20.5
96.96013	23.9
98.22539	29.6
99.38938	22.7
117.05597	100.0
117.06331	22.3
122.52743	34.0
315.19678	77.8
333.20877	45.1
370.56293	24.2
416.59430	27.5
477.16049	43.1
477.24374	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2787
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.64803	0.4
57.57393	0.3
59.01372	0.8
61.04760	0.3
69.37581	1.8
78.95912	7.5
87.04510	0.5
96.60786	0.3
98.21825	0.7
101.74091	0.3
104.77951	0.3
107.65158	0.3
133.59355	0.3
140.01213	2.1
152.99611	0.9
154.36176	0.3
196.03859	1.3
214.04855	2.9
229.93295	0.3
261.22177	0.7
279.23315	100.0
280.23685	8.1
426.92755	0.4
439.77658	0.4
476.27881	8.6
477.28159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17703	0.5
59.01411	0.6
72.33292	0.5
78.95915	31.7
96.96973	1.0
98.21881	0.5
106.70014	0.5
122.00150	1.0
140.01212	5.4
152.99673	3.0
171.00682	2.0
185.38422	0.5
196.03839	11.0
214.04942	3.1
261.22296	0.6
271.80038	0.4
279.23325	100.0
280.23657	7.6
298.81702	0.5
466.18900	0.6
476.27826	30.2
477.28488	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	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05445	0.6
70.44566	1.3
78.95913	100.0
96.96961	8.4
106.25541	0.6
152.99608	16.0
171.00668	17.8
237.08766	0.6
279.23376	2.6
293.21188	0.7
349.20404	0.5
353.05545	0.6
375.60980	0.6
402.24203	1.3
424.35257	0.8
476.27878	54.3
477.28033	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	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
65.00340	1.1
67.01887	0.5
69.50456	2.1
69.50862	1.0
71.01400	1.9
83.01410	0.7
85.02955	1.7
87.00857	0.7
95.01410	1.7
99.00898	1.0
110.00112	1.0
111.00903	11.2
112.77335	0.5
113.02464	2.5
123.00922	1.4
133.03003	0.8
135.04539	3.9
136.98813	2.1
139.00394	10.6
149.02422	0.7
151.00346	2.0
153.83499	0.6
159.04488	1.1
161.02461	0.9
164.98277	1.3
165.99077	0.9
166.99852	3.9
177.01942	0.8
178.99805	0.6
187.04027	1.4
192.00706	0.8
193.01530	1.1
211.04027	1.8
215.03520	1.4
233.04524	0.7
239.03651	2.0
241.01479	0.9
255.03012	1.2
283.02487	0.8
299.02127	0.8
300.02701	0.8
301.03580	100.0
302.03943	5.8
381.25372	0.6
477.06805	10.9
478.07196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01386	4.8
62.33405	0.4
65.00342	1.2
66.84079	0.4
67.01901	0.7
68.99825	0.4
69.44697	0.9
69.45082	0.9
71.01389	3.7
72.99318	0.5
75.00883	1.3
83.01405	1.5
85.02958	5.6
87.00897	0.6
89.02444	0.5
95.01399	3.7
98.22707	0.4
99.00890	2.4
101.02486	0.4
103.00426	0.4
109.02977	0.5
110.00132	0.8
111.00895	14.9
112.01261	0.6
113.02470	8.0
114.02741	0.5
117.01940	0.5
121.02874	0.5
121.45308	0.4
123.00919	3.5
125.02442	1.1
133.02986	1.5
134.03738	0.9
135.04556	4.6
136.98813	1.7
137.02403	1.0
139.00389	14.8
140.00795	0.5
143.05031	0.6
149.02478	1.0
151.00394	1.7
158.03798	0.6
159.04506	1.2
161.02463	1.1
164.98318	1.6
165.01967	0.8
165.99091	0.6
166.99890	7.9
171.04582	0.7
172.81259	0.4
173.02423	0.4
175.02515	1.3
175.03966	0.4
177.01978	2.2
178.99913	0.6
183.04546	0.9
185.02483	0.5
185.06096	0.9
187.04015	2.4
192.00720	0.7
193.01486	0.4
195.04655	0.6
201.01991	1.0
201.05595	1.8
203.03650	0.6
209.53653	0.5
211.01962	0.3
211.03940	2.4
212.04796	0.4
213.05507	0.5
215.03572	1.7
227.03485	1.4
229.05057	1.3
233.04564	1.0
239.03545	1.9
255.03058	1.3
257.04602	0.7
259.02533	0.6
273.03964	0.7
283.02432	2.3
298.37662	0.5
299.33792	0.4
301.03561	100.0
302.03934	7.3
332.42801	0.4
341.19461	0.4
343.04611	0.9
373.05731	0.6
419.42227	0.5
477.06744	1.2
477.18759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23475	0.4
59.01374	1.5
59.77854	0.4
65.00324	1.2
68.99822	0.7
69.43784	0.5
69.86767	1.0
71.01385	1.3
75.00864	0.8
79.95735	3.4
82.26534	0.5
85.02961	2.0
95.01395	2.2
96.99281	0.6
99.00896	1.0
100.74750	0.5
107.01422	0.5
108.02194	0.5
110.00123	1.5
111.00165	0.9
111.00896	13.9
113.02477	2.6
120.99242	0.4
123.00894	1.9
124.51308	0.5
125.02459	1.0
128.60739	0.5
134.03722	0.7
135.04530	4.9
136.98828	2.0
139.00394	13.1
145.03021	0.6
151.00380	2.9
153.02007	0.6
159.04488	0.7
161.02451	0.6
164.05853	0.8
164.98322	2.7
165.01912	1.1
165.99084	1.6
166.99902	3.6
167.03596	0.5
177.01985	1.1
178.99843	0.8
183.04549	0.9
185.02576	0.7
185.06082	0.6
187.04007	1.3
189.05539	0.6
189.48877	1.0
192.00671	1.2
193.01443	1.0
195.04529	0.8
201.05566	1.2
211.04028	1.7
214.02837	0.5
215.03529	1.3
227.03505	1.4
229.05112	0.6
236.97878	1.4
237.97673	0.6
239.03426	2.3
241.01619	0.7
255.03021	1.4
257.04703	0.6
259.02414	0.5
273.03976	0.6
283.02432	1.2
299.02045	1.6
300.02777	4.0
301.03561	100.0
302.03906	9.2
314.04193	0.5
315.05157	5.5
316.05554	1.7
317.05597	1.3
357.92947	0.4
395.00870	3.9
396.01065	1.0
397.00940	3.5
477.06830	3.6
477.13199	0.7
478.07529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
59.01387	2.0
61.06834	0.1
65.00352	0.7
67.01901	0.2
69.39490	0.4
69.39882	0.3
71.01390	1.4
72.99343	0.2
73.02948	0.3
75.00885	0.5
83.01437	0.4
85.02959	2.8
87.00903	0.7
89.02477	0.2
95.01382	0.8
96.99365	0.2
98.21925	0.3
99.00926	0.7
101.02482	0.3
108.02207	0.4
109.02981	1.2
109.27952	0.1
110.00114	0.2
111.00895	1.0
113.02468	1.7
115.00420	0.2
119.05057	0.4
123.00896	0.5
124.98801	0.2
133.02962	7.4
134.03333	0.3
135.04544	2.9
136.01706	0.2
136.98793	0.8
137.02441	3.2
137.03506	0.2
139.00389	2.6
143.05054	0.2
159.04605	0.3
161.02435	0.4
163.00403	0.6
164.01184	0.4
164.98250	1.2
165.01933	2.6
165.99091	0.5
166.99911	1.9
167.05032	0.3
168.27876	0.2
168.89783	0.2
173.06122	0.3
175.02531	0.6
175.04039	0.8
177.01999	0.2
178.68912	0.1
183.04517	0.3
185.06215	0.4
187.04025	0.5
190.99908	0.4
192.00641	1.0
193.01308	0.2
195.04564	0.2
198.03058	0.2
199.04065	0.4
201.01949	0.7
201.05588	0.8
203.03549	0.4
211.04004	0.7
212.04590	0.2
213.02017	0.2
213.05540	0.2
214.02742	0.3
215.03537	0.5
216.04314	0.3
227.03551	0.9
227.11794	0.2
228.03897	0.2
229.05069	1.0
231.03000	0.3
233.04550	0.3
239.03551	0.6
241.01450	0.2
243.03082	0.3
245.04555	0.5
255.03012	2.1
256.03558	0.3
257.04562	0.3
271.02530	0.4
272.03098	0.3
273.04031	0.6
283.02502	0.7
284.03192	0.6
285.03857	0.3
286.03940	0.2
299.02145	0.8
299.05087	0.2
300.02792	2.2
300.05948	0.3
301.03549	100.0
302.03903	6.5
302.07373	0.2
314.04480	0.3
315.05054	0.4
371.04160	0.3
477.06668	12.2
477.22800	0.9
478.06995	1.3
502.18228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
65.00334	0.9
68.96822	0.6
69.37284	0.7
69.95406	1.6
71.01379	1.2
75.00871	0.7
83.01391	0.8
84.55077	0.6
85.02966	2.2
87.00880	1.4
95.01390	1.4
108.43521	0.6
111.00883	9.7
113.02458	2.8
123.00896	1.8
135.04503	3.6
136.98778	1.6
137.02470	0.9
139.00386	10.9
151.00346	1.4
159.04503	1.4
161.02504	0.8
164.98221	1.5
165.99155	1.0
166.99913	3.5
175.02567	0.9
177.01938	0.7
187.04002	1.3
192.00626	1.6
193.01413	1.2
201.05615	0.8
211.04028	1.8
215.03517	1.4
229.04993	0.8
233.04546	0.7
239.03508	3.1
255.02965	1.2
283.02466	2.1
299.02081	0.9
300.02615	1.5
301.03546	100.0
302.03949	7.6
373.38113	0.7
477.06723	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	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01189	2.0
59.01527	3.6
65.00110	0.4
65.00482	0.8
71.01111	0.8
71.01556	1.7
72.99444	0.5
73.02724	0.2
73.03064	0.4
75.00635	0.3
75.01028	0.5
76.27967	0.2
81.90161	0.3
82.03117	0.3
83.01512	0.2
85.03146	1.6
86.02670	0.7
87.00571	0.3
87.01037	0.4
89.02648	0.8
95.01588	0.9
98.02653	0.3
99.01100	0.9
101.02056	0.2
101.02639	0.6
103.00519	0.3
108.04704	0.4
109.03165	1.0
110.00261	0.3
110.94273	0.5
111.01076	1.0
111.08336	0.4
112.94014	0.3
113.01805	0.5
113.02656	1.9
119.03708	0.3
119.05160	0.3
120.00687	0.3
120.01465	0.8
121.03112	0.4
121.79112	0.2
123.01094	0.6
127.05294	0.2
127.09006	1.1
128.02725	0.9
128.03763	8.2
129.02145	0.3
131.21347	0.2
133.03192	3.8
135.04752	3.5
136.99031	1.4
137.02670	1.6
139.00592	2.1
143.05219	0.3
151.04155	0.3
152.03696	0.4
153.06879	0.5
154.10352	0.2
159.04703	0.4
161.02567	0.3
163.00522	0.4
164.98367	1.4
165.02151	1.3
165.99271	0.7
166.99854	1.4
171.04732	0.4
171.07764	2.7
173.06230	0.5
175.02718	0.4
175.04144	0.4
180.67067	0.2
183.04738	0.9
185.06259	0.6
187.04199	0.8
189.02138	0.3
191.00021	0.5
192.00842	1.0
196.02678	0.6
199.04010	1.4
200.04924	0.4
201.02203	0.7
201.05621	1.9
203.03639	0.6
204.92485	1.0
206.92094	0.6
207.01381	0.7
209.11821	1.1
211.04053	1.3
213.02113	0.3
214.02893	0.4
215.03670	0.7
215.06873	0.5
227.03526	2.2
227.12843	0.3
228.04379	0.4
229.05177	0.9
230.02290	0.3
231.04752	0.6
237.02068	0.7
239.03630	0.5
243.03038	0.5
245.04553	0.5
249.05525	5.7
250.05916	0.3
255.03015	3.1
256.03671	0.4
257.04587	0.5
263.13245	1.1
271.02573	0.7
272.03247	0.3
273.04050	0.8
283.02588	1.3
299.01971	2.0
300.00232	0.2
300.02777	8.2
301.03561	100.0
302.03912	6.2
315.05072	1.0
343.04462	0.3
359.90680	0.3
426.50824	0.2
434.08545	0.4
477.06262	18.3
477.23376	2.9
478.06543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93153	0.4
57.03440	0.8
59.01387	7.9
61.98829	1.0
65.00327	1.6
68.99829	0.7
69.80225	1.0
69.80614	1.0
70.54477	0.4
71.01397	3.3
73.02954	1.3
75.00885	1.0
76.91161	0.4
83.01400	0.6
85.02960	5.2
86.32571	0.5
87.00902	1.2
89.02467	1.0
93.03477	1.0
95.01408	1.8
99.00885	2.1
101.02457	1.0
103.00398	0.9
109.02974	1.4
110.00113	4.2
111.00915	0.9
113.02464	10.2
113.03335	0.5
113.03627	0.6
117.01929	0.5
119.05050	3.0
123.00871	0.7
124.01692	0.5
125.02409	0.4
133.02962	6.7
135.04546	2.4
136.01715	0.6
136.98831	1.8
137.02454	3.5
137.99623	1.0
139.00394	4.4
139.04082	0.6
148.05475	0.4
152.01181	0.8
153.01871	0.5
160.01700	0.4
163.00380	1.0
164.01125	0.7
164.98340	1.7
165.01949	2.9
165.05592	0.6
165.99117	5.6
166.99872	4.3
167.03450	0.6
175.02504	2.8
175.04027	1.7
180.00659	1.7
181.01476	1.4
183.04607	0.7
190.99867	0.8
192.00691	0.9
201.01941	1.1
202.02745	0.5
203.03526	0.6
211.04164	0.7
227.03551	1.3
229.05038	1.0
232.48624	0.5
239.03648	0.6
255.03090	3.0
257.04626	0.8
271.02484	0.6
283.02518	1.4
286.04889	6.0
299.02045	1.2
299.97665	0.5
300.02762	13.7
301.03604	100.0
301.07129	12.2
302.03958	6.4
302.07227	0.8
311.07864	1.4
315.05164	12.2
316.05432	1.1
408.40640	0.5
429.24976	0.5
477.06595	13.6
477.13419	1.1
477.23648	1.6
478.06882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
61.98836	100.0
63.10843	0.4
66.42613	0.3
70.68752	0.6
75.65756	0.4
81.03336	2.5
82.03659	0.5
100.55483	0.4
112.08556	0.4
164.03568	0.5
167.03609	0.5
205.02890	0.6
207.02577	9.4
207.04472	0.6
208.02922	8.1
252.02953	0.9
253.03392	0.8
254.02644	13.1
255.02950	11.7
477.16544	0.5
487.66104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41539	0.7
59.01387	5.9
61.98833	1.9
64.39079	0.7
65.00323	2.5
67.01904	1.4
67.75694	0.8
69.45834	1.4
69.46227	1.9
71.01373	2.0
72.99292	0.9
73.02972	0.7
75.19090	0.8
77.48410	0.9
78.60815	0.8
83.01403	2.6
85.02949	3.3
87.00868	1.2
88.26578	0.7
89.02458	0.9
93.03458	2.3
95.01406	3.8
99.00905	1.4
108.02164	1.2
109.02946	1.7
111.00871	4.9
113.02453	4.3
119.05038	21.4
120.01313	1.0
120.05397	1.0
121.02909	0.7
123.00887	3.1
124.01657	2.0
124.03940	0.8
124.87461	0.7
125.02439	1.1
128.03551	1.7
133.02959	0.9
135.04466	1.1
136.98805	5.5
137.02493	1.6
139.00392	17.2
141.01881	1.2
149.02400	1.1
151.00404	2.5
152.01216	1.5
153.01955	27.7
153.97090	0.7
154.02237	0.8
157.06618	1.0
159.04453	1.0
161.02451	0.9
164.98288	1.8
166.99876	21.3
168.00200	0.8
169.01346	1.0
173.02386	1.0
174.03154	1.3
175.03975	1.1
181.01445	14.3
182.01755	1.0
187.04018	1.4
189.04102	1.1
193.01427	2.8
201.01953	2.3
201.05688	0.7
202.02693	1.3
203.03545	4.3
211.04028	1.1
213.01970	2.9
214.02715	1.4
227.03542	3.8
229.01443	12.8
229.05064	2.0
230.02164	7.9
231.02997	16.0
239.03677	0.9
241.05106	1.4
243.06747	1.0
245.04643	1.1
249.05432	0.8
255.02995	9.8
257.00928	3.2
257.04562	6.3
258.01645	2.2
259.06085	3.9
269.04611	3.6
271.02518	2.6
271.05527	0.7
272.03293	12.8
273.04065	29.2
283.02512	8.5
284.02921	1.5
285.04507	0.9
287.05634	100.0
288.05960	5.9
300.02832	0.9
301.03571	23.1
302.03766	1.5
306.68417	0.7
319.70078	0.9
417.08243	0.9
435.09628	1.5
477.10687	21.4
477.23883	2.7
478.10571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.5
61.93854	1.9
63.01336	1.9
69.72691	6.9
71.01392	11.6
72.40002	1.7
72.99313	2.4
75.00884	4.8
75.06081	1.8
78.33176	1.7
82.00597	5.4
85.02959	26.6
87.00890	5.2
89.02430	1.6
95.01403	10.5
98.22576	4.0
99.00877	10.4
103.00373	3.9
110.00103	24.2
113.02460	57.4
117.01955	2.6
119.05050	17.1
123.00912	3.6
124.01625	3.6
129.01994	3.1
129.55717	1.8
131.13359	2.0
136.98816	3.8
137.99622	10.1
139.00383	7.4
143.49472	1.8
152.01196	4.0
165.99098	36.0
166.99881	14.5
175.02490	16.1
178.99863	2.3
180.00703	8.7
181.01411	11.4
286.04849	54.5
287.05240	5.0
301.03793	4.4
301.07172	100.0
302.07501	6.3
383.66519	2.3
397.58356	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	Dihydrokaempferide 3-glucuronide
Peak:m/z	Relative Intensity
51.72159	2.4
57.03441	3.6
59.01390	18.9
65.00372	2.1
67.01897	2.0
69.05701	14.6
71.01392	14.9
75.00867	6.4
82.00600	3.9
85.02956	26.4
87.00883	3.3
89.02481	2.4
95.01409	10.7
99.00909	10.5
103.00373	4.9
110.00111	27.5
111.00890	4.1
113.02466	61.7
119.05044	17.7
123.00957	2.0
129.01924	2.3
136.98785	3.3
137.02472	2.1
137.99635	10.1
139.00378	9.1
152.01144	4.5
160.65521	2.1
165.99091	35.3
166.00452	1.8
166.99818	12.8
175.02513	24.3
180.00685	7.2
181.01454	14.4
192.00616	2.1
286.01852	3.7
286.04880	51.8
287.05194	4.2
300.02631	2.6
301.03650	7.5
301.07178	100.0
302.07468	6.7
315.05051	2.9
343.73026	2.4
458.14453	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46684	0.7
55.01866	0.9
55.19640	0.6
57.03448	3.2
59.01385	17.5
63.33566	0.8
65.00327	3.3
67.01875	0.8
68.99835	0.9
70.14974	1.9
71.01388	10.4
72.99312	2.9
73.02954	1.2
73.98280	0.7
75.00900	4.6
82.00611	5.6
83.01379	1.4
85.02954	20.6
86.03314	0.7
87.00891	4.9
89.02451	1.5
93.03484	1.6
93.74906	0.6
95.01388	8.8
98.21989	0.8
99.00892	7.1
103.00381	3.0
109.02983	0.7
109.27426	0.7
110.00105	24.0
111.00886	2.7
113.02464	37.7
113.96432	0.9
114.02763	0.9
115.00368	2.2
115.70099	0.7
117.01961	1.7
119.05037	17.0
120.99648	1.5
123.00900	1.6
124.01677	3.6
124.47809	0.7
125.99599	1.5
127.41082	0.7
129.01984	1.4
132.99686	1.0
133.02969	1.4
136.98814	2.8
137.02463	3.2
137.99614	7.6
139.00386	9.0
140.01190	1.0
145.03032	1.0
151.00639	2.0
152.01149	4.6
155.03532	0.8
155.60970	0.7
165.99088	29.8
166.99881	17.2
168.00217	0.9
175.02496	10.3
178.99927	1.0
180.00661	7.3
181.01440	16.8
187.03931	1.0
192.00632	2.1
193.01459	0.7
195.03091	0.9
211.04074	1.1
229.05026	1.9
230.05891	1.9
257.08258	0.8
258.05283	1.7
258.07739	0.7
264.46988	0.8
277.21719	2.5
286.04840	52.0
287.05215	3.7
301.03537	28.8
301.07175	100.0
302.03702	2.2
302.07489	6.9
315.05222	1.1
325.23795	1.4
477.06125	4.4
477.25275	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	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61847	0.5
55.01884	1.2
56.72355	0.5
57.03465	3.7
59.01385	16.6
59.19041	0.4
61.73846	0.5
65.00314	2.6
66.01116	0.4
67.01900	0.7
68.99831	1.9
69.08167	2.2
71.01388	13.0
72.67165	0.4
72.99308	2.5
73.02962	1.4
75.00882	7.4
79.95746	0.5
82.00613	4.4
83.01392	1.0
84.02179	0.7
85.02959	29.6
86.03255	0.4
87.00886	4.0
89.02451	2.3
93.03468	3.0
94.00635	0.6
95.01397	11.6
98.21919	1.0
99.00890	10.2
103.00381	5.3
109.02950	0.4
109.99499	0.3
110.00103	25.7
111.00916	3.7
113.02460	63.9
114.02769	0.7
115.00382	2.4
117.01953	3.4
118.60026	0.4
119.05038	17.2
120.05348	0.6
122.00103	0.6
123.00907	1.6
124.01670	4.2
124.98848	0.4
125.99546	0.6
129.01949	1.9
131.40434	0.4
135.04553	0.6
136.01585	0.5
136.98795	2.6
137.02458	2.3
137.99605	9.4
139.00389	9.1
140.01108	0.7
145.02902	0.8
151.00424	1.3
152.01170	4.6
155.03474	0.8
157.01440	1.3
159.11929	0.4
161.02408	0.7
164.98250	0.7
165.99084	36.5
166.99872	15.7
171.04532	0.4
175.02487	19.5
176.02954	0.5
177.01996	0.9
178.99867	0.8
180.00655	8.5
181.01437	13.3
182.01772	0.5
185.06055	0.9
192.00648	1.4
193.01408	1.1
202.06476	0.6
207.02966	0.8
229.05048	1.8
230.05907	2.2
235.98898	0.5
258.05350	1.8
268.03806	0.5
286.04852	57.3
287.05206	3.8
301.03561	17.4
301.07123	100.0
302.03821	1.6
302.07526	7.2
477.10950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26486	0.7
52.85109	0.6
59.01123	0.9
59.01386	13.1
61.98811	1.9
65.00309	1.1
71.01372	3.0
74.10789	0.8
75.00846	0.6
83.01385	1.0
85.02943	1.5
85.38612	0.6
89.02445	1.8
101.02454	1.6
111.00858	0.8
113.02460	1.3
115.22931	0.7
119.05032	1.4
125.02425	0.6
127.08814	0.7
127.10207	0.7
128.03537	7.1
133.02925	1.4
135.04562	1.5
136.98801	0.7
145.02962	1.1
146.03740	1.9
147.04396	0.7
153.06619	0.7
159.04510	1.6
161.02446	0.7
167.03516	0.6
169.87971	0.6
171.07817	1.8
173.02440	2.1
174.03224	3.1
175.04030	5.6
178.02730	0.8
185.02431	2.8
187.04092	0.8
189.05650	0.8
191.03496	1.0
199.03978	0.9
201.01978	10.6
202.02707	4.9
203.03499	14.4
203.05255	1.1
212.09561	1.3
213.01949	13.5
214.02780	3.3
215.03522	1.7
216.04260	1.7
226.02792	2.1
227.03502	8.9
227.11993	0.8
228.04117	1.4
229.01431	51.4
230.02190	30.8
231.02988	54.8
232.03481	1.5
241.01456	0.8
243.03001	2.1
244.03777	1.7
245.04550	3.5
249.05637	3.5
254.99384	0.9
255.00218	1.2
255.02968	10.6
256.03677	1.2
257.00934	13.3
257.04044	0.7
257.04636	0.6
258.01660	11.6
269.00986	0.8
269.04572	1.1
271.02515	7.2
271.10886	1.9
272.03278	42.8
273.04062	100.0
274.04388	5.4
283.02441	1.0
285.03741	0.8
287.05627	0.9
297.00415	1.2
300.02844	0.9
301.03528	5.3
313.11780	0.7
375.07187	0.8
417.08405	3.8
435.09286	2.2
477.10449	70.3
477.23087	5.4
478.10678	7.1
495.24356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70446	0.3
59.01384	3.4
71.01409	0.6
71.41072	0.3
72.80694	0.3
73.02930	0.5
75.00861	0.2
84.93869	1.2
85.02942	0.3
86.66107	0.2
99.00882	1.1
99.92593	9.9
100.92688	0.6
100.93374	9.8
101.93424	0.3
102.97466	0.2
103.00355	0.6
113.02494	0.3
114.93448	0.4
115.92088	14.2
116.92872	100.0
117.92899	4.0
117.93665	0.5
119.05029	0.3
131.94852	0.3
140.92851	0.5
141.93672	0.4
142.94432	0.9
156.92345	0.7
158.93945	0.5
161.30789	0.3
174.93457	0.3
183.94756	0.4
184.91843	1.7
184.95531	0.3
186.93359	0.3
196.95563	0.3
197.12209	0.3
224.95030	0.3
259.96246	0.3
273.07639	0.3
297.07977	0.4
301.03568	1.8
301.06534	0.4
321.33096	0.3
345.96588	0.4
349.98373	0.3
355.08505	0.8
373.09592	3.5
374.10229	0.6
391.10715	3.0
403.10638	0.8
415.10922	1.6
417.28149	0.3
423.76633	0.3
433.11667	4.2
433.58633	0.3
434.12350	0.5
441.08530	1.3
477.10718	8.9
477.26035	0.4
477.63132	0.3
478.11032	1.3
504.42233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.5
64.07975	1.2
65.00327	18.5
66.85268	1.3
69.03472	3.0
69.19395	7.7
71.01347	1.5
85.02961	1.4
92.99812	3.2
96.99314	5.4
111.00897	2.0
113.02451	3.8
120.99333	3.0
131.05029	4.6
136.98795	14.6
139.00371	3.7
141.01959	3.9
149.99591	1.8
164.98311	40.7
165.05515	2.2
165.98920	2.3
171.04486	2.2
173.06038	2.1
175.03949	1.6
177.99030	3.2
197.06082	1.8
199.03989	3.7
201.05586	2.7
225.05644	3.6
239.07060	2.4
241.02826	1.5
241.05077	6.1
265.05011	2.6
267.06656	4.4
269.04578	100.0
270.04916	6.3
270.07629	1.6
293.04523	5.3
301.03586	21.1
301.06857	2.9
311.05582	7.0
434.60638	1.5
475.95343	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	16.6
65.00344	27.9
67.01891	4.1
68.99818	5.6
69.03456	5.2
69.08263	23.8
73.02947	6.8
75.00883	7.8
81.03463	68.9
83.01382	11.1
88.98802	9.9
92.99821	5.6
96.99379	6.5
101.02427	7.3
114.04758	9.6
115.05557	8.5
124.01634	4.3
127.05612	5.4
129.07143	5.8
131.05052	55.2
135.00885	5.4
136.98830	19.9
141.03511	6.3
143.05034	4.4
145.01407	6.1
145.06625	7.9
147.04504	19.8
157.01392	6.4
157.06580	7.5
164.98332	30.6
165.05542	7.6
165.07117	5.6
167.03574	6.0
167.05043	6.9
171.04536	7.9
173.06122	20.3
175.03992	15.6
179.08588	4.8
181.06526	11.6
183.04568	7.0
185.04349	3.7
185.06004	4.3
187.04042	6.6
187.07608	12.4
195.03041	6.6
195.08089	4.6
197.06033	9.1
199.07562	4.3
201.05627	22.8
201.49843	3.6
207.08171	8.7
208.05348	5.4
209.06105	11.5
223.07668	21.2
224.04866	6.3
225.05559	12.7
231.02992	4.7
231.06630	17.3
239.07024	14.0
241.05132	22.0
241.08669	11.9
243.06686	8.9
245.04451	7.3
245.08032	5.8
246.85207	4.2
249.05481	3.8
251.07109	15.7
252.04144	5.2
253.04987	9.8
253.08714	15.4
254.05672	6.2
265.05194	5.0
267.06723	20.2
267.90305	4.0
269.04523	55.7
270.04913	19.6
271.05231	13.4
273.07614	5.2
283.06537	5.2
283.09753	100.0
284.09988	4.9
285.07617	8.0
293.04507	7.0
295.06110	24.4
301.03754	8.2
301.07117	13.0
311.05573	9.7
311.10889	7.0
316.19406	4.3
320.20520	4.7
327.08725	29.1
329.11801	19.7
339.10556	5.3
345.11169	6.4
357.11279	4.5
371.13031	10.6
373.10635	12.4
383.08917	5.1
387.12299	11.5
405.13617	5.4
415.11908	11.0
417.12537	5.9
477.11819	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	477.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91622	1.3
59.01376	13.6
65.00331	4.0
69.03083	2.4
69.03461	43.4
69.13860	9.6
83.01389	10.4
95.01418	9.4
109.02962	4.0
111.00892	4.3
113.02436	6.7
116.45480	1.7
127.05561	2.2
135.00905	4.8
136.98830	5.0
137.02435	5.6
139.00327	2.7
141.07047	1.5
145.06615	4.8
153.07140	1.9
153.60400	1.3
157.01443	36.9
157.06607	4.4
163.00403	11.8
165.05614	15.1
167.08606	1.6
169.06598	3.4
171.04553	12.0
171.08214	1.9
173.06070	7.8
176.01192	2.9
181.06602	3.3
193.06525	3.4
195.08177	4.7
197.06125	4.6
197.09743	2.5
199.07672	2.9
211.07642	1.8
221.06114	7.9
223.07715	13.2
224.04828	2.8
225.05600	5.3
237.05666	1.9
239.07147	27.4
241.05118	11.7
241.08650	7.1
243.06650	13.2
249.05702	1.7
265.05069	31.0
265.07709	2.3
266.05478	2.2
267.06638	74.0
268.06964	4.2
269.04584	17.2
276.03406	1.5
285.07834	3.4
293.04587	85.2
294.04843	3.4
301.03589	4.4
311.05630	100.0
312.05927	4.0
329.06793	10.9
357.31348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00998	1.6
54.26009	2.2
59.01380	14.2
61.92915	1.7
65.00338	3.4
68.99810	1.5
69.03462	41.5
69.19864	11.2
83.01389	8.8
85.90154	1.7
90.57076	1.6
95.01399	7.0
98.22631	3.9
113.02474	8.1
115.37650	1.8
127.05556	2.0
135.00917	6.8
136.98795	6.3
137.02496	5.0
139.00401	2.4
141.38037	1.7
145.06610	4.1
157.01448	30.4
157.06609	5.7
163.00385	15.2
165.05591	14.4
169.06615	3.7
171.04507	10.4
171.08171	3.2
173.06090	7.9
176.01154	2.1
181.06596	5.7
193.06590	3.7
195.08215	5.8
197.06099	5.4
197.09709	3.8
199.07710	3.5
201.27374	1.8
209.32770	1.8
221.06129	5.0
223.07654	11.4
224.04755	2.0
225.05580	5.0
237.05588	2.2
239.07127	29.0
241.05092	14.9
241.08766	6.8
243.06641	13.7
265.05106	34.0
267.06628	69.1
268.06985	4.0
269.04572	17.4
285.07678	6.5
293.04599	79.5
294.04858	2.6
311.05655	100.0
312.05981	6.7
329.06696	10.7
450.72580	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09610	0.5
55.01873	0.5
57.03408	0.5
59.01385	12.4
63.02380	0.5
65.00325	1.4
67.01881	0.6
69.06921	2.6
69.07330	0.9
70.03006	0.6
71.01025	0.7
71.01385	9.0
73.02941	2.2
75.00887	0.5
77.72391	0.5
81.03423	1.1
83.01416	1.3
85.02959	3.2
89.02451	6.4
91.01894	6.9
95.01393	1.4
97.02946	0.6
98.21861	0.8
101.02460	5.6
103.04044	0.6
107.01405	1.4
108.02178	8.8
109.02956	2.6
110.94086	1.9
111.00890	2.7
113.02461	1.6
119.03506	1.7
121.02979	1.1
123.00900	1.2
123.04534	33.1
124.01612	0.6
124.04832	0.8
125.02456	0.9
130.15598	0.6
135.04526	0.8
135.75179	0.5
139.00404	2.8
143.03522	0.8
147.06628	1.2
151.00391	4.7
152.01161	9.0
152.92998	0.6
153.01941	2.7
153.05533	0.7
163.00317	0.6
164.98279	0.8
165.07681	5.2
166.02719	5.9
167.03505	100.0
168.03871	2.9
181.05075	6.0
194.02184	4.5
195.02913	1.5
197.04585	2.6
204.92346	3.1
209.04565	32.8
209.30972	0.5
210.04933	1.5
227.03345	0.5
231.03075	0.8
239.05630	4.2
251.05487	0.8
255.02800	0.6
269.03946	0.8
269.06689	9.1
270.07016	0.6
273.04108	2.9
273.06686	0.5
296.05334	0.9
301.03522	2.2
309.11841	1.5
311.07733	3.6
329.08762	0.8
477.16190	61.9
478.16547	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	477.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
58.00601	0.8
59.01388	16.5
61.98825	0.8
65.00321	1.8
67.01879	0.6
68.99821	0.9
69.27283	1.1
69.27685	2.0
71.01384	9.9
72.77020	0.7
72.99937	0.6
73.02927	2.3
81.03458	1.0
83.01395	2.9
85.02958	5.5
85.92242	0.6
87.00887	1.6
89.00315	1.1
89.02447	5.2
91.01895	1.6
93.03467	0.7
95.01401	2.5
96.96017	1.5
97.02922	0.7
99.00874	1.7
101.02452	5.3
106.00608	1.9
107.01376	1.0
108.02140	0.9
108.92295	0.6
109.02942	1.7
110.00068	0.8
111.00888	7.1
113.02480	4.5
119.03517	1.1
121.02972	32.1
122.00104	1.0
123.00890	7.8
123.04530	5.8
123.43675	0.7
125.02476	1.0
127.00387	1.7
135.04550	3.9
135.05424	0.5
135.06659	4.1
136.27209	0.6
136.98795	2.3
137.02458	8.5
138.03226	7.8
139.00385	8.5
139.04053	2.4
141.01987	0.8
151.00327	1.2
152.01129	1.5
153.01968	1.3
153.05583	32.3
155.03517	1.2
161.04330	0.6
163.00369	1.9
164.98346	3.1
165.07735	1.6
166.02724	1.9
166.99863	2.7
167.03513	15.9
168.00610	0.6
168.03937	0.9
169.01372	0.7
181.01440	6.3
181.05013	1.3
182.02226	7.9
183.03012	5.2
194.02174	1.0
196.03796	2.6
197.04559	95.5
198.04906	3.7
209.04565	8.0
211.06021	3.5
215.03516	1.2
224.03223	3.7
225.03929	1.7
229.01735	0.7
239.05635	22.2
240.05914	0.9
269.06714	4.4
273.04092	2.1
281.06757	0.9
299.07697	6.6
301.03522	5.3
311.07748	0.9
326.06357	1.0
341.03137	0.6
341.08810	2.6
356.69556	0.7
359.09836	0.8
374.97385	0.8
390.95987	0.7
462.13708	0.9
477.16156	100.0
478.10956	0.8
478.16699	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	477.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	0.8
59.01387	5.9
61.98838	1.5
65.00333	1.8
71.01379	2.6
74.02489	2.2
78.95872	0.6
79.95749	1.6
82.03000	1.9
83.05035	1.5
83.86463	0.5
84.04567	2.1
85.02953	1.4
86.02488	12.5
87.00876	0.7
88.04057	1.2
89.02428	1.0
95.01415	0.8
96.04589	0.5
98.02489	0.9
98.06097	0.5
99.00898	1.0
101.02440	0.7
102.98615	1.3
108.04574	0.9
109.02981	1.3
109.07732	0.8
110.00093	0.6
110.06160	0.6
110.94106	1.1
111.00910	2.0
112.93816	0.8
113.02457	1.6
119.05023	1.0
120.01272	12.9
124.04086	0.5
126.05605	0.7
127.05156	2.2
127.08783	11.3
127.65182	0.6
128.03557	100.0
129.03902	1.6
133.02979	6.8
135.04576	3.0
136.98813	1.6
137.02454	1.8
139.00417	1.6
143.05045	2.4
152.03561	1.7
153.06737	4.2
163.00323	0.6
163.11281	0.6
164.98268	1.7
165.01930	1.1
165.12811	0.6
166.99901	0.4
171.07773	33.8
172.08159	0.9
175.03966	0.5
178.49844	0.5
179.04602	1.2
189.05536	0.6
196.02509	1.7
197.05693	1.0
199.04010	2.9
201.02011	0.7
201.05603	0.6
203.11116	0.7
204.92403	1.1
206.92020	1.4
206.99306	0.9
207.01225	12.6
209.11829	10.9
211.04001	0.5
213.03497	0.6
215.03619	0.6
215.06764	5.2
216.04279	0.6
217.05087	0.7
227.03497	2.0
227.12881	2.9
228.04294	0.6
229.04994	1.1
231.04532	7.4
243.03020	1.2
249.05524	72.5
250.05884	2.7
255.03006	2.1
263.13248	3.1
271.02518	1.0
272.03146	0.6
273.03992	0.6
283.02396	1.2
299.01987	6.5
300.02780	14.7
301.03568	69.1
302.03845	4.0
309.07401	0.9
315.05151	3.1
327.08636	2.8
341.02597	0.8
371.11334	5.5
394.27911	0.5
416.17520	0.7
460.16318	1.1
477.06152	6.9
477.10693	9.8
477.23267	1.8
478.06354	0.7
478.11691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99670	3.3
59.01389	100.0
59.81027	3.9
60.13734	3.8
71.01378	26.1
73.02960	22.1
83.01380	8.1
85.02962	9.5
89.02426	15.3
91.89320	4.5
95.01346	4.9
96.96008	7.3
98.02477	6.6
101.02446	22.1
112.55489	4.1
112.63622	3.8
113.02454	9.0
115.03960	4.4
119.03503	4.7
155.03528	9.5
179.10907	4.2
196.02519	6.4
197.11856	24.8
209.11751	4.0
211.13406	12.4
211.39612	3.9
257.44983	3.9
301.03549	24.1
391.19748	14.0
397.18817	8.2
433.20776	82.5
434.21039	11.5
477.18781	25.9
477.24515	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	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	52.1
62.38620	1.5
64.64773	1.2
69.07945	7.1
69.08347	2.6
71.01365	6.5
73.02956	9.3
79.63202	1.4
79.92543	1.4
83.01376	2.1
85.02943	3.3
87.00961	1.2
87.97076	1.2
89.02468	3.7
91.50588	1.2
95.01398	1.7
97.02998	2.0
101.02469	4.4
109.02993	2.0
113.02484	4.4
114.51372	1.3
119.03510	1.6
119.05051	1.3
121.18945	1.1
133.02957	8.9
135.04536	4.4
136.98788	2.1
137.02460	4.1
138.13779	1.2
139.00435	3.4
165.01883	2.2
166.99904	1.5
182.89157	1.2
201.01878	1.7
255.03096	1.7
300.02716	6.4
301.03561	100.0
302.03973	6.6
315.05032	5.2
391.19632	2.5
415.19882	2.7
433.20801	36.8
434.21262	2.7
434.36810	1.4
477.06552	12.2
477.23563	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	477.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98823	5.2
71.40565	4.5
72.99303	5.7
88.03914	3.0
91.04016	3.6
109.02966	3.7
117.03449	2.7
119.05060	3.3
162.83858	3.8
285.03918	3.8
301.03671	17.3
301.06668	3.1
343.24863	25.6
439.19638	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	478.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.5
61.12503	0.7
61.98837	9.7
65.08366	0.7
68.84786	0.7
79.95752	1.5
81.06251	0.7
83.05026	0.9
86.02480	1.3
92.27154	0.8
98.02494	1.7
108.04564	1.6
109.02954	8.4
118.14833	0.7
120.01311	1.7
127.08788	1.3
128.03543	11.6
129.03926	1.6
133.02971	23.8
134.03383	1.3
135.04543	0.9
135.08156	0.9
137.06122	0.9
143.05072	3.5
145.06584	1.1
149.06108	2.4
151.04034	1.1
152.03546	1.6
161.02463	1.4
171.07777	3.0
173.06056	2.6
175.04034	1.5
177.02072	1.2
191.07182	3.8
193.08742	0.9
196.02541	2.6
201.01979	1.2
203.11133	1.8
207.01224	20.2
215.00037	0.8
217.05049	6.5
225.28627	0.9
227.03510	1.6
229.05141	1.1
231.04510	1.2
249.05511	7.3
250.05899	3.9
255.10315	3.0
257.04626	1.1
263.13272	4.6
266.05960	1.3
269.04538	0.9
281.08124	3.7
283.09839	1.5
297.04135	1.1
297.07642	1.5
298.04779	1.2
299.02103	0.9
299.09293	3.1
300.02484	2.0
301.03391	2.4
302.03903	3.1
309.07761	8.2
327.08762	32.6
328.09079	2.7
351.97458	0.7
353.10461	5.2
371.11383	100.0
372.11749	7.9
401.00696	0.8
416.17252	1.6
450.59427	0.8
460.16473	2.3
465.35483	0.7
478.11279	1.5
478.17517	1.5
479.08365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	12.9
61.98836	20.0
71.01375	7.3
71.04977	2.0
72.99303	4.6
79.09872	1.6
79.84104	2.0
85.02962	7.4
90.28445	1.9
95.01402	4.2
96.96031	5.2
96.96988	1.9
99.00871	3.5
101.02468	2.4
109.02992	9.7
109.40210	1.8
110.94116	12.6
111.00887	4.7
113.02439	11.3
114.93420	2.6
117.03477	2.1
119.05012	2.1
123.00862	3.5
128.03534	2.6
133.02969	30.8
135.04541	38.8
138.78320	2.0
139.00415	11.7
141.01950	6.0
146.08232	4.4
149.06120	3.0
152.03539	2.7
153.01938	6.5
161.02423	3.9
164.98341	2.4
166.99875	28.5
168.94507	3.0
173.06096	4.1
175.02524	3.4
175.03998	3.6
181.01457	3.6
189.01883	1.9
191.07176	6.2
194.63281	2.2
195.06699	2.5
196.02498	3.3
204.92271	22.4
215.00227	8.3
217.05077	8.5
221.82892	1.9
225.11275	4.5
248.25081	2.2
257.04510	2.5
263.13187	6.3
273.03775	1.9
281.08154	3.3
285.04047	4.4
297.07458	2.1
298.04611	3.0
299.09299	4.7
300.03629	2.1
301.03644	9.2
302.03891	21.1
303.05157	36.5
309.07697	8.0
310.08121	2.5
327.08777	38.3
328.09250	3.5
353.10278	5.7
371.11389	100.0
372.11725	8.4
415.10123	3.1
478.10663	3.2
479.08511	9.3
479.25482	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	478.1876
Annotation	Aristoquinoline A
Peak:m/z	Relative Intensity
57.03402	0.6
57.16777	0.6
59.01388	1.4
61.98812	0.9
65.00326	4.3
68.99819	1.1
69.95070	1.4
78.80890	0.6
81.03497	0.8
93.03472	3.9
97.02964	1.0
97.06595	1.1
105.87917	0.5
117.03465	4.0
119.05044	33.4
120.05380	0.8
120.08287	0.7
135.04514	0.6
143.05043	14.3
145.02969	19.4
147.03336	0.7
150.31728	0.7
161.04959	3.5
161.06123	1.0
164.14476	1.3
177.96672	0.6
185.06100	6.9
186.12878	1.4
187.04027	7.8
190.12421	1.9
204.13959	16.1
208.13487	4.7
217.06554	0.6
225.05635	1.8
228.13965	7.5
229.05092	2.5
244.17145	2.2
246.15019	14.3
252.13995	1.0
264.16055	2.7
270.15048	4.4
272.12927	10.2
288.16129	5.2
290.14041	6.4
296.13031	1.5
314.14014	8.7
325.54529	0.6
332.15048	40.9
333.15424	3.4
340.11826	1.8
358.13000	2.7
372.15283	0.8
372.19803	2.5
374.17703	1.3
384.14758	3.6
390.20819	0.8
399.63245	0.7
402.74103	0.7
416.18716	2.5
434.19702	3.8
478.18759	100.0
479.19037	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	478.2943
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.97961	0.2
58.52153	0.2
58.55177	0.2
60.98119	0.2
65.10667	0.2
66.77667	0.2
70.83837	0.4
78.56651	0.2
78.95908	4.6
87.65733	0.2
87.69440	0.2
103.86383	0.2
110.22578	0.2
122.00207	0.2
123.13702	0.2
140.01208	2.0
152.99596	0.5
196.03784	1.2
214.04903	2.3
219.43544	0.2
267.74591	0.2
281.24878	100.0
282.25223	6.5
478.29440	6.6
478.36279	0.3
479.30002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71118	1.9
51.81746	2.3
57.58197	2.3
66.98833	2.4
71.18796	3.0
77.46992	2.0
78.95921	24.7
82.37539	2.2
91.98149	2.2
149.59869	2.1
152.99640	2.6
166.25197	2.2
178.70264	2.7
190.03947	2.3
196.03801	10.5
281.24887	100.0
282.25211	6.8
478.29361	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03449	1.7
59.01385	9.5
61.98839	2.0
65.00329	7.0
67.01911	1.5
69.03494	1.1
69.79125	3.3
71.01373	5.8
72.99322	2.1
73.02951	1.5
75.00876	1.4
78.95910	1.1
83.01411	4.0
83.22774	0.9
85.02957	7.1
85.15019	0.8
87.00882	1.6
89.02451	2.6
95.01393	5.4
96.96019	1.2
97.02985	1.2
99.00901	13.2
101.02454	1.5
103.00375	2.0
109.02978	3.2
110.00115	1.7
111.00890	16.6
113.02464	19.9
115.00351	1.0
116.92872	1.6
117.03485	1.2
118.37758	0.8
123.00900	10.5
125.02466	2.3
128.03586	4.9
131.73329	0.9
133.02994	1.5
135.04543	61.5
136.04906	2.2
136.98836	9.7
137.02452	3.2
139.00395	32.3
139.07666	8.5
141.01961	47.0
149.02434	9.9
149.99599	1.4
150.03259	4.8
151.00381	1.6
151.04036	3.5
153.01973	11.3
153.92448	0.8
159.04524	1.4
161.02477	7.3
163.00423	1.0
164.32295	0.9
164.98297	3.1
165.01942	1.8
165.99089	2.9
166.99879	44.6
168.00253	1.6
168.07922	1.9
171.07727	1.8
175.02483	6.6
175.03983	1.8
177.02003	1.3
181.01434	9.2
187.11339	1.3
189.01883	1.4
190.02747	1.5
191.03481	1.5
193.01469	2.6
193.03540	2.5
199.03937	1.0
201.01894	1.1
205.12350	2.1
206.08348	1.5
213.05576	1.0
215.00284	7.3
215.03453	1.2
216.04245	1.5
217.01367	1.1
218.02177	1.3
225.11319	2.9
227.03468	1.0
229.01408	1.0
231.03096	1.2
232.03764	2.1
242.02211	1.0
243.03059	3.9
253.09279	1.0
255.03078	1.3
257.04581	1.1
263.13391	1.3
271.02527	2.4
279.12448	9.2
280.12897	1.1
281.13055	1.1
285.04056	9.4
299.01920	2.0
301.03546	2.1
303.05142	92.7
304.05414	4.6
313.03540	1.5
316.02267	56.7
317.02972	75.2
318.03455	5.0
330.03766	2.4
331.04663	3.1
333.08621	1.1
345.05801	0.9
350.16440	3.4
359.04053	3.5
398.46243	0.9
402.09265	1.0
407.59082	0.9
479.08374	100.0
480.08615	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03452	2.9
59.01385	4.3
61.22243	0.6
61.98835	7.6
65.00336	1.1
67.01917	0.8
68.99831	0.9
69.03461	1.0
69.75197	0.7
69.75529	1.7
71.01387	5.5
72.57269	0.6
72.99317	1.8
75.00872	0.8
83.01396	1.8
85.02957	6.1
87.00934	0.8
89.02454	1.3
95.01413	4.9
97.02953	2.2
99.00894	16.6
101.02470	1.6
103.00395	1.0
109.02981	2.4
111.00897	18.9
113.02473	9.9
117.03515	1.2
119.05026	1.4
121.02988	1.2
123.00890	9.5
125.02495	0.9
131.03554	0.8
133.02986	1.5
135.04546	14.3
136.04926	0.8
137.02448	0.8
139.00385	26.9
140.01106	1.1
141.01958	100.0
142.02312	2.7
151.00377	0.8
153.01953	6.7
159.04567	1.0
161.02451	9.9
165.01997	1.2
166.99884	9.7
175.02467	1.9
175.03918	0.8
177.79083	0.6
181.01442	2.4
185.02245	2.6
191.03502	1.3
193.01436	0.7
193.03561	2.6
217.05043	2.0
241.05325	1.2
242.02472	0.6
242.70071	0.6
257.04449	1.0
275.05597	1.8
285.04083	6.8
303.05133	74.5
304.05417	5.0
320.09491	0.7
479.08188	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	479.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33257	0.7
55.01913	0.8
57.03444	1.4
59.01381	6.4
62.01096	0.7
65.00319	1.4
67.01875	0.8
68.99804	1.3
69.59811	1.5
69.60170	1.6
71.01397	4.9
72.99318	2.8
73.02970	0.9
75.00863	1.4
79.95734	1.4
83.01398	3.5
85.02957	9.2
87.00909	1.0
88.66532	0.8
89.02444	1.2
91.80450	0.6
95.00864	1.2
95.01385	6.5
95.94341	0.7
98.21921	1.4
99.00891	6.1
103.00365	2.5
106.07462	0.7
109.02950	2.5
111.00897	9.7
113.02454	21.7
117.01966	1.1
123.00902	11.1
129.01970	1.2
134.03760	1.2
135.04536	80.8
136.04875	2.9
136.98825	2.4
137.02487	0.9
139.00385	21.7
141.01950	10.7
144.58394	0.7
148.55956	0.8
151.00507	0.8
153.01944	12.1
161.02502	2.3
165.98958	1.0
166.99875	60.6
168.00192	1.6
175.02495	11.0
181.01445	13.3
193.01451	1.0
193.03476	2.0
236.97958	1.0
237.43912	0.8
241.05022	1.0
257.04520	1.5
285.04044	8.8
303.05124	100.0
304.05399	6.1
317.05109	3.4
317.19730	1.5
321.09888	0.8
346.26920	0.9
479.08319	20.8
479.25015	5.9
480.08643	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	479.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63125	2.0
57.03440	2.9
57.94269	1.8
59.01390	23.2
60.17581	1.7
65.00321	2.9
68.99840	2.6
69.08321	11.7
69.08733	3.5
71.01382	13.7
71.35315	1.8
72.99313	5.2
73.02953	4.7
75.00869	5.8
82.00585	2.5
83.01395	5.7
85.02943	15.3
87.00893	4.6
89.02431	2.6
95.01405	8.0
97.02959	3.1
98.21913	5.1
99.00899	15.7
100.50642	1.8
101.02480	2.5
103.00385	4.1
107.01429	2.0
109.02948	3.3
109.06627	2.4
110.00082	3.6
111.00899	15.1
111.86478	1.9
113.02453	26.4
119.05006	2.2
123.00898	14.0
123.04552	3.0
129.09183	4.6
132.69923	2.2
135.04543	92.7
136.04880	3.2
136.98790	3.4
137.02461	2.4
138.99452	3.3
139.00401	35.7
141.01956	96.6
153.01959	14.9
161.02454	4.9
164.98288	5.4
165.99161	3.8
166.99893	79.2
168.00272	2.4
175.02562	9.9
179.22211	2.1
181.01486	17.5
285.04083	5.5
299.03931	2.6
303.05115	100.0
304.05447	6.1
317.05133	68.2
318.05637	2.9
479.08304	97.9
479.25275	22.5
480.08688	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	479.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03453	1.9
59.01389	10.2
61.00426	1.1
61.98817	1.9
65.00308	3.3
67.01896	1.2
68.99819	1.4
69.03445	1.2
71.01388	6.5
72.99313	1.9
73.02956	2.0
75.00888	1.5
83.01408	3.2
85.02967	8.3
87.00863	1.5
89.02457	2.4
89.59236	0.9
95.01410	6.0
97.02953	3.1
99.00889	16.2
101.02369	0.9
103.00390	2.1
109.02944	1.8
111.00890	18.2
113.02464	15.6
116.92886	4.4
117.03430	1.5
123.00901	10.6
123.04535	1.2
133.02960	2.2
134.03792	1.5
135.04539	45.7
136.98790	4.9
137.02458	1.3
139.00386	28.1
141.01956	81.4
142.02283	2.2
149.02426	4.0
150.03264	1.5
151.03955	1.8
153.01967	12.2
159.04430	1.4
161.02454	9.9
164.07176	1.0
164.98270	1.2
166.99873	30.4
171.04533	1.3
171.10355	1.4
175.02568	5.3
181.01466	6.1
193.03555	4.3
199.04068	1.1
206.08237	1.8
215.00230	5.1
217.04980	1.1
225.11224	2.0
241.05034	1.3
241.92361	1.1
243.02979	1.7
248.09343	2.0
253.09241	1.1
255.03134	1.3
271.02533	1.2
285.04056	9.9
302.04156	1.1
303.05127	100.0
304.05453	6.7
313.18707	1.3
316.02264	21.2
317.02930	29.3
318.03302	1.8
330.03851	1.3
406.41428	1.1
444.21594	0.9
479.08362	49.5
479.17447	2.8
479.23947	1.8
480.08658	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01388	9.1
60.19670	0.7
67.01884	0.8
67.47045	0.8
68.99821	1.1
69.38121	3.0
71.01379	7.7
72.99323	3.5
73.02950	0.8
73.41997	0.7
75.00870	2.1
83.01395	3.2
85.02959	11.3
87.00890	2.6
89.02464	1.7
95.01389	8.0
96.99298	0.9
99.00886	8.7
102.80293	0.8
103.00388	2.1
109.02999	3.8
109.03672	0.7
111.00886	11.6
113.02463	24.0
114.02814	1.0
117.01926	1.1
123.00893	11.7
131.03508	1.1
135.04538	100.0
136.04852	3.1
136.98788	3.3
139.00385	27.7
141.01952	11.8
153.01958	17.4
161.02457	2.2
164.98309	1.3
166.99873	77.5
168.00191	2.3
175.02504	12.1
181.01457	16.8
193.01601	1.0
193.03532	4.3
211.86021	0.8
213.05635	0.9
223.44728	0.8
241.04999	1.4
257.04544	0.9
285.04050	10.5
303.05121	99.9
304.05487	5.7
317.05087	4.5
479.08405	20.4
479.24838	1.1
480.08844	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03452	2.2
59.01382	3.9
69.03457	0.9
70.56801	0.8
71.01392	4.5
72.99314	1.4
73.02962	1.2
75.00887	0.9
83.01375	1.4
85.02960	4.7
87.00887	0.6
89.02441	0.8
95.01405	3.8
97.02960	2.0
99.00883	16.2
103.00388	1.0
109.02978	1.2
111.00892	16.8
112.01183	0.6
113.02467	6.4
115.00391	0.6
117.01996	0.5
117.03498	1.1
123.00912	7.4
125.02460	0.9
131.03490	0.4
133.02960	0.8
135.04538	4.6
137.02515	0.7
139.00388	23.3
140.01045	0.9
141.01953	100.0
142.02301	2.2
151.00383	0.6
153.01933	3.5
159.04552	1.0
161.02457	9.5
166.99869	1.1
173.06013	0.8
175.02512	1.2
175.04016	1.5
175.66963	0.4
181.01418	1.1
189.05521	0.5
193.01523	1.0
193.03526	2.6
198.03259	0.6
199.03943	1.0
215.03590	0.5
217.05049	1.5
239.03619	0.5
241.05150	0.6
275.05582	0.8
285.04025	6.7
303.05115	64.2
304.05396	4.0
317.05136	1.1
442.11212	0.5
479.08414	9.8
480.08627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.5
59.01372	3.3
61.98836	16.8
65.00320	2.7
68.68663	0.7
69.74700	2.9
71.01392	1.6
72.99345	1.0
73.02937	1.0
73.54700	0.8
75.00858	1.3
83.01413	3.8
83.48086	0.7
85.02970	5.4
87.00848	1.2
95.01379	2.0
96.96011	1.4
97.79256	0.8
99.00918	2.0
101.75464	1.0
106.17047	0.8
107.01380	2.7
108.02203	0.9
109.02936	1.9
111.00866	1.8
113.02443	11.4
114.38741	0.8
119.04978	2.0
121.02931	1.1
123.00937	1.7
123.04515	3.1
124.01678	1.4
125.02464	83.4
126.02789	2.3
133.76527	0.8
135.04509	1.9
136.98805	1.0
137.02477	1.6
139.00343	1.4
139.04001	1.5
141.01991	5.3
147.04482	1.9
149.02429	3.8
150.03198	3.2
151.00375	10.3
151.04018	5.6
152.01166	4.8
153.01973	10.2
161.02399	1.2
164.98227	2.3
169.05099	0.8
171.04565	1.3
174.03242	2.1
175.02498	5.3
175.04007	17.3
176.04358	0.8
177.00485	1.3
177.01955	18.5
178.02242	1.7
178.99883	9.7
181.01469	2.7
184.41277	1.0
188.04695	1.1
189.05548	4.6
191.03380	0.9
193.05061	1.3
199.04042	8.0
201.01920	3.0
205.05081	0.9
213.05569	2.3
216.04242	1.7
217.05089	9.0
231.06558	1.3
233.04222	0.7
236.65445	1.0
241.05115	8.3
243.03000	2.0
252.68629	0.8
257.04572	1.3
259.06174	4.0
275.05573	5.7
285.04086	67.5
286.04431	3.7
303.05130	100.0
304.05499	5.9
341.01569	2.0
479.08438	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	479.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55426	0.6
55.01872	1.6
56.57864	0.6
57.03456	1.2
59.01388	7.5
67.01905	0.7
69.03455	1.9
71.01393	7.3
71.39741	0.5
72.99316	2.1
73.02943	2.3
76.98022	0.9
83.01389	2.1
85.02959	6.5
87.00934	0.7
89.00399	0.6
89.02456	1.9
95.01395	3.9
97.02966	3.0
99.00889	15.8
101.02444	3.1
103.00385	0.6
109.02991	0.7
111.00896	19.2
113.02466	9.3
117.03472	1.8
119.05056	2.3
121.02978	1.3
123.00913	9.2
123.40788	0.6
125.02450	1.0
133.03023	1.1
135.04550	4.6
139.00394	22.7
140.00937	0.9
141.01959	100.0
142.02296	1.9
153.01967	4.2
159.04526	0.9
161.02477	10.6
161.04526	1.5
166.99825	0.7
173.06111	0.7
175.02498	1.4
175.03967	1.5
177.01926	1.4
181.01558	0.7
183.09978	0.5
183.38652	0.5
185.02206	6.4
193.01750	0.7
193.03577	2.3
203.03546	0.8
203.05673	0.9
215.00255	1.9
217.05084	1.8
217.36688	0.6
226.83989	0.6
229.05157	1.0
241.05144	1.2
257.04633	0.6
267.74973	0.6
285.04041	5.9
286.04489	0.6
303.05133	61.1
304.05374	3.7
357.93274	0.9
401.08566	3.6
443.09573	4.6
443.93246	0.6
455.74728	0.6
479.07980	10.6
479.17014	0.7
480.09030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01378	1.1
68.71786	0.3
69.03470	0.4
71.01389	3.5
71.02200	0.3
72.01733	0.6
73.02941	0.8
83.01402	0.4
85.02951	2.7
86.03297	0.7
87.00925	0.4
94.93772	0.3
95.01393	0.7
96.96007	1.2
97.02991	0.5
98.21797	0.5
98.95605	1.2
99.00863	0.4
99.92591	7.0
100.90488	0.8
100.92709	0.4
100.93326	1.4
101.02484	0.4
109.02900	0.4
113.02465	3.4
114.02792	0.7
114.93442	0.3
115.92088	2.3
116.92868	100.0
117.90887	0.3
117.92880	3.7
129.42183	0.3
134.95303	0.3
135.04529	0.3
151.95473	0.3
213.92084	0.4
272.05215	0.5
312.07806	0.3
327.10382	0.3
334.21042	0.9
335.21176	0.4
343.10001	0.5
361.11157	0.6
373.11078	0.3
387.08969	0.8
399.08704	0.4
405.10190	1.5
417.10135	4.1
418.10461	0.4
431.08160	0.3
432.08801	0.4
443.08539	0.7
449.08786	0.4
461.09088	1.9
478.25378	6.5
479.10162	9.9
479.25409	3.2
480.10440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03453	2.1
58.07208	0.8
59.01384	14.0
59.62121	0.8
65.00340	1.1
67.01875	2.3
68.99829	1.3
69.10892	6.3
71.01383	15.4
72.99296	1.7
73.02930	1.2
75.00868	3.7
81.03467	0.9
83.01392	1.4
85.02950	16.8
87.00885	3.4
89.02449	2.5
91.01891	8.8
93.03465	8.6
95.01392	5.3
99.00883	6.5
101.02428	4.3
103.00421	1.5
107.01383	5.9
108.02180	16.9
109.02969	8.3
111.00896	2.7
113.02457	27.8
115.00407	1.2
117.01939	2.3
121.03030	0.8
122.03732	2.3
123.00903	2.6
123.04539	34.5
124.01670	1.2
124.04875	0.9
125.02489	1.4
129.01994	1.7
135.04565	1.0
136.01654	1.3
137.02457	14.2
139.00404	1.5
141.01981	1.2
150.03256	1.8
151.00391	11.5
151.03937	0.8
152.01175	21.7
153.01976	9.2
165.01842	0.9
166.02727	16.4
167.03502	100.0
168.03822	4.2
175.02480	3.9
179.03331	1.0
181.05086	9.2
194.02205	8.2
195.02942	3.2
209.04562	39.5
210.04898	1.0
216.30661	0.9
221.04578	3.8
236.86736	0.7
239.05589	4.0
240.81760	0.9
251.05562	2.4
255.05145	1.4
269.06668	9.6
296.05365	1.9
297.06104	6.2
303.05267	1.0
311.07736	22.2
419.09949	1.0
469.98846	0.8
479.11987	52.0
480.12369	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	479.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
57.03442	1.2
59.01384	7.8
61.98834	3.6
67.01884	1.6
68.66664	0.7
69.21920	0.7
71.01389	7.6
73.02956	2.4
81.03468	2.8
81.76610	0.8
83.01379	2.5
85.02970	2.9
87.00915	0.9
91.01867	0.9
94.80630	0.9
95.01402	1.1
97.02960	0.9
99.00896	1.7
101.02449	4.0
107.01408	7.0
108.02193	34.7
109.02981	11.8
111.00926	1.0
113.02467	3.3
116.92887	1.3
123.00916	1.9
123.04544	24.7
124.01603	0.9
125.02479	2.5
131.03479	1.0
133.03043	1.0
133.42371	0.9
135.04510	2.0
139.11241	0.9
146.08238	0.9
151.00378	6.4
152.01172	60.0
153.01971	21.1
154.02364	1.1
166.02731	9.8
167.03520	100.0
168.03883	2.7
180.89674	0.9
181.05081	6.3
181.12486	1.0
195.03012	1.1
197.64066	0.8
201.11372	2.7
207.10318	2.0
209.18138	0.9
215.00256	2.6
222.44987	0.8
225.11295	3.1
243.12373	1.8
245.02330	0.8
296.05487	2.9
297.06192	36.8
298.06570	1.6
299.01956	1.2
311.07773	33.4
312.08304	1.8
479.12073	31.9
479.21606	4.4
480.12259	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1713
Annotation	7-Oxostaurosporine
Peak:m/z	Relative Intensity
59.01382	10.9
68.99818	2.9
74.43275	1.3
78.95911	2.3
87.04517	7.4
95.05009	1.7
95.67743	1.4
97.06593	2.5
106.02208	1.3
107.05014	1.5
115.05576	2.0
117.03494	3.6
119.05036	54.4
120.05411	1.3
121.06638	2.6
133.03050	1.4
135.04494	2.6
137.06075	1.8
143.05042	50.4
145.02972	3.8
147.08189	4.0
149.06116	1.5
149.56178	1.3
159.04533	2.2
159.11867	1.9
161.06079	2.6
173.06068	4.0
174.06865	14.2
175.11319	2.4
177.01956	2.7
185.09724	4.5
187.04024	26.6
188.08360	1.6
189.05574	3.4
200.13716	1.6
203.10786	20.5
204.11037	1.4
209.72415	1.4
215.07196	1.6
217.04996	1.9
227.10797	1.6
235.06064	1.7
266.35098	1.4
338.07834	1.9
339.08722	4.3
359.11288	2.0
381.09811	5.6
382.10703	7.2
435.14417	24.8
436.14944	2.5
479.17157	100.0
480.17328	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	479.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01385	23.6
65.00343	0.9
66.00639	0.5
68.99857	0.5
69.03464	0.5
69.58207	1.2
71.01388	9.5
72.99312	0.9
73.02952	5.4
75.00876	3.9
83.01392	1.1
84.02174	0.4
85.02956	7.4
87.00880	2.4
89.02449	5.9
95.01415	2.2
98.22665	0.7
99.00886	7.9
101.02457	4.6
109.03000	2.0
110.00121	0.4
110.03322	0.6
111.00892	1.8
112.18957	0.4
113.02464	8.7
114.02794	0.7
117.05581	0.8
119.03503	1.7
123.00946	0.9
125.02461	0.6
131.03503	1.4
133.02969	9.4
134.03300	2.6
135.03526	1.4
135.04546	3.1
136.04860	1.4
136.98802	1.2
137.02480	3.6
137.05179	0.6
138.02831	1.2
139.00377	3.5
139.03020	1.0
140.00726	1.2
141.00844	0.6
149.04567	2.1
157.01387	0.7
159.04515	0.5
161.02550	0.6
161.04593	1.6
163.00369	0.8
164.98311	1.4
165.02000	2.8
165.98865	0.7
166.02310	1.3
166.98599	0.6
166.99937	2.3
167.02448	1.1
168.00243	0.7
169.00311	0.5
175.02536	1.0
175.04012	0.8
176.04420	0.5
190.99866	0.5
191.05573	2.8
192.00537	1.3
193.01108	0.5
201.01909	1.0
201.05705	0.5
203.02264	0.4
203.05763	1.0
206.47231	0.4
211.03984	0.7
213.04558	0.5
215.03392	0.6
216.03786	0.6
223.00496	0.5
227.03494	1.0
229.05066	0.9
231.05548	0.7
239.03456	0.6
255.03030	1.9
256.03448	1.2
257.03665	1.6
270.41171	0.4
275.04559	0.7
283.02325	0.6
285.03033	0.5
286.04010	0.6
299.18500	0.7
300.02707	0.8
301.03568	51.8
302.03888	46.5
303.04108	100.0
304.04358	4.7
373.04459	0.5
393.17667	1.7
435.18613	3.9
479.07343	21.9
479.17828	11.4
479.24469	0.8
480.07742	1.5
480.18158	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	479.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92168	1.0
56.03328	1.2
59.01386	100.0
60.01735	1.2
61.98846	6.9
64.45096	1.0
71.01403	1.3
83.01421	1.4
85.02977	1.5
87.04542	4.0
91.56321	1.1
93.03447	1.3
111.00930	0.9
117.03498	1.6
119.05039	14.1
133.03052	1.3
135.04533	3.9
143.05020	1.6
158.77161	1.2
187.04063	2.4
209.11821	1.2
219.02936	1.7
302.39548	1.1
381.10123	1.5
382.10278	5.7
396.61462	1.2
479.17056	11.3
480.17245	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.266
Annotation	Pierisformoside F
Peak:m/z	Relative Intensity
50.67900	0.5
59.01407	0.7
59.89916	0.4
61.98861	0.5
71.41380	0.5
73.62070	0.5
80.54656	0.4
119.05046	3.6
135.04514	0.9
162.06828	0.6
167.03502	1.3
177.93698	0.5
191.03462	0.9
197.36621	0.4
215.07161	1.2
219.03020	1.7
231.17574	0.7
233.04591	1.0
258.16327	3.7
287.20197	23.6
288.20532	2.0
299.20172	10.1
300.20605	1.1
315.19724	2.5
316.20279	1.0
317.21243	100.0
318.21594	8.3
339.08676	2.9
381.09601	0.7
382.10541	6.3
383.11011	0.8
428.30057	0.5
472.34195	0.4
479.17133	1.0
479.26532	32.5
480.27106	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	480.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.5
61.98550	3.8
61.98835	45.9
69.69296	5.2
69.69650	6.0
71.01396	4.9
78.95882	6.4
83.01367	2.7
86.50609	2.4
91.01809	2.4
93.03468	45.5
95.01447	2.7
96.95987	3.5
98.22607	3.1
101.02436	3.0
108.02170	3.3
117.03482	100.0
118.03870	3.9
119.05036	28.6
120.05370	4.5
120.42153	2.5
123.04545	3.6
133.03006	4.7
135.04538	15.3
145.02942	4.2
145.06564	3.1
147.04561	5.7
149.06085	4.7
159.04520	30.2
161.02486	24.4
161.06070	3.5
163.04022	5.9
163.07649	9.6
173.06085	5.5
177.09151	2.8
185.02426	4.5
187.03981	8.1
187.07686	7.4
189.05695	5.8
191.07176	25.3
202.08698	6.2
203.03525	62.4
205.08743	6.5
213.15057	3.8
214.15346	3.2
215.05861	8.3
217.05070	5.4
217.80394	2.7
226.08736	9.2
230.08224	58.6
231.06572	13.8
233.08168	10.3
237.05600	4.2
239.18658	2.6
244.09827	8.6
246.11331	4.7
259.06128	8.3
270.07706	9.1
272.09177	4.8
274.10861	55.1
275.11099	3.8
281.08279	2.7
283.05948	13.5
288.12527	5.9
291.06277	3.8
297.11148	2.8
300.09006	3.0
302.04315	3.1
307.06152	2.9
309.07693	4.8
309.11343	3.8
314.10358	22.8
314.21921	3.1
316.12009	4.7
318.09879	5.0
319.04648	2.8
324.12363	3.9
338.06854	3.7
347.29660	3.1
348.12360	8.1
353.10297	28.5
363.11038	6.0
364.11774	13.2
378.09613	3.0
379.08170	14.9
392.11392	8.8
392.15613	5.9
408.14465	17.3
436.14023	60.4
437.14227	3.4
480.11758	5.3
480.18192	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	480.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87811	1.1
54.82533	1.0
65.00340	2.5
65.99860	1.6
68.99808	1.3
69.03461	1.4
71.09781	1.9
75.36411	1.2
78.95915	20.7
80.81874	1.0
81.03454	2.5
88.66359	1.0
96.00945	1.7
97.02952	1.3
107.01421	1.5
123.03325	1.0
136.00415	15.3
137.00806	1.1
141.07149	1.4
151.00392	1.8
152.99544	2.0
163.99944	14.7
165.00658	2.4
167.08598	1.4
168.04326	3.4
168.05743	1.2
168.81349	1.2
169.06581	5.5
181.06688	2.3
183.08173	9.8
184.08510	1.2
198.05659	1.4
211.07674	33.1
212.07916	1.5
224.06952	9.1
226.08755	1.4
242.08119	3.5
244.02492	1.4
255.06624	10.4
255.23318	100.0
256.06839	1.4
256.23709	2.5
268.06168	72.1
269.06839	5.4
270.07761	7.2
280.06241	1.6
306.07742	1.3
348.08649	3.8
376.08286	2.7
480.14673	32.7
480.30966	23.1
481.14981	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.9519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02623	0.4
52.21847	0.4
59.01372	1.5
71.01382	0.6
79.95745	3.1
82.02937	0.5
85.02962	0.5
96.95997	0.5
104.00553	0.4
107.12624	0.5
110.00125	1.5
131.07877	0.4
135.04489	0.4
136.98819	0.6
137.02486	0.7
137.99635	0.4
141.01974	0.5
161.02448	0.6
161.04555	0.4
163.00383	0.9
164.98286	1.0
165.99040	1.2
167.03560	0.6
211.04045	0.9
223.84673	0.5
228.98207	0.9
239.03520	1.0
255.02930	2.9
259.54227	0.5
269.04517	0.5
283.02505	9.3
284.02991	0.5
298.04831	0.9
304.05371	0.6
306.01480	100.0
307.01773	5.4
321.03821	63.4
322.04150	4.2
352.08145	1.2
353.09219	0.6
385.97400	0.5
400.99515	95.4
401.99786	6.8
436.20190	0.5
480.25491	0.7
480.95200	10.1
481.17538	0.6
481.26453	0.7
481.95963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.099
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52312	0.5
65.00314	0.8
69.03460	3.5
69.06137	3.3
71.01378	2.0
79.01895	1.0
79.21223	0.5
81.03467	1.2
83.01381	1.6
85.02948	1.2
91.01897	1.8
95.01397	2.1
97.02962	3.4
101.02440	1.0
107.01397	2.8
108.02192	2.8
109.02978	1.2
114.08514	0.4
121.02937	0.9
122.00105	0.6
123.00901	7.1
123.04548	5.3
124.01675	23.3
125.02457	41.2
126.02784	1.3
135.04546	0.5
137.02440	2.5
149.99596	38.9
150.78041	0.5
151.00392	3.6
152.01146	3.1
153.01917	1.7
166.02623	0.8
166.99861	0.7
167.03508	11.5
168.00655	63.8
169.01413	6.4
180.00229	0.5
189.21686	0.5
193.01474	0.7
211.02661	0.7
217.90543	0.5
225.60466	0.5
269.06848	1.0
296.05048	0.6
301.68927	0.6
306.01447	0.9
311.07761	4.0
313.05606	2.7
321.03946	0.7
331.06726	5.0
332.07065	0.5
352.08188	0.8
374.54022	0.5
455.09814	0.8
463.08807	3.0
481.09909	100.0
482.10208	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	481.0994
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
53.21152	1.5
55.01894	2.2
59.01384	8.0
67.01904	2.4
68.99818	2.4
69.03465	4.2
71.01384	14.2
73.02944	3.5
79.01916	2.7
81.03487	3.7
83.01384	6.4
85.02956	6.8
87.00888	3.5
91.57394	1.4
95.01397	10.1
95.94215	1.9
97.02968	6.4
97.14678	1.3
99.00883	2.5
101.02473	5.6
107.01413	5.2
108.02200	2.8
109.02966	5.6
111.00877	5.2
113.02473	4.6
117.03507	2.1
121.02973	12.4
122.00124	2.0
123.00897	100.0
123.04556	7.1
124.01685	88.6
124.02621	2.9
125.02467	50.3
127.00398	5.5
136.01747	1.5
136.98811	5.7
137.02443	19.9
138.03244	46.8
139.00418	6.7
139.04047	36.5
141.01907	2.3
149.02460	2.1
149.99605	47.5
151.00394	3.6
152.01172	3.5
153.01936	5.9
153.05583	11.5
154.02750	3.6
155.03531	3.0
157.81563	1.7
166.99876	3.9
167.03503	16.3
168.00665	77.9
169.01401	7.4
169.05040	2.5
181.01497	9.2
182.02229	20.3
183.03026	18.2
193.04933	1.7
194.36884	1.8
196.03848	2.3
197.04575	33.9
202.54559	1.7
269.06741	2.8
311.07779	11.1
313.05624	3.6
326.06393	4.2
327.07202	13.1
331.06863	7.7
341.08777	72.3
342.09131	4.6
390.96570	2.1
426.43375	1.8
463.09091	3.4
466.10995	4.3
481.09802	93.5
481.14059	52.8
482.10138	9.2
482.15009	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	481.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46561	0.6
59.01381	3.5
61.64252	0.6
61.98835	1.6
65.00325	0.7
69.03443	1.6
70.79509	0.7
71.01394	2.0
72.99297	0.9
73.02950	1.3
75.35777	0.6
77.15452	0.7
79.95750	1.1
81.03472	2.4
85.02946	1.7
91.01913	2.1
94.03464	0.6
95.01379	1.7
96.96015	1.4
97.02966	3.0
99.00883	0.8
101.02444	0.8
108.02215	1.7
109.02957	3.4
111.00877	1.3
113.02474	2.9
119.03496	0.6
121.02960	1.0
121.06630	0.7
123.00913	2.3
123.04521	6.8
124.01697	5.9
125.02457	76.6
126.02811	1.4
134.28156	0.6
135.04539	3.8
136.04866	0.8
137.02452	0.7
139.00380	2.4
141.01964	3.2
143.02357	0.9
151.04012	4.2
152.01172	2.5
153.01930	2.5
157.06648	0.8
161.02420	1.9
166.99854	1.6
167.03514	11.0
168.00658	7.3
168.03934	0.8
169.01439	100.0
170.01750	3.2
175.02528	0.8
175.04008	0.7
183.03070	1.2
194.03922	0.7
210.53020	0.7
283.02731	0.9
286.94263	0.7
303.04794	1.9
304.05176	1.9
305.05969	3.4
306.01413	1.9
311.07706	3.7
312.08307	0.8
313.05701	2.0
321.03604	1.7
331.06744	11.8
353.09076	0.9
400.99509	2.0
437.10770	1.1
461.69244	0.7
481.09833	50.2
481.25937	1.4
482.10269	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	481.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49950	0.5
59.01376	2.2
63.49187	0.5
67.01863	0.9
70.85033	0.5
71.01376	3.0
73.02953	1.3
74.08012	0.5
82.00600	2.8
83.01375	0.9
85.02940	1.4
91.01889	1.6
93.03447	0.6
95.01395	1.3
97.02975	0.6
99.00873	0.9
101.02439	0.9
107.01393	2.2
108.02189	7.4
109.02969	4.9
110.00108	8.5
111.00886	1.9
113.02449	1.5
114.54185	0.7
122.03785	0.7
123.00897	2.1
123.04553	5.2
124.01671	2.4
125.02451	8.0
136.04056	0.7
137.99623	8.2
138.03212	0.7
139.00381	8.4
139.04033	4.8
141.01994	0.9
149.99559	1.8
151.00363	2.0
152.01172	8.6
153.01952	100.0
154.02737	8.6
166.02710	2.5
167.03516	20.9
168.00685	3.5
168.04289	31.0
169.05083	7.2
209.04567	0.5
239.05577	0.9
269.04550	1.2
270.04935	1.0
271.05890	0.6
272.80014	0.6
281.06824	1.0
297.06171	10.9
311.07715	13.3
312.08109	0.8
321.03781	0.7
341.08862	2.1
352.08484	1.6
463.08963	0.6
481.13745	48.5
482.14069	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.186
Annotation	11-Hydroxyvittatine
Peak:m/z	Relative Intensity
51.29812	4.7
70.75301	8.4
78.95927	5.6
86.09025	5.2
88.41005	4.6
90.02097	4.9
117.03484	67.3
119.05051	13.6
135.04515	15.1
143.05096	6.7
159.04454	12.8
171.04602	6.6
200.04822	8.4
201.05626	11.6
213.05742	5.5
227.03510	6.8
255.02971	18.3
265.84988	5.6
275.94366	5.3
285.04233	5.5
291.16046	5.5
318.71579	5.5
319.15564	51.9
351.16129	10.0
361.16751	11.4
365.11755	5.3
383.18625	25.0
481.18747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	18.8
60.39736	12.5
69.28170	84.5
71.01382	19.2
73.80896	13.3
76.73928	13.9
87.04523	20.5
96.42001	12.1
101.06101	82.8
113.06064	43.6
115.04021	82.2
115.07664	100.0
119.05052	43.2
119.08632	16.0
125.02470	15.6
143.07182	49.4
152.25687	20.4
163.07632	51.6
171.06630	21.2
178.63684	15.6
223.02791	17.4
255.13974	19.5
256.95358	14.8
273.15002	90.7
427.97421	14.4
445.22360	16.1
481.19427	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98073	0.8
55.01882	3.7
57.03466	3.4
59.01384	73.4
68.20222	0.8
69.03448	2.3
71.01387	62.8
72.01736	0.8
72.99329	1.0
73.02956	19.1
75.00887	0.8
81.03481	1.3
83.01391	8.1
85.02961	20.2
87.00878	2.1
89.02448	30.1
94.87315	0.7
95.01386	2.4
97.02947	3.3
99.00898	4.7
101.02447	38.6
102.02799	0.8
111.00877	5.2
111.04598	0.7
113.01721	1.2
113.02460	18.4
115.04017	1.4
119.03527	0.7
125.02464	4.5
127.11257	0.8
131.03516	17.6
143.03505	2.4
149.04575	9.2
159.02991	1.5
161.04572	10.7
173.04462	0.8
191.05620	2.2
228.96136	0.9
233.06650	3.5
253.34033	0.8
289.16580	26.7
290.16745	1.2
293.08777	3.6
421.20825	100.0
422.21042	8.1
461.51324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04963	34.5
68.23373	38.8
71.43538	37.1
76.44078	38.3
87.85310	35.9
102.05949	37.2
117.03437	37.2
121.78876	33.8
134.35670	35.1
135.04581	56.3
139.26770	47.0
141.10440	44.2
150.88008	39.1
153.07822	32.7
177.79720	39.6
269.77710	43.8
290.82098	37.2
334.84940	38.9
359.54733	41.8
481.18427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	51.8
61.98836	33.7
64.65674	20.5
71.43427	25.4
95.03352	22.2
96.95984	25.7
96.97083	17.9
117.03455	33.4
119.05020	77.4
120.09380	16.5
122.02504	23.8
135.04552	55.3
161.02396	19.5
163.75616	21.3
182.63315	19.5
216.95970	24.7
247.06250	24.7
254.50502	21.8
298.90430	18.6
383.10995	37.2
481.02695	32.1
481.18729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17589	16.5
59.01382	39.8
69.28647	100.0
97.24287	19.5
98.83438	21.6
106.66253	16.9
108.67122	16.6
109.20733	23.5
122.02453	40.0
128.72742	22.2
144.51126	18.0
170.05452	21.8
170.88350	24.9
277.70770	19.1
291.87643	22.8
481.19611	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	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38251	2.8
61.98836	3.3
67.01153	2.8
69.55141	6.9
69.55533	7.2
78.46690	3.1
78.95906	48.6
87.57890	3.2
98.13859	3.9
98.22684	3.6
116.92843	8.5
134.80554	2.9
142.20670	3.0
152.99583	55.4
171.00615	17.1
227.03232	4.2
245.04318	100.0
246.04756	3.1
246.62129	3.3
253.21776	58.9
307.07181	2.8
311.16913	3.9
325.18698	4.0
334.43713	3.3
339.19876	4.0
369.05304	3.3
439.04974	3.1
481.25842	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85415	1.0
59.20850	1.1
60.90759	1.0
62.96397	1.1
68.54959	1.1
69.94112	2.2
69.94463	2.8
76.66924	1.0
78.95911	42.6
79.77757	1.0
85.65453	1.1
96.01520	1.1
96.96976	4.5
101.55457	1.2
114.55466	1.0
116.92896	2.2
134.43248	1.1
152.99603	62.1
171.00638	18.4
227.03278	3.2
245.04323	100.0
246.04686	2.1
253.21748	57.6
254.22052	3.8
260.15350	1.3
283.47491	1.2
481.18942	1.7
481.25821	30.5
482.26346	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12303	1.1
54.83870	1.2
65.00327	5.6
65.99852	7.8
71.41936	1.9
72.47877	1.5
83.01373	2.2
96.00919	1.9
107.01398	2.9
109.01691	1.5
113.83997	1.6
117.03444	1.5
131.79587	1.6
134.02496	4.9
136.00406	5.5
139.34767	1.2
141.94708	1.7
143.05067	1.9
145.06642	3.1
147.04521	2.4
150.02008	1.7
151.00386	4.3
157.02922	1.6
157.06619	3.3
158.02534	2.9
158.06184	2.4
159.00893	4.2
163.99953	6.2
165.00766	1.9
169.06628	2.8
171.04506	6.5
173.06108	3.6
175.02820	2.3
175.99913	5.3
177.01979	1.3
178.01456	3.6
182.06189	1.4
185.06148	2.0
187.99998	1.5
189.99126	3.5
190.01419	1.7
190.98671	1.4
196.07690	1.5
201.01985	3.1
202.01500	6.6
202.99908	14.7
203.01791	2.2
213.05556	3.7
215.02275	1.8
224.07178	2.2
224.48030	1.3
225.05678	2.1
226.05212	5.3
229.01425	4.9
230.00885	2.3
234.00369	1.7
240.06717	3.9
242.08264	2.8
248.53778	1.6
254.08290	1.8
255.06642	23.8
256.06940	1.9
265.04980	4.7
266.08200	8.4
268.06210	14.1
270.07721	4.9
273.99982	1.8
278.08258	2.2
279.06534	1.4
280.06174	11.9
282.07739	3.6
290.08224	3.2
296.05603	7.6
305.08069	2.8
306.07770	13.3
307.06073	20.4
310.07193	1.8
333.07684	2.4
334.07248	13.7
377.06830	7.7
378.06424	7.9
395.13019	3.7
396.12439	2.4
404.57428	1.4
411.12482	7.7
414.13428	3.5
421.10739	2.9
438.13504	29.5
439.12198	9.8
440.11600	2.8
454.13419	2.3
482.12494	100.0
483.11594	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95808	0.9
56.90457	0.9
56.92737	0.9
59.01375	2.1
61.98837	13.8
68.72400	0.9
68.99829	1.3
69.04008	5.8
69.24239	0.9
70.33819	1.0
78.03498	1.8
85.02959	2.0
87.00909	2.6
88.88876	0.8
98.21886	1.6
108.04610	1.7
110.00080	1.0
118.49593	1.0
122.02499	100.0
123.02847	2.0
136.04057	42.5
137.02524	1.8
148.04031	1.6
150.05630	13.3
178.05148	2.5
187.86093	1.0
191.07158	2.2
210.24538	0.9
224.32169	0.8
237.13362	0.9
269.15567	2.6
271.17044	2.3
273.14966	1.9
285.03836	0.9
287.16327	0.9
315.16037	11.3
316.16602	1.1
350.78113	0.9
359.14957	3.0
377.56760	1.0
482.18167	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	482.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31882	0.4
59.01385	1.5
61.98837	100.0
65.99849	0.5
69.41521	0.7
69.41932	1.4
71.01416	0.6
78.95924	0.5
82.03001	0.8
85.02960	0.5
87.62206	0.4
92.21535	0.4
113.02429	0.5
117.03532	0.5
119.05067	1.6
122.06139	0.6
135.04601	0.8
142.08754	0.9
194.04575	0.5
217.08981	0.4
283.11038	0.7
284.11713	0.7
295.06216	0.7
298.61063	0.5
328.10773	1.1
378.98254	0.5
450.16934	1.7
465.15997	0.6
483.16895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71730	0.7
59.01383	21.1
61.98837	100.0
69.05661	5.6
71.01401	6.9
73.02959	10.9
80.50376	0.9
83.01403	1.9
85.02962	1.6
85.60213	0.8
89.02470	2.2
101.02460	10.5
108.74302	0.8
111.00832	0.9
111.98711	0.8
113.02452	5.1
117.03495	1.4
119.05044	2.6
125.02450	1.1
135.04539	1.4
138.05647	1.0
143.03490	1.4
144.37683	0.9
145.02931	0.9
161.04587	3.2
191.07161	1.0
223.12964	1.1
277.14133	1.0
357.19196	1.4
379.17542	2.3
397.17535	2.6
465.15417	1.2
483.16748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47228	15.2
71.01386	33.8
71.76748	16.9
83.21432	16.2
84.65720	14.4
113.02455	20.8
126.15347	15.1
128.77763	17.8
164.37767	16.9
196.16000	17.4
277.21838	100.0
291.23309	59.9
314.12357	16.9
319.22543	19.2
325.18396	18.5
371.32404	17.7
417.49963	16.9
483.04907	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	482.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25262	99.6
96.95998	20.3
123.04622	13.9
148.99042	15.9
265.14716	22.9
277.21707	100.0
291.23209	49.3
325.18472	18.1
390.93915	18.6
409.60953	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	482.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32744	11.9
69.22684	49.7
73.65624	10.0
77.91093	11.0
78.95935	19.4
90.79273	10.8
93.35622	10.6
96.02721	13.3
104.10707	11.5
128.19066	11.1
128.46732	12.5
152.99629	31.5
197.02762	36.4
245.04378	36.3
254.22058	20.1
254.85321	10.7
277.21753	48.9
291.15884	11.3
325.18494	100.0
450.79642	11.6
474.31308	13.2
482.25412	20.8
483.17236	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	483.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
65.00331	4.5
68.30225	0.4
69.18372	2.7
71.01392	2.6
72.99299	0.4
73.02964	0.5
79.95784	0.5
81.03467	0.6
83.01383	0.7
83.05043	3.4
85.02959	1.7
87.00883	1.9
88.98811	0.8
89.02489	0.5
92.99876	0.5
93.03483	0.9
94.72701	0.5
96.75035	0.4
96.96034	1.8
96.99333	0.9
101.02453	0.6
107.01394	2.5
110.00150	0.6
111.00948	0.5
112.01689	0.6
113.02464	1.8
117.03493	0.5
119.05030	4.6
120.99329	0.5
121.03004	0.8
130.08723	3.3
133.02985	9.0
134.03795	1.1
135.04620	1.0
136.98830	3.1
139.00404	1.3
149.02448	2.0
150.03278	0.9
151.00381	7.3
153.01900	0.8
159.03012	1.4
163.00391	0.7
164.98308	7.9
165.05527	0.9
165.99055	1.3
171.04596	0.5
175.04010	3.2
177.38165	0.4
178.02774	0.5
185.06113	0.8
187.04057	0.6
193.05070	0.7
195.06587	0.6
197.06227	0.6
198.03258	0.6
199.04085	3.1
201.01906	1.1
211.04044	1.0
212.04765	0.5
217.05052	1.3
223.03874	0.6
227.03671	0.7
239.03508	1.2
240.04248	1.3
241.05139	1.4
243.03014	0.7
255.03032	1.3
256.03772	1.5
257.04556	1.3
267.02975	1.4
283.02603	1.5
284.03302	17.6
285.04071	100.0
286.04404	7.1
297.03989	0.6
306.99200	0.3
307.02261	8.8
307.05569	0.9
308.02716	0.7
309.04065	0.6
327.05161	0.8
335.05222	0.5
337.01627	1.0
339.00943	0.9
356.25504	1.0
357.13367	0.6
376.01425	0.5
455.10001	0.9
483.05484	53.8
483.31931	8.9
484.05750	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	483.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01793	0.7
57.03444	0.9
59.01388	7.9
64.94292	0.7
65.00333	1.6
67.01875	1.4
67.46951	0.6
69.60257	2.9
71.01389	7.7
73.02927	0.8
75.00866	0.9
85.02965	6.6
85.47443	0.6
87.00879	8.7
89.00672	1.6
89.02461	2.8
93.03472	1.2
95.01422	0.8
97.02973	1.8
98.21915	1.0
101.02460	2.7
109.02950	0.7
110.00101	2.3
111.00873	1.0
113.02464	2.4
117.03478	3.9
119.03465	1.2
119.04997	1.6
120.02221	0.8
136.98810	3.1
137.02455	2.3
139.00362	1.6
143.05014	0.8
145.02983	1.6
149.02415	1.0
159.03017	7.2
161.02397	1.6
163.00409	10.3
164.01152	2.2
164.98315	1.0
165.01962	2.1
165.99049	1.7
166.99849	0.8
171.04527	0.9
177.01936	2.0
179.03481	1.4
185.06114	1.9
187.04034	4.1
189.01840	0.9
190.02740	2.9
190.99834	1.4
195.04442	0.9
199.04048	1.0
200.04776	2.0
205.05049	2.1
207.02954	1.5
211.04108	1.8
212.04805	1.7
213.05534	4.5
214.02705	1.9
215.03346	1.1
227.03513	2.2
228.04401	1.1
229.05124	1.2
239.03488	2.3
240.04250	1.2
241.05135	2.4
255.03041	4.4
256.03714	0.9
257.04480	1.3
261.01709	1.0
267.02942	1.0
283.02579	9.7
283.05850	1.5
284.03278	75.5
285.04034	50.4
286.04245	3.2
303.19629	3.4
306.01523	5.1
307.02252	26.3
308.02548	1.5
319.02441	1.1
321.20645	1.6
339.01303	1.5
379.04416	1.5
394.03064	1.3
466.05090	2.1
483.05487	100.0
483.25940	29.7
484.05881	8.8
484.26389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37344	1.0
68.35102	0.9
71.42204	1.4
72.00912	6.9
74.02475	11.7
87.15301	1.0
114.20544	0.9
116.05077	34.0
117.05399	2.4
119.93503	1.2
130.06635	3.5
142.06653	9.0
143.06949	1.1
159.09320	8.6
165.93872	1.1
167.04753	1.7
186.05515	1.5
203.08282	100.0
204.08612	9.0
205.08838	6.5
241.03859	4.3
267.88608	1.0
279.00443	4.8
437.91647	1.0
445.99817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13671	1.0
63.73854	1.3
65.00338	4.4
65.99848	1.7
68.99831	1.7
69.21755	6.0
71.63123	1.1
106.00624	3.8
109.02908	1.3
115.05582	1.3
120.54926	1.1
130.08752	14.3
134.00104	10.9
136.00362	2.7
136.98869	1.4
141.07138	2.0
145.06604	5.7
149.99660	1.4
156.05824	1.4
161.99611	11.6
163.00366	3.3
163.99989	1.4
165.00647	3.0
169.06609	6.9
171.04523	10.0
171.08124	2.8
173.05957	1.8
176.01176	2.4
177.01947	1.6
189.05573	2.4
189.99091	30.9
193.03508	1.3
193.06522	2.8
195.04524	1.4
195.08162	3.3
197.06140	10.6
202.99854	10.7
207.08183	1.4
209.06126	1.5
211.07718	1.5
213.05580	2.0
219.08249	1.7
221.05988	2.9
223.07718	1.4
225.05588	4.3
235.07684	1.9
237.05589	1.6
239.03278	1.3
239.07101	4.0
247.07755	2.4
249.05554	2.3
255.06570	4.5
261.05557	3.8
263.07071	5.0
264.06888	1.2
265.05072	5.6
266.05835	5.3
267.06512	3.9
268.06232	5.1
269.06851	2.8
270.07642	1.8
279.06628	3.9
282.06973	1.3
290.05801	2.3
291.06659	5.6
293.04498	3.5
294.05331	27.8
294.08264	2.2
295.05988	3.3
296.05557	1.4
296.13150	1.2
307.06067	14.6
308.06494	1.6
321.07437	1.6
324.12363	4.7
325.12308	1.7
335.05630	2.7
352.11911	19.6
378.09512	2.0
393.11246	4.3
395.13058	8.6
411.12381	52.2
412.12640	5.5
421.10834	10.9
439.11874	100.0
440.12155	11.2
483.11267	16.3
483.21136	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	483.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04968	1.7
65.00325	5.9
69.28534	2.9
69.28939	5.8
80.91695	1.5
89.00317	2.0
107.01448	1.4
110.00121	1.8
113.16389	1.5
115.01897	3.0
115.27457	1.7
131.01399	2.8
134.00085	4.7
135.00887	4.9
143.05052	7.3
145.06587	2.3
153.01907	1.6
157.02977	2.5
157.06592	1.6
159.00880	18.4
160.01695	1.4
161.02463	1.8
161.99593	6.2
163.00439	7.7
167.58284	1.4
169.06544	2.9
171.04584	7.2
173.06136	3.4
173.24394	1.5
175.00356	2.1
176.01047	2.9
176.98308	2.4
177.01947	3.5
181.06529	2.0
189.05472	2.0
189.99097	13.8
190.99641	1.5
193.06538	2.7
195.08147	3.2
197.06093	4.8
201.01927	3.7
202.99881	79.3
203.08582	1.5
204.00279	3.1
211.55736	1.7
216.00589	2.4
219.08121	2.6
221.06007	3.5
223.07707	4.4
225.05635	9.5
229.01260	1.8
235.07700	2.3
247.07635	4.8
249.05481	2.5
255.06667	5.7
263.07034	5.3
265.05075	24.8
266.05597	5.1
267.03888	1.8
267.06598	11.4
269.04495	3.6
270.07651	2.2
291.06616	15.6
292.03864	2.7
292.07227	1.7
293.04437	2.0
294.05359	12.5
295.06061	7.2
305.08224	4.8
307.06146	100.0
308.06467	8.4
311.05560	2.1
317.04657	2.1
330.45956	1.7
333.07693	7.3
335.05713	10.9
336.89069	1.6
337.07541	1.9
351.13864	3.1
353.11856	2.7
379.04669	3.3
393.11597	1.7
395.12900	22.7
396.13541	2.4
397.10736	4.8
411.12454	31.9
412.12698	2.7
421.10733	5.2
439.11887	55.8
440.12363	7.1
441.09933	3.6
483.10971	75.9
484.11133	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	483.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10359	1.0
65.00326	6.5
68.46432	1.1
68.99823	2.0
80.54868	1.1
85.75204	1.1
95.01454	1.5
103.01900	1.5
106.00645	2.3
115.01904	3.0
115.05562	1.4
117.03484	1.7
119.01368	1.4
131.01373	2.7
134.00136	4.1
135.00902	3.4
136.98817	1.1
141.07088	1.8
143.05034	5.5
145.06549	2.0
147.00900	1.4
153.07063	1.2
157.02943	2.0
157.06613	1.2
159.00890	16.8
160.01662	1.4
161.02466	2.0
161.99628	6.1
163.00415	5.5
169.06607	1.7
171.04504	7.5
173.06122	2.5
175.00339	1.5
176.01155	2.6
177.01950	2.4
181.06590	1.2
183.71442	1.1
187.00386	2.6
189.05682	2.0
189.99110	17.0
190.99367	1.1
193.06639	3.0
195.08098	2.8
197.06099	9.2
201.01878	2.6
202.99887	70.4
204.00323	2.8
205.06569	1.5
211.07671	1.9
213.05611	1.3
219.08211	3.4
221.06018	3.3
223.07585	3.5
225.05556	7.8
226.05966	1.4
227.03441	1.2
229.01434	2.4
235.07701	2.5
237.05574	2.3
239.07193	1.6
242.08252	2.6
247.07686	4.4
249.05605	1.6
255.06560	6.2
261.05615	2.6
263.07108	4.2
265.05054	24.1
266.05692	4.5
267.06650	7.7
270.07773	4.9
276.07816	1.4
279.06555	1.4
281.04413	1.8
290.05759	1.8
291.06686	13.3
292.03763	2.6
292.07047	1.7
293.04514	3.3
294.05319	11.9
295.06046	3.6
305.04904	1.8
305.08231	6.4
307.06137	100.0
308.06458	7.2
309.12488	1.4
317.04587	2.3
325.12418	2.2
333.07574	8.0
335.05603	10.1
353.11868	2.1
367.13052	2.6
369.11246	2.2
379.04950	1.6
383.12784	3.2
393.11572	1.5
395.07693	1.8
395.12906	23.4
396.13608	2.2
397.10867	4.4
411.12424	45.2
412.12741	4.1
421.10828	4.9
439.11884	48.3
440.12238	3.5
441.09897	2.2
483.10898	75.3
484.11237	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	483.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09609	1.0
57.03432	1.7
59.01382	9.3
61.98835	1.9
63.02192	0.9
65.00324	1.4
71.01376	6.1
71.41840	1.0
72.99320	1.0
73.02931	1.9
79.95742	3.8
81.03472	1.0
82.95414	1.6
83.01398	1.6
85.02952	3.8
87.00890	1.9
87.46837	0.8
89.02465	3.3
89.59947	0.8
91.01896	6.5
93.03461	1.0
95.01421	1.9
96.59557	0.9
96.96032	7.1
97.02994	0.9
101.02451	4.3
107.01402	1.7
108.02177	5.3
109.02916	1.1
110.00110	1.0
111.00900	1.6
113.02460	3.0
117.97356	1.1
119.03456	1.5
123.00924	1.7
123.04536	28.1
125.02445	2.1
135.06673	1.7
136.98830	1.6
139.00455	1.0
141.01910	1.4
141.23849	0.9
151.00360	3.1
152.01169	6.4
153.01971	2.0
161.02394	1.0
161.14285	1.0
164.98256	1.4
166.02718	2.6
167.03502	82.6
168.03902	1.7
171.04274	0.9
181.05107	1.3
204.92271	1.2
209.04546	12.7
269.06693	2.9
283.02469	3.5
284.03159	4.6
306.01425	1.1
311.07809	2.3
321.03775	1.2
322.99564	16.9
324.00034	1.3
384.96054	1.4
402.95261	18.9
447.15070	100.0
448.15472	6.4
449.46426	1.0
482.90958	3.6
483.08365	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.4
61.98811	3.2
64.55569	1.2
65.73811	1.6
69.52008	6.6
71.01390	18.2
72.99310	1.7
73.02953	12.2
77.55291	1.4
80.47917	1.4
81.17157	1.4
85.02975	6.7
87.00872	3.5
89.02452	19.7
95.01398	2.3
96.96018	1.7
97.02953	4.9
99.00892	40.9
101.02456	6.8
112.04338	1.3
113.02462	16.9
119.03476	3.8
119.05069	2.0
121.02960	2.2
123.04546	14.2
123.08186	2.4
131.03513	2.8
135.04539	23.6
147.91875	1.6
149.04565	8.3
150.03209	4.6
153.05568	19.4
161.04581	2.9
164.98250	2.6
175.03775	1.7
181.01357	1.5
191.05598	8.8
201.05873	3.0
205.01210	3.2
207.02759	4.3
249.06148	2.5
283.36343	1.7
315.10880	10.0
319.08020	17.8
321.09845	1.5
337.09073	6.8
344.96564	1.5
354.09991	1.4
385.94888	1.6
445.13278	1.5
447.15097	100.0
448.15387	5.8
483.14825	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	483.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15988	0.5
51.01876	0.6
52.16852	0.5
54.02502	0.6
59.01373	6.8
60.28332	0.6
62.62188	0.6
69.03464	0.7
71.01386	9.6
71.25048	0.7
73.02950	5.6
81.03483	0.6
83.01387	1.2
84.02168	0.5
85.02953	5.1
87.00894	0.8
89.02466	0.8
91.05557	0.7
95.01390	1.0
95.05037	0.5
97.02950	16.7
99.00887	1.5
101.02438	1.5
107.05032	0.7
109.02966	1.3
112.01683	1.2
113.02460	10.5
121.02972	5.0
122.03765	2.7
123.04534	44.7
124.04861	0.8
125.02426	2.3
127.04038	0.9
135.04527	9.4
141.00584	0.6
141.01801	1.7
149.01053	0.5
149.02191	0.9
150.03250	9.2
151.03972	1.9
152.04739	3.2
153.05585	80.1
154.04764	0.6
154.05917	2.8
163.02480	0.9
163.03899	1.2
165.01767	0.7
166.29153	0.6
173.02197	2.4
175.03743	4.5
177.01746	0.9
177.05441	0.7
187.03827	2.2
191.03329	1.5
193.03365	3.8
193.04909	2.2
193.97765	0.5
195.01488	0.8
205.01193	16.7
205.03130	1.0
207.02739	21.4
208.02977	0.6
215.03278	1.1
217.04956	2.7
219.02800	2.5
231.06514	1.0
235.04507	3.4
235.05971	4.1
236.04700	0.5
237.03801	1.1
237.07613	2.7
241.04887	1.2
243.06326	1.7
245.04341	1.5
257.06696	0.6
271.05917	3.7
289.07047	2.6
297.09665	0.8
319.08002	73.1
320.08258	3.7
337.09076	38.9
338.09302	2.7
345.67889	0.6
359.48834	0.6
363.07071	1.2
381.08112	0.8
447.14972	1.4
483.14700	100.0
484.14868	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	483.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79873	0.3
57.63930	0.3
59.01386	100.0
60.01732	0.6
60.90401	0.3
61.56958	0.3
68.99799	0.3
69.42329	1.1
71.01395	2.4
74.02467	0.6
84.95190	0.3
85.02950	0.4
87.00908	1.0
96.75851	0.3
98.21919	0.4
103.60126	0.3
109.02989	0.3
111.00900	5.3
111.01588	0.5
117.03456	0.6
119.05078	1.4
121.03010	0.9
135.04543	0.6
167.61443	0.3
173.00980	0.5
175.04074	0.4
229.08743	0.5
349.21671	0.3
381.11996	0.6
423.13016	0.6
437.12219	1.6
437.63245	0.4
439.32388	1.1
465.15796	0.8
467.13696	0.6
483.21417	0.4
483.27472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.4
60.28765	3.7
61.98833	11.8
69.14067	26.0
71.01383	14.4
75.00860	5.4
81.03455	4.4
82.16586	4.0
83.01388	6.4
84.25951	3.6
85.02977	15.8
86.77212	3.4
93.03484	5.0
95.01402	6.5
99.04548	4.0
101.02455	6.1
109.02950	63.4
113.02463	15.1
117.03456	12.5
119.05032	35.3
121.06606	4.8
133.02046	7.1
133.02983	100.0
133.37585	4.0
134.03400	7.1
135.04565	40.9
143.05110	4.1
147.08229	4.6
150.03320	4.3
151.04018	7.9
153.01926	4.8
159.04588	7.8
161.02464	11.2
165.05687	4.1
172.05283	4.2
174.03238	13.0
175.02632	4.7
175.03963	20.3
177.01929	14.0
187.04028	8.2
187.07603	8.3
189.05453	4.2
199.03998	22.8
200.04826	8.4
201.02003	8.8
203.03513	9.5
211.03888	5.0
215.03519	5.9
215.14336	4.4
216.04271	9.2
217.05016	12.9
234.45216	3.8
243.02954	10.0
252.04243	6.2
253.04979	5.0
254.06020	3.9
256.03650	10.9
259.13467	6.0
263.07230	4.3
271.02548	16.6
277.05136	10.9
277.14340	4.7
278.47244	4.5
291.06519	12.9
300.02820	8.0
305.08243	7.4
305.14020	26.8
311.12933	6.3
329.13977	41.5
338.26996	9.4
342.03287	4.1
345.13016	5.4
347.15079	15.8
373.12961	6.6
393.17200	6.2
400.73361	5.1
403.15311	6.9
419.15015	6.9
421.16629	72.1
422.16815	10.7
429.12149	9.2
437.16122	5.3
439.17804	30.8
447.14096	6.2
465.15521	93.4
466.15796	11.2
482.31290	6.9
483.16397	80.8
483.31290	19.8
484.17441	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	483.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.5
59.01389	100.0
60.13850	4.5
71.01392	82.6
71.27184	3.7
72.99297	5.1
73.02950	25.0
83.01395	7.3
84.47559	3.9
85.02959	26.3
87.00899	7.8
89.02453	66.5
93.03419	4.6
94.93633	4.1
95.88290	4.2
98.21794	9.0
99.00871	7.1
101.02454	69.4
113.02453	33.6
119.03488	29.1
119.05036	11.4
125.02380	7.0
131.03526	11.7
135.04570	7.4
137.02461	4.8
143.03491	11.6
150.03200	4.4
161.04578	29.4
162.24950	4.6
179.05632	61.6
197.04129	4.0
221.06660	14.2
247.81107	4.2
265.93982	3.9
337.04575	4.6
423.18814	71.1
483.21457	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	483.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89064	8.3
59.01377	34.5
59.09095	9.6
61.98833	83.4
64.17049	8.6
70.44232	18.1
111.00896	11.1
115.04043	14.4
119.04996	9.3
121.02977	14.1
126.67746	11.9
188.12294	8.8
284.03247	22.7
285.04074	26.2
483.05338	36.4
483.21393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62055	7.5
68.46845	7.9
70.75729	14.3
75.52103	7.1
85.75111	7.9
87.04520	100.0
90.56042	8.3
108.05057	8.3
115.04017	33.3
120.31111	8.1
144.18398	8.3
161.04926	8.0
380.04468	9.3
462.26324	9.0
483.21600	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	483.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01252	18.7
96.96002	15.7
105.13144	16.8
115.04067	19.8
119.05050	22.5
170.88408	27.6
235.47990	15.7
284.03226	36.3
285.04120	100.0
286.63797	17.6
307.01865	24.3
312.18179	18.1
483.05612	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39975	24.8
59.01377	34.4
70.98888	43.6
73.90041	24.4
80.51587	30.7
85.40495	24.4
93.03496	56.0
114.20543	22.3
119.40153	24.4
137.02460	64.0
174.07965	25.3
214.80713	29.7
221.99126	35.9
264.88443	25.6
284.03180	42.1
285.04007	89.3
302.09537	30.4
426.75314	29.2
451.35068	47.1
483.05460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49817	0.6
54.02041	0.6
57.03449	0.6
59.01387	27.1
60.99315	1.6
61.98808	0.9
69.57466	2.0
71.01390	2.8
72.00922	2.2
72.04551	2.5
73.02961	0.8
74.02483	83.9
74.98355	0.7
83.05035	0.9
84.04568	0.8
85.02966	0.9
86.02509	1.4
87.00880	0.9
89.02462	2.0
97.06571	0.7
101.02435	1.6
104.03547	15.8
113.02469	0.8
119.03574	0.7
119.05055	3.9
129.01917	0.6
133.02913	1.5
135.04543	2.1
145.13142	0.6
156.71991	0.6
187.07652	0.9
213.09200	0.8
229.08733	1.1
245.11778	1.2
247.20763	5.0
273.18701	3.4
274.21960	1.0
286.21942	1.3
290.21686	1.1
290.24927	3.0
291.19626	2.6
303.69968	0.7
304.22916	5.2
308.22424	1.3
309.20972	0.7
323.47379	0.7
334.23923	2.9
340.20294	0.8
348.21747	2.5
366.22769	2.1
373.24973	0.8
391.26147	8.5
396.23932	2.6
403.25961	0.7
409.26758	0.7
421.27197	9.2
422.27548	0.8
423.25131	3.2
453.26132	10.6
454.26471	0.8
465.15515	2.3
465.26196	4.1
483.27155	100.0
484.27515	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	483.2732
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.03385	0.4
51.38726	0.4
54.35227	0.4
69.89711	0.4
70.91300	0.7
71.61034	0.4
73.39989	0.4
78.95906	7.3
79.63116	0.4
96.96986	0.7
115.93810	0.4
142.45956	0.4
152.06425	0.4
152.99603	14.6
171.00690	1.0
227.03333	4.1
237.22292	0.4
245.04382	1.3
255.23314	100.0
256.23654	6.1
479.81259	0.5
483.27313	30.3
484.27664	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07328	22.9
53.87020	21.0
61.98840	36.8
64.89539	20.2
69.27022	51.5
69.27428	100.0
107.70044	22.7
119.05053	28.4
119.94038	21.4
203.54536	21.5
208.28877	24.2
247.15292	24.7
284.03256	36.3
285.04077	64.0
483.05682	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12820	13.4
54.85923	12.6
59.78859	14.1
69.10748	77.2
87.04522	100.0
114.85233	16.2
115.04000	43.9
202.44795	14.5
284.03308	49.8
285.04041	44.9
287.50558	14.2
483.05573	62.4
494.65836	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	484.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31646	0.5
55.48053	0.4
58.08303	0.5
63.95437	0.4
65.00328	0.9
65.99848	0.4
68.46471	0.5
70.28930	0.6
70.29280	0.6
73.56902	0.6
84.31348	0.6
92.99300	0.5
95.67749	0.6
96.00883	0.5
99.81870	0.5
110.02469	2.7
122.02480	1.0
123.03277	4.8
134.02481	3.3
135.03311	5.5
136.00412	1.6
138.01981	1.9
151.02759	4.5
155.02258	1.0
166.01468	1.6
171.04552	0.7
176.00056	0.7
192.03024	2.7
200.07207	1.0
213.05544	0.5
224.07204	0.6
226.08774	1.9
228.06583	1.2
242.08258	37.3
243.08562	2.2
252.06682	1.6
270.07730	100.0
271.08112	4.4
280.06021	0.8
296.05814	1.0
378.09772	1.0
386.75476	0.5
484.13235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.01171	1.2
61.98816	0.7
65.00317	0.7
69.35420	1.8
69.35825	1.3
71.99113	0.7
72.97540	3.4
73.98324	12.4
74.00706	4.6
74.99133	0.9
83.05059	1.2
84.02174	9.6
85.02958	2.7
86.02493	8.1
87.02756	1.9
89.00677	100.0
90.01020	0.9
95.56124	0.6
109.33157	0.6
110.00103	1.4
114.03852	4.3
115.02247	44.5
116.02569	0.9
119.05036	1.3
120.01259	5.4
139.00365	0.7
140.05463	0.9
149.04279	2.2
151.02263	2.1
153.01970	0.8
156.99229	0.7
158.02834	3.1
162.97339	0.6
164.98236	1.6
165.99055	1.1
166.99886	1.3
176.03885	18.8
177.02353	0.6
177.03758	3.7
191.10803	0.8
199.11258	1.6
202.05464	2.4
215.18481	0.7
233.10065	2.1
259.11685	1.4
285.03842	2.0
286.04630	2.2
287.05554	1.6
289.14340	4.5
315.14197	2.0
343.13757	37.3
344.14056	2.8
361.14819	23.0
362.15070	1.9
377.50610	0.7
379.15839	3.4
386.17953	5.5
397.16855	1.1
404.18982	2.7
430.16956	8.2
431.17136	0.8
448.18015	13.6
449.18390	1.4
466.18997	10.8
484.20084	3.7
485.06818	6.5
496.31772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33027	0.5
59.01376	4.3
61.98835	100.0
71.01375	2.3
72.01713	0.6
73.02944	0.9
83.01403	0.5
85.02966	0.5
89.02477	1.7
101.02467	1.3
113.02462	0.8
131.03586	0.7
290.16965	0.6
374.41000	0.6
422.21286	1.1
423.21759	1.8
424.21667	4.1
459.32251	0.5
485.05197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19785	0.4
55.68612	0.3
59.01381	0.4
61.98836	100.0
70.86117	0.5
119.05056	0.4
122.93748	0.3
153.70677	0.3
181.95166	0.3
267.67599	0.4
328.80609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.1
61.98836	100.0
71.40815	1.4
73.02448	1.3
74.54385	1.2
77.38639	1.2
95.56759	1.3
119.04965	1.4
122.02493	1.3
127.50647	1.2
200.61470	1.4
200.64392	1.3
229.33917	1.2
259.45016	1.3
264.67770	1.2
307.83838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75299	1.9
61.04796	2.4
61.98824	3.1
66.20656	2.1
66.30974	1.9
67.96050	1.9
71.59296	1.9
72.00891	3.8
73.04078	13.5
74.02480	34.5
74.82355	2.2
76.05127	2.3
84.55384	2.0
86.02469	2.5
87.05662	5.7
98.21806	4.3
104.03549	16.8
126.09317	2.8
130.08760	24.8
133.78160	1.9
141.10344	5.3
143.11920	46.7
148.33020	1.9
152.07220	2.7
153.10428	2.5
155.11922	23.6
156.91167	1.9
169.09848	8.8
182.80128	2.1
187.10873	9.5
200.14067	58.7
212.14026	12.5
226.21765	44.1
227.22241	3.5
230.15192	3.4
266.21399	3.0
283.23920	6.0
323.23361	3.9
326.18646	2.8
379.29721	2.6
397.30792	7.8
422.34094	13.3
454.32907	77.8
455.33441	6.0
466.33054	4.6
484.33972	100.0
485.34225	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	485.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76547	2.6
59.01389	7.9
64.41487	2.7
71.01377	14.6
72.99303	17.9
82.82870	2.6
85.02925	4.0
89.03984	2.9
89.80966	2.8
90.97155	6.6
96.96027	3.0
99.00887	5.0
113.02435	4.1
118.96649	32.2
130.16612	2.7
132.98210	35.8
136.01662	47.0
140.98691	3.8
142.96661	3.3
146.96056	3.0
151.04019	50.5
156.98224	15.0
158.99765	8.1
160.97678	29.3
162.28720	3.0
168.98186	20.4
170.99780	7.6
182.99770	5.6
184.97690	15.2
185.01375	3.2
186.99176	5.5
188.97200	22.2
189.00685	4.2
192.98225	12.7
198.99286	5.8
207.96902	12.7
210.99263	66.7
211.01135	5.6
212.97147	5.8
214.98744	11.4
225.00809	4.0
229.00388	5.5
233.98535	7.2
239.84099	3.2
258.98907	2.8
267.20551	3.1
272.99304	100.0
273.99704	3.1
277.00269	4.7
280.99789	6.6
281.02802	3.1
287.99527	5.5
303.01804	16.7
306.76923	3.1
309.02957	18.4
326.26535	2.9
365.02045	18.6
384.26550	3.5
425.04047	58.3
426.04413	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	485.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24650	3.5
56.07192	3.1
59.01374	4.9
65.00328	82.6
68.99827	12.2
69.94606	11.6
75.95556	2.9
83.01389	9.1
92.99812	5.9
93.03434	5.0
95.01400	12.8
96.96083	4.0
96.99326	13.6
98.22570	6.6
107.01360	5.6
109.02956	9.5
111.00902	3.4
117.03503	5.4
120.99342	13.5
124.01676	5.8
125.99338	3.4
133.02974	13.5
135.00899	18.9
136.98820	100.0
137.02437	24.1
145.02956	6.6
145.06567	6.3
147.00905	7.0
151.04060	5.0
159.00816	4.1
161.02502	7.0
163.00391	10.7
164.98273	4.0
169.06653	4.4
171.04550	12.6
173.06093	23.8
174.03281	5.1
175.03973	8.7
177.01935	3.5
187.00452	9.9
188.01244	3.6
189.05554	3.8
190.99940	10.3
192.97789	45.6
195.08192	5.2
197.06148	16.2
199.03952	8.0
202.99959	5.9
203.03580	4.0
205.01563	5.2
207.08125	5.2
213.05664	6.1
215.07159	4.4
217.05106	18.2
219.08305	5.0
221.06079	5.7
223.07680	12.5
225.05536	17.0
229.01465	11.0
230.02211	10.1
233.00914	6.3
239.07246	7.6
241.05069	63.5
242.05655	4.1
243.06653	34.0
245.04547	27.6
247.07666	12.0
251.07124	7.1
253.05101	4.7
258.98746	5.1
261.05310	3.7
263.07025	7.7
267.06674	13.2
267.69144	3.3
269.08237	9.0
273.03912	20.8
275.07098	5.4
279.16122	3.9
290.05984	3.8
291.06659	21.9
292.06909	5.3
293.08173	9.6
295.06104	36.6
297.04068	23.6
301.05054	4.9
306.20526	3.5
317.04605	8.9
319.06195	25.6
333.07822	12.2
335.05652	11.8
335.09271	4.8
345.03964	6.3
351.08762	4.2
361.07211	5.0
363.05185	44.7
379.08234	27.9
381.06256	60.6
382.06396	4.3
395.12796	6.0
423.12347	18.6
449.10297	4.5
467.11435	28.6
485.12411	46.2
486.12762	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	485.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41430	1.0
57.03445	1.2
59.01385	100.0
60.01698	1.4
61.98833	2.4
68.90664	1.1
69.03469	1.2
70.02652	2.7
71.01392	15.2
73.02969	5.5
75.56603	0.8
79.95778	1.0
83.01395	3.6
84.95130	2.3
85.02962	7.4
87.00893	1.4
89.00667	4.5
89.02444	6.5
95.01388	1.7
96.96019	5.1
99.00876	1.7
101.02448	13.8
106.13855	1.1
109.02982	1.2
111.00882	1.7
113.02469	6.3
113.06107	1.2
115.04115	1.0
117.03493	1.4
119.03535	2.8
119.05080	2.2
121.02962	4.6
125.02502	1.7
128.03555	4.0
129.10345	1.3
130.08749	2.8
133.02994	1.2
135.04523	3.7
151.03912	1.1
153.01956	2.1
159.03058	1.7
161.04541	4.9
177.02255	1.4
199.18233	1.2
235.06134	1.3
251.09200	2.3
251.11407	26.1
284.03162	1.3
285.18121	3.0
287.05640	2.9
293.12421	10.5
300.96948	0.9
399.13089	2.3
429.11798	1.3
441.14127	2.2
449.11194	1.6
467.17264	2.6
484.19553	1.6
484.69235	3.4
485.18582	4.2
485.30426	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	485.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
57.03450	1.6
59.01384	30.8
59.83199	0.7
69.77895	1.9
71.01388	23.2
72.99319	1.2
73.02959	9.0
81.03466	1.0
83.01398	2.1
85.02956	7.5
86.00101	1.1
87.00883	7.0
89.02454	11.9
93.03461	0.9
95.01385	2.3
96.96012	4.4
98.21941	1.2
99.00238	0.6
99.00884	2.8
101.02457	15.2
112.41821	0.8
113.02455	10.3
119.03504	4.3
123.04573	0.9
131.03542	5.5
133.04100	1.1
136.00433	2.1
142.89430	0.7
143.03503	1.0
145.07738	1.5
146.04826	1.3
159.03046	1.1
159.09319	1.1
160.06432	8.0
161.04594	7.0
161.07217	65.3
162.07570	2.1
171.04521	0.7
175.07336	1.4
175.08783	24.6
176.09229	0.7
179.05663	1.1
187.08788	2.7
189.06715	99.7
190.05354	0.7
190.07008	4.2
203.08287	22.9
221.06712	9.0
229.09830	1.3
231.07756	0.9
240.06592	3.3
277.11972	1.1
305.11456	11.9
323.12430	3.0
325.11945	2.6
341.05127	0.7
369.10767	1.1
386.03592	0.7
467.16672	2.5
485.17831	100.0
486.18060	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	485.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01377	2.3
69.03461	1.5
69.36728	4.1
78.31493	0.8
78.87891	0.7
83.01390	1.4
85.02916	1.3
87.00864	0.7
87.04517	1.0
93.03481	0.9
95.01388	2.2
98.21857	1.3
109.02911	0.9
113.02509	1.3
113.06094	1.2
115.04022	5.7
117.03526	1.0
119.05077	0.8
121.06589	0.7
122.32233	0.8
123.04556	2.7
123.08163	1.6
127.07617	0.9
127.97231	0.8
130.04366	0.8
133.02974	3.4
134.03751	3.0
135.04555	3.8
136.01683	2.0
137.06082	0.9
137.09753	1.3
139.04027	3.4
147.08202	1.9
148.05339	0.9
149.06113	1.7
151.04013	9.7
151.07741	3.8
153.01939	1.3
157.46500	0.7
158.03728	3.9
159.04547	4.6
161.02461	2.2
163.07744	0.9
165.05562	3.3
171.46028	1.0
172.05331	10.6
173.06090	6.3
174.03264	0.7
175.03978	2.7
177.02020	0.8
185.96461	0.9
187.04076	2.6
187.07661	100.0
188.08121	3.5
189.05547	1.0
191.03590	1.2
191.07135	2.6
199.04042	1.2
201.05605	20.8
202.06372	46.3
203.06911	2.5
203.10869	2.1
207.06610	2.0
209.08200	11.6
213.09120	1.4
215.07213	3.4
228.04387	0.8
231.10277	66.4
232.10622	3.2
233.08235	7.3
235.06114	3.5
251.09261	3.5
255.10342	1.0
257.08231	6.9
279.08835	2.9
313.03647	1.1
328.05862	1.3
332.63943	0.8
369.09793	0.9
449.16217	2.1
467.17194	19.8
468.17688	1.6
485.18170	2.7
485.32706	3.4
486.17795	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	485.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.5
58.50000	3.1
59.01382	30.9
59.79752	3.2
61.98811	3.6
62.43209	3.0
69.03504	3.2
69.53268	14.1
71.01382	9.4
73.80054	3.4
78.95889	3.4
85.02959	7.3
85.92389	3.3
87.44650	3.3
89.02448	12.3
95.01388	4.4
98.22575	5.7
101.02449	9.0
109.02995	6.4
115.04016	15.3
119.03549	5.2
119.05042	7.3
121.02943	3.9
121.06606	5.6
133.02963	19.4
134.03743	10.8
135.04550	19.9
136.01636	6.4
136.98860	4.4
137.02441	4.7
147.08176	11.7
149.06070	3.2
151.03992	25.1
153.02013	4.5
158.03751	3.8
159.04544	8.9
160.89218	5.0
161.02460	8.5
162.84003	6.1
164.22363	3.7
165.05551	8.2
172.05319	11.5
173.06070	9.9
175.03975	4.8
177.09210	4.3
187.04091	7.5
187.07668	100.0
188.07971	4.8
189.05568	3.8
191.07162	12.2
198.88289	4.0
201.05617	23.1
202.06400	65.3
203.10825	4.1
205.08630	3.9
209.08237	16.3
215.07152	9.8
231.06709	3.9
231.10249	88.0
232.10541	6.0
233.08186	4.9
235.06137	6.9
249.11166	3.8
251.09300	10.2
257.08176	7.6
279.08698	3.7
310.08249	4.5
314.11545	4.0
376.14178	5.9
449.15503	4.0
467.17102	36.5
485.18402	15.0
485.32825	22.4
486.17813	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	485.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46731	17.7
59.01369	23.0
63.17487	18.9
65.00345	33.4
85.77672	17.9
96.96010	28.6
111.77043	20.7
117.99150	19.5
135.78142	19.1
142.24031	19.0
145.99963	24.0
148.24821	19.6
167.11678	18.8
201.01918	19.5
204.97795	32.5
217.98592	44.6
221.05994	46.3
232.97188	35.3
237.05443	30.6
242.08109	29.8
243.08472	21.5
270.07697	82.7
271.08112	85.7
280.06195	18.9
293.04590	100.0
309.04059	41.0
317.23032	18.8
321.03952	65.1
337.07269	38.0
365.06308	28.2
441.13312	52.8
453.01224	22.4
485.32748	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37745	24.5
59.01380	100.0
69.22404	79.7
69.22829	86.5
70.04581	30.1
77.12773	25.1
83.66563	27.7
122.02470	49.5
185.61348	25.3
203.46773	30.6
243.06847	36.9
308.60770	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	485.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34184	5.2
59.01379	19.9
59.74436	5.5
66.51789	6.1
67.69405	4.8
69.76367	12.7
69.76724	9.9
73.02962	14.3
87.00857	11.7
111.00893	100.0
121.02960	28.1
134.03729	9.5
173.00883	6.4
206.44438	6.2
231.10251	8.9
239.08064	6.0
287.00674	5.8
304.88507	6.3
305.64206	5.8
329.17679	6.9
439.31995	11.3
485.32623	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	485.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82100	1.4
52.82349	1.2
53.80716	1.4
57.03437	3.9
57.53294	1.5
59.01383	16.2
61.98840	2.5
66.35049	1.3
68.99839	1.4
69.03449	2.1
70.18441	1.6
71.01390	18.9
71.32457	1.4
72.99308	11.0
73.02955	2.3
75.00875	24.6
83.40560	1.2
85.02963	23.0
86.24716	1.3
87.00883	9.2
89.02457	2.7
95.01405	2.5
99.00883	6.9
101.02464	2.0
102.46799	1.4
103.00372	5.1
111.00855	2.2
113.02459	20.9
116.01118	2.7
119.05008	3.1
129.01973	2.0
135.04538	7.6
137.09731	10.2
139.11278	1.7
157.01512	2.0
171.10274	11.9
175.02425	4.5
193.03540	4.0
201.11319	2.7
209.11835	1.8
253.14433	1.7
262.43433	1.5
278.37659	1.5
279.37906	1.3
291.19781	2.6
309.20773	4.4
313.13049	3.4
365.07733	1.4
435.21933	1.4
467.23068	2.3
485.23962	100.0
486.24673	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	485.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77936	0.6
57.03453	3.9
59.01390	11.0
61.15123	0.6
67.01868	0.9
69.03452	4.9
71.01388	17.2
72.12855	0.5
72.99315	7.7
73.02943	1.2
75.00879	32.7
76.02197	0.6
83.01402	0.8
85.02469	1.2
85.02955	19.2
87.00891	7.0
88.89312	0.8
89.02459	2.1
95.01382	2.6
98.27115	0.7
98.52479	0.6
99.00919	4.6
101.02433	0.9
103.00383	1.3
111.00883	1.5
112.03868	0.6
113.01712	1.3
113.02457	17.3
115.00417	1.5
115.04026	1.3
116.01125	4.2
116.77601	0.6
117.01969	2.2
117.46458	0.6
121.10223	1.8
122.02472	2.2
123.08238	0.8
125.09724	4.6
129.01990	0.8
133.01466	0.7
135.04512	2.3
139.12312	0.6
151.54004	0.6
157.01442	1.9
165.12907	0.9
171.10297	1.3
175.02518	3.3
185.11824	1.9
203.10919	1.1
209.11736	1.0
211.13409	8.1
231.10315	1.2
239.12912	1.6
263.76080	0.6
277.75726	0.7
291.19711	7.6
292.19992	0.9
309.20731	3.8
322.20706	0.7
467.17032	1.4
467.22977	2.1
485.23965	100.0
486.24301	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	485.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56053	0.5
62.68086	0.4
71.04867	0.5
79.95747	13.4
80.96544	0.7
87.61585	0.4
94.79858	0.4
94.98096	1.2
95.95231	3.4
96.96021	90.1
110.69475	0.4
122.97603	5.2
134.15073	0.5
136.79208	0.5
138.97070	0.9
157.08438	0.5
167.00237	1.1
167.30206	0.5
181.71381	0.4
182.67033	0.4
211.02757	0.8
220.20175	0.4
252.40498	0.4
485.27948	100.0
486.28311	10.3
490.03748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51524	0.8
65.99835	1.1
69.09301	3.5
69.09714	1.8
86.96949	0.7
89.63194	0.8
110.02437	1.0
113.79202	0.8
117.03481	0.8
118.03002	1.6
120.00906	4.3
131.05017	2.1
134.02492	1.7
135.03273	1.2
136.00439	2.1
137.41492	0.8
143.05087	1.1
146.02475	7.9
147.03267	1.4
151.02821	0.8
160.04091	1.0
162.01974	3.1
162.62086	0.9
163.00409	1.2
163.99892	2.8
164.03566	2.6
171.04538	2.2
180.08369	1.0
186.46799	0.8
189.05585	2.6
190.01466	15.0
191.01886	1.1
191.99361	2.3
199.88095	0.9
203.02214	4.9
204.03053	1.2
206.09763	2.0
215.03534	1.1
218.01033	1.2
224.07190	1.2
225.05505	2.6
232.02554	1.8
240.06728	1.2
242.08247	7.4
250.08870	1.1
252.06696	8.9
253.05026	1.2
254.05785	1.2
266.08258	6.8
267.06677	3.3
268.06210	5.2
269.04510	2.0
270.07724	26.3
270.10675	1.3
280.06140	2.0
294.07742	100.0
295.08167	5.1
296.05667	28.0
296.09088	1.1
297.06030	1.1
308.09222	1.3
336.08810	18.9
392.59189	0.8
442.13022	12.1
468.10818	1.1
486.12036	4.9
487.34390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64800	2.0
54.87847	1.7
57.03478	2.5
59.01383	13.1
61.98831	11.6
70.26035	2.8
70.26369	3.0
71.01385	22.0
72.99315	5.4
73.02950	5.5
73.76772	1.8
75.00880	18.0
78.95918	2.1
85.02955	22.7
87.00875	5.5
89.02458	5.6
92.05074	2.0
95.01401	6.4
96.96013	6.6
99.00908	4.4
101.02434	3.1
102.82721	2.0
113.02467	25.8
115.00275	2.1
128.03525	4.0
130.11404	1.9
132.04570	3.1
146.02502	6.6
146.85428	1.9
147.03271	10.5
148.04044	4.1
160.04045	16.1
174.05678	2.4
175.02527	2.4
178.37289	2.0
193.03569	5.0
202.05106	4.8
302.14767	2.2
310.09369	7.8
322.07245	2.2
367.27133	1.7
382.09314	2.2
486.12576	100.0
487.13034	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	486.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03509	1.2
58.28707	1.1
59.01369	1.3
64.01927	3.3
65.00327	3.9
65.99857	31.5
69.19469	6.7
72.32938	1.1
82.03027	1.2
83.01410	1.5
89.61433	1.3
89.99873	2.1
100.67332	1.1
105.02210	1.1
107.01402	3.0
108.00932	3.8
110.02488	2.0
120.00948	2.9
121.99697	1.1
127.55714	1.1
131.58028	1.1
132.00900	1.7
133.01717	1.2
134.02477	4.6
135.08102	1.2
136.00391	2.9
140.16702	1.1
143.05087	1.5
145.06599	1.6
148.00414	1.4
149.01181	1.6
150.01950	1.9
151.00360	6.9
163.99934	1.4
169.06619	1.4
170.06116	3.4
171.04510	7.0
175.99905	33.9
176.03462	2.7
177.00650	2.8
178.01553	2.9
178.24649	1.3
189.00700	3.2
194.06111	2.7
202.01578	1.6
207.06985	1.5
208.07845	2.1
211.07619	1.6
212.07179	3.2
213.05566	2.5
217.08653	1.1
220.02507	4.8
220.07765	1.5
222.05618	3.9
236.07156	2.5
238.05119	3.5
240.06731	3.8
251.05896	3.3
252.06415	2.7
254.08267	1.5
255.06642	20.6
256.07138	1.6
263.05948	1.6
264.06778	2.5
268.06165	7.7
279.05283	3.2
280.06149	40.4
282.07813	2.0
293.06989	5.0
306.07813	1.4
307.04779	3.5
308.05591	5.4
324.08786	21.4
370.10794	2.2
384.12439	3.1
394.11038	1.6
410.14026	4.4
411.10858	3.4
412.11929	68.1
413.12360	6.6
454.12991	100.0
455.13278	10.7
486.15796	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64878	0.4
59.01372	0.5
64.01923	2.4
65.00333	3.7
65.03964	2.8
65.99491	1.0
65.99850	17.9
68.99810	1.9
70.28925	1.1
75.25933	0.5
79.05527	0.4
81.02202	1.1
83.01397	0.8
83.04993	0.4
88.01913	1.1
91.01895	1.8
96.00940	3.4
97.01720	0.5
98.02468	0.6
107.05045	2.5
108.00922	2.5
109.01034	0.6
109.01727	5.7
109.02954	5.9
110.00116	1.2
110.02493	0.8
119.05070	0.7
120.00934	4.3
121.01702	5.1
123.03218	1.3
123.04545	0.6
131.08675	0.9
132.00935	0.6
132.47379	0.5
133.01648	1.1
133.02998	0.5
133.06604	0.8
134.02483	1.7
135.00935	2.3
135.03259	2.1
136.00417	16.2
137.01186	2.2
137.99545	0.8
138.01993	0.8
140.69414	0.5
145.06609	0.8
146.06129	0.5
148.04160	0.6
150.02043	0.6
151.00417	1.1
151.02852	2.7
151.04013	50.3
152.04375	0.9
157.06599	2.7
159.04433	0.8
160.00432	0.6
160.05412	0.6
162.05663	0.5
163.04025	4.7
163.99908	12.0
164.04662	0.5
165.00687	20.0
165.05539	0.6
166.01163	0.7
171.04510	3.9
171.08217	0.7
172.05333	0.5
173.06068	3.3
173.09720	0.9
174.05615	1.5
175.07635	5.6
175.99913	7.9
176.03513	0.8
178.01520	1.6
180.08249	0.8
189.00671	0.7
192.03017	2.1
198.05579	0.7
199.07701	0.8
200.07193	0.8
201.05627	3.1
202.06451	1.1
205.08694	1.8
208.07758	0.7
210.05663	0.9
212.07172	0.6
213.05592	1.1
215.05168	0.9
215.07143	13.3
217.08707	33.4
218.04652	1.6
218.08980	1.7
224.07182	1.6
226.05083	1.9
226.08751	0.8
228.06648	1.2
230.04637	0.9
230.08170	1.1
238.05133	2.1
239.05566	0.7
240.06673	2.9
242.08263	16.1
243.08569	0.9
244.09811	1.1
252.06709	1.7
255.06706	2.8
268.06155	40.2
269.06924	15.0
270.07727	36.3
271.08051	1.2
278.04391	0.6
280.06183	23.1
281.06635	1.6
283.04770	1.1
292.10068	0.6
296.09265	1.1
311.04340	0.7
314.10428	2.0
322.07211	0.8
322.10864	8.0
334.10910	3.0
338.10361	0.7
339.03894	1.7
340.08475	0.7
352.04446	0.6
369.48926	0.5
426.13815	0.8
428.11377	0.8
442.16513	1.5
443.09506	7.0
444.14709	6.4
468.14496	3.7
486.15622	100.0
487.16019	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	486.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
62.42745	0.8
65.00323	3.7
65.99853	13.0
67.87386	0.9
68.99830	2.2
69.35236	4.6
81.02196	2.7
93.03474	13.7
95.59652	0.9
96.00929	5.0
98.02479	1.3
98.21847	1.9
109.01701	10.3
110.00111	2.2
110.02493	2.3
119.05036	7.2
120.00922	7.7
120.04562	1.3
121.01702	9.8
123.03295	3.4
124.00365	2.3
131.03745	1.2
131.05055	3.8
132.05785	1.1
133.05348	2.0
134.02507	3.4
134.06134	4.1
135.00896	1.8
135.03314	6.0
136.00418	20.7
137.01190	3.4
137.99663	1.8
138.01920	2.4
150.01973	1.9
151.02821	4.6
154.05405	1.2
159.06926	1.2
163.00368	9.3
163.99913	17.3
165.00694	44.8
166.01337	2.0
171.04524	3.1
173.06088	1.2
175.99861	1.4
178.01512	1.4
180.08174	1.9
189.00743	1.3
192.03113	2.7
217.09833	4.4
220.04265	1.0
220.73074	1.2
224.07262	3.0
225.05652	2.0
226.05116	3.1
226.08713	2.3
228.06732	2.3
238.05122	1.0
240.06725	8.0
241.05083	3.0
241.07513	1.3
242.08263	40.0
243.08591	2.2
252.06734	1.2
267.06689	12.8
268.06177	65.3
269.06927	34.1
270.07736	100.0
271.08167	6.2
275.60788	1.2
280.06165	4.4
282.07669	1.3
294.04190	1.2
311.05682	3.4
336.08887	4.5
352.10623	1.5
366.09885	3.1
372.08685	1.7
383.10361	2.0
392.12607	12.4
403.13113	8.1
404.13467	1.9
443.16373	1.5
450.14520	1.1
468.15985	1.3
486.16772	68.7
487.17239	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	486.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.4
61.09930	1.1
61.98839	100.0
64.46734	1.2
71.01382	2.8
73.02945	3.1
83.01406	1.3
85.02972	1.5
89.02409	1.0
89.03369	1.0
101.02440	2.2
113.02429	1.9
117.03539	1.6
119.05020	2.4
121.03048	1.3
122.02485	2.0
133.02951	2.1
134.03740	1.7
135.04526	4.6
174.20601	1.2
187.27687	1.1
203.10715	1.4
309.07312	1.5
363.18375	1.4
469.18835	2.0
487.34390	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	486.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59735	0.9
59.58288	1.1
65.21107	0.8
71.18807	0.8
71.39771	1.1
88.04049	59.9
94.87222	0.7
129.97459	0.9
141.44127	0.8
147.08218	1.9
149.09746	1.4
160.08946	1.2
161.09714	1.4
163.11308	4.3
187.11374	2.3
231.99271	0.8
279.13745	1.3
280.14688	2.2
291.69296	0.8
309.22208	2.7
337.21747	100.0
338.22101	10.2
361.73569	0.9
364.29257	0.9
486.27023	10.3
489.94498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
59.01382	7.2
61.98834	0.9
62.09817	0.7
68.99808	2.7
69.03453	1.1
69.24094	4.2
69.51151	0.8
71.01373	3.4
72.99303	1.0
73.02933	2.4
73.43002	0.8
75.00867	1.3
79.95744	1.3
83.01394	1.7
85.02972	6.0
85.74789	0.8
87.00874	2.2
89.02435	2.5
91.01894	2.2
94.43881	0.9
95.01391	1.5
96.96051	4.1
96.96587	1.0
97.02946	1.2
99.00890	5.8
100.34756	0.8
101.02462	2.9
108.02176	1.7
109.02888	1.1
111.00878	2.6
113.02470	6.1
113.99590	15.8
115.00368	6.4
123.04525	12.4
125.02429	1.9
127.00378	3.5
129.01927	2.3
141.01903	1.0
145.03064	0.9
152.01157	2.3
157.01460	4.0
161.02425	2.7
163.03986	1.4
167.03497	22.3
168.03871	0.9
169.01468	1.8
174.01697	14.7
175.02405	1.8
179.03500	1.1
243.12852	0.8
269.06628	1.1
277.05658	25.7
288.01523	0.9
319.06522	1.0
337.07767	27.2
338.08072	1.4
351.10034	0.9
401.11276	1.0
427.08878	8.8
487.10941	100.0
488.11139	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	487.1248
Annotation	Glycitein 6''-O-acetylglucoside
Peak:m/z	Relative Intensity
50.53717	0.6
59.01379	2.0
59.89758	0.6
65.00332	2.2
70.05338	0.6
70.05670	1.4
75.38539	0.7
78.46743	0.7
80.10902	0.6
82.27843	0.6
82.51431	0.6
86.32246	0.7
89.90508	0.5
91.71844	0.6
92.99815	6.6
101.03980	0.8
110.00119	2.9
120.99350	3.4
135.60820	0.7
136.98824	3.0
137.99611	0.9
140.01128	1.4
145.02965	17.4
146.03345	0.8
147.41621	0.6
153.01942	2.5
155.03479	1.1
156.75130	0.8
163.00381	2.2
165.99100	1.9
167.04959	0.9
171.04543	11.6
183.04543	0.8
184.05290	1.3
195.04523	3.6
198.03249	0.8
211.04008	2.7
216.46317	0.6
239.03511	60.1
240.03908	2.9
267.02997	100.0
268.03748	52.3
269.04239	4.1
282.05350	24.0
283.06104	22.1
284.06448	2.2
295.06219	1.4
341.08813	2.4
386.34030	0.7
472.10187	10.7
487.12488	52.6
488.12851	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	487.125
Annotation	Glycitein 6''-O-acetylglucoside
Peak:m/z	Relative Intensity
59.01390	6.8
65.00340	2.3
73.02956	3.4
81.89459	1.1
86.13336	1.1
101.02467	1.7
110.00108	3.4
119.31270	1.1
130.45944	1.0
135.00929	1.3
136.98834	1.6
137.99614	1.9
145.02965	3.7
163.00394	10.1
165.99054	2.2
171.04507	3.3
184.05296	2.4
193.06618	2.0
196.05353	1.2
198.03287	1.6
209.06151	2.2
211.04092	7.0
224.92570	1.4
239.03497	18.3
240.04185	2.4
253.05074	1.6
267.03015	20.6
268.03793	100.0
269.04123	6.9
281.04630	5.3
282.05331	1.6
283.06143	79.9
284.06439	5.7
293.04626	2.4
310.04877	3.3
325.07297	2.3
427.10083	1.4
472.10046	2.0
487.12192	2.8
487.25815	1.4
493.36459	1.2
511.41077	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	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73902	3.4
59.01387	100.0
63.33212	3.9
64.76048	3.6
69.06955	7.2
69.07360	24.0
71.01405	17.9
73.02952	12.6
85.02962	8.2
96.96043	4.1
98.22609	9.5
99.00889	8.7
101.02455	13.2
101.89882	3.4
110.15447	3.9
113.02402	8.8
123.15359	4.1
149.04321	3.7
159.02887	3.9
161.04541	5.8
193.12349	4.9
197.04420	3.9
269.10251	11.9
274.66589	3.7
323.16510	4.3
401.14441	27.7
443.15701	37.7
473.26831	4.3
487.07303	8.3
499.35269	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	487.1464
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
50.37796	0.6
57.03483	0.6
59.01380	3.9
71.01390	3.2
73.02934	0.8
77.80659	0.5
85.02964	4.3
89.02450	0.9
95.01389	1.4
95.16894	0.6
96.95970	0.7
101.02436	0.8
107.05018	1.4
109.02914	0.8
113.02463	6.4
117.03448	0.8
119.05010	0.9
123.04531	0.7
131.21759	0.6
132.02217	0.6
133.02968	9.3
134.03780	3.9
135.04538	63.6
136.04878	2.0
145.02979	1.9
161.02448	20.2
162.02856	0.7
163.04083	0.8
179.03510	100.0
180.03865	3.7
245.04626	0.8
265.10663	0.7
273.36658	0.6
382.15820	0.7
487.14621	1.9
502.45807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01381	13.2
61.98817	1.1
67.63504	0.7
69.11945	3.2
69.12357	1.7
71.01384	9.1
72.99306	1.3
73.02950	2.2
73.23442	0.6
73.59341	0.6
79.95757	1.0
85.02943	3.3
85.46421	0.8
87.00885	3.9
89.02460	6.5
93.03471	1.7
96.96023	1.7
97.02972	1.4
99.00872	1.5
101.02444	5.0
109.02983	1.0
113.02435	3.8
113.06188	0.8
117.03476	23.9
118.03872	0.9
119.03603	1.5
119.05038	32.6
120.05355	0.7
123.04549	1.2
125.02435	2.8
133.06621	2.2
135.04532	1.3
143.03485	1.9
145.02968	100.0
146.03293	4.2
149.24710	0.7
161.02429	2.4
161.04585	3.5
161.06088	6.2
163.04024	50.8
164.04404	1.2
167.03506	2.8
177.05603	3.9
179.03546	2.0
179.05573	4.1
187.04051	0.8
205.05070	9.3
235.06133	4.4
265.07202	9.5
266.07227	0.7
298.88004	0.7
307.08362	1.7
323.09869	2.2
325.09219	2.7
337.07565	1.3
341.10950	1.3
487.14703	48.8
488.14700	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07338	0.3
58.02975	0.9
59.01387	3.2
61.98833	18.8
67.02998	0.5
69.30724	0.3
71.01378	2.3
71.32261	0.3
72.00883	0.5
72.99313	1.6
73.02966	0.6
74.02483	1.9
78.95920	1.7
79.33849	0.4
82.02996	1.1
84.04554	4.2
85.02964	0.6
87.00886	0.9
89.02447	2.6
92.92802	4.3
94.41965	0.4
94.92513	1.2
97.04068	0.6
98.02506	0.6
99.05679	0.6
101.02435	1.4
101.07213	1.4
108.90199	0.9
109.04085	6.7
110.89934	0.6
113.02442	1.2
119.03524	0.7
119.94732	2.0
125.03590	3.5
127.05148	19.3
128.03545	9.3
129.01923	0.4
135.92105	1.6
137.91862	0.6
145.06203	100.0
146.04607	1.0
146.06544	1.4
146.96613	1.4
162.93996	1.5
179.05588	2.9
193.03563	1.3
203.02118	0.5
228.92778	0.4
230.03947	1.1
235.00401	0.3
341.10916	4.3
402.39798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53931	2.4
57.20696	2.3
57.83108	2.5
59.01385	100.0
61.98824	4.4
69.03457	3.0
70.22063	2.5
71.01022	5.0
71.01390	63.3
72.99283	3.5
73.02956	12.2
81.03458	4.2
82.64109	2.1
83.01404	5.7
83.80272	2.6
85.02936	9.9
87.00900	5.6
89.02452	73.0
95.01372	5.3
96.96024	5.4
97.02938	6.5
101.02448	28.3
104.96159	2.6
109.02958	4.0
113.02476	13.3
118.86403	3.2
119.03560	3.5
125.02447	12.0
131.02858	2.2
131.03543	24.1
133.02969	3.3
133.06577	4.0
135.04515	25.2
137.74562	2.3
149.04573	46.5
161.02490	11.9
161.04477	3.2
167.03561	3.9
175.07661	5.2
177.01854	2.9
179.03537	34.9
191.05678	8.9
205.12340	12.1
265.14548	5.1
267.06628	3.5
281.08282	2.5
293.08823	19.5
349.07010	5.1
367.08139	11.7
397.09293	4.7
427.16147	4.7
487.12302	14.3
487.18472	11.4
487.30756	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	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01385	3.6
69.42258	0.6
69.42664	0.5
71.01387	1.6
72.54340	0.2
73.02964	1.3
74.99117	0.2
83.01401	0.4
85.02967	1.1
89.02479	0.5
93.03468	31.2
94.03809	0.3
96.96029	0.3
99.00901	0.4
101.02451	2.1
111.00919	0.2
113.02469	1.1
128.03571	0.3
134.03728	0.7
135.04555	0.9
137.02458	100.0
138.02782	2.4
161.04544	0.6
177.09261	0.3
231.10318	0.7
235.11925	0.7
249.11456	0.5
285.04373	0.2
367.16019	0.7
469.18457	0.6
487.18283	3.8
487.24945	0.5
488.18628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98354	0.7
57.03446	0.6
59.01386	100.0
60.01712	0.8
61.98838	0.8
64.87664	0.6
68.47602	0.6
69.16445	1.0
69.16843	3.0
71.01389	8.0
71.18066	0.7
73.02950	4.2
79.36697	0.7
83.01422	1.0
85.02973	2.6
87.00897	0.8
89.02477	2.0
95.01424	0.7
97.02995	1.5
101.02463	3.6
109.52276	0.7
113.02469	5.9
125.06142	0.9
138.06923	3.7
139.07668	0.8
151.07664	3.4
151.86250	0.6
152.08441	8.4
153.09232	23.8
154.09604	1.0
161.04623	2.1
165.09232	0.8
205.12344	8.6
223.13388	4.3
290.98520	0.7
311.10269	0.8
367.17606	21.8
368.17944	1.6
385.18887	4.4
426.94382	0.7
427.19745	8.8
471.47604	0.7
487.09723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.2
59.01386	100.0
60.01720	0.9
61.55865	0.5
61.98837	1.2
69.43414	1.8
71.01387	7.3
73.02951	6.0
80.40477	0.4
83.01421	2.1
85.02979	1.9
87.00910	0.7
89.02442	2.9
96.96060	0.6
99.00900	1.1
101.02460	6.2
113.02460	3.3
113.06116	1.8
116.72041	0.6
119.03535	1.5
119.05043	0.5
121.02986	0.6
130.08768	0.6
131.03505	0.8
135.04601	0.6
135.08202	0.7
137.09738	1.0
143.03535	0.6
151.00354	0.7
151.07741	0.6
153.09242	6.3
161.04558	2.8
163.11316	0.7
165.09209	4.9
179.05702	2.3
183.04625	0.6
187.11342	1.4
203.05710	1.5
205.12378	3.3
221.06709	3.6
223.13409	28.1
224.13789	0.9
231.10321	0.6
233.16382	0.6
255.02982	7.4
256.03384	0.5
263.07767	1.0
283.02612	1.5
459.09549	1.6
487.08847	5.9
487.16177	0.6
487.18866	0.6
487.30627	11.3
488.30679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83562	7.4
59.01367	26.0
62.39441	8.1
71.01356	9.8
76.26726	8.0
100.87737	7.7
113.02425	14.7
119.05069	10.3
121.33681	9.7
122.02490	46.0
135.04506	15.8
233.11353	8.5
236.80843	7.9
245.25916	8.4
265.07471	31.4
267.09149	62.7
269.07199	10.7
309.10257	32.3
309.47247	9.3
325.03546	15.2
349.17133	12.4
353.13770	8.8
367.18210	13.2
427.20166	100.0
451.74078	9.3
454.52481	9.7
456.17941	9.6
487.24576	15.1
487.34290	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01386	12.6
68.35750	0.3
68.99807	0.3
69.03454	0.4
69.95676	0.9
71.01386	1.0
71.05013	1.0
73.02949	4.5
73.11571	0.3
81.03457	0.5
83.01398	1.1
83.05022	0.5
85.02956	7.9
85.06596	7.4
87.04523	7.6
87.33597	0.3
93.03480	0.6
95.01386	0.5
95.05051	0.4
96.02166	1.2
97.02962	4.0
97.06610	1.0
98.21922	0.4
101.02453	0.9
101.06107	0.6
107.05021	0.4
108.02178	3.6
109.02943	1.6
109.06577	1.8
111.00861	0.5
111.04533	4.4
113.06104	10.9
115.04022	100.0
116.04359	1.2
119.08659	1.0
121.02956	0.6
124.01669	6.4
125.02442	0.9
125.06073	0.4
129.05612	0.6
131.07167	0.6
135.04536	0.4
136.99802	0.3
138.05598	0.7
139.04025	61.7
140.04352	1.3
141.05574	1.6
143.65698	0.3
147.08151	0.3
149.09721	0.7
151.07617	0.5
153.05568	1.3
157.05070	2.4
163.07646	4.0
165.09192	0.7
167.07060	0.3
167.10725	0.3
169.08643	0.4
171.06616	0.6
173.06081	0.4
174.06818	0.4
175.06122	8.2
175.07631	0.5
178.06357	2.0
179.07249	0.3
189.05598	0.6
191.07198	0.4
195.06650	5.2
199.11163	0.4
203.14372	0.3
213.07713	0.8
221.49931	0.3
227.14403	0.3
229.15964	0.6
239.10870	0.5
243.13959	0.6
255.13882	1.4
269.84824	0.3
271.13623	0.4
273.14981	6.0
281.19083	0.3
299.20190	0.6
309.18607	1.1
311.16583	1.4
312.16907	0.3
313.14606	0.3
325.18018	0.4
327.19696	2.7
329.17557	3.9
343.19141	3.6
365.21240	0.6
371.18640	8.7
372.19046	0.8
383.22247	0.4
407.22482	0.3
409.19946	0.4
427.21121	1.8
445.22327	0.5
469.22354	1.0
487.23450	20.7
487.34061	5.9
488.23740	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	487.2554
Annotation	MR 387B
Peak:m/z	Relative Intensity
55.01881	1.0
57.03452	3.0
59.01386	7.0
67.01893	0.8
69.03455	0.5
71.01387	13.2
72.99310	6.7
73.02950	1.1
75.00880	28.7
76.73067	0.4
83.01396	1.1
85.02959	15.8
85.03484	0.8
87.00885	6.2
89.02447	1.4
94.92912	0.3
95.01383	1.4
99.00893	4.4
101.02447	0.9
103.00324	0.8
111.00874	1.1
113.02460	17.1
115.00389	1.7
116.01169	3.7
117.01938	1.5
123.08119	0.5
125.09702	1.8
129.01997	1.2
135.04614	0.4
144.74556	0.4
149.09708	0.9
157.01434	1.5
167.14456	0.5
171.10278	1.4
171.55118	0.4
175.02536	2.7
185.11867	2.4
193.03613	0.8
193.12328	0.7
195.13969	0.6
197.11838	0.8
206.34660	0.3
211.13412	10.5
212.13866	0.5
229.17439	0.4
293.21243	12.9
294.21609	1.0
311.22354	6.5
332.95786	0.3
338.00208	0.3
349.77325	0.3
425.25455	1.2
469.24622	2.3
486.04825	0.4
487.25519	100.0
488.25879	10.3
503.09814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.93882	0.2
59.01394	0.3
77.27680	0.3
86.94415	0.2
114.02264	0.3
115.04105	0.4
115.97798	0.2
117.05570	0.5
124.01738	0.3
139.04016	3.6
313.78830	0.3
409.31284	0.4
487.34335	100.0
488.34677	12.1
488.42087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
62.23715	0.3
70.08134	0.3
70.08453	0.5
71.05030	1.4
79.95708	0.3
85.02956	0.4
121.90492	0.2
133.02956	0.6
135.04550	0.5
162.29684	0.2
249.97891	0.8
405.31644	0.3
409.31259	0.4
421.31311	1.1
427.32190	1.1
437.31155	0.4
443.35263	0.7
469.33316	12.7
470.33636	1.5
486.69983	0.4
487.34344	100.0
488.27496	0.6
488.34686	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	487.3433
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.83867	0.7
58.89453	0.7
59.01360	0.8
71.05035	1.0
76.62605	0.8
87.04510	0.9
92.92841	1.1
97.04585	0.8
116.92876	2.4
159.64777	0.7
262.77432	0.9
316.87042	1.0
326.37936	0.8
377.28418	1.2
377.72437	1.1
381.48657	1.0
393.31653	1.1
407.33255	2.2
423.32761	1.2
425.34369	2.8
427.32333	1.5
441.33459	1.0
443.35117	1.2
467.31808	5.1
469.33258	11.9
470.33691	2.0
487.34354	100.0
488.34613	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	487.3434
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.07312	0.3
59.87449	0.3
64.39040	0.3
65.78591	0.3
66.88956	0.3
171.04456	0.4
189.08920	0.4
270.07736	0.4
271.06052	0.8
339.05057	0.7
487.34348	100.0
488.34729	11.2
488.40347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03444	1.0
59.01396	5.1
70.54168	1.8
75.46264	0.6
82.80000	0.7
97.02967	3.5
119.05038	2.4
122.02482	0.9
131.34859	0.6
131.63879	0.6
181.20033	0.7
187.09888	0.8
248.76677	0.6
301.10757	0.6
385.64890	0.7
469.33173	2.4
487.34338	100.0
488.34674	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	488.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
65.00325	1.4
68.99846	1.3
69.25504	4.2
69.25914	3.7
110.00105	2.8
124.01715	1.6
134.43869	1.3
135.51006	1.3
136.98804	1.6
163.00401	7.9
165.99112	2.2
171.04579	2.2
184.05241	2.5
196.05368	1.3
198.03270	2.1
225.41733	1.4
239.03650	2.7
240.04225	1.8
267.02927	4.2
268.03784	88.6
269.04193	7.5
283.06128	100.0
284.06473	12.1
388.71637	1.6
488.12701	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	488.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69683	1.0
65.99866	1.6
70.90496	1.4
81.67227	1.0
85.85511	1.0
90.09458	1.0
91.23671	1.0
99.79754	1.0
108.19205	1.3
109.05836	1.1
109.94991	1.0
110.02499	4.2
119.07157	1.1
122.02522	1.3
123.03291	5.1
134.02495	4.7
135.03281	5.9
136.00401	3.4
138.01974	2.6
151.02745	4.1
155.02129	1.3
163.00514	1.1
166.01421	1.4
182.52316	1.0
192.02995	2.8
197.06238	1.1
200.07231	1.8
224.07242	1.5
225.05519	1.8
226.08783	1.2
228.06720	2.2
240.06578	2.5
241.05093	1.6
242.08231	39.3
243.06393	1.5
243.08607	2.5
252.06813	1.4
253.22888	1.0
255.06691	1.7
268.06229	3.9
270.07727	100.0
271.08398	6.0
272.06445	2.3
282.07840	1.9
296.09341	3.3
298.04443	1.1
308.05215	1.2
312.08847	2.4
313.07159	1.9
340.05295	2.5
382.09427	1.3
444.14499	1.2
471.10828	1.9
487.34171	6.6
488.14297	6.3
488.34827	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	488.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75601	1.0
57.03204	1.2
59.01385	100.0
60.01725	1.7
61.98815	1.4
68.01414	6.5
69.63524	3.8
71.01385	7.3
73.02930	4.1
83.01383	1.2
85.02960	2.6
88.98783	1.4
89.02422	1.2
93.03463	6.0
99.00803	1.2
101.02433	3.9
110.02472	4.8
113.02455	3.4
117.03512	1.7
119.05060	1.5
121.02984	2.0
124.03988	1.2
134.03813	1.4
135.04465	3.9
136.04781	1.1
143.90202	1.1
161.04594	3.0
169.06577	1.1
183.01308	1.9
203.05574	3.8
222.18073	1.2
223.06381	3.1
227.07109	8.0
230.06709	9.0
232.10686	1.4
239.07123	5.3
250.08734	3.3
281.08017	2.6
323.83197	1.1
327.16101	2.6
470.19382	1.3
487.25232	1.6
487.33817	1.4
488.19135	1.3
488.25851	2.4
489.14648	2.3
489.21387	12.2
489.27155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78106	39.8
59.55130	38.0
61.98812	43.4
65.15341	42.1
69.90591	58.9
69.90932	100.0
70.20828	44.3
71.01367	52.1
73.02956	49.1
96.22352	40.7
99.61921	46.5
109.30979	44.9
113.87982	43.8
122.62150	43.1
139.04019	75.0
163.71960	47.9
349.20331	99.8
393.21884	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10013	14.9
69.09222	100.0
80.07841	13.1
90.52620	13.8
98.22702	29.8
103.21633	14.5
103.27421	13.5
123.46008	13.2
127.93879	14.7
140.89970	17.1
197.59760	14.1
205.06783	14.0
457.23782	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	489.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42135	0.8
59.01382	26.9
61.98824	2.4
65.00334	2.0
67.22689	0.7
69.33899	4.3
69.34257	1.6
71.01383	5.2
73.02956	1.4
73.04070	2.9
83.01410	1.0
85.02951	2.3
85.03481	0.7
85.06593	6.3
87.00886	1.0
88.04044	3.9
93.03411	1.1
96.00925	1.3
96.96030	2.0
97.04133	1.0
97.40503	0.7
98.02483	1.8
98.22639	1.8
98.95591	1.3
101.02447	2.7
109.02972	0.9
110.00098	3.2
112.04115	1.0
113.02461	1.1
113.06112	1.4
114.05615	10.3
115.05141	6.3
116.92857	1.7
117.03477	2.0
119.05032	2.2
121.02962	1.3
126.05619	1.3
130.08730	0.8
132.02220	1.1
133.02971	1.1
135.00897	1.3
135.04550	3.4
135.52728	0.8
136.98849	1.9
139.00331	0.8
145.03043	1.5
145.06201	4.4
146.02533	0.9
147.03230	1.1
151.00333	0.9
152.03535	1.1
157.06636	1.9
159.04491	1.2
160.09814	12.2
161.04657	0.9
163.00462	2.2
164.01175	1.1
164.98332	1.1
165.99088	3.0
169.06497	0.9
171.04475	0.9
177.01947	2.0
183.04488	1.4
185.06146	1.6
187.04039	2.0
195.03046	5.6
197.04555	2.6
199.04042	1.0
211.04076	2.5
213.05675	1.7
214.10905	2.3
227.03520	12.9
227.06819	1.9
228.04128	0.9
228.10393	1.1
229.05118	1.6
232.11909	2.2
239.03537	3.2
241.05136	1.2
255.03018	26.1
256.03622	3.5
257.04523	1.3
261.05487	2.0
267.02957	1.6
281.04550	1.2
283.02588	4.5
284.00742	0.7
284.03278	57.4
285.04059	100.0
286.04303	5.0
369.04797	1.1
429.08228	6.3
434.82846	0.9
489.10477	48.2
489.22940	11.0
490.10852	5.8
490.23734	1.6
492.57324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53941	0.7
52.22062	0.8
53.20414	0.6
55.01872	1.2
57.03442	3.3
59.01386	32.2
65.00330	2.0
67.01903	1.0
69.68616	1.5
69.68979	1.4
71.01389	16.3
72.99304	1.4
73.02944	1.8
75.00877	6.0
83.01392	1.6
85.02959	27.3
87.00883	6.1
89.02440	2.9
95.01387	7.9
99.00881	11.0
100.88016	0.7
101.02439	1.3
103.00368	3.8
110.00122	1.5
111.00879	1.0
113.02463	44.6
114.02831	0.7
115.00388	2.8
117.01940	3.1
119.05014	0.8
124.01653	1.6
129.01962	1.9
131.73027	0.7
134.67775	0.8
136.98790	4.6
139.00389	1.3
151.00418	0.9
152.01186	2.6
157.01471	1.3
163.00374	1.0
164.98303	13.4
175.02530	7.9
180.00661	2.3
183.04597	3.6
185.02466	1.3
211.04066	2.5
239.03448	1.0
255.02991	13.9
269.04648	2.5
283.02509	74.9
284.02878	5.5
297.04105	1.9
298.04846	51.4
299.05142	4.5
309.15311	0.9
313.07202	100.0
314.07541	6.8
429.21585	1.0
447.22177	1.0
489.21542	0.9
489.27283	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	489.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	0.4
58.23199	0.3
59.01384	25.7
65.00320	3.2
68.99838	0.4
69.67288	0.6
73.02939	0.6
82.00600	1.7
94.00577	0.4
95.01420	0.9
96.00948	0.6
96.99321	0.6
98.22576	0.6
101.02439	0.6
108.02171	0.4
109.99383	0.7
110.00103	11.6
110.00860	0.6
117.02692	0.6
117.03403	2.2
119.01450	0.6
119.05038	3.1
123.00888	0.7
131.05035	0.6
135.00859	0.6
136.98820	3.6
137.99606	2.1
139.00372	1.3
143.05029	0.6
145.02954	0.6
149.99599	0.7
153.01924	0.4
155.05034	1.8
157.06567	0.5
159.04576	0.9
161.02425	0.9
163.00383	3.3
164.01204	0.8
164.98309	1.8
165.01901	0.4
165.99078	9.2
166.99725	0.7
167.05034	1.2
169.06546	0.5
171.04561	1.0
172.05327	0.4
173.06076	0.3
181.06590	0.4
183.04579	2.2
185.06053	2.3
187.03976	1.0
190.99893	0.5
193.06711	0.4
195.04488	1.6
199.03984	1.6
200.04784	4.9
201.05452	0.7
211.04019	5.0
212.04745	1.5
213.05573	2.6
223.04140	0.5
225.05629	1.0
227.03542	5.0
228.04216	2.1
229.05022	0.7
238.02744	0.5
239.03496	9.5
240.04184	2.1
241.05087	1.8
251.96162	0.4
253.05043	1.5
255.02998	8.0
256.03723	2.6
257.04459	0.9
267.02893	2.8
268.03693	0.8
269.04517	0.7
281.04559	11.5
282.04819	0.8
283.02505	9.7
283.05807	0.8
284.03275	86.1
285.04034	100.0
286.04407	4.8
297.04050	0.6
309.03955	0.4
409.17245	0.4
429.08282	10.0
429.14124	0.6
430.08713	1.0
432.58582	0.4
447.09259	3.0
489.10419	79.8
490.10742	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	489.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.3
63.02104	0.2
63.02398	1.8
65.00323	1.5
68.99814	0.1
69.44339	0.3
69.44740	0.2
71.01421	0.2
73.02936	0.1
76.28108	0.1
81.03445	0.2
83.01391	0.8
87.00878	0.1
88.98814	0.3
93.03465	0.1
96.95991	0.2
98.22587	0.3
105.03446	0.8
107.01398	3.7
109.02964	3.2
117.03449	0.1
119.05064	0.1
121.02971	4.7
122.00082	0.1
122.03262	0.2
125.02457	0.2
131.01395	0.3
132.02171	0.2
133.02969	12.5
134.03329	0.4
135.00891	0.1
135.04506	0.3
141.15446	0.1
143.05017	0.4
145.02957	0.1
145.06577	0.1
147.00874	0.1
147.04518	0.3
149.02460	5.5
150.02855	0.1
151.00385	5.3
151.03989	0.3
153.01888	0.1
157.02971	0.3
157.06589	0.2
159.04578	0.2
161.02443	0.1
169.06583	0.3
171.04539	0.9
173.02461	0.3
173.06052	0.4
174.03235	0.2
175.04019	3.8
177.01955	1.3
182.03734	0.2
183.04539	0.2
184.05267	0.1
185.06084	1.5
187.03999	0.5
188.04724	0.2
189.05542	0.4
195.04495	0.4
196.05263	0.2
197.06085	0.9
198.03206	1.1
199.04025	4.1
200.04564	0.4
201.01953	1.2
211.03987	0.8
212.04800	1.0
213.05577	1.3
215.03557	0.7
217.05069	2.0
223.04034	0.2
224.04636	0.1
225.05624	0.2
226.02736	0.3
227.03484	0.4
229.05051	0.4
239.03505	0.5
240.04213	0.4
241.01353	0.1
241.05069	2.4
242.02086	0.2
243.02965	1.2
253.05054	0.5
255.02994	0.4
256.03772	1.2
257.04562	0.6
267.02972	0.5
269.04495	0.6
271.06113	0.2
281.04620	0.3
284.03329	1.6
285.04062	100.0
286.04404	6.1
297.03961	0.3
298.04736	0.2
299.05563	0.4
309.04050	0.2
327.05078	1.6
328.05289	0.2
429.08200	0.4
447.09210	0.5
471.09821	0.1
489.10437	61.1
490.10773	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	489.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06708	0.2
59.01380	0.4
65.00322	1.5
65.17987	0.2
67.01894	0.4
70.14083	0.4
82.00615	1.1
82.70030	0.3
83.01388	0.5
93.03465	0.3
95.01383	2.0
96.99322	0.3
100.85426	0.2
105.12805	0.2
107.01396	0.6
110.00105	5.2
111.00887	9.0
117.03485	1.1
119.04251	0.5
119.05035	5.3
120.92653	0.2
121.02953	0.4
123.00896	1.6
125.02436	1.1
129.00645	0.2
133.02966	0.7
135.04553	0.4
136.98816	2.0
137.02443	1.0
137.99614	1.7
139.00381	11.3
141.01970	0.5
143.04990	0.8
145.06578	0.4
151.00359	4.1
161.02469	2.3
163.00404	0.9
164.01164	0.6
164.98326	1.3
165.01924	1.5
165.99092	3.4
166.99864	3.6
167.05032	0.8
169.02907	0.3
169.06564	0.8
171.04509	1.3
173.06064	0.7
178.99844	0.7
179.05017	0.4
183.04411	0.3
185.02501	0.5
185.06091	0.9
187.04030	0.3
190.99844	0.8
192.00630	0.8
195.04529	1.1
197.02486	0.2
197.06111	0.8
199.03981	0.8
200.04819	0.3
211.04021	1.0
212.04752	0.7
213.05582	1.3
214.02699	0.4
217.05067	0.7
219.34395	0.3
223.04056	3.2
225.01962	1.0
227.03545	0.4
239.03470	1.1
241.05052	1.5
242.02214	0.5
243.03033	0.5
243.06723	0.4
256.03809	0.3
257.04617	0.4
267.03009	1.4
269.04575	0.9
281.04813	0.3
283.02432	0.8
284.03287	9.3
285.04059	100.0
286.04391	5.8
314.19586	0.3
429.08057	1.7
489.10419	20.2
490.10776	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57452	0.3
59.01379	2.1
65.00328	2.6
65.98145	0.4
67.01906	0.6
69.06049	0.6
69.06446	1.9
71.01378	0.9
89.14597	0.3
95.01414	0.5
101.02434	0.4
110.00096	0.5
111.00922	0.5
111.60692	0.4
113.02493	0.6
117.03493	1.4
119.05029	1.4
134.28157	0.3
135.00920	0.4
135.04491	0.3
136.98816	2.3
137.02461	0.5
139.00426	0.5
143.05003	0.8
145.02945	1.8
147.04503	0.3
155.04982	0.5
157.06566	0.3
163.00401	2.4
164.01169	0.7
165.01915	0.9
165.90475	0.3
165.99071	0.7
166.99918	0.4
167.04982	0.6
169.06641	0.8
171.04547	1.3
183.04524	0.5
184.05324	0.5
185.02472	0.5
185.06081	2.2
187.04028	3.6
189.05663	0.5
192.00591	0.5
195.04578	0.5
196.05182	0.5
197.06136	0.6
199.03947	0.5
200.04787	0.6
211.04028	1.6
212.04645	0.8
213.05580	5.0
215.03510	0.9
217.05037	0.5
221.57152	0.4
227.03494	1.0
228.04327	0.6
229.05013	1.4
239.03525	1.1
240.04259	0.8
241.05064	2.5
255.02977	0.9
256.03842	0.9
257.04568	1.3
283.02527	1.2
284.03284	16.6
285.04065	100.0
286.04434	4.9
429.08401	1.3
447.09204	0.5
488.29495	0.6
489.10455	19.4
490.10846	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16256	0.2
55.04002	0.2
59.00735	0.2
59.01370	0.9
65.00330	1.7
67.01915	0.4
68.99834	0.2
69.30681	1.0
82.00616	0.8
83.01384	0.6
93.03469	0.6
95.01379	1.8
96.99313	0.4
97.02966	0.3
107.01401	0.5
110.00099	6.0
111.00893	9.6
112.01247	0.2
117.03457	1.0
119.05035	5.2
120.34138	0.2
121.03004	0.3
123.00903	1.7
124.98826	0.3
125.02470	1.2
133.02946	0.7
135.00938	0.3
136.98830	1.9
137.02457	0.9
137.99596	1.8
139.00394	13.1
141.02002	0.2
143.05031	0.9
145.06616	0.3
145.49158	0.2
147.00978	0.2
151.00375	4.3
157.06599	0.3
158.03760	0.2
161.02477	2.2
163.00375	0.8
164.98286	2.0
165.01950	1.2
165.99089	3.4
166.99876	4.0
167.05037	0.8
169.06622	1.2
171.04549	1.5
173.06090	1.2
178.99892	0.5
179.05042	0.5
183.04543	0.4
185.02502	0.3
185.06093	1.2
186.17599	0.2
187.03995	0.6
190.99869	0.7
192.00702	1.1
195.04520	0.8
197.06094	0.6
198.03218	0.3
199.03966	0.9
200.04878	0.4
211.04021	0.8
212.04825	0.6
213.05527	1.5
214.02711	0.5
217.05115	0.9
223.04051	2.7
225.01884	1.0
227.03526	0.3
239.03423	1.3
241.05089	0.9
242.02162	0.5
243.02957	0.5
243.06677	0.5
256.03647	0.3
257.04596	0.6
267.02924	1.1
269.04465	0.7
283.02524	0.9
284.00159	0.5
284.03284	8.8
285.04053	100.0
286.04391	5.0
287.05759	0.3
297.04114	0.3
327.04965	0.3
327.08701	0.5
357.26086	0.2
403.01443	0.3
415.20251	0.2
429.08188	2.2
489.10422	21.2
490.10815	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	489.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88459	0.9
57.03450	3.4
59.01385	29.5
65.00330	1.4
71.01388	20.7
72.99312	3.6
73.02940	2.5
75.00881	8.3
83.01409	1.5
84.02087	1.0
85.02956	35.9
87.00881	5.0
87.08640	0.9
89.02460	2.2
95.01398	9.9
99.00896	13.5
101.02483	2.4
103.00393	6.2
113.02459	58.1
114.02809	1.8
115.00382	3.2
117.01962	3.0
117.03439	5.2
119.05045	1.5
129.01965	2.7
135.00865	2.1
157.01460	1.3
163.00386	9.4
164.98309	2.9
175.02486	8.5
183.04474	2.2
185.02425	1.5
208.95940	1.0
211.03934	1.5
227.03658	4.7
239.03505	1.1
255.02965	17.3
256.03409	1.2
269.04449	1.3
283.02496	91.2
284.02878	6.0
285.04025	1.7
297.04034	2.4
298.04837	75.9
299.05161	4.9
313.07196	100.0
314.07593	5.9
327.21710	1.1
447.22552	2.1
489.27148	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	489.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04367	0.9
56.76997	1.0
58.35424	0.9
59.01384	3.7
59.93180	0.9
65.00323	5.0
68.99810	4.1
69.71859	3.8
74.52174	0.8
75.00877	1.5
77.00333	2.5
82.00578	1.0
85.02935	1.3
92.99825	7.8
96.99309	3.1
98.21938	2.2
101.03977	2.1
103.00384	1.0
104.99823	5.1
107.01424	1.4
110.00109	5.1
111.00894	1.5
113.02445	1.6
115.05523	1.0
120.99325	32.0
123.00916	1.6
124.98804	1.4
127.05543	1.5
129.04672	0.9
130.37595	1.0
131.05040	2.9
134.00096	1.4
136.98801	3.9
137.99594	3.8
139.05557	1.3
141.07104	1.4
143.05005	2.0
147.04533	11.8
148.98764	1.7
149.99698	1.5
151.00342	1.7
151.93918	0.9
152.01193	0.9
153.07104	2.2
155.05087	2.5
155.07358	0.9
157.06540	2.1
164.98305	5.7
165.07104	1.9
165.99052	1.5
166.99898	8.0
167.05011	2.0
169.06630	2.7
171.04553	8.4
173.06079	5.8
176.98303	6.0
178.99860	4.4
180.05695	1.2
181.06592	4.2
183.04472	1.5
185.06044	3.0
190.99896	2.2
192.97800	2.7
193.06589	4.3
193.98483	2.4
197.06064	8.3
199.04033	1.9
201.05609	4.8
204.97791	54.2
205.98235	3.2
209.06075	16.2
211.04054	1.5
213.05606	2.4
217.98569	1.2
221.06094	1.5
225.05609	9.4
227.03496	1.1
229.05019	2.8
237.00388	5.1
237.05573	5.1
238.06232	2.0
241.04987	5.5
242.08272	1.3
252.04169	1.8
253.05135	6.9
255.06691	1.4
265.04971	3.2
266.05862	2.7
267.06842	1.1
269.04538	9.7
270.05182	3.0
270.07785	2.1
271.06076	3.9
271.08469	2.0
281.04471	7.7
282.05112	1.7
283.02441	2.0
294.05438	1.9
297.04126	5.8
298.04868	3.5
299.05505	4.1
304.36819	1.1
309.04031	21.7
310.04483	1.8
313.07098	3.6
325.03516	7.6
331.09677	1.3
340.08148	3.6
341.06549	49.6
342.07010	4.3
357.11395	3.3
359.09357	1.1
369.11218	5.1
373.10739	4.5
383.09241	1.4
385.10730	3.0
401.10330	16.0
402.10632	2.0
413.10324	19.2
414.10379	2.4
429.09811	100.0
430.10144	12.4
435.77814	1.1
488.34863	1.4
489.12024	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	489.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40969	0.9
57.02564	1.0
65.00317	4.1
68.49983	1.1
68.99835	2.0
70.47336	1.5
79.01875	2.4
84.79813	1.0
93.67857	0.9
95.01395	2.3
96.84666	1.0
96.99345	2.4
98.22556	1.1
99.00880	2.8
107.01450	0.9
110.00097	1.6
111.00876	2.9
113.02470	1.4
115.05497	1.6
120.99316	1.5
122.00076	1.2
123.00871	2.2
124.01669	3.6
124.98798	1.1
125.02444	1.8
131.05013	3.8
135.00841	1.3
136.98795	3.0
137.02452	1.5
143.05006	1.7
149.99585	3.7
151.00327	2.9
152.01134	2.2
163.00322	2.1
164.01114	1.3
164.98309	5.2
165.01970	2.4
167.04988	1.2
169.06583	2.4
171.04512	7.3
173.06094	7.1
177.99048	2.7
178.99840	3.1
180.00575	2.7
180.26735	1.2
181.06572	2.4
181.94292	1.0
185.06119	2.5
192.00632	1.3
193.06635	2.1
195.04500	1.4
195.08138	1.7
197.06067	2.7
201.05615	4.7
202.93713	1.1
205.98553	5.2
208.00221	1.5
209.06088	2.2
211.03951	1.6
211.07510	1.7
213.05547	4.0
221.06140	2.3
223.04013	1.8
225.05603	5.6
227.07152	1.4
229.05078	13.1
237.05602	1.9
238.06357	1.2
239.03664	1.4
239.07103	5.7
240.04387	1.5
241.05093	9.6
242.05376	1.2
243.06693	1.7
253.05145	5.7
255.06493	4.7
257.08289	1.7
265.05136	2.8
266.05838	3.2
267.06677	6.6
268.07199	1.3
269.04587	5.8
269.08023	1.6
271.06091	3.4
283.02737	1.6
283.06064	3.8
293.04523	4.1
294.05316	12.0
295.06021	5.8
310.04691	1.3
311.05606	9.4
312.06241	3.1
313.07187	2.7
321.04053	1.8
322.04904	1.3
323.05609	2.2
353.11841	3.2
365.06696	1.7
371.12793	1.2
381.11346	2.0
397.10785	3.1
399.12277	1.8
409.10794	2.5
410.38312	1.1
415.02023	1.0
425.10245	2.7
427.11935	3.8
429.09589	1.3
443.11404	7.4
445.12973	15.2
453.09677	6.5
457.09253	3.3
471.10910	100.0
472.11261	10.0
488.34717	2.1
489.11557	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	489.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08822	1.9
55.36025	2.3
56.21116	2.1
59.01380	8.9
64.10469	2.1
65.00319	6.6
65.99849	2.8
68.99820	3.6
69.68993	8.4
71.01387	7.3
72.94318	2.2
79.09864	2.1
80.02905	2.2
85.02955	9.6
95.01408	6.4
98.21996	2.8
99.00897	7.0
110.00120	8.6
111.00887	9.3
113.02467	14.3
117.03465	6.3
119.05019	4.5
123.00932	4.2
124.01683	5.1
133.06589	3.3
136.98816	7.6
139.00403	7.7
140.01221	4.6
141.01965	21.8
143.05061	2.5
152.01144	3.4
164.98277	9.2
165.99103	5.6
166.99854	7.5
171.04549	2.9
173.06105	9.6
175.02473	2.4
180.00684	3.9
185.06116	3.0
189.05554	3.8
192.97783	3.1
194.99347	19.7
197.06102	5.4
199.04114	3.1
225.05653	5.2
229.04964	2.5
241.05156	3.4
243.06590	8.9
253.05113	5.4
255.02962	3.7
255.06570	2.7
267.06747	3.0
268.03796	2.9
269.04565	21.0
270.07816	2.4
271.06131	27.4
272.06277	3.1
281.04568	4.0
283.02484	21.3
285.04123	6.7
286.04871	13.5
287.05643	9.7
294.05127	3.0
297.09933	2.6
298.04843	17.4
299.05621	100.0
300.05896	6.0
311.05603	3.0
313.07184	32.0
314.07654	3.0
329.06668	3.0
471.10638	14.3
489.10883	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	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21260	0.5
58.24012	0.6
59.01384	14.0
69.35595	2.9
70.68716	0.7
71.01394	9.9
73.02948	1.9
75.00867	1.0
80.96540	0.7
83.01394	1.4
85.02978	3.6
87.00898	1.7
89.02457	7.1
91.01879	1.6
93.03464	1.3
95.01401	1.5
96.96031	0.9
98.22655	1.2
99.00867	1.0
101.02446	6.1
108.02171	1.0
109.03026	1.1
113.02463	4.4
116.92907	0.7
117.03484	1.2
119.01404	7.6
119.03497	2.1
119.05033	2.3
121.02967	5.7
121.05082	4.5
123.04542	0.8
125.02455	5.3
125.18488	0.6
133.02942	0.8
134.03754	2.2
135.04533	1.8
137.02449	1.1
145.02975	0.9
147.00893	7.5
147.04526	2.5
148.01640	0.9
149.02452	25.2
150.02977	1.3
152.01207	0.9
160.01689	0.8
161.02397	0.7
161.04536	0.7
162.03181	0.8
163.00349	1.2
163.04036	2.5
164.04807	25.1
164.98280	0.8
165.01843	1.2
165.05324	0.8
167.03563	0.6
175.00380	32.9
175.04001	1.1
176.00941	1.3
177.01944	0.8
179.05713	1.0
179.07074	3.4
183.04591	0.8
187.04002	1.5
189.01900	0.9
190.02731	92.1
191.00212	0.6
191.03279	3.4
193.01439	1.0
193.05020	0.6
199.04022	1.8
205.05066	100.0
206.05426	4.8
208.03818	2.3
209.04570	2.4
211.04042	1.8
212.04683	0.7
217.05054	0.8
221.08203	1.7
222.86195	0.7
223.06131	46.2
224.06473	1.8
227.03549	1.1
229.04947	0.7
237.07793	0.9
239.03520	1.9
240.04416	0.8
241.05147	0.8
255.03078	3.8
256.03732	2.2
257.04575	1.7
265.07190	6.3
267.02942	1.1
269.08273	1.0
283.02399	2.4
283.10300	1.0
284.03281	25.1
285.04047	27.0
286.04416	1.6
295.08316	1.5
325.09271	1.1
367.10446	1.5
385.11716	0.8
474.13559	1.6
489.10440	6.0
489.16220	89.9
490.10687	1.1
490.16690	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	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25275	0.4
59.01383	15.9
61.98843	0.9
66.02905	0.5
67.42064	0.5
69.30994	2.5
71.01391	7.4
73.02946	3.8
82.95403	0.8
83.01402	1.0
85.02951	1.4
89.02459	6.6
95.01402	0.5
97.02940	0.6
99.00886	9.0
101.02457	5.5
105.03468	0.9
109.02970	1.2
110.02482	0.7
111.02020	14.5
111.11236	0.5
113.02454	2.7
117.03495	1.3
119.03531	1.6
121.02980	0.6
123.04580	0.7
125.02463	2.1
131.03563	1.2
132.02199	1.7
133.02974	29.6
134.03770	1.1
135.03510	1.0
135.04546	19.1
136.04848	0.9
137.02486	0.9
145.02992	0.8
147.00951	1.3
148.01743	0.6
149.02618	0.5
149.04564	1.8
149.06065	1.0
160.01665	0.7
161.02460	100.0
162.02823	2.9
163.00348	0.8
163.04021	0.8
163.79742	0.4
165.07674	2.8
175.04024	1.4
177.05640	0.7
179.03520	7.2
183.04645	0.7
184.03795	0.5
191.05606	1.6
191.07159	0.6
192.86024	0.5
199.04016	0.6
211.04007	0.5
215.03954	0.6
217.04910	0.6
221.04610	1.0
227.03595	0.6
239.03586	0.9
241.05132	0.7
255.03191	1.3
256.03702	1.0
257.04568	0.6
258.02286	0.6
267.03082	1.7
281.06628	1.0
283.02609	0.8
284.03317	10.3
285.04034	9.8
286.04428	0.6
315.10974	1.4
357.11847	1.7
387.10419	0.9
447.15146	2.2
489.16187	85.1
490.16504	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	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	21.7
60.91964	0.7
61.98835	0.8
69.51721	3.0
69.52088	1.1
71.01389	10.7
72.99294	1.2
73.02950	2.4
82.95434	0.8
85.02950	3.0
87.00854	0.8
89.02446	7.7
89.03967	0.9
95.01422	0.8
96.95989	1.3
99.92584	2.2
100.93360	1.0
101.02444	6.4
101.92420	1.0
109.02970	0.7
113.02477	3.3
115.92126	1.8
116.70958	0.7
116.92896	8.8
117.03483	3.9
117.92853	0.8
119.03521	2.9
119.05013	0.9
121.02914	0.9
128.03574	1.0
132.02184	14.9
133.02956	1.9
133.05101	1.1
134.03757	48.0
135.04619	1.6
147.00870	1.2
147.04538	2.0
148.05331	1.4
149.06096	7.7
151.06143	5.5
156.61325	0.7
158.03781	0.7
160.01674	81.1
161.02170	2.7
173.06075	1.0
175.04019	100.0
176.04678	8.0
177.01917	1.5
178.02695	3.0
179.05571	0.8
191.07152	11.7
193.05078	69.3
194.05409	2.8
207.06648	4.7
211.04016	0.9
217.05154	1.0
220.03847	1.4
235.06146	31.5
236.06487	1.1
265.07184	5.9
283.89084	0.8
284.03186	4.5
285.03989	7.1
295.08066	6.5
302.20721	0.8
313.11520	1.0
337.09329	1.4
355.10306	2.0
445.99933	0.9
489.10501	3.2
489.16190	84.0
489.98477	0.7
490.16455	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	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01723	0.8
61.98843	1.0
65.00328	0.5
66.84447	0.5
70.02990	0.6
71.01396	1.9
71.39668	0.4
73.02956	0.8
73.16973	0.4
83.01407	0.7
85.02963	0.6
89.02468	0.7
96.00924	5.7
101.02477	1.5
107.01406	1.2
110.00168	0.5
113.02494	0.7
114.05621	0.6
117.03515	0.6
119.05036	0.8
129.10358	3.0
133.03001	2.5
149.02469	1.1
151.00407	1.9
164.07158	0.9
175.03961	0.8
177.01964	1.7
199.03975	0.6
200.04715	0.6
201.01958	0.5
211.03952	0.7
226.02544	0.5
226.11975	0.8
241.04988	0.5
255.03105	1.0
256.03671	1.4
265.10190	0.7
283.02429	1.1
283.11160	0.7
284.03293	22.5
285.04062	32.1
286.04416	1.4
341.11835	5.1
372.82690	0.5
387.20157	1.3
429.08286	2.1
453.86908	0.5
489.10431	28.7
489.22217	1.5
490.10590	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69628	0.3
57.10371	0.4
59.01384	100.0
60.01728	0.5
69.55135	0.3
70.26748	0.4
70.27044	0.4
70.94315	0.3
71.01391	0.9
71.43178	0.4
73.02976	0.5
79.93726	0.3
79.95741	2.1
85.02961	0.5
89.02507	0.5
90.29935	0.4
96.36076	0.3
96.96037	4.4
96.96999	0.4
100.92662	0.4
101.02457	0.5
113.02464	0.5
115.55519	0.3
121.03008	0.4
123.04552	0.5
125.02438	0.5
139.00423	0.4
167.03568	1.4
171.04530	0.3
197.04584	0.4
207.13905	0.5
235.32933	0.3
236.97952	0.8
239.05681	0.4
285.04190	0.4
326.44550	0.3
445.15442	0.7
453.78928	0.4
473.58920	0.4
489.16101	0.7
490.15826	0.9
492.10211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03457	0.8
59.01385	100.0
60.01727	0.7
69.03465	0.5
69.70130	0.3
70.42859	0.4
70.43191	0.3
71.01393	6.8
72.99332	0.8
73.02954	3.1
80.74532	0.3
81.03452	0.5
81.82566	0.3
83.01415	1.0
83.05049	0.5
85.02963	5.2
87.00888	5.1
89.02457	2.0
90.42896	0.3
93.03507	0.4
95.01405	0.8
95.05054	0.3
97.02985	0.7
97.06631	0.4
98.21988	0.3
99.00890	2.7
101.02451	3.9
107.04982	0.3
111.00906	0.4
111.04557	0.4
113.02470	5.1
123.04546	2.3
125.02493	0.9
125.06113	2.2
129.01974	0.5
131.03551	0.4
135.04527	0.8
141.05620	1.1
143.03514	1.6
151.04071	0.3
153.05545	0.5
155.10858	0.8
158.83606	0.3
159.03073	1.0
161.04553	2.6
169.05081	0.7
171.10321	1.9
173.04628	0.3
197.02866	0.7
197.11926	0.5
198.03551	0.3
205.07275	0.4
211.13506	1.2
223.00465	0.3
229.14468	2.9
233.06761	0.7
285.04279	0.4
291.19650	0.6
309.15402	0.6
309.20898	0.6
313.15170	0.5
315.18063	1.4
327.21841	1.8
429.21268	6.6
430.22009	0.5
447.22269	6.0
448.22986	0.6
489.21591	2.1
489.27432	11.0
490.27896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03457	1.2
59.01388	100.0
69.03462	1.0
69.73064	2.5
71.01389	6.5
71.01688	0.6
73.02972	1.7
73.67442	0.6
76.47655	0.7
83.01412	1.5
83.05058	1.2
83.06077	0.8
85.02986	2.7
87.00906	2.0
89.02473	1.1
95.01391	1.3
99.00908	0.9
101.02484	3.2
102.63914	0.7
113.02470	1.5
119.05077	1.1
125.02508	0.9
125.09758	1.2
135.04579	1.9
161.04587	0.9
174.63599	0.8
183.01222	11.6
197.02852	2.8
206.84236	0.8
267.19958	0.8
285.20825	9.2
309.15393	5.2
327.16458	4.0
327.21933	1.3
345.30350	1.2
399.95929	0.7
429.24963	6.7
447.26050	10.3
447.31027	0.9
471.26169	1.0
489.10989	1.0
489.21783	30.5
489.27579	30.5
489.35278	2.9
490.22177	2.8
490.27881	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.99345	0.6
61.80214	0.5
71.01398	7.8
73.02953	3.5
78.47581	0.6
83.01400	1.0
85.02955	2.9
87.00857	0.6
88.98804	4.2
89.02455	3.2
94.98099	1.0
95.01388	0.9
96.96038	1.1
101.02464	6.2
113.02485	2.2
119.03566	0.7
133.03000	0.7
161.04575	3.1
167.03525	1.4
179.05779	0.8
207.13864	0.6
270.98151	0.7
275.13470	0.7
285.04019	4.2
325.16916	0.6
369.19116	2.8
387.20236	9.0
429.21384	3.6
489.10760	1.4
512.24451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01723	0.8
61.98843	1.0
65.00328	0.5
66.84447	0.5
70.02990	0.6
71.01396	1.9
71.39668	0.4
73.02956	0.8
73.16973	0.4
83.01407	0.7
85.02963	0.6
89.02468	0.7
96.00924	5.7
101.02477	1.5
107.01406	1.2
110.00168	0.5
113.02494	0.7
114.05621	0.6
117.03515	0.6
119.05036	0.8
129.10358	3.0
133.03001	2.5
149.02469	1.1
151.00407	1.9
164.07158	0.9
175.03961	0.8
177.01964	1.7
199.03975	0.6
200.04715	0.6
201.01958	0.5
211.03952	0.7
226.02544	0.5
226.11975	0.8
241.04988	0.5
255.03105	1.0
256.03671	1.4
265.10190	0.7
283.02429	1.1
283.11160	0.7
284.03293	22.5
285.04062	32.1
286.04416	1.4
341.11835	5.1
372.82690	0.5
387.20157	1.3
429.08286	2.1
453.86908	0.5
489.10431	28.7
489.22217	1.5
490.10590	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	489.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26561	0.3
55.01888	0.8
55.98230	0.3
57.03453	0.6
59.01388	100.0
60.01733	0.6
60.56367	0.2
69.03480	0.6
69.27835	1.4
70.46111	0.2
71.01390	7.4
72.99337	0.7
73.02956	3.2
75.00901	0.3
77.17361	0.3
83.01407	1.1
83.05037	0.5
84.02231	0.3
85.02963	5.5
85.03461	0.4
87.00890	6.0
89.02454	2.8
91.26801	0.3
93.03497	0.6
95.01418	0.9
95.05049	0.3
97.02979	1.2
97.06587	0.7
98.22653	0.6
99.00889	2.8
101.02461	4.5
108.02177	0.4
109.06664	0.3
111.00920	0.4
111.04549	0.5
113.02471	6.4
113.03266	0.4
119.03511	0.5
119.05045	0.6
123.04538	2.5
125.02458	1.1
125.06076	1.3
127.00445	0.4
127.11439	0.3
129.01982	0.7
131.03557	0.8
133.02997	0.3
135.04552	0.6
139.04034	0.3
141.05602	1.2
141.85486	0.3
142.40634	0.3
143.03526	2.2
151.04082	0.4
153.05638	0.4
155.10826	0.6
159.03088	0.4
161.04573	2.4
168.81987	0.3
169.05115	1.1
171.10287	2.0
175.04256	0.3
197.02844	0.7
197.11821	0.8
211.13411	2.1
229.14482	4.3
233.06737	0.8
291.19766	0.9
309.15231	0.8
309.20779	1.3
313.14828	0.7
315.18256	1.1
327.21832	2.7
355.17624	0.3
429.21362	5.5
429.26855	0.4
430.21631	0.5
447.22351	7.7
448.22858	0.7
489.21481	1.8
489.27307	13.9
490.27563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92385	0.4
55.01881	0.9
57.03456	1.0
58.00606	1.3
59.01385	46.8
61.72172	0.4
62.09312	0.4
69.17289	2.4
71.01390	17.4
72.99300	0.9
73.02950	2.4
75.00867	0.7
81.03486	0.4
83.01405	1.0
85.02958	5.5
87.00873	1.1
88.98803	0.5
89.02450	12.0
95.01406	1.7
97.06564	0.5
99.00919	0.7
101.02448	9.3
111.08167	1.8
113.01701	0.7
113.02459	7.2
119.03518	3.3
119.05038	0.7
123.08225	0.5
127.07687	0.8
135.04530	0.6
149.13498	0.4
153.12837	0.5
164.98294	1.0
169.12346	0.9
171.10446	0.5
181.12378	4.1
183.13939	1.0
193.12309	0.9
197.02769	2.8
197.11841	9.5
198.03542	0.8
199.13414	7.0
200.13782	0.7
211.13377	8.7
221.11935	0.7
227.12946	0.5
229.14415	3.0
255.03058	0.6
267.19724	0.5
277.13892	0.5
283.02454	4.7
285.04193	0.6
291.19623	3.9
298.04959	1.6
309.15469	2.6
309.20743	10.2
310.21259	0.6
313.07306	4.3
313.14810	0.7
327.16104	2.2
327.21796	5.8
361.18710	2.4
429.25220	0.5
447.25894	1.0
489.21683	7.0
489.27219	100.0
490.21909	1.0
490.27646	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	489.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11367	0.5
54.61883	0.5
56.67345	0.7
58.02989	2.9
59.01385	4.9
64.62617	0.6
71.01415	0.7
71.02509	0.8
73.02946	1.1
73.04071	1.1
74.02473	0.6
82.02979	0.5
82.06644	1.0
84.00902	1.8
95.05892	0.5
97.69745	0.5
98.21828	1.0
101.02456	1.6
112.07691	1.0
116.05082	1.8
119.05077	0.7
129.10365	26.0
130.06647	1.2
130.08759	27.8
135.04492	0.5
141.10374	7.0
143.11914	4.7
153.10332	1.0
154.08844	1.2
158.06158	1.2
160.07712	2.7
164.07245	0.6
168.09018	0.8
169.09825	4.0
171.10045	1.2
171.11426	19.1
186.05615	6.7
187.10919	6.5
198.12393	1.2
242.11873	1.4
253.18259	0.9
267.19669	0.9
273.16092	8.5
276.17380	0.6
285.03937	0.6
290.18887	0.7
308.53699	0.6
317.15042	0.6
318.18262	0.9
334.17798	1.3
361.86771	0.5
447.26126	1.2
464.16385	0.6
489.27261	100.0
490.20685	0.4
490.27576	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	489.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42708	0.4
53.85703	0.4
57.03447	1.2
58.00599	0.7
59.01384	43.7
61.82506	0.4
61.98832	0.7
66.51195	0.4
69.03447	0.7
69.12913	3.5
69.13223	0.8
71.01391	17.3
72.99315	0.8
73.02955	3.4
76.40898	0.5
83.01397	1.1
85.02960	6.8
85.48901	0.4
87.00897	0.7
89.01947	0.7
89.02463	10.4
95.01411	1.3
97.02956	0.5
97.06590	1.0
98.21847	0.7
99.00895	0.7
101.02454	8.1
113.02460	5.8
113.14707	0.5
119.03529	3.4
119.05028	0.9
122.12314	0.5
125.09716	0.7
127.11324	0.9
135.04546	1.0
143.03535	0.9
155.10768	2.3
163.11301	1.0
165.12843	1.8
171.10312	5.0
181.12370	0.5
197.11746	0.8
209.11833	1.3
211.13423	3.9
213.49631	0.5
213.88306	0.5
227.12978	0.6
229.14456	8.7
247.20712	1.6
267.19598	0.7
283.02338	1.0
284.03174	1.9
285.04028	2.6
291.19662	9.6
292.19781	0.6
298.04971	0.5
309.20746	6.9
310.21252	0.6
311.16718	0.5
313.07059	0.6
327.15973	2.2
327.21701	5.3
391.19843	0.6
406.33688	0.5
471.25314	0.5
489.27100	100.0
490.27451	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	489.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94989	0.4
55.01863	0.4
57.03461	0.4
59.01386	100.0
60.01706	0.6
61.98852	0.5
69.99022	0.4
71.01385	10.6
72.99332	0.7
73.02953	20.1
73.31947	0.4
83.01390	3.8
83.58725	0.3
85.02950	2.2
87.00903	0.8
89.02454	4.3
95.01437	0.7
95.65379	0.4
97.02966	0.8
101.02449	10.9
113.02464	4.6
118.56601	0.4
119.03508	2.4
131.03535	0.8
143.03499	0.9
149.04562	0.7
161.02443	0.4
161.04567	2.1
176.46750	0.4
183.01262	2.0
216.40912	0.4
220.29518	0.4
221.92538	0.4
229.14474	1.5
249.18707	0.5
267.19656	2.4
309.15411	0.6
309.20782	0.8
391.19666	2.3
429.24911	2.7
447.26022	5.0
471.26077	3.5
489.21747	3.5
489.27155	71.4
490.27524	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	490.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.2
60.95772	3.7
61.98835	5.9
64.78989	3.7
69.21878	21.0
87.04536	29.1
115.04028	100.0
162.02541	4.1
228.07005	4.3
234.36946	3.9
407.20697	6.8
447.23889	9.7
448.24176	4.7
490.20157	4.4
514.22839	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	490.2006
Annotation	20-O-Methyl-19-chloroproansamitocin
Peak:m/z	Relative Intensity
59.01374	77.8
61.98832	58.5
98.22735	42.3
103.01472	27.5
117.03585	27.9
122.37544	30.9
135.04546	29.9
139.12370	26.9
147.35106	26.7
161.57603	22.3
162.83907	100.0
179.47377	29.8
277.45496	28.9
279.31705	26.7
490.20071	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27414	16.2
69.25327	63.1
69.25739	30.5
87.04524	100.0
119.05007	18.3
122.02554	21.5
173.82091	14.5
215.21201	16.4
234.35043	15.0
387.23926	17.6
489.34991	30.2
519.71924	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	490.201
Annotation	20-O-Methyl-19-chloroproansamitocin
Peak:m/z	Relative Intensity
59.01380	100.0
61.98825	24.4
64.70950	11.9
71.43417	17.5
75.05210	13.4
75.51569	14.0
79.14039	15.1
88.85020	17.0
88.90055	13.0
122.02489	20.7
135.00923	12.9
141.28639	12.0
198.02950	16.3
228.90242	13.4
245.21582	13.2
258.42838	13.0
327.35934	15.8
490.19998	53.6
490.27081	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	490.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09211	3.2
56.39664	3.5
59.01385	99.3
63.58386	4.2
69.03444	4.6
69.95963	10.2
70.24178	3.3
70.47301	3.2
71.01385	54.6
73.02947	14.7
80.84209	3.2
83.01383	4.8
85.02940	20.0
85.85829	4.3
87.00906	5.5
89.02442	34.1
95.01407	5.5
99.00915	6.1
101.02464	29.7
110.00110	7.2
113.02457	21.3
119.05067	7.5
125.02420	9.4
129.32535	3.6
131.03526	14.9
149.04552	12.0
149.99664	3.6
153.01976	6.2
161.04587	14.5
163.00476	4.3
191.05577	7.1
283.02579	4.6
284.02930	11.4
285.03995	37.4
286.04477	47.2
287.05530	8.9
299.05148	7.9
303.10034	4.1
313.07047	4.6
314.07462	20.0
315.18094	14.2
447.22351	100.0
448.22839	4.9
490.10739	10.7
490.27786	17.9
491.12146	10.5
491.28522	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	490.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07037	2.3
59.01400	2.6
61.98856	2.9
70.64651	2.6
70.64987	2.3
72.45955	2.2
87.04518	19.5
90.32217	2.0
97.02923	3.1
115.04020	100.0
117.05560	4.6
140.18750	2.2
146.90775	2.0
161.24878	2.2
171.74501	2.3
254.14786	2.7
299.59238	2.1
307.14368	2.5
350.38885	2.2
355.50229	2.7
371.83206	2.2
447.23965	11.6
490.25977	2.7
497.93011	2.8
503.79288	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	490.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74860	17.9
67.27714	15.7
67.92919	17.2
69.34583	39.3
69.34982	59.7
87.04523	100.0
96.96014	20.2
115.04048	33.2
121.87154	16.8
215.12929	15.2
269.07074	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91819	21.6
51.77308	16.5
56.61043	17.2
63.62988	17.7
69.21743	100.0
100.03452	18.3
124.18934	17.7
269.06915	34.9
295.33200	20.2
301.01324	19.0
450.85449	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	15.9
64.06870	14.9
69.24025	100.0
113.10045	15.6
139.00499	18.1
206.68716	15.6
303.76004	16.6
507.89368	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	490.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16063	40.6
50.83545	41.8
65.58913	40.9
70.98677	50.6
77.85930	37.0
87.35835	38.3
92.49103	44.9
97.26109	38.1
115.79720	40.2
196.15654	44.1
298.07288	100.0
308.99911	41.9
312.09000	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42145	1.1
57.03465	1.9
59.01389	9.1
65.00302	1.7
69.16438	7.5
71.01400	7.0
72.99310	1.2
82.00585	1.6
85.02956	14.6
87.00841	1.5
89.02442	1.4
92.40430	1.2
95.01396	4.9
99.00867	3.2
103.00404	1.1
110.00104	20.3
111.00874	4.6
113.02454	22.4
115.00337	1.2
117.01938	1.6
122.86958	1.1
129.01984	1.9
134.03777	4.4
137.99638	6.0
139.00375	9.3
151.00372	1.2
165.99109	17.2
167.03304	1.5
175.02475	5.4
178.07370	1.5
182.46506	1.1
300.02795	85.4
301.03036	5.0
315.05133	100.0
316.05380	6.7
328.75266	1.3
340.42487	1.2
449.04733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
59.01383	13.6
61.98823	1.2
65.00329	2.3
69.84045	0.5
70.12202	0.4
71.01393	4.5
73.46954	0.6
78.71133	0.4
85.02467	0.6
85.02950	5.1
87.00872	1.7
89.02459	0.7
95.01386	1.7
96.96024	6.1
96.96967	0.6
98.22770	1.1
99.00858	1.7
103.00378	1.1
110.00092	2.1
112.16632	0.5
112.79874	0.5
113.02463	5.5
115.00365	1.0
116.92818	1.1
117.01932	0.6
120.02111	0.8
132.94934	0.5
133.02969	2.1
134.03746	1.2
136.98822	4.7
149.99615	0.6
161.18913	0.5
163.00395	3.3
164.01180	6.2
164.98303	0.6
165.99103	2.4
172.05278	0.5
199.04033	1.0
200.04681	0.6
201.01939	1.5
202.02762	0.6
215.03581	0.7
216.04335	2.4
226.02780	0.7
227.03516	1.6
228.04326	1.2
229.01337	0.5
230.02223	1.9
243.03008	1.1
244.03740	0.8
255.02939	1.1
271.02573	2.6
272.03271	1.0
283.02502	0.8
285.04016	1.5
286.04395	1.6
287.04736	1.9
289.94208	0.6
299.01907	2.0
300.02771	97.8
301.02997	4.8
315.05127	100.0
316.05447	5.6
491.08112	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	491.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.6
65.00311	2.7
68.99819	2.7
71.01382	6.4
72.99303	1.6
83.01404	2.8
85.02959	8.0
92.83833	1.7
95.01381	2.7
98.21896	3.2
99.00869	2.1
99.72382	1.7
108.02179	5.4
110.00127	4.7
110.01437	1.9
111.00923	1.8
113.02467	13.7
119.05025	3.1
119.13756	2.0
123.04517	7.7
124.01643	2.1
125.02448	5.7
125.47864	1.8
125.99652	1.8
133.02956	20.6
134.03760	3.2
135.04538	77.2
136.98802	5.9
137.99603	2.1
139.00345	3.5
149.02461	2.2
149.99591	1.8
151.00381	2.1
152.01157	7.6
153.01913	4.2
153.99092	7.7
161.02467	19.2
164.98299	15.9
165.98981	3.8
166.99895	2.8
167.03506	15.4
179.03528	25.3
180.00685	4.8
181.01404	2.7
185.02383	2.8
187.03981	4.0
215.03392	2.1
216.04283	3.2
227.03468	3.2
244.03999	2.5
252.75017	2.5
255.03049	4.2
271.02615	9.8
272.03378	3.2
285.03900	2.4
287.05563	7.2
299.01987	61.1
300.02762	97.6
301.03064	5.2
311.07797	24.3
313.03488	4.4
314.04364	56.2
314.47064	2.0
315.01669	4.8
315.05093	100.0
316.05365	6.9
323.07770	16.0
329.06686	68.3
330.06982	2.8
447.12726	3.1
491.11871	31.9
491.18665	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	491.083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25352	0.2
56.87763	0.3
57.03441	0.4
59.01385	3.2
59.88757	0.3
64.25659	0.3
65.00326	4.2
65.01750	0.3
68.99834	0.4
71.01393	2.6
72.99297	0.9
73.02949	0.6
73.52058	0.3
76.66979	0.3
82.00576	0.5
85.02956	3.2
87.00877	1.4
95.01389	1.4
97.02950	0.7
98.21915	1.2
99.00880	1.5
101.02427	0.5
103.00380	0.9
103.68033	0.3
110.00102	3.0
111.00878	0.8
113.02462	7.5
115.00377	0.5
117.01962	0.4
119.05036	1.3
123.00860	0.4
123.04535	2.4
124.01663	0.4
124.98764	0.4
127.93416	0.3
129.01936	0.4
131.68321	0.3
132.02191	0.4
133.02968	1.4
134.03740	1.6
135.04533	0.6
136.05536	0.3
136.98814	7.2
137.02429	0.4
137.99582	0.4
139.00423	1.6
141.01878	0.4
149.99583	0.6
150.67300	0.3
151.00299	0.4
153.01947	1.6
153.05588	1.9
160.01678	1.2
163.00334	0.5
164.98309	0.8
165.01996	0.6
165.99068	2.4
166.99829	1.8
172.05281	0.5
174.03239	1.0
175.02481	2.8
175.03993	1.2
180.00682	0.5
181.01457	0.8
183.04698	0.5
185.02475	0.3
188.04858	0.4
193.05150	0.4
199.03998	1.5
200.04787	1.6
201.01923	1.7
202.02707	1.2
203.03543	0.5
211.04059	0.5
213.01968	0.4
214.02846	0.3
215.03470	0.8
216.04295	1.5
226.02713	0.4
227.03510	1.3
228.04353	2.4
229.14369	0.4
230.02180	0.8
243.03003	1.5
243.06784	0.4
244.03708	0.8
254.02296	0.5
255.03012	1.4
256.03799	1.6
269.04562	0.5
270.01645	0.8
271.02481	2.0
272.03464	1.5
282.01709	0.5
283.02606	0.5
285.04001	0.6
286.04736	1.7
287.05655	6.5
288.05945	0.5
298.01205	0.7
299.02014	2.6
300.02768	46.2
301.03217	3.4
313.03479	2.8
314.04361	1.8
315.05121	100.0
316.05444	5.5
337.09354	1.9
429.08185	0.8
491.08441	6.5
491.12537	3.1
492.08133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	0.7
59.01330	14.0
61.98792	1.2
65.00342	2.7
69.08100	2.8
70.52130	0.5
71.01393	6.4
72.99297	0.9
73.02914	1.2
77.22736	0.4
78.03764	0.5
83.01342	0.8
85.02960	5.5
87.00827	1.7
89.02390	1.2
95.01354	1.4
96.95963	0.5
99.00893	2.7
103.00380	0.7
108.02174	0.8
109.02843	0.5
110.00105	4.5
110.92735	0.5
113.02463	6.2
115.00295	0.7
116.92785	0.6
117.01866	0.9
117.03425	1.5
119.04996	0.8
124.98731	0.7
129.01845	0.5
133.02919	2.0
134.03658	0.9
135.03008	2.3
135.04503	0.8
136.98817	4.8
137.99559	0.5
147.00824	0.7
161.02477	0.8
163.00294	0.9
164.01196	0.7
165.99034	4.6
169.61551	0.5
172.05241	0.5
172.43196	0.5
174.03168	1.0
175.02475	0.9
175.03932	1.0
185.02509	0.5
187.04074	0.6
188.04739	1.1
199.03987	1.0
200.04686	0.5
201.01930	2.0
202.99825	1.8
204.35329	0.6
211.03966	1.1
213.01939	0.5
216.04239	2.0
227.03516	2.4
228.04234	1.4
243.03017	2.0
244.03526	0.8
255.02962	2.2
267.02988	0.7
271.02423	1.8
272.03235	1.0
283.02426	1.2
285.03983	3.4
299.02039	3.0
300.02783	90.3
301.03098	4.9
311.01971	1.4
313.03650	1.3
314.04385	1.4
315.05139	100.0
316.05453	5.1
323.01929	3.2
341.02859	1.4
343.04599	0.7
355.04565	2.5
357.06195	2.1
361.22601	0.7
371.04105	1.4
387.07364	2.0
399.06982	0.7
431.06064	0.8
490.30734	4.4
491.08386	8.8
491.31244	1.1
492.09070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
55.16849	0.7
56.25821	0.6
57.03432	1.8
59.01391	3.8
65.00330	3.4
69.03442	1.4
69.14956	0.6
71.01363	3.3
71.41035	0.9
71.86677	0.7
72.99301	1.2
73.02963	1.2
76.79817	0.6
78.38795	0.7
82.00616	1.4
83.01418	0.6
85.02959	4.2
87.00905	1.1
95.01389	2.7
97.02952	2.8
99.00889	9.9
110.00113	6.2
110.63768	0.7
111.00885	7.5
113.02478	4.1
117.03495	1.0
119.05053	4.9
123.00887	9.7
124.01673	0.9
133.02972	2.3
134.03598	0.7
135.04514	0.9
136.98842	3.7
137.02444	1.4
137.99600	1.6
139.00381	11.5
140.01176	8.1
141.01952	100.0
142.02266	2.5
143.05019	1.0
151.00394	1.2
153.01968	2.3
159.04477	0.7
161.02444	3.6
163.00409	1.5
165.01906	0.8
165.99083	4.4
166.99893	2.6
168.00616	1.7
173.06085	0.8
175.02541	1.5
175.03970	1.6
181.06540	1.0
188.04816	1.0
193.01437	1.0
200.04826	1.1
201.05608	0.8
212.97531	0.7
216.04263	1.1
225.05687	1.2
227.03596	0.9
228.04230	1.4
241.05165	1.3
243.02843	0.9
243.06755	0.9
244.07230	0.7
255.03058	0.8
266.58286	0.7
268.03784	1.1
269.04538	3.2
270.01770	1.1
271.02411	0.8
285.03940	1.6
286.04797	3.7
287.05606	26.0
288.05936	1.7
294.32071	0.9
298.01199	2.5
299.02042	3.3
300.02756	26.3
301.03241	1.9
313.03574	7.9
314.04248	2.0
315.05099	46.6
316.05441	2.6
327.05124	0.9
328.34863	0.8
345.08411	2.5
476.09985	1.1
491.12143	30.2
492.12503	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	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05550	1.2
52.65997	1.0
55.49937	0.9
59.01369	3.0
65.00319	3.9
67.18668	1.1
71.01393	3.2
74.52807	1.2
75.00920	1.6
82.04465	1.2
83.01382	1.3
85.02956	1.7
87.64692	1.4
89.02464	1.2
96.99275	1.6
108.02180	13.1
109.02977	2.1
110.00042	1.6
111.00887	1.2
123.04523	5.9
125.02458	3.1
133.02962	44.0
134.03766	2.7
135.04524	25.1
136.98813	8.2
139.00389	1.8
152.01155	27.4
153.01859	2.8
159.04497	2.0
161.02454	72.2
162.02838	1.6
164.98279	21.3
165.99100	5.4
166.49773	1.2
167.03503	30.9
168.15567	1.3
172.99110	1.2
175.04027	1.4
177.02036	1.3
177.05571	5.3
178.02658	1.2
179.03520	18.3
180.00624	5.6
181.01436	2.3
185.02411	1.9
199.04100	2.0
201.01964	2.0
219.02943	1.1
221.04602	6.2
227.03514	2.4
242.02341	1.4
255.03088	1.3
271.02505	10.9
280.06119	2.0
287.05850	1.2
299.01978	74.1
300.02719	21.1
301.03445	1.8
313.03549	4.7
314.04330	78.4
315.01495	3.2
315.04993	24.3
316.05646	1.4
323.07721	80.7
324.08127	3.7
329.06671	100.0
330.06860	8.6
371.07684	3.0
431.09872	1.4
461.67267	1.2
491.12015	55.3
492.12488	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	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.6
61.98848	0.8
62.67276	0.6
65.00323	7.9
66.01115	0.7
68.80238	0.7
68.99825	0.9
71.01386	5.3
72.99306	1.2
73.02946	1.6
82.00609	3.4
83.01395	3.9
85.02947	2.9
87.00886	2.0
89.02451	2.6
93.03451	2.4
95.01392	5.2
97.02931	0.9
98.02559	0.7
99.00865	1.9
101.02449	4.0
107.01376	3.9
109.02967	2.1
110.00111	38.4
111.00939	4.2
113.02453	1.7
117.03457	0.7
119.05043	24.7
121.02965	4.1
123.00914	5.9
124.01665	7.2
124.98917	0.8
125.02484	1.2
133.02950	1.0
135.04538	14.7
136.98807	4.4
137.02455	1.3
137.99611	11.2
139.00398	18.2
141.01968	1.9
143.05089	0.9
148.68872	0.6
149.02483	0.9
151.00388	20.7
152.01183	7.0
152.15633	0.7
153.01950	26.0
154.02208	1.0
159.04510	1.4
164.98250	4.0
165.99091	28.5
166.99876	29.7
173.06003	0.7
175.00349	1.4
175.03998	1.0
177.01834	0.7
178.99876	2.6
180.00641	10.2
181.01448	12.5
185.06136	1.6
192.00443	0.7
193.01482	5.1
201.05534	1.5
212.48149	0.7
225.05647	0.9
229.04970	2.3
230.05792	2.1
240.04323	0.9
241.04985	1.3
243.06531	1.1
245.04541	1.1
254.05733	1.0
255.06735	1.8
258.05322	1.4
259.06055	2.9
268.07474	1.3
269.04559	2.5
269.08173	3.1
270.08850	1.9
281.08261	6.5
283.09735	2.9
285.04019	4.8
286.04837	37.3
287.05624	81.0
288.05872	4.3
299.01968	0.8
299.05637	1.1
299.09186	2.6
300.02664	2.0
300.10065	1.3
314.11560	4.9
315.05029	2.0
315.12332	2.6
329.06531	1.6
329.13962	4.5
335.16870	0.8
341.95465	0.7
343.11847	2.0
357.13385	0.7
363.26151	0.7
371.06354	2.2
431.09839	7.7
449.10925	2.1
461.14691	1.9
476.16870	4.1
491.11887	100.0
491.19226	53.9
492.12250	10.3
492.19635	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	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78238	0.6
59.01365	1.8
65.00330	5.3
66.35635	0.5
68.99825	1.4
69.15310	2.9
71.01386	0.7
76.58872	0.6
79.01846	0.7
79.03725	0.5
81.03479	0.8
82.00618	5.7
83.01399	1.9
87.97781	0.5
91.40779	0.6
93.03468	2.3
94.03857	0.6
95.01396	6.9
96.99353	1.0
97.02977	0.7
109.02963	1.2
110.00108	35.2
111.00909	6.7
117.03511	0.8
119.05036	24.8
121.02911	0.9
123.00887	7.1
124.01698	6.2
124.98804	0.9
125.02445	1.5
135.00862	0.8
135.04558	4.2
136.98816	5.6
137.02438	1.9
137.99602	9.5
139.00391	22.0
141.01979	3.3
143.05042	1.1
145.02997	3.1
148.01634	0.6
151.00366	1.1
152.01161	5.9
153.01955	28.1
161.02567	1.2
163.00446	0.7
164.98322	2.0
165.99088	24.0
166.99881	30.3
173.06126	1.3
176.01175	0.7
178.99866	1.7
179.03520	3.5
180.00676	6.9
180.05795	0.6
181.01434	13.7
181.06639	1.3
185.00896	1.1
185.06120	1.6
187.04118	0.6
189.05638	0.7
193.01398	5.2
197.06070	1.7
199.04019	1.1
201.05560	1.1
213.05609	1.3
215.07208	0.7
225.05634	1.8
229.05128	2.0
230.05809	2.2
241.05067	5.5
243.06645	1.8
255.06741	0.8
257.04626	0.8
258.05472	0.9
259.06143	2.6
269.04630	8.5
285.03989	1.5
286.04840	31.4
287.05621	100.0
288.06067	6.0
298.04825	0.8
299.05576	1.1
300.02835	1.1
315.05069	1.0
345.08127	1.1
371.06189	3.8
431.09949	3.0
449.10913	0.9
473.11285	0.5
491.12006	57.9
492.12314	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	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04612	0.9
59.01377	2.4
65.00317	4.4
69.50471	3.7
79.79920	0.9
80.65218	0.8
81.03503	1.0
82.00600	4.6
83.01406	2.3
85.02921	1.0
88.52057	0.8
93.03455	2.7
95.01410	5.8
97.02982	1.2
109.02984	1.3
110.00111	25.0
110.00866	1.2
111.00940	5.7
117.03443	0.9
119.05039	25.5
121.03001	0.8
123.00896	4.6
124.01699	5.3
125.02480	1.4
128.11725	0.9
135.00845	1.4
135.04543	13.0
135.74445	0.7
136.98804	4.8
137.02452	1.1
137.90854	0.7
137.99606	6.6
139.00386	17.7
140.01157	0.8
141.01967	3.8
143.05026	0.9
145.02934	2.0
149.02534	1.0
151.00446	1.1
151.22337	0.9
152.01161	5.2
153.00711	1.3
153.01955	26.7
161.02483	2.0
164.98293	2.0
165.01971	1.1
165.95363	0.8
165.99089	21.6
166.99875	30.7
167.03578	1.6
173.06061	0.9
178.99918	2.8
179.03499	15.3
180.00661	6.5
181.01451	15.4
181.06563	1.2
182.42526	0.8
185.00946	1.6
185.06052	1.3
187.03917	1.2
193.01395	4.8
197.06172	1.1
201.05656	1.0
208.88879	0.8
213.82137	0.8
216.53888	0.9
225.05544	1.6
229.05058	1.4
230.05771	1.7
241.05031	5.5
243.06657	1.5
258.05405	1.4
259.06082	3.3
269.04568	7.5
285.04294	0.8
286.04858	26.3
286.08075	1.3
287.05627	100.0
288.05994	5.1
299.05417	0.9
300.02673	0.8
315.05276	1.1
323.07800	1.1
347.84772	1.2
371.06232	3.4
391.61276	0.8
431.09921	1.0
491.12012	56.0
492.12277	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	491.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.0
69.13814	2.3
69.14219	3.3
69.76141	0.8
71.01385	3.5
72.99294	2.8
73.02930	1.7
81.86314	1.0
83.01415	1.1
85.02950	3.9
87.00893	1.1
89.02408	0.9
91.01891	0.8
99.00880	2.0
101.02429	2.1
107.05038	1.0
108.02162	3.6
109.02969	6.1
113.02460	1.5
117.03506	1.0
119.05044	1.6
121.02962	1.1
122.83436	0.9
123.04497	1.8
129.01965	1.5
132.02213	1.1
133.02980	10.7
134.03729	8.1
134.20222	0.8
135.04538	100.0
136.04865	3.2
136.98892	1.0
147.02951	0.9
149.06042	0.9
151.00383	1.3
152.01151	4.0
153.01942	8.4
160.01675	2.7
161.02457	33.3
165.05482	1.0
167.03577	5.0
175.03998	2.2
177.05582	1.7
179.03513	100.0
180.03873	3.7
189.27245	1.1
193.05054	2.8
209.04518	1.6
221.04489	2.6
251.05536	1.4
255.03040	1.2
256.15750	0.9
284.03210	1.4
285.03836	2.4
286.04147	3.1
287.05496	4.1
297.06180	1.8
300.02676	6.1
300.05914	1.7
301.03229	1.6
301.06610	1.1
311.07767	4.1
315.04633	5.2
323.07739	13.4
341.08694	1.4
382.31714	1.0
448.92181	1.0
481.46777	0.9
491.11798	14.6
491.18637	2.1
491.29742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31039	0.6
58.96907	0.5
59.01386	7.1
65.00336	6.4
67.01907	0.6
68.99812	1.1
71.01387	1.8
72.99328	0.9
73.02939	1.2
73.12268	0.5
82.00607	3.6
83.01395	3.0
85.02921	1.0
93.03457	2.6
95.01392	4.8
96.99245	0.6
97.02924	0.7
98.22674	1.4
99.00864	1.1
99.92612	3.1
100.93369	3.7
101.02455	1.2
107.01403	3.7
109.02934	1.5
110.00111	32.2
111.00916	5.3
113.02442	1.3
115.92088	5.6
116.92877	27.3
117.03436	0.6
117.92900	1.1
119.05041	24.5
121.02949	1.0
122.69592	0.6
123.00905	4.8
123.04527	1.0
124.01690	5.9
124.98828	0.9
125.02463	1.4
134.03767	0.8
135.04553	12.4
136.98830	5.0
137.02458	1.6
137.99619	9.5
139.00404	20.9
140.01154	0.5
141.01949	1.0
142.94487	0.6
143.05037	0.9
145.02977	1.0
146.89345	0.6
149.02423	0.6
150.99170	1.1
151.00397	19.6
152.01201	6.0
153.01959	23.5
156.92352	0.7
161.02477	0.7
164.01215	0.6
164.04738	0.6
164.98332	2.9
165.01877	0.7
165.99098	23.5
166.99887	29.2
168.00240	0.6
173.06068	0.7
175.00357	0.8
177.01831	0.7
178.99858	1.8
179.82486	0.6
180.00664	8.4
181.01448	14.2
185.00908	0.7
185.06102	1.7
187.04057	0.8
188.04945	0.5
190.02757	1.7
192.80954	0.7
193.01471	5.4
201.05588	1.1
205.05055	1.6
223.97495	0.6
229.05150	1.9
230.05867	1.7
241.05038	1.7
243.06596	1.4
258.05331	1.5
259.06125	2.9
269.04510	1.7
285.04001	3.5
286.04861	34.1
287.05627	77.2
288.06009	4.5
299.05627	1.3
300.02847	1.3
315.05167	1.7
329.06689	0.8
367.10211	1.4
371.06366	0.8
387.07809	0.9
431.09940	2.4
447.09732	0.9
449.10718	1.3
491.12039	100.0
492.12448	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31039	0.6
58.96907	0.5
59.01386	7.1
65.00336	6.4
67.01907	0.6
68.99812	1.1
71.01387	1.8
72.99328	0.9
73.02939	1.2
73.12268	0.5
82.00607	3.6
83.01395	3.0
85.02921	1.0
93.03457	2.6
95.01392	4.8
96.99245	0.6
97.02924	0.7
98.22674	1.4
99.00864	1.1
99.92612	3.1
100.93369	3.7
101.02455	1.2
107.01403	3.7
109.02934	1.5
110.00111	32.2
111.00916	5.3
113.02442	1.3
115.92088	5.6
116.92877	27.3
117.03436	0.6
117.92900	1.1
119.05041	24.5
121.02949	1.0
122.69592	0.6
123.00905	4.8
123.04527	1.0
124.01690	5.9
124.98828	0.9
125.02463	1.4
134.03767	0.8
135.04553	12.4
136.98830	5.0
137.02458	1.6
137.99619	9.5
139.00404	20.9
140.01154	0.5
141.01949	1.0
142.94487	0.6
143.05037	0.9
145.02977	1.0
146.89345	0.6
149.02423	0.6
150.99170	1.1
151.00397	19.6
152.01201	6.0
153.01959	23.5
156.92352	0.7
161.02477	0.7
164.01215	0.6
164.04738	0.6
164.98332	2.9
165.01877	0.7
165.99098	23.5
166.99887	29.2
168.00240	0.6
173.06068	0.7
175.00357	0.8
177.01831	0.7
178.99858	1.8
179.82486	0.6
180.00664	8.4
181.01448	14.2
185.00908	0.7
185.06102	1.7
187.04057	0.8
188.04945	0.5
190.02757	1.7
192.80954	0.7
193.01471	5.4
201.05588	1.1
205.05055	1.6
223.97495	0.6
229.05150	1.9
230.05867	1.7
241.05038	1.7
243.06596	1.4
258.05331	1.5
259.06125	2.9
269.04510	1.7
285.04001	3.5
286.04861	34.1
287.05627	77.2
288.06009	4.5
299.05627	1.3
300.02847	1.3
315.05167	1.7
329.06689	0.8
367.10211	1.4
371.06366	0.8
387.07809	0.9
431.09940	2.4
447.09732	0.9
449.10718	1.3
491.12039	100.0
492.12448	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	491.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03580	0.7
59.01388	8.9
65.00339	7.6
68.99850	0.9
69.52981	3.3
71.01389	1.9
72.99332	0.9
73.02950	1.2
81.03435	1.3
82.00620	6.4
83.01396	2.3
93.03466	2.7
95.01398	3.9
97.02936	1.3
101.02445	0.7
107.01409	1.2
109.02977	1.0
110.00114	40.7
111.00938	5.5
113.02498	1.2
119.05047	29.1
121.02952	1.8
122.00137	0.8
123.00890	5.5
124.01713	6.1
124.98761	1.0
135.00864	0.8
136.98827	6.6
137.02437	1.4
137.99617	11.4
139.00400	22.9
141.01984	1.3
143.05038	1.1
145.02960	1.4
149.99580	0.8
151.00385	2.1
152.01154	7.4
153.01962	26.1
154.02316	1.0
164.98314	1.9
165.01991	0.8
165.97668	0.9
165.99104	27.1
166.99873	31.8
167.03506	1.1
168.00243	1.1
173.06079	0.8
178.99838	2.4
179.07182	0.8
180.00670	10.9
181.01451	15.1
185.00958	1.1
185.06076	2.0
187.04060	0.8
193.01439	5.3
201.05554	1.5
225.05713	0.8
229.05063	2.4
230.05830	2.4
241.05167	2.1
243.06602	1.7
245.04628	0.8
258.05307	1.4
259.06137	3.8
269.04568	1.6
281.04944	0.9
285.04047	5.3
286.04852	39.3
287.05640	70.7
288.06042	4.1
300.02780	1.1
315.05185	2.1
329.06421	1.4
371.06061	1.4
431.09796	2.5
449.27902	1.0
491.12003	100.0
491.23215	2.7
492.12387	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	491.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66512	1.4
65.00336	4.7
68.99821	1.4
78.97400	1.5
82.00623	5.1
110.00105	57.5
123.00877	4.0
123.20995	1.5
136.98828	1.8
137.99617	13.4
139.00375	2.2
164.98306	5.1
165.99089	45.9
166.99661	1.4
178.99875	2.9
202.03415	1.6
213.05740	2.0
214.06512	1.7
241.05080	2.1
242.05745	1.9
242.67160	1.6
243.06654	3.2
269.04541	22.5
270.05344	100.0
271.06042	25.6
505.24661	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
59.01382	10.9
66.17863	0.8
67.01918	1.1
70.36991	1.4
71.01387	10.1
73.02961	2.1
77.07246	0.7
81.03484	1.4
83.01392	2.0
85.02966	3.0
87.00889	4.0
88.96769	0.7
89.02451	3.8
91.01897	7.4
95.01377	1.4
97.02925	1.4
97.47957	0.8
99.00865	1.9
101.02461	5.2
107.01422	3.5
108.02181	9.5
109.02985	4.6
111.00911	1.8
113.02456	5.7
116.27968	0.7
117.01952	1.6
119.03534	0.9
121.22725	0.7
122.03799	1.6
123.00929	1.4
123.04541	30.9
125.02460	3.3
147.27313	0.8
150.03262	3.3
151.00381	10.7
152.01167	13.3
153.01990	1.7
161.04558	3.8
162.24573	1.0
166.02725	16.9
167.03511	100.0
168.03874	2.8
179.05634	6.2
181.05075	11.9
181.13000	0.9
194.02229	10.1
195.78059	1.0
209.04564	84.7
210.04893	3.5
229.68204	0.8
239.05643	11.6
251.05722	1.4
255.05191	1.1
269.06677	34.2
270.07059	1.0
311.07785	6.5
323.09866	1.6
329.08801	5.7
386.73447	0.8
388.30991	0.9
443.88205	1.0
491.14096	54.3
492.14752	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	491.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.6
59.01386	4.8
59.66559	0.9
71.01414	2.5
73.02970	1.2
81.03477	5.0
83.01382	8.3
85.02991	2.3
93.03474	2.1
95.01397	1.4
95.05037	5.0
97.02945	2.2
98.22704	1.8
99.04543	2.8
107.05030	1.1
109.02969	1.8
110.94099	1.7
111.04493	2.0
112.93849	1.3
113.02475	3.5
121.02988	2.3
123.04548	16.3
125.02464	9.3
135.04510	3.6
137.02425	2.5
137.06100	7.2
139.04036	7.3
141.05563	1.0
147.04585	1.9
149.06105	1.5
151.04015	2.8
155.03503	1.3
158.47366	1.1
161.06055	1.1
163.04041	3.0
163.07689	1.5
164.04851	1.5
165.01932	2.7
165.05627	3.7
166.02510	1.0
167.03511	30.3
177.05609	2.7
179.03514	6.1
179.07024	1.1
180.04237	1.4
181.05136	1.3
189.05577	2.3
191.03525	1.4
191.51796	0.9
193.05019	4.7
197.04526	2.6
204.92267	1.4
206.92035	1.2
209.04564	41.3
221.04543	8.6
223.06136	1.1
228.65413	1.1
233.04599	1.5
235.06108	2.7
239.05618	13.7
240.55411	1.0
248.03421	1.2
251.05632	100.0
252.05951	3.8
263.05652	5.2
265.07010	1.2
267.30994	1.1
269.06674	1.8
270.34116	1.0
281.06699	65.2
282.07068	2.8
293.06708	4.2
311.07751	18.0
311.11090	2.0
323.07874	1.2
353.08694	7.1
371.09879	23.8
371.43805	0.9
372.10367	1.7
383.09827	3.5
393.05661	0.9
401.10925	1.8
422.98972	1.1
491.14136	16.0
492.14209	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	491.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90323	0.9
54.36064	1.1
59.01393	6.4
60.99305	15.7
61.98826	2.3
70.37172	2.5
71.01373	3.3
85.02942	1.8
87.00883	1.4
88.98812	100.0
89.02445	7.3
95.01389	1.3
96.96003	2.5
111.00880	2.3
113.02477	2.7
121.60336	1.0
123.04542	1.3
123.92736	1.0
125.02437	1.0
133.02983	1.2
134.03767	2.0
136.98883	1.6
139.00336	1.8
147.00818	1.0
149.02444	1.7
149.06032	1.1
150.03230	2.2
151.00362	1.7
153.27289	1.0
160.01582	1.1
165.05554	3.2
167.03490	2.9
175.04004	1.4
180.04286	1.3
186.72536	1.3
193.05042	2.3
195.06604	2.3
202.37445	0.9
213.81136	1.2
235.06133	2.4
271.02350	1.4
287.02106	2.1
297.00284	2.3
301.03552	7.9
315.01434	7.5
401.14636	3.4
491.04697	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	491.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.3
65.00310	0.7
69.03443	0.5
69.08891	3.8
70.04858	0.5
71.01043	0.7
71.01372	3.4
73.02958	0.9
85.02979	1.0
87.00887	5.2
89.02471	1.8
91.01897	10.5
95.01360	0.7
97.02972	0.7
98.21895	1.1
101.02450	4.9
108.02178	9.9
109.22338	0.5
111.00890	0.6
112.03207	0.5
113.02455	1.7
115.19579	0.5
123.00955	0.7
123.04535	36.0
124.01662	0.9
124.04890	0.5
125.02406	1.1
143.03494	2.3
148.82243	0.5
151.00417	0.5
152.01181	7.7
161.04593	4.3
166.02715	1.5
167.03506	100.0
168.03868	2.9
179.05574	3.1
181.04999	1.0
209.04538	6.7
219.43669	0.5
222.36792	0.5
239.05603	1.4
269.06586	1.4
311.08182	0.8
314.50565	0.5
323.09933	4.6
329.08887	0.6
491.14111	21.2
492.14261	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	491.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84063	1.1
55.01881	1.8
57.03452	4.5
59.01389	15.9
61.98833	2.5
65.00304	1.7
69.86277	3.6
71.01386	38.5
73.02965	1.2
74.12055	1.2
76.59149	1.0
83.01431	1.6
84.02166	1.8
85.02954	43.9
87.00893	1.8
89.02451	9.6
93.03463	8.0
95.01395	20.3
95.01950	1.9
101.02430	1.2
113.02459	100.0
114.02800	2.3
121.02965	54.8
122.03310	1.6
123.04535	3.2
139.25523	1.1
143.03500	5.2
152.01160	2.3
157.72026	1.2
161.04582	18.0
165.01936	43.9
166.02296	1.3
167.03481	9.8
209.04497	3.1
259.78406	1.3
279.19669	1.1
305.46292	1.3
462.75766	1.2
491.13779	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	491.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43746	0.6
57.03440	0.6
59.01383	1.5
65.44009	0.6
69.91661	1.3
71.01366	0.6
81.03468	8.6
83.01400	4.6
85.02989	0.7
93.03480	1.2
95.01376	1.7
95.05041	10.5
97.02960	3.8
99.04554	3.0
109.02928	0.9
109.06601	0.6
111.04517	1.3
119.04961	0.9
121.02955	1.0
122.03757	0.9
122.75932	0.5
123.04545	14.8
125.02464	20.9
135.04619	0.7
137.02487	3.2
137.06085	13.0
138.06320	0.6
139.04018	2.9
141.05623	0.8
147.04552	0.8
149.02412	1.0
149.06122	0.9
151.03996	1.0
155.03468	1.4
163.04028	1.4
165.01942	1.3
165.05574	3.4
166.02678	0.6
167.03513	55.5
168.03871	1.6
177.05615	1.5
179.03517	9.2
180.04247	1.9
181.05116	3.6
188.78377	0.6
191.03575	1.7
193.05058	2.0
197.04547	4.1
205.05069	1.3
206.02174	0.8
207.03021	0.9
209.04567	100.0
210.04909	3.2
221.04561	4.8
233.04527	3.5
239.05635	27.0
240.05890	1.4
251.05522	3.1
263.05688	1.5
281.06769	1.0
311.07605	1.0
341.36194	0.5
371.09839	49.8
372.10269	2.8
401.10928	20.9
413.10880	1.9
443.12601	0.7
473.13113	1.7
491.14511	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	491.1409
Annotation	Pregnenolone-3,21-disulfate
Peak:m/z	Relative Intensity
58.53490	1.0
59.01384	18.0
61.98825	1.9
65.00320	1.2
67.01867	1.7
71.01398	10.0
71.05038	1.1
72.99313	4.3
73.02928	2.6
75.00880	85.0
76.01199	1.0
81.03453	5.0
83.01379	1.7
84.47195	0.9
85.02962	5.5
87.00878	6.9
87.04528	2.0
89.02457	3.2
91.01900	5.2
95.01398	1.7
97.02954	1.2
99.00912	2.1
99.04527	2.4
101.02439	4.1
107.01400	3.1
108.02189	8.7
109.02996	5.6
111.00898	1.8
113.02472	3.3
119.03510	1.5
123.00880	1.5
123.04536	24.2
125.02441	3.2
129.26958	0.9
137.02530	1.3
139.00406	1.5
143.03519	3.1
150.03233	1.8
151.00386	8.8
152.01158	12.0
153.01921	5.5
161.04570	5.4
163.04033	0.9
165.05489	1.0
166.02715	12.7
166.50929	1.0
167.03516	65.2
168.03923	1.1
176.10535	0.8
179.05690	1.0
181.05070	7.3
191.90666	1.0
193.05077	1.3
194.02235	8.2
195.02980	7.3
209.04570	56.8
210.04947	1.9
239.05728	5.4
255.05103	8.3
269.06747	13.2
305.08896	1.3
311.07666	2.5
315.01416	1.9
329.08661	1.8
341.10910	21.2
371.10184	1.9
381.37619	0.8
385.11368	3.8
397.11517	2.1
441.10391	2.1
455.12268	1.3
459.11377	9.7
473.13318	3.6
491.14105	100.0
492.14310	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77370	0.9
55.01884	1.1
59.01377	4.6
61.85739	0.8
65.00333	1.3
67.01895	1.8
68.28481	0.9
68.99830	2.0
69.67438	2.5
71.01382	7.4
73.02940	2.0
81.03455	5.8
83.01398	2.6
85.02960	3.9
87.00875	1.8
91.01905	2.5
95.01392	2.8
96.99304	1.6
97.02959	2.2
99.00861	1.7
101.02432	4.8
102.94652	1.0
107.01405	15.8
108.02184	19.9
109.02975	11.7
111.00910	2.1
113.02460	3.7
119.05052	1.1
120.59542	0.8
121.02919	1.4
122.03773	1.3
123.00898	3.0
123.04533	19.6
124.01703	1.8
125.02457	4.9
133.02972	1.5
135.04515	2.6
135.24904	0.8
136.01703	0.9
136.98819	1.1
139.00352	1.4
145.02979	2.5
146.03755	54.7
147.04230	2.0
151.00389	14.7
151.04099	1.3
152.01176	26.1
153.01950	14.3
161.06102	20.3
162.03252	1.7
163.04002	2.4
164.04802	38.8
164.98251	4.3
165.05415	1.8
165.99078	1.3
166.02733	4.0
167.03511	61.3
168.03860	2.5
177.05588	1.6
179.07146	75.4
180.00612	1.9
180.07506	3.4
195.02963	1.2
201.01930	1.6
251.05602	2.5
271.02487	1.2
287.27487	1.0
296.05472	7.3
299.02023	13.9
301.07138	2.3
311.07748	100.0
312.08176	5.1
313.03622	1.4
314.04355	8.5
315.05096	2.5
329.06711	24.4
330.07092	2.2
415.61435	1.1
491.15674	74.4
492.16013	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66146	1.6
59.01384	100.0
61.98838	3.0
69.30436	8.1
98.21845	2.5
108.36651	1.8
138.34920	1.8
145.04884	1.8
192.62590	1.7
291.53711	1.7
349.16879	3.8
409.19086	2.7
431.20947	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	491.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22627	0.4
59.01384	2.7
61.98800	0.7
62.50568	0.4
71.40611	0.5
75.85763	0.4
82.95415	1.1
85.02979	0.4
111.00951	0.5
117.03484	0.8
135.04533	0.5
160.69116	0.4
175.04065	0.6
188.04878	0.8
223.79440	0.5
239.82278	0.4
255.10384	0.7
269.11871	0.8
270.12576	0.8
283.13489	0.5
285.14990	21.9
286.15366	1.2
311.05551	0.6
311.13168	0.9
311.16565	6.0
313.14465	0.9
327.15994	1.5
328.16739	1.2
329.17624	100.0
330.17923	8.1
491.22858	14.1
492.23550	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	491.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26241	1.2
59.01386	100.0
69.21231	2.8
69.21634	4.1
69.57166	1.1
71.39535	1.3
79.91692	1.1
97.02960	1.2
115.08715	1.8
125.07289	1.3
166.04669	1.1
272.34506	1.2
311.16602	1.9
431.20718	8.3
491.26733	12.8
492.26895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99406	34.0
59.85230	32.5
70.25890	95.9
72.03414	36.7
79.72926	41.1
90.54671	33.2
96.96029	41.5
113.06156	31.6
121.02948	100.0
144.42375	38.2
145.87370	41.7
148.63846	35.7
272.02982	35.4
298.07483	69.2
312.08917	52.2
409.19135	98.4
411.57269	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03447	1.0
58.00581	0.5
59.01386	26.5
65.03650	0.4
68.38906	0.4
68.99812	0.4
69.03459	1.0
71.01391	12.2
72.99311	1.1
73.02953	4.3
82.67074	0.4
83.01406	2.4
85.02960	5.4
86.70385	0.4
87.00886	2.8
89.02455	1.6
95.01395	1.3
97.02969	0.8
99.00887	1.4
99.08176	0.5
101.02457	7.0
110.00146	0.5
111.00912	0.9
113.02444	3.7
119.05064	0.5
124.01664	0.7
125.02466	1.8
135.04530	0.6
141.12895	0.8
143.03520	0.7
143.65721	0.4
161.04616	0.6
171.10265	1.2
194.56259	0.4
211.13435	1.4
229.14417	1.1
241.21832	0.9
251.19836	0.5
269.21338	2.0
287.05502	0.9
287.22308	27.2
288.22607	1.5
299.22366	0.6
301.23807	0.9
329.23273	5.4
401.25491	0.6
431.26529	15.6
432.26807	1.2
449.27597	39.0
450.17374	0.5
450.27835	2.4
491.28671	100.0
492.29065	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59594	0.6
55.01859	1.1
57.03440	0.8
59.01385	33.7
61.94734	0.6
69.03454	0.7
69.75656	1.5
71.01386	12.5
72.99299	0.7
73.02950	4.3
83.01394	2.7
85.02959	6.7
86.00082	1.0
87.00880	4.5
89.02465	3.8
94.18632	0.6
95.01389	1.5
95.02656	0.5
97.02935	1.1
99.00836	1.3
101.02444	8.4
112.01688	0.9
113.02475	4.2
119.03561	0.8
124.01671	1.0
125.02445	1.8
127.11271	0.9
143.10881	0.7
171.10295	2.4
176.35223	0.6
211.13423	1.0
241.21735	0.7
269.21381	3.2
287.22302	36.1
288.22546	1.9
293.21213	1.9
299.22333	1.4
311.22293	1.2
324.66837	0.6
329.23349	3.3
431.26572	18.0
432.27057	1.3
449.27588	37.4
450.27899	2.4
491.28644	100.0
492.29047	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	491.2868
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01869	0.4
57.03444	1.5
59.01385	7.0
61.98832	0.4
69.03438	0.4
69.31709	0.7
69.32095	1.1
71.01385	5.9
71.05010	0.4
73.02964	2.0
81.03447	0.4
83.01394	1.0
83.05028	0.7
83.32765	0.3
85.02957	3.4
87.00908	0.4
89.02445	1.6
95.01414	0.5
99.00886	0.7
99.04501	0.4
99.08157	1.2
101.02448	3.2
103.13990	0.3
112.77119	0.3
113.01751	0.4
113.02448	2.1
115.58907	0.3
119.03539	0.5
125.09749	1.1
127.11288	2.0
127.69656	0.3
129.01938	0.4
129.09230	0.6
139.11324	1.8
155.14445	1.1
161.04576	0.3
165.12843	0.5
167.14459	0.7
171.10294	8.2
181.12253	0.5
183.13924	1.8
185.11859	0.8
193.12305	0.9
195.13896	0.5
197.11879	0.9
199.13373	0.8
209.11810	1.6
211.13403	14.0
212.13802	0.4
229.14453	32.9
230.14758	1.5
235.13374	0.5
269.82681	0.3
287.22232	1.1
289.21811	0.4
293.21255	5.0
311.22314	4.2
313.23715	1.6
329.23349	20.0
330.23682	1.2
348.58139	0.3
391.19717	2.8
398.97470	0.3
419.19452	0.3
431.26660	1.6
449.27933	1.5
473.27066	0.4
491.28656	100.0
492.28958	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	492.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72960	1.5
55.40121	1.5
59.01381	15.6
61.98832	17.3
65.99852	56.6
68.99841	1.9
71.01373	7.0
85.02950	5.4
87.00883	2.1
89.00343	1.5
95.01407	3.5
98.22712	3.7
99.00897	1.9
101.02475	2.8
104.08133	1.5
106.26218	1.8
108.02179	1.8
113.02451	17.1
120.99320	4.4
128.05074	41.9
160.98856	4.8
163.00389	4.2
167.03508	3.3
170.06134	38.4
171.04543	3.7
175.02490	6.5
176.00983	1.9
184.00371	3.8
188.98286	7.0
190.99837	2.7
193.06764	2.2
196.61580	1.8
209.04482	3.8
211.99847	1.7
216.08188	2.7
216.97795	2.7
221.06250	2.4
229.16531	1.9
232.07547	2.6
234.05614	21.9
237.05386	2.1
242.00888	2.1
248.07147	7.3
249.05652	3.0
253.05064	28.5
260.06985	2.1
265.05099	9.2
267.06665	5.7
270.07050	2.4
272.07089	2.2
276.06659	5.1
288.06781	3.4
292.06201	3.3
293.04630	10.9
295.06055	12.0
300.06540	6.0
315.05145	2.1
316.06091	16.3
321.04031	11.1
339.05112	21.7
340.05374	2.1
344.05643	25.2
372.10132	2.1
388.04526	8.6
391.92877	1.6
404.12775	3.7
406.11078	2.0
420.12311	4.8
423.08209	1.8
429.08182	3.3
431.26266	2.2
448.11917	35.4
449.12201	2.9
492.10873	100.0
493.11050	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	492.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
61.98837	100.0
68.04390	1.1
69.16713	6.4
71.01412	1.3
73.02946	7.5
83.01404	1.5
101.02464	2.7
109.02974	1.5
113.02475	1.2
115.92136	1.3
116.92874	11.1
119.04980	1.2
123.00871	1.2
141.92435	1.1
151.00407	17.7
151.03685	1.4
152.03468	1.3
165.62708	1.2
166.02725	32.6
178.79298	1.2
181.01488	1.5
181.05087	51.5
182.05376	2.6
185.17584	1.2
194.05502	1.5
196.02649	1.5
336.69147	1.5
492.16208	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27668	2.9
59.01392	24.3
60.17103	3.2
61.98841	6.3
64.57903	3.2
69.54456	14.7
71.01405	5.7
73.56210	3.3
80.62212	2.9
97.07726	3.1
109.02945	4.5
113.02441	4.1
119.50052	3.3
133.02975	36.8
143.37010	3.0
151.04039	3.3
161.02603	3.9
213.14943	3.6
249.07668	3.3
251.09290	8.2
299.02032	6.4
300.02451	10.4
311.05814	4.8
313.94507	3.2
329.06638	6.5
330.06955	8.3
339.05283	3.8
339.30872	3.3
353.10461	3.5
397.09512	3.7
429.11972	100.0
430.12180	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	492.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	84.0
61.98838	20.0
69.53658	7.6
69.54046	9.2
71.01387	34.3
73.02957	12.9
78.54482	4.1
83.01402	9.0
85.02950	19.1
89.02487	6.4
99.00883	5.6
101.02438	24.5
105.36057	3.7
113.02466	12.9
117.03451	5.3
119.05067	4.9
133.02939	30.2
143.03488	3.9
161.04637	8.9
167.03505	3.7
175.04118	4.7
185.81027	3.4
233.99269	3.5
251.09210	9.5
255.03061	8.5
267.91748	3.8
273.64151	3.2
283.02457	14.1
285.04028	4.6
289.16693	4.4
429.11935	100.0
430.12054	9.6
431.26257	6.1
432.26959	5.8
447.04749	4.4
451.21902	14.3
472.13626	3.8
491.28842	5.7
493.23181	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	493.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27080	1.7
57.03444	5.0
57.97997	1.8
59.01384	20.0
61.88746	1.4
65.00333	5.9
69.87086	4.1
69.87447	3.8
71.01390	14.4
73.02944	2.1
75.00877	4.4
82.00616	6.5
85.02963	37.4
87.00887	5.4
89.02453	3.3
91.90124	1.7
95.01396	12.9
99.00877	11.5
103.00393	5.6
110.00101	15.9
111.00919	3.3
113.02461	88.7
114.02794	2.0
117.01978	4.7
117.03600	1.9
124.01630	4.5
125.99587	2.4
129.01939	3.0
135.04541	84.9
136.04927	2.2
136.98814	4.4
137.02448	15.7
139.00409	12.4
140.01222	2.5
152.01212	3.6
155.03525	7.6
157.02698	1.7
161.02458	6.0
165.99084	37.4
166.99899	32.3
175.02492	36.9
180.00691	7.0
181.01445	85.7
193.20874	1.9
214.09137	1.6
216.04297	3.2
258.05710	2.0
284.03189	5.2
302.04361	20.6
317.06680	100.0
318.06979	6.9
359.08090	2.3
381.56686	1.9
428.05185	2.1
429.01175	1.9
493.10107	12.9
502.98270	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	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.0
59.01380	13.3
65.00330	3.9
68.99848	2.3
71.01383	10.4
72.99303	1.6
73.02922	1.5
75.00869	6.3
81.54108	1.5
83.01414	1.6
85.02955	23.9
87.00885	3.0
89.02473	1.9
95.01408	9.1
98.21866	4.8
99.00877	9.8
103.00362	4.8
110.00106	10.4
111.00861	4.1
113.02457	64.9
114.86707	1.4
117.01965	4.6
121.23473	1.4
123.00879	1.8
124.01664	4.4
129.01886	3.9
133.02959	2.0
134.03772	3.4
135.04541	58.5
136.04831	2.4
136.98799	3.4
137.02420	8.3
137.99559	1.7
139.00398	13.9
149.06073	1.7
152.01158	6.0
153.01935	5.3
155.03520	5.8
161.02454	4.6
165.99084	28.2
166.99878	25.8
175.02493	27.5
180.00659	6.9
181.01443	58.9
181.03053	2.9
182.01744	2.9
193.01437	1.4
216.04323	1.9
233.82814	1.6
238.41382	1.4
256.03851	2.1
284.03381	3.7
289.07483	2.2
302.04312	16.5
317.06677	100.0
318.07016	5.9
493.09744	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	493.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92391	0.9
53.98653	0.9
54.79116	1.2
57.03445	3.5
59.01386	9.5
65.00332	1.6
69.35516	2.6
69.35918	1.8
71.01386	7.6
72.99308	2.1
75.00888	2.9
78.08456	0.8
79.95733	6.6
83.01379	1.9
85.02964	12.9
87.00871	2.6
87.04522	20.2
89.02447	1.5
95.01431	4.8
96.96032	4.1
99.00891	6.9
101.02477	1.5
101.74081	0.9
103.00389	3.7
108.02210	1.5
110.00114	5.9
111.00893	10.7
112.01696	1.6
113.02466	32.8
117.01958	1.4
117.03474	3.5
123.04503	1.7
124.01630	0.9
125.02454	3.8
129.01990	1.4
133.02977	2.0
134.03752	1.5
135.04553	3.4
136.98793	1.6
137.02473	1.9
137.99622	1.2
139.00394	10.1
140.01180	97.5
141.01836	3.5
153.01964	3.5
155.03525	86.9
156.03860	2.4
161.02458	31.7
162.02881	0.9
165.99103	4.9
167.03561	3.2
168.00662	4.5
169.01346	1.1
175.02499	10.0
180.00597	1.2
181.01494	1.7
189.48997	1.4
192.00644	1.5
193.01416	1.6
197.00037	1.4
209.04633	1.2
215.03564	1.8
236.97899	5.0
237.48000	1.2
245.08191	0.9
299.01981	7.7
302.04361	10.3
314.04068	1.4
317.06693	100.0
318.06943	5.0
318.86572	1.0
331.06937	1.4
359.07626	1.1
395.00748	1.2
401.85776	1.1
411.84622	1.0
464.14435	1.3
493.09039	5.8
493.22736	1.8
494.09937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.6
59.01387	7.6
61.98847	6.4
71.01386	9.3
71.42593	1.0
72.99327	0.8
73.02950	1.6
74.99112	2.2
81.03468	1.7
83.01393	6.9
85.02962	7.7
87.00885	1.1
89.02460	2.6
95.01411	2.1
96.96019	2.5
99.00910	1.3
101.02466	2.5
108.02193	2.9
110.00161	1.2
111.00919	0.8
113.02457	7.7
117.03499	0.8
119.01380	0.7
119.05029	1.5
120.99667	100.0
122.00011	1.0
124.01713	0.9
125.02461	79.5
126.02807	2.1
129.46582	0.6
134.03764	1.8
136.99127	2.2
137.02536	0.9
139.00421	0.8
139.04005	0.9
140.01187	1.2
143.03378	0.6
145.02936	3.6
147.04547	0.8
148.80516	0.6
149.02458	5.7
150.03241	1.0
155.03532	2.4
157.01457	0.9
161.02495	1.2
163.07596	0.6
164.04802	1.8
165.05559	0.7
166.99852	1.4
167.03572	0.8
168.00270	0.9
175.00386	5.2
177.05566	0.5
178.01018	1.5
181.01508	1.0
181.03304	0.9
190.02710	9.9
191.03421	2.0
193.03308	2.2
193.04999	1.5
195.06680	0.8
197.61151	0.6
205.05084	10.5
211.04398	5.7
223.06116	1.8
265.07333	0.8
269.04614	2.7
287.05527	1.8
287.20090	0.7
288.05997	1.6
289.06345	1.7
299.02371	0.7
299.05878	1.8
302.03406	0.9
305.21240	1.4
307.22342	0.6
313.18185	1.4
317.06638	3.2
325.09201	0.8
367.10251	6.7
425.14880	0.8
431.09906	1.9
449.25568	5.1
493.13779	4.8
493.24426	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.0
67.01889	4.0
71.01384	15.5
72.99311	2.7
73.02939	4.7
73.45524	1.5
81.03445	6.3
81.09128	1.7
83.01401	2.2
85.02975	7.9
86.44183	1.4
87.00880	3.3
91.01895	3.3
94.00727	1.5
95.01386	5.9
96.99354	1.6
99.00864	2.0
101.02465	10.1
107.01384	17.9
107.05025	4.6
108.02182	16.0
109.01714	2.5
109.02943	5.4
110.02421	1.6
111.00873	4.0
113.02459	8.3
119.05026	9.3
121.02975	4.9
122.03751	59.3
123.00878	4.9
123.04562	19.6
125.02438	10.8
126.28239	1.5
134.03746	1.6
135.04506	5.9
137.06096	48.5
139.00366	2.7
140.83383	1.5
146.03700	1.8
146.72151	1.6
151.00368	17.5
152.01160	19.7
153.02000	12.4
155.71455	1.5
161.02385	2.0
161.04604	1.7
163.03989	5.0
166.02766	5.5
166.06371	16.4
167.03506	60.2
167.31212	1.6
181.01424	2.3
181.05069	19.5
181.08734	10.2
195.02794	1.8
201.05580	1.6
210.27606	1.5
254.95427	1.7
296.05563	7.5
297.06168	4.9
311.07755	100.0
312.08029	5.1
317.06702	6.4
331.15414	2.9
343.10419	2.8
413.01938	2.3
434.12000	3.2
449.14551	47.6
450.15097	2.8
461.10818	4.7
493.18143	14.4
494.17557	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.0
67.01889	4.0
71.01384	15.5
72.99311	2.7
73.02939	4.7
73.45524	1.5
81.03445	6.3
81.09128	1.7
83.01401	2.2
85.02975	7.9
86.44183	1.4
87.00880	3.3
91.01895	3.3
94.00727	1.5
95.01386	5.9
96.99354	1.6
99.00864	2.0
101.02465	10.1
107.01384	17.9
107.05025	4.6
108.02182	16.0
109.01714	2.5
109.02943	5.4
110.02421	1.6
111.00873	4.0
113.02459	8.3
119.05026	9.3
121.02975	4.9
122.03751	59.3
123.00878	4.9
123.04562	19.6
125.02438	10.8
126.28239	1.5
134.03746	1.6
135.04506	5.9
137.06096	48.5
139.00366	2.7
140.83383	1.5
146.03700	1.8
146.72151	1.6
151.00368	17.5
152.01160	19.7
153.02000	12.4
155.71455	1.5
161.02385	2.0
161.04604	1.7
163.03989	5.0
166.02766	5.5
166.06371	16.4
167.03506	60.2
167.31212	1.6
181.01424	2.3
181.05069	19.5
181.08734	10.2
195.02794	1.8
201.05580	1.6
210.27606	1.5
254.95427	1.7
296.05563	7.5
297.06168	4.9
311.07755	100.0
312.08029	5.1
317.06702	6.4
331.15414	2.9
343.10419	2.8
413.01938	2.3
434.12000	3.2
449.14551	47.6
450.15097	2.8
461.10818	4.7
493.18143	14.4
494.17557	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25420	0.6
55.01882	0.7
55.27102	0.6
59.01382	13.1
60.54665	0.6
61.98837	21.2
69.87275	1.8
71.01387	10.0
73.02954	3.1
78.01092	1.1
81.03455	0.9
83.01384	1.4
85.02952	2.2
89.00328	1.7
89.02476	5.1
90.59797	0.7
91.01916	1.6
95.01393	1.5
99.00881	0.9
99.77124	0.6
101.02452	4.8
106.00605	1.4
109.03004	0.9
111.00903	1.3
113.02458	3.0
113.13801	0.6
115.91779	0.6
119.03520	0.9
121.02967	38.2
122.03285	0.9
123.00909	4.9
124.01760	0.7
125.02484	0.9
125.99654	0.6
127.00397	1.5
133.05081	1.6
136.98825	1.1
137.02451	7.0
138.03221	9.5
139.00406	1.5
139.04033	3.9
151.06145	6.5
153.02075	0.8
153.05585	33.2
154.02776	0.7
155.03481	1.2
165.01978	1.1
166.99861	1.8
181.01462	9.6
182.02197	9.3
183.03020	3.3
196.03763	9.0
197.04568	100.0
198.04910	3.5
211.06119	9.3
224.03305	8.0
225.04027	2.0
239.05620	51.3
240.05951	2.2
245.12157	0.6
269.06735	6.7
279.79495	0.7
281.06720	1.1
281.75516	0.7
285.06064	0.7
295.10452	1.0
299.07779	17.7
307.44919	0.6
341.08762	4.1
343.65906	0.7
359.09738	2.3
361.08163	0.7
493.15656	79.1
494.15991	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	493.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31164	2.2
56.19709	2.2
59.01380	18.8
61.98847	12.4
65.00324	2.2
71.01383	13.4
73.02941	3.9
82.95430	3.0
84.95110	2.4
85.02956	5.4
89.02459	9.7
91.01897	8.1
101.02476	11.7
102.98609	4.1
108.02168	8.4
113.02466	3.1
119.05023	20.9
120.99665	2.7
123.04522	29.8
125.02346	2.8
150.03296	2.3
151.00363	6.5
152.01181	12.0
154.27675	2.4
163.04037	27.5
163.06110	3.4
166.02727	10.0
167.03506	100.0
168.03818	3.5
173.73576	2.6
181.05084	7.7
181.07104	4.9
194.02232	9.9
209.04564	56.1
239.05618	4.7
269.06723	16.7
283.04907	3.3
311.07730	3.2
325.11304	7.2
329.08844	2.6
341.99023	2.6
457.13577	10.8
465.23788	2.4
493.08716	4.3
493.15714	84.0
494.15857	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	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.7
57.03458	4.8
57.37326	0.7
59.01387	100.0
61.98842	0.8
68.99831	1.2
69.03472	2.7
69.14211	4.4
71.01390	72.5
72.01702	1.0
72.99312	2.1
73.02953	36.7
73.92677	0.6
75.00886	1.9
77.45061	0.6
81.03483	2.8
83.01395	16.5
84.02190	0.8
85.02959	35.8
86.00088	0.7
87.00885	6.3
89.02460	11.2
89.02965	1.2
91.30759	0.9
93.03510	1.5
95.01399	9.2
97.02959	4.9
98.21889	1.3
99.00898	12.1
101.02454	58.2
102.02766	0.9
109.02951	1.2
111.00916	2.7
112.01681	1.7
113.02463	38.5
117.03504	2.5
119.03543	2.4
120.02504	0.7
121.03130	0.8
125.02461	9.6
125.03329	0.9
127.04029	1.2
127.11298	1.1
129.01964	1.2
131.03474	1.0
143.03522	10.1
155.03506	1.6
159.03055	5.2
161.04588	29.7
203.03671	1.0
203.05716	1.4
221.06699	1.2
223.13557	0.9
227.05757	1.5
230.08250	1.0
245.06871	1.4
279.57718	0.9
289.16595	29.6
290.17093	1.0
303.82767	0.7
331.17725	5.6
355.17776	3.1
433.20776	15.4
433.26031	1.2
434.21469	1.2
451.21887	77.8
452.22214	6.4
484.80139	0.8
485.87643	0.7
493.16507	0.8
493.22864	9.0
493.28769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.4
57.03451	4.1
59.01387	100.0
59.30107	0.7
60.50168	0.8
67.01929	0.7
69.03465	1.0
69.50578	4.1
69.50945	0.7
71.01390	78.6
72.01753	1.1
72.93031	0.7
72.99325	0.9
73.02953	27.1
75.00885	1.3
81.03438	1.1
83.01397	15.5
83.07455	0.7
84.02184	0.8
85.02958	38.7
87.00887	3.6
89.02457	15.0
89.02953	1.2
95.01408	7.2
97.02984	3.7
98.21914	1.0
99.00893	10.3
101.02454	61.5
102.02804	1.5
111.00880	1.9
113.02464	37.5
119.03499	3.9
125.02453	4.7
127.11242	0.8
129.01978	1.8
131.03499	1.2
143.03511	5.3
159.03004	6.2
161.04582	27.5
221.06572	1.6
271.15570	1.0
273.51328	0.8
289.16599	18.5
290.17029	0.9
331.17566	4.6
430.12341	1.1
433.20941	1.2
451.21890	51.0
452.22107	4.3
489.91199	0.8
493.15863	1.7
493.22980	26.4
494.23175	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2449
Annotation	Glabcensin M
Peak:m/z	Relative Intensity
57.28582	1.2
59.01384	80.1
61.48743	1.3
61.98852	2.0
64.42403	1.0
71.75001	1.5
72.99294	2.6
73.02980	1.6
85.02957	1.7
86.26556	1.7
87.04524	82.6
101.02492	1.4
101.06092	17.0
104.43125	1.2
105.16136	1.5
113.06086	9.7
115.07668	13.9
145.08624	1.2
209.11841	3.1
433.22324	100.0
434.22684	9.8
472.53909	1.5
493.24435	81.3
494.24579	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	493.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03458	0.5
59.01386	36.6
59.66356	0.5
61.98821	0.9
67.25262	0.5
69.03466	2.8
69.87023	0.5
71.01373	0.5
71.05032	5.9
71.42735	0.5
79.69449	0.5
81.03465	33.3
82.03754	0.8
83.05061	1.1
84.02178	6.8
84.95122	0.8
85.02967	0.5
87.00878	3.4
87.04523	100.0
88.04848	1.2
94.14458	0.5
94.98105	1.3
95.05046	0.7
97.02957	1.7
97.06596	0.6
99.04530	45.1
100.04875	0.9
102.17426	0.5
109.02990	0.5
109.06635	1.0
119.05038	1.0
121.06597	0.7
123.04529	1.2
128.04811	1.7
133.03001	0.8
135.04512	0.9
135.08199	0.7
139.07617	0.6
187.11398	0.8
197.09964	0.6
209.11804	0.5
213.09174	0.6
229.08717	0.7
258.58920	0.5
276.71039	0.5
329.17459	1.2
330.17899	1.1
331.18246	3.4
345.17221	2.5
353.06821	0.7
363.18192	1.0
396.08606	1.9
407.20795	18.2
408.21103	1.8
433.22858	0.6
449.21762	9.0
454.45758	0.5
463.23358	2.3
464.23758	0.6
493.15329	2.1
493.24417	14.1
494.25052	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	493.2453
Annotation	Tricalysioside B
Peak:m/z	Relative Intensity
56.75452	0.2
59.01382	1.8
61.98816	0.4
63.01437	0.2
65.00320	0.6
65.05323	0.2
69.22055	1.3
70.30333	0.2
81.03477	0.4
87.04511	1.2
91.01933	0.2
95.01397	0.3
96.95991	0.3
98.21840	0.4
99.04526	0.6
117.03450	1.7
119.05027	0.4
133.02919	0.5
135.00943	0.5
135.04494	0.4
136.98790	0.3
159.04552	0.4
163.00394	1.3
164.98347	0.3
183.04523	0.6
187.03986	0.4
199.04030	0.3
202.10065	0.4
203.10793	0.8
211.04050	0.3
215.10838	0.4
227.03577	0.5
229.08759	0.3
245.15488	0.4
255.03036	2.7
256.03802	0.5
257.11768	0.3
257.19299	0.3
272.14200	3.5
273.18582	0.5
283.02505	9.5
283.17014	0.3
284.03238	4.2
285.04016	2.1
285.15024	0.5
286.15784	0.4
294.81476	0.2
299.16641	0.6
301.18115	22.9
302.18484	1.3
312.17706	0.2
313.18127	10.6
314.18604	0.5
315.16043	0.4
316.34161	0.2
325.18594	0.3
329.17715	2.2
330.18381	1.1
331.19171	100.0
332.19489	6.5
396.08673	0.5
408.94376	0.2
450.29474	0.3
493.24515	39.4
494.24777	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	494.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50519	2.0
53.23394	1.9
55.02333	2.1
57.00512	1.9
59.01379	9.0
61.98835	100.0
65.00348	2.3
69.82063	8.0
70.27249	2.0
71.01373	6.8
72.99314	2.9
82.47755	2.0
85.02953	18.6
87.00854	4.2
92.91389	2.2
95.01399	5.9
98.21859	2.6
99.00911	5.8
103.00401	3.7
107.01418	3.5
112.98846	2.7
113.02462	41.6
115.00378	2.3
151.00357	3.7
171.04482	3.8
175.02492	20.1
184.07907	2.7
211.07654	3.0
213.05563	7.8
235.50285	2.5
254.10454	2.7
255.06650	86.5
256.07150	4.7
325.92700	2.4
330.75381	2.2
367.18604	2.4
390.06226	4.7
431.09891	9.2
494.12302	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	494.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41012	0.8
59.01389	6.1
61.98839	100.0
63.68646	0.7
67.97428	0.7
71.01402	1.7
73.02972	1.2
75.69782	0.9
81.92702	0.8
85.02971	1.6
88.98823	0.8
89.25241	0.9
94.88504	0.9
98.21838	3.2
101.02468	1.3
113.02458	1.5
116.92884	1.4
117.03490	2.4
119.62088	0.8
123.04545	3.5
135.04558	1.4
145.47157	0.7
149.02406	1.4
151.00383	1.3
153.05579	2.5
187.07724	0.8
194.36870	0.9
269.04578	32.5
270.04932	1.5
295.10693	1.1
318.06842	1.2
341.08862	3.1
354.66449	1.0
369.09494	1.8
393.17374	0.9
431.09894	33.3
431.15695	1.9
432.10400	2.0
451.33139	4.6
453.19907	1.3
511.27524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.125
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	2.2
68.99802	1.4
69.10293	1.5
69.10699	0.7
89.92770	0.3
92.99823	0.6
94.02966	1.1
101.03974	0.4
108.04594	2.0
117.03516	0.4
127.05547	0.3
131.03725	0.4
132.04532	1.4
132.93143	0.3
138.94623	0.3
139.05577	0.4
141.07095	0.9
143.04898	0.3
145.06664	0.3
156.04538	0.5
160.04039	0.4
162.70300	0.3
165.07053	1.3
169.06580	1.8
171.03229	0.5
171.04535	4.8
180.08211	1.5
194.06100	0.6
196.07675	7.8
197.07909	0.6
199.02647	0.5
204.08127	0.5
207.06900	0.7
208.07681	20.6
209.07968	0.8
210.09224	1.1
212.03506	0.4
213.05649	0.6
220.07640	0.7
222.09235	0.4
230.09792	0.9
232.07669	8.6
233.08302	0.9
234.09236	6.1
235.09573	0.4
236.07181	10.2
237.07619	0.5
244.07628	0.7
246.09377	0.6
248.07195	0.5
249.07706	0.4
250.08754	0.5
253.05032	0.6
256.07715	1.0
257.08438	0.7
258.09268	4.9
259.09650	0.6
260.07120	1.3
273.08020	0.8
274.08768	1.7
278.08240	8.3
279.08575	0.4
284.07104	0.6
286.08731	1.1
297.08856	0.4
302.08270	4.1
314.08191	1.1
322.12582	0.3
340.13251	0.7
341.08017	0.7
346.07196	5.9
347.07336	0.5
360.14041	0.4
364.13571	1.1
371.52762	0.3
380.12885	0.7
388.13306	0.7
406.14478	0.5
408.12424	4.0
422.13965	0.4
450.13495	100.0
451.07919	0.6
451.13837	8.5
472.77054	0.3
494.12518	35.9
495.12793	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	494.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61399	44.2
52.19966	49.4
55.11584	52.3
70.35749	100.0
70.36093	48.6
70.83842	43.9
118.28505	36.7
121.02965	79.4
135.04535	67.6
145.22520	52.8
152.99657	69.9
158.07001	49.1
356.84055	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.219
Annotation	6-O-Acetylscutehenanine A
Peak:m/z	Relative Intensity
51.32444	0.2
53.55963	0.2
57.03455	1.0
58.03938	0.3
59.01385	15.4
60.86170	0.2
68.99811	0.3
71.43572	0.3
78.03497	2.1
82.10214	0.2
83.01440	0.5
85.02946	0.3
87.04510	0.4
91.39292	0.2
101.02464	0.2
107.54755	0.3
108.02186	4.5
109.02960	0.9
122.02497	100.0
123.02853	1.7
130.53964	0.3
135.04573	0.4
136.04056	0.5
146.02521	0.4
151.74883	0.2
161.06075	0.5
202.05141	1.4
211.11247	0.4
225.12848	0.6
227.14363	1.3
238.10033	1.0
239.10797	5.3
241.12457	0.3
253.12444	1.2
269.15567	0.7
311.16556	15.4
312.16891	1.1
424.16290	0.3
434.19833	1.2
452.59619	0.3
494.21927	21.9
495.22253	2.1
508.87115	0.3
512.18518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43471	0.4
61.98836	100.0
64.47350	0.4
64.77959	0.4
69.30848	2.5
78.00536	0.4
80.83158	0.4
110.00119	0.7
118.39709	0.3
121.03001	1.8
135.04538	1.0
165.99165	0.5
269.97260	0.4
277.15530	0.4
397.09076	0.4
398.10278	0.5
503.67514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.5
57.03447	5.0
58.83522	3.5
59.01115	6.5
59.01384	55.6
61.15640	3.8
61.98827	18.2
71.01031	5.5
71.01393	73.5
73.02958	25.1
80.60484	3.6
83.01394	13.3
83.60460	3.6
85.02961	33.1
89.02434	15.2
94.96716	3.6
95.01418	6.8
99.00865	8.5
101.02455	54.8
107.81693	3.3
113.02467	35.6
117.03474	4.6
119.03531	5.4
119.05048	10.2
125.02435	4.1
133.02992	6.3
135.04555	24.8
140.07962	4.0
143.03479	4.3
143.87560	3.4
159.02963	5.7
159.04472	3.4
161.04604	36.3
172.05351	4.7
187.07681	42.0
191.07190	4.2
201.05605	8.1
202.06401	25.1
228.47818	3.8
231.10287	33.5
279.08719	15.7
284.03149	7.5
289.16672	26.3
307.08026	3.7
398.09842	4.5
402.24637	4.0
451.21924	100.0
452.22238	4.8
477.15540	11.4
495.16776	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30614	3.8
57.41002	4.2
59.01363	7.6
61.98838	100.0
67.32327	3.7
70.33954	4.2
71.41143	4.6
71.59232	4.0
71.93907	3.6
81.32663	3.8
92.03005	4.5
94.30138	4.8
97.17749	4.1
168.96817	4.2
191.44559	3.9
227.84163	3.9
285.77432	4.5
296.74515	4.3
327.11377	4.8
518.42236	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	494.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99329	0.6
61.98837	100.0
69.41180	1.4
69.41573	1.9
88.15268	0.6
101.00004	0.8
101.76632	0.6
136.36981	0.7
241.43726	0.7
249.05048	0.7
413.76303	0.6
456.17804	0.8
479.25543	0.9
498.77286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22548	2.0
61.98510	4.8
61.98837	100.0
69.27563	12.1
76.50758	2.4
78.95901	5.0
94.08463	2.4
98.21889	5.2
104.77457	2.3
132.40561	2.4
152.99626	12.6
160.90007	2.2
237.47307	2.2
292.75311	2.7
315.34958	2.3
344.84036	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	494.335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39399	1.0
69.47779	2.9
81.03465	3.4
83.05035	9.5
88.57497	0.7
90.27235	0.8
96.96022	3.7
104.69128	0.9
144.14949	0.7
207.15129	1.9
224.17697	1.9
225.16063	7.1
333.22998	2.2
367.27045	1.0
433.31818	4.0
442.41089	0.9
451.32947	100.0
451.80698	0.8
452.33188	10.3
494.33481	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69698	38.9
59.01382	100.0
71.40677	58.3
73.57999	44.5
77.18768	37.9
102.06103	36.6
113.02454	53.4
148.10730	37.6
248.47862	41.1
251.33629	38.1
283.06226	57.1
323.79169	45.6
360.50485	40.2
369.87341	45.2
433.19666	45.5
495.12595	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50459	1.1
59.01370	2.0
65.00319	3.7
69.79700	2.3
69.80082	2.2
80.13880	1.2
81.97490	1.4
83.01357	3.0
83.19218	1.2
85.02940	2.3
95.01414	2.1
96.99319	1.9
99.00935	1.4
111.00893	74.0
113.02464	5.9
134.03772	2.4
135.04535	12.3
136.98795	3.0
139.00394	100.0
140.00717	2.8
161.02466	3.3
164.98329	9.8
173.02437	2.0
183.09700	1.2
187.03922	1.2
201.01927	4.9
211.04184	1.6
215.03481	5.1
239.03421	1.7
257.04495	2.4
273.04114	1.6
283.02444	1.4
301.03571	74.3
302.03882	4.3
477.06659	2.6
509.14243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45874	0.3
57.60871	0.3
58.64711	0.3
59.01393	1.9
61.98837	100.0
69.30568	1.2
71.01405	1.7
73.02962	0.6
75.00877	0.7
81.03335	1.0
85.02965	1.7
89.02465	0.7
99.00948	0.4
101.02444	0.5
113.02444	2.1
115.00387	0.4
117.37383	0.4
133.45082	0.3
169.00371	0.3
175.02534	0.9
184.54076	0.3
205.02858	5.2
212.98730	0.5
252.02937	9.0
278.07715	0.3
319.13980	1.0
409.31488	0.3
413.09473	0.3
415.08224	0.4
459.14661	0.6
495.05994	0.6
495.16684	4.7
496.16907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48609	1.2
68.99816	1.6
69.10334	5.6
69.10749	2.2
69.31310	1.2
89.00337	1.2
115.01897	1.8
117.03469	1.3
119.01390	3.2
120.99294	2.3
131.01352	1.7
132.02238	1.4
137.02432	2.1
143.01422	2.4
145.02934	2.6
159.00882	5.6
160.01595	1.2
161.02472	1.4
163.00385	16.1
171.04512	5.6
173.02466	2.5
175.00339	1.4
176.01158	2.6
187.00377	13.4
188.98322	2.3
189.01906	8.4
190.99843	8.9
200.01068	1.8
207.08170	1.7
214.99826	9.1
216.97888	2.4
217.01358	7.7
219.08101	2.2
223.07590	1.8
235.07611	1.9
247.07625	3.1
249.05655	1.8
251.07115	1.8
258.98819	1.4
263.07233	5.4
265.05145	2.2
267.03772	1.7
267.06628	33.4
268.06860	2.4
275.07153	3.3
277.04916	2.4
280.06104	2.7
290.05914	1.3
291.06644	36.2
292.06674	1.6
293.04648	1.7
295.06137	83.2
296.06433	4.3
319.06140	98.3
320.06473	4.3
321.03989	2.2
323.05591	4.4
325.18439	1.8
347.05579	1.3
363.05136	14.7
391.04626	100.0
392.04922	8.4
423.12430	12.4
424.12335	1.3
444.77933	1.4
451.11603	5.6
453.10211	1.6
467.11435	2.2
495.10870	54.7
496.11325	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	495.1147
Annotation	tarocin A1
Peak:m/z	Relative Intensity
59.01379	3.0
59.50432	0.7
65.00352	1.1
70.35409	1.4
71.01387	4.6
73.02959	1.1
81.03472	1.1
82.28799	0.7
83.01401	1.1
85.02961	1.9
86.93561	0.6
89.02453	0.8
91.01916	1.0
95.01389	1.3
96.96021	11.8
97.02994	1.0
98.22030	1.0
99.00909	0.8
101.02438	1.8
104.84740	0.6
107.01408	3.0
108.02184	46.5
109.02964	88.9
110.03342	0.8
111.00876	1.3
113.02493	3.4
121.02959	4.7
123.00925	4.3
123.04552	2.7
123.75214	0.6
124.01636	2.3
125.02462	1.3
127.00350	1.8
135.00877	1.8
135.04553	2.1
136.04916	0.7
136.98813	1.2
137.02448	7.8
138.03267	4.4
139.00371	2.1
139.04063	3.2
149.02472	2.1
151.03975	1.1
152.01166	45.8
153.01952	100.0
153.05542	2.9
154.02290	2.6
154.99883	8.8
156.00682	5.5
161.02489	0.9
164.98225	1.1
166.02722	0.8
166.99861	1.9
167.03500	13.6
168.00612	2.3
168.04297	2.0
173.06116	0.6
181.01408	1.8
181.04898	0.8
182.02135	3.0
182.05814	2.9
183.03014	12.8
183.06589	4.4
197.04550	5.5
269.04468	1.9
279.97006	0.8
297.05853	1.2
311.04483	1.0
311.07718	10.6
315.07104	2.7
326.06259	1.0
327.07178	8.4
328.07379	0.7
332.03772	3.8
332.58725	0.7
341.08969	4.4
451.12476	4.3
451.71725	0.8
463.08606	3.1
467.33905	0.7
495.11252	60.0
496.11511	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66084	0.4
59.01383	0.5
61.98840	2.2
62.07626	0.4
65.00331	2.3
69.19954	1.9
70.03189	0.4
88.70786	0.4
110.00116	3.0
111.89851	0.4
117.03471	2.0
119.05081	0.5
122.02543	0.8
135.00894	1.4
136.98825	2.6
137.99585	0.5
155.05075	0.8
159.04544	0.5
161.02446	0.6
163.00397	10.6
163.01663	0.9
164.01126	1.8
164.98375	0.8
165.99092	1.9
173.40944	0.5
183.04544	1.1
185.02496	0.6
187.03955	1.4
195.04547	0.8
199.04088	0.5
200.04796	2.1
211.04002	1.1
212.04776	2.0
214.02708	1.6
227.03477	2.3
228.04240	1.2
239.03412	0.7
240.04228	0.8
255.03006	4.5
256.03696	1.4
283.02509	19.1
284.03290	100.0
285.03717	6.8
315.12347	0.8
350.25928	0.4
477.15671	0.6
495.16660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25790	3.7
57.40144	2.9
69.75258	10.5
69.75588	3.4
71.50866	3.1
93.37181	3.7
110.00137	4.3
119.08625	3.5
122.02516	26.2
136.04071	34.9
148.02673	3.6
150.05614	13.5
163.00346	6.2
163.07681	9.2
182.02133	4.2
204.03369	4.7
227.03400	4.0
228.04436	3.5
234.46138	3.3
255.13811	3.7
263.33447	3.2
273.15009	14.6
283.02423	17.3
284.00208	5.0
284.03302	100.0
285.03720	5.1
344.26508	3.6
379.18735	3.3
400.00537	3.7
402.74817	4.0
495.15906	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	495.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66842	4.9
65.00308	5.1
68.70128	4.0
70.50227	8.8
70.50558	5.7
110.00093	5.1
116.63715	4.9
119.08687	9.0
122.02502	46.6
136.04059	75.4
150.05609	20.6
163.00369	9.9
163.07658	17.7
178.05145	12.9
249.25546	5.0
255.13809	5.6
273.14951	40.9
283.02463	18.4
284.03296	100.0
285.03763	5.5
324.87280	4.5
355.84033	5.7
452.20688	10.5
468.43335	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33867	1.2
55.01876	6.8
57.03442	4.7
59.01383	100.0
60.36187	1.2
69.36201	6.4
71.01387	78.0
72.99320	3.3
73.02953	25.5
81.03485	1.2
82.95416	13.5
83.01392	18.7
85.02959	41.2
87.00876	4.0
89.02453	15.4
95.01408	6.4
96.95984	1.2
97.02947	1.7
99.00890	7.2
101.02449	65.3
111.00847	1.4
113.02456	35.7
119.03508	3.2
125.02442	5.8
130.63354	1.3
135.04466	1.1
139.03416	1.2
141.58849	1.2
143.03511	6.0
159.03001	6.2
161.04576	26.8
187.07640	1.6
194.41161	1.2
200.07904	1.6
221.06693	1.6
222.07330	3.8
243.59592	1.2
270.19250	1.4
291.18134	21.8
292.18600	1.7
333.19113	4.1
363.71420	1.2
435.22092	2.6
453.23428	70.2
454.23749	4.1
495.17569	1.7
495.24509	29.9
496.24213	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	495.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87110	1.4
52.16576	1.6
55.01873	6.0
57.03455	6.5
57.32848	1.6
59.01385	100.0
64.93620	1.5
65.00340	2.0
69.03472	4.7
69.38052	1.6
69.70339	3.2
69.70709	3.6
71.01389	85.3
73.02956	39.3
75.00837	1.6
82.95424	4.5
83.01401	22.8
85.02962	46.9
86.00105	1.6
87.00885	4.4
89.02446	13.6
90.61529	1.7
95.01393	11.3
96.96004	2.5
97.02965	8.8
98.22608	2.0
99.00884	12.8
101.02453	61.5
103.04017	3.7
106.09316	1.7
106.55209	1.7
107.05018	1.6
109.02954	3.7
110.00115	5.0
111.20230	1.8
113.02464	40.7
117.03498	2.1
119.03531	3.2
119.05018	5.5
120.99649	1.6
123.04475	1.9
125.02425	8.3
131.28778	1.7
132.65712	2.0
133.02916	3.0
134.03767	3.6
135.04552	15.2
139.00348	1.4
141.01906	1.5
143.03510	9.1
148.05325	3.9
151.07611	1.7
157.74396	1.4
159.03008	4.5
159.04488	2.3
161.02518	2.1
161.04584	37.5
163.04010	2.2
163.06181	2.0
165.05666	1.8
165.99042	3.7
172.05336	2.6
173.06125	2.5
174.06865	2.1
182.02177	1.9
187.04063	1.9
187.07677	17.4
200.07881	1.4
201.05562	5.2
202.06454	9.3
203.10847	9.2
206.61447	1.6
228.98016	1.5
231.10294	21.6
237.07697	3.8
247.08138	2.7
279.08734	11.1
289.16602	31.7
291.18143	17.1
307.02380	2.3
315.19528	2.2
333.20792	11.7
347.01917	1.7
375.01367	3.8
398.10138	6.8
435.22372	50.9
436.22742	4.6
453.23508	32.6
454.24045	1.9
477.15411	7.1
495.07446	3.2
495.16650	28.6
495.24728	6.2
496.17047	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	495.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29014	0.2
51.52311	0.2
57.03454	2.3
58.00598	0.6
59.01385	41.7
60.93012	0.2
69.03476	0.4
71.01389	33.0
72.01731	0.4
72.99328	0.9
73.02954	7.1
75.00863	0.5
78.95961	0.2
83.01395	4.2
83.05066	0.4
85.02960	13.6
86.00100	0.3
86.03323	0.3
87.00868	1.3
88.04498	0.2
89.02454	14.2
90.02793	0.3
91.87695	0.2
95.01392	2.5
97.02962	3.1
99.00884	2.3
101.02454	19.4
109.02999	0.8
110.03773	0.3
111.00904	0.6
111.04544	0.5
112.01677	0.4
113.02461	11.2
114.02839	0.3
119.03512	6.2
121.06623	1.3
124.01724	0.2
125.02428	0.5
129.01976	0.4
131.03543	0.6
143.03543	1.1
147.08223	0.4
149.04567	0.3
159.02995	0.9
161.04581	3.0
165.35269	0.2
179.05606	0.8
187.11377	0.4
189.12842	0.5
247.58032	0.3
269.19110	0.6
279.08694	0.3
315.19650	0.4
333.20731	18.9
334.20950	1.3
351.21762	1.6
473.44455	0.2
495.26038	100.0
496.26379	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	496.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74567	1.0
59.01375	2.9
61.47829	1.3
61.98816	1.4
67.42921	1.0
70.50372	2.5
71.01385	2.7
79.95743	100.0
81.95300	1.5
85.02923	1.8
95.35185	1.3
96.95995	2.7
101.02452	1.8
107.01393	1.9
108.02198	2.6
113.02476	1.2
121.02929	5.2
122.03313	2.3
123.04494	3.3
124.04921	1.3
125.02436	1.6
133.02892	1.5
136.98802	1.8
150.03246	21.2
151.00343	2.5
151.03572	10.2
152.01184	7.2
152.13647	1.3
153.01625	1.7
155.10820	1.8
161.02446	1.7
164.98315	2.7
165.05588	10.1
166.04901	2.6
166.06073	2.0
167.03505	12.4
168.03824	3.4
189.05794	1.3
189.48885	10.9
189.99208	1.9
197.00064	8.6
199.09692	1.7
201.01819	1.7
227.03459	4.5
236.97878	62.3
237.47955	3.6
237.97807	1.9
255.03040	2.5
271.02414	4.1
283.02432	4.5
299.01996	43.1
300.02365	4.1
311.07727	8.1
312.08063	9.4
313.03595	1.4
314.04330	34.8
315.04590	3.6
322.01132	49.6
335.01611	1.9
337.03833	9.8
393.99921	4.3
401.96857	9.8
416.99115	50.9
495.14850	1.4
496.15439	19.3
496.22119	2.0
496.94635	11.6
497.16074	2.5
501.13483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50599	0.3
53.97684	0.3
59.01384	0.3
61.98835	100.0
71.01387	0.5
71.03529	0.4
85.02994	0.4
108.11371	0.3
111.00900	0.9
113.02480	1.1
127.70195	0.3
135.04581	0.8
137.02486	0.4
139.00368	2.0
139.95920	0.3
140.00732	0.7
222.53885	0.4
301.03641	0.5
302.03983	0.8
320.08994	0.3
330.35535	0.4
448.71710	0.4
461.16824	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	496.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40188	0.4
59.01379	0.5
61.98836	100.0
69.48003	2.3
71.01398	0.5
75.57965	0.4
78.73232	0.5
82.42188	0.5
119.04997	0.5
122.03751	0.5
123.04552	1.1
137.02502	0.5
149.02501	1.4
150.03261	3.8
151.04054	2.9
164.04764	0.7
164.65132	0.5
165.05511	2.3
172.26289	0.5
181.05133	1.3
232.75909	0.5
244.66452	0.5
283.09949	0.9
361.11264	4.4
384.43195	0.5
486.17899	0.6
496.16629	1.4
496.24142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17042	0.4
58.93508	0.4
59.01379	2.4
61.98836	1.2
63.27000	0.5
69.52883	1.1
69.53290	1.6
71.01414	0.8
84.04563	9.3
85.02957	1.4
87.04532	0.8
90.20981	0.5
91.96310	0.5
93.03445	0.6
110.00100	0.5
114.05621	29.9
115.04030	1.8
115.05996	0.5
117.03474	40.9
117.72937	0.5
118.03819	1.0
119.05060	1.4
128.10852	2.8
135.04468	0.5
138.09236	1.5
148.05345	0.6
151.04083	0.6
156.10310	4.8
157.85110	0.5
165.99202	0.5
175.03995	3.6
182.08269	2.3
186.01913	0.6
195.04471	0.5
200.09302	38.1
201.09567	1.0
203.10880	0.9
207.04504	0.6
211.04134	0.5
219.04483	0.7
231.10258	1.1
232.10616	1.2
235.04083	2.1
236.04924	0.7
237.05554	3.0
251.07205	1.1
279.10287	0.9
280.08960	0.7
295.06140	100.0
296.06479	5.9
313.26019	0.5
335.09158	1.5
367.11853	2.0
398.09433	0.8
399.10345	1.0
496.16226	36.0
497.16348	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	496.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50800	3.1
54.72577	3.1
61.98836	6.5
62.79842	3.4
69.18796	22.5
78.95899	47.5
95.87159	3.8
96.96971	9.8
119.87431	3.3
152.99602	100.0
171.00597	5.4
433.23599	21.8
476.57819	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	496.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19809	0.4
56.30618	0.5
57.03453	1.0
59.01385	0.6
60.97532	1.0
70.02993	1.1
70.53080	0.8
70.53408	0.6
71.05038	0.8
72.97541	14.3
79.05565	0.6
82.02986	1.3
83.05039	0.7
86.02499	0.7
86.99099	0.4
98.02482	3.4
98.06133	0.6
108.04581	0.6
110.00092	1.2
111.08161	0.9
113.00677	0.8
113.04327	5.1
116.87139	0.4
117.03493	0.5
119.05000	0.9
126.05640	3.4
127.02269	2.5
137.99625	0.5
142.04597	2.0
144.06241	0.7
158.02878	0.8
164.98122	0.5
165.12874	8.5
165.99136	0.7
167.14407	2.0
170.04610	22.2
171.05020	0.8
176.36214	0.5
209.11894	0.7
211.13382	3.1
217.15956	0.6
221.11818	0.6
222.12704	0.8
223.13382	6.1
225.14989	0.8
227.16566	0.6
229.14453	0.9
247.20706	1.9
255.17432	0.5
256.11411	19.9
257.11853	1.2
273.18692	1.9
278.06369	0.5
284.03323	2.5
285.03818	3.8
286.04712	1.9
291.19690	34.4
292.19962	1.6
307.17349	1.6
325.18454	100.0
326.18777	5.3
496.23831	15.6
497.24509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58772	1.5
50.76830	1.6
52.34506	1.6
54.97448	1.9
59.01369	8.6
59.34414	1.8
61.98818	1.9
68.54687	1.9
69.31711	10.2
71.01360	2.3
71.05009	5.9
73.02955	5.4
83.01385	3.1
84.22048	2.1
96.04572	10.5
98.06118	5.0
101.02445	4.2
110.00092	3.0
119.05016	6.5
122.02518	3.1
123.04626	1.7
126.05627	76.6
135.04506	2.5
165.12845	3.9
165.99048	2.0
168.20023	2.2
170.04550	6.4
185.25397	1.9
192.80630	1.8
204.03360	100.0
275.20145	5.1
284.03101	11.6
285.03741	14.2
286.04657	4.6
291.19614	12.9
496.23718	2.0
497.27829	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	496.9471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
69.81516	1.6
71.01358	0.8
72.99286	0.6
79.30449	0.7
79.95741	24.6
81.95307	1.9
85.02946	0.8
96.96001	1.8
98.22594	1.5
101.02439	0.7
103.66558	0.6
113.02449	1.4
123.04480	0.8
133.02962	0.9
134.03717	0.9
164.98343	2.0
165.99153	0.9
171.04445	0.7
183.04561	1.0
185.02422	0.8
189.48825	4.9
189.98930	1.2
197.00009	2.7
197.50223	1.3
199.03935	1.4
211.04070	0.9
213.98849	1.3
227.03557	3.6
236.97906	12.7
237.48044	8.4
237.97691	3.5
243.03107	0.7
253.01292	1.1
255.02992	1.8
255.06668	0.8
271.02518	1.9
279.02878	0.7
294.01498	2.7
298.01239	3.1
299.01993	29.5
300.02267	4.1
313.03568	2.3
314.04337	23.0
315.04770	4.1
319.99457	2.7
322.00970	84.7
323.01346	4.6
325.03171	1.2
335.01746	2.6
337.03326	2.7
352.08325	1.0
353.02911	1.3
401.96661	19.0
402.97156	1.6
416.99008	100.0
417.99399	6.6
476.46960	0.7
496.94711	23.9
497.95273	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.7
60.16219	1.8
65.00357	2.8
67.14299	1.7
69.17070	3.9
69.17474	8.7
71.01387	5.5
73.32652	1.7
74.05209	2.0
78.95913	6.5
79.95756	3.4
83.01393	2.1
85.02973	3.5
89.02428	2.6
96.96004	8.2
96.96994	2.8
97.02950	3.0
98.22706	3.9
99.04491	2.0
101.02456	3.4
101.13937	2.0
109.02981	12.7
113.02433	2.8
115.03999	1.9
116.92873	20.8
117.03493	2.2
118.22906	2.1
119.05108	10.7
123.04590	1.9
124.02769	2.0
124.17793	2.0
133.02977	47.0
135.04538	10.4
139.04071	2.0
143.06142	1.9
147.04529	2.0
151.04027	9.0
161.02428	4.6
163.00475	2.2
165.02025	2.9
173.06129	2.2
175.04050	4.0
177.01895	3.0
201.02110	4.4
207.06686	12.8
215.00220	18.6
231.06630	8.5
249.07741	20.8
255.03172	2.4
275.05765	9.7
275.08905	1.8
284.03018	2.2
288.10568	1.9
292.03146	2.2
297.07507	2.6
309.07709	5.6
311.05554	3.5
342.68802	2.0
353.06635	4.0
367.08170	4.7
385.09290	27.2
385.71906	2.0
397.09421	4.8
411.10590	2.8
429.11948	100.0
430.12195	6.8
461.14551	25.4
462.15094	3.3
497.18213	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	497.1307
Annotation	Verproside
Peak:m/z	Relative Intensity
58.53141	0.5
59.01383	2.9
71.01394	1.5
71.40550	0.7
73.02958	1.3
75.00856	0.7
83.05038	1.3
85.02957	1.6
91.86703	0.5
93.03469	9.7
96.96023	2.0
99.00903	0.9
107.05046	1.2
109.02962	0.5
111.04540	3.0
113.02464	1.1
115.08636	0.5
117.03504	1.1
119.05055	1.0
121.03040	0.6
133.02974	6.4
134.03728	3.1
135.04541	100.0
136.04872	2.7
137.02451	5.2
155.03526	1.6
161.02463	23.4
162.02815	0.6
173.04524	1.9
179.03517	90.2
180.03828	2.5
215.00183	4.3
335.07758	70.9
336.08130	4.1
341.08957	3.7
377.08606	0.8
453.16220	0.7
497.05771	1.3
497.12982	26.9
498.13498	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
58.61843	0.7
59.01385	15.4
61.98827	5.0
70.50867	1.5
71.01025	1.3
71.01389	19.8
72.99323	1.2
74.79891	0.8
78.95914	1.1
85.02958	18.5
85.03473	0.9
89.02452	6.5
95.01382	8.4
101.02440	3.6
113.02461	47.0
114.02765	0.8
119.03516	1.5
123.04563	2.1
135.04539	28.6
143.03453	0.9
145.06230	1.2
152.01224	1.1
153.05591	1.7
154.92906	1.1
154.99608	1.3
161.04558	3.3
167.03584	1.1
181.03828	0.7
207.05048	1.1
250.34550	0.8
315.10889	3.3
322.01443	0.8
371.49957	0.7
416.98422	1.5
437.07907	0.9
461.16687	100.0
462.17072	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	497.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31411	2.1
54.38678	2.5
57.03454	2.3
59.01382	19.0
61.98841	15.1
63.32088	2.5
67.57688	2.2
68.78502	2.1
71.01402	16.3
73.02944	8.1
75.00884	6.3
78.95889	3.0
85.02956	10.3
87.00883	8.5
87.05588	2.7
89.02469	2.7
93.03446	2.6
95.01416	2.8
96.96024	8.7
99.00895	5.2
101.02453	9.5
101.97816	3.7
113.02489	13.6
113.54386	2.4
116.92891	2.9
120.99680	14.4
121.02988	5.0
122.03727	7.8
123.04551	16.6
133.02966	9.4
135.04565	8.8
146.03735	9.6
147.04517	4.4
149.02467	40.0
149.04440	2.7
150.03241	98.2
151.04021	71.5
160.01706	3.3
161.02541	4.5
161.04611	5.3
164.04793	19.4
164.98367	3.0
165.05585	75.0
166.00977	5.1
167.01721	2.8
171.07800	3.0
175.04041	5.3
179.05765	3.6
179.07126	17.4
180.04256	4.8
181.03511	2.4
181.05084	37.4
195.06607	19.5
201.11305	4.2
211.04387	15.9
213.05891	4.0
215.00266	9.1
229.01324	3.2
282.09100	2.8
283.09769	13.4
299.01816	3.0
300.06805	6.3
305.16168	4.4
312.10120	7.3
313.10831	4.7
327.12469	6.4
347.09705	8.1
361.11163	100.0
362.11581	9.1
395.11615	5.0
409.13330	9.0
415.08176	11.3
437.20398	9.0
449.12665	5.9
453.16147	18.6
454.23099	10.4
459.14990	4.5
479.13495	3.2
497.15036	86.8
497.22061	5.3
498.15448	7.5
508.50479	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	497.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31411	2.1
54.38678	2.5
57.03454	2.3
59.01382	19.0
61.98841	15.1
63.32088	2.5
67.57688	2.2
68.78502	2.1
71.01402	16.3
73.02944	8.1
75.00884	6.3
78.95889	3.0
85.02956	10.3
87.00883	8.5
87.05588	2.7
89.02469	2.7
93.03446	2.6
95.01416	2.8
96.96024	8.7
99.00895	5.2
101.02453	9.5
101.97816	3.7
113.02489	13.6
113.54386	2.4
116.92891	2.9
120.99680	14.4
121.02988	5.0
122.03727	7.8
123.04551	16.6
133.02966	9.4
135.04565	8.8
146.03735	9.6
147.04517	4.4
149.02467	40.0
149.04440	2.7
150.03241	98.2
151.04021	71.5
160.01706	3.3
161.02541	4.5
161.04611	5.3
164.04793	19.4
164.98367	3.0
165.05585	75.0
166.00977	5.1
167.01721	2.8
171.07800	3.0
175.04041	5.3
179.05765	3.6
179.07126	17.4
180.04256	4.8
181.03511	2.4
181.05084	37.4
195.06607	19.5
201.11305	4.2
211.04387	15.9
213.05891	4.0
215.00266	9.1
229.01324	3.2
282.09100	2.8
283.09769	13.4
299.01816	3.0
300.06805	6.3
305.16168	4.4
312.10120	7.3
313.10831	4.7
327.12469	6.4
347.09705	8.1
361.11163	100.0
362.11581	9.1
395.11615	5.0
409.13330	9.0
415.08176	11.3
437.20398	9.0
449.12665	5.9
453.16147	18.6
454.23099	10.4
459.14990	4.5
479.13495	3.2
497.15036	86.8
497.22061	5.3
498.15448	7.5
508.50479	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	497.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.6
59.01386	66.9
61.18417	3.1
61.98835	62.4
64.83743	2.3
69.03466	5.1
70.17475	5.4
70.17849	5.7
71.01389	69.1
71.05035	4.0
73.02943	19.8
75.00887	6.0
76.98975	2.4
79.95775	5.1
81.03486	3.0
83.01411	11.5
85.02952	20.6
87.00902	5.4
89.02453	31.7
93.03474	4.0
95.01417	3.5
96.96045	6.3
99.00890	10.2
101.02450	35.2
111.00929	4.7
113.02474	24.3
116.92947	3.4
117.03506	4.1
119.05016	2.7
119.37098	3.2
121.03029	2.4
123.04543	3.7
125.02467	10.8
131.03497	8.5
135.04546	24.9
143.03557	4.0
143.10760	3.0
149.04593	8.2
159.02986	3.3
161.02477	3.8
161.04599	11.0
163.67822	2.6
167.03450	6.4
167.07152	8.0
171.44020	2.5
174.09169	3.0
191.05632	2.6
207.02528	2.8
207.06447	3.6
215.00218	32.7
254.02614	4.9
263.83496	2.7
271.04263	4.0
293.03766	6.6
293.08948	4.6
305.16052	17.0
333.09521	5.3
351.10782	5.1
419.04337	3.9
437.20319	100.0
438.20599	5.6
497.03955	16.0
497.15836	12.5
514.85083	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74961	1.5
55.50764	1.8
59.01385	100.0
61.98838	4.7
71.01390	57.0
73.02959	10.8
78.95897	3.1
79.95767	2.8
83.01417	1.7
83.05039	3.4
85.02954	9.9
87.00892	2.9
88.91837	1.9
89.02454	94.9
96.96007	8.2
98.21886	4.1
98.79084	1.6
101.02456	45.7
113.02487	10.8
116.92880	6.1
117.03462	2.0
119.03522	5.7
119.05023	4.3
120.01295	2.5
125.02515	2.5
127.60179	1.5
128.23570	1.8
131.03522	32.3
147.80226	1.7
149.04579	81.5
150.04892	2.0
152.99512	1.9
161.02432	2.1
167.03568	2.1
189.05447	1.7
191.05646	16.5
215.00290	4.0
216.66641	1.6
223.30702	1.9
225.04431	2.0
243.17065	3.0
284.03394	1.9
305.20709	1.7
311.09839	3.1
318.08395	2.0
329.15771	1.7
462.16428	2.1
480.17163	2.9
497.33417	12.5
502.93591	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	497.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74961	1.5
55.50764	1.8
59.01385	100.0
61.98838	4.7
71.01390	57.0
73.02959	10.8
78.95897	3.1
79.95767	2.8
83.01417	1.7
83.05039	3.4
85.02954	9.9
87.00892	2.9
88.91837	1.9
89.02454	94.9
96.96007	8.2
98.21886	4.1
98.79084	1.6
101.02456	45.7
113.02487	10.8
116.92880	6.1
117.03462	2.0
119.03522	5.7
119.05023	4.3
120.01295	2.5
125.02515	2.5
127.60179	1.5
128.23570	1.8
131.03522	32.3
147.80226	1.7
149.04579	81.5
150.04892	2.0
152.99512	1.9
161.02432	2.1
167.03568	2.1
189.05447	1.7
191.05646	16.5
215.00290	4.0
216.66641	1.6
223.30702	1.9
225.04431	2.0
243.17065	3.0
284.03394	1.9
305.20709	1.7
311.09839	3.1
318.08395	2.0
329.15771	1.7
462.16428	2.1
480.17163	2.9
497.33417	12.5
502.93591	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	497.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06342	4.5
52.29100	4.8
52.54472	4.6
57.53191	5.0
59.01387	86.4
61.98829	9.4
65.00345	8.7
65.00739	5.1
69.27284	4.6
69.67229	5.7
70.55297	8.7
71.01390	33.2
73.02956	93.6
73.53413	4.3
83.01412	15.4
84.74820	5.4
89.02427	8.4
95.01411	6.4
101.02457	51.6
103.71585	5.0
107.01424	6.3
110.00108	15.9
113.02484	6.1
117.03488	21.3
119.05061	66.7
120.05361	4.9
122.02503	100.0
125.02474	6.0
135.04547	82.4
143.05035	6.0
151.00380	21.8
161.02502	8.6
161.04521	7.8
164.98308	8.5
165.99113	10.0
166.99840	7.2
177.01939	8.3
177.09190	5.9
201.05501	6.4
210.00655	4.8
219.03000	6.3
240.34473	5.0
257.15567	6.5
275.20148	38.6
284.03165	6.8
285.03891	21.3
286.05023	26.2
293.21384	9.7
299.16611	8.8
328.46860	6.0
345.16956	8.8
371.14996	16.1
373.93652	5.8
400.11673	11.3
479.17337	10.9
496.69150	10.3
497.18347	74.0
497.26498	39.1
498.18790	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	497.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
57.03422	1.0
59.01387	73.1
61.98833	1.9
63.26159	0.9
63.71897	0.9
65.00332	1.8
69.03463	2.0
69.65205	1.5
69.65575	1.3
70.80238	0.8
71.01389	28.5
72.80828	0.9
72.99315	1.7
73.02956	31.3
78.95946	0.8
83.01405	9.1
85.02965	9.7
87.00888	4.1
87.96539	0.9
89.02444	9.6
95.01384	2.2
98.22575	2.0
99.00880	1.0
101.02458	23.0
104.29306	0.9
110.00116	4.5
113.02457	12.1
117.03489	4.3
119.03492	2.4
119.05038	10.2
122.02500	44.7
124.01675	1.1
125.02413	1.6
133.02956	1.3
135.04575	2.2
136.98802	2.5
137.82988	0.9
139.00330	2.3
139.42697	1.0
143.03497	1.7
152.01135	1.1
158.45518	1.0
158.93958	1.1
161.04587	1.7
164.98351	3.5
165.99091	3.1
166.99809	2.2
180.00664	1.5
214.11127	1.1
275.20197	13.9
284.03104	2.1
285.03995	9.8
286.04846	11.2
293.21222	9.5
382.10098	1.6
400.11389	2.1
437.25504	16.3
455.26508	32.5
456.26797	1.8
479.17072	1.9
496.69330	2.2
497.19394	4.1
497.27612	100.0
498.28061	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	497.2762
Annotation	Simplexin I
Peak:m/z	Relative Intensity
54.98074	1.3
55.01860	2.5
57.03444	2.8
57.20129	1.4
59.01387	83.7
69.03451	1.5
69.50072	3.0
69.50468	3.3
71.01390	41.5
72.99306	2.3
73.02957	25.9
83.01395	6.7
83.53062	1.3
85.02962	18.7
85.79847	1.3
87.00885	4.7
89.02452	13.1
95.01391	3.2
99.00874	3.0
101.02448	23.8
110.00097	3.6
113.01814	2.0
113.02478	17.7
117.03492	2.7
119.03534	3.6
119.05038	6.4
122.02488	22.0
124.01664	2.2
135.04530	3.7
143.03535	2.9
165.02010	2.0
165.99062	3.6
179.14471	1.6
190.10193	1.7
205.15976	1.7
223.13513	1.8
228.91794	1.5
275.20184	16.2
284.03305	1.5
285.03970	6.4
286.04758	6.3
291.19537	2.4
293.18768	1.2
293.21255	33.5
400.11542	2.4
437.25476	46.3
437.81604	1.8
438.25748	1.6
447.16934	1.8
455.26550	71.6
456.26974	5.4
479.17258	1.9
497.18802	5.9
497.27640	100.0
498.28119	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	497.2758
Annotation	Simplexin I
Peak:m/z	Relative Intensity
52.26509	0.4
55.01869	0.8
57.03436	1.2
58.00583	0.4
59.01385	53.4
69.03463	1.2
69.79200	1.5
71.01388	19.1
73.02952	34.8
75.00938	0.4
79.25052	0.4
83.01388	7.0
85.02959	4.9
87.00903	2.1
89.02451	6.8
94.48763	0.4
95.01408	1.5
97.02928	0.6
99.00890	0.7
101.02452	19.7
110.00117	1.4
111.08172	0.7
113.02454	6.6
113.09746	0.6
119.03497	1.7
119.05011	1.1
125.02468	1.1
135.04544	0.5
139.00371	0.5
143.03522	0.9
161.04570	1.5
165.98978	1.1
179.14455	1.2
180.00539	0.5
186.50630	0.4
195.13884	0.7
196.69603	0.5
205.15916	1.1
223.13408	1.3
223.73233	0.4
231.21130	0.7
273.07892	0.5
275.20166	7.8
277.21744	1.4
285.03934	1.9
286.04910	3.1
293.21249	32.0
294.21576	1.4
327.20096	0.6
383.06754	0.5
437.25464	6.4
438.25800	0.7
455.26498	16.5
456.26791	0.8
497.27606	100.0
498.28030	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	497.2758
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
52.54704	0.6
55.01881	7.7
57.03459	6.5
57.82568	0.6
59.01384	57.1
60.11205	0.5
64.27050	0.7
69.03464	1.4
69.17412	3.4
71.01387	100.0
71.94250	0.5
72.01732	1.1
72.99336	1.0
73.02953	29.1
75.00881	1.5
83.01391	12.3
85.02959	46.6
86.55027	0.6
87.00890	3.4
89.02454	25.3
95.01398	8.5
97.02954	2.2
99.00895	10.6
101.02453	58.1
102.02788	1.2
111.00867	0.7
113.02462	43.3
114.02805	1.1
119.03519	13.3
125.02440	2.2
129.01958	2.0
131.03497	1.5
134.49754	0.6
141.57539	0.6
143.03500	5.0
149.04539	1.0
152.70050	0.6
159.02982	8.3
161.04578	38.0
162.04898	0.9
179.05669	2.9
221.31767	0.7
289.21765	1.1
291.23361	10.8
318.46255	0.8
335.22287	22.8
336.22620	2.6
453.28693	3.5
497.27612	33.5
498.27878	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	497.276
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
55.01883	3.8
57.03434	2.7
57.83273	0.6
58.00590	0.6
59.01382	28.9
61.98821	1.3
64.94062	0.6
69.03449	0.6
71.01387	30.8
72.99306	0.9
73.02951	13.6
75.00872	1.4
75.26587	0.6
75.93724	0.6
77.07709	0.6
83.01388	7.1
84.95119	2.7
85.02956	17.1
86.00105	1.2
87.00859	1.0
89.02437	1.8
90.96183	0.7
95.01385	4.4
97.02946	1.1
99.00321	0.6
99.00871	3.5
101.01804	1.4
101.02448	26.0
102.02749	0.7
113.02461	12.0
119.05022	6.3
129.01939	0.8
139.64807	0.6
143.03448	0.9
159.02930	3.3
161.04547	7.0
199.54282	0.7
248.15903	0.6
256.97235	1.0
259.37585	0.7
317.21292	0.9
377.03067	1.0
497.27609	100.0
498.27917	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	497.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.8
57.03434	2.7
57.83273	0.6
58.00590	0.6
59.01382	28.9
61.98821	1.3
64.94062	0.6
69.03449	0.6
71.01387	30.8
72.99306	0.9
73.02951	13.6
75.00872	1.4
75.26587	0.6
75.93724	0.6
77.07709	0.6
83.01388	7.1
84.95119	2.7
85.02956	17.1
86.00105	1.2
87.00859	1.0
89.02437	1.8
90.96183	0.7
95.01385	4.4
97.02946	1.1
99.00321	0.6
99.00871	3.5
101.01804	1.4
101.02448	26.0
102.02749	0.7
113.02461	12.0
119.05022	6.3
129.01939	0.8
139.64807	0.6
143.03448	0.9
159.02930	3.3
161.04547	7.0
199.54282	0.7
248.15903	0.6
256.97235	1.0
259.37585	0.7
317.21292	0.9
377.03067	1.0
497.27609	100.0
498.27917	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	497.3642
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
53.11043	2.2
56.95914	2.4
57.71834	2.4
59.61979	2.5
66.47194	2.3
70.27486	6.3
143.98346	3.0
149.61543	3.0
157.69135	2.7
181.51736	2.4
497.36383	100.0
498.36746	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	498.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01135	8.0
63.62120	1.4
64.01922	7.3
65.00333	4.2
65.99851	91.4
68.99809	2.6
70.21951	2.9
82.20033	1.5
88.01953	2.8
89.00328	3.2
89.99845	7.6
95.00130	1.8
96.08951	1.4
107.00140	4.5
108.00912	4.9
119.00140	72.5
120.00923	15.2
131.05067	6.2
132.00952	3.2
133.01712	4.0
134.99643	6.3
136.00403	6.0
146.93781	1.7
146.99641	42.4
148.00403	7.9
159.13043	1.6
161.01231	4.6
162.99170	3.0
163.99982	3.5
166.06596	4.5
169.06648	1.8
170.06169	2.2
171.04593	11.2
174.99123	56.3
175.99898	48.0
187.99883	2.5
188.36833	1.7
189.00641	4.2
190.01494	2.9
190.06642	6.2
190.98653	4.6
194.06134	5.8
196.04024	2.2
202.01472	11.4
202.98582	11.0
206.06152	3.0
207.01785	10.1
207.06938	3.3
208.04117	1.9
208.07640	2.3
210.05618	5.6
214.01437	1.8
217.33792	1.9
218.06088	6.7
222.05600	11.4
223.06396	6.3
233.04555	1.4
234.00424	5.3
234.05602	8.3
235.01253	13.8
235.06360	4.8
238.05080	5.5
246.05653	8.9
249.99762	2.7
250.05144	14.0
251.05946	10.9
252.06577	4.2
262.05084	13.1
263.00677	18.4
263.05762	3.9
264.06677	4.2
265.03818	1.6
266.04565	2.9
267.05365	1.9
268.06183	9.0
274.05063	1.8
278.04642	16.0
279.05377	53.2
280.06168	100.0
281.06442	4.9
288.99976	1.5
290.04623	20.2
291.05368	6.0
294.07846	2.4
295.04800	14.5
296.05243	2.4
303.05368	1.7
304.06091	4.2
306.04074	11.5
306.07120	2.0
307.04846	21.3
308.05475	2.8
316.06018	2.1
318.04099	12.7
318.07443	2.5
334.03577	9.1
335.04431	2.6
336.08865	4.5
338.06754	10.7
350.06659	8.2
350.11148	2.4
352.09802	7.0
362.03046	9.8
366.11432	8.1
367.06970	74.2
368.07449	5.1
394.10867	51.2
395.11594	18.4
398.10193	3.0
410.10144	3.8
412.11899	3.9
422.10382	29.4
423.11188	2.8
424.11847	2.6
426.13901	2.3
438.09833	13.9
439.10464	9.0
454.13004	60.4
455.13358	5.2
466.09354	31.9
467.09714	3.0
498.12167	10.4
499.10818	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	498.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27765	11.4
65.00330	13.5
65.99862	31.0
70.27299	12.8
70.96748	20.8
94.20782	12.2
175.99899	28.7
202.01408	12.3
242.08264	31.9
255.06599	36.0
270.07684	70.2
280.06128	31.5
296.05582	22.5
412.11856	81.7
422.13641	18.7
454.12933	100.0
455.12997	12.7
498.11804	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65190	1.0
65.00330	2.4
65.99855	3.6
86.20835	1.0
88.08317	1.3
90.87563	1.1
96.00890	1.9
110.02486	3.9
122.02533	1.4
123.03289	4.2
124.00381	1.6
127.05571	1.2
134.02507	3.8
135.03261	6.2
136.00409	5.2
138.02029	2.5
145.02888	1.2
151.00575	1.2
151.02805	5.5
155.02324	1.4
171.04510	4.7
173.06075	1.4
175.99950	2.3
192.02963	3.4
200.07262	1.6
201.05620	4.3
226.08766	1.4
227.03508	1.4
228.06606	1.7
242.05759	2.5
242.08237	42.2
243.08514	3.7
252.06677	1.9
255.03072	2.2
255.06609	2.7
259.58838	1.3
268.06146	4.1
270.07721	100.0
271.08069	3.9
280.06180	4.7
295.06039	1.4
296.05679	14.1
332.05725	3.0
349.95432	1.4
350.06793	3.1
353.31442	1.3
358.27713	1.2
368.90610	1.1
408.12146	1.9
412.11960	6.8
436.11990	7.3
454.12955	12.9
470.13098	1.6
480.10925	15.3
481.11206	2.0
498.12354	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	498.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25716	0.6
59.01363	1.2
59.40220	0.7
59.98470	0.6
61.98857	0.7
65.00330	5.2
66.85693	0.6
68.99822	1.3
69.36613	3.5
71.01378	1.2
78.95907	4.3
79.95756	1.0
82.00589	0.7
82.02996	4.1
84.04541	0.8
87.00904	0.9
93.03443	2.8
94.02991	2.2
95.01405	1.1
96.96030	13.5
96.96972	6.9
96.99318	0.9
105.03516	0.6
108.13361	0.7
109.02981	1.4
110.00093	8.0
111.00893	3.3
113.02457	0.9
118.02992	6.1
123.04424	0.8
123.92578	0.7
124.01675	2.0
127.05079	0.9
135.04543	0.9
136.01686	0.9
136.04054	16.5
136.98820	8.8
137.02480	1.1
137.99559	2.1
138.01950	0.9
139.00333	1.8
145.06248	2.1
149.02460	1.0
150.03246	2.1
151.03972	2.4
152.01196	2.0
157.06631	0.9
161.02444	1.1
162.01987	5.7
164.98297	6.5
165.05554	1.4
165.99092	4.3
166.99916	1.0
169.06616	1.8
171.04546	7.6
173.06078	4.4
180.03038	9.9
181.05048	0.9
185.06084	0.7
197.06032	0.9
199.04057	0.9
199.07298	2.5
204.03098	1.0
213.05643	0.9
219.08078	0.7
221.09937	0.8
223.07626	4.1
225.05579	2.3
227.07242	0.8
235.07793	0.9
237.09200	2.3
241.05070	25.6
242.05452	1.8
242.07990	0.8
243.06656	11.8
244.06953	0.7
263.07239	1.3
264.10370	1.3
265.08722	8.9
266.08286	3.1
269.04565	64.1
270.05209	9.7
270.07803	2.6
271.06137	13.1
272.06400	0.9
280.09857	1.3
284.09369	1.4
290.08218	5.7
290.78000	0.9
291.06625	2.1
300.02844	0.8
301.03488	5.9
306.07675	1.5
306.11246	0.7
308.09293	7.2
323.01852	3.2
326.10010	2.3
334.07193	7.4
352.08270	100.0
353.08374	6.0
362.11691	1.4
454.15942	1.1
460.15189	0.7
463.08334	0.7
466.49725	0.7
498.15009	6.5
499.04956	2.6
499.11325	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	498.1566
Annotation	Halofantrine
Peak:m/z	Relative Intensity
65.00334	5.2
65.99848	1.4
68.99826	3.8
70.90329	1.2
80.57563	0.9
83.01405	2.2
91.05588	0.9
92.99814	1.0
98.19382	0.8
107.00163	1.2
109.01717	1.2
115.04014	1.2
117.57041	0.9
120.00896	1.0
121.01660	1.2
132.87624	0.9
148.04021	2.4
156.08194	5.4
161.35950	0.9
165.00681	4.9
166.06683	1.7
169.06595	2.0
171.04544	9.7
173.06104	1.1
180.08217	4.0
182.06113	1.2
184.07721	2.7
190.01389	2.2
198.09259	1.2
200.07124	1.0
206.06146	1.5
206.09760	3.3
207.06911	2.2
208.07719	2.6
210.05516	1.1
216.03064	1.6
216.08022	0.9
218.06100	1.4
222.09219	1.6
223.06319	1.3
224.07147	7.4
225.05627	1.3
226.08771	7.4
231.06946	1.8
238.08794	4.1
242.08284	1.0
246.05734	1.3
248.07126	1.4
250.08751	6.3
251.05699	1.0
252.06673	11.5
253.05089	1.6
254.07913	0.9
258.05469	1.0
259.06509	1.2
262.08771	3.2
266.08188	6.4
268.06219	3.0
269.04327	1.2
269.06982	3.0
270.07755	2.6
274.05151	1.8
275.05942	1.3
278.05017	1.2
287.06061	1.1
290.08237	2.5
292.06265	2.0
294.07706	7.0
302.04572	2.9
307.08508	2.3
308.09338	0.9
318.07736	3.8
330.04025	2.7
334.07410	1.7
356.09076	4.1
362.06625	2.2
362.11658	2.3
375.52472	0.8
380.12701	4.2
382.10757	1.5
390.11398	1.4
394.09479	1.9
398.13980	48.6
399.14404	3.2
406.10931	1.7
422.14050	8.6
434.10352	1.7
438.08282	1.6
438.13647	2.1
440.15329	2.4
456.14508	1.2
466.12997	51.3
467.13293	3.9
483.13431	2.7
498.15665	100.0
499.16318	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	498.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77738	0.5
59.01375	0.6
61.98814	0.5
64.72823	0.5
70.02962	0.8
71.06515	0.7
72.00398	0.8
72.97535	1.6
74.96421	0.6
82.02975	0.7
82.18752	0.5
83.05023	0.7
86.99110	8.2
96.04573	0.8
98.02498	2.8
103.64329	0.5
108.04594	0.7
110.94095	3.3
112.93828	1.1
115.05894	8.1
121.36961	0.6
126.05664	2.5
127.11328	0.7
144.06163	15.3
145.06604	0.6
158.07736	0.7
165.12895	1.0
167.14445	4.9
169.53625	0.5
170.04607	21.3
177.18114	0.5
204.92334	0.9
211.11656	0.7
211.13434	5.0
215.11093	1.2
222.87048	0.8
223.13364	0.7
226.81102	0.5
229.14484	2.1
249.22189	0.9
258.12991	5.0
265.21826	0.9
275.20206	1.1
283.21069	0.6
284.14551	1.1
293.21252	17.6
294.21582	1.0
309.18939	1.8
327.20013	100.0
328.20270	6.5
357.83231	0.5
379.04694	0.5
403.13431	0.6
486.13333	0.6
498.25381	13.0
499.12061	0.5
499.25940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61222	0.8
57.00642	0.8
59.01366	2.5
61.98808	3.3
69.25427	1.5
69.25833	3.8
71.01366	1.7
71.05010	1.5
82.02955	1.1
83.05021	1.2
93.03448	1.1
98.02457	3.8
115.04000	0.8
117.03465	2.7
119.05058	8.3
120.05338	1.4
121.02872	0.9
122.02439	1.0
123.04498	1.2
126.05624	5.6
135.04501	3.9
159.56978	0.9
165.05486	0.9
170.04616	23.8
187.07549	1.4
193.05092	1.1
231.10248	2.1
265.21719	1.5
275.20242	6.3
286.04544	1.1
293.21249	27.9
294.21512	1.2
309.18857	2.7
327.20007	100.0
328.20300	6.4
337.46210	0.9
414.15540	1.0
414.22992	1.2
439.19513	1.1
497.70239	1.5
498.18997	1.7
498.25174	39.0
499.19083	1.4
499.25708	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	498.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45644	1.0
58.02986	1.8
62.40318	1.0
69.16698	2.6
69.17101	4.5
72.00897	1.6
73.04074	17.9
73.86640	1.1
74.02480	44.8
82.06638	1.9
87.05642	5.6
98.21788	1.6
110.94150	2.4
112.02797	4.0
118.05120	4.5
119.11053	1.0
121.43884	1.0
126.09264	3.4
130.08760	3.9
134.74545	1.0
139.08783	1.5
141.10342	4.1
143.10852	1.6
143.11919	25.7
152.07167	6.0
153.10316	1.5
165.10373	1.7
169.09877	6.2
169.13501	4.7
183.30688	1.0
187.10916	5.8
200.12222	2.2
200.14058	42.7
226.15692	3.2
226.21785	39.3
226.24065	1.6
227.22211	1.1
266.21255	1.7
283.23920	17.6
297.25400	1.2
317.23331	1.3
361.58994	1.2
379.29617	2.3
397.30936	4.7
410.33862	3.4
454.32886	100.0
455.33307	6.6
498.35547	37.9
499.36008	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	499.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
69.47843	1.2
71.01395	2.3
73.02966	0.5
81.82214	0.3
83.01403	0.6
85.02946	0.9
87.00925	0.4
89.02478	1.1
93.03471	0.8
96.96027	1.2
98.06126	0.3
98.95605	0.8
99.00892	0.4
99.92601	8.2
100.92664	0.5
100.93375	0.8
101.02449	1.6
105.98330	0.3
113.02464	1.3
114.93430	0.3
115.92109	0.7
116.92879	100.0
117.03468	3.1
117.92900	3.7
119.03500	0.4
119.05042	0.5
121.06599	0.4
135.04556	0.9
161.02475	0.9
161.04576	0.9
167.25800	0.3
173.06027	0.3
181.36641	0.3
205.05086	0.6
206.08365	0.4
214.81871	0.3
234.97127	0.3
247.06178	0.3
284.03278	0.7
285.03955	1.3
307.17459	0.4
309.07614	0.5
323.09650	0.4
337.11380	0.6
353.10349	0.4
353.98361	0.7
369.09802	5.6
379.99969	0.5
393.00656	1.0
394.01495	0.4
395.02332	0.4
419.02359	2.1
423.01840	0.4
437.03452	4.3
438.03574	0.4
439.21686	1.3
451.01276	1.3
452.01913	0.6
455.04276	0.5
469.02435	4.1
470.02945	0.6
481.02353	1.3
481.28207	0.5
499.03394	9.7
499.28986	1.4
500.03592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	75.3
62.42783	24.0
67.84669	26.8
69.05786	100.0
69.06216	79.1
71.01386	52.9
82.02880	26.1
83.26856	23.2
85.02982	45.2
96.96014	96.8
98.22622	56.9
99.00901	23.9
101.02467	60.4
113.02448	39.7
119.05001	46.5
136.98851	29.1
139.00375	36.3
139.58958	23.8
164.98329	79.8
213.53416	25.1
213.55336	29.7
285.04031	44.3
499.29196	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.5
59.01377	2.4
61.98834	100.0
63.75271	0.5
65.00328	1.8
71.01385	1.9
71.41626	0.7
72.99322	1.0
79.95753	0.7
83.01404	0.9
84.11218	0.4
84.55570	0.5
85.02985	1.6
89.02448	1.2
96.00842	0.5
96.96028	1.9
99.00888	1.3
101.02457	1.6
110.00141	0.7
111.00893	5.4
111.01592	0.7
113.02497	1.3
115.92027	0.5
116.92882	2.4
117.03474	0.6
121.02963	3.1
123.00935	0.7
123.04529	0.6
125.02458	0.8
127.00353	2.6
135.04590	1.8
135.34538	0.5
136.98851	1.4
137.02463	1.4
138.03258	0.7
139.00383	7.1
153.01964	0.6
153.05582	2.7
154.99701	1.0
161.02446	3.8
164.98297	3.3
165.44812	0.6
165.99077	0.9
166.99872	0.7
167.03558	1.6
171.04584	0.8
173.02460	0.7
175.02568	0.8
182.02184	0.8
183.04539	0.7
187.04044	1.1
195.04425	0.6
197.04559	7.8
201.01949	0.7
209.04546	2.8
211.04039	2.2
213.02019	1.7
214.02681	1.0
215.03502	1.4
239.03542	2.8
239.05669	1.2
255.02942	1.2
256.03873	1.1
257.04633	2.2
260.36591	0.5
265.01532	0.6
279.02682	1.2
283.02582	1.8
291.04706	1.2
301.03571	1.8
305.00595	0.6
306.82684	0.6
323.01791	5.4
325.01627	3.2
337.01767	1.0
337.07922	0.7
364.00601	1.1
365.01163	1.1
370.09317	0.7
436.64139	0.7
455.06253	1.6
461.16745	0.7
463.14645	13.0
464.15060	0.8
499.04672	2.6
500.06100	0.6
504.06210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1042
Annotation	Malibatol B
Peak:m/z	Relative Intensity
51.59179	3.6
52.51522	3.3
61.03219	2.7
62.00543	3.1
62.16533	2.9
68.66720	2.9
78.95919	4.8
82.67387	2.7
93.02912	3.4
133.02910	3.2
149.02332	3.6
151.00386	3.7
161.02452	4.7
161.99527	5.2
163.00381	13.8
174.55800	3.1
176.01204	5.0
189.99078	28.3
190.99858	7.5
196.03828	5.6
202.94894	3.1
202.99908	6.2
217.98523	4.7
233.00928	10.2
239.07027	4.8
253.04913	4.3
257.04599	5.3
265.04999	7.0
266.05786	6.4
267.06500	17.9
288.99985	15.0
294.05347	11.4
295.06155	34.8
321.04074	9.6
322.04684	6.0
337.07220	9.3
352.50729	3.2
365.06808	7.0
377.03006	4.3
393.06183	56.3
393.10809	5.5
394.06549	4.4
425.10327	5.8
481.09589	20.3
499.10413	100.0
500.10638	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	499.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18386	0.9
55.37993	0.9
59.01377	8.5
61.54873	0.8
61.59748	0.7
70.40912	1.7
71.01393	7.2
71.15170	0.8
73.02941	1.2
77.52575	0.9
80.73875	1.0
83.01431	1.2
85.02966	2.2
87.09644	0.8
89.02461	3.0
91.01903	4.8
95.01387	1.6
96.95990	1.1
101.02463	4.3
108.02187	6.0
109.02953	1.0
111.00900	2.0
113.02441	4.7
119.03542	1.3
123.04536	22.8
123.05378	1.4
135.04601	1.3
139.00427	1.2
145.76653	0.9
150.03288	1.4
151.00397	3.4
151.06116	2.9
152.01178	5.4
153.01939	1.5
153.05582	1.2
164.98296	0.9
166.02737	6.2
167.03506	65.2
168.03816	2.4
181.05045	4.9
194.02243	4.3
209.04572	32.2
209.06561	2.0
210.04953	1.2
239.05704	3.3
268.17294	0.9
269.06656	9.6
294.72128	0.9
301.03583	1.7
311.07761	2.5
323.01645	2.5
461.16672	2.8
463.14612	100.0
464.14734	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	499.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.7
57.03451	6.2
59.01383	100.0
61.98839	6.1
68.89284	1.5
68.99831	1.7
69.28730	8.9
71.01386	86.5
73.02953	38.6
75.00911	2.1
79.95755	2.0
83.01391	18.8
85.02954	42.1
87.00884	9.9
87.55245	1.8
89.02448	20.2
95.01414	6.9
95.43362	1.3
96.09470	1.7
96.96035	3.1
97.02963	9.3
99.00906	12.4
101.02457	63.0
109.02971	2.6
111.00890	3.4
113.02468	45.1
113.03265	2.2
115.04049	2.8
115.05576	3.1
119.03533	4.3
121.02995	2.6
123.04543	2.2
125.02419	9.0
131.03491	5.4
131.05029	3.4
133.06618	5.7
135.04623	1.7
137.02461	2.0
139.04051	2.3
143.03548	14.9
149.02484	2.9
149.04616	2.7
159.02994	7.2
161.02557	2.4
161.04579	56.9
163.00424	2.9
164.04805	2.0
165.01959	6.1
167.03491	3.7
173.06000	2.0
175.00406	6.5
190.02744	13.5
191.03380	1.6
194.99437	1.9
197.39339	1.6
202.58420	1.7
203.05615	4.2
205.05090	18.4
209.04590	2.1
221.06664	1.9
223.06116	5.2
239.45604	1.6
245.06728	3.1
253.05046	1.8
260.38593	1.6
283.02591	2.7
307.17657	5.7
327.05084	1.9
337.12991	2.1
355.24011	1.8
370.09244	1.9
439.16068	5.3
439.21866	22.4
457.17188	62.3
458.17273	3.3
499.11221	2.7
499.17844	26.3
500.10391	1.6
500.18719	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.8
58.00606	1.6
59.01388	100.0
61.98825	3.8
69.03458	3.2
69.62240	2.5
69.62634	2.5
71.01389	47.0
72.99320	1.7
73.02954	8.3
82.95414	2.0
83.01396	4.5
84.95110	1.1
85.02958	15.8
87.00879	3.0
89.02457	37.0
89.03020	1.8
93.03474	2.0
95.01406	3.3
96.48996	1.1
96.96017	3.6
97.02925	2.7
98.22554	1.2
98.95618	1.7
99.00887	3.7
99.92610	2.1
101.02449	27.9
102.35785	1.0
103.07767	1.1
109.02956	1.6
111.00882	1.6
113.02470	19.4
115.63425	0.9
116.92867	38.5
117.03475	7.5
117.85857	1.2
117.92899	1.6
119.03524	19.1
119.04971	2.8
123.04531	2.4
125.02476	2.3
130.08913	1.2
131.03522	2.0
135.04543	6.3
136.98842	1.1
137.02348	1.5
143.03510	5.8
149.04565	1.5
149.06071	1.7
151.03984	1.5
156.04085	1.1
159.02974	1.6
159.04419	1.9
161.02498	2.4
161.04581	11.9
177.05606	1.3
179.05656	6.5
191.67833	1.1
203.03468	1.4
209.11807	9.7
217.00235	1.0
225.72630	1.0
231.10292	1.3
251.09065	1.2
253.09279	1.7
283.02383	1.3
284.03366	2.4
285.03955	2.8
307.22330	1.2
322.98825	1.1
337.23846	5.4
355.24927	3.2
369.09756	2.2
410.97745	1.2
417.11859	2.3
437.03375	1.4
439.22314	2.4
455.15652	1.2
481.28210	4.8
499.03134	5.2
499.19336	5.1
499.29211	52.8
500.29517	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	499.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80455	4.4
58.95535	4.4
59.01384	18.4
61.98842	5.7
62.99533	5.0
69.03442	5.9
69.27737	27.8
77.39689	5.2
79.95821	5.3
83.05033	19.1
85.02972	6.5
85.62229	5.1
87.04523	39.8
88.57242	5.1
96.96030	19.1
97.02956	67.2
101.06086	37.2
110.94119	24.0
112.93864	8.7
113.06067	25.7
115.04031	100.0
115.04790	9.6
115.07648	42.0
119.36201	4.8
121.02953	6.4
132.93576	4.7
135.04546	12.9
143.07150	18.2
171.06793	6.0
193.12343	15.0
201.98940	5.1
203.14386	5.0
204.92267	6.5
249.15047	24.9
273.15112	8.5
305.99881	5.7
365.19797	16.0
499.20624	16.7
499.26907	13.4
518.59351	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	499.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34702	4.4
59.01385	52.1
60.28848	3.8
61.98827	5.9
69.03462	4.2
69.34663	4.9
69.62773	7.6
69.63142	9.3
71.01387	17.8
73.02957	26.6
73.98327	17.9
83.01392	5.4
83.05046	10.5
85.02956	6.9
87.04530	57.5
97.02960	59.7
101.02457	14.3
101.06094	31.5
113.02496	8.5
113.05370	4.1
113.06097	24.3
115.04018	100.0
115.07677	35.1
119.05054	10.4
121.06603	4.5
122.02516	8.8
122.18105	4.1
123.04535	13.8
126.05603	18.4
127.05948	8.3
135.04539	20.7
143.07158	21.1
151.03986	9.4
153.05492	4.2
163.03937	4.9
163.07697	5.7
165.05554	9.3
167.07224	4.1
187.03984	6.7
187.07668	21.3
193.05077	10.1
193.12297	15.9
201.09270	5.4
202.06337	8.6
206.03014	19.3
207.03398	5.2
215.07025	5.8
231.10284	21.8
237.07680	6.4
245.08223	6.9
249.14944	25.9
278.57919	4.2
291.04053	4.4
295.22824	31.1
365.19528	20.7
417.17535	4.6
433.95212	4.7
439.27103	4.6
457.28110	12.2
467.17523	4.7
481.18597	5.6
499.20837	16.7
499.28879	62.5
500.29913	6.5
520.91614	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	499.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05328	3.4
59.01387	50.9
61.98835	7.7
69.03461	8.1
69.31608	25.4
71.01389	17.0
73.02955	27.5
73.98324	9.0
77.30514	3.9
83.01389	5.1
83.05044	10.5
85.02985	5.4
87.04524	53.8
97.02957	50.2
98.22609	10.0
101.02480	14.8
101.06100	30.7
106.03763	3.8
113.02445	6.5
113.06100	16.3
115.04029	100.0
115.07674	31.4
117.03424	5.4
119.05059	11.5
122.02525	8.7
123.04539	16.5
126.05644	14.1
127.07675	4.1
129.48526	4.0
134.03764	6.1
135.04529	14.1
143.07172	15.0
151.04044	7.1
163.07600	3.8
187.07585	7.4
193.05008	8.1
193.10722	5.0
193.12386	12.5
201.05507	5.1
202.06454	7.1
206.03004	6.6
207.03181	4.5
223.11519	3.9
231.10320	18.8
237.07588	6.9
249.15016	17.1
273.15079	4.9
277.21454	7.5
295.22763	25.9
365.19733	12.9
439.14545	4.4
457.28143	13.5
470.60333	4.8
499.20929	14.9
499.28967	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01384	56.7
69.10115	10.2
71.01026	3.1
71.01390	45.8
73.02962	15.0
74.57260	1.8
77.86861	1.7
83.01389	7.0
85.02959	20.9
88.56988	1.6
88.58198	1.6
89.02452	30.0
93.71475	1.5
95.72279	2.0
99.00889	5.3
101.02450	39.5
106.18707	1.8
111.00903	6.4
113.02464	12.3
115.04031	2.1
119.03542	2.8
119.05053	2.5
124.76511	1.5
125.02490	4.9
131.03513	15.0
133.02931	1.6
143.03497	3.8
143.70415	1.6
149.04568	14.5
161.04521	7.9
167.03555	1.6
172.95512	1.7
191.05627	4.2
233.06628	3.9
241.04228	1.6
293.08813	2.9
307.17639	23.8
420.45096	1.4
439.21893	100.0
440.22049	8.9
455.60709	1.8
462.77753	1.7
496.30997	1.7
499.17999	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34681	0.6
55.01886	1.9
56.17177	0.8
57.03437	2.0
57.30226	0.6
59.01386	34.0
61.07227	0.7
69.03460	1.0
69.21461	3.8
71.01390	14.6
71.01782	0.9
71.50872	0.8
72.97539	1.6
72.99329	1.5
73.02958	6.0
74.97120	3.5
75.97465	0.8
81.03429	0.8
83.01395	3.7
85.02962	7.6
87.00875	3.0
87.04523	3.8
89.02419	1.8
93.73187	0.9
95.01390	1.3
96.96029	1.9
97.03001	0.8
98.02477	1.1
99.00877	2.1
101.02454	9.0
111.00896	1.6
113.02469	2.9
114.86911	0.7
115.04008	4.4
119.03598	0.8
119.05041	1.2
122.02481	1.1
124.01674	1.3
125.02486	1.5
129.97202	0.7
134.03767	2.2
135.04559	3.2
136.01688	1.7
139.07658	1.5
143.47212	0.9
148.05333	1.3
159.04520	0.8
165.05574	2.2
165.12840	1.6
166.13286	1.4
170.04610	6.2
171.04941	3.0
172.05177	2.0
173.06123	1.6
186.94621	0.8
187.07678	3.2
193.05177	0.9
201.05450	0.9
202.06349	1.9
203.10796	5.0
209.08244	1.4
209.94249	0.8
224.13716	1.2
231.10229	6.2
257.11600	1.0
258.11172	1.5
259.11435	3.0
263.12918	3.4
277.21768	2.6
291.19733	2.5
292.20093	6.6
293.20453	1.4
294.20544	1.7
295.22800	31.4
296.23135	2.4
325.18552	1.8
326.18793	4.8
327.18198	9.9
328.18448	17.9
329.18579	1.0
365.19769	0.8
427.21393	0.8
439.27045	16.6
440.27625	1.6
457.28101	39.3
458.28809	4.0
481.19614	0.8
481.28116	1.1
499.29297	100.0
500.29797	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	499.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.32043	2.4
77.38776	1.7
91.03984	2.3
98.09526	1.4
102.03357	1.5
151.43925	1.7
160.72578	1.5
167.44603	1.5
211.60008	1.6
212.55931	1.9
270.10403	1.8
324.51898	1.8
365.26950	9.6
406.74188	1.6
459.08020	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	500.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65636	1.6
59.01384	26.9
60.47689	1.9
64.01918	4.6
65.00321	7.9
65.99850	35.9
86.85250	1.6
100.95813	1.6
105.02214	2.3
108.00912	5.5
110.67460	1.9
120.00878	3.0
131.05122	1.8
133.01724	2.2
136.00424	6.3
136.22154	2.0
136.98816	2.5
149.01173	2.1
163.99924	6.8
164.98262	4.9
165.00710	2.6
170.06206	1.9
171.04491	10.2
175.42358	1.8
175.99887	24.7
177.00615	2.5
187.99776	2.3
189.00673	3.2
190.98512	2.1
191.99345	2.9
194.06340	2.3
198.05698	3.0
213.05560	2.5
224.07397	2.2
226.05093	2.5
229.04984	2.1
236.07153	2.1
238.05170	3.9
240.06561	4.0
242.08330	3.4
255.06499	2.3
268.06168	26.1
269.04526	18.2
270.07809	8.6
280.06155	100.0
281.06433	4.7
308.06027	1.9
336.05148	3.2
337.81305	2.0
352.08215	3.1
384.12366	2.0
396.12418	7.2
412.11948	18.3
440.11417	52.9
505.29239	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	500.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29051	0.9
53.17996	0.6
59.01381	1.5
61.98835	100.0
66.20026	0.6
68.41864	0.6
71.01402	0.9
71.41868	0.7
79.77105	0.7
84.59795	0.6
87.00923	0.9
87.87396	0.6
88.04065	1.6
89.00698	1.0
96.00951	0.8
96.96023	1.9
99.92608	1.3
100.92632	0.7
102.05598	0.9
111.00938	0.7
115.00361	1.0
115.92101	1.0
116.92873	7.5
117.92870	2.3
119.05074	0.9
125.19828	0.7
127.05153	1.3
128.03589	1.1
129.10390	0.8
133.81204	0.7
142.53668	0.6
143.86967	0.7
145.06204	1.7
153.01945	1.2
160.09541	0.8
234.60860	0.6
248.21068	0.8
325.02939	0.8
420.86365	0.8
456.28674	0.8
457.01385	1.1
500.27039	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	500.2297
Annotation	Antibiotic T 2636A
Peak:m/z	Relative Intensity
57.03446	2.8
59.01130	2.6
59.01390	41.0
59.02610	2.3
64.92637	2.5
85.02958	7.5
116.92837	7.9
119.05035	5.9
122.02493	24.3
151.44635	2.1
204.14471	2.3
282.59366	2.3
500.22913	100.0
501.23361	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	501.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	77.1
69.97496	1.5
70.14587	0.5
86.92876	0.4
90.97162	0.7
114.43092	0.6
132.98183	0.8
148.56494	0.5
157.03558	3.0
159.01491	1.5
174.99269	23.1
192.43858	0.6
201.02576	30.7
202.02747	2.1
217.00322	100.0
218.00642	2.1
229.89664	0.5
276.98264	0.7
292.96375	1.0
316.24869	0.5
343.03589	3.3
359.01501	60.6
360.01758	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.065
Annotation	Bazzanin K
Peak:m/z	Relative Intensity
57.03440	1.6
59.01370	3.4
65.00298	1.8
71.01408	6.4
72.99301	5.5
75.00893	1.4
75.61826	1.2
78.28415	1.3
82.00606	2.2
83.01398	3.8
85.02946	5.4
87.00887	4.2
93.03440	2.3
95.01395	5.0
96.96009	4.5
97.02945	4.4
99.00881	7.9
101.02464	1.3
108.02172	2.6
109.02946	3.7
110.00095	14.3
111.00892	40.7
111.01678	2.3
113.02442	5.4
117.03502	3.2
119.04996	1.6
121.02956	6.2
123.00918	9.4
124.98856	1.4
125.02461	3.9
133.02965	1.6
134.03717	5.5
135.04536	4.4
136.98824	2.1
137.02464	2.4
137.99673	2.2
138.04961	1.2
139.00385	48.7
140.01173	30.2
141.01958	43.8
149.02348	2.4
151.00275	2.4
152.01187	4.2
153.01956	10.1
154.99670	1.9
159.03021	2.4
160.98567	4.1
161.02458	33.5
163.04044	5.3
164.98245	6.6
165.01871	3.0
165.99080	12.7
166.99849	5.5
168.00632	4.6
171.03136	1.5
171.04538	2.2
178.99847	2.2
181.01460	2.1
193.01283	3.6
193.03583	3.6
195.04701	1.3
201.01855	1.6
213.05661	1.7
215.03502	2.7
216.04263	1.6
219.96266	2.3
239.03401	2.7
240.04335	2.5
241.05083	2.2
256.03745	1.5
267.03024	2.6
279.01080	1.5
281.04260	2.6
284.03250	3.1
285.04163	8.6
293.02570	1.9
297.02136	6.3
301.03540	1.9
302.04410	10.5
303.05069	8.5
307.02164	6.9
321.02264	6.0
324.02698	7.6
325.03363	23.4
337.01846	5.1
339.03342	31.9
365.01138	4.9
483.05496	12.6
501.06546	100.0
502.07025	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	501.1045
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
59.01380	7.0
63.02407	3.4
64.29669	0.3
65.00325	3.6
69.25104	0.6
69.25508	1.2
71.01383	1.0
73.02939	0.4
73.97955	0.3
83.01385	0.5
85.02930	0.8
89.02441	0.3
97.03902	0.3
101.02436	0.6
107.01396	3.7
113.02434	0.7
119.05037	0.9
131.01515	0.3
139.05479	0.3
143.05045	3.8
145.02977	2.2
151.00331	2.4
153.07060	0.4
161.04568	0.6
165.07091	1.2
167.05025	1.2
171.08170	0.3
180.05861	2.4
181.06607	1.9
183.04614	0.3
185.06081	1.1
187.03970	0.4
193.06624	0.3
208.05325	0.5
209.06097	10.0
211.03998	0.9
224.04768	1.6
225.05579	1.3
237.05701	0.5
252.04224	0.8
253.05074	100.0
254.05412	5.2
263.12994	0.6
264.59406	0.4
265.05042	0.4
267.06653	0.7
295.06107	1.5
415.10648	1.7
418.96890	0.3
457.11414	49.7
458.11755	3.6
501.30823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48219	1.0
52.25977	1.0
65.00330	23.0
69.12362	6.9
73.09445	1.1
81.03464	22.3
92.99841	4.8
96.99328	4.4
108.99295	1.5
120.99336	2.2
136.98802	15.2
138.54497	1.1
164.34560	1.1
164.98309	35.8
167.48671	1.0
171.04457	1.3
199.04048	1.7
227.03575	1.8
231.06619	13.7
241.05177	5.6
269.04568	100.0
270.04910	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	501.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	56.8
60.99324	12.1
69.34864	8.5
69.35200	26.9
71.01379	6.1
71.05124	5.4
82.22890	5.5
88.98814	100.0
93.03471	8.4
96.95962	6.2
101.02422	9.0
110.23933	5.0
112.78282	5.1
137.02428	7.8
237.89758	5.0
245.15874	5.6
265.80270	4.6
269.04779	6.3
501.23108	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	501.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79431	0.8
59.01392	1.6
61.98802	0.9
67.10533	0.7
71.01395	0.9
74.26223	0.9
78.95915	100.0
96.96005	1.2
96.96970	22.5
112.04342	0.7
112.93814	3.1
113.02466	0.8
119.05038	1.3
123.04545	1.6
128.03560	1.1
132.19872	0.8
145.09785	0.8
155.29825	0.8
157.62689	0.9
164.72372	0.7
166.02702	1.0
167.03540	6.0
181.10747	0.8
183.74976	0.8
206.92020	2.6
209.04543	3.5
213.00812	0.7
219.78732	0.9
349.37677	0.8
357.08948	51.6
358.09128	2.8
399.10049	5.1
439.12979	1.5
444.08203	0.8
463.14511	7.3
465.15207	0.9
501.13190	11.9
501.26068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
57.03468	4.0
59.01387	100.0
61.98835	23.8
69.17008	17.2
69.17411	4.9
71.01394	59.4
72.99313	5.6
73.02952	44.4
75.00886	28.1
79.47079	3.8
83.01388	9.0
85.02968	29.7
89.02454	32.4
95.01431	4.2
99.00893	76.2
101.02442	24.4
113.02472	37.7
119.05018	4.1
125.02455	6.2
131.03560	9.4
135.04443	3.7
143.03503	5.4
149.04588	23.0
151.94945	3.7
154.63269	3.4
155.03534	3.5
161.04576	7.8
163.85692	3.6
173.69278	3.4
176.47951	4.1
191.05637	29.0
203.05573	8.7
349.29742	3.4
397.24850	4.2
457.16956	13.8
501.16083	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96365	0.3
51.87469	0.3
52.95833	0.3
59.01387	3.3
60.75242	0.3
61.98828	0.5
69.68025	0.6
69.68419	0.7
71.01379	1.6
72.10994	0.3
73.02951	1.3
75.00877	0.6
78.95910	0.4
79.95750	2.8
80.96519	1.5
84.18222	0.3
85.02957	1.2
86.15529	0.3
87.00895	0.6
89.02463	0.9
96.96021	100.0
97.95980	0.4
98.22661	0.5
99.00867	0.6
101.02442	1.3
101.39050	0.2
111.70523	0.3
113.02462	0.8
119.05019	0.3
152.98645	3.2
172.24513	0.3
197.85892	0.3
210.99178	1.7
238.02847	0.3
261.74164	0.3
275.09647	0.3
281.16986	0.3
389.03964	5.0
501.16510	64.7
502.16937	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	501.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45496	2.9
59.01388	35.1
59.59277	2.5
61.42287	2.8
68.94745	2.9
69.19851	20.2
73.02953	5.0
74.20020	3.0
83.05019	8.1
83.25838	2.9
85.02949	15.8
87.04540	7.8
113.02464	3.7
148.74344	2.8
181.31956	3.6
182.97755	2.5
191.14438	3.7
201.12839	4.1
203.14429	7.3
217.16026	3.3
219.13951	15.1
221.15451	5.8
259.17010	3.0
273.18634	4.7
289.14508	18.6
291.19809	15.0
291.22586	2.9
393.99829	3.3
405.19238	100.0
406.19510	9.4
431.85715	3.0
441.21765	4.5
471.25180	3.2
504.65253	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	501.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68826	6.3
59.01385	8.7
61.98835	100.0
62.72889	6.4
68.98959	6.7
69.37187	27.0
74.13102	6.1
79.16149	5.4
88.27033	6.2
112.20892	5.6
126.90546	7.6
127.18737	5.9
138.87964	6.5
173.67307	6.7
204.73170	6.6
233.43520	6.3
458.34213	7.1
461.00623	7.4
468.74066	7.8
501.16946	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	501.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
59.01083	0.6
59.01386	10.2
67.01890	4.0
71.01401	1.2
73.02946	0.6
74.94608	0.3
83.01395	0.7
85.02960	1.2
87.00890	8.4
89.02459	0.6
96.96011	0.3
97.06583	0.4
98.22639	0.8
99.00874	0.4
101.02468	0.7
109.02975	0.3
111.00895	100.0
112.01222	1.1
113.02434	0.6
119.05006	0.5
119.37444	0.3
133.02998	0.4
134.03777	1.0
135.04546	1.8
147.73067	0.3
154.99860	0.4
161.02446	0.5
173.00922	8.4
175.89851	0.4
187.07727	2.1
202.06335	1.1
206.82057	0.4
231.10289	1.2
237.07700	0.8
248.47725	0.4
253.10825	0.6
263.12796	2.1
327.21912	1.5
344.12500	0.4
372.11935	0.6
469.18738	0.7
501.13107	0.9
501.22839	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	501.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01711	0.5
61.98839	0.7
64.81310	0.4
71.01386	2.3
71.43774	0.6
83.01414	0.9
85.02937	0.6
87.00890	0.5
89.02482	2.1
96.96066	0.7
99.92616	1.6
100.93409	1.1
101.02486	1.4
108.04404	0.5
111.00935	1.0
113.02505	1.9
115.92110	1.8
116.92908	1.3
117.03498	0.6
119.03560	0.7
119.05067	0.8
121.02956	2.4
135.04585	2.1
142.94473	1.9
143.03546	0.5
161.04692	0.6
179.03513	1.2
187.07674	0.6
208.28242	0.5
215.07143	0.5
256.03806	0.7
263.12921	0.7
336.92737	0.5
399.24194	1.4
501.01407	2.4
501.21210	0.6
501.27823	0.8
502.02185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
65.00327	1.0
65.99839	0.5
68.20031	0.3
68.98442	0.3
69.31432	1.0
81.03455	0.4
94.03017	0.4
95.01344	0.4
96.00913	0.4
98.02473	0.7
98.22584	0.7
110.02490	3.4
116.60519	0.3
120.51677	0.3
122.02477	0.9
123.02451	0.5
123.03268	4.0
134.02498	3.3
135.03304	4.9
136.00400	1.9
138.01967	2.2
140.03508	0.4
151.02744	4.7
155.02238	1.2
164.98318	0.7
166.01416	1.0
171.04449	0.5
172.07753	0.4
173.06018	0.7
179.02203	0.7
192.03020	2.2
197.06174	0.7
199.07684	0.5
200.07115	0.9
219.61404	0.3
224.07253	0.8
225.05603	0.5
226.08644	2.2
227.07208	0.4
228.06619	1.2
239.25693	0.3
240.06656	0.3
242.08241	38.3
243.08641	1.7
243.65779	0.3
252.06635	0.7
254.05966	0.3
268.06158	0.9
269.04517	1.7
270.07721	100.0
271.08069	5.3
294.07721	1.8
296.05707	1.2
299.05615	0.3
312.08789	5.7
333.18021	0.4
338.06619	0.7
397.87393	0.3
442.13058	0.4
508.66409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44157	0.3
59.01382	1.0
65.00350	0.8
65.99870	0.7
68.99806	0.2
69.62479	1.0
76.59748	0.2
81.03466	0.4
82.03032	0.3
88.33656	0.3
95.01414	0.3
96.00978	0.4
98.02515	0.8
98.21919	0.4
110.02477	2.3
111.00900	0.4
111.19483	0.2
112.49043	0.3
120.00968	0.3
122.02496	0.9
123.03297	3.7
124.00455	0.3
134.02496	3.7
135.03273	4.9
136.00410	2.4
136.98856	0.3
138.01991	2.4
139.02794	0.3
140.03545	2.0
151.01595	0.5
151.02756	5.0
155.02257	1.3
157.06616	0.3
163.99924	0.4
164.98297	0.6
165.00618	0.4
166.01437	1.7
171.04527	0.4
173.06137	0.4
179.02318	0.3
192.03062	2.5
197.06133	0.4
200.07182	1.0
224.07201	0.7
225.05574	0.5
226.08719	1.9
227.07130	0.6
228.06740	1.5
241.05057	0.4
242.08252	37.4
243.08641	1.9
252.06595	1.2
254.06042	0.3
257.04608	0.3
268.06180	0.8
269.04550	1.2
270.07730	100.0
271.08115	5.0
286.07208	1.1
296.05698	0.5
362.86893	0.3
442.13147	0.3
502.13919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.7
62.47893	0.4
64.01917	0.9
65.00318	1.9
65.03963	0.8
65.99853	8.8
66.58318	0.5
68.99793	0.8
69.24854	2.6
80.01438	0.4
81.02197	0.7
82.35425	0.5
83.01381	0.7
85.10296	0.4
93.03451	2.0
94.02972	0.8
95.01406	0.8
96.00922	4.1
98.02496	1.4
107.01382	0.8
107.05019	1.4
108.00925	1.7
109.01729	2.5
109.02945	2.5
110.00081	0.8
110.02474	1.1
112.93794	0.8
117.03453	0.4
119.05035	43.9
120.00909	2.8
120.05369	0.6
121.01745	3.1
121.02447	0.5
121.02931	0.4
122.02496	3.6
124.00414	1.1
132.04526	0.5
135.00877	0.7
136.00421	11.7
136.04051	2.1
136.98793	0.7
137.01181	1.3
138.01987	6.1
140.03468	0.5
143.05025	2.3
145.02942	1.7
150.01970	1.0
150.05669	0.8
151.00378	1.6
151.02756	1.1
151.04010	17.3
152.03542	11.5
157.06573	1.0
161.06082	0.6
163.04022	3.2
163.99915	13.6
164.04813	0.4
165.00687	12.4
166.01466	14.4
173.06161	1.2
174.05597	1.6
175.07649	1.5
175.99899	6.0
176.03639	0.5
179.02290	1.0
180.03036	7.0
184.02458	0.6
187.04065	2.1
192.03067	2.1
192.06635	0.9
201.05623	1.9
202.01500	0.9
202.06358	0.5
203.07138	0.6
215.07132	5.1
217.08719	9.9
218.04659	2.3
223.47023	0.4
224.14046	0.4
230.04604	1.4
230.08289	1.4
242.04669	0.5
244.09741	1.7
256.06219	0.9
258.07715	1.7
268.06274	0.8
270.11514	0.6
271.06259	1.0
272.09320	0.7
284.05670	21.4
285.06454	12.1
286.07220	100.0
287.07474	4.9
296.05634	2.4
296.08853	0.6
312.12335	0.6
314.10254	2.4
338.10327	3.5
339.03918	0.7
350.10281	0.9
356.11429	3.0
378.83710	0.5
382.09268	1.7
458.16278	0.6
459.09637	0.9
460.14047	0.8
469.33505	0.6
502.15121	18.4
503.15506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83123	0.6
59.01388	1.2
61.98823	0.8
67.31994	0.7
69.08797	2.9
69.09217	2.0
71.01402	0.7
72.97527	1.2
73.98318	4.2
74.00704	3.7
81.03445	0.8
84.02163	1.0
86.02486	6.4
89.00674	100.0
90.01032	1.0
96.96027	1.1
99.04543	1.7
110.94041	0.8
112.93809	0.8
113.53535	0.8
114.03846	3.2
115.02242	17.4
118.23824	0.8
119.05010	2.9
120.01254	3.6
127.04033	2.6
128.03606	0.8
135.04550	1.0
135.08177	8.3
149.09741	2.1
153.64204	0.7
158.02826	3.7
176.03873	23.5
177.04117	1.0
199.11282	5.1
202.05475	0.9
204.92326	1.3
205.10535	1.8
206.92018	2.1
231.08488	2.8
233.10065	23.3
249.09569	1.4
251.05217	0.9
251.11183	1.1
255.02988	1.0
258.68515	0.7
262.72647	0.8
263.12878	0.9
289.14413	0.7
299.01938	1.8
307.15375	3.2
318.11740	1.1
320.13226	2.2
343.13733	1.4
361.14713	2.1
379.15839	2.8
422.20325	1.0
448.18121	2.7
466.18997	11.2
484.20013	18.8
485.20404	1.7
502.21033	11.3
503.21848	1.2
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
61.98836	100.0
69.39567	3.2
78.95909	1.1
88.72276	0.8
89.83688	0.7
154.49460	0.7
206.32909	0.9
237.46399	0.9
328.23962	0.8
336.53937	0.9
350.13669	0.9
406.27628	0.8
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
55.50205	3.1
61.98837	100.0
63.05122	3.4
66.26968	3.6
70.01120	7.1
78.95888	4.0
96.96010	3.3
108.19127	4.0
149.75874	3.3
192.60883	3.4
242.30052	3.4
243.32977	3.3
281.91992	3.3
383.25851	4.3
526.04181	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	502.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.63892	1.0
69.17245	7.6
74.16058	1.1
82.90208	1.2
91.96223	1.2
131.39717	1.2
156.30354	1.3
166.96413	1.1
221.74734	1.3
232.71225	1.3
273.87784	1.3
299.89716	1.3
521.49719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25590	1.6
59.01365	6.2
65.00319	11.2
65.99847	5.6
68.99829	9.8
69.05145	13.5
69.16513	1.7
69.67811	1.7
75.00874	5.2
83.01409	3.2
91.81281	1.8
92.99815	1.8
98.22669	2.9
99.00891	6.4
101.03946	2.7
103.00412	2.4
104.96284	1.8
109.02885	1.7
111.99586	3.8
117.03455	2.6
121.02905	1.8
127.00381	5.5
127.05516	8.6
130.99907	2.5
131.05008	4.6
136.98814	2.2
139.00420	2.0
139.05539	2.1
139.72504	1.9
143.04973	1.6
145.06606	5.4
147.04539	40.0
149.24728	1.6
151.05536	19.8
152.06165	2.3
153.07082	4.4
155.05019	4.4
156.05736	3.0
159.08142	2.8
160.21353	1.6
164.98288	4.6
165.02074	2.2
165.99097	3.8
167.05006	7.9
169.06564	2.3
171.04546	19.6
173.06084	3.6
177.99097	1.8
179.04985	11.7
180.05815	23.9
181.06456	3.6
183.04526	8.1
193.01424	3.4
195.04530	14.6
196.05208	3.0
197.02844	2.4
197.06015	4.7
199.03934	3.6
201.05573	10.6
207.04439	2.2
208.05203	4.6
209.06047	5.0
211.04115	3.5
211.07603	10.2
212.04881	2.5
213.05595	9.7
214.02670	2.8
215.07182	2.5
221.00864	4.2
223.03958	6.0
224.04747	15.5
225.05537	4.9
227.07159	2.5
239.07083	5.9
240.04391	2.1
241.05042	13.4
243.06566	3.5
249.00438	5.7
250.55882	1.9
251.03471	7.8
252.04230	12.1
253.05084	2.6
255.06656	34.1
267.06653	6.0
268.03625	6.4
269.01849	3.2
269.04565	46.0
270.04916	3.7
279.02994	2.5
283.06229	13.9
283.11200	2.8
284.03357	4.0
284.06799	15.4
285.03946	1.9
299.05576	9.4
299.09210	42.5
311.05518	8.1
327.10159	2.8
344.10220	2.6
353.06769	11.0
355.04584	11.2
355.08734	1.9
372.09964	2.1
375.12567	2.2
403.11853	10.3
431.11188	8.3
459.10904	100.0
460.11246	8.5
503.09781	97.0
503.22745	6.6
503.33670	5.4
504.08667	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0988
Annotation	Benaphthamycin
Peak:m/z	Relative Intensity
54.25590	1.6
59.01365	6.2
65.00319	11.2
65.99847	5.6
68.99829	9.8
69.05145	13.5
69.16513	1.7
69.67811	1.7
75.00874	5.2
83.01409	3.2
91.81281	1.8
92.99815	1.8
98.22669	2.9
99.00891	6.4
101.03946	2.7
103.00412	2.4
104.96284	1.8
109.02885	1.7
111.99586	3.8
117.03455	2.6
121.02905	1.8
127.00381	5.5
127.05516	8.6
130.99907	2.5
131.05008	4.6
136.98814	2.2
139.00420	2.0
139.05539	2.1
139.72504	1.9
143.04973	1.6
145.06606	5.4
147.04539	40.0
149.24728	1.6
151.05536	19.8
152.06165	2.3
153.07082	4.4
155.05019	4.4
156.05736	3.0
159.08142	2.8
160.21353	1.6
164.98288	4.6
165.02074	2.2
165.99097	3.8
167.05006	7.9
169.06564	2.3
171.04546	19.6
173.06084	3.6
177.99097	1.8
179.04985	11.7
180.05815	23.9
181.06456	3.6
183.04526	8.1
193.01424	3.4
195.04530	14.6
196.05208	3.0
197.02844	2.4
197.06015	4.7
199.03934	3.6
201.05573	10.6
207.04439	2.2
208.05203	4.6
209.06047	5.0
211.04115	3.5
211.07603	10.2
212.04881	2.5
213.05595	9.7
214.02670	2.8
215.07182	2.5
221.00864	4.2
223.03958	6.0
224.04747	15.5
225.05537	4.9
227.07159	2.5
239.07083	5.9
240.04391	2.1
241.05042	13.4
243.06566	3.5
249.00438	5.7
250.55882	1.9
251.03471	7.8
252.04230	12.1
253.05084	2.6
255.06656	34.1
267.06653	6.0
268.03625	6.4
269.01849	3.2
269.04565	46.0
270.04916	3.7
279.02994	2.5
283.06229	13.9
283.11200	2.8
284.03357	4.0
284.06799	15.4
285.03946	1.9
299.05576	9.4
299.09210	42.5
311.05518	8.1
327.10159	2.8
344.10220	2.6
353.06769	11.0
355.04584	11.2
355.08734	1.9
372.09964	2.1
375.12567	2.2
403.11853	10.3
431.11188	8.3
459.10904	100.0
460.11246	8.5
503.09781	97.0
503.22745	6.6
503.33670	5.4
504.08667	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66867	0.6
57.05417	0.5
59.01378	1.9
61.89570	0.5
65.00330	1.4
78.43860	0.7
82.00629	1.4
110.00106	12.4
116.00161	0.6
117.03477	2.5
119.05040	3.3
135.04459	0.8
136.98813	1.6
137.99602	6.2
140.01141	0.5
153.01927	2.4
161.02454	7.6
164.01257	1.2
164.98328	2.8
165.99101	12.7
181.01463	1.1
183.04530	1.4
185.02505	1.1
187.04007	1.0
200.17624	0.6
211.03979	0.8
211.07632	2.1
212.04831	2.0
214.02747	1.8
223.04013	0.8
227.03601	1.3
237.05653	0.7
239.03635	0.7
240.04234	0.7
255.02980	2.8
256.03766	0.9
267.03165	0.8
283.02539	10.6
284.03290	52.5
285.03738	3.8
298.04861	2.6
299.05634	100.0
300.05960	4.9
305.25888	0.6
443.09958	6.1
459.12778	1.2
461.10931	2.3
503.12103	18.2
504.12308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
65.00333	1.4
68.99816	0.4
69.32510	0.7
75.31873	0.2
82.00613	1.7
92.99782	0.2
93.03457	0.2
94.00615	0.2
96.99313	0.2
110.00112	15.0
111.56288	0.2
117.03477	2.6
119.05043	2.8
119.05820	0.3
122.00112	0.3
125.02470	0.4
129.95085	0.2
133.03001	0.3
135.04579	0.4
136.98801	1.1
137.02504	0.2
137.98541	0.3
137.99606	6.8
139.00330	0.2
140.01131	0.3
143.05058	0.3
146.03697	0.3
146.11696	0.2
153.01962	2.4
155.03517	0.3
159.04527	0.2
161.02472	4.9
163.00378	0.5
164.01151	0.9
164.98338	1.7
165.01930	0.2
165.99089	13.9
166.99580	0.2
172.05490	0.3
178.89549	0.2
181.01392	1.1
182.02235	0.3
183.04550	0.9
185.02432	0.5
187.03999	0.8
188.04791	0.3
190.99942	0.6
195.04555	0.4
196.05353	0.2
197.04587	0.2
199.04059	0.2
200.04884	1.0
211.04047	1.1
212.04816	2.3
213.01907	0.2
213.05292	0.2
214.02759	2.0
223.04143	0.3
227.03517	1.3
228.04271	0.5
239.03517	0.5
240.04250	1.4
242.02106	0.2
255.03043	1.7
256.03720	0.6
257.04572	0.2
266.02176	0.3
267.03088	0.9
281.04599	0.3
283.02515	5.2
284.03290	54.1
285.03662	3.1
298.04855	0.8
299.05621	100.0
300.05942	4.1
341.06723	0.7
443.09726	0.3
446.42062	0.2
461.10623	0.5
503.12027	12.5
504.12408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
63.02413	1.7
63.65435	1.3
65.00328	13.3
69.37349	1.3
77.27803	1.4
83.01395	6.3
107.01398	19.4
145.06607	2.5
150.99168	2.4
151.00389	44.1
152.00835	1.6
169.06624	2.3
171.04466	2.4
177.01942	11.4
187.11278	1.5
211.07747	1.8
213.05585	5.7
253.05135	2.1
254.05675	1.7
255.06653	100.0
256.06989	6.2
275.43985	1.7
284.03305	2.0
297.07648	3.0
299.05673	3.2
399.11261	1.5
459.12994	81.9
460.13531	6.3
504.08237	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	503.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11713	0.8
56.31196	0.6
59.01379	3.4
61.98789	0.9
63.02400	1.9
65.00327	11.0
69.14671	4.4
71.01382	1.5
73.46232	0.6
83.01389	5.3
85.02931	0.8
88.68819	0.7
104.53162	0.6
105.08730	0.7
107.01401	18.0
113.02452	1.4
117.03471	0.6
117.90030	0.6
119.03615	0.6
119.05006	0.7
125.02451	1.0
127.34216	0.8
133.02962	1.0
135.04483	0.6
145.06595	2.7
149.02426	1.3
151.00386	40.4
152.00781	0.7
152.55661	0.7
169.06549	2.0
171.04541	2.6
175.00232	0.6
177.01952	10.7
179.03351	0.7
183.08162	1.4
185.06090	0.9
187.07597	1.4
211.07640	2.8
213.05585	6.4
227.07034	1.6
240.04237	0.8
251.07237	0.6
253.05255	0.8
254.05931	1.6
255.06653	100.0
256.06927	5.3
257.04440	0.9
279.06726	1.0
297.07645	2.3
327.21741	1.5
359.15176	1.6
417.12140	1.8
459.13004	83.4
460.13312	5.8
496.08905	0.8
503.25772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1201
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
50.28212	0.8
51.01660	0.9
59.01389	5.6
63.72491	1.0
65.00324	7.3
71.01387	1.0
71.34164	0.9
82.59608	0.9
82.95424	4.2
83.01385	2.7
103.00975	1.0
107.01429	5.8
110.00140	1.4
111.00941	1.0
113.02493	1.4
114.02399	0.9
119.05051	1.1
125.02448	1.4
133.02916	1.1
139.00314	1.3
141.07141	1.1
142.23663	1.0
145.06569	2.9
147.04601	1.2
151.00386	13.4
164.98309	1.5
165.99088	1.9
169.06610	2.7
170.62000	1.2
171.04535	6.7
173.06026	1.3
183.08157	3.3
187.07645	1.4
211.07675	9.6
213.05556	1.7
230.90977	1.1
237.05600	1.2
239.10942	1.2
255.06656	100.0
256.06937	5.4
284.03214	5.0
295.06174	1.8
297.07678	1.8
299.05673	12.5
323.16678	1.6
341.14236	1.1
459.12863	4.6
490.98105	1.2
503.11182	2.1
503.23087	3.3
504.08414	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	503.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
65.00326	4.7
68.99857	1.0
69.16988	5.0
82.00639	1.7
84.12045	0.8
85.02979	1.9
91.29913	0.8
92.00198	0.8
96.96043	1.3
96.99388	1.1
98.21790	1.3
98.95628	1.1
108.87328	0.7
110.00098	13.3
111.00998	0.9
113.02509	2.9
117.03529	1.4
118.69363	0.8
124.01709	2.2
136.98807	8.7
137.99614	5.5
143.05069	1.0
149.99619	1.1
152.01213	2.1
161.02359	0.9
164.98300	8.5
165.99066	11.1
180.00684	1.3
183.04543	2.7
185.02457	3.5
200.04846	1.7
208.91151	0.8
211.04126	2.5
212.04849	2.5
214.02823	1.5
215.77254	0.8
227.03534	1.9
239.03674	1.2
240.04312	0.9
255.02998	8.1
256.03403	0.8
267.02939	0.9
268.03772	1.8
269.04507	2.0
269.72083	0.8
283.02518	23.6
283.05795	1.6
284.03275	84.4
285.03757	5.3
297.04108	8.1
298.04681	2.0
299.05609	100.0
300.06058	4.7
309.04013	0.9
311.05673	1.1
327.05023	0.8
327.08658	2.8
339.13065	0.7
341.06607	6.6
362.11377	0.8
439.29974	0.8
488.09363	1.5
503.11795	27.8
503.23221	1.1
504.12326	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01885	1.1
58.90331	1.1
59.01394	8.9
70.59102	2.4
71.01385	5.9
72.69991	1.1
81.87776	1.1
87.00905	1.8
89.02454	6.1
89.02927	1.3
98.21998	1.6
101.02473	3.3
107.35883	1.3
113.02459	3.2
119.03502	1.4
128.13634	1.2
132.02170	2.0
133.02968	30.7
135.04539	14.1
161.02460	100.0
162.02846	2.7
177.05632	3.1
179.03513	11.9
179.05606	4.1
181.86618	1.2
206.47928	1.1
221.04576	1.9
255.02908	1.3
281.06641	2.3
341.08865	2.0
503.14093	69.1
504.14624	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
59.01388	7.7
61.98814	0.8
64.95898	0.6
71.01390	8.9
72.99316	1.0
73.02948	17.8
83.01414	0.7
85.02946	7.5
89.00633	1.1
89.02458	3.1
95.01391	3.4
96.96024	1.0
101.02434	2.3
103.04016	17.0
108.02176	44.3
109.02976	13.5
113.02454	10.5
119.03538	0.8
119.05058	0.8
122.03825	0.7
125.02465	0.8
133.02966	1.2
133.69221	0.6
134.03838	0.7
135.00894	2.1
135.04520	9.3
137.02498	0.7
137.15868	0.6
145.02994	1.1
149.02408	0.9
151.00389	1.8
152.01160	100.0
153.01833	2.7
161.02429	1.7
161.04482	0.9
161.30336	0.6
163.00366	7.1
163.04041	3.5
165.02008	0.7
171.04567	1.0
175.04060	1.2
175.19778	0.6
177.02171	1.1
179.03528	1.1
179.33151	0.6
183.04524	2.6
185.02441	0.7
187.04041	2.5
199.04021	2.1
203.03516	2.1
207.03035	1.0
210.03174	1.1
211.04030	3.9
213.01921	1.9
220.10638	0.7
226.02756	1.3
227.03491	15.1
229.01382	1.7
231.02934	3.4
241.07237	0.9
243.02940	1.3
255.02991	11.3
267.05167	1.1
271.02423	2.5
281.00906	1.6
299.01981	30.7
300.02353	1.6
315.10760	1.1
332.91599	0.7
347.15802	0.8
388.26096	0.7
399.09323	25.4
400.09552	1.6
417.10333	2.5
443.15527	2.1
452.11566	0.7
461.16690	18.9
462.17191	0.8
473.12933	1.7
485.12878	11.0
486.13425	1.0
503.14014	81.4
504.08917	0.7
504.14761	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	503.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.3
57.03466	1.6
59.01385	34.7
61.46658	0.7
62.18533	0.7
64.84115	0.9
71.01392	24.1
72.99361	0.8
73.02967	3.9
83.01401	1.9
85.02959	12.0
87.00900	3.4
89.02453	13.3
89.02951	1.0
95.01402	4.2
95.50555	0.7
97.02955	1.0
98.22661	1.3
99.00906	1.5
101.02458	11.4
101.77274	0.7
109.02954	1.6
113.02465	27.4
117.03485	2.1
119.03526	3.8
119.05078	2.9
121.03012	1.1
123.04509	1.9
125.02492	1.7
131.03571	1.1
132.02240	1.0
133.02975	30.2
134.03732	3.2
135.04549	50.5
136.04880	1.9
137.02515	1.1
137.06085	1.9
138.77428	0.7
139.04054	1.0
143.03554	1.5
149.06128	2.6
153.05577	2.3
159.04521	0.8
161.02464	100.0
161.04623	2.9
162.02809	3.1
177.05569	6.9
179.03516	32.8
179.05611	3.4
180.03821	0.8
197.04587	2.6
203.03535	1.7
221.04597	11.0
221.06686	1.9
239.05620	3.6
251.05618	7.8
263.07758	1.3
269.06653	0.9
272.03406	0.8
281.03931	0.9
281.06735	13.7
282.07056	1.2
299.07916	1.5
299.11273	3.2
315.10797	2.8
323.07632	8.5
335.04306	0.8
341.08691	9.0
443.15692	7.3
461.16711	39.6
462.16931	3.0
503.13901	56.4
504.14197	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	503.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97075	0.7
59.01390	1.7
61.43026	0.6
62.98248	0.6
65.00326	3.6
65.99876	2.1
68.99839	1.3
71.40230	0.8
75.00883	1.3
81.25934	0.6
99.00922	1.0
99.06419	0.6
111.00903	0.8
111.99609	1.3
127.00385	1.6
127.05589	1.6
131.05067	1.1
136.98795	4.2
139.00427	0.9
139.05586	2.0
145.06624	1.2
147.04535	7.6
151.05565	3.5
153.01962	1.8
153.07153	0.7
155.05028	1.0
164.98328	7.9
165.02115	0.7
165.99023	0.5
169.06616	1.0
171.04587	5.2
173.06094	0.7
179.05029	2.5
180.00682	2.6
180.05841	5.2
180.15456	0.6
181.06485	1.6
183.04561	2.1
184.05299	2.0
195.04617	2.4
196.05368	1.7
197.06104	1.3
201.05627	1.9
205.01563	0.6
207.04620	1.1
208.05325	0.8
209.06157	1.2
211.04105	1.5
211.07605	1.5
212.04796	2.5
213.05659	2.1
223.04013	1.1
224.04808	2.2
225.05698	1.1
227.07098	1.1
239.07262	0.9
240.04243	1.7
241.05074	30.1
249.00398	0.9
251.03410	1.5
252.04265	1.3
255.06668	6.7
265.05026	0.8
267.03043	1.1
267.06653	1.2
268.03775	3.3
269.04559	100.0
270.04892	4.0
271.06180	0.9
283.06143	9.6
284.03418	2.0
284.06894	37.1
285.07248	2.2
299.05807	6.1
299.09232	90.0
300.09561	4.6
353.06558	2.5
355.04645	2.5
403.11957	1.1
431.11310	1.3
459.10870	13.6
460.10831	1.3
503.09558	12.9
503.15158	1.4
503.22974	1.9
504.08563	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	503.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03447	1.9
59.01385	100.0
61.98834	3.3
69.03461	1.9
70.37202	2.1
71.01389	67.3
72.01718	0.8
72.99315	2.4
73.02951	7.4
75.00886	2.0
78.95898	1.1
83.01402	2.2
85.02954	13.2
85.15083	0.8
87.00891	17.8
87.49001	0.8
89.02454	81.5
90.02816	1.0
95.01385	4.4
97.02975	2.4
99.00921	1.8
101.02454	46.1
107.03510	0.8
113.02465	28.6
119.03528	16.4
119.35323	0.7
125.02456	3.4
131.03534	5.8
131.08310	1.3
141.01839	1.9
143.03526	10.1
145.06175	1.8
149.04553	2.8
161.02473	3.3
161.04585	16.3
179.05632	85.2
180.05983	1.8
221.06673	44.0
235.10846	1.0
263.07651	1.0
281.08908	4.4
323.09943	7.8
341.10910	6.4
488.84723	0.8
503.16220	49.3
504.16803	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	503.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88063	0.6
55.01882	1.2
57.03449	1.5
59.01383	100.0
69.03468	0.9
69.46262	2.9
71.01388	72.0
72.01695	1.1
72.99324	1.6
73.02954	9.6
75.00903	0.8
76.96020	0.6
78.95921	1.8
83.01414	4.5
85.02955	12.3
87.00882	20.0
89.02451	84.6
90.02760	0.8
95.01402	4.7
96.96024	1.9
96.96997	2.7
97.02942	1.0
99.00897	1.7
100.30833	0.7
101.02451	47.8
102.02762	0.6
111.00860	0.9
113.02460	30.5
119.03509	16.0
125.02451	3.5
129.96750	0.7
131.03511	5.7
141.01930	1.9
143.03513	9.5
149.04558	2.5
161.04579	19.2
179.05623	86.1
180.05949	1.3
213.68213	0.7
221.06676	47.6
221.96132	0.7
222.06966	1.7
263.07703	1.7
264.33334	0.8
281.08878	3.0
311.10040	0.8
323.09891	7.5
341.11002	7.2
369.74634	0.7
503.16193	47.7
504.16666	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	503.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03438	3.4
59.01383	52.1
61.98835	1.6
67.01868	1.8
69.80172	4.4
71.01385	41.0
72.99287	2.4
73.02946	4.7
75.05778	1.4
78.45556	2.0
83.01395	3.0
85.02958	35.4
87.00880	4.4
89.02461	22.5
95.01394	12.2
97.02951	2.9
99.00871	1.9
101.02474	12.5
107.05076	1.7
111.00895	1.6
113.02462	65.7
114.02745	1.9
117.03452	1.4
119.03480	7.2
119.04965	2.2
121.02953	2.6
123.04527	4.3
126.27722	1.6
129.83707	1.6
133.02968	20.6
134.03746	4.1
135.04536	71.5
136.04813	1.9
137.02484	1.9
137.06107	2.9
143.03462	4.3
149.06087	3.6
153.05551	5.5
161.02457	70.9
161.04437	7.6
162.02711	1.9
177.05524	3.0
179.03519	25.1
179.05653	4.5
181.01575	1.9
182.02216	2.6
196.03804	2.4
197.04570	6.7
211.06226	1.8
221.04564	7.4
221.06534	3.7
238.30754	1.5
239.05630	11.4
251.05505	5.6
269.06815	2.3
281.06772	8.9
291.12778	1.8
297.09738	2.6
299.07675	5.4
299.11060	1.8
315.10934	9.9
323.07599	5.1
341.08347	7.2
443.15585	10.4
461.16678	100.0
462.16962	9.2
503.13470	40.1
504.14435	2.7
517.73248	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	503.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72836	1.2
55.01862	1.2
55.04500	1.0
57.03436	1.7
57.57450	1.2
59.01383	48.6
61.98821	2.8
63.18262	1.0
69.03458	2.0
69.52847	5.0
71.01389	18.3
72.99324	2.2
73.02950	13.4
75.00888	2.3
79.95747	1.9
83.01396	4.1
85.02954	10.0
86.00085	1.3
87.00877	9.4
87.04509	2.7
87.50488	1.1
89.02450	12.2
93.03439	1.7
96.96015	3.8
98.22601	2.7
101.02454	23.6
103.04007	11.0
104.69056	1.1
111.00890	1.4
113.02467	7.1
115.04009	6.4
119.03514	9.3
131.03491	6.0
133.02966	3.8
134.03755	2.9
135.04552	3.8
135.64645	1.1
137.02428	3.1
141.01906	1.7
143.03505	10.4
145.05070	4.5
152.01137	1.7
161.02469	17.2
161.04501	1.5
162.03236	69.9
163.03815	1.2
163.06133	27.0
177.05582	100.0
178.05896	3.5
179.03435	1.6
179.05637	2.8
180.38634	1.1
205.07162	12.1
246.11073	1.0
247.08231	6.4
251.05605	1.5
261.52951	1.1
383.09894	6.6
502.27847	1.4
503.06686	1.5
503.13373	2.1
503.27985	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	503.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00625	1.0
59.01383	19.2
61.98816	2.1
71.01389	13.2
73.02959	2.7
76.83257	1.0
80.33174	0.9
83.01379	1.3
85.02951	3.1
87.00897	1.5
89.02466	7.0
95.01398	1.6
98.21884	2.6
98.97163	1.1
101.02441	6.4
109.03036	1.4
113.02455	3.9
115.74240	1.0
117.03490	2.5
119.01410	1.2
119.03552	2.2
119.05070	1.2
121.02969	1.5
124.79778	1.0
132.02167	15.6
132.20479	1.1
133.02983	2.3
134.03757	46.8
135.00919	2.7
135.04498	1.5
149.02510	2.4
149.06076	5.7
151.00450	1.9
160.01674	77.3
161.02190	2.6
163.00369	8.9
164.04837	3.6
165.07736	5.5
171.04549	2.2
173.06108	1.9
175.00468	3.7
175.04016	100.0
176.04544	6.0
178.02597	1.7
182.03671	1.4
183.04581	3.5
183.23677	1.2
185.02438	1.5
187.04053	4.8
190.02690	10.2
191.07126	6.3
193.05070	68.4
194.05409	2.1
199.04066	3.9
203.03476	2.4
205.05067	11.9
207.06706	3.0
209.04681	1.3
210.03275	1.4
211.04002	7.8
213.01967	4.4
223.06085	4.3
226.02730	2.1
227.03519	22.1
229.01445	2.9
231.02943	5.7
235.06110	16.0
243.02960	1.6
255.03017	23.5
265.07251	4.0
271.02496	4.3
281.00986	2.5
282.01938	1.4
283.02341	7.5
284.03165	2.4
295.08353	5.1
299.02011	45.6
299.05020	1.6
300.02286	1.9
309.11975	1.6
327.12997	1.5
383.39441	1.2
503.12076	5.9
503.17874	96.8
504.18521	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	503.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08537	0.9
57.03431	1.5
59.01387	18.0
61.98844	1.1
65.00326	1.1
67.09291	0.8
69.71711	2.7
71.01388	10.5
71.51573	0.9
73.02939	2.5
83.01395	1.4
85.02947	3.8
87.00881	1.4
89.02452	6.8
91.01880	1.9
93.03468	1.6
95.01390	1.0
101.02454	6.0
103.04027	1.2
113.02477	2.8
116.92883	0.9
117.03431	1.0
119.01431	5.5
119.03502	2.6
121.02974	4.2
125.02454	1.6
134.03719	1.2
135.00873	2.1
135.04549	2.0
135.06622	2.9
147.00899	5.6
147.04527	1.3
149.02464	25.9
152.01062	1.1
161.02457	1.4
163.00374	3.0
163.04004	3.7
164.04799	27.0
165.01942	1.2
165.05447	1.4
175.00371	35.3
176.00752	1.9
179.07150	2.9
180.59677	1.0
183.04501	0.9
187.04076	0.9
189.02011	1.5
190.02733	91.1
191.03389	5.3
205.05070	100.0
206.05536	6.0
208.03827	2.7
209.04485	1.4
211.04066	2.1
221.08142	3.0
223.06122	47.9
224.06480	1.5
227.03525	6.3
231.02943	1.6
232.03508	0.9
232.90137	0.9
237.07727	0.9
255.02966	6.7
265.07184	7.7
283.02332	4.3
284.03223	1.5
291.39474	0.8
295.08142	1.1
299.01990	12.5
299.05234	1.2
325.09283	2.1
367.10446	1.2
503.17767	94.5
504.18286	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	503.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.6
58.77894	2.5
59.01385	100.0
61.98844	5.3
67.34997	2.6
68.68948	2.5
69.23228	4.5
69.23634	9.0
71.01385	65.0
72.99315	5.3
73.02962	6.1
75.00884	5.2
78.95920	6.9
83.01397	2.9
85.02952	24.1
87.00877	18.9
89.02452	68.4
95.01408	5.8
96.96027	5.6
96.96975	6.5
99.00900	10.5
101.02455	44.2
113.02460	41.9
119.03522	11.3
125.02438	4.4
130.62773	2.7
131.03540	6.1
135.04637	3.4
138.03224	4.0
143.03505	7.3
149.04575	3.4
153.05568	20.4
161.02483	7.1
161.04552	12.5
171.63339	2.8
175.02486	8.3
179.05624	70.8
188.08917	2.8
217.00346	5.9
221.04724	4.6
221.06668	35.7
323.09903	5.7
329.08807	30.0
341.10910	3.3
503.16290	43.3
527.84979	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43998	0.4
57.03448	2.4
59.01384	3.9
62.40583	0.4
69.09950	3.4
71.05037	1.1
71.11231	0.4
83.05044	1.6
85.02960	9.4
85.06597	77.1
86.06936	1.2
87.04521	14.6
89.99886	0.4
95.05036	1.0
97.06616	1.4
98.22716	0.8
99.00868	1.0
101.06068	0.7
105.07110	1.0
109.06575	1.0
110.94141	1.0
111.04562	1.6
112.93831	1.2
113.06101	100.0
114.06438	1.9
115.04023	85.9
115.07658	0.9
115.78777	0.4
116.04357	1.4
121.06573	0.9
124.01680	1.2
125.02493	0.8
129.05618	1.7
135.08211	2.1
137.09740	0.8
139.04030	27.6
140.04344	0.8
147.08171	1.3
153.05588	0.6
157.05084	9.7
175.06140	8.3
185.13368	0.6
187.11320	0.8
189.12907	0.9
201.12946	1.0
203.14429	2.0
206.91948	0.5
213.07697	0.8
213.16502	0.8
215.14534	0.6
219.13896	2.5
221.15561	0.5
229.15993	0.5
239.14410	0.9
245.15413	0.8
255.17557	7.3
273.18631	7.6
274.19067	0.5
276.13571	0.5
283.17172	0.8
289.14514	2.0
291.19681	4.7
299.16464	4.2
301.18082	0.7
317.17520	3.1
327.15945	1.0
345.17072	21.8
346.17465	1.7
387.18134	0.6
431.24600	3.0
503.22919	41.6
504.23218	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Foliasalacioside C
Peak:m/z	Relative Intensity
55.01875	0.7
56.26392	0.4
56.27052	0.5
57.03452	3.7
59.01385	17.0
68.99847	0.5
69.03463	0.8
69.33979	1.5
69.34386	1.2
71.01387	21.1
72.01692	0.5
72.99320	7.6
73.02958	2.5
75.00879	26.4
83.01413	1.2
85.02956	22.6
87.00885	8.3
89.02466	3.5
95.01414	2.6
96.96046	0.7
97.06589	0.6
99.00889	5.2
101.02457	1.7
102.30873	0.5
103.00382	1.8
111.00906	1.0
113.02462	19.7
115.00391	1.5
115.04021	0.6
116.01183	3.2
117.01945	1.1
119.04992	0.8
119.10494	0.5
125.09731	0.7
129.01933	1.5
135.04546	0.6
157.01457	1.5
162.77815	0.5
171.10249	0.6
175.02512	4.6
183.13919	1.0
185.11852	1.2
192.61908	0.5
193.12302	0.6
197.11928	0.7
211.13420	10.1
213.14940	0.5
221.11812	0.9
229.14474	1.1
239.12930	1.1
257.04544	0.8
291.19714	1.5
327.21790	8.9
328.21906	0.5
385.22528	0.5
432.21237	0.6
485.23911	1.5
503.25067	100.0
504.25412	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94988	0.6
55.01876	1.4
56.15705	0.7
57.03453	3.7
59.01382	13.9
63.02413	1.5
65.00330	1.4
68.61543	0.8
68.99828	0.9
71.01389	16.5
72.99306	5.7
73.02959	1.6
75.00879	24.3
83.01384	1.1
85.02958	20.7
87.00886	7.9
89.02470	1.8
95.01399	2.6
97.02956	0.9
97.06624	1.1
99.00887	5.1
101.02470	2.3
103.00393	1.1
107.01361	1.0
107.66512	0.7
111.00883	1.4
113.02466	17.0
115.00378	1.3
116.01156	2.5
117.01953	1.3
119.05049	1.3
129.01955	1.7
143.76741	0.8
155.10776	1.5
157.01480	2.0
167.10910	1.1
171.10291	2.6
175.02530	4.2
180.05849	0.9
181.08284	0.9
183.14037	1.0
209.06096	1.4
209.11862	0.9
210.06487	1.3
211.06676	2.0
211.13411	8.1
217.10789	0.9
220.95999	0.8
229.14445	8.5
235.71227	0.8
253.05055	18.9
254.05440	16.0
254.08171	1.0
255.05632	15.2
257.04428	1.5
283.02481	1.3
291.19641	1.9
295.06207	0.9
309.20779	1.3
327.21750	10.4
328.22498	0.8
354.93689	1.0
407.29407	0.9
419.07935	2.0
441.25140	1.2
448.05658	0.8
457.11575	1.2
458.12067	0.9
459.12057	23.5
460.11954	1.5
485.23926	2.8
503.25107	100.0
503.33511	10.6
504.25476	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	504.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00356	0.4
65.99878	1.1
69.14019	1.7
73.00848	0.3
73.18568	0.3
89.00366	0.6
116.01463	0.4
124.01959	0.3
128.01408	0.5
140.01511	0.5
144.00989	0.7
156.00998	0.6
157.01721	0.5
160.00522	0.5
168.00938	1.3
169.22617	0.3
171.04524	0.4
172.00435	0.9
180.01004	0.4
184.00461	1.1
185.01245	0.4
190.06755	0.4
194.06152	0.3
196.00394	1.3
199.99959	1.1
201.00632	0.5
206.06186	0.4
211.99899	5.7
213.00645	0.4
216.08089	0.3
218.06218	1.2
222.05731	0.4
223.99911	6.3
225.00702	0.6
226.01616	0.6
227.99464	0.7
234.05650	1.2
236.07118	0.3
239.99451	1.5
241.00256	1.0
242.06122	0.4
244.07841	0.4
246.05681	0.7
251.99390	5.2
253.00143	2.5
258.05652	1.1
260.07233	0.7
262.05011	1.4
264.06747	0.4
267.98911	1.4
270.00519	0.9
270.05441	0.3
274.05157	0.3
284.07230	0.5
285.04102	0.3
286.05164	1.1
288.06757	0.5
290.04660	3.3
295.98389	31.4
296.98718	1.3
300.06696	0.6
302.04678	1.0
304.06265	1.2
308.99313	1.0
314.04697	0.8
316.06253	0.9
328.06204	1.3
330.04199	1.4
332.05591	0.5
344.05701	0.8
356.05701	1.2
357.02698	0.6
358.03598	12.7
359.03995	1.0
372.05115	1.2
400.04645	100.0
401.04993	7.3
462.09589	0.5
476.11630	0.4
504.10941	75.6
505.11322	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	504.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72936	0.5
65.00347	0.5
65.65154	0.4
65.99869	1.0
67.71715	0.4
68.99838	0.7
70.63611	0.7
75.55842	0.4
89.97726	0.5
106.46413	0.4
144.00951	0.6
146.02429	0.5
148.87415	0.4
158.02473	1.0
160.00482	0.6
168.00925	1.1
170.02583	0.7
171.04567	0.9
172.00485	0.8
174.01985	0.6
182.02519	0.6
186.01900	0.8
189.00870	0.5
196.00444	0.8
198.01929	1.2
199.99957	1.1
202.01524	1.0
211.99910	4.5
213.00772	0.8
214.01477	0.8
215.18230	0.5
223.99881	5.8
225.00748	1.0
226.01564	2.8
239.99240	1.0
241.00186	2.2
244.07716	0.6
251.99409	4.3
253.00076	0.9
254.01047	1.2
257.25806	0.4
260.06995	0.7
265.46664	0.5
267.98938	2.3
270.00476	8.8
272.07288	0.7
276.06754	1.0
278.04587	1.9
279.23328	4.5
288.06696	1.6
295.98380	50.1
296.98776	2.1
298.00034	1.6
300.06662	1.8
302.04694	1.4
304.06180	4.0
308.99197	1.9
316.06262	0.8
328.06171	6.6
329.06427	0.6
332.05591	3.4
344.05573	1.6
356.05750	2.5
357.06412	0.6
359.23547	0.5
372.05154	8.3
382.03558	0.9
384.05048	0.8
385.05978	1.1
398.02924	0.6
400.04642	100.0
401.05038	6.0
402.06216	0.8
413.05612	0.5
447.25095	0.7
476.11475	1.5
486.10141	0.6
504.10947	93.3
505.11359	10.6
505.20654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99865	0.6
71.41853	0.4
72.89375	0.4
73.00845	0.3
75.02274	0.5
86.17326	0.4
92.13542	0.4
100.21057	0.5
116.01463	0.4
128.01453	0.5
140.01434	0.5
144.00954	0.9
145.62801	0.4
156.00951	0.5
168.00954	1.9
172.00447	1.2
180.00929	0.6
184.00391	1.0
196.00423	1.3
199.99951	1.0
200.05461	0.4
209.90945	0.4
211.99922	7.2
223.99915	7.9
226.01605	0.4
227.99379	0.5
239.59471	0.4
239.99422	2.2
251.99371	6.1
253.00034	0.9
267.98926	2.8
268.06134	0.5
270.00412	1.1
278.22110	1.2
288.06812	0.6
295.98386	100.0
296.98746	4.1
301.39133	0.4
304.06418	0.7
308.99222	0.7
328.06027	0.6
344.05777	0.4
358.03644	0.9
372.05084	1.4
400.04651	46.6
401.05167	2.5
504.10959	56.0
505.11267	4.7
505.18100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91258	0.5
59.01373	2.0
71.01383	0.9
74.34452	0.4
79.95737	3.2
85.02956	0.6
92.92191	0.5
93.68042	0.4
96.96024	100.0
121.03014	0.6
127.00392	0.5
128.03534	0.8
129.10352	0.9
133.06996	0.5
134.04724	0.5
143.11745	0.5
145.09868	1.8
152.07347	0.4
153.05624	0.8
157.97745	3.4
167.08249	0.5
183.99292	9.3
191.29764	0.5
192.99355	3.2
197.04620	1.6
199.17279	0.5
208.98805	3.4
213.82762	0.5
225.02025	1.1
228.17155	0.7
233.46352	0.5
237.01910	1.1
239.03537	0.6
241.01463	10.6
266.04562	2.4
266.99295	1.5
284.05627	0.7
292.02640	3.7
310.03616	35.0
311.03934	1.6
387.94592	0.9
406.16550	0.5
504.13602	1.7
504.25430	0.7
504.32153	1.9
505.15543	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	504.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19148	1.2
59.88045	1.0
59.91336	1.0
61.98833	100.0
70.96043	1.3
80.91711	2.2
82.95422	2.1
85.02959	1.3
96.17014	1.3
110.29820	1.3
119.73409	1.2
163.04019	7.9
178.06381	5.0
193.08678	12.5
204.67593	1.2
421.43597	1.3
421.54126	1.4
479.73813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.167
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	2.0
65.99842	5.2
69.14734	7.4
73.02952	2.1
77.82545	1.0
78.76878	1.1
82.02983	1.2
96.00919	2.8
109.01701	3.0
110.02477	1.4
120.00925	1.6
121.01682	2.9
123.03299	4.0
124.04036	3.1
134.02487	3.8
135.03265	4.7
136.00427	11.7
136.04109	1.5
138.01990	1.8
146.02544	1.2
148.04063	1.8
151.02762	2.9
163.99921	10.3
164.03520	6.8
164.66946	1.2
165.00711	8.9
171.04544	2.6
176.03516	3.0
178.01428	1.6
190.01326	1.9
192.03134	7.3
212.07011	1.4
218.04565	3.3
220.02487	2.6
223.99899	2.9
226.05106	2.3
226.08778	4.5
231.78955	1.2
240.06653	5.4
242.08270	35.0
246.04062	4.2
251.99408	1.8
254.08098	3.6
268.06143	29.5
268.09769	8.0
269.06973	5.9
270.07733	92.2
271.08032	2.5
277.21719	3.0
280.09790	5.0
282.07623	3.3
295.98370	21.9
296.09296	49.2
297.09573	4.3
298.10809	4.2
324.08795	100.0
325.08948	4.5
342.09845	85.9
343.10080	4.2
400.04623	17.8
432.00806	1.3
504.11050	19.6
505.11249	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	504.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43207	0.1
59.01389	0.4
60.98664	0.1
69.53905	0.3
78.95909	6.6
83.05044	0.1
96.96971	0.1
98.21935	0.1
108.23663	0.1
112.15978	0.1
116.42960	0.1
118.96761	0.1
152.99586	0.6
168.04340	1.6
171.00615	0.1
184.73187	0.1
198.30356	0.1
224.06947	1.0
242.08003	2.6
243.08511	0.1
261.22324	0.3
277.21829	0.4
279.23303	100.0
280.23651	5.2
295.98544	0.4
400.04843	0.3
504.10846	0.3
504.31000	6.0
505.25113	0.1
505.31378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23599	0.1
59.01395	0.4
59.41972	0.1
62.96421	0.2
78.95911	24.4
83.05008	0.1
91.16557	0.1
96.96976	0.2
97.06647	0.1
99.70852	0.1
102.80304	0.1
104.97478	0.2
122.98529	0.2
130.19118	0.1
134.98526	0.1
152.04875	0.1
152.99614	2.6
161.99989	0.1
168.04332	3.5
172.06131	0.1
194.05971	0.1
224.06947	9.5
225.07283	0.2
242.05490	0.1
242.07990	2.3
261.22272	0.4
277.21817	0.6
279.23306	100.0
280.23648	5.8
295.98431	0.7
400.04675	0.5
415.22501	0.1
504.11209	0.5
504.31009	18.5
505.25058	0.2
505.31427	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03450	2.6
59.01383	14.6
65.00330	0.8
66.12580	0.5
70.65021	0.7
70.65340	0.8
71.01389	11.2
72.99321	1.4
73.02946	1.3
75.00867	4.2
83.01385	1.1
85.02956	21.4
87.00877	3.0
89.02447	1.5
95.01389	8.8
99.00892	7.8
101.02419	1.3
103.00389	2.7
108.02158	1.1
110.00101	1.3
111.00886	1.8
113.02457	39.2
115.00384	1.8
117.01955	3.1
122.03751	1.1
123.04533	1.1
129.01944	2.2
133.02966	7.4
133.58792	0.6
134.03807	3.0
135.04541	1.2
136.98869	0.9
137.02448	1.4
137.06071	0.7
139.00394	1.0
149.06013	1.6
152.01224	0.9
153.01961	0.7
157.01375	0.8
161.02460	7.6
163.00378	6.3
164.01123	1.0
164.98300	3.6
165.99094	1.0
167.03516	1.3
175.02486	8.2
175.03940	1.0
178.02765	1.5
193.05038	5.2
199.04033	7.6
201.01965	1.4
215.03473	1.0
227.03548	4.1
241.77191	0.6
242.02208	0.7
243.02974	3.3
255.03014	2.1
261.03964	0.7
271.02505	10.4
281.00952	0.7
284.75076	0.7
285.03937	0.8
299.01978	34.3
300.02490	2.5
301.03561	4.4
311.07736	1.7
313.03494	2.0
314.04346	100.0
315.04745	4.8
323.07626	1.1
323.72812	0.7
329.06677	97.3
330.07016	4.4
343.15466	2.1
437.09427	0.6
453.12796	0.7
461.14194	0.7
468.58066	0.7
479.81870	0.6
505.13470	2.2
505.26880	1.4
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
57.03439	0.6
59.01383	4.1
65.00332	2.3
67.01904	0.6
68.99837	0.6
69.03455	0.3
71.01384	3.8
72.99310	0.6
73.02947	0.4
75.00889	1.1
79.95744	0.7
82.00626	0.7
83.01390	1.3
85.02958	6.3
87.00894	1.0
89.02428	0.5
93.03483	0.8
95.01399	3.3
96.99296	0.4
99.00892	2.7
103.00397	1.4
104.14177	0.3
107.01393	0.5
108.02213	0.4
110.00105	2.8
111.00890	12.8
112.01275	0.4
113.02458	9.6
117.01968	0.6
117.03493	0.4
119.05079	0.5
120.99334	0.5
121.02960	0.5
123.00915	2.0
123.04563	0.4
125.02434	1.0
129.01953	0.5
132.02199	0.4
133.02963	4.2
134.03745	0.8
135.00879	0.6
135.04523	4.1
136.98805	4.6
137.02470	1.3
137.99593	1.1
138.99310	0.7
139.00380	13.3
141.01982	0.5
145.02986	0.7
149.02437	1.1
151.00389	3.1
152.01192	1.0
153.01836	0.4
153.66151	0.3
159.04567	0.9
161.02539	1.5
163.00429	0.3
163.04015	0.6
164.98302	8.4
165.01967	0.6
165.99068	2.7
166.99887	3.7
167.03503	1.4
171.04503	0.4
173.06090	0.3
175.02484	2.5
175.04059	0.8
177.01959	1.3
178.99844	0.9
180.00636	1.7
181.01421	0.9
181.51878	0.4
183.04535	0.7
185.02501	1.0
185.06201	0.5
187.04021	1.1
189.05669	0.4
190.99823	0.3
192.00674	1.5
193.01425	1.1
193.05222	0.4
195.04588	0.5
199.04021	0.7
200.04691	0.4
201.01988	0.6
201.05579	0.7
205.01553	0.4
211.04034	2.0
213.01941	0.4
213.05556	0.4
214.02765	0.4
215.03461	1.4
222.07774	0.3
222.73283	0.3
227.03510	1.4
229.04941	0.6
230.99333	0.8
235.98976	0.8
239.03452	2.0
241.01468	0.7
242.02043	0.4
253.92964	0.3
255.03021	1.8
256.03629	0.4
257.04648	0.5
258.01602	0.6
261.04111	0.7
271.02536	3.0
273.04050	0.5
278.75446	0.3
283.02481	1.5
285.04123	0.6
297.04028	0.4
298.98477	0.6
299.01996	21.0
300.02731	5.1
301.03555	100.0
302.03928	5.1
313.03586	0.7
314.04337	9.7
315.04807	1.4
315.49146	0.3
315.52917	0.4
329.06680	35.1
330.06964	2.2
337.09415	0.4
343.15659	1.6
371.07434	0.4
394.94717	0.3
445.08191	0.5
489.47952	0.3
505.09781	9.6
505.26718	1.2
506.10403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29604	1.8
57.03437	1.7
59.01392	9.1
60.98760	1.6
65.00307	1.9
65.25231	1.6
70.04971	4.9
70.05341	2.4
71.01365	9.5
75.00883	3.9
85.02963	14.4
87.00858	2.2
88.47786	1.5
95.01412	2.4
99.00891	6.5
103.00361	2.4
113.02453	30.2
129.01866	1.6
133.02946	6.4
136.98834	6.1
164.98297	15.9
165.99040	2.2
175.02509	4.7
180.00630	4.0
181.01556	1.8
199.04016	2.0
227.03502	2.5
230.99471	1.8
271.02515	4.7
299.01996	57.9
300.02313	2.7
314.04358	24.2
315.04837	2.1
329.06683	100.0
330.06851	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
59.35662	0.3
62.94738	0.4
63.02418	0.8
65.00333	1.8
68.62206	0.4
69.41188	1.5
71.01391	0.7
83.01375	0.8
91.01904	0.6
93.03481	0.5
107.01408	2.6
108.02197	1.7
109.02963	1.5
119.05077	0.5
121.02168	0.4
121.02924	2.1
124.01690	0.5
135.00897	1.1
148.01677	2.3
150.99190	0.6
151.00386	10.9
163.00357	2.6
164.01163	1.0
165.99121	0.6
173.06071	0.4
175.04085	0.8
175.72308	0.4
178.99879	4.7
187.03975	0.7
193.01337	0.6
199.04053	1.1
201.05557	0.7
203.03529	0.6
211.04012	1.6
215.03514	0.9
216.04266	0.6
226.02705	2.0
227.03543	4.2
229.05035	1.2
243.02998	12.7
245.04512	1.3
254.02271	2.4
255.03003	28.7
256.03342	1.6
257.04605	0.7
271.02505	66.8
272.03085	3.7
273.04074	0.9
277.78238	0.4
283.02704	1.0
286.04819	1.1
299.01984	1.2
300.02780	100.0
301.03528	45.8
302.03851	1.4
416.67108	0.5
445.07901	0.6
463.08878	4.2
505.09940	65.9
506.10233	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0991
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
53.38454	0.2
59.01373	1.3
65.00313	0.9
69.03450	0.4
71.01368	0.8
75.00864	0.4
79.35471	0.3
85.02954	2.2
87.00861	0.9
88.54778	0.3
92.99825	0.3
95.01384	0.6
97.02943	0.3
99.00866	0.9
111.00893	0.5
113.02470	2.5
124.01648	0.5
133.02945	2.2
134.39938	0.3
135.00888	0.4
135.04532	0.5
136.98811	2.6
139.00377	0.9
141.01939	0.4
149.99590	0.4
151.00377	0.6
152.01167	1.4
163.00359	0.5
164.98306	5.2
167.03537	0.6
171.04601	0.4
173.06073	0.2
175.02481	0.4
177.01985	0.3
177.99065	0.2
178.99870	0.4
180.00659	1.3
183.04628	0.3
199.04010	4.4
200.04440	0.3
201.02008	1.5
205.01453	0.6
209.01576	0.3
211.04128	0.3
212.91718	0.3
227.03523	2.2
229.01762	0.4
239.03548	0.3
243.03087	1.4
255.02985	0.4
255.06374	0.4
256.06818	0.4
257.07080	0.4
267.03058	0.7
267.06213	0.3
268.03784	1.3
269.04465	0.8
271.02512	11.4
272.02710	0.4
282.05380	0.4
285.04059	2.4
296.03247	1.3
297.03659	0.4
299.01987	60.7
300.02396	3.6
313.03574	3.4
314.04333	29.1
314.08105	0.7
315.04657	2.0
329.06677	100.0
330.07016	6.9
426.80933	0.3
435.06540	0.4
445.11111	0.5
461.13785	1.0
505.10342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	5.1
60.99311	9.2
69.22625	5.7
71.01377	1.6
79.66154	0.9
84.20008	0.9
88.98816	60.0
98.21841	1.5
101.02467	1.1
109.02969	7.8
123.04532	1.1
133.02959	17.4
145.06564	1.3
149.06081	1.5
151.04080	1.4
173.06079	2.2
175.03987	1.1
177.01936	2.5
189.05446	1.5
191.07109	4.9
193.05084	1.1
217.05052	6.1
227.03319	1.1
229.04971	1.5
241.16336	0.8
245.53650	0.9
255.10248	2.5
257.04623	1.1
281.08200	3.2
283.09772	2.2
297.07523	1.3
298.04758	1.3
299.09265	3.6
309.07608	7.8
327.08752	32.7
328.09100	1.8
343.11935	1.3
353.10260	3.9
371.11407	100.0
372.11819	6.2
436.79089	1.0
505.09433	1.0
526.08582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59586	0.9
63.93589	0.8
67.21655	0.6
87.04515	1.7
115.03973	1.3
121.02968	100.0
122.03315	1.3
137.95467	0.8
150.06863	1.6
150.89529	0.9
162.06863	3.5
177.09229	1.1
178.87921	0.7
181.06581	3.1
197.06064	2.8
207.04631	1.3
217.71645	0.7
225.05516	2.5
313.07175	5.7
327.21747	2.5
351.47565	0.8
352.68408	0.7
357.06534	0.9
376.28519	0.8
417.09845	9.3
433.64838	0.9
487.30606	1.3
505.11322	8.3
505.31833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01371	4.3
60.32253	1.1
67.67256	1.3
70.97603	1.2
71.01387	3.9
75.59663	1.2
81.03467	4.7
83.01398	5.3
85.02502	1.3
85.02959	5.4
93.03458	1.7
95.01401	1.7
95.05064	7.0
97.02967	4.0
98.22636	2.9
99.04513	2.7
101.02554	1.3
109.03005	1.3
111.04517	2.8
113.02479	6.5
123.04535	19.4
125.02452	18.3
137.02443	4.3
137.06093	6.8
139.04018	3.3
149.06113	1.7
151.00369	1.3
151.04005	3.2
153.05595	1.6
155.03497	3.1
165.05539	2.8
167.03508	61.9
179.03502	19.4
180.04265	1.6
181.05063	2.8
191.03505	1.9
193.03506	4.5
193.05077	3.0
197.04509	9.0
207.03000	2.7
209.04561	38.9
221.04488	7.9
223.06058	2.5
233.04478	2.5
239.05612	100.0
240.05980	4.9
251.05640	10.8
269.06564	2.9
275.05627	5.9
281.06830	2.5
281.13620	1.2
293.06683	7.4
311.07745	11.6
322.81335	1.2
329.08734	4.1
343.06650	1.3
385.07877	5.6
398.66705	1.2
405.42319	1.9
415.08789	28.0
416.08969	1.5
427.09113	2.0
469.10092	1.9
487.10782	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	505.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
59.01388	17.0
71.01388	11.7
73.02945	3.1
75.00852	2.5
81.58423	1.5
85.02956	16.0
87.00927	1.6
89.02466	2.3
95.01392	4.4
99.00878	5.1
101.02446	2.8
103.00387	3.3
105.54251	1.6
108.02174	35.1
113.02467	23.1
115.00359	2.6
117.03468	4.8
119.05051	8.2
122.02472	3.4
123.04528	17.1
132.02211	8.9
133.02960	2.3
134.03743	8.8
135.04492	2.7
145.02980	4.7
149.06125	2.5
152.01166	72.6
153.01602	1.8
159.04503	1.8
160.01668	37.6
160.05347	3.6
161.02434	9.0
163.04004	1.8
165.99095	2.0
166.02745	3.3
167.03508	100.0
168.03889	2.4
171.04536	35.4
174.09096	1.5
175.02486	4.0
175.03992	39.4
175.07555	2.1
176.04478	1.6
178.02625	2.2
178.06349	1.7
178.99898	4.2
179.03528	2.1
180.97813	1.5
181.01352	2.4
193.05107	7.8
197.04588	2.8
199.04054	7.0
215.03473	3.6
217.05046	3.7
227.03514	18.5
228.03917	1.8
229.32863	1.8
255.03032	3.6
271.02472	7.8
299.02005	54.3
300.02405	3.0
301.07123	6.0
313.03549	1.7
314.04346	70.9
315.04645	3.5
323.07672	10.6
329.06680	96.6
329.13736	6.0
330.06927	4.3
337.09308	48.8
338.09717	1.7
462.41907	1.8
487.90036	1.8
505.13205	4.6
505.26749	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	505.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77937	0.5
59.01391	3.4
65.00330	4.3
68.58698	0.5
69.86919	1.2
73.02950	0.6
79.97647	0.5
82.00625	2.4
93.03466	3.7
96.99331	1.1
110.00108	14.6
111.00863	1.3
116.24893	0.6
119.05040	22.4
120.05379	0.8
123.00875	1.3
124.01655	1.9
136.98808	3.4
137.02423	3.4
137.99591	4.5
139.00365	3.2
145.02957	1.0
152.01141	2.3
163.78178	0.6
164.98315	11.7
165.99092	25.1
166.99890	7.2
178.99905	1.2
180.00656	4.6
181.01456	7.7
192.00699	1.6
207.02908	1.0
230.05901	1.2
257.04517	1.2
258.05359	0.6
266.84747	0.6
285.04071	10.0
286.04852	35.5
287.05295	1.7
301.07190	100.0
302.07529	6.5
343.08374	3.2
490.11450	0.8
505.13013	3.1
505.25455	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01386	54.2
61.98840	4.3
64.05489	1.4
65.00340	4.3
69.48322	1.5
70.00304	3.6
70.00628	1.4
70.18852	1.5
71.01388	14.2
72.85227	1.6
73.02955	6.8
83.01395	5.2
85.02975	6.6
89.02464	7.0
93.03475	8.0
95.01414	2.7
97.06602	2.4
98.20667	1.5
99.00883	2.6
101.02464	8.0
110.00116	15.5
113.02475	5.5
116.92896	6.0
117.03506	2.1
119.03628	2.4
119.05041	33.8
119.05830	2.9
123.00925	2.0
124.01707	2.3
125.02525	1.8
132.02167	1.7
133.03004	1.7
134.03787	5.2
135.04568	4.5
136.98810	8.7
137.02483	9.4
137.99638	4.2
139.00395	5.0
149.02464	5.2
152.01164	4.7
160.01747	3.1
164.98323	18.5
165.99081	27.4
166.99879	6.8
167.03563	6.4
175.00385	2.1
175.04062	7.2
179.03574	3.7
180.00681	4.3
181.01476	10.8
185.06056	1.8
191.03513	34.8
192.00824	1.8
193.05089	1.8
204.31459	1.7
233.04515	11.2
237.70648	1.9
239.05692	2.5
249.11444	1.9
257.04507	2.0
269.01035	1.7
276.58481	1.8
283.19467	1.7
284.03131	2.3
285.04065	14.5
286.04822	40.5
287.05325	3.4
298.01233	2.4
300.02802	3.9
301.07196	100.0
302.07568	6.4
303.21707	2.4
311.07849	2.9
312.02905	2.2
313.03629	6.4
313.14407	7.8
325.14316	2.1
327.05240	4.5
328.05890	9.1
337.09476	5.1
343.04568	2.3
343.08206	9.2
343.15610	6.8
343.21222	1.8
441.76801	1.7
445.24451	3.8
453.03467	2.0
463.25772	2.5
490.11234	2.6
505.13593	25.6
505.20703	8.4
505.26831	54.4
506.26910	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.2
58.23397	0.7
59.01085	1.0
59.01379	11.8
61.98824	1.7
68.99821	0.9
70.23850	0.7
71.01389	8.1
71.41779	0.8
73.02940	1.9
78.01128	1.2
79.95722	1.1
81.03468	1.4
81.99908	0.8
82.07998	0.8
83.01395	3.5
85.02958	4.6
87.00856	2.1
88.98830	1.8
89.02477	1.1
91.01874	1.3
95.01401	1.9
96.96021	2.6
99.00880	1.2
101.02434	11.7
106.00645	1.4
107.01440	0.8
107.16979	0.7
108.02153	0.9
109.02986	1.4
111.00898	2.2
113.02463	2.9
113.40685	0.8
116.15111	0.8
121.02966	30.9
123.00903	4.6
123.04517	1.3
125.02489	1.6
127.00362	2.1
136.98784	2.0
137.02429	7.6
138.03217	6.6
139.00386	1.9
139.04013	2.3
141.01939	1.0
152.01228	1.1
153.01936	1.3
153.05588	34.6
154.05872	1.2
155.03506	1.1
161.02432	0.9
162.03242	1.5
163.03696	0.8
163.06125	8.1
166.99843	2.0
167.03477	6.7
177.05565	2.1
178.05971	1.0
181.01375	4.0
181.05075	1.1
182.02216	8.2
183.02988	3.4
196.03784	1.6
197.04561	90.9
198.04904	2.7
209.04552	1.6
211.06189	1.1
224.03276	1.0
225.04060	5.5
239.05600	3.7
265.07428	1.0
269.06754	1.0
281.06744	1.5
285.06137	2.8
299.07690	0.9
303.20062	0.8
341.08856	3.0
347.45996	0.8
490.13168	1.6
505.15643	100.0
506.15955	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	505.1567
Annotation	CHEBI:69792
Peak:m/z	Relative Intensity
54.86842	0.6
59.01385	9.9
62.77301	0.5
68.06214	0.5
69.14791	1.8
69.15202	1.6
71.01392	5.5
72.99333	0.8
73.02953	1.4
85.02960	1.7
87.00899	0.8
89.02451	5.3
95.01373	0.8
96.96026	1.4
97.02956	0.8
98.21910	0.9
101.02460	4.4
105.03456	0.7
106.80595	0.6
109.98081	0.6
112.04812	0.5
113.02431	2.7
117.03477	1.3
119.03513	1.1
121.03011	0.6
123.04509	1.9
132.02182	2.1
133.02974	31.3
134.03676	0.7
135.04549	16.1
136.04904	0.5
137.02438	0.6
149.06133	0.8
152.01186	1.0
153.05650	0.9
161.02461	100.0
162.02798	3.1
163.06203	0.8
166.02808	0.7
167.03514	4.7
174.25438	0.5
177.05547	2.0
179.03496	12.3
179.05804	0.6
181.05125	0.9
181.07175	1.6
193.03494	0.8
197.04568	1.3
209.04541	1.0
221.04616	2.3
251.88466	0.6
281.06625	2.3
311.08041	0.6
343.12668	1.2
385.10458	0.8
406.90161	0.7
417.73526	0.6
468.40564	0.5
505.15723	82.8
506.16147	6.1
533.30939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.3
65.00338	1.6
69.19482	4.6
71.01391	6.1
73.02963	3.6
82.15170	0.8
83.01388	1.8
85.02956	2.3
89.02463	3.3
91.01911	1.3
93.03461	1.3
98.21848	1.3
101.02451	3.7
105.40446	0.8
107.01442	1.5
110.00113	1.0
113.02461	1.9
119.01404	5.0
119.03495	0.8
119.05037	4.5
121.02991	3.0
124.61758	0.9
134.03799	4.2
135.04532	3.0
137.02458	1.7
137.06129	1.0
140.69315	0.9
145.02864	1.0
147.00896	6.4
147.04518	1.0
149.02467	18.2
149.06131	2.3
150.03232	2.5
151.00392	5.8
163.03990	3.5
164.01155	1.4
164.04828	17.1
165.01978	1.9
165.05588	1.0
175.00377	32.4
176.01166	5.5
177.01892	1.0
177.05504	1.1
179.07153	2.4
185.06200	1.0
190.02739	82.4
191.03506	11.4
192.04234	1.9
193.01479	1.9
194.02187	1.3
205.05077	78.6
206.05606	3.3
208.03729	1.0
209.04602	3.7
221.08281	1.3
223.06158	19.9
224.06314	0.9
251.05650	2.5
253.12602	1.1
265.07211	4.1
281.06613	1.6
283.17068	3.7
286.04810	3.0
301.03912	1.6
301.07230	17.6
302.07480	1.4
311.07782	3.4
325.09390	1.0
377.11569	1.0
437.25427	1.0
458.23755	0.9
475.12796	0.9
490.14880	2.1
505.17194	100.0
505.24670	25.5
506.17474	7.5
506.24142	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01726	1.2
61.98831	0.8
70.38379	0.7
70.71140	0.6
71.01408	0.8
73.02888	0.8
78.95952	0.7
83.01437	0.8
84.05540	0.7
84.33869	0.7
88.98814	1.8
101.06092	3.4
117.03521	0.9
117.08256	0.8
119.05045	0.8
121.02973	35.1
124.77987	0.8
135.04552	1.2
139.56143	0.7
151.00349	0.7
175.04047	1.0
241.08678	1.2
289.56927	0.7
343.15601	1.1
360.40109	0.7
481.65503	0.8
505.09344	1.0
505.24292	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	505.209
Annotation	7-(10'-Hydroxygeranyl)scopoletin 10'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.14489	0.7
59.01385	14.2
61.42668	0.7
61.98831	1.8
62.74672	0.6
69.03443	0.8
71.01393	6.2
72.99315	1.0
73.02951	1.1
75.00873	3.1
77.25789	0.7
78.95910	1.0
85.02956	3.8
87.00863	1.1
88.98811	1.1
89.02457	3.2
91.34517	0.7
93.03480	1.0
95.01382	1.0
95.62080	0.8
99.00892	0.8
101.02444	2.1
111.00928	0.7
113.02469	4.3
117.03493	1.2
119.05077	1.2
135.04524	1.3
137.02431	0.9
151.04036	0.8
161.04536	0.9
171.10312	1.4
175.02457	0.8
181.83290	0.7
187.07631	1.1
211.13443	1.5
217.05141	1.0
229.14511	1.2
229.80522	0.8
231.06569	0.9
236.81955	0.8
245.08473	0.7
269.08624	0.7
295.09686	3.6
297.11441	4.1
297.14334	0.8
309.11389	3.1
310.12128	2.4
311.13013	3.7
312.13596	1.3
325.10785	1.4
325.14496	24.4
326.14761	2.9
327.16058	45.0
328.12912	0.8
328.16409	3.8
328.19736	0.9
329.23322	1.4
343.15524	1.8
351.08087	0.7
426.75775	0.8
505.20740	100.0
505.26657	9.0
506.21185	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	505.2138
Annotation	Asperphenamate
Peak:m/z	Relative Intensity
60.58652	0.6
62.05862	0.6
69.99291	2.1
75.47941	0.6
87.04514	2.2
91.05544	21.7
92.05047	1.0
102.03497	1.1
103.21912	0.8
115.04051	1.3
120.04569	26.2
121.04886	0.8
132.04593	4.4
133.05336	1.4
135.04536	1.4
147.04541	5.1
195.08031	0.9
204.09200	0.7
224.10834	20.7
254.11710	0.7
268.09808	100.0
269.10126	5.0
269.20557	0.7
274.19904	0.7
277.21768	3.3
384.59894	0.7
474.61035	0.6
505.25311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06752	1.2
56.50827	1.4
58.14295	1.3
59.01387	11.2
61.94017	1.3
69.17012	8.1
72.06763	1.5
78.95919	12.2
85.63059	1.4
87.04524	58.2
96.96025	5.5
97.02955	8.0
101.06098	8.0
112.51836	1.5
113.06108	6.2
115.04030	30.8
115.07674	6.6
132.44299	1.6
143.07158	3.1
152.99611	15.6
163.07663	4.5
190.82611	1.4
196.28813	1.4
245.04272	2.8
265.14871	4.7
271.16907	1.4
273.14957	8.2
277.21750	100.0
278.22079	3.3
417.22733	1.7
423.13455	2.4
505.25845	23.4
506.25797	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38358	1.2
59.01385	13.5
60.30931	1.2
70.03805	4.1
78.95907	2.4
87.04523	100.0
95.19109	1.2
96.96010	3.1
97.02959	12.4
98.32498	1.3
101.06076	9.8
113.06107	7.8
115.04021	54.8
115.07687	6.8
143.07187	2.6
146.62306	1.3
152.99599	3.1
154.42592	1.2
161.79239	1.2
163.07625	4.2
171.06549	2.6
265.14795	2.0
273.14987	8.3
277.21802	22.1
279.23291	3.0
280.23602	4.2
284.92847	1.3
336.61847	1.6
417.22894	1.9
469.37546	1.5
505.25400	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52126	0.2
57.03453	1.1
58.00602	0.4
59.01385	23.2
60.01705	0.3
61.98819	0.4
68.99824	0.3
69.76917	0.6
69.77318	0.5
70.38100	0.3
71.01411	0.8
73.02951	1.2
81.03461	0.6
84.49707	0.3
85.06595	15.4
87.04546	0.3
93.07121	0.5
95.05021	3.3
97.02945	0.8
97.06609	2.3
100.01707	0.8
107.05042	1.2
108.02187	1.6
113.06100	100.0
114.06417	1.6
115.04026	7.5
115.92055	0.5
119.05059	0.9
119.08672	11.3
121.02980	0.8
121.06588	0.9
123.08179	0.8
125.02454	5.8
135.04530	1.0
135.08171	0.5
137.06110	0.4
139.04027	34.4
140.04413	0.6
145.10265	1.4
157.05074	19.1
158.05389	0.4
163.07663	34.5
163.11325	1.3
164.08018	1.0
171.11806	0.4
211.14957	1.1
215.10800	2.0
227.14499	1.4
229.15977	6.4
231.17516	0.4
233.41306	0.3
239.10860	1.1
240.11404	0.3
243.17607	0.8
245.15475	0.9
247.17131	1.6
255.13892	11.0
256.14383	0.5
257.15573	1.4
269.07501	0.3
273.14981	93.7
274.15353	5.8
287.16489	1.9
291.16135	0.6
293.15549	0.4
311.16476	2.3
329.17560	1.5
347.18658	25.8
348.18985	1.2
447.13269	1.0
490.15594	0.3
505.24271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.5
69.16122	6.2
78.95910	14.1
83.05026	1.4
84.10054	1.1
84.35228	1.2
87.04527	5.3
96.96014	2.1
96.96979	1.4
97.03002	1.6
113.02451	10.0
115.04027	79.6
152.99615	19.2
155.03577	2.6
171.00673	2.1
227.03345	2.2
245.04387	3.2
257.19061	2.9
265.14832	2.1
275.20313	1.5
277.21753	100.0
278.22089	3.8
329.17636	2.5
363.87030	1.2
431.90494	1.5
445.22400	17.7
505.25775	27.2
506.26117	2.4
511.40146	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	505.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19297	0.5
58.40559	0.6
59.01385	10.4
62.59889	0.5
69.03432	0.8
69.33388	2.8
71.05017	1.0
73.02951	1.0
87.04524	100.0
88.04841	1.2
97.02962	11.9
98.21915	1.0
101.06092	9.6
112.93837	1.6
113.06100	4.8
115.04027	49.5
115.07654	10.1
116.04378	0.7
119.08677	1.0
120.58691	0.5
125.02460	1.6
143.07156	2.7
163.07675	4.3
163.11206	0.6
171.06648	2.3
185.23444	0.7
255.13979	1.0
273.14987	7.9
293.17841	0.6
327.60577	0.6
417.22870	2.3
476.90118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13055	1.4
59.01385	15.0
62.95095	1.5
67.52974	1.3
69.15829	4.5
69.16242	3.5
73.02938	1.5
73.44103	1.1
78.59617	1.1
87.04524	100.0
88.04868	1.3
97.02959	11.4
97.06538	1.4
101.06085	8.0
113.06093	6.6
115.04025	50.2
115.07693	7.2
121.02927	1.5
125.02434	1.9
143.07126	1.5
163.07655	4.5
171.06602	3.2
198.59261	1.3
248.59326	1.3
273.14908	8.7
301.52451	1.5
317.09378	1.5
335.29816	1.4
338.13150	1.3
417.22562	1.9
445.22034	1.8
471.12994	1.4
472.38177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.1
73.02955	1.5
85.06604	15.9
86.38514	1.3
94.52242	1.2
95.05047	4.9
97.02991	1.2
97.06563	1.6
98.22710	2.0
107.05050	1.7
108.02181	1.3
113.06104	100.0
115.03984	6.1
119.08701	13.3
125.02474	4.8
139.04041	38.8
139.05147	1.7
157.05092	18.7
163.07677	32.5
163.11343	1.3
211.15085	1.4
229.15994	8.4
245.15451	1.4
255.13901	8.9
273.14999	96.8
274.15344	4.1
287.16623	1.9
329.17709	1.8
343.15405	1.9
347.18668	29.5
402.32639	1.3
426.90265	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12212	1.1
59.01373	1.1
65.26588	0.9
68.77596	1.0
69.06079	2.0
69.06482	4.6
70.01640	0.8
71.41936	0.8
78.38499	1.0
78.95911	15.8
96.96991	1.0
147.58063	1.0
152.99602	14.6
171.00681	2.3
184.93613	0.9
224.06975	2.0
227.03328	3.6
233.91183	0.9
238.27440	1.0
245.04317	2.2
272.83554	1.0
277.21756	100.0
278.22021	6.4
279.23328	9.9
280.23672	18.3
295.98425	3.1
400.78845	0.9
401.04898	2.2
505.11316	3.1
505.25467	23.2
505.31204	2.7
506.26132	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2663
Annotation	Foliasalacioside G
Peak:m/z	Relative Intensity
51.16731	0.6
55.01897	0.7
57.03469	0.9
58.00620	0.8
59.01387	73.8
60.43469	0.5
65.00349	1.5
71.01392	19.4
71.41882	0.6
72.99311	0.8
73.02946	3.3
83.01408	1.7
85.02960	4.1
87.00920	1.1
89.02460	15.9
95.01405	1.6
99.00926	0.5
101.02454	12.0
109.06647	0.8
109.76097	0.5
111.08167	4.4
113.02462	7.6
119.03526	6.5
119.04998	0.7
131.03557	1.0
133.02986	0.9
135.04578	0.7
136.98830	1.3
137.02444	0.9
143.03546	0.7
149.04640	0.5
161.04611	1.7
179.05736	2.4
209.11777	0.8
211.04167	0.5
212.61095	0.5
213.11389	1.4
227.03578	0.6
236.74022	0.5
243.03014	0.7
247.17082	0.6
255.03122	0.9
257.21423	0.5
271.02524	1.1
299.01910	0.8
299.99576	0.4
300.02795	11.2
301.03543	12.4
301.06732	1.0
302.04016	0.8
307.19266	1.4
315.04559	0.5
325.14334	1.0
325.20239	7.5
329.06845	0.8
343.15500	0.6
361.16788	0.5
375.23816	0.8
445.24402	1.1
463.25677	1.1
487.25461	4.0
505.10406	12.6
505.26639	100.0
506.10126	1.0
506.26874	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	505.2661
Annotation	Foliasalacioside E2
Peak:m/z	Relative Intensity
55.01876	0.8
57.03454	3.1
59.01384	14.2
63.60907	0.4
69.09930	1.5
69.10354	1.5
71.01386	21.3
71.27464	0.4
72.99311	6.5
73.02951	1.4
73.82441	0.4
74.77602	0.5
75.00878	25.7
82.37881	0.4
83.01395	0.9
84.95107	0.6
85.02958	21.2
87.00888	7.7
89.02453	2.2
95.01396	2.0
98.22627	1.0
98.40770	0.4
99.00888	4.1
99.08172	0.6
101.02436	1.0
103.00374	1.2
105.68723	0.5
111.00882	0.8
111.08130	0.5
113.02460	16.6
113.03294	0.9
115.00356	1.8
116.01158	3.3
116.92870	0.6
117.01945	1.0
119.05042	1.0
125.09719	0.5
129.01944	1.0
129.02849	0.4
129.09200	0.5
157.01445	1.3
171.10291	0.8
175.02441	4.5
183.13936	1.6
185.11899	0.5
193.03537	0.6
202.02737	1.6
204.09438	0.5
211.13428	9.5
212.13654	0.7
229.14384	2.2
231.60216	0.4
235.05957	0.4
271.01709	0.5
293.21204	1.5
311.22266	1.3
312.02692	0.7
327.05142	1.0
329.23328	10.2
343.15341	0.6
443.26682	0.8
487.25595	1.4
488.86349	0.5
505.26587	100.0
506.26852	9.4
514.04163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2658
Annotation	Foliasalacioside E2
Peak:m/z	Relative Intensity
55.01889	0.8
57.03460	2.9
59.01384	9.0
60.80722	0.4
62.40919	0.4
66.24912	0.6
67.01894	0.5
69.03477	0.6
71.01389	17.0
71.42928	0.5
72.99323	5.6
73.02924	1.6
74.02495	0.5
75.00881	24.4
78.49172	0.4
83.01402	0.8
85.02960	19.9
85.03480	1.0
86.03307	0.5
87.00878	7.6
89.02447	1.8
95.01398	2.7
99.00891	4.0
99.08157	0.9
101.02440	0.9
103.00381	1.3
111.00889	1.2
113.02460	17.0
115.00404	1.3
116.01176	2.4
117.01942	1.6
125.09706	0.8
127.11324	0.9
128.90179	1.6
129.01921	1.2
131.03587	0.7
139.00423	0.6
150.46994	0.4
157.01434	1.3
167.14400	0.5
171.10269	2.3
175.02493	3.8
183.13898	1.3
185.11815	0.5
197.11765	0.8
199.13350	0.6
209.11890	0.8
211.13408	11.6
229.14467	8.8
254.62186	0.5
293.21204	1.3
311.22272	1.7
329.23370	12.2
330.23474	0.7
416.85199	0.5
425.53375	0.6
443.26517	1.2
487.18967	0.5
487.25345	2.3
505.26614	100.0
506.26886	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	506.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25518	0.3
65.99836	0.7
68.99809	0.4
69.37343	0.3
78.95895	0.4
80.48557	0.3
99.43971	0.4
104.25934	0.4
106.05505	0.3
114.03492	0.7
118.92074	0.3
130.02971	0.4
142.03014	0.5
143.60863	0.4
146.02460	1.6
155.03752	0.4
157.01555	0.4
158.02516	0.8
159.03273	0.4
161.01205	0.5
170.02527	1.0
171.03244	0.9
171.04526	1.8
174.01938	1.3
175.02757	0.9
182.02379	0.5
183.03287	1.1
184.04103	0.4
185.01180	0.5
186.01991	3.2
187.02759	1.0
198.01971	2.1
199.02757	2.2
202.01465	3.6
211.02742	1.0
213.00670	1.2
213.04387	0.9
214.01500	4.1
215.02226	2.2
220.07648	0.5
226.01501	2.5
227.02277	2.1
228.03023	0.9
230.00943	1.2
232.07628	0.5
236.07013	0.4
238.05095	0.6
239.02296	1.5
240.03168	0.7
242.01009	1.4
243.01741	2.7
246.09323	0.5
248.07126	0.5
252.02982	0.4
254.01141	0.6
255.01672	1.0
256.02512	0.5
258.09177	0.9
260.07153	1.2
262.08832	0.8
264.06653	0.5
267.01489	0.5
268.02374	1.0
270.00485	9.4
271.01221	1.9
276.06650	0.6
279.23303	2.8
281.24887	0.6
283.01303	3.5
284.02087	0.9
286.08859	1.2
288.06650	1.9
289.07355	0.7
290.08292	1.2
292.06119	1.2
296.02151	0.6
297.99872	0.7
301.07028	0.5
302.08389	2.4
304.06256	1.7
305.06598	0.6
306.07892	1.8
307.08725	0.5
310.03799	0.5
311.00870	1.8
312.06693	0.5
314.08221	0.7
315.09018	0.5
317.06937	3.0
318.07681	0.6
326.90302	0.4
328.06152	0.5
329.06873	0.5
330.07813	4.8
331.08109	0.8
332.05734	1.7
334.07227	8.6
335.07416	0.6
345.06262	0.7
346.07263	2.2
347.08051	0.6
356.05673	0.6
358.07172	3.6
359.08099	2.3
371.07944	0.7
374.06744	13.7
375.07452	2.1
384.05139	0.4
387.07504	4.1
388.08066	1.4
396.12476	0.5
402.06201	10.9
403.06711	1.0
415.06842	2.8
434.14063	0.8
438.13528	1.9
462.13504	1.6
464.11453	1.5
478.12891	1.6
488.11319	0.6
506.12469	100.0
507.12811	9.6
507.27267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.5
69.29806	0.8
69.30206	1.4
98.21890	0.8
101.88938	0.4
106.02982	0.9
112.37393	0.3
120.00904	0.5
134.02464	1.0
136.42407	0.3
145.06624	0.3
146.02502	0.5
146.88943	0.3
149.01157	0.8
150.01921	0.7
158.02472	0.3
170.02464	1.0
171.03281	0.6
173.68423	0.3
174.01953	0.4
175.02686	0.7
176.03488	0.3
177.00703	2.0
178.01457	7.2
178.78604	0.3
183.03128	0.4
186.02002	1.5
198.01974	1.6
199.02766	1.5
202.01506	1.8
211.02797	0.7
212.03546	0.7
213.00636	0.4
214.01482	1.5
215.02196	1.3
226.01436	1.6
227.02286	1.9
227.99443	0.4
228.02901	0.7
230.01035	0.5
236.07227	0.5
237.05663	1.6
237.07724	0.4
238.05020	0.4
239.02319	0.5
240.03029	0.5
242.00761	0.8
243.01614	2.3
248.07042	0.7
252.06586	0.9
254.00911	0.5
255.01755	1.6
255.06665	1.8
256.02509	0.5
258.09311	1.0
260.07123	1.6
262.08804	0.6
264.06659	1.4
266.04614	0.4
267.01675	0.8
268.02509	1.0
268.06116	0.8
270.00455	5.2
271.01086	0.8
274.08820	0.4
276.06738	0.5
278.08362	0.4
280.06125	0.5
283.01172	2.9
284.01923	1.0
285.02850	0.5
286.08847	1.3
288.06668	1.7
290.08200	1.5
292.06100	1.4
294.00583	1.4
296.01959	1.3
297.99777	1.3
300.06845	0.6
301.07471	0.5
302.08154	2.5
304.06168	1.0
305.06665	0.5
306.07715	1.1
311.00720	7.3
314.08325	0.6
316.06134	1.2
317.06601	0.8
318.07559	1.0
324.01474	1.2
328.06088	0.5
330.07755	3.4
331.08334	0.7
332.05573	1.5
334.07156	2.0
343.08417	0.5
345.06451	0.5
346.07147	1.5
358.07199	2.6
359.07962	0.7
360.05267	0.9
370.07489	0.4
373.05957	1.1
374.06747	4.6
375.07184	0.5
384.09204	0.7
386.06857	0.6
387.07330	2.8
402.06201	5.3
415.06989	13.4
416.07455	1.0
436.11926	0.8
444.06573	0.4
464.11316	4.2
465.11783	0.7
478.12888	0.8
506.12463	100.0
507.12759	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	506.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.1
61.98838	1.4
63.02146	0.4
67.14597	0.5
69.67154	2.0
71.01389	2.2
78.03506	1.7
78.06493	0.4
78.95909	0.9
83.48643	0.5
87.00895	0.7
89.02452	2.6
96.37233	0.5
98.21961	0.7
101.02451	1.3
113.02467	1.7
113.19010	0.5
122.02499	100.0
123.02828	1.6
130.08760	2.1
143.03523	0.6
161.04614	0.7
165.64577	0.5
179.05609	1.2
193.26930	0.6
341.10938	4.5
383.11935	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	506.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.4
59.26506	1.4
61.98843	6.0
69.03442	2.5
78.03495	1.6
83.05053	1.5
87.04472	1.2
97.02963	33.6
103.26958	1.2
108.04607	1.6
117.03429	1.4
119.05014	2.0
122.02499	100.0
123.02917	2.6
135.04504	2.8
136.04057	54.3
150.05620	21.2
158.13673	1.4
163.07649	1.4
178.05125	20.9
249.14880	1.7
273.15048	4.7
291.58310	1.3
340.00443	1.4
343.15591	2.6
344.15814	5.2
356.70404	1.2
384.36649	1.2
386.20963	1.3
393.16693	1.3
402.37625	1.2
428.61435	1.2
505.69623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.2
60.78654	2.9
61.98823	12.9
71.32552	4.4
78.18616	3.0
78.95956	4.0
85.02979	3.5
87.04539	6.7
104.13316	3.2
113.06110	15.3
115.04025	100.0
119.05048	7.6
119.50185	3.0
122.02502	3.3
135.04546	8.0
139.04060	3.6
140.04350	4.1
162.83916	26.0
211.52745	3.5
241.91096	3.6
273.15024	7.0
274.15274	6.7
277.03406	3.5
334.94244	3.5
401.21863	4.7
435.66965	4.1
469.04184	3.9
507.26343	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37991	1.0
57.03434	2.1
59.01387	4.9
71.01402	2.2
71.41814	1.2
73.02950	1.6
74.11082	1.1
81.03454	8.3
83.01397	4.5
93.03442	1.8
95.05048	3.9
96.96024	1.3
97.02957	3.3
99.04536	5.6
101.02449	1.2
105.03439	1.7
108.02174	4.1
109.02957	60.9
109.63223	1.0
121.02952	9.3
123.00835	2.1
123.04530	2.4
125.01546	1.2
125.02457	18.6
133.03021	1.1
137.02452	23.2
138.03220	1.7
139.04037	2.3
147.04529	2.0
149.02467	14.2
151.00385	1.3
161.02446	3.3
163.00327	1.6
164.01195	4.2
165.01942	35.5
166.02722	8.4
167.03506	68.4
168.03825	1.8
175.03981	6.9
176.01151	2.1
177.01913	6.2
178.80132	1.2
189.05643	1.4
191.03456	2.0
192.00629	2.1
193.01422	29.2
198.03264	1.3
199.04056	7.0
201.02002	1.7
213.05554	2.8
217.01495	1.2
217.05046	10.4
219.02946	2.1
235.06052	2.0
241.05093	11.2
243.02824	2.4
257.04578	3.1
259.06165	6.9
285.00830	1.3
285.04068	34.0
303.05121	100.0
304.05515	3.8
371.09763	13.1
381.08258	2.1
397.07599	2.5
425.67291	1.2
507.11484	28.2
508.11884	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03445	2.7
59.01384	49.8
61.06292	0.6
65.00309	2.7
67.01887	0.9
68.99824	1.1
70.57000	0.7
71.01387	20.0
71.41791	0.9
72.99305	2.5
73.02952	5.7
75.00874	4.1
76.97943	0.7
81.89096	0.6
82.00607	4.2
83.01394	3.7
85.02959	29.7
87.00882	6.7
89.02444	4.9
90.54044	0.7
91.01899	1.0
93.03466	1.9
95.01393	9.0
96.96030	1.6
99.00887	10.1
101.02440	7.2
102.26841	0.7
103.00386	3.4
107.01412	1.0
108.02184	3.0
109.02995	1.4
110.00105	27.4
111.00887	2.7
113.02458	48.0
115.00382	2.0
117.01972	3.8
117.03445	0.7
119.05030	0.9
121.02956	1.6
122.00178	0.8
123.00903	2.3
123.04520	4.8
124.01698	4.5
125.02463	1.5
129.01973	1.5
131.03558	0.9
134.03755	8.6
135.04547	3.6
136.98833	2.9
137.02461	5.0
137.99602	8.3
139.00385	7.6
147.04483	0.8
149.02458	1.0
149.06088	6.7
150.03246	0.9
151.00371	2.9
152.01143	5.5
153.01978	1.4
157.01482	1.1
160.01712	0.8
161.02458	1.6
161.04562	2.6
161.05856	0.8
162.03252	7.9
163.03986	1.3
164.98331	1.9
165.05496	0.7
165.99088	35.6
166.02733	2.7
166.99886	12.0
167.03491	8.8
175.00328	1.1
175.02513	9.8
175.03943	1.6
177.05576	10.3
178.99930	1.4
179.05643	1.1
180.00703	6.4
181.01433	9.2
181.05055	3.0
190.02698	2.1
192.00598	0.9
194.02237	1.2
203.05609	0.9
205.05109	3.9
207.03055	1.3
209.04550	16.0
223.06058	0.9
239.05574	3.7
245.04572	1.1
255.05191	0.8
260.06927	1.3
269.04224	1.1
269.06750	4.2
288.06384	1.7
301.03427	2.6
301.14435	1.0
316.05881	41.0
317.06329	2.4
327.16061	1.1
329.08859	0.8
331.08258	100.0
332.08643	7.5
345.16931	1.7
367.10281	1.0
405.17645	1.1
423.18768	2.2
447.22079	1.6
451.51550	0.8
465.19894	3.1
507.14822	1.0
507.22107	11.9
507.28342	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	507.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
55.31522	0.5
57.03449	3.1
59.01383	15.5
60.91352	0.5
65.00341	2.9
65.00617	0.6
68.99822	1.0
69.64870	1.1
71.01386	11.7
71.01745	1.0
71.51208	0.5
72.99319	1.4
73.02916	0.8
75.00877	5.0
82.00614	6.7
83.01430	0.7
84.02180	0.7
85.02959	24.3
87.00883	2.7
89.02429	1.9
95.01397	9.0
99.00888	9.3
101.02466	0.9
103.00365	3.5
104.37352	0.6
108.02145	1.4
109.03082	0.5
110.00101	26.0
111.00874	2.3
113.02460	42.7
114.02827	0.7
115.00406	1.8
117.01936	2.8
120.99644	0.9
123.00890	1.3
123.04537	1.0
124.01672	3.3
126.85909	0.6
129.01939	1.8
134.03741	8.1
135.04547	3.3
136.98830	2.5
137.02487	1.4
137.99585	9.1
139.00371	6.1
149.06111	7.0
152.01192	3.9
153.02022	0.7
157.01390	0.6
164.98293	2.9
165.99091	38.8
166.99864	12.1
167.03587	0.7
168.00343	0.7
175.02483	10.0
175.03958	0.9
176.02940	0.7
178.99892	2.3
180.00653	7.6
181.01453	7.9
182.01665	0.7
192.00693	1.4
193.01430	0.7
195.06689	1.9
212.59851	0.6
215.03384	0.7
245.04555	0.6
255.03139	0.6
260.06900	2.6
288.06390	1.5
301.03531	2.5
311.07819	2.3
316.05887	44.8
317.06467	2.7
331.08252	100.0
332.08621	5.8
469.82285	0.6
507.11890	1.0
507.27902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
65.00325	2.2
65.99848	1.3
87.00885	100.0
88.01222	1.1
95.01363	1.2
98.21880	1.5
110.00127	1.2
111.00891	3.7
118.11213	0.9
120.74181	0.8
123.00891	1.3
124.01688	6.1
127.77851	0.7
136.01703	1.2
136.98817	3.2
139.00401	4.9
152.01169	6.3
157.06654	0.9
166.99890	3.2
167.05107	1.0
171.04492	1.3
171.08176	1.2
173.06126	1.1
181.06525	1.1
183.04506	1.1
185.06131	1.7
193.01523	1.1
209.06073	2.2
211.22124	0.8
225.05568	4.6
225.31235	0.9
227.07201	2.7
229.05080	1.0
235.06085	4.2
243.04257	1.5
243.06641	24.6
244.07097	1.6
248.22183	0.8
253.05025	5.5
254.05775	1.5
255.06583	2.4
268.05981	1.1
269.04501	1.2
270.05460	0.9
271.06143	92.7
272.06421	4.4
272.24988	0.9
280.06091	1.8
297.07678	15.2
313.07089	2.4
341.06598	15.8
342.06845	1.1
342.54361	0.8
457.95886	0.9
480.11523	1.8
507.13040	1.8
508.13693	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11768	0.6
53.78002	0.7
56.04354	0.6
59.01377	2.1
84.09626	0.7
97.18814	0.8
102.98588	1.4
120.99669	100.0
145.02971	4.8
147.04564	1.0
163.03896	0.8
165.05487	1.1
170.30881	0.7
177.01979	4.3
178.00948	1.6
181.03322	1.5
192.04301	4.0
193.03313	2.6
195.06644	1.8
207.06699	2.6
208.24507	0.7
211.04390	8.4
299.06100	1.2
459.58139	0.8
468.08966	0.9
479.11301	0.9
507.28366	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82142	1.1
57.88999	1.1
59.01381	11.4
61.98823	4.3
65.00311	1.5
69.03461	8.5
71.01386	12.6
72.10542	1.2
72.99303	1.8
73.02946	4.1
75.00877	40.0
79.23714	1.2
80.96551	1.4
83.01389	1.5
85.02948	3.9
87.00880	11.7
89.02431	3.4
91.01907	6.2
95.01410	1.7
97.02964	6.6
99.00887	1.9
101.02477	6.1
107.01350	2.5
108.02161	8.3
109.02924	3.9
113.02460	4.3
120.99598	2.2
121.41739	1.3
122.03877	1.4
123.04534	27.2
131.03412	1.5
134.36731	1.2
135.04495	1.2
135.52953	1.4
141.01968	6.7
151.00386	5.7
152.01181	11.0
153.01935	3.9
161.04543	1.9
162.10123	1.1
166.02719	6.3
167.03505	74.3
168.03850	2.1
181.05016	5.6
181.67963	1.2
194.02177	4.9
195.02960	3.1
209.04564	32.3
229.19705	1.3
239.05597	5.1
255.05081	8.7
269.06625	10.2
287.72620	1.2
311.07697	6.2
321.08029	2.2
328.05984	1.5
328.36743	1.4
329.08728	2.7
345.43124	1.4
357.10812	9.3
371.09821	20.9
442.71484	1.5
453.10095	1.5
457.09631	2.4
471.11630	8.4
475.10678	1.8
489.12415	4.4
492.24710	1.5
507.13461	100.0
508.13748	4.8
516.44586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.4
61.98827	1.3
65.00321	1.0
67.90671	0.6
69.25760	3.3
70.29476	0.6
71.01378	7.5
72.21922	0.5
72.99313	0.8
73.02943	2.1
75.00854	0.8
81.03455	1.2
85.02946	3.6
87.00888	1.2
89.02444	3.5
91.01891	7.6
92.02244	0.6
95.01361	0.9
97.02946	0.9
99.00901	1.0
101.02436	5.7
107.01388	1.8
108.02168	8.1
109.02953	2.3
111.00864	1.6
113.02436	2.8
115.43771	0.6
119.03503	1.2
122.03718	1.0
123.04530	32.5
124.04854	1.0
125.02425	1.3
134.89310	0.6
150.03256	1.2
151.00395	3.6
152.01161	8.7
153.01915	2.4
160.52376	0.6
160.57011	0.6
161.04620	0.8
163.06168	3.1
166.02725	5.0
167.03502	100.0
168.03854	2.2
181.05052	4.1
184.27779	0.6
194.02219	3.1
195.08719	3.9
201.89717	0.6
209.04556	23.5
210.04886	1.3
214.79459	0.6
219.08830	0.7
239.05585	2.5
251.05647	1.1
255.05208	0.8
269.06674	5.5
272.35785	0.7
311.07639	2.6
339.12833	2.8
431.15778	1.5
444.77560	0.6
506.61740	0.8
507.17209	74.7
508.17584	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01384	18.7
61.98830	3.1
71.01387	8.5
73.02942	2.5
78.01112	1.1
80.72351	0.9
81.03474	1.9
83.01403	2.1
85.02972	2.6
87.00890	1.7
89.00363	1.2
89.02461	4.6
90.43459	0.9
93.17415	0.9
101.02484	4.7
102.04152	0.9
106.00600	1.6
109.02942	4.8
113.02469	2.7
116.92874	2.0
119.03545	1.6
119.05035	1.6
121.02962	32.5
123.00920	5.6
123.04585	1.3
123.22246	0.8
125.02451	2.8
127.00377	0.9
127.33565	0.9
136.98824	1.1
137.02426	7.4
137.99538	1.3
138.03258	5.2
139.00418	2.0
139.04027	1.8
149.02475	1.4
153.05585	29.2
164.01115	1.2
165.01961	2.9
165.07677	5.0
166.02686	1.2
166.99915	1.8
167.03545	4.9
168.00711	1.1
175.04004	1.8
177.01949	1.2
181.01451	7.9
182.02216	7.1
183.02954	2.5
193.01524	2.2
196.03778	3.9
197.04567	100.0
198.04866	2.1
199.04173	0.9
211.06183	5.8
212.73744	0.9
217.05136	1.9
224.03307	4.7
225.04025	1.8
239.05629	33.3
241.05145	1.2
259.06036	0.9
269.06635	3.1
269.12067	1.0
273.07620	1.1
285.03781	4.2
299.07791	9.4
303.05099	4.4
341.08798	2.5
359.10016	1.5
491.45627	0.9
507.17252	71.1
508.17545	4.6
532.57019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98001	2.3
59.01383	100.0
61.40035	2.5
65.08495	2.3
69.47281	10.8
71.01389	5.7
73.23772	2.5
85.02956	7.9
86.11294	2.3
87.00872	5.1
99.00887	2.8
101.02431	4.3
113.02462	3.9
123.04526	2.8
125.02418	2.1
183.18672	2.2
202.25719	2.4
230.84103	2.6
403.19644	14.8
421.20709	9.5
507.22049	4.0
507.28494	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	507.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.7
59.01665	0.8
59.54470	0.6
60.40313	0.5
61.98857	2.6
69.11964	4.3
71.01420	1.7
73.02976	1.1
83.01424	1.0
85.02983	1.4
97.74879	0.6
98.22657	0.9
101.02486	1.4
112.20100	0.5
113.02528	1.3
119.05085	2.1
119.54996	0.6
124.36018	0.5
135.04573	1.0
175.04091	0.9
175.63193	0.6
187.07672	0.7
189.05602	1.6
211.13478	2.0
225.05576	1.1
227.14462	1.0
229.12257	0.6
235.38789	0.6
245.47122	0.6
256.10977	0.9
267.10535	1.0
269.11954	1.1
271.13419	51.8
272.13818	1.8
286.92206	0.6
297.15039	10.2
299.12875	1.1
311.12808	0.7
313.14438	3.7
314.15207	1.4
315.16040	47.4
316.16425	2.4
344.16418	2.1
345.17099	100.0
346.17392	5.6
355.68533	0.6
463.25595	1.4
507.22345	62.6
508.22757	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25111	1.1
59.01392	3.4
70.38910	1.1
70.47810	2.0
71.01391	28.2
73.02955	32.1
83.05013	1.1
84.74535	1.2
85.02985	1.9
85.06602	15.8
86.81287	1.2
95.05035	2.1
97.64266	1.0
101.02444	2.1
107.20793	1.0
113.06104	88.8
114.06474	1.3
115.04037	6.9
118.65685	1.0
139.04036	21.9
140.75729	1.2
147.87393	1.1
157.05084	15.1
231.17545	1.6
240.19418	1.2
259.47433	1.3
340.02411	1.3
344.88776	1.0
345.17157	5.9
349.20230	100.0
350.20551	6.6
376.88800	1.1
378.21719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11774	0.8
53.78481	0.8
61.98826	1.4
71.41307	1.3
78.95913	12.8
91.43112	0.8
130.28401	0.9
136.71815	0.8
152.99600	21.4
171.00513	0.9
184.13791	0.9
184.41980	1.0
227.03314	3.2
245.04318	1.3
279.23318	100.0
280.23602	5.5
311.16614	1.1
318.36377	0.9
433.23428	1.6
507.27332	29.7
508.27881	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	507.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.5
69.06303	2.3
78.95909	8.5
90.78871	0.3
96.96950	0.6
152.99602	13.0
171.00693	1.2
180.36156	0.3
225.69412	0.3
227.03320	2.0
245.04305	1.6
279.23303	100.0
280.23654	4.8
335.07593	0.4
374.06558	0.3
375.07010	0.9
403.06625	0.7
507.12817	8.0
507.27286	23.8
508.13437	0.6
508.27969	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	507.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03450	2.0
58.00587	0.4
59.01385	34.0
62.11246	0.3
66.92065	0.4
69.03468	1.1
69.76495	1.2
71.01389	13.0
71.05025	0.8
72.99323	0.7
73.02953	7.0
81.03416	0.4
83.01399	4.0
85.02957	7.9
86.00124	1.3
87.00887	2.5
89.02473	2.7
93.03503	0.5
95.01385	2.1
97.02969	1.0
98.22607	0.5
99.00887	1.9
99.08183	1.3
101.02450	9.7
107.69711	0.4
111.00909	1.0
111.08152	0.3
113.02486	5.9
119.03534	1.2
119.05010	0.5
122.02477	0.5
123.00907	0.9
123.08227	0.4
124.01698	3.0
125.02472	4.8
127.17405	0.4
129.01971	0.4
129.09239	2.3
134.03722	0.3
137.02432	1.2
139.11276	0.5
143.03569	0.7
143.10835	0.7
149.02422	0.4
149.99606	4.6
155.10786	0.4
159.03006	0.7
160.01686	1.0
161.04564	1.5
168.00658	6.5
169.01431	0.6
175.04057	0.9
179.03548	0.4
199.23096	0.3
257.21439	0.4
285.17719	0.5
285.20749	5.7
303.21686	4.6
321.16623	0.5
327.21661	0.7
328.05289	0.4
331.06744	1.4
345.17041	1.4
345.22873	0.9
429.25058	2.4
447.26025	17.7
448.26578	1.3
458.08878	0.4
465.27103	12.5
466.27322	1.6
489.27158	1.2
507.11966	10.9
507.28171	100.0
508.12021	0.9
508.21304	0.6
508.28568	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	507.2816
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
55.01879	1.3
57.03447	0.7
59.01385	95.2
60.01706	0.5
70.38943	0.3
71.01387	9.8
72.99299	0.3
73.02948	4.7
83.01407	2.4
85.02959	6.6
87.00875	0.5
89.02465	0.9
94.66900	0.3
95.01408	0.9
97.02928	0.6
98.21855	0.5
99.00890	1.1
99.08170	0.4
100.45499	0.3
101.02455	8.6
111.00931	0.4
113.02449	4.4
119.03530	0.5
125.02454	0.9
129.09216	0.9
139.11356	0.3
141.09253	0.6
154.32806	0.3
159.03024	0.7
161.04543	1.9
167.10797	0.7
178.99918	0.4
243.19708	1.1
253.16568	0.4
261.21292	0.3
269.11969	0.4
285.20636	0.7
301.14658	1.5
303.07614	0.5
327.16098	0.4
345.17078	7.8
387.23950	0.7
405.25150	2.0
447.26114	3.1
459.85281	0.3
465.27054	3.1
475.08804	0.4
485.78461	0.3
489.27026	5.8
507.28143	100.0
508.28497	7.7
520.77057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.09416	0.8
61.98838	1.4
62.31023	0.8
66.87677	1.0
69.28194	3.6
69.28591	1.8
85.71427	0.9
93.18864	0.8
161.89760	0.9
226.70560	1.0
237.68056	1.1
246.91029	0.9
472.23495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98319	1.4
51.48955	1.6
56.32517	1.5
59.01385	100.0
61.98841	3.4
66.17619	1.5
69.72328	3.7
69.72676	1.9
78.95922	2.1
86.67281	1.7
119.50639	2.1
130.43802	1.5
216.02188	1.8
237.55200	1.8
283.94217	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	508.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	3.9
65.99855	1.6
68.64391	0.8
70.72517	1.1
83.01390	1.3
94.60822	0.8
96.00905	1.2
98.86809	0.8
107.01386	1.3
108.01006	0.9
136.00421	18.8
139.05576	2.0
141.03450	1.5
142.45767	0.7
145.06577	4.1
151.00362	2.9
155.03847	0.8
155.05022	4.7
163.99907	16.6
165.00685	5.1
167.05038	30.5
168.05405	1.6
169.06563	0.9
171.04596	2.0
173.06059	3.9
180.08313	2.0
180.10310	0.8
183.04517	13.0
184.04793	0.8
198.05699	1.3
200.07140	0.9
210.05682	1.0
211.04047	12.3
212.07130	1.3
213.05640	2.2
220.04112	1.8
224.07190	2.2
226.05153	1.7
238.05136	1.7
240.06732	5.5
252.06702	0.9
255.06651	26.0
261.86230	0.9
262.05139	1.5
268.06161	41.8
269.06769	3.8
280.06186	3.0
302.89334	0.9
320.66202	0.9
419.80783	0.9
469.48267	0.9
480.10941	100.0
481.11298	7.9
508.10315	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	508.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30956	0.7
59.01384	8.9
59.20639	0.7
61.98835	100.0
63.28370	0.7
66.85835	0.9
67.83406	0.8
71.40913	1.5
73.12207	0.8
124.18658	0.7
161.02452	1.0
169.05127	1.3
201.01877	0.8
229.05058	1.9
245.06871	1.9
269.04233	1.1
332.08408	1.1
377.12567	1.6
459.20901	0.8
464.19135	1.4
508.17154	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	508.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
57.03455	3.2
58.00597	0.6
59.01387	100.0
61.98838	9.4
62.05544	0.5
69.03471	2.0
69.26083	2.8
71.01392	45.1
72.01734	0.6
72.99332	1.8
73.02953	14.0
75.00879	0.9
79.95764	0.5
81.03480	0.8
83.01397	9.5
85.02959	23.9
87.00880	3.5
88.04081	1.1
89.02456	13.2
95.01389	4.4
96.96033	0.6
97.02971	4.5
99.00896	5.8
101.02454	32.3
102.02825	0.6
109.02957	0.8
111.00906	1.1
111.99609	3.8
112.01724	0.6
113.02467	25.3
119.03513	4.4
120.01236	0.6
123.04493	0.6
125.02474	7.0
129.01985	0.9
131.03545	1.5
142.00665	3.9
143.03537	5.9
149.04565	0.6
151.99132	0.5
153.01932	0.6
159.03021	3.7
161.04581	23.1
167.03539	0.9
177.02011	0.6
179.05667	1.5
185.04539	0.8
185.99760	0.5
198.06715	0.6
203.05620	0.8
221.06755	1.9
238.02777	3.2
270.07025	0.5
286.04880	6.0
304.05930	18.4
305.06406	1.2
328.05841	0.7
346.06931	12.4
347.07382	0.7
448.10391	0.6
466.11234	39.3
467.11566	2.6
481.01480	0.6
508.12225	12.6
509.12888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.9
56.24474	1.2
57.03455	5.4
59.01386	100.0
61.98835	9.1
67.01900	1.8
69.03452	3.3
69.53092	5.6
71.01389	96.6
72.01732	1.9
72.99312	3.6
73.02953	46.5
75.00900	3.2
81.03471	2.6
83.01392	20.0
85.02959	50.6
87.00887	8.3
89.02463	19.5
93.03467	2.1
95.01410	8.8
96.96024	2.8
97.02953	7.5
99.00898	12.9
99.04527	1.9
101.02450	67.8
102.02757	1.8
107.01427	1.3
108.02223	2.2
109.02987	2.9
111.00893	3.0
111.99636	2.6
112.01707	2.3
113.02460	54.9
114.02798	2.3
119.03519	4.3
121.02959	4.0
123.00914	1.7
123.04540	5.5
124.04903	1.5
125.02449	13.0
127.04031	2.3
131.03529	3.5
139.00386	1.4
139.04097	1.9
142.00658	3.6
143.03510	17.0
149.04567	2.8
153.05568	2.1
155.03546	2.5
159.03033	6.3
161.04570	65.1
161.74962	1.2
167.03532	15.9
168.03857	7.0
179.05647	2.2
181.05098	2.0
197.04544	2.6
203.05626	2.2
209.04515	6.3
210.04904	4.8
221.06665	1.5
238.02763	8.7
245.06708	3.8
269.06812	1.5
270.07422	1.8
279.09607	1.3
304.05954	44.0
305.06241	2.6
346.06909	3.9
349.32388	1.4
370.07394	2.9
448.10281	8.9
466.11224	75.5
467.11569	5.5
508.12085	8.3
508.18808	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	508.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97139	0.2
65.00338	2.0
65.99859	2.2
67.10430	0.2
68.99813	2.0
69.10816	1.8
76.59595	0.2
78.87296	0.2
79.14528	0.3
83.01411	0.4
87.54437	0.3
90.52007	0.2
92.99812	0.3
93.48959	0.2
95.85400	0.2
96.82782	0.2
99.00867	0.6
101.03971	0.4
108.00933	0.9
116.05067	0.8
119.67673	0.2
134.02489	0.9
135.03288	0.3
141.07144	0.3
152.03563	2.6
165.04346	0.5
166.05098	1.2
166.06476	0.3
169.06604	0.8
171.04538	3.9
172.07732	0.4
175.99892	0.4
178.06624	2.3
180.08269	0.4
182.06181	0.4
189.04256	0.4
190.05072	0.9
190.06636	0.5
192.08234	0.4
194.06111	0.7
202.06599	0.6
203.07390	0.4
204.08119	0.8
206.06117	0.6
207.06862	1.5
208.07677	3.2
209.06102	0.4
210.05699	0.3
216.08141	0.5
220.07779	0.5
222.09268	0.4
224.07144	0.5
228.08223	1.1
230.06151	0.5
231.06877	0.7
232.07739	1.8
233.08365	0.6
234.05661	2.2
235.06308	0.5
236.07249	1.8
238.08702	0.5
242.08299	0.7
244.07628	0.7
248.07204	0.3
252.06625	0.3
254.08252	7.1
255.06865	0.4
256.07736	0.6
257.03375	0.3
257.08527	0.5
258.05826	0.3
258.09277	0.4
260.07132	0.8
262.08777	0.3
266.08246	7.6
267.08420	0.3
268.06149	0.3
268.09927	0.8
270.03940	0.3
270.07809	1.7
272.06845	0.4
276.06696	0.3
278.08286	0.3
280.06213	1.6
284.07172	0.7
290.08304	2.4
292.09827	4.4
294.07785	5.4
300.06696	0.6
302.08127	0.3
304.06177	0.3
304.09805	0.3
308.09271	0.4
316.09863	1.6
318.07611	0.3
328.06326	0.4
332.09576	0.4
336.08789	5.9
337.08948	0.3
341.07916	0.6
342.08923	0.3
344.09274	0.5
357.06561	0.3
360.08826	1.6
372.08997	0.3
380.12915	0.3
392.12198	0.4
398.14175	0.5
404.07703	3.5
404.12497	0.3
438.13785	0.3
466.13116	2.3
508.14041	100.0
509.14246	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	508.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15157	0.7
59.01381	5.3
61.98835	100.0
70.05782	2.1
74.57104	0.7
117.03482	0.8
119.05064	1.1
149.93750	0.7
216.31845	0.7
241.44090	0.8
278.01044	0.7
515.32507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
59.29681	0.6
61.98841	3.2
62.89063	0.6
64.17361	0.7
65.00352	0.9
67.01894	0.7
68.99827	1.0
69.80842	1.4
69.81231	1.3
71.01376	6.1
73.02936	1.5
81.03452	1.9
83.01407	1.4
85.02956	1.7
87.00893	1.3
91.01900	0.8
93.03468	1.2
95.01391	3.0
96.94941	0.6
101.02435	1.9
106.00612	1.6
107.01398	7.8
108.02180	43.6
109.02995	3.2
111.00885	2.1
113.02485	2.2
114.77166	0.7
121.02965	10.1
122.00127	1.6
122.03667	0.6
123.00887	12.4
123.04530	19.5
123.05377	1.3
124.01691	5.4
124.04855	0.7
125.02451	2.1
127.00373	1.3
136.98874	1.0
137.02451	12.4
138.03259	9.0
139.00404	2.3
139.04021	10.9
141.01974	0.9
151.00420	4.6
152.01169	77.9
153.01591	1.4
153.05574	8.8
155.03511	2.6
166.01311	0.9
166.02718	20.5
166.99890	8.9
167.03514	100.0
168.00635	7.6
168.03914	2.2
169.01410	1.1
169.05833	0.7
178.02815	0.8
179.03421	0.8
181.01477	8.7
181.05090	16.0
182.02213	11.9
182.05502	0.8
183.02997	31.6
183.16364	0.6
184.03354	0.7
196.03802	1.4
197.04567	22.7
198.04921	1.0
209.04562	1.8
210.01790	0.7
211.06149	1.2
225.04024	2.0
255.05211	1.1
266.39603	0.7
302.80530	0.7
311.04163	1.5
312.04874	1.8
326.06458	4.4
327.07220	67.4
328.07416	3.2
341.08789	37.5
342.09201	1.8
509.13000	41.7
509.24246	1.9
510.13553	2.1
531.23199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99866	0.6
59.01390	7.6
67.94303	0.6
69.38670	3.3
71.01392	1.8
73.02958	1.6
85.03009	1.3
93.10608	0.6
101.02456	2.0
112.93822	0.9
113.02432	1.3
120.99670	100.0
122.00037	0.8
122.99271	1.0
132.81555	0.7
136.86195	0.6
145.02977	2.1
179.39798	0.6
186.93260	0.7
193.03227	0.8
206.92094	0.8
211.04375	1.9
306.82089	0.6
390.53461	0.7
508.28448	2.4
509.22849	0.9
509.29526	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	509.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98836	7.5
64.92982	3.0
65.90043	2.8
69.28467	18.9
70.98918	3.0
71.01383	36.1
72.99312	5.0
73.02956	16.4
75.00868	12.6
76.55448	4.0
77.57156	3.1
83.01391	7.3
85.02962	30.3
87.00891	4.4
99.00894	10.1
101.02464	28.6
101.42360	3.5
113.02465	21.3
117.03413	4.9
119.05080	5.3
135.04552	6.3
147.80048	3.7
151.00349	6.4
159.62233	3.3
161.02463	7.9
161.04570	9.5
166.02750	10.1
181.05054	9.6
196.33267	3.4
237.35297	4.3
273.16855	4.1
291.18069	25.0
347.18796	5.3
423.22272	23.7
465.17709	4.6
465.23477	45.4
508.58560	3.8
509.15970	5.9
509.22589	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03056	0.6
59.01392	0.9
59.97896	0.5
69.94861	0.6
76.61918	0.6
77.41315	0.5
87.35522	0.6
98.21812	1.2
105.27445	0.6
109.77932	0.5
113.02460	0.8
170.33450	0.5
183.51895	0.6
212.73672	0.6
215.10791	1.5
217.12395	1.0
255.13872	1.7
269.15479	2.9
270.04880	0.9
270.16260	1.7
285.18625	68.2
286.19043	3.8
311.37698	0.6
329.17609	100.0
330.18094	5.0
346.18088	0.8
347.18658	77.5
348.19083	6.3
377.95090	0.7
509.23959	58.1
510.24387	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	509.2393
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
57.49556	0.5
59.01366	0.7
63.07182	0.4
69.44018	1.1
69.44420	1.2
84.43085	0.6
85.02917	0.6
94.45988	0.5
101.02516	0.6
114.42424	0.5
123.23074	0.5
167.03513	0.8
171.09348	0.5
207.43271	0.5
215.10742	1.1
217.12334	1.2
241.12334	0.5
255.13928	2.0
257.15564	0.5
269.15506	2.4
270.16162	1.4
285.18604	63.2
286.18933	4.0
329.17590	100.0
330.17981	7.1
345.17157	0.6
346.17853	0.7
347.18640	70.5
348.18991	5.2
487.83063	0.5
509.23972	56.2
510.24384	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	509.2397
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
55.01871	4.2
57.03458	6.4
58.00586	1.3
59.01384	88.7
59.46950	0.7
61.98829	2.5
67.01882	0.9
68.28403	0.8
68.66653	0.8
69.03440	1.2
70.81697	0.7
71.01388	100.0
72.01687	0.9
72.99316	1.8
73.02953	23.6
75.00890	0.8
83.01400	7.5
83.05031	2.4
83.08029	0.8
84.02215	1.0
85.02958	36.4
87.00877	2.9
89.02451	50.1
95.01405	8.3
97.02956	1.9
97.06647	1.1
99.00888	9.4
101.02451	63.8
101.97704	0.8
107.04991	0.9
113.02461	45.9
114.02769	1.1
117.03432	0.9
117.86621	0.8
119.03507	25.7
119.04337	1.7
119.05037	1.4
120.99630	1.1
121.06613	1.3
123.99023	0.8
125.02465	2.2
129.01918	1.2
131.03511	2.8
143.03506	6.1
149.04565	2.5
149.30038	0.8
154.75465	0.8
159.02992	6.8
161.04567	32.7
175.11462	0.9
178.85020	0.9
179.05611	10.8
189.12875	6.3
191.14418	0.9
233.11847	1.1
233.15553	1.0
275.20126	2.0
285.18631	4.6
287.20084	2.4
288.17447	1.6
300.29742	0.8
303.19672	45.1
304.20099	2.2
310.95023	0.8
321.20721	1.7
329.17542	9.0
337.65604	0.9
347.18649	55.9
348.18921	4.2
389.19620	3.2
465.24872	5.1
509.23944	57.7
510.24573	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	509.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
65.00330	0.4
65.99839	0.4
69.74543	0.7
71.01385	0.6
71.82616	0.3
85.02972	0.4
120.00877	0.3
134.02502	0.7
136.00462	0.5
136.80467	0.3
137.02449	0.3
162.01994	0.4
165.06839	0.3
166.01373	0.3
171.04494	0.5
197.06172	0.3
200.98120	0.3
215.10767	0.5
220.07646	0.3
222.09129	0.4
223.07689	0.5
225.11667	0.3
228.97774	0.5
236.07300	0.3
240.06700	0.4
241.05215	0.3
244.14603	0.5
257.15451	1.0
262.08762	0.3
266.08203	0.4
267.06686	0.4
268.06174	1.0
269.15393	0.3
271.17053	0.6
273.18579	3.1
285.18637	2.3
287.16434	0.6
291.06494	0.3
294.07767	0.6
296.05713	1.5
298.62973	0.3
301.18112	1.3
303.19696	1.0
317.17615	4.1
329.17578	2.9
334.07205	0.6
338.06714	0.7
345.17194	1.3
346.17700	1.0
347.18649	100.0
348.18948	6.1
360.09155	0.3
362.06531	0.5
395.12912	0.7
405.02451	0.4
426.93625	0.3
438.13638	0.3
448.64404	0.3
462.46600	0.3
466.13028	1.4
477.09140	0.3
495.62677	0.3
509.23972	41.4
510.12061	7.7
510.23999	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77051	37.3
52.56334	40.1
59.01385	71.1
61.98832	99.3
71.40955	40.7
79.75599	33.0
86.35667	32.8
119.05066	45.2
122.02472	100.0
133.26671	36.4
142.24692	38.4
145.81024	37.9
168.92145	35.3
195.57143	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01326	1.7
61.43140	1.9
65.00320	3.7
65.99837	4.3
68.99802	2.2
70.05747	1.5
70.26254	4.3
71.22286	1.5
82.78232	1.5
96.00928	5.2
112.00477	2.0
112.40544	1.9
117.03485	2.9
118.02996	2.9
120.00940	4.7
122.02489	2.5
123.00925	2.2
130.02959	2.2
133.01685	2.9
134.02496	13.5
136.00415	7.5
138.02029	2.4
141.07155	2.1
146.02510	4.3
152.03479	1.8
158.02510	4.8
160.00475	3.0
160.04010	3.9
162.01999	5.8
163.99911	2.8
166.01427	3.5
169.06584	1.8
171.04466	4.4
173.06090	4.4
181.06638	3.3
186.01910	3.6
191.99355	2.6
196.07663	5.2
197.06111	3.0
202.01564	3.3
213.05597	5.2
220.07661	3.8
221.06143	4.0
222.09212	2.5
223.07610	6.9
224.07120	3.9
225.05466	3.3
230.01036	2.8
234.00368	2.7
234.09293	2.3
235.07689	3.2
236.07198	2.0
238.08698	2.8
239.07147	2.7
240.06709	4.1
247.07547	4.0
248.07353	1.8
250.05266	2.5
252.06796	2.6
262.08801	3.6
264.06506	5.2
266.08218	4.1
268.06158	14.2
270.07822	2.3
278.04572	2.2
290.08206	5.4
291.06387	3.0
292.06119	2.7
294.07648	11.3
295.06271	2.0
296.05688	21.9
306.07703	4.0
313.07239	4.0
318.07593	4.1
320.05655	2.7
321.06543	2.6
332.09238	2.9
334.07260	9.0
335.07980	2.7
337.05911	4.8
338.06827	12.7
361.05789	2.2
362.06744	7.5
394.14575	2.3
395.12796	7.9
396.12250	3.0
424.12128	2.9
438.13498	4.5
439.12567	1.9
444.83078	2.1
466.13031	14.9
492.10861	3.7
508.36536	1.9
510.11966	100.0
511.12299	10.4
537.70313	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	510.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86246	1.3
52.68609	1.2
54.45321	1.4
62.94548	1.4
65.00332	4.5
65.99856	3.0
70.26038	2.6
81.03451	2.2
96.00926	4.5
107.01469	1.5
110.02488	4.0
112.00420	3.2
118.03019	3.1
119.01427	2.4
119.05008	1.8
120.00924	6.2
122.02479	2.6
130.02992	1.6
133.01727	4.4
134.02515	12.2
135.00905	1.8
136.00418	9.7
136.98834	2.4
142.02975	1.9
145.06619	2.3
146.02502	4.2
147.00986	1.8
147.03276	2.3
149.01218	2.2
158.02473	5.8
160.00339	2.3
160.04042	2.5
162.02014	7.2
162.43657	1.6
163.99863	4.4
166.01451	8.3
169.06567	4.1
171.04544	7.6
173.01311	1.4
173.06120	3.8
176.03581	1.8
180.08147	1.6
184.49359	1.6
186.02014	5.1
187.00421	1.9
189.00873	1.7
190.01431	3.2
191.99391	4.0
195.08090	1.5
196.07718	3.9
197.06090	2.6
199.07689	2.1
202.01497	3.8
212.07257	2.4
213.05585	4.2
218.01024	1.9
219.08083	1.9
220.07745	1.9
221.06030	3.1
222.09315	2.8
223.07727	8.5
224.07320	2.9
225.05701	3.0
226.05136	2.1
230.01071	2.2
234.00456	2.8
235.07649	2.9
236.07294	2.4
238.08740	2.4
240.06670	5.6
241.05067	3.0
242.00967	1.9
245.24966	1.7
246.09232	2.5
247.07655	6.0
248.07161	3.3
250.08847	3.8
252.06772	3.1
254.04584	2.1
262.08856	3.6
263.07220	2.2
264.06784	4.1
266.08273	6.2
268.06226	14.9
270.07703	4.9
274.06326	1.8
276.06488	1.8
284.05502	2.5
290.08252	4.3
291.06564	3.8
292.06195	2.5
294.07767	12.3
296.05618	25.7
297.06470	2.0
306.07666	4.2
310.07034	2.4
316.06293	2.9
318.07736	4.4
321.06342	2.7
334.07193	7.3
337.05884	3.9
338.06650	8.6
358.07175	3.9
361.05853	2.0
362.06680	8.4
364.08438	1.9
395.12857	6.7
422.14166	2.2
424.11969	3.2
438.13376	5.5
464.11536	3.5
466.12827	17.4
492.10965	4.8
510.11969	100.0
511.12402	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	510.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
65.00319	3.8
65.86539	0.8
65.99854	2.3
68.99831	1.9
69.41913	2.0
69.42305	1.7
98.21964	1.8
111.00913	0.9
117.03474	0.8
119.05062	1.0
120.00938	1.3
136.00415	1.1
140.33731	0.8
146.02478	1.9
160.04059	2.1
163.00369	1.5
163.99864	1.2
165.01942	1.1
170.02428	1.0
171.04539	5.6
175.99837	1.0
184.04063	2.5
186.02000	1.3
188.03603	1.8
189.99240	1.1
190.01404	1.8
196.95740	0.9
200.98112	0.9
208.07660	1.6
210.05635	1.2
212.03506	2.5
213.05632	1.0
214.01492	2.0
220.07802	1.0
223.07674	1.5
224.07269	1.9
225.05630	1.4
228.03035	2.1
239.03535	0.9
240.06717	1.1
246.09283	1.1
248.07181	1.6
249.05606	1.0
250.08846	2.8
252.06615	6.1
256.02472	4.1
266.08237	1.7
267.06662	2.2
268.06128	3.3
270.07635	1.6
274.08731	3.2
276.06784	1.4
279.05566	1.1
280.06262	1.8
281.06528	1.5
290.08322	2.1
294.07715	9.4
295.06079	2.8
296.05707	8.9
318.07700	12.1
319.06454	0.9
332.09357	2.2
360.08847	14.0
362.06802	2.4
380.12918	3.0
404.07645	1.1
422.13892	8.0
424.11993	1.9
466.13004	13.3
467.12811	0.9
492.11099	1.7
510.11966	100.0
511.12451	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	510.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79281	0.4
64.01924	0.9
65.00332	0.8
65.99852	8.7
68.99829	0.7
70.53353	0.3
73.07983	0.4
84.27139	0.3
88.01938	0.5
90.93420	0.3
94.03002	0.8
102.03512	0.5
106.02982	0.6
108.00927	1.1
110.02514	0.5
115.05549	0.6
117.03412	0.4
118.03019	1.1
120.00922	1.9
130.02998	0.7
131.03683	0.4
131.05054	1.2
132.00926	0.4
133.01720	1.1
133.06621	0.6
134.02477	0.9
136.00400	1.7
138.65173	0.4
141.07080	0.5
142.03011	0.7
143.05040	0.6
146.02496	4.1
146.99763	0.4
147.00874	0.4
147.03302	0.7
148.00490	0.4
148.04134	0.4
150.01985	1.6
157.06580	0.8
158.02472	1.3
161.01207	0.7
161.06140	0.9
162.01961	3.6
163.00386	0.8
163.99884	1.1
164.03584	0.7
165.00636	0.4
169.06580	1.5
171.04521	4.6
173.01222	0.8
173.06071	1.0
174.01962	5.5
175.02751	1.1
175.99895	6.1
185.06158	0.7
186.01979	1.7
187.00377	1.0
187.04060	0.5
188.04868	0.7
189.00694	1.8
189.05569	1.5
190.01485	5.4
191.02179	0.5
194.06166	0.3
195.04550	0.6
197.06123	1.0
200.03519	0.5
202.01488	2.2
203.02258	2.5
203.99409	0.9
208.07669	0.6
210.05624	0.6
213.05666	0.8
214.01453	0.6
215.99376	0.4
216.02969	0.8
217.00172	1.1
218.00945	3.8
220.07794	0.6
224.07170	1.0
225.05493	0.6
226.05083	0.4
230.00969	1.3
231.01723	0.7
231.06818	0.3
234.00511	0.5
236.07198	1.1
238.05130	1.2
238.08719	0.5
240.06700	0.8
241.05093	1.4
242.08321	0.7
244.02481	1.7
244.99673	1.5
246.00490	0.6
248.07216	1.2
250.08827	0.9
251.05841	0.5
252.06683	4.0
255.06635	1.3
258.00427	8.2
262.08777	0.5
264.06668	1.3
266.08151	2.4
267.06534	1.7
268.06137	3.1
269.06952	0.4
274.00055	1.9
274.08948	0.5
276.06815	0.7
277.07516	0.7
278.04767	1.0
278.08212	3.8
280.06161	11.4
281.06427	0.4
288.06717	0.6
291.06641	1.1
292.06204	1.5
293.06927	1.0
294.04587	0.7
294.07773	8.7
295.06085	1.6
296.05609	1.0
304.06177	1.0
305.06802	0.6
306.04538	0.4
306.07544	1.8
316.06149	0.5
318.07663	0.5
319.06100	1.2
320.05673	3.6
321.06354	0.7
322.03397	0.8
322.07230	16.3
323.07590	0.9
332.05560	0.5
334.07288	1.9
348.05139	1.5
349.05856	1.7
350.06720	1.3
351.07016	0.4
360.05194	2.0
362.06674	5.1
367.48489	0.4
377.05481	1.9
378.06171	4.0
380.12674	0.4
388.04538	1.7
406.05667	1.4
423.12405	3.3
436.11661	0.4
438.13608	1.7
464.11392	2.0
466.12888	2.6
467.12909	0.4
482.12509	0.6
492.11044	1.3
510.11981	100.0
511.12241	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	510.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06308	1.9
59.29152	1.8
60.49079	2.0
61.98833	2.8
64.01955	1.9
65.00345	4.8
65.99839	9.5
70.84933	4.6
71.01385	4.8
77.29782	2.3
83.01377	4.1
96.40559	2.5
99.00896	7.7
112.98837	3.2
115.05561	3.3
117.03483	2.7
118.27608	2.0
127.00391	25.6
134.02481	2.6
136.00412	4.7
139.05612	2.4
141.07082	2.7
143.05008	8.0
146.02499	5.8
150.01981	2.1
162.01917	2.1
163.00439	4.3
163.99875	4.9
169.06505	3.6
171.04529	9.8
173.06155	3.2
174.01915	2.7
175.02719	2.2
175.99896	7.5
185.06148	3.6
186.01843	2.5
189.99001	2.8
190.01427	2.4
192.08311	3.0
197.06073	2.9
202.99925	3.3
210.05595	2.5
211.30855	2.4
213.05588	10.6
218.00951	2.6
220.07646	9.5
224.07204	5.9
236.07198	5.6
241.05057	9.3
242.08234	2.0
243.85582	2.2
248.07164	5.0
251.05782	2.4
252.06818	5.1
255.06842	2.3
258.00470	3.7
260.07233	2.6
263.15134	2.7
264.06628	11.1
266.08096	3.8
267.06650	5.5
268.06125	9.5
269.04593	2.8
270.07513	3.0
277.07404	3.2
278.04916	3.0
278.08090	5.2
280.06284	16.1
291.06644	2.5
292.06210	8.0
293.07040	5.8
294.07730	6.5
295.06070	8.8
296.05518	3.5
305.07083	3.5
307.06012	2.3
320.05927	3.6
321.12390	2.5
322.07190	9.0
334.07431	3.6
352.13510	6.7
362.06564	4.3
368.13010	9.8
377.05356	2.3
378.06528	4.0
378.11172	4.2
382.10876	10.8
396.12405	100.0
397.12683	5.9
410.10120	5.0
424.11719	3.1
438.13425	30.3
439.13095	4.0
442.13062	4.8
454.12482	2.3
466.13138	11.1
510.11996	75.2
511.10571	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	510.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98837	100.0
64.53610	0.3
69.61867	1.1
77.97544	0.3
84.77728	0.3
93.85648	0.3
96.36354	0.4
152.92500	0.4
156.34251	0.4
167.03448	0.4
190.46492	0.4
211.24797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33353	0.4
59.01384	2.1
60.65327	0.4
61.98833	100.0
69.67743	1.5
71.01387	2.1
71.22635	0.4
73.02953	1.6
81.82082	0.4
85.02964	0.6
88.47916	0.4
89.02469	2.5
95.01363	0.4
98.22703	0.5
99.00890	6.8
101.02475	1.3
103.01106	0.4
108.02288	0.3
113.02479	1.6
114.59420	0.4
122.71058	0.5
123.88566	0.4
135.04521	3.5
146.94005	0.4
149.04584	0.9
161.04532	0.5
191.05658	1.7
315.10828	1.2
414.42044	0.4
447.15094	27.6
448.15469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90401	0.4
55.44005	0.4
59.01379	1.1
61.98837	100.0
69.57285	0.7
69.57675	0.9
71.01382	0.7
85.02955	0.6
85.08031	0.3
89.02438	0.6
101.02464	0.4
130.35896	0.4
170.09233	0.4
240.98689	0.5
241.01532	0.4
251.14745	0.4
296.78568	0.4
313.65005	0.4
399.42297	0.4
492.15878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.9
61.98840	0.5
63.65812	0.3
69.71054	1.2
72.17540	0.4
74.75701	0.3
78.03475	2.2
85.02960	1.2
86.64243	0.4
107.15081	0.3
118.88004	0.3
119.05029	0.9
122.02496	100.0
123.02834	1.6
128.17821	0.3
136.04041	1.9
146.02502	8.4
150.05600	0.4
213.16565	1.2
229.01300	0.3
255.17548	1.9
273.18564	0.7
317.17810	0.5
327.15979	0.7
345.17050	0.8
365.13910	0.3
387.17996	0.5
422.19843	0.4
438.22842	0.6
472.23483	0.3
510.21283	6.3
511.21487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.98835	100.0
66.15442	0.4
69.09124	2.5
98.66046	0.3
119.05050	0.4
138.15135	0.3
140.94778	0.3
196.37390	0.3
324.50577	0.3
412.57602	0.4
510.24744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.7
61.98836	100.0
98.21785	2.7
114.56602	1.2
156.12273	1.5
209.43922	1.2
312.20212	1.1
450.28357	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	510.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97039	0.5
59.01389	2.3
61.98836	100.0
71.43399	0.7
76.59190	0.7
97.09801	0.6
101.85301	0.5
117.03520	2.3
117.05618	1.2
119.05029	3.2
122.02524	1.1
156.71822	0.6
164.98454	0.6
167.06958	0.7
241.60124	0.7
284.03641	1.1
299.02280	0.5
300.02716	4.9
510.19519	1.9
511.16541	1.0
511.56970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56278	0.2
57.36990	0.3
59.01379	1.2
61.98836	100.0
65.92313	0.2
69.57641	0.3
70.42844	0.5
115.03992	0.3
119.05077	0.8
162.30620	0.3
199.58879	0.3
208.97192	0.3
225.52238	0.3
261.59003	0.3
299.02087	0.4
300.02841	0.7
511.19992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98835	100.0
69.71349	1.6
79.90590	0.6
102.72533	0.6
109.49763	0.5
116.67526	0.6
117.03482	0.6
145.13672	0.6
223.86629	0.6
256.03317	0.8
284.03128	1.1
374.50998	0.6
451.13284	0.6
510.18811	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	510.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76002	0.8
57.08126	0.8
58.17962	0.7
59.01384	4.7
61.98837	100.0
70.74297	0.9
70.74636	1.7
88.47590	0.8
115.78063	0.9
117.03430	1.5
119.05032	3.6
121.29055	0.8
122.02539	1.8
122.03674	0.8
124.04086	1.2
134.71788	0.8
162.83929	1.2
165.12898	1.5
176.40088	0.8
218.04939	17.3
247.20714	1.1
291.19687	11.1
292.20026	1.0
344.45493	1.0
402.11707	0.9
499.90060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96757	2.1
59.01396	10.9
61.98845	12.5
69.33197	2.0
69.85343	4.4
72.97544	13.1
72.98731	2.3
74.20488	2.0
78.14899	2.6
82.15108	2.2
84.11218	2.1
92.99792	2.0
98.22608	3.7
113.04335	2.3
119.05074	3.0
122.02496	10.2
125.88265	2.5
131.42735	2.3
135.04546	3.4
135.13290	2.2
165.12871	8.1
183.13924	3.0
184.06197	3.6
223.13412	4.6
256.11395	17.2
275.98782	3.0
284.03363	2.6
291.19650	29.2
299.43060	2.0
325.18472	100.0
326.18802	4.0
381.09256	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	510.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.98840	16.5
66.90416	1.3
69.07357	9.0
69.33618	1.2
72.97545	13.2
80.43501	1.2
98.22726	2.7
102.35680	1.1
108.04559	2.7
108.49873	1.2
113.04327	5.2
117.03503	1.3
119.04993	2.9
122.30277	1.1
127.02228	1.8
135.04510	1.3
156.26706	1.2
165.12820	7.2
167.14413	2.2
170.09435	1.1
184.06177	9.8
217.00046	1.2
223.13448	5.4
227.16412	1.1
229.14436	1.8
247.20549	1.2
256.11426	19.7
273.18640	1.8
291.19705	30.0
292.20065	2.8
307.17365	1.6
325.18442	100.0
326.18948	7.5
398.14316	1.5
510.18353	2.8
510.25543	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	510.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61930	3.5
59.01388	100.0
60.01717	10.5
61.01803	7.1
61.98830	27.4
63.53543	3.5
69.06525	8.5
69.06931	22.9
80.03980	3.6
100.31841	3.9
109.02979	5.0
119.05080	4.0
119.52670	3.4
121.02969	9.8
135.04518	4.9
161.26453	3.9
171.30338	3.8
187.57587	3.9
273.15140	4.6
276.22577	4.0
306.20123	3.7
428.78152	3.9
467.16611	4.0
505.39212	4.8
510.39621	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	511.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.7
61.98846	0.3
64.81712	0.3
69.22388	1.2
69.22787	0.8
71.01392	1.2
73.02954	0.6
81.19543	0.3
83.93130	0.5
84.93885	1.6
85.02948	0.8
89.02486	0.8
97.02988	0.4
98.94837	0.3
99.04556	0.4
99.92597	11.6
100.92699	0.4
100.93372	13.2
101.02501	0.7
101.93446	0.5
103.00391	0.6
114.94936	0.4
115.92096	13.0
116.92878	100.0
117.92883	3.2
117.93600	0.6
119.05049	7.1
121.06615	0.4
124.01667	0.5
135.04547	0.4
140.92891	0.4
141.93645	0.6
142.94458	2.7
148.05353	1.3
156.92375	0.7
158.93959	0.7
159.50244	0.3
163.07664	1.0
184.91850	1.7
184.95471	0.6
185.92616	1.0
186.93509	0.4
196.95564	0.7
203.10773	0.4
224.94823	0.5
228.98463	0.4
231.98430	0.7
242.96111	0.8
263.13046	0.5
284.97211	0.5
303.19812	1.7
322.13184	0.3
337.73212	0.4
349.20102	0.8
388.57761	0.4
389.03220	0.5
407.04388	2.5
425.05603	2.7
437.05655	0.7
449.05447	0.8
467.06436	2.3
467.26721	1.1
475.03372	0.9
479.17331	0.7
493.24481	0.6
511.05518	5.9
511.19226	1.6
511.25790	9.3
535.69000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21814	0.4
60.70618	0.5
66.04682	0.5
69.86809	1.5
70.70800	0.5
95.06053	0.5
96.96021	2.0
98.21890	0.6
110.00087	8.4
110.00755	0.7
116.84371	0.5
117.03510	0.7
119.05019	1.4
137.99588	5.6
153.01959	1.8
157.37700	0.5
160.16592	0.5
164.01129	0.9
165.99086	10.6
181.01491	1.2
183.47475	0.5
198.19954	0.5
200.04984	0.7
205.06458	0.5
210.99178	1.6
212.04811	1.6
214.02737	1.4
227.03601	0.6
240.04272	0.8
242.02228	0.5
256.03763	0.6
283.02539	1.9
284.03281	46.4
285.03568	2.5
299.05612	100.0
300.05914	5.1
392.81906	0.5
431.09814	28.2
432.10297	1.8
451.32535	0.6
511.05505	18.6
511.13080	0.9
512.05920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
65.00339	0.7
79.95747	2.2
82.00621	0.7
85.02967	0.7
89.02409	0.3
96.96003	3.1
96.99238	0.3
98.21802	0.8
110.00108	8.8
113.02456	0.8
117.03461	0.5
119.05048	1.8
125.02498	0.5
136.98869	1.3
137.99615	5.4
151.00403	0.9
153.01942	1.7
161.02469	1.5
164.01147	0.5
164.98323	0.9
165.99075	13.0
166.99472	0.4
171.04549	0.4
181.01465	1.3
187.04077	0.6
200.04868	0.8
210.99130	2.4
211.04167	0.6
212.04823	1.9
214.02730	1.3
227.03531	0.8
227.25838	0.3
235.98866	0.7
239.03363	0.4
240.04308	1.0
242.02261	0.6
255.02779	0.5
256.03900	0.5
267.03070	1.0
269.04608	3.1
283.02487	1.5
284.03290	52.2
285.03864	1.8
292.98633	1.4
297.03940	1.7
298.04691	0.8
299.05618	100.0
300.05902	4.7
320.98148	1.2
331.19235	1.3
336.00412	1.9
336.03079	0.6
349.20331	0.7
379.01230	0.5
415.96017	1.1
420.85596	0.4
430.98691	4.8
431.09830	31.7
432.10178	2.2
432.15231	0.4
496.22684	0.5
510.94427	2.2
511.05515	17.4
512.06042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72028	0.2
59.01365	0.4
64.53067	0.2
67.01896	1.5
71.41012	0.4
79.95744	0.3
93.56863	0.3
95.01397	0.6
96.96037	1.9
136.98811	0.4
139.00464	0.4
141.07118	0.4
153.07147	0.3
155.05017	0.3
166.99901	0.3
169.06596	1.9
171.04536	3.2
171.08113	0.3
173.06064	0.8
181.06606	0.8
183.04459	0.4
185.06059	0.4
195.04416	0.4
197.06084	5.7
199.04120	0.6
201.05568	0.7
213.05592	2.1
224.04758	0.8
225.05608	3.2
241.00307	1.8
241.05138	2.1
268.03851	1.6
269.04553	100.0
270.04852	4.8
285.14706	0.4
286.15402	0.6
330.17996	0.5
348.18881	0.5
348.99921	0.7
431.09781	8.4
431.15588	0.5
432.10080	0.4
467.22583	0.3
480.37573	0.3
510.24240	5.7
511.05533	16.2
511.24548	3.1
512.05566	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74788	0.3
57.48438	0.3
59.01387	0.7
59.79308	0.4
60.94095	0.3
79.95742	1.4
80.17699	0.3
82.00618	0.6
85.02982	0.4
96.96015	2.5
104.62208	0.3
110.00108	8.6
113.02424	0.4
114.86699	0.4
117.03524	0.6
119.05032	2.3
125.02398	0.3
136.98827	0.5
137.99605	5.6
151.00343	0.7
153.01953	1.7
161.02466	0.7
164.98288	0.3
165.99089	11.2
175.02626	0.3
178.02721	0.4
181.01474	1.1
185.02512	0.6
200.04903	0.8
210.99188	1.7
211.04050	0.5
212.04807	1.8
213.05112	0.3
214.02745	1.0
227.03499	0.7
228.04326	0.5
235.98820	0.7
240.04318	1.2
242.02361	0.4
247.09816	0.7
255.03052	0.7
256.03867	0.4
262.12057	0.5
267.03113	0.4
269.04581	1.8
283.02438	1.8
284.03287	47.7
285.03629	3.0
298.04788	0.4
299.05624	100.0
300.05954	5.3
300.76080	0.3
301.18106	2.3
331.19183	3.9
349.20248	4.5
431.09860	27.4
432.10089	1.5
449.25107	0.4
511.05542	16.4
511.18036	0.7
511.25601	3.1
512.05969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59861	0.2
50.71484	0.2
52.61982	0.2
59.01372	0.9
59.89539	0.2
65.00323	0.8
69.68208	0.8
70.89957	0.2
71.01384	0.5
73.02938	0.3
95.01369	0.5
96.96024	1.9
98.22014	0.4
120.99628	0.3
121.57629	0.2
136.01660	0.3
136.98792	1.0
139.00362	0.9
141.07097	0.6
143.04982	0.4
145.02911	0.3
151.05531	0.3
155.27950	0.3
157.06612	0.2
165.58075	0.2
166.02634	0.3
166.99811	0.5
167.03563	0.3
167.04953	0.2
169.06595	2.4
171.04544	0.8
173.06013	0.3
178.02698	0.7
183.04547	0.3
187.07660	0.8
191.03661	0.2
193.05078	0.4
195.04607	1.2
195.06335	0.3
197.06161	1.8
199.04054	0.3
199.72316	0.3
201.05600	0.3
205.05020	0.3
205.08791	0.3
205.84187	0.2
207.04471	0.3
213.05618	1.2
215.07137	1.0
216.07906	0.3
217.05099	1.6
218.05835	1.5
223.04045	2.6
224.04655	0.5
225.05577	0.9
231.06633	0.4
232.07436	2.6
233.08206	5.7
235.29556	0.3
241.00244	2.0
241.02245	0.2
241.03033	0.2
241.05093	2.0
247.09758	5.1
248.10551	3.6
251.03496	2.2
262.12146	2.2
263.12897	9.3
268.03775	0.9
269.04565	100.0
270.04919	5.1
307.11877	4.0
367.56674	0.3
431.09885	5.7
432.10510	0.4
467.19296	1.3
511.05530	6.3
511.17526	0.5
512.05756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0556
Annotation	3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate
Peak:m/z	Relative Intensity
59.01389	1.5
59.44208	0.2
67.01889	1.2
68.39131	0.2
69.35353	0.8
71.01379	1.3
73.02946	0.6
79.95752	0.5
83.01428	0.4
85.02966	0.7
85.28154	0.2
89.02469	0.3
93.03524	0.2
95.01432	0.6
96.96020	2.4
98.77786	0.2
101.02453	0.9
112.74871	0.2
112.93134	0.2
113.02445	0.6
119.05025	0.4
119.29266	0.2
123.74015	0.2
129.78140	0.2
135.04587	0.3
139.00426	0.3
141.07162	0.5
143.97389	0.3
153.07095	0.4
155.05043	0.6
157.06551	0.3
161.04602	0.3
167.03502	0.5
167.04965	0.2
168.03937	0.3
169.06615	1.8
171.04524	3.9
173.06117	0.6
180.05882	0.3
181.06609	0.9
183.04570	0.4
185.06116	0.5
191.32414	0.3
195.04546	0.5
197.06093	6.7
199.04008	1.1
201.05630	0.6
213.05614	1.9
223.03937	0.2
224.04721	0.7
225.05598	2.7
240.04437	0.6
241.00275	2.2
241.05069	2.1
267.03146	0.3
268.03870	0.3
269.04562	100.0
270.04916	4.0
284.03336	0.5
285.04080	0.5
327.37100	0.3
349.00290	1.1
431.09811	6.0
432.10071	0.7
447.68796	0.2
451.21646	0.8
511.05527	17.7
511.25519	1.1
512.06024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86762	1.6
59.01405	1.6
69.80669	4.7
71.01400	1.9
101.67655	1.4
105.43328	1.4
138.10973	2.0
139.22636	1.4
154.82071	1.6
162.56718	1.7
164.98282	4.3
177.67613	1.5
255.02931	5.7
269.04425	2.8
283.02530	34.0
283.20834	1.5
284.02969	2.5
295.92542	2.0
298.04803	24.9
299.05371	2.6
313.07202	100.0
314.07593	5.7
429.11594	2.4
467.13428	2.5
511.12418	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	511.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95550	0.9
63.02399	1.2
65.00340	3.0
68.99812	1.4
69.05274	6.7
72.25248	0.9
75.02415	2.0
83.01394	2.2
91.01931	1.9
93.03505	1.8
95.01379	2.0
109.02954	1.1
109.66194	1.1
115.01902	2.0
119.01358	4.7
131.01375	1.1
131.95479	1.0
134.00101	1.6
135.00911	6.1
137.02461	2.0
138.65469	1.0
143.01393	2.2
147.00902	1.5
159.00914	3.1
161.99660	1.7
163.00394	24.1
171.04530	4.2
173.06084	1.9
176.01149	5.0
181.06764	1.1
187.00441	5.7
189.99110	5.7
190.99870	13.2
193.06621	1.6
195.08154	1.2
197.06090	1.8
202.99890	2.9
205.06728	2.0
207.04483	1.9
207.08170	2.6
214.99951	1.8
219.08214	1.6
221.06131	3.4
223.07655	3.9
225.05598	3.7
231.08174	1.4
239.07152	3.4
245.06187	1.1
247.07724	3.5
249.05692	3.1
251.07135	3.5
253.04848	1.6
263.07184	3.0
265.05035	2.3
267.06671	42.8
268.07068	2.5
275.07211	2.1
277.05109	1.4
279.03030	5.1
291.06656	7.5
293.04675	2.6
294.05350	4.1
295.06146	100.0
296.06442	6.0
307.06046	2.0
313.08765	1.2
319.06204	12.5
320.06494	1.7
321.04294	1.2
335.05685	1.3
339.04880	1.5
349.02011	1.0
363.05151	7.0
369.11261	2.1
374.05374	1.2
379.13394	1.2
383.09354	5.6
395.13025	2.6
397.10733	7.0
423.12488	11.7
439.11642	2.4
461.54877	1.2
467.11411	8.2
511.10541	14.6
512.10663	1.7
520.69220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43516	0.4
63.02420	0.6
64.73755	0.4
65.00331	1.0
65.61021	0.5
68.99824	28.1
69.59948	1.9
75.02424	0.9
81.03465	0.6
86.74702	0.5
91.01912	0.5
93.03443	0.6
95.01381	1.6
101.03982	11.3
108.02193	0.4
111.77070	0.5
115.05579	1.1
117.03482	2.0
119.01389	0.7
124.22910	0.4
127.05545	1.5
135.00890	2.2
136.98788	0.7
137.02435	1.4
143.05052	0.9
145.06627	1.0
147.04512	0.7
151.93541	0.4
160.98917	0.5
162.99002	0.7
163.00392	13.1
171.04536	100.0
172.04936	2.9
173.06094	6.9
175.99890	0.6
176.01202	1.5
184.02617	0.5
189.99121	0.8
190.99910	5.5
195.08231	1.1
197.06076	1.1
202.99898	0.7
204.00797	0.7
207.08244	0.5
209.06126	0.7
217.01323	0.6
221.06044	0.6
223.07642	1.9
225.05603	2.1
231.08228	0.6
239.07114	1.0
242.08336	2.0
242.31453	0.5
247.07770	1.0
251.07211	2.5
252.06622	0.5
267.06625	23.5
268.06879	1.0
269.04758	0.7
269.28247	0.5
270.07779	3.8
275.07141	1.1
277.05011	0.6
280.06219	1.2
281.04565	0.8
291.06671	1.5
295.06149	60.1
296.06165	4.8
307.06033	1.1
319.06226	2.1
324.05289	0.7
335.05545	0.6
395.12817	0.5
411.12430	1.6
423.12454	16.8
424.12537	1.0
439.11920	7.1
467.11734	1.7
468.14575	0.7
483.10800	0.6
494.12265	0.8
511.11420	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	511.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	3.1
65.99866	5.6
68.99823	16.3
75.02394	2.2
83.01329	1.2
95.01379	2.3
101.03987	3.7
112.26520	1.0
117.03504	2.3
119.01377	1.8
123.00905	1.3
124.31359	1.2
127.05543	1.1
131.01414	2.5
132.02187	4.3
134.88252	1.1
135.00912	3.1
136.61783	1.1
143.01413	4.7
143.05072	1.4
145.02908	2.0
146.02553	1.5
147.00877	1.9
158.59296	1.1
160.01666	7.0
161.02502	1.3
162.99023	1.1
163.00389	24.5
165.01978	2.2
169.06630	4.2
171.03041	2.1
171.04532	41.3
172.01701	1.5
172.04845	1.3
173.06094	4.1
175.99873	1.7
176.01225	1.8
187.00389	28.3
188.01068	2.7
189.99034	1.4
190.01505	2.0
190.99901	8.8
191.01498	1.7
195.08157	1.5
197.06041	1.7
200.01118	7.2
202.99980	2.0
209.06125	2.3
213.05574	3.1
214.99866	4.0
218.00824	1.4
219.08163	2.4
221.06084	2.4
223.07634	5.0
225.05647	2.9
228.00607	1.4
233.06210	1.2
235.07678	2.9
241.07103	1.6
243.06621	1.7
245.06084	1.6
247.07654	3.2
249.05603	4.2
251.07095	8.9
258.00543	1.8
259.00934	2.6
263.07135	6.0
267.06628	26.4
267.09366	1.9
268.06497	1.5
270.07721	2.1
271.06146	4.4
275.07202	2.6
277.05048	3.3
279.08655	1.4
280.06146	2.5
281.06439	2.9
285.39056	1.1
291.06628	40.5
292.07144	3.7
294.07919	2.4
295.06073	51.8
296.06320	3.1
319.06119	50.7
320.06488	3.3
322.07269	2.3
323.07565	3.9
332.06897	1.4
351.13943	2.1
363.04849	5.9
381.11386	15.9
395.12985	2.5
423.12424	100.0
424.12711	7.1
439.12097	4.5
465.12244	1.5
467.11560	6.7
511.12277	54.2
512.13135	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	511.104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64754	0.8
57.73903	0.8
65.00317	1.8
66.38101	0.9
69.82307	3.0
71.63448	0.8
75.02430	0.9
96.91462	0.8
117.03488	1.0
120.99293	1.2
122.24277	0.9
131.01396	1.3
131.05055	1.0
134.00055	1.9
135.00897	1.5
143.04993	1.8
146.00110	1.4
159.00859	3.4
161.80548	0.9
161.99596	2.1
163.00368	6.7
167.42070	0.8
169.06320	0.9
171.04492	3.7
173.99597	1.9
175.00386	2.1
176.01152	1.8
181.06508	1.0
185.02570	1.0
187.00357	1.5
188.98308	1.5
189.05524	1.4
189.99080	5.2
190.99860	4.8
195.08215	1.4
197.06113	2.5
201.99098	1.2
202.99913	12.7
205.06598	1.0
207.08162	1.1
209.06081	1.2
211.34892	0.8
217.98534	1.4
218.99255	1.1
219.08221	1.2
221.06166	1.3
223.07620	1.9
225.05627	2.7
229.98578	1.6
230.99294	3.0
235.07678	1.5
239.07068	1.0
242.08099	1.0
246.98831	1.3
249.05592	2.4
251.07150	1.7
253.05060	1.5
261.05527	1.7
263.07098	2.3
265.05139	2.8
267.06689	16.6
273.00360	0.9
278.05905	1.0
279.06583	3.1
291.06717	5.7
293.04465	1.3
294.05353	2.9
295.06113	21.4
296.05878	3.0
297.03958	1.4
307.06061	8.4
319.06247	1.4
321.03979	1.6
322.04544	1.0
323.05399	2.2
333.04108	1.2
335.05545	3.9
339.05063	1.1
363.04956	3.0
395.12717	2.8
411.12283	3.6
439.11761	5.1
443.73694	0.9
467.11234	1.3
483.10947	5.5
511.10373	100.0
512.10559	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	511.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24205	0.7
57.03432	1.4
59.01391	11.0
61.98841	5.0
66.42778	1.0
69.12031	0.8
69.64468	1.5
71.01393	7.6
72.99318	1.0
73.02959	3.7
77.85563	0.9
78.91906	8.9
78.95931	1.2
79.95745	10.7
80.68587	0.7
80.96518	2.9
84.27500	0.7
85.02946	3.4
89.02456	6.0
95.01398	1.0
96.96023	80.7
99.00893	7.1
101.02454	5.0
109.02937	1.2
113.02462	5.3
118.57440	0.7
119.03512	1.9
119.05035	3.8
123.04523	3.3
131.03587	1.0
135.04520	1.8
137.06099	0.9
139.00333	0.9
143.03551	0.9
152.98611	2.3
161.02481	1.3
163.06149	1.5
167.03500	7.6
179.03403	1.2
179.05624	1.2
209.04523	1.2
210.99196	6.5
291.14029	0.8
299.02213	1.0
311.07846	1.1
370.88748	0.9
379.06952	1.6
424.80994	0.7
475.14700	6.1
511.11295	100.0
512.11536	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	511.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03455	2.4
59.01390	16.3
67.35581	1.5
69.22829	10.5
71.01387	16.3
85.02956	14.3
87.00883	2.0
89.02444	7.8
95.01408	5.3
101.02438	4.6
113.02464	45.6
113.03271	2.5
119.03486	2.4
128.23174	1.6
143.03482	2.4
149.06088	2.2
161.04585	11.3
166.29712	1.7
166.83475	1.8
209.87070	1.7
219.31534	1.7
329.12317	4.3
469.29947	1.8
475.18213	100.0
476.18497	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	511.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70862	1.6
56.91107	1.9
59.01382	11.5
60.99310	13.9
61.88702	1.8
61.98830	2.6
64.33295	1.8
70.49634	4.5
71.01398	9.0
73.02948	3.8
85.02937	3.8
87.00888	4.4
88.98815	100.0
89.02454	66.4
95.68354	1.7
101.02435	7.2
113.02459	4.9
119.05079	4.5
148.90923	2.0
220.28149	2.1
252.82150	2.4
284.30273	2.5
320.90506	2.0
349.20184	3.7
355.13052	2.6
421.21201	2.3
427.03387	2.4
511.10724	2.4
511.17944	5.7
511.25195	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	511.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74145	1.4
59.01387	100.0
61.98825	1.8
69.76904	4.3
73.43151	1.3
96.31203	1.8
96.96032	2.0
97.02993	1.9
100.75166	1.5
107.05012	1.5
109.02991	2.1
119.08698	3.1
121.02975	24.8
135.04539	23.7
136.04730	1.6
149.06126	4.3
163.07683	8.8
182.44391	1.6
186.87372	1.7
211.88644	1.5
229.16054	2.1
250.17540	1.6
253.40198	1.7
273.14984	18.9
329.17542	3.3
451.21271	5.7
476.53665	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	511.2553
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
51.46255	0.6
57.03462	1.2
58.00618	1.3
58.73736	0.6
59.01386	37.3
61.98828	4.0
63.68423	0.6
64.66538	0.7
69.03462	1.7
69.99135	2.1
71.01392	11.9
71.05019	1.5
73.02941	4.9
81.03455	1.4
83.01403	2.1
84.02159	0.6
85.02956	7.5
88.56856	0.7
89.02468	3.3
93.03477	1.3
96.00975	0.7
96.96027	0.9
97.02958	3.7
97.06584	0.9
99.00903	1.3
99.04533	1.8
99.92631	1.2
101.02458	5.1
109.02985	0.8
111.00903	1.9
111.08203	1.0
113.02505	1.7
115.92102	1.0
116.92868	9.1
117.03508	1.5
119.05041	39.9
124.01699	3.2
133.02968	1.4
133.06621	0.9
135.04552	4.4
137.02513	0.9
145.02968	1.1
146.03790	0.8
147.08244	0.8
147.28987	0.8
149.06055	0.7
159.03175	0.9
161.04491	1.3
163.11362	0.7
177.02060	1.1
187.04149	0.8
187.07709	0.7
189.12903	2.0
191.10817	1.0
201.11247	0.8
201.12952	0.8
219.10330	2.1
219.13957	1.7
229.08871	2.1
235.26556	0.7
237.07697	1.5
245.11928	1.2
247.09862	2.8
247.20793	4.4
257.19174	1.4
259.20770	0.8
263.12970	2.3
277.21848	3.1
287.16782	1.6
287.20239	3.3
289.21796	5.1
295.15582	0.9
303.19693	22.6
304.20016	1.0
305.17761	0.9
305.21219	2.5
307.22897	2.9
321.20810	3.2
333.83755	0.8
349.20230	1.2
351.21771	17.0
352.22260	1.3
365.10553	0.8
421.22397	3.3
429.11685	1.1
462.01974	0.8
467.19449	1.2
467.26541	14.5
467.32782	1.0
468.26898	1.0
479.17148	5.6
493.15445	1.1
493.24683	5.1
511.19745	8.4
511.25751	100.0
512.19873	1.3
512.26105	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	511.2553
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
55.01888	7.3
57.03450	7.1
58.00598	1.0
59.01385	61.2
60.61958	0.4
61.81535	0.5
61.98817	0.6
67.01881	0.7
68.68383	0.4
68.99804	0.5
69.03469	1.9
70.75314	0.4
71.01388	85.9
72.01712	0.9
72.99315	1.5
73.02952	30.6
75.00890	1.4
83.01389	14.4
83.05030	0.8
84.02164	0.5
85.02956	44.3
85.06603	0.6
86.00111	0.8
87.00877	3.3
89.02451	20.3
95.01398	7.5
97.02979	1.7
99.00887	10.9
101.02453	61.1
102.02808	0.6
111.00880	0.6
113.02462	36.9
114.02763	0.8
119.03518	8.5
119.05017	1.1
125.02448	1.7
129.01935	1.3
131.03529	0.7
143.03528	2.5
143.79582	0.5
159.03001	5.2
161.04573	17.8
170.31352	0.4
179.05681	1.0
219.17519	0.8
259.20718	1.6
261.22250	51.3
262.13446	0.4
262.22559	3.5
287.20157	4.8
289.21738	1.4
303.23254	0.6
305.21249	46.9
306.21439	2.7
331.19180	9.3
333.20767	2.0
349.20215	49.1
350.20477	3.2
373.65457	0.4
423.27295	0.6
449.25366	1.5
467.26523	85.1
468.26855	6.7
468.32840	0.8
480.17648	0.8
511.25528	100.0
512.25751	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	512.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01432	1.2
65.00347	2.1
65.99854	7.1
66.25327	1.2
68.99820	1.3
69.78654	2.0
81.03467	3.0
83.01405	1.6
84.43153	1.2
87.63628	1.1
99.62134	1.2
106.02986	1.7
110.02474	2.1
118.02937	1.2
120.00968	2.1
120.13256	1.1
123.03262	2.6
124.04047	6.2
134.02464	3.0
135.03276	2.8
136.00403	3.6
136.98764	2.2
142.26715	1.2
144.04591	1.8
145.06557	1.8
146.06107	2.0
147.04446	1.5
148.04074	9.6
149.06526	1.4
150.02008	6.5
151.02748	2.7
160.04037	2.8
162.39217	1.5
164.03592	1.8
166.05006	2.0
170.06062	2.2
171.04530	6.9
172.03995	6.2
173.04752	2.3
175.99907	6.3
188.03552	4.1
190.05110	4.7
191.99382	1.7
192.03059	12.1
202.05048	1.5
214.05070	2.0
215.02188	1.5
216.03046	14.7
218.00958	5.4
219.54424	1.3
224.07356	2.3
226.08768	2.2
229.03764	3.5
230.21385	1.2
234.04021	2.7
236.07175	1.8
238.05135	2.4
240.06744	2.4
241.05016	5.5
242.00948	6.6
242.08243	20.8
250.08955	2.0
252.06674	3.3
258.04166	3.8
260.01874	2.4
268.06137	6.3
268.09805	2.7
270.07739	67.8
271.08035	2.0
274.08728	1.8
278.08289	6.2
280.06146	24.2
292.09790	4.0
294.07730	2.5
296.05640	25.0
296.09250	13.1
302.08359	2.8
304.06357	2.0
318.07770	1.6
320.09290	31.8
322.07224	8.9
324.05212	5.2
336.08765	1.5
338.10278	2.7
340.08316	6.1
346.07175	11.0
362.10370	8.9
364.08313	49.9
365.08664	4.1
378.09775	2.6
406.09363	100.0
407.09509	5.5
450.13531	1.6
494.12567	14.8
512.13513	30.9
513.13617	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	512.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22806	1.1
65.00327	3.4
66.34361	1.0
68.99818	1.0
71.01391	1.1
87.78562	1.1
92.53109	1.0
96.00939	2.4
96.36076	1.0
107.01330	1.0
108.00957	1.3
109.01735	1.5
136.00414	17.1
145.06616	4.2
151.00352	4.7
151.13861	1.2
155.05067	3.5
163.99907	15.6
165.00679	5.0
167.05029	25.7
170.06091	1.3
171.04565	2.6
173.06102	3.4
180.08107	2.1
183.04510	13.5
211.04039	11.1
213.05589	3.5
220.04132	2.1
224.07199	1.6
238.05357	1.4
240.06660	5.4
243.06670	1.7
253.09297	2.8
255.06647	24.1
256.06366	1.9
268.06152	38.0
269.06885	4.3
270.07678	2.6
277.21768	15.2
280.06076	1.6
294.05325	1.6
296.06070	3.5
307.06064	1.2
324.41827	1.1
405.77176	1.3
412.12042	1.5
424.12460	3.2
440.12296	2.5
468.11313	1.5
480.10928	100.0
481.11215	8.8
512.13348	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	512.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24873	1.0
56.73646	1.3
59.01392	5.5
60.06893	1.0
61.98829	2.7
69.19455	5.1
69.19859	2.5
71.01391	3.0
71.41711	1.1
83.01366	1.6
91.08051	1.1
93.41436	1.0
95.05049	1.4
96.96028	20.5
98.21847	2.3
101.02438	1.6
110.06118	6.6
113.02557	1.8
114.05631	1.7
118.00962	1.0
119.05003	1.7
121.05357	4.8
122.06138	10.6
131.01523	1.1
133.02953	2.3
135.04536	1.4
144.04562	20.9
145.05385	2.1
146.06140	1.5
158.06238	1.7
160.04068	3.0
162.05621	4.0
172.04083	8.9
173.04782	4.9
174.05612	3.1
177.01982	1.0
188.03568	1.4
203.05914	5.0
204.06676	12.6
211.08916	1.2
225.06799	1.5
227.11832	1.5
236.09485	2.9
237.10388	7.0
238.08713	1.4
239.08249	3.6
240.08913	1.3
251.11969	5.7
252.10341	1.4
252.12733	4.9
253.06209	3.4
253.09851	4.9
255.11333	2.1
267.07770	4.8
267.11356	2.4
268.08542	3.4
268.12204	3.5
278.10730	1.8
279.08417	1.6
280.08609	2.6
281.09326	15.1
295.10956	10.4
296.11661	30.2
297.12384	1.4
311.10498	3.2
313.11990	1.8
325.11743	1.5
328.10663	7.7
340.10239	1.9
361.03217	1.2
371.11429	2.2
374.18860	2.3
406.17810	5.3
418.17780	22.7
419.17975	1.7
436.18784	26.3
437.19135	2.4
450.20383	3.9
462.16797	6.8
480.17841	100.0
481.18195	9.6
494.19269	2.7
512.20392	39.5
513.20654	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	512.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24873	1.0
56.73646	1.3
59.01392	5.5
60.06893	1.0
61.98829	2.7
69.19455	5.1
69.19859	2.5
71.01391	3.0
71.41711	1.1
83.01366	1.6
91.08051	1.1
93.41436	1.0
95.05049	1.4
96.96028	20.5
98.21847	2.3
101.02438	1.6
110.06118	6.6
113.02557	1.8
114.05631	1.7
118.00962	1.0
119.05003	1.7
121.05357	4.8
122.06138	10.6
131.01523	1.1
133.02953	2.3
135.04536	1.4
144.04562	20.9
145.05385	2.1
146.06140	1.5
158.06238	1.7
160.04068	3.0
162.05621	4.0
172.04083	8.9
173.04782	4.9
174.05612	3.1
177.01982	1.0
188.03568	1.4
203.05914	5.0
204.06676	12.6
211.08916	1.2
225.06799	1.5
227.11832	1.5
236.09485	2.9
237.10388	7.0
238.08713	1.4
239.08249	3.6
240.08913	1.3
251.11969	5.7
252.10341	1.4
252.12733	4.9
253.06209	3.4
253.09851	4.9
255.11333	2.1
267.07770	4.8
267.11356	2.4
268.08542	3.4
268.12204	3.5
278.10730	1.8
279.08417	1.6
280.08609	2.6
281.09326	15.1
295.10956	10.4
296.11661	30.2
297.12384	1.4
311.10498	3.2
313.11990	1.8
325.11743	1.5
328.10663	7.7
340.10239	1.9
361.03217	1.2
371.11429	2.2
374.18860	2.3
406.17810	5.3
418.17780	22.7
419.17975	1.7
436.18784	26.3
437.19135	2.4
450.20383	3.9
462.16797	6.8
480.17841	100.0
481.18195	9.6
494.19269	2.7
512.20392	39.5
513.20654	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	512.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04564	0.8
59.01384	2.9
60.04250	0.8
61.98836	100.0
63.66397	1.0
69.26306	1.6
69.26710	4.0
73.83700	0.8
98.22706	1.6
122.02502	7.2
123.34038	0.8
136.04041	1.4
374.54425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98460	1.0
61.98837	100.0
63.94187	1.0
67.31378	0.9
69.07748	2.0
69.08150	6.6
98.22629	2.2
102.67567	1.1
107.81553	1.0
115.51066	1.1
119.05064	3.0
122.02357	1.1
126.18945	1.1
133.28224	1.1
209.11909	1.7
267.76627	1.2
284.03268	1.6
301.03070	1.4
462.11014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97109	0.8
59.01385	100.0
60.01697	1.0
61.46653	0.9
61.98844	6.0
67.44446	0.8
69.12735	5.3
74.85825	0.8
78.03501	2.6
81.03491	0.9
98.21873	1.3
98.23573	0.8
107.05077	1.2
108.04561	3.1
109.02968	6.8
110.73795	0.8
117.03490	1.9
118.05591	0.8
119.05007	4.3
119.08681	6.3
122.02497	60.9
123.02824	1.7
125.02430	2.0
135.04518	3.2
136.04060	74.0
137.04442	1.3
150.05624	28.7
156.50076	0.9
161.02467	1.9
162.02841	0.9
163.07666	19.6
175.51305	0.7
178.05096	16.8
178.06476	1.5
194.87082	0.9
215.10876	1.4
229.16042	3.0
243.13995	1.4
255.13899	5.2
270.44464	0.8
273.14993	39.8
274.15393	1.7
284.03241	4.6
329.14212	1.1
329.17514	5.2
378.17154	1.5
409.65320	0.9
413.20651	0.9
427.13797	1.0
452.20773	7.3
505.67139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.26068	4.5
78.03501	2.1
97.06577	1.5
98.22623	1.6
104.05113	1.2
108.02164	1.2
108.04570	4.5
109.02953	5.4
119.08685	6.8
122.02489	58.6
122.33355	0.9
125.02453	3.5
135.03314	0.8
136.04050	94.3
137.04419	1.7
140.93047	0.9
150.05617	35.1
153.74202	0.9
163.07663	20.0
163.08969	1.6
178.05101	17.2
178.06386	0.9
194.83485	1.0
215.10831	2.0
229.15962	2.6
255.13953	4.3
273.14984	36.0
274.15387	1.8
301.77802	0.9
320.14130	0.9
329.17664	5.6
378.17374	1.1
452.20807	8.1
456.30933	0.8
529.54877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60832	2.1
53.50938	2.0
59.01385	100.0
61.98834	36.2
68.99799	2.3
69.61250	4.1
69.61634	5.8
83.96539	2.4
85.37498	2.2
108.04558	2.4
109.02994	2.9
119.05062	4.2
119.08694	3.2
122.02496	54.4
125.02433	3.1
125.75355	2.4
135.04561	3.3
136.04062	65.8
148.42494	2.3
150.05637	19.5
151.28578	2.0
163.07671	11.2
178.05078	10.8
255.13907	5.5
273.14993	29.6
284.03314	6.6
292.88712	2.3
300.02585	5.7
301.03091	4.5
327.19632	2.4
329.17386	3.0
452.20932	4.5
461.19955	2.8
513.17548	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	512.233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02505	1.6
58.99601	4.1
59.01385	39.1
61.98829	7.7
65.00304	2.3
69.03478	2.6
70.03001	3.0
71.01382	7.6
71.43595	2.1
73.02938	2.3
78.95938	2.1
81.03481	2.1
82.02979	1.9
83.01405	2.8
83.05009	3.3
84.42326	1.6
87.99896	1.6
88.04050	11.8
93.03448	1.9
95.01405	2.2
95.05038	4.5
96.04600	1.8
97.02963	3.0
97.06605	3.0
98.02489	7.9
101.00671	2.1
101.02466	4.0
106.96490	1.7
113.02415	3.1
113.04341	12.0
117.03445	2.8
119.05041	15.5
120.05332	2.2
122.02473	3.7
123.04519	4.5
123.08118	2.1
124.04121	2.1
125.09681	2.4
126.05604	11.6
129.00156	4.5
133.02980	47.4
134.03841	2.0
135.04572	9.5
137.09749	3.5
140.03075	1.7
145.00493	1.7
148.05257	2.9
149.06081	3.0
151.07642	2.0
159.04434	2.2
163.11287	7.1
165.12807	3.6
169.06940	5.3
170.04616	40.9
171.04907	2.1
171.10278	8.8
173.06087	1.8
181.12381	2.1
185.11841	7.4
187.07613	3.7
191.14455	9.0
201.05611	1.9
202.06371	2.5
203.10826	11.2
204.03377	10.3
207.10342	3.5
209.11693	3.6
212.08774	1.8
213.09232	2.1
221.11894	7.0
225.11264	3.1
227.12988	2.2
229.08952	2.3
231.10307	19.3
238.12080	2.8
239.12878	5.1
245.11478	1.9
245.19124	14.5
249.14857	1.9
254.09802	1.8
266.05750	1.9
271.16965	3.3
272.10904	6.8
280.10165	1.9
289.14926	3.4
289.18127	48.8
291.19614	3.6
300.02771	3.3
301.03323	1.9
307.19174	39.1
308.19522	2.1
309.20706	3.0
311.05444	4.0
323.16861	33.8
324.17142	2.6
337.07278	4.3
341.17923	100.0
342.18256	5.8
348.08691	4.6
353.10187	10.4
375.06870	1.8
376.11993	2.8
398.10321	3.1
423.10791	5.8
436.13678	4.4
440.13565	29.0
441.13638	2.3
453.25198	3.3
471.25937	4.1
480.12863	2.3
495.16544	4.8
512.15619	46.1
512.23248	35.4
513.16882	5.5
513.27374	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	513.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	21.5
61.06443	2.7
61.98836	9.6
65.00327	3.5
69.34748	15.3
70.33345	2.7
71.01391	4.0
73.02939	3.8
78.95947	4.0
93.52673	2.4
97.06593	2.9
98.21915	5.4
110.00103	7.1
117.03460	9.4
118.28497	2.9
119.05032	7.4
122.02499	37.4
123.04486	3.4
133.02995	3.1
134.03764	5.7
135.04535	24.6
136.98766	3.7
148.05351	18.4
149.06102	2.8
153.01920	3.5
161.02444	4.8
163.00374	3.1
164.98224	3.5
165.05516	3.1
165.99042	7.7
173.06085	3.3
174.06871	8.6
182.02258	4.5
187.07709	7.0
203.10802	65.5
211.13515	3.2
213.09262	6.9
215.07176	3.5
231.10284	100.0
232.10626	3.0
237.07791	3.8
245.11853	4.1
277.14532	5.4
283.02579	8.1
284.03271	38.5
301.03461	4.6
302.04156	3.6
307.06238	4.5
334.11172	2.6
337.07193	3.5
380.09006	3.2
397.09561	4.4
398.10080	8.2
416.11560	4.8
436.06091	3.4
469.19522	3.1
495.16592	15.2
513.17352	20.3
513.27112	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	513.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71838	1.1
59.01385	100.0
61.98809	1.3
63.20589	1.1
69.29245	5.5
78.95906	16.4
79.91179	1.2
98.21900	2.0
110.00149	1.7
115.81351	1.1
119.05004	1.1
121.02972	69.1
122.03319	1.8
134.03647	1.6
135.04520	3.3
138.85118	1.3
153.03201	4.1
190.90831	1.7
201.15755	1.3
209.09547	6.9
214.98790	3.7
252.86391	1.5
338.71384	1.3
382.99951	3.6
386.11465	1.3
416.11118	2.0
446.01291	1.3
453.22873	6.0
534.44043	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2706
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
53.41351	0.7
55.01886	3.3
59.01382	32.7
61.98815	1.3
69.50870	1.9
69.51263	0.9
71.01386	28.4
72.99322	0.7
73.02952	10.8
80.91671	1.3
81.03452	0.7
83.01408	6.0
85.02469	1.2
85.02961	18.2
86.00091	1.4
87.00873	1.7
89.02464	7.9
89.89227	0.6
89.89787	0.6
93.60384	0.7
95.01398	3.0
96.96016	1.2
97.02956	0.9
99.00920	3.1
101.02448	23.6
107.01422	0.7
107.99073	0.6
110.64717	0.6
111.00880	1.6
113.02464	11.7
113.76800	0.5
119.03519	3.4
125.02452	0.7
143.03482	0.9
159.02953	1.8
161.04558	5.2
217.32927	0.7
233.46120	0.7
269.04581	12.3
431.09839	7.1
469.28082	3.1
513.27069	100.0
514.27429	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	513.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.0
57.02557	0.5
57.03477	9.0
59.01386	61.7
65.33646	0.6
69.03474	3.0
69.06136	2.3
69.06567	2.5
71.01389	100.0
72.99303	1.6
73.02953	32.6
75.00867	0.8
81.03496	0.9
83.01391	10.1
83.05037	1.7
84.02186	1.0
85.02960	48.2
87.00878	3.3
89.02450	31.7
89.03021	0.9
95.01393	8.3
97.02985	1.8
99.00893	10.2
101.02454	68.2
109.06597	1.1
111.08172	1.5
113.02461	45.5
114.02774	0.9
119.03514	17.4
125.02471	2.9
129.01930	1.6
131.03506	1.5
143.03526	5.4
143.04562	1.0
149.04593	1.4
153.12926	0.9
158.29713	0.8
159.03017	11.2
161.04570	47.4
162.04919	0.8
169.10181	0.7
172.37486	0.7
179.05643	5.0
179.58231	0.6
180.66270	0.6
183.13916	0.7
191.14369	1.2
203.14394	1.6
225.84000	0.6
261.22391	1.3
269.04544	1.0
273.18555	4.4
275.20224	0.7
277.21768	1.9
289.21652	1.0
291.23318	1.3
307.22849	6.7
351.21790	34.6
352.22134	2.1
372.97714	0.7
399.69385	0.7
430.01517	0.8
451.27139	6.8
469.28131	14.0
470.28488	1.5
513.27094	75.8
514.27570	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	7.7
57.03479	7.6
58.00607	3.6
59.01387	68.5
67.01881	1.3
69.45676	5.8
71.01389	100.0
72.99345	1.6
73.02955	31.1
75.00877	2.7
80.96535	1.9
83.01403	13.2
85.02963	53.1
87.00884	3.3
89.02458	34.9
95.01394	9.9
97.02980	3.2
99.00892	11.7
101.02453	66.8
113.02467	44.8
119.03533	15.3
125.02444	2.3
129.01939	2.6
131.03552	3.2
137.02467	4.5
143.03537	6.4
159.03008	7.8
161.04587	43.9
162.04868	2.0
179.05690	3.1
187.07704	4.2
189.12929	3.2
201.12869	2.0
202.06323	2.1
219.13974	4.9
231.10353	2.2
275.20145	6.1
289.21753	2.6
291.22934	1.6
305.21240	6.8
307.22729	15.0
333.20590	1.7
351.21783	22.1
434.94891	1.8
435.52505	1.8
441.97574	1.8
469.28131	17.1
498.37952	1.8
513.20087	2.2
513.27087	46.7
514.27820	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	513.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
55.87139	0.9
57.03462	11.4
58.00587	2.0
59.01386	100.0
71.01390	63.2
72.99311	1.8
73.02960	10.4
75.00896	0.8
83.01391	5.7
85.02959	20.3
87.00893	2.2
89.02457	61.4
95.01391	4.2
97.02981	1.2
99.00905	2.0
101.02456	40.9
113.02462	29.8
113.03256	1.4
119.03515	28.4
125.02418	1.6
131.03526	3.2
143.03490	3.9
149.04527	1.7
159.02953	2.2
161.04584	15.3
179.05661	9.2
187.79340	0.8
255.43602	0.8
269.04581	2.7
307.22849	4.9
333.20566	2.5
343.20343	0.9
351.21936	5.7
513.20343	1.4
513.27069	32.2
514.27246	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	513.2715
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
51.40316	0.8
59.01385	100.0
61.98834	2.0
69.03462	1.0
70.55584	2.0
71.01383	12.0
73.02954	17.6
81.03452	1.4
83.01395	3.9
85.02946	3.1
87.00898	1.1
89.02448	2.9
92.53565	0.8
95.01443	1.0
99.00869	1.2
99.04526	2.9
101.02444	12.3
111.08154	2.5
113.02470	4.2
117.03458	1.1
119.03526	1.7
119.05035	1.4
119.08681	0.9
122.02512	7.3
122.82394	0.8
135.04501	2.6
137.02544	1.1
161.02448	1.1
161.04601	1.6
171.10310	4.1
187.07738	1.3
193.92821	0.9
231.10213	3.3
239.12666	1.6
247.20827	1.9
249.18575	5.2
256.43820	0.9
273.18640	0.9
291.19678	5.2
309.20636	2.6
417.87115	0.9
428.20590	1.5
453.25183	2.4
471.26028	2.9
495.16724	2.8
495.26181	8.0
513.27069	91.7
514.27753	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53610	0.2
55.01880	0.3
56.57129	0.2
56.58779	0.2
59.01382	9.1
71.01389	5.2
73.02947	1.1
83.01408	0.4
83.05050	0.3
85.02946	1.5
87.00888	0.4
89.02458	3.8
95.01400	0.6
98.22678	0.6
99.00860	0.3
101.02450	4.8
113.02467	2.4
119.03510	1.2
133.05092	0.4
136.00395	0.4
143.03554	0.3
161.04599	2.0
161.57796	0.2
163.99951	0.3
167.04987	0.6
179.05661	0.6
185.39966	0.2
197.59991	0.3
209.65225	0.2
227.01170	0.3
235.08238	1.0
253.09306	16.4
254.09816	0.3
255.06711	0.3
256.06995	0.5
259.20679	0.3
268.06250	0.4
269.06540	0.8
277.21744	100.0
278.22052	4.6
420.58298	0.3
440.30231	0.3
481.11194	2.8
513.13861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20659	0.2
55.01870	0.3
59.01384	7.8
63.89269	0.2
71.01385	4.8
72.99334	0.2
73.02973	1.1
73.03316	0.2
78.95931	0.7
79.39836	0.2
83.01393	0.6
85.02958	1.1
87.00893	0.5
89.02457	4.1
95.01405	0.5
95.84794	0.2
99.00897	0.3
101.02454	4.5
113.02451	1.8
117.97589	0.2
119.03541	1.1
121.94342	0.2
125.02463	0.3
133.05074	0.3
143.03470	0.2
152.99602	1.3
157.05157	0.2
161.04579	2.1
173.66948	0.2
179.05640	0.7
180.69598	0.2
182.13162	0.2
233.22778	0.3
235.08188	1.1
253.09303	16.4
254.09705	0.5
259.20773	0.3
275.20319	0.2
277.21741	100.0
278.22098	5.2
305.01053	0.2
431.21982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3106
Annotation	Daechuine S7
Peak:m/z	Relative Intensity
69.65366	8.8
79.95746	13.7
96.96024	79.4
98.22248	7.7
122.97504	3.1
130.05739	2.5
137.21461	2.8
151.08112	2.6
185.29027	2.9
214.54874	2.6
297.19257	2.6
298.58755	2.9
403.71759	2.7
496.25546	2.6
513.31061	100.0
514.31110	7.1
529.53119	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	513.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	2.5
59.57049	0.7
66.28669	0.7
69.21828	0.8
69.99259	1.6
69.99588	1.3
90.88170	0.8
284.36307	1.0
320.58051	0.9
327.44128	1.0
449.36713	0.9
455.35339	70.5
456.35760	4.5
495.34290	1.3
513.30640	100.0
514.30811	7.7
537.33594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3589
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
52.35413	1.4
59.01390	13.0
62.00716	1.2
71.05017	1.9
78.78942	1.3
98.22647	5.4
99.01583	1.6
131.40077	1.8
147.10930	1.4
267.41718	1.7
435.67365	1.5
455.35284	20.4
456.36243	1.9
467.34784	1.8
495.35190	10.1
513.36505	100.0
514.36304	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	514.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26636	0.7
64.01935	1.0
64.36051	0.7
65.00321	0.7
65.99860	11.5
70.35863	1.0
70.36166	0.8
74.36076	0.7
79.48909	0.6
81.03471	1.3
82.02991	1.8
83.01404	5.3
94.02975	1.3
108.00950	1.4
108.02194	1.4
120.00887	1.7
123.00905	1.7
124.01671	7.3
125.03610	0.7
132.00945	0.9
133.01729	1.0
134.02446	0.8
136.04063	1.2
145.06508	0.8
146.02501	2.5
146.03627	1.1
159.04538	0.7
160.04050	1.7
162.01965	3.6
163.99904	1.3
164.03586	1.4
169.06664	1.1
171.04559	4.8
172.05353	4.5
175.99925	9.5
176.03450	1.3
176.72803	0.7
181.06668	1.0
187.04059	2.7
187.07651	2.0
188.04828	1.3
189.00697	1.2
190.01477	6.0
191.99388	2.3
203.02255	1.7
204.03027	3.1
206.09729	1.7
208.07684	1.3
209.06171	1.1
210.05553	0.7
215.03583	0.7
216.04321	14.0
217.03970	1.1
218.00978	1.1
224.07195	1.1
225.05490	0.8
226.05211	1.1
231.98517	0.8
232.02512	4.6
238.05144	1.7
240.06644	1.4
242.08292	3.8
245.03253	1.4
250.08800	0.9
251.05771	0.8
252.06674	4.9
257.08209	1.6
260.01947	0.8
266.08179	3.5
268.06165	3.0
269.04547	1.7
269.07193	0.8
270.07751	13.0
280.06168	34.6
281.06348	1.3
285.04160	2.4
294.07758	24.4
295.08121	0.9
296.05664	15.9
296.08722	1.4
308.09296	4.4
312.08813	0.9
320.05606	1.3
326.10345	0.7
336.08783	39.1
337.09082	2.7
352.11920	39.1
353.12192	2.2
364.08368	2.5
366.06180	15.5
367.06592	0.9
380.07330	1.5
408.07266	100.0
409.07645	7.1
411.75864	0.7
424.11890	1.9
496.10800	2.1
514.11328	16.9
515.12030	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98854	4.2
64.01932	7.1
65.00340	7.1
65.99857	89.4
70.60847	3.5
71.06631	3.5
73.07290	3.4
74.97074	3.8
76.73038	3.6
88.01945	4.9
89.99852	8.0
93.03474	16.3
108.00912	8.2
110.13614	4.1
117.03454	4.4
119.00140	50.0
119.05038	100.0
120.00933	15.3
131.05061	4.8
132.00949	4.5
133.01714	7.9
134.99690	7.1
136.00439	10.8
136.98863	3.7
144.52448	4.2
146.99686	23.1
148.00421	9.0
163.99924	7.8
171.04488	6.5
174.99132	43.8
175.99911	88.1
189.00638	14.9
190.01460	8.3
190.98691	4.8
191.99405	9.1
202.01466	20.0
202.98557	6.4
203.99393	6.1
207.01692	8.7
213.05431	4.6
234.00406	8.4
234.05591	5.5
235.01323	5.8
238.04987	7.2
241.05002	5.8
242.08174	4.5
250.05109	5.1
262.05115	7.6
263.00735	16.9
264.69986	4.4
266.04535	9.6
267.05356	8.0
268.06149	5.5
269.04477	22.2
270.07782	14.1
278.04651	8.7
280.06180	5.7
284.05719	5.4
290.04596	20.5
291.05252	5.9
294.03915	21.2
295.04782	44.9
296.05652	65.9
306.04086	14.2
308.05743	5.1
311.04520	14.0
312.71310	4.4
318.04105	6.9
323.04666	6.7
334.03613	10.7
338.06204	4.4
338.95901	4.3
350.06674	18.5
354.06122	8.0
362.03186	8.8
383.06485	85.4
384.06921	4.9
410.10471	20.1
438.10089	22.0
454.09183	11.0
455.10214	7.0
470.12665	25.5
482.08789	93.7
483.09692	6.7
514.11761	12.3
536.36053	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	514.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20568	1.3
50.61909	1.2
51.28381	1.3
65.00327	9.9
65.99858	1.9
68.99823	3.0
69.06682	4.7
69.07085	4.0
81.03453	2.7
92.99821	3.3
93.03449	4.0
94.00116	1.4
96.04574	1.5
96.99334	2.8
97.02927	1.7
117.03496	4.8
118.46433	1.6
119.05036	50.6
120.04569	3.9
120.99323	1.8
122.02517	2.9
133.03003	1.6
136.00389	1.3
136.98808	8.9
138.01974	1.8
139.00360	2.1
142.03003	4.8
143.05037	3.4
145.02980	13.0
146.02513	2.2
151.02800	1.5
157.06673	1.6
158.02528	2.2
160.04108	7.2
162.01981	1.9
164.03558	9.9
164.98285	14.6
165.98680	2.5
169.06540	2.9
171.04489	11.8
172.03935	1.7
173.06126	3.4
186.02003	11.4
188.03549	7.5
190.01503	3.6
192.97780	4.8
193.98102	2.0
197.06152	3.5
199.02618	1.9
200.03549	1.9
201.04324	1.9
214.01494	6.1
216.03087	4.2
225.05609	2.1
226.05881	4.5
240.03210	2.4
240.06523	1.8
241.05122	1.9
242.08188	10.1
243.06682	3.7
244.07050	3.3
245.08089	2.6
248.07198	2.4
250.08752	3.5
253.05241	1.8
254.05458	2.7
262.08896	2.1
264.06723	2.3
264.10355	2.6
266.08304	3.8
268.06161	3.8
269.04547	38.0
269.07434	1.9
270.04910	13.0
270.07779	8.7
271.05960	2.8
272.06543	3.9
286.07019	1.9
290.08337	13.2
292.09818	31.8
293.10226	1.9
294.07697	6.2
297.04181	4.7
298.04416	8.7
306.07617	1.9
310.07239	13.4
316.61624	1.7
318.07697	37.0
319.08099	2.5
320.05838	3.0
325.03561	15.1
326.03882	19.3
334.07312	4.0
336.08826	3.5
344.09238	7.8
350.10596	2.6
362.06665	3.0
368.11429	5.9
396.12476	10.1
438.13470	84.4
439.14105	7.7
470.12488	3.0
482.12527	35.1
483.12579	2.3
496.11304	1.7
514.15137	100.0
515.15607	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	514.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
60.39649	1.2
60.74970	1.2
65.00328	18.3
67.01874	2.2
68.99814	1.6
81.03462	2.9
83.01400	1.3
90.27071	1.2
92.99826	5.0
93.03484	3.6
96.99323	4.6
97.02962	9.3
108.06938	1.3
110.00082	1.7
110.02506	1.5
111.00883	1.7
117.03453	3.6
119.05034	38.4
120.04572	1.8
120.05371	1.4
120.99345	1.9
122.02487	4.7
132.04539	2.1
134.02527	1.6
135.03316	1.2
136.98824	12.9
139.03947	1.7
142.02997	4.2
143.05028	2.9
144.04591	2.9
145.02953	12.0
146.02431	2.9
158.02399	2.0
159.03242	2.2
160.04036	4.5
161.02467	1.4
162.01997	2.3
163.00513	1.4
164.03571	7.5
164.98302	37.9
164.99631	2.5
169.06668	1.9
170.02541	2.3
171.04553	10.3
173.06065	2.2
185.06136	1.4
186.01978	9.4
188.03546	6.8
190.01486	3.6
193.98135	1.8
197.06094	2.1
199.02615	2.0
199.04202	1.8
200.03621	2.0
213.05656	2.1
214.01527	4.4
216.02934	1.9
224.07034	1.5
225.05737	2.5
226.05739	1.5
241.05072	5.3
242.08221	9.0
243.06670	2.0
245.08224	11.0
250.08765	3.9
252.06709	1.4
253.05130	1.6
264.06677	1.6
264.10278	2.5
266.08170	2.4
267.06573	1.6
268.06406	1.6
269.04556	91.0
270.04993	8.6
270.07739	4.4
272.06766	2.3
274.08765	1.6
290.08212	12.4
292.06592	2.6
292.09796	24.6
293.10040	1.5
294.07709	1.9
297.04095	4.9
298.04379	5.3
306.07834	2.4
310.07214	12.9
318.07724	32.7
319.08203	2.5
320.05829	2.2
325.03622	9.1
326.03940	11.1
334.07217	3.4
336.08777	3.2
344.09189	7.9
352.11826	3.3
368.11496	6.8
379.35519	1.4
396.12317	9.0
438.13486	73.1
439.13974	7.9
482.12567	27.6
483.12802	2.9
486.12784	2.6
496.11264	1.7
514.15143	100.0
515.15729	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	514.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	81.8
60.69055	2.0
61.79232	2.0
61.98798	3.1
62.40213	1.7
69.35056	3.6
69.35466	7.3
70.87186	1.7
71.01389	37.3
72.99312	4.6
73.02948	6.6
78.95895	4.6
82.94614	1.9
83.01389	5.0
84.94320	31.6
85.02956	8.0
85.22111	1.7
85.94659	2.1
86.94022	9.7
87.00882	8.9
89.02454	49.9
95.01394	3.8
98.21871	4.6
101.02444	28.6
110.42349	1.8
113.02468	24.9
119.03516	17.7
122.36192	1.9
126.93613	2.4
128.93341	25.0
129.93640	3.3
130.08754	100.0
130.93008	8.3
131.03529	3.9
131.04581	4.0
131.08258	5.3
131.09154	2.4
143.03479	8.4
149.04527	4.0
150.04192	6.0
156.23196	1.9
161.04552	9.8
173.10434	4.1
179.05615	15.4
183.99207	3.2
214.02423	2.8
221.06633	3.8
323.09857	25.7
340.03305	2.1
341.10886	58.2
383.02322	2.3
383.11942	59.4
416.24615	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	514.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50039	0.8
59.01384	11.8
60.65055	0.8
69.35047	1.6
69.35448	3.2
71.01389	30.6
71.05023	11.7
72.99290	1.2
73.02953	1.6
74.24199	0.8
84.62363	0.9
85.02954	7.3
88.04046	64.5
89.02441	7.0
96.96012	1.1
98.21916	1.8
99.04513	2.8
101.02454	5.4
103.03965	0.9
113.02476	5.3
115.04004	1.2
116.07172	1.3
116.95509	1.0
119.03525	2.9
121.98906	0.9
133.05069	3.9
133.85040	1.0
139.00328	1.1
143.03496	0.9
146.08241	39.0
146.09392	2.0
151.06133	3.6
161.04625	1.1
175.06082	2.5
179.05620	2.2
193.03595	1.5
204.66902	1.2
213.01918	1.0
218.10336	100.0
219.10695	2.5
227.03499	1.9
295.10349	12.4
299.01941	2.7
313.11456	14.5
314.11703	1.1
367.12497	2.1
478.16370	2.2
510.35730	0.9
514.21759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64907	0.4
59.01389	3.1
61.98836	100.0
71.01402	2.1
73.02948	1.0
83.01441	0.4
85.02956	0.9
87.99284	0.3
89.02476	0.5
99.00916	0.4
99.87456	0.3
101.02470	1.3
113.02480	1.2
119.05045	0.8
122.02503	2.3
135.04527	0.7
161.04585	0.6
166.23735	0.3
176.49139	0.4
199.22699	0.4
269.04700	1.2
270.04935	3.4
271.05249	0.7
272.05615	0.7
352.22238	0.5
445.09924	0.4
514.06116	0.8
514.27551	2.6
515.28601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	37.1
61.98832	4.3
85.66496	1.6
105.18972	1.4
119.04974	1.9
122.02498	100.0
130.96162	1.6
135.04552	1.7
165.28734	1.6
284.03171	5.2
285.03607	3.3
306.83749	1.5
327.07669	1.8
335.11740	1.6
496.15225	1.6
496.23462	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	514.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06400	0.9
58.86361	0.9
59.01385	35.0
61.98829	3.2
69.03452	1.6
69.73945	3.5
71.01388	2.0
71.05028	4.8
73.02939	2.3
78.03513	2.0
78.18198	1.0
81.03464	32.1
84.02167	9.7
89.02460	1.1
91.01404	0.9
96.00931	1.3
98.02500	1.2
98.22650	2.1
99.04536	42.7
101.02493	1.2
104.46502	1.0
119.05037	2.2
122.02502	100.0
128.04825	3.6
130.08737	1.5
134.51216	1.1
135.04559	1.7
157.65622	0.9
201.52991	1.0
277.14413	1.4
323.16190	1.8
324.16495	3.1
325.16635	1.1
428.20825	26.7
470.21945	10.9
472.25778	1.0
484.23132	5.5
496.17334	1.1
514.24231	19.1
515.28589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	47.3
61.98840	10.4
69.72489	1.4
69.72878	1.5
78.03513	0.9
78.18604	0.7
78.95940	0.7
80.35170	0.5
83.99261	0.5
99.61152	0.6
110.00164	0.7
117.03513	0.9
119.05024	1.2
121.81249	0.6
122.02499	100.0
123.02838	2.3
135.04613	1.2
187.07753	0.6
195.12413	0.7
284.03320	1.6
285.03726	1.9
454.22415	2.8
496.17114	0.7
514.18176	0.7
515.19177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02874	0.7
53.97540	0.5
59.01386	100.0
61.98842	1.8
69.17575	2.6
71.01397	1.6
73.02576	0.6
73.02946	3.1
78.03513	0.7
79.01747	0.6
83.02495	1.0
85.02965	0.8
89.02460	0.8
93.03497	0.9
97.06588	0.7
98.21944	1.2
101.02449	2.2
110.00110	1.1
113.02529	0.9
117.03504	1.9
119.05065	2.1
122.02502	45.0
123.04523	0.7
133.02986	0.9
134.03815	2.0
135.04547	4.9
137.02567	0.7
159.04552	0.8
161.02470	0.9
163.07750	0.6
165.99243	0.7
171.10260	1.2
183.04622	0.8
187.07727	1.8
188.08046	1.8
202.06270	1.1
203.03519	1.2
203.06789	0.8
203.10774	0.9
219.05377	0.6
231.10365	2.4
232.10678	2.2
245.12047	0.6
277.14478	1.0
284.03409	1.2
292.20166	1.1
309.20526	0.9
313.31021	0.6
343.19293	0.7
353.10556	0.8
394.77805	0.6
399.10712	1.3
416.11041	1.0
417.11664	2.8
454.22110	4.6
472.26776	0.9
473.27698	0.9
483.16528	1.0
496.17267	1.9
514.18567	1.8
514.27557	5.3
515.28864	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	514.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	33.5
61.98833	2.6
62.79434	0.9
69.03465	2.1
69.53049	4.8
71.05028	4.1
81.03470	30.4
82.13474	0.9
84.02161	8.4
98.03752	1.2
98.22592	1.9
99.04531	38.8
99.52415	1.0
101.02446	1.5
110.03756	1.1
118.78033	1.0
119.05031	2.5
120.20461	1.1
122.02497	100.0
123.02805	2.3
128.04823	3.4
135.04585	1.3
160.84254	1.4
165.05450	1.1
166.02646	0.9
196.49686	0.9
199.13249	0.9
209.11815	1.0
210.57555	1.0
264.04953	1.1
271.65942	1.0
389.46204	1.1
428.20874	21.5
429.21118	1.7
469.34827	1.0
470.21872	8.1
484.00943	1.2
484.23248	6.7
514.24500	16.0
515.28577	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98836	100.0
70.58723	0.2
74.50455	0.2
79.30728	0.1
79.60383	0.2
121.48212	0.2
131.63751	0.1
194.63463	0.2
213.26526	0.2
234.32698	0.2
244.73833	0.2
454.33813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28652	0.8
57.03454	1.2
58.93618	0.8
59.01387	9.8
61.98835	6.8
65.35452	0.8
66.94406	0.7
69.03466	1.0
71.01393	9.0
71.39834	1.0
73.02948	1.9
74.99111	3.6
82.34698	0.7
83.01394	1.4
85.02961	3.1
87.96311	0.7
89.02459	2.3
93.03457	0.8
94.26168	0.8
94.59185	0.8
95.01353	1.0
95.59492	0.7
96.96026	18.5
98.95612	10.3
98.96462	2.4
99.00909	1.2
99.92607	14.2
100.93375	3.6
101.02431	4.0
107.98810	0.8
108.46388	0.8
109.02958	3.0
113.02467	3.3
115.92113	3.9
116.92876	100.0
117.03454	1.2
117.92909	2.8
119.05047	2.2
121.03043	0.9
121.06609	9.8
123.08227	1.1
125.02522	0.9
127.05128	1.0
128.03610	1.0
132.02213	1.6
133.02977	7.0
135.04581	1.9
137.06107	0.8
139.00424	0.9
147.08183	5.1
149.06068	1.1
159.03021	1.6
161.02486	1.3
161.04590	3.2
163.07416	0.7
175.00400	2.3
175.04036	1.4
183.04417	1.0
187.03889	0.8
189.05603	0.9
191.95239	1.8
192.95981	2.3
193.13660	0.9
215.00214	1.5
215.49631	0.8
215.95258	4.6
216.95973	9.7
217.96754	2.8
229.16096	0.8
232.95454	1.0
234.97089	1.8
240.04260	1.9
257.90918	0.8
268.03793	16.1
269.04605	1.9
287.01007	1.0
297.04202	0.9
297.07620	1.7
298.08459	0.9
299.20148	4.0
317.21289	2.7
323.97229	1.5
326.07965	4.6
327.08548	1.5
329.09070	1.2
335.22330	7.8
338.95926	1.3
341.10431	1.1
349.98871	1.4
351.96869	15.5
352.97318	2.3
353.23267	2.1
354.95544	2.0
354.99460	1.1
369.09674	2.2
369.97858	1.4
371.11063	1.3
372.11905	1.1
373.11902	3.1
380.00015	2.2
381.00806	9.6
382.01190	1.6
384.26263	1.3
393.00455	0.9
394.98422	1.5
395.95444	4.1
396.95691	1.0
397.00214	2.5
409.00110	1.0
410.01001	7.7
421.01041	1.0
423.98825	1.5
424.98642	1.5
425.03384	3.3
435.01852	3.5
443.04718	1.0
448.99710	1.2
453.02823	9.3
457.02264	1.5
467.00977	1.2
469.02475	10.2
471.29343	0.8
484.95355	0.8
485.01813	14.7
486.02066	1.5
497.01880	40.6
497.27396	1.4
498.02338	4.2
514.29358	1.2
515.02826	25.6
515.13904	1.5
515.28754	7.9
516.03149	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98042	0.4
58.78886	0.2
58.99603	0.4
59.01399	0.2
65.00330	0.3
67.01894	0.3
68.99818	0.5
70.99598	0.1
72.97533	0.3
77.92896	0.1
80.98074	0.3
81.03454	0.3
82.26140	0.2
82.99622	1.5
83.01403	0.2
84.97536	0.3
86.99120	1.4
87.49469	0.2
95.01400	4.0
97.98354	0.2
98.99123	1.0
99.05643	0.3
107.86967	0.2
108.02176	0.3
108.04598	0.2
110.99079	0.9
112.04002	0.3
113.03575	0.2
114.98647	0.8
117.03397	0.2
121.63912	0.2
123.00888	1.6
126.98616	2.5
129.00156	0.2
130.62787	0.1
131.05038	0.3
136.97078	0.2
136.98804	0.3
138.98628	0.5
139.99397	1.1
141.07147	0.2
145.06526	0.2
148.98793	0.3
149.99550	0.3
151.00502	0.2
152.96523	2.2
153.07245	0.3
154.98120	2.7
155.08269	0.4
155.98868	0.2
156.99615	0.7
157.06592	0.6
163.00368	0.2
164.98238	0.2
165.06964	0.3
167.98888	5.7
171.04558	1.5
171.08185	0.4
173.06113	2.5
176.01099	0.2
180.05855	0.2
181.06535	1.0
182.97580	4.0
183.07855	0.8
185.06105	0.4
187.07761	0.2
195.98367	0.8
197.06104	0.5
199.07652	1.2
208.99144	0.9
209.06081	1.8
213.03821	0.2
215.05354	0.4
215.97206	0.1
217.03207	0.3
225.05595	4.6
226.06003	0.2
227.07054	3.4
231.04858	2.1
239.03226	0.2
241.03233	1.4
241.05173	0.1
243.04834	0.2
245.02821	0.3
245.08084	0.2
253.05083	10.1
254.05753	0.8
259.04352	19.6
260.04721	0.8
269.02432	2.2
287.03860	100.0
288.04156	4.3
367.02316	0.6
397.62640	0.2
405.33899	0.2
512.99084	0.2
515.09729	0.3
531.87610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83612	0.3
68.01687	0.3
70.26163	0.4
70.26460	0.5
82.99608	1.3
86.99102	0.9
95.01393	4.3
98.99118	0.7
110.99118	1.0
114.98598	0.5
116.18229	0.4
123.00897	1.3
126.98606	1.8
138.98660	0.5
139.99376	1.0
149.69946	0.4
152.96498	1.9
154.98097	2.0
155.08310	0.4
156.99609	0.7
167.98886	3.9
171.04504	1.3
173.06110	1.7
181.06566	0.8
182.97568	2.6
183.07816	1.5
195.98363	1.3
197.06012	0.5
199.07639	1.2
208.67099	0.3
208.99161	0.9
209.06122	1.7
209.20645	0.4
215.05365	0.5
225.05594	3.9
227.07104	3.4
231.04832	1.9
241.03279	1.6
253.05095	9.5
254.05801	1.2
259.04349	15.5
269.02737	3.2
287.03860	100.0
288.04202	3.3
322.96097	0.3
468.26141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81709	0.5
59.86902	0.6
65.00326	21.7
67.01910	3.0
68.99821	0.9
70.25657	0.8
70.25990	1.1
82.00632	0.5
83.01410	1.2
92.99836	3.3
96.96002	0.5
96.99319	6.4
97.02960	12.3
99.00897	0.9
108.99335	1.1
110.00098	2.2
116.59257	0.5
120.99289	3.0
127.05570	0.5
136.98814	15.9
137.99246	0.5
139.04063	2.9
141.07135	0.6
143.05045	0.9
149.99551	0.8
164.98305	45.1
165.98978	1.7
169.06680	0.7
171.04544	3.6
177.99094	1.8
185.06120	0.5
197.06018	1.3
199.04039	3.6
203.07115	0.9
213.05591	1.9
225.05693	0.9
227.03494	1.9
229.32526	0.5
241.05095	4.6
242.06039	0.6
245.08220	14.0
246.08609	0.7
269.04562	100.0
270.04913	5.6
380.34598	0.5
410.22726	0.5
471.27756	0.6
532.38763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35130	0.5
61.98801	0.9
65.00327	12.2
67.01887	2.1
67.63718	0.5
68.99818	1.9
74.21581	0.4
77.46215	0.5
83.01385	1.8
88.26900	0.5
92.99831	0.7
96.99316	0.8
97.02951	6.3
103.55048	0.5
108.99319	0.9
110.00077	1.4
117.03468	0.6
127.05545	0.5
136.98810	13.9
139.04057	1.5
141.07104	0.9
143.05029	0.8
163.00381	0.8
164.98322	4.5
168.71852	0.5
169.06595	4.1
171.04530	12.6
173.06105	1.0
181.06613	1.2
187.28630	0.5
197.06291	0.7
199.04060	1.1
201.05714	0.6
203.07259	0.9
213.05641	2.3
225.05557	0.5
230.84842	0.5
241.05090	44.7
242.05496	1.5
243.06557	0.8
245.08180	7.2
267.06610	1.3
268.06192	0.9
269.04565	100.0
270.04919	4.9
270.07788	1.6
277.14340	0.5
295.06064	4.7
321.09567	0.6
402.43027	0.5
457.37592	0.5
483.10602	0.7
494.86511	0.5
515.09259	0.6
515.15417	1.8
537.38013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.5
57.03446	6.3
59.01387	100.0
60.91339	1.5
61.98825	5.9
69.03474	1.9
71.01390	75.2
73.02955	22.8
75.00900	1.8
75.87019	1.5
77.01948	1.7
79.54185	1.8
81.03458	3.3
83.01387	7.7
85.02960	24.9
87.00874	2.2
89.02448	23.0
95.01408	7.1
96.96021	8.3
97.02956	3.8
99.00900	5.9
100.76792	1.6
101.02448	33.4
109.02953	2.6
113.02462	41.0
119.03534	11.7
119.05053	9.5
125.02456	6.2
131.03548	2.6
135.04449	1.6
137.09831	1.8
143.03505	7.4
149.04538	2.7
153.01868	2.0
155.03578	10.1
159.03023	4.8
161.04584	24.3
163.06091	1.7
164.98308	4.9
165.99078	1.9
167.03514	1.9
179.05598	2.4
187.04083	1.8
198.90083	1.4
203.05658	18.0
269.04840	2.4
284.03134	2.2
285.04059	6.8
309.11935	4.6
309.24371	4.2
323.05820	2.2
353.10388	2.7
353.23422	11.7
367.16211	2.8
429.17896	4.2
447.09351	3.0
471.18842	2.4
515.06036	2.5
515.17590	3.6
515.20990	2.0
515.28650	35.9
516.29175	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	515.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65849	3.0
57.33958	3.1
59.01086	5.2
59.01387	100.0
59.38204	3.3
61.98824	10.6
67.40782	3.4
69.04179	10.6
69.04599	14.9
70.34975	2.9
71.01389	26.3
71.93656	3.3
73.02956	36.3
76.69109	3.6
78.95921	7.8
83.01392	10.1
85.02951	4.1
89.02474	7.6
93.71300	3.2
96.95988	3.1
99.00842	5.1
99.04530	6.6
101.02462	29.6
109.02982	3.6
109.54642	3.7
110.98563	5.1
113.02457	8.9
117.03506	3.6
119.03453	3.5
119.05028	23.2
123.04536	4.6
135.04532	5.2
161.04588	7.3
161.13368	9.3
167.03471	12.9
167.72296	3.2
181.04993	3.4
182.31802	3.3
187.07686	5.7
188.08163	3.4
205.12343	20.6
215.82822	3.8
249.11357	30.8
298.51694	3.3
307.15405	3.5
325.16531	4.6
515.19531	19.9
515.28607	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1942
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
55.01895	1.6
57.03446	1.8
57.35490	1.1
57.96184	1.1
59.01385	100.0
60.56137	1.2
61.98836	2.9
65.00346	1.4
69.03482	1.5
71.01386	38.3
71.41943	1.5
72.01730	2.0
72.99309	1.6
73.02953	35.0
75.00849	1.3
81.03545	1.1
83.01392	7.0
84.98968	1.1
85.02982	6.7
85.32915	1.4
86.81638	1.4
87.00903	2.4
89.02454	27.4
93.03484	2.3
95.01399	4.6
96.96025	1.8
97.02963	1.4
98.22592	1.4
99.00886	2.4
101.02450	33.5
102.02796	1.5
113.02454	21.0
117.03503	2.9
119.03529	15.9
119.05032	9.9
121.02946	1.5
131.03569	3.6
133.02997	2.0
135.04562	3.0
135.76799	1.2
137.02466	3.6
143.03519	3.7
145.02991	2.6
145.82690	1.2
149.04605	1.4
159.03096	2.1
159.04475	2.0
160.04083	1.6
161.04581	5.7
179.05623	6.9
187.07677	1.5
202.07233	2.1
215.07225	3.4
220.26721	1.3
278.09506	14.4
279.09708	1.3
291.10324	3.7
292.11047	1.6
293.11859	47.4
294.12393	4.6
295.13303	9.7
307.15738	1.3
310.08807	2.5
311.12836	6.2
325.16412	2.8
353.14145	2.5
353.23303	3.2
380.08603	1.4
455.17264	3.7
473.18210	8.7
514.27710	2.1
515.19281	71.8
515.28369	62.3
516.19531	5.4
516.28308	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
61.98833	100.0
65.95678	0.6
69.77158	2.1
73.31723	0.7
102.10818	0.6
138.68239	0.6
160.16052	0.7
202.95119	0.6
213.09053	0.6
217.93896	0.6
273.97968	0.7
353.12842	0.7
353.28854	0.7
445.26639	0.7
458.63522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.2
62.51112	0.4
65.24683	0.4
71.01380	2.9
72.99302	0.4
78.95926	0.5
85.02997	0.4
89.02448	3.9
96.97018	0.4
101.02473	1.0
103.19838	0.4
113.02435	1.6
114.05610	1.6
119.03505	1.4
126.76673	0.4
131.08275	100.0
132.08655	1.2
145.06227	0.8
156.07825	4.7
173.10451	74.4
174.08939	0.5
174.10730	1.5
179.05606	2.4
191.37314	0.4
341.10876	8.6
361.57104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.4
59.01385	48.4
59.01670	3.0
61.98835	8.5
65.82097	1.4
71.01393	16.9
73.02972	6.6
79.95763	1.6
83.01426	2.5
83.63277	1.4
85.02951	7.3
87.00905	3.7
89.02463	3.3
96.96011	7.7
98.22717	3.7
99.00954	2.0
99.28448	1.4
100.38339	1.4
101.02470	6.5
113.02482	4.5
119.05069	4.9
122.02533	1.9
125.02498	3.3
135.04590	5.2
149.30792	1.5
171.10292	10.4
217.59145	1.8
275.20239	3.4
277.14529	2.1
293.21359	4.3
311.22354	11.2
331.19147	9.6
385.16476	2.1
453.60147	1.7
455.26593	19.6
456.26852	1.7
473.27698	33.4
515.03656	2.1
515.28900	100.0
516.28986	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	515.2871
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01860	0.7
57.03447	2.6
59.01386	42.6
61.98829	1.4
69.03464	0.9
69.71549	1.1
69.71878	0.6
71.01024	0.9
71.01392	13.8
72.50981	0.5
73.02953	19.3
81.03461	0.5
83.01402	4.1
85.02961	4.2
87.00867	1.8
89.02467	4.2
93.03445	0.7
95.01398	0.9
97.02946	0.9
98.22569	1.0
99.00913	0.9
99.83365	0.5
101.02454	9.6
109.02960	0.6
110.00072	0.6
111.00931	0.5
111.08160	0.8
113.02473	4.6
116.92869	0.7
117.03465	1.5
119.03510	0.9
119.05018	2.5
125.02486	0.9
133.02919	0.7
135.04541	1.9
151.11278	1.4
153.09288	0.5
153.12891	1.3
155.10809	1.0
157.12347	1.2
169.15990	2.1
202.06169	0.6
256.03656	0.6
263.20142	0.7
275.20169	2.4
293.21249	9.8
295.22751	9.0
295.25827	1.0
295.59528	0.5
309.20853	0.7
311.22314	49.7
312.22668	1.9
455.26572	7.5
456.26950	0.7
473.27570	14.5
474.27942	0.6
515.28680	100.0
516.29175	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	515.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57920	0.2
59.01385	6.4
65.39754	0.2
67.47009	0.2
70.56156	0.4
71.01394	4.0
73.02937	1.0
73.07643	0.2
75.00890	0.3
81.44026	0.2
83.01403	0.5
83.37631	0.2
85.02968	0.8
87.00892	0.6
89.02457	3.4
91.04018	0.3
92.42089	0.2
95.01403	0.4
101.02452	4.7
107.44521	0.2
109.02957	0.2
113.02480	2.0
119.03517	0.9
119.05077	0.2
121.05982	0.2
131.03566	0.2
133.05067	0.4
143.03502	0.4
161.04576	1.7
172.78381	0.2
178.90602	0.2
179.05614	0.7
235.08232	0.7
253.09312	13.0
254.09801	0.2
261.22192	0.4
279.23315	100.0
280.23651	5.2
280.26584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69526	4.7
70.69873	4.3
71.80960	2.8
72.35014	2.8
131.03241	2.7
163.11314	44.5
169.55214	3.0
176.12035	3.8
177.12918	7.1
199.50830	2.8
208.92900	3.1
240.82906	3.0
244.12704	3.1
282.16290	4.8
283.17126	3.9
299.63980	3.0
314.89465	3.5
339.23322	100.0
340.23563	4.6
351.23331	4.7
487.92105	3.6
515.35492	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	3.0
65.00346	3.8
65.99850	15.6
69.53239	8.0
83.01403	4.2
88.95888	2.7
89.18685	2.7
93.09334	2.7
98.21912	4.2
108.80671	2.8
109.53359	3.3
110.02516	5.7
122.17339	2.9
123.03290	4.0
124.62904	3.5
135.03273	4.6
136.00406	5.0
138.01910	4.4
145.06592	7.5
151.00357	3.6
151.02698	4.2
169.06552	3.5
171.04523	3.8
175.99907	13.2
192.03091	4.4
201.05620	3.4
205.92322	3.0
220.02269	3.0
238.40274	3.0
242.08229	43.1
255.06595	14.8
268.06198	7.7
270.07721	100.0
271.08057	4.3
280.06241	19.1
280.08868	2.9
296.05795	6.8
316.97845	3.5
324.08807	12.5
360.97778	3.9
412.11853	41.6
454.12964	70.0
472.14087	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	517.0046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45529	0.6
59.01385	69.2
60.01720	0.6
60.09543	0.6
61.98810	0.6
90.97123	0.7
117.56025	0.7
132.98230	1.3
157.03619	1.4
174.99257	29.6
195.87932	0.6
201.02554	10.7
202.02724	1.7
217.00313	100.0
218.00655	2.2
222.94476	0.6
324.84735	0.8
332.46039	0.7
343.03806	1.0
359.01462	10.7
360.01993	1.0
365.24338	0.6
374.99213	46.9
375.99539	2.0
412.95111	0.7
516.96277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47028	0.7
57.03419	0.7
59.01368	2.4
63.02402	1.0
65.00323	6.7
69.26887	3.6
71.01378	1.3
83.01380	2.4
89.00835	0.7
98.21889	1.2
101.02466	1.0
106.75560	0.7
107.01398	9.8
121.02951	0.8
134.96581	0.8
136.50726	0.7
151.00380	24.7
161.02455	0.7
164.98280	1.0
180.20142	0.8
225.05544	2.1
225.14902	0.8
269.04556	100.0
270.04895	3.5
285.04047	1.5
298.04807	0.9
313.07721	0.7
431.66562	0.7
451.41455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.099
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.89770	0.2
59.01385	2.9
63.02401	2.8
65.00326	2.0
69.43369	0.5
69.43761	0.9
71.01379	0.6
73.02924	0.3
83.01394	0.5
85.02964	0.3
93.03469	1.1
101.02423	0.4
105.03492	0.6
107.01406	3.5
113.02441	0.4
116.92862	0.9
117.03481	8.3
121.02982	1.1
133.02968	0.3
135.04529	0.8
147.00882	0.3
149.02446	3.2
151.00417	3.1
155.05048	0.4
157.06554	0.5
159.04553	2.9
161.02458	2.7
169.06589	1.4
171.04433	0.2
180.05865	0.5
181.06595	1.3
183.04527	3.3
195.04434	0.2
196.05305	2.0
197.06096	2.3
199.04021	0.4
201.05634	1.7
203.03490	0.3
213.05476	0.3
213.94841	0.3
224.04837	1.0
225.05585	5.5
227.03535	1.1
237.05482	0.4
240.04282	0.9
241.05092	0.6
253.05083	0.6
257.48923	0.2
265.05106	0.5
268.03806	1.0
269.04565	100.0
270.04932	3.9
280.57742	0.2
281.04544	0.4
283.06223	0.8
311.05655	1.2
408.31982	0.3
413.08600	0.3
431.10001	1.7
473.10910	54.4
474.11221	2.8
517.10278	0.3
542.62457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59090	1.6
58.75698	1.5
59.01383	1.6
65.00334	5.3
67.01892	1.4
75.76076	1.4
77.02506	1.4
81.03455	10.7
83.01414	3.2
100.21871	1.8
111.00896	59.5
119.05025	22.5
136.98853	5.5
139.00392	100.0
143.05014	2.1
164.98315	4.8
231.06667	6.0
241.05179	3.0
255.03087	1.9
269.04471	4.5
270.07571	2.2
275.22815	1.4
283.02600	4.4
285.04068	65.6
286.04401	3.5
298.04944	2.9
313.07108	3.1
351.07474	1.5
404.07846	1.6
517.13525	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	517.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	10.1
59.01382	5.6
65.00336	15.7
68.76596	2.5
70.25854	6.3
74.94134	2.3
81.03461	9.2
83.01414	3.8
87.00922	2.5
103.00388	3.1
111.00896	61.2
111.30148	2.5
119.05038	25.8
121.02988	5.8
125.02444	4.4
135.48373	2.4
136.98851	15.9
137.02443	3.0
138.99309	5.0
139.00386	100.0
145.06480	3.1
148.65787	3.0
161.02432	2.4
161.06078	3.6
161.75339	2.4
164.98309	15.2
171.04517	6.5
177.01930	3.9
183.04532	3.1
188.20596	2.5
197.06081	3.5
213.05518	3.2
231.06606	6.0
231.35046	2.4
241.05096	22.1
243.06653	2.6
247.06107	5.1
255.02979	9.1
267.06534	3.1
268.06015	5.1
269.04553	62.7
270.05045	3.4
271.06079	3.1
283.02524	39.5
285.04077	73.6
297.04001	3.1
298.04868	52.1
299.05264	4.1
307.05893	3.2
309.03979	2.4
313.07205	42.6
359.31427	2.5
517.13391	20.5
517.20050	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	517.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41245	1.2
60.49620	1.4
60.53157	1.2
65.00327	17.0
67.01879	1.5
69.40633	2.5
69.41022	4.4
92.99821	3.8
95.01396	1.6
96.99320	5.0
102.19515	1.3
110.00134	4.9
111.00897	4.2
112.51987	1.6
117.03493	3.3
117.07069	1.5
118.06554	1.6
124.01702	7.7
131.05013	2.7
136.01735	1.7
136.98819	13.7
139.00363	7.5
143.05016	1.5
144.04626	2.0
145.06613	14.2
147.08185	5.2
152.01160	5.4
153.62762	1.3
162.05641	1.7
164.98296	33.1
165.99008	3.8
166.99854	3.8
167.54042	1.6
169.89632	1.5
171.04550	3.7
173.06030	7.1
177.99214	1.7
188.03462	3.5
197.06021	2.0
199.04041	3.9
201.05605	31.7
203.07149	3.8
225.05612	4.8
241.05135	3.1
242.08163	2.9
243.06596	25.6
243.08708	2.1
244.07074	2.2
244.64946	1.6
253.05049	5.3
264.23721	1.7
269.04553	58.3
270.05042	4.5
270.07755	3.8
271.06097	100.0
272.06516	4.2
292.09857	8.6
292.44131	1.6
293.10092	15.7
297.06094	1.7
321.73758	1.6
334.10822	3.2
335.11206	5.0
340.56070	1.7
378.09650	2.3
379.10156	7.5
410.12320	1.8
411.13016	4.1
485.14413	20.5
486.15051	1.7
517.17108	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	517.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01455	1.8
52.22244	1.9
53.79752	1.8
59.01391	4.7
65.00327	24.2
69.17137	13.7
71.74216	2.1
81.03471	15.9
83.01409	3.5
92.99823	2.9
96.99344	5.0
107.01381	7.0
119.05022	13.8
120.99311	4.9
121.02985	6.3
136.98799	17.2
151.00337	15.7
164.98308	50.5
165.99023	4.0
231.06653	9.4
241.05067	2.9
269.04535	100.0
270.04852	2.9
285.04059	59.7
286.04395	3.8
334.07526	2.6
389.29410	2.1
450.16382	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01725	0.3
59.01382	5.5
65.00321	2.3
69.13374	1.7
71.01376	0.8
73.02971	0.3
92.99844	0.4
93.03448	0.4
96.99326	0.4
105.63066	0.3
111.44006	0.3
115.49270	0.3
117.03452	3.6
119.05051	0.5
120.99328	0.7
123.00831	0.5
123.91296	0.3
124.01689	0.4
133.62779	0.3
136.98808	7.3
140.89050	0.3
143.05020	0.7
151.00357	0.7
152.01158	1.3
153.01956	1.1
154.04247	2.8
161.02466	1.0
164.98305	10.0
164.99635	0.7
167.05040	0.8
178.99905	1.3
180.00676	1.7
182.03734	0.3
183.04529	6.2
185.02449	3.2
190.99867	0.6
198.03195	1.2
210.03145	0.5
211.04030	3.1
213.01930	0.4
221.04585	0.7
225.05505	0.4
226.00629	0.6
226.02704	5.0
227.03453	1.5
238.02621	0.4
239.03444	2.1
254.02246	1.3
255.02991	20.7
256.03394	0.7
268.03983	0.5
269.04553	5.3
279.03055	0.4
281.04617	0.4
283.02499	86.7
284.02872	4.3
296.03262	1.3
297.04071	12.9
298.04840	100.0
299.05176	4.7
311.05548	2.1
312.06378	1.0
313.07202	67.8
314.07562	3.3
355.08319	4.3
379.08713	0.4
457.11414	17.6
458.11810	1.2
475.12524	1.5
517.13544	30.6
518.13586	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	517.1355
Annotation	Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
56.24779	0.4
59.01386	3.2
61.98829	0.7
65.00332	2.8
65.11949	0.4
68.99837	0.6
69.08556	2.5
69.16800	0.4
70.89970	0.5
71.01383	1.3
72.47255	0.4
73.02954	0.6
90.16095	0.4
92.99815	0.8
96.96048	0.7
96.99325	0.5
101.02441	0.6
109.42152	0.4
116.27670	0.4
117.03437	3.6
119.05029	0.7
120.99323	0.7
124.01707	0.6
136.98827	11.3
139.00372	0.8
143.04980	0.9
151.00386	0.6
152.01149	1.1
153.01927	0.5
154.04227	1.5
155.04999	0.5
159.04501	0.5
161.02477	1.0
164.98312	10.9
166.16127	0.5
167.05016	0.8
178.99872	1.1
180.00679	1.5
182.03761	0.6
183.04533	7.2
185.02490	3.9
187.03976	0.5
195.04480	0.5
197.02554	0.5
198.03203	0.9
201.05580	0.5
207.88683	0.4
209.02351	0.4
211.04028	4.1
213.01848	0.5
221.26491	0.4
226.02759	4.3
227.03577	2.5
239.03511	1.7
248.20639	0.5
254.02264	0.7
255.03004	21.4
256.03397	1.1
268.03879	0.9
269.04465	3.8
283.02502	92.0
284.02884	3.8
296.03134	0.8
297.04047	5.6
298.04843	100.0
299.05249	3.9
311.05609	2.7
312.06348	0.8
313.07205	86.0
314.07590	4.4
344.36008	0.4
355.08292	3.8
517.13544	29.1
518.13751	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	517.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45863	4.8
59.01386	100.0
69.06106	5.3
70.71996	9.7
71.01388	46.3
73.02959	25.7
82.95427	10.8
85.02954	11.6
85.45737	5.3
88.32060	6.0
89.02458	32.9
99.00890	66.3
101.02447	24.4
113.02457	23.5
119.03505	6.5
119.05033	34.0
131.03452	7.8
134.03761	7.5
146.03743	7.9
149.04575	14.1
160.01692	18.6
161.04558	11.7
175.04016	17.0
179.07133	14.9
182.48296	5.7
191.05614	20.1
193.05084	9.6
202.71535	5.5
203.05666	7.3
281.10315	12.2
337.09280	8.4
341.12213	11.5
431.15533	24.2
473.16687	50.1
488.89517	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	517.1568
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
58.71314	0.8
59.01383	19.2
60.44241	0.8
61.98831	1.2
67.35635	0.9
69.03452	0.8
70.25524	2.4
71.01389	11.7
73.02931	2.0
73.22358	0.8
83.01360	0.9
85.02948	2.7
86.79511	1.0
87.00878	4.9
89.02438	7.6
90.57994	0.9
98.21967	1.2
99.00894	1.5
101.02447	5.9
113.02467	6.5
117.01938	1.1
117.03484	3.0
119.03541	1.6
119.05029	2.1
123.04593	1.2
125.02442	2.0
130.16728	1.0
132.02184	18.8
133.02960	3.0
134.03755	44.6
135.04420	2.1
147.04520	5.0
148.05286	3.1
149.06094	8.8
158.03754	2.1
160.01675	80.6
161.02150	3.1
161.04539	4.8
173.06071	1.7
174.03267	1.3
175.04021	100.0
176.04794	12.3
177.01906	2.6
177.05492	1.4
178.02730	5.3
179.03470	1.1
179.04181	1.0
179.05646	9.1
179.07162	1.7
184.08075	0.9
191.07149	19.3
192.04248	1.1
193.05075	65.7
207.06659	9.1
217.04990	1.5
220.03806	2.1
235.06140	60.1
236.06543	2.1
265.07193	12.2
277.07318	1.7
295.08252	15.8
323.09952	1.9
337.09219	3.9
355.10233	5.6
398.25159	1.0
517.15668	85.9
518.15979	5.5
534.27063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03443	4.1
59.01384	90.7
69.03455	2.0
69.54590	4.2
71.01392	56.9
72.99318	1.8
73.02947	5.6
81.03470	1.4
83.01391	2.6
85.02959	45.6
85.29964	1.1
87.00877	11.8
89.02457	35.8
95.01402	16.0
96.54649	1.3
96.96020	2.0
97.02959	2.5
99.00874	1.7
101.02439	19.4
103.04012	2.8
109.02972	5.2
113.02462	100.0
119.03513	12.7
122.25067	1.1
125.02473	1.8
127.04027	6.8
131.03471	1.8
134.03746	12.8
135.04556	1.6
137.02490	1.1
137.06049	2.0
143.03499	6.1
149.06117	9.1
152.04790	2.3
158.04895	1.1
161.04562	13.9
163.06140	3.4
167.07133	4.2
170.28302	1.3
171.65033	1.1
179.05611	2.7
183.41469	1.1
196.02461	2.0
202.01694	1.6
214.03415	1.3
221.08179	1.5
229.25201	1.1
248.02330	2.3
311.11377	4.1
313.03433	1.2
329.12442	18.1
397.22183	1.2
421.14828	1.4
457.17136	15.5
458.17569	1.2
475.18250	93.2
476.18549	6.2
517.19141	8.5
517.30365	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	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43654	1.3
55.01881	1.7
57.03455	5.5
59.01385	77.1
61.98841	1.3
69.34935	1.0
71.01385	51.3
72.58195	1.3
72.99297	1.2
73.02960	5.3
73.29623	1.2
75.00854	1.9
82.82227	1.1
83.01387	2.9
85.02956	40.5
87.00873	8.7
89.02453	30.5
95.01395	13.8
97.02965	2.6
98.21898	2.7
99.00854	2.2
101.02451	17.0
103.04066	3.0
108.04552	1.2
109.02960	5.1
113.02461	91.3
119.03522	9.7
125.02444	2.4
127.04021	5.5
134.03749	12.3
135.04527	1.4
137.06049	2.2
142.99112	1.4
143.03506	7.1
149.06113	7.8
152.04785	2.0
161.04573	12.7
163.06125	2.9
166.87997	1.2
167.07216	3.8
170.04594	1.9
175.04076	1.9
179.05579	1.9
196.02530	6.8
202.01894	1.6
206.63417	1.4
209.11755	2.1
221.84846	1.4
243.10008	1.2
248.02345	6.6
257.05981	1.3
311.11462	3.5
329.12384	17.7
361.37650	1.3
401.14508	2.8
457.17169	14.9
475.18234	100.0
476.18384	7.5
517.20190	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	517.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63733	4.3
59.01387	100.0
61.98837	26.9
66.45798	4.9
69.03462	5.9
70.83181	5.1
70.83508	5.5
71.01019	6.0
71.01385	63.7
73.02943	11.3
83.01369	6.9
86.33925	4.5
86.42429	4.8
89.02455	71.4
97.02940	13.1
97.71839	4.0
98.22601	5.4
99.00877	16.0
101.02459	14.4
103.51357	4.7
105.05651	4.6
107.53999	4.5
113.02431	5.0
115.04034	5.9
117.03548	5.3
117.80929	5.2
121.99400	4.8
125.02448	46.7
131.03525	12.2
135.04491	21.4
138.65994	4.6
143.03473	4.8
144.35350	4.2
148.05331	38.9
149.04576	10.0
163.07722	8.6
165.47780	4.6
179.03500	17.8
191.05577	8.9
215.62254	5.1
230.19330	4.7
233.06679	31.8
269.59641	5.3
277.01779	5.1
293.05765	8.3
293.08795	63.3
517.17480	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	517.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68541	0.4
56.23219	0.4
59.01372	2.3
61.98837	100.0
69.72604	1.3
69.72947	0.5
75.79823	0.4
79.83162	0.3
98.22694	0.4
110.27107	0.4
111.00937	0.4
115.04025	0.5
117.03477	0.8
119.04999	0.7
122.02509	1.4
135.04544	0.6
176.01024	0.4
179.56129	0.5
444.70267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71790	0.9
59.01381	3.2
61.98837	100.0
106.01237	0.9
119.05052	1.4
123.02806	0.9
155.09929	0.9
204.27408	1.0
324.27383	1.0
341.18921	1.1
495.17996	1.0
517.55774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
61.98836	100.0
67.92744	0.4
71.01385	0.7
71.40408	0.5
101.02439	0.4
109.15627	0.5
115.04039	0.6
117.03473	0.5
119.05065	0.9
134.80646	0.4
135.04584	1.9
141.32484	0.3
145.46017	0.4
154.58163	0.4
183.01295	1.3
183.94846	0.4
187.07709	1.3
197.02853	0.8
202.06429	1.1
263.12897	2.3
264.52704	0.4
290.93900	0.4
337.18506	0.7
499.19901	0.7
516.28894	0.4
517.24310	6.9
517.31866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.6
60.61163	0.6
61.98837	100.0
70.92788	0.7
70.93120	0.7
71.01398	0.6
98.22615	0.8
112.20461	0.6
115.04038	1.0
117.03434	0.7
135.04565	0.9
183.01271	0.9
261.80667	0.7
295.12189	0.7
295.22974	0.7
323.06198	0.7
355.19781	0.7
415.33948	0.7
517.24481	1.8
517.31329	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	517.2653
Annotation	Terragine A
Peak:m/z	Relative Intensity
53.36489	0.7
55.01873	1.2
57.03456	4.3
59.01116	1.0
59.01386	11.6
67.01876	0.7
69.03458	0.8
71.01387	18.5
71.41283	0.7
72.99313	7.3
73.02940	1.3
75.00883	29.6
76.70483	0.6
83.01346	0.7
85.02960	24.5
87.00885	7.3
89.02460	1.9
95.01393	1.9
97.06627	1.5
99.00886	4.4
101.02398	1.0
103.00373	1.4
103.59719	0.7
111.00889	1.4
113.02467	18.9
113.80480	0.8
115.00373	2.2
116.01157	3.5
117.01945	1.4
121.10274	1.1
122.02538	0.7
125.09724	2.1
129.01961	1.5
157.01440	2.2
175.02518	4.6
185.11795	1.5
193.12354	2.1
196.78716	0.7
211.13420	4.0
212.19083	0.8
225.15009	2.7
243.15979	1.1
265.10641	0.6
291.19669	2.5
341.23334	8.9
371.98581	0.8
376.50723	0.7
401.08713	1.0
455.26605	1.1
458.43539	0.7
466.70004	0.7
499.25766	2.1
517.26575	100.0
518.27045	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	517.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.7
57.03453	4.4
57.13927	0.4
59.01387	33.6
63.35446	0.4
66.50450	0.4
69.03466	2.7
70.46574	0.5
70.46885	0.6
71.01389	54.0
71.05034	0.5
72.01720	0.5
72.99316	1.4
73.02954	20.1
75.00880	1.1
82.66291	0.4
83.01403	9.5
83.05048	0.6
84.02181	0.4
84.10578	0.4
85.02961	32.0
86.00098	1.1
86.03297	0.5
87.00894	3.2
89.02458	6.7
95.01398	5.6
96.96030	1.3
97.02966	2.4
97.06631	0.7
98.02531	0.4
99.00898	8.5
101.02456	46.2
102.02774	0.6
109.06606	2.2
111.00915	3.2
113.02460	22.9
114.02850	0.5
116.92861	0.8
119.03509	2.0
121.06628	1.0
125.02454	1.1
129.01941	2.2
133.10220	0.9
137.02415	0.6
141.01993	1.1
143.03528	3.1
151.11362	0.5
154.07642	0.4
154.08949	0.4
159.03001	6.5
161.04578	28.7
162.04836	0.6
189.12959	0.5
196.02519	0.8
205.03502	0.6
228.03250	0.5
248.02435	1.6
275.19980	0.5
277.21594	1.1
287.20233	0.6
289.21854	0.5
307.22864	4.2
309.24237	0.8
317.21280	1.0
319.22821	10.9
320.23340	0.7
325.24100	1.9
335.22241	0.7
337.23862	10.1
338.24460	0.7
355.24905	6.2
363.25394	1.6
421.25497	0.5
469.28018	1.2
481.28143	18.8
482.28568	1.3
487.29236	1.7
499.29205	29.7
500.29337	1.9
515.28497	0.7
517.30212	100.0
518.30688	7.0
525.27039	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	518.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
59.91494	1.7
69.19668	7.2
69.20058	3.7
91.98763	1.5
103.00368	2.0
103.96367	1.7
121.38461	1.7
132.34048	1.5
136.98785	4.3
156.69345	1.5
164.98268	7.1
180.00719	3.2
203.55707	1.9
211.04097	1.6
221.45937	1.8
240.06601	1.6
255.03146	7.7
268.06281	10.5
269.04526	8.9
270.04880	5.4
283.02493	54.0
284.02997	2.7
298.04810	32.3
299.05176	5.4
313.07187	100.0
314.07507	7.0
365.43811	1.7
518.12616	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	518.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08025	1.4
52.36248	1.5
52.56416	1.3
59.01384	59.1
60.65413	1.4
61.58577	1.4
65.00326	1.9
65.99856	2.1
71.35678	1.5
96.00883	1.7
100.16531	1.8
112.24738	1.4
120.00925	3.6
136.00385	2.3
148.00397	3.1
150.01933	2.9
160.00394	3.6
163.99910	4.5
165.05583	65.9
166.05905	1.8
169.59032	1.5
171.04588	2.1
187.99919	7.2
215.99361	11.0
242.00975	2.4
254.08235	1.7
255.06689	3.0
264.06631	2.7
268.06131	5.4
278.04581	4.1
280.06293	1.7
282.07758	12.7
292.06256	8.4
310.06924	1.8
317.52563	1.7
320.05637	100.0
321.05981	4.3
324.08826	2.3
352.08246	12.2
370.09259	9.8
394.09192	7.0
412.10379	3.3
442.12735	4.2
497.51694	1.6
518.14728	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	518.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
59.01389	52.7
60.01704	1.6
61.98838	100.0
63.84303	1.0
71.01392	9.5
71.39950	1.2
73.02954	2.7
83.01411	1.6
85.03003	2.7
88.98833	1.7
89.02451	2.5
91.75804	1.1
96.95960	1.3
101.02459	3.2
113.02448	1.4
116.92876	3.0
117.03460	1.1
119.05036	1.9
125.15549	1.0
133.02928	1.5
135.04564	5.0
151.00500	1.4
160.84235	1.2
161.04588	1.2
166.01535	1.9
167.03537	2.8
192.11563	1.8
203.05634	4.6
207.13957	13.9
253.09023	1.2
299.02036	4.3
302.06860	1.4
321.03976	2.0
410.61353	1.4
518.19550	4.1
518.31757	1.3
519.11426	2.6
519.23010	1.5
523.46429	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	518.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
60.97510	0.7
61.98829	4.7
69.95181	2.0
71.96769	0.8
72.97540	22.0
73.98322	1.4
74.78217	0.7
77.90704	0.6
85.01196	2.3
85.74708	0.7
87.96012	0.7
93.03455	1.3
98.99119	6.1
101.02451	1.0
109.01216	0.9
109.02894	0.7
113.00668	1.2
115.03996	0.7
119.04980	1.2
126.98412	1.4
127.02254	5.3
134.15846	0.8
134.24341	0.6
135.04488	2.3
142.04617	1.7
153.97084	0.8
158.19397	0.7
161.11467	0.7
170.04588	0.7
194.78915	0.7
231.10049	1.2
235.07672	1.0
237.09407	1.3
245.11713	4.5
278.09610	100.0
279.09909	4.1
299.01227	0.7
313.17761	1.0
315.19293	1.1
321.04227	0.9
335.04044	0.9
347.16635	34.0
348.17023	2.4
485.86920	0.7
500.92453	0.8
518.21967	50.6
519.22559	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	518.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93277	1.1
51.99774	1.1
56.38331	1.3
59.01381	4.4
61.98837	100.0
69.34934	4.9
71.01413	2.0
72.25887	1.2
79.84651	1.1
114.08840	1.2
117.03435	1.5
119.05099	3.2
135.04539	2.4
293.21283	2.8
437.37930	1.2
450.58896	1.4
455.26605	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	519.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25639	1.9
53.99829	1.9
57.97065	1.8
59.01381	12.3
65.00317	4.9
71.01378	7.8
71.41602	2.2
72.88436	1.7
75.13004	1.7
78.95911	64.1
79.95714	2.1
83.01414	4.3
85.02965	1.9
92.45087	1.9
93.03471	3.7
96.96020	43.3
96.96974	100.0
99.00903	2.2
101.02469	2.4
107.01424	5.8
113.02467	3.5
118.96640	7.5
119.05057	15.0
125.02498	2.7
133.02979	2.8
151.00389	26.6
153.85416	2.0
156.98215	5.3
160.97668	5.1
165.01968	3.7
170.99760	2.6
177.01952	2.6
181.05081	3.0
184.97781	1.9
187.03963	2.5
198.99403	2.9
210.99216	2.0
217.00282	2.5
218.05757	2.6
238.88498	2.1
247.01419	2.5
271.06125	47.4
272.06284	2.4
289.02075	2.9
313.03638	2.4
343.08261	3.2
355.06891	2.9
387.13354	2.1
407.13931	2.2
475.12479	4.6
519.12036	2.6
519.17694	28.0
519.23639	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	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96445	1.3
55.55507	1.2
59.01381	3.3
61.97400	1.3
65.00315	3.5
67.54908	1.4
69.26427	4.8
69.26826	3.5
71.08473	1.5
72.66499	1.4
82.00610	2.4
95.01409	2.1
104.71498	1.5
110.00115	21.0
111.00906	3.3
123.00939	2.5
124.01657	5.2
124.48219	1.5
136.01727	1.3
136.98820	3.8
137.99603	5.6
139.00383	5.4
148.28749	1.3
148.66586	1.5
152.01157	6.3
163.11145	1.4
165.99117	17.2
166.99846	4.5
167.88023	1.3
173.06021	1.8
178.99701	1.8
199.07799	1.5
209.06090	1.4
214.06438	2.6
225.05580	4.9
227.07147	3.3
229.05161	1.9
243.06628	32.8
244.07066	1.8
253.05159	5.7
261.02426	1.4
269.04474	2.2
270.05292	13.4
271.06152	100.0
272.06491	5.2
433.11401	41.2
433.17441	2.2
434.11536	3.6
475.12457	57.7
476.12762	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	519.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
61.98817	0.6
63.02412	3.1
65.00327	9.6
69.49673	1.2
69.50082	0.9
70.01460	0.4
71.01390	1.1
81.03484	0.5
83.01386	6.9
85.02968	1.2
93.03465	5.2
96.68349	0.4
101.02460	0.6
105.81850	0.4
107.01405	15.3
116.92873	0.7
117.03499	0.9
119.05041	30.5
120.05363	1.0
121.02986	0.8
125.02467	3.3
133.02992	0.7
135.04607	0.5
137.02483	1.1
140.33720	0.5
143.05061	0.9
145.02988	4.6
151.00391	56.9
152.00725	1.3
161.06075	0.8
163.03867	0.4
165.01961	5.6
169.01460	4.1
177.01958	5.5
185.06078	2.8
187.03990	2.7
193.01471	1.0
201.09532	0.5
227.07132	3.1
253.05089	0.8
269.04517	0.7
271.06140	100.0
272.06509	4.0
313.07175	0.7
321.04340	0.5
355.06763	5.3
404.83502	0.5
433.11426	0.9
475.12512	16.2
475.19699	0.8
476.12970	1.0
519.24799	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	519.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	32.9
60.99306	10.0
61.98835	3.9
69.03467	2.6
69.05681	14.5
71.01382	5.5
72.99337	3.2
73.02934	5.2
84.31207	2.5
85.02936	3.9
87.00882	3.6
88.98814	58.2
95.69776	2.5
101.02444	5.1
102.98616	2.9
109.03010	11.7
113.02466	4.6
117.03463	4.4
119.05046	4.2
133.02968	31.3
134.03789	3.6
135.04546	6.0
150.03337	2.3
151.04048	3.8
161.04601	3.3
175.04158	2.8
187.07657	3.2
201.01959	4.3
207.06578	3.6
263.12860	3.7
321.04013	6.9
429.11945	100.0
430.12274	9.0
435.07324	3.9
466.79279	2.4
519.01599	2.7
519.23181	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	519.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97248	0.2
59.01385	3.0
63.02406	3.2
64.97662	0.3
65.00333	9.7
71.01402	0.3
71.42159	0.4
72.69876	0.3
73.02956	1.2
81.03483	0.3
83.01393	6.7
89.89139	0.3
91.25304	0.3
93.03471	5.1
97.65542	0.3
101.02476	0.8
106.38618	0.3
107.01404	16.3
109.02952	0.3
117.03462	1.2
119.05038	33.1
120.05396	0.8
121.02977	0.7
125.02447	2.9
133.02985	0.4
137.02473	0.6
142.67433	0.3
143.05048	0.9
145.02969	4.0
149.02422	0.5
151.00386	60.0
152.00716	1.3
157.06558	0.3
161.06102	0.8
165.01950	6.5
169.01436	3.5
177.01961	4.8
185.06100	2.3
187.03969	2.0
193.01430	0.7
203.07277	0.3
209.06039	0.4
227.07117	3.0
229.05161	0.5
253.05069	0.6
267.06577	0.4
269.04550	0.8
271.06131	100.0
272.06473	4.0
303.03271	0.3
313.07239	0.6
355.06699	5.4
366.98355	0.3
433.11450	1.1
475.12460	17.0
476.12943	1.0
519.24609	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11802	2.3
59.01375	7.8
65.00351	7.5
69.21346	15.9
82.00602	6.2
82.69105	2.6
83.01397	2.7
85.33685	2.5
95.01398	3.4
110.00111	40.7
111.00902	5.6
113.02458	7.6
123.00896	3.2
124.01685	5.4
136.98773	5.9
137.99615	13.3
139.00410	8.6
149.31775	3.0
152.01195	10.1
157.18597	2.4
165.99089	44.2
166.99858	8.4
181.06592	3.7
185.06032	3.8
213.05722	4.3
225.05624	10.5
243.06638	29.5
253.05031	16.8
269.04510	5.9
270.05301	29.7
271.06137	100.0
300.05627	4.2
313.03531	5.9
328.06055	3.9
343.08142	9.2
415.10544	8.5
433.11438	29.8
475.12466	97.4
476.12894	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	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.6
61.98815	2.6
71.01375	5.0
71.40866	1.4
73.02924	4.0
83.01331	1.5
83.57284	1.4
85.02959	3.0
89.02441	5.4
101.02454	3.5
110.91293	1.4
113.02444	3.6
119.04986	2.2
121.02944	1.8
122.03683	1.6
131.05086	1.7
133.03008	1.7
134.03714	1.5
134.12979	1.3
135.04504	3.3
136.01665	19.9
137.02501	1.4
143.04984	2.0
147.04504	1.4
151.04015	24.8
157.02945	2.0
158.03751	2.5
159.04520	4.4
161.04559	2.1
165.01901	4.9
169.02954	3.3
171.04607	1.8
173.02403	1.8
175.03960	1.6
182.03738	6.5
183.04555	4.1
185.02477	8.5
186.03255	4.8
187.04060	11.5
189.01874	1.6
195.04710	1.2
195.06674	4.9
197.02417	8.1
198.03233	13.1
199.03972	5.7
200.04559	1.5
201.11319	2.7
210.03285	13.0
211.04070	14.0
212.04482	1.4
213.01949	39.8
214.02731	40.4
215.03514	100.0
216.03883	3.5
223.03954	3.3
225.01915	1.9
225.05663	1.9
226.02742	8.4
227.03517	18.4
229.05090	2.3
237.01891	4.6
238.02757	22.5
239.03503	32.1
240.04088	4.0
241.01451	2.7
241.05124	1.8
251.03384	1.5
253.01466	5.3
253.09300	3.8
254.02240	10.6
255.02960	19.7
256.03799	4.0
265.01474	3.5
267.03094	2.2
269.04544	29.7
270.05063	1.8
271.02408	3.0
281.00940	1.9
282.01727	24.1
283.02512	48.4
284.03094	5.5
285.03943	2.8
286.04791	2.3
297.04095	25.5
299.05493	2.3
314.04376	23.6
315.05115	22.4
357.13553	20.4
359.07953	1.7
387.20206	1.7
419.04477	1.9
419.09845	20.8
443.09729	4.4
487.08987	18.0
488.09448	7.2
519.11426	89.5
519.24237	5.7
520.11688	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	519.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	40.8
65.00319	8.2
69.03442	2.0
69.64451	2.8
69.64854	4.3
78.77488	1.3
94.97119	1.2
98.22574	2.5
103.00378	55.8
110.00121	1.9
111.00877	6.1
124.01684	2.1
131.05034	2.0
132.43382	1.7
135.00890	1.4
136.98831	10.6
137.02414	2.6
137.99583	1.3
138.67886	1.5
145.06598	2.4
147.04559	2.5
157.01436	2.2
157.06554	3.4
164.98277	3.8
169.06543	3.3
171.04536	8.7
171.08182	2.1
173.06093	16.8
197.06126	2.1
199.03998	2.8
199.07585	1.7
213.05502	2.5
225.05621	4.1
239.07077	5.3
241.05087	40.5
242.05562	1.6
243.06624	58.3
243.09146	2.8
244.07051	3.1
265.05090	2.3
267.06616	11.1
269.04565	100.0
270.05045	6.0
293.04538	2.5
311.05554	1.8
325.10672	7.2
326.11548	6.1
327.12506	2.5
329.06552	2.2
343.93500	1.7
353.11737	3.5
357.13483	11.1
369.11484	2.1
397.10968	7.4
415.11914	41.6
416.11920	2.1
475.13611	2.1
519.11780	2.1
519.18738	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	519.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14392	13.7
53.38008	12.0
55.22802	12.8
59.01368	40.4
69.04557	55.8
69.04965	50.6
71.01390	27.6
92.04588	14.7
98.21948	27.5
101.02441	15.2
113.02453	25.3
123.00854	21.1
124.01646	76.2
128.03493	15.0
137.02551	14.1
139.04021	100.0
150.11963	12.6
164.75035	14.6
173.04593	13.8
205.05194	14.0
275.35254	14.4
433.13718	20.4
475.14481	51.4
519.17285	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	519.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
63.04276	0.5
65.00330	1.2
69.14232	0.5
71.01377	0.7
73.02942	0.7
93.03481	4.4
95.01350	0.9
98.22722	1.1
110.00095	1.3
111.00887	13.4
117.03484	5.7
117.97327	1.1
119.05038	10.5
123.00883	0.7
124.01680	2.3
125.02464	1.2
132.29036	0.6
136.98827	1.8
137.02525	0.7
139.00394	69.2
140.00777	1.1
145.02977	4.8
153.02003	1.2
154.02736	54.7
155.03006	1.0
164.98311	8.6
165.99091	0.9
166.99896	5.7
169.05080	65.8
170.05505	1.3
178.99840	3.1
180.00603	3.4
181.01524	0.6
182.02168	4.5
190.99821	0.7
194.02234	3.3
195.02974	1.2
206.02278	0.7
209.04604	1.8
221.04631	1.0
223.04189	0.7
239.03445	1.3
241.05005	1.0
243.06558	1.9
255.69286	0.6
257.04544	1.0
267.02893	1.3
269.04739	0.6
271.06146	3.6
282.05383	0.8
284.03345	1.4
285.04071	34.4
286.04370	1.2
300.06476	9.8
315.08759	100.0
315.19589	2.6
316.09061	3.8
357.13489	3.8
417.73636	0.6
475.12292	2.0
519.14478	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	519.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	6.8
61.98832	2.2
66.71911	1.3
69.03422	2.0
69.06753	7.6
71.01383	3.2
73.02948	1.8
81.03474	6.3
83.01410	2.5
86.02508	1.1
87.04535	2.6
88.95329	1.0
89.02463	1.2
95.01406	2.0
95.05042	6.3
96.96021	2.1
97.02951	4.2
99.04537	2.2
101.02451	1.6
109.02978	1.3
109.06603	1.5
111.04511	3.0
119.05021	2.3
123.00906	2.3
123.04523	2.4
124.01691	5.7
125.02455	25.9
125.03342	2.2
127.05185	1.7
127.07719	1.5
128.03540	3.3
135.04512	3.0
137.02470	4.3
149.02449	1.8
149.99585	10.4
151.07658	4.6
153.05557	1.6
155.03592	1.6
165.01939	1.4
165.09215	9.0
167.03510	18.3
167.07236	1.3
168.00676	22.4
169.91985	1.1
191.07219	2.4
193.08719	3.2
195.06647	21.6
197.02237	1.2
197.04562	2.8
207.06630	7.7
208.07378	1.4
209.08154	2.8
213.01961	2.7
214.02817	1.6
215.03458	3.8
219.06689	1.4
221.08235	2.1
229.13123	1.6
237.07710	100.0
238.08041	3.4
249.07729	5.1
255.03056	1.4
261.07663	3.1
267.08762	27.2
267.11456	2.0
269.04831	1.4
279.08835	1.8
283.02542	2.4
285.04086	1.6
291.08752	1.8
297.04004	1.5
357.05984	4.7
399.13007	53.9
400.13348	4.0
429.14066	19.5
441.13922	1.6
519.13464	19.7
519.24438	2.7
520.13507	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	519.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	1.1
59.01385	21.6
69.34344	2.3
69.34734	2.3
71.01382	13.2
73.02931	2.8
85.02940	3.6
87.00883	1.7
89.02442	8.1
91.01897	2.7
93.03475	1.1
95.01445	1.0
101.02436	7.7
113.02451	4.0
119.01376	4.2
119.03513	3.6
121.02972	5.6
131.86533	0.9
132.02179	1.1
133.05069	1.7
134.03754	1.2
135.04462	1.2
147.00893	3.3
147.04558	2.4
149.02454	35.4
150.02780	1.0
151.04039	0.9
151.06145	7.8
161.82492	0.9
163.04010	3.7
164.04808	34.8
164.06169	2.2
165.01923	1.2
165.05388	1.8
166.06369	1.1
175.00380	35.2
176.00974	0.9
177.05569	1.2
179.05717	1.2
179.07123	4.9
184.54829	0.9
190.02733	93.5
191.03453	7.2
203.07153	1.5
205.05064	100.0
206.05736	9.7
207.03014	3.3
208.03793	3.9
209.04492	1.3
211.08746	1.0
221.08165	9.7
223.06129	74.3
224.06520	1.8
235.19258	0.9
237.07707	2.8
250.04881	1.7
252.41624	1.0
256.16937	1.0
265.07178	33.8
266.07401	1.1
271.02493	1.2
295.07999	6.1
304.44760	1.0
325.09222	7.0
367.10321	2.4
385.11414	2.0
399.12469	1.2
519.17188	98.1
520.17517	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	519.1876
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01383	5.4
64.21916	0.8
64.32227	0.8
69.61280	3.2
71.01389	5.6
72.45316	0.8
73.02976	0.8
73.98402	0.8
85.02960	2.5
89.02477	1.3
98.22630	1.7
101.02449	2.9
108.02173	1.2
113.02469	1.2
119.03500	0.8
119.05027	1.0
121.02968	4.4
122.03750	3.7
123.04478	1.0
127.62527	0.8
134.03763	1.0
135.04539	1.4
136.01677	77.3
137.02441	2.0
151.04027	100.0
152.04356	2.6
160.05287	1.4
161.04492	1.7
162.03186	1.1
163.04083	1.0
175.07649	1.2
311.13083	1.5
342.11282	5.7
343.15845	2.7
357.13467	90.8
358.13773	5.2
363.01767	0.9
375.14459	0.9
470.35272	0.9
519.18365	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	519.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12947	0.8
58.00599	7.1
59.01373	1.7
67.05524	6.6
69.15073	6.3
78.95929	1.9
79.16216	0.8
79.63760	1.0
84.02190	1.8
85.06589	4.8
86.73675	1.2
95.01413	1.2
95.05036	9.3
101.06077	1.4
101.45436	0.9
109.06555	1.0
111.04517	5.9
113.06091	3.4
114.50472	0.8
115.04021	8.1
115.07645	2.3
117.88420	0.9
119.08669	2.4
121.02934	0.9
124.01669	5.9
125.02444	0.9
127.07664	6.2
129.05592	2.0
139.04027	100.0
140.04285	1.5
141.05540	1.1
143.07170	1.0
152.99567	3.1
153.05548	0.8
163.07677	6.1
171.06648	79.1
172.06963	1.4
189.07724	2.0
255.13896	2.6
273.14963	8.8
274.15445	1.1
333.32629	1.0
497.25296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53450	0.2
59.01382	2.1
61.98837	0.5
71.01392	0.4
74.21520	0.2
76.54443	0.2
87.04546	0.3
98.53201	0.2
114.69081	0.2
119.05076	0.7
135.04578	0.4
145.70290	0.2
172.19432	0.2
215.10794	0.4
216.11667	0.5
217.12404	1.9
229.12320	0.7
241.32042	0.2
243.13835	0.4
271.17123	0.6
299.16620	1.3
300.17145	0.3
306.48431	0.2
313.18045	0.6
314.18954	0.6
315.19666	100.0
316.20026	4.6
321.03580	0.4
336.97525	0.2
519.26013	16.3
520.26477	1.1
525.15393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2817
Annotation	Sedumoside F2
Peak:m/z	Relative Intensity
53.16328	0.4
55.01888	1.2
57.03457	3.8
59.01385	13.5
61.98807	0.6
67.01905	0.6
68.99823	0.7
69.03457	0.6
69.46096	1.1
69.46497	1.5
71.01392	17.4
72.99311	5.3
73.02960	1.3
75.00880	25.4
83.01389	0.9
85.02958	19.9
87.00887	7.3
87.68594	0.5
89.02454	2.0
95.01399	2.2
98.21893	0.6
99.00896	4.4
101.02464	1.0
103.00381	1.6
111.00854	0.6
113.02463	15.5
115.00391	1.3
116.01167	2.7
116.92873	0.8
117.01968	0.9
117.03500	0.7
119.05035	1.6
125.09662	0.5
129.01944	1.1
135.04533	0.8
157.01401	1.7
175.02454	3.6
185.11926	1.5
187.04158	0.5
193.12360	1.7
211.13431	4.5
222.45743	0.6
225.14952	3.3
243.16078	1.2
293.21234	6.6
343.24881	8.7
344.25372	0.6
401.25394	0.7
456.43451	0.5
457.27960	1.7
501.27042	1.6
519.28143	100.0
520.28381	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2817
Annotation	Sedumoside G
Peak:m/z	Relative Intensity
57.03459	4.4
59.01387	23.6
61.98841	1.1
63.97198	0.9
69.75331	3.0
71.01392	17.6
71.09296	1.0
72.99312	5.4
73.02953	1.4
75.00882	28.3
83.01421	1.8
85.02967	22.1
85.03475	1.3
87.00873	8.0
95.01392	2.9
99.00887	3.3
101.02447	1.7
103.00392	0.9
113.02466	17.6
113.09718	1.4
115.00383	1.0
116.01176	1.8
117.01910	1.6
117.03574	0.9
119.05038	1.9
129.01930	2.2
149.02589	0.9
157.01442	2.8
171.10272	12.0
175.02495	3.2
185.11920	1.2
195.14035	0.9
212.42007	0.9
231.16028	1.1
293.21295	7.4
343.24954	11.5
457.28119	1.1
501.27322	2.4
519.28180	100.0
520.28418	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	520.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43424	1.1
52.61835	1.0
59.01379	2.9
59.59753	1.1
60.29733	1.1
65.00333	2.0
69.45632	1.1
103.00402	3.0
104.98627	1.3
111.00845	1.2
119.05026	6.1
120.00888	1.1
129.02325	1.5
136.98869	1.6
145.81999	1.3
157.01698	2.9
168.00963	1.2
169.01649	3.9
171.04462	2.1
173.06030	2.4
185.01189	3.5
187.29311	1.5
203.44075	1.2
211.99893	3.7
213.00693	28.5
224.00005	3.2
240.03017	1.2
241.00275	10.0
243.06662	1.9
244.06935	2.3
250.05237	1.2
251.99341	2.4
267.06754	1.7
267.98959	1.4
268.06927	2.0
268.99667	6.3
269.04526	4.8
270.00336	4.2
270.04910	5.0
270.07782	3.7
271.05994	1.5
278.04581	8.2
288.06659	1.9
289.07526	1.3
295.98364	23.1
296.98996	4.7
300.06680	1.6
317.06900	23.8
328.06073	2.0
344.05588	2.1
345.06339	2.9
372.05035	3.0
374.06564	1.3
400.04602	12.9
401.05191	3.2
415.11365	2.0
416.04190	21.9
416.09943	1.7
416.12195	2.5
417.04468	1.7
492.11005	1.6
520.10358	100.0
521.10809	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	520.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	4.4
65.99828	4.8
69.68631	7.0
78.95899	12.7
89.99871	2.5
92.08157	2.4
95.33736	2.2
98.22563	2.5
104.90359	2.1
119.05044	53.1
152.99615	17.5
170.02504	2.5
175.99942	5.8
185.01187	3.1
186.01930	5.6
191.38358	2.6
192.75508	2.4
198.02060	3.5
211.99829	2.7
213.00774	6.9
223.99982	4.5
226.01457	7.2
241.00032	5.4
251.99368	3.6
255.98848	4.1
270.00446	85.4
280.06128	9.9
295.98380	69.6
296.01770	3.2
296.98816	2.6
348.05118	3.9
372.05161	3.2
374.06714	47.5
398.02963	21.1
400.04639	40.2
401.04980	4.4
416.04120	30.0
433.23846	3.9
502.09387	8.4
513.89178	2.7
520.10406	100.0
521.10638	7.5
541.39081	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	520.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98838	100.0
64.15328	0.6
71.01395	2.5
71.39846	0.7
73.02966	0.7
75.00889	2.4
76.69724	0.6
79.95757	2.0
82.95434	1.0
85.02965	1.0
89.02453	1.1
93.03444	0.6
93.39131	0.6
93.59580	0.8
96.96027	1.5
98.44622	0.8
101.02489	1.1
113.02432	0.9
118.45467	0.6
121.02975	1.1
124.09328	0.7
134.03732	1.6
139.00311	0.8
142.51480	0.7
151.04102	0.9
160.01657	1.7
161.02408	3.9
167.03581	1.2
175.04077	1.8
176.04819	2.8
179.03484	6.2
191.07188	1.4
193.05168	2.3
194.05850	7.2
205.05150	0.9
209.08224	19.2
239.05400	0.7
258.68573	0.7
302.99985	0.7
352.20749	0.7
520.17694	3.2
521.15143	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	520.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	33.5
61.98838	100.0
62.74526	0.6
69.06546	0.9
69.06950	3.2
71.01384	3.8
73.02969	2.1
74.02525	0.5
75.05283	0.5
83.01392	0.8
85.02961	1.6
89.02467	0.8
92.36329	0.5
95.14285	0.5
98.21912	1.4
99.00916	0.6
101.02450	3.2
102.83353	0.5
104.54897	0.5
109.03008	0.6
113.02497	1.1
119.05050	0.8
153.71655	0.6
154.30350	0.5
154.31760	0.5
161.04630	1.1
257.04617	0.9
292.62451	0.6
300.02560	0.7
315.27380	0.6
319.80682	0.6
371.20877	0.7
396.99478	0.7
413.21918	0.8
491.19424	1.0
503.19449	0.8
520.12689	0.7
520.27625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59010	0.6
57.03437	1.0
59.01384	34.5
61.98836	100.0
71.01395	3.0
73.02965	2.4
74.02467	0.6
83.01398	1.2
85.02983	0.7
86.85728	0.6
89.01798	0.7
89.02441	1.3
98.22741	1.1
100.36341	0.6
101.02478	2.1
113.02485	2.1
115.52722	0.6
116.93623	0.6
119.03603	0.9
119.05019	0.8
120.35620	0.6
120.90402	0.6
135.04515	1.5
138.54170	0.7
150.27496	0.6
153.01964	0.6
161.04634	0.8
165.16780	0.6
174.26956	0.6
203.05569	0.9
229.03568	0.6
413.21878	1.1
434.86563	0.7
503.19229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20422	36.9
52.47121	41.6
61.98831	38.4
98.22623	100.0
165.64731	45.8
210.00029	45.0
441.68930	44.7
520.22998	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	47.4
88.98831	0.7
96.96027	1.0
96.96963	5.1
102.92967	0.6
144.62833	0.6
145.33173	0.6
150.98058	1.8
152.99597	100.0
163.63875	0.6
171.00687	4.0
229.88420	0.7
265.14877	0.9
279.23337	1.0
282.72961	0.6
369.40155	0.7
433.23590	21.3
434.24115	1.3
441.21875	0.7
453.66278	0.7
520.26569	3.1
537.68176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98867	0.7
66.87400	0.6
69.07994	3.5
77.03522	0.6
78.95911	48.4
96.07430	0.6
96.96979	6.5
144.61325	0.5
150.98055	1.4
152.99603	100.0
153.99963	0.6
171.00668	3.8
229.26828	0.6
242.74002	0.7
262.25574	0.6
314.90408	0.6
360.85187	0.8
433.23639	17.1
434.24161	1.3
474.08917	0.6
520.27020	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	520.3413
Annotation	CHEBI:131658
Peak:m/z	Relative Intensity
69.15281	4.7
69.15699	2.0
98.22620	1.9
119.05009	2.3
185.01242	1.5
213.00734	3.2
222.72333	1.0
241.00089	1.4
255.98917	1.9
269.04630	0.9
270.00430	4.8
279.23331	3.4
295.26251	1.1
295.98352	1.9
374.06741	2.4
398.03314	1.0
416.04056	1.4
435.21771	1.1
447.25089	1.3
455.35406	15.0
487.58728	1.0
520.34100	100.0
521.11127	6.3
521.34576	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	521.0938
Annotation	Spinatoside
Peak:m/z	Relative Intensity
59.01399	2.1
61.90545	0.4
71.01385	1.7
71.41260	0.6
72.99303	1.1
85.02941	2.1
88.51557	0.4
94.80322	0.5
95.01402	1.2
103.00394	0.7
110.00110	0.5
111.00880	0.7
113.02473	3.4
115.96066	0.4
121.02974	4.2
123.00885	3.6
125.02518	0.7
131.03477	0.6
136.98828	0.4
137.99638	0.9
139.00366	4.7
145.03001	0.4
147.00905	1.9
148.01680	1.7
149.02454	22.5
150.03238	7.1
153.01952	5.4
154.02708	3.9
164.98312	4.7
165.99019	0.8
166.99921	0.6
167.77908	0.4
169.05098	4.7
175.00383	1.0
175.02534	1.0
175.03955	0.6
176.01160	13.0
178.99908	0.8
180.00659	2.9
181.01373	0.5
190.99902	0.8
193.03436	2.7
194.02350	0.5
195.02980	1.5
206.02214	0.6
209.04536	0.6
217.01485	0.4
233.01155	0.5
243.03003	1.0
250.29634	0.4
271.02518	0.7
287.01917	1.4
297.00482	0.6
312.02765	0.9
315.01486	15.7
316.01620	0.8
329.03082	0.6
329.13959	1.5
330.03833	29.4
331.04242	1.7
345.06158	100.0
346.06509	5.3
359.14938	1.6
406.92444	0.5
521.09460	1.3
521.20288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	7.4
59.01379	3.2
61.98831	4.3
69.56121	4.7
71.01385	4.1
72.99365	1.4
73.02945	1.4
74.02484	17.1
75.00869	3.2
81.03442	1.7
82.02996	6.5
83.01388	6.0
85.02937	2.8
86.06144	1.6
87.00885	3.0
87.05651	7.1
88.98830	2.8
89.02428	1.8
96.04578	8.6
96.96027	1.8
97.02984	2.2
97.04076	11.2
98.02497	4.4
99.00851	1.5
99.05644	11.7
100.00421	8.4
100.04060	1.7
101.02454	4.2
102.00217	2.1
102.98533	1.4
105.99701	19.8
106.13103	1.3
108.04575	7.4
109.04090	1.4
110.02474	2.5
111.00898	1.4
112.04063	8.9
112.07707	6.5
113.02457	1.4
113.03597	5.3
121.02972	5.1
122.06114	5.0
124.04031	8.9
125.03539	1.4
125.04831	2.3
126.05612	3.5
127.05125	9.3
137.02518	1.7
137.07233	4.2
138.05615	2.1
139.08798	1.1
140.01813	3.3
140.07182	14.5
142.03288	1.4
143.04636	3.9
147.75896	1.2
147.77127	1.1
151.05144	3.4
152.03551	5.7
153.05594	6.4
153.06712	2.1
154.08406	1.2
155.08286	24.7
158.02859	4.4
160.00757	1.7
165.06712	17.5
166.05162	1.3
167.03542	4.0
169.06215	3.0
181.01512	1.4
181.06204	3.7
182.02231	2.3
183.07745	34.3
197.04568	10.6
211.06136	1.6
215.06764	4.2
225.05159	1.8
225.16985	1.4
227.06757	84.5
228.07074	2.2
239.05608	7.9
259.03958	41.8
260.04376	1.7
261.05511	100.0
262.05560	2.8
269.06805	2.4
283.04895	2.0
299.07706	1.9
341.08557	2.2
401.10876	1.3
417.10291	4.4
521.09314	4.8
521.16077	8.3
521.21674	1.5
535.05048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46942	0.6
59.01384	6.1
69.03465	0.7
70.17318	0.6
71.01392	4.7
71.41952	0.7
73.02925	0.6
74.59136	0.6
81.03460	1.4
85.02953	2.1
85.98277	0.7
87.00883	0.6
89.02428	3.3
91.01892	1.2
93.03442	1.7
101.02460	2.4
107.01420	1.0
108.02185	61.7
109.02966	43.3
110.73038	0.7
113.02480	1.9
119.01407	1.8
119.03535	1.8
121.02973	3.0
123.04547	1.4
134.03790	1.0
135.00899	3.0
135.04530	10.3
136.04962	0.8
137.02405	1.0
147.00865	1.1
148.01675	1.1
149.02455	6.0
150.03209	2.6
151.00305	0.8
151.04045	1.2
152.01167	70.1
153.01958	34.2
153.02979	0.5
153.03258	0.8
154.02267	0.8
160.01657	1.4
161.02457	1.4
163.04028	1.2
164.04840	4.1
165.01987	1.7
165.05574	0.9
167.03508	1.1
175.00395	9.5
175.03929	0.9
176.01173	10.7
177.01910	1.0
179.03551	5.7
181.01448	2.5
190.02737	25.6
191.03517	18.0
192.03917	0.7
194.02193	1.6
195.02948	0.9
205.05069	15.7
209.04602	1.7
217.01538	0.7
223.06096	2.6
271.13419	0.8
299.18512	1.0
311.09451	0.8
315.07214	24.7
315.12427	1.4
317.06717	4.6
341.14075	2.0
353.08804	6.0
359.14993	8.3
360.15369	1.1
367.10562	1.3
477.14044	2.9
479.25192	0.8
489.10211	1.6
521.13062	100.0
521.26050	3.3
522.13391	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	521.1304
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.05666	0.6
54.88660	0.6
59.01379	6.4
59.32804	0.6
67.37961	0.7
69.03453	0.7
71.01394	4.8
73.02979	0.6
81.03459	1.8
85.02964	1.8
89.02458	2.7
93.03472	0.9
101.02456	2.5
108.02184	56.6
109.02969	34.1
113.02447	1.5
119.01382	2.2
119.03484	0.8
120.14376	0.6
121.02963	1.8
121.44844	0.7
123.04482	1.1
134.03688	0.8
135.00909	1.7
135.04552	8.4
137.02406	0.8
147.00909	1.6
149.02437	6.4
150.03246	2.6
151.04031	0.8
152.01163	62.3
153.01956	25.5
153.05603	0.8
160.01698	0.8
161.02409	1.1
163.04025	2.1
164.04851	3.9
165.01956	1.5
165.05527	0.9
167.03508	1.3
175.00378	10.4
175.03972	1.2
176.01158	10.1
177.01840	0.7
179.03539	4.4
179.07063	0.8
181.01529	1.4
190.01021	1.2
190.02736	22.9
191.03511	17.3
193.05014	0.6
197.46072	0.8
205.03229	1.3
205.05075	15.1
208.03879	0.7
209.04544	3.0
219.17406	0.8
223.06091	2.0
273.07660	0.7
284.88208	0.7
299.18533	1.5
315.07242	21.1
317.06644	3.3
337.09204	0.7
341.13675	0.7
353.08731	5.8
359.14893	5.0
367.10376	0.7
461.24020	1.8
477.14136	1.9
489.10455	1.9
521.13037	100.0
521.26025	6.8
522.13477	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	521.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72386	1.5
52.46220	1.7
58.02985	9.8
59.01366	3.9
60.28354	1.6
61.69543	1.5
61.98826	5.5
70.02960	1.8
71.01361	2.0
71.14021	2.6
74.02487	11.1
82.02989	12.6
84.00906	1.7
84.04539	3.1
86.02469	4.6
87.05631	6.0
88.98821	3.9
93.03455	1.6
95.21345	1.8
96.00945	1.8
96.04566	3.9
97.00970	1.5
97.04047	5.0
98.02470	2.7
99.05643	14.2
100.00424	5.4
100.04037	2.4
101.02451	5.4
101.07223	1.8
102.97741	1.4
107.06142	3.1
108.04588	9.2
109.04070	2.4
110.02482	3.1
110.06081	2.1
112.04056	3.0
113.03561	5.4
123.05663	6.3
124.04060	6.7
125.03567	4.7
126.04316	2.8
126.05650	12.6
127.05135	6.2
128.03554	33.7
135.05656	3.9
137.07207	3.3
138.05658	2.0
139.63496	1.5
141.06705	4.7
143.04634	27.7
149.07170	2.3
151.05121	7.5
152.03520	2.7
153.06725	13.0
164.08260	6.1
166.09833	2.5
167.04630	4.1
167.08316	8.5
169.06190	4.8
170.03305	3.7
170.04576	1.7
171.04073	2.3
171.07814	1.8
179.04611	11.6
182.09286	2.6
183.44229	1.8
185.05647	5.5
191.04918	2.1
192.07796	2.4
193.06204	2.3
197.05641	7.9
202.06044	1.5
210.08846	11.7
218.04962	3.0
227.04939	2.7
235.11946	3.1
236.06866	2.7
248.06702	3.5
253.13060	3.7
254.07832	20.1
302.08112	17.5
313.31238	1.7
320.09244	10.2
344.13147	1.8
359.15015	9.7
363.13184	2.7
371.09921	2.0
381.13864	2.4
386.10059	2.9
398.10269	1.8
407.12048	5.6
425.13205	2.4
431.14764	5.3
455.12424	19.7
473.13458	37.2
474.14221	1.9
503.12637	2.5
521.13794	100.0
522.14087	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	521.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.5
61.98841	10.7
68.99802	1.2
69.03461	1.1
69.17857	2.5
69.18279	3.7
71.01386	7.7
72.99289	1.1
73.02937	2.2
74.02462	1.6
83.01386	1.7
84.99272	1.0
85.02949	3.5
87.00877	5.2
89.00320	1.4
89.02431	4.3
97.02941	2.0
97.04042	1.0
98.22687	1.7
99.00881	3.0
101.02444	7.0
105.99660	1.6
106.00608	3.4
109.02943	1.9
111.00867	1.9
113.02459	5.1
113.03516	1.1
119.03462	1.1
121.02965	33.7
123.00874	5.3
124.01657	1.0
125.02437	4.2
127.00421	1.2
133.02914	1.4
137.02477	10.7
138.03236	6.9
139.00400	2.2
139.04015	4.4
140.07266	1.0
141.01871	1.2
142.19701	0.9
143.03564	1.2
150.50836	0.9
153.02000	1.6
153.05589	29.9
154.05927	1.3
155.03476	1.7
155.08269	1.8
161.04539	5.5
166.99878	3.5
167.03506	4.0
179.05679	8.5
180.04337	1.6
181.01447	16.1
182.02229	16.0
183.03023	3.2
183.07770	2.2
185.28508	1.1
196.03807	10.4
197.04562	100.0
198.04897	2.3
209.04570	2.2
211.06096	12.3
224.03261	10.4
225.04048	1.3
227.06693	5.7
239.05621	77.0
240.05925	2.3
259.04041	3.0
261.05566	5.8
269.06653	12.7
281.06488	1.1
285.06259	1.2
299.07758	28.4
300.07788	1.3
323.10147	1.3
341.08932	5.4
359.09866	5.2
408.04617	1.0
420.79889	1.1
463.14700	2.3
521.15167	64.7
522.15918	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13583	0.2
59.01385	1.7
61.98842	0.3
69.05899	1.1
71.01395	1.2
73.02959	0.7
75.31940	0.2
83.01402	0.2
85.02961	0.6
93.03471	35.2
94.03794	0.6
99.00878	0.2
101.02463	1.4
110.41250	0.2
113.02480	0.9
116.92838	0.2
137.02463	100.0
138.02811	2.5
141.40891	0.2
161.04559	0.3
172.15541	0.2
202.33981	0.2
239.07098	0.2
242.17853	0.2
263.31125	0.2
269.10468	0.4
359.14984	0.3
383.13330	0.4
401.14722	0.7
521.16711	3.0
522.17322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61508	0.7
59.01379	3.3
61.98853	0.7
69.35276	0.7
70.77076	0.7
71.01382	4.1
71.40126	0.8
73.02946	1.2
85.02967	1.8
96.96043	1.1
101.02458	2.1
111.00906	0.9
113.02489	1.1
121.02975	4.7
122.03790	1.5
123.00916	1.7
133.02979	6.1
134.03720	0.8
135.04544	5.4
136.05316	1.3
137.02475	2.7
138.03217	1.7
143.05060	1.4
145.03021	1.2
147.04544	2.3
149.02460	2.2
149.06116	0.8
150.03255	2.1
152.04753	0.8
153.05611	2.2
158.03737	2.5
159.04532	8.7
160.05315	27.1
161.01106	1.2
161.02458	19.7
161.04602	1.9
161.06093	8.7
163.04060	2.3
164.04800	3.6
165.01970	1.5
166.99875	1.2
173.06134	3.5
174.06844	2.0
175.07660	26.6
176.04762	0.7
177.05609	3.9
178.06354	14.4
178.07838	1.0
179.03516	3.0
182.02284	3.0
192.07924	7.1
193.08690	2.9
195.06691	1.2
197.04558	3.7
221.04634	0.8
243.06616	0.9
280.48795	0.8
314.11548	1.2
323.07764	8.1
329.13962	100.0
330.14359	5.9
344.12567	0.9
359.15012	6.3
393.20465	0.8
477.14053	2.0
503.12112	1.6
521.13031	4.6
521.20728	3.4
528.14966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2036
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
57.03443	1.3
59.01386	39.3
59.52744	1.1
60.01731	1.2
61.98840	8.0
65.00325	2.0
69.24822	2.7
69.25226	4.7
71.01388	19.0
73.02953	9.1
77.04191	1.1
79.23152	1.1
83.01400	3.2
85.02969	7.6
86.00106	1.4
87.00878	1.9
89.02460	5.8
95.01385	2.4
99.00900	2.0
101.02444	12.1
109.02953	2.6
110.00059	1.4
111.00840	1.4
113.02444	6.5
119.03509	1.7
121.02966	3.7
123.04536	1.6
135.04539	22.5
136.98817	1.2
137.02414	2.5
139.00392	2.4
145.02982	2.0
153.01891	2.0
159.04504	2.3
161.02553	1.2
164.98305	5.0
165.99117	5.6
166.99895	2.5
167.03490	1.8
181.01451	16.0
209.04292	1.1
215.03590	1.2
219.79295	1.1
238.06262	1.8
239.06976	1.2
251.07159	1.2
255.06517	1.7
265.08734	1.8
267.06497	3.1
268.07376	4.8
269.08203	4.5
270.08987	2.7
280.07581	1.3
281.08279	10.8
282.08908	8.6
283.09756	7.4
288.80688	1.5
293.08316	3.2
295.09769	3.9
296.10376	1.9
297.11133	1.3
299.09216	3.3
300.09946	1.9
301.03622	2.0
302.04306	2.3
311.09229	4.6
312.09924	1.8
314.11542	8.0
315.12350	3.1
317.06686	34.1
318.06897	2.3
326.11609	14.5
327.12393	9.0
329.13895	7.9
340.09396	1.4
341.13950	12.1
343.11926	2.9
355.12000	5.4
357.13367	1.6
359.14886	4.7
369.13132	2.1
385.15057	2.1
388.75601	1.2
445.15125	1.2
461.14523	1.9
473.14374	7.1
476.16913	9.4
488.16766	10.2
491.19296	100.0
492.19714	6.1
503.19284	96.8
504.19739	7.6
521.13129	2.2
521.26483	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
69.08825	5.2
71.01380	3.9
73.02960	1.5
85.02962	3.2
95.01360	0.9
101.02450	1.5
110.72259	0.8
113.02444	3.7
121.02975	6.1
122.03851	0.9
123.00909	3.3
125.54401	0.7
136.05365	1.4
139.00391	3.6
147.04552	2.6
149.02444	17.1
150.03235	7.9
153.01970	4.0
154.02730	3.2
154.93921	0.9
158.03716	2.4
159.04529	9.2
160.05328	23.3
161.04855	1.3
161.06102	7.6
163.03998	2.0
164.04816	1.7
164.98289	3.8
169.05064	2.4
173.06091	3.3
174.06865	1.9
175.07658	24.5
176.01160	8.9
177.05594	2.9
178.04968	1.5
178.06375	12.8
180.00648	1.8
192.07956	6.5
193.03543	1.8
193.08717	2.3
226.03314	0.8
287.02136	1.0
297.18008	1.0
312.02588	0.9
314.11316	1.0
315.01492	11.5
329.13956	100.0
330.03818	22.3
330.14252	4.9
331.04239	1.0
341.13922	1.0
345.06165	71.8
346.06390	4.2
359.15039	6.4
402.77350	0.8
427.62228	0.8
521.08649	1.0
521.20215	4.3
521.26965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71115	0.6
55.01882	0.8
56.13684	0.6
57.03450	1.0
58.00608	1.0
59.01384	100.0
71.01388	49.5
72.99321	1.5
73.02947	1.3
82.34180	0.6
83.01402	2.1
84.65172	0.6
85.02963	7.8
87.00903	2.9
89.02453	69.2
90.07104	0.6
95.01405	3.8
98.22792	1.6
101.02451	28.2
108.02205	0.9
109.02957	1.6
113.02465	21.1
119.03519	28.4
121.02966	2.2
122.03767	1.2
123.04559	1.3
131.03531	2.8
135.04564	1.1
143.03528	4.4
149.04601	2.8
149.68205	0.7
159.04561	2.9
160.05313	6.3
161.04623	3.6
161.06039	1.9
171.04546	0.9
172.05305	3.4
173.03067	0.7
173.06152	2.1
174.06871	1.0
175.07701	2.5
179.05618	11.5
179.06972	1.0
187.07729	1.2
189.05592	6.5
190.06372	6.3
204.08055	0.8
205.08682	5.2
265.08630	0.8
274.01285	0.8
281.08383	1.9
295.09671	1.2
296.10587	4.0
311.12924	4.2
329.14014	1.2
341.13943	21.2
342.14444	1.1
446.67145	0.8
521.20026	3.9
521.27234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.9
61.98844	5.0
65.23189	2.9
69.72260	12.8
84.31467	3.0
85.02952	4.7
87.04523	68.4
96.96016	3.9
101.06105	9.0
109.06602	4.6
115.04028	100.0
115.07635	7.4
117.40896	4.0
209.62979	3.1
217.15993	4.9
218.24615	3.1
287.20242	12.5
289.14444	25.0
291.19785	4.2
296.31924	3.2
299.20206	5.3
315.19595	4.2
317.21231	57.3
319.13889	5.8
345.17139	10.1
461.21857	55.1
480.60660	3.4
519.04602	3.1
521.27570	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	521.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78995	1.6
59.01384	29.5
59.32507	1.4
61.98848	2.4
69.03442	2.0
69.12971	2.6
69.13374	6.4
69.61533	1.5
72.47999	1.5
78.95925	2.8
87.04526	59.2
88.20167	1.7
90.06512	1.5
97.02986	2.3
101.06108	6.7
101.79928	1.3
113.06064	3.8
113.19206	1.7
115.00373	2.8
115.04025	100.0
115.07652	5.3
117.17267	1.5
117.46451	1.3
152.99609	2.7
178.38519	1.5
189.88251	1.9
245.15587	1.9
289.14456	4.6
345.17120	5.2
363.17966	1.7
433.22385	30.2
434.22989	1.6
461.21893	16.0
493.24472	11.9
503.97305	1.7
521.23828	8.4
522.24048	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	521.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98236	4.8
56.81243	4.6
59.01373	6.2
61.72837	4.8
69.40357	26.0
87.04529	57.4
101.06111	8.0
113.06121	4.9
114.30416	4.7
115.04021	100.0
128.23569	5.0
130.73373	4.9
139.47437	4.7
162.52467	4.3
164.03052	4.9
206.20090	5.3
222.18687	5.5
286.42603	5.0
289.14465	21.1
433.22278	5.3
461.22079	40.3
528.50525	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	521.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01384	28.2
61.98816	1.1
69.03452	2.4
70.08913	2.5
71.05009	1.6
77.22623	0.8
79.73618	0.9
83.05023	0.9
85.02979	4.2
85.20930	0.9
87.04523	60.6
97.02941	1.5
98.21992	1.2
101.06070	5.7
113.06111	2.6
115.00381	2.3
115.04023	100.0
115.07681	4.6
141.01964	1.1
159.81624	0.9
188.60104	0.8
217.16006	0.9
255.17610	1.0
273.18658	1.3
289.14493	6.1
291.19681	1.3
317.17654	0.9
345.16995	4.8
363.18155	0.8
433.22336	30.9
434.22690	2.8
461.15820	1.1
461.21912	14.2
462.22235	2.0
493.24442	12.2
494.24811	1.4
521.23761	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	521.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
61.98835	0.6
87.04557	0.6
106.51985	0.3
116.31791	0.3
119.05044	2.0
141.99623	0.3
145.37572	0.4
187.07660	1.0
202.06386	0.6
231.10248	0.7
283.02466	0.5
283.17136	0.3
284.03217	0.3
285.18588	3.0
287.56635	0.4
301.18088	1.1
315.19620	0.5
316.20477	0.3
317.21237	100.0
318.21579	5.3
442.58499	0.3
461.25687	0.4
467.17441	0.7
521.27606	17.9
521.96497	0.4
522.28052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53828	0.2
59.01384	2.1
61.98841	0.3
71.01416	0.3
87.04537	0.4
93.99680	0.2
114.09116	0.2
115.04032	0.9
117.44974	0.2
139.03981	0.4
157.86588	0.2
162.06905	0.9
176.29536	0.2
231.17622	0.5
243.21198	0.5
258.16235	3.6
259.16904	0.4
259.20645	0.3
271.17117	0.2
272.17819	0.3
285.18610	0.6
287.20197	21.0
288.20544	1.4
299.20203	10.4
300.20486	0.6
301.18002	0.3
315.19666	2.8
316.20313	0.8
317.21231	100.0
318.21579	6.5
359.67499	0.2
461.26239	0.3
521.27600	26.7
522.27954	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	521.289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	24.3
61.98815	5.6
73.02948	16.3
87.04515	55.5
101.06094	7.6
113.06077	8.1
115.04023	100.0
203.14423	5.7
273.18817	8.8
289.14334	19.5
299.42984	5.4
317.21329	10.7
345.17062	8.0
433.22272	6.2
461.21805	34.3
464.27982	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95335	2.6
59.01386	4.6
61.98835	48.5
66.94869	2.2
69.23574	9.8
71.01416	2.8
76.03046	2.4
121.02850	2.6
131.08275	78.6
132.75404	2.4
141.00429	2.6
153.50275	2.6
156.07851	3.5
161.96268	2.4
173.10454	100.0
195.11765	2.4
196.05640	2.5
197.04549	3.3
212.83705	2.6
346.86429	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	522.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76760	3.6
56.49982	3.6
58.61557	3.1
59.01382	9.1
59.40939	3.6
60.60303	3.1
61.98833	100.0
68.91195	3.3
69.64336	3.6
71.01398	8.4
85.02950	8.8
90.69623	3.5
95.01411	5.7
99.00881	4.8
110.85079	3.7
111.00917	4.1
113.02449	33.4
139.14145	3.8
157.90363	4.1
161.65787	3.7
163.00430	5.7
175.02492	7.5
241.16660	3.4
244.68208	4.0
268.03809	58.1
269.03976	6.4
283.06143	55.5
425.28424	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	522.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14221	0.6
61.98827	1.6
64.01926	1.2
65.00329	6.1
65.99854	10.2
68.99810	1.7
73.79976	0.7
74.28312	0.6
76.01926	1.2
106.02983	1.4
108.00914	1.1
111.00823	0.7
118.02979	1.3
120.00922	2.9
122.02454	0.8
125.48809	0.7
130.02969	1.1
132.00914	1.1
133.01706	1.1
134.02432	0.9
136.00417	4.2
136.98781	4.6
142.03027	1.0
143.18063	0.7
146.02481	6.2
148.00415	2.0
150.01981	3.4
152.73367	0.7
157.06602	1.1
162.01974	5.8
163.98718	0.7
163.99878	4.7
164.03581	1.1
165.00632	0.9
169.06700	0.9
170.02438	1.1
171.04553	5.8
173.06049	2.8
173.15152	0.7
174.01942	7.6
175.02750	0.8
175.99890	7.9
177.00641	0.8
178.01575	0.7
180.08138	0.9
181.06473	1.0
182.02473	1.2
186.01961	3.1
190.01445	7.1
194.95471	0.7
196.07597	0.8
197.06093	1.0
198.01956	2.2
200.03397	0.9
202.01451	1.7
203.02216	2.6
208.07602	1.1
209.06099	1.7
210.05482	0.9
212.07407	0.7
213.05577	2.0
214.01537	4.1
216.03029	1.5
217.99042	1.2
218.00961	10.1
224.07146	2.3
225.05540	4.3
231.01811	1.3
234.05835	0.7
236.07149	1.5
238.05185	1.8
239.07111	1.2
240.06689	3.6
241.05128	3.8
242.00987	7.7
242.08296	0.8
244.02472	3.4
246.00526	1.2
248.07300	0.8
250.08597	1.9
252.06665	11.4
253.04982	4.0
255.06494	1.0
266.08276	4.6
266.25223	0.7
267.06726	3.4
268.06183	9.6
270.00439	4.6
270.07736	2.0
276.06650	2.2
278.08221	7.2
280.06174	26.4
281.06555	1.4
288.06750	0.8
294.07739	21.6
295.07904	1.0
295.98502	0.9
296.05637	7.4
302.08148	2.0
304.06189	1.5
306.07800	1.1
308.05563	2.7
318.07803	1.4
320.05740	1.1
322.07220	75.9
323.07532	4.0
330.07550	2.2
346.07162	11.7
350.06366	0.8
374.06747	3.7
390.01157	1.0
390.06201	16.3
391.06317	1.3
400.04507	2.0
408.11407	0.7
418.05682	20.4
419.06189	1.4
436.11731	0.9
450.13562	4.8
478.13150	2.7
494.12445	10.4
504.11154	2.2
522.11957	100.0
523.12329	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	522.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55078	0.7
55.65495	0.6
59.01192	1.5
59.01484	2.0
64.02029	1.0
65.00079	1.6
65.00455	3.7
65.99989	3.8
68.99941	1.4
69.15337	4.6
70.59937	0.7
83.01534	1.1
87.39297	0.8
111.00259	1.5
111.01075	13.1
120.01079	1.3
136.00589	3.2
136.99017	1.5
139.00592	9.7
146.02635	1.3
147.04715	0.8
148.04193	1.0
150.02113	1.0
159.03473	2.9
160.04245	1.3
162.02165	1.6
163.02907	0.8
164.00093	1.4
169.06729	1.3
171.04517	5.3
174.02191	1.9
176.00070	2.5
180.08401	1.7
181.06783	1.2
186.02104	1.5
187.02753	4.5
190.01624	1.9
192.08455	0.8
196.07867	1.1
200.03726	1.7
206.09962	1.1
208.07939	3.3
209.06264	1.6
210.09508	3.0
214.01672	1.1
218.01242	2.6
222.09294	1.4
224.07219	1.1
225.05801	3.5
232.07829	1.1
234.09338	3.5
236.07220	3.8
240.06789	0.9
241.05345	1.1
242.00992	1.4
242.08324	3.7
244.07899	2.2
246.09435	1.0
249.08234	1.5
250.08606	4.0
252.06865	2.5
253.05080	7.3
254.05937	0.9
254.08469	2.6
255.06908	0.9
258.09256	1.4
260.07404	2.1
262.08865	2.1
266.08362	1.0
268.06149	6.5
269.04605	1.4
270.00604	1.3
270.07730	7.7
274.08890	1.9
276.06744	1.4
278.08255	10.4
280.06198	8.1
286.08939	1.1
288.06967	1.8
291.09058	7.6
294.07877	4.2
296.05899	2.7
302.08383	3.7
306.07794	1.8
318.07574	1.0
322.07187	14.9
322.10648	0.9
323.08145	1.7
330.07837	1.3
340.13464	2.4
346.07306	6.6
364.13336	1.3
374.06851	1.0
382.14557	16.9
383.15027	1.6
390.06348	3.5
392.13174	1.5
408.12442	1.9
418.05695	4.0
426.13269	1.8
434.13736	4.1
436.12082	2.4
450.13492	100.0
451.13690	6.8
454.12982	19.4
455.13358	1.1
460.11783	1.0
478.13004	10.4
479.13342	1.0
494.12277	2.0
522.11914	42.4
523.12079	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04655	0.8
65.00353	1.9
65.99870	1.5
69.30013	1.5
69.30405	1.6
72.87013	0.6
79.24093	0.6
89.00382	1.1
93.03497	2.0
106.25117	0.6
117.03517	0.8
119.05021	3.7
146.02522	0.8
156.04623	0.9
159.03220	1.0
170.02516	0.9
171.04564	3.4
175.99887	0.7
182.71489	0.7
184.04050	0.8
186.02063	1.1
187.02827	1.1
190.01532	2.2
193.02940	0.7
196.03979	0.7
198.02065	1.1
199.02843	1.3
200.03342	0.7
201.30812	0.7
202.01521	2.0
212.03534	1.1
213.00833	0.7
214.01543	1.2
215.02397	1.7
218.01057	1.4
220.56845	0.7
224.03586	2.4
226.01378	1.4
228.03014	1.7
236.03682	0.7
240.03024	1.2
241.04921	0.7
242.01102	1.3
243.01743	0.9
244.02512	1.4
250.09077	0.7
252.03104	3.1
253.05222	1.2
256.02527	1.1
265.04123	1.0
268.02649	2.0
268.06213	2.4
270.00537	2.7
270.07706	1.2
274.08844	0.8
278.04977	0.8
278.08109	1.7
280.02582	3.2
280.06210	5.5
283.01288	0.9
284.02103	1.2
292.06165	0.8
294.07828	2.0
296.02029	4.2
296.05179	0.8
297.02658	0.8
302.08151	1.3
309.02997	0.8
311.00510	1.3
312.01453	1.0
314.08295	0.7
318.07635	1.2
322.07208	7.5
324.01511	18.0
324.05219	1.4
330.07761	1.8
332.05692	1.2
337.02362	2.3
346.07153	2.4
374.06821	4.0
375.07181	1.0
384.08957	1.3
386.06720	1.0
387.07477	1.0
390.06482	2.3
400.08087	1.4
415.06940	6.0
416.07596	1.7
418.05606	3.2
428.07779	100.0
429.08154	7.0
450.13657	5.2
454.13019	1.2
478.12955	2.6
494.12381	3.1
505.41962	0.8
522.11963	52.4
523.12451	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	522.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91459	1.2
61.16143	1.5
61.53005	1.4
61.98817	2.4
65.00325	5.3
65.99853	8.0
66.80493	1.4
70.96758	1.8
76.01941	1.3
79.07822	1.3
80.48685	1.4
88.89830	1.2
120.00915	3.6
123.03208	1.4
136.00400	5.0
136.98840	2.7
146.02534	2.0
151.00360	2.7
162.01942	3.5
163.99887	6.1
164.98236	1.5
167.61406	1.4
169.06517	1.7
171.04532	5.0
173.06064	2.4
174.01942	4.4
175.99884	5.3
181.06682	1.7
190.01442	4.5
192.03099	1.6
202.01421	1.5
213.05606	2.4
214.01425	2.1
216.02977	1.9
218.00937	5.0
225.05505	4.1
227.02530	1.5
240.06647	2.1
241.05078	3.5
242.00977	4.9
242.08296	2.6
244.02505	2.7
252.06689	6.4
253.05125	6.8
255.06665	9.2
258.00284	1.4
260.07178	1.7
266.04675	4.9
266.07794	2.7
267.06604	1.8
268.06122	15.8
270.00427	1.5
270.07767	9.2
278.08221	4.0
280.03055	2.7
280.06113	19.1
294.07794	13.0
296.05673	3.5
318.07813	1.7
322.07245	44.8
323.07767	1.9
324.01489	3.0
346.07187	4.6
350.06570	2.5
374.06726	3.8
390.06342	9.3
418.05676	13.0
428.07748	18.7
429.08084	2.1
450.13623	9.2
454.13025	3.4
478.12619	3.9
494.12689	8.2
504.10886	2.3
522.11896	100.0
523.12152	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	522.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65088	0.9
58.32338	0.8
61.98826	2.7
63.02396	3.5
64.01901	1.0
65.00325	10.0
65.99859	4.0
68.23643	0.8
68.99821	2.0
69.12285	2.6
69.12693	3.2
78.95914	1.2
83.01409	4.4
96.00928	1.9
101.03985	1.1
107.01402	9.1
108.00944	1.3
112.83683	0.8
117.03465	1.2
118.02943	1.0
119.05054	3.5
120.00986	0.8
125.02546	0.9
130.02995	1.0
132.04578	1.3
136.00420	15.5
136.98801	3.8
143.05048	3.6
145.02928	1.8
145.06630	4.2
146.02498	3.5
151.00381	11.2
152.99564	2.1
158.02412	1.4
159.03317	0.9
163.99922	11.3
167.05093	0.9
169.06578	3.3
171.04538	7.3
174.01997	3.0
175.99893	2.0
176.03448	2.2
177.01926	1.1
183.08168	1.0
185.06157	1.8
187.02779	2.3
187.07646	2.0
189.04372	0.9
200.03584	3.0
202.01447	6.5
204.02962	1.4
209.06061	3.8
211.04085	1.2
211.07668	3.4
213.05640	8.8
214.01488	1.0
215.02257	2.2
216.02939	2.1
218.00993	1.4
226.01489	1.6
226.05054	1.0
228.03101	2.4
230.00949	5.9
239.03548	9.0
240.06680	2.3
243.01753	4.5
244.02501	2.5
253.05081	66.7
254.05495	2.6
255.06651	74.5
256.06909	3.1
260.07190	1.1
262.08649	1.2
264.06717	2.1
266.04599	56.0
267.04990	2.3
268.03336	2.0
268.06174	30.6
269.06616	1.6
270.00473	1.1
272.02060	4.2
278.04749	1.3
278.08414	2.6
280.06268	5.5
288.06598	1.6
290.08157	3.1
306.07773	9.7
308.09332	4.8
316.06259	1.1
330.07721	1.2
332.09250	2.8
334.07217	39.7
335.07611	1.7
346.07074	1.3
348.08780	2.0
358.07285	1.1
374.06519	1.7
376.08270	70.2
377.08566	3.5
428.07837	1.9
450.13525	3.1
478.13010	3.6
494.12332	3.0
522.11963	100.0
523.12292	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	522.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89899	1.7
58.49493	1.6
61.95296	1.8
61.98833	1.8
70.55659	3.2
86.52357	1.6
87.21301	1.5
93.03458	1.8
117.03439	1.8
119.05022	7.1
149.37883	1.7
157.01585	1.9
162.01952	1.9
169.01094	2.0
175.24463	1.6
186.01953	2.0
187.22574	1.7
196.71390	1.8
200.03419	2.1
215.02312	4.7
226.01465	2.2
244.02429	4.3
254.00928	2.1
255.01744	2.5
256.02533	2.6
257.03360	2.6
270.00394	14.3
271.56992	2.0
272.01865	4.6
279.23227	2.7
280.23682	2.9
294.00217	1.7
297.99902	2.5
306.07809	2.6
308.09415	2.2
312.01492	4.8
316.06207	2.7
330.07855	1.9
334.07306	4.3
346.07172	2.4
358.07275	13.7
374.06741	13.0
376.08255	42.1
377.08109	2.0
384.05026	3.9
400.04590	4.2
402.06287	12.4
416.07697	5.9
418.05374	2.8
428.07471	2.3
450.13458	1.9
486.09204	2.0
504.10687	14.5
522.11951	100.0
523.12305	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	522.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54988	0.9
60.65051	0.8
64.01914	3.6
65.00327	8.9
65.99853	22.9
68.99818	2.2
69.07301	1.7
69.07708	4.3
71.27235	0.9
76.01914	1.4
78.95922	0.8
79.41930	0.8
83.01378	1.6
88.01936	0.9
89.00279	0.9
92.99836	1.6
96.00921	3.8
96.96033	1.0
98.22639	1.4
106.02994	2.3
108.00924	3.4
111.00871	1.7
120.00937	3.9
122.02499	1.2
122.13553	0.9
122.38148	0.9
130.03043	1.1
131.03780	0.8
132.00938	2.8
133.01718	1.8
134.02467	1.5
136.00424	29.6
136.98807	2.8
138.02013	1.1
139.00406	1.5
141.07135	1.1
142.03014	0.9
143.05002	1.6
145.06644	1.9
146.02495	2.0
148.00433	1.8
149.01213	1.3
150.01947	3.3
151.00356	2.6
157.06624	2.1
158.02486	2.2
159.03281	1.4
162.01990	2.2
163.99925	20.8
165.00661	2.7
165.07095	1.6
167.05040	1.2
169.06624	2.9
170.02519	2.6
170.06169	2.0
171.03221	1.3
171.04530	8.9
173.06131	1.3
174.02011	6.0
175.99904	18.7
177.00580	1.5
178.01471	2.7
180.08244	1.0
181.06647	2.1
183.04634	1.1
185.06105	4.6
186.01939	5.9
187.02730	1.7
189.00737	1.2
190.01453	1.4
191.02382	0.8
192.03131	1.0
192.08188	1.7
194.06157	1.9
196.07732	2.1
197.06111	3.6
198.01941	4.7
198.05632	3.2
202.01427	2.6
208.07692	3.5
209.06143	4.2
210.05638	0.9
212.07169	2.8
213.05566	1.7
214.01459	5.0
215.02179	1.6
215.99435	2.4
216.02924	1.1
218.00987	5.7
224.07202	2.2
225.05597	6.4
226.01460	2.4
226.05121	2.4
227.02036	1.1
234.09279	1.8
236.07182	5.2
238.05173	6.1
239.20206	2.0
240.06685	15.4
241.05035	2.9
242.00995	11.7
242.08241	3.4
246.09320	1.0
248.07156	1.2
250.08678	1.3
252.06679	4.6
253.05083	15.0
254.00887	1.1
254.08308	1.5
255.01730	1.2
255.06635	9.3
258.00476	1.3
260.07117	3.2
262.08813	1.4
264.06647	1.6
266.04584	15.2
267.05057	1.5
268.06171	55.3
269.06784	4.4
270.00449	3.6
270.07703	7.6
274.08704	2.1
276.06647	2.4
278.05286	1.1
278.08279	7.5
280.06177	59.1
281.06540	1.6
286.00128	1.6
288.06781	2.1
290.08167	1.4
292.06189	2.4
294.07712	3.8
296.05582	4.8
302.04968	1.0
302.08148	4.8
303.05423	1.8
304.06244	5.6
306.07764	5.3
308.05807	2.1
318.07675	2.7
320.05624	15.4
320.09039	0.6
322.07162	11.0
330.07733	3.2
332.05688	2.5
344.05615	1.5
346.07211	21.7
348.05075	2.6
350.06375	1.1
356.05670	1.4
362.06735	2.8
374.06802	9.2
382.10406	1.3
382.14618	1.4
390.06204	8.9
408.12360	2.1
410.13644	1.3
418.05573	2.8
424.11832	2.2
426.13544	1.6
435.10953	1.4
436.11850	3.1
450.13458	15.7
451.14026	1.3
452.10999	1.4
454.12756	2.3
464.27655	1.3
466.13379	4.0
478.12946	27.6
479.12973	2.3
494.12503	75.8
495.12921	6.7
504.10934	4.0
522.11969	100.0
523.12238	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	522.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82376	1.9
65.00317	5.3
65.99857	19.4
68.99837	2.9
70.96887	3.0
76.44448	2.4
86.97484	2.0
87.41879	1.8
95.17887	2.2
105.73811	2.3
108.00907	2.9
120.00925	4.0
130.02890	2.5
136.00421	24.9
138.77406	2.3
138.78842	2.3
148.00487	2.6
150.01991	2.2
163.48676	2.4
163.99895	18.3
165.00655	3.8
170.02560	2.7
171.04500	5.4
174.01950	9.0
175.99875	16.5
181.06615	2.8
185.06139	5.6
186.01933	4.2
189.00690	2.1
190.01492	3.7
193.74936	2.0
197.06065	4.3
198.01964	5.5
202.01501	4.8
208.07567	2.5
209.06238	4.7
211.45210	2.3
212.07239	3.9
213.05426	3.1
214.01526	5.9
215.99377	2.3
218.00919	6.1
224.07167	3.9
225.05634	5.2
236.07257	2.7
238.05089	5.3
240.06673	14.4
242.00861	13.8
252.06764	5.6
253.04977	12.7
253.27228	2.4
255.06621	10.9
258.08978	2.5
260.07172	3.1
266.04559	14.3
268.06186	54.9
269.06848	5.1
270.00311	3.4
270.07797	6.1
271.05966	4.1
272.06369	4.1
278.08292	7.9
280.06204	55.9
281.06573	2.3
294.07614	5.1
302.08289	4.3
304.06247	3.2
306.07755	5.9
318.07776	4.6
320.05692	15.1
322.07224	8.7
346.07236	20.8
362.06458	4.5
374.06616	7.3
390.06107	8.3
418.05670	3.6
450.13525	8.9
466.12848	4.9
478.12833	28.3
494.12518	73.5
495.12866	6.9
522.11981	100.0
523.12219	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	522.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00668	1.6
65.99838	1.5
67.50004	1.5
69.75539	5.1
80.83461	1.6
83.04427	1.5
93.03457	3.2
94.68692	1.3
119.05042	13.7
130.42279	1.4
149.21681	1.7
160.50452	1.4
186.01920	1.6
213.00664	3.0
214.01289	1.7
215.02249	3.1
226.01465	1.9
227.02464	1.5
242.00826	2.8
255.01787	2.8
255.98785	1.6
256.02432	5.5
269.04440	1.7
270.00424	9.9
280.06165	3.6
294.00323	1.7
295.98398	7.5
297.99789	2.2
312.01352	6.3
322.07047	1.9
328.06094	1.9
346.06921	1.8
374.06744	3.0
384.05148	7.2
390.06226	2.0
398.06857	3.1
400.04410	3.3
402.06271	21.4
403.06586	1.5
416.07938	11.0
418.05640	5.8
428.07614	3.0
432.08575	2.2
450.13736	3.0
494.12509	2.3
504.10870	8.7
522.11920	100.0
523.12317	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	522.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13480	1.1
59.01369	2.9
61.98835	27.3
70.18687	2.0
71.01374	2.6
78.03508	1.3
79.46433	1.1
85.02938	2.3
88.24865	1.0
88.98813	8.4
89.39776	1.1
95.01387	1.3
108.02176	46.2
109.02984	14.5
122.02497	28.6
128.03566	1.3
152.01160	100.0
153.01837	3.5
159.14037	1.1
163.00266	1.1
163.03967	2.3
181.05096	1.3
196.07436	2.5
211.09801	3.7
354.70914	1.2
399.09311	61.5
400.09686	2.7
522.12555	59.5
523.12769	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	522.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.1
61.98835	100.0
65.75814	1.8
71.01370	6.3
71.99561	2.0
72.99305	5.3
75.00873	8.4
85.02958	7.2
85.92450	1.8
92.00315	2.0
95.01420	3.3
99.00835	2.6
105.02476	1.9
111.00884	2.7
113.02457	5.9
117.03370	2.0
119.05032	4.0
120.05370	1.9
122.02496	9.0
133.02939	4.2
149.02461	2.8
182.49280	2.0
187.07584	2.1
193.03581	4.2
211.13307	3.4
219.03050	7.5
243.02989	3.2
303.04913	4.9
325.07407	2.1
330.47614	2.3
395.07721	7.7
427.10406	23.8
459.12985	41.6
485.23840	16.9
486.24438	21.7
522.21698	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98235	2.7
59.01393	3.6
61.98827	4.7
69.74950	9.6
71.01405	2.7
74.96441	3.6
78.95907	3.2
80.94978	2.5
109.02961	66.5
110.94122	14.6
112.93837	25.1
121.02970	9.3
137.02475	22.0
147.04601	4.0
165.01944	100.0
166.02309	3.5
189.05678	5.6
204.21759	3.0
204.92296	25.6
205.92563	3.4
206.92036	31.5
241.05128	3.5
257.04565	9.8
260.83264	2.9
271.09760	6.1
275.05627	47.0
330.65125	2.7
479.11957	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68545	0.6
59.01385	4.5
60.26499	0.6
62.73626	0.6
64.38927	0.5
69.48188	1.5
69.48602	1.6
71.01394	1.1
77.91933	0.6
88.98822	1.5
98.22604	1.1
101.02459	0.7
120.99666	100.0
134.03748	1.3
147.41765	0.5
160.01698	1.2
175.04083	0.7
177.05577	0.7
178.02684	0.6
180.99849	0.6
192.99651	2.1
193.05133	1.4
208.02010	1.4
211.04364	0.8
223.04422	1.7
225.07672	0.8
241.05399	4.8
287.12909	1.7
313.10910	0.6
331.15518	2.3
361.16623	4.0
523.20752	3.1
523.28857	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	523.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28294	1.3
59.09537	1.3
61.98866	1.3
64.01940	1.7
65.00336	6.4
65.99860	3.0
66.32962	1.2
68.99821	5.5
69.15030	8.7
72.02702	1.3
82.02997	7.4
83.01434	1.5
87.58481	1.3
88.92464	1.2
96.00928	4.8
106.02996	17.4
108.00945	2.4
120.00976	1.8
121.01734	1.7
136.00417	30.2
150.01976	2.1
151.02849	1.4
163.99911	23.7
164.98323	3.0
165.00630	1.9
167.08691	12.1
168.08195	4.4
171.04532	41.4
172.04965	2.0
173.06044	2.5
175.99977	1.5
192.08173	2.4
210.09247	15.0
212.07222	7.7
222.72369	1.6
224.07111	3.2
226.05249	2.2
240.06717	3.7
242.08147	3.6
253.02469	7.4
254.08243	43.4
254.10907	2.3
255.06528	1.7
255.08978	1.9
255.36340	1.4
268.06168	100.0
269.04236	2.1
269.06619	5.1
270.07547	7.0
279.08762	1.9
280.05988	1.8
297.01511	3.7
314.08292	1.9
357.08881	2.5
358.07349	2.0
369.10776	1.6
377.07870	2.7
383.07129	1.8
401.07761	5.4
439.97659	1.6
451.13690	7.3
459.13321	2.7
462.13626	3.9
479.12784	2.2
487.13174	1.9
495.12073	2.1
505.14157	4.3
507.74051	1.7
516.13318	1.6
523.12079	10.1
524.13135	2.2
533.40344	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	523.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12850	0.5
52.29347	0.4
60.56124	0.6
64.01917	1.4
65.00326	3.9
65.99846	2.8
68.99821	4.5
71.40464	0.5
82.02994	8.7
83.01377	1.1
96.00922	4.5
101.03963	0.8
106.02995	18.0
106.03725	0.9
108.00931	2.3
109.01725	0.8
110.02509	0.7
117.03419	0.6
120.00912	1.2
123.03315	0.7
130.68874	0.5
133.04077	0.8
134.02498	0.6
136.00418	28.4
136.98793	0.7
139.00415	0.7
142.03012	1.0
143.05020	0.6
145.06577	0.9
148.04089	0.6
150.01965	3.1
162.94582	0.5
163.99921	24.6
164.98389	0.6
165.00708	2.5
167.08662	10.1
168.08174	2.6
169.06650	0.7
170.06110	3.5
171.04539	33.1
172.04846	1.7
173.06058	0.7
175.99846	0.9
180.08200	1.4
184.07692	1.3
186.01967	1.6
190.01390	0.6
192.08223	1.0
197.06226	0.7
198.05515	1.1
200.07098	0.7
210.09251	17.9
211.07820	0.5
212.07170	7.9
218.01050	0.7
224.07243	3.0
225.03076	1.0
225.05453	1.1
226.04979	2.4
226.08766	0.9
240.06631	5.2
241.04974	0.6
242.08197	2.1
243.01257	0.6
253.02628	7.0
253.05049	1.1
254.01041	1.0
254.08240	45.2
255.06615	1.7
255.08768	1.1
267.05634	0.7
268.06165	100.0
269.06760	5.9
270.07693	4.1
278.08344	0.7
279.08539	0.6
280.06192	1.8
281.06363	0.8
285.06674	0.6
290.08218	1.8
294.07684	1.5
295.08243	1.1
297.01581	4.6
297.06082	0.5
315.07654	1.1
322.07193	2.3
323.07574	4.6
347.07596	0.8
349.08014	0.6
358.07303	1.3
374.06512	0.8
377.07715	1.4
391.06470	0.9
398.13998	7.3
399.09579	0.7
401.07959	6.4
419.05872	1.6
451.13684	3.3
455.13263	0.7
459.13635	1.5
462.13318	2.5
487.12723	0.6
495.12796	1.1
496.10550	0.6
505.14063	1.4
523.12103	11.4
524.13416	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	523.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61874	0.7
54.78299	0.7
55.01883	1.9
57.03461	4.2
59.01386	42.3
63.99278	0.7
69.03465	0.9
71.01390	26.8
71.85318	0.8
72.99318	4.0
73.02960	8.2
75.00883	27.2
83.01389	2.8
85.02959	30.6
87.00882	9.2
89.02451	12.8
90.20403	0.7
95.01405	3.1
99.00890	10.7
101.02454	7.5
107.85195	0.7
113.02462	30.7
115.00361	3.6
117.01961	1.4
119.03518	3.5
122.06115	1.5
125.02481	1.1
129.01939	0.9
149.04610	1.0
152.07195	2.1
155.03505	1.0
157.01463	1.2
158.12839	0.7
161.04526	1.9
175.02452	2.7
179.05629	1.5
203.05615	1.3
209.98045	0.8
270.49490	0.8
283.10895	1.9
299.18674	0.9
328.13184	1.4
351.14383	0.8
361.16550	10.2
437.16629	2.9
448.19223	1.8
479.17737	100.0
480.17874	5.6
492.17838	3.3
523.21832	4.5
524.20551	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1677
Annotation	Bidebiline A
Peak:m/z	Relative Intensity
57.03449	0.9
58.56703	0.6
59.01385	13.7
61.32395	0.8
61.98833	10.9
71.01381	10.0
72.99330	1.2
73.02945	1.7
78.01111	1.1
82.00581	0.7
83.01383	1.7
85.02949	4.7
87.00878	1.4
88.98798	1.0
89.02450	6.0
91.78130	0.7
95.01376	1.1
96.95995	1.2
97.02947	0.8
98.22617	1.8
99.00876	1.4
101.02451	10.1
106.00599	1.7
109.02975	1.6
111.00857	1.3
113.02455	3.2
113.76353	0.7
119.03483	2.2
121.02969	32.4
123.00906	4.3
125.02435	1.7
127.00443	0.8
131.03488	0.9
137.02440	6.4
138.03236	5.3
139.00415	1.6
139.03992	4.0
143.03516	0.7
153.01927	1.0
153.05586	31.7
163.06133	3.2
166.99866	2.6
181.01433	10.3
181.07191	4.4
182.02220	10.3
183.03021	5.5
196.03799	6.6
197.04561	100.0
198.04831	3.3
202.99387	0.7
205.07170	1.4
211.06133	8.5
224.03253	7.5
225.03938	1.5
227.06775	0.9
239.05626	49.7
240.05997	1.5
241.04916	1.0
269.06680	6.0
285.06155	1.2
299.07767	15.5
325.11530	5.7
341.08752	2.7
359.09827	1.9
387.09027	0.8
391.15826	0.7
397.91846	0.7
508.14783	0.9
523.16705	71.0
524.17230	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	523.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	31.9
69.10669	85.7
69.11096	100.0
82.90983	27.6
93.52032	30.2
96.96041	34.6
103.79082	26.9
119.52428	27.8
155.60112	33.5
164.23718	27.0
202.80644	27.0
265.14886	35.9
279.50674	30.2
315.27417	25.8
354.92392	28.5
414.75671	29.5
432.60593	33.5
485.43222	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40876	32.5
59.01383	100.0
60.82656	32.7
61.98834	41.0
68.19167	32.0
71.60698	30.4
87.04500	57.9
91.81613	32.1
99.89154	36.0
119.00039	33.5
141.01978	40.2
161.86269	40.4
359.73160	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.9
58.48138	1.3
59.01385	28.5
71.01387	14.1
72.99322	1.3
73.02939	4.4
83.01408	2.9
85.02953	8.2
87.00875	2.3
88.98814	1.3
89.02441	7.1
93.03407	2.0
95.01346	1.5
101.02449	12.6
107.01373	1.5
108.45038	1.4
109.02938	4.2
113.02472	6.0
119.03474	3.0
119.05027	4.3
120.99663	7.9
121.02969	11.4
122.03780	11.2
123.04475	2.2
133.02881	2.1
133.78120	1.3
135.04494	1.8
137.02431	2.2
147.04550	4.2
149.05992	1.6
151.00345	1.8
152.00737	2.6
153.00874	2.3
161.02458	3.4
161.06059	2.1
162.02736	2.1
165.05600	21.4
178.17519	1.4
179.07115	5.3
191.07091	2.1
197.04556	1.3
198.37006	1.4
209.11748	1.9
213.20268	1.2
227.13141	1.3
272.06476	2.6
273.06644	4.8
274.06860	2.9
275.07266	2.0
285.03986	5.6
287.12845	3.2
313.14478	3.0
325.08377	2.0
331.15460	2.7
343.15433	4.7
346.14313	8.0
347.14886	2.1
361.16605	85.4
362.16907	5.3
447.09308	2.5
479.13318	1.9
523.21814	100.0
524.22260	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	523.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59369	0.5
59.01390	1.5
62.08702	0.5
69.53375	1.3
69.53767	1.3
71.01402	0.8
88.57188	0.6
153.01921	0.7
153.28012	0.6
167.03439	1.1
178.02786	0.8
189.05614	2.4
193.05196	0.9
209.04524	1.6
211.06322	0.7
239.39688	0.6
257.11804	0.9
259.13403	1.0
269.11862	5.0
283.09839	1.1
285.11353	1.2
287.12906	46.4
288.13208	1.9
311.12854	1.0
313.14462	16.0
317.13879	0.6
329.13940	3.5
330.14667	1.3
331.15521	65.9
332.15857	3.7
343.15390	1.2
360.15765	1.6
361.16571	100.0
362.16876	4.8
523.21857	72.9
524.22253	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	523.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96954	1.1
53.39669	0.8
55.01876	2.6
57.03434	1.6
58.00577	1.0
59.01384	34.1
65.70953	0.8
67.84738	0.8
69.35675	5.0
71.01386	23.1
73.02943	6.9
75.00900	0.9
79.28249	0.8
83.01392	3.1
85.02962	10.2
87.00899	2.3
89.02448	9.4
95.01381	2.0
96.96054	1.0
99.00865	2.0
101.02457	13.7
102.44822	0.8
103.04014	3.1
108.02216	1.1
109.02974	5.7
109.51768	1.2
113.02478	5.7
119.03503	3.6
119.05019	1.2
121.02967	13.2
122.03751	17.8
123.04559	2.7
129.03522	1.3
133.78256	1.0
134.03766	1.2
135.04573	1.6
136.05266	1.2
136.79256	1.0
137.02498	1.4
138.92384	1.1
147.04536	6.8
149.06104	2.3
154.02890	1.0
161.02541	1.1
161.04573	1.4
161.06100	3.6
162.06807	1.7
165.05583	24.4
179.07161	7.0
188.44852	0.9
191.07178	2.0
203.22928	1.0
223.09799	1.4
281.26398	1.0
294.85818	1.0
298.12024	2.3
299.12872	1.1
313.14478	2.8
315.12350	2.8
328.13214	1.6
329.13885	1.0
343.15399	7.0
346.14182	12.0
347.14804	2.5
361.16580	100.0
362.16898	6.2
426.11713	1.0
523.21881	98.3
524.22260	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	523.2193
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01386	4.4
61.59077	0.4
69.12940	2.4
71.01389	2.6
73.02943	1.4
85.02965	1.3
88.98809	0.4
89.02457	1.5
93.03455	1.0
99.00883	0.6
101.02496	1.9
108.02233	0.6
109.02970	4.3
113.02463	1.5
121.02962	13.3
121.17812	0.4
122.03757	15.2
122.04639	0.9
123.04523	1.5
124.01688	0.7
129.03485	0.9
134.03780	0.7
135.04530	1.8
136.05263	1.1
137.02484	1.0
146.03699	0.7
147.04544	6.0
148.05272	0.8
149.06110	0.9
154.02818	0.5
159.04593	0.6
160.05299	1.1
161.04625	0.8
161.06064	1.9
162.06828	0.6
164.04810	0.4
165.05580	24.3
166.05942	0.6
173.06084	0.5
175.07642	0.9
177.05466	0.5
178.06369	1.6
178.57135	0.4
179.05667	0.8
179.07140	9.0
179.68317	0.4
191.07054	0.6
192.08238	0.3
209.08221	0.7
209.81685	0.4
223.09802	1.0
281.00729	0.4
298.12125	1.0
313.14496	0.9
315.12393	1.6
316.12982	0.4
329.13977	1.4
330.14413	1.0
331.14679	2.7
343.15549	0.6
346.14188	7.9
361.16589	100.0
362.16928	6.3
463.21960	1.2
493.91922	0.5
523.20465	0.5
523.28357	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	523.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.7
55.85321	0.5
57.03393	1.8
59.01319	13.5
59.01648	1.1
60.43077	0.5
60.67997	0.6
61.73154	0.6
61.98772	0.8
69.03433	0.6
69.34815	3.3
71.01318	15.0
71.01739	1.0
72.99245	14.1
73.02947	4.2
73.64790	0.5
75.00874	18.8
83.01347	1.1
83.05028	2.8
85.02955	17.2
87.00893	4.5
89.02457	3.3
95.01385	3.1
96.29784	0.5
99.00894	4.8
101.02450	3.1
103.00361	3.8
107.05875	0.5
111.00834	0.9
113.02460	22.7
115.00363	0.9
115.19459	0.6
116.01173	2.7
116.01807	0.6
117.01890	0.9
119.04937	0.8
125.09664	1.1
129.01884	1.1
131.03445	1.2
133.01408	1.1
141.12819	0.7
149.09633	0.6
151.20589	0.6
157.01292	1.5
157.11473	0.5
171.10164	1.6
175.02454	3.6
184.33676	0.6
185.11716	1.5
193.03535	9.3
193.12233	2.5
197.11624	0.7
211.13416	9.8
249.22079	0.8
267.16031	1.0
276.95880	0.6
293.21246	13.4
311.22296	3.2
439.29205	0.6
469.24686	1.1
486.59619	0.6
487.25507	100.0
488.25967	5.8
523.23218	21.6
524.23590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98852	3.8
62.65108	3.0
69.42473	14.7
71.01374	11.5
73.02969	3.0
85.02954	8.0
87.00868	4.7
98.21828	3.7
101.02436	3.5
113.02495	5.4
118.96962	3.3
146.49585	3.4
155.01428	2.8
179.00185	2.8
196.52321	3.4
271.14682	3.2
273.33185	3.4
293.72101	3.3
358.88596	3.1
382.22333	3.0
403.19595	22.5
421.20776	21.4
430.60172	3.7
504.68872	3.6
523.45276	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28716	1.1
57.98280	1.0
59.01385	2.8
61.98840	2.1
69.86929	2.7
69.87289	2.4
71.01385	2.2
85.02959	2.9
107.01421	1.3
110.12038	1.2
113.02510	2.2
117.33311	1.0
119.25813	1.1
133.03011	3.9
135.94409	1.0
151.00388	3.9
157.37659	1.1
173.06311	1.2
175.03946	2.2
199.03976	2.5
217.05075	1.4
285.04065	100.0
286.04471	4.2
461.07260	29.5
462.07736	2.6
534.03387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04851	5.2
59.01388	39.3
61.98837	100.0
64.76383	5.9
69.18985	33.8
69.53722	6.3
71.01386	16.7
73.02965	10.0
82.85522	5.8
85.02955	8.9
92.55139	4.9
96.96008	7.6
98.21924	12.0
99.00898	8.3
101.02464	8.3
107.56968	5.6
113.02468	9.4
119.04998	7.0
143.04674	36.3
149.04601	7.5
217.99776	5.8
285.04068	62.0
448.19016	7.2
461.07407	28.2
525.23993	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	524.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62054	1.6
59.01385	3.7
61.98834	55.3
65.00330	3.5
65.99856	48.1
67.54969	2.0
68.01395	2.0
71.01391	4.2
77.05788	1.9
85.02978	4.4
95.01392	3.9
99.00928	2.0
110.00124	7.1
113.02460	12.7
120.47012	1.6
120.99332	1.9
128.05083	32.0
137.99596	3.7
146.58284	2.2
160.98872	3.2
163.00380	2.9
165.99139	5.9
170.06128	31.4
171.04573	2.6
173.06064	3.2
175.02498	5.4
188.98349	6.1
190.99858	2.2
209.06227	2.5
211.99800	2.2
216.08336	1.9
216.97845	2.3
220.07918	2.5
221.06157	2.5
229.32025	2.0
232.07678	4.1
234.05614	16.5
244.07732	3.6
248.07153	9.6
249.05469	3.0
256.99677	2.1
264.06644	2.7
265.05054	7.6
267.06677	4.0
270.05353	13.6
272.07205	2.9
276.06683	5.0
279.03055	2.2
285.07693	24.8
286.08124	2.6
288.06683	4.8
292.06314	4.0
293.04492	7.1
295.06100	13.5
300.06744	4.8
316.06244	14.1
321.04028	15.9
339.05014	22.1
344.05676	20.1
388.04608	8.0
397.09979	1.8
404.12970	3.4
406.10852	2.5
420.12524	6.8
430.10709	2.0
448.11911	34.3
492.10944	100.0
493.11444	4.4
524.13239	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	524.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69557	0.6
58.41309	0.7
60.31200	0.6
63.02392	2.8
64.01907	0.9
65.00330	6.8
65.99855	0.8
68.66143	0.6
68.99824	1.1
70.72974	1.1
83.01379	5.1
89.23231	0.8
96.00908	3.6
107.01397	7.4
107.87761	0.7
108.00941	0.8
136.00421	24.1
141.07144	0.8
143.55081	0.7
145.06592	5.5
151.00381	12.2
163.99925	18.7
164.01105	0.9
169.06610	2.8
171.04498	5.2
171.53319	0.7
172.05319	1.0
183.08165	1.1
185.06107	1.9
187.07666	2.4
198.05653	0.9
211.07671	4.6
212.07195	0.8
213.05597	11.7
224.07155	2.2
226.05080	2.2
227.07146	1.4
240.06668	2.1
255.06648	100.0
256.06982	3.4
264.06689	0.9
268.06171	65.6
269.06479	2.5
524.13568	52.2
525.13593	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	524.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81849	0.5
65.00321	2.5
65.99847	1.2
68.99826	0.6
69.95339	1.2
83.01411	1.2
95.01385	1.8
96.00886	0.8
97.75163	0.4
98.02495	1.6
102.43462	0.6
105.94140	0.5
107.01389	1.9
108.02177	0.5
110.02481	2.0
122.02472	1.2
123.00894	1.1
123.03268	2.4
125.02433	0.5
134.02469	1.9
135.03273	3.4
136.00414	7.5
136.01482	0.9
138.02003	1.5
142.22177	0.6
145.06665	1.1
149.99617	0.9
151.00360	3.7
151.02745	1.9
155.02264	0.6
157.06631	0.8
163.99919	6.4
165.00664	0.5
166.01439	0.6
169.06560	1.5
171.04509	3.0
173.06117	1.4
177.00623	1.6
180.08214	0.7
183.08192	0.8
185.06030	1.1
187.07697	1.1
192.02998	1.7
197.06114	0.8
200.07115	0.7
209.06134	0.5
211.07629	1.8
213.05605	4.5
224.07195	2.2
225.05687	1.1
226.05074	0.8
226.08728	1.2
227.07150	1.7
228.06610	0.9
233.19211	0.6
237.05446	0.6
240.06718	2.6
242.08246	21.0
243.08673	0.8
252.06645	0.8
253.05099	3.2
255.06660	26.6
256.06967	1.0
264.06641	0.8
268.03317	1.1
268.06189	17.8
269.06625	1.2
270.07745	32.9
271.08105	1.2
278.08481	0.7
280.06186	1.7
296.05630	0.6
306.07687	0.9
308.09305	1.4
320.05786	0.6
352.08099	1.0
524.13556	100.0
525.13879	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	524.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81849	0.5
65.00321	2.5
65.99847	1.2
68.99826	0.6
69.95339	1.2
83.01411	1.2
95.01385	1.8
96.00886	0.8
97.75163	0.4
98.02495	1.6
102.43462	0.6
105.94140	0.5
107.01389	1.9
108.02177	0.5
110.02481	2.0
122.02472	1.2
123.00894	1.1
123.03268	2.4
125.02433	0.5
134.02469	1.9
135.03273	3.4
136.00414	7.5
136.01482	0.9
138.02003	1.5
142.22177	0.6
145.06665	1.1
149.99617	0.9
151.00360	3.7
151.02745	1.9
155.02264	0.6
157.06631	0.8
163.99919	6.4
165.00664	0.5
166.01439	0.6
169.06560	1.5
171.04509	3.0
173.06117	1.4
177.00623	1.6
180.08214	0.7
183.08192	0.8
185.06030	1.1
187.07697	1.1
192.02998	1.7
197.06114	0.8
200.07115	0.7
209.06134	0.5
211.07629	1.8
213.05605	4.5
224.07195	2.2
225.05687	1.1
226.05074	0.8
226.08728	1.2
227.07150	1.7
228.06610	0.9
233.19211	0.6
237.05446	0.6
240.06718	2.6
242.08246	21.0
243.08673	0.8
252.06645	0.8
253.05099	3.2
255.06660	26.6
256.06967	1.0
264.06641	0.8
268.03317	1.1
268.06189	17.8
269.06625	1.2
270.07745	32.9
271.08105	1.2
278.08481	0.7
280.06186	1.7
296.05630	0.6
306.07687	0.9
308.09305	1.4
320.05786	0.6
352.08099	1.0
524.13556	100.0
525.13879	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	524.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	2.0
65.00344	3.5
65.99856	4.2
68.99810	3.5
71.19830	1.3
79.85799	1.2
83.01408	2.2
96.00930	3.8
124.00479	2.0
132.86617	1.4
136.00374	1.9
136.98863	1.3
145.02974	12.0
150.02023	1.7
163.00433	4.1
163.99936	4.1
171.04567	5.3
173.06094	4.3
175.99907	1.7
178.01402	1.7
186.05663	2.4
189.99173	2.0
190.99934	4.2
191.02357	2.1
212.07234	1.8
228.06703	15.6
232.07553	2.5
238.05212	2.6
240.06830	1.7
242.08284	3.3
248.07191	3.4
254.08215	2.7
255.06622	5.4
260.07214	2.7
266.08289	1.7
267.06677	5.7
268.06213	9.2
269.06564	4.0
270.07706	5.4
276.06851	2.9
277.07782	1.7
278.08221	1.6
280.06146	4.1
282.07635	4.3
292.06238	1.7
295.06076	12.9
296.05933	1.9
304.06226	5.4
306.07825	1.5
309.07635	4.7
310.07288	17.9
332.05765	1.9
375.07709	1.8
376.08234	4.2
378.09897	4.0
398.13992	2.4
405.11188	1.9
408.12564	9.1
429.38031	1.6
452.11395	4.7
480.14316	2.5
486.07956	1.4
492.10989	18.5
510.11981	4.2
524.13556	100.0
525.14099	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	524.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.46984	0.2
61.98835	100.0
69.61745	0.6
69.62139	0.5
71.01364	0.4
85.02975	0.7
96.56863	0.3
113.02453	1.5
135.04530	1.3
285.46753	0.3
292.62497	0.3
461.16617	8.6
462.17184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98835	100.0
69.38087	0.9
71.01392	0.9
85.02945	1.0
89.02457	0.4
95.01385	0.4
101.02470	0.3
113.02478	1.8
135.04529	1.3
142.07474	0.2
155.15987	0.2
163.85886	0.2
186.08717	0.2
461.16708	8.0
462.17276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31352	0.2
54.09659	0.2
55.84757	0.3
59.01391	0.5
61.98837	100.0
67.00035	0.3
70.37280	0.5
71.01404	0.4
83.25140	0.2
85.02963	0.6
113.02459	1.8
129.14841	0.2
135.04573	1.2
222.50040	0.3
238.13504	0.3
300.44934	0.3
461.16721	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	524.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91855	0.7
59.01381	3.0
61.98835	58.7
65.63790	0.6
69.41074	2.2
71.01380	1.5
88.55366	0.8
94.06652	3.5
106.06668	1.2
107.03764	4.6
108.04580	1.6
110.06136	2.0
113.02408	1.0
113.16972	0.7
114.03531	0.7
116.05052	0.7
119.04951	0.7
122.06129	23.1
124.07694	0.8
132.04605	6.5
132.94743	0.7
134.06116	3.4
135.06876	1.1
136.07700	2.4
136.25494	0.7
146.06085	1.0
149.04890	1.0
150.05620	1.0
152.07191	49.0
152.22517	0.6
153.07486	1.2
158.02473	1.6
160.04065	2.3
161.04768	1.1
162.05605	1.2
163.66801	0.7
166.05176	1.0
173.04597	0.7
174.05606	1.3
176.03519	1.9
180.06703	3.7
188.07166	2.3
190.05104	4.8
191.84256	0.7
197.18210	0.8
211.12381	1.5
215.11884	2.1
223.08835	2.6
224.09538	2.8
225.10152	1.1
237.10327	2.2
238.11063	1.6
239.08287	1.1
239.11911	15.2
240.10297	1.6
240.12485	1.3
241.09845	1.7
250.07343	1.2
251.08168	2.1
251.11940	2.5
253.06229	2.9
253.09537	0.7
255.07909	1.3
255.11285	1.0
264.08945	0.9
265.09830	5.4
266.10620	1.9
267.07715	2.4
267.11496	2.0
268.08490	2.2
277.09735	1.1
279.07675	1.6
279.11374	2.2
280.08606	2.1
280.12149	1.3
281.09268	1.3
283.10916	35.0
284.11337	1.5
292.08527	0.8
293.09357	3.7
295.10910	8.4
296.11453	1.3
297.12595	1.0
307.10907	5.4
308.08466	1.1
308.11728	11.7
309.08728	0.8
309.12079	1.2
311.10367	1.2
312.11093	2.1
323.10510	1.3
340.10599	2.9
341.11292	1.5
352.10773	0.8
355.13107	1.0
376.16833	0.9
404.19589	0.8
418.17908	2.1
418.24228	0.8
420.19363	2.0
430.17789	9.4
431.17764	1.2
448.18805	53.5
449.19101	3.4
451.16714	1.0
474.16858	2.6
480.18106	0.7
480.20688	0.7
492.17804	100.0
493.18161	8.4
523.35059	1.2
524.20483	16.5
524.27429	0.6
524.35095	0.8
525.22681	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	524.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.4
61.98837	68.4
65.31988	0.8
69.32799	3.5
71.01382	0.9
71.50368	0.8
73.29068	0.7
80.05070	1.0
85.02921	1.2
94.06631	3.0
106.06671	1.3
107.03791	6.0
108.04578	1.5
110.06120	2.0
112.64973	0.8
121.05373	1.5
122.06136	32.5
124.07684	0.9
131.03809	2.0
132.04601	4.9
132.05469	0.9
134.06128	5.7
135.06943	2.2
136.07678	1.7
137.70877	0.8
146.06094	1.5
150.05666	2.0
152.07191	48.8
153.07393	1.3
158.02498	1.4
160.04082	3.6
162.05673	1.0
164.07143	1.0
174.05649	1.6
176.03548	3.0
180.06750	4.0
188.07242	3.0
190.05045	6.1
191.05545	1.0
203.95853	0.8
208.87271	1.0
211.08775	0.9
211.12447	1.6
215.11815	1.4
223.08846	4.5
224.09579	4.8
236.09518	1.2
237.10347	2.5
238.11160	1.9
239.08266	1.3
239.11917	15.2
240.10332	2.0
240.12523	1.4
241.09976	1.5
241.56473	0.8
249.06633	0.8
249.10281	1.1
250.07588	1.4
251.08327	2.0
251.11986	3.0
252.09019	1.0
253.06224	4.1
253.09792	1.4
255.11443	2.6
259.75674	0.9
263.11890	0.9
264.09012	1.3
265.09845	4.2
266.10648	2.2
267.07874	3.8
267.11380	3.2
268.08511	3.1
271.10864	0.9
279.07852	1.6
279.11441	2.7
280.08621	1.4
280.12161	1.9
283.02618	1.4
283.10907	37.4
284.11154	1.1
292.08676	1.1
293.09299	4.3
295.10864	8.9
296.11542	1.8
307.10995	4.5
308.11572	9.6
309.12347	1.0
311.10559	1.2
312.11273	1.3
324.10803	1.0
340.10541	2.9
341.11542	2.0
352.10516	1.0
355.13159	1.0
356.00537	0.9
375.90332	1.0
418.18015	1.3
420.19318	2.3
430.17725	9.1
448.18811	52.4
449.19138	3.4
458.73090	0.9
461.10989	1.4
464.18344	1.3
470.00220	0.9
474.16647	2.4
480.17902	1.1
480.21521	0.8
492.17816	100.0
493.18295	7.6
506.19421	0.9
524.20380	13.9
525.22589	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	525.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69439	0.4
52.42756	0.5
52.77179	0.4
57.03446	0.5
59.01384	4.0
61.98836	2.7
65.00312	0.5
65.99855	8.7
67.00188	0.6
69.87078	0.8
69.87436	1.1
71.01386	15.8
72.99303	0.5
73.02964	1.5
79.95747	7.6
80.96523	9.7
83.01384	0.5
85.02953	4.8
87.00874	3.7
95.01403	1.5
96.96017	100.0
99.00867	0.6
103.00372	1.1
113.02451	7.5
115.00380	10.8
120.99304	0.7
125.06920	0.4
128.05086	5.6
129.05438	1.3
138.97078	9.4
150.97107	2.4
152.98637	1.1
157.01451	1.6
160.98766	0.5
163.00349	0.9
164.98306	1.2
166.96576	1.5
170.06114	5.1
171.04506	0.9
171.06464	1.8
173.06049	0.5
175.02484	18.6
188.98308	0.9
189.98651	0.6
192.98119	2.2
197.06152	0.6
210.99187	9.3
233.11649	0.6
234.05560	2.1
235.06064	1.1
241.00208	0.8
242.13145	0.4
248.07133	1.2
249.07562	0.7
254.98178	84.4
255.98512	1.4
265.04971	1.2
266.05524	0.9
267.06644	0.6
269.04578	12.1
270.04974	0.6
271.17114	2.5
272.07022	0.6
276.06558	1.1
283.02319	0.7
283.17065	0.9
288.06662	0.6
293.04666	1.7
294.04959	1.2
295.06223	1.3
296.06512	1.3
299.05710	0.5
301.06839	1.1
301.18094	4.0
309.76749	0.5
316.06076	1.6
317.06451	1.5
321.04120	1.9
322.04523	0.8
330.07205	0.5
339.05087	2.5
340.05441	2.3
344.05579	2.8
345.05988	2.4
363.18137	12.6
364.18607	0.6
388.04517	1.3
411.59909	0.5
420.12241	0.8
421.12820	0.9
444.42960	0.6
445.07877	0.8
448.11850	3.3
449.12234	5.9
492.10925	6.1
493.11227	13.6
494.11310	0.6
524.13660	0.5
525.03284	4.0
525.13971	1.9
525.23395	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	525.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23876	0.4
57.03438	0.8
59.01372	3.3
67.01887	0.7
71.01383	12.2
71.82716	0.4
72.99334	0.5
73.02940	0.5
75.00872	0.5
75.86005	0.4
76.54338	0.3
79.95737	5.0
80.96528	7.6
82.97724	0.4
85.02954	4.4
87.00892	2.2
90.25224	0.4
95.01400	1.2
96.96014	100.0
99.00874	0.6
103.00381	1.2
113.02457	6.1
115.00391	7.2
119.02596	0.5
122.97505	0.4
138.97079	7.0
150.97047	2.7
152.65038	0.4
152.98610	1.3
157.01419	1.6
166.96581	1.3
167.03519	0.5
169.06493	0.6
171.04520	1.5
173.06062	0.4
175.02490	14.0
176.02826	0.4
181.06509	0.6
192.98106	1.8
196.67673	0.4
197.06111	2.6
210.99207	7.4
213.05605	0.5
224.04805	0.5
225.05533	1.7
225.09081	0.4
241.05084	1.1
254.98170	73.6
255.98444	1.6
268.03693	0.6
269.04553	40.9
270.04959	1.9
335.30551	0.5
349.00256	3.9
445.07834	6.0
493.11423	0.8
525.03394	8.9
526.03479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.1
59.01382	8.7
63.27673	0.6
69.03466	0.9
69.53297	2.3
71.01386	27.9
73.02940	2.2
76.71529	0.5
79.95739	10.2
80.96522	24.8
83.01365	0.9
85.02950	9.0
87.00871	5.6
95.01378	2.5
96.96017	26.6
103.00379	5.3
113.02452	15.4
115.00383	22.0
122.97587	1.1
138.97087	6.0
147.85811	0.5
157.01393	3.2
166.96538	3.0
174.97096	0.9
175.02486	39.9
176.02811	0.8
192.98157	9.3
210.99225	1.6
236.97099	0.9
239.03514	1.7
254.98166	100.0
255.98456	1.3
267.03033	3.8
268.03723	2.0
269.04617	3.2
283.06281	0.7
445.11450	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	525.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.2
69.95596	2.3
71.01389	24.9
72.99319	1.0
73.02921	1.7
78.95898	1.0
79.95742	7.1
80.96520	20.3
85.02965	6.8
86.51954	0.9
87.00888	4.2
95.01405	1.2
96.95386	1.3
96.96017	20.7
99.00888	0.9
100.22520	0.9
103.00383	3.6
113.02462	12.4
115.00387	20.8
138.97063	3.9
157.01408	2.0
166.96553	3.0
169.06532	1.6
171.04529	2.4
175.02502	28.4
175.03886	1.1
179.03828	0.7
192.90558	0.9
192.98123	7.7
197.06070	3.2
210.99170	2.0
225.05630	1.8
234.75876	0.8
241.05109	1.0
254.98180	100.0
255.98505	1.8
269.04568	37.8
270.04901	1.8
349.00189	9.1
445.07626	5.7
490.46652	0.9
525.03320	1.2
525.22882	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01382	3.8
59.76400	0.3
63.02409	0.6
65.00331	2.9
69.24660	0.5
69.25065	1.1
71.01386	3.3
72.99323	0.4
73.02952	0.6
75.00874	0.9
83.01391	1.3
85.02957	6.5
87.00876	1.0
89.02457	0.5
95.01390	1.7
96.96014	2.5
98.22688	0.6
99.00881	2.3
102.96460	0.4
103.00378	0.4
107.01397	6.3
113.02466	9.8
113.03265	0.5
115.00322	0.5
117.01959	0.6
117.03484	1.1
123.04488	0.5
129.01944	0.4
135.64183	0.3
138.57857	0.3
145.02982	0.6
149.02443	0.5
151.00381	21.4
152.00899	0.3
157.06577	1.1
159.04503	1.3
161.02399	0.8
162.03218	0.7
167.03535	1.4
169.06552	0.5
175.02480	4.2
181.06577	0.6
183.04501	1.4
185.02443	1.3
195.04477	0.3
197.06076	0.7
201.05577	2.1
207.04530	0.3
209.04494	1.6
217.61272	0.3
225.05556	3.7
227.03552	0.7
228.03754	0.3
254.98055	1.6
269.04556	100.0
270.04840	4.0
349.00253	37.3
349.69507	0.3
350.00607	2.0
363.18112	1.5
445.07855	6.4
446.08060	0.3
480.92877	0.3
525.03534	5.3
525.22784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
65.00320	4.0
67.48549	0.3
69.31043	0.8
70.91441	0.3
71.01377	0.9
82.44831	0.3
89.00321	0.7
91.01883	0.9
93.03436	0.4
94.00595	0.7
96.96045	0.9
97.02947	4.0
110.00104	0.9
113.02519	0.4
117.03474	3.6
118.98038	0.4
121.03017	1.8
122.00130	1.3
123.04530	0.3
133.02986	0.7
135.28955	0.3
137.99600	0.5
149.99600	1.9
152.48186	0.3
161.02443	1.7
165.01938	28.3
165.99097	0.7
166.02328	0.7
167.03555	1.0
185.02472	2.0
191.03580	0.5
196.05351	1.3
209.04707	0.4
224.04761	0.5
235.04021	0.6
239.03644	0.4
240.04262	4.7
241.00261	0.9
241.04979	0.5
250.02757	0.5
251.03438	1.8
254.98203	1.0
265.05060	0.7
267.02972	3.1
268.03775	13.4
269.04474	2.4
279.06604	0.3
281.04510	0.8
283.06125	100.0
284.03235	4.0
284.06442	4.3
299.05603	7.0
325.06958	1.5
345.16641	0.3
349.00131	0.4
363.01718	2.6
445.11404	46.6
446.11963	3.1
448.68988	0.3
452.62598	0.4
471.10065	0.3
525.07074	25.1
525.23480	1.1
526.07684	1.9
546.95325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04843	0.4
59.01385	2.8
69.30743	1.7
71.01387	1.2
79.08420	0.5
79.95721	2.5
89.02422	0.7
96.96027	5.3
101.02475	0.7
109.01712	0.6
109.02994	0.6
110.00111	1.4
113.02454	0.9
119.01392	0.8
119.03539	0.5
120.99557	0.7
137.02451	1.6
139.05569	0.6
163.00391	7.5
165.99113	1.5
171.04506	1.3
172.05238	0.6
184.05293	2.5
195.04546	0.7
196.05336	1.8
198.03264	2.4
211.04033	1.7
212.04826	1.2
223.04192	0.6
224.04837	1.2
235.98924	2.1
239.03563	4.8
240.04167	1.6
241.00261	4.2
267.03049	5.5
268.03790	100.0
269.04172	6.2
281.04712	0.6
282.05283	0.8
283.06140	84.3
284.06491	4.6
293.04739	0.6
297.03995	1.0
325.07181	2.4
340.59845	0.5
341.08899	1.0
342.09174	0.8
363.01755	1.1
430.09146	0.8
445.11655	1.0
460.95242	0.5
525.07141	28.8
525.23248	1.5
526.07391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1196
Annotation	Gnetuhainin G
Peak:m/z	Relative Intensity
50.15839	0.6
50.60376	0.5
61.22892	0.5
65.00332	1.8
68.99811	1.7
70.48152	0.5
70.48474	1.0
79.27055	0.5
83.01379	0.9
96.99324	0.6
99.25642	0.5
101.03894	0.5
104.18764	0.5
107.01395	0.7
121.30337	0.5
124.98845	1.1
131.05046	0.6
134.00214	0.6
143.05081	0.9
145.06627	0.8
147.04533	0.6
151.00365	1.1
155.05095	0.7
157.06577	1.1
159.00897	0.7
159.04457	0.6
160.98883	0.7
163.00423	3.0
166.19679	0.6
171.04482	3.9
173.02443	0.7
173.06073	3.1
176.01129	0.8
177.01921	0.7
177.10785	0.6
183.04619	0.6
185.02490	0.7
185.06133	1.3
187.04031	0.7
187.07620	0.6
188.01123	0.6
188.98410	0.7
189.99025	1.1
190.99911	1.4
193.06699	0.9
195.08081	1.4
201.02036	1.1
201.05536	1.8
202.99872	2.9
211.07460	0.6
213.05733	0.8
217.01308	1.1
221.06012	0.6
223.07501	0.9
226.99879	3.7
228.65222	0.5
229.01517	0.8
229.05013	5.7
230.99408	1.0
237.05527	0.7
239.07156	2.1
245.00845	1.5
255.06656	5.0
261.05499	0.6
265.05048	2.0
267.06644	7.3
269.01096	0.7
271.99649	0.7
273.00430	0.9
277.08676	0.9
279.06604	1.3
281.08374	1.3
283.06213	1.3
289.05035	0.8
291.06668	1.4
293.04626	5.2
294.05136	1.2
295.06125	7.0
303.06763	1.0
307.06082	3.5
311.05676	8.0
312.05716	0.7
315.01389	0.8
315.06528	0.7
319.09918	0.6
331.06262	4.2
335.05533	2.0
339.05176	0.8
347.05399	0.8
349.07031	1.0
353.06708	0.9
356.98679	0.6
359.05713	1.5
360.06689	0.7
373.06985	0.9
375.05142	3.2
376.05737	1.6
377.06836	1.4
385.03598	0.8
398.13959	1.3
403.04636	3.4
407.13068	0.6
419.07617	1.2
435.11630	0.6
446.17789	0.6
463.11920	1.2
489.09851	1.3
491.65906	0.7
507.10779	9.1
508.10815	1.0
525.11945	100.0
526.12140	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	525.1195
Annotation	Gnetuhainin G
Peak:m/z	Relative Intensity
62.67473	0.3
64.61877	0.3
65.00323	2.2
68.99820	1.3
70.91452	0.8
74.59258	0.4
77.19989	0.3
83.01399	0.7
84.37762	0.4
85.45686	0.4
95.01415	0.5
96.99326	1.4
99.00896	0.4
107.01400	0.5
108.04536	0.5
117.03502	0.5
119.04831	0.4
123.00922	0.6
124.98846	1.2
128.35872	0.4
131.05048	0.6
133.01694	0.4
133.02943	0.4
135.00879	0.5
136.00275	0.4
136.98822	0.6
141.07101	0.9
143.05037	0.9
145.06592	1.2
147.04587	0.5
149.02454	0.4
151.00401	1.2
155.05066	0.6
157.03012	0.5
157.06560	1.1
159.00865	0.7
159.04536	0.5
160.01715	0.5
160.98909	0.4
161.99513	0.4
163.00375	2.8
164.98401	0.5
169.06572	0.6
171.04526	4.4
173.06097	3.3
175.00328	0.4
175.88356	0.4
176.01131	0.5
177.02040	0.7
178.99991	0.6
181.06563	0.6
183.04460	0.6
183.08182	0.5
185.06058	1.0
186.03348	0.4
187.00244	0.5
187.03975	0.5
189.99065	1.0
190.99881	1.6
192.00569	0.5
193.06543	0.7
195.08188	1.0
197.06160	0.4
201.01938	1.0
201.05634	1.8
202.99870	3.1
205.01337	0.4
206.99367	0.7
211.07620	0.6
213.05611	1.3
217.01419	0.5
218.99324	0.4
221.06110	1.1
223.07587	0.5
225.05708	1.0
226.99886	4.0
227.03427	0.5
229.01401	1.1
229.05074	6.7
230.99319	0.6
237.05544	1.1
239.07179	2.2
241.04857	0.5
242.99338	0.8
243.03188	0.4
244.00125	0.7
245.00935	1.3
247.07674	0.4
249.00348	0.4
249.05547	0.9
249.09378	0.4
251.07196	0.9
253.05061	0.5
255.06636	6.6
256.06952	1.4
256.09509	0.5
259.07574	0.6
261.05560	0.6
263.07239	0.8
265.05038	2.1
266.05981	0.4
267.06668	7.8
268.06146	1.3
269.01001	1.0
269.04382	0.6
270.07697	0.8
270.99014	0.9
271.02347	0.5
271.99615	0.8
273.00537	0.5
275.07239	0.6
276.07828	0.4
277.08618	0.7
279.06586	0.5
280.06168	0.5
281.08170	0.6
283.06021	1.2
287.02063	0.5
287.07254	0.8
291.06631	1.5
292.03665	0.5
293.04562	5.2
294.05219	1.2
295.06100	7.6
303.06662	1.4
305.08099	0.6
307.06189	3.4
311.05634	7.6
315.01440	1.0
317.04489	0.9
321.07660	0.5
331.06201	5.0
331.09763	0.8
333.07843	0.5
334.04315	0.4
335.05685	1.8
347.05334	0.7
349.07138	0.9
353.06619	1.1
359.05566	1.7
363.08838	0.6
373.07349	0.9
375.05164	4.4
376.05768	1.5
377.06702	1.3
385.03397	1.4
387.76239	0.4
398.14005	0.6
401.06482	0.8
403.04623	4.3
407.12698	0.6
419.07599	1.3
435.12131	1.0
463.11816	1.2
481.12137	0.5
489.09793	1.1
493.11060	1.1
507.10855	7.5
508.11035	0.5
525.11951	100.0
526.12256	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	525.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25368	0.5
51.87870	0.6
55.01870	0.6
57.89780	0.5
59.01380	2.6
61.72997	0.6
61.98842	1.1
69.66115	2.2
71.01385	5.0
73.02956	1.8
81.03454	1.5
83.01421	0.6
85.02957	1.9
89.02450	0.8
91.01910	1.5
93.03458	1.3
95.01381	1.2
97.02895	0.7
98.22672	0.7
101.02453	3.6
107.01404	4.2
108.02192	7.1
109.02956	2.2
111.00907	0.8
113.02452	2.2
121.02971	2.1
122.03751	8.2
123.04539	10.2
125.02436	1.2
135.04517	0.7
136.01695	1.6
149.02408	1.1
150.03238	54.0
151.00375	6.1
151.03677	1.1
152.01151	8.7
153.01930	2.4
153.05615	3.9
153.06667	0.8
162.03253	0.9
165.05583	100.0
166.02769	1.7
166.05864	1.5
167.03508	33.0
168.03856	1.1
180.04311	1.2
181.05096	1.3
211.29710	0.5
213.07727	1.2
221.04604	0.9
251.05702	0.6
269.04593	3.5
296.05414	4.5
311.07748	89.9
312.08145	3.8
349.00275	1.4
445.07602	0.6
472.85800	0.5
525.16174	31.2
526.16608	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	525.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01382	6.5
65.00326	3.3
67.01871	1.0
69.08247	3.0
71.01387	5.8
72.99306	0.9
73.02937	1.0
75.00860	1.8
78.45237	0.5
83.01378	2.4
85.02953	7.7
87.00871	1.2
89.02438	1.6
91.01861	2.4
95.01402	2.8
96.96014	6.3
99.00869	2.5
101.02447	0.9
103.00401	0.8
107.01411	7.9
108.02193	5.0
109.02936	2.4
111.00873	1.2
113.01735	0.7
113.02455	12.2
117.03480	4.4
119.05005	1.1
122.03771	1.2
123.04525	11.5
124.77394	0.5
125.02425	1.4
133.02942	1.3
134.03712	1.0
135.04527	0.6
138.97173	0.7
145.02974	11.2
146.03709	2.1
147.04533	2.7
148.84688	0.5
149.02379	1.6
150.03174	1.9
151.00377	29.8
152.01175	5.1
153.01955	0.7
157.06528	1.0
159.04544	0.8
161.02461	9.6
162.01935	1.0
162.03235	16.7
163.04015	1.2
165.05507	0.6
166.02728	6.8
167.03508	29.3
168.03810	0.8
172.25211	0.6
175.02502	2.9
177.05588	5.1
180.04242	0.7
181.05101	5.5
183.04482	2.1
185.02370	1.1
194.02173	3.8
195.06618	0.9
197.06065	1.2
201.05530	2.4
209.04559	43.7
210.04869	1.5
215.49736	0.5
225.05675	3.7
227.03558	0.8
239.05606	7.6
251.03397	0.6
254.98181	0.9
269.04468	100.0
269.06674	8.9
270.04901	5.5
290.74008	0.6
329.08752	2.8
349.00250	37.6
350.00479	1.6
362.90982	0.6
363.18002	1.6
445.07843	7.3
446.08301	0.9
452.42865	0.6
507.15048	10.2
521.24127	0.7
525.03290	5.0
525.15979	1.1
526.03839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77577	1.2
59.01372	9.6
60.18486	1.1
61.45581	1.1
61.98824	1.6
67.01895	1.2
70.65630	1.3
71.01383	5.7
73.02991	1.5
78.93970	1.2
81.03471	1.8
83.01360	2.0
85.02939	1.8
87.00887	2.3
89.02441	2.1
91.01888	8.1
95.01390	2.9
101.02459	3.5
107.01398	5.4
108.02186	13.6
109.02997	6.5
111.00851	2.6
113.02438	4.2
117.03455	6.3
119.05009	4.5
121.02914	2.2
122.03732	3.4
123.00887	2.8
123.04535	33.3
123.76770	1.1
124.01664	3.4
125.02385	1.3
127.05189	1.3
131.11995	1.3
133.02962	3.4
134.03761	2.1
135.04543	3.2
139.04053	1.6
145.02966	30.4
146.03767	5.8
147.04530	6.6
149.02458	5.4
150.03209	3.8
151.00404	11.9
152.01198	12.7
153.01924	3.8
161.02457	27.0
162.03249	43.1
163.04019	8.1
165.05496	1.6
166.02728	13.9
167.03505	89.8
168.03831	2.7
177.05598	13.0
180.04318	3.0
181.05069	18.1
182.19176	1.3
194.02242	10.9
195.02985	1.8
195.06641	3.4
209.04564	100.0
210.05008	2.6
229.14497	1.2
239.05676	16.1
239.08127	1.8
268.37592	1.4
269.06665	41.4
311.07913	1.6
325.09039	1.3
329.08698	8.6
337.96826	1.4
341.08771	2.2
451.12680	1.6
481.17422	2.1
507.15152	27.3
508.15634	3.1
525.16064	15.9
525.22504	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	525.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
62.03256	0.7
62.11110	0.7
65.00328	7.3
66.03494	0.9
68.99831	1.3
70.47398	1.2
83.01387	1.2
98.22604	1.0
101.04012	0.9
102.63342	0.7
118.06614	0.8
120.04551	8.2
122.06132	1.6
142.06638	1.4
144.04597	1.4
145.06552	1.2
147.04578	1.2
157.45116	0.7
160.03984	1.0
160.07726	3.0
161.07243	1.8
162.05637	8.3
163.05135	9.7
165.00694	4.1
169.06627	2.0
171.04518	6.8
184.04034	1.3
186.05620	3.3
187.05162	2.3
201.04384	1.4
203.08421	0.9
204.06665	3.7
205.06174	6.9
210.05765	1.0
212.03546	2.4
212.07130	0.8
215.02245	0.9
225.04445	1.6
228.03189	0.9
228.06654	2.9
229.03870	2.1
229.06256	3.7
230.04585	1.3
248.10866	1.8
250.08762	3.2
253.06233	1.2
254.03116	1.3
255.04060	4.1
255.06494	0.7
256.02600	1.4
266.31143	0.8
269.07089	3.3
270.07275	1.0
271.07300	1.2
272.05615	6.0
272.10904	1.1
274.08804	3.0
288.10278	1.0
290.11908	1.4
291.11380	1.2
292.04877	1.5
293.09454	1.6
297.05106	4.7
314.08310	1.0
314.11813	0.8
315.06189	3.1
315.09256	1.4
316.09799	13.7
317.09540	1.3
334.10815	2.0
341.09369	1.0
358.10751	7.8
359.10519	2.3
360.08701	1.7
376.11938	34.5
377.12079	2.4
383.10324	2.0
385.08237	1.6
392.07608	0.8
401.11435	12.4
419.12515	97.0
420.12701	4.7
446.14001	1.8
449.12018	1.2
464.15073	12.9
465.15137	1.2
489.14795	2.4
507.15640	40.8
508.16034	2.6
525.16724	100.0
526.17102	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	525.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01384	56.2
59.98533	0.9
60.97514	1.1
61.25283	0.8
69.03449	1.0
69.96445	2.5
71.01370	1.3
72.97542	10.9
73.98325	3.0
74.99094	4.5
83.05021	5.1
84.02176	2.2
85.02969	1.5
87.00883	100.0
89.00677	7.7
90.98643	1.0
97.02956	2.5
103.02258	1.4
109.01052	0.7
109.06586	1.0
114.01463	0.9
115.02242	14.4
118.98097	3.9
123.78988	0.8
129.03809	7.5
141.05627	2.4
165.03809	1.1
202.63545	0.9
289.14447	10.0
343.13742	2.2
359.13275	2.2
361.14841	7.5
377.14484	1.6
379.15979	8.2
380.16193	1.4
387.18307	2.5
511.04416	1.0
525.17664	24.8
526.18323	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	525.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50729	11.6
51.85389	13.3
58.96132	10.6
59.17362	10.2
61.98853	22.5
69.26517	72.1
122.02520	22.9
128.33908	12.0
133.02986	34.1
143.81255	13.5
199.04045	22.0
229.18478	11.8
248.93942	11.9
284.03531	13.8
284.89200	12.7
299.01965	66.1
300.02612	13.7
324.30817	12.1
525.17529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73269	16.9
60.41952	16.6
69.16589	100.0
70.07575	16.0
78.30154	16.0
78.91917	19.7
80.49541	16.2
107.12480	15.1
117.28717	15.7
119.05029	54.5
157.16628	18.6
219.85867	18.1
418.63800	20.4
525.21173	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95294	15.2
62.67889	15.4
68.95145	16.3
69.18385	27.1
69.18785	100.0
92.97527	18.3
98.22604	37.5
100.47606	15.3
129.50517	18.1
137.02454	27.0
182.30463	21.0
322.18576	20.7
399.23135	18.3
487.61835	18.6
508.17032	21.4
525.37573	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	525.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56914	1.2
59.01387	12.9
69.07061	1.4
69.81717	3.8
71.01377	3.0
83.05042	1.5
89.02435	1.5
92.80684	1.2
98.00107	2.1
101.02487	1.9
114.45896	1.4
122.03721	2.2
124.01661	6.0
194.65045	1.8
203.10822	2.5
213.12891	2.2
213.14915	2.8
215.14439	2.5
227.81221	1.3
231.80975	1.4
241.12323	1.4
241.16002	1.5
255.17612	18.7
257.04727	1.3
257.19131	12.9
275.20212	17.8
283.17017	13.9
301.18185	10.5
319.19156	34.6
327.16028	48.4
328.16089	2.6
345.17111	47.2
346.17526	3.8
363.18173	30.2
364.18619	2.1
507.22476	2.4
525.23511	100.0
526.23639	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	525.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85952	0.7
59.01394	2.1
69.88974	2.1
71.01405	0.8
71.55062	0.6
72.99306	1.8
83.01378	0.9
85.02951	1.0
98.21944	1.0
101.02476	1.0
108.02198	0.7
113.02522	1.1
119.04984	0.7
147.35760	0.8
167.03426	0.9
242.13164	3.9
255.14073	1.4
267.13818	1.0
269.04486	1.1
271.17050	44.8
272.17477	2.2
283.17050	12.1
284.17252	1.1
286.04456	1.0
299.16663	2.1
301.18094	21.2
302.18384	1.2
315.16034	5.5
316.05780	1.1
327.16107	2.1
343.15778	0.8
345.17084	97.2
346.17517	5.2
362.17230	2.5
363.18161	100.0
364.18451	5.2
403.69775	0.9
525.23456	87.3
526.23865	6.8
534.91577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65525	0.5
59.01384	3.4
65.99850	4.3
71.01389	0.8
74.17242	0.7
83.01341	0.8
87.57928	0.7
96.96009	1.3
119.98022	0.6
128.05067	2.6
128.59392	0.6
129.05365	1.1
135.04446	0.8
147.50952	0.6
170.06146	2.2
171.06458	1.5
204.04172	0.6
217.04962	1.1
228.23918	0.7
234.05646	0.9
235.05943	1.1
254.98233	1.1
261.07687	1.8
262.08481	0.8
267.06500	0.6
268.06232	0.7
269.04443	0.8
285.11292	0.8
286.12213	0.7
301.14420	4.3
312.60013	0.6
317.06659	1.4
327.16055	2.4
331.15521	5.1
340.05447	2.1
345.05908	1.9
345.17059	12.0
346.17468	1.2
363.18176	2.1
405.19354	1.5
449.12341	4.2
481.20535	1.1
493.11258	10.0
525.23438	100.0
526.23889	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98710	0.5
59.01386	1.6
59.54150	0.5
68.23938	0.5
68.39220	0.5
69.35632	2.5
85.02951	0.5
87.00930	0.4
96.08320	0.4
111.63734	0.4
113.02504	0.6
114.33845	0.4
121.75754	0.5
123.04575	0.8
149.06189	0.7
150.03223	1.3
151.00479	0.6
151.04013	0.8
165.05537	1.3
167.03575	2.7
189.09236	0.7
195.06679	0.8
215.14513	0.8
227.10855	0.9
233.08232	0.5
241.12430	1.3
242.13196	2.0
257.15497	33.4
258.15820	1.2
269.04633	1.4
283.17053	4.1
285.04190	0.7
286.04388	0.9
301.14462	4.1
301.18121	7.3
302.18570	0.5
303.12326	1.3
311.07767	2.8
319.02658	0.6
319.15506	5.2
327.16052	0.8
345.17078	57.7
346.17496	2.3
347.15045	1.2
361.16516	0.9
362.17297	1.8
363.18155	100.0
364.18463	4.9
423.27747	0.5
469.03781	0.5
477.14063	2.6
525.23444	55.8
526.23798	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	525.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	45.9
61.98823	4.2
62.79098	1.9
69.14857	7.8
69.15254	3.9
71.01393	14.7
78.95939	1.9
85.02953	5.7
87.82335	1.8
89.02454	13.1
89.03712	1.9
98.21884	3.6
101.02467	8.7
113.02462	5.5
117.03468	2.8
119.03522	5.7
119.05060	3.5
124.01698	5.5
133.02928	2.7
135.04535	3.8
146.35753	1.9
149.81271	1.9
156.54491	1.7
161.04533	2.7
175.19852	1.7
177.01814	2.6
180.06694	2.0
187.04021	2.5
187.07698	2.1
201.09306	2.7
229.08899	2.7
275.20184	31.2
301.18103	20.8
319.19159	11.2
322.31464	2.3
345.17065	10.8
363.18033	11.8
508.30908	2.1
525.23560	100.0
526.23853	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	525.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
61.98846	6.6
64.94109	3.0
75.00880	100.0
101.09769	2.9
119.05083	5.1
135.09232	2.9
154.05713	3.4
483.66702	3.3
488.15894	3.3
545.57202	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	525.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09181	1.1
57.44605	1.1
59.01387	27.4
59.49255	1.0
60.54190	0.9
61.98847	5.8
65.48020	1.1
68.11285	1.1
71.01016	1.1
71.01398	4.0
73.02961	1.1
82.03680	1.1
85.02952	2.2
87.00887	1.5
89.02445	2.5
90.54238	1.1
98.00105	1.2
101.02457	2.4
110.07033	1.2
113.02473	3.5
117.03465	3.1
119.05053	2.3
124.01672	3.0
133.02940	1.6
135.04549	2.7
148.05356	3.0
175.15060	1.7
181.05054	3.0
191.08682	1.1
201.09280	1.4
203.10799	10.0
213.12689	1.1
215.14461	3.3
225.07759	4.7
229.08740	1.6
231.10268	12.0
241.15999	1.3
245.15691	1.2
255.17587	21.0
257.19092	14.5
275.20142	19.7
283.16995	12.1
293.06879	1.9
301.18106	12.9
313.03500	3.0
319.19202	27.0
321.41763	1.3
327.16049	50.7
328.16446	1.8
331.11798	2.5
345.17096	51.5
346.17459	2.0
363.13770	1.8
363.18185	29.7
364.18579	2.6
394.45538	1.4
466.65430	1.3
493.15036	1.5
504.42188	1.3
525.23578	100.0
526.24182	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	525.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29769	100.0
69.30180	46.9
90.27813	24.5
98.67249	23.9
140.51849	25.3
158.94620	23.5
170.70206	30.4
180.18401	24.0
255.33987	23.5
325.18518	42.6
525.27100	31.9
554.76025	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3078
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
50.46539	0.5
54.28531	0.5
57.03482	0.5
59.01386	100.0
59.78441	0.5
60.68778	0.4
61.98827	1.1
69.34114	2.6
71.01388	15.5
72.99348	0.6
73.02956	16.0
81.48899	0.5
83.01406	3.6
85.02968	4.1
87.00919	0.8
89.02458	7.2
94.45273	0.5
95.01404	1.3
98.22665	1.0
101.02451	11.8
109.73068	0.6
113.02462	9.2
119.03541	3.1
119.05055	1.7
122.02464	0.7
131.03581	1.0
134.73134	0.4
143.03589	1.7
148.38670	0.4
149.04591	1.0
161.04591	2.3
168.51497	0.4
179.05716	1.6
192.84213	0.5
218.89787	0.6
348.10648	0.5
420.11606	0.5
465.28897	0.8
483.29749	1.0
511.18115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34724	11.0
59.01384	81.0
61.98825	28.7
62.58545	13.4
69.66866	48.9
71.01392	54.8
73.02967	14.7
80.96542	13.8
81.37721	15.6
85.02928	12.9
89.02464	52.3
94.98083	17.6
97.92571	14.6
99.00848	19.4
101.02463	39.6
111.00802	13.0
149.04590	29.2
160.95088	16.6
165.00291	17.9
202.02747	38.3
294.09650	13.9
295.10941	22.2
300.02875	55.7
301.03555	75.7
313.21317	14.4
327.13434	19.9
371.11859	15.3
403.08743	100.0
463.08594	90.9
526.22400	19.2
527.17987	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10252	11.9
59.01382	70.7
61.98847	35.2
69.70884	36.7
71.01391	25.3
73.02957	18.0
82.22575	12.4
82.83305	10.6
89.02454	28.5
98.21936	25.3
101.02435	22.4
117.33467	12.1
165.00206	15.4
199.03625	13.5
202.02838	18.5
209.38422	12.3
257.15479	25.5
300.02744	44.4
301.03546	52.7
345.17291	14.1
403.08566	56.6
463.08878	100.0
525.29480	13.3
527.18134	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56557	1.0
60.49806	1.0
61.98859	1.2
63.02423	1.5
65.00334	7.7
65.99855	2.9
70.04279	2.8
72.34227	1.2
73.55859	1.1
83.01386	4.1
85.59875	1.3
96.00933	3.6
107.01405	5.5
108.00916	1.6
110.02518	1.8
120.00950	2.0
123.03181	2.0
125.32438	1.0
134.02467	1.8
134.08072	1.3
135.03244	2.2
136.00417	17.7
139.99867	1.3
141.07133	1.7
141.12000	1.1
145.06613	6.0
151.00389	9.6
151.02748	2.2
157.06613	1.6
163.99916	17.6
164.01212	2.4
165.00670	1.8
169.06577	3.2
170.06087	6.6
171.04541	6.5
173.06094	2.1
175.99873	1.3
180.08200	2.3
183.08096	1.9
184.05260	2.1
185.06088	73.3
186.06541	1.5
187.07600	1.5
191.99516	1.6
193.06483	1.9
198.05577	7.1
210.05614	1.9
211.07628	3.4
212.07187	2.1
213.05609	14.4
226.05031	8.5
229.05127	2.7
238.05052	1.8
240.06635	9.7
241.04980	1.7
242.08240	13.3
255.06645	100.0
256.06967	4.3
268.06155	46.6
269.06650	3.4
270.07690	17.6
280.06125	4.4
282.07632	1.4
295.06158	1.1
296.05655	22.8
297.05933	1.9
306.07764	2.6
324.05121	2.4
350.06732	4.8
378.05975	1.9
400.12064	1.5
436.12030	2.9
446.86536	1.2
454.12982	71.9
455.13434	7.1
470.62283	1.3
480.10770	2.1
482.05981	1.7
482.12378	12.9
526.11597	7.2
527.10010	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	526.1146
Annotation	TMC-66
Peak:m/z	Relative Intensity
58.63852	2.6
60.28453	2.4
61.03097	2.7
65.00321	6.0
65.99839	11.2
68.99806	6.7
71.13763	3.3
71.40394	3.1
72.43784	2.6
77.42416	2.8
78.46687	2.8
83.03949	2.8
90.15111	3.3
92.43587	2.5
93.03468	5.2
96.95992	3.0
96.99313	6.0
106.02995	2.9
109.17648	2.5
110.02464	3.0
115.95788	2.7
119.05028	32.2
120.00957	5.6
122.02455	3.5
127.05573	2.8
131.04961	3.0
136.00356	8.0
136.98796	2.9
143.05019	4.6
145.02969	3.3
145.06560	4.7
146.02412	3.6
150.01964	4.4
151.00363	2.7
155.05034	4.0
158.02449	4.0
162.02013	4.8
163.00354	5.5
163.99933	8.9
165.00708	3.3
169.06570	3.7
171.04556	37.4
173.06082	12.4
174.01967	3.8
175.99893	12.4
183.04503	4.3
185.06026	7.0
190.01454	9.2
201.05580	8.7
202.01346	5.5
213.05562	4.4
218.00992	17.9
227.03587	4.4
229.05075	100.0
230.05382	3.1
236.07291	3.4
240.06700	3.1
241.05022	3.0
242.08206	11.4
244.99583	5.0
255.02946	6.2
255.06602	7.8
257.04611	5.7
258.00372	3.8
266.08258	3.5
268.06128	19.1
269.04294	6.7
269.06833	5.7
270.07706	20.8
275.57986	3.0
280.06174	21.2
292.06339	5.2
294.07681	6.8
296.05649	37.7
306.07712	3.9
312.12384	8.4
320.09262	5.8
322.07111	16.8
338.06750	8.6
338.10574	3.5
348.05136	4.7
350.06799	5.0
364.08698	3.5
377.05301	9.2
378.06131	14.3
393.04843	7.4
394.05627	10.2
454.12976	6.3
480.10962	5.0
482.12375	12.0
508.10333	8.9
526.11456	98.3
527.11542	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	526.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
96.96002	0.7
123.02326	0.8
132.76610	0.7
167.03493	1.1
187.09262	0.7
196.74493	0.7
209.04764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.24706	1.8
84.87346	0.4
88.77702	0.3
94.82119	0.3
123.04537	0.6
142.94608	0.3
152.01199	0.5
167.03525	1.8
185.86014	0.3
186.70090	0.4
209.04575	0.8
233.46240	0.4
239.05731	0.4
277.14725	0.3
329.08832	0.4
371.10049	0.5
491.14258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18141	0.3
52.80420	0.3
53.44490	0.3
59.01376	1.1
61.98836	100.0
69.68338	0.9
69.68681	0.3
71.01393	1.0
73.02950	0.5
85.02982	0.5
89.02436	0.5
101.02478	0.4
113.02457	1.5
123.04532	0.8
124.84166	0.3
152.01227	0.6
161.04605	0.6
167.03505	3.9
207.47752	0.3
209.04623	3.2
239.05782	1.0
253.63878	0.4
255.57271	0.4
266.83359	0.4
269.06818	1.5
285.03894	0.3
329.08911	1.5
371.09644	2.0
401.10840	0.4
405.32367	0.3
463.14813	0.6
491.14151	0.6
552.07196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67097	0.9
64.07113	0.9
64.88968	0.9
65.00321	3.8
65.99844	3.2
68.99823	1.6
70.66005	0.8
88.40594	0.9
96.00921	1.1
98.22688	0.9
98.42399	0.9
101.03986	0.8
107.00156	0.9
108.04561	1.1
111.00867	1.1
117.90740	0.8
120.00839	1.7
125.03949	2.0
136.00377	1.5
145.06573	2.2
148.04010	4.3
151.02765	1.1
156.08156	4.1
163.99907	1.4
165.00684	5.8
169.06604	1.2
171.04562	4.3
175.99852	1.6
180.08153	3.4
182.09747	1.4
183.04385	1.0
184.07658	2.8
185.06093	1.8
190.01431	1.9
191.99391	1.0
202.02611	1.1
206.09793	1.9
211.06389	1.1
211.09396	0.9
216.03017	1.4
222.09264	1.1
224.07169	1.0
226.08763	7.4
238.05092	1.0
241.04922	0.8
242.08244	2.7
245.04617	1.8
250.08687	3.8
252.06656	2.7
253.05072	1.3
254.05769	1.1
255.06595	1.2
267.05334	1.1
268.06131	6.2
269.06863	2.7
270.07727	7.0
278.08475	1.0
279.05496	0.9
280.06241	6.2
294.04877	1.2
294.07748	7.3
296.05606	5.9
306.07324	0.9
307.08575	1.4
350.06769	1.3
370.14471	0.9
370.49396	1.0
380.13077	2.2
388.11749	1.1
398.14008	100.0
399.14417	7.0
454.12915	2.7
466.13095	1.6
482.16516	1.4
526.11975	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	526.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98834	1.8
65.00330	3.9
68.99817	0.8
69.76839	1.2
69.77181	1.8
71.01394	1.5
72.01795	0.7
82.02999	2.2
87.87649	0.6
93.03478	3.6
94.02986	1.5
96.99304	0.9
98.22575	1.2
99.00848	0.8
108.02210	0.7
108.04597	0.8
109.03002	0.8
110.00117	4.0
111.00908	2.0
113.02415	1.1
118.02992	4.2
122.03749	0.8
124.01677	1.1
125.02446	0.9
131.08281	3.0
135.04491	1.6
136.04059	14.4
136.98796	6.9
137.02498	0.8
137.99596	2.1
138.01889	0.6
150.03209	1.0
151.00371	1.5
152.01077	1.5
157.06554	1.1
161.02547	1.1
162.01964	4.4
164.98315	3.2
165.01953	1.8
165.05571	1.3
165.99106	3.5
167.03471	3.2
168.03909	1.0
169.06569	1.4
171.04518	6.1
173.06107	3.1
173.10300	0.9
180.02998	7.5
180.04324	1.6
181.06593	1.7
187.00375	0.9
195.06575	0.8
199.04100	0.7
204.03128	1.1
213.05666	1.2
213.14360	0.6
223.07687	3.0
225.05556	1.8
230.63203	0.6
237.09254	2.8
241.05098	23.8
242.85576	0.6
243.04288	1.1
243.06609	9.3
247.07600	0.8
249.13765	0.8
250.02588	0.6
252.06966	0.8
252.71692	0.7
253.05252	0.9
263.07022	0.9
265.08731	9.6
266.08228	3.0
269.04559	61.8
270.05164	12.3
270.07788	1.1
271.06122	16.0
280.09790	1.1
284.09384	0.8
290.08237	5.3
291.06531	1.2
306.07825	1.2
308.09314	6.5
310.15033	1.0
311.07709	2.1
312.08105	2.4
334.07199	7.5
349.00214	0.9
350.00443	2.3
352.08282	100.0
353.08438	5.2
354.14273	1.2
404.44113	0.8
482.20456	0.8
490.17346	0.8
526.17896	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	526.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73030	0.7
59.01372	2.6
60.11383	0.8
61.98825	2.4
65.00324	6.8
68.99226	0.7
68.99793	0.8
69.16570	3.9
70.64268	0.6
71.01389	1.3
79.95730	1.0
81.03442	0.9
82.00645	1.0
82.02979	2.8
85.02959	0.9
89.14503	0.8
92.99807	1.5
93.03474	2.4
94.03030	1.7
96.96004	2.6
98.21870	1.7
99.00888	1.0
101.02424	1.4
109.02961	1.7
110.00107	7.1
110.02544	0.8
111.00893	2.5
113.02473	1.2
115.95194	0.7
118.03006	4.0
124.01714	1.4
125.02477	1.0
131.08276	2.3
135.04546	1.3
136.04054	19.2
136.98810	6.7
137.02403	0.9
137.99643	1.9
139.00372	0.9
146.46313	0.9
148.04027	0.9
151.00352	1.5
152.01111	1.2
161.07216	1.4
162.01984	5.2
164.98286	6.6
165.05659	0.8
165.99083	5.6
167.03491	2.6
169.06609	1.6
171.04546	8.1
173.06099	3.3
173.10466	1.2
176.03564	1.2
180.03044	7.5
181.06618	2.0
189.06752	2.0
199.04105	1.1
201.05597	1.1
203.08385	1.0
204.03009	0.9
211.07542	0.7
223.07695	2.1
225.05547	2.5
237.09282	1.8
241.05075	18.6
242.05664	0.9
243.06676	10.5
263.07065	0.9
265.08688	5.6
266.08466	1.5
269.04556	56.9
270.05127	13.4
270.07788	1.4
271.06131	12.8
280.09711	1.0
284.09204	0.8
290.08344	3.7
291.06668	2.6
299.79938	0.9
306.07678	1.6
306.91138	0.9
308.09360	6.6
310.15225	1.2
334.07294	6.5
350.00372	1.5
352.08279	100.0
353.08347	4.5
354.14163	1.1
361.57965	0.8
446.07947	0.8
526.19037	4.2
527.19244	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.6
57.03469	1.0
59.01385	100.0
60.01712	0.8
61.98838	1.7
65.44463	0.5
68.02544	78.9
69.03468	1.2
71.01391	21.2
73.02954	20.0
73.03368	1.1
82.04134	0.7
83.01395	5.3
85.02961	7.6
87.00881	1.9
89.02451	3.9
95.01389	1.7
97.02961	1.2
97.06593	0.7
99.00883	2.2
101.02451	13.2
113.02455	10.0
119.05038	0.8
125.02422	1.6
131.03465	0.7
143.03461	0.8
152.26288	0.5
159.03021	1.0
161.04572	7.0
165.01131	0.7
209.07402	30.7
210.07661	0.5
239.08186	1.9
248.05835	1.8
311.10342	0.6
322.13281	4.8
349.37021	0.5
383.12741	18.9
384.12836	0.9
401.13739	9.1
443.14453	0.8
450.16318	1.3
466.17725	2.6
484.17828	2.1
526.19385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	65.8
60.01691	1.2
61.01187	1.9
61.98835	2.1
69.37064	3.6
69.37469	2.5
71.01392	2.4
71.36958	1.0
72.97539	5.8
73.98325	22.6
74.00719	2.5
83.36002	1.1
84.02176	11.3
85.02964	4.7
86.02489	22.0
87.02774	3.2
88.10390	1.2
89.00681	87.1
100.98710	1.5
103.71973	1.3
104.41986	1.2
114.03843	3.4
114.05606	1.4
115.02252	100.0
119.05021	1.4
120.01275	15.6
140.05377	1.2
149.04332	2.2
151.02283	2.1
158.02844	2.7
176.03902	11.4
177.03816	5.0
202.05403	2.8
233.10042	3.0
279.08813	2.4
289.14536	9.6
299.16605	1.4
315.14337	1.8
343.13748	46.4
344.13922	2.3
361.14825	45.4
362.15128	2.1
379.15891	50.0
380.16180	2.8
386.17932	3.7
430.16757	6.0
439.18021	5.6
448.18112	10.6
466.19098	13.8
526.21234	25.9
527.25037	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	526.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.7
61.98836	100.0
63.07539	1.3
71.43177	1.8
74.97211	1.2
78.42343	1.2
117.03503	1.9
117.47063	1.0
119.05041	1.6
135.04570	5.5
167.94409	1.2
215.07181	1.6
231.10248	3.0
284.03769	1.2
304.39059	1.2
433.92889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.9
61.98838	100.0
69.57559	0.5
70.76434	0.6
76.28305	0.5
90.30923	0.7
92.77891	0.5
99.06707	0.5
117.03500	0.6
122.02516	2.0
133.02950	0.6
134.23465	0.5
135.04579	1.8
156.70299	0.6
161.02509	0.7
187.07726	0.7
203.10901	0.8
291.19852	2.6
308.26221	0.6
430.13052	0.9
526.18250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98538	0.4
61.98838	3.6
62.99121	0.2
65.00321	0.3
67.01899	0.9
71.01403	1.5
71.41367	0.3
73.02951	1.3
79.95744	0.9
80.96494	0.4
83.01376	0.4
85.02975	0.6
89.02441	0.5
93.03463	0.4
95.01352	0.5
96.96003	2.4
99.00874	0.8
101.02459	0.8
111.00921	0.5
113.02467	0.7
117.03473	0.9
117.76563	0.3
119.05045	1.0
126.81411	0.3
135.04507	0.5
137.02446	0.5
139.00363	0.5
143.05038	1.0
145.02936	1.6
157.06569	0.6
159.03029	0.6
163.00388	0.4
164.01135	0.4
166.99919	0.5
167.05022	0.5
169.06630	0.6
171.04469	1.3
173.06070	0.3
183.04556	0.3
185.06097	2.5
187.04015	4.0
187.07625	0.5
189.05574	0.3
190.99963	0.4
192.00705	0.4
197.06116	1.3
199.04002	0.9
201.05640	0.5
202.06453	0.4
211.04109	0.4
212.24963	0.3
213.05585	6.4
214.05951	0.4
215.03539	0.9
216.02754	1.1
217.05106	0.3
217.08720	0.5
223.04095	0.4
229.05084	1.8
230.05492	0.3
239.03522	1.0
240.04317	0.7
241.00279	2.9
241.05045	3.4
243.03069	0.3
255.03178	0.3
256.03845	0.5
257.04636	1.6
279.08847	0.6
279.12372	0.9
281.08588	0.3
284.03296	0.8
285.04065	100.0
286.04388	4.2
364.99698	1.2
365.19617	1.2
425.04010	0.3
430.16464	0.3
447.09326	6.0
476.90826	0.4
483.19934	0.4
527.05078	21.6
527.18042	0.8
527.25580	1.8
528.05054	1.4
528.19977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42018	0.9
53.42274	0.8
59.01387	3.5
59.73718	1.4
65.00334	1.5
66.56498	0.9
70.99369	0.8
71.01384	13.5
79.95740	6.5
80.96519	8.4
85.02953	4.3
87.00871	2.5
95.01398	1.5
96.96017	100.0
98.95581	0.9
101.24556	0.9
103.00375	1.3
104.83092	1.2
110.67402	0.9
113.02454	9.8
115.00379	8.4
138.97079	8.3
150.97095	2.9
152.01218	1.1
152.98659	1.9
157.01425	2.0
166.96674	1.2
175.02489	17.6
176.02676	1.0
179.04991	0.9
205.37741	0.9
210.99219	9.4
213.40051	0.8
225.05455	1.7
228.96756	1.2
243.06668	5.0
253.05084	1.3
254.98172	76.1
255.98466	2.2
256.98096	3.5
269.04831	1.2
271.06119	15.5
447.09402	2.5
527.04803	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	527.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72612	0.4
65.00349	0.4
69.60633	1.7
69.60976	0.5
95.01424	0.9
96.96025	0.9
107.01472	0.7
110.99183	0.4
111.00888	6.5
116.24540	0.4
117.03514	0.6
119.05044	3.7
123.00900	1.5
125.02475	1.2
136.98811	1.2
139.00371	8.7
151.00381	3.3
152.93311	0.5
161.02457	0.8
164.98259	0.9
166.99924	2.9
169.06641	0.6
171.04581	0.8
178.49191	0.4
178.99860	0.9
185.06123	0.9
192.00662	0.7
195.04582	0.5
197.02492	0.4
199.04050	1.1
213.05626	1.1
217.05000	0.5
223.04057	2.1
225.01929	0.7
239.03520	0.9
241.00264	1.1
242.02231	0.8
267.03137	0.9
284.03140	0.7
285.04065	100.0
286.04453	3.6
364.99802	3.7
396.76495	0.7
447.09348	4.8
527.05029	29.8
528.05414	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	527.0502
Annotation	Kaempferol 3-beta-(6''-sulfatoglucoside)
Peak:m/z	Relative Intensity
54.11823	0.3
59.43152	0.3
65.00339	0.9
67.01900	0.3
77.11229	0.2
79.95728	0.6
93.03470	0.3
95.01378	1.3
96.95983	1.3
98.21748	0.4
107.01400	0.7
110.00101	0.4
111.00887	8.6
117.03491	0.7
119.05035	4.5
120.34972	0.3
123.00881	1.6
125.02444	1.3
131.17436	0.2
133.02980	0.8
135.00880	0.3
136.98817	1.3
137.02455	0.9
139.00386	12.4
143.05057	0.7
151.00371	4.1
161.02461	1.0
164.98317	1.7
165.01961	1.1
165.99086	0.6
166.99878	3.4
167.05067	0.6
168.00168	0.3
169.06625	0.8
171.04526	1.1
173.06052	0.6
178.16066	0.3
178.99850	0.8
179.05006	0.4
185.02524	0.4
185.06052	1.1
190.99855	0.6
192.00636	0.8
195.04515	1.0
197.06073	0.3
198.03230	0.4
199.04030	1.1
211.04048	0.4
213.05591	1.5
217.05061	0.9
223.04028	2.9
225.01990	1.0
229.05025	0.5
229.44337	0.3
239.03603	1.5
241.00258	1.1
241.05013	0.6
242.02213	0.6
243.02925	0.7
257.04544	0.5
267.03006	1.2
269.04471	0.6
283.02725	0.3
284.03302	0.9
285.04065	100.0
286.04395	4.5
322.94299	0.3
323.61484	0.3
364.99667	4.0
366.00052	0.3
441.51913	0.2
445.07388	0.3
447.09332	6.1
447.15079	0.5
527.05023	32.0
528.05286	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0504
Annotation	Kaempferol 3-beta-(6''-sulfatoglucoside)
Peak:m/z	Relative Intensity
59.01377	1.0
61.98824	0.6
65.00325	2.1
69.39136	1.7
75.00965	0.3
79.95740	1.3
80.96537	0.5
85.02931	0.4
96.96022	0.8
101.02444	0.3
117.03423	2.2
119.05076	0.8
136.98825	4.5
137.02425	1.0
139.00398	1.0
145.02972	0.6
149.99617	0.5
150.03207	0.6
163.00276	0.4
164.01071	0.6
164.98312	0.8
165.01941	1.3
165.05527	0.5
165.99068	0.5
166.99876	1.3
169.06598	0.5
171.04558	0.8
172.61670	0.4
183.04582	0.4
185.06096	0.9
187.04041	1.4
190.99805	0.6
192.00656	0.6
195.04483	0.8
197.06128	0.5
199.04037	0.6
200.04819	0.9
211.04044	0.8
212.04872	1.0
213.05583	2.1
215.03389	0.4
221.71605	0.4
223.04036	0.6
227.03523	0.8
228.04282	0.9
229.05096	0.6
238.87430	0.4
239.03598	1.6
240.04233	0.6
241.00351	0.7
241.05070	1.4
255.02969	0.6
256.03851	0.5
257.04645	1.0
267.02966	0.9
268.03546	0.5
269.04688	0.4
283.02484	2.0
284.03293	15.6
285.04065	100.0
286.04422	3.9
298.04947	0.5
321.44748	0.4
327.05051	1.3
364.99585	1.3
447.09344	20.4
448.09598	1.4
466.23813	0.4
527.05029	38.8
528.05280	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0504
Annotation	Kaempferol 3-beta-(6''-sulfatoglucoside)
Peak:m/z	Relative Intensity
51.57264	0.3
53.07299	0.3
59.89211	0.3
67.01900	0.9
69.07948	0.4
75.68507	0.3
79.95737	0.7
80.96529	0.4
84.17163	0.3
87.00932	0.3
95.01418	0.4
96.96012	1.9
98.21823	0.7
117.03529	0.6
123.00915	0.4
133.81216	0.3
143.05031	0.7
145.03003	1.5
157.06540	0.4
163.00401	0.4
167.04979	0.4
169.06621	1.2
171.04512	1.2
185.06036	1.9
187.04042	3.3
190.99892	0.6
191.07402	0.3
191.59598	0.3
192.00684	0.9
195.04414	0.4
197.06166	0.8
199.04022	0.7
211.04002	0.9
213.05591	6.3
215.03534	0.9
217.05038	0.5
229.05025	2.2
239.03445	0.8
240.04262	1.0
241.00246	2.5
241.05070	3.2
243.03169	0.6
257.04593	1.7
267.02951	0.4
284.03320	0.8
285.04065	100.0
286.04437	3.8
364.99738	1.2
396.85391	0.3
447.09390	4.9
448.09354	0.3
524.04370	0.4
527.05048	19.5
528.05450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0506
Annotation	Kaempferol 3-(3''-sulfatoglucoside)
Peak:m/z	Relative Intensity
55.23219	0.4
59.01390	0.5
65.00323	0.6
69.37435	1.6
69.37816	0.7
71.79961	0.4
72.12689	0.4
80.38425	0.3
83.19141	0.4
96.00934	0.4
96.96011	1.3
98.22598	1.0
103.79652	0.4
110.00108	5.2
117.03510	0.8
119.05000	0.7
126.90379	0.5
136.98656	0.4
137.99677	0.4
143.46271	0.3
161.02525	0.5
163.00409	0.9
165.01981	0.7
165.99100	5.3
167.87172	0.4
187.04018	0.6
200.04869	2.3
202.02798	0.5
211.04103	0.8
213.05484	1.0
227.03529	2.1
228.04308	0.9
239.03508	1.2
241.00139	0.6
255.03064	2.2
256.03778	1.5
283.02420	3.1
284.03296	100.0
285.04001	23.8
286.04477	0.9
297.04242	0.7
327.05109	0.9
366.64377	0.4
383.34589	0.4
437.73605	0.4
447.09363	70.0
448.09726	4.1
483.17737	0.5
527.05072	28.1
528.05280	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	527.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.3
61.98837	18.9
69.17358	6.4
71.01384	11.2
73.02956	4.6
81.03454	1.8
83.01394	2.0
85.02965	5.3
87.00891	5.2
88.04111	1.3
89.02465	6.3
91.01917	5.6
95.01422	2.1
96.96031	5.2
98.21890	2.9
101.02447	10.5
107.01435	2.8
108.02188	7.5
109.02964	3.0
111.00917	4.8
113.02460	9.4
119.03555	1.5
119.05047	2.0
123.00932	1.4
123.04531	27.9
124.22520	1.3
125.02444	3.0
139.00404	3.0
143.03473	1.3
149.02310	1.3
150.03345	1.5
151.00372	4.7
151.04085	1.2
152.01170	14.5
153.01865	1.8
161.04579	3.4
164.05791	1.9
166.02718	8.3
167.03506	100.0
168.03893	2.1
171.04601	1.4
175.04063	1.3
181.05093	7.6
194.02217	5.6
195.03104	1.3
209.04553	49.3
221.04596	1.4
239.05594	18.4
241.00201	2.6
247.27467	1.4
269.06671	14.3
285.04083	18.6
296.05341	2.5
311.07724	7.7
323.09842	1.8
326.10803	1.8
329.08737	14.5
371.09833	18.0
398.91245	1.4
401.10956	10.0
431.11795	1.4
447.09018	2.3
458.91043	1.3
485.95670	1.2
491.14108	73.5
492.14462	4.0
527.04657	3.0
527.20337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01385	100.0
69.38801	1.3
69.39207	1.4
71.01395	6.4
72.99313	2.0
73.02968	0.6
74.94141	0.6
75.00880	6.0
85.02953	8.0
87.00880	3.9
89.02457	1.8
95.01400	1.9
96.96030	0.8
99.00880	3.3
101.06033	0.9
103.00375	1.0
106.22436	0.6
113.02472	12.7
115.00350	0.9
115.04075	0.8
121.02971	4.2
129.01984	0.8
135.04530	4.1
161.75940	0.5
175.02536	1.2
205.07182	1.0
212.29320	0.6
231.05188	0.8
249.06209	2.3
265.14670	0.8
267.07239	2.8
274.93390	0.5
277.21759	21.1
278.22028	0.7
311.09097	0.5
405.19214	0.6
509.27570	0.9
527.28687	26.7
528.28955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.4
57.03449	5.4
58.00586	0.8
59.01384	39.0
62.58177	0.6
69.03450	2.4
69.25608	3.0
71.01386	49.1
72.99315	1.1
73.02950	17.1
75.00851	0.6
81.26197	0.6
83.01389	6.9
85.02956	26.9
86.00091	0.7
87.00883	2.1
89.02449	11.9
94.20170	0.5
95.01387	5.1
97.02943	1.1
98.57063	0.5
99.00891	5.3
101.02448	35.0
101.93573	0.5
111.00884	0.7
113.02463	22.4
118.85899	0.5
119.03514	5.6
125.02473	1.3
129.01933	0.8
135.08167	0.7
143.03505	0.9
159.03021	2.3
161.04561	8.4
189.12845	2.5
191.14330	0.8
205.15947	0.8
207.17630	0.9
259.20715	2.7
275.20190	4.6
276.20496	0.6
277.21738	10.7
285.03745	0.8
301.18271	0.8
303.19641	4.9
305.21149	0.6
321.20685	9.4
347.18658	4.5
365.19690	15.0
366.20166	0.9
483.26050	35.6
484.26312	2.8
499.55508	0.6
506.19296	0.6
527.25000	100.0
528.25354	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	527.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
58.09734	1.2
59.01384	31.7
65.62224	1.0
67.30634	1.1
69.03460	1.4
70.23138	1.9
70.23481	1.9
71.01022	1.5
71.01385	17.6
73.02955	3.6
83.01395	2.7
85.02956	8.0
89.02452	10.5
95.01404	2.4
98.22556	1.2
99.04512	1.5
101.02457	13.2
113.02502	6.6
119.03506	3.4
124.01656	2.8
130.27902	1.2
135.24644	1.2
153.09288	1.1
184.93474	1.0
187.20653	1.0
247.20683	1.7
279.71243	1.2
303.19724	12.7
321.20789	3.6
351.17160	1.5
483.26129	14.3
509.24002	7.5
527.25012	100.0
528.25232	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	527.2504
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
57.03435	1.2
58.00583	0.8
59.01386	36.8
61.98824	2.1
69.35220	1.7
69.35637	2.5
71.01394	11.3
73.02943	3.8
74.86945	0.7
78.95915	0.9
78.98608	0.7
80.96529	1.7
83.01399	1.0
85.02959	6.7
87.04528	2.3
87.37238	0.7
89.00699	0.9
89.02452	5.7
93.03476	2.7
95.01399	1.5
97.02966	5.3
98.21767	0.9
99.00896	1.1
99.04520	3.1
101.02459	5.2
103.04075	1.3
109.02956	0.8
110.00091	1.4
111.00859	1.1
111.22099	0.9
113.02424	3.6
115.02235	1.3
117.03448	1.1
119.05033	2.9
123.04539	1.6
124.01694	4.3
125.02448	1.1
133.02963	1.0
135.04550	4.0
137.01512	1.1
137.02461	7.3
145.02943	0.9
153.05711	0.8
159.04457	1.0
161.02505	0.9
161.04605	1.1
172.05342	1.1
173.06087	0.8
173.09685	2.0
185.09663	1.1
187.07674	7.0
187.11345	3.0
189.12822	1.7
201.05632	1.8
201.09322	1.2
201.12941	1.1
202.06361	3.8
203.10800	1.9
205.12299	2.4
213.09091	0.8
219.13942	1.4
225.00801	1.0
231.10207	4.8
235.06215	1.2
235.13435	0.7
237.07753	1.3
241.15889	0.8
263.12869	2.3
263.20407	1.0
279.08765	4.6
281.06830	1.4
289.01779	0.8
293.21219	5.6
303.19656	2.3
319.19165	15.3
320.19476	1.1
321.20789	2.2
337.20279	2.6
359.05826	1.3
430.12262	1.0
465.25009	1.7
483.26050	12.7
484.26550	1.5
491.09686	6.4
495.16782	3.4
509.17630	1.3
509.24554	6.4
527.08154	2.2
527.18787	5.1
527.25110	100.0
528.25336	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	527.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00858	1.5
55.01891	1.6
57.03443	2.4
59.01387	100.0
63.35334	1.4
71.01041	2.1
71.01396	26.7
72.99297	4.4
73.02969	1.5
75.00883	24.0
84.02171	1.3
85.02961	30.7
87.00899	8.0
89.02451	6.5
95.01402	6.3
96.96009	2.2
99.00898	16.7
99.14126	1.8
103.00376	4.9
108.01328	1.4
113.02464	45.5
115.03989	1.7
117.01975	4.0
121.02989	2.0
135.04581	2.0
137.32080	1.5
155.81552	1.4
157.12389	1.6
161.86832	1.6
175.02467	4.0
205.07228	3.2
223.08260	2.1
249.06192	9.8
265.14832	1.9
267.07169	10.5
277.21777	61.9
278.22302	2.9
336.45831	1.3
527.28693	98.9
528.29010	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	527.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37087	38.7
59.42907	39.0
62.06703	42.5
70.06396	43.8
70.06712	100.0
78.38699	52.5
243.01320	43.3
509.26236	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30682	18.6
61.98863	17.8
71.43616	18.6
85.71774	20.1
96.96032	20.8
97.36959	21.4
142.49310	16.6
149.15331	21.3
439.32205	50.7
469.33078	24.6
484.92752	23.6
497.27631	20.5
527.29059	100.0
530.55688	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	527.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03474	0.7
59.01386	100.0
60.01716	0.7
61.98840	5.6
71.01388	10.6
73.02947	3.1
83.01404	1.7
85.02967	7.1
87.04534	1.7
89.02461	1.6
95.01418	1.7
96.63913	0.5
99.00862	1.3
101.02475	4.1
105.67680	0.5
113.02467	7.5
119.05065	2.0
135.04547	1.1
146.68964	0.6
159.03046	0.8
161.04620	4.9
201.09264	0.9
225.11351	0.6
245.08183	1.1
268.94183	0.5
287.50623	0.6
323.25958	0.8
331.84146	0.5
467.30136	8.0
485.31210	5.6
527.19415	0.6
527.29419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77635	0.4
57.03459	0.5
58.33697	0.4
59.01388	100.0
60.01732	0.6
61.98828	2.4
66.14520	0.5
68.99857	0.5
69.45902	1.6
71.01393	12.4
73.02962	6.7
75.09053	0.5
83.01405	1.8
83.97226	0.5
85.02965	3.7
89.02463	7.9
95.01421	2.1
97.02995	0.7
99.00922	0.8
101.02448	7.0
109.06586	0.6
113.02461	11.3
117.03529	0.9
119.03514	3.1
119.05077	1.9
122.02496	0.6
123.08167	0.6
134.03723	2.7
135.04533	5.1
143.03560	1.2
161.04605	1.8
164.98369	0.8
165.12880	0.7
172.05275	0.7
173.06189	0.5
179.05629	1.2
182.02260	0.7
183.37038	0.5
187.07697	3.0
201.05711	1.4
202.06421	1.4
203.10818	1.0
209.11996	1.1
215.07137	0.7
229.08676	0.6
231.10297	3.0
238.72644	0.5
249.08446	0.5
253.09355	0.7
291.19711	3.7
295.08322	1.1
331.73938	0.5
359.49265	0.6
430.12845	1.2
467.30362	2.3
485.31467	3.3
527.19452	2.6
551.34741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	6.9
65.99855	4.8
80.10695	2.0
81.03451	3.1
83.01401	2.7
88.98811	2.5
92.82898	1.8
95.01420	2.0
96.00953	2.3
97.68333	2.3
101.03971	4.9
117.03470	2.2
118.02972	3.0
120.00900	3.1
123.94842	2.0
134.02470	2.4
136.00397	5.3
146.02484	8.7
147.04564	6.1
159.62234	2.1
163.00316	2.5
163.99866	7.5
164.03622	2.3
166.38834	2.0
171.04466	7.6
175.99930	4.0
182.06061	2.5
184.07611	3.5
187.07755	5.0
189.00723	3.0
190.01476	11.0
208.07715	4.6
210.05583	3.2
212.48065	2.0
220.07709	2.1
229.23457	2.3
232.07751	2.5
236.07207	4.4
238.05139	7.8
240.06757	3.5
241.05035	6.5
242.08176	11.6
248.07169	5.9
252.06673	8.7
255.06625	3.1
266.08267	5.6
267.06659	2.5
268.06128	12.8
269.04596	10.9
270.07703	14.4
276.06677	8.9
278.64111	2.1
280.06265	10.0
290.08118	3.3
294.07748	33.0
295.08102	2.5
296.05679	11.0
304.06131	9.5
312.08850	3.4
320.05701	2.6
334.07199	4.0
336.08676	2.7
362.06631	8.0
364.61090	2.2
366.06076	6.4
366.11044	2.6
370.22528	2.5
378.10773	2.7
380.12814	8.6
399.36710	2.5
408.12418	46.0
409.12805	3.6
422.08823	3.6
424.11633	3.4
434.10364	2.6
452.11334	33.1
466.13025	18.6
484.14038	100.0
485.14526	10.2
496.10123	3.5
524.91858	2.1
528.13678	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	528.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01123	1.3
64.01918	1.8
65.00326	3.6
65.99542	1.0
65.99857	3.6
68.99815	1.6
69.07552	2.9
69.07975	4.7
81.03446	1.7
83.01401	1.5
88.98799	1.6
96.00918	4.4
107.00195	2.8
108.00918	2.0
115.05524	1.8
119.00100	2.0
120.00897	4.3
121.01781	1.3
123.03275	1.8
124.00436	1.5
124.04066	1.3
125.02434	1.4
126.13312	1.1
128.29781	1.0
131.05042	3.4
133.06577	1.2
134.02472	2.2
134.99683	1.9
135.03247	3.4
136.00418	27.7
136.04019	1.3
137.01143	1.4
138.02011	1.2
140.03487	1.5
143.05034	1.4
145.06564	2.3
146.02423	1.0
147.03532	1.3
147.04510	6.9
149.01248	1.2
151.02740	1.4
157.06599	1.6
160.04071	1.5
161.06050	4.9
163.02750	3.2
163.99911	22.6
164.03528	2.5
165.00664	6.9
169.06557	1.7
171.04527	4.4
172.05310	2.2
175.02769	1.9
175.99925	2.5
176.03568	5.8
180.08177	4.3
182.59962	1.2
187.07637	13.0
188.03560	1.8
189.04167	1.2
189.05655	1.8
190.01419	2.8
190.98605	15.9
191.02213	2.7
192.03014	2.4
198.05571	2.6
203.02347	1.6
204.02919	2.0
205.05159	2.0
206.00946	1.9
212.07242	1.9
213.05656	1.3
218.00940	3.3
224.07204	3.7
225.05615	1.8
226.05048	2.8
226.08749	1.3
226.34488	1.1
228.06755	1.3
232.02554	3.3
236.07205	1.2
239.03487	1.1
240.06628	12.7
242.08244	18.5
252.06741	2.9
255.06543	2.8
257.92859	1.2
267.02838	1.2
267.05295	2.8
268.06168	100.0
269.04370	0.9
269.06790	7.1
270.07715	45.9
278.04465	1.3
280.06140	4.7
293.06970	1.9
294.04443	2.1
294.07751	7.6
295.04895	17.5
296.05627	21.3
296.09286	13.0
306.04187	3.4
306.07742	1.1
307.73151	1.1
308.09357	7.2
312.08698	2.0
322.07224	4.5
323.07571	1.2
324.08664	2.6
336.08792	14.5
350.10315	2.4
352.08209	2.2
366.05899	1.2
378.09650	1.1
380.07803	45.3
381.08032	2.0
384.12491	1.4
394.09323	34.4
400.14447	3.4
410.10254	4.0
412.15710	2.8
422.08820	7.6
422.14035	2.6
438.13660	1.5
452.11322	1.6
456.14594	9.8
466.13095	9.1
468.10818	4.5
484.14240	1.7
496.10492	2.0
500.13507	13.7
510.11902	2.1
528.13153	7.2
545.59570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48819	0.8
58.00596	0.8
58.33142	0.7
59.01384	32.6
61.98833	1.1
65.00320	3.1
68.99818	0.9
69.06821	1.7
69.07218	4.8
71.01031	0.9
71.01391	14.3
72.99313	1.6
73.02949	5.3
81.03452	2.8
85.02944	3.5
88.98866	1.1
89.02455	12.1
89.38657	0.6
92.60140	0.7
96.33453	0.7
98.22678	1.9
101.02457	2.1
103.04017	1.3
113.02412	0.8
116.05099	1.2
118.03003	4.7
119.05102	0.9
132.04700	1.0
135.04530	0.9
136.98822	1.8
138.93864	0.8
140.05043	1.1
144.04494	1.1
145.02957	1.1
145.06538	1.4
151.00365	0.9
158.06096	1.2
159.04416	1.1
160.04021	1.1
161.01199	1.2
162.05635	1.1
163.00316	1.2
164.98318	1.0
171.04553	4.5
173.04825	1.4
173.06146	1.5
177.01862	1.1
184.04079	1.1
186.05588	1.7
187.07654	4.7
200.03523	1.6
201.01976	1.2
202.01468	3.2
202.05110	1.7
203.03494	1.7
228.02992	8.6
229.03764	3.1
230.04523	2.9
241.05087	2.7
242.08411	1.0
255.06720	4.6
264.06622	2.1
267.06644	1.1
268.06296	1.8
269.04578	8.7
270.07697	2.4
279.06580	1.4
280.06302	1.0
282.07794	1.6
290.08185	1.9
292.09906	1.2
296.05670	2.9
304.06433	1.6
305.08057	4.0
306.04437	1.5
306.07791	17.7
306.11243	1.5
307.09906	5.7
310.10721	1.2
316.09921	1.9
331.93576	1.1
332.09314	53.6
333.09930	6.3
334.10864	100.0
335.11212	5.3
336.12503	1.0
348.12402	3.5
350.10385	2.6
352.08163	1.3
362.14154	1.0
366.13495	46.3
367.13687	2.8
376.11743	0.9
378.09677	1.6
380.15079	8.1
394.09079	3.6
406.07700	1.6
406.12994	27.5
407.13318	2.3
422.08365	1.1
436.13989	1.5
438.15680	18.0
496.16409	5.5
528.11621	0.9
528.19061	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	528.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.1
61.10201	1.3
61.98831	1.6
71.01384	2.2
77.88158	1.6
86.62058	1.2
92.92825	1.2
95.05032	4.9
107.03851	1.4
110.02470	2.4
110.06131	8.1
112.04057	5.0
115.26347	1.4
118.06660	6.2
122.06130	28.3
122.06953	2.3
123.03294	10.0
124.04066	10.0
128.03540	3.6
130.08784	1.6
138.05624	45.6
144.04578	16.0
146.06136	100.0
147.06418	1.7
162.05595	5.3
164.03603	1.5
172.04065	8.0
173.04823	4.4
174.05641	3.7
182.04555	2.7
183.05412	2.1
184.06174	6.6
188.03552	4.6
203.05902	24.2
204.06689	18.8
205.07457	81.6
206.08157	5.8
208.06177	4.1
219.05299	3.2
236.05650	4.3
236.30525	1.4
237.06400	24.8
253.09697	2.3
267.11411	2.3
268.12204	3.5
279.07712	2.1
283.10977	4.2
293.09369	3.7
294.10077	5.0
295.10858	11.2
313.11932	18.0
315.13510	25.6
325.11932	8.8
327.13528	96.8
328.13797	4.4
343.12939	16.8
345.14575	34.8
346.14471	1.8
372.12119	1.9
390.17926	2.3
404.08704	5.1
408.19272	2.1
424.15039	2.2
434.17310	7.4
438.16629	1.6
452.18274	14.8
453.17261	2.4
456.17688	1.7
466.19760	4.3
478.16257	4.7
484.20773	4.2
496.17130	28.7
497.17484	2.4
510.18872	6.4
528.19904	26.6
528.29138	2.4
528.30597	3.2
529.20648	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	528.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
61.98822	6.0
67.79652	1.8
69.57271	7.9
71.01389	1.8
75.00888	13.0
95.05044	4.7
96.96007	2.7
98.21896	1.9
107.03778	2.6
110.06122	7.9
112.04029	1.9
118.06633	9.2
122.06128	30.6
122.20766	1.9
123.03277	13.6
124.04053	5.4
138.05621	46.3
143.49635	2.0
144.04552	17.3
146.06134	99.1
162.05653	2.4
172.04028	7.0
173.04825	7.9
174.05598	2.5
182.04594	3.4
183.05338	2.3
184.06172	4.2
186.12479	3.1
188.03506	1.8
203.05904	18.7
204.06639	18.4
205.07457	84.8
206.08107	5.9
208.06171	3.4
219.05496	3.4
228.13589	2.0
236.05684	4.5
237.06487	21.6
239.15216	2.7
253.09897	2.1
267.11432	3.4
268.12186	3.5
279.07654	5.4
283.10727	3.8
293.09213	5.7
294.10211	9.3
295.10864	14.1
313.12018	25.7
315.13535	30.2
325.11975	7.7
327.13531	100.0
328.13675	3.9
343.13004	15.2
345.14600	30.9
398.24033	4.9
405.57526	2.2
434.17380	10.8
452.18234	15.8
453.17203	2.0
456.17776	2.8
464.73660	2.0
478.16055	5.4
484.21011	3.3
496.17310	21.5
510.19012	11.4
528.19666	23.7
528.26611	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	528.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00658	1.2
54.92119	1.3
59.01374	3.4
61.98805	1.6
69.80331	4.5
71.22281	1.2
72.61420	1.2
80.78157	1.1
91.42617	1.2
94.06648	1.4
95.05047	6.2
96.96046	2.7
107.03777	2.7
110.02520	1.3
110.06153	9.0
112.04046	3.0
118.06649	7.1
122.06141	26.9
123.03284	11.1
124.04047	7.0
138.05629	42.3
144.04570	15.7
146.06136	95.6
147.06395	1.6
156.06618	1.6
162.05605	3.9
167.42690	1.1
172.04074	7.8
173.04787	7.1
174.05544	3.5
182.04611	2.3
183.05287	2.0
184.06133	3.7
188.03461	2.6
192.06607	1.7
203.05881	21.9
204.06660	23.2
205.07454	82.2
206.08118	5.1
208.06186	4.8
215.38432	1.5
219.05406	2.3
226.15845	1.3
236.05661	3.9
237.06419	21.9
253.09798	2.9
265.09842	1.7
267.11536	2.4
268.12131	2.4
279.07831	2.5
283.11011	3.0
293.09250	3.1
294.10141	5.3
295.10849	14.3
297.12402	4.6
313.12006	16.1
313.33234	1.8
315.13550	29.2
315.17136	2.2
316.14044	1.7
325.11975	8.6
326.12772	1.4
327.13531	100.0
328.13812	5.1
343.13034	17.1
345.14578	38.1
351.81732	1.3
395.34567	1.4
407.15820	1.7
408.19162	2.4
434.17175	9.4
438.16748	1.6
452.18213	21.4
453.17319	2.7
466.19775	3.9
478.16284	5.9
484.20740	3.9
496.17279	32.0
497.17566	1.7
510.18716	8.8
528.19751	30.8
529.19885	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	528.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.4
61.98834	100.0
78.95885	1.1
98.22612	2.8
122.02483	9.6
135.04518	1.6
144.24864	1.2
289.14032	1.2
323.93091	1.2
350.12833	1.1
468.20239	1.5
474.01007	1.3
491.46747	1.4
549.36029	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98845	1.1
64.91712	0.6
79.62516	0.6
90.96533	0.8
92.49310	0.6
115.72514	0.6
119.05082	0.8
122.02499	20.0
135.04625	0.8
136.04044	9.9
150.05646	3.7
178.05124	1.3
188.22835	0.6
194.26889	0.6
202.20811	0.6
224.32446	0.7
447.13498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01389	1.7
61.98827	0.9
63.72416	0.3
69.13960	1.0
69.14381	0.7
71.01386	0.7
78.03490	1.6
83.05027	0.4
85.02954	3.4
88.24468	0.2
90.77968	0.3
93.03439	0.3
97.02953	0.3
100.91192	0.3
107.05036	0.4
108.04543	0.6
109.06593	1.2
113.02446	0.8
119.05046	0.7
122.02491	100.0
123.02810	1.8
126.03219	0.4
135.04543	0.9
135.08122	0.5
136.04051	10.1
150.05600	4.2
178.05086	0.5
217.16003	2.2
229.15947	0.5
243.13921	0.5
245.15517	0.6
255.17574	0.6
259.16882	0.7
261.14990	1.1
273.18552	1.6
283.16953	0.4
289.14484	18.5
290.14819	1.0
295.41632	0.3
301.18222	1.0
345.17123	2.0
460.42444	0.3
468.20267	21.9
469.20648	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	528.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01390	6.4
61.98837	13.3
65.32685	0.8
66.86938	0.9
71.01396	1.2
71.43055	1.3
78.03498	2.1
78.95894	1.0
83.05083	1.2
85.02960	10.4
90.11655	0.8
92.49911	0.8
97.41177	0.9
105.07086	0.8
109.06565	2.0
113.02470	5.8
119.05024	3.5
120.04527	2.0
122.02499	100.0
123.02828	1.1
125.02484	1.1
135.04529	7.7
136.04036	7.7
136.04921	1.2
150.05623	3.8
155.03549	1.8
174.05640	1.3
187.07703	2.7
187.70358	0.8
188.07973	2.8
201.05644	1.0
203.06644	1.0
207.03096	1.0
217.15956	2.6
231.10239	1.8
232.10564	1.4
243.13777	1.2
245.15488	1.5
255.17569	5.9
264.87418	1.0
273.18564	3.2
289.14505	24.4
299.16458	1.5
300.02841	2.0
345.13205	1.3
345.17075	15.3
396.21924	1.9
404.47327	0.9
468.20328	20.5
469.20471	1.4
528.20508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01083	4.3
59.01385	90.0
61.98814	10.3
71.01392	8.8
72.97535	7.5
73.02948	5.0
73.98317	24.7
74.00700	4.1
83.01424	2.6
85.02968	4.5
86.02476	23.3
87.02743	4.1
87.04526	4.4
89.00679	94.7
89.02454	3.8
96.96078	3.4
99.00902	2.0
101.01820	2.1
101.02454	6.4
104.15646	1.9
104.74301	2.0
112.07619	1.7
113.02463	2.6
114.03836	2.4
115.02247	100.0
117.03498	2.5
119.05010	4.1
120.01289	18.1
124.07685	2.5
135.04552	4.5
137.02528	2.3
138.05624	11.1
145.09267	2.1
146.06155	4.5
149.04289	2.6
151.00398	2.0
151.02252	7.7
161.04652	3.1
176.03922	15.1
177.03783	4.2
191.27002	2.0
202.05606	3.6
204.06715	2.4
205.07306	2.5
285.03976	3.4
291.15970	11.0
311.16611	2.9
313.11954	3.7
317.15704	4.1
323.22446	9.4
327.13605	4.2
343.12949	3.7
345.15228	59.9
346.15662	3.7
359.78555	2.5
363.16391	48.0
364.16727	2.7
381.17407	50.1
382.17847	3.2
388.19489	5.4
432.18552	6.7
434.17410	3.4
441.19641	5.9
450.19547	12.6
468.20367	12.0
507.15631	2.6
528.23010	35.9
529.26453	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	529.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.98834	0.9
64.24812	0.4
66.33782	0.4
68.24875	0.4
70.18784	0.9
71.01380	0.9
72.99312	0.4
84.93881	2.0
87.00822	0.6
96.96007	2.9
96.96948	0.7
98.21918	0.5
98.95576	1.3
99.00880	0.6
99.92594	25.0
100.92673	0.9
100.93369	15.5
103.00404	1.1
115.92089	18.8
116.92871	100.0
117.92873	3.3
119.05006	0.6
121.02884	0.4
126.94947	0.9
128.92899	0.9
140.92877	1.2
141.93625	3.6
142.94467	2.8
143.95248	0.9
151.00400	1.2
154.94455	1.9
155.95282	0.5
156.92342	1.1
158.93958	1.1
166.02681	2.4
167.95245	1.2
169.93111	0.6
170.06253	0.4
170.93987	1.1
171.94731	1.9
173.92586	0.5
174.93398	0.9
177.38670	0.4
181.05086	2.3
183.94797	0.8
184.91875	1.7
184.95496	1.0
185.92645	1.2
186.93405	0.9
195.94704	1.0
196.95560	0.9
198.93414	0.6
211.94234	0.5
212.94980	2.3
224.95030	1.3
225.95749	0.6
242.96063	5.1
243.96877	3.5
260.97028	1.1
261.97885	5.2
284.97040	1.3
286.07153	0.9
302.98193	1.7
303.98981	1.6
325.03564	0.6
328.96005	0.5
329.96835	1.2
346.97235	2.1
347.97867	2.4
382.09665	0.4
395.14063	0.4
425.01782	0.6
443.03003	1.3
467.02969	0.5
485.03766	2.1
493.00366	0.9
529.02960	6.2
529.26184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.2
60.99314	4.4
65.00327	1.4
65.67178	0.8
69.22858	2.0
69.23269	2.5
76.32974	0.7
79.95746	3.4
81.03460	5.9
82.75817	0.9
88.98811	19.9
96.96017	100.0
98.22652	1.3
114.93425	1.8
136.98814	1.6
145.06601	0.9
148.01695	2.4
164.98325	2.1
171.04587	2.1
176.01141	5.1
187.07664	5.5
204.00591	2.3
213.05443	1.2
217.01352	3.9
225.05727	1.1
239.03595	1.3
241.05194	2.6
247.07686	0.8
255.06636	3.4
263.07016	1.2
267.03033	1.8
269.04538	10.4
281.08148	1.4
289.14819	0.7
291.06665	2.4
295.89447	0.7
296.22293	0.8
301.01691	4.3
308.06995	3.6
309.07697	3.9
311.02386	1.3
353.03415	1.4
365.03680	1.2
378.09897	0.8
379.10281	1.7
395.12936	1.8
439.11853	13.8
457.12943	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	529.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
61.98836	100.0
70.10195	1.0
71.01405	1.5
72.16364	0.5
73.02958	0.5
82.03312	0.4
85.02966	1.5
89.02442	0.7
91.01896	0.5
95.01455	0.6
101.02477	1.4
108.02224	0.9
113.02460	1.1
123.04516	2.4
128.07263	0.5
129.13460	0.4
138.17514	0.4
151.00427	0.8
152.01164	0.9
161.04575	0.6
166.02817	0.7
167.03511	10.4
181.05147	0.9
194.02252	0.6
209.04539	6.7
214.91341	0.4
225.49428	0.5
239.05719	1.0
269.06635	2.2
311.08008	0.5
325.11331	0.7
329.08905	1.8
371.09738	2.9
493.15714	7.7
494.15582	0.6
554.53583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23617	1.6
59.01365	1.7
60.99023	1.9
60.99310	18.5
69.30518	3.3
69.30929	5.9
78.95891	2.4
88.98810	100.0
91.36646	1.4
108.02164	2.5
116.37978	1.7
124.01662	2.7
125.02391	1.8
132.02203	1.9
133.02946	2.3
135.00833	2.4
137.02446	5.7
148.01660	10.4
150.05658	2.7
159.00861	2.7
161.02440	4.9
163.00327	2.0
169.06575	3.0
171.00632	2.4
176.01163	24.3
177.01854	4.6
178.05093	2.1
179.03493	2.0
189.01990	2.2
192.00656	7.6
202.99832	4.9
204.00667	8.0
204.02316	1.6
214.02621	2.2
217.01459	16.3
218.01968	2.4
221.05960	2.3
223.07584	2.8
225.05602	2.0
235.07603	2.1
239.07127	3.8
247.07657	2.5
263.07065	6.0
267.06674	8.3
280.07315	3.2
281.08121	5.4
291.06546	16.0
307.06223	17.5
307.09500	3.6
308.06821	16.2
309.07663	22.2
333.09653	3.8
335.05676	5.1
350.10248	1.8
351.09357	5.1
366.07559	3.3
367.08203	4.1
395.12897	7.2
413.14090	2.2
439.11850	60.8
440.12018	4.3
457.12985	40.5
458.12781	1.8
485.11914	2.0
497.08505	1.7
529.10925	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	529.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70632	0.9
56.04245	1.0
59.01375	3.5
59.84558	1.1
60.84487	1.2
60.99310	16.7
65.83864	1.0
68.99831	1.1
71.01389	5.9
71.53683	1.0
72.70464	1.1
73.02931	1.7
79.95741	2.5
80.96485	1.5
81.95331	1.4
82.96088	1.8
84.94668	1.1
85.02972	2.0
87.00881	1.1
88.98811	100.0
91.01926	2.2
95.01431	1.6
96.96024	29.5
97.95937	1.4
98.22722	1.8
98.95602	24.1
98.96433	4.2
103.21090	1.2
104.02716	2.3
108.02174	2.6
112.81696	1.2
113.02457	4.0
115.00396	4.0
123.04555	5.2
124.01712	2.7
132.02132	1.5
133.02954	2.8
136.65106	1.2
137.02449	1.7
138.97130	2.9
140.96632	1.9
148.01654	11.6
153.92047	1.0
161.02505	1.5
163.00401	1.3
164.01189	2.4
167.03513	24.8
169.06628	2.9
172.19800	1.1
175.02481	5.3
175.03868	1.8
175.07310	1.0
175.99583	1.3
176.01154	26.1
176.02571	1.3
177.01723	1.7
188.01221	1.7
189.01985	1.2
190.67178	1.0
192.00658	7.6
195.08162	1.2
203.00027	1.4
204.00655	9.9
207.00056	1.3
212.98782	1.7
213.05611	1.2
217.01416	17.6
218.02086	1.7
219.08264	1.9
223.07655	1.4
225.05539	1.7
235.07787	1.4
239.07123	2.1
247.07687	1.8
254.98135	10.2
255.98445	4.8
256.97797	19.8
263.07266	2.9
264.07813	1.5
265.08740	1.9
267.06583	1.6
271.06076	2.8
280.07434	2.9
281.08191	4.6
291.06653	10.4
292.07275	2.3
307.06061	1.8
307.09616	2.1
308.06955	21.2
309.07742	16.8
346.70520	1.1
351.08902	2.8
395.12860	8.9
439.11899	66.3
440.12036	4.6
457.12915	20.3
458.13086	1.9
529.05121	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	529.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07156	1.8
56.25240	1.9
59.01384	5.3
60.99308	18.6
69.52195	9.1
69.86327	1.7
71.01373	9.9
81.03446	2.3
81.95348	1.9
82.95428	6.6
82.96113	2.1
85.03000	2.8
87.00929	3.4
88.98811	100.0
95.01411	1.9
96.25282	2.4
96.96015	24.4
98.22612	4.1
98.95602	31.4
98.96410	3.7
106.48422	1.8
111.00864	2.9
113.02438	4.0
115.00404	2.9
120.43507	1.7
124.01622	3.0
137.02342	2.5
139.00436	2.8
148.01660	17.1
148.83998	1.8
162.93027	1.7
164.01137	4.4
171.04475	1.9
175.02469	5.8
176.01184	22.6
176.02663	3.7
192.00658	9.7
202.99919	2.0
203.03374	2.1
204.00627	7.5
212.98730	5.1
213.05615	2.6
217.01405	19.9
218.02345	2.2
223.07712	2.8
225.05627	3.2
241.05115	2.4
244.97978	1.8
254.98088	8.8
255.98564	3.3
256.97760	17.4
263.07043	4.9
267.06433	3.0
269.04608	14.3
272.06339	2.5
280.07266	3.1
281.08087	4.3
291.06662	14.0
307.06140	3.8
308.06900	17.7
309.07611	13.7
351.08841	4.4
395.12726	7.0
439.11850	66.0
440.12109	6.1
445.07822	3.3
457.12851	19.5
529.04614	3.1
529.11896	2.3
529.22571	3.9
537.66760	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63306	0.9
52.42272	0.9
56.61757	1.1
57.37471	0.8
59.01376	2.9
65.00330	11.1
68.99824	1.5
78.88283	1.1
81.03461	47.3
83.01369	1.1
88.98812	3.1
92.99833	1.8
96.99332	2.4
110.00051	1.0
136.16837	1.0
136.98834	12.2
145.06635	5.7
163.00349	2.0
164.98293	14.7
169.06595	1.9
171.04547	10.1
173.06111	1.1
176.01230	1.1
187.07657	77.0
188.08009	2.8
199.03961	2.1
213.05592	2.2
217.01405	1.0
229.18115	1.0
241.05083	28.8
242.05577	1.2
259.06119	4.0
267.06659	1.1
268.03882	1.7
269.04562	100.0
270.05011	5.1
283.06076	2.8
397.58456	1.1
400.04303	0.9
404.39401	1.2
421.30972	1.1
434.85147	1.2
439.12064	1.6
457.12640	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51667	1.3
62.77771	1.0
65.00331	14.1
70.13802	2.9
70.57189	1.1
81.03461	61.1
92.99826	2.1
96.99330	2.6
112.33328	1.1
117.48152	1.0
120.99330	1.6
123.28215	1.0
126.51791	1.1
136.98822	14.7
145.06618	7.3
164.98314	16.3
169.06558	2.8
171.04517	9.2
187.07663	73.4
188.08000	3.8
197.06161	1.5
199.04112	1.6
213.05548	1.9
241.05086	36.4
242.05461	1.5
259.06100	3.7
269.04562	100.0
270.04959	4.6
457.13046	1.5
543.46179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
60.99310	17.9
62.86272	1.1
64.73565	1.2
65.00326	3.5
66.57114	1.1
69.46261	4.9
81.03476	6.7
81.56534	1.2
84.45647	1.1
88.98813	100.0
91.89156	1.1
94.13260	1.1
96.96006	4.9
104.02639	1.7
108.02166	2.7
109.02930	1.7
115.38840	1.1
117.03441	1.4
124.01705	1.3
127.00290	1.1
132.02148	2.1
133.02989	2.2
135.04521	1.2
136.98830	2.1
137.02510	1.2
145.02994	1.3
145.06578	1.3
147.04527	1.4
148.01653	11.7
161.02481	1.7
164.01228	2.8
164.98346	1.8
169.06633	2.1
171.04514	2.7
175.04057	2.0
176.01151	24.5
177.01860	3.7
179.03629	1.2
187.07643	8.9
188.01195	1.4
189.01894	2.6
192.00656	6.7
203.03552	1.4
203.35165	1.1
204.00655	9.8
213.01918	1.4
213.05525	3.2
217.01433	18.8
218.02101	1.1
221.06012	1.3
223.07596	1.9
225.05650	2.4
235.07762	1.4
239.07164	2.0
241.05112	7.8
247.07666	2.0
263.07050	3.2
265.08542	2.3
267.06677	2.9
269.04590	17.0
280.07312	2.5
281.08212	4.1
291.06644	13.9
301.01828	4.7
304.07404	1.7
307.06192	3.6
307.09698	2.4
308.06873	22.3
309.07663	18.5
351.08786	3.7
378.10049	1.5
379.10217	1.6
395.12903	10.6
439.11877	76.3
440.12399	6.7
457.12979	20.8
458.13550	1.6
529.09583	1.4
547.30157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34756	1.0
65.00321	12.1
69.48283	5.4
81.03462	46.5
88.98832	1.6
92.99805	1.6
95.79094	1.2
96.99332	1.9
110.00074	1.3
131.38152	1.1
136.98811	9.5
145.06589	4.9
164.98299	15.2
165.99028	1.1
169.06618	2.9
171.04530	5.3
187.07664	80.5
188.07999	2.7
199.03944	1.3
213.05592	1.5
241.05095	27.4
259.06125	3.5
269.04575	100.0
270.04916	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
60.05873	1.1
60.99311	16.7
65.00324	1.2
71.01394	1.7
71.10732	1.0
71.41097	1.1
72.15240	0.9
73.02921	1.0
81.03496	1.4
88.98811	100.0
101.02444	1.6
101.52762	1.2
108.02186	2.6
109.02937	1.3
111.00879	1.3
119.08664	1.6
124.01696	2.2
125.02460	1.6
132.02168	1.9
133.02963	2.1
135.00899	1.9
137.02470	2.5
148.01675	9.7
159.04570	1.2
160.01643	1.5
161.02412	2.6
163.07602	7.2
164.01083	1.7
167.03505	1.2
169.06555	2.7
174.03279	1.4
175.03972	1.3
176.01155	22.2
177.01860	2.3
188.01122	2.6
189.01913	2.4
192.00699	7.6
203.03676	1.1
204.00652	7.7
205.01469	1.9
205.12347	3.8
213.05484	1.3
217.01414	18.1
218.02077	3.0
219.08218	1.4
223.07666	2.3
225.05637	2.9
227.25925	1.3
239.07153	3.0
263.07108	3.4
264.95596	1.1
265.08493	1.5
267.06625	3.1
269.04486	2.3
280.07483	2.8
281.08240	6.2
291.06665	10.6
307.06137	3.9
307.09381	1.8
308.06937	15.5
309.07706	19.3
347.87369	1.2
351.08792	4.7
395.12842	6.8
439.11862	59.8
440.12238	4.2
457.12943	40.3
458.13260	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	529.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01317	3.0
65.00323	11.2
65.99856	4.3
67.01906	27.1
68.99809	26.4
76.09702	3.6
79.01891	9.6
81.03454	5.8
83.01382	12.1
87.40527	3.4
88.98822	5.4
95.01362	4.8
97.02959	70.0
99.00893	10.3
101.04012	4.0
111.00886	11.5
133.06624	5.0
139.04019	22.3
145.02914	7.1
145.06575	4.7
151.00343	11.6
161.56407	2.7
169.06590	8.2
171.04518	59.7
173.02441	6.1
173.06131	7.6
178.99864	13.2
187.07704	9.2
190.94107	3.1
190.99915	3.2
197.06058	4.2
200.24591	3.3
203.07172	31.9
211.07541	4.9
213.05614	22.1
215.07127	10.9
229.05054	7.5
239.07088	8.0
241.05099	6.6
243.06638	8.2
245.08223	72.9
248.92009	3.7
251.07126	4.0
253.05128	5.9
255.06644	12.5
255.30449	3.4
267.06866	3.6
268.06113	10.6
269.04465	12.1
271.06097	44.5
279.06543	3.8
281.08197	18.7
283.06168	30.5
284.06631	4.0
297.07547	6.7
307.05960	5.3
321.07770	11.2
323.05594	14.9
325.07196	42.8
349.07071	12.0
351.09860	3.2
367.13672	10.9
378.00131	2.9
400.79446	3.3
444.84079	3.4
453.13422	29.5
457.14279	3.4
497.05603	6.7
497.12488	100.0
498.12759	8.3
529.15094	67.3
530.15192	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	529.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61153	0.4
59.01386	8.2
59.24694	0.5
61.98829	1.5
62.11097	0.4
64.75018	0.5
71.01389	1.2
73.02952	1.1
79.95737	6.4
83.01395	0.6
85.02956	0.7
87.00888	0.6
89.00695	0.7
89.02431	0.5
91.00263	0.7
95.95250	1.2
96.96021	100.0
101.02434	1.4
112.12093	0.4
113.02477	0.6
119.05066	0.9
119.36951	0.4
122.02472	0.4
132.52502	0.5
217.79825	0.4
221.08688	0.5
255.06639	0.8
263.13312	0.8
276.08899	0.4
281.14447	3.1
285.04083	0.5
307.19305	0.6
309.14133	0.5
309.26285	0.5
311.02328	0.7
323.15326	1.6
329.23511	0.5
353.03250	0.8
365.03290	0.6
399.96579	0.5
409.02408	0.6
425.18533	3.0
443.19595	25.3
444.19730	1.3
485.20663	69.9
486.20911	3.8
511.18649	3.8
529.19635	8.2
529.26868	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	529.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21843	3.3
66.20995	3.0
71.86144	4.1
78.95921	27.0
88.11350	3.3
89.37321	3.2
96.96023	100.0
128.69589	3.5
152.99597	24.6
194.90059	3.6
315.46646	3.7
330.82489	3.9
432.80896	3.5
471.34814	7.5
498.82468	4.1
529.30664	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	529.2658
Annotation	Pharboside E
Peak:m/z	Relative Intensity
55.01889	1.3
57.03447	2.4
58.00604	1.5
59.01386	100.0
71.01389	50.3
72.99336	1.8
73.02961	6.7
74.52045	0.5
83.01405	2.3
83.05035	1.1
85.02968	11.1
85.06606	0.8
87.00907	2.9
89.02456	60.8
95.01402	3.3
96.96031	1.1
99.00901	0.7
101.02452	33.7
111.08156	0.6
113.02464	22.0
119.03517	33.6
121.77998	0.6
125.02454	1.2
131.03511	3.4
135.20271	0.6
137.02466	0.6
143.03529	4.7
149.04579	2.1
151.05746	0.7
160.09906	1.3
161.04570	7.9
179.05615	13.4
179.07167	0.7
189.12880	0.8
275.20245	2.1
278.47855	0.7
285.04196	1.3
303.19623	5.0
305.21344	1.1
307.19241	1.0
323.22308	18.2
324.22479	0.7
349.20233	4.5
367.21500	2.6
476.75162	0.8
485.27658	2.1
529.26813	36.0
530.27240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74417	1.0
55.21651	0.8
59.01387	14.5
61.98831	5.5
66.22080	0.9
71.01387	6.7
71.43230	1.3
73.02979	1.3
83.01412	1.2
85.02954	1.0
87.00927	1.4
89.02436	6.8
101.02452	7.1
113.02424	4.4
119.03539	2.5
119.05076	2.1
135.04524	4.9
143.03484	1.2
161.04581	4.2
166.52591	0.9
166.86528	1.0
179.05614	1.0
195.13928	9.4
196.14629	1.5
199.57819	0.8
203.10541	0.9
204.32549	1.0
205.12370	1.1
219.49153	1.0
223.13409	5.5
228.16612	1.0
253.09294	33.2
275.20239	6.7
278.48401	1.1
293.21255	100.0
294.21530	3.3
300.02765	1.9
322.89847	1.0
430.03967	0.9
438.65192	1.0
492.82339	0.9
529.20593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
67.76693	0.9
80.91721	1.1
87.04556	0.9
93.60310	0.9
111.79295	0.9
238.75311	1.0
245.60365	1.1
377.63138	0.9
409.31549	0.9
471.34830	62.1
472.35342	6.2
476.98123	1.1
524.59833	0.9
529.30664	100.0
530.31134	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	530.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
69.20673	3.4
71.01379	4.4
82.77892	4.1
88.98795	24.2
98.22638	19.2
145.02963	8.0
149.63194	3.9
159.29993	4.3
171.04532	5.2
239.03452	45.8
267.03000	100.0
268.03735	26.4
282.05371	79.1
283.06049	19.2
295.06210	7.8
306.55264	4.5
401.55603	4.5
440.12250	13.4
458.13470	6.0
487.12509	47.7
548.65051	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	530.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.7
61.98835	3.1
64.15158	0.5
69.38721	0.8
69.39103	1.2
70.03010	0.6
71.01387	7.2
71.05022	7.4
72.14707	0.4
73.02953	0.9
80.02687	0.5
85.02959	0.9
88.04050	19.0
89.02467	0.5
93.27083	0.4
96.96018	2.1
99.04542	3.4
101.02446	0.9
108.02188	34.1
113.01762	0.6
113.02460	2.8
116.07211	0.9
123.04538	16.8
125.02428	0.5
129.05614	0.7
146.08255	41.9
147.08525	0.5
152.01172	77.0
153.01532	1.7
161.04555	0.5
167.03513	100.0
168.03842	1.7
188.09297	1.1
188.86877	0.5
200.09286	2.6
218.10355	32.2
219.10672	0.6
242.10492	1.1
260.11389	2.9
329.08768	0.9
362.14514	2.9
383.09912	1.0
403.61282	0.5
467.82532	0.5
530.18964	3.3
531.17981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50135	37.3
61.98822	56.1
69.54848	57.5
69.55246	100.0
74.35368	32.5
92.77054	33.0
137.22920	46.2
143.51442	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17200	9.5
57.32581	10.4
59.01377	13.8
69.14629	24.0
69.15034	40.2
73.02966	11.5
77.23966	9.5
85.95497	11.7
97.02943	15.3
113.06099	42.5
115.04037	83.3
130.92250	10.0
138.05637	100.0
139.03986	75.8
141.05568	18.8
149.89740	9.9
153.05521	12.2
156.06673	36.9
163.07675	28.4
186.68227	10.7
219.65826	10.9
226.94691	12.1
273.14899	39.5
280.55768	11.9
336.97958	10.2
487.23444	25.7
530.24066	29.2
555.66864	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	530.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24067	30.4
61.98839	95.8
66.96983	38.1
75.38805	33.7
79.75479	45.8
134.85388	44.1
138.05664	100.0
139.04027	68.0
141.49905	37.2
149.51144	38.3
153.45459	36.7
176.42905	32.3
178.78674	33.4
195.53052	35.5
196.64287	30.4
197.55061	32.8
494.78897	41.1
530.23596	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	530.24
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64206	14.9
59.01382	39.2
69.18400	85.0
70.88654	18.1
78.95934	49.8
96.96021	70.9
112.78160	15.8
115.04057	100.0
117.05597	58.6
195.06648	59.0
196.89499	60.5
265.14670	20.5
311.16727	21.8
530.30450	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	530.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51181	9.0
55.36510	7.0
59.01344	7.3
84.76080	8.9
97.02950	10.5
98.22701	18.6
115.04027	100.0
117.05531	7.6
164.97833	7.6
195.06656	56.4
196.89459	16.1
252.67628	8.3
299.52774	9.0
305.24982	13.0
426.96390	8.8
427.21106	18.2
487.23355	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	530.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83565	0.6
63.56420	0.7
70.66646	0.6
78.95916	17.2
87.04501	0.7
104.42547	0.6
118.55329	0.7
124.78288	0.7
130.03656	0.7
141.54901	0.7
152.99600	3.2
161.29367	0.6
168.04356	2.0
196.89668	0.9
224.06976	8.1
242.08067	1.5
255.23318	100.0
255.53050	0.7
256.23721	4.5
327.26294	0.7
350.03610	0.8
383.19537	0.7
480.30991	60.7
481.31317	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	531.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63005	0.3
59.01387	3.3
65.00322	1.4
71.01382	0.4
71.40062	0.3
73.02965	0.3
80.55365	0.4
81.03457	1.3
85.02982	0.4
90.97337	0.3
94.01593	0.4
95.01409	1.0
96.99310	0.5
101.02450	0.4
109.02991	0.3
111.00891	8.9
113.02477	0.5
123.00893	1.4
125.02454	0.7
125.65221	0.3
133.02972	1.0
134.03711	0.3
135.04523	3.8
136.44084	0.3
136.56154	0.4
136.98822	2.1
137.02473	0.6
138.99303	0.7
139.00383	12.8
149.02426	0.8
151.00356	1.6
152.98688	0.3
161.02409	1.0
164.98247	1.9
165.05579	0.4
165.99043	1.1
166.99873	4.1
171.04521	0.6
177.01968	0.9
178.99763	0.8
183.04655	0.4
185.06105	0.8
187.04001	0.8
187.07640	1.1
188.08043	0.7
189.05548	0.5
192.00571	0.5
193.01396	0.6
195.04538	0.6
201.05640	0.8
211.04013	1.5
213.05563	0.3
215.03590	0.9
227.03641	0.7
229.04979	0.7
239.03397	1.8
241.01527	0.6
241.05051	0.8
255.03175	1.8
257.04498	0.5
267.02969	0.4
269.04559	1.4
270.04968	0.9
271.05258	0.6
279.61884	0.4
283.02600	0.9
301.03546	100.0
302.03946	4.4
315.05167	0.7
327.12387	0.6
327.16019	5.4
380.99146	0.6
451.06708	30.8
452.06952	2.4
459.13538	0.5
531.02466	7.0
531.20972	0.7
531.28931	2.4
532.02783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07202	0.4
65.00323	1.3
68.99831	0.5
72.97424	0.4
81.03469	1.4
83.01405	0.4
88.98807	0.5
91.78703	0.4
95.01410	1.4
98.22701	1.0
111.00896	11.6
112.01177	0.4
123.00897	1.2
125.02467	0.6
133.03009	1.0
134.03769	0.5
135.04520	3.9
136.98836	1.8
137.02477	0.7
139.00383	12.4
139.07690	0.4
147.06834	0.4
149.02473	0.5
151.00383	1.9
161.02495	0.4
163.00380	0.7
164.98268	2.3
165.01950	0.5
165.99178	0.9
166.99870	4.1
171.04547	0.7
177.01978	1.1
178.99889	0.6
183.04475	0.6
186.99028	0.4
187.04036	1.1
187.07643	1.3
188.08035	0.6
189.05679	0.5
192.00679	1.2
193.01312	0.7
196.42055	0.4
201.05630	1.3
211.04048	1.6
215.03519	1.1
227.03506	0.6
229.05099	0.5
233.04645	0.7
239.03654	1.9
241.01518	0.6
241.05028	0.4
255.03011	1.5
257.04669	0.6
258.01718	0.6
265.05048	1.5
268.03766	1.7
269.04459	1.7
270.04953	1.1
271.05331	1.2
273.04025	0.5
283.02457	1.3
283.05911	0.9
293.04419	0.7
301.03558	100.0
302.03922	5.2
315.05032	0.7
321.04044	1.1
339.05127	0.5
451.06729	30.0
452.07272	2.1
531.02411	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	531.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
65.00326	2.2
65.05575	0.5
66.89062	0.5
92.99821	4.4
106.87293	0.5
109.53803	0.5
110.00129	1.9
120.99323	3.3
136.98819	3.1
145.02945	8.0
163.00365	1.7
165.99103	2.0
167.05081	1.3
171.04532	11.4
184.05327	1.0
190.75198	0.6
195.04556	3.8
211.04031	2.2
239.03513	59.9
240.03877	2.2
267.02994	100.0
268.03763	61.3
269.04163	2.9
281.04395	0.7
283.06122	14.1
303.03354	1.2
325.07251	0.8
445.11353	2.1
455.13928	0.6
472.10144	13.7
473.10858	1.0
487.12482	92.4
488.12878	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	531.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30433	22.4
59.01398	100.0
59.61282	18.0
69.86080	64.1
70.91143	18.2
71.01389	34.4
77.16689	15.9
84.54195	19.3
85.02957	24.5
91.41283	17.9
96.96030	50.2
101.02431	41.7
113.02441	42.0
135.04520	25.0
222.49406	17.7
293.33499	20.2
395.35141	20.8
405.94064	21.4
487.14572	69.5
524.36993	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	531.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	82.4
61.25713	1.9
61.98835	13.0
71.01401	4.3
72.97508	8.9
73.02969	1.9
73.98324	6.9
74.99097	15.7
87.00885	100.0
89.00690	7.1
96.96030	12.2
98.95609	9.2
101.02449	2.5
116.92871	2.0
117.80941	1.7
117.97334	12.2
117.98014	2.1
118.98117	19.4
128.03496	1.7
135.04495	2.4
136.44281	1.9
162.91356	2.0
177.12862	45.7
178.13239	1.9
189.04413	1.9
245.19151	5.0
269.04681	4.5
285.04071	6.4
286.04184	2.2
287.04727	5.2
293.21149	10.5
323.20566	2.8
339.20065	6.9
341.21567	32.9
353.23404	5.7
368.97058	2.1
383.18716	9.1
383.23068	2.8
385.20532	2.3
388.92868	1.9
399.22095	3.2
403.21317	2.2
427.21594	41.7
445.22610	8.9
459.23981	3.1
471.14954	2.1
471.20551	13.5
489.21677	2.8
531.03461	5.9
531.22559	26.6
532.24780	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	531.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72414	0.5
58.02975	1.7
58.91844	0.5
59.01388	4.7
66.03490	0.8
67.73724	0.5
70.02989	1.7
71.01383	2.4
73.02945	2.1
73.04052	0.6
77.04837	0.5
81.02203	3.3
82.02994	1.9
82.06629	1.8
84.09740	0.5
85.02978	0.7
96.00926	9.2
97.06586	1.0
98.02489	21.2
99.05654	12.1
101.02452	1.0
108.04453	0.6
109.01737	3.7
112.07735	0.6
114.01974	1.6
114.05619	0.8
115.05177	0.6
119.02525	0.5
121.04134	0.6
122.09755	0.9
123.03350	0.6
130.08757	35.1
131.09082	0.7
138.09261	18.6
139.08772	4.4
140.07196	3.0
140.10834	0.6
141.06715	10.1
142.06836	0.5
147.05994	4.8
150.09331	0.8
152.07242	0.7
156.06682	0.6
156.86235	0.6
161.03511	0.6
163.08867	1.2
164.09595	1.8
165.10277	0.7
166.08762	14.5
168.10306	1.1
171.06033	0.6
179.09721	0.5
189.07037	20.2
190.07161	0.6
190.11174	0.7
197.16638	0.6
204.09073	1.6
209.09372	1.3
210.07773	3.3
225.16098	7.8
233.16637	3.9
235.18159	7.0
236.11734	1.3
236.16530	1.0
243.17139	1.6
253.19281	0.9
261.16132	8.1
279.17249	5.7
291.19800	0.9
309.20929	0.8
323.16150	100.0
324.16479	4.2
341.17307	4.2
348.12723	0.7
380.20355	0.5
400.15509	0.8
433.65912	0.8
513.23938	42.1
514.24518	2.9
531.26233	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	531.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43895	0.5
55.01864	0.9
57.03446	2.2
59.01384	80.4
60.01701	0.7
61.98830	5.7
63.91948	0.6
65.00333	0.7
69.03461	1.3
69.10806	3.9
71.01385	17.9
71.05028	1.0
72.99330	0.9
73.02953	32.0
75.00866	0.8
76.38618	0.6
77.17476	0.5
81.03484	0.6
83.01394	6.8
85.02957	6.0
87.00897	2.0
87.04546	1.6
89.02463	4.7
93.03481	2.3
95.01389	1.6
97.02983	0.9
97.06617	0.8
98.21892	1.3
99.00913	1.6
99.04550	0.9
100.93394	0.7
101.02455	15.7
106.42181	0.6
107.01411	1.1
111.00916	1.0
111.08159	5.2
111.27050	0.6
113.02451	6.9
116.92892	2.3
117.03501	1.6
119.03475	1.2
119.05042	2.0
122.02485	8.6
123.02846	2.2
123.08205	0.9
124.01649	0.6
125.02458	2.9
131.03551	0.9
133.02988	1.0
134.03752	1.2
135.04553	5.1
136.01727	0.6
138.17133	0.6
143.03481	1.0
149.04613	1.0
151.00371	5.7
153.12895	0.7
155.10820	1.3
158.03717	0.8
159.04538	1.1
161.04594	2.5
163.29539	0.6
169.12378	1.1
171.10300	2.5
173.06129	1.2
177.05672	0.9
187.04039	0.7
187.07640	3.6
197.11844	20.1
198.12132	0.9
199.04076	0.9
199.13457	1.8
201.05658	0.8
202.06454	1.9
203.10840	0.6
209.11909	0.9
211.13380	2.5
213.05605	0.6
215.07166	0.8
229.14388	3.8
231.10240	3.5
237.07813	0.8
241.05144	2.1
253.10779	0.8
263.20175	2.2
281.11783	0.7
291.19666	5.7
295.13449	1.4
309.03925	0.8
309.15182	1.7
309.20724	20.3
311.13177	0.7
323.16241	1.9
327.16031	38.0
327.21478	2.7
328.16309	2.9
335.09250	3.8
361.07220	2.0
423.33582	0.6
429.24918	1.7
469.18332	1.1
471.26038	7.5
489.26978	9.1
501.28281	0.7
513.26636	2.5
531.28229	100.0
532.28619	7.3
549.56812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43895	0.5
55.01864	0.9
57.03446	2.2
59.01384	80.4
60.01701	0.7
61.98830	5.7
63.91948	0.6
65.00333	0.7
69.03461	1.3
69.10806	3.9
71.01385	17.9
71.05028	1.0
72.99330	0.9
73.02953	32.0
75.00866	0.8
76.38618	0.6
77.17476	0.5
81.03484	0.6
83.01394	6.8
85.02957	6.0
87.00897	2.0
87.04546	1.6
89.02463	4.7
93.03481	2.3
95.01389	1.6
97.02983	0.9
97.06617	0.8
98.21892	1.3
99.00913	1.6
99.04550	0.9
100.93394	0.7
101.02455	15.7
106.42181	0.6
107.01411	1.1
111.00916	1.0
111.08159	5.2
111.27050	0.6
113.02451	6.9
116.92892	2.3
117.03501	1.6
119.03475	1.2
119.05042	2.0
122.02485	8.6
123.02846	2.2
123.08205	0.9
124.01649	0.6
125.02458	2.9
131.03551	0.9
133.02988	1.0
134.03752	1.2
135.04553	5.1
136.01727	0.6
138.17133	0.6
143.03481	1.0
149.04613	1.0
151.00371	5.7
153.12895	0.7
155.10820	1.3
158.03717	0.8
159.04538	1.1
161.04594	2.5
163.29539	0.6
169.12378	1.1
171.10300	2.5
173.06129	1.2
177.05672	0.9
187.04039	0.7
187.07640	3.6
197.11844	20.1
198.12132	0.9
199.04076	0.9
199.13457	1.8
201.05658	0.8
202.06454	1.9
203.10840	0.6
209.11909	0.9
211.13380	2.5
213.05605	0.6
215.07166	0.8
229.14388	3.8
231.10240	3.5
237.07813	0.8
241.05144	2.1
253.10779	0.8
263.20175	2.2
281.11783	0.7
291.19666	5.7
295.13449	1.4
309.03925	0.8
309.15182	1.7
309.20724	20.3
311.13177	0.7
323.16241	1.9
327.16031	38.0
327.21478	2.7
328.16309	2.9
335.09250	3.8
361.07220	2.0
423.33582	0.6
429.24918	1.7
469.18332	1.1
471.26038	7.5
489.26978	9.1
501.28281	0.7
513.26636	2.5
531.28229	100.0
532.28619	7.3
549.56812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36935	2.8
51.87496	2.7
57.66061	3.0
78.95914	38.2
81.84515	2.9
90.27954	2.8
96.96020	59.8
98.95650	4.2
115.03981	4.4
159.29230	3.2
178.88461	10.6
179.89197	5.3
180.90013	9.5
196.89508	100.0
197.89554	4.0
259.26547	3.1
265.14795	62.0
376.23792	3.1
417.93521	3.5
461.42099	3.0
531.14606	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	532.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47657	2.3
59.01383	16.5
65.99831	7.6
67.75043	2.9
69.26682	2.5
70.86031	4.9
112.98827	4.5
115.02261	4.2
140.03461	3.3
146.02402	3.6
165.05537	16.7
166.01459	3.6
171.04546	3.6
175.99899	3.2
190.01463	5.0
217.05070	3.3
225.05716	3.6
242.08224	34.2
252.06654	5.9
266.08292	3.4
268.06198	5.5
269.04282	3.1
270.07748	81.8
280.06143	21.7
294.07794	33.7
296.05750	14.0
312.08463	4.9
322.07187	6.8
338.06616	5.6
340.08411	13.9
366.06219	100.0
384.07434	6.0
447.13004	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	532.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
65.99849	2.9
69.12763	2.4
69.13173	3.8
71.85352	1.1
79.01939	0.8
81.03454	2.1
98.02493	7.8
98.22635	2.0
99.34771	1.1
100.08381	0.9
109.02985	1.2
120.00816	1.1
123.03275	2.2
124.04024	1.2
126.01979	10.7
135.03288	2.3
136.06284	1.0
138.01933	1.1
140.03545	4.9
150.01952	1.0
151.02773	2.0
165.00737	1.4
166.01485	2.6
168.03044	8.6
169.06584	0.9
171.04535	3.5
174.02045	1.5
175.99870	3.0
185.27567	0.9
189.05658	1.0
192.03015	3.1
200.76559	1.0
209.05907	1.2
218.00946	3.3
226.08716	2.2
228.06660	3.2
236.02031	3.7
238.05048	1.0
240.06610	1.2
241.05067	1.3
242.08244	17.3
252.06752	1.4
258.00778	1.0
267.06528	2.3
268.06271	3.0
269.04407	2.4
269.06985	1.4
270.07733	41.2
271.08167	2.1
280.06131	3.0
296.05624	4.1
296.09052	2.0
312.08817	10.4
322.03510	1.3
322.07278	18.2
325.82510	1.0
340.08267	100.0
341.08554	4.0
366.05856	1.2
381.96890	1.0
387.01205	1.7
432.45093	1.0
460.14444	1.2
501.09396	1.0
532.13379	1.5
533.12793	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	532.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94928	1.0
59.01384	28.3
60.01735	1.1
61.98835	100.0
69.03461	2.4
69.42153	4.4
71.01379	7.0
71.05034	4.9
73.02951	21.0
83.01382	4.3
85.02966	2.0
88.82040	0.9
89.02443	2.5
99.95790	1.1
101.02459	10.3
105.03456	2.0
113.02446	2.6
119.05059	2.5
121.02969	3.7
125.02415	1.0
125.86890	0.9
135.04550	1.4
161.02461	20.1
161.04576	1.2
184.20653	0.9
189.01941	7.3
219.03142	2.2
221.08199	18.8
287.05618	1.2
309.20636	1.3
329.23361	1.5
353.23065	0.9
491.28543	1.4
531.28064	4.8
532.28564	9.8
533.29993	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	532.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73324	1.1
60.87299	1.0
71.01917	0.9
71.41517	1.1
72.00921	17.4
91.05561	1.5
96.96007	0.9
108.97208	4.1
127.96665	1.7
147.04541	46.7
148.04852	1.1
154.97792	10.8
164.07188	47.1
165.07535	2.0
167.03543	1.7
167.82164	1.0
196.72672	1.0
200.98283	4.7
202.99889	1.2
305.89636	1.1
315.08557	1.3
440.11230	5.2
532.17700	100.0
533.17883	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	532.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33504	56.6
61.98837	100.0
68.03651	47.7
69.58311	61.7
71.40897	58.1
71.41280	65.5
77.37881	47.9
79.88446	59.7
94.04862	52.4
164.41902	66.8
225.79645	61.5
227.10242	54.2
390.82849	56.2
400.65704	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61822	56.5
50.76876	60.2
54.52283	47.3
61.98818	100.0
78.42792	69.4
80.41040	53.0
81.40074	51.5
82.30301	51.9
102.31869	52.3
168.76227	50.2
253.28786	70.2
276.16415	70.7
532.22388	72.0
536.69269	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	92.9
61.98824	85.5
70.55187	39.3
78.21046	22.2
78.95910	56.6
80.07103	22.2
87.04519	87.5
94.33063	25.6
96.71508	22.5
99.08109	22.4
99.08831	22.8
115.04008	61.5
125.63371	21.7
196.89468	100.0
197.89537	58.0
325.18497	31.2
362.90558	23.0
411.98172	24.4
489.24915	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88702	47.2
69.89021	23.5
78.97685	18.8
80.06564	19.2
82.73740	18.1
87.04543	53.6
98.21939	22.8
100.52485	18.4
112.07534	20.7
113.06081	44.0
115.04050	34.2
119.77103	20.1
122.78632	20.1
138.05656	35.0
139.04012	100.0
236.63608	19.4
277.21603	26.1
328.03644	21.7
399.36761	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	532.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37299	0.8
59.01385	34.5
69.19040	4.6
72.97524	1.4
73.98328	5.8
74.99100	1.0
85.02939	0.8
86.02481	16.4
89.00678	2.2
116.55367	0.7
120.01247	2.2
125.63185	0.7
128.28793	0.9
177.12862	12.3
191.14474	0.8
194.36919	0.8
201.33784	0.9
203.59065	0.8
205.10634	1.0
245.19093	3.3
247.20816	0.8
265.21976	1.0
293.21420	1.2
323.20523	8.5
339.19885	1.6
341.21570	100.0
342.21869	5.2
349.18454	1.6
366.24683	3.3
367.19476	1.5
376.24683	1.2
385.20544	5.0
403.21582	8.1
404.21844	1.0
410.23752	13.8
411.24191	1.1
428.24768	65.4
429.24799	4.5
439.72937	0.9
445.22565	3.6
454.22537	2.5
472.23706	23.7
473.24158	1.9
486.52405	0.9
490.24921	10.4
514.25085	2.0
532.25916	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	532.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80203	4.7
59.46154	5.6
62.05695	6.1
66.76306	5.4
69.17313	37.0
78.95905	23.7
85.50003	4.7
152.99559	6.5
188.00331	5.6
217.51009	6.5
224.06905	8.2
225.51418	5.9
255.23315	100.0
256.23679	10.0
257.23981	12.4
319.60770	5.8
480.30954	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0941
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
59.01389	3.7
65.00328	2.0
69.34941	1.1
69.35319	1.6
73.02960	1.1
78.02385	0.5
82.00618	1.0
93.03491	0.6
95.01374	0.6
108.02203	0.5
110.00111	8.7
113.02467	0.8
117.03493	2.2
119.05033	2.9
123.00925	0.7
130.04385	0.6
131.05040	0.6
136.98839	2.6
137.99619	1.6
139.00346	0.5
148.52177	0.5
155.05089	1.0
157.06622	0.6
159.04520	1.1
161.02438	0.5
163.00371	1.9
164.98297	0.7
165.56049	0.5
165.99100	8.3
167.05101	1.2
171.04526	1.4
175.04054	0.6
183.04517	1.7
185.06100	2.4
187.03995	1.2
195.04529	1.1
199.03989	1.0
200.04810	4.1
211.04050	4.9
212.04694	1.4
213.05576	1.9
223.04086	0.7
225.05649	0.7
227.03494	4.1
228.04359	1.2
239.03523	6.6
240.04349	2.2
241.05093	1.3
253.04993	1.1
255.03009	6.4
256.03726	2.9
257.04807	1.0
267.02914	2.8
269.04645	1.3
281.04584	7.2
283.02524	7.9
284.03296	85.6
285.04065	100.0
286.04443	3.4
297.04086	1.1
429.08368	9.3
430.08597	0.7
447.09369	42.4
448.09723	2.3
489.10443	83.9
490.10602	4.2
533.13092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
59.98074	0.3
63.02422	1.3
65.00338	1.1
71.01396	0.7
71.39753	0.3
73.02938	0.5
83.01385	1.0
85.02988	0.3
89.02415	0.3
91.71289	0.3
96.48305	0.3
105.03488	0.7
107.01401	2.8
109.02981	2.7
115.10799	0.3
116.92881	0.6
121.02979	4.4
133.02979	11.4
134.32736	0.3
143.04967	0.3
147.04535	0.3
149.02455	5.0
151.00383	5.2
151.03995	0.4
171.04556	0.7
173.02417	0.4
173.06154	0.5
175.04018	3.4
177.01997	0.9
185.06100	1.1
187.04033	0.4
197.06134	0.9
198.03265	1.3
199.04025	4.8
199.05762	0.5
201.01949	0.9
211.03966	0.9
212.04868	0.9
213.05554	1.5
215.03474	0.4
217.05077	1.8
229.05054	0.7
239.03487	0.6
240.04240	0.5
241.05066	2.7
242.02197	0.4
243.03008	1.4
253.05083	0.6
255.02975	0.5
256.03738	0.9
257.04416	0.6
267.03043	0.6
269.04611	0.4
281.04721	0.4
284.03284	1.0
285.04074	100.0
286.04401	4.1
297.04044	0.4
299.05777	0.8
327.05170	2.0
341.21555	0.5
447.09567	1.6
489.10446	65.5
490.10831	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	533.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35646	1.9
59.01374	8.5
65.00320	6.2
69.74252	5.0
69.74641	5.8
70.09622	2.2
71.01389	8.2
77.34081	2.1
81.03464	14.9
83.01411	5.2
85.02964	4.1
89.02450	2.7
95.01379	3.2
95.51239	2.3
101.02468	4.6
111.00893	83.7
113.02460	6.7
123.04545	5.9
125.02446	3.6
133.02985	5.0
134.03763	6.0
135.04546	27.8
136.98805	3.3
139.00386	100.0
140.00821	2.9
147.52341	2.3
161.02478	8.3
161.04567	2.7
164.98338	5.2
165.42404	2.2
167.03514	8.2
175.04089	2.6
175.06024	2.1
179.03532	6.1
187.74037	2.3
204.94568	2.4
209.04660	3.0
214.02841	2.2
215.03532	8.6
227.03670	2.9
231.06578	6.7
239.05692	2.2
251.09314	3.5
255.02870	2.9
285.04007	4.1
293.10388	19.3
299.01895	4.6
301.03571	98.8
302.04041	4.4
302.60797	2.6
311.07831	6.5
314.04355	5.4
323.11179	16.6
329.06830	3.8
353.10583	3.1
371.20572	4.9
377.11578	8.8
511.89999	2.3
533.16693	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	533.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	23.5
67.58489	2.6
68.99807	3.7
71.01407	5.7
73.02963	4.4
85.02982	4.2
91.05532	5.2
92.99889	5.3
96.99328	4.7
99.52230	2.9
109.85845	2.9
110.00151	3.6
113.02440	8.5
114.24870	3.0
119.05037	25.0
136.97925	3.6
136.98785	17.1
145.06656	9.8
163.07753	5.3
164.98329	39.9
165.98940	2.8
171.04552	11.1
173.06090	9.8
174.99545	3.3
186.17606	2.8
189.05598	20.6
192.03101	3.3
199.04079	5.2
217.05103	36.7
217.19913	2.8
219.06702	7.3
225.05647	3.8
239.06956	3.0
241.05087	8.7
241.55983	3.4
243.06555	7.5
269.01797	6.3
269.04559	100.0
270.05130	5.7
270.07758	7.4
271.06122	27.2
368.23935	3.3
392.29037	2.8
398.13889	9.9
401.81766	3.4
415.11652	4.4
533.17670	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1302
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01393	2.7
65.00331	1.3
69.24153	3.1
71.28542	0.5
79.51289	0.6
82.68604	0.5
101.02442	0.5
108.46487	0.6
109.42297	0.5
111.00864	1.6
132.76312	0.5
133.02963	2.0
135.04559	0.7
136.98842	2.9
139.00388	1.5
150.14371	0.5
151.00394	0.6
152.01154	0.6
153.01825	0.6
161.02463	0.6
164.98289	4.5
166.99876	0.5
171.04543	0.9
177.01932	0.7
180.00615	0.9
199.04077	3.7
201.01952	1.2
205.01360	0.6
227.03560	2.4
241.05032	0.6
243.02885	1.1
269.04547	1.4
270.01849	0.9
271.02502	7.7
285.03983	2.4
287.05557	0.6
296.03226	1.8
298.01065	1.4
299.01978	56.9
300.02301	2.1
301.03763	2.8
303.03998	0.9
313.03598	4.1
314.04327	29.4
315.04678	1.5
328.05966	1.2
329.06671	100.0
330.07117	5.4
338.04218	0.7
451.06732	0.8
533.13214	2.4
533.29578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87014	0.7
56.56809	0.6
57.03450	0.7
59.01372	2.2
64.99986	1.2
65.00329	19.1
68.99828	1.2
71.40582	0.6
72.11284	0.6
73.02953	24.1
83.01422	1.5
92.99818	2.9
93.03477	1.3
93.96642	0.6
95.01404	1.2
96.99325	5.1
108.99332	1.1
109.02975	0.8
110.00089	6.0
111.00912	1.3
117.01984	0.9
119.05035	0.9
120.99328	3.1
124.01664	2.2
135.00891	1.7
135.04509	1.2
136.97810	1.1
136.98816	15.4
137.02440	0.7
137.99574	1.1
140.99760	1.0
143.05103	0.6
145.02950	1.2
145.06622	2.3
152.01135	1.2
157.01442	0.8
163.00375	2.0
164.98306	34.6
165.99126	4.0
169.06612	2.3
171.04536	2.8
171.08339	0.8
173.06082	2.2
177.99046	1.4
181.06616	2.0
189.05586	2.3
189.39000	0.7
193.06612	0.7
195.08098	0.7
197.06122	2.2
199.04056	2.9
199.12782	0.8
201.05609	1.1
209.06035	0.9
211.07701	0.8
213.05518	1.4
223.07561	1.0
225.05544	3.7
228.97800	0.9
237.05753	0.6
239.07184	3.1
240.91142	0.7
241.05093	10.0
242.05531	1.4
243.06668	6.3
259.70175	0.7
263.03510	1.5
265.05121	1.1
267.06625	7.7
269.04572	100.0
270.05127	7.5
270.07785	1.3
271.08200	1.3
285.15021	7.1
287.03690	1.2
291.02979	1.3
293.04501	1.6
311.05450	1.5
311.16476	2.1
329.06726	1.7
329.17609	28.1
331.02640	1.6
359.01932	1.1
371.12949	1.9
387.01501	7.1
397.10626	3.3
415.11908	21.9
416.12033	2.0
432.45099	0.7
433.12842	1.9
449.07080	0.8
457.12854	0.9
501.12085	1.8
505.05676	1.6
533.24042	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	533.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
65.00330	17.7
69.05384	2.4
69.05791	1.8
73.02952	22.2
87.33356	0.7
92.99825	3.5
95.01378	0.9
96.99306	3.5
107.05055	0.9
108.99292	0.8
109.02996	0.7
110.00100	5.2
111.00891	1.1
113.37115	0.5
119.04990	0.6
120.99308	2.9
122.48120	0.6
123.00826	0.7
124.01667	2.7
133.06584	0.8
135.00894	1.3
136.98819	14.6
137.99609	1.7
139.00372	1.0
145.06590	1.5
149.99660	0.9
152.01137	1.2
152.98288	0.6
158.02480	0.6
164.98306	37.6
165.99075	3.9
169.06543	1.3
171.04518	2.3
173.06102	2.3
176.01164	0.7
177.99043	1.1
181.06606	1.4
189.05678	1.6
193.06567	1.2
197.06038	1.9
199.03990	2.9
200.30234	0.6
201.05540	0.8
203.44286	0.6
213.05609	1.7
221.06027	0.9
221.08179	0.7
225.05594	2.7
227.03462	1.2
239.07172	2.5
241.05058	8.4
243.06619	7.7
249.05605	0.7
263.03601	1.0
265.04987	0.8
267.06628	5.3
269.04562	100.0
270.05115	7.3
270.07761	1.0
279.03021	0.6
285.07642	0.7
293.04526	1.5
297.05865	0.9
329.17899	0.7
331.02264	0.8
369.11411	1.0
371.12863	1.0
387.01367	2.6
397.11017	4.9
415.11911	28.0
416.12265	1.8
433.12897	2.5
501.11987	1.1
533.13940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
63.02403	5.2
65.00329	16.6
67.01891	1.6
68.99821	4.5
69.03457	7.2
71.40375	1.4
71.93206	1.0
73.02961	4.6
73.31647	1.0
81.03444	2.2
82.00606	1.8
83.01383	13.0
87.00888	1.3
91.01896	2.4
91.89409	1.1
92.99816	4.2
93.03464	13.8
95.01405	10.8
95.01965	1.8
96.99336	3.4
107.01403	4.2
109.02969	8.5
110.00101	9.0
111.00893	5.2
113.02468	3.9
115.04039	3.3
115.47192	1.2
116.67290	1.2
117.02670	1.3
117.03478	1.1
119.01409	4.2
119.05031	2.9
120.99316	3.0
124.01662	2.8
127.04032	1.6
131.04979	2.0
133.06519	1.2
135.00899	33.6
135.04515	13.0
136.98817	13.1
137.02454	9.1
139.00436	2.9
140.99878	1.7
145.02994	2.9
145.06589	3.6
147.04529	6.5
148.01651	2.0
149.02480	1.2
151.04021	1.5
152.01256	1.6
155.08727	1.3
157.01457	7.4
157.06596	3.2
163.00398	31.1
164.98309	24.9
165.07059	2.5
165.99030	4.0
169.06589	3.8
171.04523	3.9
171.08156	1.8
173.06042	7.3
176.01183	8.0
177.99001	1.7
178.99904	1.6
181.01535	2.9
181.06596	5.5
184.98888	1.2
189.05586	33.7
193.06688	2.1
195.04506	1.7
195.08189	2.7
197.06113	9.3
199.04005	1.8
199.07684	5.5
201.05621	1.2
209.06116	9.8
211.07640	3.8
213.05611	2.3
213.09192	2.9
221.06056	2.9
221.08139	2.3
223.07678	9.2
225.05592	9.6
226.06322	1.4
227.03413	1.1
237.05550	3.9
239.07170	34.6
241.05135	8.4
241.08678	9.9
243.06613	9.7
249.05562	1.9
255.06577	1.6
263.03629	3.3
265.05090	4.9
265.08560	1.1
267.06647	100.0
268.06857	4.3
269.04538	43.5
270.05157	2.7
270.07797	1.4
283.06192	2.4
285.07684	16.0
287.03333	1.9
291.03027	3.6
291.06601	3.3
293.04648	13.0
309.07706	2.1
311.05609	24.7
312.06088	1.4
329.06696	45.0
329.13843	2.3
329.17438	2.2
330.07050	2.3
331.02469	3.2
351.08713	2.8
353.06622	1.9
359.01862	3.5
371.12881	1.9
375.30255	1.5
387.01584	14.3
400.02536	2.2
403.56607	1.4
413.13907	2.4
415.11615	1.9
439.11914	1.7
457.13055	4.6
501.12006	31.4
501.19250	1.0
502.12140	2.9
505.05786	2.0
533.14734	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	533.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15711	1.6
58.09061	1.2
59.01387	3.8
61.98825	4.5
63.65250	1.2
70.98273	1.9
81.83752	1.5
84.52579	1.4
97.09871	1.2
117.03477	4.5
119.05032	2.9
132.90259	1.4
134.03757	88.6
137.02448	6.5
139.03999	2.8
145.02979	3.0
149.06082	13.8
178.02740	24.3
193.05070	100.0
194.05515	2.1
207.08287	1.8
218.07375	1.4
221.06091	1.8
235.07704	3.5
245.06256	1.5
246.06772	1.8
251.07289	2.1
253.08537	1.6
263.07068	9.2
268.11182	2.7
281.08264	15.0
291.06592	4.0
292.07224	2.2
293.08200	5.6
294.08929	2.9
295.09610	1.5
296.10553	5.1
307.09616	2.2
308.10361	3.2
309.07724	63.5
310.08029	3.1
323.09406	6.9
324.10046	28.6
326.01605	1.5
329.17609	3.2
339.12384	59.1
339.16483	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	533.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.5
61.98822	1.1
65.00307	0.9
66.86935	0.9
68.80552	0.9
71.01382	14.1
71.41815	0.8
73.02950	3.2
80.22737	0.8
85.02953	4.3
87.00871	1.3
89.02457	12.1
91.01914	2.3
93.03473	1.1
95.01432	1.4
96.96070	1.0
99.00890	1.1
101.02462	7.8
113.02452	5.4
119.01369	6.4
119.03493	3.1
119.05033	2.3
121.02954	5.7
121.96428	1.2
134.03772	1.4
135.04518	2.7
147.00909	3.5
147.04518	2.6
147.06631	1.8
149.01262	1.9
149.02460	37.9
150.03087	1.4
151.04018	1.0
161.02457	1.6
162.03191	1.4
163.04080	2.6
164.04805	33.7
165.01949	1.8
165.05472	1.4
165.07687	8.3
175.00375	37.5
176.00890	1.7
179.05727	1.4
179.07043	5.1
189.02017	1.1
190.02731	93.7
191.03296	5.7
203.07187	1.7
205.05058	100.0
206.05688	6.3
207.03008	2.0
208.03786	2.3
209.04570	2.2
221.08167	5.7
223.06125	73.7
224.06470	2.5
225.79694	1.1
237.07732	2.4
250.04779	2.7
265.07193	19.9
266.07669	1.4
285.03918	1.7
289.27847	1.0
295.08139	3.4
309.11932	2.1
325.09229	4.7
327.12967	2.2
367.10153	1.8
371.24701	1.3
518.16809	1.3
533.18768	97.9
534.19226	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	533.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
61.98836	100.0
70.93256	0.6
76.03777	0.4
93.03513	0.5
101.90577	0.4
114.85511	0.4
119.05039	2.1
121.62845	0.4
133.03035	0.4
135.04539	1.6
143.67307	0.5
153.69435	0.4
161.73753	0.4
164.68547	0.4
207.24602	0.4
285.14993	1.4
313.14590	0.7
327.16092	0.5
328.16547	0.5
329.17606	10.9
457.14099	0.7
533.24182	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	533.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
57.83516	1.3
59.01384	100.0
61.98841	2.3
71.01388	10.3
71.43070	1.7
73.02964	7.7
77.75726	1.2
83.01424	1.2
85.02971	6.3
87.00883	5.7
89.02459	3.5
98.02477	3.1
99.00920	2.2
99.38311	1.2
101.02444	7.2
108.14998	1.4
113.02448	6.5
116.84506	1.2
119.05044	2.0
123.04477	1.5
125.06092	2.8
130.08743	2.9
138.09235	3.2
143.03526	1.6
161.04579	3.3
198.53963	1.2
263.71082	1.3
323.15979	6.9
324.16345	3.6
325.16708	4.1
329.17691	2.8
429.21329	12.5
447.22501	9.0
515.23926	5.3
532.28046	2.1
533.29816	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	533.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
73.02949	0.3
84.42186	0.3
96.65205	0.3
98.21255	0.3
103.01600	0.3
105.52889	0.3
142.67734	0.3
148.47495	0.3
181.12373	0.3
196.65065	0.4
215.10820	0.8
217.12341	1.8
227.10843	0.4
241.12553	0.4
255.13934	1.4
267.06650	0.9
269.04535	0.4
269.15536	2.6
270.16193	1.1
277.15936	0.4
283.17041	0.6
285.18622	46.9
286.18973	2.5
328.16922	0.4
329.17603	100.0
330.17981	4.2
387.01447	1.0
473.21906	0.8
533.23956	17.7
534.24304	1.3
539.39374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87663	0.2
54.45507	0.2
59.01374	0.7
61.98830	0.8
70.19253	0.6
88.90105	0.2
96.01846	0.3
101.02438	0.2
104.87318	0.2
119.05038	0.6
134.03745	0.4
135.04555	0.4
154.07628	0.2
175.04030	0.4
188.04785	0.5
189.05507	0.3
193.05101	0.4
241.16069	0.4
249.80304	0.2
255.10329	1.4
257.15479	0.5
267.10269	0.8
269.11899	1.4
270.12659	1.1
281.11838	0.2
283.13403	0.6
285.14993	19.8
286.15292	0.8
299.12936	0.3
309.07745	0.4
311.13351	0.3
311.16574	5.5
312.16888	0.4
313.14560	1.0
327.15982	1.4
328.16702	0.7
329.17609	100.0
330.17957	4.6
533.23999	9.7
534.24316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.3
55.38001	1.4
57.03447	6.0
59.01384	76.6
65.00307	3.8
69.03445	1.5
71.01387	90.4
72.99310	1.3
73.02950	24.6
75.00863	1.6
79.95743	5.5
81.03456	1.5
83.01396	18.4
83.01854	2.5
85.02959	45.7
87.00877	8.8
89.02450	34.1
95.01385	9.0
96.96016	1.9
97.02959	2.5
99.00896	10.5
101.02451	76.1
107.01398	4.6
111.00864	2.4
113.02462	46.2
119.03515	14.2
119.05080	1.8
121.02982	1.5
125.02458	4.4
126.40367	1.3
129.01953	1.6
131.03511	3.8
133.02927	1.5
143.03540	7.0
151.00397	12.4
159.03024	7.8
161.02515	1.9
161.04575	42.1
163.30365	1.3
164.98302	2.7
167.03552	1.4
174.03232	1.6
179.05602	4.4
196.84438	1.6
209.15479	6.7
221.06610	3.3
221.97398	5.7
251.40967	1.6
284.03308	4.1
285.04062	50.4
286.04407	3.1
371.20770	93.7
372.21060	6.2
395.11111	2.4
428.52582	1.7
533.26105	100.0
534.26337	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	533.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24310	2.2
59.01385	100.0
61.98853	10.5
65.00320	2.2
65.90240	2.4
67.72361	2.0
71.01381	13.6
71.43648	3.5
73.02948	18.9
78.35420	2.1
83.01380	4.6
85.02977	3.5
88.37997	1.9
89.02466	5.9
91.34558	2.7
95.50280	2.4
101.02483	12.8
113.02460	6.4
116.92928	2.2
117.03503	3.0
119.03511	2.0
119.05032	10.7
135.04559	6.5
135.24445	2.8
147.04552	3.2
165.12878	3.3
173.70555	2.3
179.74911	2.2
183.14136	2.4
201.80843	2.1
209.11847	3.1
227.12871	6.4
231.15982	4.7
311.16382	4.2
319.17426	2.3
327.32925	2.4
358.82742	2.5
471.26279	3.0
489.27109	62.8
490.27347	3.5
533.23462	12.0
533.33929	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	533.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58742	0.6
61.98837	0.7
84.95119	1.5
85.00456	0.9
87.04523	100.0
88.04865	1.1
113.87362	0.7
115.04025	26.2
155.14154	0.7
164.92050	0.6
169.54988	0.7
189.34073	0.7
308.79361	0.7
435.23755	0.9
487.02649	0.7
505.28262	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91943	19.2
69.06645	100.0
69.07049	36.7
82.17791	17.9
98.38615	17.2
103.92758	17.2
107.05101	17.2
145.11644	17.3
148.03702	16.8
176.85420	19.7
196.83206	17.1
198.46773	17.4
220.64864	16.8
269.04459	36.2
269.95285	16.4
270.05106	28.6
270.07693	26.7
280.06039	22.0
408.30475	17.8
439.13647	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	534.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27370	21.5
56.11284	21.1
60.37264	22.5
66.51289	22.2
69.84715	53.6
82.02898	21.5
90.25526	19.6
101.26741	24.9
105.62477	23.9
115.04026	100.0
139.04018	48.3
295.79263	24.4
439.88022	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	534.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70919	0.8
78.95911	7.8
85.52033	0.8
107.85294	0.7
112.26296	0.8
112.52509	0.8
129.45908	0.8
138.92218	1.3
140.01234	2.5
152.99583	1.2
175.29939	0.7
196.03870	1.8
203.28055	0.8
214.04840	2.1
279.23315	100.0
280.23608	3.4
337.19189	4.6
420.18173	0.8
476.27847	26.8
477.27698	1.1
484.60724	0.9
534.23584	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	534.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74205	3.0
51.85895	3.0
58.90998	3.7
59.01362	3.9
71.43569	3.6
78.95914	21.3
87.00887	3.3
95.63038	3.0
101.26491	3.0
102.95227	3.2
135.04517	4.6
152.99597	20.9
159.69720	3.0
173.43024	3.1
196.89435	15.9
197.89478	6.6
204.69548	3.7
253.09306	13.4
255.23318	100.0
256.23663	4.4
463.07037	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	534.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95390	3.2
56.99710	3.7
60.00743	3.2
61.98837	6.4
64.50266	3.5
69.76291	8.7
77.05403	3.0
78.94009	3.0
78.95927	41.3
79.05816	3.0
96.96030	3.3
152.99626	9.3
178.88484	7.2
180.90089	6.2
181.90100	6.3
196.89500	82.8
197.89528	45.0
217.09337	3.2
253.09431	9.7
255.23320	100.0
256.23746	4.3
315.48618	3.6
366.79904	4.2
382.95987	3.7
534.16504	8.2
534.32495	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	535.073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85695	2.2
57.57560	2.5
59.01382	6.7
60.99310	17.2
63.33423	2.3
69.03459	2.3
71.01380	4.2
85.02953	6.3
88.98807	100.0
91.01947	2.5
104.18848	2.6
109.02969	8.8
113.02461	16.6
135.04486	4.9
136.98767	3.0
139.00388	5.6
141.07178	2.6
161.02451	9.6
167.03470	5.1
169.05006	3.6
175.02530	5.8
223.03934	2.7
254.74588	2.5
269.04556	91.4
287.05685	2.3
308.94760	2.8
331.08163	9.3
333.42444	2.5
392.12616	2.4
445.07629	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	535.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65927	2.5
59.01384	12.9
59.53770	2.4
61.12318	2.0
64.00014	2.9
65.00311	5.2
70.76098	3.1
71.01363	4.9
72.99287	2.3
73.02979	2.9
75.00877	2.5
78.12849	2.1
79.42449	2.8
82.00620	4.8
85.02944	5.3
89.02457	2.9
93.03483	4.3
95.01395	7.4
96.30580	2.4
96.96059	2.9
101.02522	2.4
102.98653	3.9
108.02175	37.8
110.00111	37.0
111.00914	4.3
113.02463	4.8
115.73708	2.3
119.05042	30.2
120.01295	4.8
123.00889	7.6
123.04520	10.9
124.01658	4.3
125.02437	3.0
136.98778	6.1
137.02377	3.9
137.99637	12.7
139.00380	20.2
141.01953	5.1
151.99969	4.4
152.01170	71.5
153.01956	29.2
164.04852	3.7
165.99080	26.2
166.99904	30.1
167.03499	100.0
167.04915	5.7
168.03876	3.9
173.42216	2.3
175.00337	3.2
178.99838	3.1
180.00668	9.5
181.01418	18.2
190.02730	11.2
193.01456	7.0
205.05078	13.0
223.05893	2.7
241.05075	5.9
244.98288	2.6
258.05197	3.1
269.04556	9.0
286.04874	35.5
287.05624	99.5
288.06018	5.5
367.10352	15.5
431.09656	3.5
449.10925	13.9
491.12024	78.2
492.12164	5.1
535.18286	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	12.9
59.01386	10.5
61.50690	1.5
61.98836	11.9
63.10746	1.4
65.00319	4.6
69.34956	3.9
69.35360	5.4
71.01389	2.5
73.02982	1.6
78.63511	1.5
78.95899	4.6
81.03458	3.5
83.01377	8.8
85.02934	1.9
87.00884	1.7
89.02418	1.8
93.03461	5.8
96.96018	11.8
96.96958	7.8
107.01413	9.0
107.05050	3.0
109.02959	3.6
119.05032	2.2
121.02953	9.5
124.01690	3.4
125.02464	89.3
125.30824	1.4
131.05035	1.9
133.02986	4.0
134.03780	3.1
135.04515	6.2
136.98834	1.6
137.02486	3.8
144.31950	1.9
147.51825	1.7
149.02495	8.8
151.00381	32.9
152.01144	8.2
153.01921	9.2
157.06615	2.2
161.02473	2.1
162.03256	3.5
165.01939	25.6
173.06050	4.6
175.04071	2.1
177.01907	1.9
177.05612	4.7
178.99884	12.7
179.03497	11.1
184.82668	1.5
193.05072	3.0
197.06155	1.9
199.03966	1.7
201.05600	2.9
203.03619	2.2
213.02106	1.8
215.07155	4.0
225.05635	5.0
227.03520	2.6
229.01414	3.2
230.01997	1.8
231.02985	4.9
241.05138	4.2
243.06702	5.0
259.06134	100.0
260.06464	2.9
269.04578	92.9
270.04761	3.6
287.05627	46.3
288.05853	2.3
298.01227	3.5
299.01880	4.5
331.04959	2.1
384.06873	4.8
443.66388	1.7
463.12253	2.1
473.10822	4.0
491.12021	43.5
492.12369	3.1
503.08209	2.5
535.07568	5.4
536.14435	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	535.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59623	0.5
57.03436	1.0
59.01384	1.8
63.02387	2.5
63.82891	0.6
65.00332	14.1
71.01384	1.0
73.02957	1.0
83.01393	7.0
96.96027	2.4
100.12302	0.7
107.01402	20.0
109.02946	1.8
125.02455	10.8
128.03564	0.7
133.02942	2.0
133.47133	0.7
134.03740	1.5
135.04539	75.4
136.04869	1.4
149.02472	1.4
151.00385	100.0
152.00716	1.5
161.02461	5.1
169.01437	4.0
177.01941	1.5
187.05792	0.7
269.04501	0.8
287.05643	79.7
288.05975	3.8
355.06754	5.4
446.31216	0.7
491.12079	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92452	1.5
55.01863	1.5
56.89109	1.4
57.03455	4.5
57.97553	8.6
59.01384	20.7
59.94191	1.5
61.98827	3.3
69.80995	5.7
71.01387	26.4
72.99297	9.4
73.02945	6.4
75.00878	21.8
81.03477	2.9
83.01398	5.5
85.02959	40.1
87.00896	8.1
89.02444	5.9
95.01400	4.5
95.05039	2.5
97.02982	3.3
99.00909	12.1
99.04498	2.1
101.02458	4.7
103.00362	5.8
105.68755	1.5
113.02460	45.9
115.00401	4.4
117.01952	3.1
121.02959	10.0
123.04520	6.0
125.02445	5.0
129.01964	2.8
129.45184	1.6
131.03477	2.9
135.04550	2.0
137.02463	2.0
137.06119	3.0
138.03258	1.9
139.04025	3.3
143.03526	2.0
144.03975	1.4
153.05583	8.4
165.05650	2.0
167.03528	12.6
175.02452	2.1
179.03432	1.9
180.04439	1.4
183.02930	1.8
190.12793	1.5
193.03529	12.4
193.05045	2.1
197.04546	9.5
209.04564	18.4
215.38449	1.6
221.04604	3.9
239.05663	9.5
251.05650	16.8
263.05536	1.6
267.26929	1.6
269.06607	1.9
277.07309	1.6
281.06754	7.9
295.08249	22.3
295.43057	1.7
298.01028	1.7
307.08270	3.3
311.07693	2.1
319.06796	4.2
325.09296	20.5
329.64017	1.6
337.07785	100.0
338.07877	3.8
355.10284	6.5
360.41519	1.9
371.05283	2.0
397.11362	2.8
415.12515	9.9
427.12396	3.7
535.12512	19.9
536.13379	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	535.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88272	0.5
59.01383	14.4
65.00344	0.9
69.18521	3.2
93.44733	0.6
103.12338	0.5
117.03448	0.6
121.29919	0.6
124.01662	1.0
130.14952	0.6
131.83662	0.6
136.98825	2.5
152.01149	1.7
164.98317	6.5
169.03075	0.5
180.00618	1.9
183.04465	1.2
211.04031	1.5
239.97572	0.7
255.02954	7.0
269.04684	1.6
283.02496	47.2
284.02774	1.8
297.04086	1.6
298.04831	32.0
299.05154	1.8
313.07184	100.0
314.07584	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09321	0.7
59.01385	35.2
61.98827	0.5
62.06735	0.6
65.03966	0.8
69.29687	2.6
71.01385	10.6
71.05039	0.6
72.99306	0.7
73.02949	9.0
77.56527	0.7
80.02666	0.9
81.03470	2.0
83.01398	1.8
85.02976	3.4
89.02454	2.9
91.01901	1.1
95.01401	1.6
97.03002	0.7
99.00887	1.4
101.02467	5.3
107.01412	0.7
108.02184	33.1
109.02989	6.3
113.02470	5.8
119.01385	3.3
119.03494	1.0
119.05099	0.7
120.32619	0.6
121.02973	1.8
123.04538	12.9
125.02392	1.1
131.03532	0.8
134.03662	0.8
141.44209	0.7
147.00922	1.9
149.02458	6.6
150.03241	2.5
151.00317	1.2
152.01163	68.0
153.01543	1.0
161.02489	0.9
161.04486	0.7
162.03210	0.7
163.04044	1.0
164.04822	6.3
165.01962	1.0
166.02715	5.0
167.03510	100.0
168.03839	2.3
171.79745	0.6
175.00375	15.5
176.01183	5.4
179.07135	1.2
181.05074	5.7
189.01944	0.6
190.02737	35.5
191.03499	7.6
193.04944	0.8
194.02258	0.9
205.05066	34.6
207.06566	0.6
208.03766	1.3
209.04543	5.3
223.06166	6.3
235.06172	0.8
247.06279	0.8
251.05699	0.6
252.14983	0.7
265.06985	0.7
269.06729	0.9
284.06412	0.7
286.04419	0.7
353.08798	15.3
367.10345	45.3
368.10574	2.2
437.11188	0.8
439.10538	0.7
475.17041	1.0
475.23434	14.1
476.24231	0.7
493.24573	3.7
535.14294	5.2
535.25732	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	535.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76670	1.1
55.01871	1.6
57.03452	4.9
59.01384	22.7
61.98829	1.3
63.43147	0.9
69.77795	2.2
69.78180	1.8
71.01385	39.2
72.01719	1.0
73.02953	1.0
79.95743	1.5
80.51108	0.9
83.01369	3.2
85.02958	49.6
86.03267	1.7
87.00866	1.1
89.02444	10.1
95.01398	18.5
96.96018	3.7
98.50494	0.9
99.00914	1.9
101.02446	3.4
103.03972	1.8
109.01159	1.7
113.02455	100.0
114.27724	1.1
119.03527	1.2
119.05007	1.0
131.03503	1.0
133.02995	2.3
135.04541	13.4
137.00691	16.0
138.01450	2.3
143.03467	2.5
161.04573	10.8
165.00145	12.4
166.00941	53.4
167.01747	6.6
175.03990	1.8
191.01743	27.7
197.04456	1.4
209.02786	15.1
213.02328	1.1
301.03583	1.6
315.10550	1.3
347.08011	2.9
353.06894	1.2
371.08063	3.5
461.16641	15.0
517.13867	90.3
518.14429	5.9
535.14990	36.6
536.15540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49797	10.7
58.47485	10.8
58.50729	11.2
59.01387	47.8
61.30582	10.0
69.96555	27.1
70.38544	12.2
71.01383	23.0
72.99317	46.5
73.02954	13.2
78.31615	9.8
78.95895	26.1
85.02961	20.4
89.02464	25.5
113.02469	47.3
176.04353	12.3
192.87424	13.7
193.03598	100.0
207.05127	26.4
266.78055	10.3
302.46411	12.0
326.99426	11.6
341.10812	25.6
494.20093	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	535.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84391	0.2
53.22857	0.2
55.01876	0.2
59.01383	7.4
69.13043	1.6
70.94357	0.3
71.01388	2.5
72.99308	0.4
73.02964	1.6
77.13805	0.3
80.72227	0.2
83.01398	0.4
85.02948	1.4
89.02448	1.2
93.03465	32.8
94.03800	0.6
95.01400	0.4
99.00902	2.1
101.02453	1.6
113.02454	1.6
119.03536	0.4
125.02512	0.5
133.25905	0.2
137.02457	100.0
137.84518	0.2
138.02795	2.2
159.02924	0.3
161.04576	0.8
167.03496	0.6
280.04877	0.2
289.16705	0.3
415.15915	0.3
433.20657	0.5
474.56104	0.2
475.31366	0.2
479.50876	0.3
493.23212	1.3
516.27905	0.2
535.18256	2.8
535.31097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1823
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
56.41196	0.5
59.01389	4.8
61.86676	0.4
68.54939	0.5
71.01388	1.0
72.20310	0.5
73.02901	0.6
73.76617	0.4
77.33704	0.5
80.57558	0.6
81.95261	0.5
85.02966	0.8
88.98819	0.4
89.02470	0.8
98.22602	1.5
101.02462	1.1
107.58121	0.5
111.00889	0.5
113.02438	0.8
119.05022	1.8
137.94783	0.5
138.88303	0.5
152.01189	0.6
153.01959	0.8
163.04057	0.6
164.98300	0.6
165.05508	1.2
177.05609	0.7
179.10770	1.6
196.90219	0.5
204.04323	3.0
205.05005	0.7
213.05458	0.7
215.07216	0.8
217.04979	0.6
231.06651	1.0
241.04880	0.7
243.06631	5.9
244.07455	1.2
245.08211	0.7
255.10321	1.9
259.06143	0.8
261.07736	3.1
267.10229	2.4
269.04556	0.8
280.07440	2.4
281.08148	1.4
283.02393	1.6
283.13055	0.5
285.11411	0.7
293.08240	1.2
294.08893	1.4
295.09781	6.2
296.10538	1.9
297.11267	0.7
298.05048	0.6
298.08392	2.4
299.09241	4.6
299.12927	2.0
309.07907	0.9
309.11285	0.6
310.12146	0.8
311.09235	1.4
311.12939	1.6
313.07193	2.9
313.10828	5.3
314.11499	0.7
320.05875	0.6
322.07080	2.3
327.12457	0.7
329.14130	2.2
331.19186	1.5
337.07233	1.1
338.08047	0.7
339.08807	4.1
340.09360	1.3
343.11938	1.5
355.07898	0.5
355.11859	5.7
355.52780	0.5
357.09799	14.9
358.10040	0.9
371.11237	3.3
372.12167	17.8
373.12927	42.2
374.13269	2.1
390.06027	2.9
417.15552	0.6
431.20731	0.6
449.22305	0.7
457.30270	0.6
468.11316	0.8
535.18274	100.0
535.25470	8.8
536.09961	2.6
536.18610	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	535.1823
Annotation	Phellavin
Peak:m/z	Relative Intensity
50.84391	0.2
53.22857	0.2
55.01876	0.2
59.01383	7.4
69.13043	1.6
70.94357	0.3
71.01388	2.5
72.99308	0.4
73.02964	1.6
77.13805	0.3
80.72227	0.2
83.01398	0.4
85.02948	1.4
89.02448	1.2
93.03465	32.8
94.03800	0.6
95.01400	0.4
99.00902	2.1
101.02453	1.6
113.02454	1.6
119.03536	0.4
125.02512	0.5
133.25905	0.2
137.02457	100.0
137.84518	0.2
138.02795	2.2
159.02924	0.3
161.04576	0.8
167.03496	0.6
280.04877	0.2
289.16705	0.3
415.15915	0.3
433.20657	0.5
474.56104	0.2
475.31366	0.2
479.50876	0.3
493.23212	1.3
516.27905	0.2
535.18256	2.8
535.31097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1978
Annotation	Gomisin G
Peak:m/z	Relative Intensity
55.55856	0.9
57.01896	0.9
59.01366	2.1
61.98839	10.8
70.55167	1.1
70.55508	1.5
73.02921	1.2
89.03975	1.2
95.86546	1.0
105.03471	1.6
117.03490	5.1
119.05015	3.6
121.02924	2.1
132.02194	4.9
133.02977	12.1
134.03754	62.7
135.04552	17.2
137.02420	3.9
139.04008	3.2
145.02968	1.3
147.04526	2.9
148.05324	1.9
149.06082	5.0
151.03995	1.9
152.99571	1.1
160.01674	13.1
161.02435	8.3
171.06673	1.5
174.96767	1.0
175.04022	8.0
175.07613	1.3
177.05606	1.3
178.02731	4.2
179.03519	13.8
193.05077	24.6
207.06656	2.6
286.03088	1.1
308.06339	0.9
322.34937	1.1
326.11264	1.4
330.02774	1.1
331.19131	7.4
520.17517	3.3
535.19714	100.0
536.20166	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	535.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04513	0.6
59.01326	15.8
61.98789	1.1
63.21379	0.5
63.93812	0.6
66.46867	0.5
69.08377	3.8
71.01380	4.4
73.02952	15.5
73.03336	0.7
78.86644	0.5
78.95869	0.7
83.01393	3.9
83.42154	0.5
85.02905	1.2
89.02419	1.1
96.77723	0.6
98.22631	1.1
101.02451	12.0
107.63766	0.5
108.21301	0.5
113.02397	2.1
119.03439	1.0
119.05029	0.7
122.02425	0.8
125.02378	0.9
131.03462	1.0
133.02884	0.8
134.03773	4.9
135.04483	1.4
143.03441	1.2
149.04517	2.4
152.99567	1.3
153.12506	0.6
160.01648	1.0
161.02368	0.7
161.04591	3.5
175.04005	0.7
179.03519	1.0
190.28993	0.6
193.04988	2.2
201.12796	0.8
221.06665	1.6
269.19119	3.3
272.14105	1.7
287.20126	3.6
301.18134	9.6
313.18094	15.8
329.17603	1.1
331.19168	100.0
332.19443	5.1
373.20248	4.5
373.35303	0.7
475.23453	0.9
523.39612	0.6
535.19702	2.7
535.25861	28.0
536.25781	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	535.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31479	0.2
54.84767	0.3
59.01381	1.9
63.85024	0.2
64.34764	0.2
68.47451	0.3
83.05060	0.2
93.03476	0.3
97.02999	0.3
116.96361	0.3
119.05055	0.8
125.23391	0.2
126.40010	0.3
177.09119	0.3
180.77074	0.2
201.09224	0.3
213.00728	0.3
214.09998	6.1
215.10782	12.5
216.11118	0.5
217.12321	5.6
227.10886	0.8
229.12370	0.5
252.88071	0.3
285.18597	4.0
297.15021	0.5
298.15674	0.4
312.17291	0.4
313.18103	100.0
314.18448	5.1
330.18484	0.9
331.19162	65.1
332.19559	3.6
333.15881	0.3
389.15237	0.8
390.06436	0.3
416.04306	0.7
475.23276	0.4
518.97668	0.3
535.25531	33.9
536.10059	0.3
536.26074	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	535.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03456	3.3
58.00589	1.8
59.01389	1.4
61.98828	0.7
65.10769	0.6
68.60574	0.6
69.03481	0.9
70.63535	0.5
70.63885	0.6
71.01412	1.2
71.05024	1.9
73.02954	2.0
78.95889	0.7
80.02672	0.7
83.05057	4.3
85.02956	6.5
85.06599	53.1
87.04527	53.4
95.05034	2.4
96.05131	0.6
97.06607	1.5
101.06081	1.7
107.05037	1.2
109.06609	3.3
111.04532	6.2
113.06097	16.2
115.04026	100.0
115.07638	1.4
116.04365	1.8
121.06612	1.2
124.01650	1.2
127.07655	1.5
129.05620	4.4
135.08182	4.7
139.04030	38.7
141.02663	0.8
143.07169	4.2
147.08148	1.0
152.99623	0.7
157.05092	3.1
171.06648	27.8
173.09735	0.7
185.13330	1.1
187.11313	1.1
189.07710	28.2
189.12875	3.9
190.08095	0.7
191.14455	1.5
199.14876	1.5
201.12881	2.7
203.14478	3.2
205.12349	0.6
215.14392	0.7
217.15959	5.5
219.13882	7.0
221.15474	1.2
227.14333	0.8
243.13882	2.2
245.15448	3.7
255.17575	2.8
259.17374	0.6
261.14981	1.3
261.18729	1.0
273.18539	3.4
289.14496	38.2
290.14911	1.9
291.19678	9.8
299.16681	1.4
301.17999	0.8
317.17435	0.9
335.18729	2.0
345.17072	15.8
363.18127	9.0
364.18030	0.8
448.75220	0.7
461.21826	9.7
535.25549	22.9
536.25922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2549
Annotation	Calcicolin E
Peak:m/z	Relative Intensity
59.01382	8.7
66.34444	0.4
69.77776	1.7
71.01398	0.9
72.16335	0.5
85.02962	1.0
89.23757	0.5
96.96014	1.1
97.02953	2.6
119.05042	1.1
135.04550	0.6
215.10782	0.6
215.79202	0.6
237.40659	0.5
271.13794	0.5
272.14200	3.0
285.15143	0.6
287.16556	4.1
299.16589	3.9
301.18121	21.6
302.18433	1.3
312.17383	0.5
313.18143	11.9
313.21741	0.7
315.16156	1.0
329.17603	6.3
330.18311	5.4
331.19168	100.0
332.19513	3.9
346.17474	0.5
355.19324	0.6
356.67358	0.5
373.19797	0.6
387.23157	0.5
397.20230	1.1
441.35703	0.5
443.49088	0.5
475.23398	15.7
476.23691	1.2
493.24588	5.5
535.25543	35.0
536.25641	2.4
549.72559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.98830	0.3
70.12005	0.3
71.01380	0.3
83.30273	0.1
85.02946	0.1
98.21926	0.2
119.05054	0.2
135.04546	0.2
149.06056	0.1
162.06847	0.2
174.06859	0.2
175.07634	0.2
177.09215	0.1
184.78209	0.1
189.09230	0.2
199.19409	0.1
200.72099	0.1
201.09245	0.2
202.10034	0.4
203.10767	1.0
215.10808	0.5
216.11613	0.1
217.12419	0.2
233.11739	0.2
243.13852	0.3
245.15498	0.4
257.11917	0.3
257.15494	0.3
257.19141	0.3
271.13354	0.3
272.14191	3.9
273.14633	0.3
273.18567	0.4
279.01105	0.1
283.17075	0.2
285.15024	0.9
286.15695	0.3
287.16544	1.9
297.14990	0.2
299.16586	0.8
300.17422	0.1
301.18103	23.6
302.18393	1.4
313.18115	11.8
314.18457	0.6
315.16010	0.5
329.17596	2.7
330.18335	1.1
331.19159	100.0
332.19485	5.4
332.23584	0.2
464.06192	0.1
475.23209	0.3
521.03918	0.1
535.25549	27.9
536.25995	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96169	0.8
59.01376	1.7
61.98832	1.7
69.42401	3.0
74.38036	0.6
74.43314	0.7
77.22021	0.8
78.95889	0.9
98.21874	1.4
117.03419	1.9
119.05057	2.2
134.03758	3.2
178.02657	1.0
193.05069	4.6
237.46326	0.7
271.17010	1.2
285.18515	1.1
287.20093	4.4
294.39917	0.7
331.19162	100.0
332.19550	5.7
341.13977	1.6
475.23495	1.1
493.24188	0.8
535.06927	2.4
535.25568	24.5
536.25732	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
70.34954	18.5
78.95885	12.6
87.04535	14.3
94.21144	7.9
103.01495	64.7
128.86212	9.2
140.30237	10.5
144.07446	8.7
152.99568	14.0
153.85051	9.1
162.89377	15.2
331.04492	10.5
499.55353	9.5
535.23096	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.71915	2.9
61.64798	3.2
70.79517	3.6
71.42896	4.0
72.90038	2.8
76.97707	2.8
96.96020	4.9
103.01508	71.9
153.09395	3.3
211.45950	3.4
238.26860	3.7
265.14798	4.4
268.53616	3.0
279.22842	3.3
280.23669	8.1
450.29343	4.1
476.60529	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	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35171	2.4
59.01384	33.1
59.22055	2.5
68.87511	2.7
71.01395	13.5
72.48299	2.3
73.02945	6.2
83.01392	3.0
85.02968	6.7
88.54569	2.6
90.12886	2.7
95.01436	3.3
95.38370	2.6
98.22646	5.0
101.02439	6.7
113.02439	6.5
114.67594	2.6
125.02424	4.4
126.73867	2.7
133.02959	3.7
179.71951	2.5
183.34256	2.7
223.34644	3.0
269.21198	5.6
287.22302	36.1
310.85733	3.0
373.12936	4.2
431.26413	15.4
449.27640	36.8
475.18427	2.9
491.28613	100.0
492.28888	7.5
535.18433	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	535.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	56.2
65.70495	2.5
69.75156	2.1
71.01385	20.5
73.02937	7.2
75.55853	2.3
75.84533	2.6
83.01403	6.0
85.02952	7.1
87.00896	3.0
89.02474	3.4
91.77020	2.5
98.22704	4.4
101.02452	9.9
113.02480	9.9
125.02431	4.2
270.39368	2.6
287.22269	21.9
331.19107	9.0
431.26505	20.6
449.27643	38.1
491.28717	100.0
492.29044	4.1
493.23141	4.0
535.18164	6.0
535.30878	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	535.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83120	3.2
57.03473	4.8
59.01387	73.6
61.98831	15.0
65.92765	4.9
69.91409	12.7
71.01398	30.7
73.02953	14.2
83.01407	8.2
85.02940	13.3
87.00903	6.2
89.02469	7.8
93.03495	5.8
95.01358	5.4
99.00848	8.6
101.02447	13.4
109.02972	4.0
113.02471	8.6
119.05053	12.0
125.02473	6.7
129.05762	4.9
133.02960	5.6
135.04555	10.7
152.07079	4.9
153.01965	4.8
187.07668	9.0
257.08264	8.2
283.78687	4.4
287.22287	38.5
331.15546	5.8
331.19205	59.2
331.24969	5.4
431.26514	16.8
449.27710	31.3
475.23242	6.5
475.29199	8.7
491.07077	7.2
491.28665	100.0
492.29330	7.4
535.18384	5.1
535.32343	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	535.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03657	0.2
54.62599	0.2
56.98845	0.2
59.01387	3.0
66.95930	1.7
69.39186	0.2
71.01413	1.5
73.02950	0.8
80.91703	1.4
82.95426	100.0
83.02502	0.7
85.02956	0.5
89.02454	1.2
101.02460	1.0
113.02464	0.6
116.64304	0.2
119.03547	0.8
134.24341	0.2
135.04573	0.5
144.05008	0.2
162.03270	3.1
167.03555	0.3
174.99123	0.3
175.04010	0.2
177.05576	3.3
203.23375	0.2
230.70775	0.2
231.09868	0.3
329.13940	0.4
437.40561	0.2
535.27295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.0993
Annotation	(+)-Dynemicin A
Peak:m/z	Relative Intensity
51.53825	1.1
52.16788	1.2
55.06016	1.1
61.98815	1.4
65.99849	3.0
69.11702	5.2
69.12106	2.0
77.37299	1.0
78.56633	1.0
88.42014	1.0
91.46947	1.0
92.99828	1.3
94.05802	1.2
98.12547	1.1
107.05043	1.1
107.95914	1.0
133.01593	1.2
134.02769	1.3
134.03752	9.0
135.04538	22.3
146.02480	1.5
157.01683	2.8
158.02478	1.8
161.02405	1.0
169.01622	1.5
170.02528	1.6
171.04517	2.7
175.99837	1.5
185.01160	4.1
186.01947	2.8
189.00543	1.6
190.86095	1.1
198.01976	2.6
201.00479	1.4
202.01408	2.5
213.00688	20.5
214.01387	2.1
223.99962	1.1
226.01477	6.1
230.01108	1.2
234.05801	1.1
241.00197	9.0
242.00911	3.0
255.01517	1.0
260.07043	2.7
264.06525	1.4
268.05865	1.5
268.99673	6.5
270.00479	17.5
280.06046	3.1
295.98416	7.9
296.09192	4.9
296.99060	2.8
304.06125	4.2
306.07455	1.4
330.03830	2.6
332.05588	7.1
335.07950	2.5
346.07202	2.8
358.03351	4.4
358.07117	2.6
360.04922	2.9
364.04425	2.0
373.06058	1.5
374.06711	36.6
375.07159	2.3
390.06473	1.6
400.04645	26.1
401.05344	6.0
402.06036	4.8
414.02353	3.6
432.03226	1.3
490.09021	1.6
492.11075	3.7
518.08832	14.2
519.10217	1.3
536.09747	100.0
537.10052	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	536.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87045	0.9
55.84481	0.9
65.99833	1.6
70.28440	1.6
70.28764	1.7
73.55395	1.0
82.55034	1.0
96.61729	1.2
98.22001	1.1
108.02222	1.2
112.20023	1.0
135.04521	3.3
145.02942	1.9
146.02422	1.1
157.01665	2.0
161.02406	1.4
174.01888	1.1
185.01173	4.1
186.01952	2.6
198.01938	2.5
202.01524	1.5
204.49301	0.9
211.99933	1.7
213.00645	9.2
214.01375	1.8
223.99861	1.7
226.01398	3.0
241.00159	6.2
242.00946	1.9
255.98828	3.1
256.17807	1.4
270.00479	22.8
280.06100	2.6
294.00195	1.2
295.98413	13.2
304.06311	1.1
304.96530	1.1
306.07788	1.5
314.05002	1.5
332.05603	1.6
372.05151	2.5
374.06744	17.3
396.22882	1.4
400.04608	12.2
401.05164	1.7
402.06180	1.9
414.02130	8.0
416.04160	2.2
426.05859	1.8
432.03568	1.6
474.09662	1.2
492.10892	5.4
518.08850	25.9
519.09149	1.3
536.09869	100.0
537.10059	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	536.0997
Annotation	(+)-Dynemicin A
Peak:m/z	Relative Intensity
65.00324	3.6
65.00653	1.2
65.99854	9.1
71.41630	1.3
78.51897	1.3
107.22068	1.4
109.02960	1.3
113.18711	1.3
114.03482	1.3
114.79472	1.2
120.99349	1.2
121.01765	1.1
121.02934	1.8
121.14066	1.4
129.02271	1.4
133.01767	1.5
134.03778	9.3
135.04547	26.3
146.02467	1.7
152.77832	1.6
157.01674	3.6
158.02499	1.4
159.97897	1.4
160.51988	1.3
170.02499	2.4
171.04533	2.9
173.01169	2.2
173.02483	2.1
173.45880	1.3
174.01981	1.8
175.99887	5.5
185.01176	2.9
186.02003	3.0
189.00659	1.6
198.01985	3.1
199.99803	2.0
201.01949	2.3
202.01390	2.6
203.99358	3.4
211.99875	2.8
213.00694	20.6
214.01347	1.7
215.99609	1.3
223.99927	2.5
226.01465	7.7
241.00182	8.6
242.01009	2.1
255.98840	1.4
258.05585	1.6
260.07007	1.7
262.04999	1.4
264.06570	1.8
268.06183	1.6
268.99600	5.6
270.00464	34.9
270.07739	2.3
271.00906	1.8
280.06287	9.4
284.96695	1.8
293.04510	1.8
295.98398	14.9
296.98956	2.9
302.04691	1.4
304.06168	4.6
308.05707	3.0
328.05753	1.5
329.28918	1.6
330.04071	2.0
330.07837	2.3
332.05682	6.1
346.07202	2.9
358.07559	1.6
360.05228	4.0
370.03537	1.8
374.06741	42.1
375.07080	2.5
377.05331	4.8
388.04578	3.5
389.02994	1.7
390.03046	1.9
400.04608	25.2
401.05231	4.8
402.05954	6.6
414.02127	9.3
432.03543	5.5
460.06384	1.9
474.09995	3.2
492.10962	16.0
508.10315	1.5
518.08801	18.6
536.09894	100.0
537.09308	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	536.0993
Annotation	(+)-Dynemicin A
Peak:m/z	Relative Intensity
50.87045	0.9
55.84481	0.9
65.99833	1.6
70.28440	1.6
70.28764	1.7
73.55395	1.0
82.55034	1.0
96.61729	1.2
98.22001	1.1
108.02222	1.2
112.20023	1.0
135.04521	3.3
145.02942	1.9
146.02422	1.1
157.01665	2.0
161.02406	1.4
174.01888	1.1
185.01173	4.1
186.01952	2.6
198.01938	2.5
202.01524	1.5
204.49301	0.9
211.99933	1.7
213.00645	9.2
214.01375	1.8
223.99861	1.7
226.01398	3.0
241.00159	6.2
242.00946	1.9
255.98828	3.1
256.17807	1.4
270.00479	22.8
280.06100	2.6
294.00195	1.2
295.98413	13.2
304.06311	1.1
304.96530	1.1
306.07788	1.5
314.05002	1.5
332.05603	1.6
372.05151	2.5
374.06744	17.3
396.22882	1.4
400.04608	12.2
401.05164	1.7
402.06180	1.9
414.02130	8.0
416.04160	2.2
426.05859	1.8
432.03568	1.6
474.09662	1.2
492.10892	5.4
518.08850	25.9
519.09149	1.3
536.09869	100.0
537.10059	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	536.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01904	1.6
65.00323	6.2
65.99844	13.1
68.99824	3.3
69.28745	10.3
82.02987	2.6
89.30363	1.5
94.02993	2.7
95.01389	3.8
101.04005	2.1
108.00909	2.0
117.03439	2.5
118.03003	3.3
120.00906	4.4
120.04508	2.0
122.02527	2.6
124.04044	8.0
131.03821	1.8
131.05092	3.0
134.02460	3.8
136.00438	3.2
136.04091	2.0
141.07115	3.5
143.05049	2.4
145.06622	4.2
146.02507	5.8
147.03276	3.5
148.03949	2.1
148.58394	1.6
149.01190	3.6
159.03171	1.8
160.04042	2.9
162.01971	7.6
163.02762	5.9
163.98654	1.7
163.99893	3.6
164.03525	9.7
167.05019	4.4
169.06577	3.4
171.04547	12.6
172.04022	2.5
173.06081	7.3
174.01903	2.1
175.02763	10.4
175.99947	11.9
176.03398	1.7
179.07425	1.9
185.06146	8.9
186.01979	2.5
187.02573	2.0
189.00616	2.7
189.05557	3.0
190.01372	4.6
192.03091	4.5
199.04097	3.5
199.07712	2.8
200.03432	2.3
201.05591	5.7
202.01526	3.2
203.02304	4.8
209.06136	1.8
211.04095	3.5
211.07671	2.8
213.05592	7.5
216.02946	2.4
218.04587	3.4
224.07336	2.4
225.05533	1.9
226.08765	4.4
230.00861	1.8
231.01729	8.9
236.06982	2.2
237.05574	4.4
239.03511	29.3
240.04187	3.8
241.05110	9.9
242.08163	9.0
244.02512	4.7
250.08722	2.7
252.06642	4.7
253.05147	3.8
254.08183	3.7
255.06555	11.5
265.05005	3.4
266.08243	3.2
268.06216	6.6
268.09784	14.6
269.04419	3.3
269.07050	2.1
270.07727	15.0
272.06491	3.7
275.06619	2.0
278.08102	3.9
280.06177	20.4
290.08243	2.1
294.07712	12.0
296.09293	100.0
297.09622	3.8
301.02197	2.5
304.06213	1.8
306.07611	2.5
322.07175	2.5
332.09375	2.6
334.07181	7.0
335.07996	81.8
336.08701	22.9
346.07150	4.9
348.08835	7.9
360.08691	4.1
388.08282	3.5
405.08615	2.3
464.15042	12.1
492.14917	3.0
508.14490	9.3
518.12292	6.4
536.13885	43.4
537.14624	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	536.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69012	1.5
53.89680	1.4
57.03454	2.2
59.01395	10.8
61.98835	4.0
63.30654	1.6
71.01392	9.3
71.41924	2.1
72.99329	1.9
75.00890	6.2
75.12004	1.4
85.02957	6.6
87.00887	3.1
89.02455	2.9
95.35486	1.6
103.00443	1.7
108.02188	3.6
113.02457	4.6
120.01266	100.0
123.04525	1.6
152.01163	5.8
167.03548	7.9
168.03865	3.9
175.03940	2.0
177.01958	4.9
177.89233	1.5
186.07040	1.5
189.77322	1.5
192.04305	3.7
192.99667	1.5
193.03543	5.1
194.77065	1.4
205.07425	3.1
207.06628	3.3
220.09798	3.3
241.05603	3.8
288.05969	2.1
335.13147	1.8
342.11020	3.3
374.93802	1.8
375.14609	29.6
492.12442	2.5
536.18268	14.6
537.20129	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	536.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01082	1.7
59.01387	42.2
61.98837	100.0
64.29906	1.0
71.01381	3.4
89.02457	2.7
101.02422	0.9
105.00007	0.8
109.03004	1.2
111.14129	0.7
113.02434	1.2
119.03529	1.0
121.02914	0.8
125.02469	2.8
135.04587	1.2
150.05576	1.3
150.47896	0.7
152.01123	1.9
161.02431	2.9
189.12845	1.5
205.05138	0.8
207.13959	2.5
259.06155	1.5
260.06558	1.9
269.04459	1.1
270.04874	2.3
338.10434	0.9
429.21091	2.2
492.12613	2.5
536.14325	1.5
537.12836	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	536.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48513	0.5
59.01385	31.0
61.45892	0.5
61.86310	0.5
61.98836	100.0
67.11702	0.6
71.01388	2.7
71.43659	0.7
73.02954	1.1
83.01414	0.6
85.02971	1.0
89.02470	0.5
92.18722	0.6
99.00917	1.0
101.02477	1.4
113.02476	1.0
114.70927	0.5
119.05065	1.0
135.04555	1.2
160.69531	0.5
161.04570	1.0
208.66592	0.6
358.10349	0.5
387.20395	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89955	18.8
56.00037	21.5
59.01387	23.4
66.66896	17.9
67.91846	17.6
69.17123	41.9
69.17516	100.0
70.31837	16.0
78.95936	21.0
119.94917	17.8
121.11746	18.7
152.99654	22.3
259.12643	19.0
355.48184	19.8
410.52646	19.5
536.33527	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	536.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99202	6.2
58.98717	7.9
59.01383	62.2
61.98838	57.7
66.54887	7.8
69.94569	14.3
78.95920	12.4
81.03463	30.2
85.02905	7.0
87.04513	100.0
99.04516	52.0
109.02985	7.2
110.06020	8.3
119.05027	15.7
135.04530	28.6
143.56570	7.9
200.38506	7.1
226.52019	7.3
227.50905	7.2
313.17896	10.2
331.18979	12.0
332.19577	16.4
398.20438	7.8
399.45062	8.1
407.20731	21.3
449.21811	11.6
493.24310	48.2
504.16656	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	536.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43788	15.7
56.66099	13.3
58.20944	18.6
59.01387	77.4
59.52050	13.9
61.98834	95.7
69.23293	50.1
69.23698	26.8
81.03458	32.1
82.91866	18.1
87.04523	100.0
98.22785	20.8
99.04523	64.5
101.10119	18.5
119.05025	32.4
119.78161	14.6
160.17845	14.3
162.83890	39.5
331.18744	16.2
332.19260	33.4
334.73959	16.0
407.20557	29.0
453.64117	15.3
493.24435	49.4
511.63644	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0831
Annotation	Cassiamin B
Peak:m/z	Relative Intensity
65.00336	12.4
68.99793	1.3
69.44687	1.9
69.45079	2.9
73.00851	2.1
73.94974	1.1
89.00333	8.7
92.99806	2.9
115.01965	1.3
116.99834	5.2
120.99332	8.5
135.00920	1.6
136.98822	14.6
140.99849	1.6
144.99329	8.0
148.98824	5.9
153.87387	1.2
160.98804	17.6
168.99380	2.2
171.04504	5.9
172.98828	2.5
177.07153	2.1
178.03439	1.2
181.06587	2.0
184.98773	5.8
188.98311	24.5
189.07129	2.2
193.06631	5.0
194.16072	1.2
195.04498	1.7
197.06142	2.2
205.06555	2.5
209.05968	1.9
212.98325	3.8
216.97774	8.4
217.06650	2.0
221.06076	8.1
225.05632	5.3
228.97783	10.4
229.98483	1.5
233.06046	1.7
234.98816	2.4
235.04131	1.6
237.05573	5.1
240.97810	1.4
241.05095	10.2
242.99352	1.4
245.01100	2.4
245.06073	3.6
249.05579	15.6
256.97260	2.0
261.05597	3.3
265.05063	16.8
273.05676	4.0
275.03635	1.3
277.05093	4.2
279.03033	4.1
289.05045	4.3
293.04611	17.1
293.07672	2.2
301.05200	1.7
309.04138	3.5
317.04446	6.9
321.04074	18.6
333.04065	4.4
339.05212	16.1
345.04047	4.7
361.03677	1.8
365.02966	6.7
381.11578	2.1
383.09106	1.9
389.03192	5.6
391.04501	2.0
421.10681	3.1
433.02106	26.8
434.02692	1.8
449.10144	2.8
465.09891	2.9
493.09540	9.6
537.08325	100.0
538.08954	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	537.0833
Annotation	Cassiamin B
Peak:m/z	Relative Intensity
51.38357	1.0
52.46231	1.0
54.13583	1.1
58.83753	1.0
65.00328	13.0
68.99828	1.2
70.28397	1.8
73.00820	2.5
77.00321	1.1
79.24980	1.1
89.00342	9.3
92.99835	4.4
101.00358	1.5
104.82972	1.1
104.99837	1.1
113.00359	1.3
116.99805	4.5
118.65927	1.1
119.01429	1.2
120.99341	9.2
136.50621	1.1
136.98830	17.1
144.99316	8.3
148.98825	6.5
151.05524	1.9
160.98843	17.9
165.07129	2.0
168.99321	2.7
169.06534	1.9
171.04494	5.7
173.06136	1.3
177.07111	2.8
181.06580	2.5
184.98799	4.4
188.98314	20.8
193.06561	4.6
195.04555	1.5
197.06078	2.3
201.07321	1.2
205.06657	2.4
209.06146	1.7
212.98341	3.3
215.00076	1.1
216.97794	10.5
217.06535	3.4
221.06123	9.7
223.04137	1.9
225.05605	5.6
228.97789	8.5
229.98618	1.9
233.06119	3.4
234.98761	1.7
237.05566	5.3
240.97765	1.9
241.05133	9.8
245.06096	3.0
249.05568	18.4
256.97272	1.9
261.05618	2.7
265.05115	15.1
273.02908	1.1
273.05652	4.6
277.04984	5.4
279.03012	3.2
289.05093	5.0
293.04633	16.5
301.04913	1.7
309.04202	3.4
311.05664	1.5
317.04587	7.3
321.04068	20.8
332.19510	2.2
333.04041	5.3
339.05115	16.0
345.04010	5.0
361.03543	2.1
365.03064	6.9
381.11209	2.1
389.03009	5.5
393.11722	1.3
421.10907	2.7
433.02032	30.4
434.02399	2.1
465.10229	1.8
493.09332	9.1
494.09067	1.2
509.08597	2.3
537.08319	100.0
538.08600	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	537.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20810	0.7
57.89463	0.7
65.00331	1.4
68.99807	1.0
69.88080	1.6
69.88451	1.2
79.91221	0.8
93.03466	0.9
95.01403	1.2
117.03473	2.2
119.05036	1.6
125.21800	0.7
136.98802	0.9
138.01898	0.8
145.02975	6.7
148.98795	0.8
151.00467	1.2
155.05107	0.8
160.98781	0.8
161.02443	2.1
163.00410	1.5
171.04562	3.7
173.02422	2.3
173.06168	1.0
177.01952	1.1
187.00386	1.2
188.98187	0.8
189.01984	2.0
193.06706	0.9
199.04008	2.7
201.01952	2.1
214.99850	1.1
217.01431	14.8
219.08073	2.2
221.05997	1.5
225.05463	1.4
233.06030	2.2
235.07738	1.3
239.03448	1.9
241.05075	1.0
245.00925	15.3
245.06172	1.8
247.07576	3.6
253.04984	1.3
261.05560	2.6
263.06885	1.1
265.04984	1.4
267.02930	1.2
269.04535	3.4
270.07590	1.4
273.05664	1.7
275.07153	1.0
277.05026	2.2
289.05057	2.5
291.06668	5.3
293.04507	2.8
295.06006	1.1
305.04733	0.9
307.05991	2.0
309.04056	1.8
317.04407	3.0
319.06018	2.4
321.03888	2.6
329.04385	1.1
335.05502	6.6
345.04001	6.7
347.05667	4.4
363.05179	6.0
373.03589	16.9
373.08142	0.6
374.04095	1.3
375.20932	1.1
388.12036	1.1
391.04575	29.5
431.12500	3.8
433.02115	1.1
449.09225	1.6
477.08289	1.7
491.07486	1.0
519.06891	1.1
537.08270	100.0
538.08313	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	537.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.98830	1.1
70.70324	1.3
71.91483	0.7
92.67556	0.6
93.03459	2.7
117.03483	15.3
119.05048	5.8
120.36753	0.6
145.02977	0.6
201.44455	0.6
219.04436	0.6
240.81549	0.5
261.05487	1.0
267.13104	0.6
276.04404	0.9
287.03625	0.9
303.02823	1.0
319.06171	0.8
329.04645	1.3
330.05341	0.7
331.02509	1.8
331.19070	0.8
332.19550	1.9
347.01758	0.9
357.04123	2.8
360.02658	0.7
361.03906	0.7
363.05093	3.1
377.08084	0.7
385.03351	0.8
391.04523	3.9
405.07648	1.2
417.06638	2.0
419.04208	2.1
421.07135	1.3
433.07236	2.2
444.05045	1.2
449.06079	1.3
461.06598	1.8
461.71667	0.7
477.06134	1.3
478.07111	2.1
493.09140	1.0
505.05588	3.1
509.08835	0.9
519.06970	0.7
520.08124	0.7
537.08325	100.0
538.08679	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	537.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
57.63597	0.7
59.01389	19.3
60.99308	1.8
63.60996	0.7
69.03472	0.9
70.56149	1.0
71.01017	1.4
71.01387	16.6
72.99317	1.5
73.02949	3.4
75.00881	0.8
81.03467	1.0
83.01398	3.3
85.02957	6.4
87.00881	2.6
88.98816	7.9
89.02463	12.6
93.03471	16.3
95.01387	2.0
97.02962	3.2
99.00888	2.8
101.02451	6.1
108.02184	51.1
109.02973	16.2
113.02465	8.0
119.03522	2.1
121.02946	0.9
123.00881	1.4
125.02459	7.7
128.03542	2.2
131.03514	4.4
133.03036	0.9
137.02458	28.0
143.03491	2.3
149.04526	3.7
151.04018	2.1
152.01172	100.0
153.01891	3.3
161.04518	1.6
163.04066	2.3
179.05731	0.9
191.03564	1.7
205.02655	0.7
241.07213	1.7
245.06615	0.8
267.05286	0.8
269.96912	0.6
271.43231	0.8
282.68918	0.7
285.04034	6.1
320.16983	0.8
357.13809	0.9
393.17719	1.1
399.04480	1.5
399.09344	21.7
405.17682	1.7
417.10385	20.8
418.10443	1.2
447.09216	7.0
475.22180	0.9
537.12537	86.5
537.21588	4.0
538.12976	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	537.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38500	0.5
57.41954	0.5
59.01384	4.1
60.52835	0.5
61.98844	1.2
69.38466	1.7
71.01379	2.7
73.02953	1.0
73.85632	0.4
78.95914	1.1
85.02960	1.1
89.02466	2.4
96.96007	4.3
96.96964	0.7
101.02430	1.5
103.97626	0.5
113.02477	1.3
116.92786	0.5
119.03526	1.3
119.04989	0.6
121.02957	1.0
122.03754	0.5
123.04492	0.6
124.01635	0.5
133.02950	2.3
134.03738	1.6
135.04576	2.4
136.01680	0.9
137.02452	1.5
143.03474	0.6
145.02960	2.3
146.03731	0.5
147.04503	0.9
149.02461	2.2
150.03288	2.5
151.00362	0.9
151.04019	2.2
152.04839	0.7
158.03732	0.8
159.04512	0.8
160.01680	0.7
160.05301	0.8
161.02444	8.0
161.04558	0.8
162.03195	1.7
163.04018	4.8
164.04733	1.0
165.05614	2.4
173.02466	6.4
174.03255	4.1
174.04601	0.6
175.04065	1.4
175.07664	0.8
177.05649	0.6
179.03485	1.4
180.04349	0.6
186.03334	1.1
187.03957	1.4
189.01917	4.2
190.02731	33.6
191.03511	100.0
192.03882	2.5
193.04993	0.9
195.06651	1.4
198.03215	1.0
203.03435	0.8
206.08200	0.7
211.04048	0.9
213.01997	1.2
214.02739	2.2
215.03497	9.6
227.03612	0.8
228.04298	0.7
231.02983	1.2
233.04471	3.2
239.03529	0.5
243.03180	0.6
255.02933	0.6
256.03690	1.4
257.04535	2.7
258.01630	0.7
259.02319	0.7
281.06714	0.6
283.02704	0.5
300.02887	0.9
301.03638	3.7
312.10309	0.7
323.88348	0.6
327.12451	3.6
330.34308	0.5
333.05850	0.6
333.09717	0.7
335.07791	1.7
345.13422	3.0
375.14459	4.1
395.09845	29.6
396.10193	1.6
419.09772	4.0
461.11029	1.1
463.08755	0.8
501.16391	1.4
505.09930	8.4
519.15198	2.1
537.14716	0.7
537.22577	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	537.198
Annotation	(+)-Cycloolivil 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01368	1.1
67.50888	0.4
80.19267	0.4
97.47885	0.4
151.03893	0.4
168.35339	0.4
204.04291	0.5
219.06601	0.7
248.07053	0.5
249.07623	0.5
255.10333	0.5
257.08170	1.0
262.40891	0.4
263.09283	1.0
271.09854	1.0
272.10498	0.8
287.12860	2.3
301.10925	0.6
313.14478	1.5
315.08786	0.5
315.12253	0.8
315.19684	0.9
330.11096	0.9
331.11795	3.0
331.15610	3.3
347.15234	0.4
357.09744	0.6
357.13477	2.7
359.11243	0.7
373.12875	0.8
374.13705	1.4
375.14502	100.0
376.14844	5.2
414.97177	0.5
417.15576	0.5
433.87567	0.5
537.19830	11.5
537.26892	0.8
538.20050	0.5
544.70117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	epi-Fibrauretinoside A
Peak:m/z	Relative Intensity
52.94781	0.3
57.45174	0.3
59.01413	0.5
60.05699	0.3
61.44162	0.3
61.98843	0.6
69.36528	1.5
69.50021	0.3
71.01405	0.3
71.56319	0.4
79.05579	0.4
90.17348	0.3
96.09828	0.3
98.22585	0.6
101.08333	0.3
106.90617	0.3
121.84757	0.3
123.04578	1.2
133.08850	0.3
143.09688	0.3
145.76825	0.3
158.70494	0.3
159.93291	0.3
163.07692	0.4
189.05646	0.6
207.10458	0.7
211.07596	0.4
225.09384	0.4
226.10072	1.9
227.10837	0.5
232.07481	0.6
235.07622	0.4
239.07182	1.2
241.12279	1.7
243.10400	0.4
251.10797	0.4
252.07869	0.4
253.08658	2.3
254.09529	4.9
263.09390	0.5
267.14075	0.6
269.11948	2.6
270.09210	0.4
270.12411	0.4
271.09830	0.5
280.11105	0.8
283.09802	1.2
285.15082	0.9
287.13010	0.4
297.07971	0.6
297.11469	1.4
298.08536	2.1
298.12039	9.8
299.05646	0.6
313.10846	1.8
313.14511	1.6
314.11649	0.4
315.12408	0.6
329.14035	1.1
331.11911	2.0
331.15607	0.9
341.10272	0.5
342.11102	11.8
343.11343	0.5
357.13321	2.2
359.11496	0.6
374.13675	2.4
375.14517	100.0
376.14893	4.9
528.54419	0.3
537.19836	29.8
538.19781	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03440	1.1
58.00605	0.9
59.01384	74.7
61.98819	3.0
71.01385	45.3
72.78503	0.9
72.99297	1.7
73.02952	2.3
79.95739	11.2
81.95306	1.1
83.01398	1.9
85.02953	8.0
87.00877	2.6
87.73576	0.7
89.02451	62.9
89.95016	0.8
90.65997	0.7
93.03380	0.8
95.01389	3.1
96.36145	0.9
96.96014	1.7
101.02444	23.9
108.02171	3.8
109.02945	3.6
111.00876	1.6
113.02451	18.7
119.03510	23.1
123.00921	3.8
123.04513	1.5
124.01693	1.3
125.02392	1.0
131.03502	1.7
133.02960	2.1
135.04539	2.2
136.01668	72.9
137.02122	1.2
143.03511	3.9
145.02890	1.1
146.03719	2.6
147.04501	1.0
149.02472	0.9
149.04623	1.6
150.03210	1.4
151.04016	100.0
152.01114	1.1
152.04352	1.6
153.05478	0.8
159.04500	2.6
160.05283	8.9
161.02499	5.5
161.04561	5.1
161.05862	1.4
163.03963	1.0
165.01945	1.1
165.05576	2.0
167.03453	1.6
171.04669	0.8
172.05386	1.4
175.04015	1.7
175.07649	12.1
176.08060	1.2
179.03397	0.8
179.05643	13.1
180.04279	0.9
189.05464	1.1
189.48820	2.7
190.06281	1.2
191.07118	1.5
195.06563	1.1
207.08136	1.0
212.62448	0.9
221.08115	1.3
230.58936	0.7
233.06017	0.9
235.07564	1.5
236.97792	4.6
237.47945	2.6
237.97681	2.6
239.50197	0.9
245.06052	0.9
247.08992	0.8
251.07137	2.2
261.05621	0.8
262.06262	1.7
263.07111	5.7
264.07666	1.1
267.06512	1.6
278.06161	1.3
278.09479	3.5
279.06683	8.2
279.09610	1.5
282.08951	2.2
293.08084	1.8
294.08948	7.2
297.11118	3.6
299.01904	3.4
300.02585	1.4
301.03516	5.3
302.03946	1.4
309.11285	10.9
312.09930	2.6
314.04221	1.6
319.81393	0.8
323.07889	1.2
324.10056	1.2
327.12384	41.9
328.12729	2.3
339.12338	9.1
339.16028	1.2
340.12445	1.0
345.13425	3.1
357.13486	1.7
375.14371	1.5
394.42200	0.8
435.07422	2.2
436.07617	2.2
446.14511	0.9
537.19849	2.5
548.37781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
64.34635	0.7
70.15363	1.4
93.03510	0.8
93.75941	0.6
96.96043	1.6
98.22566	0.9
109.02988	0.7
113.02406	0.7
123.04615	1.6
152.01134	0.7
165.05678	0.7
167.03464	0.8
170.02251	0.6
192.83484	0.6
226.10062	2.2
229.08832	0.7
232.07393	1.0
239.07222	1.2
241.00220	0.8
241.12386	2.4
253.08702	1.9
254.09528	5.3
269.11774	3.2
270.12201	0.7
280.11151	1.3
283.09875	1.7
285.14993	0.8
297.11359	2.0
298.08517	1.9
298.12161	9.4
299.12506	1.0
303.51535	0.7
313.10803	1.9
313.14294	1.0
331.11942	1.4
331.15515	0.7
342.11154	10.8
345.13321	1.1
357.13507	1.8
358.10284	0.7
359.11197	1.2
374.13693	2.1
375.14520	100.0
376.14871	6.0
390.40820	0.7
537.19849	32.7
538.20380	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	537.2007
Annotation	Tanegoside
Peak:m/z	Relative Intensity
50.00798	2.1
59.01387	13.2
60.99515	2.2
62.99625	2.0
71.01395	9.1
72.99280	2.2
85.02982	3.9
89.02464	7.9
96.95996	3.8
101.02460	4.1
108.02174	2.5
109.02986	2.8
113.02448	2.9
119.03517	4.7
133.02940	2.8
135.04477	2.5
136.01668	8.4
137.02484	2.5
151.04010	15.6
152.01195	3.7
159.04524	2.3
161.02492	5.1
167.03542	3.8
173.06126	2.4
175.04088	2.5
175.07693	4.2
179.05609	3.2
189.05655	11.2
233.08232	3.1
255.10237	2.8
257.11874	45.9
282.14551	2.2
283.13489	8.5
285.11191	3.2
298.12137	9.3
299.12851	5.0
301.10889	6.2
301.14478	14.1
313.14462	3.3
327.12500	4.9
331.15518	2.9
345.13458	59.5
357.13531	5.3
375.14511	100.0
376.14935	5.4
537.19867	93.9
537.27588	4.9
538.20166	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	537.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27293	0.9
59.01385	43.7
71.01389	8.5
73.02949	2.3
81.03454	1.9
83.01401	1.7
84.95152	1.2
85.02959	2.8
89.02450	5.7
91.01919	5.6
95.01405	1.8
101.02448	7.9
102.52471	1.0
107.01411	3.0
108.02193	8.2
109.02960	9.1
110.73872	1.0
111.00884	2.0
113.02438	4.7
119.03521	2.3
123.00858	1.4
123.04532	22.2
125.02454	1.2
137.02501	1.5
150.03104	1.5
151.00395	5.9
152.01183	9.4
153.01962	14.6
153.83568	0.9
160.01614	1.0
163.11299	4.4
166.02704	5.3
167.03516	53.8
168.03851	1.2
181.05061	3.2
194.02196	3.9
194.03844	0.9
195.02975	5.4
207.10316	6.3
209.04559	26.1
210.04834	1.2
239.05589	2.3
251.05592	1.1
255.05139	8.1
269.06775	5.4
329.08902	1.2
336.31067	1.0
369.15356	4.8
387.16620	39.1
388.17084	1.8
463.16223	8.8
477.17673	4.2
505.17245	8.7
537.19800	100.0
538.19910	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	537.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78743	0.6
59.01374	2.8
67.66022	0.6
68.97498	0.7
69.11913	4.3
78.03497	2.2
87.04523	12.5
87.14129	0.6
122.02495	100.0
156.53246	0.9
183.10349	0.7
188.86183	0.6
213.16493	1.7
255.17639	1.3
255.88914	0.7
263.52515	0.6
494.22485	0.7
538.24506	5.5
560.21564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	25.3
65.11325	20.8
69.37743	100.0
75.67468	20.6
90.46150	17.7
98.22639	42.0
122.02472	48.3
135.84798	19.2
162.78218	19.6
231.41730	19.9
299.50415	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	537.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91016	0.6
65.00335	2.7
65.99855	2.4
68.99824	0.6
69.06107	4.5
72.99287	0.7
89.00331	0.7
94.03030	0.7
95.01424	1.0
98.02506	0.8
105.62078	0.7
109.01698	0.9
110.02475	4.4
116.05076	48.7
117.05356	0.7
119.05031	1.5
120.00923	0.7
120.99336	1.1
123.03255	4.2
134.02458	4.7
135.03270	6.7
135.04364	1.3
136.00377	4.1
136.98849	1.3
138.02002	2.3
144.99307	1.1
150.01945	1.0
151.02753	5.5
155.02249	1.8
160.98834	2.1
164.00003	1.2
165.00697	3.6
166.01474	1.5
171.04497	1.5
173.06035	1.2
188.98274	1.5
189.00665	3.0
192.03072	2.3
193.06664	0.7
193.75078	0.7
197.06038	1.0
200.07170	1.4
202.01492	0.7
209.06076	0.7
221.06052	0.9
224.07103	1.0
225.05603	0.7
226.08675	2.0
228.06686	1.4
228.97786	0.9
240.06540	0.8
241.05069	1.1
242.08241	46.8
243.06445	0.7
243.08667	1.2
249.05679	1.4
252.06741	1.6
258.72165	0.7
268.03574	1.0
268.06161	5.0
269.04443	1.0
269.06836	4.2
270.07733	100.0
271.00787	1.3
271.05591	1.0
271.08496	3.1
274.08316	0.8
280.06198	2.6
281.46323	0.7
293.06918	2.2
294.07758	1.1
296.98688	1.4
309.08841	4.4
322.07291	1.0
333.03894	1.2
339.04913	1.1
365.03171	0.6
374.06503	0.8
375.06992	2.4
378.14511	3.8
391.04617	0.8
401.04999	1.8
403.14264	1.9
420.16809	18.7
421.16861	1.8
426.14401	0.7
433.02094	1.7
445.74591	0.7
461.64691	0.7
465.09531	0.6
493.11359	1.2
509.09714	0.8
519.09027	1.1
537.09692	9.7
537.22559	36.2
538.10742	2.0
538.22937	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03462	1.1
59.01385	59.4
64.78554	0.6
69.03493	0.7
69.17545	3.9
71.01391	28.5
72.99309	0.7
73.02959	8.5
81.03466	0.7
83.01393	4.0
85.02961	10.8
86.00108	0.6
87.00897	3.6
88.57912	0.7
89.02456	15.5
94.29636	0.6
95.01409	2.3
97.02959	1.6
99.00908	1.4
101.02451	19.0
107.01408	1.3
108.02224	1.1
113.02454	12.4
119.03507	4.9
123.04546	4.8
125.02481	1.4
131.03546	2.6
143.03523	1.0
151.00381	0.9
152.01199	0.9
153.02019	0.8
159.02948	0.8
161.04564	4.6
167.03508	11.9
174.47041	0.5
179.05626	1.2
183.13884	1.0
195.13893	5.3
213.14970	4.2
221.06686	3.9
232.40918	0.7
288.07468	0.6
324.09180	0.7
333.20703	3.0
357.19080	0.7
375.20370	5.7
477.24951	26.6
478.25323	1.6
495.26044	5.2
537.25507	100.0
538.25690	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03446	1.1
57.74040	0.5
59.01386	53.6
60.10324	0.5
64.86772	0.4
67.01893	0.5
68.99806	0.7
69.03457	0.9
69.21650	3.2
71.01392	25.7
72.99307	0.4
73.02956	7.6
74.10761	0.5
80.46352	0.5
81.03494	1.0
83.01391	3.1
85.02962	9.5
86.00150	0.5
87.00881	3.2
89.02447	12.9
91.01929	0.7
95.01403	2.2
97.02950	2.3
99.00917	1.4
101.02454	17.9
107.01426	1.1
108.02208	1.0
109.02937	0.7
111.00877	0.8
112.01670	0.6
113.02467	10.9
115.55530	0.5
119.03515	4.5
123.04545	4.7
125.02496	1.6
131.03532	2.6
135.04591	0.5
137.02365	0.5
143.03516	1.1
151.00394	1.5
152.01190	1.0
156.53407	0.5
159.03043	0.6
160.97218	0.4
161.04572	4.4
167.03502	12.1
177.82861	0.5
179.05716	1.0
183.14006	1.0
195.13930	4.1
213.15010	3.4
221.06648	3.8
244.77217	0.5
333.20715	2.4
375.20343	5.2
447.23529	0.7
477.25009	30.8
478.25558	1.6
495.25949	4.9
519.24316	1.4
537.25500	100.0
538.25781	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	537.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03455	8.3
59.01385	100.0
69.75529	2.0
71.01389	20.0
72.58713	0.6
72.99331	0.7
73.02946	6.5
75.46721	0.6
83.01401	3.1
83.99531	0.6
85.02964	12.3
87.00889	1.2
89.02459	7.8
95.01382	3.2
97.02964	0.9
97.06609	1.0
98.21931	1.3
99.00905	2.0
101.02456	10.3
113.02464	19.8
113.03256	1.0
119.03547	2.2
125.02485	1.1
143.03551	1.2
161.04605	4.1
162.64423	0.6
237.84183	0.6
271.20685	3.9
333.20703	7.5
334.84415	0.7
403.04904	0.8
429.23105	1.3
477.24994	25.4
478.25333	1.4
495.25983	14.2
495.81656	0.6
496.26639	0.8
537.27338	5.0
538.27405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44601	0.5
57.51580	0.4
59.01387	8.1
61.98841	0.8
64.29239	0.5
71.01356	0.7
73.23565	0.5
78.95931	0.6
83.05019	0.6
90.77367	0.5
90.92335	0.4
98.02486	0.6
101.02436	1.1
101.06107	0.5
113.02512	0.6
119.05023	0.9
135.04550	1.2
156.13091	0.5
161.02489	0.7
242.94856	0.5
247.17059	1.0
274.15704	3.7
275.20364	0.9
301.18039	0.8
303.19684	20.3
304.20135	1.2
315.19708	10.0
316.19931	0.9
331.19119	2.5
332.19849	1.1
333.20746	100.0
334.21097	3.9
416.37885	0.5
429.16739	0.6
477.25003	1.4
495.26181	1.2
537.27142	30.8
538.27484	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	537.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00923	0.9
55.01870	1.0
57.03431	1.4
59.01384	36.4
61.98835	13.5
65.00332	1.8
68.99830	1.0
71.01388	12.3
73.02942	6.3
73.31701	0.8
81.03449	1.3
83.01395	1.8
83.05054	1.9
85.02957	8.4
89.02476	1.5
95.01396	1.1
96.96015	1.3
97.02979	2.5
98.44728	0.8
99.00896	2.0
101.02467	11.0
111.00874	1.3
112.98817	1.7
113.02475	6.0
116.92881	2.4
120.99335	2.0
125.02413	1.5
126.17471	1.0
136.98796	1.1
154.99889	2.7
161.04591	2.7
163.11394	0.8
164.98279	0.9
166.99870	1.0
171.04556	1.1
171.13953	1.1
200.98291	1.1
204.97784	4.3
213.09265	1.4
228.97841	1.7
232.97272	1.1
241.05011	1.4
243.17577	1.6
244.97293	1.2
269.15460	1.2
269.19119	2.4
270.07712	1.8
271.20639	1.9
274.15881	1.7
283.02502	2.0
284.02945	2.6
285.03113	2.1
287.16626	2.7
287.20163	4.3
293.04578	1.5
298.04739	2.2
300.05380	1.3
301.18112	2.6
303.19672	12.4
309.04175	1.6
313.07339	3.1
314.07553	2.7
315.07867	4.7
315.16309	1.6
315.19720	16.5
317.21237	1.8
331.16187	4.5
331.18729	4.7
332.19833	2.5
333.20734	70.4
334.21182	3.5
375.14639	6.7
380.12830	1.7
399.21814	1.4
405.02356	1.3
433.02322	1.4
437.10046	1.1
459.24188	2.8
461.36090	1.0
477.24969	24.1
495.25970	16.9
496.26080	1.2
509.08786	1.8
519.26025	8.6
537.10211	4.6
537.27173	100.0
538.11169	1.4
538.27350	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	537.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00923	0.9
55.01870	1.0
57.03431	1.4
59.01384	36.4
61.98835	13.5
65.00332	1.8
68.99830	1.0
71.01388	12.3
73.02942	6.3
73.31701	0.8
81.03449	1.3
83.01395	1.8
83.05054	1.9
85.02957	8.4
89.02476	1.5
95.01396	1.1
96.96015	1.3
97.02979	2.5
98.44728	0.8
99.00896	2.0
101.02467	11.0
111.00874	1.3
112.98817	1.7
113.02475	6.0
116.92881	2.4
120.99335	2.0
125.02413	1.5
126.17471	1.0
136.98796	1.1
154.99889	2.7
161.04591	2.7
163.11394	0.8
164.98279	0.9
166.99870	1.0
171.04556	1.1
171.13953	1.1
200.98291	1.1
204.97784	4.3
213.09265	1.4
228.97841	1.7
232.97272	1.1
241.05011	1.4
243.17577	1.6
244.97293	1.2
269.15460	1.2
269.19119	2.4
270.07712	1.8
271.20639	1.9
274.15881	1.7
283.02502	2.0
284.02945	2.6
285.03113	2.1
287.16626	2.7
287.20163	4.3
293.04578	1.5
298.04739	2.2
300.05380	1.3
301.18112	2.6
303.19672	12.4
309.04175	1.6
313.07339	3.1
314.07553	2.7
315.07867	4.7
315.16309	1.6
315.19720	16.5
317.21237	1.8
331.16187	4.5
331.18729	4.7
332.19833	2.5
333.20734	70.4
334.21182	3.5
375.14639	6.7
380.12830	1.7
399.21814	1.4
405.02356	1.3
433.02322	1.4
437.10046	1.1
459.24188	2.8
461.36090	1.0
477.24969	24.1
495.25970	16.9
496.26080	1.2
509.08786	1.8
519.26025	8.6
537.10211	4.6
537.27173	100.0
538.11169	1.4
538.27350	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	537.2709
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
54.61082	0.7
55.01881	1.8
56.42410	0.8
57.03456	1.7
58.00602	1.1
59.01385	100.0
69.03480	1.2
70.52987	1.7
71.01389	19.0
72.99328	2.5
73.02953	7.8
75.00906	1.9
83.01392	6.5
85.02959	11.1
86.00121	1.8
87.00916	2.0
87.47938	0.7
89.02461	3.8
95.01408	2.5
99.00900	4.5
101.02454	19.2
101.03105	1.0
101.49525	0.9
113.02450	9.1
116.01176	1.3
119.03574	1.0
119.05065	1.5
125.02498	0.9
129.02007	1.0
135.04572	0.9
150.03279	1.9
157.01451	1.6
159.03044	1.0
161.04639	2.4
165.05623	2.0
181.76764	0.7
219.87357	0.7
259.71759	0.8
271.20685	0.8
280.03952	0.7
289.21790	3.5
291.23337	1.1
297.18210	0.8
311.05649	1.3
333.20761	1.6
333.24387	3.0
433.25928	9.2
451.27005	7.4
477.24884	10.2
477.30502	1.0
495.26285	2.3
519.25958	1.0
537.27142	16.0
538.27679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2713
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
57.03459	0.4
59.01385	24.9
60.99321	0.5
64.84048	0.5
66.68915	0.5
71.01385	5.2
73.02967	1.3
79.04129	0.4
83.93051	0.4
85.02954	2.9
88.98812	3.3
89.02467	1.3
95.01396	0.6
97.02986	0.8
98.22704	0.9
101.02415	2.2
113.02470	2.5
113.66261	0.5
114.75365	0.5
123.04539	0.5
140.38951	0.5
161.04630	0.5
164.08548	0.5
167.03743	0.4
182.62166	0.5
215.10805	1.4
224.98793	0.5
227.10777	1.3
235.79056	0.5
237.56630	0.5
243.06834	0.8
271.06125	1.9
283.17044	3.1
285.18634	11.7
300.17383	1.1
315.19678	100.0
316.19977	5.2
333.20752	66.1
334.21158	3.1
335.44696	0.6
375.14224	0.6
446.61374	0.6
455.07910	0.7
477.24994	12.1
478.25302	1.2
478.73358	0.5
495.25961	4.5
537.27039	32.3
538.27277	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.271
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
56.77878	2.0
57.03437	2.6
59.01385	100.0
70.87475	1.9
71.01387	22.4
71.05460	2.4
73.02943	7.2
77.26393	2.0
83.01385	5.1
85.02958	13.6
89.02446	8.6
95.01403	2.7
97.02984	2.6
100.27151	2.2
101.02470	11.8
113.02454	12.7
114.43369	2.7
121.06580	3.1
132.70313	2.4
167.03554	4.3
168.15189	2.3
195.18896	2.0
237.59593	2.5
272.42221	2.4
333.20801	13.1
477.24988	85.9
478.25241	5.6
495.25906	21.5
525.11145	2.1
537.27844	14.1
538.68146	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.31025	0.7
94.13660	0.9
99.73893	0.7
125.87371	1.0
143.46576	0.7
188.67668	0.8
205.60106	0.7
305.83466	0.8
528.75879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01387	100.0
69.03471	0.5
69.26944	1.3
71.01396	4.5
72.99297	0.3
73.02956	1.3
77.01077	0.3
83.01417	0.9
83.05064	0.3
85.02967	3.3
95.01395	0.4
97.02963	2.6
98.22716	0.6
99.00908	0.4
101.02461	1.8
109.03034	0.6
113.02438	2.4
125.02460	0.3
134.06210	0.2
137.02516	0.3
143.03571	1.1
152.48724	0.2
155.08733	0.3
156.87790	0.2
161.04556	1.8
167.03462	0.3
187.11340	0.7
213.43745	0.3
271.46878	0.3
299.16620	0.6
315.19690	2.6
333.20700	5.4
334.20813	0.3
349.20349	1.0
429.23212	0.3
433.91226	0.3
459.23874	2.1
461.19424	0.7
477.25018	4.8
478.25656	0.3
495.25995	1.5
505.18530	0.6
518.57074	0.3
537.27246	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	537.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14520	0.7
52.28584	0.8
53.70022	0.7
53.94753	0.7
55.01883	1.8
57.03458	1.7
58.00616	0.7
59.01388	100.0
69.01227	0.7
70.20422	1.5
70.20757	1.1
71.01393	37.0
72.99329	1.0
73.02956	33.8
75.00886	0.7
78.91942	0.8
81.03460	0.8
82.94116	0.8
83.01398	9.7
84.45805	0.7
85.02971	9.9
87.00912	1.7
89.02454	13.5
93.03468	11.7
94.33832	0.7
95.01411	3.6
97.02979	2.4
99.00890	1.2
101.02456	24.0
101.03106	1.3
108.02168	4.4
109.02959	1.3
113.02463	22.1
119.03532	3.6
123.04541	1.1
125.02496	1.6
131.03522	1.5
137.02464	12.3
143.03581	1.7
149.04639	1.2
152.01163	10.6
161.04578	4.7
163.04205	0.8
167.03523	1.8
179.05719	1.2
189.13022	1.0
191.10712	0.8
298.13678	0.7
315.19952	1.2
333.20850	3.3
375.14572	1.1
387.22156	0.9
399.09354	11.8
400.09833	0.9
477.24997	56.4
478.25433	3.5
478.31793	0.8
495.25986	12.8
537.13562	4.3
537.27441	12.5
538.27917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88349	0.1
59.01384	3.8
69.65715	0.1
70.28924	0.1
71.01384	0.7
73.02950	0.2
75.37009	0.1
83.01404	0.2
85.02975	0.3
89.02445	0.2
92.94492	0.1
95.06427	0.1
96.82623	0.1
97.02965	0.2
99.00875	0.1
101.02466	0.5
103.60527	0.1
106.78365	0.1
109.03008	0.1
113.02450	0.2
119.04973	0.1
132.85574	0.1
136.05301	0.1
143.03557	0.1
144.22733	0.1
150.06943	0.1
161.04549	0.1
162.06898	0.2
215.10799	0.2
227.10625	0.1
243.17554	0.1
247.17073	0.6
257.15512	0.1
259.13440	0.5
259.17081	0.1
259.20630	0.3
269.15503	0.3
270.16205	0.1
271.17035	1.5
273.14957	0.1
273.18518	0.1
274.15765	3.8
275.16367	0.2
275.20078	0.3
279.11243	0.1
283.17044	0.5
285.18649	0.2
287.16452	0.7
287.19598	0.1
288.17297	0.2
299.16547	0.2
301.18079	1.4
302.18771	0.2
303.19666	24.5
304.19986	1.2
315.19653	11.5
316.19946	0.7
317.17596	0.7
318.18069	0.1
331.19150	2.7
332.19849	1.1
333.20718	100.0
334.21051	5.2
477.24780	0.7
495.25467	0.5
506.19345	0.1
537.27081	27.7
538.27515	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	537.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14520	0.7
52.28584	0.8
53.70022	0.7
53.94753	0.7
55.01883	1.8
57.03458	1.7
58.00616	0.7
59.01388	100.0
69.01227	0.7
70.20422	1.5
70.20757	1.1
71.01393	37.0
72.99329	1.0
73.02956	33.8
75.00886	0.7
78.91942	0.8
81.03460	0.8
82.94116	0.8
83.01398	9.7
84.45805	0.7
85.02971	9.9
87.00912	1.7
89.02454	13.5
93.03468	11.7
94.33832	0.7
95.01411	3.6
97.02979	2.4
99.00890	1.2
101.02456	24.0
101.03106	1.3
108.02168	4.4
109.02959	1.3
113.02463	22.1
119.03532	3.6
123.04541	1.1
125.02496	1.6
131.03522	1.5
137.02464	12.3
143.03581	1.7
149.04639	1.2
152.01163	10.6
161.04578	4.7
163.04205	0.8
167.03523	1.8
179.05719	1.2
189.13022	1.0
191.10712	0.8
298.13678	0.7
315.19952	1.2
333.20850	3.3
375.14572	1.1
387.22156	0.9
399.09354	11.8
400.09833	0.9
477.24997	56.4
478.25433	3.5
478.31793	0.8
495.25986	12.8
537.13562	4.3
537.27441	12.5
538.27917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18575	0.2
59.01386	3.1
61.98835	0.4
65.65294	0.2
69.29910	0.9
71.01379	0.4
78.95892	0.2
86.27974	0.2
89.02498	0.2
93.04403	0.2
113.02464	0.4
135.04553	0.4
148.05385	0.5
201.09238	0.4
243.13817	0.3
245.15308	0.3
245.19131	0.4
247.17087	0.3
255.13895	0.3
257.15497	2.0
261.18530	0.4
273.15067	0.7
274.15823	1.3
283.16995	0.3
287.16779	0.5
288.17349	0.4
289.18134	39.2
290.18439	1.8
303.19595	0.4
315.19681	7.8
317.17734	0.3
331.19302	1.6
332.19986	0.5
333.20737	100.0
334.21066	4.5
348.86487	0.2
359.26932	0.3
452.36353	0.2
537.27106	29.4
538.27625	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	537.271
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
54.21759	0.7
57.03458	2.6
59.01387	100.0
69.03468	1.7
70.16198	1.0
70.16530	0.7
71.01389	25.3
72.99329	1.1
73.02958	9.8
75.00899	1.2
81.03478	0.6
83.01389	6.4
83.05036	1.3
85.02964	15.8
85.03479	0.9
87.00908	1.9
89.02465	2.3
92.25175	0.6
92.99693	0.6
95.01390	2.9
95.81358	0.6
97.02968	8.9
99.00920	3.8
101.02454	21.1
109.03002	2.2
112.01732	0.8
113.02460	10.9
118.22951	0.6
119.03647	0.6
119.05110	0.8
123.29506	0.6
125.02515	2.0
129.02007	0.6
133.05663	0.6
135.04520	0.7
143.03517	4.7
155.08701	1.0
159.03081	1.0
161.04597	7.0
171.08260	0.7
171.11848	1.0
171.13982	0.7
173.09807	1.3
187.11319	7.0
189.12866	0.9
255.17619	1.2
289.18256	1.3
299.16531	11.2
299.19803	0.7
301.18045	0.9
303.19781	1.8
315.19687	12.1
316.20197	0.8
331.19281	1.8
333.20743	25.6
334.21283	1.2
349.20447	2.5
367.21246	0.9
373.20499	0.6
389.94125	0.6
429.22879	3.1
459.23825	4.3
477.25009	22.7
478.25641	1.0
495.26062	57.1
496.26389	4.0
537.08630	2.2
537.27216	12.9
537.34711	1.0
538.27551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65712	0.7
53.81750	0.7
54.28844	0.7
58.49177	0.7
66.71954	0.7
66.91562	0.7
69.91956	0.9
69.92272	1.6
78.95922	20.0
93.83113	0.8
99.12955	0.8
100.91110	0.8
117.13450	0.7
117.53435	0.7
152.99644	4.0
155.69395	0.8
168.04347	2.2
191.18211	0.8
210.72191	0.8
224.06975	7.1
242.08051	1.5
255.23325	100.0
256.23578	4.0
287.97696	0.8
346.18607	0.9
416.37903	0.8
480.30991	64.7
481.31430	2.7
499.02612	0.8
527.25287	0.8
537.32977	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23331	2.6
69.36298	16.1
72.16677	2.6
96.96918	2.6
98.21960	6.6
99.09989	2.7
112.32087	3.3
114.08055	2.8
199.65056	2.8
238.22795	2.7
286.81638	3.2
455.35333	100.0
456.35526	10.2
457.50696	3.3
537.35742	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23080	1.7
59.01407	1.4
67.94936	1.3
85.01711	1.1
112.05136	1.2
116.58805	1.3
303.71185	1.4
353.26196	1.4
373.60602	1.3
444.59891	1.4
454.03711	1.3
455.35321	100.0
456.35846	8.1
537.35675	61.6
537.44049	1.8
538.35968	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	538.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.5
61.98834	56.5
62.89930	3.1
63.35293	3.1
69.21729	16.5
71.01370	8.2
71.31289	2.9
74.46408	3.2
76.15549	3.0
85.02972	8.8
87.13026	3.0
89.02477	4.4
90.90188	3.3
95.01409	4.4
96.95994	4.0
99.00832	4.7
104.49792	3.1
109.02932	4.8
113.02482	14.8
123.04527	11.1
125.02483	4.2
137.86504	3.1
149.02420	3.3
151.00325	9.0
152.01082	5.3
163.00351	4.3
166.02673	7.7
167.03506	33.6
168.03860	10.5
170.19098	3.1
175.02448	7.3
175.11314	3.4
177.01895	7.3
178.02296	5.1
181.05070	4.3
192.04272	9.0
193.04683	6.5
194.02242	5.2
201.08765	8.0
207.06580	16.7
208.06969	6.2
209.04561	42.9
210.04910	13.8
239.05533	6.6
240.05832	3.8
254.09505	4.1
269.06717	16.4
270.07007	5.6
284.03293	38.8
298.12021	9.9
299.05637	42.9
299.12476	7.4
342.11035	9.0
343.11453	7.8
374.13641	5.2
375.14468	100.0
376.14862	87.0
377.15753	4.3
472.62021	4.8
537.19843	19.6
538.20367	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45034	2.8
59.01389	27.5
61.98836	79.8
66.91303	2.8
69.28362	13.1
69.28754	6.6
70.01968	2.9
70.14932	2.5
71.01382	12.3
72.99286	2.7
73.02936	3.1
75.00866	4.5
78.91913	4.0
85.02956	25.1
89.02471	5.9
95.01373	4.3
98.22676	3.4
99.00921	7.6
101.02478	4.7
101.96148	2.9
103.00431	2.9
110.72774	2.9
113.02460	42.3
120.99666	61.5
131.37463	3.0
139.27737	2.9
163.00290	3.0
165.99069	4.6
167.03506	13.1
175.02455	11.9
209.04591	6.4
210.05026	2.9
213.09010	3.1
236.06322	2.8
284.03284	93.8
299.05624	100.0
300.05823	5.7
361.16171	3.1
375.14471	10.1
376.14838	6.3
387.16608	4.5
475.08609	12.3
492.48297	3.3
537.19824	8.7
538.20032	11.0
539.21002	4.6
541.08942	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	538.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.4
59.89134	2.3
60.86545	2.7
61.98833	51.0
69.28485	2.4
85.02952	12.2
92.89517	2.5
95.01397	3.6
99.00883	3.1
110.00120	14.2
113.02464	25.5
120.08176	2.8
137.99612	7.9
142.16295	2.9
153.01979	2.5
159.15092	2.8
165.99095	11.4
175.02458	10.3
284.03281	82.6
288.75323	2.4
299.05603	100.0
300.05658	3.0
392.40457	2.8
433.80893	2.8
440.65948	2.6
526.04974	2.6
539.21948	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	538.1149
Annotation	Fredericamycin A
Peak:m/z	Relative Intensity
65.99826	1.7
68.99809	0.8
69.40038	3.0
82.65478	0.8
83.80170	0.8
98.21959	2.1
108.02183	1.3
109.02937	4.0
117.03469	0.8
135.04520	3.1
155.75496	0.9
161.02431	1.8
169.90692	0.9
171.04562	1.7
176.03494	1.3
186.01958	2.6
198.02026	1.6
199.02635	1.0
200.03500	2.8
202.01363	1.4
210.34474	0.8
213.00684	1.4
214.01335	1.2
215.02278	1.9
226.01491	2.6
228.02910	1.3
241.00095	1.9
242.00911	2.0
243.01677	1.1
244.02423	4.7
246.95149	1.0
252.03560	0.9
255.01541	1.2
255.06642	0.9
256.02383	2.5
257.03162	1.4
258.00272	0.9
268.02319	0.9
268.06232	2.2
269.04160	1.2
270.00464	17.1
270.07761	1.0
272.02097	4.0
280.05948	1.3
284.02032	1.1
294.00308	2.0
294.07690	1.3
295.98346	3.4
298.00052	2.0
304.06039	1.1
306.07642	1.3
312.01425	6.0
322.07199	1.4
324.01633	1.4
325.02576	1.6
330.07727	1.9
334.07196	2.1
358.07114	5.2
369.31732	1.0
372.05423	1.2
374.06641	8.2
376.08289	24.1
384.05176	1.9
390.05951	1.5
400.04550	1.1
402.06232	7.0
416.03287	1.7
416.08521	5.0
428.07608	4.7
434.04996	4.1
476.11133	0.9
494.12640	1.6
495.12775	0.9
502.09540	1.8
520.10364	9.9
521.10590	1.3
538.11432	100.0
539.11786	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	538.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90941	1.7
59.01372	1.7
65.00339	3.6
65.99855	3.2
68.99794	2.5
69.18201	10.1
69.23470	1.6
71.01382	2.6
73.02935	3.3
78.91919	2.6
79.95741	2.0
80.99126	1.4
85.72672	1.7
96.96023	14.8
98.22597	4.2
101.02475	4.6
106.03010	7.1
112.98798	2.8
129.01973	4.8
130.03041	2.2
136.00429	6.6
138.97110	2.3
146.02493	4.6
150.01999	7.1
169.70946	1.7
170.02463	4.2
171.04529	5.4
173.00963	1.8
173.06242	2.4
174.02003	10.4
175.02512	4.0
198.01958	3.6
215.07227	2.2
218.00940	6.4
236.07224	4.1
242.01022	6.2
250.08658	2.3
254.98169	10.7
270.34778	1.9
274.08676	3.8
275.07034	2.3
278.08252	21.1
280.06104	2.3
286.00055	5.4
322.07263	2.1
346.07242	4.7
390.06204	65.5
391.06369	3.3
494.12512	100.0
495.12766	7.6
521.49268	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	538.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71711	3.0
53.80008	2.9
56.21156	3.1
64.01920	5.4
65.00334	17.6
65.99853	41.6
68.99825	6.3
69.43042	13.7
75.92570	3.5
83.01409	4.2
96.00930	7.0
96.99337	3.7
101.04005	3.5
101.75269	3.2
108.00935	9.2
108.45773	3.5
110.00105	12.1
111.00928	8.4
112.98816	12.5
115.05508	6.8
118.03017	5.7
120.00959	4.7
120.78083	2.9
131.05057	25.9
132.00931	4.4
135.03307	3.3
136.00446	31.9
136.98811	6.7
142.03079	4.8
143.05028	11.3
145.06609	9.8
146.02489	6.4
147.04596	5.7
150.01985	8.1
157.06615	6.8
158.02499	5.2
161.06093	5.6
162.01996	5.7
163.99945	27.0
169.06583	11.7
171.04530	25.6
173.01173	4.3
173.06114	13.2
174.01936	7.0
175.02698	4.6
175.99918	41.3
178.01483	4.9
180.08282	3.6
185.06110	8.2
186.01988	10.8
187.04095	4.7
189.00725	4.5
189.05582	7.5
190.01363	3.8
195.04532	4.3
197.06129	9.9
198.02017	3.4
199.04091	8.0
201.05580	66.6
202.01497	7.3
203.02267	6.8
203.99428	9.2
208.07698	5.8
210.05641	6.1
213.05588	7.4
214.01527	8.1
218.01031	9.4
220.07762	4.0
224.07176	4.7
225.05550	11.7
226.05193	3.7
226.08714	3.1
229.05064	100.0
230.00824	8.1
230.05391	4.4
231.01694	5.0
232.07622	6.0
236.07037	4.9
238.05182	10.1
238.61821	3.7
240.06709	10.5
241.05203	3.9
242.00972	6.6
242.08290	10.1
248.07271	8.7
250.08754	3.9
252.06741	8.3
255.06642	37.8
258.00528	9.0
260.07095	4.6
264.06927	4.3
268.06177	56.3
268.36575	3.5
269.04465	27.9
270.07794	29.4
276.06683	7.3
278.08218	5.9
280.06201	73.1
281.06601	3.9
282.07813	7.9
285.99899	17.2
288.06876	3.8
290.08420	4.0
292.06305	5.1
294.07700	13.3
296.05716	12.4
302.08344	5.2
304.06155	5.4
306.07690	6.9
308.05630	19.4
318.07645	9.7
320.05753	3.9
322.07166	11.7
334.07251	7.5
335.07953	4.9
346.07202	21.0
350.06580	5.4
362.06769	26.2
377.05453	7.0
378.06335	20.1
380.12976	20.0
390.06226	80.3
408.12570	10.1
421.15527	3.5
422.13931	23.9
424.12100	19.7
426.13452	4.8
442.13034	29.3
450.13568	33.4
452.11203	6.2
466.13083	33.8
476.11221	8.4
494.12460	60.8
495.12775	9.1
510.11923	9.8
520.10327	49.0
538.11383	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01915	6.5
65.00330	11.1
65.99846	26.1
68.99822	9.4
80.52116	2.9
82.00594	3.5
83.01414	2.9
88.26751	3.6
94.19738	3.2
96.00914	9.2
108.00881	4.6
110.00113	11.9
110.02506	6.0
111.00887	11.4
112.98809	5.7
115.05561	8.6
118.03008	4.0
120.00962	5.2
123.03220	3.3
124.00446	3.6
130.02965	3.5
131.05043	26.0
133.06581	4.1
134.02516	8.0
135.00914	3.5
136.00410	33.9
143.05042	9.0
145.06630	7.9
146.02475	6.9
147.04550	5.4
150.01997	5.1
157.06601	12.8
158.02441	6.7
162.01994	7.0
163.99910	24.9
169.06531	5.6
171.04538	36.9
173.06081	11.6
173.70850	3.3
174.02002	8.5
175.02722	5.5
175.99916	24.8
184.07602	3.7
185.06111	8.8
186.01987	11.5
187.02641	5.0
189.00647	4.9
189.05566	7.2
190.01459	5.5
199.04063	7.5
201.05583	88.6
202.01505	7.2
210.05525	4.3
213.05664	7.8
214.01430	5.4
214.91563	3.7
215.02165	3.8
216.02968	5.5
218.01102	4.4
224.07124	5.2
225.05591	6.2
226.05202	5.3
229.05070	100.0
231.01787	3.8
232.07523	3.8
234.09171	3.5
236.07069	5.3
238.05084	5.8
240.06667	12.9
242.00955	9.2
242.08205	19.4
248.07085	5.9
252.06648	8.8
255.06624	20.5
258.00436	9.3
260.07150	3.7
262.08823	5.2
264.06625	6.0
268.06177	54.2
269.04459	7.6
269.07037	5.3
270.07767	30.8
272.07257	4.4
276.06619	12.4
278.08264	11.8
280.06204	44.5
282.04086	5.8
282.07620	3.8
285.99918	16.2
290.08307	5.7
292.06149	5.7
294.07809	8.2
296.05420	8.2
304.06073	5.9
306.07535	11.1
308.05585	9.0
318.07660	12.9
320.05756	7.7
322.07190	14.5
334.07211	10.5
335.08099	5.9
346.07187	19.1
362.06738	33.1
364.08157	5.7
372.04913	4.8
378.06165	13.9
380.12851	11.8
388.08118	3.8
390.06247	79.1
391.06696	5.1
392.07791	4.8
408.12515	11.0
422.13895	8.1
424.11990	10.2
432.06888	4.5
433.14218	6.9
442.13107	26.3
450.13400	15.5
452.11243	4.8
466.12894	21.9
470.12689	6.0
476.11591	4.3
482.12457	9.1
494.12497	75.0
510.11996	15.7
520.10474	13.6
538.11523	59.4
539.11298	4.9
539.18549	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	538.1149
Annotation	Fredericamycin A
Peak:m/z	Relative Intensity
51.08508	0.6
58.49326	0.7
65.00345	1.0
65.63004	0.7
65.99877	1.1
66.36607	0.6
67.12051	0.7
68.99844	1.0
69.09788	2.6
69.10193	2.4
74.06636	0.8
97.82904	0.9
107.58274	0.7
109.17348	0.7
112.98849	1.3
117.03509	1.6
132.04617	1.5
133.03009	0.8
134.02513	1.0
135.04599	1.9
146.02486	4.2
156.04514	0.9
159.03328	1.5
160.04198	1.1
161.02457	5.8
162.02000	0.9
171.03275	0.9
171.04559	3.4
174.02043	4.4
175.02751	1.0
176.03511	4.2
184.04117	0.8
187.02760	1.5
188.03525	1.5
200.03401	3.7
201.05598	1.0
202.01472	8.1
204.03043	1.6
213.04274	0.9
214.01537	1.0
215.02278	3.6
216.03154	2.2
220.07698	1.0
226.01491	0.8
227.99518	0.8
228.03104	2.1
230.00963	7.9
236.07176	1.2
242.01228	0.9
243.01762	5.9
244.02449	4.5
260.07175	2.1
262.08740	1.0
270.00574	1.4
270.07660	1.2
272.01996	7.5
278.08157	3.4
280.06113	1.8
288.06635	1.5
290.08319	2.9
291.05594	0.8
292.06155	1.5
306.07684	11.6
308.09256	9.2
311.25012	0.8
314.08261	1.0
316.06262	1.6
324.01517	2.6
330.07864	1.2
332.09244	4.7
334.07245	51.6
335.07440	1.6
348.08783	3.7
358.07013	1.3
375.07574	1.8
376.08270	100.0
377.08591	5.4
380.12924	1.5
385.09464	0.9
415.06970	1.4
422.13837	1.4
428.07776	14.7
466.12817	1.2
494.12479	3.1
520.10400	1.4
538.11395	27.9
539.11829	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	538.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00318	3.2
68.99819	3.4
69.92124	2.2
69.92449	3.0
83.01378	3.9
84.99317	6.4
98.22015	2.3
99.85519	1.6
111.00893	32.4
112.98820	90.6
119.05006	2.3
153.88951	1.7
171.04520	11.5
180.08220	2.5
184.07663	6.3
192.08257	2.3
204.08128	2.3
208.07658	6.4
220.07697	18.0
226.08727	5.1
228.06700	2.4
232.07750	11.3
233.08377	2.2
234.09331	3.1
242.08157	2.8
248.07164	17.6
250.08701	8.0
252.06731	8.1
262.08707	18.0
268.06012	2.0
270.07782	4.5
274.08740	5.4
275.05811	2.0
276.06641	18.7
278.08167	2.5
289.07278	4.0
290.08127	8.9
294.07672	5.6
296.09393	2.2
302.08307	5.5
303.09067	1.8
318.07660	12.2
331.08386	2.0
336.13864	2.5
338.11899	9.8
344.09393	2.6
352.13394	9.0
362.11975	2.2
379.12057	2.9
380.12927	100.0
381.12903	4.0
382.10907	3.3
390.06061	4.6
394.14450	2.0
398.14346	2.2
403.06854	5.1
422.13980	95.3
423.14401	8.2
424.11926	18.6
450.13568	17.3
466.12900	27.4
494.12445	41.5
495.12308	2.5
538.11377	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	538.115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	2.1
67.01905	3.1
67.92968	1.4
68.94978	1.5
68.99841	2.1
69.17957	7.3
77.48344	1.5
83.01401	4.1
84.99312	10.2
111.00891	35.7
112.98821	86.3
154.99937	4.6
171.04506	13.0
180.08226	3.6
182.06090	2.6
183.83223	1.8
184.07668	4.9
190.06693	2.0
192.08215	2.6
196.56775	1.7
198.05608	2.0
204.08212	5.3
206.09769	2.2
208.07768	11.0
217.41562	1.7
220.07709	24.4
222.09351	2.3
224.07199	2.8
226.08765	5.0
232.07652	13.3
233.08438	3.3
244.43510	1.6
246.09354	1.9
248.07231	18.8
249.07990	3.9
250.08786	7.1
252.06691	11.9
261.07947	3.7
262.08740	21.9
270.07742	2.4
274.08801	5.9
275.06131	2.3
276.06693	21.8
288.06720	2.8
289.07507	5.8
290.08307	10.6
291.09061	3.1
292.06091	1.7
294.07751	7.6
296.05573	2.2
302.08197	3.9
310.12482	4.2
318.07779	12.4
320.05652	2.1
322.07095	3.0
331.08585	2.1
336.14053	2.5
338.11884	11.7
344.09457	1.9
346.07114	2.0
352.13538	7.1
379.12015	2.6
380.12955	100.0
381.13318	6.0
382.10818	3.5
390.06189	5.5
394.14496	1.9
398.14008	4.6
403.07950	1.6
422.14014	96.4
423.14511	5.7
424.12000	21.4
450.13446	14.6
466.12961	27.7
469.73318	2.1
494.12512	37.8
538.11414	19.9
559.03564	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	538.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44850	3.5
59.04076	3.7
61.09922	3.1
64.01924	8.9
65.00330	12.9
65.99856	40.0
68.99828	10.3
70.73228	5.2
73.70427	3.4
75.44087	3.3
75.80276	3.6
78.45782	3.9
80.08787	3.4
80.87731	3.4
82.02993	4.5
92.44039	3.9
96.00917	7.2
101.03979	4.5
104.12943	3.4
105.02209	4.1
106.02954	5.8
110.00098	9.1
110.02490	10.6
111.00903	12.7
112.00423	6.1
112.98829	21.2
115.05527	3.9
118.03061	4.9
119.05036	22.7
120.00960	5.2
131.05052	18.2
134.02490	4.6
136.00426	34.2
138.01935	4.8
142.06471	3.8
143.05066	11.1
145.02972	6.5
145.06595	6.5
146.02533	5.0
147.04546	7.0
148.00320	3.3
148.04105	4.2
149.01266	3.6
150.01996	8.3
151.00446	5.0
151.02820	4.8
154.99886	32.5
157.06604	9.0
160.00465	4.4
162.01901	8.8
163.99873	24.7
165.00729	6.6
169.06639	5.0
171.04555	46.8
172.05038	6.0
173.06079	14.1
174.02003	13.9
175.99907	31.8
185.06125	6.1
186.01997	7.7
189.00732	5.4
192.03087	6.7
197.06123	7.2
198.94598	3.9
199.04054	8.3
201.05583	50.9
202.01427	10.5
203.99446	4.7
208.07651	6.6
210.05627	11.6
212.03487	5.7
212.64565	4.3
213.05730	7.0
214.01526	9.3
216.03014	6.1
218.00914	9.3
220.07689	10.9
223.03998	4.3
224.07210	7.7
225.05544	4.7
226.05042	5.2
228.02963	5.2
229.05081	59.9
232.02480	5.6
232.07726	4.1
236.07388	6.0
238.05182	8.3
240.06656	8.3
242.00993	10.7
242.08228	19.0
248.07156	10.7
249.07549	5.3
250.08804	6.8
252.06763	10.0
254.04520	8.9
255.06650	40.2
256.06918	4.0
266.08514	6.3
267.03159	5.3
268.06186	53.4
269.04578	14.1
270.07761	33.1
274.08865	3.9
276.06607	16.2
277.07327	5.5
278.08264	14.5
280.06183	62.5
281.06659	5.3
282.04172	64.3
284.05704	12.0
285.99854	7.8
290.08170	7.4
294.07715	13.6
296.05762	10.5
302.08350	5.2
304.06024	6.5
306.07693	10.1
308.05627	15.2
318.07642	13.3
320.05771	7.9
320.09293	11.8
322.07166	11.6
324.05286	8.7
334.07266	7.1
336.09280	6.0
338.11688	8.0
339.11960	5.0
346.07416	17.7
348.08914	7.3
362.06812	28.1
364.08310	11.8
369.96451	4.8
378.06271	11.2
380.12839	25.4
381.13287	37.1
390.06174	57.9
391.06799	4.8
392.07678	18.4
422.14050	16.5
424.12122	9.1
425.12134	12.8
432.07391	11.6
433.14230	7.8
442.13107	21.2
450.13446	14.5
452.10922	4.8
454.67935	3.7
466.12860	19.9
482.12146	6.9
494.12552	86.0
510.12021	13.3
520.10187	19.0
521.17798	6.8
538.11481	100.0
539.10974	7.0
539.18109	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	538.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98835	100.0
65.00340	0.9
69.57854	1.7
69.58198	1.1
73.02938	0.9
74.09747	0.7
76.05293	0.6
82.94409	0.6
92.50739	0.6
106.72003	0.6
111.00901	1.3
112.98833	3.5
119.05020	0.8
136.98817	0.8
148.77551	0.7
149.78584	0.7
153.32143	0.6
161.06287	0.6
171.04520	1.1
189.00769	0.7
216.43199	0.7
220.07744	1.3
232.07642	1.1
241.05145	1.2
262.08737	0.8
268.06216	1.4
269.04599	0.9
276.06537	0.9
285.03360	0.9
314.07474	1.0
316.08182	1.0
320.05807	0.9
331.19406	0.6
333.20898	2.2
334.21201	1.4
376.09622	1.0
380.12833	3.6
422.14017	3.1
424.11627	0.9
450.13593	1.1
466.13409	1.0
469.10846	0.7
493.99042	0.7
494.12515	1.8
497.08258	0.8
538.11719	3.3
539.12317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	6.5
61.98834	62.2
65.67169	0.8
69.87382	2.0
71.01389	4.0
75.00897	1.2
85.02942	1.6
89.02456	4.8
96.96008	1.2
101.02454	3.2
113.02460	2.2
119.03487	1.9
133.02968	21.9
135.04552	12.8
139.69797	0.8
151.06087	2.1
161.02461	98.0
162.02805	2.2
177.05661	1.1
179.03519	12.2
221.04518	2.3
226.09096	0.9
251.05678	0.8
281.06607	1.5
389.70160	0.9
475.14603	100.0
476.15039	7.0
538.15240	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	538.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51103	1.7
58.50081	1.5
59.19148	1.8
65.00352	6.0
65.99861	5.0
66.78931	1.8
70.48685	3.2
82.03016	1.8
83.01435	2.7
84.99340	3.1
95.01405	2.8
96.04609	1.9
111.00884	18.4
112.98824	43.3
117.03470	1.8
120.00951	3.7
120.04572	2.1
124.04070	4.9
134.02574	4.3
135.03329	2.6
136.00462	4.4
136.98889	2.4
145.06509	1.6
146.02531	5.5
147.03346	3.0
149.01213	3.3
150.02037	2.6
155.10773	1.7
162.02061	6.3
163.02838	5.1
163.99918	2.1
164.03555	17.1
165.00674	3.8
171.04553	10.4
173.06206	2.2
175.02731	12.1
175.99959	4.7
180.08284	1.7
182.06213	2.1
184.07690	4.0
190.01541	2.5
192.03157	6.0
200.03552	2.8
203.02359	2.7
208.07855	6.0
215.07117	1.9
218.04659	7.3
220.07759	10.0
222.05745	2.0
226.08865	5.2
231.01759	13.0
232.02585	2.3
232.07826	6.2
240.06738	2.5
241.05267	3.0
242.08234	15.4
244.02641	4.2
248.07240	10.2
250.08690	4.0
252.06557	8.4
254.05850	2.7
254.08345	4.7
255.06873	5.7
258.04169	2.9
262.08804	11.3
267.06577	1.9
268.06424	8.0
268.09769	16.2
269.07108	3.6
270.07739	42.7
271.08398	1.9
274.08865	4.2
276.06714	13.0
278.08441	5.4
280.06119	13.0
282.07831	2.3
285.02863	4.0
289.07584	4.1
290.08496	4.8
294.07986	3.3
296.06046	4.0
296.09290	100.0
297.09781	3.8
302.08380	3.5
318.07971	6.2
320.05807	1.7
335.07986	29.9
336.08792	31.8
338.12006	6.3
348.08817	37.7
348.12802	2.2
350.10672	3.1
352.13486	2.8
376.08337	9.7
380.12979	43.2
380.17493	3.5
381.13773	2.6
390.10300	1.9
405.08743	7.2
406.09628	5.4
422.14056	37.9
423.14490	2.0
424.06366	1.8
424.12204	7.4
450.13861	8.6
466.12527	11.0
494.12369	13.2
502.13791	2.2
510.15619	9.2
520.14722	3.8
538.15466	71.3
539.15759	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	538.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.81634	0.3
69.12276	2.4
120.88162	0.4
141.67271	0.3
451.91583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	6.1
59.01385	90.3
61.98828	9.4
62.91340	3.8
69.07167	31.5
69.47568	3.7
73.02963	11.2
77.62495	4.3
78.95917	5.5
80.91664	4.0
83.05044	5.9
85.02974	23.1
87.04509	6.1
93.71888	5.2
93.78076	4.4
93.88477	4.6
94.03989	4.4
98.21837	9.6
99.03300	6.3
113.02457	5.7
117.03491	4.0
135.04521	4.6
174.42821	4.0
189.12862	8.4
196.02399	5.6
217.16040	5.2
219.13872	11.9
272.16455	11.0
289.14441	18.5
291.19687	13.4
332.48953	4.5
345.16977	5.6
350.14636	4.0
405.19220	100.0
406.19702	5.2
423.20367	28.1
482.06470	4.8
496.21887	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	538.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.1
57.33919	0.1
61.82270	0.1
72.92396	0.1
75.87540	0.1
78.03491	2.5
78.03932	0.2
85.02962	0.4
85.06605	0.2
87.04523	13.5
88.04848	0.1
94.03055	0.1
101.06088	0.3
113.06127	0.2
115.07647	0.3
115.33787	0.1
120.04561	0.2
122.02496	100.0
123.02048	0.1
123.02836	1.4
136.04039	0.7
146.02515	0.7
147.08202	0.3
148.07689	0.6
150.05579	0.1
174.05548	0.1
213.16507	1.4
248.09239	0.2
255.17537	2.2
273.18546	0.2
283.16989	0.4
317.17590	0.2
327.16022	0.7
338.63800	0.1
345.16977	0.3
350.17606	0.4
415.21353	0.8
422.19824	0.3
450.19186	0.5
510.25259	0.4
538.24493	7.0
539.24701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	19.9
71.01410	12.8
73.01023	2.2
85.02946	8.7
89.02457	5.2
94.28403	2.6
101.02439	8.9
107.05059	2.7
113.02421	9.5
137.13905	2.2
229.45827	2.4
312.57935	2.6
333.17120	3.7
333.20828	8.2
374.00372	2.5
458.52939	2.9
495.26181	100.0
496.26215	4.4
539.21393	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18306	0.7
57.03432	1.2
59.01386	9.7
69.03458	0.7
69.60108	2.5
71.01386	32.3
73.02936	1.6
74.74431	0.6
75.00847	0.8
79.95747	8.8
80.96524	31.9
83.01402	0.7
85.02957	9.7
87.00883	6.0
95.01404	2.4
96.96024	27.8
103.00388	4.1
113.02466	16.4
115.00388	23.7
116.38316	0.7
118.38270	0.7
119.71555	0.7
129.01936	1.0
138.97067	5.7
157.01402	3.0
166.96558	4.2
175.02495	40.8
176.02870	0.8
187.67868	0.7
192.98116	11.6
210.99229	1.4
236.97137	1.4
254.98190	100.0
255.98459	2.1
270.74545	0.7
282.66235	0.8
422.66739	0.8
423.52579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44505	1.1
57.03456	1.4
59.01389	12.4
61.61500	1.0
63.18924	1.0
69.72519	2.0
69.72901	2.4
71.01395	10.2
72.99316	1.0
75.00876	4.4
79.95721	1.8
80.96504	1.6
85.02963	19.5
87.00900	3.4
89.02463	1.8
92.95017	1.0
95.01407	4.5
96.96020	21.8
99.00886	4.9
101.02438	1.1
103.00390	3.5
110.00122	2.8
113.02460	41.9
114.07246	1.1
115.00396	2.5
117.01983	2.8
129.01990	1.5
135.58784	1.1
137.99635	1.5
138.97069	1.1
163.00378	8.1
165.35347	1.1
165.99068	2.5
167.03517	1.4
175.02487	19.2
184.05321	2.4
196.05273	2.8
210.99176	3.8
224.04851	2.0
239.03564	2.0
239.74106	1.0
254.98187	14.1
267.02985	2.5
268.03796	100.0
269.04153	2.4
283.06155	72.4
284.06522	2.2
343.11429	2.0
363.01874	5.6
375.14688	5.1
376.14832	14.2
377.15143	8.1
438.59552	1.2
459.09210	7.5
538.20380	3.4
539.20599	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	539.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.5
69.16430	3.1
71.01385	32.3
73.02947	2.6
79.95741	10.5
80.96523	30.0
83.01370	0.8
85.02956	9.9
87.00881	5.6
95.01397	1.8
96.96017	40.4
102.67966	0.5
103.00382	4.6
109.02994	0.6
113.02457	17.9
115.00380	25.0
122.97565	0.9
131.03467	0.7
138.97105	7.8
150.97076	0.7
157.01428	2.8
162.96983	0.8
166.96564	4.4
167.03540	0.9
174.97096	0.9
175.02493	43.7
176.02893	0.9
192.98128	9.7
198.17717	0.6
210.99232	1.7
236.97054	0.9
248.70013	0.7
254.98177	100.0
255.98520	1.7
263.58658	0.6
268.03699	1.1
410.41428	0.7
412.49170	0.6
539.21716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19518	2.0
59.01384	37.3
69.54902	7.7
71.01382	26.0
73.02955	2.8
83.01415	1.9
85.02957	4.3
87.00890	8.6
89.02448	40.8
98.21933	3.8
101.02466	21.0
113.02441	11.0
119.03492	9.8
131.03494	2.1
136.39708	2.1
143.03497	4.6
149.04539	2.8
161.04559	8.7
179.05643	46.6
179.82896	2.0
189.76054	2.3
221.06670	20.5
235.83415	2.0
323.09805	3.8
341.10803	8.1
377.08521	17.1
383.11557	2.7
397.70908	2.0
503.16238	100.0
504.16104	3.6
539.13806	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	48.9
61.98831	12.1
62.83715	4.4
69.22383	10.8
69.22807	18.5
69.25741	4.4
70.38555	4.2
71.01387	42.3
72.99333	9.1
73.02970	5.8
78.95901	23.7
85.02955	8.2
87.00895	9.7
89.02456	53.3
90.87894	4.0
92.92794	7.3
96.96964	5.5
101.02457	28.7
108.97345	4.1
113.02480	17.4
119.03514	13.4
133.71255	4.4
143.03442	5.1
145.79019	4.2
161.04572	8.9
179.05637	48.9
193.03616	21.1
221.06679	17.8
261.80673	5.2
287.19479	4.6
341.10934	14.4
354.79013	5.0
377.08429	16.3
383.11761	5.9
503.16205	100.0
539.13983	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75155	1.8
58.33727	1.8
64.01930	2.4
65.00331	20.0
65.99844	18.9
68.99807	5.7
69.16503	5.8
69.16910	4.7
71.01413	2.1
81.03458	2.8
82.00610	2.8
82.02990	2.4
90.03477	2.0
92.98495	2.0
92.99862	2.0
94.02978	6.6
95.01422	3.8
96.00941	3.9
105.02220	5.1
109.01689	5.9
109.02938	2.2
109.04092	3.8
110.02482	6.3
111.00907	2.9
112.98819	3.5
117.03436	5.0
118.08985	1.8
119.05042	2.9
120.00948	4.3
121.01710	5.5
122.02473	3.5
123.00910	1.9
123.03283	4.1
124.04078	2.2
131.05032	2.1
133.01740	10.2
133.04085	2.4
134.02495	19.2
134.99390	1.9
135.03258	4.2
136.00417	24.5
136.98807	15.7
137.01144	2.2
138.01945	2.8
141.07164	2.4
143.04979	2.2
145.01694	1.9
145.06578	3.5
146.02477	3.7
147.04536	6.8
151.00433	4.5
151.02768	4.4
155.04785	1.6
155.08636	2.1
156.04561	2.7
157.06567	3.8
158.02498	2.1
160.00369	2.2
161.01184	9.0
162.01982	3.6
163.99904	25.2
164.03633	2.2
164.98285	3.8
165.00679	21.3
171.04559	19.1
171.08249	2.2
175.05240	2.6
175.99873	8.4
176.03571	11.1
177.03090	11.8
180.08168	4.7
183.08119	7.1
184.05338	3.2
185.06036	2.7
186.01842	2.5
187.07584	2.9
189.00681	20.4
189.05609	6.8
192.03009	4.5
196.07637	2.0
197.05988	3.3
199.07648	6.9
200.03418	2.5
201.05609	4.3
202.01440	6.2
204.87047	1.9
208.07716	2.3
209.05995	2.9
213.05600	4.9
219.04175	4.6
224.07178	7.2
225.05563	6.0
226.05078	3.5
226.08569	3.1
227.07094	11.8
228.06847	3.0
234.09332	2.4
236.07236	4.0
238.29100	1.9
240.06664	9.6
241.05081	16.2
242.08206	36.4
243.04251	2.8
252.06705	2.8
253.05042	11.6
254.05658	1.9
255.06693	14.0
256.07245	2.7
264.06693	5.5
268.06161	100.0
269.01965	3.0
269.04453	10.5
269.06897	37.1
270.07724	99.6
271.06097	7.0
271.08481	3.6
278.08218	2.1
280.06171	20.8
282.07852	2.4
288.77521	2.0
292.06155	4.9
293.06937	13.6
294.07590	6.8
296.09189	2.0
304.09726	2.4
305.09222	2.9
306.07642	4.3
320.05670	2.2
322.07208	2.8
323.06659	7.2
325.08374	7.1
335.06445	2.3
336.07532	35.4
337.08356	5.6
348.08783	21.8
349.08435	6.8
362.07080	2.1
367.09564	2.9
373.08295	17.1
374.06644	3.9
377.08044	2.6
381.13132	2.6
390.13620	2.9
391.09378	70.9
392.08722	6.2
393.07623	2.2
406.09225	2.0
450.13361	4.3
467.12714	2.7
478.12671	10.1
495.14346	2.0
496.14249	1.9
503.13263	2.6
521.13635	30.8
522.12750	4.7
539.15289	15.6
540.13757	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.3
61.98832	2.1
62.45839	1.9
67.01902	2.7
70.18190	3.2
70.18536	3.1
71.01382	22.1
73.02950	3.2
79.95739	9.6
81.03455	3.9
83.01404	5.4
85.02975	4.5
87.00882	3.1
89.02457	9.8
90.77399	1.7
91.01915	4.7
95.01385	5.9
96.96026	11.8
96.99279	1.8
101.02441	10.9
107.01395	12.4
107.08676	10.3
108.02186	24.0
109.02990	3.2
111.00939	3.6
113.02464	6.9
115.04096	2.0
119.03493	2.5
121.02940	3.0
123.00900	3.9
123.04545	29.2
125.02465	5.4
136.01694	3.6
143.04951	2.1
149.02452	28.6
150.03220	2.3
151.00415	10.9
151.04036	2.0
152.01160	29.4
153.01901	5.6
153.05608	3.1
158.08717	1.7
164.04811	59.9
165.05582	3.1
166.02698	6.0
167.03497	71.5
168.03822	2.7
179.01093	1.7
179.07146	82.4
180.07494	3.3
181.05098	4.1
189.48898	2.1
200.00365	1.8
205.04840	2.0
227.09216	5.3
227.18059	20.4
236.97919	6.7
239.05704	2.4
271.17068	8.0
280.05884	2.2
283.02277	1.8
296.05365	5.7
297.06384	2.5
299.02020	2.4
300.02530	2.5
311.07739	80.7
312.08035	4.6
313.07126	2.7
314.04318	3.2
323.98392	2.1
334.50500	1.9
359.11465	2.5
377.16031	5.2
395.00635	2.1
451.23535	10.7
454.50653	2.0
503.17932	2.8
539.18176	100.0
540.18640	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	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37055	0.3
57.03444	1.3
59.01386	9.4
62.08182	0.3
63.96903	0.3
69.03456	1.9
71.01389	9.8
72.99326	0.4
73.02956	3.3
75.90115	0.3
80.02683	0.4
81.03459	1.1
82.95418	1.3
83.01414	1.4
85.02961	5.9
86.00105	1.0
87.00888	4.2
89.02464	1.9
95.01389	0.9
95.04990	0.4
97.02959	2.0
99.00898	0.7
99.04523	2.7
101.02443	5.6
107.05032	2.7
109.06595	0.6
111.00875	0.4
113.02464	3.9
119.05020	2.5
120.49033	0.3
120.99593	0.4
121.06644	0.6
124.01659	1.3
125.02473	0.7
133.06578	0.3
135.04515	1.0
135.08150	1.0
143.03514	0.4
147.11757	0.4
149.06148	0.5
149.09731	0.3
157.06689	0.6
159.08252	0.7
161.04552	1.1
161.06078	0.9
161.09642	0.3
173.09676	0.6
175.11298	1.7
187.11203	0.4
189.12849	1.2
191.14442	0.6
201.09152	0.4
215.10838	0.3
217.12296	0.5
219.13876	0.4
227.14465	0.4
229.15979	8.8
230.16356	0.6
233.11740	1.1
235.13318	0.4
236.86241	0.4
243.17535	0.8
245.15504	0.7
245.19119	3.3
253.15810	0.4
259.17081	0.3
261.18539	2.0
263.12842	0.5
271.17139	1.4
273.15042	4.2
273.18246	0.7
274.15289	0.4
287.16623	0.6
288.17294	3.0
289.18063	4.0
315.16183	0.5
315.19632	1.0
317.14008	0.5
317.17542	0.4
331.19067	0.4
333.17120	12.4
333.20605	0.7
334.17358	0.4
343.19153	0.4
377.15994	1.8
395.12643	0.3
396.70071	0.3
477.21207	3.2
495.22400	18.2
496.27408	2.1
516.57971	0.3
521.20288	4.3
539.21375	100.0
540.21716	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	539.2138
Annotation	Erizomycin
Peak:m/z	Relative Intensity
51.10838	0.6
57.03447	0.9
59.01385	9.6
65.00259	0.6
69.03463	2.1
69.64748	2.6
71.01389	9.9
73.02959	4.4
81.03457	0.8
83.01392	1.5
85.02959	5.8
86.80542	0.8
87.00872	5.5
88.39628	0.7
89.02453	2.7
95.01378	1.0
97.02948	2.3
99.00922	1.1
99.04530	2.5
101.02452	5.0
107.05042	3.3
109.02952	0.6
109.06628	1.0
111.00896	0.7
113.02454	3.6
119.05032	1.8
121.06631	1.0
124.01661	0.7
135.08203	1.6
135.98741	0.6
149.06117	0.8
149.09698	0.8
161.04526	1.4
161.06073	0.7
166.70854	0.7
175.11295	2.1
189.12872	1.7
191.14491	0.9
201.09267	0.9
229.15996	11.1
229.18054	1.1
233.11783	1.8
243.17564	1.8
245.19136	3.3
261.18604	2.2
271.16928	2.0
273.15021	4.3
273.18124	0.7
287.16763	0.9
288.17276	2.8
289.18085	3.6
315.15955	1.5
320.68381	0.7
333.17111	12.3
477.21368	3.0
495.22440	16.7
496.22827	1.1
521.20367	5.1
539.21362	100.0
540.21606	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	539.2139
Annotation	Tinosposinenside C
Peak:m/z	Relative Intensity
54.68975	0.9
59.01385	6.2
61.98836	20.9
63.94370	0.8
69.22886	4.8
71.01383	4.5
73.02953	1.7
85.02944	1.3
87.00880	1.7
89.02450	3.1
96.95988	2.8
101.02462	2.2
109.02947	1.1
113.02460	2.7
119.03489	1.3
123.04527	1.4
124.96982	0.8
156.88341	0.9
161.02470	2.2
161.04521	2.1
162.03171	1.0
167.03436	1.0
177.05592	2.1
178.40549	0.8
179.05614	5.3
189.05591	3.3
205.07265	1.0
221.06665	1.9
252.07901	1.6
253.08722	1.4
255.10339	7.1
257.09332	0.8
257.11920	5.1
263.07681	4.5
267.10312	7.1
281.11920	1.5
283.09665	1.4
285.11292	5.8
297.11478	0.9
298.11835	1.1
299.12717	1.9
303.12390	22.8
304.12869	1.1
311.12991	1.5
329.13919	14.3
330.14606	1.4
331.15500	1.8
345.13284	2.8
346.14331	1.3
347.15024	69.9
348.15302	2.1
349.16681	2.8
355.72345	0.8
359.15009	2.5
376.15228	3.9
377.16086	100.0
378.16309	5.8
436.09860	0.9
453.13031	1.1
454.38446	0.8
529.66547	1.1
539.21381	97.6
540.21722	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	539.2867
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
55.01883	0.9
57.03452	1.0
59.01384	100.0
69.03477	0.6
71.01387	15.8
71.41117	0.4
72.99323	0.6
73.02951	7.9
75.00874	0.3
83.01395	2.6
83.05038	0.6
85.02958	5.9
85.06609	0.6
87.00900	1.0
89.02448	3.7
95.01434	1.1
97.02972	0.6
99.00893	1.2
101.02452	10.6
113.02454	6.1
119.03513	1.6
125.02466	0.6
125.66839	0.3
129.02014	0.3
131.03545	0.4
143.03529	1.0
149.04630	0.3
159.03020	0.8
161.04576	6.1
169.10159	0.5
179.05655	0.5
203.05621	2.6
257.19122	4.2
258.19525	0.3
273.22266	0.9
291.23297	2.2
317.21170	0.9
335.22299	11.1
336.22711	0.9
414.55637	0.3
435.27429	1.2
453.28671	2.2
479.26486	4.1
497.27695	2.6
539.28778	17.8
540.28973	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	539.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
70.92857	1.7
71.01391	14.7
72.99322	0.9
73.02956	8.7
75.00894	1.0
83.01395	3.1
85.02966	6.0
89.02458	5.0
99.00899	1.3
101.02458	8.8
113.02468	5.2
113.03139	0.9
119.03504	2.2
119.05013	1.7
125.02425	1.6
126.60048	0.9
128.03540	1.2
131.03517	0.9
138.08650	0.8
139.54141	0.8
145.35684	0.8
161.04561	6.8
165.07547	1.0
203.05647	2.6
273.22153	1.6
274.47092	0.9
291.23401	6.3
335.22256	8.8
389.75571	1.0
400.58212	1.0
453.28766	1.6
479.26459	1.3
539.20435	1.0
539.28870	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	539.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.1
57.03460	1.1
58.00586	0.2
59.01385	100.0
60.01724	0.5
62.79436	0.2
69.03465	0.7
69.59837	0.6
70.95325	0.3
71.01390	15.7
72.99316	0.2
73.02956	7.5
73.63290	0.2
79.04089	0.2
83.01398	2.5
85.02954	5.9
87.00890	0.6
89.02454	4.3
95.01397	1.3
97.02958	0.5
99.00890	1.4
101.02456	10.4
113.02460	5.9
119.03514	2.1
122.90627	0.2
125.02469	0.7
131.03555	0.2
143.03506	0.8
149.04526	0.4
151.90529	0.2
159.03026	0.6
161.04576	5.8
163.77046	0.2
177.39389	0.2
179.05670	0.8
190.72200	0.2
203.05623	3.0
221.19200	0.4
255.46722	0.2
289.21704	0.5
291.23331	7.5
292.23621	0.5
335.22302	7.9
336.22571	0.3
355.55292	0.2
453.28717	2.5
479.26559	0.3
495.30084	0.3
497.27829	0.3
497.60782	0.3
501.64481	0.2
539.28693	9.0
540.29303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03444	1.7
59.01385	100.0
61.98827	1.4
69.32127	4.3
71.01387	16.3
72.74332	1.0
73.02953	19.7
75.07991	0.9
78.95908	1.0
83.01398	5.8
85.02949	4.6
87.04505	2.8
89.02464	7.7
95.01405	1.0
99.00898	1.4
101.02454	19.6
101.06116	1.2
103.19273	0.8
113.02471	7.3
113.06132	1.2
115.04005	3.3
115.07675	1.1
117.03491	1.2
119.03493	2.5
119.05013	1.5
131.03465	1.3
135.04509	1.6
143.03523	1.5
149.04553	1.4
161.04547	5.5
169.50885	0.9
179.05574	1.4
203.05603	2.8
205.15994	1.3
291.23398	5.3
317.21164	1.4
335.22217	3.7
454.79147	1.0
480.96680	1.0
539.29596	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	540.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	14.5
57.84177	2.5
59.01371	4.8
65.00323	11.9
65.12470	2.2
65.99839	3.5
68.58019	2.8
68.99821	2.9
69.17782	5.1
69.18187	8.1
83.01398	3.1
85.02966	3.9
98.10323	2.5
105.32757	2.2
108.02183	5.8
109.01690	3.7
110.02512	2.5
111.00914	18.9
113.02439	6.5
117.03438	2.9
119.05050	7.3
136.00414	7.5
136.98834	5.5
139.00377	22.7
157.06581	2.3
159.03270	3.3
163.99908	4.5
164.98286	12.9
165.00652	3.0
169.06624	2.3
171.04523	7.0
173.06047	2.7
175.99878	4.5
181.71469	2.2
185.06139	15.0
187.02765	7.8
201.05630	2.3
208.07677	5.4
225.05527	10.2
232.07713	2.4
234.09248	5.0
236.07231	3.3
240.06721	3.0
241.05087	3.4
242.08246	20.1
243.06418	2.5
249.07916	3.9
250.08653	4.4
252.06821	2.7
253.05098	6.4
254.05777	3.0
254.08316	5.1
255.06662	5.9
262.08759	3.4
268.06149	13.3
269.04474	29.3
269.06812	2.5
270.07742	25.3
271.06097	6.7
278.04761	4.3
278.08273	10.2
280.06229	5.4
291.09061	12.8
294.07599	3.7
296.05612	6.2
298.07202	5.3
302.08035	4.5
304.09647	2.8
306.07742	5.0
323.07938	2.5
340.13644	4.2
343.09729	3.1
346.07031	4.4
348.08505	2.7
376.30597	2.1
382.10498	3.5
382.14722	22.3
392.07431	4.2
392.12747	4.3
408.12436	3.0
426.13379	2.3
434.13937	3.7
436.12009	10.3
450.13513	100.0
451.13959	6.6
452.14923	4.7
453.12296	5.0
454.13025	30.0
455.13248	3.4
468.14185	4.5
478.12909	13.3
496.13943	36.9
522.12012	80.0
522.19910	3.8
523.12054	5.5
540.12830	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	540.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	16.0
65.00327	4.8
65.99848	1.3
70.29042	0.8
70.73711	1.3
81.03473	1.5
83.01401	5.8
93.03452	1.1
96.00906	2.6
99.11375	0.8
107.01392	2.0
108.00927	1.0
110.02495	9.8
111.00885	4.2
115.09223	0.8
117.03422	1.0
119.05037	10.1
125.02462	100.0
126.02737	0.9
126.27125	0.9
127.08525	0.7
136.00417	10.5
136.98801	1.5
138.01984	42.0
139.02354	1.3
143.05034	2.3
143.44815	0.8
145.06621	1.1
149.74449	0.9
151.00345	4.4
163.99940	8.2
164.01183	1.2
164.54808	0.9
164.98288	1.4
165.01894	1.0
171.04520	2.8
177.02031	1.5
180.02986	1.1
185.06029	1.2
187.07687	1.0
211.07579	1.2
213.05516	1.8
225.05658	1.0
240.06619	2.5
241.05052	3.1
242.08307	1.8
255.06673	23.8
257.44989	0.9
268.06168	36.1
269.04459	8.8
269.06802	1.1
270.07742	3.5
271.06131	24.9
280.06064	1.0
284.02463	1.5
284.05676	29.9
285.05905	1.6
298.07306	1.9
304.81909	0.9
306.07950	0.9
350.10022	1.1
352.08359	4.0
394.09286	9.9
450.13666	1.5
451.71695	1.0
478.13678	1.0
522.11816	1.8
540.13043	30.7
541.13422	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	540.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53490	0.6
59.01372	2.6
61.23108	0.7
61.98825	0.9
64.01928	1.5
65.00325	7.2
65.99849	1.0
66.19766	0.8
68.99830	1.4
69.18085	3.9
73.02937	0.9
80.37886	0.6
83.01416	0.8
83.47591	0.6
85.06601	0.7
96.00922	8.7
98.21895	1.5
99.97844	0.6
105.76958	0.6
108.00911	1.5
111.00843	1.2
119.04977	0.9
120.00851	1.2
122.58158	0.7
124.01679	1.8
136.00412	43.5
136.98793	2.7
139.00404	1.2
148.53566	0.7
152.01213	1.5
163.99910	34.4
164.98306	4.6
166.01382	0.7
168.64525	0.7
171.04475	1.3
173.06128	0.8
190.57430	0.7
198.05652	1.5
199.04036	0.8
203.85048	0.7
209.06090	0.7
212.07172	0.9
213.05531	0.7
224.07167	2.5
225.05684	0.8
226.05084	2.8
240.06630	2.9
241.05037	0.9
242.08199	1.3
243.06667	4.6
268.06155	100.0
269.04340	9.2
269.06662	1.7
270.07727	2.8
271.06119	11.2
298.07254	4.2
326.06659	2.2
328.55829	0.8
357.74557	0.8
496.13208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46132	0.9
65.00330	19.3
68.99812	0.9
69.58453	3.1
69.75539	0.8
73.59465	0.8
80.01431	1.3
81.03448	1.8
84.58537	0.8
88.95795	0.8
92.36928	0.8
92.99835	4.0
96.00919	3.1
96.99339	6.2
98.22579	1.8
104.01414	1.8
108.99336	1.0
110.00073	1.1
110.02496	2.5
120.99316	2.0
123.03271	2.1
124.00428	1.6
134.02492	2.1
135.03267	2.7
136.00412	4.0
136.98825	15.6
138.01988	1.2
151.02788	2.8
157.06656	1.7
163.02753	0.9
163.99866	2.6
164.98309	46.5
171.04524	1.2
173.06081	2.2
177.99075	2.7
191.99370	2.5
195.07864	0.9
197.06076	2.3
199.04051	3.1
199.07695	1.2
207.01761	3.5
213.05473	1.5
224.07088	2.0
225.05493	2.1
226.05138	0.9
226.08754	1.4
227.03635	1.8
228.06740	3.2
235.03877	0.9
241.05078	4.0
242.01018	0.9
242.08264	21.5
243.08568	1.1
252.06590	1.7
254.04858	0.9
254.08203	1.7
262.05011	1.3
268.06195	7.9
269.04575	100.0
270.04984	3.8
270.07709	37.7
279.82178	1.0
280.06107	3.3
296.05707	6.6
298.07224	37.0
299.07660	1.4
308.05713	3.0
324.05118	13.3
324.08600	1.6
326.06665	4.4
348.08652	1.1
392.07849	1.5
418.05685	1.8
494.12555	2.0
496.14154	3.0
496.90872	0.9
502.73233	0.9
522.12012	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	540.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64261	1.0
54.76630	1.0
57.03434	1.7
58.12296	1.1
63.02386	3.6
64.01926	2.5
65.00327	15.7
65.99854	2.2
68.99817	1.6
69.83819	3.3
73.26102	1.0
83.01402	7.1
93.03457	3.7
96.00910	5.8
96.04751	0.9
98.22644	1.1
107.01393	19.5
107.96482	1.2
108.00950	2.0
110.02448	2.4
111.00891	3.2
117.03439	1.3
119.05036	72.5
120.05330	1.8
125.02417	7.5
136.00417	46.3
138.01962	4.2
139.00381	1.4
141.07042	1.4
143.05035	3.4
145.02895	1.6
145.06578	2.0
151.00383	59.9
161.05949	1.7
163.99918	44.6
164.01115	2.8
164.24969	1.0
164.98317	2.6
165.00566	2.0
165.01929	3.2
169.01440	1.4
169.06651	1.7
171.04573	5.7
177.01918	4.0
180.03116	1.3
180.08211	1.5
183.08182	1.7
185.06104	4.2
187.04015	4.7
196.07698	2.1
198.05479	1.1
211.07639	2.7
213.05563	5.6
224.07210	2.1
226.04909	1.2
227.07144	2.7
233.81961	1.1
240.06653	9.6
241.05017	1.2
242.08270	1.3
253.05034	1.4
255.06638	100.0
256.06595	5.1
268.06165	79.4
269.04337	2.5
269.06583	3.5
270.05054	1.2
270.07687	2.5
271.06143	53.4
284.05661	79.9
285.05954	2.0
346.64545	1.1
352.08182	6.3
368.07501	1.5
394.09326	2.6
450.13574	4.1
454.12567	2.0
469.58200	1.3
496.13904	2.1
522.11841	4.5
540.13037	58.6
541.13348	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	540.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31507	1.3
54.17136	1.3
57.50686	1.3
62.26840	1.4
63.02396	4.8
64.01927	2.9
65.00333	19.3
69.92605	1.4
69.94748	4.8
83.01393	8.7
93.03460	4.5
96.00923	5.4
102.00826	1.4
107.01401	17.1
108.00945	1.7
110.02579	1.6
119.05041	61.0
125.02477	8.2
136.00415	51.4
136.98787	2.1
138.01997	3.3
140.95889	1.5
141.17175	1.6
141.18446	1.3
143.05035	2.1
145.06647	2.8
147.02005	1.6
147.04504	1.9
151.00388	58.8
158.03596	1.4
163.99913	46.1
164.01138	2.8
164.98293	1.6
165.01965	2.9
171.04558	5.1
172.71022	1.9
175.99805	2.0
177.01917	5.2
180.02963	1.8
184.16132	1.4
185.06119	3.6
187.03941	3.1
187.07715	1.8
196.07735	1.8
202.46693	1.5
211.07690	2.3
213.05653	6.5
226.05077	3.2
227.07120	2.8
229.04958	2.0
240.06609	7.3
241.04810	2.2
242.08290	1.5
255.06648	100.0
255.27792	1.5
256.06619	4.5
268.06161	73.4
269.04456	7.5
270.07742	3.1
271.06131	57.0
273.31937	1.7
280.06323	2.1
284.05667	79.0
285.06091	3.2
352.08328	4.7
368.07773	3.6
392.07751	2.6
394.09219	2.5
464.11353	3.6
508.10663	2.6
540.13074	61.0
541.13361	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	540.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44440	0.9
57.03454	16.4
57.15860	0.8
59.01389	1.1
63.02414	1.1
64.01917	0.9
65.00327	10.6
65.99837	3.1
70.91510	1.5
81.03464	2.8
83.01392	7.0
93.03471	1.2
95.01453	1.1
96.00912	3.4
96.96037	1.8
96.99285	0.9
107.01414	5.5
110.02505	8.6
111.00876	3.2
117.03465	1.3
119.05035	9.9
124.01729	1.1
125.02459	100.0
136.00412	15.9
136.98811	4.0
138.01979	38.5
139.00351	2.5
139.05489	1.2
143.05019	2.4
145.06606	3.0
151.00351	5.9
151.02808	1.1
155.05032	1.1
160.61771	0.9
163.00333	0.9
163.99908	14.1
164.01189	1.4
164.98305	5.6
165.01907	1.5
167.05051	8.4
169.06615	2.2
171.04520	3.9
173.06088	2.1
175.99864	1.0
177.01985	1.2
183.04521	5.3
185.06120	2.8
191.99341	0.9
192.02972	1.0
197.06079	1.4
211.04074	6.6
211.07608	1.3
213.05551	5.0
216.06631	1.2
225.05620	2.0
226.05151	1.5
228.06714	3.4
240.06711	2.8
241.05034	2.1
242.06117	1.2
242.08217	5.1
243.06633	10.8
244.07097	1.3
253.05026	1.7
255.06656	48.1
256.06775	8.4
265.21725	1.2
267.06613	1.3
268.06183	45.1
269.04517	14.9
270.05066	2.0
270.07727	11.3
271.06131	32.0
272.06519	3.6
280.06216	1.9
281.06564	1.9
282.07111	1.1
284.05667	34.1
285.06110	2.0
296.05719	1.7
298.07236	2.9
308.05582	1.2
312.01480	1.1
352.08279	4.4
382.14630	1.3
392.08289	1.2
394.09433	7.7
416.07928	1.5
438.09598	1.3
450.13474	2.3
478.13107	1.1
480.11032	10.0
496.13757	2.0
512.13666	1.3
522.11780	3.1
528.99030	0.9
529.65912	0.9
535.54993	1.0
540.13098	58.3
541.13226	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	540.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24060	1.4
57.03443	1.6
65.00335	16.4
65.99841	1.3
68.99810	3.7
69.32281	7.0
83.01389	1.4
92.99831	1.7
95.01396	2.5
96.00913	2.6
96.99306	1.7
98.21842	2.2
107.01429	2.2
107.08980	1.3
110.00153	1.6
110.02490	1.9
111.00883	3.9
119.04991	3.3
123.00845	2.7
123.03316	1.9
124.01706	2.7
124.54845	1.3
125.02457	4.0
127.03268	1.2
134.02452	2.0
136.00407	9.4
136.98808	12.9
138.02017	1.7
139.00423	3.4
145.06583	3.1
151.00372	5.3
152.01199	2.1
163.99910	6.7
164.98305	13.8
166.01465	2.3
169.06584	4.4
171.04512	13.3
173.06052	3.5
181.06610	2.6
185.06071	1.3
186.05649	1.7
197.06122	1.9
199.04031	2.6
199.07587	1.6
207.01590	2.0
213.05632	4.0
225.05602	4.3
226.08827	1.7
228.06779	1.7
240.06717	2.3
241.05084	34.2
242.08296	12.0
243.06616	7.7
244.02255	1.8
244.06895	2.3
252.06776	1.5
253.04990	2.4
255.06659	13.4
256.06937	5.1
262.08807	1.5
268.06180	15.2
269.04556	100.0
270.04935	3.9
270.07730	23.9
271.06079	26.1
271.08652	1.6
272.06537	4.3
280.06149	1.5
284.05716	4.6
286.03351	1.9
290.07764	1.5
294.07965	2.3
296.05814	2.9
298.07233	12.8
299.05518	1.9
306.07886	3.2
324.04913	2.2
378.09109	2.1
382.14636	2.2
450.13623	9.0
454.12982	3.4
464.11340	2.3
478.13147	16.4
479.12048	2.1
494.12418	4.7
496.13876	4.6
508.10452	3.3
522.11896	16.4
523.10284	2.2
540.12524	21.1
548.70868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55914	0.3
55.01896	0.4
55.08917	0.3
59.01375	1.6
61.98836	100.0
66.19014	0.3
66.42477	0.4
69.35861	1.1
69.36263	0.6
71.01388	0.8
77.47407	0.3
79.95735	0.4
85.94103	0.3
86.02514	0.8
96.96039	1.1
99.00925	1.2
111.00895	0.4
113.02460	0.5
160.05176	0.3
161.02525	0.4
165.05583	0.7
167.03554	0.9
252.99994	0.3
285.04208	1.2
301.03540	0.5
326.10626	0.6
354.09955	0.4
364.99506	0.4
370.09467	1.4
453.13162	3.8
454.13605	0.6
477.16483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.5
61.98839	0.9
69.70634	1.5
74.95504	0.8
94.02991	5.8
98.02509	0.8
108.02187	53.3
119.04951	0.6
143.05048	4.5
144.05846	0.8
152.03551	1.0
153.93295	0.7
171.04556	14.6
172.05328	7.3
196.02539	2.7
199.04033	7.5
200.04811	44.4
201.05217	1.1
241.08719	2.2
291.19513	1.2
329.21329	0.7
336.12442	100.0
337.12741	4.5
522.22107	0.8
546.00555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	47.4
61.98826	3.4
65.20643	1.2
71.01391	6.8
72.42587	1.3
73.02970	1.6
79.20288	1.2
83.01411	1.7
85.02956	1.7
89.02448	1.8
94.06635	2.5
97.01597	1.4
101.02426	3.6
107.03783	10.2
108.12431	1.3
112.04084	1.6
113.02457	2.9
114.05643	6.6
116.05084	6.3
117.05596	1.9
119.05041	3.9
122.02477	1.7
122.05228	2.3
122.06132	45.8
123.03281	3.9
124.04060	2.9
132.04567	6.9
133.02992	3.4
134.06178	2.1
135.04532	2.3
138.04648	2.1
138.05615	15.3
142.08746	1.6
148.07675	1.4
152.07188	100.0
153.01949	1.3
153.07535	1.5
158.02490	3.1
160.04065	29.5
161.04613	2.5
164.07210	5.4
184.06184	3.2
185.09317	4.6
185.99915	2.3
190.05139	13.6
192.06683	67.4
193.07005	1.7
204.06703	1.9
229.08328	2.8
255.11443	2.2
281.09344	5.5
293.04956	6.3
293.09305	2.4
311.05655	4.7
325.08115	1.8
325.11969	29.7
326.12360	2.0
337.04962	1.3
355.13037	15.0
357.14606	64.3
358.15195	2.4
402.14645	5.7
414.14404	2.9
432.15802	7.9
446.16992	3.9
464.18420	17.8
465.16904	2.9
468.17737	1.6
476.14560	8.7
481.28067	8.2
490.16187	3.6
496.21017	1.6
497.11316	1.9
499.29184	3.3
508.17288	20.2
522.18872	3.7
540.20258	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	540.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	47.4
61.98826	3.4
65.20643	1.2
71.01391	6.8
72.42587	1.3
73.02970	1.6
79.20288	1.2
83.01411	1.7
85.02956	1.7
89.02448	1.8
94.06635	2.5
97.01597	1.4
101.02426	3.6
107.03783	10.2
108.12431	1.3
112.04084	1.6
113.02457	2.9
114.05643	6.6
116.05084	6.3
117.05596	1.9
119.05041	3.9
122.02477	1.7
122.05228	2.3
122.06132	45.8
123.03281	3.9
124.04060	2.9
132.04567	6.9
133.02992	3.4
134.06178	2.1
135.04532	2.3
138.04648	2.1
138.05615	15.3
142.08746	1.6
148.07675	1.4
152.07188	100.0
153.01949	1.3
153.07535	1.5
158.02490	3.1
160.04065	29.5
161.04613	2.5
164.07210	5.4
184.06184	3.2
185.09317	4.6
185.99915	2.3
190.05139	13.6
192.06683	67.4
193.07005	1.7
204.06703	1.9
229.08328	2.8
255.11443	2.2
281.09344	5.5
293.04956	6.3
293.09305	2.4
311.05655	4.7
325.08115	1.8
325.11969	29.7
326.12360	2.0
337.04962	1.3
355.13037	15.0
357.14606	64.3
358.15195	2.4
402.14645	5.7
414.14404	2.9
432.15802	7.9
446.16992	3.9
464.18420	17.8
465.16904	2.9
468.17737	1.6
476.14560	8.7
481.28067	8.2
490.16187	3.6
496.21017	1.6
497.11316	1.9
499.29184	3.3
508.17288	20.2
522.18872	3.7
540.20258	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	540.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.98835	35.5
63.90149	10.1
71.01384	12.7
73.02944	13.5
77.32607	10.4
83.01398	13.5
96.42164	9.3
98.02481	22.0
101.02444	12.9
101.06085	74.9
113.02469	12.9
117.03482	77.3
119.05054	28.1
133.02983	13.0
135.04543	37.0
159.04565	17.7
171.07697	18.4
187.44728	8.9
196.02609	28.4
201.05557	25.9
227.03510	12.6
255.02945	15.2
300.02695	11.1
369.16965	10.5
405.16989	35.7
409.07587	10.8
423.18076	27.7
441.33713	10.1
479.20374	31.2
497.21536	64.0
540.21326	21.9
540.28876	13.6
540.71252	14.0
541.21149	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.98835	35.5
63.90149	10.1
71.01384	12.7
73.02944	13.5
77.32607	10.4
83.01398	13.5
96.42164	9.3
98.02481	22.0
101.02444	12.9
101.06085	74.9
113.02469	12.9
117.03482	77.3
119.05054	28.1
133.02983	13.0
135.04543	37.0
159.04565	17.7
171.07697	18.4
187.44728	8.9
196.02609	28.4
201.05557	25.9
227.03510	12.6
255.02945	15.2
300.02695	11.1
369.16965	10.5
405.16989	35.7
409.07587	10.8
423.18076	27.7
441.33713	10.1
479.20374	31.2
497.21536	64.0
540.21326	21.9
540.28876	13.6
540.71252	14.0
541.21149	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37896	4.8
52.97259	4.6
59.01374	12.8
61.98825	22.4
64.68912	4.4
69.32249	25.2
71.17217	4.3
74.17081	5.0
79.20821	4.7
82.02987	14.3
83.01379	5.5
83.05010	8.7
94.99159	4.6
96.04546	6.8
98.02492	39.8
101.91731	4.6
107.04250	4.8
107.19089	4.4
108.04571	24.9
113.32401	4.6
124.04068	23.4
126.05701	5.8
135.04539	5.6
135.16302	5.6
142.05029	5.0
152.03540	44.6
156.70325	4.6
165.12885	6.6
168.03023	19.1
170.04570	16.0
186.02315	15.2
196.02534	100.0
202.01776	7.4
214.03572	14.7
216.89819	5.4
248.02271	7.1
291.19742	63.0
325.18338	14.1
335.42612	5.7
395.84238	5.6
478.22229	8.0
522.21680	15.2
533.97705	5.7
540.22180	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	540.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
59.01383	2.2
59.02667	1.4
59.25899	1.9
64.96780	1.5
71.05042	4.2
71.43233	1.9
72.97539	6.6
80.05064	5.9
82.02985	12.0
83.01389	4.1
83.05042	6.5
86.02469	4.2
96.04588	4.7
98.02482	42.8
98.06122	8.3
101.91643	1.8
108.04556	23.2
113.04325	3.6
124.04047	16.1
126.05664	10.7
127.00368	3.4
140.01744	4.9
142.05147	4.1
152.03552	31.6
156.99402	1.7
165.12872	3.8
168.03029	20.4
170.04620	20.0
187.80562	1.7
196.02516	100.0
197.02881	2.6
214.03601	24.3
223.13438	2.0
226.50975	1.6
256.11359	13.0
291.19696	13.7
293.21201	2.3
325.18442	48.6
478.22559	2.8
522.21838	4.7
540.22882	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	540.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.13957	0.3
69.54719	0.6
69.55127	0.4
71.01398	0.7
73.02959	0.4
73.98350	0.3
74.99092	0.3
86.02500	0.9
92.11728	0.2
96.96039	2.4
98.22724	0.3
101.13334	0.2
115.02233	1.7
120.01228	0.3
123.64151	0.2
124.15018	0.3
125.00124	0.3
162.41084	0.2
163.48024	0.2
182.75505	0.2
240.60751	0.2
250.05539	0.3
343.13400	0.3
361.14609	0.3
393.17340	0.5
453.19424	1.3
474.55496	0.3
489.25421	0.3
519.38385	0.3
540.22705	24.6
541.23309	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	540.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
56.53826	0.6
57.03451	2.6
59.01388	100.0
61.98833	2.7
69.03462	1.1
71.01390	27.7
72.99307	1.2
73.02960	12.1
78.95939	0.7
80.42938	0.6
82.03016	0.8
83.01408	3.1
85.02959	11.9
86.02491	3.9
87.00903	1.6
89.02453	15.5
95.01380	4.6
97.02992	1.3
98.02512	1.2
99.00925	1.0
100.04118	0.9
101.02462	13.8
113.02464	31.9
115.22871	0.7
117.03498	1.5
119.03539	6.0
119.05025	1.2
125.02496	1.6
127.08832	1.4
128.03569	7.2
135.02214	0.7
143.03528	2.1
151.16377	0.7
161.04578	4.3
168.03064	1.0
171.07794	7.4
179.05750	1.3
196.02609	3.1
215.06773	1.0
230.95723	0.6
253.30994	0.7
271.58005	0.7
275.20364	1.7
291.19852	1.7
318.24612	2.3
325.18314	3.3
336.25580	2.1
412.21686	1.2
437.25439	12.6
455.26590	1.4
480.29596	7.7
498.30737	10.5
499.31174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
65.00317	2.4
78.95915	1.2
88.67084	0.8
96.96049	1.6
100.38646	0.8
136.98828	1.2
164.98296	2.6
255.23164	2.0
269.04605	8.1
270.07986	1.4
271.06088	1.4
298.07162	1.4
455.35303	19.8
456.35593	5.7
457.35645	0.9
458.36179	2.1
483.27124	1.5
540.33038	60.4
541.33606	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	541.0297
Annotation	8-Hydroxyapigenin 8-(2''-sulfatoglucuronide)
Peak:m/z	Relative Intensity
51.48906	0.3
52.01298	0.3
59.01382	3.6
60.95072	0.3
63.20683	0.3
67.01891	0.5
68.55954	0.3
71.01389	2.5
73.02941	0.4
74.13538	0.3
75.00861	0.4
79.95728	0.6
80.96528	0.9
85.02958	2.1
87.00832	0.3
89.02460	0.7
95.01374	0.9
96.96021	3.6
97.75995	0.3
99.00882	0.4
101.02457	0.6
113.02454	2.1
115.00352	0.8
117.03476	0.7
119.04989	0.9
139.00418	0.6
143.04712	0.7
145.02974	1.5
163.00380	0.4
166.99821	0.5
169.06544	0.6
171.04529	1.4
175.02518	1.5
185.06056	1.5
187.04019	3.5
189.05580	0.5
190.99867	0.5
192.00644	1.0
197.06110	0.7
199.04085	0.6
201.05736	0.5
213.05605	5.5
215.03474	0.6
217.05038	0.4
229.05019	2.0
239.03450	1.0
240.04230	0.5
241.05067	3.6
243.02847	0.3
254.98239	2.0
255.02666	0.3
257.04562	1.5
265.55664	0.3
283.02441	0.9
285.04062	100.0
286.04404	4.2
299.01776	0.3
364.99716	45.7
365.99924	1.6
461.07227	5.2
540.21704	0.9
541.03015	1.3
541.22925	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0298
Annotation	8-Hydroxyapigenin 8-(2''-sulfatoglucuronide)
Peak:m/z	Relative Intensity
52.98114	0.7
55.12868	0.8
59.01381	1.5
71.01388	4.3
79.95747	3.2
80.22993	0.8
80.96526	3.1
85.02953	2.2
87.00870	1.0
93.03478	0.9
95.80798	0.7
96.20613	0.9
96.96027	9.1
98.22694	1.6
110.00115	3.6
111.00902	8.2
113.02469	2.6
115.00378	3.0
119.05025	5.0
123.00876	1.3
125.02441	1.0
133.95776	0.7
137.99654	1.4
138.97057	1.4
139.00374	10.8
151.00397	4.2
161.02477	1.2
164.98245	1.7
165.01978	1.1
165.99065	4.2
166.99866	3.7
173.06052	0.8
175.02487	5.7
192.98071	1.3
195.04637	0.9
197.06042	0.9
199.04137	0.8
210.42653	0.8
223.04007	2.5
239.03545	2.7
241.00351	1.4
243.02957	1.1
254.98225	12.9
267.02963	1.0
269.89935	1.0
284.03290	14.7
285.04074	100.0
286.04346	3.7
299.05624	30.2
301.95709	0.8
343.20529	0.8
364.99741	50.6
365.99896	1.6
379.01453	2.3
408.42963	0.8
461.07175	9.7
541.07251	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	541.0659
Annotation	Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)
Peak:m/z	Relative Intensity
59.01337	1.0
65.00292	1.0
68.99804	0.4
69.39796	0.7
69.40202	0.5
73.02914	0.4
73.39157	0.2
74.25398	0.2
79.95745	7.3
80.96482	0.7
82.00588	0.7
85.02973	1.1
87.00847	0.4
89.02383	0.3
93.03429	0.6
95.01383	1.1
96.96021	7.2
99.00854	0.4
103.00431	0.3
110.00105	9.5
111.00903	4.5
113.02480	1.4
115.00330	0.6
117.03485	0.4
119.05031	4.7
123.00857	0.9
124.98775	0.4
125.02460	1.3
133.02931	0.6
135.04587	0.2
136.98824	1.2
137.02419	0.7
137.99603	5.7
138.97049	0.3
138.99341	0.4
139.00394	6.5
143.05008	0.4
150.97038	0.2
151.00352	2.2
153.01942	1.8
158.03612	0.2
161.02428	1.1
163.00288	0.5
164.01123	0.5
164.98288	1.1
165.01857	0.5
165.05566	0.3
165.99091	12.0
166.99858	1.8
167.04930	0.5
169.06529	0.5
171.04442	0.5
173.06036	0.3
175.02490	1.0
175.03864	0.3
178.99867	0.6
181.01501	1.2
185.05977	0.5
187.03941	0.7
188.04660	0.3
189.50417	0.3
190.99838	0.7
192.00575	0.3
195.04509	0.6
196.05200	0.3
199.03931	0.7
200.04739	1.0
211.04028	0.7
212.04829	2.0
213.05521	0.6
214.02707	2.0
217.05022	0.4
221.97310	0.2
223.04071	1.9
225.01881	0.5
227.03470	0.9
228.04384	0.4
228.98102	0.6
229.48364	0.2
239.03581	1.1
240.04201	1.1
240.97893	0.5
241.00246	5.5
241.04892	0.3
242.02336	0.5
243.02892	0.3
254.98219	2.5
255.02907	0.5
255.06685	0.3
256.03653	0.4
257.04572	0.3
267.02994	1.0
283.02368	1.1
284.03293	48.1
285.04059	52.3
286.04385	2.5
297.64767	0.3
298.04874	0.5
299.05624	100.0
300.05948	5.5
341.06512	0.3
364.99731	24.1
366.00110	1.3
379.01349	6.1
461.07318	2.3
461.12000	0.9
497.12967	0.4
541.06805	23.0
542.07111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76685	1.5
59.01372	2.5
60.72145	1.5
61.98826	1.4
69.27157	8.9
79.95743	3.4
84.02249	1.4
96.96011	4.9
110.00111	10.5
110.00746	1.8
113.02490	1.6
117.03502	2.7
137.99597	4.9
153.01947	2.7
161.02492	3.4
165.99065	11.5
212.04723	2.0
228.98047	2.9
241.00298	2.4
254.98317	1.7
283.02658	3.2
284.03314	46.0
285.03671	2.5
298.05017	1.7
299.05643	100.0
300.05969	4.7
352.72229	1.6
436.97421	1.5
442.43173	1.7
461.10892	33.6
462.11157	2.7
541.06683	19.6
542.06757	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	541.0661
Annotation	Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)
Peak:m/z	Relative Intensity
60.99317	2.2
63.24308	1.0
69.84906	1.0
88.98815	17.1
96.95988	2.9
98.22662	3.3
110.00134	10.9
110.00822	2.0
119.05038	2.7
131.82469	1.2
137.99571	6.8
161.02481	3.0
165.99092	13.6
194.16080	1.5
212.04836	2.5
214.02814	1.9
222.27768	1.2
227.03635	1.6
241.00310	2.7
255.03113	1.8
263.04346	1.1
283.02438	4.1
284.03299	55.5
285.03769	3.8
299.05630	100.0
300.05905	5.1
310.23236	1.2
331.06915	1.1
346.47278	1.2
366.51431	1.3
381.35559	1.2
394.79321	1.2
461.04398	2.4
461.10971	37.9
462.11221	3.1
474.47137	1.2
541.06677	18.0
542.06915	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	541.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36808	1.2
59.01387	12.1
60.90567	1.5
62.52140	1.6
65.00330	27.6
66.84624	1.5
68.99825	2.8
71.01390	3.9
73.02956	3.9
83.01393	1.7
85.02965	3.3
89.02438	2.4
92.99837	4.4
95.01402	3.0
96.00941	1.9
96.96016	5.2
96.99333	6.5
99.00833	1.4
101.02448	3.6
109.48245	1.6
111.00918	4.3
113.02468	2.3
119.05059	5.2
120.99324	3.7
123.04488	1.5
124.01637	4.1
136.00423	7.8
136.01620	1.4
136.98811	22.6
137.00551	1.8
137.02496	1.8
139.00395	6.7
143.05013	1.8
145.03004	1.9
149.99696	1.7
151.00247	2.2
152.01204	3.1
152.03638	1.5
157.06660	2.4
161.02464	2.4
163.99861	6.8
164.98306	42.0
165.00327	2.7
165.98810	1.4
166.99841	2.5
171.04503	3.4
172.38933	1.3
173.06102	4.0
177.01927	2.4
181.06703	1.7
185.06107	2.6
197.06108	2.8
199.04074	2.3
210.53606	1.5
213.05597	1.7
225.05591	3.1
233.00906	9.0
240.06572	1.8
241.05081	14.0
242.05434	1.7
243.06598	15.8
250.08597	1.5
253.05212	2.1
254.08142	2.0
268.06180	13.9
269.04468	100.0
270.04904	10.2
270.07822	4.6
271.06091	28.4
271.08624	1.7
272.06195	2.6
285.04028	5.4
292.09933	1.8
293.10110	2.6
298.07391	3.6
299.05374	7.3
310.10852	5.8
311.11145	6.2
378.09991	4.1
379.10309	6.6
379.21170	2.6
389.42303	1.6
392.11789	1.8
435.11963	5.5
497.08414	4.2
497.23978	4.7
523.11707	1.7
541.07166	4.5
541.14056	18.7
541.27045	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27080	0.5
59.50291	0.5
65.00328	22.4
68.33510	0.5
68.99828	0.5
69.15939	1.8
69.16354	1.5
71.25486	0.5
92.99828	4.0
95.01410	1.8
96.99319	6.2
98.22717	1.1
108.99330	1.5
111.00879	2.4
117.03432	0.6
118.25327	0.6
120.99290	3.0
123.00880	1.5
124.01688	5.5
124.98795	0.8
136.01645	1.5
136.98822	16.9
136.99872	0.9
139.00365	3.7
145.02908	0.7
147.00801	0.5
149.99553	0.8
150.58212	0.6
152.01198	4.8
157.06622	1.2
164.98302	41.0
166.99881	2.4
169.06633	0.6
171.04546	1.9
171.08182	1.0
173.06084	3.1
177.99055	2.2
181.06552	0.9
183.08159	0.6
185.06017	0.9
192.97760	0.6
197.05998	2.6
199.03995	3.2
199.07664	1.3
201.05650	1.2
209.06055	0.8
213.05566	1.6
217.01340	0.6
224.08942	0.5
225.05605	3.4
227.03470	2.1
227.07185	1.5
229.05136	0.8
241.05141	4.4
243.06630	18.3
253.05081	3.8
255.06638	0.8
269.04565	100.0
270.04935	3.4
271.06137	43.4
272.06488	1.1
297.04074	1.7
299.05627	13.3
309.03757	0.9
321.07745	0.6
325.03571	4.3
327.05148	2.1
349.07172	0.7
393.06204	2.2
417.06372	0.8
419.04068	2.3
453.12909	0.5
479.11682	1.5
485.11691	0.6
495.10913	1.3
497.12527	5.4
499.67197	0.6
523.10242	3.7
560.96777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1145
Annotation	Diphysin
Peak:m/z	Relative Intensity
65.00327	20.2
69.77354	0.8
70.03880	1.7
92.99821	4.1
95.01387	1.7
96.98737	0.8
96.99292	5.8
108.99297	1.1
111.00883	1.6
120.99319	2.2
123.00913	1.7
124.01654	6.9
124.98785	1.1
134.77945	1.0
136.01665	1.8
136.98816	17.3
139.00391	3.3
149.99564	1.1
152.01167	5.3
153.34825	0.9
157.06639	1.3
164.98300	43.1
166.99922	1.1
169.06580	1.2
171.04541	1.8
173.06081	4.2
177.99065	1.8
183.42690	1.0
185.05994	1.4
197.06146	3.0
199.04024	3.6
213.05687	1.2
215.07428	0.9
225.05618	3.6
227.03540	1.1
227.07187	1.8
229.05209	1.0
241.05023	3.4
243.06624	15.8
253.05008	4.2
269.04559	100.0
270.04913	3.5
271.06131	38.4
285.01895	1.3
297.03983	2.4
299.05609	17.6
309.04245	1.5
325.03467	4.3
327.05090	2.9
393.06168	1.9
417.06058	1.3
419.03918	1.2
495.10706	3.5
497.12344	3.9
523.10431	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	541.1142
Annotation	Isochamaejasmin
Peak:m/z	Relative Intensity
55.71426	1.3
59.01387	1.7
61.70789	1.2
65.00330	27.2
68.99812	3.2
69.10016	9.3
69.70351	1.2
83.01385	2.2
83.48933	1.6
86.61216	1.2
92.99815	5.4
95.01389	2.4
96.96012	4.7
96.99323	6.8
98.21865	2.0
99.00889	8.1
108.99320	1.6
110.00073	1.8
111.00878	5.9
115.05495	1.3
119.05053	1.6
120.99328	3.4
123.00852	3.0
124.01660	5.9
124.98806	1.9
127.00269	1.2
131.05026	1.4
134.06111	2.4
136.01759	1.2
136.98827	19.4
139.00395	5.7
143.05034	2.4
145.02986	1.5
145.06610	2.1
149.99644	2.6
152.01122	3.0
152.98363	1.9
157.06618	1.6
164.98315	43.3
165.00543	1.9
166.99821	1.4
169.06682	1.7
171.04523	5.3
173.06067	7.8
177.99149	1.9
181.06593	1.6
185.06029	3.2
197.06075	4.2
199.03992	4.6
199.07709	1.7
200.07195	1.5
201.05611	3.0
213.05574	4.4
224.04825	1.5
225.05600	5.6
227.03587	2.8
227.07208	1.9
229.05090	5.4
241.05099	5.2
243.06633	17.8
245.04572	4.4
247.07559	1.3
253.05104	5.0
255.06670	3.8
257.04645	13.8
267.06479	1.5
268.06024	1.5
269.04562	100.0
270.04922	8.5
270.07739	3.2
271.06107	57.0
272.06375	2.7
279.06696	2.2
284.70593	1.4
295.06027	5.8
297.03952	3.2
299.05557	15.1
309.03940	2.1
325.03418	3.0
327.04813	2.2
348.12460	3.7
349.12570	4.3
390.13321	5.3
391.13815	9.2
393.92230	1.4
417.06616	1.6
419.04376	2.0
495.10779	1.9
497.12122	4.6
497.18558	6.4
523.10577	4.1
541.11041	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	541.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.2
60.46531	1.3
61.98808	2.1
65.00328	2.2
67.01882	1.4
68.99813	1.0
69.72353	3.6
71.01366	2.7
72.97543	7.4
74.02458	3.1
82.02982	3.2
83.01391	1.5
84.04528	3.2
86.02012	1.5
86.02485	22.1
88.04015	1.9
89.02448	1.2
89.16444	0.9
91.03977	1.1
93.03471	8.9
95.05010	1.4
101.80410	1.0
108.02168	2.1
109.07668	1.2
111.00796	1.3
111.08123	1.1
113.02361	1.0
113.04308	2.7
115.07631	1.6
117.03477	54.5
119.05034	5.8
120.05502	0.8
121.02928	2.0
127.02211	2.2
127.05136	5.6
127.08784	16.8
128.03552	100.0
132.05777	1.4
133.06596	2.7
134.58333	0.9
135.00890	4.8
135.04521	7.8
136.01666	2.8
136.98813	1.0
137.02373	1.5
142.04535	1.1
143.04994	3.4
145.02933	1.2
150.03123	1.0
153.06685	6.6
156.05803	1.5
157.06505	1.6
158.03697	2.6
159.04507	9.4
161.02390	2.8
165.12799	3.9
167.14403	1.7
171.04614	1.8
171.07768	80.7
172.05287	2.5
174.03218	1.2
175.11198	1.4
179.04590	1.4
183.04523	6.7
185.02388	3.1
185.05971	1.5
187.03975	3.4
189.12772	1.3
197.05757	1.8
199.04005	1.8
200.04790	7.2
201.05594	21.2
211.13284	1.7
215.06738	10.2
215.14381	2.9
217.12331	1.1
221.06114	2.6
223.13318	2.6
227.01605	1.2
227.03540	14.8
228.04160	4.4
229.05002	4.2
231.13899	2.3
233.11795	1.5
235.13477	1.2
241.12361	1.2
255.00407	1.7
255.02982	24.0
256.03574	2.8
256.11383	10.5
259.13397	8.4
261.15002	1.6
275.07123	1.4
277.14484	11.2
284.03146	4.1
287.12888	5.9
291.16367	1.4
291.19641	11.1
301.14258	1.5
305.13977	6.2
306.14026	1.5
307.17075	2.1
322.71280	1.1
325.18408	38.3
326.18765	1.3
327.12323	1.1
329.13766	2.7
350.21588	1.2
351.15784	7.9
353.17105	1.3
369.17010	7.6
377.17212	1.7
379.17676	42.5
380.17746	2.0
387.15869	3.2
403.16846	3.1
403.67050	1.1
405.17099	24.4
406.16956	1.7
411.17981	1.4
412.21597	11.9
421.18726	5.3
423.17908	4.1
443.20865	1.2
449.15836	3.1
471.20172	2.0
479.20807	33.4
480.20749	2.6
495.20120	4.3
497.22330	7.9
513.21222	3.7
520.48389	1.2
523.19281	11.0
541.20532	85.5
542.20624	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	541.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01383	10.0
60.11309	1.3
61.98815	2.8
65.00318	4.0
67.01878	2.4
68.99820	2.1
69.83923	3.0
69.84290	3.0
71.01391	3.4
78.86960	1.3
80.75516	1.3
83.01395	3.1
85.02921	1.8
93.03468	21.8
98.21853	1.5
101.02435	1.5
108.02184	2.5
109.02972	1.2
111.00887	2.9
115.05491	1.5
117.03482	100.0
119.05032	7.1
128.03531	7.0
132.05791	1.2
133.06580	4.0
135.00871	6.4
135.04541	14.6
136.01675	2.6
136.98813	2.1
139.51302	1.3
141.03520	1.6
143.05020	4.1
145.02966	3.5
151.01666	1.3
156.05820	5.1
157.06587	4.5
158.03712	3.1
159.03358	2.1
159.04535	20.4
161.02441	5.7
165.12834	3.4
169.06546	1.4
171.04539	5.0
171.07784	5.2
172.05276	5.7
174.03206	2.6
182.07361	1.8
183.04510	12.3
184.05196	1.9
185.02492	8.4
185.06071	3.0
186.03152	1.6
187.04088	7.6
189.12865	2.5
198.06902	1.7
199.03970	5.3
200.04800	17.0
201.05582	37.7
207.13925	3.2
209.11684	1.5
211.04012	2.2
213.05574	2.0
215.14433	3.1
217.86238	1.2
221.06129	11.7
225.05685	1.9
226.06187	1.7
227.03485	22.5
228.04167	3.2
229.04938	4.5
231.08531	1.5
231.13847	3.2
233.11749	2.0
233.15434	1.9
236.04672	1.4
237.05656	1.7
239.06902	1.7
243.13959	2.7
249.15038	1.5
250.06369	5.9
254.21783	1.4
255.03009	41.0
256.03711	2.0
259.13480	9.1
261.15097	1.8
264.08130	1.4
267.13861	1.9
275.07111	1.6
277.14514	11.8
284.03314	1.7
285.14700	1.5
287.12912	4.1
301.14392	3.0
305.13950	3.3
307.16953	4.0
311.12912	4.8
325.18152	5.1
329.14075	11.4
333.18625	1.9
337.18143	9.2
343.16888	1.6
349.17935	1.6
351.15900	16.7
353.16467	2.0
354.91855	1.3
355.19095	2.3
361.17984	4.0
363.16016	1.8
369.17056	16.5
370.77423	1.5
377.17557	10.1
379.17615	29.4
387.16010	8.9
393.17023	1.6
395.18912	6.6
403.17691	24.3
404.17813	3.0
405.17099	48.7
406.17499	4.4
419.16757	2.1
421.18579	4.1
423.18048	5.2
443.20609	2.2
449.15964	3.0
469.22421	4.9
479.20789	75.1
480.21436	7.4
495.20035	3.1
497.15082	2.5
497.21887	41.1
498.22177	3.9
513.21594	6.7
514.22668	1.3
523.19696	16.0
524.19067	1.6
541.20758	83.7
542.21002	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	541.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	19.9
61.98831	6.7
65.00331	3.5
67.01905	2.7
69.32948	7.7
71.01389	3.4
75.93916	2.2
83.01360	2.8
84.84799	2.3
85.02937	2.9
86.02470	2.7
93.03468	20.1
98.02483	3.4
98.22639	4.5
101.02496	3.0
108.02143	2.6
111.00907	2.9
117.03478	100.0
118.03827	3.0
119.05028	16.5
120.12334	2.3
127.08808	2.1
128.03508	5.1
131.12706	2.3
133.06615	3.4
135.00905	7.9
135.04543	21.9
136.01677	3.0
143.05074	3.2
145.02972	4.0
152.03595	3.9
156.05806	4.6
157.06676	4.0
158.03746	3.1
159.04565	19.1
161.02446	6.1
169.06607	2.9
171.04538	2.4
171.07799	5.8
172.05321	6.0
174.03241	2.6
183.04523	15.1
184.05321	2.4
185.02480	7.9
185.06108	3.4
187.04036	9.1
196.00751	2.3
196.02563	6.3
198.06886	2.6
199.04018	4.3
200.04774	16.1
201.05618	34.1
205.16136	2.5
205.17957	2.1
207.13887	4.2
211.03992	3.1
213.09253	7.4
215.06798	2.8
215.14389	3.2
221.06027	13.3
224.10794	1.9
225.05528	2.2
227.03566	20.3
229.05003	8.5
231.13892	3.9
233.15477	3.4
236.04967	3.1
245.11845	4.3
250.06340	8.2
255.03008	37.4
256.03555	5.0
259.13416	6.9
275.07123	2.3
277.14523	14.1
283.13632	2.2
284.03159	4.3
287.12869	3.2
305.13922	3.9
307.17065	3.4
311.12845	5.0
325.18134	3.4
327.19861	3.3
329.13934	11.6
337.18094	7.6
351.15964	19.5
355.19162	2.6
369.17072	13.5
377.17499	8.6
379.17645	27.1
387.15869	7.9
388.16910	2.6
395.18774	3.2
403.17657	28.1
405.17114	54.4
406.17355	4.0
421.18701	4.4
423.18182	6.6
443.20432	3.7
469.22586	6.0
479.20810	73.5
480.20996	5.2
497.21979	47.2
497.29086	2.8
498.22424	3.8
509.18265	4.5
513.21082	6.1
523.19775	18.2
541.20868	93.8
541.28949	4.4
542.21313	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	541.2096
Annotation	Lancifodilactone M
Peak:m/z	Relative Intensity
59.01382	38.0
61.98820	4.2
62.91075	2.2
65.00301	3.3
67.01899	3.3
69.03468	2.5
71.01390	16.4
73.02950	7.8
83.01385	4.7
83.05037	2.5
85.02956	3.8
89.02464	8.3
93.03474	25.0
96.96018	5.2
99.00829	2.4
101.02441	7.1
107.01402	3.2
113.02441	6.2
117.03478	100.0
119.05054	8.0
128.03482	3.0
128.67813	2.3
133.06612	4.3
135.00922	5.1
135.04578	16.8
137.02457	45.6
143.04984	3.4
145.02957	3.3
156.05824	4.0
157.06544	3.5
159.04536	14.9
161.02431	5.0
161.04535	3.8
165.12822	3.0
171.04547	3.5
171.07813	3.1
175.03999	2.7
180.51225	2.4
183.04564	11.5
185.02405	4.6
187.03979	6.5
187.09998	2.2
200.04799	11.8
201.05579	32.6
211.04008	2.3
213.02037	2.6
221.06123	6.4
227.03470	14.6
255.03008	28.7
259.13364	7.0
277.14426	9.3
285.04117	4.6
307.17169	4.2
311.12878	2.8
333.18469	2.5
337.18054	3.1
337.23602	2.5
349.18124	3.7
351.16043	9.3
361.18048	3.6
368.36215	2.6
369.17126	8.2
377.17566	9.7
379.17621	14.6
387.15872	6.9
403.17914	13.4
405.17075	34.6
406.17404	2.9
411.18018	2.5
418.98355	2.5
421.17743	3.0
423.18292	15.2
439.97736	2.7
443.20895	3.0
469.22427	5.1
479.20715	36.5
480.20944	6.3
495.20111	3.4
497.21997	39.7
513.21332	6.0
523.19696	13.7
541.21082	63.7
542.21069	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	541.2117
Annotation	(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
Peak:m/z	Relative Intensity
59.01384	100.0
60.01731	0.6
60.06798	0.4
61.98842	1.3
63.02098	0.5
66.05553	0.4
69.17130	2.6
69.53768	0.4
71.01398	0.7
73.98337	1.4
79.90623	0.4
81.02801	0.4
87.00855	0.5
98.22641	0.9
115.02250	5.2
117.03460	0.9
119.05055	1.5
120.99698	0.8
128.03549	0.5
135.04553	0.9
167.89572	0.5
183.04492	0.6
203.03856	0.9
240.33217	0.5
343.13727	1.2
449.16354	1.6
453.19241	0.7
479.20987	1.2
481.19302	0.7
541.21173	65.1
542.21661	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	541.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14464	1.9
59.01378	3.6
61.98834	2.4
69.37666	9.5
71.05009	2.7
73.02962	4.0
73.99311	1.9
87.04527	8.5
97.06597	4.9
101.06093	86.8
103.39599	2.1
113.06097	48.8
115.04019	99.4
115.07658	82.3
116.07993	2.9
117.01888	2.0
119.08686	12.4
125.02454	7.0
135.04489	2.4
143.07152	39.7
163.07677	38.1
171.06645	21.5
226.39264	2.0
229.15993	5.5
255.13959	11.2
258.86301	2.1
273.14969	100.0
274.15253	4.3
308.08780	2.3
329.17529	2.6
445.22266	31.7
460.92203	2.0
493.02957	2.2
567.79321	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	541.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28163	4.2
59.01377	6.5
59.01671	3.8
60.06042	3.8
69.10305	20.7
69.34985	4.0
87.04523	11.7
94.24619	4.7
98.21878	6.2
101.06097	59.1
113.06111	28.9
113.56124	3.7
115.04025	79.2
115.04790	6.4
115.07667	79.7
119.08694	11.4
143.07172	28.6
163.07655	29.3
171.06683	19.8
229.16031	7.3
255.13898	12.1
271.52411	3.9
273.14972	100.0
286.60651	4.2
290.88519	4.5
318.62350	4.0
371.11301	4.2
445.22415	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.8
61.98832	2.6
65.93595	1.7
69.37141	4.0
69.37523	5.3
73.02950	3.9
75.76081	1.9
87.04522	9.6
97.02950	3.6
97.06585	3.0
101.06091	71.6
113.06094	42.0
115.04021	82.8
115.07661	71.3
115.08258	1.7
119.08695	10.8
121.02945	2.0
125.02438	7.4
129.05582	4.7
129.60716	1.9
143.07164	32.3
163.07669	35.5
171.06686	20.8
210.59906	2.0
215.10764	4.8
229.16011	5.7
245.15410	1.9
255.13823	13.0
273.14993	100.0
274.15356	2.4
329.17746	2.4
371.18112	2.1
445.22275	19.9
491.08746	1.9
541.22119	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	541.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85754	4.4
60.81518	4.6
66.44812	4.6
69.30377	21.9
87.04504	14.9
92.75363	4.6
97.06607	4.3
101.06083	67.5
109.87288	5.0
113.06082	21.1
115.04024	78.0
115.07655	70.6
119.08710	11.0
125.02414	4.7
131.83723	5.6
143.06174	4.8
143.07144	36.1
163.07677	34.5
171.06665	35.0
196.99271	5.2
255.13847	6.8
257.86215	5.1
273.15005	100.0
277.75980	5.0
284.41434	5.9
348.30215	4.8
445.22507	25.0
476.39725	5.7
541.21887	32.0
568.73401	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2297
Annotation	Nudifloside C
Peak:m/z	Relative Intensity
55.25116	2.0
59.01387	68.6
61.73573	1.9
61.98825	7.1
69.54466	8.6
71.01393	19.6
73.02944	4.6
83.01369	4.4
83.05001	3.2
85.02943	6.6
87.00858	3.2
89.02464	15.3
96.96017	3.2
98.22593	3.9
99.00888	2.6
99.04525	19.2
101.02456	12.5
107.05020	2.1
113.02444	8.8
115.87466	2.0
117.03449	2.4
119.03511	4.7
119.05005	4.8
119.27544	2.0
120.99693	9.5
122.37197	2.0
125.02444	5.3
167.03467	6.5
185.99927	4.9
207.06679	2.2
217.12222	3.0
235.13316	4.1
245.19040	3.3
273.18530	3.3
285.04123	16.0
291.19568	18.2
293.04965	12.9
317.17584	11.0
361.16595	20.0
364.99551	5.9
379.17679	11.7
461.06842	2.9
481.28650	2.4
497.10928	7.9
497.23758	14.9
508.44901	2.3
523.21844	5.2
541.22870	100.0
542.23425	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	541.23
Annotation	Jasnudifloside I
Peak:m/z	Relative Intensity
57.21951	0.6
59.01376	2.6
61.98835	3.5
63.00904	0.6
71.01403	2.0
71.18211	0.7
77.92693	0.6
79.95745	0.9
80.04708	0.6
85.02980	1.5
89.02467	2.2
95.01456	0.6
96.96019	3.1
99.00887	0.8
101.02439	1.5
111.00930	0.8
113.02451	1.0
119.03456	0.7
121.02982	1.6
123.04562	0.9
143.03499	0.7
151.00381	0.7
153.05632	1.3
163.07678	0.8
167.03545	1.5
177.05551	0.9
179.05571	0.8
182.02144	0.6
188.04831	1.4
189.05591	2.7
191.07211	2.0
191.10866	1.0
197.04649	2.2
203.07166	0.8
203.10760	0.6
204.07990	1.8
217.08739	1.2
221.97287	0.6
227.10805	1.6
229.12436	0.7
231.10341	0.9
233.08170	1.0
235.91197	0.7
241.12408	2.8
243.13765	4.3
247.09758	1.9
261.12210	0.8
261.14880	4.5
263.07877	0.9
269.11905	0.9
276.76660	0.6
282.16751	0.6
283.02499	1.4
285.04028	5.2
287.12912	2.5
287.16046	0.7
289.10785	1.2
298.05020	0.8
299.83286	0.6
303.12491	0.7
305.13956	17.0
305.17249	0.7
317.13864	0.8
330.14307	0.9
331.15540	7.4
347.15027	4.4
348.15582	2.0
349.16568	97.0
350.16782	4.6
361.16702	5.3
364.99713	1.8
377.15933	1.8
378.16364	3.1
379.17618	79.2
380.17813	3.9
457.43268	0.6
459.05591	0.9
461.11307	0.9
505.15784	6.0
511.21875	1.0
541.22882	100.0
542.23242	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	541.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.4
59.01382	3.9
61.98832	0.5
64.71922	0.5
71.01380	0.7
74.02467	1.8
82.03024	1.1
84.04546	1.6
86.02483	12.8
87.77552	0.4
89.02505	0.6
93.03454	4.7
93.03986	0.9
94.38620	0.5
96.51170	0.5
102.98597	1.0
103.73538	0.5
104.80387	0.4
106.42554	0.5
109.07738	1.1
117.03454	0.6
119.05038	1.1
120.01268	17.3
123.50309	0.5
127.05169	2.7
127.08780	9.9
128.03549	100.0
129.03891	1.4
129.86812	0.4
135.04604	0.5
137.02448	6.8
153.06735	6.6
165.12846	1.2
171.07767	32.7
179.04691	1.7
197.05646	1.1
213.03497	1.1
215.06720	5.9
231.04475	8.3
247.20679	0.7
249.05522	53.6
250.05876	1.3
291.19751	5.3
412.21677	1.0
541.26563	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	541.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	0.9
59.01376	1.5
61.95027	0.6
71.01399	1.2
72.97532	7.9
74.02471	3.3
80.10292	0.6
80.50735	0.6
80.92071	0.6
82.02988	2.6
84.04536	3.9
86.02480	18.7
88.04074	1.7
90.50657	0.7
93.03441	0.9
94.98477	0.7
98.21916	1.8
99.00940	0.7
100.07722	0.6
109.07724	1.1
110.46792	0.6
113.04302	2.8
117.03471	10.3
119.05045	1.8
121.02920	0.8
127.02267	0.8
127.05190	3.3
127.08797	14.5
128.03551	100.0
129.03897	1.2
131.73729	0.7
135.00873	0.9
135.04497	1.7
137.02496	0.7
142.04547	1.2
151.00386	0.7
153.06711	7.1
153.98013	0.7
159.04552	1.6
161.02397	0.8
165.12866	4.4
167.14410	1.4
171.07767	88.4
172.05307	0.8
172.08089	1.1
179.04579	2.2
183.04514	1.0
185.02534	0.7
187.04033	0.9
197.05627	2.4
200.04800	1.5
201.05585	3.6
211.13449	1.6
215.04875	1.0
215.06757	12.7
215.14522	1.0
223.13335	2.6
227.03477	2.3
255.03040	4.3
256.11404	8.5
259.13297	1.2
273.18848	1.2
277.14459	1.2
287.12790	1.0
291.19684	11.9
292.19962	1.2
307.17090	1.1
316.22824	0.8
325.18417	35.4
326.18857	1.6
350.21634	1.5
369.17197	1.0
379.17615	7.5
405.17145	4.2
412.16605	1.0
412.21719	12.5
413.21991	0.8
421.18210	1.1
430.62067	0.8
479.20801	6.0
495.19968	0.8
497.21609	1.3
523.19427	2.1
541.19165	11.0
541.26575	6.6
542.19983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81257	10.9
59.01379	55.4
61.98845	13.3
63.43641	10.8
69.74781	39.4
71.01388	24.0
98.02477	47.2
98.21931	21.0
101.02439	16.6
108.04583	23.2
119.05045	16.7
121.02924	13.3
124.04046	16.0
131.20435	11.4
135.04536	20.7
152.03529	30.1
160.84200	25.5
168.03043	18.1
170.04515	14.4
196.02550	100.0
197.02933	21.2
214.03651	18.4
233.77675	10.4
263.08707	13.1
291.19501	17.9
293.21146	12.4
326.18759	51.4
385.46924	9.6
437.25534	24.2
455.26434	19.2
497.27667	61.3
539.30377	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	541.3025
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
52.26552	0.3
55.01878	0.7
57.03455	1.2
57.33879	0.2
58.00621	0.3
59.01384	100.0
60.01719	0.3
61.98837	0.8
65.02555	0.2
67.89142	0.2
68.06490	0.2
69.03473	1.0
69.30498	0.8
69.30900	0.5
71.01389	22.0
72.99321	0.5
73.02953	4.5
75.00890	0.3
81.03473	0.3
83.01405	1.8
84.02224	0.2
85.02959	7.7
87.00881	3.7
88.98838	0.3
89.02454	15.1
95.01394	2.2
97.02931	1.3
99.00907	0.8
101.02454	11.5
113.02461	13.2
115.04035	0.7
119.03508	5.8
123.08224	0.8
125.02471	1.7
131.03557	0.9
143.03513	5.3
149.04634	0.5
159.03180	0.2
161.04572	3.6
179.05652	3.0
225.75835	0.2
226.05147	0.2
238.07553	0.3
250.11092	0.3
265.09998	0.4
267.11411	0.4
278.07065	0.4
279.07767	1.2
293.09262	1.2
294.10190	2.0
319.22800	0.4
326.12820	0.4
337.24133	0.6
434.17160	1.2
448.18982	0.6
463.27255	2.3
466.19827	1.4
478.16211	0.5
481.28094	17.8
482.28424	1.4
498.22940	0.4
499.29208	13.8
500.29865	0.8
510.18982	1.4
516.80420	0.3
541.22955	1.0
541.30396	0.5
542.22070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3025
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01883	0.7
56.38102	0.3
57.03446	0.9
59.01385	100.0
59.32621	0.3
60.01731	0.4
61.93861	0.3
61.98844	1.0
69.03470	0.4
69.20237	0.3
69.33352	1.0
69.33755	0.6
69.53941	0.3
70.02959	0.3
71.01389	11.4
73.02951	4.0
75.00898	0.3
78.91902	0.6
78.95941	0.4
79.95756	0.5
82.23340	0.3
82.95418	0.6
83.01412	1.7
85.02960	5.5
86.00111	0.6
87.00901	1.0
89.02454	3.1
95.01411	0.8
97.02973	1.0
98.21881	0.7
99.00909	2.0
99.04534	0.4
101.02449	6.6
107.03793	0.8
108.00286	0.3
111.00877	0.5
112.01724	0.4
113.02454	5.2
114.05605	2.3
115.04055	0.7
116.05105	0.4
117.03455	0.8
119.03532	1.0
119.05074	1.0
122.03790	0.4
122.06123	2.8
123.06433	0.4
124.01660	0.9
124.04117	0.4
125.02476	1.4
130.08707	0.8
133.03015	1.3
135.04581	0.6
138.05655	1.0
142.02711	0.5
142.08786	1.0
143.03502	2.4
146.06088	0.8
152.07193	4.6
153.07553	2.3
159.03001	0.6
160.04089	1.3
161.04581	4.7
163.04088	0.3
164.07214	0.4
185.09315	1.6
185.99950	0.8
190.05127	0.5
191.05649	0.3
192.06651	3.1
193.07007	1.5
205.07513	0.6
229.08437	1.1
293.04904	5.9
303.19885	0.4
311.05756	1.3
319.22763	0.4
325.12137	0.9
326.12329	1.7
327.13492	1.6
337.23831	1.9
355.12857	0.6
356.13541	1.1
357.14716	1.2
358.14841	2.8
361.16580	0.5
379.24548	0.3
433.16437	0.6
447.17917	0.5
455.10526	0.5
465.18759	1.1
466.17453	0.3
481.28131	19.2
482.28555	1.3
491.16724	0.4
497.11282	2.3
499.29208	9.4
499.36093	0.6
500.29739	0.9
509.17828	1.2
513.30780	1.5
541.14386	0.5
541.23181	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	541.302
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01880	1.3
59.01382	100.0
60.01723	0.9
60.27426	0.6
60.48025	0.5
69.03472	1.8
71.01386	24.3
72.99308	0.9
73.02952	61.1
75.50616	0.5
83.01394	15.4
85.02945	4.9
87.00856	0.7
89.02463	5.4
95.01398	1.5
96.96014	1.8
97.02967	1.6
99.00902	1.1
99.04507	0.8
101.02448	42.9
111.00889	0.6
112.01675	0.9
113.02462	9.0
117.03506	0.9
119.03518	2.7
119.05032	1.1
125.02460	2.0
129.01891	0.7
131.03529	2.5
135.04549	0.9
143.03519	4.2
149.04570	4.4
155.03511	1.3
161.04578	11.7
203.14595	0.5
221.06656	1.5
255.02914	1.3
258.48462	0.6
289.53214	0.6
309.24377	0.7
319.22864	1.3
337.23892	13.5
338.24295	1.3
479.21005	0.7
481.27960	4.1
482.51013	0.6
499.29202	5.1
541.22620	1.8
541.30237	26.4
542.29840	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	541.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89642	0.3
55.28268	0.4
56.82309	0.3
59.01393	2.4
60.99315	15.4
62.57501	0.3
62.75768	0.4
71.01381	0.7
87.00870	1.1
88.00395	0.7
88.98816	100.0
89.02452	11.8
89.99176	0.6
96.96029	0.6
102.39844	0.5
105.49287	0.4
113.02486	0.8
119.05058	1.0
201.30278	0.4
213.05586	0.4
285.04111	4.1
286.04840	0.5
344.16284	0.5
364.99738	1.7
396.35333	0.6
451.33331	0.6
541.22931	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	542.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.54428	0.5
59.01382	9.0
64.01921	2.1
65.00319	2.8
65.99849	21.5
68.99805	0.7
71.40433	0.6
72.82478	0.5
73.19626	0.4
77.69350	0.5
88.01942	1.9
89.99864	0.7
96.96014	1.1
108.00939	2.5
111.00907	0.8
116.01426	0.8
120.00938	1.0
132.00896	1.1
133.01733	1.4
133.27266	0.5
136.00508	0.7
136.98822	1.5
139.00357	1.1
143.63414	0.6
144.00917	0.6
146.02448	0.9
150.01973	0.6
155.55637	0.5
156.00899	1.6
159.03319	0.5
161.01164	0.7
164.98288	2.5
165.05580	6.3
169.06570	0.9
171.04529	3.1
173.06001	0.7
174.01984	2.2
175.99898	21.5
189.00655	2.5
194.06049	0.7
199.42700	0.6
199.99854	5.9
202.01384	1.2
208.07654	1.6
213.05464	0.8
218.00943	7.8
220.09409	0.7
224.07166	1.2
227.99402	17.9
236.07312	1.0
238.05130	2.2
242.08272	1.6
243.06699	0.8
244.07042	0.7
246.00461	9.1
252.06697	2.1
255.06325	0.6
268.06152	1.3
269.04541	4.9
270.04916	3.4
270.07736	2.9
271.06024	1.5
271.98380	4.3
272.06464	2.0
276.06851	0.7
278.08267	0.9
280.06168	54.3
281.06573	2.2
294.07800	0.7
296.05682	1.6
300.05606	0.7
304.06088	3.7
306.07837	1.0
308.09402	0.7
322.03763	0.7
322.07147	4.4
332.05664	21.4
333.05954	0.8
350.06696	21.6
350.10852	1.2
351.07190	1.4
376.04630	100.0
377.04953	5.1
382.14438	1.2
384.15302	0.8
392.07794	0.9
452.14133	2.1
454.13083	2.8
456.13647	0.7
480.13724	0.7
498.12598	2.0
524.12555	3.1
542.10480	4.4
543.11053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44982	2.3
59.01127	3.4
59.01387	46.9
63.64701	2.1
65.00333	4.9
65.99848	7.0
69.13533	14.0
78.95931	3.3
89.56023	2.2
89.99862	8.2
92.68733	2.0
96.96021	5.0
98.21895	4.6
117.03458	3.5
126.72470	2.3
131.57561	2.1
136.98772	4.3
161.63628	2.0
164.98299	4.3
165.98656	2.5
167.05072	3.7
171.04518	2.3
173.06096	7.6
175.99965	2.8
187.99881	4.2
190.06563	3.5
194.06126	6.4
201.97702	2.5
206.06055	5.3
218.06186	15.0
220.07645	3.1
222.05701	3.1
234.05597	10.0
235.06236	2.5
243.06821	2.7
246.05678	4.2
248.07414	3.0
252.06685	4.9
262.05099	18.3
263.05756	2.9
269.04498	11.9
270.04947	8.7
271.06113	3.3
272.06372	2.7
274.05148	2.8
278.04684	4.6
280.06125	7.9
290.04584	9.4
291.05032	2.3
295.10947	2.3
306.04123	4.5
318.04187	13.4
332.05795	3.5
338.11792	4.2
339.10034	2.5
346.03506	3.1
350.06900	2.7
364.04556	6.5
364.09326	3.2
366.11316	2.5
376.04401	6.5
378.11237	4.2
380.09094	4.3
393.74661	2.1
394.10794	7.8
406.10767	6.5
408.08844	9.6
424.12155	4.2
450.09879	84.4
451.10175	4.8
468.10873	30.1
469.11472	3.3
482.12253	3.0
510.11948	100.0
511.12296	7.4
528.13086	45.6
529.13092	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	542.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
65.00324	3.8
65.99541	0.6
65.99834	3.2
68.99810	2.0
69.05201	1.7
69.05613	2.8
81.03461	5.0
92.99825	1.2
93.90548	0.6
95.01406	2.5
96.04539	0.7
96.96032	1.6
96.99355	1.3
98.81271	0.7
108.04530	1.8
110.06154	0.9
113.69786	0.7
117.03513	0.9
118.02983	1.0
119.05002	0.7
120.00953	0.9
121.01727	1.0
121.48219	0.6
125.60281	0.6
131.05077	1.0
132.04565	1.1
133.01653	0.7
134.06122	1.8
136.00334	0.8
136.04063	2.2
136.98833	1.8
138.02002	1.4
145.06644	1.8
146.02536	0.9
146.06168	0.8
148.04057	0.7
150.05577	0.8
152.01114	0.7
160.04095	3.8
162.01973	2.6
163.00394	0.9
163.02740	2.0
163.99881	1.2
164.98334	6.1
165.00645	3.3
165.05566	1.9
165.98700	1.4
169.06566	1.2
171.04504	4.7
173.06023	1.0
175.99944	1.9
176.03394	0.8
178.05103	4.8
184.04155	1.2
189.00627	0.9
190.01379	1.4
200.03513	0.7
202.05119	1.0
204.03088	1.7
206.01195	1.4
209.06137	0.8
210.98769	0.7
224.07097	0.8
225.05659	1.1
231.06720	3.2
240.06825	0.7
241.05414	0.8
242.08279	2.0
243.06618	1.7
244.07047	1.4
246.04053	3.8
252.06857	1.1
253.05205	1.2
255.06767	0.8
257.04617	1.2
258.04858	1.1
259.04956	1.0
262.08771	0.8
263.98871	0.7
266.08209	0.9
268.06198	2.4
269.04501	8.9
269.07040	1.6
270.04916	10.2
270.07764	3.8
270.18411	0.7
271.06064	4.0
272.06393	4.3
280.06143	5.4
294.07791	2.1
296.05719	0.7
299.05597	1.1
300.05832	1.2
306.11359	0.9
308.09271	2.5
310.07272	5.2
322.10825	1.9
332.09232	5.1
336.08789	0.8
350.10355	100.0
351.10715	5.0
376.08322	16.9
376.12988	1.0
377.09021	1.0
394.09274	3.6
416.55353	0.8
498.12988	1.4
524.10974	0.7
533.49542	0.7
542.15027	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	542.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47979	1.1
51.51858	1.1
65.00330	9.5
69.61589	1.2
71.41724	1.3
77.37753	1.2
87.13496	1.1
96.96008	4.8
97.02959	4.6
107.01419	3.3
110.02470	2.3
120.00942	5.6
123.03262	2.6
133.01720	1.3
134.02454	1.9
135.03276	3.4
136.00432	3.7
136.98790	1.7
138.02055	1.4
139.04050	5.0
151.02710	2.0
163.99937	4.2
164.98302	5.4
166.01422	1.3
169.05188	2.0
169.06615	40.3
171.04575	2.4
177.00653	1.2
185.06146	1.4
187.07698	2.0
191.99316	5.9
197.06160	1.2
200.07030	2.1
201.09171	3.0
210.39671	1.1
213.05569	15.3
218.00960	3.5
225.05571	1.6
226.05048	1.6
228.06654	1.2
240.06650	4.3
242.08237	26.4
245.08205	60.8
246.08546	2.4
252.06604	1.8
253.05043	1.4
254.04649	2.5
255.01985	1.4
268.06122	14.0
269.04559	8.4
270.04916	6.2
270.07697	58.3
271.05905	2.7
271.08401	1.5
272.06369	1.5
296.05658	100.0
297.05917	3.4
300.05801	1.6
397.09900	1.3
510.12491	2.6
529.55829	1.2
542.14606	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	542.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
57.08406	0.6
59.01385	100.0
60.01725	5.9
61.70285	0.7
61.98844	4.8
65.29665	0.7
69.03481	0.7
69.43987	2.8
71.01391	20.7
72.01737	2.0
73.02960	4.3
83.01409	2.0
85.02972	6.6
86.03290	1.0
87.00887	3.5
88.98832	2.1
89.02450	15.1
89.02950	1.2
90.02785	1.9
95.01409	1.7
97.02978	1.3
99.00905	1.3
101.02460	10.3
102.02816	2.0
108.04559	0.9
110.06147	1.9
113.02453	13.3
113.03170	1.1
114.02822	1.9
119.03532	6.4
122.06156	3.1
123.08209	0.8
125.02464	1.9
129.66647	0.9
135.04640	0.7
143.03517	4.4
144.04616	1.8
146.06154	1.2
152.03630	1.0
161.04616	2.7
179.05658	2.2
203.05901	1.3
204.06664	1.8
205.07489	1.1
225.10445	1.7
226.11003	1.2
235.08876	1.1
237.06642	0.9
237.10353	1.0
238.07497	3.2
238.11206	1.2
250.11139	5.3
251.08414	2.8
252.09106	3.2
253.09843	3.8
264.05457	1.2
265.06378	2.6
265.09888	8.0
266.10562	4.0
267.11371	8.9
278.06985	3.6
279.07773	20.2
280.08362	1.9
293.09351	28.9
294.10123	35.1
295.10690	2.4
311.10468	2.5
326.09100	4.3
326.12848	7.2
329.11102	0.9
343.13074	0.9
358.11771	2.1
360.17261	2.8
372.17081	5.6
390.18481	2.6
416.16422	5.2
434.17288	21.7
435.17593	1.3
436.18887	3.1
448.18793	12.1
464.27618	1.2
466.19864	25.5
467.20462	2.2
478.16269	9.8
479.16641	1.0
480.21713	1.3
481.28305	3.4
482.28503	13.0
492.17923	1.4
498.22623	5.6
499.29416	2.7
500.29593	10.4
510.18893	33.2
511.19467	2.6
542.21637	13.4
542.29572	1.3
543.16284	0.8
543.24146	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	542.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13799	1.3
56.52999	1.8
59.01381	6.1
59.28077	1.3
61.98804	2.3
65.19279	2.2
69.26186	8.5
71.01409	2.4
89.00701	2.2
96.96054	2.2
98.22710	2.8
99.00918	1.7
110.06113	7.1
113.02473	1.6
115.02281	2.0
117.03492	2.1
122.02503	1.4
122.06119	10.4
135.04543	2.2
144.04611	4.3
146.06155	2.3
172.04045	2.2
191.17665	1.6
203.05905	2.7
204.06667	4.8
205.07379	3.1
211.08791	2.3
217.74936	1.5
223.08792	2.6
225.10358	3.5
226.11095	2.8
227.11792	1.7
235.08717	2.4
237.06664	4.5
238.07594	9.1
238.11171	3.0
249.10410	2.3
250.07347	2.7
250.11107	16.6
251.08145	9.3
252.09027	6.2
253.09843	12.8
264.05402	4.1
265.06238	11.0
265.09830	24.1
266.10638	10.2
267.11392	30.3
278.07013	9.7
279.07788	56.7
280.08383	2.5
283.02518	3.1
292.08524	1.7
293.09354	81.6
294.10129	100.0
295.10648	6.6
296.07870	1.5
298.09610	4.2
311.10379	8.2
315.34183	1.7
325.11957	4.2
326.09048	14.1
326.12717	14.0
327.13327	1.9
328.27414	2.0
330.12289	2.1
336.17197	2.0
348.17004	2.2
358.11780	5.7
360.17096	6.5
372.17139	14.6
374.15384	2.4
390.18207	9.3
404.16422	3.7
411.11322	1.8
416.16125	14.4
419.08173	2.4
434.11221	3.3
434.17236	62.7
435.17368	2.8
436.18982	10.7
446.08450	5.1
448.18839	37.2
449.19153	2.1
466.19855	69.0
467.20154	3.6
478.16226	31.6
480.21545	5.1
492.17880	3.5
498.22632	18.3
510.18839	89.6
511.19199	4.9
542.21442	31.6
543.22662	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	542.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53044	1.0
59.01385	8.6
60.99309	5.9
61.98837	81.4
62.98525	1.2
67.04282	1.1
71.01375	3.1
71.39923	0.9
78.79290	1.0
78.95909	2.0
85.02938	1.3
87.00900	2.6
88.98812	31.6
89.00696	1.5
89.02444	4.2
89.99153	1.6
96.96042	1.5
110.06138	2.2
113.02458	1.4
117.03484	1.5
119.05045	2.1
122.06121	1.6
135.04567	2.0
204.06631	1.9
204.68483	1.1
223.09047	1.2
225.10316	1.6
237.06688	2.4
237.10417	2.5
238.07559	3.4
239.11937	1.3
250.07265	1.3
250.11154	4.1
251.08289	9.5
252.09056	4.2
253.09789	3.6
264.05402	3.5
264.08939	1.1
265.06204	7.1
265.09818	19.7
266.10495	6.2
267.11389	17.6
275.08389	1.5
278.06781	6.0
279.07767	42.3
280.08246	2.6
284.02887	1.2
285.04089	4.3
286.04486	6.6
293.09351	71.5
294.10123	100.0
295.10477	7.2
297.08942	1.7
298.09872	1.4
311.10504	7.0
326.09070	15.9
326.12732	7.5
358.11642	2.8
364.99609	1.7
366.00043	3.1
372.17197	1.7
377.13943	1.4
380.17807	1.8
415.49371	1.2
416.16183	9.3
434.17252	68.8
435.17444	3.9
436.18951	2.3
448.18964	9.1
466.19894	16.4
467.20422	1.6
478.16260	37.0
479.16513	2.5
492.17758	3.1
510.18878	80.2
511.19263	7.3
542.22937	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	543.045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
62.10089	0.2
63.65865	0.2
71.01373	0.3
71.39909	0.3
79.95747	3.8
85.02950	0.4
96.96024	100.0
97.93147	0.2
97.95952	0.3
98.93912	0.3
113.92657	0.2
114.93427	0.4
116.62663	0.2
161.02470	0.5
269.04547	1.6
323.79291	0.2
325.00266	1.2
376.59427	0.2
379.01358	0.4
421.02151	0.2
483.02292	0.2
543.20410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
55.45339	0.7
57.03436	1.2
59.01384	7.9
71.01385	17.4
72.99327	0.7
73.02943	2.0
79.95735	7.6
80.96520	11.8
83.01385	1.0
84.62874	0.7
85.02957	6.0
87.00887	3.9
87.01343	0.6
89.02470	1.3
90.82262	0.6
95.01402	2.0
96.96018	100.0
97.02957	1.4
99.00893	5.1
101.02454	1.6
102.65582	0.6
103.00372	1.4
108.33688	0.7
111.00874	1.6
113.02454	7.7
115.00375	8.9
119.05040	1.6
122.97614	0.9
123.00916	3.5
125.02464	6.0
137.02434	0.7
138.97073	11.8
139.00380	3.0
141.01956	45.2
142.02263	1.1
145.02876	0.8
147.04716	0.7
150.97034	3.2
152.98619	1.2
157.01556	1.4
161.02499	1.8
163.00386	4.7
166.96547	2.0
167.03537	0.6
171.04538	1.3
175.02481	14.7
190.99806	1.6
192.17641	0.7
192.98112	1.4
197.04468	0.7
210.99176	9.4
223.07626	1.1
254.98175	83.1
255.98413	1.3
267.06598	8.0
268.06970	0.7
269.04608	0.9
287.05603	12.9
295.06183	16.2
296.06155	0.8
319.06119	0.8
337.07260	1.3
367.01266	10.6
395.99283	0.7
463.08945	8.3
489.58121	0.7
499.10419	1.0
499.25229	1.3
530.99109	0.8
543.04657	6.2
543.24658	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
62.66653	0.2
79.95743	3.3
93.03458	0.2
96.96019	100.0
97.93126	0.2
97.95927	0.3
114.93446	0.5
135.04512	0.3
137.02423	0.9
138.02911	0.3
161.02446	0.2
161.35867	0.2
170.79741	0.2
179.03474	0.3
201.72035	0.2
234.79633	0.2
269.04587	1.2
294.09830	0.2
295.21970	0.2
325.00470	1.2
351.01965	0.3
379.01563	0.6
445.07864	0.6
483.02820	1.0
488.82309	0.2
543.21338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66283	0.2
61.24257	0.2
62.03645	0.2
68.57255	0.2
69.30087	0.6
69.30488	0.5
71.86793	0.2
79.95741	3.5
83.77967	0.2
96.96019	100.0
107.80932	0.2
116.96957	0.2
194.99007	0.2
269.04681	0.6
312.24301	0.3
340.08374	0.3
345.89441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0455
Annotation	Quercetin 3-(3''-sulfatoglucoside)
Peak:m/z	Relative Intensity
50.59873	1.1
56.69907	1.0
57.24541	1.1
65.00339	1.9
69.27620	4.3
79.95756	2.7
95.01415	2.3
96.96021	4.3
97.33115	1.1
98.22610	2.8
111.00923	8.6
111.41663	1.2
123.00912	2.2
124.58057	1.5
135.04538	3.8
139.00392	13.4
151.00334	1.9
164.98126	1.4
165.01964	3.1
166.99870	2.3
178.99742	1.3
207.22934	1.1
211.03955	1.7
215.03624	1.2
236.97891	2.4
239.03506	1.5
283.02478	1.8
285.04245	1.5
300.02643	1.5
301.03561	100.0
302.03885	4.4
380.99109	3.2
463.08804	12.7
543.04541	39.3
544.04803	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53324	2.1
57.16593	2.0
59.01386	11.2
63.73293	2.2
67.04803	2.1
69.27734	10.7
69.28157	3.5
71.01398	16.3
72.99323	2.8
73.02967	2.4
74.99135	2.3
78.91909	7.2
78.95907	2.5
79.95776	6.5
80.96537	9.0
85.02964	10.2
87.00882	11.7
89.00687	14.4
91.75216	2.2
95.01417	4.3
96.96025	100.0
99.00901	3.7
113.02451	15.8
115.00402	10.1
115.02272	2.8
119.05042	21.3
126.36907	2.5
126.51412	2.2
132.70515	2.2
135.08206	3.1
138.97070	10.7
139.00395	3.8
145.03026	3.3
150.97063	2.8
153.01962	13.0
163.04094	4.0
166.96501	2.6
166.99908	9.9
175.02516	20.0
176.03951	3.2
181.01447	3.7
188.52939	2.4
190.99937	2.6
193.01540	2.8
196.81850	2.2
210.99225	8.4
254.95457	4.8
254.98167	97.3
255.98526	3.2
257.69244	2.8
269.04611	3.2
285.04211	3.1
287.05658	50.0
301.03690	6.5
311.05710	5.6
367.01233	14.1
442.24304	2.4
463.08951	8.9
543.04608	15.7
543.17639	5.1
543.24939	5.2
545.26648	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35866	0.6
57.03442	0.8
59.01391	3.6
63.68325	0.6
71.01386	12.8
73.02941	0.7
79.95748	6.6
80.96528	5.6
85.02952	3.7
87.00880	3.0
95.01389	1.0
96.96022	100.0
103.00367	0.9
113.02457	6.8
115.00386	7.8
119.05016	2.4
120.84875	0.6
122.97604	0.7
138.97089	8.2
139.00378	1.7
141.01945	1.2
150.97110	3.0
152.98666	1.7
153.01970	2.9
157.01393	1.4
165.99092	0.8
166.96640	1.0
166.99840	2.3
175.02504	15.1
181.01375	0.9
192.98155	0.6
210.99196	9.4
254.98184	87.7
255.98495	1.4
284.03290	2.4
285.03903	2.6
286.04010	2.2
287.05664	7.9
298.60629	0.6
299.05630	6.4
300.05948	1.8
301.03397	0.9
301.06296	2.0
367.01413	3.0
463.08847	1.6
504.53406	0.7
543.04602	12.0
544.05402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73994	1.5
59.01378	7.1
59.95603	1.6
70.70436	2.3
71.01389	10.7
73.02930	2.0
78.91873	1.8
80.91688	49.2
82.95423	32.3
85.02951	10.0
87.08942	1.5
88.35002	1.8
89.02457	2.5
95.01395	3.7
97.02963	4.1
101.02491	1.7
104.68983	1.6
113.02454	17.8
123.04540	9.8
125.02441	1.6
135.04553	11.6
150.03242	2.9
153.00563	2.0
153.05588	23.6
161.04553	1.6
163.02509	1.7
193.03592	5.0
205.01181	3.9
207.02667	8.4
234.37280	1.6
235.04501	10.8
258.15057	1.8
290.55185	1.7
319.08084	22.2
337.08746	13.6
383.96698	1.7
415.44736	1.7
461.16690	21.2
483.14304	100.0
484.14316	8.7
531.88831	1.8
558.01270	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	543.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40189	0.7
59.01387	45.0
61.98832	1.6
63.32665	0.8
65.00341	1.1
69.03452	1.5
70.53017	0.8
70.53336	0.8
71.01389	9.5
72.99323	0.9
73.02951	6.7
82.95419	1.0
83.01396	2.1
85.02962	2.2
87.00931	0.8
89.02449	5.4
93.03480	6.5
93.90419	0.7
95.01387	1.7
95.05058	1.0
97.06580	0.7
99.00861	1.0
101.02454	6.9
109.02972	1.0
113.02476	6.6
117.03484	36.8
118.03826	1.1
119.03532	2.5
119.05036	12.7
121.02953	1.0
122.02487	4.1
125.02499	0.9
131.03523	0.9
133.02989	2.5
135.04536	2.7
136.98869	1.4
137.02448	1.7
140.43817	0.7
143.03519	0.8
143.05013	0.8
145.02986	1.3
159.04555	3.2
161.02489	2.8
161.04593	2.2
161.06052	0.9
171.04555	1.0
185.06104	1.4
187.04091	2.4
187.68810	0.7
201.05621	2.7
201.12958	1.2
203.10825	1.3
205.12337	1.2
211.13435	1.8
213.05457	1.5
217.12294	0.8
219.13614	0.7
221.11929	1.0
227.03607	1.5
229.05096	2.3
231.10297	1.6
233.11922	1.0
235.13220	1.0
237.05617	2.1
239.07277	1.4
241.05072	1.1
245.11914	2.0
250.06395	1.0
253.05037	2.0
255.03014	6.1
255.06627	1.1
257.04626	5.0
261.14908	0.9
263.12808	3.6
265.05225	1.4
266.05707	0.9
267.06674	1.3
283.02618	2.0
287.12802	2.3
289.14587	1.1
337.16824	1.3
345.14886	1.1
361.14371	2.1
363.16019	3.0
377.14023	0.9
379.15347	1.7
381.09818	5.9
381.17227	1.3
382.09766	0.8
389.14163	1.0
395.14825	0.8
405.15463	1.2
407.14810	4.5
449.52844	0.7
451.17599	2.6
467.17096	1.4
469.18631	4.7
479.17496	0.9
481.18747	5.7
483.29654	3.1
499.19788	3.6
501.30814	2.4
511.16150	2.7
525.21185	2.8
543.15686	5.2
543.22461	100.0
544.22412	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	543.2242
Annotation	[2'E,7'R(S)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)-8-oxo-verrucarin A
Peak:m/z	Relative Intensity
59.01383	7.6
69.03424	0.7
71.01389	1.5
72.99300	0.6
83.01413	0.6
85.02973	0.6
91.04018	0.8
93.03466	6.0
95.01379	1.1
95.05049	0.7
95.86287	0.6
113.02515	0.7
117.03481	36.0
117.05604	1.9
119.05058	2.1
121.02953	0.8
123.04494	0.6
133.02917	0.8
134.03836	0.6
135.04567	1.1
137.02505	1.0
145.02974	0.9
148.05284	0.6
159.04524	2.4
161.02472	1.7
163.07605	0.5
183.08022	0.8
185.06142	1.2
185.11911	0.8
187.04068	1.6
199.11208	0.6
201.05588	1.8
205.12299	0.9
210.06947	0.6
211.07648	0.6
211.13417	1.7
213.05658	1.8
217.12355	0.6
219.14038	0.6
221.11818	0.9
222.06908	1.1
223.13591	0.7
227.07135	1.0
229.04944	1.3
235.13435	0.9
237.05646	1.4
241.05124	1.4
241.62875	0.5
245.11847	1.7
245.15685	0.6
253.05167	1.6
255.06717	1.4
257.04675	4.4
263.13000	3.8
265.04974	1.2
267.06732	0.7
271.13385	0.9
285.15253	0.5
287.12915	1.8
289.14374	1.1
305.13870	1.1
313.14133	0.7
337.16882	0.8
345.15152	1.0
361.14127	0.7
363.16202	2.4
377.13858	0.6
379.17749	0.9
381.09833	0.8
389.13748	0.8
395.14777	1.5
405.15659	1.0
407.14926	5.3
429.19351	0.6
451.17715	2.4
469.18668	4.9
481.18765	5.1
499.19897	3.0
525.21460	2.5
526.22522	0.7
543.22461	100.0
544.22772	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	543.2244
Annotation	[2'E,7'R(S)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)-8-oxo-verrucarin A
Peak:m/z	Relative Intensity
51.03570	0.9
56.66496	0.9
59.01386	8.3
61.98835	1.0
67.33627	0.8
69.03468	0.9
70.32001	0.9
71.01392	1.3
73.02945	1.4
85.02949	1.2
87.00874	1.0
89.02464	1.3
93.03476	5.2
95.05051	1.3
107.01352	1.0
113.02456	1.9
117.02650	2.1
117.03484	37.7
119.05025	4.2
123.04539	1.1
135.04530	3.0
137.02441	2.5
147.04520	0.9
151.00595	1.3
154.05063	1.0
158.03714	1.0
159.04559	2.5
161.02429	3.2
161.06013	1.1
167.03493	3.0
175.07756	1.0
201.05585	3.3
221.06306	1.0
227.07195	1.2
229.04987	1.8
237.05605	2.3
245.11900	1.8
253.05048	2.0
255.06754	1.6
257.04593	3.9
263.13074	4.7
265.05139	1.4
283.02646	1.8
287.13068	1.2
293.21439	2.2
305.13901	1.7
337.07187	1.4
361.14569	1.2
363.16037	1.4
379.15552	1.1
381.09900	2.9
381.19003	1.9
381.63858	1.0
395.15021	1.4
405.15778	2.6
407.14935	4.9
451.17953	1.6
469.18671	4.5
481.19009	3.2
499.19797	3.5
525.21552	3.6
543.22504	100.0
544.22894	6.2
558.11859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.7
59.01386	17.5
61.98832	5.6
68.99835	2.5
71.01401	5.2
71.43176	1.7
73.02943	1.7
77.23006	1.3
77.23441	1.2
83.01360	1.7
87.04570	1.2
89.02463	2.5
93.03476	5.6
95.01442	1.5
101.02473	3.4
108.02129	1.8
109.06705	1.4
110.00122	4.4
113.02504	1.6
115.68382	1.2
117.03471	6.1
119.05039	100.0
120.05354	2.4
121.02989	4.2
123.02686	1.4
128.03561	6.8
140.54758	1.2
143.05006	1.5
145.02969	19.2
146.03291	1.4
150.03197	1.8
153.09206	1.4
161.04732	2.7
161.06075	18.8
165.12852	5.1
171.07831	3.0
187.04048	2.8
189.12939	2.3
191.14449	2.9
197.11864	3.6
199.25737	1.4
201.11429	1.8
203.07111	1.6
207.13940	16.0
209.11807	2.3
209.15524	3.6
216.04233	1.7
217.12355	1.7
233.11894	3.9
235.13492	6.8
237.11372	1.8
251.13023	2.1
253.14577	7.2
257.04456	2.9
259.13406	8.2
261.11423	3.1
261.14972	2.0
277.14429	11.8
279.12347	15.7
303.15875	1.9
306.41339	1.4
327.18167	5.8
351.18042	8.2
353.16086	65.6
354.16589	2.8
355.18277	1.6
367.12051	2.2
377.19717	1.7
379.17770	2.7
397.18701	6.6
405.15665	3.6
423.16537	6.0
445.22351	4.0
445.43860	1.5
471.24033	13.1
473.21860	16.9
483.29605	2.9
501.30325	3.4
525.27460	2.7
543.22314	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	543.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19858	1.3
53.45974	1.2
57.03431	1.5
57.47857	1.2
59.01385	18.9
61.98825	4.1
67.01906	1.3
68.99819	3.5
70.83691	1.6
71.01379	4.2
71.58287	1.3
73.02950	1.8
81.31649	1.3
83.01381	2.2
85.02946	2.2
89.02460	1.9
93.03454	6.1
100.98277	1.4
101.02438	3.1
108.02161	1.5
110.00093	6.1
111.00135	1.4
111.00876	2.4
113.02455	2.9
117.03458	4.5
119.05037	100.0
119.46485	1.3
120.05397	2.4
121.02936	3.0
128.03534	4.9
136.98767	1.9
145.02966	21.0
150.03256	2.2
161.04691	2.8
161.06056	16.1
165.12810	4.5
171.07730	1.7
189.13011	1.4
191.14432	2.0
197.11853	3.0
203.07138	2.7
207.13934	15.5
209.11734	2.3
209.15471	3.1
211.13428	1.9
233.11867	3.3
235.13431	3.7
251.12843	2.4
253.14473	5.1
257.04639	2.3
259.13330	9.4
261.11285	7.9
261.14694	1.7
277.14447	11.1
279.12405	18.6
327.18112	5.6
347.28174	1.5
351.18173	7.2
353.16058	74.4
354.16446	1.8
367.11774	4.9
377.19763	1.9
379.18411	3.0
388.96683	1.5
397.18863	6.2
405.15552	4.5
423.16904	9.8
445.22284	3.7
471.23853	11.8
473.21841	14.7
483.29852	4.0
494.83270	1.5
525.27106	4.0
538.74524	1.5
543.22052	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	543.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35966	7.0
59.01388	35.1
61.98838	12.7
64.92629	7.2
68.15156	6.6
69.63805	14.2
69.64185	11.9
71.05003	8.1
72.53002	7.2
73.02958	14.1
84.87627	7.7
94.04274	7.7
96.95983	7.0
98.22644	15.7
105.21970	9.3
115.04037	15.5
117.05599	27.0
119.05042	24.8
119.08677	8.5
120.42878	6.8
121.02968	91.2
122.02523	11.6
160.84227	24.2
162.83995	42.5
163.07675	23.6
167.83275	6.7
173.08197	15.1
192.92763	7.2
193.66533	7.3
263.90649	7.2
271.21423	6.8
273.14987	100.0
402.09131	7.4
461.21600	8.8
499.29099	23.7
543.23145	46.0
547.66754	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	543.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
55.30537	1.0
56.10169	1.0
57.03456	1.4
59.01125	1.6
59.01387	21.2
69.12481	7.2
71.01386	18.3
71.05012	3.2
73.02953	6.6
74.00486	1.2
83.01395	3.5
85.02953	10.7
85.49236	1.2
89.02451	5.3
95.01398	2.3
99.00916	1.5
101.02453	14.0
113.02440	5.8
119.03488	1.8
124.01662	1.8
125.09712	7.0
143.03610	1.2
161.04607	1.4
221.15437	1.8
270.35605	1.4
293.21182	2.0
319.19089	2.6
337.20001	2.0
403.62122	1.5
433.75946	1.2
451.31400	1.3
481.24323	2.6
499.25558	9.6
525.23456	5.1
543.24561	100.0
544.25110	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	543.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03440	0.9
58.00578	0.7
59.01388	17.5
62.34007	0.5
69.03451	1.8
70.08792	0.5
71.01027	0.8
71.01392	11.8
72.99292	0.8
73.02956	4.0
77.11835	0.5
78.95893	0.5
79.01883	0.5
80.02673	0.9
83.01392	2.6
85.02965	4.9
87.00885	1.8
89.02467	3.4
90.92681	0.4
95.01382	1.1
97.02962	0.9
98.03712	1.0
99.00903	2.2
99.04542	1.5
101.02471	6.5
113.02470	3.5
117.03430	0.9
117.50451	0.4
119.03478	1.1
119.04997	0.5
124.01637	3.4
135.04536	0.7
135.08171	0.6
137.09782	0.8
141.68062	0.4
153.09238	0.5
175.11278	0.6
189.12877	1.0
191.14438	0.4
193.12444	0.5
205.12422	0.9
217.03860	0.6
219.14009	0.6
230.35657	0.5
231.13852	2.5
237.15126	0.4
245.19090	2.8
247.20641	1.0
257.19318	0.5
263.20139	0.8
275.20181	10.6
276.20605	0.6
277.21906	0.5
283.89691	0.4
293.21338	0.8
301.03415	0.6
301.18063	1.1
303.16132	0.7
319.19186	5.8
321.20770	1.0
337.20264	3.6
347.90857	0.5
379.21027	0.6
479.51181	0.5
481.24396	8.2
482.24924	0.5
499.25537	14.5
500.25677	0.7
525.23474	11.6
526.23602	0.6
543.24536	100.0
544.24762	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	543.2449
Annotation	Agnucastoside B
Peak:m/z	Relative Intensity
55.01875	1.2
57.03433	1.0
58.00590	1.1
59.01385	34.4
62.42047	0.6
69.29534	1.3
69.29935	1.9
69.36725	0.6
71.01390	14.8
73.02953	2.0
83.01395	1.8
85.02966	5.1
87.00915	0.6
87.04517	3.2
89.02451	10.9
92.67412	0.5
95.01406	1.4
96.96014	4.2
97.02956	2.2
98.03725	2.2
99.00904	0.8
99.04565	4.2
101.02455	9.3
113.02451	4.2
119.03486	2.2
122.39047	0.6
124.01686	3.2
142.48381	0.6
171.08191	0.9
173.09720	1.7
175.11313	0.8
184.09004	0.8
185.09703	0.7
187.11247	3.0
189.12859	1.1
199.79147	0.6
201.09247	0.7
205.12369	3.3
207.13960	1.5
219.13895	1.5
235.13507	1.1
263.20190	1.6
275.20370	0.7
293.21280	5.7
319.19144	15.3
321.20715	1.0
335.82382	0.6
337.20209	5.8
398.79391	0.6
481.24512	2.8
499.25482	10.0
525.23450	7.9
543.24530	100.0
544.24890	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	543.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03441	1.3
59.01386	16.4
60.63181	0.4
61.98847	2.5
62.55572	0.4
69.03464	4.9
70.72690	0.8
71.01391	10.8
71.05045	0.6
72.99322	0.9
73.02956	5.5
73.98306	0.5
75.00850	0.4
81.03474	0.6
83.01384	1.8
83.05023	0.5
84.02169	0.5
85.02959	7.2
87.00873	0.6
87.05618	0.4
89.00684	5.0
89.02451	4.2
93.03482	0.5
95.01404	1.5
96.96019	1.2
97.02930	0.7
97.06587	0.8
99.00866	1.3
99.04546	2.2
99.05086	0.5
101.02458	6.7
107.05040	0.5
109.06595	1.3
111.08086	0.8
113.02456	4.5
115.02237	2.2
117.03465	1.8
119.03516	1.5
119.05032	3.7
120.01258	0.5
121.02956	0.5
121.06615	6.8
123.08170	1.0
124.01675	3.2
125.02451	0.5
128.03589	0.6
135.04521	1.1
135.08185	1.6
137.09726	1.3
147.08061	0.5
149.09727	0.7
157.08711	3.4
159.03014	0.6
161.02484	0.7
161.04573	0.5
163.00366	0.6
163.04065	1.1
175.04082	0.6
176.03888	1.0
177.09206	0.5
189.12848	1.0
191.07213	0.5
191.14352	0.6
199.11273	0.6
218.56544	0.5
219.13922	0.7
233.10129	1.8
245.19208	1.0
257.18930	2.0
261.18597	1.8
263.20160	4.9
275.20209	3.3
293.21124	1.4
301.18320	0.5
303.15826	0.5
311.05640	1.0
319.19186	3.7
321.20554	2.1
337.16232	0.8
337.20255	14.5
338.20261	0.8
361.14890	0.7
466.19098	0.7
467.18140	0.6
481.24557	2.1
484.20041	0.8
499.25537	16.5
500.25974	0.9
525.16687	0.5
525.23474	4.8
543.24512	100.0
544.24042	8.5
558.09888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31461	0.9
62.82461	0.9
63.81013	1.0
63.86810	0.9
73.45166	0.9
77.75185	0.9
85.02968	1.6
87.04520	3.7
97.02964	1.3
101.06098	4.8
113.06106	4.4
115.04021	100.0
115.07642	4.7
116.04293	1.1
118.29598	1.0
120.55076	1.0
135.80685	0.8
171.06650	1.5
195.04942	1.8
195.06644	14.0
229.00302	0.9
231.84444	1.0
255.23344	1.3
327.19437	1.7
331.81680	1.3
331.86334	1.0
365.21164	1.8
371.18539	3.1
427.21277	3.5
543.25970	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	543.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73748	0.7
58.02987	1.0
59.01384	6.1
61.98841	3.5
68.03753	0.6
69.18121	3.7
71.01379	0.7
72.00429	0.6
72.00911	0.7
74.02487	3.0
82.03002	3.3
84.04565	2.8
86.02489	21.2
86.99113	6.7
88.04065	1.0
96.04591	0.6
98.22662	1.0
102.44463	0.6
109.07715	1.0
115.05874	5.7
117.03436	0.7
119.05044	3.9
127.05165	4.2
127.08784	15.4
127.11272	0.6
128.03555	100.0
129.03865	1.0
135.04568	1.0
137.58212	0.6
144.06168	11.7
153.06721	6.1
161.04651	0.8
167.14417	2.6
171.07771	84.1
172.08121	1.3
179.04666	2.4
179.07263	0.7
183.13994	0.8
197.05685	2.7
211.13393	3.5
215.04849	1.1
215.06741	14.0
218.48273	0.6
229.14447	1.5
258.12897	3.6
284.14526	0.7
289.18225	0.8
293.21234	10.1
300.02621	2.2
307.19223	0.8
309.18875	1.4
327.20013	53.2
328.20273	2.5
352.23111	2.2
396.21921	1.0
414.23236	12.2
525.26361	2.5
543.21429	0.9
543.27716	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	543.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07205	0.6
58.02988	0.9
59.01389	7.4
69.03466	0.6
69.32841	2.7
69.33239	1.1
70.96971	0.6
71.01382	2.4
72.00947	0.8
74.02479	2.8
76.19216	0.6
82.03004	3.2
82.95420	1.0
84.04562	2.8
85.02975	1.1
86.02490	25.4
86.48308	0.6
88.04046	0.8
89.02470	1.1
96.04585	0.7
98.22614	1.3
101.02464	1.1
101.77901	0.6
107.06153	1.0
109.07743	1.1
113.02461	1.5
117.03454	0.8
119.05031	5.3
127.05119	2.9
127.08794	13.4
128.03558	100.0
129.03838	1.0
135.04559	1.3
135.05663	0.7
145.02928	0.7
153.06702	9.4
170.62746	0.7
171.07780	48.2
172.08188	0.8
179.04684	3.2
197.05635	3.1
203.10840	0.7
209.11757	0.8
215.06749	11.5
255.02988	1.9
265.21878	1.3
275.20139	4.0
283.02814	1.0
293.21277	18.0
294.21640	1.2
309.18747	0.8
327.20016	47.0
328.20486	2.5
381.09839	2.8
414.23245	39.1
415.23453	1.7
474.24673	0.6
519.76355	0.8
525.19049	1.3
525.26404	7.5
525.41620	0.8
535.26648	0.7
543.14722	3.1
543.27570	16.7
544.28021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98827	1.2
70.16000	1.3
71.01382	0.7
73.58803	0.5
78.95921	0.7
80.54374	0.5
83.06147	2.0
96.96008	1.0
96.96969	1.9
101.02416	1.0
112.08842	0.8
114.05603	2.4
130.08713	1.5
131.08273	100.0
132.08607	1.4
141.05226	0.8
150.05232	2.2
154.01073	2.0
156.07799	9.9
168.01561	1.2
173.10446	56.0
178.04759	1.0
183.01486	0.7
185.00537	4.3
193.03606	1.2
194.94629	0.7
195.01576	0.6
196.05786	46.9
197.05936	2.4
205.05867	0.7
210.02580	2.5
212.03664	1.0
213.08461	0.8
214.08794	0.6
217.00406	0.6
219.05080	0.6
220.06909	2.0
221.05237	1.0
225.08461	1.0
227.05280	2.6
235.04610	3.5
244.07887	1.3
254.04541	0.9
271.07352	1.2
288.07639	1.4
292.12549	1.0
293.11148	0.8
299.02353	0.7
303.15213	1.1
310.13742	31.8
311.13882	2.3
318.10559	2.5
327.16446	5.7
335.13245	11.7
335.16907	0.4
337.07831	2.1
352.15891	25.5
353.15897	1.7
369.18542	78.7
370.18750	4.1
483.13638	14.5
484.13876	1.4
519.29163	0.8
539.52521	0.7
543.29822	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	543.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
59.01386	100.0
60.01722	0.6
61.95301	0.2
69.08215	1.5
71.01384	2.6
73.02943	1.1
83.01408	0.7
85.02956	1.4
89.02477	0.9
91.01914	1.2
93.03477	1.0
95.01402	0.5
96.96021	0.2
97.03030	0.2
98.22681	0.5
99.00893	0.3
101.02451	1.5
108.02201	0.9
113.02466	2.1
117.03519	0.6
119.05032	1.2
122.02508	1.5
123.04530	3.3
123.05363	0.2
125.02454	0.3
135.04559	0.4
137.02451	3.1
143.03534	0.4
152.01147	0.3
161.04599	0.7
161.61743	0.2
167.03514	11.0
168.03917	0.3
168.74278	0.2
179.10869	0.2
214.10931	0.2
255.06566	0.2
277.21783	0.5
291.23160	0.3
309.04276	0.6
337.07230	0.3
339.25577	0.8
352.09531	0.4
353.10327	0.3
381.09735	1.1
391.01880	0.2
435.27441	0.2
483.29715	1.7
499.78558	0.2
501.30603	1.2
508.04865	0.2
543.15082	1.6
543.23273	0.9
543.31415	1.0
545.68927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03421	0.2
59.01383	100.0
60.01717	0.9
64.06847	0.2
65.00344	0.2
71.01385	2.8
71.43188	0.3
73.02951	1.5
75.00893	0.3
83.01416	0.5
83.25294	0.2
84.66302	0.2
85.02966	1.6
89.02472	0.8
91.01925	0.5
93.03458	0.4
95.01392	0.3
97.02979	0.3
99.00900	0.2
101.02443	1.7
108.02226	0.3
113.02460	2.7
117.03502	0.2
119.03519	0.4
119.05087	0.8
122.02483	1.4
123.04546	1.7
125.02454	0.3
133.19644	0.2
135.04532	0.4
137.02423	1.6
138.28665	0.2
143.03542	0.3
152.36406	0.2
161.04587	0.7
167.03497	6.0
217.10909	0.2
277.21805	0.3
291.23425	0.4
321.24673	0.2
324.19040	0.2
339.25400	1.2
401.11380	0.3
435.27109	0.2
483.29648	2.5
501.30835	1.7
543.24280	0.8
543.32001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.76369	0.9
60.01720	3.2
61.01821	0.9
65.00313	0.9
65.22395	0.9
71.01390	21.9
73.02952	17.5
76.95407	0.9
78.72237	0.9
81.97543	0.9
83.01404	3.5
85.02958	5.4
87.00900	2.0
89.02450	15.4
95.01418	1.7
96.96009	5.9
98.95589	7.4
101.02454	15.4
111.17822	0.9
113.02456	15.4
117.03515	1.2
119.03545	6.6
119.05026	9.6
131.03532	1.1
133.02922	2.1
136.98846	2.7
143.03557	2.2
143.04976	0.9
149.04565	1.0
160.13994	0.9
161.04625	4.8
161.05862	0.9
163.37096	1.0
165.99046	1.0
179.05646	3.8
211.13689	0.9
255.03027	3.7
257.04419	1.5
283.02493	2.2
381.09802	5.2
467.16959	1.8
483.29495	5.5
501.30405	2.0
511.16135	4.3
518.25519	1.0
543.14868	3.2
543.22437	6.8
543.28442	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	544.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65696	1.2
65.00320	3.4
65.99867	2.2
70.84257	1.5
99.84803	1.3
120.00911	1.7
148.00304	1.9
151.00272	1.8
167.05009	1.6
175.99878	4.6
181.06590	1.1
194.06085	1.4
201.05659	1.3
208.00066	1.4
213.05765	1.6
220.00133	2.7
223.99628	1.8
225.05553	2.2
238.05075	3.9
247.99675	5.7
253.05045	5.2
255.06720	7.9
262.05209	1.4
263.99042	1.9
266.04584	3.7
271.06219	1.4
275.05859	1.6
280.06134	10.8
286.05124	2.7
291.98749	1.8
299.05972	1.7
300.06586	2.6
302.04456	3.5
304.06171	2.4
310.04660	2.0
324.06293	1.7
326.04324	3.7
328.06250	1.8
330.04071	2.0
340.05838	1.5
344.05197	1.4
350.04239	5.9
352.05850	2.3
354.03885	2.6
356.05463	1.7
368.05368	5.5
372.04922	2.0
378.03906	1.6
379.04401	2.5
394.03299	14.7
395.03940	1.7
396.04895	5.4
400.04431	1.6
412.04163	1.7
420.05069	2.7
434.10156	2.1
435.03619	3.1
456.08563	5.4
470.09991	2.3
498.09668	24.9
500.10916	3.5
516.10388	7.3
526.09106	100.0
527.09363	5.3
544.10168	67.3
545.10327	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	544.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
61.98817	0.9
64.01929	0.8
65.00323	1.5
65.99847	3.8
68.99825	1.0
70.42600	1.6
71.06651	0.7
71.30715	0.6
83.01382	1.1
90.12139	0.6
93.38634	0.8
94.03018	1.3
106.02989	0.9
108.00927	0.9
108.83453	0.7
110.02516	1.4
111.00874	2.8
117.59164	0.8
122.02479	1.3
124.04085	5.7
124.98835	1.0
125.02489	1.5
134.02425	0.9
136.00441	2.0
139.00404	0.9
144.04646	0.8
146.02412	1.1
146.06152	1.0
148.04079	7.5
150.01994	7.0
160.04066	2.4
163.99930	2.1
164.03539	1.5
166.05086	1.3
168.03061	0.9
169.01323	0.9
171.04539	5.7
172.04073	3.3
173.04816	1.5
174.01958	0.8
175.99873	4.0
177.01932	0.8
188.03508	2.3
190.01370	0.9
190.05101	2.5
192.03053	11.8
198.02168	1.0
214.05106	1.5
215.02174	0.9
216.03072	9.7
218.00954	2.4
229.03677	1.1
234.03983	1.6
234.09256	0.9
236.07219	1.1
240.06721	1.9
242.01077	3.5
242.04510	1.2
242.08232	2.8
252.06528	1.5
258.04071	3.1
260.01764	1.2
266.08365	0.8
268.06198	4.8
268.09641	1.5
269.04495	1.4
270.05106	1.6
270.07663	6.0
273.04065	1.3
278.08185	3.7
280.06146	13.1
281.06567	0.9
284.05743	1.3
292.09753	1.7
294.07870	0.9
296.05655	3.9
296.09293	7.5
320.09293	21.6
322.07150	6.1
336.08835	1.4
338.10266	1.9
346.07135	6.8
350.06500	1.4
362.10367	6.7
364.08292	39.1
365.08618	1.6
396.07178	2.4
400.85657	0.7
406.09338	100.0
407.09677	4.9
424.12662	1.6
526.11444	6.9
544.12439	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	544.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30860	7.0
59.01375	10.5
65.00321	9.4
65.99844	22.1
69.03458	32.6
71.31058	7.5
74.64012	5.7
87.00880	7.5
96.96022	12.4
97.02968	50.3
110.02472	8.4
111.00840	6.4
115.05495	8.9
119.05009	11.6
120.00917	8.8
131.05031	23.0
134.02531	8.4
135.03242	10.5
136.00397	17.5
138.01985	7.6
145.06599	56.7
147.08119	8.8
151.11064	5.6
156.84375	7.0
157.06593	10.5
160.03972	7.8
163.99985	13.3
165.00688	7.6
165.05585	6.9
173.06091	22.6
173.82368	6.1
175.07649	21.3
175.99899	14.5
185.06152	6.9
201.05580	52.8
203.07137	10.8
218.00945	7.6
225.05779	7.1
229.05023	22.0
230.00916	6.5
240.06618	7.3
242.08235	65.8
245.04593	12.5
247.06187	35.6
255.06653	8.5
268.06131	33.6
270.07758	100.0
273.04080	30.8
273.99905	23.3
280.06232	25.4
290.08212	7.4
296.05707	62.3
308.09262	13.7
322.07257	7.1
334.07309	16.4
352.08102	17.2
378.06311	54.7
394.09348	25.7
412.12308	6.5
438.14014	10.1
454.12793	32.3
472.13959	14.3
482.12234	41.9
515.29578	8.5
544.12482	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	544.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22853	0.5
54.00736	0.5
59.01386	32.1
60.01721	1.7
66.75010	0.4
70.39747	0.5
71.01382	4.4
73.02962	1.1
76.49337	0.5
77.48244	0.5
78.03480	2.9
85.02940	1.0
87.04532	0.6
89.02466	2.3
97.02985	0.5
98.91294	0.5
99.00915	0.6
101.02452	1.6
107.79142	0.5
113.02480	3.9
119.03518	0.7
119.05035	0.7
122.02495	100.0
123.02829	1.8
143.04630	0.6
150.71080	0.5
161.04568	1.8
215.23959	0.5
252.69843	0.5
306.07629	0.8
337.16663	2.0
344.77814	0.6
399.95303	0.4
410.68982	0.6
421.18686	1.0
483.29391	0.6
484.30124	2.7
502.31400	0.7
544.30505	0.5
545.26233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14226	0.4
57.03451	1.0
59.01384	10.2
60.01726	0.8
61.98837	2.0
62.70933	0.5
65.00310	0.5
69.03471	0.7
71.01392	5.7
71.42117	0.5
72.01711	0.8
72.99315	1.3
73.02947	0.8
75.00875	6.9
76.01189	0.6
78.03504	1.6
83.01416	0.5
85.02956	4.0
86.03294	0.9
87.00893	2.7
89.02458	1.8
93.03471	0.9
94.03802	0.5
95.01393	0.6
97.02961	1.8
99.00913	3.9
100.01232	0.6
101.02441	0.9
113.02455	5.3
114.02777	1.0
115.00430	1.0
116.92846	0.5
117.03448	1.0
117.07216	0.4
119.04997	1.8
121.02915	0.4
122.02496	100.0
123.02812	1.4
125.02461	0.7
128.00070	0.4
130.08768	0.9
131.03603	0.5
133.02942	0.6
135.04533	0.8
137.02428	1.2
138.44731	0.4
148.05324	12.3
149.05646	7.3
163.07668	4.7
164.08015	3.3
175.02557	0.8
180.56766	0.5
189.01865	0.5
202.06354	0.5
221.18106	0.5
263.12906	0.7
283.02301	0.4
311.05719	0.7
325.06262	0.5
337.07220	0.8
337.16528	2.1
338.07425	1.2
380.08936	0.7
381.09741	1.3
382.10114	4.0
421.18683	0.7
544.17279	23.8
545.17468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	10.1
59.43327	3.5
69.67731	11.4
69.68069	3.4
75.00880	38.0
94.03119	3.1
95.45049	2.9
98.22598	6.8
101.36155	3.1
119.05025	6.9
122.01621	6.7
122.02487	100.0
122.03357	5.0
136.04054	57.0
141.93011	3.3
150.05614	22.9
166.04526	3.1
178.05107	8.6
207.91316	3.3
329.90262	3.3
341.13675	4.8
361.16678	5.8
427.42047	4.2
444.20151	5.8
468.20081	7.6
478.33908	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	544.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.0
61.98802	1.1
69.03445	1.2
70.88726	2.0
71.05036	1.2
72.62067	1.0
72.97521	2.2
73.98331	7.9
74.00709	1.4
80.36790	1.2
81.03443	5.6
84.02181	1.5
85.02957	1.8
86.02480	9.6
87.72264	1.0
89.00680	100.0
96.96021	1.5
97.02982	1.4
99.04531	4.6
108.80642	1.0
114.03823	1.6
115.02256	32.0
119.05039	4.4
120.01273	12.1
123.04527	2.4
124.03980	1.8
126.02705	1.1
127.04018	7.2
135.08183	18.6
149.09743	4.3
149.40050	1.3
151.02260	1.3
158.02817	3.9
161.11105	1.1
172.04025	1.3
176.03873	19.9
179.10834	1.7
189.12939	1.3
199.11339	9.5
202.05447	2.4
205.10574	2.3
217.12363	1.1
231.08488	3.0
233.10036	27.7
233.12201	1.6
234.10280	1.4
251.11107	2.3
261.09439	1.2
271.13516	1.2
289.14517	2.1
302.03729	1.9
307.15488	7.2
320.13086	1.5
343.13663	2.4
361.14774	6.8
379.15851	5.7
397.16946	11.1
422.21249	1.5
423.20331	1.4
448.18054	2.2
457.19101	1.4
466.19028	10.6
484.20096	15.9
544.22290	69.7
545.22577	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	544.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	7.2
70.47135	3.0
73.04068	4.9
74.02485	10.0
78.95950	3.0
82.02993	4.3
94.58650	2.8
95.48946	2.6
96.00897	3.9
96.96024	4.3
99.05652	5.7
100.00441	6.4
110.02528	4.2
113.07266	2.8
114.05635	3.2
124.07732	6.3
125.07216	8.3
127.08804	16.1
129.10365	11.2
138.05655	3.3
150.70685	2.9
153.06746	4.5
153.10345	8.9
154.01482	5.6
167.08305	4.3
168.11426	4.3
171.07774	90.1
181.09860	8.5
186.12486	82.0
205.85922	2.9
211.07228	6.9
215.10385	67.4
216.10632	4.0
222.12276	3.1
225.08820	9.8
230.15115	53.2
266.11465	6.2
269.07758	5.8
328.15121	22.0
372.97189	3.1
500.23596	19.2
544.26373	100.0
545.26831	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	545.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14812	0.7
59.01384	1.6
65.45477	0.6
71.01398	1.1
72.99303	1.5
79.95746	2.7
81.95336	0.9
84.82125	0.7
84.93877	3.2
85.02948	0.8
87.00890	2.2
96.96020	86.9
97.95968	2.2
98.95602	41.7
98.96436	7.1
99.00896	0.8
99.92591	35.4
100.92667	1.5
100.93366	17.7
111.00891	1.9
115.92088	21.9
116.92870	100.0
117.92890	2.9
124.93376	1.3
126.94933	1.5
128.92889	1.3
129.01958	0.9
137.02492	0.7
139.00407	0.8
141.93634	2.1
142.94455	5.6
154.94423	1.6
156.92264	0.6
158.93954	0.8
163.00398	1.7
167.95335	0.9
169.93187	1.0
170.93903	2.8
171.04529	1.5
184.95496	2.1
185.92671	1.0
186.93491	0.9
194.93918	2.3
195.94691	1.2
197.06049	1.7
198.93446	1.5
212.95061	3.6
225.05482	1.1
239.03555	1.3
241.05238	0.8
256.93979	7.8
257.94617	5.3
267.03220	3.5
267.51236	0.9
268.03714	5.1
269.04575	15.4
274.95007	14.1
322.96326	0.9
336.98367	0.9
350.96027	2.3
351.96762	2.6
352.97610	9.4
353.97925	0.8
368.97049	17.5
369.01666	0.9
369.97369	1.2
380.97205	0.9
405.97742	1.1
406.99054	1.5
411.05588	0.8
485.03751	1.1
495.80371	0.8
507.00107	1.0
508.98993	1.0
544.99835	1.5
545.07245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03764	0.5
59.01398	3.4
69.58878	2.1
69.59242	0.8
70.53023	0.5
71.01392	1.7
72.99317	0.6
73.76571	0.5
76.85990	0.4
79.95752	3.2
85.02953	1.8
87.00923	0.6
93.03503	0.7
96.96021	100.0
98.21915	0.6
99.00868	1.0
101.02460	0.9
107.01397	0.8
113.02454	2.4
119.05019	1.4
145.45969	0.6
151.00359	3.4
171.06247	0.6
175.02475	1.6
242.99881	0.5
271.06183	2.7
327.01862	3.9
369.03003	1.5
381.03061	0.9
383.12552	1.7
447.09476	1.3
485.04312	1.4
501.16150	0.6
544.24695	1.2
545.06274	1.3
545.25543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85114	1.3
57.03447	1.7
59.01381	8.4
60.89941	1.3
60.91756	1.2
61.98815	3.2
69.03452	1.5
71.01377	4.4
72.99297	1.7
73.02927	1.6
75.00889	2.6
78.95904	4.2
79.74024	1.2
79.95744	1.9
80.91685	2.6
82.95412	2.4
83.01412	3.2
85.02957	3.4
87.00860	1.5
89.02438	3.9
93.03458	1.7
95.01411	3.1
95.02040	1.2
96.96017	20.6
96.96970	4.3
97.02968	4.0
97.08564	1.4
99.00883	18.4
101.02438	3.7
109.02926	5.2
110.00110	2.0
111.00893	37.0
113.02447	4.2
117.03430	1.5
118.66550	1.4
119.03459	1.5
121.02953	4.7
123.00853	5.7
123.04543	2.5
125.02435	2.5
125.05303	1.4
128.03566	1.5
133.06586	1.9
135.04494	2.5
136.98784	1.8
137.02399	1.6
139.00394	34.8
140.01140	4.7
141.01958	89.6
153.01944	9.3
153.05548	4.8
158.03726	2.2
159.04504	2.9
161.02454	16.3
166.99850	3.8
167.03490	5.1
175.04095	2.0
181.01459	2.1
189.05597	1.7
193.01407	3.1
197.04492	7.6
201.05573	1.5
201.64561	1.3
209.04630	4.4
217.04984	2.4
227.03658	1.9
239.05653	3.6
240.04114	1.3
241.05081	2.4
257.04630	2.0
267.03131	1.8
278.84772	1.5
285.04001	5.3
301.03488	2.8
302.03973	1.5
303.05090	43.0
304.05325	2.2
305.07288	1.7
437.10876	4.6
463.08618	4.4
463.14600	12.7
465.10422	100.0
466.10684	5.9
507.17111	6.2
509.17691	1.5
545.06006	60.5
545.14661	4.7
546.06201	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
71.40754	0.5
72.99297	0.5
79.95734	3.9
96.96019	100.0
98.95599	7.5
98.96371	0.8
99.92606	2.6
100.93362	2.6
114.93430	0.8
115.92092	2.0
116.92876	5.6
126.95001	0.5
142.94383	0.5
205.64580	0.4
240.94379	0.5
256.94092	0.8
257.94717	0.5
258.53058	0.4
258.95486	2.1
269.04596	1.1
274.94958	0.7
368.97113	1.5
495.19809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	15.4
61.98827	2.2
69.34600	8.3
71.01395	8.9
73.02957	4.3
78.95915	2.2
80.91690	32.2
81.03472	2.0
82.95435	3.3
83.01405	2.6
85.02957	5.1
89.02457	5.1
91.01907	6.9
91.30569	2.0
95.01458	2.4
96.96031	16.7
96.97000	2.4
98.99385	3.0
99.00890	2.5
101.02463	5.1
107.01403	2.3
107.96451	1.6
108.02190	6.5
109.03005	2.7
111.00920	4.2
113.02435	6.0
123.00904	2.3
123.04536	35.8
125.01010	2.2
125.02475	3.3
131.08368	1.7
135.04539	1.9
137.02417	1.8
138.38454	1.6
139.00412	5.0
141.00467	5.7
141.01964	13.1
150.03217	2.9
151.00421	8.0
151.06133	5.5
152.01161	10.1
153.00496	2.4
153.01891	3.0
161.02422	3.2
166.02762	13.0
167.03506	96.3
181.05115	6.9
185.18753	1.7
191.04234	4.0
194.02219	14.2
195.03091	2.2
209.04562	99.4
210.04951	2.5
215.04175	4.4
233.05147	3.6
239.05630	5.5
257.05154	4.9
269.06720	19.6
284.93304	1.6
291.04904	43.5
292.05228	1.6
295.10461	1.9
300.81003	1.7
303.05228	8.0
306.88800	1.6
317.07346	12.7
329.08990	1.7
335.08325	14.6
351.07001	10.5
463.14636	100.0
464.14996	5.2
465.10583	8.4
480.39807	1.7
485.12488	58.9
486.12347	3.3
545.06238	3.0
545.13403	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.4
57.03463	8.0
59.01384	78.3
60.01725	2.4
69.13302	2.7
69.13704	6.3
71.01389	49.3
72.01742	2.3
72.99319	5.6
73.02953	15.3
75.00878	32.2
83.01394	5.0
85.02958	39.2
87.00884	11.9
87.04544	2.1
89.02447	15.9
91.02860	1.9
95.01431	6.5
96.96022	6.1
97.02946	2.2
98.21899	3.1
98.95608	4.9
99.00893	13.0
99.04534	3.1
99.92590	4.2
100.93381	3.8
101.02447	14.0
102.02802	1.7
112.89099	1.4
113.02463	45.5
115.00401	5.0
115.92094	5.3
116.92857	15.8
118.63846	1.4
119.03506	3.7
124.01707	2.0
125.02464	2.7
157.01434	1.4
161.04541	2.8
173.09792	1.5
175.02492	3.2
203.05592	2.1
294.21454	2.1
319.19089	2.6
320.19507	4.6
321.19864	3.1
337.39233	1.7
338.20773	2.2
375.32477	1.3
441.14157	1.6
459.14969	3.5
500.25882	4.2
501.16183	100.0
502.16275	4.7
526.23407	1.8
527.23767	2.7
544.24823	23.8
545.00061	1.7
545.25140	42.1
546.25323	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	545.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53665	0.6
59.01382	13.2
59.48504	0.7
59.83027	0.9
61.46323	0.7
65.00334	0.8
71.01389	9.9
71.05028	25.3
71.41098	1.2
73.02939	1.1
76.53916	0.8
81.03458	1.6
83.01411	0.7
85.02971	3.7
89.02460	9.1
95.01398	1.1
96.96028	2.2
97.72492	0.7
98.95597	0.9
101.02448	8.6
104.12728	0.8
107.05042	1.9
111.00880	1.9
113.02463	8.3
119.03527	5.9
119.05029	1.5
121.02974	12.4
131.03508	1.4
134.03752	25.4
135.04460	0.8
136.98863	1.1
139.00369	2.4
143.03471	0.8
147.00891	5.5
149.09724	4.2
161.02481	8.9
161.04596	2.3
165.01866	1.1
165.41457	0.8
171.04538	1.0
177.09203	5.9
179.05618	4.0
187.07646	1.2
189.01981	1.6
219.02986	2.6
221.08215	100.0
222.08527	3.6
256.97830	0.8
263.07642	1.3
269.04593	2.5
285.04095	2.5
393.08011	1.3
409.69131	0.8
501.13904	1.9
512.37695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53665	0.6
59.01382	13.2
59.48504	0.7
59.83027	0.9
61.46323	0.7
65.00334	0.8
71.01389	9.9
71.05028	25.3
71.41098	1.2
73.02939	1.1
76.53916	0.8
81.03458	1.6
83.01411	0.7
85.02971	3.7
89.02460	9.1
95.01398	1.1
96.96028	2.2
97.72492	0.7
98.95597	0.9
101.02448	8.6
104.12728	0.8
107.05042	1.9
111.00880	1.9
113.02463	8.3
119.03527	5.9
119.05029	1.5
121.02974	12.4
131.03508	1.4
134.03752	25.4
135.04460	0.8
136.98863	1.1
139.00369	2.4
143.03471	0.8
147.00891	5.5
149.09724	4.2
161.02481	8.9
161.04596	2.3
165.01866	1.1
165.41457	0.8
171.04538	1.0
177.09203	5.9
179.05618	4.0
187.07646	1.2
189.01981	1.6
219.02986	2.6
221.08215	100.0
222.08527	3.6
256.97830	0.8
263.07642	1.3
269.04593	2.5
285.04095	2.5
393.08011	1.3
409.69131	0.8
501.13904	1.9
512.37695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	3.3
59.01390	5.6
60.00587	0.6
61.98824	0.7
66.03489	1.2
69.26796	3.4
70.02987	22.8
71.01368	1.9
73.02952	1.0
73.04061	1.4
75.13182	0.7
77.62995	0.7
82.06647	2.2
84.95161	0.9
85.02987	0.9
87.00895	1.0
87.05642	2.0
89.02430	0.7
96.00929	73.0
97.02962	1.8
98.02493	2.1
99.05653	25.9
101.02425	1.0
109.01694	1.3
109.03005	0.8
113.02462	1.1
114.02003	2.4
114.05626	1.5
117.03422	0.8
119.05056	2.0
123.05643	1.3
127.38625	0.7
130.08687	0.8
130.46080	0.6
134.03729	0.9
135.04543	2.8
137.02504	0.7
138.09259	3.3
139.08806	1.2
140.07185	3.3
141.06725	21.5
144.67506	0.8
147.06003	7.0
150.09222	0.8
152.10899	0.8
159.04625	0.8
164.14500	0.8
166.08743	2.8
170.09340	0.8
171.06013	1.6
171.07674	0.6
171.10249	2.2
173.06068	0.9
183.01303	1.5
187.07626	4.8
189.07056	100.0
190.07393	1.6
197.02769	4.7
197.16704	0.7
198.03384	0.8
202.06360	2.6
204.09128	0.8
208.13472	3.0
211.09727	0.8
213.09251	0.7
218.09769	0.8
225.16203	0.8
231.10295	2.7
235.18161	6.7
242.09724	1.0
253.09404	2.0
260.10641	1.6
261.16083	6.5
263.12927	5.5
277.15106	0.7
279.17163	8.4
286.08777	1.4
291.19641	1.5
305.15091	0.7
309.20709	8.2
323.16324	3.1
337.17728	66.8
338.17981	2.2
341.17993	1.5
355.18741	7.8
527.19714	0.7
527.25653	8.2
528.25708	1.0
545.24762	19.8
546.24603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.0
60.04415	0.9
60.58954	1.0
71.05025	14.5
73.02964	6.6
85.02931	1.1
87.04521	5.2
96.95988	1.0
97.02922	1.1
97.06564	1.9
98.22758	1.6
101.02489	1.0
101.06089	3.7
108.02155	1.3
109.06577	1.4
109.85928	0.9
111.04499	1.1
113.06144	2.3
115.04025	100.0
117.05593	61.6
117.06445	2.1
119.08683	5.4
121.06636	1.2
125.02470	2.1
125.09786	1.4
126.03203	1.2
127.07634	1.2
129.05600	2.7
135.04578	1.9
139.00374	1.4
153.05666	0.8
153.09265	4.9
154.02737	2.4
163.07674	13.4
164.97601	1.0
169.08707	2.1
173.08241	1.7
178.36568	0.9
195.06645	7.6
197.08205	4.9
215.09203	1.2
229.15927	2.8
255.13869	4.0
271.11813	3.3
273.14975	36.7
274.15433	1.5
311.16583	2.1
327.19693	2.1
347.18701	2.8
365.20993	1.1
371.18533	3.4
375.73056	1.1
409.20410	1.0
423.37048	1.0
427.21268	3.3
545.27606	7.5
555.59473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01385	11.2
69.07628	0.9
69.08037	2.6
71.01384	1.6
71.05029	18.2
71.67420	0.5
73.02959	11.3
83.05022	0.7
84.29845	0.5
84.46770	0.6
85.02949	1.5
87.00859	0.5
87.04526	3.7
97.02985	0.7
97.06604	2.2
98.21889	1.0
99.04549	1.0
100.01678	0.6
101.02459	2.0
101.06096	2.6
109.06603	1.5
112.25157	0.5
113.06101	3.2
115.04028	100.0
117.05594	65.9
119.08705	2.9
123.86050	0.5
125.02454	1.1
126.03231	0.8
127.07678	1.1
129.05605	1.8
135.04521	0.5
135.08147	0.6
139.00388	1.1
141.05623	0.9
141.09268	1.0
151.07677	0.6
153.05629	1.8
153.09244	3.3
154.02785	2.5
155.03473	0.5
163.07671	8.0
169.08708	1.6
171.06624	0.5
173.08185	2.4
176.04805	0.5
183.10318	0.8
189.88475	0.4
195.06654	8.9
197.08253	3.8
214.18211	0.6
216.66632	0.5
223.43329	0.7
227.14458	0.5
229.16017	1.4
239.10828	0.7
255.13879	3.0
261.11493	0.7
267.17627	0.6
271.11920	1.9
273.15005	18.4
309.18768	0.8
311.16656	1.1
313.14597	1.0
327.19644	3.1
343.19171	1.1
347.18756	2.5
349.16760	0.5
365.21378	0.9
371.18637	4.4
383.22012	0.6
427.21487	3.8
429.22879	1.2
469.58795	0.5
545.27673	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	545.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55502	24.6
61.98827	46.6
62.11492	27.9
64.07680	32.1
67.42754	31.7
69.75932	25.2
69.76255	68.0
71.01414	32.4
75.27603	26.3
78.95911	91.2
84.49319	24.5
91.44692	24.8
110.51833	28.4
115.04007	43.4
119.25574	26.3
121.02939	45.4
135.04527	94.1
157.86624	25.1
193.90726	57.5
196.89471	100.0
325.18320	60.4
381.52234	27.2
386.61737	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	546.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37692	0.5
62.41912	0.5
63.02399	1.6
64.01918	1.4
65.00323	8.9
68.99820	0.7
69.04400	3.3
69.04807	1.2
69.44399	0.6
70.66512	0.6
83.01401	3.3
94.00678	0.7
96.00911	4.7
107.01408	3.8
108.00904	1.5
108.02210	0.8
128.33110	0.5
129.52924	0.6
136.00415	33.2
137.00830	0.6
139.74469	0.6
140.39691	0.6
145.06590	3.3
149.99599	1.2
151.00383	8.3
163.99916	30.0
164.01059	1.1
165.61327	0.6
169.06580	1.1
171.04575	3.3
185.06062	1.3
187.07649	1.6
198.05626	1.2
211.07661	1.6
212.07265	0.7
213.05617	7.5
224.07195	1.5
226.05089	2.3
236.37410	0.6
240.06740	2.0
248.19316	0.7
254.05890	2.1
255.06642	88.7
256.07004	2.7
259.51126	0.7
268.06161	100.0
269.06558	3.7
331.65628	0.6
486.16251	0.6
546.11633	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	546.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99804	2.1
51.08131	2.0
59.01379	19.2
65.00320	4.0
65.99850	7.8
68.99797	2.2
83.61723	2.3
98.21903	5.0
99.00855	2.7
99.04520	5.3
103.00365	11.3
110.02469	2.7
120.00929	2.6
123.03268	5.5
127.30312	2.3
134.02472	3.6
135.03226	7.0
136.00420	10.8
138.01991	3.1
150.01973	2.6
151.02759	5.8
163.99908	5.4
165.00691	2.5
165.05566	9.0
171.04497	6.4
175.99884	3.4
190.01556	3.8
218.00957	2.5
224.07039	2.8
225.05640	4.0
228.06725	2.5
234.05843	2.3
235.41623	2.3
240.06607	2.8
242.08261	34.7
252.06708	2.8
255.06377	2.8
264.06546	2.5
268.06183	21.9
270.07742	100.0
271.08252	3.2
280.06076	13.5
282.07718	4.5
289.68192	2.2
292.06390	2.5
292.09991	2.4
294.07751	7.4
296.05569	12.9
308.09476	2.8
322.07178	22.8
323.55722	2.4
324.05353	2.9
346.07709	2.5
364.08173	15.8
366.06238	32.7
380.07748	8.2
408.07126	7.8
422.08481	3.5
428.11472	10.0
474.15121	2.6
514.11163	3.5
528.12695	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	546.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86049	1.3
53.03667	1.0
57.03445	2.6
59.01384	16.7
61.00439	5.3
70.33455	1.1
71.01392	23.2
71.39702	1.1
72.99315	3.8
73.02934	2.0
75.00883	36.6
82.01727	2.1
83.01414	2.3
85.02966	21.7
87.00874	8.8
88.11407	1.2
88.63302	1.2
89.00691	5.6
89.02460	3.4
89.60996	1.1
95.01386	1.4
96.96014	8.1
99.00883	3.3
101.02457	1.6
111.00896	1.6
113.02473	12.3
115.00374	3.7
117.01932	1.7
117.03446	1.4
119.05056	2.5
129.01950	1.3
130.46638	1.1
157.01431	3.5
162.05545	1.4
166.01801	1.2
175.02524	7.9
182.52052	1.3
204.13043	1.1
215.09198	1.9
223.03937	3.1
257.10361	2.3
270.04034	20.7
275.11395	100.0
276.11749	3.4
346.72192	1.4
347.18884	1.8
355.19504	3.5
424.21762	2.8
442.22653	5.2
468.20325	1.7
486.21371	2.9
546.23724	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	546.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73234	18.0
58.12910	18.2
69.22846	100.0
85.44456	17.7
135.30875	16.5
142.07516	17.8
192.58925	24.1
364.50311	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	546.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11440	24.8
58.76330	30.9
61.98827	92.6
68.47755	29.5
70.53778	65.5
83.35260	32.0
84.49678	30.7
90.92333	26.9
115.92081	56.0
122.02489	100.0
526.57733	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	547.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10572	0.2
55.90505	0.2
57.03445	0.3
59.01376	0.4
60.26443	0.2
63.04128	0.2
65.00327	1.8
67.01892	0.3
68.99825	0.2
69.03474	1.1
77.00355	0.3
81.03453	0.3
83.01391	0.5
86.76836	0.2
92.99837	0.5
95.01402	0.4
101.03984	0.3
103.93378	0.2
111.00890	0.3
112.19247	0.2
113.02429	0.2
117.03487	0.3
120.99326	0.4
123.00842	0.2
124.29424	0.2
127.05497	0.2
136.98816	1.5
137.02449	0.3
139.00386	0.4
139.05588	0.2
143.05023	0.7
145.03011	0.4
145.06596	0.4
148.98833	0.2
149.00534	0.5
151.05531	0.6
157.01448	1.4
157.06511	0.2
159.19820	0.2
162.82936	0.2
163.00410	0.2
164.98337	0.2
167.05095	1.0
167.06326	0.2
169.06589	0.2
171.04492	0.3
173.06094	0.4
179.04890	0.3
187.07663	0.4
192.99510	2.3
195.04543	2.9
197.06036	0.2
197.54335	0.2
204.27383	0.2
211.04036	0.3
213.05563	0.5
223.03979	1.5
225.05702	0.2
239.03479	0.5
241.05139	0.5
241.08910	0.2
243.06573	0.9
251.03464	0.7
255.03094	0.5
257.04666	0.4
259.06265	0.2
267.02988	0.7
267.06909	0.3
269.04526	3.1
285.07883	0.4
294.04803	1.0
295.04230	17.3
296.04718	0.6
305.06320	0.6
317.06363	0.4
325.14587	0.3
329.06741	1.5
343.15396	0.5
361.05176	0.8
389.04837	1.1
417.04254	1.2
445.03754	0.5
466.52664	0.2
491.09500	0.8
546.08618	0.9
547.08508	100.0
548.08844	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	547.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10570	2.6
59.01377	4.8
59.70583	2.5
65.00331	3.3
69.52133	12.6
80.64964	2.8
96.17458	2.8
96.95991	3.2
98.95569	4.0
99.92599	4.3
100.93358	3.3
103.07761	2.6
106.37988	3.0
110.00111	12.6
117.03499	4.3
118.92725	4.3
119.05019	4.8
136.98735	3.5
137.99564	6.7
150.32635	3.0
153.01967	3.3
153.99651	2.6
157.41743	3.1
161.02388	5.6
165.99098	14.7
176.29807	2.8
187.09294	3.0
197.04561	8.2
209.81767	3.0
212.04803	3.7
269.04587	3.8
283.02487	6.9
284.03259	49.3
299.05624	100.0
343.15637	3.5
503.11703	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	547.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51958	1.1
52.67971	1.3
59.01383	23.1
65.00327	1.5
69.80296	1.1
69.80644	4.1
71.01382	5.3
73.02946	4.5
74.02466	1.1
83.01377	1.8
84.95135	1.4
85.02943	3.1
89.02460	2.2
92.99846	3.0
96.96014	3.1
98.22679	1.4
99.00869	1.9
101.02448	5.4
110.00117	2.0
113.02449	1.8
117.03463	7.0
119.05053	4.3
120.99335	3.1
136.98795	4.2
152.18968	1.1
161.02446	10.9
161.04498	1.3
163.00374	3.3
165.99001	2.1
187.04027	11.6
211.03999	4.1
215.03555	3.1
227.03438	3.8
253.07286	1.4
255.03000	59.3
283.02502	93.6
284.03278	61.2
285.03891	3.1
299.05634	11.9
461.10809	3.2
488.09689	12.7
503.12012	100.0
504.12418	4.6
546.26105	1.6
547.27814	16.4
562.40710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1097
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01359	2.6
63.90935	1.5
65.00323	2.4
69.12624	3.9
69.13047	5.1
80.81196	1.3
92.99830	3.7
98.21888	2.7
107.50941	1.3
111.51436	1.4
117.03446	8.1
120.99304	5.0
136.98796	4.0
139.95819	1.3
155.04984	1.4
161.02480	10.2
163.00400	3.1
165.99083	2.0
171.04669	1.3
187.04047	14.4
191.82021	1.4
211.03989	2.4
227.03429	2.4
255.02994	64.3
256.03439	4.7
261.91666	1.6
283.02499	92.0
284.03262	60.9
285.03714	1.8
299.05600	14.1
325.14047	1.5
461.10687	3.1
488.09586	13.9
503.12036	100.0
504.12521	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	547.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15448	1.3
52.58345	1.5
55.19625	1.4
59.01386	55.0
81.41310	1.1
98.21865	2.0
107.84849	1.2
108.02173	2.1
137.02505	2.2
145.02985	5.8
152.01141	3.5
153.01967	1.6
165.99130	1.7
171.04491	6.6
179.03510	2.1
184.05275	1.3
211.03934	1.9
239.03525	50.5
240.04007	2.4
267.03009	100.0
268.03763	28.2
269.04422	3.4
281.04532	1.6
282.05368	82.3
283.06152	31.5
293.04535	2.6
295.06192	7.8
325.07114	3.4
328.17993	1.3
362.92584	1.4
362.97086	1.3
472.10263	1.8
487.12515	61.0
488.13110	2.3
547.14014	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	547.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18140	2.4
59.01382	26.0
61.98847	4.9
69.16608	17.8
71.01393	5.5
84.95110	3.4
85.02983	6.5
89.02447	4.2
90.52180	2.7
101.02425	4.5
113.02499	9.8
117.03477	4.3
119.05053	4.9
124.98816	5.7
157.06596	4.0
157.59358	3.1
170.03775	5.8
171.54379	3.0
173.06064	14.3
175.04045	4.0
185.06013	4.7
186.03314	3.8
198.03246	14.6
203.07111	5.6
213.05597	3.4
214.02701	3.5
226.02744	14.9
231.78014	3.3
241.01511	7.7
241.05072	14.0
267.10349	5.6
269.00916	5.5
269.04581	6.6
269.11850	38.5
281.04593	3.4
283.02475	4.6
284.03271	8.0
285.03873	3.5
295.13318	7.0
297.11697	3.7
298.01221	9.1
310.23328	3.1
311.12778	5.8
312.02756	50.5
313.03577	54.4
313.14444	43.3
327.05124	36.4
328.05893	86.9
329.06247	4.8
342.07504	46.6
343.04007	4.0
343.08307	92.5
343.15451	100.0
344.08603	4.1
344.15900	3.7
355.08426	5.4
363.38861	3.5
371.09979	4.6
511.08167	3.9
547.14404	5.2
547.21777	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.29919	0.6
58.69792	0.6
59.01383	14.8
61.98829	0.7
63.06084	0.5
66.96835	0.5
67.01883	0.7
67.54597	0.5
71.01390	17.7
72.99300	1.5
73.02955	1.7
83.01390	4.4
85.02962	2.3
87.00887	30.8
89.00706	0.8
89.02466	1.0
90.83469	0.6
92.58662	0.8
94.03048	0.5
99.00870	1.4
101.02450	1.2
108.90616	0.6
111.00897	7.5
112.98796	0.6
113.02453	2.1
115.00386	54.9
115.53638	0.6
115.81001	0.5
116.00729	1.1
119.05022	0.9
122.06104	0.7
127.00391	1.8
139.00392	15.0
157.01443	26.2
158.01736	0.8
175.02496	100.0
176.02821	1.2
190.05118	0.7
253.09987	0.9
266.07071	0.7
267.11429	0.8
277.15540	0.9
279.07825	0.7
280.08603	2.7
295.10947	8.9
296.11270	0.6
297.12512	1.0
309.12372	1.4
325.11926	1.7
327.13525	3.0
339.09927	4.9
353.11407	1.7
355.12881	0.8
363.13458	0.6
371.12534	10.3
391.13037	2.0
397.10281	1.9
399.11926	1.9
401.13657	2.6
425.13287	0.7
429.13068	5.4
431.14536	1.7
435.12097	1.6
439.15244	0.8
443.14703	1.2
447.13681	0.8
449.14017	0.6
453.13541	1.2
467.07892	1.1
467.14471	6.3
485.15546	7.0
487.13751	2.2
499.14221	0.7
511.13470	1.1
529.14447	1.2
547.15991	1.9
547.23120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1672
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
50.61605	1.1
56.77525	1.0
59.01387	21.7
60.99275	1.3
67.75156	1.0
68.79040	1.0
69.85500	1.0
71.01390	11.0
73.02956	3.0
77.66683	1.0
85.02941	3.5
87.00874	4.8
88.98814	4.1
89.02457	10.8
91.01913	1.9
95.01394	2.3
97.02946	2.1
99.00903	2.8
101.02441	7.3
103.84488	1.1
107.05081	1.3
111.00893	1.2
113.02467	6.6
117.03502	1.5
119.01364	5.4
119.03532	3.5
119.05009	1.7
120.81835	1.2
121.02918	6.3
123.04491	1.3
125.02469	1.4
134.03716	1.8
135.00961	1.3
135.04521	2.5
143.03477	1.7
147.00903	3.1
147.04491	2.8
149.02457	29.1
152.01112	2.0
161.04533	4.7
163.00375	4.9
163.04008	4.6
164.04805	28.1
165.01942	2.4
166.02777	1.2
175.00374	30.2
176.01094	1.5
177.01979	1.9
177.05521	3.0
178.06383	2.5
179.05620	8.0
179.07150	6.1
189.02036	1.4
190.02734	89.7
191.03418	9.0
193.01396	1.9
199.04056	1.6
203.03493	1.8
203.07320	1.6
205.05072	100.0
206.05824	12.0
207.02956	4.3
207.06590	2.2
208.03789	6.8
211.03944	2.4
213.01907	2.6
221.08223	15.9
223.06134	57.8
227.03481	7.3
229.01549	1.4
231.03000	4.1
232.03590	1.9
237.07672	7.2
250.04810	4.6
255.03000	7.4
265.07193	64.4
265.28287	1.1
266.07648	1.5
271.02533	1.7
295.08224	11.1
299.01999	23.2
325.09314	13.5
334.65771	1.1
335.58176	1.1
341.10812	2.3
367.10318	4.6
385.11334	4.7
397.44940	1.3
532.13812	1.4
547.16724	88.5
548.17139	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	547.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42994	6.4
57.03465	5.6
57.25256	5.4
59.01379	87.8
61.98813	6.3
64.71656	5.5
66.42389	5.5
68.37959	5.1
69.03463	7.3
71.01389	58.5
71.52917	5.4
73.02962	12.4
73.03377	4.9
75.01997	5.7
78.95922	6.7
85.02965	21.6
87.00896	8.7
88.98817	10.4
89.02452	30.4
95.01386	13.0
96.96004	8.7
101.02438	24.8
113.02458	37.6
114.95278	5.7
115.92113	5.8
116.92883	7.2
119.05006	5.5
121.02911	8.8
123.04559	6.7
123.99785	5.0
125.02456	11.7
131.07184	5.8
135.04553	49.6
147.00870	9.4
149.02449	43.8
151.00404	5.5
151.33272	5.8
152.01018	5.2
155.03610	5.5
161.02463	10.9
161.04568	15.1
163.00388	20.2
164.04843	26.4
166.76353	5.3
167.03510	5.7
171.04506	10.1
175.00342	26.5
179.05609	16.7
188.04652	6.6
189.02010	8.6
190.02715	72.2
191.03426	6.3
203.03517	19.6
204.92322	8.1
205.05092	85.1
206.05821	10.8
208.03830	12.4
211.03981	14.9
213.01913	6.1
215.03523	9.2
217.01430	18.2
221.08176	19.6
223.06178	58.2
227.03447	37.5
231.02979	31.1
232.03738	25.3
243.02979	10.8
247.06137	57.9
255.03078	31.9
265.07175	48.2
271.02380	9.3
281.00952	11.3
285.62790	5.3
295.08170	9.7
299.02011	100.0
385.11520	8.2
461.16617	17.2
503.17709	91.5
547.07556	17.2
547.16956	50.6
547.28070	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	547.1675
Annotation	Sibiricose A1
Peak:m/z	Relative Intensity
56.82242	9.2
57.03456	7.3
57.08762	7.4
59.01386	100.0
61.98838	13.5
69.78298	25.1
71.01386	70.8
72.99312	9.6
73.02949	17.3
75.20289	7.9
79.95779	11.1
81.00984	8.7
82.95428	10.4
83.01423	8.0
85.02964	30.2
87.00874	11.6
89.02459	48.8
95.01337	11.7
96.96021	39.8
96.96972	8.7
97.02945	10.8
100.99001	8.8
101.02473	52.8
103.21852	8.1
111.00897	9.2
113.02506	42.3
119.03519	13.9
119.05024	19.0
135.04459	9.1
137.06104	8.2
149.02469	17.3
161.02440	18.8
161.04556	22.7
164.04787	15.9
167.03458	16.3
175.00363	21.1
178.38875	8.3
179.05624	18.2
190.02754	40.9
197.71614	9.1
205.05081	79.2
221.06674	9.7
223.06126	39.1
443.15430	35.1
450.97717	9.8
461.16794	49.6
503.17688	22.9
547.16705	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	547.1676
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
50.66496	1.2
59.01385	25.7
61.98820	2.2
67.18426	1.4
69.32573	1.4
71.01393	19.2
71.41471	1.5
73.02961	2.1
76.21659	1.2
81.03505	1.5
85.02944	6.2
87.00879	7.4
89.02448	11.3
91.01932	2.1
93.03479	1.4
96.96011	2.2
97.02959	1.3
101.02465	9.8
113.02457	6.8
119.01391	4.1
119.03528	2.9
119.05053	1.4
121.02953	6.2
135.04532	2.5
141.01883	1.7
143.03517	2.3
147.00899	3.6
147.04547	3.1
149.02458	44.7
149.06248	1.5
152.01154	1.4
161.04524	3.8
163.03993	4.1
164.04817	40.6
165.02042	1.4
175.00391	25.2
175.47760	1.3
176.01059	1.3
179.05721	2.4
179.07176	7.2
181.55394	1.6
190.02740	82.5
191.03223	2.9
193.01390	3.0
205.05084	100.0
206.05743	7.2
207.03024	2.1
208.03870	6.3
221.08293	7.4
223.06137	80.8
235.05968	1.4
237.07700	3.1
250.04802	2.5
265.07184	28.7
266.07581	1.4
295.08319	11.5
325.09344	12.0
341.10883	2.1
367.10370	6.8
371.12039	2.1
385.11365	4.0
399.46945	1.6
481.48425	1.5
547.16748	70.1
548.17059	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	547.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73371	12.2
59.01377	100.0
61.98834	16.2
69.73129	45.3
71.01380	52.8
73.02940	35.7
78.59608	12.7
78.88440	11.7
82.95432	16.0
85.02939	26.7
89.02446	26.5
101.02441	30.9
110.81220	13.9
113.02468	32.9
119.05038	41.0
131.32846	12.8
134.85196	14.4
152.01196	16.0
154.43291	13.2
163.02541	14.0
191.41209	13.8
281.10312	49.3
299.11298	24.9
341.12338	44.9
541.40808	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	547.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60409	1.5
58.29214	1.4
61.98824	2.5
69.32217	6.0
70.01681	1.4
71.01377	4.8
78.95907	100.0
96.11024	1.6
99.92587	30.5
100.93407	10.0
104.97517	2.0
110.98518	16.1
115.92082	14.0
116.92870	20.4
123.42001	1.6
146.03476	1.7
150.98047	3.4
155.95309	1.8
163.89742	6.2
164.90475	13.4
164.99608	6.0
165.58138	1.5
167.01161	9.8
178.88441	21.3
179.89204	33.3
179.90656	2.5
180.90028	22.6
181.90787	11.3
189.00243	1.6
193.90784	50.3
194.91617	24.1
195.92393	1.8
196.49144	1.5
196.89507	87.2
210.91081	9.9
210.92699	1.9
235.91826	2.9
236.92451	2.7
241.92239	1.7
248.92702	5.3
249.93370	5.0
250.94212	6.5
252.92090	4.4
266.93616	5.1
267.94345	5.0
271.91061	1.8
279.23230	14.0
371.65051	1.7
379.15875	3.2
403.86240	1.9
440.01740	2.1
456.13943	2.1
499.15726	2.9
511.15570	1.9
529.16583	17.8
530.16742	2.0
543.14532	6.7
547.17719	96.4
548.17920	7.5
559.41229	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04252	0.8
51.65005	1.0
52.38749	1.2
52.40833	0.8
55.55378	1.0
57.03433	1.5
59.01373	1.2
63.65110	0.9
69.59732	3.0
71.01395	1.4
77.87289	1.0
81.03455	8.1
81.65349	1.0
83.01410	6.3
87.15310	1.0
88.98805	1.0
93.03471	1.3
95.01392	2.6
95.05067	5.3
96.95991	1.6
97.02957	3.3
99.04524	1.7
99.92604	1.2
107.05050	1.3
108.02132	1.1
109.02962	3.2
109.06577	1.3
111.00900	1.7
111.04530	2.4
113.02480	1.1
115.07679	1.5
116.92852	1.7
121.03012	2.4
123.04529	7.9
125.02460	9.1
135.04559	2.3
137.02451	8.4
137.06096	3.0
139.04010	4.4
139.07666	9.2
147.04562	1.9
149.02406	1.2
151.04001	3.0
151.11272	1.3
163.00215	1.1
165.01907	1.1
165.05586	2.9
167.03513	21.2
177.01985	1.2
178.09956	1.0
179.03419	2.1
179.10779	7.8
181.05075	2.5
181.08690	1.5
191.10730	1.4
193.05099	1.3
193.12376	2.6
195.10257	3.5
197.04637	3.0
197.11951	1.1
204.85374	1.1
209.04550	22.4
214.30914	1.0
217.05157	1.1
217.12450	1.0
219.10262	1.1
221.08260	1.3
221.11848	1.2
223.09731	8.2
235.09764	4.7
239.05669	8.5
243.06613	1.7
249.11270	3.4
265.10818	21.8
274.94714	0.9
277.10822	9.3
283.02612	1.3
284.03238	3.6
289.10611	1.2
291.12329	2.8
295.11960	6.7
299.05701	3.6
307.11896	100.0
308.12180	2.7
319.11823	3.9
321.13568	1.1
337.12952	73.6
338.13281	2.6
349.12918	4.9
367.14014	21.0
379.13785	1.9
391.13733	1.3
400.44476	1.1
409.15005	7.4
427.16071	17.8
439.16013	4.5
457.17615	1.9
463.40613	1.0
529.19104	2.5
547.20337	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	547.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	63.6
59.88651	17.1
65.53346	13.6
69.13992	100.0
81.54469	19.2
83.10236	16.7
94.34735	17.3
115.04015	24.1
126.77900	14.6
135.04549	20.7
146.75969	18.4
155.48355	19.0
202.71071	16.1
212.46002	18.0
249.92932	15.1
273.14828	19.7
344.17386	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	547.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.6
58.84524	1.8
59.01385	48.1
61.98827	4.6
69.47730	5.6
69.48115	3.8
71.01385	2.5
73.02954	5.3
78.95890	4.6
80.91691	25.6
82.95422	7.3
83.05022	5.4
85.02946	12.6
87.04534	6.0
96.96034	4.7
98.22668	3.4
99.92633	2.0
99.98224	1.9
113.02483	3.0
119.05043	2.9
129.36731	1.9
135.08194	2.9
141.01717	2.2
185.13290	2.2
189.12833	5.9
201.12836	6.6
203.14397	9.2
204.22664	2.0
219.13866	13.1
221.15514	4.2
273.18582	3.8
289.14523	14.6
291.19662	20.3
306.24057	2.1
343.15390	2.4
345.17108	10.8
367.15411	2.5
385.16412	6.0
405.19229	100.0
406.19363	2.7
415.18634	1.9
427.17297	14.2
453.05164	2.1
465.21390	5.2
487.18378	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	547.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76946	0.3
59.01381	1.6
59.71542	0.3
61.98836	5.0
73.10488	0.3
73.48301	0.4
78.95965	0.4
85.02943	0.4
103.07861	0.4
119.05035	0.7
162.38934	0.3
229.05099	0.7
229.08557	0.4
243.06648	4.8
244.07457	1.0
245.08273	0.8
257.08191	4.7
258.08932	0.5
271.09668	0.4
285.11365	1.8
299.12939	1.5
300.13583	0.4
311.13016	0.5
313.10889	2.5
313.14337	0.9
327.12479	2.0
328.13190	3.1
343.15536	100.0
344.15860	4.3
547.21741	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	547.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83463	0.6
56.80017	0.6
57.99652	0.6
58.25007	0.6
59.01384	100.0
66.65841	0.6
69.21037	3.7
75.90092	0.6
85.02959	0.8
85.06632	0.8
87.04549	2.1
97.02982	2.1
100.93371	3.2
101.90748	0.6
108.02204	0.7
113.06130	2.9
115.04025	55.0
115.07662	1.4
115.92101	6.3
116.04364	1.1
116.92855	0.7
124.01724	1.0
139.04039	11.3
141.05627	1.3
151.03674	0.7
157.05109	0.7
163.07707	1.1
175.06184	1.1
195.06699	1.0
213.07918	0.7
273.15118	2.4
329.17789	1.0
371.18866	3.4
396.37515	0.7
427.21487	1.1
487.23389	14.7
487.29868	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	58.4
69.06063	35.7
71.62283	5.7
74.31886	5.2
91.75793	4.5
113.06131	5.5
115.04028	100.0
116.04370	10.3
117.05578	16.0
134.49184	4.9
158.44089	5.3
164.32315	4.4
181.13911	5.2
195.06627	38.7
200.49936	5.4
229.16052	4.9
237.31029	4.5
400.97003	6.0
427.21045	8.5
487.23056	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	547.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88195	1.0
59.01385	100.0
61.98827	1.8
71.05013	1.6
85.02953	1.7
87.04513	1.4
97.02987	1.2
105.22514	1.0
105.38268	1.3
106.42728	1.2
113.06096	3.6
115.04029	59.7
115.92102	2.9
121.02943	1.6
124.76849	1.4
139.04062	8.3
141.05595	1.9
163.07713	1.4
195.06599	5.7
273.15012	2.0
281.35818	1.3
302.59506	1.2
329.17624	2.3
371.18484	2.8
386.68857	1.5
393.21893	1.2
487.23358	13.7
565.67224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08005	1.1
64.01942	5.5
65.00302	2.1
65.99853	37.5
67.78484	1.1
67.95255	1.0
69.33817	2.3
69.34217	3.4
74.40854	1.4
88.01943	1.1
89.99858	2.1
90.92742	1.0
96.07409	1.2
100.98215	0.9
105.02219	1.3
108.00909	2.9
132.00917	2.5
133.01695	3.8
148.00430	2.5
151.00380	2.5
161.01158	1.5
163.00359	3.3
169.06628	2.2
171.04561	5.5
175.99893	24.8
189.00732	3.6
208.07652	1.3
210.05563	1.5
213.05664	2.8
225.05537	1.2
236.07175	2.1
238.05064	5.3
252.06654	2.1
255.06662	14.7
267.06607	8.9
279.06732	1.4
280.06168	76.0
281.06564	2.4
389.61682	1.2
415.04916	1.2
548.13531	100.0
549.14038	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	548.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64261	0.5
59.01389	1.6
59.89884	0.4
61.98836	100.0
63.57490	0.5
64.58470	0.5
66.46458	0.5
69.54806	1.2
69.55212	1.8
84.99911	0.5
106.89900	0.5
119.05021	0.6
135.04581	0.6
141.88037	0.5
169.40359	0.6
187.07765	1.3
199.50031	0.5
202.06639	0.6
215.31149	0.5
231.10211	0.6
311.22363	1.0
312.22449	0.8
344.16006	1.3
533.92755	0.6
548.21899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47716	0.7
59.01392	1.9
61.98837	100.0
65.47798	0.7
69.14439	3.3
69.14841	1.3
79.78635	0.7
89.71565	0.7
98.22645	1.3
100.76439	0.8
119.05035	1.4
133.82751	0.8
135.04523	0.9
187.07664	1.3
202.06439	1.0
231.10088	1.2
236.69836	0.8
254.05933	0.7
343.15549	3.2
344.15921	7.7
353.09866	0.7
467.16760	0.9
548.24213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08361	2.2
59.01381	12.0
60.85985	2.0
61.98837	5.8
69.34193	4.8
69.34594	6.5
77.03970	3.3
89.10078	1.9
93.29280	2.0
98.21934	3.1
120.95606	2.1
121.02972	100.0
122.02467	6.1
136.04039	6.3
150.05508	2.4
159.79478	1.8
163.07610	2.9
165.01949	54.0
173.87257	2.3
181.06628	3.0
207.04538	2.0
225.05634	2.6
246.23203	2.2
273.14966	6.6
329.99268	2.2
548.20294	2.7
549.10345	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	548.206
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93647	33.0
100.02880	32.7
146.47737	39.0
147.08365	32.9
178.16423	37.1
225.87518	37.5
267.31805	35.4
360.06317	100.0
519.45465	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	39.1
69.19976	42.2
69.20372	18.7
70.64117	9.7
94.45477	10.3
108.79451	10.2
118.86779	15.5
122.02486	82.6
136.04028	100.0
150.05626	28.1
163.07661	35.5
178.05089	28.2
244.91081	11.1
273.14999	71.7
342.56845	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	548.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	5.8
65.05282	3.8
97.52108	3.6
113.02445	12.9
122.02502	100.0
133.01552	4.2
151.20308	4.1
157.84351	3.9
216.17340	3.5
257.43646	4.2
329.17215	5.3
377.04904	4.8
452.20786	48.9
453.21548	5.0
561.73798	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	548.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56332	2.3
59.01385	50.6
61.98839	100.0
70.60287	2.5
71.01401	5.6
73.51496	2.0
78.95918	2.8
85.02955	3.2
89.02426	3.9
93.03445	2.2
101.02467	3.6
113.02493	3.4
119.05038	7.4
135.04575	3.6
142.24986	2.1
175.07932	2.3
240.53236	2.4
249.73491	2.2
257.04190	2.7
311.12778	3.6
312.13190	3.6
333.67279	2.4
343.15506	25.7
344.15897	53.1
345.16782	2.3
389.34354	2.2
416.92502	2.6
489.34668	2.8
548.22418	3.5
549.22687	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	548.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06164	7.9
59.01393	11.2
69.21950	25.8
69.22381	35.0
87.04499	100.0
92.05954	8.4
115.03999	56.7
273.15005	18.3
329.51047	10.0
503.99768	11.2
570.88818	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	548.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43312	13.5
54.38027	11.4
55.28593	12.1
60.42858	10.2
63.63007	12.7
68.74080	9.9
69.27781	69.5
97.06618	13.7
97.22390	11.5
101.06091	72.1
109.37385	11.2
113.06120	33.9
115.04012	96.5
115.07653	100.0
119.08652	13.7
143.07152	35.5
163.07721	25.9
171.06622	12.8
187.60490	11.5
209.36229	11.2
273.15005	68.8
317.48834	12.4
360.42120	12.9
419.31192	13.8
445.22485	21.6
477.11887	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	22.2
69.24422	100.0
69.24831	34.8
72.06154	22.3
80.60293	17.1
81.88965	19.3
98.22678	33.8
116.31870	18.3
118.04370	18.0
144.90427	17.0
264.88715	20.6
307.51532	29.4
312.05591	25.8
409.57837	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	548.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63186	0.9
59.01388	51.5
60.97533	2.6
63.48636	1.1
65.15363	1.0
70.18359	2.1
70.18704	1.1
72.97546	2.4
73.98328	4.1
85.06584	1.5
86.02489	27.6
89.00678	55.9
90.98610	1.1
114.01459	1.3
114.03861	2.8
114.82719	1.1
115.02267	3.2
119.05051	1.9
120.01250	2.5
151.11269	1.3
158.02882	2.5
159.08147	1.1
175.86572	1.1
176.03893	17.2
187.11325	1.2
187.20015	1.1
219.17714	1.2
257.19113	1.2
267.19745	3.9
291.19595	4.8
299.02167	1.8
300.02332	1.5
305.21268	4.7
311.18732	12.8
321.18698	4.7
329.19638	5.3
339.20044	15.1
357.21078	100.0
358.21344	4.8
364.23218	3.2
371.20639	2.4
382.01981	1.2
383.19095	3.8
401.20065	4.7
408.22131	6.8
419.21182	4.8
426.23160	6.4
427.22934	1.0
444.24277	84.9
445.24347	4.8
447.12817	1.5
452.21201	1.6
461.22083	2.9
470.22250	9.5
488.23312	17.5
489.23431	1.5
506.24390	11.4
530.24152	2.3
548.25476	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80733	6.1
58.53986	5.4
59.01385	63.1
61.98836	100.0
68.94919	5.7
69.34692	32.0
71.01400	9.6
78.95936	7.6
84.88133	5.7
85.88152	6.4
108.48150	6.0
113.02431	12.8
117.03464	5.7
119.05032	22.6
135.04550	13.4
174.38008	8.2
241.14182	5.8
242.25311	6.0
259.58087	6.5
263.07565	6.6
301.21719	23.1
548.24628	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	549.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.2
60.99313	17.1
69.12610	13.9
71.01362	1.9
88.98812	100.0
106.75386	2.3
113.02467	4.1
137.02502	2.3
144.57019	2.3
231.43115	2.4
268.03720	4.5
271.17032	3.2
283.06149	3.7
329.17670	3.7
345.17062	15.8
549.23590	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	549.0894
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01371	3.6
65.00327	4.8
66.37312	0.8
69.33965	4.5
71.01372	1.4
76.72012	0.8
78.95870	0.8
85.02909	0.9
85.59692	1.0
96.96023	6.6
98.22665	1.6
101.02475	1.1
105.75967	0.9
109.02954	1.6
110.00123	8.5
111.00882	1.2
116.92869	2.1
116.99757	0.8
119.05042	1.2
119.81458	0.8
123.00878	1.0
133.02972	5.3
134.03743	1.6
135.04559	4.9
136.98827	4.0
137.02429	2.0
137.99596	2.3
139.00412	1.7
159.04517	1.0
164.98260	1.9
165.01959	1.3
165.99075	6.6
166.64505	0.8
166.99913	1.0
171.04398	1.1
172.05380	1.3
173.06067	1.0
174.03262	1.2
175.04022	1.9
183.04482	1.2
185.02507	0.8
187.04048	1.3
188.04808	1.3
189.05554	1.0
198.03133	1.2
199.04021	2.7
200.04805	1.8
201.01982	2.4
201.05614	2.7
202.02711	1.1
211.04050	1.7
213.05586	1.2
216.04295	2.0
226.02687	1.1
227.03525	4.7
227.48853	1.0
228.04300	2.6
229.04955	1.5
239.03601	1.2
243.02979	3.4
255.03047	7.0
257.04523	1.1
271.02527	5.7
272.03195	1.4
283.02502	3.0
286.04895	1.7
297.04144	7.4
299.02045	7.2
300.02780	78.2
301.03561	100.0
302.04016	4.9
311.10593	0.9
327.09747	1.0
387.11987	1.0
394.70099	1.0
429.12787	1.1
445.07758	9.0
463.08878	42.8
464.09302	2.7
505.09940	82.7
506.10336	5.6
546.56348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64848	0.4
65.31339	0.4
69.47629	1.8
77.03976	1.7
104.17204	0.4
121.02972	100.0
122.03313	1.3
143.00917	0.4
163.07660	0.4
165.01952	53.4
166.02223	0.8
180.05872	0.4
181.06577	2.4
197.06126	2.2
199.07634	0.5
207.04607	0.7
225.05586	1.5
257.09766	0.7
313.07086	1.5
357.06146	0.8
383.08081	0.5
417.09592	2.0
505.11554	1.4
549.10461	25.8
550.10651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	59.6
69.03446	2.0
69.33565	3.4
69.33955	5.9
71.01395	17.9
71.05000	2.1
73.02957	25.5
73.53609	2.0
78.95909	4.2
83.01404	8.2
85.02959	7.2
87.00856	2.6
89.02456	13.8
96.96033	12.9
96.96971	4.7
98.22632	4.3
101.02445	21.2
103.39563	2.0
110.00105	5.0
113.02476	8.8
118.38143	2.0
119.03512	3.8
119.05044	6.2
138.23759	1.8
161.02353	3.5
161.04530	3.6
164.98294	2.6
165.12851	2.2
165.99051	3.3
166.99876	2.5
179.14409	2.4
189.05553	4.4
265.21695	2.3
283.13583	4.5
285.04037	3.9
286.04877	12.4
301.07172	29.2
301.14471	12.9
313.14426	2.7
327.15970	2.7
327.21710	6.1
345.17041	3.4
345.22980	3.6
463.19772	7.2
489.21442	4.7
489.27359	4.7
505.26440	7.5
507.22076	11.3
507.28500	7.8
513.27020	6.9
549.23083	61.2
549.29413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03455	4.8
59.01381	3.6
68.99813	0.7
71.01382	3.6
72.99302	0.7
73.02958	0.9
73.19048	0.6
75.00877	29.8
78.95907	1.0
79.96233	0.6
81.39491	0.6
83.01385	1.3
85.02956	22.5
87.00896	1.0
88.01682	0.6
89.02417	0.8
90.56250	0.6
95.01389	3.3
95.90224	0.6
99.00908	1.1
101.02464	0.7
112.01685	0.7
113.02454	6.5
117.01949	0.7
118.22749	0.7
129.01926	2.2
131.08253	0.8
145.05067	2.5
147.02994	2.2
155.76540	0.7
157.01369	1.7
169.66927	0.8
173.10368	1.3
189.04068	5.0
207.05106	100.0
208.05559	2.0
225.21251	0.7
283.49405	0.7
307.25922	0.6
354.12585	0.6
503.16211	0.9
550.08319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54888	0.4
55.01875	1.5
55.17225	0.4
57.03457	4.0
59.01379	3.6
67.01891	0.7
68.99821	0.7
71.01391	3.2
72.99353	0.9
75.00879	27.1
83.01395	1.1
85.02956	21.2
86.00093	0.4
87.00880	0.7
88.01663	0.6
89.02454	0.5
95.01402	3.1
95.01916	0.4
96.55741	0.4
98.22689	1.1
99.00884	1.1
112.01665	0.5
113.02464	6.4
117.01956	1.1
126.70836	0.4
129.01923	1.9
145.05077	2.4
147.02983	1.9
157.01408	1.4
189.04086	3.9
207.05109	100.0
208.05493	1.9
222.24014	0.4
255.28172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1983
Annotation	Eucommin A
Peak:m/z	Relative Intensity
52.85553	1.0
55.47241	1.0
55.86497	0.8
59.01380	3.7
69.10780	5.4
71.01380	3.1
71.85702	0.8
81.33948	0.8
85.02950	1.5
89.02429	1.2
93.03461	1.4
101.02466	1.9
109.02954	1.1
113.02489	1.4
121.02969	3.7
122.03753	3.1
133.02992	1.6
135.04504	0.8
136.01689	28.1
137.02502	6.9
145.48820	0.8
149.02489	1.4
151.00423	11.2
151.04028	41.3
152.04895	1.2
161.02396	1.1
161.04625	1.5
164.50719	1.1
166.02739	36.8
167.03345	1.2
177.01988	1.9
177.05632	1.2
181.05093	44.1
190.06319	1.0
245.73656	0.9
301.03693	1.3
311.10190	0.9
337.08246	1.2
355.09402	0.9
357.09772	7.8
358.10089	1.0
372.12228	7.3
387.14542	100.0
388.14972	4.1
389.18460	1.0
398.71146	1.0
401.88840	1.1
462.89743	1.0
544.99182	0.9
549.29633	1.9
550.30212	0.9
555.11078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52197	0.3
56.05862	0.3
57.58261	0.3
59.01387	7.2
60.28880	0.3
61.98860	0.5
67.10162	0.3
71.01393	4.7
71.42085	0.4
73.02955	2.3
74.38458	0.3
80.52178	0.3
83.01455	1.1
85.02958	2.4
89.02451	1.9
93.03562	0.3
95.01472	0.5
97.02999	0.6
99.00957	0.5
101.02443	2.8
109.14830	0.3
113.02464	2.1
115.75369	0.3
117.05634	0.6
119.03572	0.7
119.05080	0.6
135.04585	0.7
159.03082	0.4
161.02562	0.5
161.04582	1.8
165.05672	0.3
175.04146	0.4
203.07315	0.5
225.13026	0.4
243.10379	0.5
253.08633	0.4
255.10355	0.7
257.11923	0.4
268.11221	0.5
269.11758	1.1
269.14194	2.0
273.15063	0.5
283.10156	0.6
283.13458	2.0
285.11459	0.9
286.12042	0.7
287.05612	0.9
299.12973	0.7
301.14481	16.1
302.14740	0.7
305.21198	0.5
309.14935	0.5
313.14398	0.7
315.12521	0.4
327.16019	6.0
329.13971	0.9
343.15515	1.0
343.84656	0.3
344.16281	1.2
345.17087	100.0
346.17389	5.0
351.21954	0.5
427.30447	0.4
459.57278	0.4
469.27960	1.0
489.21320	1.2
505.26749	0.5
507.22150	0.4
513.27106	6.9
549.23285	15.6
550.23755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10444	0.3
55.32547	0.4
57.03461	0.5
59.01382	2.6
65.00397	0.7
69.52180	1.0
71.01427	1.4
72.99390	0.5
73.03000	0.6
85.03005	1.2
87.00935	0.6
88.98820	1.9
98.81793	0.4
99.00951	0.5
101.02522	0.5
113.02441	2.0
119.05037	0.6
152.01253	0.5
152.25386	0.4
154.23802	0.4
164.98289	0.4
167.03479	0.5
175.02533	0.5
177.05632	1.3
177.09332	0.7
178.10020	2.1
183.13971	1.1
187.07710	0.4
217.08621	0.5
243.10397	0.6
257.11954	0.9
268.03561	0.5
269.04645	1.2
269.07770	0.5
271.13452	0.8
283.16910	2.0
285.14951	1.8
297.07721	0.6
298.43356	0.4
300.66589	0.4
301.18097	13.2
302.18457	0.6
327.16043	1.7
344.16376	0.9
345.17090	100.0
346.17383	4.8
354.69073	0.4
387.18045	0.7
461.09503	0.6
549.23364	19.2
550.23938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80577	0.3
59.01385	19.9
61.98841	0.7
69.07789	2.5
71.01391	3.4
73.02948	1.1
83.01367	0.7
85.02966	2.0
89.02455	0.5
95.01400	0.6
101.02444	1.5
113.02464	2.4
114.60928	0.4
119.05032	0.8
123.04523	0.4
124.81083	0.3
134.03674	0.3
135.04585	0.4
161.04509	0.6
164.15561	0.3
174.80699	0.3
175.04028	0.8
176.04802	0.5
189.05573	2.0
215.07269	0.5
215.14166	0.4
227.14409	0.7
228.57715	0.4
232.07466	0.9
241.08727	0.6
243.13902	0.8
251.99927	0.4
255.10280	0.8
256.11029	0.7
267.10233	0.7
269.11908	1.9
270.12601	0.9
271.13416	54.3
272.13718	2.0
295.13303	0.6
297.14972	10.6
298.15396	0.6
299.12921	1.3
301.14316	0.5
313.14468	3.3
314.15298	1.9
315.16031	46.6
316.16306	2.2
343.15509	0.5
344.16138	1.4
345.17087	100.0
346.13742	0.6
346.17493	5.3
377.36002	0.4
489.21976	0.4
489.34332	8.0
490.34952	0.4
507.35522	4.7
549.23480	42.6
550.23712	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	549.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62169	0.3
58.83430	0.3
59.01389	3.8
59.89848	0.3
61.98843	1.5
62.61045	0.3
69.24080	1.5
70.11014	0.3
71.01398	1.4
73.02951	0.5
84.02175	0.3
84.95126	0.4
85.02972	0.4
87.00935	0.3
88.98809	0.7
91.94540	0.3
92.02690	0.4
93.02000	0.3
93.03483	1.7
93.76288	0.3
95.40903	0.3
101.02481	0.7
113.02483	0.6
117.03549	0.5
119.05058	0.7
135.04549	1.0
136.01682	0.8
137.02481	3.5
139.83086	0.3
151.04024	0.4
176.05069	0.3
179.03471	2.8
184.56352	0.4
201.05609	2.5
202.06383	0.9
203.07198	0.9
209.04510	0.8
215.07195	0.8
216.07878	1.5
218.75298	0.3
229.08728	0.5
230.09605	0.4
231.10286	0.6
239.05589	2.3
243.10347	0.4
245.08286	0.6
257.11865	0.5
257.15604	0.3
258.12604	0.4
259.09738	0.6
273.15320	0.4
285.11456	1.2
286.12180	1.4
299.07840	1.1
301.14478	17.8
302.14810	0.7
327.16071	5.2
329.14017	1.3
341.58368	0.3
343.15604	1.1
344.16315	1.1
345.17096	100.0
346.17435	4.8
549.23505	19.5
550.23712	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	549.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01442	1.9
61.98901	0.2
69.50768	0.7
71.01459	0.5
73.03001	0.4
74.28111	0.2
75.98569	0.2
76.31453	0.2
85.03014	0.3
88.26596	0.2
89.82990	0.2
101.02531	0.4
113.02516	0.4
133.03090	0.2
135.62967	0.2
161.02553	0.5
175.04079	0.3
181.01431	0.2
188.04930	0.3
189.05688	0.8
196.82709	0.2
229.08777	0.3
239.20015	0.2
244.11081	0.2
253.08771	0.2
255.10376	0.6
268.11172	0.4
269.11856	3.3
270.12332	0.2
271.09824	0.4
271.13348	0.2
273.15057	0.5
281.12021	0.3
283.09860	0.7
283.13373	0.8
285.11484	0.8
286.12051	0.3
287.05640	0.4
295.13403	0.5
299.12988	0.9
301.14478	18.1
302.14911	0.6
313.14395	1.3
327.12866	0.2
327.16040	5.5
328.16327	0.2
329.14005	0.6
343.15567	1.5
344.16370	0.9
345.17093	100.0
346.13181	0.3
346.17435	4.9
411.42719	0.2
489.21140	0.2
513.26630	0.2
549.23260	13.5
550.23956	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	549.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45868	0.2
59.01389	2.1
61.98834	0.8
69.30389	1.1
71.01384	0.4
72.05879	0.2
73.02951	0.2
73.34814	0.2
76.34756	0.2
77.30862	0.2
78.95920	0.3
84.77367	0.2
85.02972	0.4
98.22626	0.4
101.02480	0.4
119.05066	0.3
122.03770	0.3
123.04532	1.0
127.51765	0.2
134.03818	0.2
135.04523	1.6
147.15771	0.2
154.39214	0.2
161.04651	0.2
161.05956	0.3
161.09660	0.2
163.07755	0.2
188.04836	0.3
189.05553	1.2
201.05472	0.3
214.06503	0.3
225.09175	0.5
233.08183	0.6
234.08955	0.4
239.10817	0.4
240.11617	3.6
241.12160	0.4
242.13229	0.3
253.08688	1.5
255.13901	2.9
257.15622	0.5
265.12418	0.4
266.13165	0.6
267.10330	0.9
268.11072	6.6
268.13983	0.3
279.10309	0.2
281.15549	0.6
282.12692	0.3
283.13416	6.5
283.16660	0.4
284.14127	0.8
285.11298	0.3
294.12637	1.2
297.11465	1.1
299.16486	1.3
300.13760	0.3
301.14471	2.5
305.05682	0.3
309.15109	0.4
311.12997	0.4
312.13696	13.8
313.14160	0.7
326.14160	0.2
327.16000	3.3
329.13986	0.9
343.15533	0.7
344.16263	1.3
345.17081	100.0
346.17404	4.7
372.12115	0.3
489.34656	1.0
499.22919	0.2
507.35968	0.4
549.23486	14.2
550.23834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.1
57.03446	5.2
58.00607	2.0
59.01384	100.0
61.16937	1.2
61.98835	9.1
71.01388	89.7
72.99308	2.9
73.02951	16.2
75.00885	2.4
79.95773	2.3
81.39842	1.1
83.01389	11.0
85.02959	29.0
87.00881	11.1
89.02455	59.2
95.01397	6.0
96.96034	3.9
97.02997	3.1
99.00879	7.0
101.02448	62.4
111.00896	1.9
113.02462	43.0
119.03516	30.8
123.08202	2.4
125.02486	3.0
131.03525	14.3
135.04526	1.4
138.86545	1.1
139.00443	1.2
143.03503	8.1
159.03041	5.5
161.02562	1.7
161.04581	39.7
163.11317	3.7
179.05637	48.2
189.12874	3.3
195.13959	2.1
207.13968	4.2
221.06677	39.7
225.15068	4.7
263.07755	20.2
285.04074	2.0
387.20285	46.5
388.20694	2.2
549.25726	55.3
550.26099	1.6
567.56506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77465	1.0
55.01869	4.0
57.03454	4.8
58.00595	1.5
59.01385	84.9
64.81477	0.8
70.77811	1.7
71.01389	69.5
72.99316	2.4
73.02958	13.2
77.84766	0.8
79.95748	8.3
83.01392	11.9
85.02469	1.7
85.02959	30.7
87.00892	4.9
89.02454	43.9
93.03449	1.0
95.01399	7.5
96.96013	7.5
97.02953	2.6
99.00903	5.6
101.02451	59.6
111.00916	1.7
113.02464	32.9
113.03261	1.7
114.86340	0.8
119.03516	18.9
123.08142	1.3
125.02425	4.2
129.01938	1.4
130.98384	0.8
131.03494	2.9
143.03528	5.0
159.03011	3.3
161.04587	22.3
179.05656	10.0
189.48830	1.8
195.13936	3.3
221.06668	4.7
225.14903	6.3
229.75063	1.0
236.97873	7.2
237.48088	1.2
299.01883	2.5
301.03546	1.0
314.04230	1.7
315.04932	1.4
365.84802	1.1
369.19037	1.1
387.20264	100.0
388.20599	5.2
417.32156	1.0
459.53949	1.1
549.25574	95.5
550.25891	6.1
574.96509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.03067	1.0
64.40593	1.0
69.13725	3.3
69.14127	2.6
71.05035	7.1
87.04523	27.5
97.02968	3.6
111.04542	1.6
113.06110	2.5
115.04026	19.9
117.05595	49.3
139.04024	12.9
147.70821	0.9
197.08156	5.8
289.05457	1.1
329.17636	1.3
331.19171	4.1
401.23175	1.3
419.24457	2.1
429.22491	1.3
447.24271	1.2
489.24728	3.3
507.83960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15405	14.3
54.89968	13.6
57.02886	13.6
69.10289	100.0
71.71223	14.2
98.21894	30.2
112.04438	16.6
123.13051	13.9
152.39320	13.9
177.27679	13.9
198.42766	14.5
267.23370	31.6
269.04547	23.5
277.21725	40.4
558.44446	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	549.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22642	0.2
52.79077	0.1
57.08195	0.1
65.11948	0.1
65.96363	0.2
69.02255	0.1
69.05807	1.0
71.01370	0.2
78.70675	0.2
78.95917	1.6
79.69936	0.2
79.95747	2.6
80.37213	0.2
94.98090	0.2
96.96020	100.0
96.96895	2.8
97.95963	0.4
98.21902	0.4
118.28840	0.1
166.78995	0.1
210.80991	0.2
475.49695	0.2
486.29398	0.2
557.88983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.90363	4.5
69.90755	4.8
99.78706	2.1
152.99593	3.8
173.69873	2.3
325.18521	2.9
418.24628	2.3
437.30569	5.1
467.31555	3.4
508.88269	2.4
533.43634	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	550.115
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	1.3
65.00332	6.0
65.99831	1.6
83.01398	3.6
96.00916	1.2
98.21822	2.7
107.01409	6.8
121.02952	1.4
130.47260	1.2
136.00458	7.3
137.25195	1.0
140.44887	1.2
145.06598	3.1
151.00407	10.4
152.00784	1.4
163.99898	4.4
169.06564	2.3
171.04510	5.1
181.06624	3.1
185.06102	2.2
187.07703	1.7
193.06602	1.8
194.06061	2.0
195.04555	1.6
208.05315	2.0
209.06046	5.3
211.07622	4.7
213.05536	7.5
222.05632	24.4
237.05589	21.3
250.05125	15.2
251.05762	1.5
255.06644	54.6
256.07117	1.9
262.05157	2.7
264.06696	1.6
266.04703	1.6
268.06186	11.9
269.04489	1.6
278.04718	1.9
281.04602	10.4
334.07260	2.2
378.06195	1.3
462.13654	2.8
506.12381	2.5
550.11462	100.0
551.11993	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	550.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95259	1.1
64.01915	3.3
65.00333	1.8
65.99847	12.1
68.99792	1.6
69.81348	1.5
69.81696	3.9
74.47538	1.1
76.44012	1.1
80.73132	1.2
95.13278	1.2
96.00909	5.1
108.00933	3.0
108.53787	1.2
136.00421	21.6
136.98767	2.0
163.99902	19.5
169.06581	2.6
171.04506	4.1
175.99905	7.4
197.13054	1.2
198.05563	1.4
202.39574	1.2
212.07161	1.6
223.04015	1.5
224.07147	1.6
226.05048	2.6
232.02374	1.6
240.06602	3.8
244.02625	2.0
268.06174	26.8
269.04544	17.8
280.06180	21.0
344.45038	1.3
402.39810	1.3
446.05176	1.8
456.18994	1.3
550.11475	100.0
551.11780	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	550.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32767	1.8
58.42350	1.8
59.01385	73.6
59.28467	1.8
61.00441	16.4
61.98836	3.4
66.29442	2.0
68.84055	2.3
69.60004	8.3
71.01389	17.8
73.02953	5.2
78.95922	4.2
83.01429	3.5
85.02961	6.8
86.33072	2.0
87.53716	2.2
89.02455	6.6
92.61593	2.1
96.96004	6.9
98.21906	2.6
101.02443	9.9
111.99618	6.5
113.02438	7.1
116.92896	4.6
119.03513	2.6
136.99098	5.8
161.04588	3.0
161.53105	2.0
166.01781	68.0
180.35381	2.2
195.06578	2.5
202.15840	2.1
209.45168	2.4
228.02951	100.0
235.11826	12.6
277.13043	2.5
321.15366	2.8
550.25244	4.9
551.24866	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	550.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63960	2.6
61.98835	100.0
64.08464	2.4
71.43713	3.0
75.29315	2.5
78.87655	2.4
78.95908	7.3
87.04585	2.8
93.22537	2.4
96.96041	4.7
105.25658	2.8
112.27348	2.9
115.03211	3.7
115.04021	71.6
122.02498	38.7
136.04060	21.4
150.05649	6.3
167.07220	2.6
177.37766	2.5
179.89270	2.8
195.06676	4.7
311.16721	3.0
514.14447	3.6
550.24573	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	550.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.4
61.98838	100.0
62.09843	2.9
62.14730	2.8
69.08897	6.0
69.09293	18.8
78.95953	3.0
91.09789	4.1
99.04514	4.7
116.51089	3.1
122.02498	44.9
122.03345	5.1
137.06473	3.1
212.60425	3.2
246.11894	3.3
386.49185	3.5
548.29840	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	550.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54422	0.3
56.31224	0.3
59.01374	0.6
59.70934	0.3
69.59037	0.7
69.59417	0.6
71.05032	0.5
78.03497	1.2
78.95940	0.4
85.02966	0.6
87.04519	3.0
96.96027	0.6
97.02938	0.7
97.06595	0.9
102.01784	0.3
104.05061	0.8
107.05045	0.6
108.02178	0.8
108.04550	1.3
109.06592	0.8
113.06069	0.8
115.04022	100.0
115.32472	0.3
116.04362	1.2
119.08673	0.4
120.04585	0.4
122.02493	51.8
123.02780	0.5
136.04059	21.2
140.46478	0.3
148.04033	0.5
150.05620	9.8
151.07642	0.5
153.05565	1.6
163.07634	0.4
165.09099	0.4
173.06058	0.4
178.05029	0.6
178.06375	0.6
189.05695	0.3
195.06650	7.6
202.05078	0.4
261.11331	0.5
265.14825	0.4
269.80914	0.3
271.13388	0.4
273.14859	0.3
309.18582	0.6
311.16412	1.0
313.14386	0.4
325.17862	0.3
327.19614	1.9
343.19156	0.6
365.20984	0.9
371.18527	1.6
378.16968	0.5
383.22018	0.4
404.38934	0.3
427.21307	2.6
428.63986	0.4
434.19836	3.9
550.24524	7.3
551.24524	0.4
574.39612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02990	1.3
59.01382	2.7
61.98827	1.0
66.93507	0.7
69.52976	1.0
69.53371	1.8
71.01395	1.0
72.00900	1.2
73.04076	2.0
74.18171	0.7
79.14689	0.7
80.03790	0.8
81.04586	4.3
87.05648	3.6
89.02443	3.6
93.04591	12.1
99.02040	0.8
108.05685	1.6
109.04087	1.7
110.02499	2.0
110.07256	27.0
126.06739	2.3
128.03580	1.4
129.06717	3.4
129.10355	4.0
134.03761	0.7
135.04547	1.5
136.05174	2.5
137.03592	6.3
139.00514	0.6
139.08784	1.2
140.07158	1.6
144.07816	7.6
151.08719	3.6
154.06244	52.3
155.08282	4.0
164.04659	0.9
165.05627	1.2
168.07872	3.8
168.11429	2.0
169.09848	1.7
186.08864	6.3
186.12616	1.0
193.05063	1.0
195.06754	0.7
197.16617	1.2
207.15024	0.9
209.12967	0.7
223.15607	6.0
225.16058	2.7
227.10484	0.8
239.15189	3.1
242.18686	2.8
249.05463	1.1
249.13498	1.0
253.87653	0.9
267.14600	1.6
277.15616	2.2
281.16364	3.6
281.19409	0.8
299.17288	3.0
306.40018	0.7
336.24069	4.5
393.26044	1.9
464.29959	0.9
550.30011	100.0
551.30164	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	551.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03444	0.7
59.01381	3.1
60.99315	3.8
61.56017	0.8
65.00326	0.7
67.64488	0.7
69.43628	3.7
71.01401	2.8
75.09596	0.7
85.02952	2.5
88.98815	16.8
95.01380	1.0
98.22581	1.0
99.00915	1.0
107.01420	1.8
111.00895	1.1
113.02468	3.3
115.90178	0.9
133.03012	4.4
135.04494	4.0
139.00383	2.0
149.02464	1.8
151.00398	4.0
153.01981	1.2
153.76242	0.9
161.02480	1.2
163.03967	1.0
166.99905	3.0
171.07928	1.0
175.02692	1.0
175.04051	4.4
178.12083	0.9
189.05571	1.3
190.06401	1.9
191.07173	2.2
193.05115	1.1
193.44434	0.9
199.03967	1.8
205.08725	2.6
208.07442	2.5
217.05087	1.3
227.89125	0.9
241.05290	1.0
285.04077	100.0
286.04440	3.9
303.05133	5.6
337.09195	0.9
351.16229	0.8
357.06216	1.2
359.15024	11.7
461.07288	31.6
462.07849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.0
56.77151	2.8
59.01386	71.9
67.55677	3.2
69.13114	19.1
71.01395	53.9
72.01706	2.8
73.02951	22.3
75.00865	4.3
83.01396	7.3
85.02964	24.0
87.00922	3.6
88.98811	3.8
89.02459	19.9
91.69550	2.7
95.01407	7.2
96.95963	3.4
99.00899	7.5
101.02454	43.9
113.02437	24.3
119.03513	8.1
123.04486	3.1
133.02988	3.4
143.03516	3.8
148.36243	3.0
159.03033	4.6
161.02460	8.2
161.04579	22.6
167.03519	17.2
185.06062	5.1
187.03975	4.5
213.05557	5.9
227.12889	3.6
236.08473	2.8
285.04077	100.0
286.04337	4.6
307.22540	4.5
328.22052	3.6
347.18347	4.5
351.21646	11.8
356.97165	5.3
374.93683	7.0
382.98608	4.4
388.16510	3.7
461.07333	51.4
465.26859	3.1
469.27875	6.4
507.28055	12.6
508.28986	5.1
513.27051	67.6
514.27399	17.7
515.27832	9.8
550.29645	21.0
551.24182	3.5
551.30951	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	551.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13750	0.7
65.00346	1.7
69.53114	3.2
91.83854	0.7
104.02726	0.9
124.85760	0.7
136.98808	1.3
136.99857	0.7
160.01758	1.9
164.01239	1.0
164.98344	2.0
171.04539	1.1
176.01186	1.7
177.99168	0.9
188.01169	1.5
204.00674	1.8
206.07578	0.9
216.00679	1.8
221.06093	1.0
232.00095	4.6
233.06143	1.2
234.06979	0.9
246.06920	0.8
250.06538	1.1
253.05177	1.1
258.99127	0.8
259.02222	1.0
259.99664	3.8
260.04620	0.8
261.05637	1.6
262.06735	0.8
267.03101	1.0
269.04520	11.1
274.06430	0.9
277.05136	1.1
289.05106	2.7
290.05975	4.5
305.04498	1.0
306.05319	2.3
309.04074	1.2
316.04001	0.9
317.04453	1.4
318.05585	1.8
333.04132	1.2
334.04785	6.8
344.03299	2.2
345.03958	0.8
346.04874	5.0
349.07175	2.5
361.03568	3.0
362.04242	4.0
372.02869	3.0
373.03513	1.1
387.05124	1.1
389.03027	2.8
390.03845	93.9
391.04102	4.8
405.06134	17.2
405.11212	0.9
406.06235	0.9
408.82385	0.9
445.10269	2.1
508.14066	2.6
512.40479	0.8
536.07550	17.0
537.07819	1.5
551.09869	100.0
552.10260	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	551.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09097	0.9
59.01377	5.5
60.99310	7.4
69.05172	7.0
71.01385	2.1
73.02948	1.5
77.26606	0.9
84.70800	0.9
87.69009	1.0
88.59927	1.0
88.98814	49.4
98.21914	2.4
108.02164	1.0
115.80078	0.9
126.31911	1.0
159.31087	1.0
174.39673	1.2
188.04831	2.9
196.64824	1.0
203.07167	1.5
215.07039	2.0
269.04611	1.3
271.13477	6.7
285.07733	2.9
285.15033	3.0
285.18640	9.4
297.14825	2.0
303.15985	3.9
315.15994	3.7
329.13760	1.3
329.17563	19.3
330.97021	1.0
347.15048	1.5
347.18744	1.9
447.19971	1.1
465.21121	2.7
491.22958	3.2
504.73383	1.2
507.22116	5.6
509.24234	3.6
527.19812	1.1
533.23859	1.7
551.25055	100.0
552.25439	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48751	1.4
56.36527	1.1
57.03469	1.5
59.00024	1.4
59.01389	2.1
61.98832	18.7
68.62209	1.3
68.94603	1.1
69.27841	1.3
69.28199	8.4
71.01381	2.6
73.18981	1.1
81.03460	7.1
83.01405	3.2
83.60963	1.4
85.02966	2.9
93.03462	2.6
95.01352	1.7
95.05042	3.3
97.02911	2.8
98.21864	1.9
98.46788	1.5
99.04523	5.0
101.02466	1.9
108.02195	4.5
109.02962	54.2
113.02453	3.8
121.02961	9.8
122.03772	1.6
123.00892	2.4
123.04542	2.3
124.01635	1.6
125.02457	19.6
133.02927	2.6
134.03754	18.9
137.02449	16.9
139.03999	2.0
147.04520	3.0
148.05338	1.8
149.02466	11.1
149.06094	4.4
150.03232	20.8
151.00359	6.4
153.01996	3.1
160.01663	2.6
163.00343	1.6
163.03984	1.7
164.04796	1.7
165.00543	1.9
165.01939	32.3
165.05569	23.9
167.03513	57.5
175.03966	7.0
176.01108	1.5
176.04790	3.0
177.01973	7.8
178.02716	7.9
178.99883	2.7
180.04196	1.3
189.05560	2.9
191.07170	2.7
193.01436	20.3
193.05070	36.9
194.05394	1.5
195.06613	18.9
199.04036	2.9
213.05553	1.9
217.05115	7.2
220.03798	1.7
235.06119	8.6
241.05092	3.3
257.04379	1.4
259.06125	6.7
261.73331	1.3
265.07111	2.5
282.09042	3.0
285.04068	20.8
303.05118	100.0
304.05432	3.5
341.10315	8.1
383.10922	2.9
389.12631	8.9
431.13504	3.5
507.11435	33.4
508.11145	1.6
549.27698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46072	0.3
65.00329	1.4
69.11923	1.9
76.08635	0.3
92.99835	1.0
105.88536	0.3
120.99361	1.6
132.51149	0.3
136.98833	3.0
137.00542	0.9
137.99115	0.3
148.98822	0.8
149.00533	0.3
164.98682	0.3
164.99976	1.9
165.07120	0.5
179.09033	0.3
181.06633	0.8
185.04602	0.3
185.06128	0.4
187.02106	0.3
191.01556	0.3
191.98683	0.4
192.99498	2.1
197.06123	0.6
206.00298	0.4
209.06116	0.6
215.01569	0.4
219.01111	0.4
225.05566	2.3
231.01137	1.1
247.00623	0.4
253.05037	2.2
259.00626	2.3
269.06366	1.0
272.01416	1.3
275.00031	0.4
281.06326	0.7
287.00107	4.5
297.05801	8.4
300.00839	1.1
307.07892	1.1
314.99619	5.1
315.99911	0.4
316.96271	0.3
321.05707	0.7
328.00500	0.5
335.07321	0.9
342.94864	0.4
342.99039	8.0
343.12720	0.3
349.05475	0.4
351.53647	0.3
355.99716	0.7
363.06937	2.5
373.99203	0.3
375.07010	0.5
376.07758	0.7
379.06284	1.6
387.01303	0.5
390.05798	0.3
391.06378	6.8
403.06192	1.4
404.07227	2.1
405.04019	0.5
418.05841	0.6
419.05875	16.8
420.06268	1.1
432.06635	1.1
437.07028	0.4
446.05414	0.8
447.05353	36.7
448.05771	1.4
460.06064	1.9
465.06088	0.4
481.11273	0.5
495.12802	0.6
495.24268	0.3
509.10464	1.5
523.12134	3.3
551.11639	100.0
552.11951	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	551.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45895	0.5
59.34495	0.6
60.25594	0.6
64.46970	0.6
65.00317	1.7
69.72908	0.9
69.73256	1.7
81.03456	0.8
83.49546	0.5
87.00884	100.0
88.01227	0.8
89.95684	0.5
95.01369	0.7
103.34630	0.6
110.00150	0.8
111.00882	2.0
112.09404	0.5
112.98831	4.5
123.00900	0.7
124.01656	2.9
130.99872	2.0
135.00911	0.9
136.98817	2.2
139.00391	2.5
152.01186	2.5
153.01942	0.6
163.00356	1.1
164.98285	2.1
165.01990	0.8
166.99924	1.3
171.04514	1.0
173.06129	1.8
177.64273	0.5
193.01410	0.8
209.06154	1.2
219.54678	0.6
225.05580	2.4
227.07117	0.9
235.06129	6.7
243.06633	11.1
253.05067	2.4
255.06682	1.2
267.06592	2.1
269.04553	6.0
270.07864	1.6
271.06116	37.7
272.06534	0.8
279.05191	0.9
280.06134	0.7
297.07730	5.0
341.06625	5.2
355.17700	0.6
386.07068	0.7
387.01682	2.0
405.05884	0.6
445.10110	0.8
551.14905	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	551.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12290	0.7
65.00324	2.5
68.99834	1.0
69.18522	3.1
80.95610	0.7
87.00883	100.0
98.21830	1.4
111.00922	1.4
112.98833	4.5
124.01675	2.8
130.99889	2.8
136.01627	1.0
136.98828	1.8
139.00380	2.3
142.72368	0.8
147.05687	0.8
152.01135	2.0
159.05617	1.7
164.98277	1.1
165.01929	0.9
166.99910	1.5
171.04500	2.4
173.06084	1.2
183.05641	1.6
187.05165	4.0
207.21057	0.9
208.48053	0.8
211.05182	2.6
225.05646	1.8
235.06262	5.3
236.06042	0.8
243.06638	10.2
253.05090	2.7
267.07019	0.8
269.04593	3.6
271.06125	33.4
279.04718	2.1
297.05096	2.3
297.07953	3.8
341.06430	3.9
352.82590	0.8
359.10693	1.0
383.10443	3.1
387.01495	1.0
401.11514	5.5
427.09317	8.9
445.10446	23.0
464.34604	0.7
551.14764	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	551.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17568	0.8
65.00314	1.2
68.99829	1.0
70.27348	2.0
71.54367	0.8
87.00894	2.1
98.22606	0.9
105.88226	0.8
110.42559	0.9
143.06129	1.5
145.04083	1.3
146.04832	1.1
147.05647	5.2
153.52991	0.9
159.05630	4.1
162.25378	0.8
167.06134	1.3
171.04541	4.7
183.05658	4.7
185.07162	1.6
187.05133	9.2
209.07213	3.4
209.20174	0.9
211.05167	8.3
223.05179	1.7
224.05836	1.1
227.04697	0.9
229.06129	1.8
235.05106	3.3
251.04842	0.9
253.06023	1.5
254.06876	1.0
255.04201	1.3
279.04053	4.6
297.05179	12.2
327.11575	0.9
341.09186	2.2
355.10889	1.3
359.10199	2.8
383.10422	11.3
384.10651	1.3
401.06357	1.7
401.11450	28.1
402.11801	2.8
427.09357	32.2
428.09869	1.3
445.10425	100.0
446.10696	5.7
533.13605	1.9
551.14594	21.8
552.14960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19368	0.6
53.09838	0.6
53.85371	0.5
65.00322	1.5
68.99815	0.7
69.80050	1.9
86.46175	0.5
87.00881	14.7
98.21663	0.5
112.98847	0.6
119.02502	1.3
137.45313	0.6
143.06136	0.7
145.04053	0.6
146.04861	0.8
147.05676	4.1
155.06148	0.6
159.05684	4.3
162.14450	0.5
167.06198	1.5
169.06612	1.0
169.26244	0.6
171.04529	6.8
183.05638	4.4
185.07220	1.8
187.05150	11.2
195.04434	1.0
197.07278	0.8
207.05647	0.9
208.06509	0.7
209.07181	1.9
211.05142	8.1
223.05107	1.6
225.06760	1.3
229.06171	1.9
235.05046	3.9
236.05968	0.7
237.03046	0.9
243.06604	1.6
249.03085	0.8
251.04639	1.6
253.05244	0.8
254.07047	0.8
255.04041	1.6
269.04581	0.8
271.06100	5.0
273.10388	0.7
279.04126	5.0
297.05164	11.8
299.08200	0.6
313.09845	0.8
315.11624	0.9
341.09204	2.6
359.10434	4.1
368.07452	0.6
373.11703	0.9
383.10400	12.8
384.10486	0.9
401.11447	25.5
402.11838	1.7
427.09363	32.5
428.09637	2.3
445.10425	100.0
446.10687	5.5
533.13562	1.7
551.14685	32.7
552.14911	3.2
567.28040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67739	1.4
59.01382	3.5
63.69715	1.4
65.00320	4.9
65.93131	1.4
65.99856	4.7
66.28146	1.3
69.09609	6.9
71.02605	1.3
78.95902	2.9
85.48372	1.3
90.03492	2.7
90.73199	1.6
96.00932	1.9
101.03929	1.5
101.14102	1.3
108.34521	1.4
133.01698	1.7
133.04128	2.0
134.02493	37.9
135.09596	1.6
136.00430	11.8
151.00403	1.5
157.04175	2.2
159.01952	2.4
161.03601	4.0
162.01991	1.8
163.99913	13.2
165.00632	2.8
165.05544	3.0
168.08165	5.8
169.06485	1.6
171.04509	3.4
175.02711	2.9
175.99924	2.6
176.03549	11.9
180.08231	1.6
187.05142	1.6
189.00670	3.4
189.03082	3.6
197.06192	1.4
200.03700	1.8
201.03076	4.2
202.01520	3.7
202.39227	1.7
203.04526	2.1
210.09166	7.2
212.07213	2.2
213.05714	2.6
217.00110	2.0
218.00949	1.5
220.07735	1.5
220.72638	1.3
220.82710	1.6
224.07211	3.2
227.04643	1.9
228.03027	2.0
230.01006	8.9
238.08691	3.9
240.06744	5.4
242.08025	2.0
244.02534	3.1
252.06697	2.3
253.02396	1.8
254.07951	1.5
255.06598	16.7
268.06180	51.1
269.04529	6.4
269.06927	3.2
270.07748	11.9
272.02097	4.2
277.21744	5.0
280.06128	5.9
281.02039	2.4
282.07816	3.9
293.06955	4.3
294.07718	4.3
296.05576	2.3
299.03110	5.1
321.06485	4.8
322.07211	13.7
333.08713	4.3
341.04150	3.4
348.08807	3.4
357.08765	2.2
375.09848	6.6
376.08218	2.5
382.14243	3.9
385.08261	11.4
401.11392	2.2
403.09387	100.0
404.09705	6.2
437.15237	2.2
445.10458	36.0
446.10602	2.5
502.29416	4.4
507.15985	8.2
533.13104	1.6
551.14746	14.9
552.13788	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	551.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	15.5
63.99585	0.5
82.11755	0.5
85.02925	0.5
88.98813	100.0
90.10592	0.4
92.12477	0.5
97.79093	0.5
111.63433	0.5
146.42174	0.5
179.17960	0.5
218.00259	0.5
260.55954	0.5
306.15076	0.5
351.46680	0.6
461.16507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1777
Annotation	Cucurbitoside B
Peak:m/z	Relative Intensity
55.50645	0.2
59.01385	2.6
59.47449	0.3
68.14305	0.2
69.34363	0.7
69.34775	0.6
70.43749	0.2
71.01385	1.5
71.39356	0.2
72.99323	0.4
79.95742	0.3
85.02973	0.6
89.02457	1.3
93.03468	38.5
94.03780	0.6
96.96006	0.6
99.00905	0.9
101.02458	0.6
113.02441	1.2
119.03522	0.4
119.05034	0.7
137.02463	100.0
138.02722	1.3
143.03568	0.3
152.61948	0.3
165.01924	0.9
167.03503	0.8
180.04291	0.4
195.06601	0.5
199.22223	0.3
221.08252	0.3
225.07724	0.4
265.07126	0.4
269.04565	0.3
389.12561	0.9
413.14444	1.6
431.15622	1.0
551.17664	7.6
552.18030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83637	0.2
51.10387	0.2
59.01383	2.3
69.34684	1.0
71.01382	1.1
72.99287	0.4
73.02940	0.4
77.16939	0.2
85.02953	0.7
89.02467	1.4
93.03466	40.3
94.03790	0.6
96.96026	0.7
97.02969	0.2
99.00899	1.2
101.02469	0.5
108.02202	0.3
111.00880	0.2
113.02454	0.7
116.67283	0.2
119.03560	0.3
119.05050	0.7
123.04533	0.3
137.02457	100.0
138.02791	1.6
149.04605	0.4
154.87729	0.2
161.04538	0.2
165.01970	0.6
166.02716	0.3
167.03490	1.5
180.04315	0.3
208.89798	0.2
209.04457	0.4
223.06117	0.3
225.07791	0.3
265.07227	0.5
301.01910	0.2
359.15131	0.3
389.12384	0.5
413.14746	1.7
414.14636	0.3
431.15619	1.2
551.17517	5.8
552.18506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67306	0.2
59.01383	2.5
59.40997	0.2
61.98809	0.2
63.02393	0.3
65.00332	1.7
65.82195	0.2
70.07663	0.3
70.07994	0.4
70.14604	0.1
71.01390	2.4
73.02952	1.4
81.18999	0.1
82.86443	0.2
83.01401	0.6
85.01860	0.2
85.02962	0.9
85.55799	0.2
89.02462	0.5
91.01901	10.5
92.02271	0.2
95.01395	0.3
99.00873	0.3
101.02467	1.6
108.02184	7.4
109.02988	0.3
111.00895	1.0
113.02462	1.1
119.04993	0.2
123.00903	0.4
123.04537	31.6
124.01672	0.7
124.04846	0.6
125.02538	0.2
132.95885	0.2
135.04478	0.2
137.02466	0.2
139.00439	0.2
152.01175	3.9
161.04570	0.4
167.03508	100.0
168.03860	1.8
209.04428	0.3
269.10324	0.3
291.20938	0.2
347.18396	0.4
353.87021	0.2
383.13385	0.3
401.14395	0.2
473.12927	0.4
507.27304	0.2
551.17725	1.4
551.24634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	9.6
69.07304	14.0
71.01378	6.4
71.13982	1.9
79.95749	26.2
81.95331	2.2
85.02966	2.8
87.55286	1.8
88.98816	3.2
89.02412	1.8
93.03461	3.9
96.96014	12.8
101.02453	7.9
111.00908	4.2
113.02458	7.4
115.51173	2.0
117.03485	2.7
119.05014	2.0
121.02987	11.7
122.03747	9.2
126.17905	1.8
132.02142	2.2
133.02998	12.0
134.03755	45.2
134.04726	3.6
135.04584	2.8
136.01689	2.0
137.02431	4.0
139.00523	2.0
145.02966	8.6
147.04523	8.1
148.05304	6.4
149.02463	17.4
149.06081	14.0
150.03244	76.7
151.00406	2.2
151.04089	1.8
151.35298	1.9
160.01669	18.1
161.02437	6.8
163.04031	2.2
164.04784	4.6
165.01933	3.4
165.05588	92.4
175.04036	22.3
176.04810	22.4
177.01939	5.2
178.02718	23.4
180.04225	9.0
180.94426	2.2
191.07132	21.8
192.04196	2.0
193.05077	100.0
194.05502	2.4
195.06628	78.6
196.99959	3.8
217.05035	3.1
220.03810	5.1
221.08267	2.3
228.98160	2.4
235.06126	60.1
236.97763	14.6
237.97824	2.7
247.06145	2.5
250.06361	4.7
265.07172	19.9
282.08920	4.3
285.04056	10.0
295.08215	10.4
299.01962	5.2
300.02673	3.5
307.08340	9.7
314.04407	5.3
315.05099	2.1
341.10321	31.0
355.11493	2.3
383.11374	12.0
389.12372	24.8
413.12030	2.2
431.13599	22.4
465.14996	2.4
501.53207	2.6
551.17908	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	551.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75219	1.0
55.01869	2.8
57.03454	6.9
59.01384	39.5
61.98853	1.9
69.03432	1.5
69.31212	6.3
71.01385	29.2
72.99312	4.0
73.02958	6.5
73.22789	1.0
75.00877	26.7
83.01397	3.1
85.02964	34.5
87.00890	9.3
88.98862	1.4
89.02478	4.3
95.01422	2.8
97.02942	2.2
99.00893	11.3
101.02461	10.6
111.00932	1.1
113.02456	28.8
113.13470	1.3
115.00375	4.2
119.03545	1.2
119.05058	1.4
125.02528	1.4
132.29262	1.1
135.04535	1.7
157.01398	1.4
161.04562	3.2
162.49724	1.0
175.02467	2.8
178.04695	1.1
178.58287	1.1
188.04825	1.6
189.05656	1.3
190.02815	1.3
191.52403	1.2
205.05070	1.2
271.13406	4.0
285.15005	2.0
289.16660	5.7
303.16022	3.7
315.16174	2.6
329.17465	5.6
347.18781	5.7
359.36395	1.5
367.10349	1.5
397.82135	1.2
421.20670	1.6
465.20316	2.5
491.22809	2.2
507.20862	100.0
508.21359	6.1
509.24365	2.7
551.25037	67.4
552.25659	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	551.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43444	0.6
59.01372	2.7
71.01402	1.5
73.04087	0.8
82.95432	1.4
85.02971	0.6
89.02467	0.9
89.06711	0.7
91.50548	0.7
96.96025	1.9
98.02499	0.9
101.02456	1.0
113.02450	0.9
116.92794	0.6
117.03388	0.6
119.05008	1.0
121.02970	2.9
132.02165	1.1
133.03006	0.8
134.03749	3.4
135.04480	1.3
137.02431	1.1
139.00397	1.0
144.07787	3.1
145.02908	3.0
147.04527	3.5
148.05113	0.7
152.25543	0.6
160.01645	3.7
161.02473	1.9
161.04617	1.0
162.03221	4.1
163.04031	5.6
164.07129	0.8
165.01860	0.6
173.06091	1.0
174.03241	2.9
174.08870	0.7
175.04007	19.0
176.04851	3.8
177.05513	1.7
177.50781	0.6
180.04276	3.9
180.35883	0.6
188.04759	3.6
189.05602	6.0
190.06349	18.5
191.07158	14.2
192.04248	0.7
193.05069	9.8
194.05768	2.7
203.07245	2.0
204.07928	0.8
205.08705	14.4
206.09021	0.7
207.06564	3.5
208.07426	21.6
222.09045	5.5
223.06102	0.8
223.09790	1.7
226.45801	0.7
235.06084	4.6
265.07111	1.8
269.04568	1.8
285.04071	1.8
295.08243	1.9
323.23105	0.6
344.12616	3.6
356.96884	0.8
357.14435	1.4
358.14902	3.6
359.15009	100.0
360.15424	4.9
370.48935	0.6
371.15189	0.7
389.16104	2.5
431.09848	0.7
450.69400	0.8
509.20074	0.9
533.16541	1.8
533.24554	5.8
550.98004	0.8
551.25024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43444	0.6
59.01372	2.7
71.01402	1.5
73.04087	0.8
82.95432	1.4
85.02971	0.6
89.02467	0.9
89.06711	0.7
91.50548	0.7
96.96025	1.9
98.02499	0.9
101.02456	1.0
113.02450	0.9
116.92794	0.6
117.03388	0.6
119.05008	1.0
121.02970	2.9
132.02165	1.1
133.03006	0.8
134.03749	3.4
135.04480	1.3
137.02431	1.1
139.00397	1.0
144.07787	3.1
145.02908	3.0
147.04527	3.5
148.05113	0.7
152.25543	0.6
160.01645	3.7
161.02473	1.9
161.04617	1.0
162.03221	4.1
163.04031	5.6
164.07129	0.8
165.01860	0.6
173.06091	1.0
174.03241	2.9
174.08870	0.7
175.04007	19.0
176.04851	3.8
177.05513	1.7
177.50781	0.6
180.04276	3.9
180.35883	0.6
188.04759	3.6
189.05602	6.0
190.06349	18.5
191.07158	14.2
192.04248	0.7
193.05069	9.8
194.05768	2.7
203.07245	2.0
204.07928	0.8
205.08705	14.4
206.09021	0.7
207.06564	3.5
208.07426	21.6
222.09045	5.5
223.06102	0.8
223.09790	1.7
226.45801	0.7
235.06084	4.6
265.07111	1.8
269.04568	1.8
285.04071	1.8
295.08243	1.9
323.23105	0.6
344.12616	3.6
356.96884	0.8
357.14435	1.4
358.14902	3.6
359.15009	100.0
360.15424	4.9
370.48935	0.6
371.15189	0.7
389.16104	2.5
431.09848	0.7
450.69400	0.8
509.20074	0.9
533.16541	1.8
533.24554	5.8
550.98004	0.8
551.25024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10310	0.4
55.01886	1.1
57.03460	4.0
59.01386	28.4
68.99850	0.4
69.03458	0.8
71.01389	26.1
72.99317	4.0
73.02947	3.5
75.00880	15.2
77.69422	0.4
79.95751	1.7
81.03495	0.4
82.04287	0.4
83.01400	1.5
85.02959	25.3
87.00896	6.1
89.02451	9.2
93.03477	0.5
95.01394	5.5
97.02960	0.5
99.00894	6.1
101.02454	7.5
102.49467	0.5
103.00374	1.3
111.00906	1.0
112.01688	0.6
113.02463	30.5
115.00364	2.6
117.01932	1.2
119.03547	2.5
125.02415	0.6
129.01930	1.5
157.01431	2.0
161.04527	0.4
171.08174	2.9
175.02489	7.8
182.24541	0.5
183.13885	0.9
193.03381	0.6
195.13933	6.6
203.10899	0.7
209.12140	0.4
213.14940	3.6
233.11789	0.7
235.04355	17.9
236.04584	0.6
246.93350	0.5
329.17358	0.9
331.01123	0.5
341.23624	0.4
346.17587	1.1
347.18552	6.0
357.19351	0.8
375.20261	24.5
376.20471	1.0
405.60263	0.5
417.21140	0.5
489.23471	1.4
491.22037	0.5
507.24603	1.6
533.22308	1.3
551.23547	100.0
552.23895	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	551.2495
Annotation	Tricalysioside F
Peak:m/z	Relative Intensity
55.01869	1.6
57.03428	1.3
59.01386	30.5
69.03447	1.1
69.69559	3.4
71.01395	7.2
72.10457	0.9
72.30251	0.8
73.02954	13.9
76.87537	0.9
78.95916	1.1
83.01372	2.3
85.02968	4.7
87.96238	0.8
89.02452	1.4
97.02957	35.8
98.21791	0.8
99.00885	3.2
101.02451	7.2
108.02180	1.2
111.43088	0.8
113.02460	2.6
121.06628	1.4
123.04543	2.1
125.02431	1.3
135.04561	1.9
137.06125	0.9
153.09221	1.5
161.04581	1.3
163.00160	0.9
227.50925	0.9
257.19232	1.3
263.05472	0.9
267.17499	1.1
271.16986	3.7
273.18680	4.1
283.17108	1.3
285.18692	6.2
293.01608	1.0
301.18091	6.1
303.19934	1.0
311.16476	1.5
315.15891	1.3
317.17493	5.0
329.17599	53.3
330.17953	1.5
345.17059	6.9
346.17871	4.6
347.18658	100.0
348.19110	3.7
389.19720	2.6
413.19699	1.0
491.22910	32.3
492.23468	1.8
509.24106	8.0
551.25061	48.4
552.25067	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	551.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93470	0.3
53.30907	0.3
58.47792	0.3
59.01379	3.1
71.01404	0.6
71.42811	0.4
85.02962	0.6
85.19369	0.3
97.02982	0.4
101.02471	0.6
110.21693	0.3
123.04593	0.4
123.51495	0.4
128.03580	0.7
128.90149	0.6
129.01959	1.0
129.05614	0.4
144.94414	0.4
149.22498	0.4
150.03189	0.3
154.43922	0.4
157.41037	0.3
164.08412	0.4
165.05600	0.5
167.03537	1.6
184.23518	0.4
209.61235	0.3
215.10809	1.0
217.12349	1.9
224.53491	0.4
227.10754	0.5
241.12312	0.6
255.13860	1.6
257.15628	0.4
269.15414	3.3
270.16156	2.0
283.17078	0.8
284.17755	0.5
285.18619	68.2
286.18948	2.9
301.18118	0.9
302.47348	0.4
329.17603	100.0
330.17929	4.0
346.17834	0.9
347.18646	76.5
348.18967	3.1
359.04019	0.6
374.06314	0.9
389.08929	1.9
491.22656	2.1
509.23633	0.5
551.25037	40.2
552.24927	2.3
560.66309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22735	0.2
53.76788	0.2
54.31207	0.3
57.40865	0.3
59.01384	1.7
59.98674	0.2
62.22327	0.2
63.96993	0.2
69.17764	1.5
71.96440	0.3
74.14059	0.2
99.51096	0.3
102.57507	0.3
128.00648	0.2
163.07684	0.3
229.12381	0.4
242.13211	0.3
244.14772	0.5
257.15533	0.7
269.15543	0.4
271.17166	0.5
273.18588	3.2
285.18573	1.6
287.16507	0.7
288.13885	0.6
299.16629	0.4
301.18173	0.9
303.19650	1.1
317.17603	3.9
329.17596	2.6
331.15579	0.3
345.17087	1.1
346.17801	0.9
347.18652	100.0
348.19031	4.0
370.80756	0.3
491.23251	1.3
499.39514	0.3
551.25031	32.3
552.25323	1.9
563.14221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
71.01386	0.5
74.22874	0.2
77.08124	0.3
91.01880	0.3
120.25107	0.2
123.04537	0.7
145.17255	0.2
147.27997	0.2
152.01103	0.4
167.03517	2.6
202.10057	0.3
215.10730	1.5
217.12375	2.0
227.10631	0.6
255.13876	1.7
268.14786	0.7
269.15506	3.6
270.16116	1.5
283.16937	0.6
284.18021	0.5
285.18619	69.5
286.18976	2.1
329.17603	100.0
330.17926	3.8
345.16757	0.2
346.17999	0.5
347.18652	88.6
348.18887	3.7
388.76700	0.2
491.22678	1.6
509.23883	0.3
551.25031	42.9
552.25452	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	551.2506
Annotation	Tricalysioside F
Peak:m/z	Relative Intensity
50.49786	0.4
59.01387	3.5
61.98845	1.1
69.19415	2.2
71.01405	0.9
73.02957	0.8
78.95941	0.6
85.02965	0.9
87.04520	0.4
89.02470	0.6
101.02477	0.6
103.04056	0.9
113.02462	0.5
119.05067	0.9
130.44977	0.4
135.04575	1.8
139.00339	0.4
141.12547	0.4
201.05576	0.5
202.06377	1.4
246.09113	0.5
255.10344	0.4
269.11951	0.8
270.12805	0.7
277.69888	0.4
285.14981	16.1
286.15381	0.5
311.16589	4.2
313.14722	0.9
327.16092	0.7
329.17612	38.9
330.18057	1.8
345.17126	1.1
371.18738	0.8
373.16492	0.9
388.18887	1.2
389.19724	100.0
390.19986	4.3
432.45245	0.4
551.25043	30.7
552.25305	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	551.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.03463	1.2
58.00603	0.3
59.01385	100.0
60.01713	0.3
61.98829	0.5
65.51362	0.2
69.03471	0.4
69.11690	1.1
69.12102	0.5
71.01389	14.3
72.99335	0.3
73.02952	9.6
74.20648	0.3
83.01392	3.1
83.05048	1.0
85.02962	5.7
87.00892	0.6
89.02462	5.5
89.21608	0.2
93.03468	1.0
95.01414	0.6
97.02948	0.5
97.06617	0.2
98.21863	0.4
99.00900	0.9
101.02457	10.3
113.02460	6.5
115.70391	0.2
117.03504	1.0
119.03510	1.8
119.05008	0.3
125.02469	0.6
131.03477	0.7
135.08240	0.5
137.02451	0.9
137.09753	0.3
143.03522	0.9
147.04550	0.4
149.02473	0.8
149.04581	0.5
151.00381	0.8
159.03033	0.5
161.04568	4.2
163.88364	0.2
164.89795	0.2
179.05652	0.8
189.12857	2.0
191.14445	0.5
203.05617	2.0
205.15944	0.4
233.64796	0.3
261.18774	0.4
268.03867	0.3
269.04572	13.3
270.04816	0.5
275.20175	0.9
281.06824	0.3
285.15372	0.4
285.18610	1.5
287.20160	0.9
288.17322	1.2
303.19693	30.5
304.20117	1.0
329.17548	1.4
347.18707	3.9
363.38647	0.3
389.19635	1.3
447.23740	0.4
465.24924	2.8
507.26144	0.9
551.12128	5.2
551.24963	8.1
552.12231	0.5
552.25391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53196	1.2
59.01385	43.2
59.47309	1.2
61.98841	1.8
62.34647	1.2
62.83257	1.1
65.02000	1.1
71.01392	12.5
73.02937	4.8
77.17596	1.1
80.02681	1.3
82.27735	1.3
83.01405	2.4
85.02953	5.0
89.02444	4.0
90.48071	1.2
99.00928	1.8
101.02462	10.0
113.02453	5.0
117.05589	3.6
124.01668	10.7
125.02473	1.5
137.02449	1.4
161.04541	2.1
166.05930	1.3
186.06877	4.7
187.07649	9.1
189.09233	4.7
213.09235	1.8
230.09428	1.7
231.10367	3.9
257.15472	6.5
270.12482	1.7
271.13177	1.8
273.15332	1.4
285.15021	38.2
286.15280	1.9
303.16068	2.4
307.22595	1.5
311.16553	5.3
315.16122	2.2
329.17606	94.8
329.42267	1.5
330.17960	4.3
345.17026	4.2
346.17578	5.6
347.18634	96.7
348.18900	3.7
367.21719	1.4
411.95663	1.3
465.26923	1.9
469.28287	1.4
470.80402	1.5
489.27673	1.4
491.22922	2.3
507.28189	24.2
509.23965	3.4
513.27179	9.9
515.28296	3.2
551.25018	100.0
552.25378	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	551.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53196	1.2
59.01385	43.2
59.47309	1.2
61.98841	1.8
62.34647	1.2
62.83257	1.1
65.02000	1.1
71.01392	12.5
73.02937	4.8
77.17596	1.1
80.02681	1.3
82.27735	1.3
83.01405	2.4
85.02953	5.0
89.02444	4.0
90.48071	1.2
99.00928	1.8
101.02462	10.0
113.02453	5.0
117.05589	3.6
124.01668	10.7
125.02473	1.5
137.02449	1.4
161.04541	2.1
166.05930	1.3
186.06877	4.7
187.07649	9.1
189.09233	4.7
213.09235	1.8
230.09428	1.7
231.10367	3.9
257.15472	6.5
270.12482	1.7
271.13177	1.8
273.15332	1.4
285.15021	38.2
286.15280	1.9
303.16068	2.4
307.22595	1.5
311.16553	5.3
315.16122	2.2
329.17606	94.8
329.42267	1.5
330.17960	4.3
345.17026	4.2
346.17578	5.6
347.18634	96.7
348.18900	3.7
367.21719	1.4
411.95663	1.3
465.26923	1.9
469.28287	1.4
470.80402	1.5
489.27673	1.4
491.22922	2.3
507.28189	24.2
509.23965	3.4
513.27179	9.9
515.28296	3.2
551.25018	100.0
552.25378	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	551.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	54.9
61.98830	6.6
71.01401	18.3
73.02953	8.2
83.01404	5.2
85.02963	11.6
87.00880	3.1
101.02460	13.0
113.02449	8.7
167.03462	2.4
169.94627	2.3
230.44530	2.0
285.20828	3.4
329.06754	6.9
329.23251	4.3
347.18613	32.4
348.18933	3.7
447.26291	15.2
465.27347	11.8
488.15210	2.4
491.28534	3.6
507.28192	100.0
508.28467	6.5
509.29831	2.5
549.61572	2.2
551.24286	6.1
551.31000	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03442	2.1
59.01385	51.9
61.98812	1.5
65.74899	1.1
69.40749	5.5
71.01389	18.8
73.02949	8.5
83.01394	4.0
85.02967	8.6
87.00892	3.6
89.02456	1.9
93.03465	1.6
95.01385	1.9
99.00895	1.9
99.08199	1.7
101.02445	13.4
108.03764	1.2
111.00903	1.2
113.02464	8.0
119.03528	2.0
125.02471	1.5
129.09248	3.2
133.02937	1.7
135.04512	1.4
161.04590	2.1
167.03392	1.6
228.23361	1.2
239.20166	1.4
285.20804	5.8
303.21820	4.7
329.06845	2.5
329.23254	1.9
338.68039	1.1
347.18634	17.9
347.22855	2.0
347.24506	1.9
429.24707	1.6
443.19504	1.3
447.25961	14.0
465.27072	13.6
491.28656	4.9
507.28174	100.0
508.28430	5.8
509.29620	2.6
543.97723	1.2
551.25024	3.3
551.31317	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68316	31.8
59.01371	100.0
61.98808	33.6
63.71112	29.9
70.67063	72.4
78.95908	34.6
96.96026	70.6
117.16078	33.9
158.77684	32.4
177.09190	35.6
183.01276	31.0
217.88118	32.9
280.90829	30.2
420.43933	39.7
469.16113	48.3
561.73499	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04249	15.9
57.33682	13.9
69.11565	100.0
72.63183	15.6
77.39642	16.6
80.86028	15.8
98.22715	31.2
99.24164	16.1
101.51949	13.6
178.55978	16.5
279.23456	21.5
311.16946	18.5
469.15717	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	552.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.1
61.98834	100.0
65.00311	5.1
69.80692	13.1
71.01382	9.4
85.02953	15.1
98.22000	6.5
99.00865	6.8
113.02459	31.8
163.00334	5.5
164.98387	4.8
167.09886	4.7
175.02515	15.1
203.10265	4.3
209.09996	4.9
209.98723	4.3
283.02606	24.0
288.68460	4.8
298.04947	31.4
313.07254	50.6
449.78458	5.3
455.97775	4.3
512.01239	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	552.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01339	4.6
60.11537	5.3
65.00327	9.7
65.99850	13.7
68.99816	10.7
71.40727	5.7
78.56559	5.2
85.86353	4.6
90.24912	4.5
110.91915	5.2
119.01511	4.9
119.43767	5.7
120.00929	5.0
131.04930	4.9
136.87581	4.5
138.65466	4.4
163.61577	5.7
171.04539	39.1
173.01138	5.9
174.99170	7.6
175.99907	14.3
201.00586	5.7
213.05486	5.6
221.97011	5.6
227.99356	6.3
236.72466	5.2
268.06244	8.6
269.04596	14.4
280.06223	17.6
296.05704	7.4
304.06296	13.0
320.05811	8.6
328.06302	6.7
334.66061	6.6
348.05304	7.3
361.06082	12.4
362.06735	11.9
378.06451	8.1
389.05392	10.0
404.07751	19.5
406.05652	8.0
416.04291	7.1
431.06281	6.1
446.08643	9.5
476.11655	7.6
492.11130	9.5
508.13901	11.7
520.10150	24.5
534.11627	7.4
552.13049	100.0
553.13184	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	552.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01940	1.5
65.00322	2.3
65.99851	8.5
68.99824	1.5
69.09171	3.6
83.01399	0.8
83.13708	0.6
95.01365	0.9
96.00920	1.4
96.99320	1.3
99.00880	2.1
103.27299	0.7
108.00915	1.3
110.02485	0.8
111.00874	0.9
112.03223	0.6
120.00900	0.9
123.00890	2.4
123.03271	0.9
124.01665	0.7
134.02501	1.9
135.03259	1.8
136.00441	4.9
136.01367	1.0
136.98790	1.7
139.00401	3.2
141.07062	0.7
143.05049	0.9
145.06555	1.3
148.05920	0.7
151.00426	3.1
151.02756	1.6
152.01164	1.6
163.99918	5.0
164.98329	1.5
165.00679	0.8
166.01471	1.1
166.99840	3.2
169.06615	0.8
171.04497	4.8
172.04016	0.7
173.06064	1.4
174.02020	1.0
175.99899	5.4
189.00661	1.0
190.01451	0.6
191.99290	0.8
192.03058	1.3
193.93401	0.7
198.05736	0.6
198.13310	0.7
200.07140	0.8
201.05574	1.8
213.05513	1.4
218.00943	0.7
224.07170	0.8
225.05519	1.3
226.05028	0.9
227.07057	0.8
229.05060	5.4
236.07201	0.8
238.05070	1.3
240.06639	1.2
242.08253	16.0
243.06567	3.4
252.06697	1.6
253.05042	3.9
253.21899	0.8
255.06606	5.3
268.03653	1.1
268.06158	9.3
269.04565	2.7
270.07730	34.5
271.06018	7.2
278.08261	1.2
280.06161	15.1
281.04315	1.0
283.06049	1.2
294.07651	0.9
296.05692	3.8
296.09042	1.2
302.22495	0.7
336.08841	0.8
348.08795	0.8
364.08270	0.7
376.08456	1.1
393.62750	0.6
405.08060	1.0
412.11969	6.5
413.12213	1.2
436.11734	0.8
448.06812	5.5
454.13007	16.2
455.12906	1.0
466.71423	0.7
472.14053	2.0
524.13385	2.0
534.11902	1.1
552.13055	100.0
553.13568	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	552.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47055	0.3
59.28242	0.4
61.98830	0.7
62.47844	0.4
65.00316	2.2
65.99858	0.7
78.51377	0.4
80.01498	0.4
83.65121	0.4
95.01382	1.1
96.99309	0.6
110.02468	1.2
111.00924	0.4
123.03288	2.3
134.02495	2.1
135.03250	1.7
136.00407	1.3
136.98824	2.5
138.01994	1.0
139.00386	1.0
139.42517	0.5
141.07120	1.3
145.02901	0.5
151.00404	1.1
151.02791	2.6
155.02261	0.5
164.98308	2.8
166.01375	0.9
166.99883	0.7
167.05038	0.5
169.06601	2.2
171.04523	1.4
173.06145	0.6
174.72713	0.4
181.06627	0.6
185.06056	0.6
192.02982	0.8
195.04536	1.0
197.06168	2.1
203.53720	0.4
213.05621	0.9
223.04013	3.2
224.04791	0.6
225.05649	1.0
226.08664	0.6
227.03503	0.8
228.06653	0.8
241.05037	2.8
242.08231	18.6
243.06558	1.0
243.08646	0.7
251.03491	1.6
252.06746	0.9
253.05026	2.0
269.04568	100.0
270.04913	5.5
270.07693	49.7
271.06091	2.0
271.08359	1.1
280.06183	1.4
281.04391	2.7
282.07700	0.7
327.02100	0.4
363.04932	0.5
552.13214	6.7
552.25751	0.9
553.13422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96930	1.1
52.93071	1.1
58.16128	1.3
60.02293	1.1
61.84018	1.3
61.98839	2.4
63.40231	1.4
63.51337	1.3
65.00331	8.7
65.90102	1.2
65.99862	3.0
68.67301	1.5
69.06154	4.2
69.06577	5.0
86.57751	1.3
92.99845	1.9
94.72278	1.5
95.01385	1.7
104.30479	1.3
124.01653	1.8
131.03763	1.6
133.01733	1.8
135.00868	2.6
136.00423	2.6
136.98860	6.9
145.72491	1.4
147.03217	2.3
151.00377	1.8
157.06601	1.5
158.02516	2.1
159.03221	1.8
163.99887	2.0
164.98306	8.4
167.05118	1.6
169.06561	2.3
171.03259	4.5
171.04538	5.6
173.06075	2.1
175.02716	2.1
176.03703	1.2
185.06108	1.7
186.01910	1.9
187.02740	6.9
189.00697	1.4
197.06317	1.7
199.02716	11.9
200.03493	2.6
201.39159	1.4
202.01492	3.7
203.02200	1.7
207.06949	2.3
208.07817	1.7
209.06134	2.5
213.05676	2.1
215.02229	11.1
220.07651	1.8
225.05376	1.6
227.02235	12.7
232.07730	2.6
236.07300	1.6
241.05055	2.4
242.08270	3.7
243.01778	13.5
243.06650	4.6
244.02467	2.9
252.04196	3.1
252.06587	2.5
253.05273	6.7
254.00948	1.9
254.05838	1.7
254.08226	6.3
255.06667	3.8
258.00497	8.6
260.07208	2.8
266.08194	4.8
268.06198	2.9
269.04581	40.8
269.07431	2.2
270.00455	3.0
270.04764	3.9
270.07755	12.1
271.01236	2.3
271.06131	23.1
276.06564	3.0
278.08362	2.7
279.02917	1.8
280.06079	3.3
281.04507	6.4
284.07083	1.8
288.06741	2.1
292.09683	2.2
294.07706	4.0
300.06842	1.9
306.07800	1.7
308.22241	1.3
322.07135	3.0
328.06378	1.5
331.08615	2.0
332.09363	1.7
335.05203	1.5
336.08801	4.5
346.07309	1.9
358.07153	2.0
360.08505	2.4
374.06525	10.3
375.07474	32.8
376.07828	1.9
390.03650	6.5
391.04230	12.7
403.06985	46.6
404.07471	8.5
404.12811	2.4
405.06155	1.9
406.06284	2.9
421.07941	2.4
446.09589	1.5
466.12894	2.5
480.10526	2.3
508.14090	100.0
509.14749	7.0
520.10223	2.1
534.12927	1.8
537.07959	4.3
552.11353	27.8
553.12341	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	552.2249
Annotation	[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5-(Acetyloxy)-6-(benzoyloxy)octahydro-4,9-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid
Peak:m/z	Relative Intensity
50.60656	0.8
53.75191	0.8
58.12607	0.9
59.01376	1.5
61.98826	1.6
63.19270	0.8
63.71099	0.8
65.00324	4.6
93.03480	8.2
102.20470	0.7
117.03447	1.4
119.05048	28.1
135.04559	1.0
143.05035	1.9
145.02937	3.2
187.04085	1.8
190.12389	1.7
204.13954	10.3
208.13496	2.7
228.13939	7.3
246.15028	3.9
252.14090	1.1
266.73846	0.8
270.14999	3.3
272.12970	1.5
290.13953	2.6
296.12967	2.2
314.14035	6.7
332.15063	2.4
340.12067	5.0
358.12976	2.0
366.13501	1.8
384.14542	1.9
388.17651	1.4
414.15631	4.8
432.16745	11.5
446.18604	1.1
458.18341	2.0
460.18008	1.7
478.18704	1.3
552.22467	100.0
553.22778	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	552.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30871	23.4
61.98833	25.6
63.45152	23.2
71.38538	28.4
71.43765	31.7
78.95920	100.0
92.31288	24.5
97.39316	24.4
141.55605	25.1
173.02187	23.5
190.18263	27.6
201.45653	32.6
242.21069	26.2
285.77283	33.0
325.18430	34.3
326.18973	27.6
361.50708	24.6
414.45215	27.2
516.16064	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.2
59.01385	21.6
61.98849	1.0
65.00333	8.2
69.14679	4.0
71.01359	1.6
71.06974	0.7
83.01390	2.2
88.54280	0.9
95.27673	1.0
96.61253	0.8
96.96018	0.8
97.11297	0.8
107.01395	7.4
125.02454	12.0
136.98814	0.9
145.02956	1.7
151.00389	18.9
152.00957	0.8
165.38084	0.8
171.03178	0.8
171.04526	4.1
183.04520	3.2
191.03470	1.0
197.02484	1.2
199.03978	1.2
209.02325	0.7
211.04147	1.4
225.02013	1.5
226.02654	0.9
227.03500	2.9
238.02982	0.7
239.03622	1.3
241.05072	1.8
244.63835	0.7
245.00911	2.8
253.01422	3.4
254.02168	0.8
255.03012	30.2
255.25879	0.8
269.04614	3.5
273.18542	1.1
274.18842	3.7
275.19119	1.1
281.00903	6.5
282.01740	1.1
283.02469	1.9
285.18692	1.4
286.18942	1.9
289.04993	1.0
291.06656	0.9
297.03830	0.9
303.06921	3.1
317.04425	1.5
317.17462	1.5
318.18005	2.4
319.18378	1.2
321.04031	1.9
323.01901	1.1
329.17365	1.5
330.17938	2.3
331.18375	1.5
339.04865	0.9
345.16660	1.0
346.17416	1.8
347.18643	49.4
348.18985	100.0
349.19278	30.5
363.04980	2.6
383.05469	0.9
389.02954	2.7
401.06656	2.0
407.04077	20.0
427.04648	2.1
492.23764	1.0
552.25409	32.4
553.07813	83.7
553.25610	22.0
554.08173	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	553.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87002	0.9
59.01389	1.4
61.98822	1.0
61.99379	0.7
65.00321	4.0
68.99822	1.3
69.19628	4.4
71.21021	0.7
73.08967	0.7
83.01388	1.5
95.01411	2.8
95.28990	0.8
99.00861	1.0
111.00888	9.0
119.01353	1.4
119.05034	1.2
122.29984	0.8
123.00873	3.0
125.02448	4.1
128.36130	0.9
136.98799	2.9
139.00380	10.3
141.01936	1.7
143.04947	0.8
145.02956	0.8
147.00928	1.2
147.04504	1.1
147.70515	0.9
148.45332	0.8
149.02458	2.0
151.00423	1.1
157.03026	4.5
161.02345	1.3
163.00407	1.5
164.98325	4.0
166.99905	1.9
167.03471	1.0
171.04544	2.5
173.02499	1.6
175.71371	0.9
183.04556	0.9
185.02438	4.1
190.99881	1.4
193.01384	2.5
197.02504	0.8
201.01988	2.7
211.03975	1.1
225.01973	2.7
229.01366	1.1
235.04008	1.1
239.03613	1.1
241.01431	2.2
241.05183	3.8
253.01363	2.5
254.99373	1.1
255.02927	1.1
266.02078	1.7
267.02740	1.4
268.06131	0.9
269.00909	3.5
269.04489	5.7
270.01697	2.4
270.07706	1.2
271.05988	1.0
279.02942	1.0
281.00885	3.6
281.04181	1.6
282.01700	1.7
287.03751	0.9
294.01688	1.9
297.00439	1.9
307.02631	1.0
309.00235	0.9
357.07785	1.1
359.05597	3.0
367.05954	0.9
381.02094	0.9
383.05826	1.7
385.07098	4.5
387.09009	2.5
401.06625	5.1
411.04987	1.0
413.06546	2.1
421.02448	1.8
427.04535	2.8
429.06122	0.9
449.01437	1.5
507.07275	2.6
535.06781	4.7
553.07806	100.0
554.07990	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	553.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.7
65.00327	10.5
65.97058	0.5
66.41171	0.5
67.01871	0.5
67.45741	0.5
68.26633	0.5
71.01423	0.5
71.11086	0.5
73.02937	1.7
81.68291	0.5
83.01413	1.3
95.01381	1.5
97.41846	0.6
101.02440	2.1
101.04006	0.6
103.01902	0.5
109.02977	0.6
111.00883	1.9
112.98832	1.6
119.05028	1.3
129.01958	1.6
131.05075	0.6
136.98828	4.4
139.00378	5.6
139.05553	0.7
141.07080	1.2
143.05038	21.3
144.96907	0.5
145.02963	7.4
151.05403	0.7
157.80235	0.5
159.00885	0.8
163.00262	0.5
164.98293	1.4
167.05013	1.5
169.06598	4.7
171.04544	2.2
173.06001	0.7
181.06589	0.6
183.04582	0.7
185.06097	23.4
187.00430	0.9
194.09761	0.6
195.04523	2.2
197.06100	3.1
199.04071	0.7
207.04538	0.7
211.04021	2.1
213.05559	1.7
218.99307	0.8
219.04500	1.0
223.03989	3.7
225.05624	0.6
229.05054	9.1
233.06071	0.7
239.03508	4.9
241.05124	4.2
245.00928	1.2
251.03493	2.8
255.02985	14.5
255.05653	0.8
256.97177	0.6
267.03021	3.9
267.05820	0.5
268.03622	1.7
269.04559	100.0
270.04858	3.8
270.07602	1.1
277.05112	2.2
279.30383	0.5
283.02600	0.7
283.06152	1.1
284.96857	2.1
289.05087	1.0
291.06589	1.8
293.04565	1.7
305.04617	2.5
317.04691	1.2
317.30020	0.6
319.06143	1.7
321.03995	4.2
323.01935	1.9
333.03934	1.3
334.04263	0.6
335.05872	1.0
345.03922	0.9
357.13315	0.7
359.05804	0.7
361.03571	2.0
363.05066	1.0
373.11066	0.8
388.01956	1.1
389.02997	15.2
389.44034	0.6
390.03503	1.3
390.20374	0.6
391.12222	2.1
407.04065	2.3
421.07187	3.0
421.39304	0.6
427.64236	0.6
437.10352	0.6
447.09262	3.8
465.09375	0.9
467.07904	0.8
481.09286	0.7
507.07184	0.9
535.06854	1.5
553.07513	1.7
553.14270	1.6
553.26410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34094	3.4
53.21563	3.3
53.75788	3.9
59.01390	18.9
59.79136	3.3
60.99300	15.4
61.98825	5.8
67.45451	3.9
71.01412	3.7
84.74357	3.8
85.02914	4.0
85.11617	3.4
88.98285	6.1
88.98816	92.0
89.02468	5.9
101.02468	6.5
113.02438	6.3
125.02421	4.4
133.55298	3.7
134.03760	4.9
135.04539	8.7
136.98785	4.1
137.02414	6.5
154.32771	3.7
168.85138	3.4
191.06770	4.4
300.02780	52.3
301.03516	51.3
359.15088	8.8
360.15253	17.5
361.15588	9.0
390.92801	5.5
433.12210	4.5
463.08920	100.0
464.08994	4.6
553.26544	7.4
559.45953	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04039	5.5
59.01374	30.8
60.99308	16.4
69.83046	13.0
69.83415	13.6
71.01396	14.6
76.68976	7.1
85.02969	8.5
88.98808	84.8
89.02448	13.8
95.36056	6.6
101.02439	10.8
113.02461	12.2
152.13972	7.5
167.03380	7.4
190.06357	7.7
269.94748	8.0
300.02829	60.6
301.03543	54.6
343.40424	6.6
360.15463	21.2
361.15781	10.5
463.08951	100.0
470.72968	7.3
475.18130	10.6
501.61108	7.1
517.19318	11.1
553.14709	9.8
553.27557	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	553.1146
Annotation	2,3-Dihydroochnaflavone 7-O-methyl ether
Peak:m/z	Relative Intensity
57.23108	0.8
58.72298	0.6
59.01373	0.7
60.37825	0.6
65.00330	27.0
65.34785	0.6
65.99848	2.0
67.01876	0.7
68.99821	2.2
71.01363	0.6
71.40366	0.7
82.02993	0.9
83.01389	0.9
92.99830	5.0
93.03479	0.9
95.01399	1.9
96.00869	0.9
96.99320	8.0
108.02218	1.0
108.99304	1.2
109.02957	2.4
110.02496	0.8
111.00895	5.8
112.00397	1.1
119.05035	2.8
120.99312	4.2
121.01714	0.7
124.00394	0.8
124.01693	4.4
124.02504	0.7
125.02448	1.0
130.33984	0.7
134.02539	1.0
135.00885	1.6
136.00420	1.8
136.01630	1.5
136.98816	23.3
137.02393	1.0
138.01929	1.0
139.00383	6.5
143.05060	1.7
145.02960	2.1
145.06590	0.9
147.04500	0.9
149.99576	1.1
151.00415	1.4
152.00029	1.2
152.01157	4.2
152.03500	0.7
157.06618	1.1
161.02464	0.8
163.00372	1.5
163.99945	0.9
164.98308	43.9
165.98755	1.1
166.99895	2.1
169.06683	1.2
171.04518	5.3
171.08195	1.3
173.06108	2.8
175.99893	1.3
177.99146	1.6
181.06631	1.0
185.06099	1.6
187.00366	1.0
190.99860	1.1
195.04497	0.8
195.89787	0.7
197.06073	3.0
199.04033	4.7
199.07568	0.7
201.05740	0.8
203.16795	0.7
203.99486	0.7
209.06070	1.3
211.04041	0.8
213.05576	2.4
213.48946	0.6
215.03667	0.7
218.00987	0.8
225.05635	4.4
227.03500	2.1
227.07095	1.8
229.05099	1.5
239.03564	1.6
241.05090	7.5
242.08275	2.5
243.06628	18.1
253.05089	6.4
255.06659	1.4
261.05490	1.2
263.07129	0.7
265.04947	1.1
267.02982	1.4
268.03705	1.0
268.06189	3.1
269.04565	100.0
270.04871	6.4
270.07806	6.0
271.06116	49.7
272.06528	2.5
280.06131	3.4
281.04495	3.4
282.07642	0.8
283.02484	1.3
283.06012	1.2
291.06720	1.6
293.04587	1.6
294.07828	0.9
295.06064	0.8
296.05667	2.5
296.08661	0.8
308.05704	2.5
315.19800	0.7
319.06155	1.3
321.03961	1.1
363.05026	1.5
380.07718	1.1
381.02487	1.4
389.02911	1.5
390.06308	1.5
398.14233	1.2
407.03760	1.1
407.08865	1.1
408.07285	3.1
536.09772	0.7
553.07806	0.8
553.17383	4.5
554.11096	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	553.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	2.1
65.99846	0.7
68.99817	0.6
69.61823	1.6
93.04190	0.4
95.01414	1.2
98.22639	0.4
111.00874	2.7
123.00883	1.6
124.01669	4.7
124.98949	0.4
136.01668	1.4
136.98830	3.6
139.00377	5.4
140.75160	0.4
141.07135	1.2
143.05017	0.6
151.00357	0.6
152.01160	4.5
153.07077	0.5
157.06680	0.9
164.98322	0.9
166.99854	2.9
167.05077	0.6
169.06593	2.7
171.04503	1.6
171.08121	0.8
173.06064	1.8
175.99974	0.8
181.06546	1.1
185.06117	1.2
195.04503	1.8
197.06067	2.7
199.04024	0.6
199.07587	1.0
201.05690	0.7
209.06137	0.8
213.05580	0.7
223.04065	2.5
225.05597	3.5
227.07121	1.1
229.04985	0.7
241.05092	2.3
242.08223	1.2
243.06627	19.0
251.03477	1.9
253.05045	3.4
255.06683	0.5
263.46826	0.4
269.04562	100.0
270.04877	4.9
270.07764	2.6
271.06128	67.0
272.06494	3.1
280.06143	1.3
281.04553	1.0
283.06204	2.3
322.07199	0.5
350.06732	1.0
378.06119	0.5
510.12054	3.1
536.13965	1.0
553.11530	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	553.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16478	0.5
59.01382	3.6
61.98828	0.9
69.03461	1.0
71.01394	2.2
71.39981	0.6
72.99323	1.4
73.02927	0.7
79.95742	1.0
83.01379	0.7
85.02966	1.5
85.86801	0.5
87.00877	0.5
89.02460	1.5
89.05935	0.5
93.03471	11.6
95.01389	1.7
96.96025	1.7
97.02936	0.9
101.02450	1.2
102.98585	0.7
107.01405	0.8
108.02190	0.7
109.02959	1.2
109.84417	0.5
111.00896	1.1
113.02468	2.0
117.97314	1.3
121.02979	1.0
123.00906	11.9
124.01680	31.6
125.02461	15.5
134.03752	0.5
135.04596	0.7
136.01750	0.9
137.02463	13.8
137.03526	0.9
139.00439	0.9
139.53516	0.6
149.02443	0.8
149.06079	0.6
149.99605	45.1
151.00298	2.4
151.04073	0.7
152.01216	1.0
153.01936	1.6
161.02481	0.7
163.04057	0.7
167.03508	2.5
168.00659	95.3
169.01466	6.6
179.03503	1.0
185.06133	0.5
193.05066	0.8
201.05595	1.3
239.05617	1.0
245.04655	0.9
283.04715	1.0
301.05692	1.9
373.12704	0.9
415.08972	1.0
433.09586	2.7
491.35452	0.5
553.12018	100.0
554.12445	6.5
565.85333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10425	0.5
59.01386	4.4
69.03451	0.6
71.01405	2.5
71.41736	0.5
71.45139	0.4
72.99317	0.8
73.02953	1.7
79.01921	0.6
79.31030	0.5
83.01406	1.2
85.02959	1.2
89.02441	1.1
93.03469	11.2
93.04028	0.7
95.01402	2.5
96.96024	0.6
97.02948	0.8
101.02468	2.1
102.98616	1.7
109.02951	0.6
113.02469	1.2
115.04583	0.5
121.03000	0.7
123.00904	11.7
124.01681	32.0
125.02468	16.3
134.03766	1.0
135.04210	0.5
137.02457	13.0
137.89108	0.5
142.62901	0.5
149.02473	1.1
149.06062	0.6
149.99603	43.9
150.03224	2.2
151.00301	1.8
151.03743	0.7
152.15450	0.5
163.03970	0.7
165.05565	2.3
167.03441	0.6
168.00661	100.0
169.01434	5.9
175.04054	0.6
179.03459	0.7
193.05064	2.7
195.06677	1.5
201.05611	1.1
239.05722	0.6
244.03755	0.8
245.04552	1.1
283.04932	2.0
284.05344	0.7
285.84344	0.6
301.05750	2.3
321.10748	0.6
371.09927	0.7
391.13431	0.6
395.82999	0.6
415.08981	1.5
433.09949	1.6
493.24677	1.1
553.12042	93.2
553.25720	2.5
554.12268	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58701	1.6
59.01381	4.0
65.00310	3.0
66.76675	1.5
68.99817	6.0
69.34726	6.7
73.02956	46.1
73.03372	2.5
77.34683	1.4
83.01395	32.1
83.01896	1.8
89.61828	1.7
94.66991	1.7
95.97784	1.5
96.99314	3.1
98.22667	3.0
98.31864	1.5
101.02454	47.8
111.00899	4.7
112.98827	22.3
119.05025	2.4
120.99306	2.0
129.01950	47.3
131.05035	2.7
135.04489	2.3
136.98811	3.6
139.00383	5.8
145.02954	2.1
145.06628	3.6
153.01978	4.3
161.02502	2.2
164.98325	3.4
171.04573	7.5
172.98792	2.6
173.00986	10.9
173.06097	3.0
175.99931	1.9
185.06184	1.9
188.98297	2.0
197.06110	3.6
199.04068	5.2
213.05470	2.4
215.07161	1.9
216.03177	1.9
225.02144	1.9
225.92284	1.6
228.97862	3.3
233.09874	2.7
239.03462	3.2
241.05037	7.9
243.06572	4.3
256.97342	5.1
259.06067	7.5
266.03000	1.9
268.06195	3.7
269.01144	2.1
269.04587	6.1
270.01727	2.6
271.06104	3.3
273.07794	10.8
284.96814	16.2
291.06598	2.6
296.05609	5.5
307.02487	1.8
328.75348	1.9
347.09195	2.5
350.01746	1.6
361.03290	2.2
389.02942	16.7
392.08002	2.1
401.06638	3.1
407.04047	2.1
420.54068	1.7
421.01965	3.0
447.09363	100.0
448.09418	3.6
462.67230	1.7
492.10550	2.8
507.07529	3.6
510.11884	7.1
535.06464	3.2
553.07422	20.0
553.14832	42.8
554.08258	1.6
554.13892	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	553.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01260	10.4
59.01382	60.0
64.53017	10.0
69.92953	10.3
71.01402	17.6
73.02966	11.8
82.95452	10.8
88.98808	18.4
95.78694	10.6
113.01147	9.2
113.02412	10.7
116.46395	10.0
137.64621	9.6
140.09987	9.5
153.02037	11.0
171.55951	10.7
231.73947	11.4
243.82445	11.6
287.05566	12.4
295.06323	19.3
307.06091	32.3
309.07700	11.1
322.08484	25.5
325.10767	68.7
337.10846	100.0
463.09113	26.0
493.23920	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	553.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18053	0.6
51.17492	0.5
51.19820	0.5
59.01082	1.0
59.01380	16.1
60.57230	0.6
65.00343	0.7
67.01895	1.6
67.12836	0.6
71.01388	7.4
73.02936	1.0
81.03474	1.5
83.01396	1.3
84.88914	0.6
85.02942	2.8
89.02442	4.2
91.01889	2.5
95.01384	1.3
99.04527	1.3
101.02465	3.0
107.01397	3.7
108.02178	6.5
109.02962	5.2
111.00897	1.4
113.02448	2.5
119.03412	0.7
119.05015	0.9
122.03760	2.8
123.00925	1.6
123.04539	14.8
125.02469	1.4
131.03534	0.9
135.11786	1.2
137.02473	0.9
150.03223	2.1
151.00386	14.1
152.01155	12.1
153.01888	0.9
161.02420	0.5
163.04005	2.6
165.01672	0.6
165.05605	0.8
166.02730	17.2
167.03510	60.8
168.03836	1.0
172.88243	0.7
179.10774	6.8
181.05087	13.8
181.06508	0.6
193.05063	0.8
194.02228	11.8
195.02943	1.8
209.04561	100.0
210.04976	2.1
221.04385	0.6
223.09767	7.5
239.05611	20.5
240.06018	1.0
246.17709	0.6
254.04279	1.0
255.05070	1.9
263.05637	0.6
269.06689	38.5
270.06952	1.5
285.18500	1.4
286.18982	1.5
287.19293	2.1
305.21176	2.0
320.30728	0.6
329.08795	7.9
329.17578	2.8
330.17752	2.1
331.18256	3.6
347.18695	1.8
348.18878	2.5
349.19403	3.6
421.20816	1.3
449.25476	4.4
458.03537	0.7
509.27646	0.7
553.26184	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.8
66.87656	0.4
71.41492	0.7
73.25681	0.4
79.53947	0.4
80.46778	0.4
93.03507	1.3
96.48476	0.4
96.96037	0.9
112.98820	0.9
118.98125	0.6
119.05021	0.8
123.00922	0.9
124.01714	1.1
125.02485	1.1
126.74412	0.5
137.02483	1.5
137.95575	0.4
144.32079	0.5
149.99602	1.4
165.01932	0.5
167.03563	1.2
168.00629	2.9
180.04280	1.0
204.04343	0.7
205.05070	3.5
229.08759	0.6
231.06715	1.2
242.08133	0.5
247.72151	0.5
248.07047	0.7
249.07625	3.3
255.10263	1.4
258.09039	1.3
263.09341	1.4
268.03857	0.7
271.09799	1.0
271.13284	0.5
272.10562	2.4
273.11337	17.9
274.11755	0.7
297.11313	0.7
299.12885	8.6
303.03415	1.9
315.12384	1.9
316.12924	2.2
317.10379	2.0
317.13892	13.5
318.13986	0.6
329.13965	2.0
331.19287	0.9
343.11929	2.8
359.11145	0.7
360.12323	0.9
361.12955	100.0
362.13223	6.3
371.11322	0.5
373.12885	1.5
391.14014	93.1
392.14307	3.7
396.12271	1.4
403.14255	0.5
415.09015	0.7
431.06458	0.4
438.13251	1.2
440.10840	0.5
467.18726	0.5
523.18665	1.8
535.18451	0.5
553.12079	3.7
553.19318	56.7
554.10938	1.8
554.19739	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	553.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61092	49.7
59.01358	100.0
61.11487	47.1
64.35120	58.5
67.34001	45.7
103.01483	67.0
119.04998	65.5
391.14972	64.4
457.80939	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2449
Annotation	Taxuspine Y
Peak:m/z	Relative Intensity
55.01042	0.6
59.01383	100.0
61.98838	5.4
70.98985	0.9
80.96534	1.0
96.34875	0.7
108.02167	0.7
121.02961	15.5
122.03342	0.6
125.09786	0.6
125.48985	0.6
143.61279	0.5
157.84035	0.5
180.49701	0.6
183.01988	0.5
201.05617	0.9
226.53242	0.5
239.10825	1.2
255.23485	0.6
311.16595	2.8
328.44418	0.6
339.10522	0.6
433.20511	0.7
471.35214	1.1
485.85599	0.6
493.22391	8.8
494.22729	0.7
553.26965	1.8
553.35156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03432	0.9
58.00594	0.8
59.01387	57.6
61.98851	0.6
64.90029	0.6
69.03413	0.6
69.23125	2.8
69.88925	0.6
71.01390	26.9
72.99294	0.8
73.02956	7.8
83.01399	2.2
85.02956	8.3
87.00880	2.6
88.98799	0.7
89.02454	23.8
93.03459	0.6
95.01376	2.2
96.95980	0.7
97.02954	1.1
99.00887	1.8
101.02456	21.8
113.02470	11.5
119.03533	8.3
119.04990	0.7
121.99674	0.6
125.02453	1.6
131.03525	4.9
143.03511	1.6
151.04060	0.6
154.23975	0.6
159.03003	0.9
161.04585	5.9
161.73418	0.5
170.12355	0.6
178.61383	0.6
179.05647	7.4
181.85988	0.7
221.06738	7.5
221.53055	0.6
371.83218	0.6
373.18661	1.5
475.76654	0.7
493.23389	1.8
535.24097	5.3
536.24225	0.6
553.25098	100.0
554.25555	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	553.2663
Annotation	Salviadienol B
Peak:m/z	Relative Intensity
51.19431	0.3
51.33779	0.3
55.01884	1.2
57.03445	1.9
58.00594	0.5
59.01384	100.0
60.01722	0.7
67.46475	0.3
68.68600	0.3
69.03467	0.4
69.51880	0.9
69.52288	0.5
71.01389	19.0
72.99313	2.0
73.02952	6.9
75.00893	1.2
81.03452	0.3
81.65324	0.3
83.01393	7.0
83.05068	0.3
85.02954	9.6
85.06600	0.5
86.00094	2.8
87.00892	2.3
89.02451	4.7
95.01387	2.1
96.39241	0.3
96.96033	0.3
97.02961	0.7
98.22581	0.5
99.00889	3.4
101.02453	18.8
108.02176	0.7
111.00893	0.5
112.01675	0.7
113.02460	9.0
116.01123	0.5
119.03529	1.4
119.05004	0.4
121.06613	0.5
121.37669	0.3
125.02437	0.8
129.01942	0.8
135.04510	0.3
140.15327	0.3
141.01952	0.9
143.03542	1.0
157.01480	0.8
159.03004	0.6
161.04594	2.1
167.03508	0.4
217.16008	0.3
241.08298	0.3
287.20056	0.5
289.21811	1.4
305.21298	4.5
307.22836	1.0
311.87225	0.3
313.18344	0.5
331.19162	0.4
349.23877	3.9
365.23233	0.5
377.23401	0.5
407.24689	0.3
409.22330	0.5
419.24347	0.6
449.25452	10.1
450.25931	0.8
457.90735	0.3
457.96744	0.4
463.23410	0.4
467.26489	6.8
475.23441	0.9
493.24524	7.0
494.25043	0.6
509.27322	0.8
511.25620	1.6
535.25415	0.6
553.26636	12.2
554.27124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2664
Annotation	Salviadienol B
Peak:m/z	Relative Intensity
51.00095	0.9
55.01881	1.6
57.03460	2.4
59.01387	100.0
60.01719	1.0
69.03457	0.9
71.01392	37.0
73.02957	39.3
74.72774	0.7
78.91890	1.6
80.99418	0.8
81.03461	1.7
83.01394	9.8
85.02967	16.2
87.00885	1.2
88.91352	0.7
89.02452	16.0
89.02956	1.3
91.45287	0.8
93.03485	1.3
95.01402	3.8
97.02951	1.0
99.00892	1.2
101.02459	28.8
109.02960	4.2
113.02463	29.5
116.92902	1.3
119.03525	5.3
119.05034	1.2
125.02455	2.2
128.03511	0.7
131.03540	2.4
137.02461	2.9
143.03506	2.9
149.04578	2.0
150.03235	0.9
155.03670	0.8
161.04608	9.7
173.07216	2.3
179.05656	0.8
185.09698	1.6
203.10788	3.5
205.12331	1.4
221.06767	1.2
228.07782	9.2
244.07416	1.2
271.08414	29.3
272.08722	1.5
280.18271	0.8
313.07291	3.5
315.15924	0.9
331.19183	3.9
343.08374	2.5
349.20160	1.3
402.45938	0.9
493.24496	36.4
494.24915	2.5
511.25455	7.3
553.12421	1.3
553.26727	12.0
554.27112	0.9
559.41199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03456	2.8
58.00602	0.6
59.01384	100.0
61.98849	0.4
69.03465	1.4
69.09343	1.0
69.09759	1.4
71.01385	27.0
72.99327	0.5
73.02955	10.8
75.00862	0.4
81.03469	0.5
82.95412	0.4
83.01395	4.8
83.05025	0.4
85.02957	15.3
87.00890	0.6
89.02448	6.7
95.01397	3.3
97.02965	1.0
98.22623	0.9
99.00896	3.0
99.44195	0.4
101.02454	18.0
110.03777	0.4
113.02458	12.8
114.02757	0.4
117.03490	1.7
119.03521	4.2
119.05008	0.5
125.02436	1.3
126.45078	0.3
129.02005	0.6
131.03497	0.7
143.03511	1.1
149.04591	0.7
153.13919	0.3
159.03009	1.5
161.04572	7.5
179.05638	0.7
203.05666	1.7
211.20013	0.3
217.15987	0.4
243.17603	0.4
259.20764	1.1
261.22232	30.2
262.22565	1.1
287.20212	3.3
289.21756	1.2
305.21240	19.0
306.21664	0.9
331.19165	6.1
333.20682	1.0
347.18582	1.6
348.19089	2.8
349.20123	21.3
350.20349	1.2
423.27496	3.4
424.13702	1.0
449.25494	9.2
450.26260	0.6
467.26538	6.0
468.26840	0.6
491.26599	0.5
509.27621	33.2
510.28012	2.6
511.25598	0.4
553.26501	34.9
554.27045	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	553.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
57.03448	2.4
59.01384	93.2
60.01721	1.0
61.98822	1.3
63.04473	0.8
69.03460	1.9
71.01392	32.9
73.02959	12.0
83.01389	5.8
85.02965	12.2
87.00883	1.4
89.02455	21.8
91.50485	0.9
95.01412	2.4
97.02926	1.7
99.00922	2.4
101.02463	17.6
108.02200	0.8
109.02980	0.9
111.00913	1.1
112.98581	0.9
113.02455	11.6
115.70964	0.8
117.03493	1.1
119.03515	1.8
119.05028	1.6
125.02453	3.6
127.80467	0.9
131.03543	4.4
137.02438	1.4
142.66782	0.8
143.03488	1.6
146.10909	0.9
149.04498	4.3
161.04576	3.2
189.12889	5.0
191.14458	1.9
205.16072	1.5
209.04633	2.0
270.05060	1.1
275.20102	6.0
277.21835	3.1
287.20126	3.4
289.21732	2.4
305.21252	100.0
306.21649	4.1
319.19244	1.5
331.19223	4.5
347.18420	1.1
349.20224	18.5
403.19714	1.7
421.21030	6.2
449.25482	45.3
450.26099	2.0
467.26538	24.9
493.24622	2.2
509.15436	1.1
509.27539	21.6
553.26135	33.2
554.26923	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17397	0.8
69.17802	1.9
71.75488	0.4
72.72575	0.4
79.95745	1.6
80.96516	1.4
83.19800	0.4
94.98109	0.4
96.96020	84.9
100.35965	0.4
103.70651	0.3
115.04015	0.8
116.04354	0.4
142.60175	0.5
149.83170	0.4
168.50461	0.4
180.60382	0.4
193.21533	0.4
232.30978	0.4
262.52948	0.4
265.14810	100.0
266.15143	2.6
453.33594	0.8
471.34937	2.7
553.28320	16.6
553.35211	1.4
554.28632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27283	0.4
60.96480	0.4
61.98833	2.6
69.17487	2.8
78.95885	0.7
79.95761	1.8
80.96532	1.5
95.95261	0.9
96.71529	0.5
96.96021	85.4
107.12695	0.5
166.85159	0.5
265.14804	100.0
266.15106	3.4
279.23376	1.9
289.95959	0.6
366.15512	0.5
504.30832	1.6
531.51282	0.5
553.28436	21.1
554.28485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30964	17.3
59.01372	59.5
61.98839	100.0
70.56054	36.9
78.95889	21.9
79.39651	18.3
122.02493	82.2
131.41377	21.7
150.62944	18.3
249.89967	26.5
277.21735	41.9
278.21838	45.2
364.58859	19.9
503.29959	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3516
Annotation	Muscanone
Peak:m/z	Relative Intensity
50.50523	1.0
59.01388	1.4
59.37741	0.8
61.98830	2.2
63.17477	1.1
71.40716	1.0
71.41308	1.1
78.28576	1.1
96.59894	1.0
96.96017	19.0
147.36566	1.0
210.40279	1.1
265.14798	23.0
265.17502	1.6
279.23282	1.5
407.33304	1.6
471.34821	100.0
472.35382	7.7
479.03287	1.0
553.35223	52.9
554.35608	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	553.3518
Annotation	Muscanone
Peak:m/z	Relative Intensity
53.41482	0.8
55.33121	0.7
59.01359	1.1
59.49512	0.7
61.98841	1.1
62.49768	0.8
69.88808	2.4
71.58683	0.9
78.99226	0.8
98.22024	1.5
105.82949	0.8
167.80151	0.8
175.76747	0.9
198.16818	0.7
317.93420	0.8
337.50638	0.9
366.99960	0.9
471.34830	100.0
472.35013	5.0
517.70557	0.8
553.35211	55.7
554.35284	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	554.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01917	8.7
65.00320	26.4
65.77782	5.6
65.99853	48.5
68.99827	7.7
69.18685	22.9
83.01414	10.2
87.96619	5.7
89.11391	6.1
95.01389	9.7
96.31410	4.7
98.21849	11.8
99.00916	10.3
107.01399	6.0
108.00977	6.8
110.02503	13.3
111.00898	32.0
117.03462	7.5
119.05047	26.4
120.00896	7.3
122.02483	6.7
123.00923	5.7
124.00432	19.3
124.04042	7.6
135.00882	6.7
136.00385	28.3
136.98817	9.7
138.02010	8.2
139.00397	38.5
143.05045	13.3
145.02971	9.6
145.06593	6.5
146.02577	5.7
147.04636	8.9
150.01944	8.4
151.99930	8.0
155.05034	19.4
157.06531	6.1
158.02534	6.6
159.04547	12.7
162.02017	11.8
163.99924	18.2
169.06615	13.6
171.04544	46.0
173.06030	9.2
174.01976	7.0
175.47285	6.1
175.99869	41.9
183.04559	18.4
185.06157	10.7
187.03954	5.9
189.00644	9.1
192.03029	8.4
197.06242	8.7
199.04012	15.3
202.01527	13.8
203.99361	15.4
204.49277	6.0
211.04048	32.7
213.05652	10.0
215.03534	32.4
216.03058	13.6
217.05098	6.3
218.00986	11.1
226.05125	11.3
228.02783	5.8
229.05217	9.1
232.02411	6.2
239.03444	19.4
240.06659	12.8
241.05087	12.8
242.08182	26.2
243.06628	6.7
245.04607	15.1
252.06747	10.6
253.04982	7.4
254.04410	7.8
255.02934	13.4
255.06627	48.4
257.04572	12.5
266.04553	6.3
268.06152	80.7
269.04333	9.5
270.04941	10.4
270.07758	47.7
271.06174	25.2
280.06168	75.3
283.02527	82.2
283.05695	9.7
284.03232	12.7
285.04147	12.2
285.99939	8.6
292.06482	6.7
294.07761	18.2
296.05777	29.3
298.03610	95.5
299.04211	6.1
300.04935	8.2
306.07614	18.6
308.05731	89.4
310.07187	6.2
318.07983	8.6
320.05585	6.4
320.09314	18.1
322.07205	15.1
336.08835	9.7
348.08682	19.0
350.06677	12.3
352.08350	7.7
362.06781	11.7
364.08270	40.4
378.06177	13.1
380.07819	7.7
390.06311	37.6
392.07809	37.6
393.07306	5.9
399.14474	10.0
408.07309	100.0
466.12970	15.1
482.12247	13.9
492.10910	9.8
510.11664	28.0
526.11481	8.1
536.10162	35.0
537.10358	6.9
554.10846	87.7
555.11938	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	554.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
64.39413	1.9
65.99853	2.7
67.01896	3.5
68.99822	3.5
70.46566	1.9
71.01425	2.0
74.26667	1.9
80.96552	2.4
83.01410	4.5
84.99335	7.4
93.03439	3.7
96.96003	4.3
111.00898	25.6
112.98820	100.0
119.05043	23.5
129.98331	2.0
143.05003	3.5
154.99883	5.0
163.90540	2.7
169.06673	3.1
171.04520	15.6
196.07727	7.2
198.05664	5.3
200.07196	10.7
208.07748	3.3
220.07767	5.6
222.05557	5.0
224.07181	11.5
234.05573	2.5
236.07240	13.6
242.08426	4.3
244.06087	2.5
247.06429	2.5
248.07169	13.2
252.06830	3.0
254.98297	3.2
262.08624	4.4
264.06741	15.8
265.07440	4.0
266.08258	9.5
268.06119	23.3
270.72037	2.5
273.11224	4.3
274.11646	4.1
276.06598	3.2
278.08173	10.4
290.08301	4.0
292.06219	17.4
294.07715	3.6
300.13535	3.0
303.08917	3.1
304.06369	3.7
306.07578	6.2
310.07275	6.8
312.05072	9.8
317.13843	2.9
318.07657	5.5
318.14340	5.4
320.05673	11.4
334.07318	11.2
338.06631	2.5
352.13516	4.2
354.11142	13.0
361.12900	16.9
362.13254	39.7
368.12888	8.6
378.11206	4.6
390.06122	8.3
391.14096	16.9
392.14328	32.4
396.12427	90.0
397.12723	5.0
398.10339	8.4
434.05386	3.9
438.13504	80.1
439.13538	6.6
440.11389	32.6
442.13113	4.0
466.12973	20.4
482.12524	36.1
492.11423	3.1
510.12018	34.3
511.12424	2.9
524.17480	2.7
553.19727	3.2
554.10950	95.6
554.19696	34.5
555.11462	7.3
577.07404	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	24.9
65.99856	51.9
68.81217	4.9
68.99818	9.9
69.34885	30.2
75.26725	4.7
83.01384	7.3
93.03473	6.2
96.00906	5.8
99.00911	13.0
108.00946	7.8
110.02521	10.1
111.00890	39.9
112.67014	5.3
117.03481	11.3
119.05028	31.1
120.00849	6.1
122.02493	5.4
124.00459	15.9
131.05054	9.0
133.03026	7.6
135.00914	6.9
135.04518	7.5
136.00415	22.4
136.98788	12.0
139.00377	36.3
143.05045	17.3
144.04608	5.3
145.03000	14.4
145.06609	7.6
146.02531	8.5
147.04541	6.7
148.04027	6.7
150.01941	8.3
151.00362	8.5
155.05031	20.0
157.06563	9.6
159.04646	7.0
161.02448	9.1
162.01987	7.8
163.99922	15.2
166.01465	10.8
169.06555	7.4
171.04495	30.4
173.02502	8.0
173.06113	9.7
174.01944	6.2
175.99915	37.9
176.01186	6.4
176.03436	6.3
181.54907	6.4
183.04523	14.7
187.04036	9.2
192.03008	10.0
197.06122	9.3
202.01572	7.3
202.99965	5.9
203.99396	17.5
207.97752	6.2
208.07817	7.0
211.04063	32.6
213.05557	17.6
215.03651	29.6
217.05051	13.4
218.00847	11.3
224.07343	6.9
226.05127	7.7
227.03613	8.3
229.05061	15.6
236.07329	7.1
238.05141	8.1
239.03525	26.4
240.06526	9.5
241.05078	19.4
242.08362	26.4
243.06766	14.5
245.04613	19.4
252.06662	9.0
253.05150	8.9
255.03128	14.2
255.06660	48.8
257.04605	10.0
266.08392	7.0
268.06174	90.7
269.04498	16.6
270.04620	18.4
270.07730	47.9
271.06061	50.0
278.08084	10.5
280.06226	82.3
283.02496	86.8
283.06046	22.5
284.03162	9.3
285.04092	13.7
285.99942	8.8
292.06235	6.1
294.07742	22.5
296.05713	25.3
296.09085	7.0
298.03568	83.4
306.07779	24.9
308.05685	89.5
320.09311	14.0
322.07214	15.9
338.06775	15.2
346.06903	7.5
348.08807	21.4
350.06744	14.5
352.08240	7.4
362.06775	8.8
364.08356	45.0
377.05460	12.5
378.06238	12.7
388.04895	6.3
390.06274	35.9
392.07877	24.7
398.14075	9.9
399.14331	19.1
408.07196	78.5
482.12622	12.5
510.11658	31.4
513.05438	6.1
526.11517	10.9
536.09705	31.2
537.12488	13.6
554.10571	100.0
555.11267	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	554.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88937	0.5
55.96216	0.4
61.98834	100.0
65.26188	0.4
69.78561	1.9
80.55891	0.4
95.75188	0.5
96.90205	0.4
112.80844	0.5
134.58797	0.5
147.80864	0.4
198.55493	0.4
245.74409	0.5
308.82840	0.5
351.11899	0.6
521.27252	0.6
525.15063	0.7
555.67780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80093	0.2
61.98834	100.0
69.30240	1.3
69.66270	0.2
80.02216	0.2
93.43346	0.3
98.21855	0.6
105.08102	0.3
151.35966	0.2
167.03534	0.6
194.08215	0.2
216.93790	0.3
330.46295	0.3
491.14291	0.4
510.11548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37795	0.6
56.37855	0.5
65.00327	3.2
65.99847	2.2
69.10005	1.3
69.10416	3.3
79.01898	1.4
83.01353	0.9
85.86062	0.7
91.22778	0.6
93.78953	0.6
95.01395	2.3
108.02154	1.1
110.02457	3.7
111.00902	5.1
119.05170	0.7
120.00872	0.7
122.02457	0.8
123.00903	1.5
123.03284	3.6
124.01673	5.4
133.02956	0.7
134.02505	3.2
135.03265	3.8
135.04405	1.3
136.00406	3.2
136.01657	2.0
136.98840	3.7
138.01985	4.0
139.00397	5.7
151.00401	1.0
151.02739	3.8
152.01137	5.6
152.18411	0.6
157.06654	0.7
161.02405	1.5
163.99898	1.1
164.98235	1.5
166.01527	1.3
166.99864	3.9
169.06564	1.0
171.04507	1.7
173.06079	2.2
175.99881	1.7
178.99886	1.0
181.06670	1.0
185.06087	1.8
192.03026	2.8
193.01440	0.8
197.06065	2.4
199.03909	0.8
199.07727	1.4
201.01854	1.0
201.05519	1.0
203.99269	0.8
209.06073	1.4
213.05635	0.8
225.05585	3.5
226.08807	1.1
227.07089	2.8
228.06499	1.2
229.05074	0.8
239.07042	0.9
241.05057	2.1
242.08257	29.3
243.06598	23.5
244.06915	0.9
252.06548	1.0
253.05086	5.8
255.06607	2.8
266.04471	0.9
268.06085	4.4
269.04572	1.7
270.07724	76.2
271.06107	100.0
272.06543	4.6
280.06213	4.5
283.06122	4.8
296.05737	1.1
298.03555	1.9
300.05240	2.3
306.07626	1.2
308.05695	2.1
348.08670	2.1
364.08307	1.8
377.05286	0.8
392.07996	4.4
408.07309	2.9
447.11118	0.9
448.11108	1.9
510.11996	1.6
536.10126	1.0
554.14783	14.9
555.14435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15244	1.1
54.30994	1.1
64.01921	1.3
65.00324	4.7
65.99841	6.2
69.04457	1.2
69.82227	3.8
71.96319	1.1
83.05037	13.4
91.25227	1.1
98.22658	1.5
107.00178	1.6
111.00927	1.2
117.03452	1.2
120.00928	2.2
121.01685	1.9
133.01720	1.5
134.02473	1.9
135.03250	2.2
136.00435	3.8
138.01962	1.7
141.07135	1.8
142.08948	1.2
143.05052	1.9
146.02464	2.8
147.03270	1.6
148.04048	4.0
151.02724	2.2
156.08191	3.2
163.99924	2.7
164.03596	1.6
165.00687	6.1
169.06604	2.5
171.04510	5.8
173.06096	2.7
174.01926	1.6
175.99902	3.8
180.08244	4.5
182.09749	1.4
184.07719	2.3
190.01448	4.0
192.03073	1.6
197.06062	1.7
203.02245	2.5
203.99474	1.4
216.02998	2.9
218.01004	1.4
222.09328	1.5
224.07161	2.3
225.05583	1.3
226.08815	9.3
239.07295	1.4
241.05083	1.8
242.08240	12.3
246.00436	1.2
248.07178	1.7
250.08754	4.0
252.06711	4.2
254.05548	1.3
255.06653	4.4
258.00378	1.9
268.03629	2.7
268.06168	6.9
268.08795	1.1
269.04355	3.5
269.06964	3.6
270.04892	3.4
270.07706	28.9
270.12482	1.7
271.06055	3.3
271.33939	1.6
278.04773	1.9
278.08179	1.9
280.06116	11.6
281.06216	1.4
283.06189	2.5
285.04156	2.4
292.06107	2.1
294.07809	12.7
296.09201	2.3
298.03671	1.9
307.08551	1.9
308.05637	1.7
320.05795	1.6
322.07248	5.3
328.13342	1.5
340.05194	2.0
340.09360	1.3
348.08661	1.7
350.06845	6.4
354.15222	1.9
377.05490	1.8
377.29367	1.5
378.06152	2.9
380.12897	2.0
382.10748	7.2
398.13998	100.0
399.14346	6.0
408.07132	1.5
422.13727	2.4
466.16794	53.5
467.16940	2.8
510.11871	36.1
511.12131	2.7
536.13129	6.8
554.14813	24.6
555.15021	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	554.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01911	1.6
65.00323	7.3
65.70103	1.6
65.91672	1.6
65.99843	12.3
68.99843	1.6
69.14422	10.7
83.01408	1.7
87.69764	1.5
93.03503	2.1
95.01386	3.4
95.11878	1.6
103.00672	2.1
106.02979	1.7
108.00915	1.8
111.00883	16.9
117.03474	4.5
118.94847	1.7
120.00951	2.2
123.00871	2.5
123.03271	3.1
124.01659	5.3
131.05063	3.4
134.02528	2.4
135.03284	1.8
136.00456	8.6
136.01373	1.7
136.98801	6.8
138.01944	2.4
139.00362	4.4
140.00742	2.7
141.07056	2.5
141.65315	1.7
143.05067	3.0
146.01253	1.5
146.02435	2.4
147.08183	3.0
148.00320	1.7
151.00270	2.3
152.01100	3.7
157.06636	1.9
162.01945	2.8
163.99901	4.6
166.99870	3.6
169.06590	5.4
171.04530	4.6
173.06029	3.1
174.01990	4.6
175.99904	12.6
185.06094	3.1
186.02007	2.3
189.05727	2.2
190.01431	5.5
192.03096	2.1
195.04433	2.7
197.06039	5.0
203.07120	2.2
208.07472	1.7
213.05585	3.0
218.00949	3.5
224.07263	2.0
225.05624	3.1
226.05812	2.3
227.07144	2.1
239.03418	2.6
241.05101	5.2
242.05673	3.6
242.08180	23.6
243.06586	13.6
243.08711	2.2
244.06996	9.6
246.00414	4.1
252.06673	4.9
253.05029	3.0
254.05347	1.7
255.06590	6.4
258.00403	4.4
268.06201	16.9
269.04535	59.7
270.04855	57.0
270.07727	73.9
271.06088	52.4
272.06482	36.9
277.07251	1.6
278.08206	3.8
280.06189	29.2
283.06070	4.0
294.07733	6.2
296.05618	5.6
296.09201	5.1
308.05609	3.4
320.05643	5.2
322.07254	17.3
335.08078	4.8
336.08676	3.0
348.04959	1.9
349.05829	2.3
350.06732	18.5
352.08102	2.3
362.06656	3.3
377.05316	3.7
378.06186	7.2
466.12860	3.7
482.12335	2.2
492.10834	3.6
510.11948	100.0
511.12064	7.0
518.12048	2.6
536.13782	15.0
554.12396	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	554.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98835	11.6
65.26716	6.9
70.86515	11.1
104.22323	5.3
122.02503	53.6
142.15532	6.4
202.05200	6.5
225.12677	6.2
245.73479	6.2
287.38550	5.8
402.11868	6.9
494.22116	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	554.2402
Annotation	Nicotaxine
Peak:m/z	Relative Intensity
59.01386	100.0
59.88871	1.1
61.98826	2.3
69.34702	6.0
77.26622	1.5
88.71507	1.2
98.21901	2.5
108.73770	1.2
113.18126	1.2
116.90429	1.3
122.02497	43.0
159.41194	1.2
202.05150	4.5
219.82333	1.3
311.16449	3.5
470.43118	1.2
492.36133	1.4
494.21863	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	554.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70763	0.6
59.01385	100.0
60.01715	1.3
61.41002	0.6
61.98840	0.9
62.43588	0.5
70.98094	0.9
71.01389	1.1
74.00725	0.6
74.99096	2.8
82.70103	0.5
83.01410	1.0
85.02969	0.8
86.02487	11.3
87.07477	0.6
108.36112	0.7
113.02562	0.7
119.05065	1.6
120.01324	1.3
136.17477	0.7
145.03009	0.8
155.73018	0.7
162.90471	0.5
272.29462	0.6
273.52542	0.6
347.16949	1.1
365.17776	0.6
385.07202	1.0
385.98505	0.6
407.18918	9.5
425.20456	0.7
494.22202	5.2
510.22919	0.8
554.24500	7.8
555.27350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27444	1.0
59.01380	1.1
61.98819	1.9
70.30919	2.6
78.95896	6.3
89.04557	1.1
95.71694	1.3
96.96011	1.9
98.22527	1.2
119.11794	1.3
121.61468	1.1
152.99522	1.6
161.72389	1.0
161.78871	1.0
168.04292	1.7
190.19159	1.4
224.06836	1.3
242.08002	2.4
279.23309	100.0
280.23618	3.3
504.30991	28.2
505.31049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
61.98837	1.1
65.76352	1.1
72.00193	1.1
75.70747	1.0
78.95907	23.9
96.96027	5.5
116.45013	1.3
140.72609	1.0
152.99620	3.7
168.04353	2.0
201.78311	1.0
224.06895	7.3
232.49663	1.1
242.07938	1.9
265.14838	2.7
266.15091	2.5
279.23318	100.0
280.23685	4.8
504.30988	68.4
505.31448	4.2
554.35657	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	554.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60569	0.4
58.93491	0.4
59.01384	19.8
61.98818	0.5
69.20245	2.5
74.63597	0.4
78.95911	19.8
82.50500	0.5
152.99596	3.4
158.60257	0.4
168.04372	2.1
189.21457	0.5
224.06969	7.7
242.07976	1.5
255.23311	100.0
256.23688	2.4
306.14005	0.6
315.29535	0.4
357.14648	0.5
480.31009	57.5
481.31396	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31653	0.4
57.03445	1.1
59.01382	4.2
65.00330	2.8
68.99825	0.5
69.37254	1.2
69.37637	1.1
73.02935	0.6
75.00864	1.5
79.95735	1.6
82.00614	1.0
82.62744	0.5
83.01447	0.7
85.02954	8.5
87.00902	1.2
87.68393	0.5
89.02446	0.6
95.01388	1.8
96.96025	0.9
99.00874	2.4
103.00385	1.5
110.00104	16.3
113.02460	11.5
115.00352	0.9
117.02004	0.6
119.08029	0.5
136.98843	2.5
137.99600	7.6
138.42157	0.5
140.05942	0.5
144.26765	0.5
164.01186	1.1
165.99078	14.2
166.99443	0.6
175.02489	5.3
187.04001	0.9
188.04626	0.5
199.04074	0.6
200.04803	1.2
200.58429	0.5
212.04832	3.4
214.02696	2.5
227.03595	1.0
228.04306	0.6
238.27446	0.5
240.04279	0.6
241.05054	2.0
256.03784	0.6
284.03284	100.0
285.03647	5.1
299.05618	96.7
300.05899	3.2
330.13290	0.6
342.42496	0.5
379.01306	60.4
380.01639	2.6
383.89563	0.5
398.96841	0.5
400.14304	0.5
475.08682	2.5
476.09561	0.6
555.04663	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	555.0453
Annotation	Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucuronide)
Peak:m/z	Relative Intensity
50.43893	1.2
50.44130	1.2
54.70431	1.3
57.03439	1.5
59.01387	16.8
62.98081	1.3
65.00346	1.4
71.01376	10.8
72.99319	3.0
73.02953	2.4
74.01229	1.6
75.00895	2.9
78.81879	1.3
79.98814	1.3
80.48003	1.3
83.01410	2.7
85.02960	11.6
87.00890	3.0
88.98834	2.9
89.02441	3.1
93.03471	1.6
95.01389	3.3
96.96021	3.0
97.02975	1.6
98.21783	2.0
99.00912	4.1
101.02439	2.5
101.16560	1.4
108.02189	12.6
109.02955	5.2
110.00101	11.0
110.14032	1.2
110.58215	1.4
111.00909	3.1
112.46975	1.3
113.02448	21.1
115.00488	1.5
129.01913	1.9
136.98883	1.5
137.99625	5.8
139.00493	3.2
141.01971	2.8
147.86154	1.3
148.14136	1.4
149.99500	1.6
152.01158	30.6
153.01964	3.9
155.07193	1.9
161.02499	2.3
165.99110	13.3
167.03571	4.9
175.02452	4.7
175.07451	1.5
200.04869	2.7
212.04822	3.0
214.02760	3.4
283.02707	1.7
284.03271	97.8
285.03790	6.3
299.05630	100.0
300.05972	3.4
331.15762	1.8
378.96518	2.7
379.01318	45.5
379.09052	2.5
380.01987	1.7
393.15732	6.8
399.09390	3.5
417.10440	11.7
475.08890	28.8
476.09265	2.5
477.21289	2.3
491.22952	2.9
537.15936	1.6
555.04376	5.2
555.15918	10.3
555.22772	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	555.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92104	1.0
59.00945	1.3
66.43161	1.2
72.97938	1.2
98.22617	3.4
117.03460	2.0
136.98804	3.9
164.98318	6.1
164.99513	1.1
165.53899	1.2
174.39830	1.3
180.00578	1.5
183.04491	2.3
185.02446	2.3
203.12695	1.3
211.03999	1.5
226.02769	2.0
239.03629	1.3
254.01930	1.6
255.03000	12.3
269.04639	2.6
283.02496	72.5
284.02737	1.3
297.04138	5.8
298.04819	100.0
299.05157	3.2
313.03619	2.5
313.07193	48.3
348.64221	1.2
355.08261	1.4
393.02762	2.2
442.88907	1.3
449.56659	1.2
461.32590	1.1
475.12463	71.2
476.12650	4.4
555.08112	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	11.9
69.34797	14.0
73.02966	4.6
83.01392	3.1
85.92764	2.0
93.03471	2.4
95.01394	4.7
96.96043	6.2
108.02180	6.0
111.00911	5.0
112.98846	3.2
117.03480	3.2
119.01414	10.4
119.05060	3.7
120.99280	2.5
123.00885	3.4
128.74414	2.3
129.01941	2.6
131.01422	5.3
134.00150	2.9
135.00897	6.1
136.98843	3.4
139.00323	2.8
140.42732	2.1
143.01337	3.3
143.05055	5.8
145.02940	5.4
145.74660	2.4
146.64180	2.3
159.00894	7.7
163.00392	25.3
164.98352	4.2
171.04568	10.9
173.06133	3.9
176.01222	5.9
187.00363	14.1
187.04097	2.7
189.01913	4.5
189.99135	7.1
190.99844	12.7
201.05637	6.6
202.99950	9.2
214.99991	5.7
217.01404	3.0
219.08186	5.0
221.06154	3.7
223.04074	3.4
223.07753	4.4
233.06175	2.8
241.05086	4.9
243.06575	4.5
247.07655	5.3
251.07188	4.4
253.05122	4.6
263.07092	6.4
265.05133	5.7
266.06003	3.1
267.06683	40.4
269.04599	12.5
270.07767	2.8
271.06229	11.8
275.07111	6.5
277.05167	2.5
291.06625	22.4
293.04654	3.1
294.05402	3.6
295.02850	5.5
295.06149	100.0
296.06342	5.7
307.06226	5.9
319.06113	41.3
321.04199	5.8
339.05069	4.3
363.05063	21.1
383.09290	3.2
395.13333	2.8
397.11096	3.0
409.05872	3.7
423.12411	8.9
439.11896	11.3
467.11374	30.7
483.10904	7.3
493.09634	3.6
511.11362	8.9
555.09985	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	555.1302
Annotation	7-O-Methyltetrahydroochnaflavone
Peak:m/z	Relative Intensity
54.12455	0.2
59.29510	0.2
65.00336	1.2
67.01883	0.4
68.99832	0.4
69.55766	0.8
79.01906	0.4
83.01381	0.2
95.01398	1.3
96.99312	0.3
99.00881	0.2
108.02186	0.6
109.02968	0.3
111.00896	3.4
123.00867	1.0
124.01667	6.5
136.01688	2.0
136.98805	2.6
139.00397	5.1
147.52475	0.2
148.72121	0.2
151.00400	0.5
152.01164	6.6
153.07086	0.3
156.00673	0.3
157.06575	1.0
164.68221	0.2
164.98286	0.3
165.07077	0.3
166.99884	3.5
169.38789	0.2
171.08168	0.8
173.06126	1.4
178.99889	0.5
180.00688	0.6
181.06593	0.9
183.08177	0.2
184.05444	0.3
185.06126	1.1
193.01433	0.9
197.06081	0.6
199.07632	1.1
201.05580	0.8
209.06174	1.0
215.07162	0.3
225.05557	4.0
227.07158	2.1
229.05061	1.0
243.06624	28.8
244.07028	1.1
253.05064	5.1
254.05312	0.3
255.06525	0.5
271.06125	100.0
272.06458	3.9
279.08359	0.2
283.06134	1.7
293.54770	0.2
394.14734	0.2
511.12280	0.4
555.13074	7.0
556.13452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17744	1.6
57.30262	1.4
60.74255	1.4
60.96522	1.3
65.00328	5.2
68.99827	3.1
69.53214	1.2
81.03454	2.5
83.01396	2.3
86.26314	1.5
88.95631	1.3
93.03443	3.8
95.01401	10.2
96.99319	2.0
98.22645	2.7
99.00909	2.5
108.02187	1.6
111.00893	7.6
115.05535	3.3
117.03495	3.1
121.02950	2.0
123.00885	5.5
124.01671	11.2
125.02479	3.4
131.05026	7.5
136.01654	4.3
136.98859	7.8
139.00412	8.4
141.07144	1.7
145.06702	1.9
147.04622	3.1
149.02426	2.8
152.01129	10.1
157.06572	1.9
159.04541	3.1
161.02586	1.4
161.06091	14.4
163.00424	3.0
164.98323	2.2
165.01944	1.8
166.99881	4.2
167.08609	1.8
169.06555	2.0
171.04526	5.5
171.08215	2.4
172.05287	2.5
173.06059	5.8
175.00267	1.4
175.04025	1.6
175.59212	1.6
178.99971	1.8
183.08058	1.6
185.06044	3.6
187.04050	3.5
190.99864	1.5
193.01369	2.4
195.08223	6.8
197.06076	2.5
199.07652	3.4
201.05595	2.4
202.02872	1.7
209.06088	3.4
211.07637	5.0
213.05533	1.8
215.66884	1.5
216.04321	5.0
225.05579	5.5
227.07182	7.7
229.05057	12.9
239.07039	3.5
241.05098	3.3
243.06636	33.4
246.01819	1.8
251.07164	2.4
253.05193	5.4
255.06685	6.4
267.06525	1.7
268.06082	1.6
269.04517	3.2
269.08200	5.4
271.06116	100.0
272.06302	2.3
283.06119	53.8
284.06384	2.3
291.06549	1.5
295.06110	3.4
297.07684	4.0
323.05496	1.9
352.11877	16.6
365.06598	1.9
367.08078	4.9
394.13037	1.6
421.09131	1.7
449.08517	9.4
468.14816	1.6
509.12531	3.3
511.13925	6.0
537.11938	16.6
555.13135	19.3
556.13184	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	555.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92205	0.9
56.63469	0.9
57.03450	0.9
57.44524	0.9
65.00320	4.7
68.99810	1.7
69.63612	0.9
70.46992	1.6
83.01396	1.7
93.03474	2.3
95.01398	8.5
96.82259	0.8
96.99315	2.1
99.00903	2.3
108.02230	2.0
109.02976	1.5
111.00911	6.2
115.05539	1.2
117.03453	1.5
119.04998	1.3
119.59258	0.9
121.03009	2.2
123.00891	2.2
124.01669	8.6
124.98827	0.9
125.02486	7.0
131.05031	5.8
133.03024	1.5
133.06628	1.3
135.04530	1.0
136.00613	1.0
136.01653	3.6
136.97925	0.9
136.98779	4.5
137.02441	1.3
138.02019	2.2
139.00386	7.7
141.07103	1.9
143.05013	1.0
145.03006	1.3
145.06525	0.9
146.03726	0.9
147.04568	2.9
149.02423	1.9
150.03244	1.2
151.00345	2.0
151.04025	0.9
152.01183	7.5
153.07130	0.9
157.06595	2.4
158.03705	1.0
159.04552	2.2
161.02473	2.3
161.06102	11.0
163.00374	1.8
164.98289	1.0
165.01927	1.9
166.99886	3.8
167.08722	1.2
169.06757	1.9
171.04547	3.6
173.06096	4.6
175.03951	1.4
177.01898	1.3
178.02751	1.4
179.03600	1.2
181.06622	1.7
183.08128	1.9
185.06142	4.1
187.04039	4.9
189.05544	1.2
190.99905	1.2
193.01413	1.2
193.06674	1.4
195.08206	6.3
197.06073	2.0
199.07719	2.0
201.05611	3.1
205.01547	1.0
209.06148	2.2
211.07686	3.1
213.05565	1.7
218.02231	1.2
225.05470	4.2
227.07301	5.7
227.09148	1.1
229.05063	16.9
231.02979	1.6
235.07715	1.4
237.05658	1.6
239.07187	3.0
241.04982	2.3
242.02611	1.1
243.06636	33.3
244.06940	1.2
253.05038	6.7
255.06680	7.8
265.05060	2.2
268.06119	2.5
269.04584	2.6
269.08328	5.0
271.06134	100.0
272.06470	5.4
274.01022	1.1
279.06589	1.5
283.06152	45.4
284.06430	1.1
287.05734	2.0
295.06155	1.7
297.07730	4.5
300.05151	1.8
303.06396	0.9
304.07343	1.4
305.08017	1.5
321.07693	1.7
323.05414	1.0
333.07629	1.5
367.08212	6.2
379.08392	1.0
393.06204	2.6
421.09363	2.1
434.07663	1.0
447.11798	1.0
449.08771	9.7
493.12671	0.9
509.12146	2.6
511.14063	7.8
537.11890	17.1
538.12268	2.0
555.12946	16.9
556.12842	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92267	2.6
59.01395	7.3
61.98827	5.0
65.00319	3.7
67.17638	2.6
68.01444	3.2
69.46799	14.4
71.01390	12.5
78.95910	15.9
79.01899	3.2
79.95731	3.5
82.02996	5.4
82.49602	2.8
83.01388	3.4
85.02969	5.8
91.01939	4.4
92.05090	3.4
94.03004	7.2
96.04583	3.6
96.96014	17.0
101.02479	6.6
108.02193	9.1
108.89593	2.8
109.01735	7.0
109.02977	7.1
110.02489	81.5
111.00885	8.4
111.02022	24.5
113.02462	5.8
122.02483	5.1
123.04521	22.7
124.04070	17.6
125.02511	4.1
137.02452	4.0
146.02467	4.5
150.03262	5.4
151.00414	11.2
151.02837	3.1
152.01225	15.8
152.03543	61.8
153.01970	9.2
156.95988	2.9
164.03545	24.2
165.01950	26.8
165.05560	4.4
166.02745	8.7
167.03508	72.9
180.04353	20.4
181.05115	5.3
182.04671	4.0
195.06648	50.3
197.04549	5.6
209.04546	24.3
209.08255	6.6
230.39249	3.1
239.05698	5.8
254.98325	5.5
269.06662	11.0
284.03354	10.3
296.05322	8.3
299.02258	6.2
299.05591	5.0
311.07730	100.0
312.07907	3.6
314.16196	3.3
379.01236	7.1
396.12878	5.9
422.10959	11.8
428.38693	3.2
464.11984	29.7
476.12045	50.1
477.12292	3.5
512.13995	3.6
555.14691	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.1
70.16615	2.5
70.16959	1.2
71.01392	7.1
79.92770	1.3
85.02953	3.1
89.02468	6.8
91.01900	1.3
98.21952	1.4
100.68089	1.2
101.02460	4.8
108.02185	1.3
109.03004	1.3
111.02030	6.3
113.02461	3.0
119.03596	2.4
121.02979	1.6
137.91418	1.1
149.02460	12.8
150.03252	5.4
151.06155	4.5
152.01208	2.0
153.05710	1.3
163.04008	1.4
164.04811	19.2
165.05582	9.3
166.02617	1.2
167.03468	2.8
175.00391	14.0
179.07143	2.9
190.02730	44.6
191.03505	2.6
197.04535	3.0
201.78006	1.2
205.05077	53.8
206.05772	4.1
207.02995	1.4
208.03882	1.9
209.04558	3.5
221.08214	6.6
223.06120	32.0
237.07664	2.4
265.07184	17.5
295.07977	1.7
325.09277	3.3
341.08746	5.0
385.11270	1.2
393.12125	1.6
443.12109	4.0
492.72418	1.2
519.17242	100.0
520.17609	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14479	3.1
59.01388	100.0
69.59027	9.6
71.01398	7.4
75.00868	7.1
99.30793	3.3
101.02423	4.0
103.00414	7.9
103.01511	55.2
119.05024	5.2
156.18829	3.5
226.52055	3.8
285.03851	4.5
327.12347	6.5
330.53812	3.3
339.12335	13.7
362.59140	4.3
506.55521	4.1
555.27319	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	555.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69295	0.6
55.58276	0.7
59.01376	2.8
61.07200	0.6
61.98805	0.8
69.90250	2.1
71.01396	1.6
77.77528	0.6
78.48959	0.8
78.91891	7.3
89.02431	1.5
90.48508	0.7
93.03475	1.7
93.65791	0.7
95.01389	3.0
96.96009	1.0
101.02428	1.1
113.02486	1.8
116.92884	1.0
116.97088	0.7
121.02976	12.7
122.03756	8.1
123.00900	15.4
123.04526	2.8
133.02982	1.5
134.03738	1.8
137.02452	4.3
138.03233	9.1
139.04033	0.9
149.02458	17.0
150.03239	57.1
151.04050	4.2
153.02013	1.3
153.05579	9.7
160.01695	1.2
161.94441	0.7
164.04823	3.8
165.01956	4.0
165.05580	65.2
166.05930	1.2
166.99869	16.1
167.03519	2.3
175.03978	1.4
180.04327	7.2
181.01437	2.6
181.05022	2.4
182.02220	43.5
183.02661	1.0
193.05078	1.3
195.06638	44.6
196.03789	1.0
196.07019	1.1
197.04561	100.0
198.04892	2.1
216.91725	0.7
224.03262	1.2
239.05605	12.6
286.08493	2.3
295.13303	0.7
301.10843	2.1
311.07684	5.5
345.09842	5.2
393.11932	45.9
394.12274	2.4
519.17017	3.8
555.17181	15.5
556.17834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28700	0.8
59.01374	3.2
65.00317	1.1
68.99822	0.8
69.76917	1.9
69.77275	1.8
71.01384	5.7
72.99366	0.8
82.95388	0.9
83.01376	1.8
84.67798	0.8
85.02958	1.9
87.00888	1.3
89.02456	1.7
93.03461	1.3
95.01376	1.8
96.96014	3.0
97.02979	0.9
98.22664	1.3
101.02440	2.7
108.02155	1.2
109.02957	1.9
111.00872	1.1
111.02037	2.2
113.02463	3.0
121.02976	8.5
122.03764	6.6
123.00904	6.3
123.04536	1.5
124.01647	1.3
133.02956	1.5
134.03740	0.9
136.98851	1.2
137.02467	10.5
137.99548	1.0
138.03247	4.0
139.00381	1.8
149.02440	2.0
150.03236	64.6
153.01991	1.5
153.05612	9.8
155.03525	1.1
160.01682	1.3
161.02484	0.9
161.04518	1.2
165.05582	100.0
166.05922	2.2
166.99828	3.5
167.03477	2.5
168.00656	1.7
175.03986	0.9
180.04271	1.5
181.01433	7.0
181.05145	1.3
182.02246	9.9
183.03035	4.5
193.05019	1.3
195.06604	1.1
196.03853	1.3
197.04558	24.8
201.01935	0.9
209.04553	2.3
211.06355	1.0
213.07741	4.0
225.03986	1.4
227.03377	1.6
254.98160	1.0
284.03174	1.0
285.04144	0.9
299.01987	7.8
299.05295	1.6
311.04062	1.1
326.06531	6.4
338.62592	0.9
341.08795	88.9
342.09088	3.8
347.85803	0.9
363.14429	4.6
378.97516	2.5
393.15707	4.6
429.89297	0.9
517.15607	1.9
519.16998	0.9
555.17407	21.8
556.16809	1.2
565.70178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
57.30579	0.8
58.78698	0.8
59.01375	13.3
65.00339	1.5
67.01920	1.3
69.41707	4.0
70.34592	0.8
71.01379	8.3
73.02936	1.4
75.00884	1.4
79.95746	17.0
80.96484	1.1
81.03493	1.3
84.23234	1.0
85.02956	6.5
87.00880	2.2
88.98837	1.1
89.02456	3.3
91.01913	5.8
95.01385	2.5
96.96001	4.4
99.00874	1.8
100.49739	0.9
101.02458	2.5
107.01399	4.0
108.02189	9.2
109.02930	4.6
110.00102	3.1
111.00888	2.1
113.02446	9.3
117.03488	1.8
119.03481	1.3
121.02985	8.9
122.03728	2.7
123.00890	3.8
123.04533	25.4
125.02430	2.3
136.98868	2.4
137.02429	2.9
137.99577	1.9
138.03230	2.4
139.00349	1.4
139.04053	1.4
143.67664	1.0
145.02988	4.5
146.03757	1.7
149.02440	17.5
150.03198	1.7
151.00397	9.1
152.01173	14.1
153.01865	1.6
153.05612	5.5
161.02483	6.0
162.03268	6.9
163.03958	1.3
165.01900	1.3
165.05542	1.7
165.99066	3.3
166.02702	14.1
167.03506	80.0
168.03954	2.6
175.02495	2.5
175.04120	1.3
177.01939	73.4
177.05489	2.6
178.02699	5.5
179.03520	3.0
181.01460	2.6
181.05063	14.8
182.02191	2.1
191.03557	1.4
192.04289	32.6
193.05026	6.1
194.02214	12.0
195.02948	3.1
196.03712	2.6
197.04558	13.5
202.38794	0.9
207.06612	8.3
209.04558	100.0
210.04926	4.4
211.06110	2.0
212.04776	2.1
214.02809	1.2
221.97377	3.2
222.47427	1.1
223.06067	1.1
224.03346	2.4
225.07623	1.4
239.05614	31.3
254.98097	2.0
263.05606	1.5
269.04391	1.1
269.06671	43.1
284.03281	43.4
285.03693	2.1
299.05484	35.1
300.05905	2.2
311.07684	1.4
313.64453	0.9
325.37274	0.9
329.08749	7.6
334.14487	0.9
345.13358	2.1
355.10565	1.1
359.09714	1.8
363.14352	4.7
379.01294	41.3
380.01434	3.2
393.15518	8.1
475.09009	2.3
537.16101	22.5
538.16614	1.9
555.04553	4.3
555.21161	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	555.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96498	0.1
59.01384	2.6
69.16769	0.3
69.17169	0.6
71.01384	1.0
72.99344	0.1
73.02957	1.0
81.36660	0.1
83.01381	0.2
85.02952	0.3
89.02453	0.6
93.03466	36.0
94.03806	0.4
95.48943	0.1
98.21947	0.3
99.00885	1.3
101.02431	0.6
103.47260	0.1
113.02444	0.7
119.03516	0.2
131.03482	0.2
137.02457	100.0
138.02779	1.7
191.05678	0.2
375.16525	0.4
405.31873	0.2
435.18753	0.5
555.20886	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	555.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
59.01387	100.0
61.98836	3.7
67.01901	1.5
69.54091	2.6
69.54479	3.1
71.01391	24.4
73.02958	17.4
78.95922	1.4
81.03507	1.3
83.01375	3.4
85.02955	8.4
86.80556	1.2
89.02455	12.0
91.01888	2.4
93.03484	7.3
95.01421	3.8
98.21932	2.2
99.00903	2.9
101.02451	13.3
107.01408	2.8
108.02184	6.3
109.02945	5.4
111.00887	2.5
113.02477	11.6
117.03442	1.6
119.03521	1.8
119.05029	2.2
122.03742	1.6
123.04551	13.2
125.02452	2.9
128.03528	1.1
129.05617	3.6
133.02962	3.2
134.03783	11.7
135.04564	11.7
137.02457	24.6
143.03577	1.5
146.71881	1.2
150.03241	2.6
151.00378	13.7
152.01184	13.2
155.32083	1.2
160.01715	1.6
161.02525	6.5
161.04558	6.1
163.11279	3.1
165.05522	1.6
166.02721	15.0
167.03519	49.0
175.04076	2.9
179.03481	7.7
181.05066	11.6
181.12393	15.3
193.05101	10.5
194.02242	10.7
195.03046	1.8
196.02568	1.3
201.31587	1.4
203.05659	1.3
209.04578	83.6
210.04945	1.6
225.11362	61.5
226.11658	2.0
239.05652	12.3
255.05054	3.5
269.06696	35.5
269.09564	2.0
277.21829	1.7
277.36676	1.2
285.04077	2.3
289.21771	2.5
307.22931	6.2
329.08820	12.4
333.04169	1.2
333.20581	1.5
351.21826	7.1
362.33002	1.2
379.08148	3.5
451.26810	3.5
469.27600	5.6
555.20728	23.3
555.28125	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	555.2294
Annotation	Urabaine
Peak:m/z	Relative Intensity
55.01873	2.2
57.03434	3.0
58.00589	1.4
59.01385	100.0
60.01717	1.1
61.98830	2.1
69.03434	1.5
69.34245	5.1
71.01388	74.5
72.99305	3.2
73.02948	13.7
74.51170	1.0
75.06931	0.9
78.95920	1.1
83.01392	6.7
85.02956	19.2
86.00080	2.1
87.00887	12.3
89.02451	89.3
95.01374	4.0
96.96072	1.8
97.02966	2.5
99.00868	3.0
101.02457	56.3
113.01725	1.5
113.02467	23.7
114.05608	1.4
119.03516	13.3
119.04996	1.3
125.02459	10.9
131.02533	2.2
131.03516	39.8
136.46509	1.0
143.03487	4.4
149.04568	56.6
150.04825	1.2
153.87143	1.2
158.50420	1.1
159.03043	1.5
161.04579	13.7
165.54109	0.9
168.00591	1.4
170.99783	1.2
179.05634	27.5
182.02188	2.2
191.05629	20.4
195.06670	2.2
197.04544	3.3
219.06471	1.2
221.06683	16.6
246.96989	1.4
261.63275	1.0
263.07596	2.9
293.08609	1.2
393.17737	42.7
394.17697	1.9
423.18625	3.9
435.18829	1.4
555.22882	52.5
556.23090	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	555.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53311	30.8
55.54292	30.0
59.01375	100.0
61.98838	76.0
71.40527	49.5
73.28413	36.0
76.14294	35.1
78.69730	38.9
90.44437	35.8
99.63029	39.7
119.05016	91.2
144.11874	39.5
293.92072	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	24.6
61.98820	36.1
67.51747	18.0
69.41953	100.0
83.69187	18.2
84.85954	24.3
117.80544	20.9
122.02492	35.5
123.66076	19.0
156.29291	21.0
264.99225	20.3
391.18100	37.2
532.69073	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	555.2815
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
55.01880	1.9
57.03465	1.4
58.00605	0.5
59.01385	100.0
59.27596	0.2
60.01718	0.5
61.98848	0.3
69.03464	0.4
71.01388	21.3
72.99305	0.5
73.02953	9.9
74.47844	0.2
75.00875	0.6
81.03430	0.2
81.93173	0.2
83.01402	3.6
83.05041	0.6
84.02187	0.3
85.02958	11.4
86.00126	0.8
87.00867	1.1
89.02454	5.7
95.01402	2.0
97.02975	0.9
98.22680	0.6
99.00888	3.0
101.02454	17.0
111.00876	1.0
113.02462	8.2
119.03500	1.8
119.05032	0.2
125.02473	0.6
129.01982	0.4
131.03593	0.3
143.03537	1.0
159.03030	0.9
161.04584	4.1
271.20599	0.2
305.75424	0.2
307.22891	0.2
351.21719	0.2
451.26999	0.8
469.28122	7.7
470.28519	0.5
488.89444	0.2
495.25952	1.1
513.13190	0.5
513.27045	2.1
537.27539	0.2
555.28137	91.7
556.28412	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	555.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27009	0.6
55.01883	1.1
56.73311	0.6
57.03453	2.0
59.01385	100.0
69.03461	1.4
69.20519	3.1
71.01389	17.7
73.02958	8.7
81.03488	0.7
83.01406	3.2
83.05049	1.0
85.02960	8.0
89.02456	5.3
95.01420	0.8
97.02982	1.0
99.00893	1.3
101.02467	10.7
109.06647	0.8
109.47238	0.7
111.08182	1.5
111.87196	0.7
113.02454	9.1
118.26912	0.6
119.03518	1.3
125.02488	1.0
143.03549	0.7
149.04582	0.9
153.12924	0.9
159.03004	0.8
161.04565	5.8
191.14513	1.9
203.05659	1.9
203.14438	1.5
261.22092	1.1
273.18665	4.2
277.21997	1.7
289.21750	1.3
307.22842	8.1
351.21750	10.8
451.27155	5.7
469.28250	5.6
555.28186	14.5
556.28510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2816
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
52.32254	0.5
55.01888	0.9
57.03455	4.8
58.00614	0.8
58.27497	0.6
59.01385	100.0
67.22213	0.5
69.03476	0.8
69.68362	0.6
69.68700	1.8
71.01390	20.4
72.99316	0.6
73.02954	24.0
83.01398	7.3
83.05027	1.4
85.02959	5.4
87.00902	0.7
89.02452	7.9
89.02956	0.8
95.01417	0.7
98.22599	0.6
99.00896	1.2
99.04597	0.7
101.02455	21.2
113.02454	9.9
119.03501	3.0
119.05036	0.9
125.02456	1.0
131.03514	1.6
133.01445	0.7
133.05161	0.7
143.03531	2.0
149.04614	1.7
155.03526	0.9
161.02492	0.7
161.04562	6.1
179.05652	1.3
191.14384	0.6
203.05759	1.5
203.14465	0.8
225.72906	0.6
260.54117	0.5
265.10391	0.5
268.26044	0.6
271.06406	0.8
275.20209	0.5
305.21307	0.9
307.22806	6.3
333.20862	1.4
351.21863	4.2
413.97073	0.5
425.13748	0.5
437.56909	0.7
451.27161	1.3
469.28375	1.1
495.26132	0.9
508.62485	0.5
555.28156	20.5
556.28467	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
62.24549	0.6
69.44740	3.3
71.01418	0.9
75.00892	4.4
98.22639	1.5
103.00510	8.0
103.01509	85.5
103.04021	1.4
112.08294	0.7
113.02494	0.7
119.05117	1.1
145.17894	0.7
285.04343	0.8
341.08670	0.7
451.33350	1.4
486.48758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00431	1.9
65.00329	100.0
66.00687	1.4
68.99830	1.0
69.26699	1.0
71.03593	1.7
71.48572	0.8
74.98065	0.8
86.43993	0.9
99.26752	0.8
108.99324	3.9
116.44477	0.9
119.59464	0.8
136.98816	76.0
144.63135	0.9
145.06659	1.0
171.04539	1.9
173.06076	3.4
183.25708	0.8
184.52277	0.8
197.06116	4.8
199.03979	4.7
202.40936	0.9
213.05635	4.8
223.04050	1.3
241.05084	97.4
242.05441	2.8
242.94514	1.0
270.03906	5.6
285.04022	13.1
300.06030	1.6
523.51068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.125
Annotation	Dynemicin N
Peak:m/z	Relative Intensity
57.03456	18.5
59.01373	1.2
64.01925	1.3
65.00324	4.2
65.99858	1.5
68.01419	1.2
70.28807	2.1
81.03457	2.8
83.01392	5.3
95.01406	3.9
96.00914	3.9
106.63854	0.9
107.01383	3.4
107.05042	1.1
108.02188	1.2
109.02948	1.9
110.02499	12.4
111.00883	5.6
117.03481	2.8
123.00900	8.3
124.00457	0.9
124.01703	2.0
125.02460	100.0
126.02801	1.5
131.35110	1.4
133.02954	2.1
134.02483	1.6
134.03743	1.7
135.03542	1.3
135.04529	8.3
136.00401	13.1
138.01987	38.2
143.05061	1.1
145.06551	1.5
151.00374	5.4
159.04466	2.3
161.02475	22.8
163.99927	11.1
165.01926	1.6
169.06584	1.2
171.04501	2.6
172.05252	1.2
177.01988	1.3
180.03087	2.2
185.06146	1.2
201.02005	1.4
211.07751	1.4
213.05658	1.8
216.04242	2.0
240.06673	2.6
242.08223	6.7
255.06654	29.2
255.09184	2.0
256.06876	1.3
264.06552	1.0
268.06168	44.7
269.06708	1.4
270.07779	12.8
285.04135	7.9
287.05634	28.2
296.05475	2.3
300.05170	35.7
301.05630	1.6
308.05701	1.5
352.08167	4.3
352.11826	5.3
392.07855	1.6
394.09354	8.7
538.11365	1.2
556.12500	46.3
557.12946	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	556.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	16.2
63.02389	0.8
65.00330	4.3
65.99839	0.9
69.10183	5.6
81.03455	2.1
83.01394	5.9
96.00890	3.9
98.08747	0.9
107.01408	2.3
108.00930	1.1
108.02166	1.2
110.02470	8.8
111.00885	3.6
117.03450	3.0
124.00419	1.1
124.01659	1.6
125.02457	100.0
126.02766	1.8
133.02966	1.5
134.03746	1.4
135.04550	6.1
136.00420	11.0
138.01985	33.2
139.75887	0.8
145.06602	1.3
147.04454	1.0
151.00386	3.9
158.03778	0.8
159.04562	1.7
160.68314	0.8
161.02455	21.5
163.99896	11.2
169.06570	1.0
171.04500	2.0
177.02013	1.4
180.03035	1.2
180.08194	0.9
186.05894	1.0
201.01950	3.3
213.05627	2.0
215.03302	0.8
215.64439	0.7
223.07475	0.9
226.05144	1.0
227.03427	1.0
240.06723	1.9
255.06639	31.6
256.06760	1.2
268.06161	39.4
269.04291	0.9
269.06805	1.5
270.07523	0.9
287.05618	30.9
288.06046	1.0
300.05139	37.5
301.05319	1.5
308.09137	0.9
334.07068	1.1
352.08173	4.4
394.09305	8.7
394.51620	0.8
443.15656	0.9
480.64767	0.8
529.79962	0.8
556.12543	36.4
557.12799	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
61.98846	6.8
63.02403	1.5
64.01943	1.1
65.00322	13.7
71.05731	1.2
83.01389	5.2
84.26423	1.3
93.03473	4.1
96.00932	4.0
107.01402	11.2
119.05035	78.0
120.05370	1.9
122.80315	1.1
125.02432	2.8
135.99367	2.0
136.00415	37.3
138.01996	3.8
143.05051	2.3
145.02972	1.5
151.00385	60.2
151.37396	1.1
163.99918	47.0
165.01962	3.1
177.01956	2.7
180.03101	2.6
185.06169	2.3
187.04089	5.3
196.07683	2.8
227.07132	3.4
256.06226	4.9
271.06140	88.1
272.06473	2.3
284.05661	100.0
285.06012	3.4
352.11926	1.2
368.07523	1.3
410.08887	2.0
556.12439	27.1
557.12921	3.0
557.27106	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	556.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17999	0.3
55.88202	0.3
59.01382	0.6
61.98837	100.0
65.25191	0.3
69.19155	0.9
69.19569	1.3
71.01392	0.7
72.28845	0.3
79.95758	0.7
80.96542	0.5
88.98859	0.4
96.96011	3.2
101.06693	0.3
111.00951	0.4
113.02507	0.7
121.02992	0.5
135.04510	0.4
139.00420	0.6
153.05626	0.5
165.01991	0.5
167.03551	1.0
197.04616	1.0
234.61543	0.3
239.05759	0.7
254.98305	1.4
283.02606	0.4
299.01816	0.3
299.07874	0.5
300.02670	0.4
301.03500	3.2
312.08017	0.5
315.05304	0.5
380.99338	0.6
401.10953	0.9
477.06760	0.6
493.15652	0.8
557.12360	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	556.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.22923	2.0
71.01389	0.6
87.00896	0.4
88.04056	0.6
88.98806	3.9
89.02467	0.6
96.95994	0.6
109.15699	0.4
123.04556	0.5
124.78990	0.3
165.01855	0.4
167.03542	1.4
209.04597	0.7
215.89413	0.3
255.06721	0.5
269.06628	0.4
301.03528	0.4
311.07715	0.4
325.01932	0.4
341.10971	0.8
410.13498	0.6
487.05832	0.3
493.15576	3.4
494.14966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.98795	0.2
64.46265	0.2
65.00314	0.6
65.99844	0.3
68.99806	0.3
71.01382	0.2
71.87262	0.2
77.96508	0.1
80.05048	0.2
81.03459	0.5
82.00591	0.2
83.01385	0.3
85.02904	0.2
86.60054	0.2
91.01867	0.2
93.03450	0.4
94.02437	0.3
94.02992	2.6
95.01395	0.8
97.02935	0.4
99.00895	0.2
108.02153	2.6
109.02948	0.2
110.00104	0.9
110.02510	0.2
111.00911	1.3
117.03481	0.4
118.04256	0.9
119.05032	0.6
121.02983	0.5
123.00887	3.2
124.01672	20.3
125.02449	0.4
133.03006	0.2
134.03748	0.6
135.00894	0.4
135.04549	0.2
136.98814	0.3
138.02019	0.4
139.00389	0.6
143.05040	0.5
145.02969	0.7
146.03714	1.5
147.04468	0.3
154.33075	0.2
159.04521	3.7
160.05272	0.7
161.02426	0.3
162.02000	0.6
164.98309	0.2
171.04543	3.1
172.05318	13.4
173.02444	0.4
173.05768	0.2
174.03299	0.3
175.03969	0.2
175.99933	0.2
185.06129	0.2
187.04010	9.3
188.04807	3.3
192.03065	0.3
199.04082	1.5
211.07849	0.2
215.03514	3.6
216.04285	44.0
217.04593	1.5
229.05208	0.3
230.05124	0.2
241.05032	0.6
242.08240	0.6
243.06610	0.4
253.05188	0.3
255.06627	0.3
257.08209	4.7
258.08530	0.3
262.88547	0.2
267.02817	0.2
268.06143	0.5
269.04584	1.1
270.07669	1.4
271.06067	0.6
272.06372	0.4
280.06128	0.6
285.04062	0.4
287.05832	0.2
287.60147	0.2
292.09793	0.3
295.06039	0.2
296.06268	0.2
296.09299	0.6
308.05777	0.2
310.07162	1.0
336.08948	0.2
351.11145	0.3
352.11923	100.0
353.08215	0.2
353.12350	4.2
354.09799	0.4
364.08319	0.3
392.08279	0.2
394.09009	0.2
406.09540	0.2
450.08325	0.3
468.14685	0.9
490.02969	0.2
494.13403	0.2
496.16324	0.2
512.14142	0.2
538.12555	0.2
556.11023	0.3
556.19159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
58.00528	0.3
59.01360	0.7
60.30444	0.3
65.99834	0.5
66.58136	0.3
81.03444	0.6
83.01417	0.3
94.03000	2.5
95.01407	0.7
98.02494	0.7
98.21881	0.5
103.34280	0.3
108.02167	2.2
110.00107	0.9
110.02525	0.3
111.00884	1.0
113.91879	0.3
117.03489	0.6
118.04258	1.0
119.05082	0.6
123.00896	2.6
124.01674	19.1
125.02526	1.5
125.85591	0.3
133.02957	0.6
134.03665	0.5
135.04539	0.3
138.01970	0.7
139.00371	0.7
140.03535	0.9
143.05016	0.4
145.02934	0.8
146.03783	1.4
149.99579	0.3
159.04523	3.1
160.05301	0.6
161.02469	1.0
164.98248	0.3
165.00609	0.4
171.04547	2.8
172.05319	12.7
173.02374	0.3
173.05801	0.4
187.04022	8.6
188.04834	3.9
192.02921	0.3
199.04041	1.1
215.03497	3.1
216.04289	37.9
217.04732	1.3
224.07285	0.3
237.60515	0.3
253.05138	1.1
255.06693	0.5
257.08212	5.7
266.08295	0.3
268.06235	1.1
269.04541	0.4
270.07840	1.4
271.06107	0.4
272.06461	0.3
280.03543	0.3
280.06201	0.9
285.04172	0.5
287.05682	0.4
296.09219	0.6
310.07147	0.6
350.10266	0.3
352.11938	100.0
353.12308	4.7
364.08054	0.4
394.09076	1.8
468.14349	1.0
544.97876	0.3
556.12518	1.7
556.18732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98822	3.3
73.86479	0.5
86.28372	0.5
94.02979	2.8
108.02194	2.6
110.00124	0.7
117.03490	0.7
119.05037	1.3
121.02964	9.3
123.00914	2.3
124.01675	18.7
134.03789	0.8
145.02982	0.8
146.03767	1.5
159.03401	0.6
159.04495	3.8
160.05072	0.6
171.04544	2.4
172.05310	12.1
181.06633	0.8
187.04007	8.7
188.04776	3.4
199.03973	1.3
201.05678	1.4
215.03506	3.0
216.04291	40.3
217.04622	1.2
240.26758	0.6
257.08194	4.6
313.07214	2.5
352.11926	100.0
353.12234	4.7
357.06064	1.2
556.25732	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	556.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24798	1.3
54.76420	1.3
55.01891	1.5
56.95126	1.1
56.96477	1.3
58.56964	1.3
59.01385	75.7
69.86156	4.7
71.05039	7.5
72.97536	11.2
80.05053	5.4
80.24833	1.3
82.02992	20.2
83.01380	4.0
83.05019	9.3
84.10140	1.3
86.02465	4.3
87.99909	1.2
96.04557	5.6
98.02488	51.9
98.06107	8.3
108.04565	28.8
124.04053	18.6
126.05614	10.4
127.00375	4.2
140.01770	4.9
142.05145	6.7
152.03549	37.0
168.03020	18.8
170.04604	25.0
178.96182	1.5
196.02528	100.0
197.02873	2.1
210.10876	3.4
212.08772	20.2
214.03593	23.1
279.17929	1.5
281.15775	7.2
309.20709	7.3
341.17938	95.4
342.18225	5.9
428.21237	2.4
435.53531	1.8
447.39664	1.6
450.23367	2.5
494.22266	15.1
510.21936	3.0
538.21368	11.6
539.21106	1.7
556.22491	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	556.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12858	0.2
55.37460	0.2
57.03440	0.4
59.01384	1.5
63.68121	0.2
69.42449	0.9
78.03484	1.9
85.02961	0.2
94.02998	0.2
97.06583	0.3
108.02189	4.0
109.02979	1.2
121.02971	82.2
122.02494	100.0
123.02844	1.4
135.04555	1.1
136.04047	3.5
149.06139	0.3
150.05621	0.8
161.06097	0.2
178.06480	0.4
201.05630	0.4
202.05132	1.0
225.12836	0.2
227.14413	0.7
238.10028	0.4
239.10822	2.0
241.12347	0.2
251.14339	0.3
253.09570	0.2
253.12292	0.4
269.15604	0.4
277.21817	1.3
311.16556	9.2
312.16852	0.5
316.13077	0.2
377.73618	0.2
378.17026	0.3
434.19681	3.9
556.23444	19.6
557.23663	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	556.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.1
58.45834	0.1
59.01374	0.3
65.67002	0.1
73.98891	0.1
74.31250	0.1
77.03984	0.1
78.03487	1.7
78.94032	0.1
94.02988	0.1
97.06599	0.2
98.21813	0.2
108.02186	3.1
109.02995	0.8
110.12756	0.1
121.02972	34.6
122.02492	100.0
123.02843	1.6
133.06622	0.1
135.04538	2.6
136.04024	0.4
146.02499	0.3
149.06078	0.6
150.05679	0.1
161.06125	0.1
175.64331	0.1
177.05591	0.1
178.06316	0.7
201.05562	0.1
202.05104	0.5
207.85590	0.1
225.12756	0.1
227.14471	0.2
238.09937	0.2
239.10765	0.8
253.12390	0.3
268.09891	0.1
269.15448	0.1
272.14355	0.1
311.16534	3.6
312.17023	0.2
334.17981	0.1
335.39926	0.1
377.17245	0.1
378.16962	0.2
433.20233	4.4
434.20380	0.4
462.94327	0.1
556.23413	14.7
557.23779	1.2
567.87415	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	556.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.7
69.10835	3.8
69.11252	6.4
71.01390	3.6
74.25962	1.4
78.95909	2.3
81.03474	3.4
89.02460	3.5
98.22652	2.4
101.02464	3.2
112.74860	1.3
122.02556	2.8
146.20682	1.3
166.47308	1.6
188.17688	1.6
207.46248	1.5
242.08163	2.1
243.06572	1.8
253.09361	20.2
268.06296	2.1
270.07742	2.1
277.21756	100.0
278.22119	4.8
279.23337	38.5
280.06165	1.5
280.23730	3.9
281.23981	3.0
296.05850	2.1
330.00720	1.5
504.31174	10.9
505.53839	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	556.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
61.98831	10.5
64.01952	1.5
65.00300	1.3
65.99846	4.6
69.36476	6.9
71.01366	2.7
72.53403	1.3
81.03468	2.0
95.57774	1.3
101.02436	1.7
110.19100	1.4
119.00150	4.2
124.14271	1.6
126.81837	1.3
146.99655	3.1
174.99117	2.4
175.99899	3.9
207.92480	1.4
253.09277	14.2
268.06299	1.7
270.07703	1.7
277.21741	100.0
278.22070	4.0
279.05371	5.5
279.23322	13.8
280.06134	4.9
280.23730	1.8
296.05569	2.7
367.07043	4.8
394.10800	2.9
454.12982	4.4
466.09238	2.5
471.34497	2.5
498.12054	6.2
504.31177	6.5
556.32465	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	557.025
Annotation	Quercetin 3-glucuronide-3'-sulfate
Peak:m/z	Relative Intensity
53.04478	0.6
59.01276	2.7
60.54977	0.8
60.60703	0.7
65.00243	1.2
69.04703	1.1
69.05108	4.3
71.01283	2.9
79.95632	14.9
79.96148	1.7
82.00488	0.9
85.02839	2.6
87.00808	1.1
95.01278	2.0
96.95897	9.3
99.00814	1.2
110.00105	8.7
111.00901	11.2
113.02335	2.4
121.02914	1.1
123.00733	2.2
125.02340	2.1
133.02907	0.9
134.03595	2.7
134.08594	0.8
135.04521	5.3
136.98686	2.2
137.99615	4.5
139.00395	17.8
149.02324	0.8
151.00404	4.0
153.01794	2.8
161.02357	1.5
164.00996	1.0
164.98218	2.6
165.01884	0.9
165.99071	11.1
166.99825	3.7
167.03291	0.8
173.04416	1.4
175.02396	0.9
177.01834	1.5
178.91116	0.7
178.99773	2.1
181.01302	1.3
183.58212	0.7
187.03975	1.5
192.00525	2.0
193.01338	1.5
199.03804	0.9
201.05553	1.1
211.03911	2.5
214.02655	1.1
215.03435	1.5
227.03484	2.0
228.04231	0.9
229.05003	1.7
236.97922	3.6
239.03510	3.7
241.00214	3.2
254.98129	3.2
255.02994	1.4
256.03677	2.4
257.04559	1.1
258.01633	1.0
283.02490	2.7
299.01944	3.8
300.02768	54.5
300.40363	0.8
301.03537	100.0
302.03888	5.6
314.04318	2.0
315.05118	92.9
316.05551	4.2
343.04810	0.8
364.91931	0.7
380.99240	60.9
381.99643	2.8
395.00818	4.4
477.06573	34.4
478.07413	2.2
529.69690	0.8
557.06458	35.4
558.06555	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	557.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10384	0.6
58.88317	0.6
59.01318	1.9
62.30782	0.7
65.00287	1.0
69.58501	1.6
69.58892	1.4
71.01320	2.5
71.25709	0.5
71.64075	0.6
79.95742	15.5
80.96476	0.8
82.00563	0.9
85.02892	1.9
93.03412	1.1
95.01335	1.4
96.96011	9.3
97.45274	0.7
99.00851	1.4
110.00102	8.0
110.59474	0.6
111.00887	9.0
113.02373	1.9
115.00323	0.9
123.00819	1.1
125.02370	1.3
128.93178	0.7
133.02910	1.1
134.03777	3.0
134.04616	0.6
135.04552	3.6
136.98734	1.7
137.02310	0.8
137.99518	2.8
139.00388	11.5
151.00313	2.6
153.01959	3.6
161.02354	1.1
164.98257	1.5
165.97647	0.7
165.99089	10.9
166.99805	1.5
173.04488	2.6
175.02361	1.2
177.01881	1.0
178.99849	1.5
181.01381	1.3
189.48793	1.0
192.00606	1.1
193.01373	0.8
209.04684	0.9
211.03979	1.3
213.02058	0.7
214.02689	1.2
215.03458	1.3
227.03488	1.3
228.04160	0.8
229.05090	1.0
236.97981	3.3
239.03485	2.3
241.00136	6.2
254.98218	4.7
255.02899	1.4
256.03577	0.9
257.04517	0.8
258.01767	0.8
271.06296	0.9
283.02554	2.6
299.01877	3.5
300.02762	44.3
301.03537	68.4
302.03854	3.0
314.04349	2.2
315.05112	100.0
316.05377	3.4
380.99231	37.8
381.99612	1.3
395.00601	4.7
401.14465	1.5
477.06396	20.6
478.07037	1.5
557.06305	40.0
558.06885	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	557.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	1.8
70.98939	1.0
78.59956	0.6
79.95745	4.3
83.54872	0.6
96.96021	100.0
97.93157	0.8
104.14458	0.6
108.99274	0.6
114.93376	0.9
119.05025	3.3
127.44934	0.7
136.98862	1.6
152.87581	0.6
164.98296	4.9
166.99854	0.8
252.38126	0.7
252.40991	0.7
268.03748	1.0
269.04507	1.6
271.06238	2.4
283.06314	1.1
285.04169	6.1
299.05551	1.2
327.05005	0.7
393.06332	0.7
427.99374	0.7
511.10941	0.8
539.09930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69983	0.6
59.01387	1.1
60.63766	0.6
65.00327	1.3
68.64839	0.6
71.01398	0.7
87.30585	0.6
96.96021	1.5
110.00120	2.9
111.00907	0.9
114.37680	0.6
128.48154	0.6
133.02995	2.1
135.04536	3.0
136.98798	1.9
137.99619	1.4
152.01129	0.7
153.01927	1.1
161.02382	0.7
163.90878	0.7
164.01186	0.7
164.98285	2.1
165.99065	3.6
177.01901	1.5
180.11519	0.6
183.04564	0.6
190.99918	1.0
199.04005	1.7
201.01974	1.0
203.03369	0.7
214.02728	1.1
216.04367	1.0
227.03499	2.7
228.04327	2.4
229.15331	0.8
230.02092	1.0
232.03789	0.9
242.99886	0.8
244.03777	0.9
247.06119	0.8
256.03568	0.9
271.02588	4.5
272.03381	0.7
283.02618	0.9
285.04080	0.8
299.02020	20.2
300.02771	44.7
301.03183	2.4
313.03433	1.3
314.04291	8.7
315.05133	100.0
316.05438	4.5
329.06805	0.8
355.96643	0.7
395.16772	1.1
477.10419	89.4
478.10544	4.5
557.06104	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	557.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91040	1.2
55.93158	1.2
58.23480	1.4
61.98819	7.6
65.00327	19.4
68.98031	1.7
69.83823	3.1
69.84192	2.5
72.97531	10.4
78.95901	1.6
80.98051	14.7
83.01414	1.5
92.99818	14.2
93.98837	4.3
96.96012	2.7
96.97554	4.9
96.99299	3.5
98.21965	2.7
107.01376	1.5
108.94135	1.2
110.00086	1.7
111.00856	2.1
114.98609	19.6
120.99333	23.7
123.00867	1.5
124.01658	3.6
125.97856	1.3
128.96510	5.2
136.01675	2.6
136.98802	10.6
137.97815	3.6
139.00362	3.3
140.96507	12.8
141.07127	1.6
145.06537	3.2
151.00349	3.2
152.01128	1.5
152.96521	21.2
159.02739	1.3
163.25613	1.3
164.98306	20.7
166.99869	1.6
168.96028	10.5
169.06590	2.5
171.04532	5.6
177.99034	1.9
180.96034	3.2
181.96848	9.6
182.97523	3.3
185.06032	1.8
187.07660	1.6
196.95508	24.5
197.06134	1.6
200.65498	1.2
201.03838	1.5
203.01813	1.2
209.96307	4.2
211.07716	1.6
213.05626	3.1
225.05627	4.5
229.03174	2.1
243.06631	16.0
245.02759	3.8
253.05067	7.7
255.06638	41.9
256.07141	2.1
257.02798	11.8
269.04565	58.7
270.05197	3.6
271.06110	33.5
273.02216	3.4
285.02277	53.9
286.03040	15.2
287.03848	26.2
301.01779	100.0
302.02017	2.7
557.09100	20.6
558.09363	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	557.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83410	1.8
55.90573	1.9
58.91625	2.1
59.01386	2.3
63.84405	1.8
65.00332	34.0
79.95744	5.7
83.01376	2.8
85.02956	2.6
92.99833	7.3
95.01376	5.4
96.96020	95.7
96.99299	8.8
98.21919	8.4
108.99300	1.8
111.00871	5.4
113.02444	3.5
114.66636	1.9
115.98613	2.2
119.05037	31.9
120.99311	3.2
136.98819	27.6
139.00392	12.1
141.01898	3.6
143.05031	4.0
145.02928	2.6
149.99553	3.0
151.75414	1.9
153.01952	15.2
164.98309	56.7
165.98994	3.0
166.98631	2.0
166.99884	8.6
169.06638	3.0
171.04492	5.7
173.06148	2.9
177.01953	2.3
181.01411	6.8
187.04025	3.9
192.97612	2.0
193.01390	2.7
197.06116	2.3
199.04016	3.8
201.05548	2.6
209.00937	4.3
225.05595	3.1
228.53719	2.0
229.05107	2.7
241.05066	12.6
243.06609	4.5
253.05183	2.5
268.03781	8.0
269.04568	100.0
270.04944	4.7
271.06033	8.3
283.06000	4.7
285.03983	23.5
287.05627	31.8
291.09787	1.9
295.06189	2.6
313.03702	4.0
315.05151	16.2
341.03018	4.1
343.04581	3.8
349.07339	3.0
367.08044	2.6
495.10934	9.2
511.10355	3.6
513.11914	15.8
516.61212	2.5
539.09918	9.4
557.12561	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	557.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61269	0.4
57.53332	0.6
59.01382	9.7
60.01703	0.8
61.01820	0.5
69.20827	2.4
71.01386	3.3
72.16696	0.5
72.99298	0.5
73.02945	1.5
75.00893	0.6
78.67180	0.5
78.95892	0.5
81.78008	0.5
81.98544	0.5
83.01387	1.0
85.02969	2.5
93.03482	0.7
95.01382	1.2
99.00898	0.8
101.02456	1.9
105.03447	0.9
106.02728	0.5
111.00882	0.6
113.02454	4.5
114.05591	0.7
117.03475	2.6
119.05041	2.4
120.94777	0.5
126.90472	1.4
133.02966	0.8
135.04480	0.6
137.02467	0.9
161.02496	1.0
162.03229	2.0
173.06166	0.8
175.02545	1.0
175.04030	0.8
177.02031	1.3
190.02731	3.7
191.07114	0.7
217.01418	1.4
217.05096	0.5
219.06622	2.7
240.98865	0.5
265.80783	0.5
281.04593	1.3
283.02280	0.5
284.03168	3.4
285.03406	0.5
298.04834	6.6
307.06177	0.7
309.04089	16.4
310.04578	0.8
323.05701	1.0
324.06421	8.8
325.06891	1.1
330.03949	1.2
332.83740	0.5
335.09219	1.4
337.07169	1.7
352.05933	10.7
352.09900	1.0
353.06619	0.9
353.10400	6.1
381.09814	100.0
382.10095	4.8
395.49075	0.5
556.28827	3.0
557.12720	0.9
557.28827	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03463	1.7
59.01385	65.0
60.01719	6.2
61.01815	1.5
61.97143	0.5
61.98831	1.8
69.03468	0.7
69.40691	1.9
71.01388	13.8
72.01736	1.2
73.02953	6.8
74.03289	0.7
75.00887	0.8
83.01397	2.0
84.95104	0.4
85.02965	6.2
86.03307	0.7
87.00882	1.0
89.02450	3.5
91.01900	0.6
92.06671	0.5
93.03456	2.1
95.01414	1.5
96.32465	0.4
96.96046	0.7
98.39270	0.4
99.00877	2.7
101.02453	7.2
102.02808	1.7
103.02906	0.4
105.03465	1.0
106.46724	0.4
108.02214	0.6
111.00900	0.9
111.08156	0.7
113.02464	7.6
113.58424	0.4
114.02785	1.1
116.92873	1.5
117.03478	2.5
119.03534	1.2
119.05051	2.1
123.04538	2.1
125.02474	0.8
137.02443	6.2
141.01900	0.5
143.03523	0.6
150.03236	0.5
151.00409	0.7
152.01176	1.1
157.98322	0.4
159.03072	0.9
161.02505	1.1
161.04555	3.7
162.03267	2.4
162.04848	1.0
167.03508	8.6
175.04015	0.4
177.01981	0.5
179.05652	0.4
187.04112	0.6
190.02707	4.1
191.07167	1.1
201.05656	0.6
203.05627	0.9
204.04271	0.6
217.01469	1.0
217.05095	0.8
219.06624	1.5
221.04536	0.7
224.04749	0.4
253.04939	0.7
255.03088	0.5
265.97903	0.5
273.18707	1.2
274.18967	1.5
275.19424	1.0
278.21997	0.6
281.04486	1.7
284.03345	4.1
290.22128	0.6
298.04825	7.2
307.22791	2.5
308.23190	3.6
309.04095	17.6
309.23471	0.9
310.04388	1.2
311.07684	3.0
323.05655	1.3
324.06436	10.6
325.07098	1.7
330.03867	2.0
335.05750	0.6
335.09290	2.0
337.07220	1.4
351.21808	3.4
352.05945	9.6
352.22116	5.5
353.10358	6.1
353.22247	2.1
379.08368	0.6
381.09811	100.0
382.10172	4.3
389.06403	1.8
452.27365	2.7
453.27698	1.2
470.28506	3.0
471.28769	1.2
503.35794	0.5
521.10565	7.8
556.28491	8.1
557.13525	0.5
557.28723	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	557.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01385	15.2
61.98819	1.8
67.43547	0.4
69.33614	2.3
71.01392	5.5
71.80789	0.5
73.02956	1.8
75.00867	0.8
83.01395	1.0
85.02955	3.8
87.00886	1.0
88.97752	0.5
88.98320	0.6
89.02455	2.3
93.03474	1.7
95.01377	1.0
96.96058	1.0
98.21925	0.8
99.00886	1.5
101.02451	2.3
110.00105	0.5
111.00960	0.6
111.96838	0.6
113.02467	5.4
115.92113	0.6
116.92882	4.0
117.03477	2.9
119.05059	5.0
126.90448	1.8
127.00459	0.6
128.03568	1.2
129.01920	0.6
133.02965	0.8
133.06584	0.7
135.04593	0.8
135.08104	1.0
143.03523	0.5
143.05014	1.0
144.17442	0.6
147.04573	0.7
147.08208	0.5
150.03159	0.7
161.02483	0.9
161.04526	0.9
161.06122	0.6
162.03235	2.1
171.04660	0.5
173.06113	0.7
175.02563	0.6
175.03978	1.2
187.04044	0.9
187.07710	0.8
190.02655	0.9
191.07138	1.7
192.24397	0.5
201.05672	0.6
204.04245	0.5
204.97798	1.9
205.05080	1.2
207.06557	0.7
215.06924	0.6
217.05106	0.7
219.06653	3.1
231.10356	0.6
233.08176	0.6
243.06555	1.0
255.02922	0.6
261.07596	0.9
263.13065	0.6
266.05542	0.6
281.04556	0.8
283.02512	1.1
284.03305	7.6
296.03513	0.7
298.04910	3.9
299.41620	0.5
309.04132	4.9
310.04520	0.8
324.02744	6.9
324.06442	6.8
326.04306	0.5
337.07007	2.7
352.06055	0.8
352.10181	0.6
353.10324	36.5
354.10675	1.4
379.08246	0.5
381.09818	100.0
382.10107	4.0
429.11118	0.5
519.19055	0.6
557.12848	1.5
557.21613	0.8
557.29846	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	557.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70094	1.4
55.01892	1.7
56.82479	1.4
57.03442	2.4
57.93207	1.4
59.01384	100.0
61.98829	6.4
62.79805	1.5
69.03464	2.2
71.01386	23.5
73.02955	8.2
75.00832	1.6
80.69925	1.5
82.95428	4.6
83.01398	4.2
85.02959	12.9
87.00910	3.3
87.04533	2.1
89.02469	5.7
95.01421	2.5
96.96014	3.9
97.02939	2.5
99.00880	1.8
99.92582	3.4
100.93341	2.3
101.02451	12.4
113.02458	11.9
115.92081	3.2
116.92865	25.5
117.03494	2.4
119.05038	3.6
121.06611	4.1
125.02441	3.5
128.03503	1.4
135.04568	2.1
137.02460	3.3
143.03532	5.7
147.08168	2.1
159.03038	2.1
161.04570	19.4
167.03540	2.1
257.01627	1.7
269.04614	2.4
283.02652	2.2
284.03250	9.9
285.03995	1.8
317.21240	4.2
329.13599	1.7
335.22119	3.0
353.23227	3.1
394.66342	1.6
405.25372	1.4
408.81253	1.6
418.84924	1.7
469.28052	1.6
476.16989	1.8
491.19254	15.9
496.26251	2.0
497.27573	37.3
503.19241	16.9
515.28540	12.2
521.20337	3.7
529.29962	2.6
557.13165	3.5
557.29456	6.7
560.78809	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	557.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70094	1.4
55.01892	1.7
56.82479	1.4
57.03442	2.4
57.93207	1.4
59.01384	100.0
61.98829	6.4
62.79805	1.5
69.03464	2.2
71.01386	23.5
73.02955	8.2
75.00832	1.6
80.69925	1.5
82.95428	4.6
83.01398	4.2
85.02959	12.9
87.00910	3.3
87.04533	2.1
89.02469	5.7
95.01421	2.5
96.96014	3.9
97.02939	2.5
99.00880	1.8
99.92582	3.4
100.93341	2.3
101.02451	12.4
113.02458	11.9
115.92081	3.2
116.92865	25.5
117.03494	2.4
119.05038	3.6
121.06611	4.1
125.02441	3.5
128.03503	1.4
135.04568	2.1
137.02460	3.3
143.03532	5.7
147.08168	2.1
159.03038	2.1
161.04570	19.4
167.03540	2.1
257.01627	1.7
269.04614	2.4
283.02652	2.2
284.03250	9.9
285.03995	1.8
317.21240	4.2
329.13599	1.7
335.22119	3.0
353.23227	3.1
394.66342	1.6
405.25372	1.4
408.81253	1.6
418.84924	1.7
469.28052	1.6
476.16989	1.8
491.19254	15.9
496.26251	2.0
497.27573	37.3
503.19241	16.9
515.28540	12.2
521.20337	3.7
529.29962	2.6
557.13165	3.5
557.29456	6.7
560.78809	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	557.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.5
61.38487	1.6
61.98833	21.2
62.13071	1.7
65.00316	1.6
69.72428	5.8
69.72803	2.7
71.01388	23.1
72.66875	1.7
72.99313	2.6
73.02938	7.4
75.00870	3.5
83.01412	2.3
85.02974	10.7
87.00874	3.1
89.02457	16.4
93.03384	1.8
95.01379	3.0
97.02969	1.9
98.22604	2.2
99.00857	2.1
101.02451	16.1
113.02457	15.9
117.03485	3.1
119.03529	8.2
119.05035	5.2
124.01704	1.9
131.03589	2.3
143.03500	2.6
145.63614	1.8
147.08176	1.7
161.04564	5.1
179.05649	5.8
202.23300	1.5
203.03801	1.7
208.92078	1.6
217.05154	2.2
245.04742	2.0
261.04105	1.8
270.86691	1.8
284.03262	6.4
290.42987	1.6
291.64807	1.8
312.10220	1.7
315.04919	1.8
335.22406	3.3
341.13947	4.1
353.23340	3.8
358.20621	1.8
379.08420	1.8
381.09982	3.8
440.87915	1.7
449.62808	1.6
497.27646	17.1
515.28534	18.3
521.20227	6.3
539.21436	4.3
557.22223	7.9
557.29700	100.0
558.30157	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	557.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20820	2.1
51.92340	1.9
59.01383	39.3
61.98822	5.1
62.86329	1.9
66.13493	1.9
67.01901	3.4
71.01382	6.5
72.89567	2.1
72.97540	1.9
73.02938	9.1
79.95729	4.7
83.01388	4.3
90.21207	2.3
96.96019	65.6
97.02937	2.2
98.02476	12.5
101.02443	6.2
102.04852	2.4
108.02187	2.1
108.04542	6.7
109.02958	39.9
111.00893	2.8
113.02465	2.7
119.05042	6.1
124.04077	3.2
125.02428	2.7
133.02971	100.0
135.04512	6.3
145.02975	5.0
148.05322	3.4
151.04008	4.2
152.03534	7.3
153.03865	2.2
159.04521	3.9
160.05315	2.6
161.02414	6.4
168.03058	3.7
170.04604	4.5
171.04816	3.6
172.05286	3.5
173.06128	3.6
174.03232	11.1
175.03998	33.5
177.01865	7.3
187.04037	4.9
188.04791	4.6
196.02501	11.7
197.02785	3.9
199.03990	20.5
200.04646	4.7
201.01907	6.4
203.03477	5.0
213.09055	2.4
214.03517	4.7
215.03517	6.6
216.04292	9.8
217.05019	22.4
227.03395	3.4
237.05591	8.7
243.03099	10.8
245.04480	2.4
259.13419	5.1
271.02509	19.5
273.04163	2.2
277.14484	7.2
278.60474	2.2
291.19611	2.9
311.12939	5.0
323.16483	2.5
329.13947	16.2
341.17834	7.4
342.18195	10.2
367.15503	12.4
379.17490	7.9
385.16547	7.3
393.17029	9.1
403.17828	26.2
409.16507	2.7
411.17941	2.6
421.16434	30.3
439.17657	4.8
453.22031	2.7
459.20007	2.6
465.15717	6.6
471.22333	17.4
483.16373	3.2
495.20233	56.3
496.20609	4.3
513.23578	40.7
514.23041	2.6
529.20660	4.4
539.20984	7.1
557.20282	95.1
558.20428	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	557.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.8
59.01387	2.1
61.98841	1.8
71.05021	1.5
71.06133	0.9
83.05030	2.0
85.02947	3.5
87.04531	5.5
97.06579	1.3
101.06087	10.2
101.48814	0.9
109.06599	2.2
113.02425	4.6
113.06099	5.2
115.04025	100.0
115.07661	12.7
115.34219	0.8
116.04406	1.1
123.42660	0.7
135.08199	4.6
143.07144	1.7
155.03465	0.8
171.06635	2.1
177.78500	1.0
203.14293	0.9
217.15964	3.2
243.13840	1.7
245.15489	3.3
261.14832	2.0
273.18692	0.9
289.14493	27.9
290.14938	1.3
323.37439	0.9
345.17090	6.5
445.96936	1.0
447.95132	1.0
461.21860	74.4
462.22275	4.7
553.83087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44905	3.4
59.01394	12.5
61.98836	33.4
69.11494	25.3
87.04517	9.0
95.05016	6.2
97.02944	10.6
98.21793	6.2
101.06075	26.0
113.06097	19.9
115.04027	100.0
115.07668	25.5
116.77352	3.9
117.03486	6.0
118.23273	4.0
119.05017	9.3
122.02518	5.3
135.04535	9.7
143.07120	12.4
163.07677	4.6
169.90305	3.7
171.06639	13.2
187.07686	4.6
209.11826	4.2
271.13354	5.4
289.14450	43.4
290.14706	5.3
292.22760	3.9
303.53943	4.1
338.46747	4.3
345.17114	8.7
381.19003	4.9
430.85294	4.0
461.21710	23.9
557.21356	38.5
558.20966	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	557.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	9.7
67.44185	5.7
69.96341	19.0
70.68938	5.2
71.99915	5.8
78.12180	5.3
87.04525	64.2
91.53249	6.3
98.22649	7.9
110.06897	6.4
115.03308	9.0
115.04041	100.0
122.02499	9.9
183.21710	5.9
246.03807	6.9
268.21481	5.8
280.91779	5.8
287.68961	6.0
289.14517	27.1
291.84512	6.7
345.17108	8.8
461.21851	81.7
555.26202	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	557.216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12817	3.2
59.01382	5.3
62.07252	3.1
63.74164	3.5
71.41294	2.7
85.02958	3.3
87.04529	10.2
97.62082	3.0
101.06100	5.9
112.61443	3.2
115.04028	99.5
115.07687	4.5
122.02492	25.9
132.46951	3.3
171.06694	7.7
186.73764	3.4
217.15976	5.0
272.09647	3.7
289.14505	30.5
345.16965	10.5
460.80551	3.5
461.21918	100.0
461.28439	6.1
544.96838	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	557.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56922	0.9
53.57735	1.0
57.03437	1.6
59.91991	0.9
61.98830	1.3
69.93078	3.1
74.19022	1.0
83.05042	1.7
85.02951	3.7
85.06631	1.1
87.04523	53.9
93.03496	1.3
101.06100	6.4
109.06612	3.2
113.06091	4.2
115.04025	100.0
115.07677	5.4
116.04314	1.0
125.09719	2.4
125.94801	1.1
131.08629	1.2
135.73486	0.9
158.89064	1.0
159.10265	1.2
171.06683	1.5
171.10237	1.5
201.12820	1.4
203.14384	1.4
217.15968	3.8
219.13879	2.3
221.15404	1.4
229.29892	1.0
243.13998	1.5
245.15408	1.0
255.17619	1.7
289.14462	22.7
290.14813	1.6
291.19644	3.9
345.17096	8.9
403.22931	1.4
433.22464	2.8
461.21854	90.6
462.22324	6.5
557.33051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
85.73981	2.6
86.23659	3.1
120.43630	2.7
121.02960	30.5
122.02501	100.0
122.03295	8.5
123.02850	21.0
127.03222	2.7
135.04578	3.5
209.55632	3.3
406.23700	3.2
434.20831	3.7
557.24109	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2243
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
58.39310	0.8
59.01384	26.7
63.34927	0.8
69.03461	2.4
71.01394	14.8
73.02944	2.3
83.01408	2.3
85.02959	6.0
85.87225	0.9
87.00882	0.9
89.00709	1.0
89.02444	6.8
89.20128	0.7
95.01392	1.2
96.96014	1.1
97.02963	3.5
98.03749	1.8
99.00861	1.8
99.04520	3.7
101.02454	10.3
109.06584	1.5
111.00893	2.5
113.02447	5.6
119.03492	1.5
119.05037	2.7
124.01718	4.4
125.02455	2.3
135.04561	1.3
141.07141	1.1
153.09238	1.2
159.04604	0.9
173.09758	3.3
175.11285	2.3
187.11351	1.0
205.04948	1.0
253.40791	0.9
271.17062	1.4
273.14941	2.6
289.18161	10.0
300.13559	1.1
307.19101	2.5
315.16040	3.3
333.17007	2.0
351.18118	3.2
359.14890	4.7
469.24380	6.0
513.23438	3.0
539.21393	14.7
540.21930	1.5
557.22437	100.0
558.22742	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	557.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12485	0.5
59.01387	100.0
60.01739	0.6
60.08558	0.5
61.90900	0.6
61.98840	3.2
69.03487	1.0
71.01391	3.6
71.05040	1.7
79.08207	0.5
79.48709	0.5
83.01424	0.9
85.02992	0.9
98.02502	1.1
112.23174	0.6
113.02507	1.0
117.03510	1.7
119.05074	2.2
121.03032	0.9
122.02473	0.7
135.04587	1.7
152.03642	0.6
189.59766	0.6
196.02690	1.5
221.08168	3.3
252.06758	0.6
291.19791	0.7
342.18085	0.8
343.19629	0.8
381.11960	0.9
394.27856	0.6
471.26059	1.2
513.27325	4.6
545.24176	0.6
557.20929	1.4
557.30371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12485	0.5
59.01387	100.0
60.01739	0.6
60.08558	0.5
61.90900	0.6
61.98840	3.2
69.03487	1.0
71.01391	3.6
71.05040	1.7
79.08207	0.5
79.48709	0.5
83.01424	0.9
85.02992	0.9
98.02502	1.1
112.23174	0.6
113.02507	1.0
117.03510	1.7
119.05074	2.2
121.03032	0.9
122.02473	0.7
135.04587	1.7
152.03642	0.6
189.59766	0.6
196.02690	1.5
221.08168	3.3
252.06758	0.6
291.19791	0.7
342.18085	0.8
343.19629	0.8
381.11960	0.9
394.27856	0.6
471.26059	1.2
513.27325	4.6
545.24176	0.6
557.20929	1.4
557.30371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2291
Annotation	Scutebarbatine A
Peak:m/z	Relative Intensity
57.03449	0.1
59.01382	0.2
62.11071	0.1
69.46814	0.2
78.03490	2.9
83.01398	0.1
85.02967	0.1
94.02974	0.2
97.06617	0.2
104.05040	0.1
108.02181	1.4
108.04572	0.2
109.02978	0.5
120.04541	0.1
122.02489	100.0
123.02833	1.5
135.04535	0.2
136.04048	3.4
137.04433	0.1
146.02469	0.2
148.04103	0.1
150.05618	1.3
158.06151	0.1
161.06091	0.1
178.05075	0.2
178.06371	0.4
196.07710	0.1
202.05106	1.5
213.04240	0.1
222.09213	0.1
224.10924	0.1
225.12946	0.1
227.14423	0.1
230.04575	0.1
238.09909	0.1
239.10730	0.5
240.10725	0.0
248.98065	0.1
253.12434	0.1
261.54495	0.1
268.09854	0.1
311.16534	2.6
313.14563	0.1
316.17145	0.1
334.18100	0.3
372.19766	0.1
378.16986	0.4
390.20432	0.1
410.95236	0.1
421.15741	0.1
434.19736	2.7
435.20102	0.2
475.32605	0.1
527.10101	0.1
557.22913	7.7
558.23346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37686	0.1
57.03455	0.2
59.01373	0.3
61.98854	0.1
68.05988	0.1
78.03490	1.6
85.02991	0.2
94.03005	0.2
108.02184	1.4
108.04609	0.1
109.02955	0.5
114.47006	0.1
114.99321	0.1
122.02499	100.0
123.02847	1.6
135.04549	0.2
136.04050	3.1
150.05640	1.2
178.06400	0.4
202.05130	1.3
239.10852	0.4
246.16245	0.1
269.15677	0.2
311.16550	2.4
312.16605	0.2
378.17130	0.5
379.11804	0.1
434.19818	2.4
461.22318	0.1
557.22949	8.0
558.23029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12151	6.1
57.95227	6.5
59.01365	10.8
61.98839	14.6
63.72536	7.0
68.77204	6.1
69.27209	39.7
85.06619	6.8
87.04521	100.0
88.43603	6.1
93.92746	8.0
95.11639	6.5
98.14047	6.1
113.06088	14.2
115.04025	69.8
125.09703	8.3
136.33795	7.0
139.04001	26.9
171.06639	30.1
189.07613	10.2
349.20297	41.0
419.24127	15.1
461.21750	12.1
472.21793	7.5
557.24927	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	557.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	2.6
59.01383	63.0
61.98827	3.7
71.01389	2.3
71.76765	1.4
72.97551	9.5
73.02948	2.1
74.02489	2.7
75.07646	1.3
82.02982	3.4
83.05005	1.5
86.02486	23.8
87.00876	1.4
89.02461	1.8
90.57269	1.2
90.59631	1.2
93.03448	2.1
98.02469	1.3
99.00927	1.8
101.02461	2.7
113.02480	2.2
119.05030	8.7
120.05415	1.1
127.02292	1.1
127.05130	4.3
127.08784	14.4
128.03554	100.0
129.03914	1.5
131.94345	1.3
137.02444	2.3
153.06694	5.8
159.04384	1.5
163.00264	1.6
171.07768	65.7
182.47456	1.1
196.02562	1.4
197.05713	3.5
210.10841	4.0
212.08789	17.1
215.06754	23.3
245.04584	5.4
279.17691	1.4
281.15900	4.8
307.19189	1.9
309.20767	1.4
335.22339	2.5
341.17935	46.5
342.18134	3.2
366.21030	3.1
381.09827	4.2
428.21155	23.2
539.24402	4.1
557.11841	6.0
557.24860	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	557.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	2.3
59.01385	26.8
59.22438	1.7
61.98832	7.2
65.00336	2.1
69.03453	1.6
71.01381	3.7
71.40132	1.7
72.97545	1.7
73.02943	3.0
78.95909	3.1
82.02998	3.7
83.01392	2.2
84.04578	3.1
85.02972	2.1
86.02486	19.9
87.04516	2.0
89.02460	2.9
90.38802	1.4
93.03468	4.6
95.05107	1.8
95.91828	1.3
96.96038	3.9
98.02495	4.0
101.02446	4.7
109.02969	4.0
113.02464	2.9
113.04303	2.2
114.81065	1.7
116.92935	2.7
117.03505	2.3
119.05042	4.2
120.01257	2.3
122.02595	1.5
124.04034	2.6
127.05127	3.5
127.08800	15.1
128.03555	100.0
133.02986	16.4
134.03735	2.0
135.04544	4.3
137.02451	17.4
138.02792	4.2
139.02948	2.9
143.35175	1.5
151.04108	1.9
152.03552	2.5
153.06758	6.1
163.11266	2.7
165.12975	1.8
168.03000	1.5
171.07776	86.1
175.04005	4.6
181.12317	1.7
185.11800	2.1
187.03949	1.8
191.14503	2.8
196.02545	12.7
197.02879	1.9
199.04152	2.5
201.01984	1.8
215.06784	15.5
217.05142	2.3
221.11919	3.1
227.03587	2.6
239.12843	2.1
245.19110	5.1
249.05499	2.6
271.02533	3.3
272.11020	3.2
289.18079	12.2
307.19275	11.4
308.19684	1.5
311.12787	2.5
313.32932	1.7
323.16870	6.1
329.13773	2.2
341.17947	34.2
342.18152	4.6
381.09921	9.6
421.16983	2.2
428.21335	12.9
495.20386	4.4
539.24091	2.7
557.18909	14.7
558.21332	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	557.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35064	2.6
59.01385	100.0
61.98830	4.8
63.32206	2.6
69.20488	16.0
71.01392	8.7
73.02973	13.1
83.01389	3.8
85.02952	4.3
89.02437	3.9
98.02477	6.6
101.02446	10.6
108.04554	4.4
111.08150	2.6
113.02454	3.8
119.05022	3.8
122.12508	2.9
124.04042	3.2
126.05675	3.1
133.02986	7.2
134.25371	2.6
152.03464	5.1
170.04546	3.0
187.89296	2.7
196.02542	11.5
197.02840	6.4
212.08607	3.3
249.18686	4.4
289.05362	3.9
291.19577	2.9
308.42349	3.0
341.17981	5.9
342.18259	10.4
450.86105	2.9
461.27597	2.7
495.25922	6.1
513.27216	74.3
514.26807	4.9
557.20667	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41530	2.2
52.36412	1.9
55.20190	2.0
57.53067	1.9
59.01387	100.0
60.49550	1.9
61.98828	4.6
69.17140	5.6
69.17559	7.8
71.01382	8.1
72.97478	2.0
73.02952	15.6
80.61578	2.1
82.02982	3.5
83.01395	2.4
89.02445	3.5
93.03451	1.9
98.02488	8.7
101.02461	10.3
107.25780	2.5
108.04543	5.2
109.02930	3.3
111.08162	2.7
113.02470	3.8
119.05070	3.2
123.37198	2.1
124.04072	3.5
133.02922	4.5
135.04564	3.0
140.37819	2.2
144.52470	2.1
149.87639	1.9
152.03551	4.5
168.03041	2.2
170.04549	3.1
175.04134	2.7
185.11655	2.3
196.02505	13.1
197.02895	4.4
214.03514	2.8
242.92024	2.0
249.18628	4.4
291.19754	2.3
341.17938	6.3
342.18265	9.5
457.89371	2.2
471.26031	4.6
495.26392	4.0
513.27100	72.7
514.27307	4.3
545.75000	2.1
557.21002	9.8
557.29694	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	557.2965
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
55.01859	0.6
57.03436	0.9
57.61698	0.4
59.01383	42.1
61.98816	1.0
66.74172	0.4
66.93833	0.3
69.03422	0.4
71.01024	0.7
71.01389	10.2
71.41745	0.4
72.99319	0.7
73.02950	6.7
75.00867	1.0
75.28027	0.3
83.01411	2.3
85.02957	4.0
85.06590	0.8
86.00076	0.6
87.00886	2.8
89.02457	2.9
95.01408	1.2
96.95992	0.3
97.02944	0.5
99.00878	1.2
101.01801	0.6
101.02452	9.1
101.80154	0.4
113.02450	4.7
116.47983	0.4
119.03504	1.4
121.06601	0.8
124.01654	0.5
125.02438	0.9
143.03543	0.7
147.08124	0.5
155.14513	0.4
161.04561	1.2
189.12833	0.6
228.56894	0.4
284.03296	0.8
301.03564	0.6
319.19031	0.5
335.22205	1.8
353.23312	2.5
381.19269	0.4
497.27667	5.9
515.28644	14.1
516.28601	0.8
539.21680	2.2
557.29669	100.0
558.30078	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	557.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58031	0.5
61.98835	100.0
63.70442	0.4
71.44165	0.4
72.33737	0.5
78.95949	0.5
85.10706	0.5
108.20654	0.4
110.88493	0.4
123.42329	0.5
211.68813	0.4
215.60776	0.4
255.23314	1.6
256.23727	0.6
325.18338	0.6
355.83347	0.5
360.58081	0.6
386.71243	0.5
449.62146	0.6
480.30960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33861	13.2
69.14522	100.0
72.23032	13.4
75.61348	15.2
87.45930	15.4
102.09215	14.0
112.90307	14.9
122.47742	15.8
137.30521	15.7
179.51990	17.1
289.76526	15.7
296.19531	17.7
406.29312	17.2
454.85931	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	557.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24100	7.4
79.95737	23.4
85.00211	6.7
96.96020	100.0
99.92599	33.5
111.49329	6.9
168.61716	7.8
200.85896	33.3
206.77701	7.1
295.90079	7.5
310.65417	7.0
557.33820	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79064	2.5
65.00308	2.3
65.99847	5.1
69.67125	4.6
69.67486	8.0
75.00879	85.4
92.58926	2.2
95.01382	4.0
98.21970	3.3
100.57336	2.2
103.00377	87.1
107.00093	2.5
110.10968	2.2
119.00125	3.1
120.00890	4.5
126.76831	2.5
132.04521	7.9
134.99634	3.7
136.00420	7.3
139.96941	2.4
143.03423	2.7
145.02986	14.2
148.04066	3.5
152.54420	2.5
155.00101	2.9
159.04533	4.3
160.04004	2.9
161.01286	2.5
162.99117	4.0
163.00414	3.6
163.99937	8.6
164.03551	2.8
171.04507	5.1
175.99886	4.3
176.03525	9.9
189.00749	2.5
190.01411	3.9
190.98615	31.2
191.99348	3.6
203.99390	3.0
204.03046	8.8
218.00952	5.8
224.07195	3.0
225.05630	3.3
232.02319	3.4
232.23488	3.0
240.06720	6.1
242.08185	15.4
255.06689	4.0
267.05301	6.6
268.06158	18.0
270.07733	21.8
280.06339	3.9
280.09647	3.7
293.07227	2.8
294.04193	5.0
294.07965	2.6
295.04877	43.7
296.05698	47.9
296.09116	7.2
306.07199	2.8
308.09299	59.1
323.86511	2.5
336.08752	9.7
352.08286	57.4
356.07523	3.4
380.07800	51.9
381.08237	3.3
392.07538	4.3
412.10767	6.2
454.13092	18.6
498.11987	100.0
499.12366	4.8
526.11560	35.4
540.12860	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	558.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.7
65.00327	5.5
65.99857	5.6
67.01884	3.2
69.40826	12.1
79.90969	2.2
82.03018	2.8
83.01393	15.5
93.03466	2.6
94.03013	5.5
95.01409	24.8
106.02987	7.4
109.51110	2.9
110.02465	3.0
111.00895	3.1
119.05038	6.5
120.04565	2.9
124.01659	2.9
124.04062	4.7
126.01927	2.8
130.03014	3.6
131.04988	3.0
134.02519	3.3
135.03258	3.9
136.00380	2.5
136.03993	2.2
136.98853	4.4
137.02460	100.0
137.03526	4.8
138.14183	2.4
145.06683	3.6
146.02516	3.7
148.04062	16.6
148.63350	2.2
150.01942	15.5
151.02769	4.1
154.05040	2.4
160.04028	10.8
161.02411	3.2
164.03528	2.6
164.98280	7.1
166.01430	3.5
171.04517	10.0
172.04025	8.1
174.01976	10.2
175.99913	3.7
187.02634	2.7
187.07693	3.1
188.03485	10.2
188.04955	2.4
192.03027	25.7
216.02956	28.0
218.04645	2.7
220.06004	2.5
224.07199	4.2
225.05544	6.7
229.03644	3.1
236.07170	6.8
238.05069	3.1
242.04826	3.8
242.08165	19.0
243.06607	50.4
244.06886	3.7
250.08656	5.3
268.06079	4.2
269.04590	7.7
270.05130	3.0
270.07724	45.7
271.05899	4.6
273.90222	2.3
276.06805	3.5
277.07358	2.5
278.08276	41.8
280.06198	15.8
292.10013	2.5
294.07770	2.7
295.98520	2.7
296.05753	9.5
298.07401	4.1
320.09286	93.7
322.07199	11.4
346.56143	2.6
348.08914	2.9
350.07239	2.5
352.08188	3.6
354.09543	2.8
364.08292	23.0
366.06155	2.7
368.08096	2.3
378.05820	3.1
392.07828	89.1
393.07825	3.8
408.12555	4.8
420.07217	8.6
436.11429	3.8
452.10477	5.8
470.12677	13.1
480.10834	3.2
498.11993	52.8
499.12320	5.8
514.14429	2.7
526.11554	58.4
527.11743	4.4
558.13745	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	558.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	1.3
64.01913	4.0
65.00320	1.5
65.99854	36.2
69.72697	3.2
73.02945	1.5
73.31294	1.0
85.86808	1.0
89.99859	1.6
95.01399	4.5
96.07458	1.0
107.78911	1.0
108.00908	5.5
110.02486	1.4
119.00146	3.8
119.01422	1.0
119.03742	0.9
120.00977	4.8
123.00925	3.4
130.02942	1.6
132.00932	4.1
133.01759	3.5
134.02467	2.5
135.03326	1.1
136.00414	3.1
146.02486	2.5
148.00418	2.7
149.01143	1.8
150.01999	2.3
155.03519	2.3
158.02492	3.4
161.01144	1.8
162.01950	3.2
163.99908	4.0
171.04556	4.4
174.01973	4.2
174.99092	2.6
175.99896	44.9
177.00572	1.8
189.00702	5.7
190.01483	2.1
191.99455	2.8
202.01509	8.3
203.02238	1.3
203.99419	3.7
208.07709	1.3
218.01039	5.0
224.07237	1.2
230.00964	3.4
238.05040	4.8
240.06686	2.7
242.08218	6.2
246.00464	18.0
247.01245	3.1
252.06679	5.1
265.60266	1.0
268.06146	11.2
270.07712	10.0
272.99432	1.0
273.99966	31.2
278.08228	3.6
279.05234	2.6
280.06180	71.6
281.06680	1.5
282.07770	2.9
293.06927	3.5
294.07831	6.8
296.02576	2.1
296.05679	28.1
306.07764	4.1
308.05566	3.3
308.09283	8.0
310.07092	1.4
322.07245	16.5
324.08630	2.4
334.03690	1.1
334.07291	6.5
336.08798	1.3
350.06656	8.7
351.07559	11.0
352.08295	25.8
367.56616	1.0
378.06201	100.0
379.06732	3.0
558.14020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
65.00328	2.6
65.99851	0.6
68.99812	0.8
69.53419	0.9
69.53800	1.5
82.00586	0.6
83.01408	0.6
84.85523	0.4
85.02959	0.7
95.00842	0.5
95.01384	2.4
96.99319	0.8
99.59848	0.4
108.02174	1.6
109.02975	0.6
110.00105	5.7
111.00895	5.5
122.02482	4.6
123.00898	1.6
123.02826	0.9
124.01680	10.2
125.02053	0.5
136.01694	2.1
136.98807	4.1
137.99551	1.4
138.02000	0.6
139.00400	8.0
139.69673	0.5
140.00731	0.8
148.04027	0.5
150.01988	1.5
152.01169	7.3
153.01620	0.6
156.00652	0.8
157.06590	1.2
164.98314	0.5
165.05569	2.9
165.06949	0.9
165.99052	2.8
166.99864	4.5
169.00395	0.5
171.04564	0.7
171.08179	1.3
173.06070	2.7
173.99542	0.4
174.06471	0.6
175.00464	0.6
175.99879	0.6
180.00772	0.5
181.06598	1.1
185.06075	2.0
191.88522	0.5
192.02966	0.5
193.01427	1.1
197.06113	0.7
199.07695	1.2
201.05566	1.2
202.99939	2.2
209.06111	0.7
213.05573	0.7
225.05586	5.0
226.05925	0.8
227.07127	1.7
229.05046	0.9
230.05550	0.5
242.05750	0.5
242.08237	1.7
243.06641	33.1
244.06931	4.6
245.07285	3.1
246.07474	1.5
253.05074	5.5
255.05917	0.8
268.06256	0.9
269.04507	0.9
270.05334	7.6
270.07813	2.6
271.06140	100.0
272.06473	16.3
273.06738	11.0
274.06940	6.4
280.06107	1.5
287.05627	0.7
296.05893	0.7
296.09225	2.1
307.06042	3.3
335.05679	1.2
364.08389	1.2
366.10046	0.5
367.08240	2.0
392.07764	7.1
403.70148	0.4
411.07236	0.5
558.13831	2.9
558.21869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.6
59.16874	1.1
61.47691	1.5
61.98838	11.5
65.21119	1.3
65.46800	1.2
69.06858	10.1
71.51670	1.1
78.03500	1.5
82.98759	1.1
84.95134	1.4
92.41956	1.2
96.96027	1.6
98.02489	2.0
104.61286	1.1
104.72757	1.1
107.86904	1.5
109.02905	1.2
112.92512	1.3
119.05059	3.9
122.02493	100.0
133.02979	3.9
134.03246	1.3
135.04539	2.5
135.58089	1.1
143.96613	1.2
175.04250	1.2
179.78523	1.2
181.60458	1.3
184.05933	1.2
196.02530	2.4
212.72191	1.2
240.54887	1.2
250.19099	1.1
271.02499	1.4
348.08044	1.2
373.62848	1.2
435.19559	1.3
558.20514	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	558.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53413	0.2
59.01386	1.8
61.01831	0.2
61.98836	100.0
62.98549	0.3
65.00331	0.4
71.01414	0.5
73.02959	0.3
93.03476	0.3
96.96006	0.6
98.21896	0.6
101.02491	0.3
113.02470	0.4
119.05061	0.3
123.04562	0.3
125.02468	0.3
137.02451	0.3
151.00429	0.8
191.62177	0.2
241.05107	0.4
283.87509	0.2
285.04025	0.3
335.09421	0.3
353.06735	0.7
498.26913	1.4
559.14709	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	558.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
65.99844	1.0
69.95783	1.3
74.55702	0.5
78.95913	10.8
95.01380	1.2
96.96027	0.8
98.21966	0.5
109.83614	0.5
135.91389	0.5
140.01204	2.8
152.99611	1.7
163.99876	0.7
175.99895	0.6
191.99466	0.6
196.03889	3.3
214.04878	2.6
226.05225	0.5
241.05037	0.5
242.07976	0.9
268.06339	0.8
270.07849	1.3
279.23312	100.0
280.06180	1.4
280.23618	5.2
295.98309	0.7
296.05627	4.8
306.04053	0.6
320.09344	0.6
334.03549	0.5
367.06918	0.8
378.06216	0.8
438.09937	1.5
442.59796	0.5
476.27838	23.6
477.28229	2.0
498.24951	0.7
558.27411	1.6
559.31964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51539	1.6
59.01397	4.5
61.98850	4.3
70.90495	3.8
74.41589	2.0
78.95929	2.3
98.21928	2.5
101.02453	2.2
124.20662	1.8
156.98041	1.8
204.28485	2.0
208.50520	2.1
222.71184	2.0
249.04005	2.2
253.09361	14.3
274.95157	2.3
279.23315	100.0
280.23694	4.0
281.24927	8.2
296.05685	4.4
296.93106	2.2
506.32617	6.3
527.18359	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67526	1.5
59.01390	3.5
61.98829	10.0
63.22301	1.6
70.48753	2.0
70.49084	1.6
78.95911	4.7
80.17861	1.6
99.14592	1.5
101.02417	2.1
123.35915	1.6
127.43564	1.6
147.14146	1.5
208.29752	1.4
235.08304	1.7
240.37735	1.5
242.08080	2.0
253.09325	14.5
279.23312	100.0
280.23648	4.8
281.24884	92.4
282.25217	9.2
283.25473	5.9
289.02844	1.8
323.64435	1.7
325.20544	1.5
438.07309	1.8
485.74222	1.8
506.32581	27.6
508.33035	3.2
559.23132	4.3
570.74951	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	559.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
68.99829	0.8
71.01373	1.0
72.99303	2.3
83.01411	0.8
84.93880	5.3
86.00070	0.7
96.96017	13.8
98.21818	1.7
98.95595	10.9
98.96438	2.3
99.00871	1.4
99.92597	39.1
100.92692	1.3
100.93372	38.7
101.93382	0.8
102.65949	0.8
110.95429	0.7
111.00883	2.1
114.94991	0.9
115.91237	0.9
115.92090	48.4
116.92873	100.0
117.92899	2.0
122.95486	1.3
124.93382	3.0
126.94960	2.7
127.00396	1.3
128.92877	2.0
129.01907	0.6
130.26888	0.6
141.93634	0.8
142.94441	12.6
145.35388	0.6
150.94930	0.6
154.94417	1.4
156.92372	1.0
158.93930	3.6
163.00314	0.9
166.94444	2.8
167.21584	0.6
169.93192	2.0
170.93939	7.2
184.74110	0.7
184.95483	2.7
186.93419	1.8
194.93925	2.7
198.93422	2.6
212.95013	3.8
230.96046	2.7
242.04181	0.7
256.93991	10.9
257.94757	0.7
268.03778	4.7
274.95026	11.2
283.06244	1.9
555.88892	0.7
559.02014	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	559.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90446	0.3
59.01384	25.0
60.01716	0.6
63.02437	0.3
69.03454	0.4
70.48948	0.4
70.49278	0.4
71.01389	3.7
73.02946	1.1
79.95741	2.6
80.96524	0.5
83.01402	0.7
85.02956	2.2
87.00861	0.6
89.02438	0.8
94.25074	0.3
95.01415	0.6
96.96018	100.0
97.06580	0.4
99.00890	0.6
101.02444	2.7
108.02193	0.6
113.02449	2.3
119.05037	1.7
121.06615	0.9
122.06932	0.5
133.02960	0.4
136.98798	0.3
143.03481	0.7
147.08165	0.6
148.08531	0.4
151.00424	0.3
152.01202	0.6
159.03046	0.3
161.04585	1.9
164.98312	0.6
225.00720	0.3
263.05569	0.4
285.04065	12.0
286.04471	0.4
299.20261	0.3
317.21094	0.5
318.21561	1.0
336.22729	0.6
337.23804	1.1
340.99731	2.0
355.98547	0.3
383.00925	0.6
383.11331	2.5
461.07318	5.0
462.08078	0.7
481.28259	0.6
498.27780	0.5
499.01968	0.5
499.29114	3.4
516.28882	0.6
517.30139	1.1
540.98651	0.4
559.03943	1.0
559.22742	1.0
559.31287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43435	0.2
59.01373	0.5
59.65899	0.2
61.98830	0.9
64.26152	0.2
78.63718	0.2
79.95744	2.9
80.07085	0.2
85.02961	0.4
95.01392	0.2
96.96021	100.0
114.93420	0.6
133.02972	0.3
213.05643	0.7
223.78363	0.2
285.04050	7.7
335.09030	0.3
340.99969	1.4
383.01056	0.5
395.00949	0.5
457.68433	0.3
461.07324	4.0
462.07584	0.3
499.01813	1.3
559.03839	0.4
559.14258	0.5
559.22083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14924	0.1
59.01384	0.3
69.18223	0.8
79.95747	2.9
81.84967	0.2
85.02945	0.2
94.98084	0.4
96.96021	100.0
97.22673	0.1
97.95975	0.3
113.02487	0.3
119.05029	0.2
133.02957	0.2
151.00302	0.2
175.02515	0.2
285.04077	6.3
286.04626	0.4
340.99924	0.2
352.63882	0.2
383.11633	0.4
407.61597	0.2
461.07291	2.1
559.21307	0.3
574.40869	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05500	0.2
56.06034	0.2
59.01386	0.5
61.98814	0.6
69.58659	0.2
71.01389	0.3
79.95738	3.7
82.26257	0.2
85.02940	0.2
92.37370	0.2
96.96017	100.0
98.95584	0.3
113.02457	0.5
113.64748	0.2
116.92925	0.2
135.04495	0.2
136.38188	0.2
140.15604	0.2
151.00383	0.5
160.21922	0.2
166.99883	0.2
175.02466	0.4
177.01976	0.3
193.03551	0.2
202.78986	0.2
216.30981	0.2
236.97885	0.4
254.98119	0.4
285.04077	1.7
297.57541	0.2
299.01904	0.3
301.03604	0.4
307.45346	0.2
340.99713	0.9
367.67810	0.2
371.09570	0.2
383.00656	0.4
395.00836	0.3
405.41611	0.2
437.01895	0.3
461.07306	0.5
499.02209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47289	0.2
57.32649	0.2
58.97100	0.2
59.01375	0.6
61.23027	0.2
69.57492	0.6
71.01377	0.3
74.64622	0.2
79.95741	3.1
84.56403	0.2
89.02411	0.2
93.03462	0.2
93.82259	0.2
95.01385	0.2
96.96017	100.0
97.95992	0.2
111.00835	0.4
113.02470	0.3
114.93364	0.3
137.02486	0.6
138.02762	0.2
139.00359	0.6
145.02942	0.2
147.84123	0.2
150.05469	0.2
151.00395	0.3
167.03532	0.2
173.02438	1.2
175.04063	0.2
189.01944	1.6
235.29156	0.2
246.07008	0.2
247.07611	0.6
285.04071	8.1
286.04608	0.2
291.06647	2.3
301.05182	0.8
319.06140	3.5
340.99863	0.7
345.66629	0.2
383.00793	0.5
395.00851	0.3
439.10327	5.4
457.45657	0.2
461.07181	2.6
465.87674	0.2
499.01923	1.0
509.02377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
57.91252	0.7
59.01372	2.4
59.19100	1.0
65.00333	2.8
68.99817	1.5
69.07785	2.5
69.08202	3.5
70.35597	0.7
81.03463	2.1
83.01397	1.7
86.49068	0.7
88.96423	0.9
88.98804	2.3
92.99889	0.7
95.01393	4.8
96.96019	2.1
96.99368	1.6
111.00927	5.7
111.36281	0.8
115.92122	0.8
117.03435	2.1
119.01374	1.0
119.04987	0.8
123.00881	1.4
125.02457	1.3
131.05034	1.0
133.02989	2.0
136.98793	3.2
137.02458	2.4
139.00388	6.4
145.02956	3.7
145.06624	1.0
147.00888	0.8
149.02420	3.1
153.01923	0.9
157.06590	0.8
160.69713	0.8
161.02414	2.2
161.99583	1.2
163.00333	2.0
164.98323	6.7
165.01849	1.9
165.05553	1.9
171.04546	2.9
173.06111	1.0
177.01941	1.1
187.00365	1.3
189.01894	2.0
190.99898	1.3
192.03027	1.4
193.01424	3.0
213.05678	1.2
217.01407	1.9
217.98604	1.3
218.99347	6.6
221.00941	3.3
229.05139	1.7
239.03427	1.1
241.05116	2.3
242.08301	1.0
243.06557	1.4
245.00990	1.5
253.05115	1.9
267.03012	3.6
267.06000	1.2
269.04535	6.6
269.07333	1.0
269.08365	0.9
270.07718	2.6
271.06076	5.7
277.08475	1.5
287.05475	1.1
288.99933	16.5
293.08200	2.4
294.07733	1.8
295.06119	2.5
296.05719	1.8
297.07663	2.3
303.06628	2.1
307.06177	1.0
320.09253	1.6
321.07599	8.8
322.07574	1.0
323.05481	5.1
330.50305	0.9
365.06741	3.5
366.06216	3.5
367.08234	6.6
375.04926	1.4
384.76761	0.9
392.08020	1.2
393.06177	100.0
394.06210	5.6
411.05688	1.3
495.99100	1.0
499.12112	2.3
527.11737	1.7
559.14740	1.9
584.39063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28752	0.7
57.40830	0.8
57.82951	0.8
59.01393	1.2
69.03476	1.0
70.98643	0.7
72.99371	0.8
87.75143	0.7
88.04037	0.8
89.00667	1.6
89.02439	1.0
95.01393	1.5
95.71557	0.9
97.02973	2.4
104.89150	0.7
105.93827	0.7
119.05038	1.0
120.02157	1.1
121.02948	4.7
135.00909	6.1
137.02455	17.0
138.44275	0.6
162.99150	0.9
163.00391	5.2
164.01169	10.7
165.01952	44.9
190.99884	19.4
192.00676	16.8
193.01436	100.0
194.01910	1.2
207.02979	1.6
235.02524	0.8
354.05969	2.6
355.06696	3.9
369.44672	0.9
397.07782	56.9
398.08322	2.0
541.26099	0.9
559.13141	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	559.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96457	0.3
59.01390	1.0
69.05128	1.9
71.01389	1.2
76.37763	0.3
78.95912	18.5
79.95739	3.0
83.85395	0.3
84.41447	0.3
85.02968	1.4
85.23468	0.3
89.02467	0.5
90.67393	0.3
92.58530	0.2
95.01379	0.7
96.96023	100.0
96.96947	24.6
97.95984	0.3
98.03103	0.3
98.21897	0.7
98.95610	0.5
99.02778	0.3
113.02458	3.3
135.04517	1.8
141.01993	0.5
161.04576	0.3
179.00209	0.4
209.01324	2.8
233.01155	0.3
251.02380	2.3
263.02451	0.3
335.04663	0.6
353.05560	3.0
461.16702	12.3
499.11438	10.7
500.11948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03579	0.3
59.01369	1.2
67.59809	0.3
71.01386	1.4
78.95910	19.3
79.31264	0.3
79.68032	0.3
79.95737	2.8
85.02968	1.4
89.02449	0.4
89.28957	0.4
95.01429	0.6
96.36692	0.3
96.96021	100.0
96.96946	26.7
98.22721	0.6
103.95094	0.4
113.02451	3.3
135.04521	2.1
155.18655	0.3
209.01320	3.3
235.02879	0.3
250.01756	0.4
251.02437	2.5
305.03510	0.4
315.11026	0.4
335.04608	0.6
353.05554	2.5
395.06616	0.6
461.16650	12.5
462.16846	0.9
499.11407	10.9
500.11691	0.7
543.90503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01394	4.3
65.00323	2.0
68.99811	1.2
71.01398	2.7
72.99319	0.7
75.00891	0.7
78.10397	0.5
82.00629	1.1
83.01389	1.6
85.02960	2.9
91.01886	1.0
93.03482	2.1
95.01403	1.4
96.96018	0.8
98.21803	1.2
99.00893	2.5
99.92559	0.6
101.02415	1.2
108.02204	1.1
109.02966	1.8
110.00109	8.4
111.00868	1.7
112.68146	0.6
113.02453	3.3
116.92874	3.5
117.03448	1.3
117.92885	0.7
119.05050	20.7
121.06596	1.1
123.00863	0.7
123.04535	1.1
124.01653	1.9
133.02969	1.0
133.06586	0.6
135.04550	1.4
135.08231	0.6
136.98851	2.4
137.06093	0.9
137.99620	2.9
139.00380	3.0
141.01903	0.9
143.05035	1.1
145.02921	1.3
145.06612	0.7
147.04529	0.5
147.08234	0.8
149.06102	1.6
150.03221	0.8
151.07695	1.3
152.01208	2.4
153.01953	3.0
157.06700	0.6
159.02946	1.0
161.02519	0.8
161.06073	1.0
161.62476	0.4
163.00380	1.2
163.03993	0.8
163.07689	1.3
164.04845	1.4
164.98318	5.8
165.05417	0.5
165.99101	10.2
166.02760	2.1
166.99904	3.5
167.03537	4.7
172.49287	0.5
173.06096	1.7
175.02509	0.6
175.03996	0.6
177.01970	1.0
178.99797	0.6
179.07152	0.8
180.00703	3.0
185.06090	0.5
187.04074	0.8
189.05568	3.1
191.03468	1.6
191.07190	0.9
195.06622	2.6
199.04094	0.7
201.05627	1.4
205.01453	0.7
205.05058	0.8
205.98521	1.1
207.06647	1.9
217.05136	0.8
218.05688	0.6
219.02965	2.5
219.06642	1.0
220.03807	0.8
221.08118	0.7
229.05106	1.0
231.06642	0.8
233.04593	0.5
234.01743	0.8
235.06096	1.2
237.07626	0.9
245.04568	2.6
248.03491	0.7
249.07716	3.2
257.04663	0.5
259.05978	0.8
263.05576	2.5
277.07306	3.3
285.04135	6.3
286.04849	17.4
287.05069	0.8
289.07114	1.2
297.07513	0.5
311.05695	0.9
337.10785	0.8
354.07648	1.2
355.11819	3.5
365.10239	3.2
383.11401	100.0
384.11661	4.7
462.08020	1.8
470.56378	0.6
541.20697	0.9
559.14539	4.3
559.21948	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	559.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.4
58.00613	1.3
59.01385	100.0
69.03458	1.5
71.01390	49.7
71.43905	1.6
72.99301	1.4
73.02960	6.8
81.03451	2.6
83.01396	3.8
83.05043	1.6
84.58199	1.7
85.02959	30.6
87.00903	10.7
87.01364	2.2
89.02457	35.0
95.01387	10.2
97.02969	2.0
99.00876	3.0
99.04530	3.8
101.02440	21.3
109.02946	13.5
110.00108	3.2
113.02460	54.2
119.03525	15.9
119.05013	1.6
119.64089	1.5
123.04566	3.1
125.02467	3.1
125.24329	1.4
126.03259	2.5
127.04043	8.2
133.02989	4.7
134.03772	14.6
135.04492	3.9
137.02409	1.8
137.06064	2.0
139.00421	1.8
141.01932	1.6
143.03529	5.3
149.06070	12.1
152.04799	3.5
161.04520	6.1
162.25946	1.3
164.98198	1.8
165.99042	3.5
166.99828	2.2
167.07144	6.0
179.05644	3.4
187.07719	2.3
201.09090	1.8
224.64745	1.6
263.12781	1.9
286.04678	3.4
311.11362	18.2
329.12448	32.6
330.12759	1.5
371.13419	5.6
378.07443	1.8
396.08615	2.4
397.09283	4.7
421.15207	7.9
439.16122	5.8
457.17291	16.7
462.08322	2.4
475.18182	40.1
476.18732	2.0
517.19250	25.3
559.14441	12.7
559.21954	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	559.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43833	1.6
54.94090	1.7
57.03473	2.2
59.01382	8.9
60.08036	1.8
61.98826	9.6
63.91081	1.6
68.10087	1.6
68.13941	1.6
69.82399	1.5
70.08431	5.1
73.02949	3.7
78.95898	2.2
85.02914	2.4
87.04541	10.5
94.73145	1.7
97.06604	2.3
99.04440	2.0
101.06092	62.0
113.06100	39.0
115.04025	100.0
115.07659	64.0
118.58675	1.7
119.05067	2.8
119.08686	9.2
125.02490	4.7
125.06098	1.7
129.05630	2.0
135.04544	4.6
143.06148	1.3
143.07150	37.4
153.05598	1.9
163.07663	31.3
163.11401	1.8
171.06648	15.0
179.61127	1.9
229.15971	4.7
255.13972	8.3
273.14984	98.5
274.15311	5.0
310.64896	1.7
326.31998	2.0
370.51547	2.2
445.22296	33.5
446.23004	2.9
559.23425	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	559.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
55.17227	0.5
57.03456	1.7
58.00619	0.8
59.01386	31.6
61.98839	1.6
63.96378	0.5
64.61418	0.5
65.00352	0.5
67.31267	0.5
69.03445	0.5
69.19258	2.8
71.01392	17.3
71.05032	2.2
71.48617	0.5
72.99319	0.6
73.02955	9.3
75.00886	1.7
75.63083	0.5
75.90809	0.6
80.91656	0.6
80.96523	2.0
82.95428	1.5
83.01391	1.9
83.05051	1.5
85.02962	8.4
87.00891	1.0
87.04540	1.0
89.02456	8.9
94.98106	0.8
95.01402	2.1
96.96029	1.3
97.06635	0.7
99.00896	1.6
99.04488	0.7
101.02464	13.0
113.02489	7.1
114.05647	1.3
117.03481	0.7
117.87343	0.5
119.03530	2.2
119.05042	10.8
121.06620	0.9
124.01676	2.4
125.02454	0.7
125.06118	0.5
125.09730	5.3
133.02988	1.5
133.08904	0.6
135.04567	0.9
135.08165	1.7
136.98805	0.6
143.03529	0.7
147.08212	0.6
149.06087	0.5
151.07672	1.5
161.04610	0.7
161.09787	0.8
163.07671	0.9
164.98381	1.6
165.99081	0.8
167.03473	0.9
175.02513	0.6
181.26256	0.6
187.11316	0.6
189.12910	0.9
191.07100	0.6
203.03563	0.7
205.12349	2.0
207.13882	3.2
215.14433	0.8
217.12276	1.3
217.15915	0.7
233.15535	0.9
234.12770	0.6
235.13403	2.1
235.17090	1.4
238.07883	0.5
253.09558	0.6
261.18619	1.9
263.05621	1.7
268.11475	0.6
271.17154	0.7
273.18658	0.6
280.08414	0.8
281.09052	1.0
285.04068	1.4
286.04953	1.1
289.18143	5.7
291.19815	1.2
295.10825	1.6
296.11249	2.2
307.19284	1.3
309.20737	35.3
310.21201	1.5
317.17535	0.7
327.13431	1.3
328.13858	2.3
329.06924	2.5
335.18741	1.5
346.31812	0.5
353.19662	1.9
369.10028	0.7
371.12509	1.0
372.12814	1.6
383.11377	18.1
384.04446	0.6
384.11725	1.2
399.01828	0.6
410.96991	0.6
412.63980	0.5
419.97031	0.6
471.26120	1.5
471.87424	0.6
497.23938	4.9
499.29239	0.9
515.24969	10.1
516.25763	0.7
527.18781	1.0
541.22882	9.2
559.24042	100.0
560.24426	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	559.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16673	0.1
59.01382	0.3
61.98828	0.3
69.76619	0.2
69.76971	0.3
69.90711	0.1
71.01366	0.1
71.32709	0.1
78.03488	1.8
78.95967	0.1
85.41287	0.1
91.61554	0.1
97.06611	0.4
101.02472	0.1
101.06072	0.2
115.04012	0.5
122.02499	100.0
123.00877	0.2
123.02181	0.1
123.02863	1.3
131.58340	0.1
136.04048	0.9
144.04451	0.1
150.05656	0.4
158.85109	0.1
163.35616	0.1
170.06129	0.4
172.07739	0.3
186.05606	0.2
199.40140	0.1
201.21521	0.1
203.14441	0.4
214.05098	1.4
221.15430	0.2
273.15048	0.3
311.25903	0.3
374.21759	0.1
436.21246	1.5
472.32108	0.1
559.24677	5.6
559.34790	0.7
560.24902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83455	5.6
59.01389	100.0
61.98835	33.8
66.11236	6.3
71.01398	11.3
71.40556	7.3
78.95914	9.7
88.98823	7.1
96.45126	5.9
96.96054	14.0
99.00908	8.5
101.02476	7.2
103.01514	10.1
115.92132	6.2
116.92878	19.4
117.03461	15.3
119.05046	17.8
122.02537	7.5
135.04564	19.4
145.02992	6.7
156.56783	6.6
187.07664	14.9
197.02768	11.9
202.06374	7.4
207.10321	9.0
209.11896	27.4
213.09239	23.9
222.62682	6.3
225.11366	17.9
245.11841	20.9
263.12912	16.3
274.42413	6.2
277.14441	26.5
323.22519	6.5
344.19647	8.0
455.26611	18.4
473.27408	14.5
474.32571	6.5
515.28760	41.2
524.57837	6.9
527.19733	9.4
527.28809	27.1
532.44775	6.4
559.26447	24.8
577.47986	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	559.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99583	3.0
69.70834	7.0
78.95911	26.0
82.31410	2.3
85.94846	2.9
95.44868	2.5
98.21991	2.7
139.67194	2.9
152.99611	5.5
168.04391	3.3
173.40636	2.9
224.06978	9.9
277.21738	100.0
279.85623	2.7
502.29419	75.7
503.30005	3.3
535.46674	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	559.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
69.11111	3.8
70.14144	0.6
70.54314	0.6
77.10984	0.7
78.95917	6.2
96.96021	1.5
105.85007	0.8
116.05160	0.6
129.64600	0.8
133.89505	0.8
152.99567	3.6
168.04318	1.7
224.06900	1.2
242.08136	3.7
270.07779	2.2
277.21744	100.0
278.22101	4.3
280.06085	0.8
296.05585	1.1
297.05936	0.8
322.07690	0.6
374.86356	0.6
479.21078	0.7
483.12888	1.4
488.11139	1.9
497.14783	1.0
502.29437	37.0
503.29822	2.3
559.14856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46281	2.7
57.19584	2.8
59.01388	2.9
64.29070	2.7
79.40012	2.9
89.97935	2.7
97.78833	2.5
98.49310	3.0
106.20236	2.6
107.27608	2.6
110.56268	2.4
116.79918	2.9
136.98848	5.6
145.09639	2.6
150.36644	3.1
154.10187	2.3
164.98274	7.9
191.22818	2.9
211.04002	3.5
216.75084	2.4
255.03044	8.3
269.04547	8.4
273.41754	2.7
283.02484	53.0
298.04825	33.9
299.05060	3.3
313.07181	100.0
314.07626	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	560.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	29.7
65.00312	9.6
65.99852	36.4
69.76851	14.1
69.77238	18.6
81.07777	6.4
93.36821	7.0
98.21880	8.5
110.02491	7.9
117.03470	22.5
125.02385	10.3
131.05026	17.0
136.00360	9.3
139.00381	7.0
143.04984	6.7
148.49051	7.3
161.01205	9.0
161.06125	6.6
163.99954	8.2
164.98280	10.9
169.06583	7.8
171.04501	16.5
173.31604	6.9
175.99913	19.6
180.08209	11.8
185.06090	11.2
190.01457	10.7
192.08200	8.8
194.06204	7.0
196.07602	7.8
197.06190	7.7
208.07635	19.7
209.06102	9.2
210.05612	9.0
213.05484	12.9
222.05609	10.6
224.07111	15.7
225.05649	7.4
228.85114	7.6
236.07152	32.1
240.06558	12.2
242.08247	42.9
248.07185	21.7
252.06645	12.0
257.04532	15.6
264.06677	15.1
265.07492	8.9
266.08221	9.9
268.06018	45.5
269.04422	13.8
270.07730	100.0
280.06107	72.9
292.06161	11.1
293.06912	8.8
296.05704	84.7
320.05536	15.3
322.03461	19.1
324.05164	15.2
338.06699	10.2
340.04559	8.0
340.08301	25.7
350.11407	12.0
352.08740	13.0
352.13446	32.3
366.06107	10.9
368.12762	8.8
380.07968	17.7
380.12912	42.7
394.08490	19.7
396.12515	18.3
406.10959	11.2
422.09332	10.5
424.12000	97.5
468.10727	55.7
486.12103	93.6
528.12488	14.2
560.16040	11.6
566.28491	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	560.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86144	0.7
65.00338	1.2
65.99854	0.9
67.01882	0.8
69.23423	3.8
71.54443	0.7
73.02956	1.8
73.83411	0.7
83.01387	1.2
87.00891	1.6
95.01405	1.4
96.00918	1.0
98.02477	5.3
110.02488	3.7
115.04022	0.9
120.00939	1.2
122.02469	2.7
123.03298	5.9
133.06593	2.5
134.02495	5.4
135.03290	9.0
136.00410	5.8
138.01947	1.2
140.03566	3.9
147.04559	0.8
149.30759	0.6
150.06523	0.8
151.02779	6.7
153.39119	0.8
155.02206	1.1
157.06694	0.9
159.04427	1.0
161.06134	4.9
163.99904	2.3
166.01489	2.7
171.04570	1.4
173.06105	1.2
179.02356	0.9
189.05577	4.3
190.01437	1.5
192.02995	4.8
197.06166	0.8
200.07187	1.8
203.02267	0.9
203.07167	3.0
224.07309	1.1
225.05605	0.9
226.08772	3.2
227.07156	1.0
228.06648	2.1
229.08694	7.1
234.04124	1.1
242.08249	52.7
243.08644	2.1
252.06705	2.4
267.06607	1.0
268.06219	12.2
269.06720	0.8
270.07730	100.0
271.08078	3.0
291.08725	3.3
294.07730	6.4
296.05710	3.6
312.08804	94.2
313.08972	4.0
338.06769	2.8
380.07721	2.5
441.65152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31895	1.7
65.99854	3.5
66.03515	1.7
70.47459	3.6
71.66277	1.5
73.20838	2.4
75.00880	90.6
81.38261	1.5
100.22073	1.5
102.19089	1.6
103.00384	100.0
104.05083	1.7
107.00121	4.7
120.00933	1.9
132.04541	4.0
134.02477	2.5
134.99652	4.9
136.00362	4.7
162.99112	2.6
163.99814	2.6
171.04462	2.5
176.03464	6.5
190.98633	29.6
203.99309	2.5
204.02988	4.3
218.00824	2.3
232.02534	2.2
242.08173	1.7
266.04544	1.7
267.05450	5.7
268.06082	8.1
270.07663	9.5
280.06302	2.4
280.09589	2.6
294.04166	4.8
294.07706	2.7
295.01898	2.7
295.04926	35.7
296.05820	10.1
296.08722	2.6
308.06003	2.5
308.09338	31.1
336.09015	8.0
347.87329	1.9
350.10236	9.1
352.08301	2.4
380.07874	12.5
394.09363	82.4
395.09537	5.0
422.08871	23.3
456.14511	6.3
482.12415	2.2
500.13498	53.5
501.13651	2.5
514.06940	4.7
528.13037	32.0
532.59637	1.8
542.06384	6.5
560.07458	3.1
580.01715	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	560.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.3
61.98839	3.2
69.97074	7.4
71.01366	2.6
76.82748	2.1
78.92501	2.2
82.95466	2.5
88.98775	2.5
95.45666	2.1
96.96027	100.0
98.21870	2.4
197.55573	2.4
267.06616	3.1
279.06635	7.0
295.06223	8.9
306.09070	4.6
307.06158	12.7
310.08420	9.0
322.08490	10.1
325.10727	24.3
337.10849	42.8
355.61646	2.2
464.08765	3.1
501.03348	5.4
561.05243	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	560.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
61.98836	100.0
66.37010	0.2
69.69978	0.9
71.01377	0.5
72.50580	0.2
117.03496	0.2
117.28382	0.2
119.05044	0.4
119.61864	0.2
135.04573	0.4
136.98878	0.2
145.33167	0.2
173.66486	0.2
255.03104	0.2
470.12347	0.2
517.21063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87787	8.9
59.01367	11.0
60.99385	9.5
61.98838	16.1
72.04794	8.9
74.88914	8.0
98.81323	9.5
101.02463	9.9
198.09448	8.5
214.97127	10.4
243.31229	8.7
253.09340	28.7
277.21704	100.0
278.22092	70.5
279.23306	18.3
298.28223	9.6
473.54376	9.8
487.28802	10.0
554.00385	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	560.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10143	1.2
55.01881	2.0
57.03456	1.1
59.01385	12.3
61.98834	4.7
65.77586	1.2
71.01392	22.1
73.02946	8.1
83.01405	4.4
85.02955	13.2
87.00896	2.6
89.02461	4.2
95.01394	2.0
96.96036	3.7
98.44614	1.1
99.00890	3.9
100.59102	1.3
101.02451	20.5
109.06534	1.2
110.00159	1.5
111.00905	2.4
113.02464	14.3
117.03491	1.3
119.05009	5.3
120.05360	2.1
128.03534	1.4
151.04012	4.4
161.04578	9.0
164.98282	2.5
165.98936	1.7
167.23958	1.6
204.92305	2.3
286.04486	3.8
315.69290	1.4
319.22739	4.2
337.23987	5.9
355.24960	2.0
357.13510	1.8
361.16394	1.8
362.16971	2.4
382.93631	1.4
383.11630	1.4
384.11777	7.9
463.08371	2.3
481.28000	7.6
499.29202	13.8
500.29333	1.6
517.30206	100.0
518.30548	5.1
560.24475	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	560.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
71.01389	1.3
72.99323	0.7
78.92159	0.6
79.95741	3.0
81.95321	1.1
83.93063	0.7
84.93884	3.1
96.96019	100.0
97.95954	1.9
98.95602	51.3
98.96433	7.5
99.00935	0.7
99.92592	20.4
100.92683	1.0
100.93374	18.2
101.93426	0.9
111.00894	0.8
113.02460	0.8
115.92084	13.0
116.92871	26.8
124.93382	1.7
126.94937	2.6
128.92883	2.4
131.25270	0.7
142.94432	5.0
154.94460	1.4
156.92361	2.4
159.04739	0.7
169.93115	1.4
170.93933	4.5
182.93980	0.8
184.95436	1.8
196.95526	1.7
212.95068	1.2
220.20724	0.7
230.96158	1.0
240.94434	4.5
255.02968	1.7
256.93884	2.0
257.94696	6.4
258.95514	14.5
259.95706	1.0
273.80167	0.9
274.95081	2.0
281.80667	0.8
283.02512	1.1
285.03961	3.5
286.04663	1.0
287.04858	1.6
338.96039	2.3
366.95557	4.4
367.96341	1.5
368.97327	1.2
379.96350	2.9
384.96558	2.0
393.71567	0.7
450.67953	0.6
463.08005	2.1
481.99472	1.1
501.03708	2.6
529.92474	0.7
531.93414	0.7
542.98743	21.2
543.98798	2.5
560.99634	7.4
561.06415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89491	0.7
57.21387	0.7
59.01382	3.9
65.00314	0.8
67.60717	0.9
68.99816	0.7
69.28699	2.5
69.29104	1.4
71.01393	2.8
71.65516	0.8
72.99297	1.6
73.02950	1.2
73.79156	0.8
76.05554	0.7
78.90942	0.7
81.95340	0.9
84.93892	3.3
85.02977	1.1
89.02449	1.1
96.57908	0.8
96.96021	24.3
98.95605	21.6
98.96446	3.2
99.00851	0.8
99.92596	32.8
100.92709	1.5
100.93368	20.9
101.02442	0.8
111.00852	1.1
112.64163	0.8
112.98132	0.8
115.92085	17.1
116.92873	100.0
117.03459	1.5
117.92896	3.1
119.05064	1.0
121.02984	1.1
124.93372	2.1
126.94962	2.4
128.92847	2.4
129.01956	1.1
136.01678	6.4
141.93677	1.6
142.94450	7.3
151.04025	7.9
154.93275	0.8
154.94449	2.4
156.92351	1.0
158.93910	1.2
163.00377	2.6
167.95209	1.0
169.93123	1.2
170.93958	3.4
184.95514	1.6
186.93475	1.4
187.03888	1.4
194.93925	2.3
195.94687	1.2
198.93399	1.4
212.94989	2.2
255.03004	2.6
256.93991	8.7
257.94821	6.6
258.95514	2.2
274.95020	15.0
275.95554	1.7
283.02454	6.2
284.03348	6.0
285.04062	12.0
286.04483	1.2
287.04752	1.2
305.61310	0.9
338.96066	1.3
352.97919	1.9
355.04596	1.5
357.13483	7.0
366.95618	5.1
367.96161	2.6
368.97098	9.2
369.97754	1.6
381.09692	1.1
384.96585	18.8
385.96942	1.9
396.96561	1.8
422.97925	1.4
463.08069	1.7
480.98538	2.3
524.97797	2.7
536.57251	0.9
542.99042	1.5
560.22534	1.5
560.99713	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	561.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07933	0.3
55.27494	0.3
59.01377	0.4
61.66380	0.3
64.40100	0.3
69.73943	0.3
73.69879	0.3
79.95745	2.5
80.57969	0.3
85.55908	0.3
96.96021	100.0
98.95598	0.7
99.92609	0.6
100.93356	0.5
113.02486	0.4
115.92080	0.8
116.92184	0.3
116.92834	1.7
119.05006	0.5
138.46387	0.4
142.94489	0.4
153.01920	0.5
175.02451	0.3
180.61113	0.3
192.65231	0.3
214.83301	0.3
218.20204	0.4
278.37598	0.3
283.02466	0.4
287.05667	1.5
325.00290	0.4
338.09525	0.4
366.95203	0.4
463.08765	0.8
501.03766	1.0
517.30627	0.4
518.30505	0.4
575.49585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65175	0.3
57.90677	0.4
59.01387	0.4
65.77225	0.3
69.86005	1.2
69.86366	0.4
79.95745	3.2
85.02987	0.4
86.91257	0.4
96.96019	100.0
108.86279	0.4
111.00877	0.6
113.02477	0.6
114.13134	0.4
119.05037	0.6
119.18547	0.4
139.00401	1.2
153.01944	0.9
166.99910	1.1
236.92995	0.4
243.26601	0.4
262.01541	0.4
287.05606	2.7
298.17728	0.4
301.03534	0.8
303.03534	0.4
325.00116	0.8
343.01178	0.5
356.99463	0.4
380.97964	0.4
463.08942	1.2
501.03394	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	561.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01761	0.2
57.03437	0.3
59.01377	0.7
65.00344	0.3
71.01392	0.4
79.95750	3.2
82.95422	0.7
83.01378	0.2
83.96029	0.2
85.02947	0.3
94.82397	0.2
95.01377	0.2
96.96022	100.0
97.95945	0.3
98.95592	0.7
99.92593	0.4
101.02342	0.2
111.00890	0.2
113.02502	0.3
114.93352	0.3
116.92884	0.8
135.04535	0.9
136.98804	0.4
139.00365	0.4
161.02486	2.4
218.00650	0.2
219.06676	0.9
237.05736	0.2
241.05153	0.4
269.04602	1.5
273.07632	0.2
301.03708	1.2
309.07520	0.2
356.99179	0.4
357.13568	0.4
373.79108	0.2
399.00339	0.5
463.09033	0.5
501.03537	0.3
517.11475	0.2
561.29340	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	561.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70261	0.2
58.59392	0.3
59.01384	8.9
60.01716	0.7
71.01392	1.0
79.95749	3.2
85.02955	0.5
87.75004	0.3
96.96021	100.0
98.21883	1.0
98.95604	0.6
101.02425	0.8
113.02454	0.7
114.93420	0.4
115.04012	0.3
119.05045	0.3
139.00372	0.3
143.03529	0.3
153.02013	0.5
166.63901	0.3
279.20203	0.3
287.05695	1.2
325.00406	0.6
500.29688	0.8
501.03604	1.6
501.30505	0.9
502.04330	0.3
519.31110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01761	0.2
57.03437	0.3
59.01377	0.7
65.00344	0.3
71.01392	0.4
79.95750	3.2
82.95422	0.7
83.01378	0.2
83.96029	0.2
85.02947	0.3
94.82397	0.2
95.01377	0.2
96.96022	100.0
97.95945	0.3
98.95592	0.7
99.92593	0.4
101.02342	0.2
111.00890	0.2
113.02502	0.3
114.93352	0.3
116.92884	0.8
135.04535	0.9
136.98804	0.4
139.00365	0.4
161.02486	2.4
218.00650	0.2
219.06676	0.9
237.05736	0.2
241.05153	0.4
269.04602	1.5
273.07632	0.2
301.03708	1.2
309.07520	0.2
356.99179	0.4
357.13568	0.4
373.79108	0.2
399.00339	0.5
463.09033	0.5
501.03537	0.3
517.11475	0.2
561.29340	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	561.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01761	0.2
57.03437	0.3
59.01377	0.7
65.00344	0.3
71.01392	0.4
79.95750	3.2
82.95422	0.7
83.01378	0.2
83.96029	0.2
85.02947	0.3
94.82397	0.2
95.01377	0.2
96.96022	100.0
97.95945	0.3
98.95592	0.7
99.92593	0.4
101.02342	0.2
111.00890	0.2
113.02502	0.3
114.93352	0.3
116.92884	0.8
135.04535	0.9
136.98804	0.4
139.00365	0.4
161.02486	2.4
218.00650	0.2
219.06676	0.9
237.05736	0.2
241.05153	0.4
269.04602	1.5
273.07632	0.2
301.03708	1.2
309.07520	0.2
356.99179	0.4
357.13568	0.4
373.79108	0.2
399.00339	0.5
463.09033	0.5
501.03537	0.3
517.11475	0.2
561.29340	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	561.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.1
61.98835	4.3
65.00320	10.2
69.17293	6.9
69.17698	15.2
79.93646	2.7
80.42404	2.6
83.01411	3.9
89.19166	2.7
94.08308	2.9
95.01369	4.4
96.95995	3.2
96.99294	5.3
98.22610	6.6
110.00077	4.8
111.00879	4.2
118.56102	2.6
123.00862	3.0
124.00414	68.3
124.01421	4.6
124.01698	5.5
125.00743	11.4
132.60643	2.9
136.01633	3.5
136.98830	8.7
139.00407	7.3
145.06581	3.6
151.00331	3.1
152.01160	6.5
163.00446	3.7
164.98308	12.8
165.99052	4.3
166.99860	4.9
171.04543	4.4
225.05566	7.4
241.04988	2.9
242.08191	6.0
243.06601	30.3
253.05049	5.9
255.06580	4.3
256.06998	3.7
267.06674	4.6
268.06787	3.7
269.04480	26.5
270.05219	12.1
270.07758	14.5
271.06046	100.0
272.06470	4.4
288.62161	2.9
295.06158	4.7
296.06158	6.7
325.07114	11.6
367.06647	8.6
380.07831	27.2
381.08084	36.2
518.12250	3.2
561.16046	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	561.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57130	0.6
59.01385	1.6
66.42648	0.6
69.45249	1.2
69.45661	1.9
71.01396	3.5
72.45134	0.5
77.37431	0.5
78.95912	31.9
79.95749	3.6
96.96018	100.0
96.96970	51.5
101.02480	0.7
111.00857	0.7
116.98669	0.6
118.96655	1.9
123.00235	0.6
123.04546	2.2
140.98781	0.6
141.01970	0.7
141.37146	0.7
151.00424	0.8
152.01154	0.9
156.98207	1.1
160.97771	0.6
166.02759	1.5
167.03519	6.5
177.47192	0.5
179.97403	0.9
182.99780	0.9
194.02228	1.1
198.99385	0.7
207.01814	1.3
209.04558	4.7
210.99284	1.0
221.98686	0.6
241.00320	1.4
249.02972	1.8
259.59497	0.6
267.01871	3.1
283.01419	0.9
295.01508	1.6
300.22650	0.6
307.01575	1.3
351.06137	1.7
352.61411	0.6
367.03522	5.2
411.07343	0.7
427.05869	1.3
463.14725	6.9
471.08270	1.6
501.09485	12.5
502.09662	0.9
510.12912	0.7
561.11810	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	561.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80558	0.7
59.01370	2.2
63.53458	0.6
65.00339	4.3
68.45989	0.6
69.47413	2.8
71.01374	1.2
73.02954	0.9
80.38916	0.7
81.50579	0.6
86.18433	0.6
89.34025	0.6
91.59486	0.8
92.99848	4.5
101.02425	1.2
109.07500	0.7
110.00104	1.7
113.02469	1.2
116.92783	0.7
117.03435	1.2
120.99344	3.0
136.98802	4.9
154.04283	0.9
161.04530	0.7
164.98299	1.0
165.99123	1.2
169.02977	3.4
169.32391	0.8
175.03958	4.4
182.03938	0.8
183.04391	1.2
197.06184	0.8
198.03159	0.8
201.05551	5.2
210.03328	0.9
211.04088	0.7
225.05641	1.5
226.02809	4.1
241.04924	0.7
241.70042	0.7
255.02875	3.6
267.03000	2.3
269.04556	48.6
270.04904	2.0
283.02481	13.0
297.04053	83.1
298.04810	52.4
299.05051	2.0
313.07178	14.4
331.50793	0.8
344.65131	0.7
357.13446	2.2
410.18359	0.8
427.22754	0.7
475.12524	2.7
502.11267	12.9
503.11438	0.9
517.13538	100.0
518.13940	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	561.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46611	8.3
54.63865	9.6
60.52575	9.7
62.52065	7.8
69.08347	30.4
69.08771	28.1
73.75359	8.0
91.77794	8.1
111.00861	11.8
111.92451	10.2
136.98796	17.9
164.98260	22.9
170.44023	8.9
173.74539	9.7
255.02992	17.5
269.04694	20.2
283.02499	100.0
298.04828	98.1
301.03506	35.6
313.07254	86.7
450.19827	8.6
517.13611	58.8
589.23828	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	561.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26769	0.4
59.01389	7.1
61.98852	1.1
71.01386	3.6
72.99329	1.0
73.02953	1.1
75.00869	0.7
83.01400	0.7
83.93124	0.4
84.93889	1.7
85.02974	1.1
87.00886	0.8
87.84587	0.4
87.90839	0.4
89.02466	1.0
94.06535	0.5
94.07204	0.4
96.96009	2.9
97.02998	0.8
98.95584	1.8
99.00906	1.3
99.92596	18.3
100.92666	0.9
100.93374	10.3
101.02470	1.3
103.00422	0.5
109.06601	0.9
113.02451	1.3
115.92089	10.2
116.92874	100.0
117.92889	2.5
119.05019	1.3
124.37641	0.5
133.03032	0.5
134.03755	2.6
134.13933	0.5
135.04507	1.1
140.92850	0.5
142.94402	1.2
147.04562	0.6
148.05415	0.5
149.06113	1.1
154.94460	0.6
156.92326	0.7
158.93893	1.3
160.01753	1.1
161.04515	0.5
171.10378	0.7
173.92604	0.8
175.04031	1.8
176.04781	1.7
183.01251	3.5
184.02019	0.9
184.91861	2.9
191.07172	1.8
193.05066	3.0
197.02805	5.3
197.11819	2.1
198.03502	1.4
198.67381	0.5
207.06659	0.7
209.11722	0.7
211.04449	0.7
211.13403	1.5
213.15018	0.6
235.06117	5.7
242.96080	0.5
253.09270	2.2
255.03125	0.5
265.07184	2.0
279.06998	1.0
295.08658	2.3
295.13718	2.5
296.07404	0.5
297.07852	2.8
297.94586	0.5
301.03464	0.4
311.05942	1.1
313.14734	1.6
325.07272	0.6
325.20197	5.0
339.09061	1.4
340.24207	0.5
355.10434	0.5
357.13498	0.8
362.46100	0.5
381.09958	1.2
385.12012	0.9
399.10748	0.7
421.09778	1.7
439.10748	7.5
440.11035	0.9
457.11935	1.2
457.18869	0.9
463.10559	0.5
475.12781	3.1
475.20050	4.6
476.20749	0.7
481.11768	7.2
499.12790	4.1
517.13916	4.5
517.21228	19.4
518.21326	0.6
543.18958	0.8
561.12592	11.3
561.18994	1.1
561.29718	0.6
562.13184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21027	2.9
56.85078	3.0
59.01370	7.0
61.98826	4.4
65.97749	3.0
71.01380	15.9
72.97544	15.4
79.20509	3.2
82.95408	16.0
83.01388	3.7
85.02952	6.2
88.98804	11.4
96.95449	5.7
96.96017	46.6
101.02449	6.1
108.02193	5.8
111.00906	6.5
113.02445	8.7
121.02893	4.8
122.03728	7.9
123.04527	10.3
125.02453	3.6
131.61270	3.9
139.00401	4.8
150.03241	60.2
151.00346	9.0
152.01208	7.4
153.05554	6.0
161.02411	3.9
165.05579	100.0
167.03510	50.3
192.99696	4.7
213.07559	5.3
296.05359	8.0
301.03552	6.2
309.07651	5.3
311.07745	96.1
312.07932	5.2
313.16861	3.6
367.03229	3.4
509.16614	3.6
525.16180	92.3
526.16913	5.5
540.88470	3.5
561.21930	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	561.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01109	0.6
53.82333	0.6
59.01378	5.1
69.71063	2.5
71.01385	3.3
73.02940	0.9
85.02945	1.6
89.03970	1.5
91.01872	0.6
93.03464	1.6
96.96026	1.1
101.02441	1.7
107.05000	0.8
109.31383	0.7
113.02455	2.2
117.03497	5.0
119.01416	2.7
119.05045	2.1
121.02959	4.8
132.02184	7.1
133.03004	3.4
134.03758	83.7
135.04588	5.3
137.02452	2.9
142.59172	0.7
147.00847	2.0
149.01263	1.3
149.02460	21.9
149.06088	10.7
150.03235	1.1
152.01308	0.8
160.01677	26.9
161.02370	0.8
162.03258	1.5
163.03961	4.7
164.04820	13.6
165.01920	1.6
175.00386	15.9
175.04015	25.7
176.01221	1.2
176.04440	1.1
177.01932	1.9
178.02727	19.1
179.07158	2.2
190.02733	40.8
191.03432	2.6
192.04289	1.3
193.01550	3.3
193.05072	100.0
194.05406	2.2
205.05064	48.3
206.05569	1.6
207.03000	2.9
207.06705	0.9
208.03773	7.3
209.04411	0.8
217.01506	1.3
217.05046	1.2
223.06125	32.3
224.06593	0.9
232.03879	1.7
247.06195	2.9
255.17424	0.8
287.03885	1.6
288.04245	2.7
322.07123	1.2
337.05606	3.1
337.09314	13.8
352.08008	5.7
353.08838	3.1
367.10367	42.5
368.10678	2.0
385.11957	1.5
501.30722	1.0
546.41272	0.8
561.16113	2.3
561.23901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84135	0.4
56.48390	0.5
58.20286	0.4
59.01381	11.8
61.98830	2.1
67.59525	0.4
69.15608	1.0
69.16018	2.0
71.01391	3.1
73.02960	2.5
83.01373	0.7
85.02969	1.6
85.24799	0.4
89.02459	0.7
92.02663	0.5
93.03461	1.5
96.96019	0.6
99.00883	0.5
101.02451	3.0
108.02184	1.7
109.02982	0.8
113.02441	1.9
117.03451	1.1
119.05029	0.9
121.02957	5.4
122.03767	3.5
123.04513	0.5
125.41357	0.4
134.03745	1.6
135.04544	1.2
136.01675	80.8
137.02377	2.0
142.96758	0.5
149.06102	0.5
150.03261	0.7
151.04022	100.0
152.04350	2.2
159.04510	0.9
160.05327	1.0
161.04581	1.6
162.03293	1.4
163.04041	1.3
175.03967	0.6
175.07661	1.3
177.05545	1.2
189.05565	0.8
203.07181	0.6
283.02423	0.6
285.04141	0.6
311.12961	0.6
342.07095	0.7
342.11127	5.7
357.13464	84.4
357.26108	1.2
358.13757	3.4
381.09647	0.7
406.41745	0.5
449.61917	0.6
501.30798	3.0
561.15576	0.8
561.24402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44009	0.6
59.01390	4.3
59.67751	0.5
61.98830	5.6
71.01385	1.7
73.02977	0.4
89.02464	1.3
96.96034	1.9
101.02434	1.3
102.07384	0.5
109.06583	1.4
110.54394	0.5
117.03497	0.7
117.29311	0.5
119.05064	1.5
122.02504	0.6
145.02913	0.6
149.06149	0.8
161.04584	1.0
189.09251	1.0
190.61107	0.6
197.02995	1.1
197.11859	2.5
198.03700	0.6
200.08392	0.6
211.13371	2.3
214.06357	1.3
228.07994	1.1
237.09262	0.9
251.10789	1.1
252.11670	2.7
253.09221	2.7
254.02094	0.7
265.08728	6.6
267.13925	3.3
269.04535	0.9
279.10324	5.4
280.11053	12.0
281.11417	1.1
283.02701	1.2
293.12027	0.6
295.10281	0.7
295.13376	3.9
296.10474	0.9
297.04034	2.6
297.11227	1.4
298.04657	1.0
309.07724	0.5
311.12900	2.1
313.07150	0.6
313.14639	1.2
323.09430	1.0
324.10068	15.8
325.10461	0.6
325.20142	6.1
326.15482	0.7
326.20663	0.6
339.12344	2.0
341.10571	0.7
355.08151	0.6
356.12561	2.1
356.16397	1.1
357.13464	100.0
358.13806	5.7
475.19760	0.6
501.17490	1.0
501.30402	0.6
517.14618	2.8
517.20251	2.8
561.19916	18.9
561.29578	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	561.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24672	0.5
57.30994	0.6
59.01384	16.9
61.98825	2.6
65.34947	0.5
66.55916	0.5
69.16653	4.1
71.01408	2.7
78.95930	0.6
79.95749	1.8
85.02954	1.8
87.00896	0.9
89.02465	0.7
91.17065	0.6
96.96009	0.6
101.02443	2.0
104.49499	0.5
109.02975	0.6
113.02468	1.5
117.03435	0.9
119.05045	3.1
125.02422	0.6
135.04526	2.0
170.00465	1.0
183.01227	28.7
184.02032	8.5
185.11780	0.6
197.02800	16.3
197.11812	0.9
198.03537	2.6
211.04381	2.6
216.00980	1.2
225.05858	1.4
230.02475	0.8
239.07347	1.0
253.09232	1.9
255.03049	2.1
283.02560	1.7
295.13757	19.0
313.07770	0.6
313.14841	12.3
325.20154	3.2
355.15915	2.8
381.09763	2.7
399.10934	1.9
430.44797	0.6
457.19144	5.3
475.20105	29.8
476.20483	1.6
517.21173	100.0
518.21570	6.2
519.31445	0.8
543.18970	4.3
561.19714	4.3
561.31793	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	561.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59927	0.7
59.01365	0.9
60.69806	0.5
71.05019	0.8
78.95908	5.8
81.61884	0.7
83.95435	0.7
87.04496	1.0
93.65320	0.7
98.22630	1.5
112.84413	0.6
113.80520	0.7
115.04031	4.5
117.05605	3.1
121.02974	1.5
122.02460	1.5
122.03279	0.8
129.34578	0.6
133.90495	0.6
152.99593	2.7
157.95473	0.6
168.04301	0.8
224.06955	0.8
242.07904	3.5
279.23309	100.0
280.23669	4.2
350.83853	0.6
469.21371	0.7
472.21576	0.7
504.30975	31.0
505.31277	1.9
564.80920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56165	0.8
58.00792	0.9
59.01402	1.1
61.98820	1.1
69.10371	2.5
69.10783	4.5
74.53995	0.9
78.95905	20.3
81.65765	0.9
89.20577	1.0
91.59602	1.0
91.84953	0.9
96.96014	1.6
98.22620	2.7
112.57636	1.0
127.43502	1.0
152.99585	5.0
168.04367	3.4
224.06975	8.6
242.08093	1.9
261.21936	1.0
265.14694	1.3
265.21652	1.3
279.23322	100.0
280.23566	5.0
356.95581	1.0
504.31042	77.5
505.31427	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	562.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01169	7.7
59.01406	13.7
65.99834	8.6
69.03457	20.8
71.41587	8.4
75.61321	6.9
77.29430	8.1
78.02280	8.0
97.02979	20.0
100.51730	7.8
105.36653	8.6
111.79720	8.8
119.05052	9.9
123.69954	8.9
133.29431	9.0
145.06544	20.9
163.99922	15.6
164.98376	9.6
165.05640	14.7
171.04486	8.1
185.06094	10.8
201.05609	37.8
226.92719	8.5
227.03383	8.6
229.04999	15.1
242.08235	32.6
247.06206	22.9
268.06198	23.2
269.04492	13.1
270.07727	100.0
273.04120	20.3
280.06067	15.2
296.05640	33.8
352.08240	10.6
355.69897	9.9
365.27380	12.4
394.09381	26.2
434.28958	8.3
454.12955	19.3
482.12427	27.2
519.15387	15.2
544.12256	25.4
562.15631	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	562.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13926	13.0
69.14336	7.5
75.21279	3.2
75.27396	4.6
79.95736	5.1
86.21842	3.8
96.78014	4.1
96.96019	100.0
97.95921	3.3
98.95605	7.9
100.93320	6.9
116.92853	10.2
233.73442	3.6
310.86636	3.9
325.72543	3.4
327.12360	16.5
329.13959	14.8
339.12256	12.2
502.03717	8.0
567.35852	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	562.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11395	4.8
57.57939	5.3
85.06592	6.9
93.70107	5.0
98.21867	9.9
101.06091	18.1
113.06063	14.9
115.04025	34.3
115.07632	22.5
119.06467	5.1
119.08651	16.5
124.01662	6.3
130.98421	5.7
133.36569	4.7
139.04025	84.2
153.05618	8.4
163.07660	40.7
171.06650	90.3
180.50252	5.2
189.07681	11.6
195.68797	6.7
206.61432	4.9
219.50958	6.8
255.13852	16.7
273.14963	100.0
445.22342	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	562.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
68.29056	6.6
70.05211	8.2
70.05526	12.6
73.26292	6.4
77.15738	6.6
80.36425	7.6
84.59891	7.0
85.06605	8.9
98.21869	8.8
101.06088	17.3
113.06083	11.9
115.04026	41.0
115.07648	14.1
119.08693	12.0
122.02505	11.9
127.07757	8.2
139.04039	70.0
143.07127	13.5
147.80305	7.7
163.07661	30.2
171.06647	87.8
194.08701	7.1
255.13896	17.2
262.03909	7.2
271.31760	7.4
273.14954	100.0
385.18976	6.8
445.21854	8.5
503.24570	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
65.00343	2.3
69.18521	5.8
71.00940	0.9
71.01379	2.3
72.99305	2.4
79.95770	2.7
81.95334	1.3
84.93865	4.4
87.17591	0.8
96.96026	100.0
97.95944	2.8
98.22731	2.2
98.95607	77.6
98.96441	13.1
99.92599	29.2
100.92683	1.5
100.93368	24.3
110.00092	1.1
111.00946	1.2
115.92091	24.3
116.28403	1.0
116.92876	55.0
117.92879	1.3
119.05045	3.0
122.95463	1.2
124.93355	1.6
126.94939	3.3
128.92885	2.6
136.98849	2.6
138.94913	1.5
141.93706	0.9
142.94421	7.3
148.13150	0.9
153.01923	2.0
154.94456	3.0
158.93927	1.7
164.98309	3.4
166.94434	1.1
166.99940	1.6
169.93170	1.6
170.93930	5.2
182.15468	1.0
195.94753	1.1
197.06229	0.9
198.93497	1.5
202.98062	1.7
212.94989	1.4
230.96014	1.8
240.94507	2.3
255.10374	1.0
256.93930	6.9
257.94806	5.2
258.95523	8.5
259.95792	1.1
270.60046	1.0
274.94998	10.7
275.95743	1.7
283.02576	1.4
285.03931	1.7
287.05591	2.0
322.96637	2.2
323.97043	1.0
338.96155	1.5
340.97830	1.0
350.96204	1.6
361.00275	3.7
368.97189	8.8
369.97476	1.0
384.58978	1.2
387.63046	1.0
418.50531	1.0
424.94736	4.5
424.99744	1.3
526.99310	24.4
527.99622	2.6
563.01447	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	563.013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33288	1.1
56.86503	0.9
59.01383	13.9
63.58072	0.9
65.00332	2.3
68.99818	1.1
69.96860	2.9
71.01392	3.0
72.99320	2.4
78.77816	0.9
79.95743	5.9
81.95326	2.7
84.93883	4.4
85.02962	1.1
93.95717	0.9
96.96018	100.0
97.95964	2.6
98.95609	74.4
98.96442	14.0
99.00884	1.5
99.92592	24.3
100.93368	19.3
101.02438	1.1
106.52146	1.1
113.02488	1.0
115.92083	20.6
116.92870	47.4
117.92934	1.5
119.05035	4.5
124.93396	2.0
126.94953	2.5
128.92889	2.0
135.34477	1.2
136.98796	2.9
139.00365	1.9
142.94417	5.5
150.94952	1.3
154.94421	2.2
156.92395	1.6
160.05276	1.3
164.98355	2.5
165.52452	0.9
166.99919	1.7
169.93170	1.7
170.93916	2.8
175.07727	1.9
178.06302	1.1
182.19582	1.1
230.95967	1.3
234.96979	2.6
240.94356	2.3
256.93945	5.3
257.94714	2.0
258.95496	11.6
274.95099	5.5
275.96030	1.0
285.04214	2.4
287.05664	1.8
322.96759	1.8
329.14178	4.9
335.02234	1.2
361.00232	12.9
368.97144	9.5
370.98752	1.5
386.98087	3.1
424.94641	9.9
502.31223	2.9
503.03989	2.2
520.32104	1.6
526.99213	10.4
563.01147	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	563.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
65.74090	0.7
71.01385	4.5
71.40063	0.9
72.99288	0.9
73.02938	2.0
79.95725	2.1
85.02966	2.3
88.98803	2.4
89.02437	1.2
93.03476	1.0
95.01409	0.9
96.96021	3.3
101.02437	2.3
108.02184	54.4
109.02970	15.7
113.02481	1.8
116.55077	0.8
117.03449	1.4
119.05033	16.2
121.02934	2.2
123.04527	2.1
128.09688	0.8
129.56915	0.9
133.03000	0.9
135.04544	1.7
145.02968	5.5
146.03755	0.8
151.04015	1.5
152.01167	100.0
153.01805	2.7
159.04491	2.9
160.05292	6.6
161.02379	0.9
161.06081	1.7
163.04036	11.6
164.04660	0.8
167.03468	2.7
173.06094	1.0
175.04033	0.8
175.07687	5.5
177.05600	1.7
178.06325	3.1
179.03490	1.1
179.07172	0.9
192.07890	1.6
235.98888	1.8
241.07172	2.5
269.04584	0.8
285.06241	0.8
286.76715	0.8
296.09781	1.0
315.12363	1.5
327.12424	1.8
329.10239	1.5
329.13968	23.5
341.13998	1.7
344.12772	1.2
359.14969	9.2
371.11310	3.3
383.11371	3.2
399.09308	14.3
417.10422	63.3
418.10608	1.5
503.19165	5.9
521.20142	2.5
563.14020	59.4
563.21582	3.7
564.14294	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	563.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86777	0.9
53.37457	0.8
65.00326	3.0
65.99858	1.5
66.31072	0.8
67.01908	1.4
68.99818	2.0
69.82273	2.1
69.82609	0.9
73.69525	0.7
91.01906	4.2
92.01418	1.9
94.02965	1.0
95.01406	3.5
95.61253	0.8
99.64830	1.0
107.00153	1.0
108.00901	0.8
108.04568	1.0
110.02488	3.6
120.00912	1.7
121.01707	1.0
123.03280	4.2
134.02495	3.2
135.00952	1.8
135.03255	4.3
136.00398	3.3
136.04047	4.9
137.02432	7.3
138.01976	3.4
148.04082	2.9
151.00464	1.0
151.02757	3.4
155.02252	2.0
156.08209	2.4
163.00377	5.2
163.99915	33.1
165.00676	3.7
171.04564	3.8
180.03035	14.1
180.08221	2.8
184.07672	2.3
190.01459	1.4
192.03027	3.1
198.09279	1.1
200.07156	1.3
203.02208	1.2
206.09839	1.8
225.05705	1.0
226.08728	5.8
228.06868	1.5
242.05782	1.4
242.08247	30.0
242.10638	1.8
243.08499	1.7
250.06375	6.8
250.08778	4.2
252.06685	2.4
254.05931	1.2
255.06680	3.7
262.08545	1.2
264.06461	0.9
267.05444	0.9
268.06143	4.0
269.07050	2.7
270.07742	100.0
271.08002	3.6
276.06729	1.0
278.04904	1.0
293.06976	35.6
294.07687	9.7
296.05615	2.6
307.08066	0.9
311.90762	0.9
373.41574	1.0
398.13995	51.7
399.14359	3.7
458.13931	2.3
475.14426	1.1
476.14923	4.6
502.12582	1.6
519.15680	28.3
520.14331	3.5
546.11975	2.8
563.14569	16.2
564.14868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.1
59.01385	2.8
61.98833	0.1
69.28880	0.6
71.01388	0.9
72.99299	0.2
73.02962	0.6
73.63412	0.1
83.01379	0.4
85.02965	0.8
89.02511	0.1
93.03467	38.6
94.03789	0.6
95.01381	0.2
99.00888	0.2
100.00430	0.2
100.83235	0.1
101.02457	0.9
113.02475	0.6
137.02458	100.0
138.02791	1.7
138.45503	0.1
161.04512	0.5
216.32686	0.1
240.04182	0.1
269.10336	0.2
270.32596	0.1
283.06210	0.4
284.06305	0.3
285.06415	0.2
383.13495	0.4
401.14386	0.2
443.15518	0.5
463.59741	0.1
563.17603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1775
Annotation	Dracunculifoside H
Peak:m/z	Relative Intensity
55.01876	0.5
58.38933	0.5
59.01383	4.7
65.02451	0.6
69.13920	3.8
71.01385	5.1
72.42723	0.6
73.02969	3.3
83.01405	1.3
84.21272	0.6
85.02961	3.8
89.02458	1.1
95.01359	0.7
99.00881	0.7
101.02480	3.7
107.05035	2.8
113.02430	3.0
117.03505	1.6
131.38446	0.5
132.02150	1.6
133.02975	14.4
134.03772	8.9
135.04544	100.0
136.04880	2.3
161.02464	43.6
161.04608	2.6
162.02831	1.0
179.03519	62.6
180.03912	1.4
259.02737	0.7
269.10336	1.5
304.09869	0.6
341.13977	0.6
343.04791	0.6
359.15060	1.9
401.14630	2.6
435.12354	0.6
563.17737	41.0
564.18182	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	563.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41273	0.2
59.01391	1.3
60.38537	0.2
61.98830	0.4
65.03973	0.5
68.92166	0.2
93.03468	58.2
94.03802	0.6
113.02451	0.2
119.05051	0.4
135.04468	0.2
137.02461	100.0
138.02806	1.8
155.09392	0.2
193.05777	0.2
230.06506	0.2
298.94833	0.2
335.68832	0.2
359.15173	2.0
484.01358	0.2
563.21063	0.3
563.34454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02802	2.7
59.01351	4.4
69.10875	18.8
70.52280	2.8
70.87753	2.8
75.00881	34.3
78.95897	15.4
85.02950	4.3
96.59252	3.1
98.22757	5.1
105.73293	3.3
121.02963	100.0
127.17916	2.9
134.87376	2.7
135.04520	14.1
135.05434	3.1
152.71266	3.0
174.41150	2.7
224.06833	3.6
277.21771	42.9
278.22028	10.1
278.29166	3.3
289.14359	11.6
345.17050	5.9
467.14944	5.1
467.20767	59.2
468.21231	3.3
498.39026	3.2
502.29660	27.1
503.29892	6.6
583.78070	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	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56836	0.4
56.62503	0.3
59.01378	1.4
61.04810	0.4
61.82901	0.4
66.18690	0.5
69.33178	1.6
69.33585	0.9
72.68452	0.4
84.95119	1.6
88.77040	0.4
108.02161	0.8
109.02904	0.5
109.13673	0.4
121.02980	5.0
122.03748	1.9
124.01714	0.6
131.03474	0.4
135.04546	0.8
136.05328	1.5
137.02365	0.4
137.06117	0.7
143.04980	1.1
145.02971	0.6
147.04523	2.3
149.02502	0.6
150.03255	2.6
152.01149	0.7
158.03743	3.4
159.04535	10.3
160.05310	29.9
161.06085	8.4
163.04019	1.5
164.04803	2.2
173.06117	3.1
174.06851	1.9
175.07651	25.8
176.04861	0.4
176.07993	0.8
177.05618	3.8
178.06360	14.3
192.07957	7.2
193.08673	2.5
269.08105	2.6
283.09869	1.2
299.09219	1.5
303.82697	0.4
311.09320	2.4
314.11594	5.0
326.11581	1.7
329.13950	100.0
330.14249	3.8
334.15933	0.5
341.13956	3.7
359.14987	2.5
371.15057	1.5
383.14972	0.8
417.10605	0.5
444.39511	0.5
563.14349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04145	0.4
59.01379	2.6
61.98837	2.6
71.01389	1.0
71.39878	0.5
78.95891	0.5
84.47293	0.5
91.79613	0.4
93.03492	0.6
96.96040	2.3
100.93434	0.5
101.02440	0.5
108.02161	0.8
109.02931	0.8
111.00918	1.0
111.87160	0.5
113.02503	0.6
117.03457	0.7
119.05064	0.8
121.02976	4.7
122.03746	1.7
123.00906	0.5
123.04527	0.8
124.01706	0.7
133.02986	0.8
136.01645	0.5
136.05327	1.0
143.05063	0.7
146.03731	0.5
147.04506	2.4
149.02463	1.0
150.03247	3.4
151.04034	0.7
158.03758	2.7
159.04553	10.2
160.05321	30.3
161.06104	8.3
163.04051	2.6
164.04842	3.1
173.06104	5.3
174.06836	1.9
175.07660	27.1
175.65839	0.4
176.04866	1.2
177.05586	4.8
178.06383	14.7
183.08853	0.4
190.06374	0.4
191.03596	0.5
192.07925	6.1
193.08682	2.6
208.99236	0.5
269.04596	0.9
314.11777	1.2
329.13971	100.0
330.14233	4.7
341.13956	0.5
347.72318	0.5
359.14880	3.5
360.14838	0.4
364.96149	0.6
473.18228	1.3
519.25244	0.6
563.28351	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98680	0.8
55.01869	1.7
57.03464	0.9
59.01384	100.0
61.98835	8.4
69.03471	1.2
69.18291	5.6
71.01385	38.2
72.99308	1.0
73.02953	74.6
81.03464	1.1
82.95433	1.3
83.01391	17.2
84.00365	0.9
85.02955	9.5
87.00877	2.7
89.02448	14.9
95.01387	3.8
96.96037	1.3
97.02937	1.0
99.00915	1.2
101.02449	50.3
108.02175	2.1
109.02963	4.6
113.02462	25.5
116.92857	1.6
119.03517	6.9
119.05000	1.2
121.02966	3.2
122.03751	1.9
123.04536	2.7
125.02460	1.8
131.03543	5.2
133.02878	1.3
143.03497	4.9
146.03841	1.0
149.04573	5.0
155.03520	1.5
156.28470	0.8
159.04561	4.2
160.05296	9.6
161.02472	1.8
161.04559	12.9
161.06041	3.4
162.03250	10.8
162.06818	1.0
167.03493	2.6
171.04556	1.4
172.05313	6.2
173.06070	4.8
175.07640	3.1
177.05594	12.8
179.05618	2.3
187.07669	3.5
189.05591	13.4
190.06367	10.6
203.05527	1.3
205.08678	10.3
221.06656	1.3
227.06917	1.0
253.08681	1.3
261.05551	0.9
263.13098	0.9
265.08630	1.3
271.06042	1.3
281.08221	3.4
285.04233	0.8
295.09787	1.7
296.10486	6.0
297.99506	0.8
299.02075	2.4
300.02658	1.1
310.08536	1.0
311.09509	1.7
311.12823	8.8
313.03513	1.0
326.11420	1.9
329.13873	1.3
341.13950	53.9
342.14313	2.6
359.15033	5.8
385.11337	2.0
503.19324	13.1
504.19434	1.3
519.11365	4.3
521.20276	2.0
527.25146	2.0
563.20612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11700	1.5
53.43077	1.5
55.01860	3.2
57.03462	2.7
59.01385	79.4
65.70055	1.6
70.79318	2.0
71.01388	22.7
72.99300	1.8
73.02947	11.8
75.51009	1.8
81.84182	1.5
83.01389	6.1
85.02956	11.6
86.00095	2.5
87.00865	3.9
88.98774	1.7
89.02445	5.9
95.01398	3.1
99.00873	4.0
101.02449	17.8
107.51891	1.6
109.02963	2.6
111.00922	1.8
113.02431	5.7
121.02959	6.5
125.02450	3.0
135.04533	2.2
136.01669	4.1
136.48474	1.6
145.02953	3.9
147.04485	2.5
151.04010	7.3
152.04253	2.6
157.01419	1.5
159.04526	4.4
161.04559	1.8
167.03606	2.0
171.52342	1.7
203.38004	1.6
213.30984	2.0
253.08653	2.1
255.06514	4.2
265.08734	3.4
266.05786	3.4
267.06628	5.6
268.07431	5.6
269.08243	7.0
270.09085	4.1
280.07291	3.3
281.08224	19.1
282.08890	11.1
283.09747	11.0
293.08258	4.7
295.09671	6.4
296.10388	3.7
297.10797	1.9
299.09314	7.8
309.11203	2.7
311.09457	9.7
311.12515	2.3
312.09976	3.1
314.11530	12.4
315.12497	8.0
326.11597	18.2
327.12302	11.6
329.13962	19.9
341.13889	19.6
343.11752	4.8
353.10181	2.2
355.11752	8.2
356.12518	1.7
357.13275	3.7
358.13916	2.8
359.15015	17.6
369.13535	3.9
392.67957	1.7
400.48489	2.0
427.15732	2.8
443.13348	2.6
445.14935	2.1
455.13577	6.1
458.15833	11.5
461.14517	3.0
470.15845	7.7
473.18463	58.0
474.18536	3.5
476.16849	12.9
485.18219	79.6
486.18530	6.9
488.16833	9.4
491.19257	64.7
492.19461	3.1
503.19284	100.0
504.19504	5.2
515.15375	2.0
533.20282	78.6
534.20593	4.9
545.20258	48.8
546.20691	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24387	0.1
54.12683	0.1
59.01383	0.3
59.04034	0.1
62.23875	0.2
63.11983	0.1
66.09251	0.1
69.11403	0.9
119.05018	0.2
121.69329	0.2
122.02491	0.2
135.04539	0.2
137.06085	0.3
149.02402	0.2
159.08147	0.2
163.04034	0.6
164.04800	1.1
165.05634	1.4
166.08746	0.2
176.04788	0.2
177.05615	0.6
189.01941	0.6
203.03513	0.2
204.04292	4.3
205.08722	0.5
239.07294	0.2
239.60130	0.2
243.06613	0.3
244.07472	0.3
265.08929	0.2
267.10248	0.2
269.08170	0.2
274.12225	0.2
280.11087	0.2
281.08374	0.2
281.11819	0.3
283.09787	0.3
285.11188	0.4
287.13058	0.2
295.09790	0.7
295.13312	0.5
296.14221	0.2
297.11374	0.9
298.11966	0.3
299.12863	0.4
309.11328	0.5
311.09277	0.9
311.12753	0.3
313.11243	0.2
313.14453	1.1
314.00754	0.2
315.12451	0.9
323.09357	0.3
324.09879	0.2
325.10861	1.1
326.11588	1.8
327.12344	2.8
328.13010	0.2
329.02979	0.5
329.10349	0.2
341.13950	8.9
342.14362	0.3
343.11926	0.7
344.05502	0.6
355.15350	0.2
357.13495	0.3
358.14246	0.7
359.15012	100.0
360.15363	4.6
401.16220	0.2
563.21368	3.8
564.21704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07925	0.3
59.01370	1.8
71.01366	0.7
71.41829	0.4
75.85332	0.4
80.63944	0.4
85.02959	0.6
96.95993	0.6
100.93426	0.5
104.45559	0.3
108.02213	0.6
109.02946	0.5
116.92864	0.9
117.09364	0.4
117.92908	0.5
118.03518	0.3
118.92694	0.4
119.05038	0.6
121.02969	4.0
122.03762	2.2
123.00957	0.5
123.04559	0.5
124.01608	0.3
136.01678	0.6
136.05295	1.3
143.05058	0.8
147.04506	2.1
149.02448	0.9
149.06049	0.5
150.03256	2.7
153.05634	0.6
158.03757	2.4
159.04533	8.6
160.05312	28.1
161.06093	8.4
163.04018	1.8
164.04799	3.4
173.06105	3.5
174.06860	2.1
175.07654	28.4
176.04803	1.4
176.08008	0.7
177.05556	4.9
178.06375	14.8
191.07185	0.6
192.07942	7.8
193.08699	3.3
205.08725	0.5
233.32983	0.3
299.12897	0.7
314.11652	0.9
329.13953	100.0
330.14346	4.7
341.13824	0.6
359.14972	3.0
473.18259	1.9
485.59305	0.4
503.19376	1.0
521.20361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
59.01390	16.5
62.96398	2.0
71.01392	14.2
71.84528	1.4
72.99314	1.8
73.02911	1.4
74.96434	2.4
75.00884	27.4
78.95907	4.2
85.02949	13.9
87.00879	4.2
89.02455	4.5
95.01406	1.9
98.58061	1.4
99.00892	4.2
101.02467	4.9
110.94106	17.0
112.93816	3.1
113.02464	13.1
115.05141	1.6
116.01109	1.7
118.48994	1.5
125.00083	4.2
128.03488	3.3
164.97839	8.2
168.94588	2.5
198.84448	1.6
204.92326	29.7
206.92078	4.6
285.95367	1.7
331.35361	1.5
382.12894	1.7
563.23535	100.0
564.23749	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	563.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.9
59.01389	17.4
62.96416	5.2
64.98120	1.5
68.30279	1.5
69.43126	6.0
71.01384	19.4
72.99311	5.2
73.02952	2.4
74.96425	4.9
75.00880	33.4
78.95912	6.0
83.01400	1.9
85.02959	14.5
87.00898	5.5
89.02444	5.6
95.01388	2.4
98.22641	3.1
99.00877	3.3
101.02449	5.2
110.94113	26.2
112.93800	4.2
113.02468	12.8
116.01208	1.9
117.01987	1.7
119.03571	1.8
125.00129	6.3
128.03537	3.5
137.02478	2.5
143.04642	2.2
144.86972	2.8
146.86633	2.5
164.97826	7.3
168.94730	3.6
175.02498	2.2
199.01643	1.7
204.92308	33.3
204.94232	2.5
206.91978	9.0
220.84230	2.7
222.83771	3.1
266.52771	1.5
272.08878	3.1
307.16730	1.6
314.82324	2.2
316.82083	5.9
337.98523	1.5
392.79230	4.0
443.13937	2.1
468.76404	1.9
486.77457	7.1
562.74500	2.8
563.23553	100.0
564.23932	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	563.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.4
57.03456	3.3
59.01385	20.2
71.01389	20.0
71.17539	1.0
72.99308	3.7
73.02946	2.8
75.00880	16.5
78.95931	0.8
83.01423	1.3
85.02960	24.3
85.71373	0.6
87.00886	4.9
89.02464	5.6
93.19366	0.6
95.01406	2.9
99.00893	7.2
101.02435	4.1
103.00374	1.2
111.00832	0.6
113.02460	25.7
115.00415	4.3
116.01147	0.6
117.02001	1.3
119.03564	1.2
123.08223	2.0
125.00111	0.8
125.02452	0.6
128.90225	0.9
138.85942	0.5
156.41830	0.6
157.01488	1.0
157.13457	0.6
158.14545	0.6
161.04625	0.9
163.11325	4.0
167.03581	0.9
175.02507	3.5
189.12848	4.5
204.92404	0.9
207.10379	1.7
207.13956	2.7
225.05122	0.7
253.04813	1.7
271.05975	0.9
387.16605	8.8
519.21082	0.9
563.23730	100.0
564.24280	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	563.2654
Annotation	Morinol A
Peak:m/z	Relative Intensity
51.92813	0.8
61.98816	1.0
70.48846	1.5
78.95908	5.7
84.82269	0.9
94.92506	2.1
102.38458	0.9
110.00085	1.4
119.05024	1.3
147.04556	1.2
152.99590	1.5
175.03963	4.6
224.07202	1.9
227.53569	1.0
239.03468	2.4
249.09087	1.0
267.03006	2.8
268.03799	14.8
269.04578	2.4
270.07822	2.0
280.06061	1.4
281.24866	26.9
282.05276	1.8
293.08215	2.2
308.06778	2.3
321.04147	2.7
321.07675	40.7
322.07956	2.6
335.09256	1.1
378.14713	1.1
379.15543	7.5
399.21759	1.2
417.23059	2.2
417.28958	1.0
506.32602	17.3
545.25470	1.8
563.26532	100.0
564.26678	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	563.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59340	2.9
63.53783	3.0
78.95892	7.8
112.05141	3.4
127.58883	3.8
140.27116	3.0
152.99513	3.7
160.24423	3.3
242.08031	4.3
272.60202	3.7
281.24887	100.0
336.76932	4.3
358.41284	4.0
506.32544	32.4
557.35028	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	563.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	2.1
62.64573	1.7
64.00014	1.8
71.23700	1.5
73.48409	1.5
78.95914	21.2
91.17226	1.5
118.45920	1.7
135.02116	1.8
152.99628	2.1
168.04333	2.8
187.07820	1.6
224.06999	6.0
239.03340	1.8
242.07951	2.3
267.02826	2.1
270.07858	2.8
281.24896	100.0
282.25156	4.5
506.32568	77.4
507.32730	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	564.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98041	1.9
58.02976	3.6
59.01386	3.4
59.79036	1.0
62.96416	27.5
70.93826	1.8
70.99617	3.4
71.01385	2.1
72.97538	3.1
74.02497	8.1
74.96421	1.4
75.00867	1.7
76.97968	1.8
78.39178	1.0
78.95913	36.3
82.03007	1.8
86.02496	6.2
89.02473	2.0
90.00296	1.1
90.98619	1.5
94.93626	1.7
99.05656	7.1
101.02515	1.3
101.07183	1.2
102.05647	1.6
109.00622	12.6
110.94109	12.8
110.98553	5.5
112.02287	1.3
112.04082	1.3
112.93866	2.9
113.02454	3.1
118.93639	4.4
123.05688	1.4
124.04021	1.3
125.00111	53.6
127.05116	2.1
128.03555	34.4
133.02977	1.5
134.03751	2.7
135.05605	1.9
138.04338	2.5
140.97885	2.3
140.98959	3.8
141.06693	2.4
143.04651	28.9
146.04643	4.2
148.00703	2.0
148.01707	2.6
149.95517	7.6
150.96234	6.3
153.06725	3.6
160.00720	1.4
164.97818	100.0
166.09740	1.3
166.95697	1.5
168.94682	1.6
174.03275	1.7
174.07982	1.0
179.04625	6.4
182.98904	1.3
185.05698	3.3
192.12225	1.3
197.05652	1.7
199.01938	5.1
202.98840	3.6
204.92323	17.1
206.92010	3.3
208.02130	1.0
208.91769	1.3
210.08833	6.5
217.02859	2.6
231.05327	5.0
235.06168	1.6
240.01004	1.4
244.94470	5.7
245.94186	1.0
252.01001	1.5
254.07846	11.5
267.08817	2.4
272.08887	27.9
273.09311	1.8
275.04456	3.9
276.97067	9.1
290.98730	5.4
309.03159	6.2
358.05743	2.8
438.07520	5.3
480.72906	1.2
528.60785	1.2
532.05688	3.6
563.23480	4.4
564.08032	6.2
564.23773	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	564.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58864	0.9
65.00332	2.6
65.99854	1.0
67.01891	1.7
68.99818	1.7
74.45251	0.9
101.35670	0.8
109.02769	0.8
110.00120	1.3
117.56470	0.8
136.00415	2.7
145.06552	1.2
148.86232	0.8
162.01956	1.0
163.99899	3.4
164.98325	2.0
171.04565	2.2
173.06090	1.3
190.01414	1.1
195.27400	0.9
197.01236	1.0
198.01956	1.5
206.03812	0.8
212.03481	1.0
214.01512	1.9
215.07138	2.5
216.02997	1.6
218.00955	7.9
222.58704	0.9
226.01404	3.1
228.03036	3.0
228.06607	1.4
240.03036	2.9
240.06824	1.1
242.00911	3.1
242.08243	2.6
244.02570	2.1
250.08621	1.0
256.02524	2.2
266.08444	1.3
268.06155	9.2
269.04587	4.8
270.00381	1.4
270.04855	1.7
270.07755	3.7
280.06238	1.1
284.02026	9.1
285.99805	1.7
290.08044	1.1
292.09891	0.8
294.00436	18.0
294.07626	2.9
306.07715	3.8
307.01187	1.0
310.07242	2.1
313.99399	1.4
318.07800	3.4
320.05685	1.9
320.09222	2.1
322.07193	8.7
346.07245	6.8
348.05096	9.7
348.08871	2.9
359.04306	0.9
362.06757	1.0
364.08408	2.6
374.06659	3.6
381.46225	0.9
388.08340	2.5
390.06146	10.7
392.07825	5.0
398.06854	9.4
400.04660	4.6
416.07806	3.7
418.05740	9.4
450.13354	1.3
460.06351	2.2
478.07809	3.0
494.12433	6.0
520.14203	2.0
522.11627	3.3
564.13000	100.0
565.13397	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	564.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81912	0.8
53.72389	0.8
54.75315	0.9
64.65620	0.8
65.00327	2.3
65.29213	1.0
65.99850	1.4
68.99813	1.5
71.42186	1.0
93.88361	0.8
95.78712	0.9
110.02465	1.4
119.01381	1.1
123.03271	1.6
130.03015	2.4
134.02492	2.5
135.00891	1.4
135.03253	2.0
136.00397	3.5
138.01985	1.2
140.07912	0.9
142.02939	1.0
146.02411	1.1
148.04059	2.5
151.02782	3.0
154.03000	6.1
156.04521	1.1
162.02055	1.0
163.00403	1.8
163.99875	2.4
169.06616	1.2
170.02443	1.0
171.04555	5.2
172.04027	2.9
174.01981	10.5
176.01163	2.3
182.02458	1.9
187.99890	3.6
188.98288	0.9
192.03061	1.9
196.04083	2.0
197.05945	0.9
198.01970	19.7
200.03505	2.2
202.01523	3.2
210.01923	3.3
214.01508	1.4
222.01985	4.6
224.03592	1.0
224.07309	1.3
226.01509	5.6
227.99370	1.2
232.49959	1.0
238.01476	3.9
239.07135	1.5
240.02942	1.7
242.00972	10.0
242.08235	17.4
250.01454	2.8
252.06599	1.3
258.09137	1.2
265.04996	1.9
266.00974	11.5
267.06650	2.9
268.02600	1.3
268.06158	6.0
269.04648	2.4
270.00476	3.4
270.07727	29.2
271.08249	1.5
274.08929	1.1
278.08212	1.5
279.01740	1.2
280.06143	2.0
293.04565	3.3
294.00491	15.6
294.07785	2.2
295.06131	1.7
296.05612	8.6
298.08865	1.5
300.06793	1.5
302.08295	4.5
304.06058	1.2
310.00061	2.2
314.08359	1.1
322.07199	3.4
326.08383	2.6
337.99448	1.9
342.07886	1.7
344.09296	2.3
346.07230	3.4
354.07715	1.0
356.05621	1.4
370.07175	3.7
372.08694	3.2
374.06631	1.0
398.06741	14.3
414.06128	9.9
416.07614	4.0
424.04688	1.4
442.05698	94.1
443.06064	5.1
460.06836	17.6
502.12973	15.9
518.12561	2.0
520.14240	3.1
528.10986	2.3
536.13385	1.7
546.12012	42.2
547.12292	2.5
555.23145	0.9
564.13025	100.0
565.13330	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	564.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03547	0.5
65.00347	2.2
65.99873	1.8
68.99832	0.9
70.64520	0.8
70.64842	0.7
86.75616	0.5
89.00356	0.7
94.08462	0.5
95.01395	1.3
110.02502	1.7
118.02975	0.9
119.01418	0.9
120.00941	1.2
120.04556	0.8
120.99316	1.2
121.03004	1.3
122.02494	0.7
123.03279	3.4
130.02994	4.3
132.75786	0.6
133.01740	0.6
134.02505	3.0
135.00885	0.9
135.03268	3.5
136.00430	4.9
136.98837	0.7
137.02455	0.8
138.01985	1.3
146.02492	0.7
148.04080	1.5
151.02739	3.1
154.02991	7.3
155.02307	0.6
156.04570	1.2
158.02539	0.8
160.98860	1.8
162.01965	1.2
163.00404	2.6
163.99918	2.3
166.01570	1.2
166.02953	0.9
168.04588	0.9
169.06679	0.8
170.02483	2.1
171.04535	4.4
172.04010	2.6
173.06125	0.7
174.01982	10.9
175.99860	0.9
176.01198	1.8
176.03552	1.1
182.02512	2.4
184.04037	0.8
186.02017	0.7
187.99966	3.9
188.98337	1.3
189.99071	1.8
191.99469	0.8
192.03094	2.1
194.02545	2.0
196.04048	2.5
198.01981	23.6
199.02423	0.9
200.03590	2.3
202.01393	3.4
206.02695	0.6
208.07887	0.6
210.01938	5.4
212.03539	1.2
214.01540	0.9
216.03018	1.7
218.00951	0.9
222.02010	4.6
224.03494	0.9
224.07158	1.1
225.05748	1.2
226.01469	7.1
226.05022	0.7
226.08751	0.7
227.99376	0.6
228.06679	0.9
238.01459	6.1
239.02263	1.0
240.02994	2.6
240.06633	0.7
242.01006	10.3
242.05763	1.2
242.08246	23.6
243.08536	1.0
244.02527	1.2
250.01520	3.8
251.02113	1.0
254.01169	0.7
255.06677	1.2
265.21820	0.9
266.00958	10.8
267.06686	3.9
268.02826	1.1
268.06232	3.3
269.04495	1.0
270.00534	2.6
270.07703	42.4
271.08051	1.8
272.07199	0.7
274.08832	1.0
278.08319	1.0
279.01614	1.0
280.06287	1.2
282.00568	0.8
286.08716	0.9
288.06699	1.0
293.04517	3.6
294.00473	14.9
294.05258	1.1
295.00757	0.6
295.06058	1.2
295.98572	0.8
296.05658	7.1
298.08734	2.0
300.06573	0.6
302.08206	4.5
304.06152	0.8
309.99969	2.3
312.01694	0.8
312.06512	0.8
314.08310	1.2
320.08911	0.9
322.07040	2.8
324.06519	0.7
326.08292	2.6
328.06094	1.1
330.07880	0.9
337.99530	2.7
342.07709	2.5
344.09286	3.4
346.07266	3.6
348.08682	1.0
354.07724	1.1
356.05569	1.3
370.07193	6.0
372.08878	2.7
374.06799	1.1
378.97815	0.6
388.08429	1.0
395.14151	0.6
396.05005	0.9
398.06699	15.0
400.04706	0.8
414.06146	8.1
416.07587	3.2
424.04660	1.2
442.05685	100.0
443.05878	5.4
453.31360	0.6
458.08926	1.7
460.06754	21.4
460.13077	1.3
461.07169	1.3
502.13022	17.2
503.13107	1.3
520.14136	3.6
522.12067	0.8
528.10535	2.2
546.11987	52.1
547.12213	4.1
564.13013	90.3
565.13361	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	564.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58809	1.1
59.76145	0.9
64.01930	1.6
65.00325	4.8
65.99850	3.0
68.99828	2.0
78.95913	2.6
91.01899	1.5
95.01410	3.1
96.00922	4.5
108.00917	1.1
110.02501	3.6
113.14320	1.1
119.01375	2.8
120.00930	5.4
122.02491	1.9
123.03259	3.5
134.02489	4.5
135.00899	5.3
135.03293	4.6
136.00424	16.8
137.02502	2.1
138.01970	1.8
148.01602	1.5
148.98761	1.3
151.02777	4.9
151.05611	1.4
153.01903	1.0
157.06601	1.6
163.00363	6.9
163.99922	17.6
166.01425	1.4
167.89821	1.0
169.06606	1.5
171.04495	4.5
171.05766	1.0
174.01938	1.6
176.01195	3.3
181.06590	1.4
189.01974	1.3
190.01492	1.5
191.99500	5.0
192.03009	4.2
193.06599	4.7
195.08229	1.5
197.06070	5.3
198.01994	1.2
200.03557	1.0
200.07184	1.4
202.01340	1.5
209.06071	1.9
211.07722	1.6
216.02982	1.6
218.00948	3.7
218.78426	1.0
221.06105	3.0
223.07661	2.7
224.07133	3.6
225.05602	6.1
226.01582	1.3
226.05127	3.5
226.08759	3.4
228.06738	2.5
237.05560	3.5
238.01352	1.4
239.07129	13.6
240.06645	6.0
241.04958	1.5
242.00925	1.1
242.08232	46.6
249.05585	4.0
250.01518	1.1
250.06322	1.6
252.06711	2.8
254.04587	1.7
265.05078	27.7
267.06638	26.2
268.06165	40.2
269.04440	1.3
270.07727	100.0
271.08102	2.6
277.21719	15.8
278.08032	1.8
278.22076	7.7
280.06244	3.2
293.04584	31.8
294.00476	4.3
294.05365	1.6
294.07867	8.1
295.06076	9.7
295.98428	2.4
296.05661	54.4
302.05234	1.2
302.08087	5.0
304.06317	2.0
306.07593	2.1
326.08118	1.9
330.07571	1.5
338.06808	2.6
346.07098	3.2
354.07635	1.6
370.07339	2.1
372.08676	1.7
374.06863	1.6
398.06796	6.6
414.06036	1.5
478.13248	2.3
494.12610	2.6
502.12967	16.5
502.29437	1.9
503.29791	3.2
510.19479	1.0
513.55176	1.1
518.12323	7.6
520.14197	10.9
536.13580	37.2
537.13782	3.0
546.12067	18.0
564.13025	34.4
564.26794	1.4
565.13403	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	564.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08077	0.6
53.23923	0.7
57.92725	0.7
59.01390	1.4
61.98820	1.3
65.05027	0.6
78.03504	1.7
85.02955	2.7
94.07278	0.6
107.05045	0.8
109.06667	0.9
109.61954	0.7
119.04960	0.7
122.02490	100.0
123.02789	1.1
136.04057	10.4
150.05641	3.9
160.51022	0.7
178.05109	1.2
217.16032	2.7
259.17105	0.9
261.14856	1.3
273.18646	1.6
289.14478	19.0
301.18002	0.9
315.66263	0.7
345.17035	4.4
406.30136	0.8
468.20261	55.5
469.20517	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	564.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46106	3.5
50.87313	3.9
51.64750	3.8
59.01390	22.1
61.98827	17.5
69.14801	21.9
71.01377	10.8
73.02952	15.7
74.02472	13.3
82.95417	15.3
84.95113	17.1
85.00432	6.8
85.02952	13.1
86.20024	4.1
87.00894	9.8
89.02419	5.8
96.96015	5.0
101.02438	5.5
103.04027	4.9
109.02942	6.1
111.69676	3.5
113.02421	4.9
116.92892	19.1
121.02968	14.1
122.03742	16.9
123.04532	7.2
133.02937	4.9
135.05678	4.0
147.04526	7.9
148.69376	4.1
153.05528	5.9
165.05553	24.1
179.07097	5.5
240.17189	11.3
250.11829	7.7
258.29013	3.8
282.10046	4.1
284.16159	5.1
314.11526	8.0
318.01346	4.7
329.13812	21.8
331.15375	9.1
341.14090	8.9
346.14346	8.5
359.14874	9.1
360.15311	6.4
361.12344	7.2
361.16599	100.0
443.09430	7.3
564.25397	5.2
565.23364	8.8
565.33411	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	564.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	54.4
61.98827	25.7
69.76476	17.5
69.76871	15.9
78.91859	9.4
86.37956	6.5
87.04518	100.0
96.16922	8.4
97.02956	19.4
101.62013	7.1
115.04034	30.3
122.02526	37.7
127.69505	8.0
135.04547	11.4
148.04025	9.8
191.88513	7.6
295.10938	16.2
316.89615	8.2
321.09131	8.5
345.11133	7.9
463.01343	7.6
488.14392	16.3
520.20923	10.2
532.13452	11.1
564.34729	20.8
565.18799	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	564.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53407	12.6
59.01383	32.0
61.98827	20.3
63.35738	11.4
69.21223	39.6
69.21623	18.2
73.88362	11.7
74.40775	10.0
77.62279	13.1
84.96510	10.9
87.04520	59.8
115.04032	100.0
284.26709	14.7
433.22394	24.8
493.24304	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	24.8
61.98839	31.6
69.10223	100.0
72.93761	12.3
75.95110	12.8
79.41672	12.1
81.62273	13.0
87.04546	33.7
89.02486	13.6
91.86921	14.7
93.77386	14.7
93.84728	11.9
102.13741	14.0
110.13490	12.0
115.04008	57.1
143.52953	12.6
145.67181	13.8
199.76826	12.5
220.22673	13.9
222.71667	13.6
493.24487	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05623	2.2
59.01382	5.9
61.98834	6.2
69.82730	5.9
71.01376	3.7
76.09254	2.3
77.07901	2.3
81.85656	2.3
85.11845	2.4
87.04521	100.0
105.95030	2.6
115.04028	44.3
139.04027	23.8
171.06699	18.7
349.20013	4.5
357.92078	2.9
419.24255	7.1
564.25610	3.3
592.76440	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	565.0483
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
60.56429	0.4
62.96394	0.9
66.48984	0.4
69.99648	0.7
69.99950	0.5
74.54315	0.4
75.70249	0.4
78.95910	100.0
79.95750	0.4
80.01720	0.4
86.68721	0.4
96.96056	3.9
96.96968	36.9
98.22572	0.5
107.14983	0.4
111.02016	7.5
120.96983	1.7
138.98056	3.3
150.98029	3.3
158.92552	16.1
174.98045	0.5
176.93579	1.4
192.99109	1.6
204.99234	0.5
211.00125	4.7
214.89247	0.4
240.98972	0.7
241.01212	8.8
272.95749	5.0
280.02307	1.6
305.01892	0.7
320.97873	2.1
323.02866	53.5
324.03223	1.7
384.98468	3.9
402.99332	1.3
565.04828	16.1
566.05212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68763	1.0
59.01377	4.0
59.48500	1.2
60.65110	1.1
60.99308	18.5
63.64185	1.0
69.10428	3.3
69.10832	4.8
71.01387	1.4
85.02936	1.8
88.98813	100.0
94.70302	1.1
101.02430	1.4
110.00083	2.5
113.02433	5.5
142.20526	1.1
142.37715	1.0
165.99149	1.6
167.03555	1.2
175.02480	3.1
205.96954	1.2
228.35420	1.1
284.03293	19.0
299.05615	26.1
300.05927	1.5
359.14771	1.7
360.15509	2.3
361.16513	6.4
475.08978	1.2
565.22534	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	565.084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
60.99315	20.5
61.96175	1.4
69.66341	1.8
69.66697	4.5
71.01389	3.0
85.02970	2.6
88.98814	100.0
95.01460	1.4
95.76086	1.3
99.00901	1.3
109.57825	1.3
110.00122	3.1
112.81527	1.4
113.02444	6.8
123.04496	1.4
137.91142	1.2
152.01137	1.4
167.03566	2.2
175.02509	3.2
191.97089	1.5
284.03299	17.2
299.05600	26.8
300.05872	1.7
313.14371	2.1
343.15552	2.2
359.40369	1.3
360.15250	1.8
361.16440	6.1
475.09201	1.7
565.23151	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	565.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23145	1.8
52.07883	1.7
53.93061	1.7
56.61687	1.7
62.34807	1.7
65.00328	4.9
68.99826	2.0
69.14096	12.3
98.21841	3.2
110.00101	4.5
121.02957	2.6
121.54570	1.7
134.02525	3.0
136.00438	2.3
143.01416	2.3
143.05037	41.7
143.06094	3.7
144.05423	1.8
145.02960	18.0
151.02780	2.5
152.03545	4.8
163.00351	9.4
164.98286	2.0
171.01030	2.3
171.04538	7.7
173.06052	2.8
184.05341	2.9
187.00385	5.4
187.04027	34.2
196.05388	2.4
198.03186	4.1
211.04060	2.2
216.00685	4.2
221.86331	1.8
224.04649	2.0
227.03600	3.0
232.05379	1.8
239.03499	19.1
242.08240	8.1
242.99353	4.0
253.05055	3.3
260.04825	2.6
261.05676	3.4
265.05219	2.5
266.02295	2.7
267.03021	22.0
268.03778	80.9
269.04401	7.6
270.07715	13.6
270.98871	3.2
273.05679	3.4
276.04327	3.3
277.04980	8.7
280.03622	3.2
283.06155	62.1
284.06528	4.1
287.03271	2.4
288.04440	3.6
289.05124	6.9
291.02838	2.3
293.04517	4.2
294.07764	5.3
301.05145	6.6
308.03027	11.3
310.10849	3.9
316.03949	9.3
317.04498	10.0
319.02365	2.2
321.04047	4.4
323.05646	3.1
329.04425	3.9
333.04138	11.3
344.03217	10.6
345.04050	51.2
347.01993	8.0
352.08331	3.4
361.03506	8.0
372.03018	4.5
373.03519	100.0
374.04218	21.4
376.05753	2.3
377.06607	2.2
386.04190	2.5
388.05920	31.0
389.02310	19.0
389.07513	15.8
393.10989	2.0
400.02280	28.1
404.05505	14.2
413.02939	2.5
414.03876	6.9
415.04630	14.9
419.07782	24.5
447.08951	2.2
462.07434	5.0
465.09830	3.3
474.07651	4.2
489.10098	2.6
490.06973	6.1
491.07828	6.7
497.12845	4.2
505.09308	13.3
506.09949	2.2
507.07343	4.1
518.06464	16.5
519.06940	5.5
533.08856	17.9
534.09595	92.7
535.09686	6.8
550.09058	30.7
551.09644	2.6
565.11243	63.7
566.12701	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	565.1144
Annotation	Ochnaflavone 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
56.80078	1.0
57.45228	0.8
61.08996	0.9
65.00323	5.2
67.01888	1.5
68.99816	3.8
71.92855	0.8
81.63023	0.8
89.00362	1.3
92.99802	0.9
95.04914	1.0
96.99318	1.4
117.03468	1.3
122.83189	0.9
136.98822	6.0
139.00438	1.3
145.02982	1.2
147.00900	1.3
152.01181	1.4
161.02472	1.2
163.00368	1.6
164.98314	15.8
166.99814	1.4
169.06453	1.1
171.04475	3.3
173.06078	2.6
185.02396	1.2
187.00403	2.3
188.98286	1.2
189.01877	0.9
190.99904	1.4
213.01863	1.5
214.99982	1.3
215.07156	1.9
218.11246	0.8
218.99373	5.2
221.06030	1.0
225.05540	2.0
229.01405	3.4
232.00063	1.2
238.99864	2.2
239.07275	1.6
241.01474	1.2
241.05029	1.2
242.99347	1.1
243.06590	6.7
249.05615	1.3
251.07059	1.3
253.05042	1.9
255.06470	1.2
257.00867	2.1
265.05008	2.7
266.99454	2.1
267.06680	2.6
269.01486	1.3
269.04544	27.2
270.05017	1.4
270.07724	1.4
271.06116	22.7
272.06442	1.5
277.05121	2.0
279.06683	1.5
283.06183	1.1
285.00412	7.7
291.06573	1.6
293.04535	3.9
294.98846	12.2
295.06067	2.2
305.04504	1.2
307.06097	4.3
311.05524	3.8
319.06146	2.0
321.04123	1.4
321.07632	1.5
323.05582	8.0
347.05695	5.9
349.03586	14.3
349.07385	1.1
361.16800	1.2
365.06543	1.4
375.05109	2.4
391.04584	11.7
393.06061	3.1
399.05164	7.0
401.03049	4.4
417.06253	3.0
419.04288	5.8
461.05136	2.0
479.06180	2.0
495.10995	7.6
523.10480	2.8
565.11432	100.0
566.11682	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	565.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03455	12.4
58.77100	1.1
59.01382	6.4
59.93638	1.2
61.98835	3.8
71.01396	3.5
71.43374	1.3
73.02946	1.2
75.00893	2.3
78.55991	1.0
78.95920	1.7
83.01401	4.7
85.02959	100.0
86.03254	1.2
88.98803	1.7
89.02458	1.6
89.42047	0.9
96.95986	1.6
96.96991	1.1
106.00587	1.3
109.02981	1.2
111.00893	13.0
113.02473	4.2
117.03451	2.5
121.02962	16.7
123.00953	2.0
129.01962	43.7
130.30164	1.0
133.03024	1.1
134.03769	10.9
135.04514	1.6
137.02400	1.4
138.03293	2.1
139.00334	1.0
143.09351	1.0
147.03029	11.0
149.06136	1.5
153.05574	8.2
160.01682	3.7
161.02403	1.1
165.78780	1.1
172.66920	1.0
173.00935	15.8
175.03967	6.4
178.02731	1.1
182.02213	1.5
191.01981	8.7
193.05101	10.6
197.04588	26.4
197.62457	1.3
204.92285	1.4
241.02734	1.3
261.07724	3.2
265.07166	2.9
303.07651	1.4
323.07654	1.8
327.07376	2.0
359.06693	1.7
371.06192	2.9
389.07245	2.9
389.17542	1.6
403.05688	3.6
461.36166	1.2
565.10925	11.3
565.20691	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	565.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54777	0.5
59.00342	0.4
59.01378	2.2
69.04435	0.4
69.16234	2.2
69.16632	0.9
71.01379	1.9
73.02958	0.7
73.03385	0.4
78.01114	2.5
79.43520	0.4
79.76276	0.4
85.02956	1.0
88.01470	0.5
89.00329	3.7
91.01898	1.4
95.01398	1.6
99.00832	0.5
101.02471	0.6
101.34365	0.6
106.00611	3.8
111.00884	0.8
112.25790	0.5
113.02478	1.3
119.01380	1.3
121.02969	42.5
122.03339	0.6
123.00901	10.3
127.00464	0.7
134.03777	1.1
135.04491	1.3
136.98819	0.8
138.03230	7.7
139.00327	0.6
141.01892	0.5
147.00879	2.0
149.02454	4.0
151.04010	0.7
153.05586	28.0
154.02708	0.5
163.04008	1.8
164.04811	4.3
165.01825	0.7
166.32446	0.4
166.99881	8.5
175.00400	8.6
179.07187	1.1
182.02228	27.3
190.02733	27.7
191.03432	1.0
193.01552	0.5
197.04564	100.0
198.04935	2.2
205.05069	36.0
206.05435	1.4
207.02997	0.9
208.03766	1.1
217.01611	0.5
223.06165	6.8
232.03741	0.7
239.31982	0.5
247.06036	0.8
269.24219	0.5
277.49863	0.5
285.03906	0.7
318.04752	1.2
320.28531	0.5
322.43689	0.7
337.05707	3.3
352.07990	5.2
360.15387	1.0
361.16281	2.2
367.10349	41.1
368.10681	2.0
369.61133	0.5
426.71014	0.5
469.18051	0.6
487.18546	0.9
493.20041	1.0
505.19818	0.8
535.20825	0.8
565.23047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17500	1.1
52.28191	1.1
59.01385	62.1
69.96360	2.6
69.96757	2.5
71.01375	3.3
74.52099	1.3
75.00884	1.8
80.38211	1.3
85.02952	1.8
92.58860	1.2
103.00383	100.0
105.01953	9.2
113.02441	4.6
132.53264	1.2
135.04535	3.9
153.05534	1.2
178.79362	1.3
197.04604	1.5
354.60022	1.3
379.56021	1.2
461.16687	13.2
483.13712	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	565.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45441	1.6
60.99308	13.6
61.98828	1.7
72.69637	1.5
88.98811	100.0
89.02446	3.6
103.40386	1.3
119.61209	1.7
141.61943	1.5
228.66154	1.3
285.03903	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	565.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.5
62.04146	0.2
63.02395	0.3
65.00332	1.9
69.03406	0.2
69.10592	1.3
71.01388	1.8
71.05173	0.2
72.99338	0.5
73.02963	0.7
76.75063	0.2
83.01389	0.6
85.02962	1.0
89.02449	1.3
91.01902	11.1
95.01382	0.7
98.21871	0.5
99.00889	1.9
101.02449	0.6
101.60847	0.3
108.02187	6.6
109.02976	0.4
111.00896	0.9
113.02462	1.2
117.03537	0.3
119.03494	0.4
123.04536	33.2
124.01730	0.5
124.04855	0.5
125.02473	0.4
143.03491	0.3
150.03215	0.6
152.01146	4.5
160.01656	0.4
165.05659	0.5
167.03513	100.0
168.03864	2.1
175.04016	0.8
210.33951	0.3
227.07097	0.3
264.60413	0.2
311.67474	0.3
328.05780	0.5
337.09167	0.3
343.08237	0.7
361.16495	2.0
505.33817	0.4
565.19116	0.9
575.23285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2294
Annotation	5alpha-Decinnamoyltaxigifine
Peak:m/z	Relative Intensity
55.01868	0.6
57.03442	1.0
59.01385	18.2
71.01389	8.3
72.78392	0.5
72.99300	0.7
73.02956	2.2
82.95395	0.5
83.01412	2.3
84.95128	4.9
85.02956	5.4
87.00861	1.0
89.02457	1.7
93.03481	0.9
95.01416	1.8
97.02969	0.6
97.62448	0.6
99.00871	0.9
101.02448	3.6
109.02979	1.9
113.02458	4.2
121.02987	6.7
122.03757	7.2
123.04538	2.0
124.01695	0.6
125.02425	0.8
135.04529	1.5
136.05327	1.0
137.02467	0.8
147.04521	3.4
149.06102	0.9
150.75146	0.6
161.06059	2.4
162.06894	1.1
163.03960	0.7
165.05582	9.7
175.07668	0.6
179.07161	3.1
189.05534	0.9
191.07188	1.1
233.08153	0.6
238.10052	2.6
248.00636	0.5
253.08849	0.8
253.12344	0.7
255.10196	0.8
258.12585	0.7
266.09668	0.8
281.11649	0.8
282.12540	1.1
283.10159	0.6
284.10565	4.3
285.11340	0.8
297.11328	1.3
298.12167	1.7
299.12863	3.2
310.12131	0.8
313.10989	0.9
313.14462	2.6
315.12497	1.0
317.13861	1.5
328.13156	15.0
328.16782	1.0
329.13666	2.2
331.15524	0.9
343.15570	6.6
346.14301	4.0
347.15057	1.0
361.16589	100.0
362.16925	4.3
498.99350	0.5
505.20847	50.6
506.21021	3.4
523.21924	20.0
524.22528	1.4
565.22974	14.7
566.23560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	91.4
63.87852	8.3
69.88818	21.3
69.89147	9.6
73.32422	9.2
87.04523	100.0
97.02977	11.3
98.22013	15.3
109.52770	9.1
113.06077	9.5
115.04014	62.7
115.07683	10.8
115.90215	9.2
116.92860	31.8
181.62573	8.9
266.10849	8.7
273.15076	11.6
376.95914	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	565.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27297	2.1
59.01386	61.9
60.81433	2.1
65.00333	5.3
68.99814	2.5
69.65606	9.5
76.74194	2.2
85.06595	8.4
95.01386	2.7
96.00928	2.3
96.96027	2.7
108.02203	5.1
108.04717	2.8
111.00868	3.3
113.06097	47.8
115.03938	2.9
119.08656	12.7
121.02918	3.5
124.01672	8.6
125.02498	6.0
135.04509	3.1
139.00357	5.2
139.04016	12.0
152.01155	4.2
157.05063	6.4
162.83963	3.2
163.00562	2.3
163.07666	30.8
175.99893	2.3
191.75278	2.9
225.05624	4.7
227.14442	2.8
229.15991	5.5
242.08302	5.8
243.06618	20.0
253.05159	3.6
255.13928	12.9
269.04550	4.7
270.07748	13.6
271.06088	65.7
271.08655	4.5
273.14972	100.0
274.15390	3.3
280.05994	3.3
311.16934	2.6
322.07263	4.4
323.07730	3.4
347.18613	27.6
355.10135	3.1
404.07101	2.8
407.20450	5.7
443.06104	4.8
449.91937	2.5
486.05933	2.4
547.12311	6.6
565.13678	17.5
566.14233	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	565.2661
Annotation	Glabcensin O
Peak:m/z	Relative Intensity
55.01862	0.8
57.03442	0.5
59.01385	33.8
65.78726	0.4
69.03461	0.9
71.01388	8.3
71.41995	0.5
72.33342	0.5
73.02952	13.7
81.03454	0.6
83.01395	2.7
85.02952	3.8
87.00889	1.3
87.29269	0.4
88.11342	0.4
89.02438	2.6
95.01392	0.9
96.00999	0.4
97.02964	1.0
97.06612	0.5
99.00881	1.0
101.02454	9.6
109.02969	1.5
111.00845	0.5
113.02470	3.7
117.03483	0.7
119.03518	0.8
121.06564	0.4
123.00896	0.5
124.01663	0.7
127.41943	0.5
135.04507	0.5
137.02457	4.4
138.03226	2.8
160.73586	0.5
174.08900	0.6
187.11368	0.5
193.08699	0.6
283.10788	0.6
314.25073	0.5
327.15936	1.0
333.20718	2.8
343.15271	0.9
343.19174	10.8
344.19504	0.6
361.16321	1.2
361.20288	1.1
372.16418	0.7
403.00528	0.5
477.24796	1.8
490.19830	0.6
495.26315	1.1
505.25092	1.8
505.34265	0.7
521.05249	1.1
523.25555	2.4
534.18958	1.3
565.26587	100.0
566.27002	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	565.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77654	11.0
54.75843	9.1
69.08887	57.3
87.04494	16.0
98.22610	26.6
101.06095	90.7
113.06069	41.3
115.04017	89.1
115.07661	90.9
119.08675	11.5
125.06215	11.1
141.08897	9.1
143.07144	30.6
163.07681	32.0
171.06598	24.3
229.15901	13.7
273.15054	100.0
285.12979	9.3
311.97458	12.8
388.42236	12.4
445.22482	14.7
522.36200	12.8
565.27771	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	565.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53763	17.5
57.17497	17.8
59.01367	64.4
61.98827	37.9
65.16439	18.7
65.22995	18.4
68.09737	17.9
69.17490	68.4
69.17896	41.1
77.59999	17.5
78.95928	33.4
117.03458	62.2
119.05038	38.0
135.04539	42.7
253.09337	27.0
293.21317	51.8
349.10965	100.0
437.70731	24.5
565.26746	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	565.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54962	0.6
59.01387	100.0
61.98835	2.7
62.49766	0.6
78.01408	0.5
78.95916	0.7
87.12597	0.6
96.96028	0.8
103.63336	0.5
104.56225	0.6
112.27120	0.7
117.03481	0.8
119.05104	1.0
135.04556	1.0
191.15636	0.6
244.88454	0.6
263.07468	1.0
297.86130	0.8
301.21771	41.7
302.22247	1.8
317.21414	2.3
502.16467	1.0
534.19354	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	566.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	2.5
68.99803	0.7
70.31248	0.8
73.02971	0.5
74.15935	0.4
93.03431	0.7
94.74435	0.3
95.01377	2.0
96.99306	0.5
105.84619	0.4
108.02183	0.9
111.00903	2.8
123.00897	1.7
124.00850	0.7
124.01685	8.2
136.00426	0.5
136.01675	1.7
136.98795	3.2
139.00381	5.6
145.01411	0.5
152.01164	5.3
157.06567	1.2
161.56613	0.4
162.99170	0.4
163.99934	0.5
165.00635	0.4
166.99849	3.2
171.04524	0.6
171.08180	0.7
173.06058	1.9
175.99995	0.4
180.00629	0.7
181.06596	1.1
185.06084	1.4
193.01398	0.8
197.06194	0.6
199.07645	1.0
201.05676	0.7
209.06061	0.9
225.05574	4.1
227.07158	2.5
229.05002	0.6
242.08200	1.9
243.06631	27.6
244.07028	1.1
253.05086	5.8
254.05620	0.6
255.06606	0.7
261.21570	0.4
267.06500	0.5
268.06256	2.2
270.07721	3.2
271.06134	100.0
272.06439	3.4
280.06210	0.7
294.07739	1.4
296.05490	0.4
322.07190	1.4
382.11160	0.6
476.14819	0.6
486.13556	0.7
522.11798	3.2
523.12836	3.0
548.13562	1.7
566.14410	4.2
572.44196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56001	1.6
64.01925	2.3
65.00315	6.1
65.09467	1.8
65.99839	6.5
68.99818	3.4
69.17676	10.8
71.18391	1.8
95.01408	3.6
96.00945	3.5
97.02962	2.1
106.02990	2.3
107.31433	1.9
109.02964	2.0
110.00095	2.3
110.02475	2.2
111.00880	2.9
120.00895	3.2
122.00143	2.3
123.00877	3.1
123.03297	2.2
134.02478	4.5
135.03247	6.1
136.00401	12.7
136.98749	2.2
138.01900	2.6
149.99539	3.8
150.01984	3.1
151.02713	4.9
155.02199	2.3
163.00403	2.8
163.99902	17.8
165.00638	3.9
166.01466	3.8
169.06561	3.0
171.04526	7.3
173.06023	5.1
174.02017	4.1
175.99838	4.8
177.01944	2.6
181.06601	3.3
190.01495	2.2
190.99777	2.4
192.03079	4.6
200.07155	2.0
213.05600	4.6
215.02069	2.6
218.00963	3.8
223.07542	2.6
225.05643	3.0
226.08736	2.6
227.07121	6.7
228.06616	2.1
238.05177	3.2
240.06700	11.3
242.00920	3.6
242.08197	33.0
243.06578	7.4
251.07086	3.1
252.06647	5.0
253.05080	12.7
254.05847	8.6
255.06622	24.2
259.01282	2.5
265.04947	1.9
266.04639	2.4
266.08121	3.1
267.06613	5.0
268.06149	78.4
269.04355	4.4
269.06866	7.0
270.07733	93.1
271.05994	19.7
278.08173	2.1
279.06497	1.9
280.06076	14.5
294.07755	8.2
295.05960	12.8
296.05753	3.9
297.07639	8.8
298.07227	2.2
306.07483	2.7
320.09137	2.7
322.07227	35.4
334.07318	2.4
346.07153	3.8
348.08850	4.1
357.40201	2.0
376.08188	3.8
390.06097	6.7
415.54922	2.0
416.07895	3.3
418.05750	2.8
444.07272	2.7
458.62469	2.2
486.13599	2.5
495.20148	2.1
504.14813	3.5
522.11932	100.0
523.12708	77.2
524.12988	3.4
529.83636	2.2
548.13568	25.7
549.13806	3.0
566.15247	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	566.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.13102	0.3
69.34392	1.7
78.34564	0.3
78.95919	0.6
91.96394	0.3
112.19026	0.4
122.27163	0.3
134.08168	0.3
135.37442	0.3
145.20428	0.3
158.20976	0.3
175.52881	0.3
207.05222	0.6
217.99596	0.3
485.90402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38146	0.2
59.12315	0.2
60.83513	0.2
61.98836	100.0
68.46958	0.2
68.91058	0.2
69.68781	0.9
83.13832	0.2
95.71272	0.3
98.86728	0.2
99.61219	0.3
119.29734	0.3
149.01445	0.2
170.95200	0.2
193.52817	0.3
396.32819	0.2
566.16095	0.3
572.55939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	31.6
68.38417	8.4
69.87646	10.0
69.87999	29.7
70.15276	9.5
74.02454	11.9
86.02473	12.7
87.02882	8.6
98.22663	15.5
99.05636	19.5
99.87074	9.8
112.04002	9.8
125.03630	12.9
127.05142	16.4
128.03555	70.5
131.31026	9.2
135.05615	10.9
143.04562	17.8
151.58600	9.8
153.06702	19.0
179.04663	21.3
320.09122	19.4
500.14514	22.5
518.15649	29.9
566.16187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53391	11.6
57.20121	11.4
58.65389	10.5
59.01371	26.4
61.98827	40.1
71.01373	17.0
75.72623	13.0
79.86483	11.2
93.03469	20.0
95.95837	11.7
112.39858	11.3
113.19151	12.6
119.05080	17.3
122.02483	18.5
149.02493	31.4
150.03264	92.3
151.03549	12.3
165.05565	100.0
166.05920	46.9
195.06627	40.9
196.06955	29.0
209.59967	12.9
220.15198	12.9
287.59390	12.0
290.92538	13.8
312.09753	13.9
339.08609	23.3
340.09079	24.9
355.11691	15.8
369.13379	32.5
370.13846	50.8
566.22083	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	567.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74043	8.3
59.01375	17.8
64.13765	8.0
66.66911	7.3
91.65952	7.4
96.96079	10.8
113.07198	9.8
114.59354	12.1
119.05018	11.6
164.98338	12.2
211.04146	12.8
253.63309	9.6
267.03046	13.9
268.03763	100.0
269.04385	25.8
281.04590	12.8
283.06183	88.0
284.06363	10.3
322.07269	11.3
325.07269	28.4
536.10071	32.8
567.30249	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	567.1301
Annotation	taiwanhomoflavone-B
Peak:m/z	Relative Intensity
57.17870	0.7
61.98815	0.9
63.57504	0.7
65.00331	5.0
65.99851	4.8
68.99835	1.0
69.31844	1.0
69.32129	3.6
78.01113	1.7
79.01907	1.9
82.06185	0.7
83.01406	1.0
92.30054	0.7
95.01393	3.3
108.02171	0.8
110.00126	2.5
111.00898	5.4
117.03440	0.7
118.17891	0.6
123.00912	2.8
124.01666	11.0
136.01674	2.5
136.98810	5.8
137.02457	0.9
139.00398	9.2
146.20955	0.7
151.00374	1.9
152.01155	9.1
156.00600	0.7
157.06587	2.1
163.00385	7.6
164.98328	0.9
165.99057	3.3
166.99895	4.6
167.04916	0.8
167.15005	0.7
169.06480	1.0
171.04500	1.7
171.08194	1.1
173.06076	3.3
175.99881	4.4
177.99127	0.9
178.99905	2.0
181.06590	1.5
184.05318	2.3
185.06055	2.1
193.01416	0.9
196.05272	2.4
197.06056	1.5
198.03201	2.2
199.00409	0.6
199.07771	0.8
201.05591	1.2
203.99467	1.3
209.06184	1.1
211.04008	0.9
211.07907	0.7
212.04620	0.9
223.03961	1.4
224.04723	1.5
225.05551	8.3
226.41924	0.7
227.07114	2.6
229.05084	1.7
239.03523	2.0
239.07198	1.5
240.04321	1.1
243.06622	41.2
248.94359	0.8
252.04306	1.3
253.05113	8.4
254.05638	0.7
255.06680	1.4
267.02972	2.4
268.03784	89.2
269.04285	5.1
270.07956	1.0
271.06131	100.0
272.06458	3.5
280.03751	15.9
280.06290	4.0
283.06137	98.8
284.06485	2.7
295.06134	18.2
308.05652	10.5
376.04672	1.0
377.05307	1.5
378.06088	1.4
388.04523	0.7
406.05518	4.4
438.09778	1.5
552.10590	1.0
567.13000	34.8
568.13043	2.9
587.74548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01412	1.1
62.08932	1.1
70.32236	1.1
72.35269	1.1
72.60244	1.2
91.01896	8.1
93.45762	1.4
108.02189	61.3
109.02966	25.6
123.04545	18.2
132.49590	1.2
152.01166	100.0
153.01953	27.9
154.02284	1.4
156.92238	1.0
158.60837	1.1
163.04008	2.2
167.03505	22.0
175.30595	1.3
207.03114	1.1
212.32861	1.1
213.23514	1.1
241.07034	1.2
363.18109	2.3
399.09329	23.6
417.10422	8.8
567.13599	84.3
568.13989	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	567.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68335	0.4
58.45375	0.5
59.01388	4.1
61.98840	5.6
71.01389	4.5
71.41894	0.6
72.99310	1.4
73.02956	1.0
75.00910	0.8
83.01421	0.5
85.02960	2.3
87.00897	0.6
89.02462	1.9
93.03465	17.1
96.96050	1.1
97.02941	1.0
99.00906	1.0
101.02470	1.7
108.02187	55.0
109.02975	14.7
112.67015	0.5
113.02493	1.8
119.05033	0.7
121.02979	1.8
123.00835	0.5
123.04522	0.5
125.02477	0.7
128.03555	1.3
133.02997	0.7
134.03758	0.9
135.04533	1.3
136.01714	3.1
137.02461	27.7
138.02728	0.6
139.04060	2.6
149.02481	0.7
151.00374	0.8
151.04015	4.5
152.01169	100.0
153.01970	4.0
154.09465	0.5
161.02487	0.7
161.04597	1.1
163.04001	4.3
165.01927	2.3
166.02730	2.2
167.77489	0.5
175.03944	0.5
177.01924	1.2
179.03484	1.5
180.04257	1.0
181.05096	2.1
190.06396	0.6
193.01459	0.6
193.05309	0.6
201.26546	0.5
207.02940	0.8
209.80537	0.6
225.07870	0.9
249.05597	1.3
301.03549	2.1
309.07529	0.6
315.07123	0.6
327.12445	0.9
342.11096	1.0
357.09409	0.8
357.13455	4.2
387.09729	1.3
387.14511	5.0
396.39795	0.5
405.07474	0.5
429.10434	21.9
430.10669	0.7
447.11484	19.2
448.11743	0.8
567.13574	83.6
568.14001	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	567.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38327	2.0
65.00311	5.7
65.99851	8.8
68.99817	2.8
71.00912	2.1
73.37728	2.1
75.80322	2.2
81.03469	6.5
83.01382	2.6
95.01411	4.3
96.00895	2.4
98.21709	3.7
106.03035	2.4
107.01408	3.4
110.02499	3.1
115.93792	2.1
122.02402	2.4
123.03248	2.9
126.02013	6.3
127.05545	3.9
130.70216	2.7
134.02525	5.2
135.03300	5.7
136.00400	8.1
136.04068	3.1
138.01988	3.9
145.06584	3.0
146.02509	3.4
151.00394	3.1
151.02821	2.9
162.01929	3.7
163.99911	6.4
164.03519	2.8
165.00633	2.3
169.06558	3.2
170.45183	2.1
171.04549	10.6
175.99913	6.0
183.08095	2.7
185.06113	2.7
192.03062	4.1
197.06184	2.5
202.01479	2.5
211.07602	7.2
213.05597	6.1
222.21367	2.2
225.05573	21.2
228.06602	2.9
230.00972	3.1
231.06593	4.0
237.05716	2.6
239.03444	3.7
240.06700	4.3
241.05139	5.5
241.43692	2.4
242.08234	39.5
248.11850	2.1
252.06615	3.8
253.05156	4.3
254.08237	11.2
255.06682	12.6
268.03625	2.3
268.06177	33.9
268.09222	4.3
269.04413	8.3
270.07742	100.0
271.08304	4.3
280.06265	14.2
281.04468	2.9
283.06195	4.0
294.07758	3.4
296.05795	4.3
296.09286	21.4
297.06445	12.9
298.07217	44.6
308.05630	5.2
334.07260	5.3
335.08096	15.5
336.08932	4.1
377.07657	9.6
425.63257	2.6
462.13339	2.2
464.14972	4.1
478.12946	3.6
506.12369	19.6
518.13129	2.5
522.11450	2.8
536.13776	33.9
567.13708	3.3
568.15967	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	567.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47841	0.6
54.56335	0.7
63.64137	0.7
65.00324	3.1
65.99845	1.4
68.99796	1.6
69.03469	1.1
69.13968	1.7
69.14369	2.8
70.02977	2.1
82.02984	3.1
83.01384	1.9
83.35614	0.7
93.03487	1.2
94.02962	1.8
95.01396	2.5
96.00927	5.8
97.02960	1.3
98.02483	5.9
105.65342	0.8
106.02984	5.0
107.01395	1.9
110.02494	5.5
121.02943	1.5
122.02503	1.0
123.00903	2.7
124.00443	1.0
126.01968	13.3
133.04074	0.6
136.00414	8.4
137.02448	0.8
145.06554	1.0
150.01938	1.9
151.00377	10.8
157.06569	1.8
163.99893	5.9
165.00685	1.7
166.06444	0.8
167.08659	1.9
169.06610	1.4
170.06149	1.2
171.04532	12.5
173.06119	1.0
183.08148	1.0
185.06082	2.6
192.03056	2.1
193.06554	1.7
194.00951	1.9
202.01540	1.1
209.06190	1.3
210.09265	2.0
211.07671	3.6
212.01991	12.0
212.07201	1.1
213.05545	7.6
224.07220	0.8
225.05566	2.6
236.07097	1.0
237.05615	3.1
242.08276	4.6
243.08653	1.5
248.06932	0.7
252.06526	1.1
253.02620	0.9
254.05873	1.2
254.08235	5.8
255.06635	4.5
268.06177	16.3
269.04306	1.6
269.06903	1.2
270.07727	7.3
271.08389	1.1
273.01642	3.9
280.06137	2.3
281.04581	9.0
294.07709	0.8
296.09518	1.0
297.01617	0.8
298.07227	100.0
299.07526	3.1
334.07193	1.3
359.06219	1.3
377.07809	9.1
459.14233	0.9
460.10220	1.7
461.10889	3.9
463.14102	1.3
477.15573	2.0
487.13968	3.8
505.14795	3.7
523.15942	2.3
536.13385	1.6
567.15399	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	567.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03453	2.7
51.73377	3.0
53.33173	2.7
57.03457	3.0
59.01385	85.5
61.98847	4.6
68.99828	3.0
69.03457	5.9
71.01395	56.0
71.91248	2.9
72.99310	35.4
73.02959	17.5
75.00874	27.7
77.91316	2.9
81.03451	4.3
83.01381	7.4
85.02958	37.7
87.00885	9.1
88.98743	2.9
89.00652	4.3
89.02455	19.8
93.03474	3.8
95.01422	4.2
96.96018	12.1
99.00878	7.3
100.39962	3.0
101.02436	13.4
103.00397	16.9
113.02457	57.8
121.02962	3.8
125.02486	7.1
131.03493	10.1
133.01437	3.4
134.03760	5.4
135.04524	4.5
137.02469	4.4
145.75665	3.1
149.02467	3.6
149.06070	3.9
155.03465	5.9
161.02414	3.8
175.02454	8.9
178.02745	5.0
179.03555	3.8
193.03537	100.0
193.05074	9.8
197.04501	4.2
244.02461	9.8
269.04529	8.9
277.88803	2.7
285.04071	16.5
371.15326	3.3
397.09851	48.1
463.23428	3.9
523.20361	52.2
523.27466	6.3
537.17712	3.9
566.86206	3.7
567.11530	24.6
567.24341	14.1
568.08746	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	567.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27596	1.2
57.03453	1.3
59.01384	76.3
70.33511	2.6
71.01389	42.9
79.95744	2.7
83.01387	1.5
85.02962	5.9
87.00871	1.5
89.02455	58.8
95.01401	2.2
98.22585	1.4
101.02446	22.1
108.02173	1.7
109.02946	2.0
111.41667	1.3
113.02460	16.1
119.03516	26.0
123.00837	1.6
131.03516	2.4
133.03003	1.5
136.01675	59.9
139.00385	1.7
143.03503	4.6
146.03720	1.9
149.04593	2.5
151.00389	5.3
151.04021	100.0
152.04346	2.3
160.05284	2.8
161.02470	8.7
161.04590	2.6
165.01974	2.8
166.02708	13.1
167.03477	1.7
175.03986	8.1
177.01956	2.3
177.05484	1.5
179.03485	2.3
179.05688	9.1
179.07088	1.9
181.05087	18.4
189.05566	1.5
190.06396	9.5
192.04335	2.4
195.06660	3.4
205.08710	14.9
207.06567	2.8
225.07858	2.3
236.97919	1.5
251.56267	1.3
265.99319	1.4
278.05774	2.3
293.08218	4.6
294.05515	2.4
294.70999	1.5
297.07712	2.8
308.10486	2.9
309.07748	7.0
312.09949	2.2
323.09210	1.5
324.10007	3.7
325.77304	1.4
327.08682	2.0
327.12308	5.2
339.08774	2.1
339.12369	13.0
342.11057	1.5
357.09033	2.9
357.13458	45.1
358.14029	1.7
369.13416	13.2
375.14975	2.6
387.14490	5.9
405.15390	1.7
431.10632	1.5
449.19205	1.6
549.15863	1.9
567.19611	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	567.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33842	4.6
63.78565	4.9
69.16795	33.5
78.91882	12.2
84.43067	4.7
96.96024	13.2
98.22643	8.5
117.05582	32.7
121.02962	100.0
159.34796	5.0
169.89899	4.7
221.08281	6.3
245.34680	5.2
265.14804	8.6
271.64734	5.2
344.78918	5.5
567.25775	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	567.2441
Annotation	Fischeroside C
Peak:m/z	Relative Intensity
54.95322	0.2
55.34563	0.2
59.01385	2.2
65.99839	0.3
69.16716	0.5
69.17120	0.5
71.01372	0.6
72.99284	0.2
73.02949	1.2
74.99093	0.3
83.01403	0.2
92.24847	0.2
101.02440	0.5
104.68647	0.2
123.00951	0.2
128.05132	0.3
164.98225	0.3
167.03427	0.3
170.06113	0.3
191.03552	0.2
204.04272	0.3
205.05031	0.2
217.05035	1.4
218.05847	1.1
219.06715	0.3
231.06696	0.3
243.06664	0.4
244.07593	0.2
245.08284	0.2
248.07086	0.3
249.07648	0.6
261.04929	0.2
261.07684	3.4
262.08459	1.1
263.09244	0.7
269.11923	0.4
271.09842	0.9
272.63031	0.2
275.09421	0.3
285.11292	1.3
286.12067	1.0
287.09894	0.2
287.12677	0.9
300.13693	0.4
301.10965	0.2
301.14462	4.7
302.14941	0.3
303.12411	0.2
311.12909	0.2
312.13705	0.3
313.14453	0.7
315.12363	0.9
316.06235	0.3
317.05014	0.4
319.15497	0.7
327.15952	2.4
329.13861	0.9
330.14709	0.8
331.11551	0.3
331.15530	5.5
332.15921	0.3
339.05292	0.2
343.15515	0.3
344.05545	0.5
345.17084	13.3
346.17615	1.3
361.16714	0.2
363.18121	2.5
405.19250	1.7
420.12460	0.2
448.12122	0.8
481.20993	0.4
492.10849	1.1
507.22433	0.9
522.21240	0.3
523.21875	0.9
525.23346	1.2
549.23334	0.3
567.24475	100.0
568.24817	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	567.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63984	0.8
72.69173	0.7
75.08306	0.8
87.04523	100.0
114.69875	0.8
115.03210	1.4
115.04022	26.7
115.23875	0.8
121.02965	19.7
127.16970	0.8
130.56946	0.7
133.64038	0.8
149.66670	0.7
213.25334	0.7
265.14713	1.2
279.18475	0.9
310.31650	0.8
341.78247	0.9
469.22528	0.9
539.26379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34716	1.2
59.01370	5.5
61.98824	5.8
63.02397	2.7
65.00329	22.1
67.76180	1.3
71.01373	2.9
83.01398	7.0
85.02956	1.3
107.01406	21.3
113.02474	3.3
117.03481	9.7
119.05021	3.7
125.02450	2.6
151.00385	63.4
169.01437	1.4
199.03935	2.4
226.05116	3.3
227.03537	5.0
227.81198	1.3
242.04529	2.1
254.04541	9.4
255.02939	2.5
278.04446	6.2
279.05469	1.7
280.03821	1.9
285.03860	1.6
295.04947	2.1
296.05679	5.8
298.03598	4.2
405.02597	1.7
407.03983	2.3
416.07773	69.9
417.06964	5.4
442.05743	2.5
568.08875	100.0
569.08246	16.0
569.26770	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	568.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72346	4.9
65.00321	18.6
65.99858	11.8
68.99832	8.7
69.21815	18.3
73.02959	62.3
78.32009	4.8
83.01377	6.3
96.99317	10.6
98.00110	16.7
101.02451	58.6
101.21355	5.5
107.01394	6.6
107.04943	4.9
108.00907	4.8
112.98799	11.0
120.00917	5.5
121.14477	4.6
124.98808	20.3
129.01936	40.0
134.02483	6.2
136.00441	21.9
136.10918	4.4
143.05054	6.1
145.06659	8.2
146.02515	6.7
151.00398	11.4
157.01483	12.2
162.01999	5.9
163.99905	20.6
166.06602	9.1
167.03677	4.7
167.05022	22.1
169.06638	15.1
170.82242	4.4
171.04536	15.0
173.06113	5.8
183.04535	19.1
185.00946	19.6
190.06696	11.1
192.03143	5.9
206.06038	5.1
211.03967	18.6
212.07108	5.0
213.05560	18.1
216.03024	5.4
220.07745	6.7
224.07278	6.1
227.07124	7.6
228.06705	5.7
234.05650	20.2
236.07114	7.0
242.06129	6.1
242.08151	29.1
243.06688	43.4
245.32840	5.6
248.07227	7.5
252.06714	8.6
255.06659	87.1
256.06116	20.5
268.06186	77.1
270.07733	93.8
271.06122	36.0
276.06625	7.5
278.04697	30.3
280.06171	21.2
284.05637	36.8
288.06509	4.8
299.05600	20.6
306.04184	67.7
306.07449	5.4
308.05734	6.2
316.06155	5.2
322.07211	17.9
326.10626	5.6
344.05444	7.9
354.09863	11.1
366.11185	7.8
382.10718	13.7
384.12329	16.7
384.85278	4.7
394.10953	8.9
410.10342	100.0
412.11935	48.4
420.12347	13.5
438.09903	6.5
452.11279	6.1
464.11456	8.6
480.10837	57.4
492.11258	24.1
512.13873	6.6
524.13434	11.0
536.09784	15.7
540.13025	61.4
568.12738	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	568.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28377	3.0
58.92998	3.0
58.95380	3.5
65.00339	4.2
65.99856	52.1
68.01419	2.7
75.25784	3.0
98.22677	10.9
102.43022	3.4
105.15750	3.0
120.99288	5.0
128.05095	32.6
140.88480	3.1
163.00418	5.7
170.06100	49.6
173.06026	16.1
188.98265	8.8
193.06642	3.6
200.87877	3.3
220.07811	5.7
221.06143	4.8
222.05765	3.1
232.07790	5.3
234.05597	17.4
236.07047	3.1
246.05663	4.3
248.07240	16.9
260.07120	5.6
264.06705	5.2
265.05051	12.3
267.06619	4.8
272.07184	7.9
274.05341	3.7
276.06662	9.3
277.63235	3.2
288.06696	8.4
292.06049	6.2
293.04358	7.6
295.06052	16.5
300.06720	9.0
316.06168	21.3
321.04141	15.9
339.05072	33.3
344.05664	39.0
358.07068	3.0
380.12820	4.7
386.06610	4.3
388.04584	20.0
404.12811	8.7
406.10764	6.8
420.07458	6.6
420.12451	20.6
430.10971	3.8
448.11887	87.3
449.11795	3.9
492.10931	100.0
493.11417	6.8
524.13605	8.2
568.24597	7.2
580.43842	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	568.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24465	5.1
59.01364	4.2
65.92654	4.9
65.99856	54.4
69.09386	27.7
71.01393	13.5
73.40105	4.4
94.02995	6.2
98.22586	11.0
101.02486	4.7
108.02190	22.0
108.40923	4.7
113.02449	4.8
120.99307	5.5
124.45506	3.9
126.11316	4.1
128.05074	46.0
145.06610	4.4
160.98802	6.6
161.04596	9.9
170.06166	47.4
173.06107	14.3
188.98404	6.7
216.97797	6.0
220.07834	4.3
221.06152	5.8
234.05650	17.8
242.38951	4.5
244.07750	5.2
248.07166	27.4
265.05112	16.3
267.06549	6.8
272.07257	6.1
276.06622	8.0
288.06665	8.8
293.04507	17.4
295.06207	15.7
300.06711	12.8
316.06183	30.6
321.04086	16.4
339.05057	20.7
344.05655	55.2
388.04608	14.0
420.12521	23.5
448.11993	71.4
449.12216	7.2
480.14886	6.1
492.10947	100.0
493.11417	5.4
524.13336	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	568.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00332	2.4
58.25108	2.5
65.00327	2.9
65.99856	56.0
69.87016	4.5
69.87346	4.9
85.48745	2.3
86.48069	2.3
128.05078	45.5
149.58661	2.5
160.98889	4.3
163.00424	4.9
170.06136	46.8
171.04459	6.2
173.06094	8.9
184.00345	3.2
188.98305	11.3
206.05951	3.2
220.07744	6.6
221.06151	4.1
232.07715	5.6
234.05591	20.3
237.53204	2.3
244.07730	4.4
248.07199	19.4
260.07153	5.8
264.06674	3.9
265.05154	13.4
267.06662	5.2
272.07254	10.4
276.06650	14.1
288.06772	14.2
292.06223	10.9
293.04565	12.5
295.06152	14.0
299.05820	2.5
300.06711	9.2
316.06195	26.8
320.05627	4.7
321.04041	16.3
332.05746	3.1
339.05142	25.9
344.05618	40.6
355.15152	2.5
357.06290	2.9
361.05795	2.8
362.06693	4.8
362.11377	2.4
376.13330	2.9
385.06064	2.6
388.04526	15.4
392.12997	4.7
404.12738	5.2
406.10791	8.5
420.07434	4.5
420.12357	22.4
448.11932	74.3
449.12317	5.6
480.14432	3.6
492.10919	100.0
493.11075	5.9
520.11499	2.5
524.13654	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	568.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37782	2.1
53.51839	2.0
65.00336	3.9
65.99855	42.2
68.99812	2.2
69.05305	3.7
69.05704	15.1
71.66791	1.9
78.84376	2.1
83.81012	2.3
84.42631	2.5
120.99368	5.5
128.05075	36.7
160.00439	2.5
160.98830	4.4
163.00349	5.1
170.06125	39.5
171.04552	2.6
173.06129	11.9
188.98294	6.1
190.99873	2.5
203.56796	2.5
216.04257	2.2
216.97691	2.9
220.07726	3.7
221.33025	2.2
232.07750	2.8
234.05617	13.7
236.07245	2.7
244.07661	3.8
248.01939	3.5
248.07173	16.1
260.07135	8.4
264.06720	3.8
265.05066	11.3
267.06546	5.0
272.07135	6.3
276.06699	9.0
288.06693	8.9
292.06180	8.5
293.04520	9.7
295.06177	12.4
300.06677	10.8
316.06177	23.8
321.04047	12.1
339.05148	20.5
344.05652	37.8
362.06659	3.5
374.11005	2.8
383.09360	2.8
388.04745	18.8
392.12949	3.8
393.11581	2.2
404.12790	6.1
406.10706	6.1
420.12326	18.7
448.11917	63.5
449.12247	3.7
480.14587	3.8
492.10965	100.0
493.11240	6.0
524.13635	6.9
567.24170	7.6
568.25067	12.8
569.06433	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	568.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58782	2.2
55.22826	2.6
64.01897	2.4
65.00323	6.5
65.99847	10.7
68.99805	5.0
70.27602	4.7
74.11035	2.1
83.01401	2.7
89.28006	2.8
95.01389	12.7
98.21961	3.6
106.02980	2.5
107.01380	3.3
108.00914	2.3
108.04592	3.5
110.02490	7.1
111.00899	4.9
112.45390	2.4
117.03543	4.7
119.05028	4.7
120.00950	4.9
122.02501	2.4
123.00906	12.7
124.04047	4.5
126.02009	4.2
131.03778	3.4
131.05011	4.4
136.00403	11.1
136.98813	2.5
137.77017	2.6
138.01967	2.8
144.76756	2.6
145.06616	7.8
146.02449	4.1
150.01990	6.6
151.00383	31.2
157.06580	3.7
159.04541	3.4
162.01973	6.4
163.99928	7.0
164.03505	6.4
165.00671	8.4
165.01918	2.7
166.01469	7.8
169.06573	4.0
171.04590	17.1
173.06104	6.7
174.01964	4.9
175.02676	4.8
175.08563	2.4
175.99886	8.7
179.07352	3.1
183.04539	3.1
183.08165	4.5
185.06100	7.3
186.01871	3.4
190.01453	6.3
192.03078	6.1
193.06592	2.6
194.06100	3.0
199.04059	3.9
199.07613	2.8
200.03622	2.3
201.05602	6.9
203.02193	3.2
203.42926	2.2
209.06215	2.9
210.05466	2.8
211.07689	3.4
212.03535	3.2
213.05589	11.0
218.04520	3.5
224.07072	2.4
225.05672	4.9
226.08691	2.4
228.03171	3.2
231.01750	7.8
237.05487	3.0
239.03572	14.4
240.06677	4.6
241.05048	8.4
242.08263	22.7
245.04610	3.9
250.08775	3.1
252.06635	6.4
253.04974	4.5
254.08250	3.1
255.06590	8.9
262.08765	2.8
268.06180	16.0
268.09775	9.2
269.04477	16.0
269.06982	5.3
270.05035	4.2
270.07730	36.8
278.04715	2.3
278.08191	10.5
280.06210	26.2
294.07907	11.3
296.05878	3.1
296.09283	65.3
297.03964	6.1
298.07327	8.3
299.07724	12.9
318.07666	4.7
320.05585	4.3
322.07428	4.4
332.09164	5.9
334.07144	5.2
335.08023	45.6
336.08801	14.6
346.07068	6.1
348.08652	8.0
350.06711	5.4
360.08820	3.1
364.08310	3.9
376.08203	5.8
388.08405	3.6
404.07755	6.9
421.08069	31.3
422.08530	9.3
433.91428	2.7
464.14798	9.1
474.12958	2.5
480.10913	4.5
492.11237	7.6
508.13922	12.1
518.12286	6.7
536.13733	100.0
537.13770	8.1
550.11487	4.6
568.12000	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70501	4.6
59.31541	4.0
61.98835	36.4
64.14786	4.0
64.99922	3.7
65.00310	8.6
65.99852	14.7
68.99828	8.8
69.87809	7.9
69.88182	6.4
80.65726	4.6
95.01405	7.4
106.83948	4.8
108.04631	4.1
109.57442	5.5
120.00925	8.8
121.01759	5.2
122.02491	5.1
127.05288	4.8
134.02528	9.1
136.00418	11.6
141.07179	6.8
143.05054	6.0
148.00461	6.8
151.00398	6.6
161.02455	9.3
163.02766	7.2
164.03636	4.5
169.06641	8.4
169.99309	4.5
171.04500	29.1
173.06056	4.8
175.99930	18.2
183.08112	6.0
185.06097	6.0
187.02635	5.4
190.01437	5.6
192.03024	8.1
202.01521	6.1
213.05571	15.0
227.07213	7.6
237.05484	6.0
238.04958	5.6
239.03514	25.6
239.07408	4.7
240.06776	5.9
241.04997	7.7
242.08249	25.8
244.02522	7.4
255.06606	42.7
268.06186	28.5
268.09616	6.5
269.06940	9.0
270.07733	49.0
273.02802	9.5
274.08765	5.0
280.06134	41.1
294.07831	16.2
296.05991	10.9
296.09283	88.1
301.02368	16.9
320.05704	10.2
334.07300	6.6
335.08038	99.5
336.08716	33.2
343.17581	4.8
348.08801	58.0
405.08554	13.6
438.10156	5.6
462.12207	9.6
464.43076	4.9
472.34512	5.4
490.13031	5.3
492.11237	13.7
508.14264	34.0
536.13763	100.0
554.10907	34.8
568.16241	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	568.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.24686	1.8
98.22719	0.6
98.48605	0.3
108.98881	0.3
121.77101	0.3
143.95740	0.3
157.68269	0.3
172.02032	0.3
215.34225	0.3
471.35132	1.1
472.35635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.9
61.98843	8.5
65.73944	1.4
66.16427	1.5
66.91495	1.4
69.19501	9.2
71.01395	5.0
72.99314	1.5
73.02954	2.0
74.23561	1.6
74.27630	1.6
74.91358	1.5
87.62229	1.3
96.95978	1.8
97.81110	1.4
101.02468	2.2
106.06667	2.0
107.03781	5.6
113.02504	2.1
116.92838	2.7
117.03463	2.2
119.05035	4.6
120.04523	1.9
121.05339	16.2
122.05325	2.7
122.06150	37.3
132.04568	60.0
134.06134	3.2
135.04550	2.5
135.06900	14.2
136.07684	5.8
143.04665	2.4
147.03287	1.6
149.04890	4.2
150.05626	4.6
151.00348	2.8
152.07187	100.0
153.07469	1.8
158.02531	2.4
160.04100	4.4
162.05586	3.5
164.03519	3.3
164.07164	4.7
166.05119	3.7
167.03549	3.8
167.05867	2.4
168.63470	1.6
176.03566	19.7
180.06770	1.6
190.05142	13.9
191.05888	4.8
192.06726	2.1
222.05455	1.6
223.08974	1.8
236.09659	2.2
237.10448	3.2
238.41368	2.1
239.08289	6.1
239.11913	2.2
239.82613	1.5
246.63765	1.7
251.11961	4.8
265.09793	1.7
267.11435	1.9
279.07864	3.6
280.08499	3.6
285.04117	2.1
293.09378	2.8
295.10855	5.0
296.11490	3.2
297.12466	6.1
311.10455	2.9
312.11179	6.4
313.11868	2.7
323.10355	4.8
325.11798	2.1
327.13449	3.4
341.11444	64.8
342.11859	3.4
355.13071	17.7
356.13797	51.8
357.13889	1.7
388.12775	31.0
401.17368	4.1
404.16211	2.6
416.19739	3.0
445.16251	3.0
460.18997	7.6
492.21613	15.2
504.17331	2.2
524.24011	44.7
525.24695	2.8
536.20563	16.0
538.26483	3.3
568.22888	47.8
569.24017	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	568.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97908	2.2
59.01390	2.4
61.98836	100.0
71.52299	2.0
87.04514	3.4
98.22604	6.3
115.04025	4.2
115.23579	2.4
122.02491	9.2
124.73688	2.0
135.29906	2.3
150.18336	2.0
151.16374	2.0
452.84387	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	568.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11531	0.4
58.27673	0.5
60.94671	0.4
61.98837	100.0
63.89523	0.5
87.04522	6.8
104.88419	0.4
115.04035	3.3
122.02508	3.2
123.02829	0.5
129.55540	0.4
168.57362	0.4
201.48465	0.4
246.68726	0.4
414.98138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
66.19406	0.3
66.64581	0.3
70.06227	0.8
80.35818	0.3
87.04511	0.3
91.13505	0.3
111.43280	0.3
132.36494	0.3
157.08528	0.3
375.36578	0.3
530.57355	0.3
568.10712	0.3
569.23724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
67.04954	0.3
68.44917	0.3
69.40287	1.4
83.35798	0.3
96.42342	0.3
97.27059	0.4
103.98458	0.3
136.41833	0.3
160.24409	0.4
493.65576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26641	0.2
61.95769	0.2
61.98835	100.0
70.05914	0.2
87.04550	0.8
98.22675	0.6
121.02963	0.4
150.40030	0.2
163.58455	0.2
166.56602	0.2
228.55667	0.2
250.77107	0.2
258.45554	0.2
447.03329	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80755	0.3
54.18391	0.3
60.83285	0.3
61.98833	100.0
69.08773	0.4
69.09171	1.9
87.04520	0.6
115.04079	0.5
122.02513	0.9
159.30969	0.3
163.07663	0.4
210.05267	0.3
268.93445	0.3
273.15030	0.6
344.87433	0.3
421.77277	0.3
488.58856	0.4
523.45142	0.3
560.56891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73037	0.7
51.99737	0.7
54.17410	0.7
55.01291	0.7
58.59843	0.7
61.98827	3.4
63.42865	0.7
69.03451	0.8
78.03502	2.7
87.04523	91.1
97.02961	14.1
101.06084	8.6
102.24667	0.7
113.06110	6.0
115.04025	45.9
115.07654	9.3
119.08698	1.5
122.02496	100.0
122.11418	0.8
125.02494	1.1
143.07161	3.2
163.07642	4.3
171.06656	2.5
247.28961	0.7
255.14020	2.0
273.14996	10.4
278.29694	0.7
340.21494	0.8
358.51334	1.0
394.35190	1.0
408.28049	0.8
445.22528	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	568.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18620	0.5
59.01390	1.1
61.98839	1.4
67.50323	0.6
71.43174	0.6
76.47801	0.5
77.90227	0.6
78.74261	0.5
87.04526	100.0
113.06130	1.3
115.04026	34.5
119.05053	0.8
122.02499	29.5
138.72458	0.7
139.03926	0.6
154.80090	0.7
158.64151	0.7
303.01852	0.6
330.52792	0.6
470.22083	1.1
536.13641	0.6
540.25964	2.6
568.11816	1.8
574.62177	0.7
597.55389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36390	2.2
52.66624	1.9
53.51951	1.6
53.58429	2.1
61.98835	49.5
69.15540	1.9
69.68813	5.6
69.88705	1.9
75.32300	1.8
78.03521	3.3
87.04524	97.1
88.51579	2.0
95.29507	1.8
96.35576	2.2
97.02967	14.4
98.22031	4.3
101.06075	7.7
107.49670	2.2
113.06101	5.5
115.04026	52.8
115.07654	7.5
122.02494	100.0
130.37030	2.2
152.69839	1.8
152.77132	2.0
160.01857	2.4
163.07654	5.6
171.06693	3.9
262.28839	2.1
273.15155	9.6
284.14056	2.3
379.97668	2.8
464.65167	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	568.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.9
61.98507	1.8
61.98837	56.7
69.12247	5.3
87.04526	100.0
88.04877	1.0
112.09196	0.8
115.04031	39.6
116.04377	1.0
122.02501	28.8
201.00470	0.8
225.07790	0.8
243.75500	0.7
470.21680	1.6
540.26007	2.7
567.55444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.8
61.98839	18.3
64.27154	0.8
71.01389	2.9
71.05028	0.9
72.99316	1.3
83.01408	1.5
84.93905	4.6
85.02957	1.2
86.95429	0.9
89.02456	1.1
92.16073	0.7
93.03463	2.4
94.55653	0.7
95.72437	0.7
96.96007	2.0
96.96999	0.8
98.02474	1.2
98.95592	1.2
99.00875	1.6
99.92601	26.5
100.06771	0.8
100.92746	1.0
100.93373	26.7
101.93404	0.8
103.74288	0.9
115.92090	33.1
116.92876	100.0
117.03474	2.8
117.92881	1.6
119.05035	4.1
126.94944	1.3
128.92862	1.9
134.03802	4.3
134.04633	0.7
135.04538	1.8
137.02458	5.0
140.92891	0.8
141.93637	3.7
142.94429	6.1
154.94431	3.1
156.92314	1.4
161.02446	0.8
163.03958	1.0
169.93069	1.0
170.93942	1.9
172.95461	1.0
174.93405	2.4
184.91859	2.3
184.95477	2.5
185.92628	3.5
186.93451	4.1
193.05096	5.9
193.91145	1.0
196.02455	2.4
196.95483	1.0
212.94989	12.7
221.08305	1.0
224.95004	1.7
241.95332	0.8
242.96045	28.9
243.96423	1.1
255.03101	1.0
255.93239	1.3
260.97128	2.0
270.95459	1.0
283.02719	0.8
283.96408	0.8
284.03326	0.8
284.97131	1.8
285.04245	0.8
302.98172	3.3
328.96167	5.7
346.97113	11.9
407.38239	0.8
465.05185	1.1
569.06421	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43519	1.2
51.22565	1.1
51.36451	1.3
55.01910	1.2
58.80466	1.3
59.08187	1.3
61.05449	1.2
65.00311	3.0
65.99857	1.6
69.39342	6.8
76.04353	1.0
81.94294	1.2
83.67329	1.4
84.74287	1.2
95.01381	3.4
96.96034	2.4
98.22639	2.5
99.00883	4.2
103.51441	1.2
111.00907	14.8
119.42397	1.3
119.43255	1.3
123.00869	3.5
128.05138	1.5
136.98802	3.0
137.02431	2.8
139.00395	20.9
141.01912	5.9
147.33350	1.3
151.00391	2.5
163.00327	1.5
164.98322	1.8
166.99866	4.7
169.48140	1.1
171.04500	3.0
175.40926	1.1
183.04485	3.0
185.02458	1.7
199.04031	3.8
201.12910	1.3
210.03288	1.4
211.03996	4.4
215.03477	2.0
223.04005	1.5
225.01985	2.1
227.03494	3.7
229.01424	1.6
237.02005	1.7
239.03448	5.1
243.02950	1.6
253.01413	5.1
255.02985	16.5
257.04520	2.9
265.01465	1.7
269.04510	3.0
271.02417	11.4
281.00864	5.4
283.02475	11.6
299.01959	5.8
299.46609	1.3
305.04663	1.5
316.48221	1.4
377.02948	7.3
401.06763	1.4
405.02551	4.3
423.03592	15.3
427.05093	1.8
449.12170	1.7
493.10754	2.8
551.05896	1.6
569.07263	100.0
570.07709	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	569.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44209	0.6
57.03447	1.5
59.01387	1.3
63.02390	0.8
64.26746	0.6
65.00328	18.0
69.31481	2.8
83.01398	6.3
93.03442	0.7
107.01402	16.3
117.03477	8.9
119.05035	0.9
125.02453	5.6
125.38152	0.6
142.98048	0.6
143.05038	0.7
151.00385	68.2
152.00734	1.3
170.03740	0.7
171.04506	3.7
183.04533	1.8
185.02417	0.6
189.55907	0.6
195.04443	1.2
197.02475	1.0
197.06126	1.1
198.03281	1.6
199.04016	6.0
199.73911	0.6
209.02541	0.6
210.03334	0.7
211.04016	1.6
213.05621	1.5
221.28680	0.6
223.04048	2.0
224.04834	1.6
225.01869	1.0
225.05623	1.7
226.02684	1.8
227.03529	13.9
239.03519	1.2
240.04271	0.8
241.05133	2.1
243.03085	0.9
250.02788	1.1
251.03534	8.1
253.01404	1.2
253.05334	0.6
254.02307	1.6
255.03009	25.3
256.03265	0.8
267.03027	2.0
269.04602	2.4
271.02518	2.0
279.03012	13.1
280.03824	3.8
281.01068	0.8
295.02551	6.9
296.03226	3.5
296.20773	0.6
297.04059	17.1
299.02142	1.3
307.05972	1.1
323.01910	2.6
343.06354	1.0
351.05240	0.8
371.05524	1.1
374.04276	1.0
399.05298	0.7
402.03979	0.6
403.04443	0.7
407.04031	1.0
417.06183	100.0
418.06656	5.6
423.09961	0.7
443.04144	15.4
443.09811	1.1
444.04001	0.9
569.07300	77.9
570.07532	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	569.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44209	0.6
57.03447	1.5
59.01387	1.3
63.02390	0.8
64.26746	0.6
65.00328	18.0
69.31481	2.8
83.01398	6.3
93.03442	0.7
107.01402	16.3
117.03477	8.9
119.05035	0.9
125.02453	5.6
125.38152	0.6
142.98048	0.6
143.05038	0.7
151.00385	68.2
152.00734	1.3
170.03740	0.7
171.04506	3.7
183.04533	1.8
185.02417	0.6
189.55907	0.6
195.04443	1.2
197.02475	1.0
197.06126	1.1
198.03281	1.6
199.04016	6.0
199.73911	0.6
209.02541	0.6
210.03334	0.7
211.04016	1.6
213.05621	1.5
221.28680	0.6
223.04048	2.0
224.04834	1.6
225.01869	1.0
225.05623	1.7
226.02684	1.8
227.03529	13.9
239.03519	1.2
240.04271	0.8
241.05133	2.1
243.03085	0.9
250.02788	1.1
251.03534	8.1
253.01404	1.2
253.05334	0.6
254.02307	1.6
255.03009	25.3
256.03265	0.8
267.03027	2.0
269.04602	2.4
271.02518	2.0
279.03012	13.1
280.03824	3.8
281.01068	0.8
295.02551	6.9
296.03226	3.5
296.20773	0.6
297.04059	17.1
299.02142	1.3
307.05972	1.1
323.01910	2.6
343.06354	1.0
351.05240	0.8
371.05524	1.1
374.04276	1.0
399.05298	0.7
402.03979	0.6
403.04443	0.7
407.04031	1.0
417.06183	100.0
418.06656	5.6
423.09961	0.7
443.04144	15.4
443.09811	1.1
444.04001	0.9
569.07300	77.9
570.07532	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	569.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44209	0.6
57.03447	1.5
59.01387	1.3
63.02390	0.8
64.26746	0.6
65.00328	18.0
69.31481	2.8
83.01398	6.3
93.03442	0.7
107.01402	16.3
117.03477	8.9
119.05035	0.9
125.02453	5.6
125.38152	0.6
142.98048	0.6
143.05038	0.7
151.00385	68.2
152.00734	1.3
170.03740	0.7
171.04506	3.7
183.04533	1.8
185.02417	0.6
189.55907	0.6
195.04443	1.2
197.02475	1.0
197.06126	1.1
198.03281	1.6
199.04016	6.0
199.73911	0.6
209.02541	0.6
210.03334	0.7
211.04016	1.6
213.05621	1.5
221.28680	0.6
223.04048	2.0
224.04834	1.6
225.01869	1.0
225.05623	1.7
226.02684	1.8
227.03529	13.9
239.03519	1.2
240.04271	0.8
241.05133	2.1
243.03085	0.9
250.02788	1.1
251.03534	8.1
253.01404	1.2
253.05334	0.6
254.02307	1.6
255.03009	25.3
256.03265	0.8
267.03027	2.0
269.04602	2.4
271.02518	2.0
279.03012	13.1
280.03824	3.8
281.01068	0.8
295.02551	6.9
296.03226	3.5
296.20773	0.6
297.04059	17.1
299.02142	1.3
307.05972	1.1
323.01910	2.6
343.06354	1.0
351.05240	0.8
371.05524	1.1
374.04276	1.0
399.05298	0.7
402.03979	0.6
403.04443	0.7
407.04031	1.0
417.06183	100.0
418.06656	5.6
423.09961	0.7
443.04144	15.4
443.09811	1.1
444.04001	0.9
569.07300	77.9
570.07532	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	569.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97934	0.8
59.01366	2.7
61.98827	0.7
63.02419	0.7
65.00340	4.1
67.48756	0.6
70.30074	0.8
76.36766	0.7
83.01395	1.4
93.03448	1.4
107.01382	3.3
117.03462	4.7
125.02456	2.3
130.97281	0.8
134.14452	0.7
145.03012	1.6
149.02429	1.0
151.00380	10.9
159.04529	1.6
161.02463	2.4
165.01959	1.1
171.04543	2.8
173.02422	1.1
175.03966	0.9
183.04510	2.3
185.02440	1.1
187.04004	1.4
188.38960	0.7
193.01460	1.1
195.04312	1.1
199.03983	2.5
211.03998	1.5
213.02072	0.8
217.04984	0.9
227.03569	7.4
241.04863	0.8
243.03018	1.2
251.03490	1.2
253.01558	0.9
255.03024	11.0
256.03418	1.0
257.04535	1.4
265.05060	0.8
269.04486	1.1
279.02985	1.8
283.02426	1.4
285.04147	4.6
295.02603	1.6
297.04010	1.7
325.03528	3.8
333.04041	1.1
343.05981	0.8
345.07697	1.4
361.03287	0.8
371.05222	0.7
387.05411	0.7
389.02765	1.1
407.04092	4.4
417.06201	33.7
418.06619	1.7
442.27747	0.9
443.04126	10.1
451.08124	0.9
533.23767	0.9
551.06482	1.6
568.24847	1.5
569.07294	100.0
569.25562	3.3
570.07367	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	569.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09039	13.9
55.81836	13.4
58.61250	14.0
59.01386	37.5
62.59482	13.9
63.30029	14.7
69.15832	100.0
70.71735	16.8
71.22168	14.6
75.02371	14.6
83.01344	14.6
103.30992	14.0
107.20778	15.1
119.05000	17.9
123.52283	14.8
151.00407	16.8
269.04529	58.1
284.03156	29.5
299.05420	33.3
308.24542	16.8
349.60199	21.1
417.06100	23.8
569.07361	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00347	60.4
69.59239	66.8
69.59660	46.3
98.48238	22.7
118.30610	32.9
136.98811	53.4
138.90790	30.1
139.73196	24.6
161.02406	23.2
166.40628	24.0
171.04471	36.7
175.99863	31.7
179.29750	25.3
188.98338	31.6
196.88811	28.6
247.87425	25.6
249.05606	34.5
269.04547	83.9
280.06229	38.1
299.05481	36.3
308.05768	47.9
339.05362	27.2
390.06308	58.8
413.70074	28.4
493.09225	100.0
537.08276	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55580	0.6
62.88201	0.7
65.00332	27.6
65.99853	1.1
68.27334	0.6
69.76851	2.4
81.75618	0.6
85.81015	0.8
98.22622	0.8
102.36861	0.6
108.99339	1.8
110.00099	3.9
118.14083	0.6
119.01411	1.0
123.00871	0.8
127.05603	0.9
136.98817	5.9
137.02437	0.8
137.99597	1.5
138.35205	0.7
139.00430	0.8
141.07130	1.0
145.06645	1.5
152.98361	1.8
163.00377	12.8
165.99077	5.2
169.06657	1.9
171.04547	1.4
175.99901	1.0
184.05302	2.6
185.06033	0.9
196.05316	1.8
198.03261	2.5
211.04025	1.8
212.04771	0.7
213.05576	4.0
218.86880	0.8
224.04671	1.1
239.03493	2.4
240.04289	1.4
241.05066	9.4
243.06619	2.4
253.04958	0.8
255.06812	0.8
257.04565	41.0
258.04694	1.6
267.02997	2.5
268.03790	100.0
269.04160	4.2
270.05243	1.7
271.06030	11.6
275.67361	0.7
280.06097	1.1
283.06146	79.7
284.06549	2.7
285.07739	3.7
374.97058	0.7
392.23914	0.7
511.12277	1.3
519.90137	0.8
545.86163	0.7
569.14319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46593	1.6
52.59673	1.7
58.50002	1.6
59.33580	1.6
65.00330	33.0
65.99856	10.4
70.04796	1.6
71.42114	1.6
71.86449	1.7
106.01672	1.6
108.00914	1.8
108.99335	2.1
109.94543	1.8
110.00088	3.6
113.90270	1.9
128.60287	1.6
136.98820	8.0
155.35851	2.1
163.00421	15.1
165.99002	2.7
169.06581	2.1
171.04538	4.0
175.99895	8.6
177.00247	2.5
184.05310	5.0
196.19078	1.9
198.03325	3.0
211.04047	2.2
213.05551	5.2
224.04704	2.6
239.03513	2.9
241.05125	9.7
243.06587	2.6
257.04611	42.4
268.03796	100.0
269.04306	6.5
271.06039	13.5
280.06183	8.0
281.06531	6.5
283.06158	85.8
283.09341	3.5
284.06430	4.4
308.05579	10.6
309.06116	15.3
317.69888	2.1
320.05286	2.0
321.05875	2.0
406.05304	3.9
407.06104	6.8
439.10153	6.0
466.10254	4.0
493.11206	6.8
537.10620	5.0
555.11505	2.3
569.26276	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	569.1457
Annotation	Chamaejasmenin D
Peak:m/z	Relative Intensity
61.54861	0.2
65.00327	2.4
65.87968	0.2
65.99847	1.7
67.00191	0.4
67.01909	0.3
68.99805	0.5
69.04810	0.2
69.13585	1.0
69.14005	0.6
82.02957	0.2
83.01390	0.4
89.67706	0.2
93.03432	0.3
95.01402	2.0
96.99348	0.6
99.00917	0.3
103.40599	0.2
108.00912	0.3
108.02168	0.6
109.02930	0.3
110.00083	0.3
111.00888	3.3
112.00388	0.3
116.19784	0.2
121.03020	0.2
123.00896	1.1
124.01675	6.6
124.98835	0.3
125.02472	0.3
131.04988	0.3
136.01671	2.1
136.98801	3.3
138.47243	0.2
139.00383	5.8
140.07413	0.2
141.07161	0.3
150.03223	0.5
151.00412	0.2
152.01163	6.5
156.00639	0.4
157.06586	1.1
163.00465	0.3
164.98293	0.4
165.01945	0.4
165.07089	0.3
166.99873	3.4
169.06593	0.3
171.04524	0.4
171.08167	0.7
173.06078	1.8
175.99895	1.3
177.00304	0.5
178.02739	0.3
180.00684	0.6
181.06615	1.1
185.06114	1.5
193.01428	1.0
197.06094	0.9
199.07649	0.9
201.00475	0.2
201.05602	0.8
209.06097	0.9
215.07167	0.4
225.05580	4.6
227.07150	2.1
229.05019	0.5
241.04901	0.3
243.06618	28.1
244.07034	1.2
252.06616	0.3
253.05089	4.9
253.07565	0.4
253.30150	0.3
257.04483	0.3
268.03775	0.7
268.06326	0.6
269.04358	0.5
269.08380	1.2
270.07748	0.3
271.06128	100.0
272.06516	3.8
280.06134	1.2
281.06418	1.7
283.06113	0.5
287.53189	0.2
297.07693	7.6
308.05649	1.7
309.06015	2.6
313.82407	0.2
363.07111	0.3
378.05963	0.3
379.06439	0.3
406.05521	0.7
407.05939	1.3
537.10480	0.7
569.15552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1667
Annotation	lissoclibadin 3
Peak:m/z	Relative Intensity
54.33539	0.7
54.89570	0.6
59.01371	2.8
59.58341	0.7
61.98813	1.0
65.00329	1.8
68.99820	0.7
69.04314	4.7
69.33195	0.6
71.01384	4.4
73.02947	1.2
75.10148	0.6
75.40922	0.6
80.02640	0.7
81.03465	4.0
83.01385	1.0
85.02946	1.4
91.01894	6.2
93.03458	1.6
95.01416	1.6
101.02427	2.9
103.41270	0.6
107.01393	4.9
108.02178	9.6
109.02962	12.2
111.00889	1.9
113.02460	2.4
120.99268	0.8
122.02905	1.4
122.03746	21.2
123.00896	1.5
123.04546	13.8
125.02438	3.2
135.04500	0.7
137.02533	1.0
139.00339	0.9
151.00360	4.1
152.01189	8.8
153.01950	20.3
160.98833	1.2
164.98305	1.1
166.02722	1.3
167.03500	32.3
169.06581	3.1
169.10236	1.8
171.04468	0.8
171.08151	7.5
181.05008	0.9
188.98340	1.5
195.02975	1.1
195.08096	1.4
208.85764	0.7
211.07759	1.2
212.08434	2.1
213.09222	74.0
214.09508	2.0
217.01430	0.7
227.10823	3.0
239.07133	9.8
257.08215	5.2
265.05017	0.9
269.04575	2.3
285.03943	0.7
293.04501	1.6
296.05527	4.0
297.06174	12.3
311.07767	18.0
338.10281	1.7
339.04980	1.6
433.02106	0.8
493.09509	3.8
525.11542	0.9
525.17883	9.9
537.08533	3.1
537.15570	1.1
569.16644	100.0
570.16956	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	569.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47267	0.5
54.07517	0.5
59.01374	1.3
61.98832	1.1
65.00329	3.5
69.42157	2.5
91.01904	1.5
100.93373	0.9
107.01373	1.0
110.00111	2.0
115.92070	3.3
116.92093	0.9
117.03476	10.4
117.04280	0.8
119.05067	1.2
135.00890	5.7
136.98827	3.1
140.85114	0.6
143.04956	0.6
151.00392	0.9
151.64844	0.6
153.69125	0.5
155.05028	0.8
159.04539	2.6
163.00388	16.6
164.01103	1.0
164.98343	3.6
165.99112	2.3
171.04428	0.6
182.03687	0.8
183.04514	7.6
185.02458	2.1
187.04039	2.5
199.03949	0.8
200.04822	1.1
210.26732	0.6
211.04045	3.8
212.04684	0.9
214.02774	1.6
227.03511	5.7
239.03561	1.3
240.04295	1.3
255.03012	18.5
255.05655	1.0
256.03641	1.5
283.02502	74.7
284.03278	100.0
285.03824	5.9
291.06497	0.6
294.05429	0.7
357.06219	1.4
358.06897	4.0
407.16840	1.0
477.15588	28.5
478.16071	0.8
495.16467	1.2
507.13123	0.7
569.20337	47.6
570.20447	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	569.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97406	1.0
56.30747	0.8
59.01381	2.1
61.98830	2.1
65.00328	4.2
69.23503	4.6
73.39693	0.9
91.01894	0.9
94.84593	0.9
110.00085	2.4
117.03477	12.6
119.01390	1.2
119.05031	1.9
122.02510	0.9
135.00883	6.8
135.04480	1.5
136.98802	3.2
143.05040	1.1
146.08289	1.0
155.04984	0.9
159.04492	2.8
161.02385	1.2
162.99025	1.3
163.00385	20.1
164.01091	1.6
164.98328	3.9
165.99086	1.4
183.04532	8.9
185.02356	1.2
187.04039	2.7
195.04616	1.0
199.03877	0.9
200.04826	1.5
206.95273	1.0
211.04030	3.7
212.04698	1.5
214.02666	1.4
220.16219	1.1
227.03503	6.3
255.03000	20.1
256.03558	1.5
283.02505	81.6
284.03284	100.0
285.03897	6.0
286.04517	0.9
351.71747	0.9
357.06186	2.1
358.07172	4.9
385.66495	1.2
407.17056	1.0
468.73553	1.1
477.15601	28.6
478.15768	3.2
487.34348	2.5
495.16827	1.8
569.12177	2.1
569.20270	53.8
569.34772	2.9
570.21106	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	569.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03440	3.0
59.01385	29.3
62.59430	0.6
64.88434	0.8
69.03447	1.7
71.01389	24.7
72.99304	2.9
73.02954	5.8
75.00493	0.9
75.00887	15.2
78.76510	0.7
78.95911	1.1
79.95768	1.4
83.01377	2.4
85.02959	16.7
87.00886	7.5
89.02460	15.2
95.01380	2.0
96.96022	30.9
96.96958	1.8
97.02958	1.6
99.00911	3.9
101.02439	8.1
113.02467	15.0
114.93427	1.3
115.00344	2.0
117.01942	1.0
119.03500	2.1
125.02452	2.5
131.03482	5.0
149.04572	2.4
153.09308	0.8
160.97643	1.0
161.04507	1.0
171.10310	7.5
175.02473	1.0
191.05605	2.6
202.64835	0.8
244.84810	0.7
265.99265	0.8
397.13516	3.2
415.14532	1.3
449.31076	0.8
569.20892	100.0
570.20947	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	569.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03446	2.0
59.01385	31.1
62.45621	0.7
64.84691	0.6
68.99789	0.7
69.68797	1.5
71.01385	26.0
72.99318	3.8
73.02955	5.4
75.00879	15.8
78.95912	1.5
81.03433	1.2
83.01402	1.3
85.02956	16.7
87.00879	6.8
89.02451	16.9
91.85233	0.7
95.01381	1.3
96.96019	35.3
96.96967	1.9
97.02951	1.3
99.00880	6.3
101.02454	9.5
113.02460	17.7
114.93403	1.1
115.00365	2.9
117.01930	1.4
119.03491	2.6
119.46468	0.7
125.02449	2.2
131.03523	7.2
143.03552	1.0
149.04570	3.8
161.04520	1.3
171.10277	9.6
175.02548	1.0
191.05643	3.5
217.00363	1.0
271.08746	0.8
397.13632	4.7
415.14703	1.7
505.04880	0.8
569.20880	100.0
570.21179	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	569.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16934	26.6
52.02400	27.5
61.98838	75.8
69.96707	100.0
75.25488	32.1
87.04530	74.3
119.05070	30.7
151.00502	37.6
254.35956	29.1
359.37119	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2607
Annotation	Hymenoratin B 2-O-[6'-O-acetyl-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
50.45321	0.4
55.01876	0.9
57.03454	1.5
59.01387	36.7
69.03442	1.4
69.19640	1.6
69.20059	1.0
71.01392	13.0
73.02954	17.2
83.01405	4.0
83.31328	0.4
85.02958	4.6
87.00874	0.9
89.02464	4.7
95.01413	1.1
97.02975	2.1
98.22604	1.0
99.00887	1.2
99.04520	0.6
101.02460	14.3
111.08154	0.4
113.02460	5.6
117.03522	0.5
119.03510	1.5
124.01681	3.4
131.03537	0.6
135.04533	3.3
143.03537	0.6
153.09196	0.6
155.08707	0.6
161.04507	1.2
189.12885	1.3
191.14377	0.5
193.15950	0.6
213.18280	0.4
245.00879	1.0
247.20712	1.7
277.21606	0.7
283.02438	0.5
287.16510	0.8
303.19699	16.0
304.19778	0.5
305.21158	1.5
321.20667	4.1
449.99994	0.5
465.25394	2.5
483.26038	7.2
507.25922	0.9
525.27118	13.1
526.27374	0.8
535.11359	0.6
551.25043	7.1
552.24670	0.6
569.07904	3.6
569.26068	100.0
570.26465	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	569.2606
Annotation	Hymenoratin B 2-O-[6'-O-acetyl-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
55.01878	2.1
57.03457	2.6
59.01387	100.0
69.03461	1.3
71.01391	24.0
73.02954	12.0
74.35673	0.5
78.91563	0.5
83.01411	4.3
83.05009	0.9
83.52648	0.6
85.02966	11.9
87.00899	0.9
87.79756	0.6
89.02463	5.9
95.01427	2.0
97.02981	1.1
98.21805	1.0
99.00907	1.8
101.02453	16.4
113.02460	8.1
119.03501	2.9
119.04967	0.6
125.02479	1.0
143.03552	1.1
147.55307	0.6
159.03011	1.1
161.04575	6.1
179.05647	1.3
189.12924	1.8
191.14494	1.3
203.05672	1.2
207.17609	1.2
259.20752	1.4
275.20248	2.6
277.21747	9.8
278.22076	0.7
285.18820	0.7
303.19730	3.4
305.21341	0.6
312.13498	0.6
315.51120	0.6
321.20718	6.6
347.18588	3.0
349.20288	1.1
365.19650	9.4
439.27036	1.7
483.26013	1.8
509.23822	0.8
525.27094	26.3
526.27521	2.1
527.25177	0.9
569.26093	63.3
570.26520	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	569.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93932	0.2
55.15898	0.2
58.20036	0.2
59.01385	3.5
66.97678	0.2
69.41315	0.9
71.01379	0.8
73.02962	0.8
75.00872	1.5
84.45144	0.2
85.02938	0.5
89.02451	0.4
99.00890	0.4
99.92591	8.9
100.92580	0.2
101.02459	0.5
113.02455	0.4
113.25317	0.2
116.92873	100.0
117.01953	1.8
117.92879	2.6
171.10356	0.3
193.34872	0.2
232.33481	0.2
242.95267	0.2
271.74374	0.2
321.20728	0.5
465.24341	0.4
478.15829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	23.7
65.99844	4.3
69.05876	5.3
69.06281	16.9
98.21922	9.2
108.02220	5.5
111.00867	7.7
115.05527	9.4
116.48045	3.3
121.02999	3.0
123.00898	5.3
124.01675	4.7
125.09750	4.5
127.11380	3.9
131.05045	28.8
133.06602	6.1
136.01672	4.0
136.98801	9.4
139.00380	7.4
147.04555	17.8
151.00429	8.3
152.01212	6.3
155.10770	3.8
157.06563	3.5
159.04460	4.6
161.06085	42.4
163.00336	8.1
165.00693	3.5
165.09250	25.2
166.01468	3.8
171.04567	4.4
171.10286	11.0
173.06085	3.5
175.11278	3.9
177.09326	3.1
179.10846	9.5
185.06131	3.4
187.04012	4.6
187.09761	3.0
193.08763	3.7
193.12291	4.1
195.10194	4.6
197.11827	5.6
199.09827	6.9
205.08687	4.4
213.05400	4.0
213.11346	11.5
215.12895	75.7
221.11948	3.8
223.09766	4.0
241.05064	8.2
241.10886	5.1
243.06644	24.3
253.05228	5.4
253.15895	4.7
257.04541	28.4
265.15915	6.5
268.03757	69.6
268.06409	5.0
269.04346	12.0
270.07758	9.1
271.06125	100.0
272.06467	5.1
279.13632	4.3
280.06110	5.2
281.15808	3.3
283.06146	45.4
284.06360	3.9
290.32626	3.3
297.07761	5.9
297.15076	5.0
307.13443	7.4
309.15002	16.3
325.14410	10.3
335.12860	8.8
345.20633	9.1
353.14120	22.1
363.21893	6.5
365.19482	21.3
389.19788	15.7
403.21326	7.6
407.20740	19.4
421.08075	14.6
456.41403	3.7
492.02734	3.4
525.28876	4.3
541.28296	8.3
551.26862	7.8
569.27533	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18462	3.3
59.01385	100.0
59.99519	3.9
60.24944	3.6
61.98845	12.8
65.00327	14.7
66.02918	4.5
71.01391	17.5
71.40298	3.9
73.02945	24.8
83.01400	13.1
85.02952	5.6
89.02447	14.1
93.03456	7.2
101.02466	19.0
103.49579	4.0
107.01405	12.6
113.02461	15.9
115.92168	5.4
116.92883	7.3
117.03471	41.2
119.05050	34.1
125.02509	12.5
133.02925	6.0
135.04550	12.8
145.02911	6.1
151.00371	27.6
159.04562	6.5
161.02480	9.0
164.98322	4.9
170.35944	4.6
187.04031	4.8
195.08345	4.2
241.05392	5.2
255.02963	6.8
280.35825	4.3
283.02484	22.7
284.03326	26.4
297.15094	8.0
315.15860	6.3
343.15506	6.4
477.15656	11.2
551.05920	5.9
551.19379	11.6
569.20410	83.6
570.21289	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	570.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07665	2.6
59.01381	4.1
65.00331	34.2
65.99855	43.6
66.69424	2.9
68.99821	6.2
71.01402	8.5
75.20722	2.7
82.03033	3.6
83.01402	6.5
89.99831	4.3
95.01408	4.7
96.00951	5.7
96.99356	5.1
98.21802	7.1
99.00892	39.0
101.04007	3.6
101.09121	3.0
108.00907	5.6
109.02993	5.6
110.02499	9.3
111.00898	30.5
112.98874	3.6
117.03493	9.1
118.03017	5.0
119.05054	6.7
120.00916	5.4
121.02990	13.4
122.02538	4.5
123.03254	3.3
124.00385	18.7
124.04044	5.6
127.00392	5.4
131.05067	5.3
133.02972	7.0
134.02477	5.8
134.03773	4.2
135.03424	3.4
135.04543	8.1
136.00400	32.0
136.98830	53.6
138.02042	4.9
139.00397	16.0
143.04991	3.0
145.02962	8.5
145.06715	4.8
146.02507	5.3
147.04468	4.7
148.04091	7.1
149.02437	3.1
150.02026	18.3
151.00365	5.3
151.02753	3.7
152.03514	3.2
158.03766	3.5
159.04532	6.4
161.01266	4.6
161.02483	36.5
161.06198	4.6
162.01971	7.9
163.04074	4.2
163.99902	17.2
164.03563	3.9
164.98332	3.3
166.01416	3.9
169.06606	5.4
171.04541	28.8
173.01147	3.9
173.02512	4.9
173.06064	5.6
174.01979	3.8
175.04060	7.0
175.99919	38.9
176.03557	3.6
178.01535	4.0
180.03079	6.6
183.04498	4.3
185.02434	8.3
185.06145	4.2
186.02025	7.9
187.04045	6.3
188.03534	4.8
188.98428	3.8
189.00653	8.2
190.01477	7.4
191.03578	10.0
192.03093	16.7
202.01538	7.9
203.03712	4.0
203.99384	13.0
208.07814	4.6
211.04047	5.5
213.05652	5.4
215.03525	11.0
216.03163	6.3
217.05063	4.4
218.01004	9.5
224.07208	5.1
225.05542	4.9
226.05173	5.3
227.03522	4.2
231.03041	7.0
233.04552	19.2
238.04990	5.5
240.06636	10.6
242.08191	22.8
243.02930	4.7
252.06641	7.4
254.08200	4.7
255.02998	9.7
255.06674	26.6
256.03662	4.1
257.04596	14.1
260.55923	3.4
261.03986	4.5
264.06821	4.8
268.03500	4.3
268.06177	68.7
269.04294	3.5
270.07739	42.2
274.00046	3.8
276.06891	3.9
278.08261	5.8
280.06155	71.4
282.07797	7.1
285.99973	12.3
294.07767	14.0
296.05643	17.7
296.08902	5.5
299.02063	9.6
301.03568	28.1
306.07788	10.4
308.05652	59.7
308.08990	4.4
310.07367	8.2
320.09222	14.6
322.07214	9.1
336.08832	11.8
346.07312	4.9
348.05280	4.2
350.06833	8.9
352.08395	28.7
362.06735	6.8
364.08331	43.4
365.08661	3.6
376.04752	5.0
377.05383	4.9
378.06229	33.6
380.07849	12.1
381.07394	3.6
390.06216	100.0
391.06485	4.8
394.04962	15.8
406.05704	4.2
407.06317	6.2
408.07089	25.2
416.03885	14.7
484.10217	8.7
494.09885	4.1
498.11951	11.1
508.10373	4.9
524.09882	4.3
526.11572	13.2
538.08655	4.1
552.09521	11.3
570.10083	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	570.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00381	9.8
65.99849	33.9
67.99514	9.1
70.98048	7.9
73.02961	51.2
74.78580	9.8
75.24610	9.9
78.56184	9.5
89.44759	11.6
105.80279	10.4
123.00902	17.1
136.00410	28.5
146.02477	20.2
147.04584	14.6
163.99944	15.4
171.04535	32.5
174.02023	13.3
174.05121	10.5
175.99922	35.2
189.05594	43.7
190.01439	29.9
202.01416	10.4
203.99402	22.7
210.77248	11.9
244.60185	10.8
248.28882	9.7
252.06769	14.8
255.06708	25.8
268.06216	46.9
270.07690	26.0
280.06165	58.7
282.07672	14.1
292.06296	14.1
294.07834	70.2
296.05606	23.5
306.07764	12.6
308.05627	52.0
320.05609	22.9
322.07214	63.3
334.07315	17.9
336.08853	44.6
348.05020	24.3
364.08350	100.0
366.06116	36.5
378.06100	32.3
390.06174	14.3
421.08054	20.4
424.11987	27.5
432.07440	16.3
434.05307	29.5
452.11255	68.1
470.12384	58.9
538.11511	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73529	5.5
57.24620	6.8
65.99861	46.6
86.69575	7.5
104.11418	6.9
121.18808	6.6
123.54108	6.1
134.02493	11.0
136.00429	15.5
151.00439	9.1
158.65527	7.4
163.73224	6.8
163.99883	11.7
171.04665	7.8
175.99884	29.2
197.05986	9.5
217.16927	6.3
234.00488	8.2
242.08348	21.3
255.06641	26.8
258.79987	7.7
261.99969	33.7
268.06137	56.0
269.04688	10.3
270.07700	90.5
280.06189	100.0
296.05603	19.7
322.07108	8.7
335.44800	7.5
366.06033	64.0
390.06186	18.7
422.08899	36.5
466.12897	8.4
494.12216	48.8
538.11548	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	570.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	2.1
65.99853	4.6
67.39972	0.8
68.99826	1.3
73.98031	0.8
81.02204	1.1
83.01427	0.8
88.30549	0.8
94.00643	0.9
95.01395	5.0
96.00937	1.5
96.02177	1.1
97.27593	0.8
109.01710	3.2
110.00111	1.7
110.02482	1.4
111.00896	3.4
119.05025	0.9
120.00933	2.0
121.01723	2.4
121.03056	0.8
122.02513	1.5
123.00900	21.5
123.01768	1.7
123.03295	1.3
124.01670	2.0
124.98824	0.8
125.02473	1.4
134.02477	1.9
135.03264	1.1
136.00418	5.5
136.98830	1.6
137.01205	2.0
138.01964	2.1
139.00377	5.3
140.01189	0.9
140.03535	1.0
141.01967	2.5
149.01181	1.2
150.01924	2.1
151.00385	100.0
151.02794	2.5
152.01068	1.9
153.01974	1.7
162.02026	1.1
163.99899	8.7
164.98271	2.4
165.00699	17.1
165.01953	1.1
166.01468	25.6
171.04453	2.1
174.01941	0.8
175.99860	3.0
176.01230	0.8
177.00667	1.0
177.01978	0.9
178.01526	1.9
187.07602	0.8
192.03084	1.7
193.01379	1.2
200.07310	0.8
204.03065	1.8
213.05565	1.2
226.06482	1.1
228.06888	1.1
232.02435	1.0
240.06711	1.9
242.08264	12.7
243.06551	1.8
243.08784	0.9
245.08220	1.6
252.06575	1.2
253.05157	1.6
254.05893	1.5
255.06628	1.6
267.06262	0.9
268.06161	7.8
269.04477	4.6
269.06982	14.6
270.07718	23.2
271.06110	5.0
280.06177	4.3
282.00403	1.3
282.07666	1.5
287.05676	2.4
294.07706	1.2
296.05618	1.0
299.05576	2.8
308.05756	1.1
317.01770	1.6
319.05081	0.8
322.07150	1.0
339.45517	0.8
352.08093	0.8
360.08548	1.4
386.06708	4.2
404.07901	4.9
420.10904	1.6
421.08099	79.6
422.08865	39.2
422.12939	0.7
422.14731	1.2
446.09042	3.8
464.09991	1.5
526.11682	1.0
552.13788	1.1
570.14026	16.0
571.13300	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	570.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09098	1.6
62.59216	1.7
65.00346	2.2
65.99853	4.9
68.99802	2.5
83.01401	4.2
84.99316	6.5
95.01401	1.7
108.04570	1.8
110.02492	2.8
111.00898	12.5
112.98822	100.0
115.05601	1.7
117.03465	1.8
119.17767	1.7
136.00386	2.8
150.69460	1.9
151.00424	12.0
158.95303	1.9
159.03271	6.2
161.04858	2.0
163.99930	2.2
165.00647	4.1
166.01477	4.1
171.04533	8.8
175.99849	2.6
184.07716	4.8
185.04797	4.4
187.02737	8.2
192.08192	1.8
200.03508	2.7
204.08282	1.5
205.03801	2.5
208.07684	7.1
214.05144	2.5
220.07729	10.4
224.07310	1.8
226.08742	2.0
228.03355	1.8
228.06847	2.1
229.03891	8.1
232.07736	8.2
234.05620	2.0
234.09271	2.1
242.08276	4.6
248.07260	12.7
250.08742	4.9
252.06705	4.8
255.06400	2.6
262.08710	8.0
268.06277	7.9
269.06863	3.2
270.07657	10.4
271.05911	2.8
276.06723	13.6
278.04642	1.9
278.08276	1.9
280.06070	4.5
290.08221	4.6
291.09055	13.5
294.07874	3.5
302.08307	3.9
303.09079	2.0
318.07739	5.5
323.08188	3.7
331.08450	2.5
333.09976	7.5
336.08685	3.7
336.12625	4.4
338.11853	6.5
346.07715	1.9
350.10266	5.4
352.13379	3.4
362.11288	2.0
380.12994	51.7
381.13159	2.3
412.15497	21.0
421.08057	10.4
422.08829	5.0
422.13956	25.3
423.14090	3.0
424.11987	9.1
450.13571	11.1
454.16599	27.9
456.14478	27.2
457.86810	1.9
466.13104	12.5
482.16516	4.9
494.12305	16.7
495.12677	3.6
498.15823	11.6
508.14078	10.4
538.11432	17.3
570.14063	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	570.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93745	5.5
59.01381	6.2
61.98833	5.7
65.00336	56.9
65.99847	16.6
67.01889	17.1
67.39922	5.1
68.99821	11.2
69.05643	41.8
78.71629	5.9
81.03454	6.2
82.02980	44.9
83.01405	11.5
85.02969	5.1
86.58702	5.2
91.01903	18.6
95.01405	16.2
97.02977	32.9
97.15596	6.6
98.02493	19.1
99.00902	12.2
99.04541	10.1
107.01412	6.4
109.02978	13.4
111.00850	8.1
117.03469	9.4
119.05063	9.3
120.00926	6.7
121.02955	8.9
123.00892	7.7
123.04520	25.9
124.04072	19.7
125.02455	23.1
126.01984	100.0
131.05029	16.5
135.00859	8.5
136.98813	34.5
138.02013	9.6
139.04008	7.6
141.01926	9.2
141.07182	10.0
144.03044	7.8
145.06601	36.1
147.04547	25.1
147.08167	15.1
148.04123	11.9
149.01242	6.2
149.02426	13.1
150.01979	8.0
151.00354	20.5
152.03552	8.7
153.01915	13.8
159.00894	6.7
161.02464	8.6
164.00020	5.3
164.03490	6.5
164.98262	17.7
165.00722	14.0
165.01952	7.4
166.01405	10.2
169.06660	13.7
171.04553	46.4
173.06053	7.5
175.07811	9.4
175.99907	13.4
176.03511	6.1
177.00592	7.5
177.01949	12.4
178.01517	6.8
180.06589	8.9
185.06122	5.6
187.07713	6.7
189.05663	9.0
189.07323	5.5
191.03618	6.5
191.08936	5.8
192.02956	9.0
193.01443	27.2
195.08154	7.1
197.06052	8.4
199.04092	5.8
201.01903	9.3
203.07178	10.4
211.07649	9.6
213.05609	43.2
219.08157	5.8
235.07730	16.1
239.07141	39.3
241.05130	45.6
242.08298	15.2
243.06583	7.2
245.05954	10.2
245.08202	86.9
253.05101	9.4
254.08266	5.8
255.06604	14.7
261.09195	6.1
263.07135	25.3
267.06583	10.0
268.06177	23.5
269.04498	43.2
269.07001	9.8
270.07651	32.8
271.06284	30.8
271.09698	28.9
272.09277	15.3
273.07629	7.1
278.08218	6.2
280.06189	27.1
281.04495	9.7
287.05536	6.8
294.07968	7.3
295.06415	7.9
295.09650	56.6
296.05780	6.5
296.09497	8.7
297.04620	5.3
297.07550	29.4
299.05688	23.8
301.03552	6.9
305.08008	6.6
306.07559	7.2
308.05618	13.1
311.07355	6.3
319.09796	16.2
324.08862	28.6
328.11914	60.0
348.08783	9.8
364.08566	9.7
366.09854	13.6
380.07642	9.4
394.05463	7.6
404.11447	14.1
408.06860	5.9
421.03894	10.2
422.04608	7.9
422.12747	12.0
432.11203	12.0
443.14987	22.8
464.13443	16.4
476.15048	20.8
526.11725	16.8
552.15973	7.5
570.18030	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71653	4.2
55.55243	4.0
56.47446	4.2
59.01385	100.0
60.01696	4.4
61.98832	30.1
64.17635	4.3
68.02546	44.9
71.01391	24.9
73.02953	20.0
82.03037	3.7
83.01405	7.0
85.02968	6.9
87.00898	4.5
89.02473	9.9
90.49699	4.8
93.03468	8.7
101.02454	16.3
111.00916	4.6
113.02463	14.4
117.03479	18.1
119.05052	26.8
121.02947	8.0
125.02492	4.8
133.02908	4.2
135.04532	15.7
137.02469	6.5
147.04529	8.7
148.04918	4.5
151.00322	4.7
161.04590	6.0
196.02499	6.0
209.07327	13.8
285.04099	14.5
341.17838	7.7
383.12674	14.9
401.13461	6.4
478.16269	7.1
538.21112	5.4
570.20819	25.6
571.22076	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	570.235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74634	3.7
59.01384	100.0
61.98837	7.9
69.24960	12.5
69.25362	8.5
75.20909	3.7
81.16536	4.3
83.48082	3.6
87.04507	4.2
94.02159	4.1
98.22619	9.4
117.03497	5.4
119.05002	19.6
122.02450	7.3
178.85786	4.5
179.34534	3.8
202.17760	3.7
291.19650	7.2
515.09070	4.1
534.18170	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64568	0.7
52.66183	0.6
59.01384	100.0
61.98832	5.4
69.10318	0.6
69.24055	3.2
87.04526	3.7
88.04876	0.7
98.64017	0.6
109.69446	0.7
115.04050	1.9
121.02969	16.8
122.02493	62.5
123.02843	1.4
135.04517	1.0
152.04813	0.9
162.20282	0.6
167.02711	0.7
168.29538	0.6
217.40596	0.7
241.12325	0.8
241.66342	0.7
245.90530	0.7
306.15964	0.7
436.29843	0.7
484.97400	0.7
570.21716	1.2
571.23914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0404
Annotation	Isorhamnetin 3-glucuronide-7-sulfate
Peak:m/z	Relative Intensity
59.01389	13.3
59.72629	2.1
69.49504	7.0
69.49887	4.7
71.01380	10.1
75.00874	5.0
79.95732	8.6
85.02968	16.0
87.00891	5.5
94.61076	2.2
95.01418	5.6
96.96022	23.7
99.00896	7.6
110.00086	6.9
113.02460	16.1
129.01988	2.3
135.04547	3.5
137.99617	3.7
139.00397	3.3
153.01913	5.5
165.99132	13.1
175.02553	3.6
177.12923	2.4
198.36266	2.4
202.09077	2.1
227.03619	2.3
228.98210	6.5
239.03084	2.0
254.98132	3.8
260.93668	2.3
283.02451	3.3
299.02039	12.5
300.02771	47.7
314.04239	15.9
315.05109	76.4
316.05499	3.2
353.38013	2.2
367.82483	2.5
394.95746	3.6
395.00790	60.3
396.01147	2.9
491.08337	100.0
492.08691	5.3
568.76129	2.9
571.04034	5.9
571.16913	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	571.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66309	0.4
69.30878	2.5
74.34154	0.5
81.28262	0.5
86.74962	0.6
96.96023	8.3
98.21870	1.2
108.30244	0.5
124.01633	0.7
133.02966	6.4
136.98814	1.2
153.01964	1.0
164.98317	1.8
167.70079	0.5
177.01926	0.7
198.03334	0.5
199.04037	1.4
201.01958	0.8
201.86203	0.5
205.01453	0.7
214.02666	1.0
227.03545	1.3
241.00342	1.0
242.02237	4.2
243.02896	1.4
254.02225	2.0
255.02959	0.8
268.03622	0.5
269.04492	0.7
270.01730	1.8
271.02414	6.2
281.00861	0.7
285.04041	3.3
296.03305	1.4
299.01984	41.4
300.02313	1.3
313.03543	14.3
314.04327	43.3
315.04797	1.4
328.05783	1.8
329.06668	41.2
330.07022	1.3
395.80710	0.5
397.26639	0.5
401.63449	0.6
476.09198	0.8
491.11993	100.0
492.12341	6.1
571.07513	10.6
572.07916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02762	0.5
60.69373	0.6
63.03497	0.6
65.00335	1.0
68.64719	0.6
69.06417	4.4
75.71807	0.7
77.43039	0.6
89.82012	0.6
92.92995	0.5
94.98092	1.1
96.96018	2.8
98.22632	1.2
111.00897	0.7
133.02968	7.0
136.98805	1.4
146.83372	0.5
152.01143	1.3
164.98312	2.3
167.03500	0.8
177.01947	0.9
178.99881	1.1
180.00514	0.6
190.99939	0.7
193.57816	0.6
198.03262	0.7
199.03967	1.9
201.01958	1.1
227.03601	0.8
242.02180	5.5
243.02859	1.1
254.02240	2.3
268.04010	0.7
270.01721	1.8
271.02426	6.6
281.01019	0.7
285.03976	3.9
292.77231	0.6
296.03091	1.1
298.01678	0.8
299.01974	44.2
300.02280	1.8
311.63840	0.6
313.03516	13.7
314.04330	41.3
315.04739	1.6
327.05399	0.7
328.06036	1.6
329.06683	38.7
330.06909	1.5
368.83133	0.6
371.07755	0.7
406.73242	0.6
491.11969	100.0
492.12460	6.1
510.82648	0.6
571.07782	11.4
582.23145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80954	0.7
59.01394	3.0
65.00365	0.9
71.01406	0.9
72.99331	0.9
79.95764	3.1
93.03504	0.9
93.14355	0.7
96.96026	13.6
101.02489	1.6
107.11208	0.7
108.02216	0.7
111.00919	0.9
113.02447	1.7
133.02965	9.8
136.98790	3.8
137.02478	0.7
139.00432	2.8
147.04617	1.4
152.01244	1.2
153.01945	0.9
157.03027	1.9
161.02472	1.2
164.98308	15.6
165.02013	0.9
165.99088	2.5
167.03557	1.0
169.05098	0.8
175.04010	0.9
178.99879	1.7
180.00673	5.3
181.01492	2.2
195.03058	1.1
201.01906	6.0
227.03581	2.6
230.99387	1.7
236.97940	1.3
241.00287	1.5
241.05095	1.1
243.03067	0.7
246.01828	1.8
253.01436	1.7
255.03053	2.8
261.03995	4.7
271.02521	3.9
281.00809	1.0
285.03879	3.6
295.02405	0.9
297.00357	0.8
298.01242	1.9
299.01987	58.1
300.02692	4.6
313.03610	4.6
314.04349	42.5
315.04950	6.3
323.01968	0.9
327.05362	1.0
328.05865	4.3
329.06683	100.0
330.07095	4.3
338.04303	1.9
353.06540	4.0
371.07751	2.3
395.00873	1.7
461.07199	1.4
491.12036	94.9
492.12372	4.0
571.07593	30.6
571.21161	1.2
572.08099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.2
59.01380	4.7
61.98833	7.1
62.12547	0.7
65.00330	6.5
71.01380	1.6
72.99312	2.0
81.03476	7.2
83.01392	19.1
93.03432	2.1
93.21343	0.6
95.05035	1.4
96.64487	0.6
107.01402	5.6
109.02994	0.7
113.02460	0.9
117.03477	13.0
119.05040	6.2
123.04539	33.5
125.02455	34.5
133.02908	1.2
135.04478	1.4
145.03029	0.8
151.00389	22.6
151.01575	1.5
159.04520	1.0
167.03513	99.7
168.03857	1.5
173.06081	1.7
177.01961	4.1
182.03780	0.7
183.04503	1.9
185.02534	1.9
185.06154	1.3
187.03954	0.8
201.01990	0.9
201.05608	0.9
211.03999	3.1
213.02019	2.0
214.02769	2.4
225.05684	0.9
227.03502	3.6
229.04990	1.5
232.39276	0.7
239.03452	1.7
241.01331	1.1
241.08763	0.9
242.02171	4.7
243.02927	1.7
252.38988	0.7
253.01494	2.2
253.05093	1.5
255.03091	4.8
256.03671	0.9
257.04550	22.6
279.03015	1.3
280.03656	0.9
281.00809	1.0
281.04620	2.1
283.02338	3.8
285.03992	2.0
319.06131	0.8
325.03629	1.0
327.06726	1.2
329.08136	1.9
331.06137	1.1
347.05960	0.8
355.06183	1.0
357.07513	1.6
359.05557	1.3
373.07202	2.3
375.04810	1.1
379.65689	0.7
383.05673	1.3
384.06369	1.0
393.06152	4.0
401.06693	100.0
402.07056	5.0
403.04636	29.6
404.04755	1.6
405.06042	1.4
413.12570	1.7
419.07764	11.6
420.08725	0.9
445.05746	10.3
511.09488	1.6
527.10681	0.8
571.08783	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	571.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39825	0.7
57.03466	1.2
59.01387	2.4
65.00320	1.7
65.80380	0.8
69.11759	1.4
69.12164	2.9
71.01406	2.4
73.02953	0.9
75.56971	0.7
76.89645	0.7
83.01405	1.7
85.02969	1.5
86.93921	0.8
95.01395	1.7
96.96015	1.0
97.02985	0.7
98.22602	1.6
99.00887	20.4
101.02455	1.0
111.00893	10.4
113.02470	4.1
119.05029	1.5
123.00906	3.7
135.04506	0.9
136.98862	1.1
138.99347	1.0
139.00395	16.7
141.01958	76.4
145.03015	1.1
145.06622	0.8
153.01981	3.0
159.04579	2.9
161.02440	1.3
164.98457	0.7
171.04561	1.7
173.06139	2.5
175.04105	1.1
181.01405	1.1
183.04567	2.8
185.06143	4.8
187.04036	0.8
193.01427	0.7
197.06046	0.8
199.04047	1.6
201.05603	1.3
211.04025	2.7
213.05586	5.1
225.05688	0.9
227.03505	1.7
229.05103	2.3
239.03531	1.9
241.05022	1.1
243.02847	0.8
243.06606	0.9
255.03076	2.1
257.04572	27.9
258.04724	1.1
259.06122	1.5
262.48032	0.8
269.04431	4.8
281.04575	1.1
283.02463	5.2
339.05008	1.1
357.07550	1.0
385.07178	34.2
386.07703	1.3
387.08646	1.0
403.08267	14.5
407.04050	1.0
425.05359	0.9
429.06183	100.0
430.06573	4.8
431.07700	4.2
509.08749	2.2
527.09924	1.6
553.07910	3.8
570.17548	1.4
570.26544	1.0
571.08905	26.7
571.16748	1.0
572.09131	2.4
597.06970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39825	0.7
57.03466	1.2
59.01387	2.4
65.00320	1.7
65.80380	0.8
69.11759	1.4
69.12164	2.9
71.01406	2.4
73.02953	0.9
75.56971	0.7
76.89645	0.7
83.01405	1.7
85.02969	1.5
86.93921	0.8
95.01395	1.7
96.96015	1.0
97.02985	0.7
98.22602	1.6
99.00887	20.4
101.02455	1.0
111.00893	10.4
113.02470	4.1
119.05029	1.5
123.00906	3.7
135.04506	0.9
136.98862	1.1
138.99347	1.0
139.00395	16.7
141.01958	76.4
145.03015	1.1
145.06622	0.8
153.01981	3.0
159.04579	2.9
161.02440	1.3
164.98457	0.7
171.04561	1.7
173.06139	2.5
175.04105	1.1
181.01405	1.1
183.04567	2.8
185.06143	4.8
187.04036	0.8
193.01427	0.7
197.06046	0.8
199.04047	1.6
201.05603	1.3
211.04025	2.7
213.05586	5.1
225.05688	0.9
227.03505	1.7
229.05103	2.3
239.03531	1.9
241.05022	1.1
243.02847	0.8
243.06606	0.9
255.03076	2.1
257.04572	27.9
258.04724	1.1
259.06122	1.5
262.48032	0.8
269.04431	4.8
281.04575	1.1
283.02463	5.2
339.05008	1.1
357.07550	1.0
385.07178	34.2
386.07703	1.3
387.08646	1.0
403.08267	14.5
407.04050	1.0
425.05359	0.9
429.06183	100.0
430.06573	4.8
431.07700	4.2
509.08749	2.2
527.09924	1.6
553.07910	3.8
570.17548	1.4
570.26544	1.0
571.08905	26.7
571.16748	1.0
572.09131	2.4
597.06970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.6
59.01381	7.9
61.98830	1.4
65.00329	2.3
69.13409	9.8
71.01383	14.2
72.99319	2.5
73.02964	1.6
76.46162	1.4
79.95753	1.6
80.96531	2.7
81.03475	1.7
85.02960	4.8
87.00885	23.1
89.02478	1.7
90.98602	4.1
91.01883	1.6
95.01395	3.5
96.96021	23.3
101.02454	5.6
107.01416	4.8
108.02180	10.3
109.02946	20.2
110.00116	2.8
111.00895	3.4
113.02459	5.7
117.97327	1.8
123.00900	18.6
123.04535	14.2
123.99883	2.7
125.00680	4.2
125.02435	2.4
126.98622	3.6
133.02948	2.2
134.03709	1.6
134.97604	2.1
135.98370	9.5
136.98814	2.4
138.98615	19.8
139.00415	4.1
139.99382	8.0
141.00208	2.1
151.00403	3.6
152.01163	13.4
153.00136	1.8
153.01947	54.7
154.00955	29.9
154.98100	69.1
155.01712	4.6
155.98904	10.3
164.98302	3.7
165.02008	1.9
165.99081	3.0
166.02675	1.6
167.03528	27.1
170.00446	35.0
170.01820	2.6
171.01224	39.4
175.02507	2.7
175.04065	1.6
177.02020	1.6
181.05145	2.0
185.02802	2.6
195.02951	3.4
207.72208	1.4
209.04572	2.0
239.42567	1.4
254.98206	2.5
259.02863	6.6
270.07587	1.5
296.05469	3.0
297.06189	64.9
298.01389	2.9
298.06363	1.6
299.02032	14.2
300.02753	21.1
304.20761	1.6
311.07742	26.3
313.03595	4.1
314.04361	10.3
315.05148	17.8
329.06723	19.2
355.37991	1.6
395.00806	29.3
421.07944	2.5
468.07001	2.2
469.07791	7.5
483.09711	100.0
484.10019	4.5
491.12091	20.1
514.22614	1.6
553.10681	1.9
571.11871	29.6
572.12164	3.0
590.29803	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03450	1.5
59.01385	1.5
65.00329	2.3
65.99850	1.5
69.03477	1.4
69.18827	2.9
69.19230	3.2
69.74666	1.0
71.01393	1.4
85.02944	1.3
87.43602	1.3
93.03481	2.3
95.01392	9.5
96.99251	1.0
97.02966	3.6
99.00883	14.0
107.51437	1.0
109.02949	1.3
111.00898	11.1
113.02489	1.0
117.03474	1.3
119.05025	12.1
120.61853	1.0
121.02979	2.6
123.00871	8.7
124.01652	4.5
124.38573	1.1
125.02467	27.8
136.98822	2.8
139.00380	10.7
141.01958	100.0
142.02234	1.5
143.05022	2.2
149.02388	1.6
151.00381	4.0
152.01115	4.7
153.01950	41.6
154.02286	1.4
164.98309	2.4
165.01945	5.2
166.99867	2.3
171.04570	1.9
173.06105	3.0
180.00648	1.3
185.06174	1.8
193.01436	4.9
201.05609	2.5
225.05559	4.3
227.07094	1.8
241.05115	1.6
243.06622	16.9
249.56146	1.1
253.05045	4.2
255.06419	1.6
269.04459	7.7
269.07004	1.1
270.07678	2.2
271.06119	46.1
272.06485	1.8
281.04373	1.7
283.06137	1.9
287.05640	62.2
288.05853	2.5
299.05609	41.1
300.06052	2.3
391.04355	1.8
422.08521	1.4
423.05478	1.2
425.09164	1.7
571.12433	10.0
572.13104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
65.00317	3.6
65.99861	1.1
67.10329	0.9
68.99792	1.4
69.95813	3.0
79.01896	6.7
83.01399	1.1
93.03468	2.6
95.01383	6.1
96.99313	1.5
99.00889	1.5
109.02956	1.4
111.00892	9.2
118.05212	0.9
119.05032	45.2
120.05352	1.3
123.00887	4.5
124.01665	7.4
124.98866	1.3
125.02413	2.9
135.00812	1.1
136.00453	1.5
136.01648	1.3
136.98787	5.6
139.00392	17.2
141.01955	3.2
143.05057	1.5
145.02936	1.3
151.00386	7.9
152.01210	5.3
153.01941	27.3
157.06534	1.5
161.02455	1.4
164.98315	1.4
165.01906	2.7
166.99893	18.0
169.06680	1.6
171.04471	1.4
173.06020	1.2
178.99881	17.9
181.01439	11.3
185.06004	1.3
193.01410	3.7
201.05537	1.6
213.05602	1.8
225.05573	3.4
241.05006	2.5
243.06618	16.4
253.04991	3.5
255.06555	1.7
257.04471	1.7
259.06128	3.5
268.06223	1.9
269.04517	6.4
270.07657	2.0
271.06110	48.4
272.06384	2.7
283.06113	2.2
285.06927	1.0
287.05618	100.0
288.05914	2.8
299.05627	55.4
300.05835	2.1
311.16501	3.2
406.09164	1.2
458.91208	1.1
465.13254	1.7
499.10104	1.0
526.77570	1.1
527.12683	1.0
571.11810	13.8
571.25793	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	571.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
59.44896	0.2
61.98836	5.5
75.49922	0.2
78.03498	2.1
79.61821	0.2
99.20474	0.1
119.05005	0.2
120.04591	0.2
120.38390	0.2
122.02496	100.0
123.02875	1.0
136.04037	0.9
137.06155	0.2
147.08218	0.3
150.05637	0.5
151.04088	0.2
152.04846	1.1
178.05107	0.2
190.05038	0.2
211.14949	0.9
223.11406	0.2
238.13757	0.2
253.16022	2.3
281.15665	0.3
320.16476	0.2
325.14508	0.6
391.29111	0.2
420.18668	0.2
448.17526	1.0
571.20935	3.0
572.21478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	34.6
61.98824	19.0
69.63338	29.1
71.01382	13.7
78.95893	10.9
81.03454	16.2
85.02931	8.9
93.03468	10.2
96.96031	10.4
99.04539	40.5
101.06111	10.1
104.63365	9.2
104.69212	7.8
117.03497	11.1
119.05054	45.0
122.02499	100.0
122.03353	11.5
127.63705	7.9
135.04559	18.5
137.02477	19.1
190.03336	8.1
220.54123	11.2
285.12540	10.5
442.19064	11.0
486.65778	9.3
528.22681	12.9
571.22125	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	571.2341
Annotation	Pulcherrimin C
Peak:m/z	Relative Intensity
58.82853	0.3
58.85973	0.3
59.14202	0.3
71.41285	0.5
75.61150	0.3
77.54552	0.4
78.95522	0.5
78.95908	2.4
96.96944	0.6
119.05038	0.7
121.02966	100.0
122.03290	1.5
125.46944	0.4
135.04529	1.2
137.91585	0.4
145.02931	0.4
149.06085	0.4
152.99620	3.8
213.16580	1.3
241.01230	1.6
255.17575	1.7
255.23302	3.3
283.16919	0.4
325.18509	0.6
327.16299	0.4
421.20029	0.4
449.19595	0.6
499.26022	0.4
500.10431	0.4
571.22589	1.7
571.29083	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	571.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98830	2.7
69.48861	13.4
71.01389	27.0
85.02968	8.0
89.02467	33.3
95.01373	3.6
96.96014	21.0
101.02438	19.8
112.07534	3.1
113.02484	15.8
114.40364	2.4
114.93345	3.0
119.03504	19.4
119.05051	6.9
132.85452	2.7
140.49493	3.0
143.03491	4.1
161.04607	3.6
164.98320	6.1
179.05598	6.5
190.02789	3.6
190.99913	2.8
205.05093	5.2
218.89421	3.3
285.04254	3.3
511.25500	79.2
512.25690	4.4
571.11017	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	571.2773
Annotation	Forskoditerpenoside A
Peak:m/z	Relative Intensity
55.01886	1.3
56.25157	0.8
57.03453	2.0
59.01387	100.0
61.53852	0.7
61.98826	2.2
68.99833	1.0
69.26612	4.4
71.01390	43.6
72.99301	1.0
73.02951	6.8
83.01402	3.5
83.05025	1.3
85.02958	10.0
87.00883	1.6
89.02457	43.1
92.05076	1.0
93.03494	1.1
95.01428	3.9
97.02962	0.9
99.00883	1.3
99.92606	2.6
101.02452	28.1
109.02985	0.8
113.02462	19.5
115.92107	2.3
116.92887	1.8
117.03490	4.6
119.03530	16.8
119.04980	6.5
121.02920	0.8
122.02502	7.8
125.02492	1.6
131.03488	2.0
135.04582	2.2
136.04060	3.1
137.02451	1.4
143.03520	3.9
145.02980	0.9
149.04588	1.6
161.04579	9.5
167.03528	1.3
179.05637	6.7
202.04933	1.0
241.08752	0.9
285.04208	1.2
303.19678	2.1
310.51294	0.8
323.22327	9.8
349.20221	37.4
350.20499	1.4
391.21396	3.3
409.05753	0.9
409.22382	2.4
413.12283	5.0
467.26663	1.4
485.27554	1.9
511.09180	3.0
571.27612	11.7
579.73425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2894
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
58.67042	0.5
61.96598	0.4
61.98807	0.6
62.96416	0.5
64.18055	0.5
64.28598	0.5
64.88890	0.5
69.45969	0.5
69.87100	1.9
78.95909	73.3
84.54010	0.6
96.96967	16.6
98.22574	1.0
150.98004	0.8
152.99600	60.7
171.00650	1.0
191.48785	0.5
197.52505	0.6
223.00148	1.5
241.01208	33.1
241.21243	0.5
242.01463	0.6
255.23308	75.2
256.23630	3.3
315.04868	10.5
385.26218	0.6
391.22556	7.0
448.01096	0.6
571.28894	100.0
572.29236	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	571.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43731	8.3
55.48016	6.6
59.01387	100.0
61.98838	17.3
65.00346	6.9
71.40654	9.3
101.02456	8.7
115.92081	9.6
116.92876	48.5
118.10818	8.0
119.05044	35.6
122.02458	43.6
130.73109	8.3
135.04539	18.9
149.72243	8.0
164.98305	12.9
171.07732	8.3
183.51009	7.8
210.56445	7.6
285.04050	30.1
286.04794	27.2
349.70215	8.2
470.86414	8.6
471.18411	8.1
571.21417	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	571.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43564	0.7
59.01385	55.1
61.98816	1.8
64.52508	0.8
65.37059	0.8
69.25604	1.9
69.26016	2.1
71.01019	1.3
71.01391	18.6
72.99324	0.7
73.02939	6.2
83.01402	1.1
83.05578	0.6
83.81774	0.8
85.02962	4.5
87.00877	2.5
88.58704	0.8
89.02452	9.7
95.01400	1.4
100.50105	0.7
101.02452	11.8
113.02473	7.2
116.36813	1.0
119.03498	3.3
122.02484	2.9
124.43906	0.7
125.12930	0.8
136.04021	1.1
146.91298	0.9
167.14333	1.1
183.13910	8.4
191.14388	1.8
195.13913	21.6
197.15411	0.9
198.52312	0.8
200.10312	0.7
209.15408	2.1
213.14986	41.3
214.15353	1.0
227.16545	3.1
237.14951	2.0
255.16174	3.7
273.14929	0.8
293.21069	0.9
357.19257	13.4
358.19791	0.9
375.20288	26.8
376.20581	1.0
557.06927	0.9
571.34937	100.0
572.35083	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	572.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21615	3.1
53.08191	3.1
65.00326	33.8
65.99851	13.6
68.99828	8.0
70.91198	3.8
70.91516	4.2
84.97504	4.2
96.99317	5.6
97.98354	4.3
99.98633	7.8
101.28312	3.5
103.94727	3.5
111.00800	4.2
119.05018	5.0
127.81283	3.2
127.98139	4.9
131.05029	3.7
134.02415	5.2
136.00430	29.4
136.01357	4.7
136.98779	16.5
139.00360	6.2
140.96500	7.3
141.95070	3.4
141.97273	19.9
145.06689	4.0
146.42441	3.5
151.00343	4.0
152.01140	7.5
163.99905	21.9
164.98312	35.9
165.00490	4.0
166.01392	3.7
168.96007	6.5
169.96822	17.3
171.04564	10.0
173.06093	8.3
175.99895	12.8
195.97116	11.3
196.95505	20.3
197.96260	18.4
199.04132	4.6
213.05577	6.3
224.07256	7.7
225.05632	5.5
226.05086	4.7
226.08632	3.6
240.04442	3.8
240.06622	7.8
240.84840	4.2
241.05069	11.4
242.08276	14.6
243.06599	20.7
255.06613	6.7
257.02512	4.1
268.03329	6.4
268.06152	100.0
268.54550	3.9
269.04501	92.4
269.06619	6.5
270.04868	12.0
270.07703	27.2
271.06058	50.4
280.06125	22.7
294.07446	4.7
296.05774	4.6
300.03375	54.4
301.01672	59.7
302.02292	48.4
302.05417	7.8
303.03296	43.1
352.08209	10.9
366.06210	4.8
393.85092	3.7
406.09271	32.2
410.08557	4.4
434.09042	16.6
540.13031	32.3
572.08380	5.0
572.15564	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	572.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.9
61.98836	2.5
65.00329	23.2
68.99850	1.8
69.07049	7.5
69.07455	3.6
71.01388	1.9
75.00920	2.0
75.30863	1.6
78.95930	2.1
79.81327	1.5
80.01436	1.7
82.35517	1.7
83.01414	1.6
85.02985	1.9
92.99831	3.2
93.03481	4.1
95.01401	2.6
96.00914	5.0
96.95394	1.9
96.96016	33.4
96.96973	3.7
96.99309	3.9
98.21957	3.3
99.92588	6.9
100.93364	5.2
104.01444	4.2
104.88188	1.6
109.02901	1.8
110.00111	2.7
110.02515	1.8
111.00887	3.0
113.02475	1.5
115.92112	9.1
116.92879	50.9
116.93717	2.5
117.03506	1.7
119.05041	100.0
120.00990	1.6
120.05392	1.7
120.99324	2.9
122.02519	4.0
124.00420	1.9
128.03659	1.5
136.00414	13.1
136.04083	3.0
136.98816	25.7
138.01990	6.0
139.00389	4.6
140.03517	4.3
143.05022	3.9
145.02983	4.0
150.02014	1.7
152.03557	8.9
153.01936	2.3
161.06128	1.8
163.00468	1.7
163.99915	10.7
164.98311	63.1
165.99117	7.3
166.01451	10.5
166.99841	3.2
177.00676	2.3
178.01390	3.4
180.03041	7.6
187.04013	4.1
190.05185	2.0
191.99403	12.7
192.03151	3.5
194.00905	3.1
203.99397	6.1
205.00047	2.6
208.02519	3.8
216.03165	1.8
220.02548	3.7
229.05052	4.8
234.04153	4.1
241.05103	7.8
242.04599	1.9
244.02562	2.3
244.06131	4.0
248.02029	3.4
256.06094	3.3
257.04550	6.7
258.07507	1.9
260.02026	2.2
262.03616	3.4
269.04684	2.0
278.04712	2.2
284.05679	13.7
285.04056	95.4
286.04434	5.9
286.07251	22.1
312.01587	1.9
312.05176	24.6
314.06665	16.0
318.07346	1.9
324.05209	8.7
330.06229	8.8
336.36435	1.5
340.04532	3.9
340.08185	2.8
342.06155	3.7
356.07693	2.1
364.08173	3.6
366.05988	5.9
367.06955	6.8
380.07999	7.4
382.09445	8.8
402.65814	1.7
406.05481	3.2
408.07260	19.3
425.83807	1.7
426.08469	7.8
434.05005	5.4
496.98969	1.6
510.12390	8.2
526.11285	8.0
528.13043	5.5
554.10956	24.1
572.10602	2.2
573.12463	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	572.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05959	1.2
54.81825	1.4
56.94980	1.3
59.01396	7.3
61.98834	8.7
65.00330	31.2
70.14952	2.5
77.39169	1.2
80.01443	1.4
83.01409	2.1
87.14870	1.4
92.99826	4.3
93.03462	4.2
96.00954	2.8
96.96029	10.3
96.99309	8.7
97.43425	1.3
98.21979	1.3
104.01424	3.3
108.99362	1.6
109.02980	1.8
110.00095	3.4
110.02463	1.9
111.00890	2.5
117.03497	1.8
119.05042	77.3
120.05386	1.3
120.99349	3.3
122.02485	2.7
124.00437	1.9
127.64591	1.2
127.65542	1.3
136.00404	7.2
136.98825	24.5
138.01982	5.0
139.00398	2.4
140.03566	4.4
142.69682	1.3
143.03714	1.3
143.05040	4.7
145.02954	2.1
152.03603	9.7
152.04628	1.9
156.01028	1.7
161.06189	2.2
163.99922	6.6
164.03551	2.3
164.98315	62.3
165.99190	6.6
166.01520	9.6
173.06151	1.5
178.01486	2.3
180.03041	8.5
185.06059	2.1
187.04012	3.4
190.01405	1.4
191.99373	10.0
192.03014	2.4
192.71751	1.2
196.07735	1.4
197.06041	1.8
198.51556	1.2
203.99388	4.3
207.01782	2.0
208.02518	7.4
213.05652	1.7
215.03511	1.9
215.94150	1.4
216.03105	1.4
218.00963	1.8
229.05162	7.4
241.05064	6.7
244.02457	1.6
248.02011	1.7
255.20854	1.3
256.06070	2.1
257.04587	5.7
284.05789	7.6
285.04071	100.0
286.04385	4.8
286.07233	19.7
289.61493	1.6
296.05716	4.3
296.79871	1.4
302.47049	1.5
312.05185	14.9
314.06732	33.5
315.06918	1.6
324.05130	9.8
330.06137	4.3
338.06555	2.0
340.04663	3.7
342.06244	4.1
356.07761	2.5
364.08316	1.6
366.06079	4.0
367.06815	2.7
380.07776	3.3
382.09235	5.3
406.05344	2.2
408.07233	8.8
434.05518	1.9
486.12616	1.6
501.68771	1.4
510.12051	4.1
526.11664	5.3
528.12891	3.8
554.11078	11.7
572.27850	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	572.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	14.8
65.99866	7.2
68.99824	11.2
69.83806	11.5
82.34408	3.6
83.01422	5.6
85.71578	3.1
101.02464	23.3
107.01422	4.9
108.57243	2.9
110.02453	5.7
111.00845	3.8
121.86015	3.3
123.03253	4.6
123.72218	3.2
132.04541	3.5
134.02490	7.4
136.00412	27.3
136.98796	5.0
143.05055	11.5
145.06586	4.3
151.00378	6.3
153.01952	3.6
157.01437	14.4
163.99927	20.0
165.00659	3.5
166.01500	4.1
167.05005	18.1
171.04524	9.4
173.06104	5.3
175.99847	5.8
182.06126	3.8
183.04539	12.5
190.06645	4.7
192.98730	3.7
197.96286	3.5
210.05551	4.7
211.03996	10.1
213.03732	3.7
213.05585	9.1
227.03477	3.4
228.06720	4.9
234.05544	11.4
236.07269	4.9
240.06570	5.8
242.06006	6.0
242.08209	36.2
243.06638	27.6
252.06621	8.3
255.06642	56.1
256.06168	20.8
257.04504	5.2
266.05008	3.2
268.06158	68.6
269.04492	8.8
269.07040	4.2
270.05154	4.5
270.07724	100.0
271.06000	19.4
278.04559	16.1
280.06122	14.7
284.05630	31.8
293.06998	6.5
294.07755	6.0
296.05786	7.4
301.02136	3.9
306.04074	35.9
308.05655	6.2
322.07117	11.2
350.34793	4.0
366.11438	6.0
382.10974	11.0
384.12482	17.2
394.10638	7.4
408.07309	4.9
410.10312	49.9
411.10251	3.6
412.12003	58.5
413.12708	3.6
436.12103	5.3
438.09717	5.5
480.10843	49.7
496.14322	9.6
508.10330	5.6
512.13416	3.8
540.13086	82.3
541.13354	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	572.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.6
65.00343	6.7
65.99852	6.0
67.69508	2.1
68.99820	3.0
69.23114	10.4
70.46232	2.0
77.75626	2.2
81.03497	3.8
83.01397	6.4
92.65124	2.1
95.01403	5.1
96.99403	2.7
98.02533	2.5
99.00943	2.3
111.00882	5.6
112.98869	2.3
118.03033	2.3
123.00925	2.4
124.00405	5.0
124.98813	3.6
133.02960	3.4
134.02483	3.2
135.03313	2.9
136.00430	5.9
137.02544	3.1
138.01984	2.4
139.00386	9.6
141.01984	2.7
146.02507	3.6
151.00383	4.3
151.02792	3.2
154.99857	3.7
162.05591	2.6
163.99870	3.3
164.03513	2.3
164.07239	2.9
165.00713	2.4
165.02002	3.0
166.01379	2.6
166.99997	3.5
167.99359	2.1
169.06573	4.3
171.03238	2.2
171.04500	10.8
175.99956	5.8
176.03580	3.9
184.04074	2.3
188.03517	2.2
188.07176	3.0
190.01529	3.1
192.03117	3.4
193.01521	4.8
199.02791	2.1
200.03568	4.9
202.01591	2.4
206.04718	3.2
212.05678	2.7
213.05626	5.6
214.05106	2.7
216.03084	5.4
225.05606	3.3
241.05200	2.6
242.08237	14.8
245.08200	4.1
252.06725	4.6
255.06639	5.7
266.04630	2.3
266.08099	2.5
268.06097	9.9
269.04694	3.3
270.07690	27.7
271.05884	4.8
271.08542	2.8
272.06561	3.9
280.06223	7.1
292.06741	2.9
292.09830	9.1
294.07809	14.3
294.63788	2.1
296.05591	5.8
296.09061	2.6
299.05621	5.5
300.05942	5.9
301.22766	2.2
306.07651	2.1
310.69000	2.2
312.01685	4.1
320.09430	7.6
334.10876	6.5
336.08786	3.4
336.12451	26.3
348.08887	7.9
352.08038	3.2
362.10556	2.7
364.08310	11.0
374.06970	7.4
378.09811	2.6
378.13626	14.9
380.07721	8.7
388.08487	8.8
390.10101	3.1
406.09595	16.0
408.07620	3.7
416.07626	17.5
423.09286	4.1
424.10550	16.5
457.20517	2.8
466.11438	100.0
467.12088	5.9
484.17770	30.1
484.24216	2.7
489.09866	2.2
496.12875	2.8
528.12878	2.5
554.14325	6.3
572.15778	78.2
573.15887	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	572.2291
Annotation	Scutebarbatine C
Peak:m/z	Relative Intensity
59.01376	0.2
61.98822	0.2
78.03487	1.8
85.02954	0.2
92.49056	0.1
94.02995	0.1
96.50694	0.1
119.05028	0.3
120.04546	0.2
121.02969	19.1
122.02489	100.0
123.02825	1.0
133.05649	0.1
135.04524	1.1
136.03993	0.2
141.21484	0.1
146.02496	0.6
149.06099	0.3
150.05597	0.1
160.04039	0.1
160.20393	0.1
174.05582	0.1
188.94116	0.1
213.16487	1.3
229.38565	0.1
255.17567	1.9
255.20026	0.2
282.07431	0.1
283.17020	0.2
327.16034	0.5
335.20184	0.2
350.17630	0.3
404.18707	0.3
422.19690	0.4
449.19803	0.5
450.19241	0.6
450.24783	0.1
529.89185	0.1
544.23492	0.2
572.22906	4.0
573.23309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2294
Annotation	Scutebarbatine C
Peak:m/z	Relative Intensity
55.51774	0.1
55.53404	0.1
59.01387	0.2
64.17709	0.1
78.03506	0.5
85.02966	0.1
93.03482	0.9
97.03000	0.2
119.05125	0.2
120.04562	0.5
121.02972	100.0
122.02498	36.5
122.03236	1.3
122.04053	0.2
122.04238	0.1
123.02851	0.3
135.04536	0.7
136.04051	0.6
137.02477	1.2
147.08214	0.2
149.06133	0.2
150.05701	0.3
159.02512	0.1
174.05577	0.3
181.61533	0.2
213.16487	1.4
226.31598	0.1
255.17580	2.4
283.17191	0.2
327.16055	0.6
336.19809	0.2
360.20078	0.1
378.20609	0.2
422.19812	0.2
449.19653	1.2
450.19391	0.3
544.23712	0.3
572.22931	3.8
573.23328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49334	0.7
59.01385	100.0
60.01743	0.8
61.98845	1.3
69.53156	0.6
71.43211	0.6
72.88392	0.6
75.29133	0.6
97.02995	0.8
122.02481	7.4
127.64054	0.6
136.60258	0.7
148.67009	0.6
179.29301	0.6
285.03915	0.7
357.52420	0.7
512.23401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65097	0.4
57.03451	1.5
59.01383	100.0
61.98833	1.7
65.00337	1.1
69.79885	1.4
73.02956	0.4
81.03495	0.5
83.01380	1.1
93.70124	0.5
98.22660	0.5
107.01475	0.5
109.02978	0.5
110.02509	1.3
111.00874	0.8
119.05038	4.0
125.02460	9.6
125.03326	0.7
135.04559	1.1
136.00429	1.6
136.98788	0.5
138.01979	5.1
151.00407	1.9
161.02461	2.2
163.99922	2.3
183.49577	0.5
242.08170	0.7
243.35484	0.4
256.06146	0.5
268.06277	0.8
269.04538	1.1
271.06259	3.6
284.05658	4.9
287.05624	3.7
289.70157	0.6
300.05258	5.4
359.86975	0.4
379.99469	0.4
410.08844	0.9
531.34229	0.6
572.12097	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	572.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57547	2.1
59.01387	100.0
61.98824	4.0
69.85494	6.6
87.54783	2.5
89.02401	2.6
122.02499	26.3
136.04031	4.1
273.15216	5.3
277.03766	2.1
308.05844	2.2
410.89072	2.3
572.34711	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	572.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11485	1.2
54.60582	1.4
55.77368	1.5
59.01382	4.1
61.98835	8.5
65.00324	1.7
73.75886	1.3
78.03481	2.0
78.95918	1.7
93.03469	4.8
110.86980	1.5
113.02391	1.9
119.05042	7.5
122.02496	100.0
123.02815	2.1
135.04529	1.7
136.04033	1.5
137.02443	6.4
187.04099	1.5
194.02313	1.2
247.13077	1.4
274.20032	1.3
285.04108	2.0
286.04562	2.1
286.07449	2.5
356.66019	1.5
572.22717	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	572.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20541	0.6
58.49229	0.7
59.01392	6.7
61.98843	3.6
69.19807	4.1
78.03505	2.4
80.56448	0.6
94.71273	0.7
98.02514	0.7
115.04021	2.4
116.92870	1.3
117.03481	2.5
119.05057	1.9
120.20026	0.7
122.02501	100.0
123.02850	1.4
135.04562	1.7
193.80875	0.8
196.02545	0.7
197.01031	0.7
198.96529	0.7
255.03105	1.1
325.06671	0.8
365.19931	2.2
379.17853	1.0
479.21063	1.2
541.20715	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	573.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79153	0.4
59.01380	1.6
69.53043	1.7
73.02948	0.7
79.95744	3.2
82.60754	0.4
82.88677	0.4
85.02953	0.7
88.31577	0.5
96.96021	100.0
98.21857	0.5
101.02428	0.9
109.09196	0.5
113.02465	1.2
116.92847	1.1
135.04375	0.4
152.01154	0.4
165.99176	0.4
175.02534	0.6
184.77899	0.4
184.97961	0.4
195.16005	0.5
196.49284	0.5
221.89069	0.4
268.06207	0.5
269.06689	0.7
284.03271	2.1
299.05707	2.7
323.99402	0.5
339.98993	0.6
353.97354	0.5
382.00031	1.2
383.33273	0.4
393.99780	0.5
397.02344	1.0
399.26651	0.5
409.02249	0.5
436.01382	0.6
451.03778	0.5
507.15781	0.4
509.03784	0.5
573.22101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04797	1.2
53.00323	1.3
65.00326	15.4
65.80567	1.1
65.99889	1.0
68.98052	2.6
68.99830	4.3
69.98843	1.0
72.97520	5.4
80.98064	3.4
84.97550	1.6
90.51595	1.2
92.99845	3.2
96.96073	1.3
96.97559	4.2
96.99311	2.1
97.98317	4.0
110.00083	1.5
111.00896	2.1
112.97056	1.5
113.97807	1.3
120.99286	2.1
124.01654	5.5
128.96545	5.9
136.01683	1.4
136.98834	14.2
139.00374	4.1
140.96550	12.6
141.07178	2.6
141.97302	8.6
152.01160	3.6
153.97375	1.4
157.06546	1.4
161.02473	1.4
164.98305	27.3
165.98984	1.4
166.99890	1.7
168.96078	8.4
169.06590	4.5
169.96802	7.2
171.04544	2.1
171.08212	2.4
173.06117	3.5
175.99870	1.9
181.06583	4.2
182.97665	1.5
185.04424	1.3
185.06068	1.9
196.95543	25.0
197.06107	3.9
197.96292	8.4
198.97115	2.7
199.04005	2.6
201.03807	1.4
203.01764	2.6
209.96281	5.8
213.05589	1.8
225.05702	6.8
227.06975	3.1
229.03159	1.8
239.03462	1.4
241.05156	11.4
243.06601	18.9
243.08806	1.7
245.02740	2.6
253.05072	3.5
257.02768	4.5
267.02966	2.7
268.06082	1.5
269.04550	69.1
270.05121	4.7
271.06128	39.1
272.06598	1.9
273.02185	2.6
274.03107	2.0
275.03824	2.6
280.06067	1.6
285.02249	9.3
301.01773	76.9
302.02499	20.5
303.03357	100.0
304.03690	2.7
356.07626	1.3
438.70935	1.3
573.08179	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	573.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72579	0.8
63.82232	0.8
65.00326	19.9
68.98025	4.0
68.99815	4.0
69.98793	0.8
72.97521	4.9
80.98056	5.3
83.01409	1.1
92.99828	4.0
93.05320	0.9
95.01392	1.1
96.97547	4.6
96.99325	5.9
97.98325	2.2
98.21798	1.7
111.00892	2.9
113.97790	2.0
120.99307	1.9
123.00915	1.1
124.01662	4.3
128.96532	6.7
133.03868	0.9
136.01640	0.9
136.98814	13.8
139.00357	3.3
140.96536	15.7
141.07089	2.3
141.97336	7.2
142.39876	0.9
142.98067	1.1
143.05022	0.9
152.01138	2.9
153.97304	1.0
154.98059	1.6
156.07260	0.8
164.98303	34.7
166.99815	1.7
168.96013	10.0
169.06580	2.6
169.96828	4.9
171.04517	3.6
171.08197	1.4
173.06097	3.3
177.99063	1.0
181.06577	2.8
181.96744	0.9
182.97591	1.3
185.06105	2.0
196.95509	26.1
197.06114	2.6
197.96300	5.9
199.04056	1.9
201.05583	1.2
203.01617	1.1
209.96251	5.0
213.05569	3.2
223.04085	1.3
224.04694	1.3
225.05608	5.1
227.03629	1.5
227.07083	1.0
241.05125	8.8
242.08218	0.9
243.06621	16.8
245.02774	3.4
253.05023	3.4
257.02728	1.2
263.12033	0.9
267.03003	1.4
268.06116	1.1
269.04565	100.0
270.04880	3.5
270.07590	1.6
271.06137	34.6
273.02283	3.2
274.03070	1.1
274.10031	1.0
285.02164	4.1
296.05811	1.1
301.01776	81.3
301.99249	1.5
302.02527	21.1
303.03320	25.0
523.26611	1.0
555.11487	1.1
573.07898	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	573.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82184	1.1
55.01875	1.1
59.01373	2.1
65.00330	21.9
67.01862	1.6
68.99835	1.7
71.01386	2.0
71.39823	1.4
83.01392	3.0
83.95146	1.0
92.99815	4.6
95.01385	4.4
96.95959	1.4
96.99335	7.1
97.02971	2.3
99.00883	12.0
108.99329	1.3
109.02956	2.7
110.00143	1.7
111.00891	30.9
113.02458	1.6
113.06238	1.1
117.03481	2.0
120.99316	3.4
121.02927	2.4
123.00899	7.6
125.02408	1.8
127.03394	1.2
131.09567	1.1
133.02969	1.9
134.03746	2.4
135.00906	2.3
135.04541	10.1
136.98827	18.2
139.00386	34.2
141.01958	50.5
149.99605	2.5
151.00404	3.0
151.03979	1.2
152.01187	1.5
153.01938	4.8
159.04533	2.1
161.02455	10.2
163.04062	1.3
164.98318	34.4
165.99142	1.3
166.99872	10.5
167.03438	1.4
169.01427	4.3
169.06583	1.9
171.04535	4.7
177.01920	3.8
177.99115	3.6
178.99870	9.6
181.06670	1.6
185.06161	1.8
185.37801	1.1
193.01454	3.4
195.02979	1.6
197.06102	1.3
199.04048	4.4
201.01938	1.7
202.85605	1.1
204.97803	1.8
205.98540	1.7
211.04008	1.6
213.05531	2.5
215.03583	2.5
221.00926	1.1
225.05501	3.0
239.96999	1.2
241.05077	12.6
243.06496	1.4
245.00841	1.6
247.07233	1.2
249.09100	2.1
253.05008	2.1
257.04691	1.2
261.04004	2.1
263.07281	1.4
269.04565	100.0
270.04913	3.7
271.06131	2.6
301.03503	9.2
303.05124	29.4
305.08243	1.9
307.06165	4.5
321.07687	1.9
329.03052	7.0
331.04684	2.6
341.02988	8.8
347.03995	5.2
349.07126	4.8
357.02249	2.0
357.06357	2.2
365.06796	1.4
367.08002	3.4
384.04999	1.5
393.05786	1.3
423.07343	2.3
511.10562	7.6
527.09766	4.7
529.11383	22.4
530.11481	1.3
555.09357	13.6
573.10114	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	573.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
61.72106	1.2
62.22220	1.5
63.19016	1.5
65.00324	15.0
68.99826	3.0
69.41631	3.1
69.42013	3.6
83.01388	2.5
95.01386	3.1
96.96046	1.8
99.00882	12.9
109.02950	1.5
111.00165	2.3
111.00890	29.8
117.03423	2.6
123.00891	3.9
125.02467	1.8
127.50157	1.5
133.02902	1.8
134.03699	2.7
135.04526	7.8
136.98816	15.5
139.00380	30.9
141.01952	26.5
147.04395	1.6
149.02463	1.9
151.00351	2.0
153.01942	3.2
159.04465	1.4
161.02454	7.0
164.98254	6.5
166.99893	7.4
169.01456	1.7
169.06631	5.3
171.04538	14.9
177.01880	1.8
178.99872	7.6
181.01505	1.8
193.01402	4.0
195.02913	1.9
201.01936	1.8
213.05598	3.1
215.03641	1.3
220.59163	1.5
225.05501	2.1
229.05028	3.3
241.05103	38.2
243.06635	3.0
249.09286	2.0
253.05081	2.0
269.04562	100.0
270.04788	3.4
271.06100	5.1
272.06500	1.4
281.50854	1.5
298.26166	1.6
301.03519	7.0
303.05115	17.4
304.05783	1.8
307.06158	4.9
329.02957	4.7
341.02945	5.5
347.04123	4.2
349.07108	5.5
357.06158	4.3
367.08188	2.7
376.36560	1.8
383.04242	1.7
384.05292	1.8
511.10260	8.3
527.09705	3.4
529.11237	17.3
555.09302	12.3
573.10608	1.5
573.23840	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	573.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	38.3
71.01382	12.4
73.02935	10.8
89.02479	7.7
89.87180	6.3
93.03476	9.2
95.37178	6.5
96.96022	9.2
100.21883	6.9
101.02417	7.5
117.03515	7.3
119.05026	27.6
121.44939	6.0
135.04527	25.0
136.04869	8.6
137.02385	9.0
139.00339	8.7
151.80539	7.4
153.01959	24.5
161.02519	14.3
166.99792	12.1
178.06425	9.9
180.04021	9.2
181.10974	6.9
187.04189	6.6
220.05553	6.9
267.35773	8.0
285.04068	100.0
286.04349	36.5
287.05374	54.3
331.66843	7.3
529.26752	7.8
573.20740	15.0
573.29279	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	573.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45929	1.5
69.46340	1.5
71.85864	0.5
78.95916	9.1
79.95744	2.9
96.96024	100.0
96.96940	16.3
113.02500	0.5
131.78223	0.5
158.67706	0.6
181.48079	0.7
265.61774	0.5
285.03815	0.7
316.90982	0.5
365.00009	0.6
367.07159	1.1
513.13092	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	573.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68585	1.1
59.01381	10.8
59.07739	1.1
71.01386	2.2
71.41764	1.4
73.02975	1.3
93.03465	30.5
96.95975	1.2
101.02443	2.6
113.10363	1.1
119.05045	2.5
124.23830	1.2
135.04503	1.6
137.02461	100.0
138.02779	1.2
240.11534	1.2
265.15179	1.2
285.04132	2.1
351.15448	2.2
513.27704	1.1
529.19415	4.1
529.26544	1.5
537.24359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12139	0.2
58.15578	0.2
59.01380	0.3
61.24986	0.2
65.99860	0.5
69.76616	0.8
78.03484	1.4
78.03877	0.2
80.32361	0.2
87.89890	0.2
90.92027	0.2
94.02998	0.3
98.21935	0.4
120.04549	0.5
122.02495	100.0
123.02840	1.0
136.00398	0.3
136.04031	1.1
146.02531	0.2
148.60457	0.2
150.05666	0.5
154.99863	0.3
171.04524	0.4
174.05539	0.3
213.16447	1.4
216.40651	0.2
218.04492	0.3
242.08208	0.3
255.17519	1.8
268.06256	0.3
269.04471	0.5
270.07874	1.1
278.08350	0.4
280.06070	0.4
296.09134	0.3
313.62012	0.2
322.07297	0.5
327.15912	0.4
335.07422	0.2
348.08633	0.5
349.09354	0.6
350.06735	0.5
350.17532	0.4
366.06213	0.3
378.20828	0.3
422.19962	0.5
424.06094	0.3
450.19342	1.0
467.11823	0.5
502.38196	0.3
554.28619	0.3
573.15698	0.7
573.23059	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	573.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59943	2.5
55.27765	2.6
55.59439	2.4
59.01387	17.1
59.13722	2.4
61.98827	9.5
65.00311	3.8
71.01389	3.8
71.16746	3.6
78.79360	2.8
81.03442	3.2
84.39566	3.0
87.00851	3.7
93.03471	12.6
97.70301	2.5
104.68178	3.0
117.03480	79.1
119.05035	10.4
122.02479	7.1
133.02899	3.2
135.04558	11.9
139.32301	2.7
143.05060	4.5
145.02925	4.0
159.04530	11.8
161.02364	4.5
167.03529	2.7
183.04520	10.5
185.02415	5.9
187.04002	5.2
200.04787	9.8
201.05559	33.9
212.36098	2.7
221.06120	9.5
227.03532	15.5
229.05038	6.5
250.06290	3.3
255.03030	28.5
259.13400	5.6
277.14465	8.2
287.12897	4.7
307.16943	3.2
329.13937	8.3
337.17679	3.4
351.16077	12.3
369.16986	10.0
377.17615	7.2
379.17691	18.4
386.15707	3.5
387.16278	7.8
393.16833	3.1
395.18427	4.0
403.17664	21.4
404.00253	2.9
405.17188	26.6
423.18094	5.5
469.22653	4.6
479.20764	59.5
480.21396	4.3
497.21896	32.8
523.19672	13.3
541.20807	100.0
542.21405	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	573.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.4
61.48495	5.8
61.98837	84.0
63.90060	5.1
71.41494	8.9
103.01524	6.8
115.04030	24.9
121.02981	15.4
122.02507	100.0
135.04591	10.2
205.72928	6.5
445.22336	27.5
573.22168	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	573.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07099	1.5
59.01383	15.0
65.00310	1.7
71.01401	3.3
71.41895	2.1
72.04813	1.7
75.59647	1.5
78.95909	2.1
85.02957	1.8
87.50262	1.6
89.02461	2.2
95.68965	1.7
96.96026	2.3
101.02446	3.2
136.98785	2.0
205.34854	1.9
232.77841	1.7
235.08165	2.3
253.09311	13.6
277.21753	100.0
278.22202	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	573.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45190	0.8
54.59357	0.7
70.64420	1.2
76.37651	0.7
77.37627	0.7
79.95748	14.2
80.96540	1.5
85.05412	0.8
93.60720	0.9
94.98090	1.2
95.95226	3.4
96.62122	0.7
96.96021	92.7
97.35065	0.7
122.97607	5.2
144.01537	0.8
147.61998	0.7
158.77309	0.8
167.00157	1.9
269.89758	0.8
369.94373	0.9
482.83163	0.8
535.89825	0.8
573.33179	100.0
574.33356	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	574.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.7
61.98829	2.4
65.74223	1.8
65.99854	21.1
67.42609	1.6
68.18190	1.7
69.87636	5.8
75.00876	2.2
88.01948	3.1
96.96018	2.0
108.05300	1.7
112.38437	2.1
119.05133	2.2
122.02496	2.8
138.01927	1.9
158.57976	2.1
158.63606	1.9
163.00337	1.8
165.04349	2.0
165.05597	9.1
171.04536	3.1
172.00398	5.0
173.06175	2.1
174.01956	2.9
175.99924	24.3
192.03084	2.9
199.99911	6.3
218.00964	9.4
227.99425	17.2
238.05148	3.1
242.08264	3.8
246.00394	10.6
261.99884	4.3
268.06100	2.9
270.07733	6.2
271.98480	3.7
280.06189	53.2
281.07092	2.3
294.07877	2.8
296.05899	2.8
296.09253	4.3
298.19495	1.8
304.06131	7.6
320.09134	2.1
322.07159	6.6
324.08905	2.5
332.05704	15.1
340.08536	1.9
350.06769	21.9
360.08649	2.5
364.08282	4.5
366.06232	6.4
376.04633	100.0
377.04929	5.8
394.05502	2.2
404.07928	3.2
408.07236	10.2
432.07291	11.3
432.12674	2.6
455.74097	2.0
542.11108	12.2
574.16449	2.1
574.25806	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	574.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95491	0.6
59.01384	69.1
69.03793	4.0
69.04205	1.9
82.03004	2.1
98.21793	1.3
106.03008	1.8
107.48242	0.8
120.00919	0.8
120.04600	0.8
124.04060	3.5
130.02998	1.7
136.04057	1.7
145.45476	0.7
146.02492	2.6
146.74931	0.7
150.01962	2.7
162.02042	1.9
162.72691	0.9
164.03535	8.1
165.05602	8.3
171.04514	2.2
172.66420	0.7
174.01962	3.5
187.02760	0.9
188.67911	0.8
192.03050	3.5
200.03523	1.2
205.03885	1.3
207.06645	2.6
218.04623	4.0
222.05640	1.2
223.06425	2.2
226.06496	1.1
226.08739	2.4
236.07173	2.3
240.06682	0.9
252.10225	1.1
254.05891	1.1
254.08293	2.8
256.15366	0.8
267.05228	1.0
268.09839	11.2
278.08246	11.8
296.09302	100.0
297.09558	4.1
322.07144	7.2
338.10403	2.3
340.08185	3.6
364.08365	8.3
409.55811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.93291	3.4
71.42793	3.5
73.55463	3.9
78.95910	8.1
85.19115	3.1
86.46574	3.0
89.86935	3.3
89.90092	2.8
96.96013	21.6
121.02977	78.2
179.89552	3.2
191.03609	5.2
220.37520	3.3
265.14752	3.5
279.23233	7.6
284.03571	4.1
288.48346	3.6
476.28085	6.7
588.01904	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	574.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53729	0.2
59.01383	1.6
61.98835	100.0
63.00915	0.2
69.08434	0.7
69.08861	0.8
71.01396	1.1
73.02957	0.5
85.02966	0.6
86.14860	0.2
101.02466	0.8
108.04626	0.3
113.02433	0.3
117.03488	0.2
119.05000	0.2
123.10952	0.2
134.64102	0.2
135.04541	0.3
196.02585	0.4
261.22455	0.4
349.20255	0.6
360.77930	0.2
399.10550	0.2
402.33017	0.2
406.13022	0.2
467.26553	1.1
511.25629	4.4
531.28040	0.2
542.21088	0.4
574.22522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32796	45.0
56.93748	40.0
58.30865	39.0
59.01389	45.7
60.34624	41.5
63.27654	40.0
70.08337	84.8
70.08702	100.0
73.33315	42.2
191.56729	49.8
278.82220	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24902	27.9
61.98827	55.2
66.34666	31.7
78.95896	53.9
87.27252	29.4
96.96043	100.0
105.68949	31.2
196.96309	32.0
210.98250	32.4
219.21010	34.5
265.15045	36.0
297.15433	39.1
413.17685	39.2
485.23776	35.9
512.96112	42.5
598.95160	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72421	0.2
59.01376	0.6
61.46591	0.2
61.98831	0.3
71.01386	0.6
75.00893	0.3
78.95899	0.7
79.95746	3.0
84.30177	0.2
85.02965	0.7
88.98807	0.7
95.01378	0.3
95.70041	0.2
96.16109	0.2
96.96019	100.0
97.95956	0.5
98.95600	2.0
98.96191	0.2
98.96453	0.3
99.00923	0.4
99.92588	0.4
100.93388	0.7
101.79449	0.2
111.00858	0.8
113.02470	1.0
115.92097	0.6
116.92878	0.8
123.00937	0.3
124.37392	0.2
132.12120	0.2
139.00394	0.7
154.19925	0.2
154.89557	0.2
166.99954	0.3
177.01949	0.2
179.05807	0.2
183.04797	0.2
191.68373	0.2
200.72409	0.2
285.03827	0.3
301.03561	9.9
301.54498	0.2
302.03912	0.4
310.98676	0.3
356.99353	2.1
364.99384	0.3
366.00043	0.4
399.00525	0.7
411.00507	0.8
477.06674	1.4
515.01837	0.4
515.12286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20049	0.3
54.97300	0.3
56.26992	0.3
59.01386	0.9
66.29955	0.4
79.95744	3.5
85.02947	0.8
89.81690	0.3
96.96021	100.0
110.00141	0.5
113.02473	1.2
114.93451	0.8
119.05027	0.7
165.99075	0.6
175.02432	0.5
181.01480	0.7
208.00645	0.4
286.04840	1.1
295.94952	0.4
301.07175	1.8
342.00620	0.6
477.10291	0.5
515.05707	0.5
575.06970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38150	6.0
50.97662	5.3
52.66619	5.5
59.01373	11.4
63.02392	7.3
65.00328	94.7
67.01878	7.3
68.99841	9.0
69.05580	14.1
69.05984	29.3
73.21540	5.2
81.03442	6.4
83.01395	44.0
88.98830	9.6
89.00309	7.7
92.99802	8.6
93.03482	7.5
95.01390	21.2
96.96072	13.2
96.99297	10.9
98.22644	9.7
99.00884	11.8
100.81014	5.1
105.44544	5.8
105.50209	5.7
107.01403	20.0
109.02994	8.0
110.00026	9.2
111.00896	51.3
117.03509	10.8
119.01351	8.1
119.05014	19.9
120.99332	8.8
123.00903	7.6
124.00403	12.7
124.01679	13.7
124.98827	11.6
125.02424	8.2
125.99615	7.8
126.02023	7.7
127.00402	14.6
131.05064	11.5
134.00046	5.7
135.00877	13.7
136.98813	35.3
137.02425	11.9
137.99635	9.8
139.00345	10.9
140.98291	8.0
141.01917	9.9
141.07143	7.4
143.05006	13.3
145.02820	6.1
147.04562	33.7
147.89780	5.3
148.98828	28.8
149.02443	5.2
149.99609	50.1
150.89095	6.7
151.00354	26.8
151.56311	5.3
152.01144	8.5
152.98172	6.5
153.01909	8.8
157.06621	6.7
161.06056	7.5
163.00354	17.1
164.01019	7.2
164.98300	23.0
165.01953	51.9
167.05017	10.6
169.06567	14.9
171.04501	14.8
173.06075	14.7
176.62257	6.5
176.98315	9.2
178.99864	35.7
181.06625	10.0
185.06123	13.1
189.05595	100.0
190.99948	9.2
192.00612	15.6
193.01527	28.8
193.98547	11.0
197.06085	10.5
201.05577	16.5
207.02959	8.7
209.00951	12.5
209.06062	13.2
211.04140	9.4
213.05649	30.9
218.99364	8.8
221.98102	14.5
225.05589	28.4
229.04950	12.6
231.06429	6.2
232.91803	6.0
237.00514	17.6
237.05579	15.8
239.03505	11.1
241.05040	25.7
243.06610	18.0
251.01926	20.9
253.05119	17.0
255.06578	8.9
257.04544	37.8
267.03027	16.6
267.06503	11.7
269.04471	34.0
271.06061	23.9
279.06317	9.3
281.04556	92.7
285.03973	8.4
295.05991	13.4
296.06866	7.0
297.00693	9.0
299.05533	18.8
313.07190	14.0
325.03510	99.5
327.05115	23.8
339.01682	7.4
339.05212	12.6
351.04965	6.5
352.08301	7.1
353.02856	38.2
357.06189	24.1
367.01233	14.3
385.05661	9.2
394.03000	8.8
395.04340	6.7
401.10217	9.8
419.11478	12.1
427.03543	9.3
445.09268	25.1
489.21390	6.6
503.13913	9.2
531.22626	12.2
575.11987	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	575.12
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95607	1.9
61.82156	2.0
65.00331	7.8
68.99844	2.2
69.10806	12.6
71.01397	2.5
95.01392	3.4
96.96021	3.2
108.02184	4.1
110.00102	18.3
111.00922	4.6
112.98772	2.3
123.00867	4.3
124.01668	14.0
136.01668	7.6
136.98799	5.2
137.99579	3.9
139.00392	8.7
152.01146	9.4
157.06615	3.2
158.62369	1.7
164.01169	7.1
164.98265	4.0
165.99089	13.4
166.99902	2.6
171.04559	2.1
173.06133	3.5
178.99863	4.0
185.06073	2.5
192.00699	9.7
206.99347	2.9
220.00133	3.7
225.05612	4.7
227.07121	2.8
233.01036	2.4
242.08147	1.9
243.06628	37.9
252.06700	2.3
253.05162	6.4
255.06619	3.3
269.04501	7.2
270.05304	29.2
270.07816	8.7
271.06122	100.0
272.06699	3.0
280.06113	4.9
294.07727	12.2
296.06860	7.2
307.06241	2.7
323.05695	4.5
325.07193	49.1
353.30756	2.0
383.07797	11.1
455.11337	12.6
487.13965	17.1
552.37732	2.1
575.14709	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	575.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03465	3.8
58.00620	0.6
59.01385	77.1
61.11512	0.7
61.98826	0.7
65.00327	3.1
69.37817	3.3
71.01388	35.5
72.99327	2.8
73.02959	6.0
75.00884	5.2
82.00642	1.2
83.01389	3.2
84.02174	0.7
85.02959	28.8
87.00866	5.2
87.35769	0.7
89.02454	21.0
95.00839	0.8
95.01406	9.7
96.96033	1.1
99.00891	9.8
99.92612	1.5
101.02452	13.5
103.00400	2.7
110.00127	4.2
113.02464	58.3
115.00359	1.9
115.92108	1.2
116.92149	1.1
116.92881	6.5
117.01940	2.4
117.03491	3.1
117.92865	3.2
118.92690	2.9
119.03520	9.5
119.04988	3.4
125.02368	0.8
129.01994	1.7
131.03494	1.3
135.04556	10.5
135.24277	0.8
136.98849	3.9
139.00403	1.4
141.29787	0.7
143.03467	1.9
149.04556	1.0
153.02043	1.5
157.01463	0.8
159.04512	1.1
161.02460	1.8
161.04597	4.7
163.00348	1.4
163.07780	0.8
164.98276	1.7
165.99095	4.7
166.99899	1.6
175.02510	10.6
175.03975	1.6
179.05669	5.5
193.05307	0.8
200.04782	1.8
205.04890	0.7
211.04004	2.3
217.05003	0.7
227.03488	3.2
234.14627	0.7
239.03540	2.6
247.27428	0.7
255.03000	8.2
256.03641	0.9
257.04657	0.9
263.05600	0.9
267.03134	0.9
277.07300	0.8
283.02490	11.6
284.03293	100.0
285.03995	11.2
301.03665	2.2
302.04367	1.9
335.05518	1.8
381.09808	13.1
399.10861	54.8
400.11151	1.6
413.02002	1.3
414.96075	0.9
422.29129	0.8
446.75653	0.8
452.85458	0.7
455.09860	5.5
464.01447	0.9
515.24603	4.3
518.16046	1.9
533.25964	4.3
557.13055	1.0
575.13495	6.6
575.29694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.148
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20542	0.7
64.01939	1.1
65.00327	3.5
65.99849	5.9
68.99819	1.9
69.27025	3.9
71.48563	0.7
78.14857	0.7
83.01408	0.8
94.02979	0.7
96.96001	1.5
107.01386	2.5
108.00916	0.9
110.00111	2.0
110.02531	1.3
110.03287	0.8
111.00864	1.2
124.01643	1.9
132.00980	1.0
134.02519	4.5
136.00391	3.4
136.01581	1.3
136.98878	1.5
146.02484	7.5
147.03291	1.9
150.02002	0.8
151.00371	3.0
152.01187	1.6
158.02507	2.1
160.02769	0.9
162.01994	6.6
163.02742	1.3
163.99901	2.6
164.01178	1.5
164.03564	2.3
164.98262	1.6
165.99077	0.9
169.06606	1.2
171.04510	3.5
175.02739	2.9
175.99922	6.8
182.40385	0.7
187.99916	1.3
190.01477	9.3
192.00754	1.0
202.01468	4.3
203.02309	2.1
208.02519	1.9
208.07697	1.8
211.07649	1.5
213.05685	1.3
215.02382	1.1
221.13414	0.8
222.09178	0.9
224.07173	1.7
225.05667	1.6
226.39977	0.8
238.05083	3.2
240.06621	0.7
243.06610	4.4
250.08708	1.5
251.07108	2.6
252.06664	14.6
253.05014	1.9
255.06612	10.6
264.06628	3.8
266.08212	2.7
268.06281	5.2
268.87958	0.7
269.04547	5.1
270.05261	4.4
270.07742	1.1
271.03406	0.9
271.06070	12.8
276.06653	1.2
280.06149	23.7
292.06259	3.6
293.06995	1.4
294.07736	100.0
295.08057	3.2
296.06943	1.5
301.01736	1.3
302.02130	1.1
303.01755	2.4
306.07751	9.2
319.07272	3.1
320.07996	3.2
321.09012	1.1
325.07181	5.3
475.39566	0.8
575.14636	86.4
576.14612	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	575.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31004	0.3
51.81295	0.3
59.01382	0.7
61.10041	0.3
61.98835	100.0
78.03485	0.4
87.04518	0.4
89.75359	0.3
106.44038	0.3
115.04039	0.7
117.03510	0.7
119.05060	0.8
122.02495	25.9
123.02829	1.6
124.02975	0.6
145.02977	0.3
219.86807	0.3
238.93796	0.3
251.08739	0.4
283.02704	0.3
461.21896	0.7
515.21014	0.3
544.21564	0.4
575.22986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80238	7.6
58.82820	7.9
59.01381	63.6
60.01704	12.2
60.08872	7.2
61.01807	11.2
61.98835	100.0
65.00325	32.9
65.99878	7.4
66.26215	7.4
68.99818	10.7
69.90155	7.2
69.92593	6.7
72.22100	6.7
75.50196	7.0
80.91693	7.7
81.03460	21.3
83.01417	7.2
95.01393	24.2
96.96044	12.5
97.02947	12.6
107.01398	13.9
108.02181	17.4
111.00858	16.2
120.02152	11.9
123.00900	13.3
124.01661	9.6
125.02505	9.6
131.01434	9.9
135.00931	11.0
136.00513	6.7
136.01656	31.9
136.98810	15.3
137.02441	9.0
147.00935	8.9
149.99608	35.6
151.00421	13.8
163.00427	14.2
164.01114	43.8
164.98276	8.7
165.01930	45.5
167.05078	9.7
169.06514	11.6
171.04469	11.2
175.00357	9.8
178.99916	7.7
187.07622	10.6
189.05597	22.4
191.03508	17.2
192.00664	65.6
207.08043	10.7
213.05585	14.8
221.98041	8.6
223.07690	10.2
236.84949	7.6
237.00362	16.2
239.03484	9.1
241.05130	9.8
243.06688	11.0
253.05054	16.6
267.02945	30.8
267.06500	7.5
268.07526	11.2
269.04535	22.0
270.07681	17.6
271.06210	16.1
279.06546	9.6
280.06082	8.6
281.04745	17.9
295.06036	15.6
296.06934	82.8
307.06082	9.7
313.07065	15.7
315.05118	9.2
323.07394	26.8
325.03680	13.1
325.07388	8.6
341.06622	18.2
350.06744	11.0
353.03070	18.1
395.05847	11.3
399.07336	14.8
488.83359	8.0
503.13751	74.7
504.13879	8.3
551.02234	7.2
576.63361	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	575.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.64206	1.0
69.64577	1.8
95.62070	0.5
96.48727	0.4
98.22607	0.9
115.03937	0.5
121.60288	0.5
121.75064	0.5
122.02503	9.6
123.02832	3.6
124.02962	1.1
179.51831	0.5
221.37184	0.5
269.40662	0.5
378.25974	0.5
416.10663	0.6
554.57623	0.6
558.23346	0.5
579.66510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89247	0.1
54.99322	0.1
59.01386	0.2
61.98826	0.3
70.67075	0.2
70.67410	0.1
71.86671	0.1
78.03493	3.1
86.24179	0.1
86.68082	0.1
122.02496	100.0
123.02845	1.1
153.44725	0.1
202.05064	0.8
348.29767	0.1
405.56857	0.1
470.18445	0.1
546.14795	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	575.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.0
57.03444	7.6
59.01382	94.4
65.48042	2.1
69.03433	3.5
71.01386	68.2
73.02956	30.9
77.72528	2.4
83.01389	17.4
83.23194	2.1
85.02959	34.1
86.36114	2.3
87.00871	7.1
87.96550	2.6
89.02448	24.1
90.96449	2.3
95.01419	5.9
97.02950	10.9
99.00880	8.9
101.02455	67.5
102.18699	2.3
111.00882	4.2
113.02458	42.0
115.03977	2.3
117.02589	2.9
119.03543	5.6
120.99622	6.9
125.02462	11.6
131.03499	4.1
143.03525	15.8
159.02991	3.9
161.04582	25.8
179.05661	3.3
209.15462	9.9
221.06801	2.4
229.67957	3.0
245.06624	3.2
305.17587	5.5
335.32611	2.5
356.97012	8.3
371.20779	55.4
398.99100	2.8
413.21625	7.2
416.99023	2.6
437.21509	2.7
514.99292	6.1
515.25055	23.0
526.60760	3.0
533.26068	100.0
534.26306	3.3
575.27295	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95206	0.9
55.01875	4.2
57.03448	5.9
59.01384	100.0
62.65497	0.9
65.75720	0.9
69.03472	1.4
71.01389	46.8
73.02952	18.9
81.96413	1.0
83.01392	10.8
85.02955	25.3
87.00895	2.7
89.02440	15.5
95.01405	4.8
96.96021	2.2
97.02951	3.1
99.00890	5.9
99.75735	1.0
101.02451	42.6
111.00909	1.3
112.01709	1.4
113.02460	27.2
119.03506	5.6
125.02474	6.0
131.03481	1.5
143.03578	5.3
143.04483	1.1
153.01939	1.1
159.03029	3.2
161.04567	17.5
165.12869	1.1
179.05553	1.7
188.08455	1.4
209.15515	8.4
221.06656	2.7
221.11835	19.3
305.17563	3.7
340.29968	1.3
353.19595	6.9
371.20749	27.0
413.21866	9.7
428.56287	1.0
431.23483	1.0
446.56619	1.1
455.09937	1.2
515.25061	3.6
533.26050	56.9
534.26318	3.0
575.27094	27.9
576.27734	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	575.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66978	3.4
53.77578	3.3
59.01118	5.8
59.01384	56.7
61.98838	42.2
69.16982	24.0
71.01379	17.4
73.02953	33.9
81.14204	3.7
82.95422	5.0
83.01411	4.8
85.02983	4.4
87.00872	4.0
89.02443	5.6
96.96007	3.8
101.02477	18.5
101.95238	4.3
111.00889	7.7
113.02464	7.7
117.03477	4.8
119.05045	19.0
135.04552	6.7
145.02969	6.0
160.84227	6.5
161.06070	3.9
163.04027	7.7
171.10181	4.5
205.05031	8.5
265.07230	10.0
267.93289	3.6
285.49606	3.8
291.19693	11.0
309.20773	7.2
463.94812	4.4
489.26895	8.4
531.28174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.1
57.03453	5.1
57.76568	4.6
59.01390	100.0
61.98833	23.7
71.01386	28.0
71.40336	5.4
73.02962	30.7
83.01406	7.0
84.95119	6.9
85.02979	16.9
99.00863	5.7
101.02453	20.0
113.02480	12.4
116.92837	6.8
117.03500	8.4
117.47055	4.9
119.05032	26.1
122.02478	5.7
132.70041	4.9
135.04527	14.4
139.00398	5.3
166.99803	5.9
180.23431	4.7
183.01378	6.5
197.02737	22.8
197.11829	18.8
241.77165	5.2
283.02301	5.6
286.56268	5.4
291.19675	4.9
302.04254	5.1
309.15512	25.0
309.20676	19.0
336.44553	5.1
381.09940	7.0
399.10733	14.0
487.29846	5.3
489.21417	12.1
489.27249	12.1
531.22314	20.4
531.28918	91.0
592.13232	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	575.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.9
60.30261	1.6
71.01406	1.8
97.30650	1.6
97.68376	1.5
98.21912	4.5
101.02432	1.8
136.55608	1.6
163.77798	1.7
217.88120	1.7
253.09267	14.4
265.86630	1.8
279.23318	100.0
280.23502	3.4
350.14871	1.9
521.73865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25808	1.3
59.01389	15.1
71.01393	2.3
71.41957	1.7
89.02471	2.5
94.96716	1.2
96.96021	3.6
101.02470	2.1
113.02393	1.5
140.10875	1.2
142.63988	1.2
196.63321	1.4
253.09283	14.3
279.23318	100.0
280.23691	3.1
280.51642	1.4
300.57367	1.2
339.13126	1.3
368.82922	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16072	1.8
61.98817	3.1
70.84402	2.6
75.00880	97.1
78.95909	63.5
79.47591	1.8
82.71816	1.6
96.96028	5.1
96.96951	3.1
98.95608	4.9
99.92602	10.7
103.00388	100.0
114.83647	1.7
114.94946	6.2
115.92056	5.6
116.92890	6.2
136.00412	1.9
140.01189	1.9
141.96024	7.7
142.02951	1.9
150.97992	2.7
152.00545	2.1
152.99608	40.0
163.89735	3.3
163.99931	2.1
171.00723	2.8
171.04465	2.0
178.88431	3.6
179.89233	13.5
180.89931	4.7
181.90767	3.5
186.01932	4.2
190.98643	2.5
196.03809	2.7
196.89529	16.6
205.90622	2.7
205.93175	3.9
218.00963	2.4
223.94086	2.4
235.91785	3.6
236.92557	2.2
268.06186	4.3
270.07663	2.9
277.95291	4.1
279.23297	23.2
280.06131	2.7
290.08185	5.8
295.04886	3.3
296.05597	2.5
366.09860	11.2
410.08835	6.9
438.08286	5.8
472.13928	5.0
499.15417	2.9
516.15002	5.6
526.27966	2.1
540.18158	5.1
544.12451	4.8
558.19025	4.0
572.17035	2.2
576.13074	2.8
576.20465	22.8
576.64734	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	576.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.2
65.00327	28.3
66.68574	5.9
68.99822	8.3
69.03459	25.2
71.01390	8.3
81.03478	21.5
83.01396	16.6
84.95121	15.1
93.03468	12.2
95.01405	13.1
95.09758	6.2
96.99345	15.3
98.02505	11.9
99.00884	15.0
99.03309	8.9
101.13049	5.9
109.02960	18.6
110.00109	9.0
110.02496	12.2
111.00879	21.6
113.02480	12.1
124.00430	44.5
124.01682	14.0
124.32886	7.2
125.02404	10.7
126.01986	69.0
134.02469	8.9
136.04057	42.0
136.98814	18.0
137.02425	12.0
138.01996	24.5
139.00372	11.3
145.06602	12.3
150.02002	7.7
152.01129	15.0
152.03569	12.0
153.01907	6.7
157.01453	18.2
157.06659	6.4
160.04008	9.6
161.02371	11.0
162.02013	20.0
164.98303	24.4
165.05591	13.7
165.98973	6.2
170.00993	7.3
171.04529	21.4
173.06075	23.3
176.03566	12.8
180.03001	47.3
194.04637	7.5
195.08302	7.9
201.05630	38.3
204.02992	7.5
214.80331	6.0
220.02568	9.1
220.06131	10.6
224.02034	11.8
225.05675	13.8
233.93253	6.1
239.07164	14.3
241.05182	28.8
241.08685	8.2
242.05736	6.0
243.06606	83.9
250.62434	6.9
264.08615	29.2
266.08237	11.2
267.06570	20.6
268.06213	22.8
269.04675	33.2
269.07092	10.5
270.05106	7.0
271.06137	100.0
280.09811	18.8
281.08081	13.1
295.06073	7.5
304.08136	6.2
307.06000	14.6
308.09219	41.0
311.05566	24.3
318.01297	8.1
324.08862	11.9
327.12790	13.1
329.06677	18.2
334.07208	19.0
349.06818	8.0
351.07431	10.6
352.08386	53.9
367.08002	9.3
391.90329	8.6
396.07211	22.9
484.25412	7.8
532.16547	9.7
576.14520	9.1
577.15662	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	576.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16072	1.8
61.98817	3.1
70.84402	2.6
75.00880	97.1
78.95909	63.5
79.47591	1.8
82.71816	1.6
96.96028	5.1
96.96951	3.1
98.95608	4.9
99.92602	10.7
103.00388	100.0
114.83647	1.7
114.94946	6.2
115.92056	5.6
116.92890	6.2
136.00412	1.9
140.01189	1.9
141.96024	7.7
142.02951	1.9
150.97992	2.7
152.00545	2.1
152.99608	40.0
163.89735	3.3
163.99931	2.1
171.00723	2.8
171.04465	2.0
178.88431	3.6
179.89233	13.5
180.89931	4.7
181.90767	3.5
186.01932	4.2
190.98643	2.5
196.03809	2.7
196.89529	16.6
205.90622	2.7
205.93175	3.9
218.00963	2.4
223.94086	2.4
235.91785	3.6
236.92557	2.2
268.06186	4.3
270.07663	2.9
277.95291	4.1
279.23297	23.2
280.06131	2.7
290.08185	5.8
295.04886	3.3
296.05597	2.5
366.09860	11.2
410.08835	6.9
438.08286	5.8
472.13928	5.0
499.15417	2.9
516.15002	5.6
526.27966	2.1
540.18158	5.1
544.12451	4.8
558.19025	4.0
572.17035	2.2
576.13074	2.8
576.20465	22.8
576.64734	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	576.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10118	60.1
112.88716	61.9
119.05026	100.0
136.42422	66.0
144.78015	57.1
147.73579	54.4
203.90411	55.6
291.14941	62.4
470.71243	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.8
61.98836	100.0
71.01405	0.5
73.02959	0.2
75.95315	0.2
78.95910	0.4
85.02953	0.3
88.98848	0.3
89.02474	0.3
101.02435	0.2
116.10524	0.2
116.95302	0.2
117.03511	0.3
119.05027	0.2
135.04646	0.2
159.02972	0.2
161.04556	0.2
167.01753	0.4
170.37038	0.2
219.03215	0.2
219.08607	0.2
265.82843	0.2
284.03268	0.3
303.03467	0.6
361.43912	0.2
376.20786	0.4
381.10095	0.2
382.10355	0.7
399.10938	0.3
400.11441	0.9
424.41971	0.2
445.08060	0.2
513.27405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.31397	0.5
70.05058	1.4
75.00861	0.5
78.95934	0.6
90.48375	0.5
90.65479	0.5
134.86079	0.5
138.97978	0.5
166.39006	0.5
275.10724	0.5
403.86591	0.5
501.12589	0.5
573.66602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.25972	1.0
69.26362	2.9
78.95893	0.9
80.42206	0.5
94.94585	0.5
220.68571	0.5
220.88235	0.6
280.06134	0.8
487.12631	0.6
577.16199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.0
59.13520	0.9
61.98829	2.4
71.43125	1.2
78.95908	7.2
120.06741	1.0
123.52859	1.2
145.46811	1.0
152.99635	1.3
154.80998	0.9
168.04369	1.6
175.12354	0.9
176.82626	0.9
178.70566	1.1
242.08052	2.0
277.21756	100.0
278.21988	3.7
299.53415	1.2
315.62558	1.1
348.11743	1.0
368.39807	1.2
429.29602	1.1
450.55914	1.1
502.29501	28.5
503.29849	2.2
543.42609	1.1
543.79883	1.1
576.23755	1.9
576.63763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.2
69.23686	4.9
75.00870	0.9
78.95441	1.3
78.95911	22.9
84.39545	0.8
96.96021	1.8
102.66160	0.8
103.00395	0.9
128.15707	0.9
152.99614	2.9
168.04387	3.9
224.06946	10.2
233.23045	0.8
242.08131	3.5
268.06158	1.2
269.04459	1.1
270.07764	3.4
277.21738	100.0
278.22101	3.4
296.05557	1.2
296.09100	1.2
313.49249	0.9
324.08453	1.2
428.10037	1.3
502.29440	72.6
503.29810	2.7
576.13391	0.9
577.15814	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	577.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24010	1.5
70.05700	0.3
79.95746	2.8
96.96018	100.0
98.21893	0.5
106.15681	0.3
141.01953	0.8
151.01259	0.2
158.33401	0.3
313.00238	0.3
340.99939	0.6
359.00961	0.6
379.13806	0.3
441.02829	0.3
479.08054	0.6
517.03217	1.7
567.34363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77028	1.2
69.93967	2.8
70.33801	1.3
71.01389	2.3
72.48473	1.1
76.02338	1.1
90.49998	1.2
98.21882	1.2
119.05025	5.2
119.61243	1.2
121.02995	1.9
135.04581	2.4
139.44301	1.3
145.02966	5.0
148.01726	1.3
149.02431	1.6
161.02458	2.7
163.04010	4.1
175.03952	2.7
177.01979	1.6
181.06595	2.1
189.01894	2.5
191.03458	6.3
203.03456	3.1
208.08954	3.2
221.04515	1.7
222.56927	1.3
227.07030	1.2
235.07715	1.4
237.09261	2.7
249.69044	1.3
251.07043	2.8
252.07967	3.0
265.04935	1.3
266.05798	1.5
267.06616	7.0
279.06598	9.4
280.07410	11.6
281.08218	49.9
282.08484	1.6
291.06595	4.7
293.08325	6.2
295.06134	6.0
305.08035	1.2
307.06137	5.5
308.06958	5.7
309.07727	24.2
312.06378	3.9
319.06104	2.8
321.07690	5.2
335.05426	2.0
337.07202	100.0
338.07556	3.3
339.08652	3.2
340.05969	1.8
349.07233	11.9
351.08362	1.8
358.23148	1.3
365.06665	1.6
367.08218	51.6
368.08459	2.1
379.08170	8.8
397.09280	3.5
402.58252	1.3
457.11395	19.4
487.12265	6.9
489.46692	1.5
577.15674	98.8
578.16010	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	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41985	0.5
57.03440	0.9
59.01378	2.3
69.53165	1.1
69.53551	1.2
71.01384	1.6
72.99314	24.7
73.02969	1.0
80.91694	0.6
83.01415	0.6
85.02943	0.8
93.03465	51.0
94.03819	0.8
99.00896	1.1
101.02441	0.9
112.01751	0.5
113.02462	3.8
117.03456	2.3
118.04240	1.1
119.05037	100.0
120.05352	1.6
121.02957	0.7
129.14256	0.5
133.02913	0.7
134.75400	0.5
137.02457	56.5
138.02759	1.1
145.02953	3.6
161.02547	0.6
162.03264	1.5
163.04027	73.2
164.04398	1.5
216.63042	0.5
219.06494	0.6
253.09746	0.6
277.07153	3.2
307.08353	1.2
325.09064	1.2
329.92471	0.5
333.74155	0.5
439.12469	20.5
440.12750	0.8
457.13519	22.1
458.14008	1.1
508.92902	0.5
577.15668	27.3
578.16071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00316	1.7
65.99860	2.1
69.52927	3.4
81.03471	2.5
95.05045	0.8
98.22585	1.3
107.05061	1.3
108.02203	2.2
108.04572	2.0
109.02992	1.6
110.02488	1.5
121.02974	2.7
123.04538	75.4
132.77010	0.9
134.02501	1.3
135.03233	1.3
136.00388	2.3
136.98766	1.0
138.01985	1.0
148.04108	0.9
149.02458	4.5
150.05630	2.0
151.02838	1.7
151.04001	8.0
152.03590	1.4
155.96132	0.9
163.99931	1.9
165.00658	1.9
166.05058	1.9
166.66541	0.8
171.04552	1.3
175.99890	0.9
176.03543	4.9
177.01959	4.3
190.01399	0.8
194.04590	16.0
219.04161	0.8
221.09738	1.3
225.05710	1.2
239.03601	0.9
241.05312	1.1
242.08244	5.5
264.10321	3.7
267.06668	1.0
268.06235	2.5
269.04446	1.4
270.07700	10.7
278.04556	1.4
280.06235	1.4
281.08359	1.3
291.06250	1.1
292.09830	1.0
294.07669	1.0
295.06226	1.5
306.07840	2.3
307.08496	1.1
308.09244	1.6
318.07751	1.2
320.05701	1.2
321.06036	1.2
335.05396	1.0
335.10361	3.3
337.07202	2.0
367.08264	2.0
382.10864	2.5
383.11420	1.6
398.13928	2.1
401.10825	0.8
402.09738	2.3
456.07065	1.0
471.12842	0.9
473.10052	4.2
483.11581	1.1
486.10907	1.8
489.15143	3.4
506.16431	1.1
516.14557	3.2
560.13586	1.8
577.16199	100.0
578.16602	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	577.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60222	2.1
52.59387	2.3
57.11748	2.1
59.01384	100.0
60.15604	2.2
61.98830	9.5
69.49818	11.0
71.01387	6.4
73.02955	2.8
83.71960	1.9
85.02938	2.5
92.59184	1.9
93.03438	3.6
95.01472	2.2
96.96010	5.3
99.92596	4.8
100.93406	2.9
108.02167	3.5
110.00091	7.6
113.02496	3.6
115.92095	5.5
116.92881	12.4
119.05018	9.4
135.04536	2.7
135.98352	4.9
136.01688	11.1
136.98814	3.8
137.02486	7.1
137.99582	2.5
138.03265	3.0
149.02417	3.8
151.04025	16.7
152.01180	9.6
153.02000	3.6
161.02419	2.4
164.98282	2.5
165.99075	8.0
166.99835	3.7
167.03560	3.2
176.01147	4.2
179.00023	3.2
179.03531	2.4
191.03474	6.2
202.66179	2.5
212.21152	2.1
213.01103	2.2
223.06064	5.5
234.07224	2.4
251.07251	2.2
267.06656	7.8
279.06680	17.3
285.04141	8.3
286.04767	19.3
291.06622	14.2
292.07391	3.7
294.08948	4.8
295.06131	20.4
302.46646	2.6
306.08960	10.5
307.06174	38.8
307.09616	4.5
308.06332	2.5
310.08499	20.3
322.08411	19.4
325.10840	62.5
337.10822	86.7
337.14850	5.2
338.11090	3.9
340.09695	2.4
355.11832	2.9
357.09756	4.4
358.10458	8.3
358.98688	2.6
372.11792	2.5
373.12970	44.2
383.11456	10.8
401.12421	10.7
428.05975	2.5
436.97913	3.0
472.47525	2.8
577.18994	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	577.193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09857	0.7
59.01385	100.0
61.98845	5.4
71.01392	2.9
73.02937	0.9
83.01406	0.8
85.02977	1.6
96.96040	2.2
101.02473	1.8
110.00102	2.6
110.94115	1.6
113.02472	1.6
116.92880	3.3
119.05037	1.9
126.03813	0.9
128.03642	0.8
128.89819	0.9
135.04550	1.3
137.02542	1.4
139.00372	1.4
149.02477	1.6
151.04016	1.8
152.90140	0.9
157.48531	0.9
159.04550	1.1
160.05331	1.6
162.03281	1.0
164.98257	0.9
165.99088	2.5
166.99854	1.2
172.64076	0.9
177.05574	1.5
185.94444	0.9
187.04063	0.9
188.04811	1.1
188.06927	0.8
202.06427	1.0
204.92268	2.1
213.43596	0.8
225.15155	0.9
235.07724	1.5
237.05693	2.0
241.01750	0.8
249.05556	1.6
251.03552	1.2
251.07190	1.9
252.01808	0.8
261.05444	1.0
263.07214	2.1
263.12909	1.1
266.09427	1.4
267.06604	6.8
279.06631	16.3
286.04959	5.7
290.05573	1.0
291.06738	8.7
292.07413	3.4
293.08063	1.7
294.08954	4.3
295.06137	18.1
299.01959	1.6
305.08170	0.9
306.05865	1.4
306.09033	11.2
307.06165	31.8
307.09393	1.6
310.08481	20.5
311.09119	1.0
321.07602	1.9
322.08487	19.7
325.10822	62.8
326.10864	1.3
329.14020	1.0
337.10849	95.8
338.11136	3.7
341.19748	1.2
343.12271	0.9
355.11993	1.6
358.01950	0.9
383.11166	1.5
397.09369	1.2
401.12424	1.7
449.97360	0.9
483.13562	1.0
517.30359	0.9
577.15979	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	577.1932
Annotation	Dracunculifoside O
Peak:m/z	Relative Intensity
51.12459	0.4
57.03463	0.6
59.01383	8.5
61.98832	0.4
69.12762	0.4
69.49432	1.8
71.01385	4.8
71.67839	0.4
72.89173	0.5
73.02949	2.6
75.00893	0.5
76.25255	0.4
76.41837	0.4
78.95906	0.4
85.02959	2.3
89.02452	3.8
89.03957	0.6
90.64106	0.4
90.92555	0.4
95.01379	0.8
99.00891	8.2
101.02467	1.7
106.04328	0.5
107.05045	1.9
113.02473	4.0
117.03467	1.4
117.77412	0.4
119.03568	0.6
119.05071	0.6
129.64105	0.5
132.02209	0.8
133.02975	16.1
134.03772	8.4
135.04543	100.0
136.04877	1.6
149.04608	1.0
155.64816	0.4
161.02466	46.8
162.02802	0.9
162.81061	0.5
164.04764	0.5
179.03517	73.5
180.03880	1.6
191.05580	0.8
287.81064	0.4
310.25299	0.4
335.05029	0.4
373.12796	0.5
415.16092	1.0
533.29669	0.7
541.19580	0.5
577.19293	44.7
578.19800	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	577.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60892	0.4
52.23850	0.5
55.01874	0.6
59.01378	3.4
69.15497	2.7
70.02551	0.5
71.01385	3.7
73.02958	1.4
85.02976	1.8
89.02466	0.7
89.03974	1.6
92.05115	0.5
99.00896	0.9
101.02460	3.5
106.04306	0.5
107.71271	0.4
113.02468	1.9
117.03474	5.1
119.05043	1.1
128.03560	3.9
132.02193	2.8
133.03008	0.5
134.03755	81.2
135.04453	1.9
136.04092	1.0
137.02422	0.6
149.06079	6.7
160.01663	8.2
161.02426	1.3
161.04607	1.0
168.86998	0.4
171.07797	2.4
175.04018	11.8
175.23405	0.5
176.48271	0.5
177.15135	0.5
178.02731	1.5
179.03537	1.3
193.05072	100.0
194.05426	2.4
207.65952	0.5
215.06725	0.6
269.04617	1.1
269.10355	0.6
361.14807	1.7
401.14407	1.4
577.18970	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	577.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89487	0.1
51.84062	0.1
59.01386	2.2
71.01387	0.8
72.99332	0.2
73.02571	0.1
73.02952	1.1
83.01381	0.2
85.02977	0.2
88.72369	0.1
89.02438	0.5
93.03467	35.4
94.03816	0.4
99.00896	1.6
101.02460	0.5
113.02436	0.5
121.02955	0.1
125.02434	0.2
134.03766	0.2
137.02458	100.0
138.02805	1.5
149.04541	0.3
155.97139	0.1
165.05592	0.2
165.64595	0.1
177.05560	0.1
191.05603	0.3
193.05101	0.2
204.04341	0.5
227.07047	0.1
243.02351	0.1
292.86292	0.1
296.10635	0.1
325.07474	0.1
329.13910	0.3
340.09381	0.2
346.32059	0.1
355.11896	0.4
372.12061	0.1
373.12958	8.8
374.13174	0.3
382.38766	0.1
397.14999	0.3
457.17386	0.2
577.19391	1.8
578.19745	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	577.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.5
59.01383	57.1
69.54655	6.7
69.55006	2.5
71.01025	3.1
71.01391	45.2
72.99315	3.1
73.02946	3.6
79.95731	2.9
82.95430	7.5
83.01389	3.5
85.02960	29.6
87.00908	9.1
89.02456	28.6
95.01406	11.3
96.96023	58.0
98.95612	6.7
99.00860	2.5
101.02444	16.3
103.04008	2.5
109.02193	1.8
111.00887	4.8
113.02462	63.0
114.75935	1.6
115.92102	1.8
116.92949	2.2
119.03521	7.2
119.05045	14.4
127.04033	3.9
131.03531	13.6
139.00465	2.7
143.03470	3.0
143.60609	1.7
145.06247	2.0
149.04602	3.3
161.02426	2.4
161.04597	6.8
167.03557	2.9
191.05675	5.7
209.04588	2.0
211.51915	1.6
286.04199	2.0
296.41663	1.6
299.11447	4.2
313.00470	2.0
340.99973	2.3
359.00742	3.7
403.53967	1.8
415.12436	2.4
445.17239	32.7
517.03223	6.0
577.21582	100.0
578.21838	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14740	0.5
59.01383	1.4
63.96246	1.6
67.08353	0.5
68.36179	0.5
69.03451	1.0
71.01382	8.2
73.02948	2.8
78.98598	8.7
79.95290	1.1
79.95747	11.8
80.96524	82.8
81.03472	0.8
85.02958	2.8
87.00876	2.7
92.78343	0.6
94.98094	20.4
96.95996	1.1
97.02960	2.4
99.00878	1.0
101.02467	3.8
106.98094	3.4
113.02437	0.7
122.97588	7.0
125.02430	3.6
127.04024	0.9
134.97598	5.0
136.71809	0.5
136.99142	1.4
148.99150	6.2
152.98656	8.6
164.98639	12.3
182.99686	3.1
206.99681	3.7
212.59012	0.5
225.00777	15.6
243.01733	2.0
245.66890	0.6
253.77531	0.6
277.21783	2.3
299.04437	3.1
300.27844	0.6
401.74380	0.6
423.80991	0.6
449.72510	0.6
577.26929	100.0
578.27496	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	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52348	0.6
57.03461	0.6
59.01387	1.6
61.98836	31.2
63.96225	0.7
64.56660	0.7
69.03445	0.9
69.67707	2.7
71.01386	5.9
73.02969	1.7
78.95895	1.8
78.98607	5.2
79.95745	10.3
80.96525	60.5
81.03446	1.3
84.41464	0.7
85.02953	2.9
87.00873	2.5
94.98094	13.5
96.42271	0.7
96.96020	2.8
97.02950	1.2
101.02444	2.2
106.98096	2.5
120.29751	0.6
122.97593	2.6
125.02448	2.8
127.04025	0.9
134.97629	4.4
136.99179	1.5
142.53029	0.6
148.99123	5.6
152.98642	4.2
164.98636	10.5
171.25978	0.7
206.99640	1.7
219.52516	0.7
225.00754	11.7
265.14810	1.7
277.21738	2.2
278.21722	0.7
279.23389	3.6
299.04507	3.2
504.30768	2.6
577.26923	100.0
578.27319	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	577.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89446	0.6
56.14012	0.7
59.01364	1.6
63.96241	1.2
69.03461	0.8
69.07561	2.5
69.07964	1.8
71.01390	7.7
71.63396	0.6
73.02956	1.4
78.98602	6.2
79.95749	11.4
80.96526	69.9
81.03450	1.5
85.02956	3.2
87.00903	3.8
94.98094	17.3
96.95993	1.0
97.02956	2.7
99.00935	0.7
101.02454	3.6
106.98122	3.3
121.79022	0.8
122.97618	5.2
125.02450	2.9
127.04000	1.2
134.97600	4.3
136.99132	1.5
148.99174	6.3
152.98692	6.2
164.98637	12.6
171.55096	0.6
182.99707	2.3
206.99698	2.8
209.09201	0.6
225.00775	17.8
243.01851	1.7
245.38594	0.7
277.21747	2.0
299.04480	3.0
392.53378	0.6
577.26935	100.0
578.27203	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	577.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.98841	15.1
68.32537	1.1
69.03448	1.1
70.22503	1.4
71.01383	6.6
71.42973	1.1
73.02943	2.1
78.95913	2.2
78.98586	5.8
79.95752	11.1
80.96526	58.6
85.02934	2.6
87.00916	1.5
94.98100	14.2
96.96011	4.5
97.02962	2.4
101.02440	2.5
106.98082	2.6
121.02964	2.0
122.97574	2.8
125.02460	3.2
134.97612	4.7
147.51454	1.1
148.99174	5.4
152.98640	6.3
164.98596	9.4
208.25446	1.1
210.02704	1.3
225.00720	11.7
235.29893	1.1
265.14789	4.1
277.21765	3.1
299.04398	3.1
314.81772	1.2
379.28583	1.7
380.28778	3.7
577.26917	100.0
578.27179	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	578.261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	31.3
67.93698	26.7
69.53396	100.0
78.72533	28.7
119.05029	84.1
122.02493	51.2
143.33568	24.7
154.87070	26.5
261.86047	27.0
280.33789	26.7
335.42377	28.6
546.18665	31.0
560.23444	57.2
578.24786	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41453	1.2
61.98838	100.0
71.01397	1.6
78.98582	1.7
79.95766	2.1
80.96534	10.0
92.71392	1.3
94.98087	2.9
152.98689	1.2
164.98601	2.5
204.91814	1.1
217.18962	1.3
225.00700	2.5
248.27084	1.3
255.89050	1.2
319.19614	1.3
395.82529	1.4
499.53354	1.3
579.28351	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	578.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44655	0.7
61.98835	100.0
65.00344	0.9
73.67012	0.7
78.95892	1.8
80.96536	1.4
84.90400	0.9
85.19445	0.7
86.11461	0.7
94.40424	0.7
118.05958	0.7
120.29878	0.7
267.02960	2.3
268.03732	6.2
269.04224	4.2
270.04834	0.9
279.23410	1.3
349.33417	0.7
379.11700	0.9
579.28931	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	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38125	0.2
53.42818	0.2
59.01385	14.9
59.80394	0.2
69.12341	1.1
77.34997	0.2
78.95914	5.7
92.59194	0.2
96.96989	0.2
99.03534	0.2
139.84198	0.2
152.99658	1.1
158.88876	0.2
168.04332	1.2
224.06984	0.8
231.33302	0.2
242.07988	2.6
261.22287	0.3
279.23309	100.0
280.23685	4.8
351.68723	0.2
484.63925	0.2
504.31003	28.5
505.31372	2.0
550.80206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79189	0.7
59.01385	19.2
59.06367	0.6
61.98822	1.3
63.54072	0.6
70.93605	1.0
71.01379	1.5
73.13657	0.7
76.64494	0.7
78.95911	20.7
78.98608	0.7
79.95750	2.0
80.96526	11.1
85.02962	1.0
94.98088	3.3
96.96012	2.3
101.02492	0.8
115.04006	1.5
119.05029	0.8
148.24033	0.9
152.99614	3.0
164.98608	1.9
168.04330	2.3
223.78052	0.6
224.06906	9.0
225.00793	1.9
242.08018	2.6
265.14798	1.5
266.14926	0.7
279.23315	100.0
280.23654	4.2
406.24011	0.8
504.30988	64.6
505.31268	3.4
578.27264	21.3
579.27490	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
68.17927	0.5
69.33334	2.5
71.01400	1.0
72.99299	1.0
79.95748	3.5
81.95335	2.6
84.72063	0.5
84.93879	2.1
95.01434	0.6
96.96021	100.0
97.95934	3.1
97.96503	0.8
98.95604	80.1
98.96433	13.6
99.00871	1.3
99.92590	17.5
100.93368	11.6
100.93987	1.1
105.00322	0.6
108.93847	0.9
111.00887	1.9
113.02466	0.8
115.92097	14.6
116.92872	24.4
124.93360	1.0
126.94942	0.8
127.00320	0.9
128.92886	1.3
136.98878	1.2
137.02332	0.6
139.00397	1.9
141.01996	3.0
142.94420	3.6
154.94463	1.0
156.92308	0.7
158.93910	1.1
164.98303	1.1
166.94398	1.1
169.93166	0.9
170.93933	2.5
227.03522	0.9
240.94409	1.0
249.92059	0.6
250.92952	0.9
255.03360	0.6
256.93964	2.5
257.94638	1.6
258.95398	4.0
268.93799	0.6
270.94019	0.5
274.95053	4.1
275.09872	0.6
275.95459	0.6
282.96970	0.9
303.05057	1.2
310.96411	0.9
322.96378	0.9
326.95990	0.6
350.95786	0.7
357.11813	0.8
366.95474	3.0
376.99200	0.9
384.96515	2.9
417.15747	0.9
424.94742	1.4
475.78036	0.7
519.03345	1.5
524.97815	0.7
542.98785	17.1
543.99377	1.1
560.99677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
59.71107	0.4
65.00330	24.4
71.89745	0.4
73.02954	0.7
78.95930	0.5
81.03336	0.4
92.99824	5.3
94.17577	0.4
96.96024	0.6
96.99324	6.8
101.02495	0.4
108.99330	1.5
111.00063	0.4
111.00832	0.9
113.02456	0.5
116.37036	0.4
120.99327	3.3
124.01705	0.8
126.21621	0.4
130.04024	0.4
135.25230	0.4
136.98820	18.6
149.99590	0.9
152.01151	0.8
164.98306	49.1
165.98622	0.9
169.06592	0.9
171.04518	1.7
173.06100	1.1
175.79295	0.5
177.99091	2.0
197.06131	1.2
199.04018	3.1
211.95985	0.4
213.05548	0.9
216.37906	0.4
225.05652	1.1
227.03474	2.0
239.03491	1.6
241.05190	2.9
243.06683	3.3
267.03027	2.9
269.04562	100.0
270.04922	4.1
271.06137	9.9
282.07385	0.5
285.04068	0.8
287.05640	9.2
373.20239	0.6
535.24921	0.5
561.07898	4.2
579.08997	0.9
598.73743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
60.99306	14.3
65.00339	3.1
69.80784	4.7
69.81147	4.4
88.98813	100.0
98.22631	2.1
99.57473	2.0
105.94630	2.1
113.02452	2.7
136.98834	3.2
144.50339	2.5
164.98238	5.3
243.79387	2.3
269.04529	7.3
271.06110	2.8
273.15778	2.2
283.02756	2.6
298.04968	2.7
313.07190	5.3
489.11295	3.8
578.09271	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	579.102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15386	2.0
71.01389	0.4
73.02942	1.1
76.82467	0.3
85.02966	0.3
87.27979	0.3
99.00893	1.0
99.92596	9.5
100.92592	0.4
113.02470	0.7
116.92873	100.0
117.01952	2.9
117.92892	2.6
125.09482	0.3
135.04581	0.5
193.86111	0.3
215.07213	0.3
255.63464	0.3
354.88464	0.3
461.16782	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.8
63.67604	3.4
65.00330	25.4
68.99833	4.3
69.03462	6.0
69.68295	12.4
72.94632	3.1
72.99309	6.5
73.28841	3.1
79.01926	3.3
81.03458	4.1
83.01398	5.1
91.01910	3.7
92.99835	3.8
93.03494	7.2
95.01400	11.9
96.99301	3.9
97.02958	15.2
99.00915	3.7
107.01389	10.8
108.02161	14.2
109.02928	8.6
110.00092	5.4
111.00887	12.8
114.51616	3.4
115.00388	8.6
118.76921	3.4
119.01369	4.6
120.02213	6.6
120.99284	3.9
121.02949	11.5
123.00905	7.4
124.01672	29.4
125.02444	18.8
127.00348	4.0
131.01353	4.2
135.00899	18.1
135.04550	8.2
136.01686	48.3
136.98807	14.9
137.02473	16.4
139.00407	10.1
141.01877	3.8
147.00841	7.3
147.04471	4.2
148.01663	4.5
149.02475	8.6
151.00331	7.3
152.01111	6.6
163.00418	29.2
163.03969	9.5
164.01172	49.3
164.98325	17.7
165.01938	9.2
165.05530	8.7
165.99107	6.8
166.99818	5.2
169.01421	5.1
171.04567	16.8
173.06042	8.8
175.00356	8.5
177.01930	7.9
181.06685	5.3
183.08203	7.9
185.06027	3.9
190.99919	9.2
191.03520	11.7
192.00673	24.7
193.01427	16.4
194.97459	3.7
197.06184	4.4
199.03986	4.1
199.07738	5.7
207.08144	3.6
209.06100	5.0
211.07703	6.9
218.99359	5.2
219.99969	4.0
223.07672	7.7
225.05611	14.4
227.07146	10.0
229.04987	6.1
235.07590	10.3
237.00415	25.0
239.07050	4.9
241.05025	11.4
243.06641	33.5
251.07181	12.7
253.05104	15.4
253.08691	4.4
255.06721	4.7
267.06577	32.6
268.07407	48.5
269.04532	49.9
269.08078	15.2
271.06158	100.0
279.06583	22.7
281.04443	5.0
295.06091	38.7
296.06897	32.4
297.04669	3.6
297.07742	23.4
300.06406	13.6
307.06134	47.2
313.06979	6.7
323.05670	71.9
324.06250	14.7
325.07138	13.1
340.05844	3.8
341.06683	75.1
351.05103	18.8
367.04568	21.1
368.05212	10.2
369.06213	13.3
395.04111	25.6
489.11996	96.9
517.11584	19.6
561.10449	38.7
582.89569	4.1
583.12189	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	579.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.93230	0.5
64.99864	0.5
65.00333	0.5
66.19753	0.6
69.28872	1.0
69.29268	2.0
72.00606	0.5
78.95909	0.9
79.42612	0.4
125.02626	0.5
129.58914	0.4
168.07639	0.5
224.35527	0.5
268.03699	1.0
269.04547	0.8
270.07870	2.2
271.06299	0.6
412.12454	0.5
454.12894	2.2
579.15948	0.9
579.26337	1.4
598.42889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08381	1.9
59.01366	5.1
61.98831	6.1
65.00332	12.4
68.99818	3.7
70.41304	1.6
93.03450	2.2
96.96028	3.8
101.03996	1.9
111.00889	2.9
111.50676	2.2
116.98035	1.7
117.03496	2.1
117.63494	1.6
119.04990	2.8
136.98793	5.6
143.05066	2.9
145.02966	1.9
145.06685	2.3
157.06584	6.4
163.00299	1.7
164.98283	5.7
169.02924	2.4
169.06560	1.8
171.04503	6.2
172.01570	3.0
173.02492	2.1
173.06104	10.0
177.01924	2.7
185.02361	3.2
193.06578	4.7
195.04471	3.0
197.06061	5.8
199.03957	1.9
199.07625	7.4
200.01158	3.1
206.07266	4.3
210.06842	1.9
213.01900	6.1
216.00647	3.9
221.02435	5.4
221.05975	5.6
222.06844	5.1
223.07596	3.1
225.05589	4.1
226.02719	2.1
231.02951	3.1
231.08116	2.5
233.00868	4.1
233.06079	2.9
237.01837	3.1
237.28282	2.2
238.06258	3.4
240.00684	2.1
241.01353	2.9
242.08160	3.3
243.08170	3.6
247.07640	4.3
249.05583	34.4
250.06349	9.2
251.07047	3.9
257.00888	4.4
259.02487	9.5
259.07419	3.7
262.06360	2.5
265.01346	5.7
266.05811	2.0
267.02869	1.9
269.04593	15.6
270.07529	4.1
271.07904	4.1
273.09155	5.3
275.07205	11.7
276.07870	5.0
277.05054	5.5
278.05804	8.5
281.01007	1.8
283.20544	2.1
287.07202	4.9
288.07944	2.8
291.06509	3.2
299.07230	8.9
300.07831	4.0
301.08865	2.3
302.05719	4.9
303.06714	9.4
304.07187	5.7
309.00186	2.5
309.07620	6.5
311.07068	3.3
315.06580	5.8
316.07364	2.9
317.08133	12.8
320.07025	2.5
327.01266	2.0
327.06491	6.3
328.07336	5.4
329.08185	3.2
341.07944	4.1
342.05103	2.7
343.05997	7.4
344.06851	8.6
345.07477	4.9
353.06592	4.7
353.12299	2.1
357.07520	2.4
363.08633	10.3
365.06696	44.9
366.06989	2.6
369.07516	3.9
370.08420	5.4
371.05478	5.0
372.06436	4.1
385.06824	1.9
387.08557	3.5
397.06848	2.4
403.07928	2.4
413.06747	8.1
420.13739	3.1
429.05640	2.5
431.07990	15.0
431.13065	3.6
432.13348	4.1
434.11554	3.1
441.06210	3.7
448.13339	12.4
450.10962	5.0
457.05551	2.6
458.11581	2.9
475.11932	8.5
476.12601	6.2
491.15244	3.0
492.12097	2.9
493.12790	7.3
507.14484	3.4
517.12756	2.0
519.10626	5.9
535.14081	29.5
536.13971	3.4
537.11908	8.5
561.11896	6.8
579.12854	100.0
580.13275	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	579.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12804	1.5
58.69388	1.4
59.96162	1.4
61.98813	2.0
65.00323	10.0
68.99822	3.9
69.77569	5.4
78.57223	1.3
83.01343	1.8
96.84454	1.6
110.00062	2.4
111.71712	1.5
117.03463	2.0
119.01386	1.6
136.98822	7.2
137.02351	1.8
141.68347	1.4
145.02917	1.8
145.06461	2.0
147.04501	1.9
157.06554	6.7
164.98309	7.6
169.02954	2.5
169.06584	2.3
171.04497	4.9
172.01723	3.3
173.06097	8.0
181.02846	1.8
184.01637	3.4
185.02423	1.7
193.06586	4.9
197.06021	5.8
199.07643	10.1
200.01077	3.3
205.06532	3.0
206.07275	5.0
209.02248	1.8
209.05984	1.8
212.01030	3.2
213.01959	7.8
213.05444	3.3
216.00616	6.8
219.07983	1.8
220.05324	2.4
221.02380	5.8
221.06012	7.9
222.06779	4.4
223.07530	3.3
224.00989	1.7
225.02094	1.6
225.05591	4.1
226.02721	1.9
231.02884	6.3
231.08020	2.5
233.00824	3.7
234.28185	1.6
237.01843	2.1
238.06300	3.2
241.04993	5.0
242.02040	2.2
242.08229	4.4
243.02679	2.0
243.08122	3.4
244.08748	1.7
247.07687	3.4
249.05563	38.7
250.06340	14.0
251.06999	4.3
257.00775	4.4
259.02405	11.5
259.07550	4.1
260.08429	2.1
262.06213	2.8
263.07199	1.8
265.01300	6.3
265.04852	3.3
269.00613	1.6
269.04529	8.9
270.07718	13.4
271.07629	5.0
272.02429	1.9
272.08255	1.9
273.05588	2.2
273.08972	3.2
274.06128	3.3
275.07144	14.0
276.08047	7.4
277.04834	4.8
278.05762	5.4
279.06787	2.1
281.00961	2.4
283.02576	2.7
283.07614	2.2
284.08182	1.7
286.06427	1.7
287.07043	6.1
288.07730	2.3
291.06458	5.5
299.07022	12.4
300.07684	5.4
301.08517	3.8
302.05795	4.2
303.06638	12.8
304.07242	5.4
307.02429	1.8
309.07791	7.6
313.08640	2.3
315.06448	6.3
316.07428	3.0
317.08310	10.6
319.06006	3.1
320.06613	2.7
325.08365	2.8
327.01202	3.3
327.06894	7.9
328.07166	5.7
329.07938	2.3
335.09122	2.0
341.08066	4.5
342.05261	2.3
343.06104	9.4
344.06747	8.0
345.07266	6.5
349.07074	1.9
353.06833	7.6
355.05847	1.8
357.07535	1.8
363.08746	12.3
365.06674	54.9
366.06720	2.1
369.07520	4.1
370.08319	6.3
371.05261	6.1
372.06204	6.0
385.07370	2.9
387.08701	6.4
397.07138	2.3
398.13751	5.3
403.08365	3.2
403.13132	3.3
405.11096	2.2
407.07474	3.2
413.06757	8.1
415.08228	2.0
431.07422	17.0
431.12851	4.5
432.13464	2.4
434.11444	2.5
441.05872	6.9
447.11963	5.0
448.13092	13.0
450.10977	3.3
457.05328	2.4
475.11563	6.7
476.12506	8.0
491.14755	4.9
492.11847	3.0
493.12802	6.4
507.14279	4.5
519.10370	4.2
535.13971	33.6
536.14191	4.8
537.11749	12.2
551.18396	1.9
561.11896	6.8
579.12671	100.0
580.12805	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	579.136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20516	0.6
59.01373	1.9
69.17445	3.7
71.01389	2.3
72.99320	0.8
73.02937	1.4
85.02967	0.9
91.05492	0.6
98.22629	1.1
99.00871	0.8
101.02440	0.9
107.05051	0.7
108.02184	54.2
109.02972	24.3
123.04575	1.0
133.02982	5.6
134.03705	2.9
135.04543	19.8
150.03203	1.1
151.04030	2.6
152.01167	100.0
153.01991	3.9
161.02457	11.1
163.04027	3.4
165.05540	1.0
179.03516	5.9
241.07175	5.3
267.05008	1.0
285.06192	1.5
291.50458	0.7
342.31607	0.7
399.09567	3.1
417.10410	84.4
418.10428	3.3
535.14386	1.3
579.13580	72.5
580.05847	0.8
580.13623	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	579.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86729	0.6
58.02970	0.9
59.01380	4.7
69.06658	5.0
71.01400	3.5
72.99313	0.6
73.02953	2.2
74.02473	2.2
83.01376	0.8
85.02994	1.3
89.02452	1.2
98.02510	0.6
101.02450	1.7
107.05039	0.7
108.02183	51.1
109.02969	25.6
113.02454	0.9
116.05067	0.7
123.00886	0.8
123.04530	1.1
123.92301	0.6
133.02980	6.9
134.03749	2.4
135.04538	16.4
150.03178	0.9
151.04025	3.0
152.01166	100.0
153.01897	4.0
161.02460	13.1
163.04012	3.7
165.05562	0.9
176.58739	0.6
177.01830	0.8
179.03537	7.2
181.24155	0.6
203.08270	2.7
241.07251	6.0
245.09355	6.9
285.06232	1.5
298.65967	0.7
309.07590	0.7
327.12567	0.8
339.12424	1.7
399.09317	2.2
406.45258	0.9
417.10419	82.8
418.10840	4.5
490.52124	0.7
519.31860	1.0
535.14911	1.8
539.79932	0.7
579.13593	74.3
580.13873	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	579.1509
Annotation	leufolin B
Peak:m/z	Relative Intensity
59.01368	1.4
61.61237	0.8
61.98838	29.8
65.00330	2.4
68.99802	0.6
69.56121	2.6
90.86594	0.7
95.01400	2.1
108.02190	0.9
110.00114	4.1
111.00929	3.6
123.00905	1.5
124.01676	9.2
136.01678	3.3
136.98813	3.1
137.99570	1.3
139.00377	6.5
152.01178	6.7
153.07210	0.8
155.13702	0.7
165.05609	1.2
165.99068	1.7
166.99844	3.4
171.08057	0.9
173.06052	2.2
181.06555	0.8
185.06110	1.6
209.06079	1.2
225.05458	4.4
227.07188	2.0
229.05090	1.2
243.06636	30.6
243.09135	1.6
244.07068	1.3
251.05711	0.8
253.05064	6.4
269.04572	2.1
270.05377	2.3
271.06131	100.0
272.06607	3.4
381.06158	1.4
526.08630	1.1
544.10168	2.1
561.14856	0.8
579.14990	1.2
579.25757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78561	4.4
61.86128	4.3
65.00330	11.4
65.99845	9.6
68.99832	5.9
69.20238	9.0
69.20644	16.3
109.06602	13.3
110.06147	13.3
111.04488	8.6
121.01744	5.4
123.04540	6.8
135.03352	6.0
144.66466	4.4
151.04008	5.8
152.07268	5.7
156.08217	8.3
165.00627	21.9
169.06577	4.9
171.04527	10.7
175.99922	5.0
184.07603	6.9
216.02684	4.4
226.08745	11.2
234.05725	5.7
242.08220	29.0
252.06784	4.9
268.06082	12.6
269.04483	10.1
269.07086	10.3
270.05063	6.9
270.07776	78.8
278.04730	10.5
280.06137	8.6
294.07797	13.9
380.12750	5.0
382.10788	27.8
384.12512	5.4
398.14059	100.0
449.07413	4.9
492.18146	6.3
535.19159	36.1
561.16693	6.3
579.18109	95.5
580.16278	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	579.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60065	1.8
53.67879	2.0
57.65809	1.9
59.01387	14.7
61.98818	2.3
68.99828	19.5
70.71618	2.5
71.01350	2.2
73.02926	2.1
93.03459	2.7
108.02185	32.0
109.02960	5.8
117.03445	5.0
119.05036	8.8
122.03779	2.9
123.00900	6.4
123.04528	34.0
126.97720	2.0
129.37968	1.9
132.02191	7.1
133.02928	2.2
133.39359	1.8
135.04520	2.0
137.02443	3.3
138.03261	14.9
147.04541	3.5
150.03244	13.8
161.02483	10.0
162.03241	31.9
163.04037	11.3
171.13826	1.7
175.03981	6.3
177.05580	36.6
178.02733	33.8
190.06372	5.6
193.05067	100.0
194.05867	10.9
218.05830	14.7
220.66483	2.1
220.76439	2.3
222.05205	3.1
231.06577	2.8
254.05850	2.6
266.05878	4.8
270.46292	1.9
278.05792	9.0
281.08078	2.7
282.05515	2.1
297.07574	2.2
306.05347	5.4
307.06235	5.4
310.04865	2.2
321.07724	18.8
322.04645	3.4
322.08243	2.9
324.06375	2.4
325.07095	14.1
325.10388	3.1
336.10110	8.4
337.07187	16.4
339.08707	5.4
340.09683	11.8
352.09567	5.9
354.11115	9.8
355.11850	30.8
367.11905	36.5
467.02368	2.0
473.70837	2.1
535.25623	7.8
549.17688	3.2
579.18665	33.0
579.26996	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	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72125	0.9
55.43431	0.9
55.87496	0.8
59.01385	100.0
60.56945	0.9
69.30173	4.4
71.01383	3.6
73.02957	6.0
79.06256	0.9
83.01398	1.8
85.02957	1.6
89.02493	1.2
95.01353	1.1
99.00060	1.0
101.02465	3.5
113.02452	1.7
121.02993	1.5
121.89169	1.0
126.90453	3.7
136.01682	10.5
151.04024	15.9
160.05365	1.0
161.02455	1.3
161.04504	1.1
167.03537	2.2
175.03943	1.2
175.07661	3.1
190.06453	1.3
205.05093	1.0
235.07808	1.7
251.07193	1.3
261.05640	1.0
263.07068	2.8
269.04477	1.6
278.09277	2.0
279.06613	3.1
281.08148	4.4
285.03973	2.9
293.08130	1.6
294.08926	3.2
297.07764	7.9
297.10703	1.5
308.10495	1.2
309.07700	11.4
309.11371	7.0
312.06393	1.5
312.09903	8.2
324.10034	10.0
327.12402	44.2
328.12653	2.1
337.06870	1.8
338.07346	1.1
339.08072	1.3
339.12363	36.7
340.12973	1.3
347.52515	1.0
347.57016	1.0
349.68854	1.0
357.13345	1.5
375.14618	1.8
561.20129	1.6
579.15436	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	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75450	0.3
69.03455	0.4
69.38585	1.7
78.55970	0.4
79.05521	0.5
86.41176	0.4
104.72764	0.4
105.08403	0.3
109.18019	0.3
112.68832	0.3
123.04511	1.5
144.11052	0.4
145.06461	0.3
163.07642	0.6
189.05516	0.4
201.05640	0.4
202.06468	0.7
207.10240	0.6
211.07614	0.7
225.09282	0.6
226.10075	1.8
227.10648	0.5
232.07399	0.6
239.07138	1.2
241.12296	1.3
246.09167	0.4
253.08737	2.2
254.09451	4.2
255.09851	0.5
268.11014	0.7
269.11734	1.6
270.12753	0.6
280.11072	1.0
283.09674	1.4
283.12875	0.4
285.14850	0.4
297.07962	0.7
297.11420	1.1
298.08502	1.8
298.12009	8.8
299.12445	0.8
299.42609	0.4
313.10806	1.5
313.14252	0.7
315.12341	0.7
324.09946	0.5
329.13867	0.7
331.11887	1.3
331.15579	0.8
341.10178	0.6
342.11081	10.4
343.11420	0.8
345.13297	0.5
357.13452	2.3
359.11459	0.5
360.65411	0.4
373.12814	0.5
374.13724	1.8
375.14484	100.0
376.14777	5.3
579.20917	22.5
580.21344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97420	0.2
51.75482	0.3
59.01389	0.3
71.01394	0.3
80.56785	0.2
108.23773	0.3
139.04065	0.3
154.20692	0.3
167.03493	0.3
179.07108	0.5
180.04340	0.3
184.53880	0.2
191.03607	0.3
204.04369	0.5
205.05241	0.3
213.09251	0.6
215.07199	0.2
217.05122	0.4
219.06607	0.7
223.09824	0.3
243.06670	0.4
248.06866	0.5
257.08237	0.9
263.09277	1.1
271.09848	0.9
272.10519	0.8
283.09723	0.4
287.12891	2.4
298.11932	0.3
301.07330	0.3
301.10648	0.7
313.14426	0.9
315.08865	0.6
315.12430	0.9
316.09488	0.3
316.13144	0.6
330.11258	0.5
331.11844	3.3
331.15564	2.9
357.09830	0.4
357.13565	2.3
359.11414	0.6
373.12964	0.7
374.13678	0.4
375.14499	100.0
376.14856	5.3
417.15778	0.3
491.10101	0.5
531.98065	0.3
545.42584	0.3
579.20782	4.2
580.21478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2087
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.49870	0.9
58.18226	0.8
59.01376	1.2
71.01392	2.4
73.02919	0.8
73.59158	0.9
81.71073	0.8
89.02448	1.2
94.78439	1.1
95.01363	1.0
98.21909	2.7
109.03004	1.6
123.00864	1.7
137.02464	8.8
149.02469	1.0
151.00369	16.4
151.04042	1.1
152.01166	1.2
152.04840	3.2
166.02718	59.5
167.03439	3.0
175.04094	1.6
177.01974	2.2
181.05078	73.4
182.05374	1.5
192.04272	1.8
193.05035	1.1
205.08752	1.1
274.82626	0.9
339.62289	1.2
345.64157	1.0
359.11414	1.9
375.14450	1.3
387.10898	14.1
402.13232	7.5
411.80545	1.2
417.15570	100.0
418.15906	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	579.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.9
70.19482	0.7
71.01391	5.4
71.42055	0.7
73.02940	1.0
77.34789	0.7
79.83173	0.7
81.03451	1.4
83.01393	1.1
84.19946	0.7
85.02963	2.0
89.02455	2.2
91.01900	2.7
93.03458	3.4
95.01389	1.4
101.02440	3.3
107.01411	2.1
108.02176	6.4
109.02977	4.5
110.02420	0.8
111.00885	1.8
113.02436	2.2
116.92861	2.4
117.03516	1.1
117.05577	0.9
119.04987	0.8
122.03740	3.8
123.04528	12.3
125.02467	1.6
135.04509	1.0
150.03253	1.6
150.99323	1.1
151.00400	10.5
152.01169	11.6
153.01939	0.8
161.13368	4.6
161.48837	0.7
166.02722	15.1
167.03508	56.9
168.03839	1.7
175.04276	0.8
181.05089	13.4
188.02269	0.7
194.02216	11.1
195.02946	1.6
205.12418	5.8
209.04568	100.0
210.04865	2.3
213.05576	2.5
225.04257	0.7
239.05644	21.6
249.11377	7.2
255.05190	3.0
269.06668	36.8
329.08835	9.8
375.14536	1.2
503.20282	1.0
519.24927	1.6
547.19214	1.4
579.20740	1.7
579.33917	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	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
65.40761	0.7
69.21944	3.9
69.22330	1.7
71.01383	1.6
73.12335	0.6
76.13652	0.7
79.05509	0.9
85.02976	1.2
87.41951	0.7
89.02489	0.8
97.02974	1.2
101.02482	1.3
119.05046	0.8
123.04521	1.7
130.20538	0.7
151.04018	0.8
163.07629	0.8
179.07108	0.9
189.05495	1.0
202.06441	0.9
205.05118	0.7
225.09224	1.2
226.10007	2.7
231.68159	0.8
239.07149	1.3
241.12392	2.9
253.08720	3.8
254.09557	6.5
257.11780	0.8
269.11990	3.6
280.11188	1.1
283.09839	1.3
285.15027	1.3
287.12833	1.0
287.15805	0.8
297.07971	1.6
297.11353	2.0
298.08508	3.1
298.12146	9.3
313.10962	1.3
313.14468	1.9
315.12241	2.1
319.02869	1.4
327.08792	0.9
329.14044	1.6
331.11966	2.5
331.15564	0.9
342.11008	13.1
357.13519	3.6
359.11505	2.6
373.12924	1.2
374.13705	9.6
375.14517	100.0
376.14871	3.9
472.16602	0.9
507.75595	0.9
519.18762	16.9
579.20905	56.6
580.21228	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	579.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64507	0.6
55.00828	0.5
59.01387	1.5
69.25071	3.7
70.05960	0.6
78.95915	1.6
92.24217	0.6
119.05055	0.8
122.42330	0.6
136.98874	0.7
162.03256	1.3
171.04494	0.8
175.04070	3.1
211.13348	1.7
227.12874	1.2
232.11032	1.2
233.11829	1.4
242.08348	0.9
245.06084	0.8
245.11737	0.7
267.02640	0.8
268.03754	2.7
268.06259	0.9
269.04541	2.2
270.07797	3.0
279.23398	3.2
280.23688	3.5
282.05283	4.9
291.06750	1.4
292.13522	0.7
293.04517	3.3
293.07901	0.9
295.06195	6.9
308.06940	5.6
309.07507	1.3
321.07755	16.2
322.08130	1.3
335.09396	2.0
349.10718	1.6
350.11752	1.1
351.12494	3.7
361.14313	0.8
363.12299	0.8
365.13947	1.5
376.08755	0.8
378.14886	1.1
379.15555	13.2
425.70831	0.9
504.31165	0.8
505.31323	2.8
561.24817	2.0
574.71112	0.7
579.26056	100.0
580.17017	1.3
580.25970	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	579.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70222	1.7
56.73910	1.4
61.26404	1.7
63.58930	1.5
65.00320	2.8
70.55579	2.5
78.95913	1.9
80.96527	5.9
85.87775	1.4
110.00101	6.2
116.92937	1.7
134.16689	1.6
139.05635	1.9
163.00421	9.7
164.98460	1.5
165.99100	5.4
171.04549	3.8
184.05286	3.0
195.04494	3.2
195.42288	1.6
211.04103	2.4
239.03503	14.4
248.28391	1.8
259.43900	1.6
266.05429	1.5
267.03015	43.5
268.03778	100.0
269.04495	13.1
270.07727	2.2
284.03461	1.8
345.95941	1.8
363.12823	1.9
579.28345	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	579.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85326	0.5
52.55214	0.5
54.08718	0.5
57.82191	0.6
65.00315	1.4
69.88084	0.8
69.88451	1.8
80.35789	0.6
88.65583	0.6
89.91000	0.6
92.92810	0.8
92.99837	1.2
96.96017	1.1
98.21906	0.7
110.00092	4.1
135.00891	1.4
137.99579	1.0
139.05539	1.3
145.03003	2.4
156.03856	0.7
163.00389	14.9
165.99089	3.1
171.04539	3.5
172.05272	0.6
180.37473	0.6
184.05341	3.6
195.04507	1.9
196.05260	1.9
198.03214	2.3
211.04022	2.3
212.04826	0.7
223.03973	1.1
224.04840	1.1
239.03511	14.3
240.04190	2.1
267.03000	37.8
268.03778	100.0
269.04425	10.3
269.95749	0.7
311.22266	2.6
363.12482	1.9
436.41534	0.7
440.22913	0.6
500.43692	0.8
579.26123	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	579.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90921	3.1
59.01385	18.5
61.98848	3.9
64.98580	3.3
67.38812	3.3
69.07526	16.5
69.07932	7.3
79.73101	3.5
85.06603	12.9
95.05067	5.2
97.06641	4.9
98.21879	6.2
98.57131	3.2
101.03433	3.1
101.06099	18.4
111.04521	5.5
113.06136	11.1
115.04029	50.4
115.07658	18.0
119.08676	18.3
124.01672	5.8
125.02489	4.7
129.05540	3.4
139.04031	100.0
141.05592	4.4
143.07188	9.4
145.10210	4.3
153.05612	6.7
163.07695	42.9
171.06659	87.1
182.56921	3.7
189.07788	7.5
215.10812	4.6
222.91589	3.2
229.16000	6.2
255.13914	13.4
273.14993	81.0
445.22336	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	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98832	6.7
63.96235	0.9
69.03471	0.4
71.01385	6.0
73.02965	1.8
78.98601	5.0
79.95738	9.5
80.96526	61.8
81.03455	0.8
81.96973	0.4
83.01415	0.4
85.02957	2.6
87.00907	3.4
94.98094	13.3
96.96015	1.3
97.02969	2.0
98.22643	1.4
101.02446	1.4
106.98104	3.3
115.47973	0.4
121.56730	0.4
122.97611	5.3
125.02466	3.3
127.04017	0.6
134.97610	4.5
136.99178	1.4
143.17648	0.4
148.99162	5.3
152.98677	6.3
164.98633	9.5
167.00270	0.5
182.99728	2.0
189.87689	0.4
199.24336	0.4
206.99681	2.5
225.00758	14.3
226.52666	0.4
243.01808	1.4
254.92679	0.5
279.23260	2.0
299.04541	2.5
304.59689	0.5
379.48724	0.5
579.28491	100.0
580.28766	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26080	0.4
59.01373	0.7
60.08980	0.4
61.98836	3.1
62.17427	0.4
62.85333	0.4
63.96238	1.4
69.03460	0.6
69.95663	0.7
69.96017	0.9
71.01393	6.3
73.02949	1.8
78.98597	5.7
79.95746	8.9
80.96526	64.6
81.03473	1.0
85.02961	2.4
87.00896	2.9
94.98099	14.8
96.96022	1.4
97.02956	1.7
101.02447	2.7
106.98131	2.1
122.53914	0.4
122.97604	5.3
125.02448	2.2
127.03957	0.5
134.97606	3.9
136.99165	1.2
137.29158	0.4
144.10570	0.4
148.99156	5.4
152.98660	5.6
164.98648	8.7
167.00189	0.7
176.98630	0.4
182.99721	2.1
188.98615	0.5
203.91568	0.4
206.00073	0.4
206.99731	3.1
225.00778	14.4
243.01790	1.6
279.23340	2.7
284.03268	1.2
299.04398	2.1
325.18143	0.5
506.31317	0.4
579.28503	100.0
580.28876	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	579.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98513	3.4
57.03448	4.2
59.01384	66.3
61.98836	11.3
64.23528	3.6
71.01383	26.0
71.42400	3.7
73.02949	7.5
75.00899	4.5
83.01386	6.3
85.02957	11.6
87.00867	4.8
88.98841	6.7
89.02477	5.0
93.03468	11.9
96.96036	7.0
101.02475	7.8
103.63023	4.5
109.02974	6.0
117.03474	39.1
119.03465	3.9
119.05034	100.0
123.04517	7.6
133.02985	6.0
135.04541	18.2
137.02478	6.0
143.05028	4.5
145.02968	14.8
146.45126	4.8
159.04518	3.8
161.02451	10.9
161.06120	6.2
166.02737	5.6
167.03465	18.7
205.12390	4.6
205.54529	3.9
209.04575	33.9
249.11275	5.1
257.04715	4.1
269.06662	5.8
272.83615	3.9
297.08099	3.7
313.23981	5.4
331.24927	27.7
357.13934	4.7
370.87973	4.9
401.70493	4.3
439.03415	4.6
458.11673	4.4
475.29391	8.5
493.30185	16.5
519.20770	10.0
535.31293	89.9
579.23059	17.1
579.32574	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	580.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37619	0.9
63.02393	1.8
65.00315	2.4
65.99866	4.4
68.99809	0.8
69.82498	2.4
92.99822	1.7
94.03017	1.0
95.01397	4.6
107.01389	1.2
108.00951	1.1
110.06136	1.2
118.02967	1.1
119.01390	1.6
120.23483	0.8
120.99326	3.7
128.64816	1.0
134.02455	1.0
135.00896	6.0
136.00417	1.1
136.04057	1.3
146.02455	2.5
148.04092	1.3
151.00374	1.2
156.04556	2.4
160.04031	1.4
162.01949	4.7
163.00366	3.6
163.99802	1.0
165.00690	1.0
168.04601	1.4
169.06482	1.2
171.04527	4.0
172.04138	1.3
174.01862	1.5
175.99884	4.2
176.03499	1.4
180.04553	3.0
184.04037	2.1
186.01968	1.1
190.01462	1.6
196.04028	2.4
200.03528	3.8
202.01543	1.2
216.03015	1.4
218.00966	1.0
224.03510	3.1
225.05629	1.1
226.08827	1.4
227.07109	2.4
228.02979	3.5
240.03073	1.8
240.06624	0.9
242.08261	2.3
244.02406	1.2
252.02966	2.0
252.06627	1.4
253.04994	3.7
255.06598	4.1
258.09283	1.2
268.02499	3.5
268.06146	2.3
269.06653	1.2
270.07669	7.2
271.08060	2.8
278.08066	1.9
280.06155	9.0
294.07605	4.9
296.02029	2.1
296.05521	2.1
304.09821	1.1
306.07892	1.1
312.01590	1.5
320.05768	2.0
320.09314	2.3
326.96051	1.0
328.09906	1.7
330.07721	1.6
332.09424	5.0
344.09189	1.3
348.08752	3.4
356.09436	1.5
358.07071	1.5
372.08792	15.7
376.08188	4.2
383.11093	1.9
398.13892	2.8
399.14398	8.3
400.08237	6.1
416.07864	12.8
444.07233	16.0
476.10019	8.9
520.14160	1.1
521.73083	1.0
536.18970	3.4
548.13538	26.3
549.13916	1.7
580.16315	100.0
581.16248	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	580.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	2.2
63.06991	0.7
64.01894	0.8
65.00320	2.8
65.99856	4.5
66.98618	0.8
68.99825	1.1
69.86093	1.7
69.86421	1.0
83.01360	0.7
92.95714	0.6
92.99848	1.5
95.01387	4.4
98.22577	1.0
107.01369	1.3
118.03004	1.6
119.01369	1.7
120.00904	0.8
120.99308	2.9
123.00872	1.0
128.42450	0.9
132.04523	0.8
134.02425	0.8
135.00896	7.1
146.02502	1.5
151.00388	2.0
156.04512	2.2
158.02493	1.6
160.04099	0.9
161.01157	0.9
162.01988	5.5
163.00429	3.7
168.04536	1.2
171.04546	4.1
172.04002	1.5
175.99879	4.4
176.03500	1.4
180.04521	3.8
181.06567	0.8
184.04028	2.1
186.02058	1.0
187.99898	1.0
189.00694	0.8
190.01482	2.4
196.04010	2.8
198.01956	1.1
200.03479	4.8
202.01500	1.7
212.03612	1.1
224.03552	4.4
225.05685	1.8
227.07143	3.0
228.03023	3.1
238.05171	1.3
240.03085	2.0
242.08237	1.1
244.02484	2.5
249.50354	0.8
252.03015	2.4
252.06677	2.8
253.05046	2.7
254.00922	1.0
254.05823	0.9
255.06596	3.5
267.06570	1.3
268.02533	3.3
268.06000	1.8
270.07761	3.3
272.01938	1.1
278.08246	1.1
280.06201	11.8
281.78897	0.9
283.10010	0.8
290.08206	1.5
294.07712	4.7
296.01981	2.2
296.05707	3.0
300.10349	0.8
302.08182	1.0
306.07675	1.0
312.01471	1.2
320.05539	1.2
320.09259	1.6
322.07147	0.9
328.09738	2.2
330.07663	2.4
332.09344	5.6
344.09100	1.8
348.08829	4.0
348.66452	0.8
356.09229	2.1
358.07193	2.0
372.08817	22.4
372.13586	1.1
374.06424	0.8
376.08264	6.1
400.08286	6.3
416.07779	18.3
442.09564	1.8
444.07278	16.3
445.07053	1.0
462.08316	2.2
476.09805	16.2
477.10349	0.8
504.15021	0.8
520.13574	1.4
530.12366	1.6
548.13550	28.0
549.13739	1.5
580.16174	100.0
581.16443	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	580.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54205	3.3
58.02983	7.6
61.30252	3.6
61.98824	10.1
74.02477	14.4
78.95948	4.2
80.38438	3.6
81.04586	6.0
82.02998	13.6
86.02483	12.9
87.05682	4.6
93.47588	4.7
96.96020	6.4
97.04077	9.7
99.05667	10.9
99.98859	4.8
108.48970	3.9
109.04098	14.4
110.94112	27.3
111.01967	4.7
112.93816	17.4
114.02516	3.8
125.03598	30.3
126.04357	6.4
127.05133	23.9
128.03566	92.0
135.05635	19.0
136.03979	4.2
141.06755	7.5
143.04626	26.8
145.06195	8.3
151.05103	6.6
152.08235	4.9
153.06691	24.0
167.08252	25.4
170.03346	9.2
174.59280	4.1
179.04666	36.2
185.05606	7.3
192.07829	8.8
196.07202	5.0
197.05692	19.5
204.92313	47.2
206.91959	28.0
210.08867	12.8
236.06734	4.6
254.07817	26.5
267.60437	4.1
302.08188	30.3
356.14587	4.4
371.10284	6.6
372.17621	8.1
406.12857	21.0
445.13919	7.6
514.16150	28.0
532.17377	31.5
548.14954	9.1
580.17529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
61.98835	100.0
71.01397	1.4
71.41415	0.6
93.03468	1.2
108.02182	7.6
109.02396	1.2
109.03013	2.7
110.03294	0.6
110.13609	0.6
111.02048	0.7
135.04527	3.4
136.04854	1.2
137.02487	2.0
150.03145	1.0
151.04013	0.8
152.01181	12.6
153.01495	4.0
161.02489	1.6
162.02841	0.9
163.04015	0.7
165.05579	1.1
175.04071	0.8
179.03322	0.7
190.06371	0.9
193.04802	0.7
197.00650	0.8
213.05679	1.0
214.06053	0.9
230.98772	0.7
242.05432	1.1
282.08551	1.3
283.08823	0.8
284.09091	1.1
285.04056	1.5
286.04456	2.0
288.44086	0.7
310.08221	0.7
338.07504	1.3
339.07779	1.6
340.08136	1.5
368.99390	0.7
370.09286	1.1
382.47391	0.7
389.16333	2.4
391.59772	0.6
417.10275	4.2
418.10809	9.2
418.15656	1.1
419.11301	0.7
460.12683	1.2
555.99976	0.7
580.15192	18.4
581.18781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	50.2
61.98827	22.5
69.12230	49.2
69.12644	100.0
82.86339	22.2
85.02939	22.9
88.22814	17.3
88.54829	20.2
92.76891	20.0
98.21895	46.7
104.10640	18.6
113.02436	25.2
114.38835	21.0
117.03432	31.4
119.05001	28.8
165.05254	21.0
187.50743	19.9
236.62784	20.3
249.28076	22.0
377.20010	35.4
404.20322	21.7
580.19568	62.8
580.30072	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	580.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20160	2.4
59.01385	56.5
67.54372	2.8
71.01397	12.1
73.02931	3.9
85.02952	4.5
95.01418	3.2
95.20490	2.9
97.02991	3.5
98.21825	7.2
101.02441	7.4
109.02971	4.3
113.02491	11.0
153.01968	8.5
178.62259	2.7
184.51068	2.4
213.83101	2.8
255.07010	2.7
333.20490	12.6
377.16129	16.6
477.24994	100.0
478.24963	5.4
495.26019	11.0
537.27142	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	580.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20160	2.4
59.01385	56.5
67.54372	2.8
71.01397	12.1
73.02931	3.9
85.02952	4.5
95.01418	3.2
95.20490	2.9
97.02991	3.5
98.21825	7.2
101.02441	7.4
109.02971	4.3
113.02491	11.0
153.01968	8.5
178.62259	2.7
184.51068	2.4
213.83101	2.8
255.07010	2.7
333.20490	12.6
377.16129	16.6
477.24994	100.0
478.24963	5.4
495.26019	11.0
537.27142	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	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44230	0.4
59.01384	13.4
61.76108	0.3
61.98841	2.0
70.96013	0.4
78.95913	4.9
85.00445	0.8
100.92025	0.4
141.90485	0.4
152.99579	1.4
168.04309	1.2
171.04506	0.4
224.07025	0.9
242.07996	2.9
271.03723	0.4
274.29501	0.3
281.24881	100.0
282.25159	2.9
344.53610	0.3
506.32556	27.7
507.32883	1.0
548.13379	0.8
580.16095	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	581.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79362	0.7
57.80035	0.7
59.01372	0.9
65.00330	1.3
81.03455	1.6
82.00620	1.0
83.01409	1.0
87.85367	0.7
93.03467	3.3
95.05030	1.7
97.02980	0.8
104.09389	0.7
105.75150	0.8
110.00109	13.0
113.02489	0.9
117.03494	1.8
119.05029	4.0
121.02931	0.9
121.36143	0.7
123.04524	2.1
125.01620	0.7
125.02439	3.4
136.98843	0.8
137.02455	6.1
137.06117	0.8
137.99593	5.4
139.03995	1.1
149.06139	0.9
153.01945	2.2
161.02466	4.0
164.98318	1.1
165.01964	1.1
165.99084	15.1
167.03494	4.6
173.06091	2.5
181.01468	0.9
209.04570	4.2
212.04895	1.8
213.09354	1.4
214.02757	1.7
225.91173	1.1
227.03529	0.9
239.05655	1.9
240.04121	1.2
255.03001	1.6
255.06596	0.7
257.08209	1.4
281.06693	2.8
283.02551	2.1
284.03290	46.6
285.03918	1.4
296.91116	0.8
299.05637	100.0
300.05920	4.4
311.09235	1.5
329.10471	1.4
341.10321	21.7
353.10349	1.2
363.29837	0.8
371.11371	17.4
371.15903	1.4
383.11298	1.3
401.12363	4.8
443.13434	2.6
461.10828	3.6
461.15701	1.5
473.14246	1.7
581.12439	12.3
582.13251	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35831	0.3
65.00318	1.9
69.73439	0.5
69.73833	0.6
77.52979	0.3
95.01420	0.4
102.70692	0.3
108.02242	0.4
117.03483	0.3
118.15707	0.3
123.00926	0.4
123.04534	0.5
133.02950	0.4
136.98828	1.8
139.00374	0.9
141.07092	0.7
143.05025	0.5
151.00378	0.4
151.05499	0.3
152.01163	0.5
155.05005	0.3
157.06677	0.3
161.02438	1.2
164.98337	1.0
166.99815	0.7
167.03552	0.7
167.05035	0.7
169.06606	2.9
171.04501	1.1
171.08144	0.3
179.04915	0.3
181.06551	0.3
185.06064	0.4
195.04529	1.5
197.06094	2.3
209.04572	0.6
213.05658	1.3
213.09300	0.4
223.04030	3.0
224.04539	0.3
225.05580	1.0
241.05101	2.7
241.39702	0.3
251.03464	1.7
251.12973	0.4
268.03711	0.5
269.04562	100.0
270.04901	3.9
311.07910	0.3
323.09308	0.9
365.10425	0.5
377.16019	1.0
581.13513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48458	0.5
58.32038	0.5
59.01392	2.2
63.02405	2.2
65.00330	3.1
67.89232	0.5
68.22108	0.5
69.15282	3.8
71.01380	4.5
72.28930	0.5
73.02963	0.7
81.03452	4.0
83.01394	2.4
85.02985	1.3
87.00898	0.7
91.01913	1.9
93.03483	2.0
95.01391	1.0
95.05057	1.2
96.99312	0.8
97.02986	1.9
99.04527	0.8
101.02458	1.6
105.03453	0.8
107.01393	5.4
108.02184	4.2
109.02958	29.4
111.00903	0.5
111.04543	1.1
113.02473	1.9
117.03466	8.9
121.02973	2.4
122.03825	0.7
123.00951	0.9
123.04540	8.4
125.02466	3.4
135.00926	0.6
135.04501	1.1
137.02448	1.7
139.04048	1.5
147.08188	0.6
149.02469	4.4
149.06058	0.8
150.03226	1.8
151.00386	6.5
151.04074	1.7
152.01143	4.1
153.01950	49.0
153.19859	0.5
155.04913	0.6
157.06461	0.5
159.04533	2.4
161.02472	2.0
164.04782	0.7
165.01930	1.4
165.05608	2.3
166.02742	1.1
167.03511	15.4
167.04924	0.9
168.49326	0.6
169.06604	1.0
173.06099	3.5
175.04039	0.9
181.05064	1.1
181.06606	1.7
183.04491	1.7
195.03018	2.2
195.04753	0.7
195.06691	1.4
196.05368	1.6
197.04527	1.4
197.06126	1.1
201.05624	1.5
209.04565	6.1
213.09235	1.6
221.04636	1.0
224.04776	1.1
225.03957	2.1
225.05910	3.4
227.03642	1.2
227.10831	0.8
229.08740	1.1
239.05548	2.9
240.04272	2.2
241.05266	0.9
255.05006	1.1
257.08215	2.4
267.03204	0.8
267.10223	0.5
268.03790	11.5
269.04562	94.5
270.04959	2.9
282.05368	0.9
283.06155	25.6
297.06186	25.1
298.06555	0.7
299.09256	6.9
311.05209	1.1
311.08807	2.3
325.10812	0.8
329.10419	2.4
339.09048	0.8
341.10297	33.6
342.10767	0.7
353.10242	2.0
355.11969	0.8
367.11972	1.2
371.11383	27.2
372.11859	1.0
377.15619	0.8
383.11386	1.3
401.12439	9.6
413.12692	1.0
431.09506	3.1
443.13412	2.3
461.14624	4.0
473.14603	2.7
491.15280	0.8
491.22308	0.7
581.12964	100.0
582.13409	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	581.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
65.00340	1.3
67.53443	0.2
69.33967	0.5
69.34350	0.4
79.83042	0.2
81.03410	0.2
83.44046	0.2
95.01387	0.4
109.02979	0.2
117.03480	0.2
123.00896	0.4
123.04498	0.5
133.02962	0.4
136.98810	2.2
139.00418	0.9
141.07100	0.9
143.05038	0.6
145.03076	0.2
151.05508	0.3
152.01138	0.4
157.06581	0.3
161.02469	0.7
164.98291	0.6
166.99808	0.5
167.03511	0.9
167.05084	0.7
169.06615	2.5
171.04543	1.2
173.06044	0.3
185.06047	0.4
195.04492	1.8
196.05035	0.2
197.06120	2.0
199.04063	0.2
207.04362	0.2
209.04480	0.9
213.05583	1.0
223.04057	2.8
224.04662	0.4
225.05588	0.8
225.66557	0.2
239.03459	0.2
240.04338	0.4
241.05122	2.7
245.84683	0.2
251.03528	2.2
251.12773	0.2
268.03799	0.7
269.04568	100.0
270.04904	3.5
285.18945	0.2
287.54736	0.2
311.07690	0.6
323.09421	1.4
365.10345	0.8
371.11374	0.2
377.16080	0.8
521.20032	0.2
537.17889	0.4
581.15387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62980	0.5
52.92463	0.6
62.64732	0.6
64.81448	0.7
65.00334	3.7
65.99858	1.5
66.03493	4.4
67.01884	0.8
77.91199	0.7
80.87140	0.8
83.05030	1.7
84.04568	3.4
87.00893	0.9
87.49725	0.7
91.01875	0.6
96.96029	0.7
100.70570	0.6
107.00131	1.3
108.04580	4.2
109.01731	1.2
109.02966	2.0
110.00112	0.9
110.02475	5.8
115.05573	0.9
119.00128	0.7
120.00932	1.2
121.01727	0.9
123.03229	0.8
127.11449	0.7
130.01483	1.3
134.02480	0.9
134.99706	0.8
135.00816	1.3
135.03218	1.1
136.00414	0.8
136.04102	1.0
136.98808	0.7
137.02443	1.2
138.01973	2.5
139.00381	1.7
141.07101	0.9
146.02492	1.1
148.04105	3.4
151.02728	0.8
155.04996	0.9
156.08192	5.9
164.03510	0.7
165.00688	6.5
169.06552	1.7
171.04529	5.0
180.08206	5.2
182.00961	1.6
182.09734	0.7
184.07718	2.5
190.01526	2.7
198.09372	0.9
199.03999	0.7
206.09767	2.3
208.07576	1.3
210.05719	0.9
216.03123	1.8
222.09258	1.7
224.07237	2.0
225.05598	1.0
226.08754	9.1
228.06548	1.0
232.07809	0.7
234.09076	0.7
241.05150	1.1
242.08252	8.7
250.08748	4.3
252.06738	2.3
254.05891	0.8
266.05048	0.9
266.08154	1.9
268.06241	0.8
269.04526	1.9
269.07007	4.4
270.07751	33.4
271.08102	1.5
276.06662	1.3
278.04767	1.1
293.06894	1.8
294.07761	10.1
296.05710	1.0
307.08527	1.5
312.13864	0.8
320.09311	0.9
346.16248	0.6
354.15045	0.9
356.12982	0.9
370.14563	0.7
380.13062	1.4
382.10858	2.3
398.14008	100.0
399.14197	4.9
450.13461	6.0
466.16287	1.1
466.71869	0.6
491.16336	3.7
492.14465	4.1
509.17215	36.9
510.17392	1.8
520.14575	0.7
537.17181	0.8
545.13721	4.3
564.12762	1.2
581.27582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1834
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
69.30519	5.5
69.30929	6.6
70.84515	2.4
71.01410	2.5
78.95911	100.0
80.96536	6.3
86.67857	1.9
94.50597	2.2
96.96020	19.4
96.96968	6.4
98.95568	3.2
99.92598	11.5
100.93371	14.2
115.92075	20.3
116.92877	27.0
130.62650	2.0
150.98045	4.5
152.99593	26.0
164.90489	6.3
171.00734	10.5
172.95528	6.0
178.88472	8.2
179.89226	28.8
180.90041	28.6
181.90793	5.0
196.89499	38.2
205.90823	6.2
206.91508	3.5
235.91829	9.1
236.92589	25.5
252.92053	4.5
253.92877	3.5
255.23381	2.9
270.93225	2.9
272.01685	2.3
276.95853	2.8
278.93808	5.0
281.57877	2.1
292.95062	2.9
310.96347	4.5
440.40695	2.3
473.14066	3.4
474.05972	2.3
490.14380	7.7
533.16559	3.0
545.15656	3.4
563.17279	4.6
581.18304	64.0
581.29694	6.3
582.18817	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	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05357	1.8
66.67690	2.1
69.63783	2.1
69.64116	8.7
70.16977	2.2
80.24844	2.2
81.03468	10.1
83.01390	5.0
83.36077	2.0
85.87700	2.1
93.03436	2.8
95.05042	3.8
97.02970	4.8
109.02952	4.6
121.02955	5.7
122.03700	3.0
123.04547	11.4
125.02494	12.3
131.04932	2.3
135.04535	3.8
137.02457	5.1
139.04010	4.7
149.02409	3.0
149.06009	3.5
165.05540	2.5
167.03496	23.1
171.08224	3.2
173.06091	8.8
177.01976	2.7
179.03633	2.4
181.05054	2.5
197.04553	4.4
209.04556	25.6
213.09206	7.4
227.10736	3.1
229.08852	2.5
239.05603	13.5
251.10335	2.2
255.06647	2.7
257.08145	9.1
272.09930	3.0
274.58472	2.7
283.09897	2.6
299.09262	21.6
311.09201	9.5
325.10812	4.0
329.10281	7.6
341.10309	100.0
342.10645	5.7
353.10022	7.0
371.11392	82.8
372.11935	3.3
383.11316	5.7
401.12393	27.3
413.12390	2.6
443.13422	9.8
461.14618	14.1
473.14737	5.5
538.97308	2.6
563.17151	2.2
581.18579	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	581.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41541	2.0
69.75841	3.1
81.03466	9.9
83.01405	6.9
85.02999	1.9
93.03443	3.1
95.05038	6.6
97.02975	5.3
99.04568	2.1
109.02980	4.2
111.04515	3.9
113.02457	2.1
114.83410	1.8
121.02984	2.5
123.04527	11.1
125.02457	12.3
135.04565	2.3
137.02473	6.9
137.06082	3.7
139.04037	4.9
147.04596	2.5
149.02507	3.2
149.06105	3.0
151.04019	3.0
163.04042	2.5
165.02008	2.2
165.05579	3.4
167.03513	23.4
173.06096	9.5
179.03535	3.7
194.93633	1.9
197.04587	5.8
209.04559	23.6
213.09206	6.6
223.49809	1.8
239.05576	11.9
257.08252	11.4
269.08121	6.1
269.11728	2.1
275.01926	2.0
299.09277	21.9
311.09430	10.6
325.10770	2.3
329.10266	8.3
341.10336	100.0
342.10782	4.3
353.10397	6.1
371.11377	80.5
372.11710	4.6
376.15118	2.4
383.11722	4.3
401.12460	26.3
425.12045	2.4
443.13403	10.3
461.08380	2.1
461.14343	11.3
473.14523	8.1
491.15652	2.5
581.18909	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	581.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03450	0.6
59.01390	0.9
69.03460	1.5
69.61460	0.9
69.61853	1.4
71.01391	0.9
73.06402	0.5
79.01867	0.9
80.02701	0.8
81.03461	11.3
83.01388	3.5
93.03477	1.3
95.01408	1.5
95.05038	14.1
97.02963	5.9
99.04527	5.2
105.03481	1.0
107.01416	0.9
107.05004	0.7
109.02946	1.6
111.04524	2.1
113.02523	0.7
121.02959	1.3
122.03734	2.0
123.04545	7.6
125.02456	25.3
131.05006	1.5
135.04561	0.7
137.02467	5.7
138.03268	1.3
139.04066	2.1
147.08141	2.5
149.02429	1.6
149.06078	2.3
151.00420	1.1
151.04008	1.0
152.01180	1.3
153.05663	0.6
155.03506	1.6
161.02539	0.6
162.03214	0.6
163.00400	1.2
163.04015	1.1
164.04785	2.5
165.01944	1.8
166.02722	4.3
167.03510	49.8
168.03845	0.9
171.08165	3.9
173.06082	7.9
179.03531	2.4
181.05008	0.6
183.08055	0.5
185.09688	0.7
185.91098	0.5
189.09235	1.0
191.03534	2.4
195.08138	0.9
197.04564	9.6
197.25349	0.5
205.01534	0.7
209.04530	1.3
211.07751	0.9
212.08389	1.2
213.09251	8.5
215.07129	3.0
221.04576	1.0
225.09322	0.8
227.10793	8.8
229.08769	1.5
231.10312	0.7
237.09146	0.9
237.17046	0.5
239.07170	1.2
253.08810	1.3
255.10277	3.3
257.08197	22.2
257.10889	1.2
258.08630	0.9
267.10095	0.8
269.08209	10.5
270.08777	1.1
271.09753	1.8
281.08356	1.0
283.09793	2.3
296.06854	0.7
297.07819	0.9
299.09268	100.0
300.09607	4.8
311.09409	3.7
323.09323	3.3
329.10333	28.1
330.10681	1.5
341.10083	2.1
353.10266	1.6
371.11349	1.1
401.12109	0.7
461.14563	64.7
462.15060	3.8
491.15634	28.9
492.16116	2.5
503.15558	1.8
545.17255	0.9
563.17651	2.7
581.18976	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	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73878	0.3
55.01905	0.3
59.01379	5.6
65.00322	1.6
69.28876	2.0
71.01397	3.1
72.99326	0.8
73.02951	1.2
81.03463	0.4
83.01378	0.6
85.02958	0.9
89.02459	2.0
91.01902	10.4
95.01366	0.5
99.00871	2.0
101.02443	1.7
108.02187	7.6
109.03003	0.4
111.00889	0.8
113.02461	1.6
118.64164	0.3
119.03547	0.5
119.05030	1.1
123.00893	0.4
123.04535	28.1
124.01643	0.7
131.03500	0.4
137.06049	0.4
144.78006	0.3
149.04590	0.7
152.01154	6.8
153.01926	0.3
161.04628	0.5
162.10091	0.4
166.02727	0.7
167.03506	100.0
168.03836	1.6
181.04953	0.4
190.02673	0.3
191.05588	0.6
237.34924	0.4
341.13898	1.6
377.16071	0.7
389.16119	0.5
413.14722	2.4
419.16937	0.8
431.15646	0.8
495.22385	0.5
532.51654	0.4
537.23224	0.9
581.21436	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	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.8
57.03456	1.1
59.01380	5.6
65.00339	1.9
68.99818	0.8
69.67624	1.5
69.67983	2.1
69.76779	0.8
71.01386	7.7
72.99339	0.9
73.02956	2.5
81.03463	1.2
83.01402	2.2
84.23630	0.8
85.02956	4.7
87.00880	0.8
89.02421	0.9
91.01892	8.4
93.67155	0.8
95.01406	1.2
99.00856	1.5
101.02441	5.8
107.01376	1.7
108.02178	9.6
109.02979	1.2
111.00897	1.4
113.02466	3.6
120.99667	8.3
123.00892	0.9
123.04537	36.2
125.02464	1.9
140.80330	0.7
151.00386	2.1
152.01158	9.6
153.01956	1.9
161.04575	2.0
166.02708	2.3
167.03506	100.0
168.03789	1.7
181.05099	1.3
188.62321	0.7
194.02130	1.3
209.04535	5.2
251.05615	1.9
255.72205	0.8
269.06772	1.3
269.10223	2.0
296.05621	1.1
301.24951	0.8
303.12292	1.1
311.07736	8.5
328.18051	0.6
377.16064	18.8
413.14496	1.3
581.18707	50.8
582.19128	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	581.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.9
71.01373	2.0
75.07394	1.0
81.94797	1.1
85.59117	1.1
87.04507	1.8
89.76889	1.0
92.27097	1.1
92.38198	1.0
93.03455	4.3
96.95973	1.4
98.22680	2.4
106.89896	0.9
113.02477	1.9
116.92881	1.2
117.03461	2.1
119.05058	5.5
121.02978	7.4
122.03752	18.2
123.04562	1.4
133.02980	1.8
136.01633	2.4
145.02904	1.3
147.04536	3.2
149.02470	24.9
150.03246	100.0
151.00340	3.4
151.03641	2.1
164.04776	3.7
165.05588	93.8
166.05946	1.2
167.03551	1.2
175.04019	17.3
176.04700	1.7
177.05626	2.0
180.04333	7.6
181.04958	1.3
190.06345	7.3
195.06645	47.7
218.05844	7.1
221.06215	1.2
222.05324	5.4
225.05664	1.8
236.59566	1.2
237.05414	1.2
238.06296	2.1
253.05196	1.9
254.05775	2.2
265.04980	1.7
266.05737	3.6
267.02814	1.3
269.04605	24.1
269.07562	2.1
277.05173	1.5
278.05792	5.4
279.06430	2.4
281.04568	2.8
281.08038	1.7
282.05225	2.2
283.06235	2.7
284.03290	1.4
294.05188	2.0
295.09659	1.4
297.07739	1.6
306.05432	5.7
306.08344	1.2
307.06119	4.4
309.03922	2.9
309.07541	2.6
310.04929	2.6
320.06757	1.6
321.07742	16.0
322.08340	4.9
323.09186	7.4
324.06369	4.7
324.09998	3.2
325.07202	14.5
326.07712	2.6
335.09396	2.3
336.09988	8.2
337.07144	13.7
337.10779	2.9
339.08762	9.1
339.12390	1.6
340.09500	10.9
341.10309	2.0
351.08826	1.3
352.09497	4.8
353.09985	1.5
354.10950	7.7
355.11899	29.1
367.11880	45.2
368.12305	2.0
377.15955	7.0
473.12558	2.2
488.15060	1.4
489.15750	2.2
503.17148	21.2
504.17896	1.6
533.18311	24.9
534.18335	1.7
551.19226	18.2
552.20026	1.6
581.12744	9.8
581.20453	22.2
582.21234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26706	0.5
59.01384	100.0
60.01732	0.5
61.98807	0.5
64.89570	0.5
69.62498	0.5
71.01394	1.4
72.91473	0.5
73.02957	0.7
83.91730	0.5
101.02476	0.9
108.92661	0.5
113.02454	0.6
121.02995	1.4
123.04562	0.7
128.90199	1.1
134.86852	0.6
137.02473	0.8
137.29765	0.5
145.03017	1.0
147.04576	1.4
160.01733	0.6
163.04181	0.8
174.26926	0.4
175.04007	1.2
180.03922	0.5
181.05215	0.5
189.05704	0.6
190.02777	0.7
190.06418	1.2
191.07190	1.0
194.95642	0.6
205.05084	0.8
205.08781	1.2
207.06665	0.8
208.07463	2.3
222.08971	0.7
223.06174	1.1
240.04469	0.6
254.06181	0.6
255.10327	0.7
265.07220	0.7
269.08221	8.8
269.10864	0.7
281.08240	0.8
283.09747	3.0
298.12259	0.7
299.09286	6.1
311.09286	8.1
311.12604	0.7
314.11624	13.5
314.15021	0.9
315.12354	0.7
317.21967	0.5
326.11575	8.2
329.13965	54.2
330.14322	1.8
330.17883	0.5
341.13953	32.1
342.14230	0.8
377.16223	1.0
389.16058	7.4
537.48822	0.5
539.22162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
71.43935	20.7
88.85315	18.0
96.95998	32.7
203.69995	19.5
203.91968	17.4
224.75157	16.6
242.07176	16.6
254.25658	20.3
447.54453	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33948	2.1
59.01386	100.0
59.94808	2.2
61.98832	6.9
71.01390	25.3
72.99302	7.3
73.02942	8.0
75.00879	11.3
83.01394	6.9
85.02967	20.4
86.00113	2.5
87.00864	2.5
89.02473	5.4
95.01366	3.0
96.96021	2.6
99.00845	3.4
101.02441	19.7
113.02482	17.2
117.03462	3.3
119.05030	10.7
120.05409	2.8
135.04527	5.6
137.02463	4.2
147.04544	36.8
208.60547	2.4
296.74020	2.5
370.10532	5.8
433.25989	8.6
451.26816	6.7
477.24878	18.2
495.25845	3.7
508.89227	3.1
537.27191	18.7
581.24780	3.8
581.33313	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.1
59.01384	100.0
66.94776	3.7
71.01385	24.0
71.44022	5.5
73.02953	8.5
74.87548	4.0
80.80767	3.4
85.02966	12.6
89.02471	4.5
91.41450	3.6
96.65462	3.4
97.03000	5.4
101.02445	9.4
113.02467	8.5
120.72052	4.1
122.06153	5.2
134.06119	15.9
156.58733	3.9
190.05147	5.5
192.06671	4.6
307.11038	4.9
323.13544	4.4
333.20566	9.4
339.13617	23.4
367.13037	11.3
377.16034	15.7
399.15530	6.3
411.25824	4.3
421.20724	6.7
477.24960	57.9
478.25244	42.4
495.26022	13.2
506.19019	6.4
537.26886	15.4
538.27271	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	581.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27228	3.8
52.67021	4.3
54.34143	4.4
57.03400	4.6
59.01382	100.0
63.11890	4.0
66.22084	4.3
71.01393	39.4
73.02966	10.9
79.75927	4.1
83.01370	10.0
85.02959	20.1
87.04504	26.6
87.95991	4.0
89.02445	7.0
95.01415	6.7
97.02981	5.5
99.00893	8.3
101.02448	30.5
111.01058	4.4
113.02457	22.0
119.05021	12.2
143.03491	5.7
150.03210	12.5
165.05609	9.2
195.06607	6.3
269.04504	12.2
284.28671	4.9
299.16583	10.6
311.81903	4.8
315.19672	7.7
333.20667	8.3
355.08047	9.8
401.20612	4.5
477.24817	29.8
495.25873	39.1
537.27039	16.8
538.27014	5.4
539.27148	14.3
581.27667	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	581.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	88.1
61.98838	10.8
69.48763	15.4
71.01381	9.2
73.02960	5.7
78.95907	7.3
79.95740	5.6
85.03004	6.0
87.00935	5.2
87.04522	53.8
89.02494	5.8
93.03460	6.9
96.96017	20.6
97.02948	7.2
101.02496	10.7
108.02203	6.0
113.02495	7.2
113.06080	31.5
115.04037	20.5
116.92852	8.8
117.03497	10.4
119.05035	47.4
120.05350	7.1
125.02456	14.1
135.04553	11.0
137.39113	5.4
139.04054	6.6
145.19231	5.3
147.04472	6.0
157.04910	6.0
161.09767	5.0
163.07669	26.6
202.06256	8.3
269.04651	6.0
271.13409	21.0
289.14526	100.0
324.05975	6.4
363.18140	17.6
581.23633	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	581.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.0
59.01378	2.9
61.98817	1.4
69.03448	2.1
69.96008	3.0
71.01399	2.2
71.05016	1.4
73.02959	3.1
73.81489	1.0
83.05039	5.6
85.02979	1.4
85.06610	2.4
87.04532	2.5
93.07096	1.1
96.66361	1.0
107.05081	1.4
109.06577	4.3
113.06094	3.8
115.74267	1.2
119.05051	1.8
121.06549	1.1
122.02526	1.8
135.08160	4.4
147.07932	1.3
175.11270	1.6
185.13412	1.5
189.12892	5.2
191.14444	1.9
199.14920	1.3
201.12837	5.7
203.14404	6.8
205.12311	1.4
217.15944	4.7
219.13928	13.1
243.14049	2.7
245.15523	3.0
261.15097	2.2
261.18372	1.2
289.14468	38.8
290.14825	1.3
291.19678	2.3
333.20227	1.3
363.18161	100.0
364.18420	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	581.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01369	9.9
71.41884	2.2
73.02953	4.1
74.18625	2.0
74.97404	1.9
83.01411	2.6
84.59066	2.0
85.02966	8.0
89.04079	1.8
94.30784	1.9
97.02966	5.4
101.02455	6.4
102.71689	2.1
108.02216	2.4
109.02946	7.4
113.02444	5.2
117.03526	3.4
123.04583	2.5
127.10371	1.9
127.36015	1.8
153.01953	12.4
161.04565	4.4
165.05428	2.4
172.15984	1.8
173.91472	1.9
195.06725	2.6
269.04578	21.9
283.05975	5.4
297.06036	4.9
315.19748	2.9
333.20761	13.4
385.12827	2.4
403.60977	2.0
438.55280	2.1
459.23990	4.0
477.25403	11.2
495.25851	5.8
537.26929	7.3
581.12970	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	581.2757
Annotation	Taxuspinanane H
Peak:m/z	Relative Intensity
61.06522	0.9
65.00330	9.5
70.52746	1.7
79.04751	0.9
80.02062	1.0
82.00603	3.6
92.99825	1.4
96.42780	1.0
96.99300	1.5
101.17871	0.8
102.17085	1.0
110.00100	38.8
123.00897	2.5
136.98799	8.4
137.99619	11.8
141.99188	1.1
151.00385	1.4
164.98326	16.6
165.99095	28.7
169.06607	1.9
171.04498	1.2
178.99928	2.6
181.06560	1.1
199.04181	1.0
201.05476	0.9
213.05551	2.9
214.06335	1.3
241.05095	13.4
242.05750	2.6
243.06554	1.0
250.92143	1.0
269.04547	100.0
270.05322	58.2
271.05774	2.8
277.97556	1.0
279.23358	1.0
281.24741	1.1
282.25198	1.3
311.22278	1.7
403.45163	1.1
479.72821	1.1
507.12619	1.2
542.33649	1.1
581.27716	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	581.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	3.3
65.00309	2.8
68.59025	1.0
68.99825	1.3
69.32626	2.7
69.33028	2.0
99.00848	1.3
106.04398	0.9
110.00101	12.4
119.74390	1.4
123.00906	1.4
125.09727	2.6
133.28656	0.9
135.04591	1.1
136.00407	3.6
136.98827	3.7
137.99593	2.5
138.03226	3.3
140.01202	1.2
141.07082	1.0
143.00537	1.1
145.06581	1.7
147.74281	1.0
151.00351	2.1
151.04024	4.7
163.99883	2.6
165.20413	1.1
165.99086	8.5
171.04536	4.3
171.10246	1.2
173.06081	3.6
177.01895	1.0
178.99890	1.3
185.06104	1.7
195.10303	8.3
197.67540	1.2
201.05588	2.7
201.11417	2.7
207.10188	1.5
208.11037	2.0
209.11819	1.2
224.07150	1.2
225.05620	1.9
227.12901	1.3
229.05095	13.6
241.05096	5.5
254.22462	1.1
255.06670	11.8
267.06686	1.4
268.06207	10.1
269.04550	11.9
270.05347	13.0
305.08066	1.1
319.16895	1.0
354.18240	1.1
363.15967	1.6
373.85974	1.0
409.22360	7.9
524.13434	8.5
546.11890	1.4
563.26709	3.8
581.27606	100.0
582.27856	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	581.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36198	0.1
58.33571	0.1
59.01381	0.6
61.98837	100.0
69.05174	0.2
73.34082	0.1
78.95929	0.6
100.21942	0.2
127.27898	0.1
133.42668	0.1
152.99634	0.8
191.18697	0.2
210.30714	0.1
242.08264	0.2
243.06728	0.2
265.21948	0.2
268.06430	0.2
269.04843	0.2
270.07739	0.4
271.05975	0.3
279.23315	3.0
280.23691	2.2
281.23965	1.4
282.24225	0.8
365.32791	0.2
504.31113	0.5
505.31793	0.2
506.32022	0.3
507.31628	0.8
581.17334	0.3
581.28149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54692	0.3
59.01386	0.3
59.59324	0.2
61.98835	100.0
69.22125	1.6
78.95929	0.8
91.22760	0.3
98.21819	0.5
122.59851	0.3
133.89009	0.3
152.99655	0.5
214.10655	0.3
261.44147	0.3
270.07968	0.6
279.23169	1.4
280.23746	0.9
281.24045	0.5
282.24020	0.4
478.11868	0.3
504.31619	0.9
505.32019	0.4
507.32059	1.0
581.16675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55865	1.4
54.75732	1.7
59.01384	100.0
61.98832	4.9
84.44475	1.6
85.00433	3.1
96.96035	8.9
103.01509	74.5
269.04413	2.4
271.06189	1.9
345.94321	1.9
434.34509	2.0
455.35260	17.5
519.34613	2.2
537.35669	6.7
581.35815	65.3
582.36285	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	582.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	7.7
65.00332	6.2
69.54151	8.5
69.54555	6.0
100.88980	2.4
107.01396	7.2
110.00096	2.9
120.95447	2.5
136.00389	25.5
145.06599	3.1
151.00365	10.2
163.99934	24.7
172.05392	3.2
203.26100	3.5
211.07637	5.1
213.05582	10.7
225.05682	3.1
240.06683	3.9
242.08075	3.8
255.06638	100.0
268.06161	66.2
270.07825	3.4
415.40662	2.9
435.85541	2.7
508.10040	2.5
524.13531	89.0
525.14050	3.5
529.32684	3.1
546.11469	9.0
557.74396	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	582.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	4.0
65.99853	3.5
69.94510	1.7
75.43140	1.0
87.67965	1.0
88.80222	0.9
96.00932	1.4
97.02959	0.9
108.00986	1.0
108.02175	1.1
110.02480	3.3
114.37176	1.2
120.00894	1.4
121.02978	1.4
122.02512	2.5
123.03281	4.8
132.04526	1.1
134.02483	5.0
135.00909	3.2
135.03299	5.4
136.00406	10.0
136.98813	2.6
137.02383	1.6
138.01968	2.8
145.06592	1.4
146.02574	2.0
148.04057	1.1
149.99586	1.4
150.01912	1.2
151.02769	5.5
154.03014	1.3
155.02266	1.3
157.06581	1.1
162.01978	1.4
163.00336	2.9
163.99966	5.3
164.01050	1.0
165.00595	1.1
165.01904	2.1
166.01471	1.2
168.04602	1.2
171.03239	0.9
171.04506	4.9
172.04051	1.5
173.06073	1.7
174.01979	4.2
175.99930	2.5
176.01294	1.7
176.03537	1.8
184.41068	0.9
186.01978	1.0
188.03453	1.5
192.03044	3.5
196.03864	1.3
197.06042	1.3
198.01971	3.9
199.02747	1.0
199.07649	1.3
200.03496	1.8
200.07286	1.4
202.01501	2.7
203.02362	1.2
209.06165	1.3
212.03506	1.9
213.05597	2.0
216.03079	2.2
218.01012	2.0
224.07166	2.2
225.05553	1.4
226.08627	2.3
227.07028	1.2
228.06577	1.5
239.07159	2.5
239.74931	0.9
240.03012	2.3
240.06705	2.2
241.05019	1.8
242.00934	2.8
242.08240	44.9
242.95592	1.0
243.08563	1.7
246.00458	1.2
250.08716	1.3
251.07106	1.4
251.20322	1.0
252.06699	3.2
253.05040	1.6
254.05756	1.7
255.06583	3.7
263.05890	2.2
266.00891	1.4
267.06601	8.2
268.02802	2.1
268.06158	26.3
269.08398	10.1
270.07727	100.0
271.08026	3.9
278.08307	4.7
280.06119	6.0
294.00452	1.9
294.07797	5.3
296.05618	4.1
302.08176	1.7
306.07739	1.3
311.05615	3.1
320.09299	4.1
322.07220	10.5
330.07449	1.3
340.11905	1.2
344.09131	4.6
346.06979	2.1
372.08707	3.1
374.06494	1.1
388.08286	2.4
390.06235	2.4
398.06635	4.1
414.06070	1.2
416.07864	11.7
442.05713	25.5
460.06628	5.9
478.11508	1.1
502.13065	5.2
520.14069	51.8
521.14050	4.8
522.11987	31.2
523.12891	6.4
538.14874	1.5
546.11951	16.0
564.13007	67.1
565.13544	5.5
582.16327	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	582.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	4.2
65.99834	3.3
66.41163	2.5
69.05635	6.9
69.06036	10.5
79.99225	2.8
82.02970	2.3
95.01421	3.6
106.03056	2.7
108.49328	2.5
110.02473	5.3
111.00854	3.6
120.00951	3.7
121.02931	4.1
122.02503	2.8
124.04110	2.3
127.05489	3.0
131.05063	12.4
134.02504	7.8
135.03273	6.9
136.00403	7.2
136.98819	3.1
137.02441	7.5
143.05023	4.0
145.06598	6.5
146.02455	2.6
147.04521	4.3
151.02780	5.9
157.06606	4.3
158.02553	3.1
161.06096	27.7
163.99939	4.1
164.03615	2.9
169.06537	4.2
171.04541	9.1
172.05362	4.5
173.06108	6.6
175.02789	4.3
175.99956	5.6
176.03444	5.4
179.03503	12.4
185.06065	4.2
187.07692	4.4
189.05556	3.3
192.03107	4.0
195.08194	3.2
197.06105	5.9
201.05605	11.6
202.01480	4.3
215.02188	3.6
217.11627	2.7
223.07692	3.5
225.05592	18.4
226.08798	5.8
228.06662	3.3
229.05058	100.0
231.06586	3.3
241.05162	13.3
242.08260	41.9
244.68130	2.4
248.96922	2.6
254.05762	2.8
254.08327	6.7
255.06604	3.5
267.06693	55.7
268.06229	13.5
268.09750	3.6
269.08517	3.1
270.07718	83.9
271.08069	3.2
278.08218	4.4
280.06326	13.9
280.09155	3.1
285.04007	5.1
290.08307	12.9
294.07764	4.6
296.05740	9.0
296.09311	20.3
306.07788	26.8
308.09280	21.3
320.09259	3.4
347.07977	5.9
348.08606	15.9
352.08121	14.8
358.10852	4.0
372.12369	10.2
426.13687	20.2
434.08606	3.2
438.13345	5.7
468.14337	6.7
476.14871	7.2
478.12967	4.2
494.16379	4.5
520.13843	11.8
538.15552	12.7
582.14142	75.2
583.14520	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	582.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77423	1.6
60.54308	1.6
64.01917	2.0
65.00337	11.1
65.99857	8.7
69.76550	5.1
69.76897	2.5
83.01373	2.1
95.01395	3.5
98.22679	2.3
100.36173	1.8
108.02174	2.2
108.04583	2.4
109.02979	6.4
110.02500	5.7
115.05545	6.5
120.00925	3.8
122.02518	2.8
123.03265	5.5
124.98805	5.5
125.99600	2.7
127.00426	1.8
127.05547	9.6
131.05043	10.6
133.06607	2.5
134.02528	5.1
135.03287	7.3
136.00432	7.5
136.04056	2.9
136.98845	5.0
137.02469	6.2
138.01982	5.1
141.07159	1.8
143.05054	3.1
145.06601	3.9
147.04520	3.3
149.01218	2.0
151.00365	2.1
151.02722	2.8
151.95314	2.0
153.07092	2.9
153.99060	3.5
154.99921	4.2
157.06616	2.4
161.06091	20.4
163.00386	7.4
163.99931	5.8
164.03569	3.6
165.00664	2.5
169.06610	5.7
171.04532	8.1
173.06096	1.9
175.99907	6.1
179.08662	2.6
180.05737	3.0
181.06613	4.9
183.08138	2.3
185.06084	3.2
189.05638	6.8
191.99355	2.4
192.03029	4.3
195.08167	3.2
197.06155	10.9
199.04007	2.2
199.07605	3.9
201.05647	5.1
213.05614	6.0
218.04604	2.8
223.07750	9.3
224.04980	2.5
224.07133	2.5
225.05609	14.4
225.09193	3.6
226.08682	1.8
227.07124	2.8
229.05072	18.6
239.07193	3.3
240.06804	2.5
241.05122	9.5
242.05704	3.0
242.08231	42.1
251.07138	2.9
252.06615	2.7
255.06645	4.7
257.04514	3.1
264.06686	3.0
267.06644	51.1
268.06219	19.7
268.09680	3.9
270.07733	100.0
271.08310	4.2
280.06146	28.0
281.06564	2.6
282.07761	2.3
285.04138	15.0
290.08340	3.0
296.05655	42.5
296.09290	20.3
304.09720	1.9
306.07626	4.7
308.08978	1.7
311.05630	3.7
324.08777	4.8
333.42819	1.9
334.07291	2.6
336.08719	4.8
348.08801	7.8
352.08307	43.3
376.08368	20.4
378.09839	11.8
390.09775	5.4
392.07559	2.0
396.07263	16.6
400.12222	2.1
434.08774	18.8
467.34909	1.8
476.15262	9.6
494.16101	2.9
508.13934	3.6
520.13995	20.1
523.12750	2.6
538.15466	10.0
545.93848	2.2
564.13110	5.7
576.25055	2.4
582.14465	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	582.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	2.9
65.00333	2.4
65.99860	1.8
69.03464	17.1
69.41135	5.7
93.03477	1.0
94.65501	1.0
95.01382	3.0
106.92673	1.0
108.64879	1.0
109.02939	1.6
110.02501	2.4
111.04527	1.7
113.02456	3.3
120.00946	1.5
121.02890	1.2
122.02483	1.1
123.03295	4.2
134.02444	4.9
135.00905	9.7
135.03278	5.6
136.00427	4.9
136.01335	1.0
137.02426	2.9
138.01971	2.7
138.99400	1.0
139.00403	2.2
141.07101	1.3
151.02800	5.2
155.03558	1.5
157.01442	11.5
157.06607	2.4
157.51520	0.9
163.00424	10.9
163.99889	3.2
164.01155	1.8
165.00648	1.5
165.01976	1.9
166.01454	1.8
171.04543	1.9
176.01213	1.2
177.01958	1.6
184.02509	1.4
185.06107	1.3
192.03079	3.2
197.06137	1.1
199.07678	1.2
200.07108	1.3
209.05997	1.4
213.05630	1.0
220.07562	1.2
223.07767	2.0
224.07111	1.7
225.05550	5.3
226.08713	2.5
227.07201	2.1
228.06793	1.3
239.07108	12.4
241.05176	1.9
242.05786	2.1
242.08243	39.4
252.06676	1.7
253.05147	2.0
254.05826	1.9
265.04974	1.2
267.06628	26.8
267.09393	2.1
268.06396	6.2
269.04526	2.5
269.08176	8.1
270.07727	100.0
270.36642	1.0
271.08060	4.2
278.08167	1.3
280.06180	3.0
283.06055	1.2
293.04446	1.9
294.07657	2.4
296.05637	3.4
306.07828	1.1
311.05667	16.4
313.07159	1.5
330.07312	1.2
380.12979	1.8
398.13953	4.4
416.07635	1.3
431.12335	1.3
432.12674	3.2
494.16104	3.9
520.14227	7.7
522.12061	3.3
536.13458	2.6
538.15161	4.9
540.84009	1.1
546.11969	1.3
564.12970	9.0
582.15881	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	582.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96793	1.3
61.98835	100.0
67.89187	1.2
68.77204	1.4
70.08241	1.2
71.43719	1.3
74.61954	1.3
92.65427	1.4
155.80084	1.3
280.01770	1.3
318.25031	1.4
494.66693	1.4
577.71295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.0887
Annotation	Philonotisflavone-4'''-methyl ether
Peak:m/z	Relative Intensity
59.01369	6.6
61.98834	1.0
65.00322	4.7
65.51579	0.9
66.38662	0.8
66.46445	1.2
71.01377	1.8
73.02975	1.0
74.99075	1.5
79.01814	1.1
82.00606	2.2
87.00883	0.9
87.04546	1.0
93.03476	1.1
95.01456	1.1
96.95995	2.2
98.22699	3.1
107.01360	1.0
108.02202	1.2
110.00108	11.0
111.00903	7.1
113.02444	2.0
119.05030	1.7
123.00883	1.9
136.98802	4.1
137.02441	2.0
137.99617	1.6
139.00381	10.2
140.01161	7.7
151.00356	2.2
152.01149	1.6
155.03500	1.9
164.98320	1.9
165.99092	15.8
166.99852	3.3
167.03503	3.6
168.00597	1.6
171.04501	3.0
173.06111	1.0
181.01399	2.1
183.04521	1.9
191.00044	1.2
197.02390	1.2
197.05969	1.0
199.04025	1.2
214.02832	1.2
217.06491	1.5
225.01784	2.3
227.03485	1.7
241.01491	1.3
241.05048	1.3
242.02235	1.5
253.01410	2.9
254.02229	9.4
255.03012	26.8
256.03607	1.8
267.02985	1.3
268.03665	1.6
269.04443	5.0
269.07117	1.3
270.01733	14.4
270.04590	2.2
270.07681	1.7
271.02429	9.8
271.05566	2.2
276.04355	1.0
281.00885	4.6
282.01700	6.9
283.06049	2.4
298.01196	1.7
304.03668	1.6
334.21130	1.4
352.07944	2.1
366.04163	1.3
376.02252	3.5
393.01871	1.8
404.01880	5.3
404.06485	1.1
422.02832	23.5
437.05231	22.5
479.05887	1.8
568.06335	3.6
582.31903	1.5
583.08832	100.0
584.08826	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	583.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
69.03457	0.6
69.53993	1.2
69.54402	2.3
71.01408	0.6
72.99300	0.7
91.01902	1.4
95.01405	1.4
96.96028	1.1
107.01434	0.7
108.02199	2.2
109.02930	0.9
113.02459	0.7
123.00895	11.2
123.04548	5.9
124.01672	29.5
125.02469	13.8
149.99602	45.1
151.00252	1.8
151.04105	0.7
152.01154	1.8
167.03531	9.7
168.00656	96.0
169.01434	6.6
178.99771	0.7
239.05624	1.6
283.04605	1.0
301.05756	3.3
326.23312	0.7
371.09982	1.0
415.08829	1.9
433.09897	1.4
547.16473	0.9
583.13068	100.0
584.13464	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	583.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15380	0.4
58.62072	0.4
59.01381	1.1
61.98831	0.5
64.36309	0.4
67.22495	0.4
67.86710	0.4
69.03444	0.8
71.01388	1.2
72.99317	0.7
83.01401	0.9
85.51221	0.4
89.02441	0.4
90.19866	0.4
90.37508	0.4
91.01901	2.2
95.01395	2.4
96.96051	1.2
97.02964	0.6
98.88972	0.4
107.01425	1.3
108.02182	2.4
109.02975	0.9
113.02471	0.8
121.02949	0.5
123.00893	13.1
123.04536	6.7
124.01672	32.0
125.02456	15.7
128.13539	0.4
137.02446	0.6
138.03270	0.4
149.02440	0.8
149.99594	46.3
151.00346	2.7
152.01166	3.2
153.01947	0.9
163.03999	0.5
165.01956	0.6
166.99809	0.7
167.03503	9.5
168.00650	95.9
169.01424	6.9
177.50533	0.4
179.03410	0.4
181.05031	0.6
209.04597	0.7
239.05603	1.2
274.05020	0.5
301.05698	3.0
371.09625	0.8
415.08740	1.9
433.09924	1.6
583.13025	100.0
584.13098	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20851	1.9
59.01373	2.7
61.98827	3.0
69.03471	1.9
70.40803	2.8
70.41119	2.3
71.01373	2.5
91.01897	3.7
95.01392	2.4
108.02144	2.8
113.02404	2.0
123.00900	11.9
123.04549	8.2
124.01673	28.5
125.02483	12.8
128.03535	3.4
148.48935	1.8
149.99605	42.5
151.00385	2.7
152.01161	2.6
153.01930	1.8
155.39806	1.7
156.93123	2.0
167.03537	19.4
168.00661	86.2
169.01286	5.4
181.04985	1.7
239.05687	2.7
294.52728	1.7
304.16418	1.8
435.71960	2.0
583.13037	100.0
584.13214	6.3
606.59143	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	583.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23031	3.5
56.28071	2.9
65.00337	9.3
65.99858	7.7
68.99820	3.5
72.87547	3.1
74.58577	3.0
81.03471	6.7
83.01422	3.0
95.01333	4.3
96.00933	11.1
97.02985	4.0
98.11564	2.8
110.02496	9.6
112.04101	3.7
121.01743	3.2
123.03281	4.1
134.02492	7.4
135.03300	3.9
135.04483	3.0
136.00412	3.5
136.98859	4.7
137.02309	4.1
138.01981	4.1
139.00394	4.4
140.03540	5.2
141.07198	3.5
148.04044	6.0
151.02745	4.7
156.08186	5.5
163.99869	4.5
164.98300	4.1
165.00681	9.0
168.30597	3.4
171.04546	11.9
175.99826	5.8
180.08171	5.1
184.02541	71.4
190.01442	6.0
192.03123	4.9
199.04073	3.9
213.05501	5.1
226.08798	8.6
227.07176	4.2
228.06590	4.5
240.06779	5.7
241.05130	4.8
242.08253	31.2
250.08731	5.0
252.06738	5.9
253.05023	3.6
255.06677	10.8
268.06311	17.9
269.04520	9.9
269.07047	8.0
270.05328	4.2
270.07739	100.0
271.05780	5.8
271.08350	7.8
276.06894	3.0
276.10202	3.6
280.06152	8.7
287.48175	3.4
294.07822	7.6
296.09302	8.8
312.08765	4.4
313.06665	3.4
352.08606	4.2
380.13120	5.1
382.10730	4.0
398.13962	93.0
399.14297	3.3
450.21628	3.9
461.09900	9.6
468.14432	16.7
471.86649	3.3
477.14304	6.7
495.15247	6.0
522.15582	13.5
561.10535	4.3
565.15778	15.2
583.17340	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66264	17.1
59.01364	26.2
61.98816	32.2
66.77809	19.2
69.17155	100.0
75.06946	18.2
78.95925	27.7
84.44762	20.9
94.92505	49.7
108.02183	33.6
111.43520	17.9
119.05025	39.2
200.04720	35.3
336.12332	37.7
477.38235	23.5
491.79602	25.6
579.82819	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	583.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02303	1.9
78.95909	100.0
80.96549	2.9
96.96008	2.9
96.96987	4.1
98.95646	2.2
99.92606	12.4
100.93361	18.4
115.92083	26.0
116.92870	28.2
126.69822	2.1
140.35971	2.1
150.98065	3.6
152.99600	33.0
163.89760	2.7
164.90488	6.9
171.00674	5.2
172.95454	8.6
178.88438	6.9
179.89255	28.4
180.90036	25.1
181.90790	6.3
195.00745	2.3
196.89493	42.1
201.21213	2.2
204.89848	2.2
205.90828	8.6
206.91560	5.6
213.61157	1.9
235.91835	7.4
236.92601	22.5
252.92215	4.8
255.23312	6.9
260.62430	2.0
270.93158	3.7
350.66559	2.3
475.15515	8.5
490.40829	1.9
492.16006	8.1
535.17651	4.7
547.17548	5.4
583.19904	99.4
583.29272	5.1
584.20056	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	583.232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27328	17.4
59.01374	74.1
67.89622	15.7
69.17588	100.0
71.76646	16.2
87.23444	15.6
113.06049	15.6
115.04057	76.6
139.04012	51.6
143.26222	17.7
144.21439	16.2
203.30035	15.5
487.23230	24.8
524.38336	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	583.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93098	0.5
55.01879	2.4
57.03437	2.4
58.02981	11.6
59.01387	37.3
70.22222	0.9
70.22533	0.8
71.01391	35.0
72.97546	0.7
72.99326	0.6
73.02952	7.8
73.98319	2.1
74.00720	1.3
74.02483	5.4
83.01400	4.9
84.02161	0.9
85.02964	12.8
85.04078	0.5
87.00883	2.3
89.00121	0.7
89.00681	12.8
89.02456	20.2
93.03455	0.6
95.01391	2.1
96.68402	0.6
97.02977	3.8
97.04076	1.1
99.00896	2.9
99.05653	16.7
100.00414	7.1
101.02455	22.7
111.00901	2.1
113.02466	10.7
113.03610	0.6
115.02247	8.1
119.03526	4.2
122.03794	0.8
125.02463	8.2
125.03530	0.8
129.01944	0.7
129.24446	0.6
131.03528	7.6
134.06139	1.0
143.04640	100.0
149.02469	1.8
149.04550	4.8
150.03239	7.0
158.02831	3.1
159.03003	1.0
161.04587	6.9
164.04808	0.7
165.05568	6.8
175.01811	3.7
177.03423	4.9
179.05611	0.6
191.05670	0.8
195.06673	4.6
221.06685	3.0
228.94366	0.5
233.06044	15.7
259.07629	2.0
289.16623	11.2
293.08795	1.0
304.07391	0.6
315.14120	0.6
339.08606	0.8
339.13513	0.6
340.13864	0.6
343.13788	7.1
357.13306	1.5
361.14880	1.7
369.13431	1.9
412.15762	1.1
421.20831	49.8
422.21329	2.1
430.17175	0.7
448.18201	0.9
451.21957	4.4
487.19171	8.3
488.19464	0.7
505.20105	7.8
523.21283	9.8
524.21643	0.7
535.19788	1.9
545.61707	0.6
583.26196	30.2
584.26746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17649	0.4
55.01876	3.8
57.03463	3.6
58.00603	0.8
59.01387	57.4
69.03470	2.8
71.01389	66.7
71.48308	0.4
72.99315	1.7
73.02952	22.5
75.00887	0.9
80.49188	0.5
81.03460	1.3
83.01395	10.1
85.02962	30.4
87.00374	0.4
87.00882	3.3
89.02455	29.5
95.01405	4.7
97.02966	5.3
98.22689	1.1
99.00890	10.0
99.04555	0.4
99.05657	0.5
101.02453	41.1
102.02816	0.5
107.05032	0.6
109.02995	3.1
110.03328	0.9
111.00917	1.3
113.02465	24.5
115.04038	2.0
117.03498	1.5
119.03529	7.0
121.02998	1.0
122.03748	1.0
123.04565	0.8
124.01689	2.1
125.02477	6.6
125.09692	0.6
127.11314	3.0
129.02010	0.7
131.03543	4.0
133.02962	4.0
134.03769	1.9
135.04538	20.4
143.03552	4.9
143.04623	0.9
149.02472	1.0
149.04584	3.6
150.03275	3.5
151.00482	0.5
152.01030	0.5
153.01935	3.2
154.02338	1.5
155.02374	0.6
159.03011	3.5
161.02499	9.3
161.04561	16.2
165.05556	2.5
166.02771	0.6
167.03525	0.9
179.03552	14.7
179.05576	2.9
180.04015	0.5
191.05659	0.8
195.06705	1.7
220.05678	0.5
233.06650	2.6
268.03934	0.7
269.04562	4.5
270.04825	3.9
271.05139	2.9
283.06247	1.1
284.06384	1.0
285.06830	0.8
289.16592	19.3
293.08844	2.4
297.06418	1.1
298.06598	0.8
299.06586	1.0
341.10312	0.6
343.10748	0.6
371.11255	1.0
387.14874	0.7
403.19629	0.9
421.20847	100.0
422.21381	3.4
433.20804	1.2
451.21933	10.4
535.20105	1.6
541.19489	0.6
583.12762	6.7
583.26508	52.8
584.13794	0.6
584.26813	3.1
609.83600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2611
Annotation	Ebracteatoside B
Peak:m/z	Relative Intensity
55.01873	5.9
57.03460	4.3
59.01384	83.5
60.01721	1.0
61.98851	1.4
64.19023	0.9
69.03444	2.4
71.01386	80.2
72.99318	2.5
73.02946	18.5
74.10142	0.9
81.03461	1.8
83.01398	9.6
85.02955	28.2
86.07024	0.9
87.00871	4.9
89.02451	43.3
95.01398	5.3
96.95995	1.3
97.02950	6.3
98.22731	1.6
99.00892	7.2
101.02449	44.3
102.02787	1.0
108.02173	1.8
108.66682	1.0
110.00089	6.5
111.00876	5.7
113.02453	25.1
117.03428	1.3
119.03526	7.0
119.05041	2.5
125.02456	17.6
129.01918	2.0
131.03506	16.2
137.99631	3.1
141.01961	1.2
143.03494	4.0
149.04559	8.3
152.01164	1.0
153.01941	1.1
159.02994	3.1
161.02420	2.7
161.04541	13.4
165.05550	1.4
165.99060	6.9
167.03510	4.1
179.05623	3.2
181.01404	0.9
182.80948	0.8
191.05594	2.0
201.67426	0.9
214.02824	0.9
215.05579	1.1
215.17126	1.0
221.06738	5.9
233.06615	2.6
271.06427	1.8
284.03244	29.4
285.03589	1.3
289.16580	16.1
293.08798	3.6
299.05606	47.0
300.05911	3.3
341.02896	1.2
341.13892	1.1
401.04904	1.1
415.10754	0.9
421.20819	100.0
422.21133	3.5
425.72113	1.2
435.57367	1.0
451.22009	7.5
503.12076	23.2
504.12439	2.2
583.07861	5.6
583.26099	88.1
584.26520	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	583.2617
Annotation	Ebracteatoside B
Peak:m/z	Relative Intensity
53.53109	0.4
55.01882	4.5
57.03454	3.6
58.00595	0.6
59.01386	52.7
61.98823	0.5
67.01904	0.4
69.03469	2.7
71.01389	67.2
71.04990	0.5
71.43808	0.4
71.76217	0.4
72.01734	0.6
72.99313	1.6
73.02956	22.2
75.00886	1.6
81.03477	1.3
83.01395	9.2
84.02147	0.4
85.02962	29.4
86.03286	0.5
87.00893	3.1
87.04528	0.5
89.02454	30.3
95.01405	4.6
96.96024	0.6
97.02955	5.2
99.00895	7.9
99.04537	0.8
101.02454	42.3
102.02864	0.4
109.02982	1.1
111.00913	1.1
113.02467	23.8
115.04036	2.3
119.03519	8.0
119.04990	0.6
124.01717	1.2
125.02463	6.3
127.03999	0.5
127.11320	2.7
129.01979	1.0
131.03505	3.1
135.04535	1.9
143.03529	4.5
149.04568	4.3
150.03223	0.5
153.01967	1.1
159.03000	3.3
159.04193	0.5
161.02512	0.8
161.04578	16.8
164.43102	0.4
165.05568	0.8
179.03557	0.5
179.05652	3.8
185.11845	0.7
191.05646	0.7
195.06604	0.6
215.78862	0.4
233.06693	2.9
269.04529	1.4
270.04800	1.1
271.05219	0.8
277.84857	0.4
289.16605	18.4
290.17059	0.7
293.08807	2.4
297.06110	0.4
403.19849	0.6
421.20834	100.0
422.21262	4.2
433.20792	1.1
451.21902	10.5
452.22052	0.6
583.13629	1.9
583.26178	61.4
584.26788	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	583.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.4
57.03438	4.2
59.01384	54.9
69.03445	2.3
71.01386	74.5
73.02571	1.6
73.02954	26.2
75.00867	1.9
81.03465	1.1
83.01395	9.1
85.02468	1.9
85.02960	32.0
87.00880	4.2
89.02456	28.5
95.01406	6.7
97.02962	6.1
98.22609	2.6
99.00876	9.8
101.02454	55.2
111.00883	1.6
113.01726	1.6
113.02470	28.2
115.04010	2.4
119.03513	5.2
119.04989	1.2
120.89646	1.0
121.03009	1.0
122.03714	1.7
125.02467	16.0
131.03531	4.6
143.03516	4.4
145.52104	0.9
149.02409	2.1
149.04561	2.9
150.03242	7.2
151.03995	1.7
159.02933	5.8
161.04575	17.8
165.05586	7.2
179.05688	2.5
193.05014	1.1
194.89256	1.0
195.06694	5.1
221.06639	1.3
233.06628	3.1
234.80573	1.0
242.13887	0.9
249.48343	1.0
284.03375	2.5
289.16577	19.8
293.08905	2.1
299.05609	2.1
357.13525	2.7
369.13416	1.3
403.19672	2.0
421.20819	78.7
422.21124	3.4
451.21863	28.1
452.21707	1.3
535.20007	4.1
583.26141	100.0
584.26508	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	583.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46335	31.3
58.61279	27.7
61.98828	100.0
63.91317	29.1
66.80679	30.5
68.29738	32.2
69.67146	64.2
69.67532	82.0
71.52581	30.5
83.12708	35.0
96.96009	39.0
98.21894	33.7
160.18810	29.2
180.52818	34.6
214.77095	31.7
219.02637	28.4
252.58203	39.7
299.40100	34.4
312.69110	37.5
427.44403	33.3
491.59299	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81479	9.4
54.92900	9.1
59.01387	12.2
71.01409	7.9
76.41145	9.6
96.96031	71.5
113.02483	11.3
119.04990	11.6
129.37106	9.5
265.14828	100.0
417.62061	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	583.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03429	2.0
59.01082	3.8
59.01384	75.7
61.98835	4.6
66.13956	1.7
69.09554	3.6
69.09953	8.9
71.01392	23.8
73.02962	11.3
78.65301	1.6
83.01398	5.1
84.95126	7.7
85.00453	3.5
85.02956	16.5
89.02438	3.4
95.01373	5.5
96.96030	7.8
99.00913	2.2
101.02459	22.0
113.02444	11.1
117.03458	3.2
119.05059	13.3
120.05342	3.9
145.02945	2.5
150.03183	1.8
150.07570	1.7
161.04565	6.0
167.03481	1.8
172.44298	1.8
205.46033	1.9
265.31265	1.8
382.05301	1.7
419.25330	1.7
428.35275	1.7
453.28604	4.5
463.20612	3.2
497.27643	5.2
539.28632	100.0
540.29071	6.8
583.26300	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	583.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01386	100.0
61.93640	1.0
69.66833	3.3
71.01394	15.2
73.02953	9.4
82.18820	1.3
83.01407	2.9
85.02998	6.8
89.02477	3.7
95.01400	1.3
96.66290	1.0
96.96012	1.3
99.00889	1.5
101.02462	10.0
113.02464	5.1
116.92858	1.3
119.03515	2.2
119.05004	1.7
123.56844	1.0
135.04564	1.4
159.02986	1.3
161.04549	4.9
203.05629	3.1
269.04465	2.0
291.23285	6.6
335.22269	9.3
434.62802	1.2
453.28641	1.3
466.42715	1.5
477.99826	1.3
539.28754	11.4
565.22583	1.2
583.14337	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	583.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.91209	0.8
78.95916	0.6
88.98821	0.3
99.89715	0.3
100.05251	0.3
136.92929	0.3
152.99597	0.7
200.89012	0.4
267.23291	0.4
280.87399	0.3
281.24847	2.8
282.25269	0.8
283.25394	0.3
506.32715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89238	24.2
61.98816	60.7
66.75259	25.8
70.91695	28.3
78.95901	86.3
82.96094	37.3
117.05595	100.0
145.55339	28.4
153.81944	27.1
225.72050	26.5
309.71490	34.4
325.18347	43.3
482.34943	32.0
583.18549	36.1
583.28571	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.0
65.00314	4.0
65.99852	13.7
66.79504	2.3
67.01859	3.1
67.12659	2.1
69.03466	2.9
69.05486	2.7
71.02185	2.6
95.01402	12.0
96.00929	3.2
107.01373	2.9
110.02480	3.6
111.00853	8.3
117.03455	2.7
119.05009	7.8
120.00906	2.4
121.01692	3.5
121.02907	6.1
122.02527	3.5
123.00896	20.9
123.03247	6.6
125.02428	2.9
127.73363	2.4
133.02940	3.8
134.02473	6.1
134.03670	2.6
135.00830	2.8
135.03246	5.5
135.04333	3.5
136.00417	6.6
136.98874	4.4
138.01979	4.0
139.00352	3.4
141.01988	3.7
145.02896	5.5
147.04507	5.1
150.02007	5.4
151.00374	66.3
151.02710	7.3
152.01151	3.9
153.01913	4.9
161.02440	13.2
162.01917	4.1
163.99873	11.0
165.00653	10.5
166.01483	17.6
167.04892	2.9
169.06537	2.9
171.04501	12.5
175.99911	5.9
177.01976	3.5
186.01910	3.2
187.04068	3.3
192.02982	9.4
197.06010	4.0
204.02893	3.1
209.05978	3.3
211.03983	2.8
213.05530	4.0
215.03537	3.4
225.05519	4.2
226.08717	6.0
239.03537	2.7
240.06723	3.2
241.05098	6.1
242.08249	51.9
243.06512	4.2
252.06660	3.1
267.02948	3.2
268.06168	23.2
268.08826	3.7
269.04456	11.9
269.07028	9.6
270.07727	100.0
271.05875	12.3
278.08231	10.7
280.06122	17.3
285.04108	19.6
294.07626	3.9
295.02444	11.1
296.05710	8.4
296.09277	8.5
303.05069	2.8
304.12744	2.6
313.03439	11.3
322.07053	6.7
350.06482	9.7
350.10272	5.2
362.06549	4.4
378.09650	3.2
386.06934	4.0
403.06613	3.4
404.07971	17.6
421.08087	52.0
422.08728	21.2
443.05826	2.7
446.08829	6.1
447.83713	3.0
503.27856	2.7
508.10278	10.0
540.17188	19.3
552.09076	22.0
566.10364	5.6
584.11926	91.0
585.12305	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	584.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	3.4
65.00326	10.2
65.99856	9.2
66.82467	2.7
68.99802	7.7
69.86816	9.2
77.71220	2.6
81.03450	3.9
83.01398	4.9
95.01394	19.0
96.99301	3.5
97.94453	2.7
99.00932	3.0
101.45361	3.0
107.01389	5.8
108.00935	3.7
109.02991	5.2
110.02442	3.2
111.00875	7.2
112.00386	3.3
117.03481	5.7
119.05028	10.3
120.04503	2.8
122.02436	3.1
123.00895	28.1
124.01695	4.2
124.04095	3.4
125.02445	3.7
130.02997	3.1
134.02513	4.0
135.03325	7.3
135.04492	6.8
136.00406	7.6
136.03970	3.0
136.98767	5.5
139.00375	8.1
141.01978	5.6
143.05017	3.7
145.02924	8.9
147.04520	7.2
148.03996	5.1
149.02434	6.2
150.01961	9.4
151.00381	100.0
151.02824	3.5
161.02393	22.3
162.01996	3.8
163.99960	7.9
164.03610	5.0
164.98329	4.5
165.00648	15.8
166.01418	20.0
169.06624	5.2
171.04543	18.9
173.02460	5.4
174.01968	8.3
175.99910	8.2
176.03485	3.3
181.06546	3.3
183.04410	3.4
185.06042	5.6
187.04066	3.7
190.01350	3.4
191.03627	3.9
192.03061	7.2
197.06181	4.9
200.03575	4.3
213.05605	4.9
215.03542	9.2
218.04575	3.4
224.07280	2.7
225.05603	5.1
226.08629	3.6
228.06499	4.2
236.07256	3.6
239.03554	4.2
240.06644	6.4
241.05080	10.5
242.08168	42.6
243.03030	9.4
246.60512	3.7
248.01869	3.9
253.05008	5.3
255.06523	7.3
257.04587	3.0
257.16489	3.0
258.00436	4.0
258.07767	7.3
259.02374	3.9
267.03015	5.1
268.06177	24.3
268.09766	6.0
269.04507	25.3
269.07050	10.6
270.04819	11.9
270.07703	78.8
271.06061	9.0
272.06430	5.4
278.08252	26.3
280.06143	20.6
282.07782	3.0
285.04056	42.4
287.01849	3.4
295.02307	4.7
296.05685	14.1
296.09238	22.1
298.07367	4.4
313.03574	20.3
315.05563	3.9
322.07092	7.9
332.09341	3.7
348.08817	3.2
350.06644	23.3
350.10464	5.8
352.08301	7.7
362.06570	4.6
364.08435	3.8
376.08255	3.9
386.06641	5.8
390.06036	4.7
404.08078	18.8
421.08047	87.8
422.08789	36.0
508.10562	13.5
512.12885	4.4
540.13055	11.0
548.10712	3.1
552.08868	20.7
566.10913	4.0
584.11890	59.9
585.11713	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	584.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83772	2.7
57.66891	2.3
61.98828	11.1
63.49411	2.4
64.01914	3.2
65.99845	16.5
67.89749	2.5
68.99833	3.5
69.70110	9.7
69.70466	2.7
70.57977	2.2
75.14344	2.1
82.08536	2.2
85.02970	6.1
95.01379	8.1
98.00147	2.5
102.48959	2.6
106.03023	3.1
106.30926	2.3
109.01712	2.6
111.00888	4.1
113.02426	5.2
115.05572	2.9
123.00894	7.2
123.03224	3.8
125.02435	4.4
131.04984	3.0
134.02525	4.5
134.97087	2.4
135.00934	5.5
135.03255	8.1
136.00409	6.6
136.98842	2.4
138.01985	4.6
139.00377	7.1
140.01180	2.5
141.07051	4.6
145.06639	2.4
145.82196	2.4
146.02538	2.7
148.04102	2.4
149.02475	2.5
150.02008	6.8
151.00383	27.7
151.02722	4.9
154.17215	2.6
158.02403	2.7
162.01891	2.5
163.99902	5.1
164.03535	4.9
165.00667	9.2
165.07137	3.4
166.01485	10.5
171.04538	6.9
174.01988	5.0
175.99899	14.2
185.06093	3.5
191.02321	2.9
192.03139	3.1
200.03560	3.8
209.06134	5.0
224.07196	3.7
226.08655	3.6
227.02252	3.5
227.07083	5.5
229.05067	4.4
236.07253	4.8
237.05539	7.3
238.05121	4.2
242.08241	34.8
243.01611	4.6
253.05028	9.2
254.05858	3.6
255.06618	3.6
268.06116	14.6
268.09842	5.8
269.06943	8.2
270.04816	3.3
270.07730	100.0
271.08237	3.2
278.08130	13.8
280.06207	24.8
281.04565	37.5
296.05917	4.5
296.09271	31.1
313.07211	9.1
322.07272	4.0
338.12491	2.6
339.17590	3.1
348.08755	10.3
350.06512	6.4
364.08392	3.8
366.09909	7.3
375.07410	3.8
382.95685	2.9
386.06619	4.0
392.07642	7.5
403.06839	8.5
404.07764	10.1
420.07260	12.3
421.08075	53.7
422.08356	3.4
435.09995	3.3
436.10596	4.3
446.08865	10.1
508.13751	5.2
534.11884	19.1
536.85400	2.3
552.13086	24.6
566.14862	4.0
584.15741	47.3
585.15759	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	584.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89283	0.6
59.01388	9.0
60.01715	1.3
61.01817	0.6
61.98836	100.0
63.22160	0.6
69.47318	3.3
82.93248	0.6
89.01511	0.7
100.24540	0.6
101.45221	0.6
134.03798	1.9
145.03171	0.6
161.02556	0.8
167.46196	0.7
178.02737	1.0
193.05046	3.3
329.13928	1.3
330.14346	1.8
331.14493	1.4
332.14969	1.3
344.14597	0.9
357.22418	0.6
397.35376	0.7
400.50800	0.7
423.01788	0.7
431.69180	0.7
545.66772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38310	0.3
61.98834	100.0
69.19404	1.4
69.19803	0.8
71.78488	0.3
87.04504	0.4
93.03471	1.8
115.04044	0.9
135.04533	0.4
137.02472	2.4
137.99969	0.5
178.83145	0.3
277.57547	0.4
330.31653	0.4
413.50986	0.4
440.88150	0.4
461.21933	0.6
513.84290	0.5
532.34998	0.4
585.23492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26185	0.3
54.59695	0.3
61.98836	100.0
69.13055	2.6
72.40463	0.4
87.04521	3.1
94.18821	0.4
98.22630	1.0
101.06055	0.4
115.04015	5.1
115.04656	0.4
119.50893	0.4
142.16466	0.4
160.11185	0.4
204.00323	0.4
213.09999	0.4
225.66556	0.4
289.14450	1.9
298.67078	0.4
438.33374	0.4
461.21887	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
65.31194	0.6
70.93802	0.6
98.21863	0.9
115.04048	1.3
139.53818	0.6
259.84827	0.5
277.95361	0.6
297.47455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83043	0.5
59.01370	0.9
59.45685	0.5
61.98836	100.0
89.31991	0.5
90.04263	0.4
109.02948	0.8
114.19285	0.5
117.03516	1.7
119.05065	1.1
119.46239	0.4
122.02486	1.8
124.62353	0.4
133.03017	1.4
135.04559	1.0
143.12828	0.5
161.02589	0.5
181.17149	0.5
198.35297	0.5
225.27003	0.5
225.29388	0.5
503.18158	0.5
540.22003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17145	0.7
56.83931	0.8
61.98837	100.0
69.05472	3.9
69.05874	1.4
80.94638	0.7
98.21884	1.3
115.04040	1.1
117.03490	1.3
222.95798	0.8
306.93448	0.9
473.23608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38161	0.5
61.98833	100.0
69.68825	0.7
69.69174	1.5
83.59017	0.5
89.19363	0.6
119.05054	0.9
135.04564	0.8
140.30392	0.5
153.49194	0.5
170.10887	0.5
171.10510	0.6
220.77859	0.5
263.86124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10906	1.0
57.03434	1.9
59.01395	5.3
61.98829	1.2
65.00334	5.9
68.99823	1.8
71.40116	1.3
71.40499	1.1
73.02975	1.6
81.03459	1.8
82.00578	1.1
83.01376	7.4
85.02962	1.2
87.04515	15.3
93.03473	1.2
95.01411	1.8
99.00928	1.5
110.00092	2.9
111.00886	5.6
113.02479	1.9
117.03475	1.3
117.63348	1.0
119.05054	2.3
121.02953	1.4
123.00903	2.1
123.04564	2.0
124.01668	1.8
125.02445	3.7
136.98817	5.4
137.02437	3.9
138.03233	2.1
139.00386	6.4
140.01151	6.6
141.01915	1.6
143.05020	1.3
145.02968	1.5
150.01918	1.2
151.00375	1.6
152.01109	1.4
153.01939	13.3
153.05562	5.0
154.02721	1.8
155.03516	30.6
156.31886	1.1
159.04585	1.4
161.02399	1.1
164.98320	3.7
165.99052	3.1
167.04744	1.4
171.04510	3.9
172.05074	1.1
173.02454	1.2
173.06052	3.4
175.03886	1.5
176.03677	1.1
181.01450	14.8
182.02234	38.0
183.04620	1.9
185.02527	2.5
185.06036	1.5
187.03983	1.7
192.00658	3.8
197.04561	74.6
198.03259	1.4
198.04855	1.5
199.03969	2.1
201.05548	2.7
207.03014	5.1
211.04028	8.4
213.01903	2.7
213.05573	2.1
214.02768	2.3
227.03503	3.0
229.05017	3.4
235.13481	2.7
239.03458	6.2
241.05058	3.0
242.02132	7.4
243.03001	11.2
243.06601	1.7
253.01411	2.7
256.03867	1.4
257.04553	34.0
258.04745	1.4
259.07504	1.2
261.11237	4.4
269.04465	10.2
270.04849	1.7
271.06189	5.4
283.02399	1.4
287.07159	2.0
298.06625	1.3
301.03503	2.5
307.23151	1.3
311.07062	1.3
315.06931	1.6
328.07663	1.3
340.07458	1.1
341.03094	1.7
341.08072	1.1
343.06015	2.7
343.09930	1.5
353.08371	1.2
357.07828	1.3
368.06870	2.6
377.06631	19.8
378.06744	1.3
385.07187	100.0
386.07608	5.5
387.05148	31.6
388.05249	1.3
389.06784	8.0
403.08228	12.3
429.06287	7.1
430.06451	1.3
523.14130	8.5
541.15094	4.8
552.06934	2.5
585.10022	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	585.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86468	0.8
57.03443	1.3
59.01392	6.5
65.00321	4.9
68.99841	1.3
69.35803	3.9
71.01383	3.4
73.02954	1.2
77.09364	0.9
82.00636	0.9
83.01395	8.1
85.02959	2.3
87.04520	14.5
89.02453	1.7
95.01393	1.3
97.03007	1.0
101.02460	2.4
110.00089	2.0
111.00911	3.8
113.02441	2.9
113.83718	0.9
119.05037	1.8
122.00166	1.3
125.02469	3.5
135.04509	0.9
136.98798	2.0
137.02481	3.9
138.03279	1.0
139.00372	1.4
140.01114	6.2
145.02988	1.9
147.04407	1.0
150.01996	1.3
152.00964	1.0
153.01955	16.2
153.05618	5.9
155.03529	29.0
157.01094	0.9
157.02974	1.1
159.04454	2.1
161.02429	0.9
161.04582	1.5
163.00375	1.4
164.98260	0.8
165.99117	4.3
169.02982	1.3
171.04575	3.2
173.06009	2.0
175.04021	1.2
180.00696	0.9
181.01422	12.7
182.00598	1.9
182.02234	38.2
182.03497	1.4
183.04646	1.3
185.02463	2.9
185.06134	2.2
192.00658	2.8
197.04561	71.9
198.03270	1.2
199.04170	1.0
201.05652	0.9
207.03012	5.8
210.03273	1.1
211.03972	8.4
213.01921	2.1
213.05640	1.7
214.02637	2.2
227.03554	1.4
229.05127	2.3
239.03531	4.4
240.04210	1.2
241.05116	1.2
242.02205	5.7
242.08287	1.3
243.03006	10.6
245.08298	1.3
253.01379	2.5
255.02989	1.3
256.04001	1.2
257.04599	31.2
257.07364	1.6
258.04794	1.3
263.03470	1.5
269.04556	3.2
270.07764	3.5
279.03183	1.1
280.03766	1.6
283.02515	1.7
287.07275	1.5
299.07153	1.3
309.07663	0.9
315.06638	1.7
315.84714	1.0
329.07922	1.1
340.07822	1.9
343.06100	2.9
350.63397	1.0
357.07516	1.1
359.05759	1.5
360.82355	1.0
368.07129	1.9
377.06708	19.1
378.06616	2.6
381.23099	1.2
385.07205	100.0
386.07620	6.0
387.05081	28.8
388.05267	1.8
389.06625	7.5
397.22220	1.2
403.08252	11.9
429.06104	6.7
455.80994	1.2
479.12213	1.5
525.26825	1.3
541.26447	2.6
543.27930	4.3
585.09827	9.4
585.29279	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	585.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.5
59.01375	5.7
65.00329	4.4
66.30762	1.4
66.99392	1.1
68.99814	2.9
71.01386	2.3
79.01899	3.9
80.59624	1.5
81.03458	2.7
83.01395	2.3
85.02957	2.5
85.10210	1.4
95.01398	4.6
96.95995	2.6
96.96987	2.7
99.00898	4.0
108.02189	1.7
109.02931	2.0
110.02513	1.9
111.00891	20.8
112.26107	1.4
113.02445	2.3
122.03776	1.4
123.00909	8.6
124.01638	2.5
125.02439	5.6
131.04961	2.5
133.02986	4.0
135.04524	8.8
136.98831	4.6
138.01974	1.9
139.00404	18.1
141.01945	13.9
142.13263	1.2
143.05130	1.5
149.02428	2.6
150.01927	2.7
151.00386	8.5
152.01135	3.0
153.01944	9.7
159.04550	2.4
161.02467	3.8
164.98257	3.4
165.01959	2.4
165.99060	2.3
166.99869	6.3
167.03491	2.3
167.04974	1.2
169.06636	2.9
171.04546	7.0
173.02415	1.5
173.06075	3.4
175.04051	2.0
177.01868	1.8
178.99854	3.2
183.04518	1.8
187.04039	3.0
197.06160	4.7
198.03297	1.4
201.01973	2.6
201.05547	3.1
206.17197	1.5
211.03983	2.6
213.01965	1.8
213.05600	3.2
222.43452	1.4
223.04082	1.9
225.05559	3.4
229.05043	11.5
229.08731	1.8
239.03485	2.6
241.05000	7.0
243.06590	16.2
248.02071	2.7
249.02258	2.0
253.04971	2.2
255.02945	1.9
255.06615	5.0
257.04547	2.7
259.02411	1.9
269.04587	18.8
270.05066	1.8
270.07785	1.9
271.06158	29.3
278.08228	2.2
283.02859	2.3
283.06116	9.0
285.04071	5.7
301.03549	100.0
302.03830	3.2
303.05179	10.6
313.03561	66.7
314.03854	2.2
315.04996	7.4
341.02896	2.5
352.08282	3.8
353.08530	4.5
355.04379	4.2
381.02881	3.5
397.99545	2.1
409.11096	1.7
491.45715	1.7
542.10907	1.8
552.07336	1.9
567.08832	1.9
585.09998	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.5
59.01375	5.7
65.00329	4.4
66.30762	1.4
66.99392	1.1
68.99814	2.9
71.01386	2.3
79.01899	3.9
80.59624	1.5
81.03458	2.7
83.01395	2.3
85.02957	2.5
85.10210	1.4
95.01398	4.6
96.95995	2.6
96.96987	2.7
99.00898	4.0
108.02189	1.7
109.02931	2.0
110.02513	1.9
111.00891	20.8
112.26107	1.4
113.02445	2.3
122.03776	1.4
123.00909	8.6
124.01638	2.5
125.02439	5.6
131.04961	2.5
133.02986	4.0
135.04524	8.8
136.98831	4.6
138.01974	1.9
139.00404	18.1
141.01945	13.9
142.13263	1.2
143.05130	1.5
149.02428	2.6
150.01927	2.7
151.00386	8.5
152.01135	3.0
153.01944	9.7
159.04550	2.4
161.02467	3.8
164.98257	3.4
165.01959	2.4
165.99060	2.3
166.99869	6.3
167.03491	2.3
167.04974	1.2
169.06636	2.9
171.04546	7.0
173.02415	1.5
173.06075	3.4
175.04051	2.0
177.01868	1.8
178.99854	3.2
183.04518	1.8
187.04039	3.0
197.06160	4.7
198.03297	1.4
201.01973	2.6
201.05547	3.1
206.17197	1.5
211.03983	2.6
213.01965	1.8
213.05600	3.2
222.43452	1.4
223.04082	1.9
225.05559	3.4
229.05043	11.5
229.08731	1.8
239.03485	2.6
241.05000	7.0
243.06590	16.2
248.02071	2.7
249.02258	2.0
253.04971	2.2
255.02945	1.9
255.06615	5.0
257.04547	2.7
259.02411	1.9
269.04587	18.8
270.05066	1.8
270.07785	1.9
271.06158	29.3
278.08228	2.2
283.02859	2.3
283.06116	9.0
285.04071	5.7
301.03549	100.0
302.03830	3.2
303.05179	10.6
313.03561	66.7
314.03854	2.2
315.04996	7.4
341.02896	2.5
352.08282	3.8
353.08530	4.5
355.04379	4.2
381.02881	3.5
397.99545	2.1
409.11096	1.7
491.45715	1.7
542.10907	1.8
552.07336	1.9
567.08832	1.9
585.09998	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01917	0.2
57.03469	0.4
59.01388	7.0
61.98841	0.5
68.12408	0.2
71.01389	1.8
72.99326	0.4
73.02961	1.5
82.95438	0.4
83.01406	0.7
85.02977	1.2
87.00868	0.2
89.02451	0.3
89.03964	1.7
93.03467	0.3
97.02928	0.3
99.00887	0.7
101.02464	1.9
111.00886	0.5
113.02472	1.2
116.92898	0.3
117.03479	4.9
119.05067	0.8
131.17749	0.2
132.02179	2.8
132.57681	0.3
133.02997	0.4
134.03758	75.6
135.04208	1.0
136.98703	0.3
139.00362	0.3
149.02522	0.3
149.04892	0.4
149.06100	6.7
153.01936	1.3
160.01675	9.9
161.02472	0.6
161.04576	0.8
165.05557	0.3
175.04031	13.1
176.04219	0.3
178.02725	1.0
181.01414	1.2
189.94440	0.2
193.05078	100.0
194.05418	2.5
213.69435	0.2
235.11887	1.9
300.02759	0.3
349.14771	1.2
351.56094	0.2
365.88577	0.3
367.16299	0.6
401.06711	0.4
409.17105	1.4
412.03598	0.2
423.16608	0.3
505.40628	0.2
572.42932	0.3
585.06366	0.4
585.22504	2.2
587.58038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00858	27.6
60.23516	25.8
66.05281	28.2
69.66941	100.0
98.22601	35.2
174.98259	33.7
462.56021	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	585.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01912	1.6
59.01385	100.0
61.98839	33.8
65.00315	1.8
69.03445	1.5
71.01385	18.7
71.43867	1.9
73.02942	12.9
76.80107	1.6
78.95943	1.7
79.18742	1.6
81.03510	1.8
83.01393	6.3
85.02969	5.2
87.00880	1.8
89.02480	2.5
93.03458	3.4
95.01410	2.3
96.96019	2.4
97.97089	1.5
99.00893	1.9
99.92581	2.3
101.02479	13.3
112.01672	2.3
113.02454	6.6
115.92126	2.3
116.92883	9.9
117.03503	8.0
119.05039	11.7
125.02477	2.3
133.02954	3.5
135.04536	7.4
139.00409	2.5
143.03592	2.2
151.00356	2.1
153.01913	7.8
161.02457	1.9
161.04572	6.7
181.01472	6.2
227.03612	2.2
243.02815	1.7
243.13925	1.6
255.03026	4.1
257.04602	2.0
281.04492	2.3
284.03360	2.3
285.04022	2.8
303.16162	2.1
325.03452	13.7
337.23932	26.7
381.09644	4.9
403.04486	2.4
407.03979	2.3
439.06549	2.7
449.14557	7.0
481.28171	13.2
499.29340	16.0
541.21930	2.6
541.29999	11.3
585.10254	13.1
585.19257	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	586.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92041	1.5
59.01380	8.5
83.05023	1.3
92.02000	1.2
98.21821	3.2
112.18401	1.3
116.97269	8.6
119.05022	1.6
122.02499	100.0
135.04591	2.3
136.04088	4.1
150.05659	1.9
153.02112	1.2
179.98383	7.7
210.71939	1.5
217.16026	1.6
238.84915	1.3
289.14471	5.0
345.17099	2.8
359.53146	1.3
468.20331	37.2
490.18665	3.5
526.16144	9.5
528.22571	9.2
586.18359	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	586.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48295	33.0
59.01385	60.4
61.98830	100.0
71.01382	55.3
80.77135	34.5
80.91744	49.4
96.96017	36.4
96.99603	35.5
102.97330	29.9
118.75298	37.9
119.05140	34.0
135.04509	36.8
139.74373	34.2
155.91928	35.0
172.17680	34.5
197.17798	34.4
249.21448	31.3
375.61426	32.9
480.70676	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17532	37.5
53.34211	35.5
61.98809	36.5
63.57539	38.3
72.16975	36.5
86.16431	38.8
105.75650	47.5
115.04049	51.2
121.03010	75.8
122.02476	100.0
135.04575	64.2
161.50546	44.6
181.86989	37.3
205.61848	38.1
265.14783	87.6
277.21594	58.3
298.15704	43.2
328.35645	39.4
357.06186	43.9
548.34412	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73384	13.4
65.77483	12.3
69.08611	100.0
69.41533	13.0
76.89873	14.8
96.96019	52.3
122.05287	14.2
136.54900	14.3
183.01231	19.5
225.98936	15.3
265.14758	36.5
266.15115	24.4
298.15540	16.8
480.77869	15.5
540.89148	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	586.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	99.6
61.98837	100.0
63.99249	2.8
64.80976	1.0
69.13367	6.2
69.13770	1.9
83.21367	1.1
98.21944	2.4
117.03497	2.9
119.05042	3.8
122.02505	14.5
128.50464	1.2
133.02971	1.6
135.04492	6.6
141.41687	1.2
150.68007	1.3
180.85114	1.2
192.39586	1.1
466.18716	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	586.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37525	0.5
57.03496	0.5
57.47408	0.4
57.55379	0.5
59.01385	6.7
61.98827	0.6
65.00317	0.7
69.31104	1.7
69.31506	0.9
71.01369	0.7
78.03492	1.8
97.02966	0.7
97.75786	0.5
98.22660	1.1
107.01382	0.7
117.03449	0.6
119.05046	1.6
122.02494	100.0
123.02847	1.6
135.04546	0.9
149.20892	0.5
151.00375	1.2
155.03706	0.6
256.81213	0.5
287.05624	1.1
310.00629	0.5
325.03580	2.9
326.03891	2.9
379.17529	3.2
382.33295	0.8
419.07169	0.6
440.06750	0.7
463.19531	0.9
571.08392	1.2
586.10925	6.1
586.50647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
61.48632	0.3
62.60880	0.2
69.62688	1.0
78.03490	2.9
97.02968	0.4
98.21878	0.3
113.35966	0.3
115.62830	0.3
122.02493	100.0
123.02866	1.5
135.04509	0.4
278.15875	0.3
335.15051	0.8
356.27194	0.3
364.53058	0.3
379.17578	2.6
533.65070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08711	0.3
54.43213	0.3
59.01380	1.5
61.98837	100.0
70.08315	1.0
70.16714	0.3
71.01369	0.4
77.37307	0.3
94.28245	0.3
117.03501	0.5
119.05073	1.0
135.04518	1.9
161.02496	0.4
161.04616	0.4
175.04198	0.4
200.04677	0.3
243.41187	0.4
262.30130	0.3
586.23932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67076	3.4
52.56174	4.0
59.39058	4.8
60.12095	3.7
78.95930	4.0
79.21465	4.1
115.04022	100.0
207.36737	3.9
409.65128	3.7
543.25781	4.3
602.27802	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	586.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
59.01387	7.5
61.98829	3.4
69.18873	1.8
69.19275	4.5
71.01402	1.7
71.05024	2.0
80.05076	3.3
82.02990	12.4
83.01402	3.3
83.05038	5.1
86.02482	2.2
93.03490	1.5
96.04566	3.3
98.02484	27.9
98.06134	3.0
98.21883	2.2
99.00903	1.6
108.04573	17.6
109.03008	1.2
111.00845	1.0
111.28320	1.1
116.92857	1.7
117.03498	4.5
119.05026	4.2
122.02490	4.1
124.04043	11.2
126.05643	11.2
127.00430	1.2
133.03009	2.6
135.04581	5.1
142.03349	5.7
142.05141	3.0
152.03546	25.9
153.01984	1.2
161.02473	1.6
168.03020	12.2
170.04611	8.7
174.29765	0.9
196.02527	100.0
197.02834	1.3
214.03600	8.7
246.26015	0.9
255.03075	1.0
257.04758	1.0
337.23813	3.3
371.22672	12.0
372.23044	1.7
475.02164	1.0
524.26923	1.8
568.25928	16.9
577.22339	1.6
586.27130	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	586.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.0
61.98831	4.5
65.00336	1.5
71.01398	3.6
71.05023	3.1
80.05070	3.9
82.02985	10.9
83.01417	4.0
83.05039	4.3
85.02966	1.2
86.02483	1.8
89.02456	1.3
90.04910	1.0
91.01929	1.5
93.03458	1.2
95.01465	1.4
96.04565	4.0
96.95997	1.8
98.02484	33.1
98.06123	4.4
99.00898	1.9
101.02441	1.8
108.04565	20.2
109.03001	1.9
111.00966	1.7
111.82568	1.3
113.02481	2.5
117.03486	4.7
119.05060	5.8
122.02508	8.7
123.04516	6.2
124.04054	11.5
124.04867	2.1
126.05647	10.4
127.00371	1.5
133.02977	3.7
134.03758	5.5
135.04570	7.2
142.03354	3.7
142.05128	2.6
147.04584	1.5
152.03552	27.4
152.04723	2.3
153.01927	1.6
160.01707	1.1
161.02390	1.9
167.03505	20.1
168.03056	10.0
170.04601	8.5
182.02211	1.5
193.05118	6.0
194.05409	2.8
196.02527	100.0
197.02864	1.5
209.59587	1.5
214.03604	11.4
261.72006	1.3
300.69107	1.2
337.23880	4.3
371.22638	14.3
409.39917	1.3
480.27896	1.5
524.26990	1.4
568.25916	17.3
577.21698	1.5
586.27399	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	586.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	8.2
61.98835	3.7
69.26887	5.9
69.27291	3.2
71.01375	1.8
73.04079	6.5
76.16785	1.4
82.06658	1.6
84.04584	3.7
85.02966	2.3
87.05636	9.8
97.04088	2.1
98.02505	3.1
98.21828	1.5
102.05622	34.6
102.06272	2.7
113.02473	1.6
115.05149	16.4
119.05039	1.7
121.79902	1.4
125.07175	1.7
126.06741	13.0
126.77382	1.6
128.03558	95.9
129.10359	4.7
130.08759	21.1
135.04559	3.5
139.49109	1.4
140.07204	5.2
144.07774	10.0
146.04613	28.9
153.10356	2.0
155.11937	3.2
167.11902	1.4
168.07764	18.7
171.15068	5.1
182.13152	2.2
183.11443	3.8
186.08865	13.7
197.13013	1.4
199.18175	3.3
208.13402	1.5
215.14024	4.4
225.16154	2.8
230.11670	1.8
231.81491	1.5
241.11931	1.6
243.58401	1.4
252.20859	2.3
259.13034	2.4
270.21954	6.4
314.20923	2.9
328.22623	2.2
329.78351	1.6
355.27185	1.5
399.26190	5.4
413.24097	37.8
439.25656	2.6
457.26917	16.1
498.29260	2.2
542.28369	81.5
543.28748	4.1
586.31226	100.0
587.31702	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	587.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41020	0.3
79.95742	4.0
82.04230	0.2
86.44059	0.3
91.57808	0.3
96.96021	100.0
125.02379	0.3
127.25719	0.3
133.19839	0.3
134.45914	0.3
153.01935	0.8
181.48065	0.3
271.06058	0.5
283.02621	0.4
298.04651	0.3
313.07294	0.9
447.16827	0.3
471.11017	0.4
480.65811	0.3
515.11932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
69.30740	2.2
73.61200	0.5
79.89564	0.6
79.95764	1.9
96.96046	1.4
110.00094	0.8
121.02975	0.8
122.97102	0.6
123.00945	1.0
125.02466	0.7
137.02441	0.7
140.20018	0.5
147.00916	3.1
148.01701	2.5
149.02449	9.2
153.01959	3.7
161.02472	0.8
163.00395	0.7
164.98322	1.7
165.01956	1.0
165.99120	2.5
167.03452	1.0
176.01224	0.7
177.73946	0.6
181.01497	1.0
186.03246	0.6
189.48831	0.6
195.02982	0.7
214.02792	1.4
217.01532	0.9
230.02266	0.7
235.05873	0.7
242.02333	1.9
270.01810	1.1
286.01245	3.1
287.01828	0.8
297.00876	0.6
300.02734	0.8
301.03558	2.8
302.04337	0.8
311.02112	1.4
311.07840	0.7
314.00723	32.8
315.01413	4.0
329.03027	36.4
330.03763	4.9
343.04596	2.4
344.05386	87.4
345.06012	10.3
387.07349	1.3
507.11453	100.0
508.11768	6.7
587.07068	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	587.084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.3
59.01386	11.5
61.98832	2.1
63.02419	1.0
65.00342	1.1
71.01395	2.6
85.02934	1.5
89.02441	1.2
95.01357	0.8
97.02972	1.2
99.00877	1.7
101.02435	1.8
102.62538	0.8
107.01422	2.0
109.02966	0.9
113.02461	2.1
116.92902	0.9
117.03472	6.4
119.05020	2.7
121.02986	1.3
125.02465	12.1
126.93194	0.9
133.02979	3.0
134.03745	0.8
135.04541	4.3
137.02451	3.4
143.04697	1.2
151.00374	2.2
151.35921	0.9
151.81305	0.8
152.01131	1.8
152.77888	0.7
159.04590	1.2
161.02484	1.9
165.01917	4.0
171.04564	1.1
173.02420	1.5
178.99841	3.5
185.02504	1.6
187.04018	2.4
193.03516	1.3
199.03987	1.3
199.10924	1.2
207.02895	1.0
211.04117	1.3
213.01869	1.7
215.03505	2.7
226.02658	0.9
227.03543	2.6
239.03610	0.9
241.01346	2.0
242.02231	0.9
243.03023	14.6
244.03789	0.9
255.03023	2.9
267.03006	2.0
268.03641	1.3
269.04501	1.3
271.02655	4.0
275.07318	1.2
283.02475	1.7
285.04047	4.0
295.02487	2.1
297.04141	1.4
311.02246	1.0
315.06693	0.9
331.06259	1.1
359.05777	2.0
371.05765	1.1
375.04922	1.5
387.05090	1.0
389.06796	4.9
392.05322	1.7
403.04608	21.0
405.06201	5.7
415.04645	2.3
417.06238	0.9
425.18091	1.5
433.05615	2.6
443.04248	1.3
461.05191	100.0
462.05389	7.0
467.19168	1.4
501.08505	2.2
525.08350	2.5
543.09509	1.6
569.07159	4.1
587.28009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.3
59.01386	11.5
61.98832	2.1
63.02419	1.0
65.00342	1.1
71.01395	2.6
85.02934	1.5
89.02441	1.2
95.01357	0.8
97.02972	1.2
99.00877	1.7
101.02435	1.8
102.62538	0.8
107.01422	2.0
109.02966	0.9
113.02461	2.1
116.92902	0.9
117.03472	6.4
119.05020	2.7
121.02986	1.3
125.02465	12.1
126.93194	0.9
133.02979	3.0
134.03745	0.8
135.04541	4.3
137.02451	3.4
143.04697	1.2
151.00374	2.2
151.35921	0.9
151.81305	0.8
152.01131	1.8
152.77888	0.7
159.04590	1.2
161.02484	1.9
165.01917	4.0
171.04564	1.1
173.02420	1.5
178.99841	3.5
185.02504	1.6
187.04018	2.4
193.03516	1.3
199.03987	1.3
199.10924	1.2
207.02895	1.0
211.04117	1.3
213.01869	1.7
215.03505	2.7
226.02658	0.9
227.03543	2.6
239.03610	0.9
241.01346	2.0
242.02231	0.9
243.03023	14.6
244.03789	0.9
255.03023	2.9
267.03006	2.0
268.03641	1.3
269.04501	1.3
271.02655	4.0
275.07318	1.2
283.02475	1.7
285.04047	4.0
295.02487	2.1
297.04141	1.4
311.02246	1.0
315.06693	0.9
331.06259	1.1
359.05777	2.0
371.05765	1.1
375.04922	1.5
387.05090	1.0
389.06796	4.9
392.05322	1.7
403.04608	21.0
405.06201	5.7
415.04645	2.3
417.06238	0.9
425.18091	1.5
433.05615	2.6
443.04248	1.3
461.05191	100.0
462.05389	7.0
467.19168	1.4
501.08505	2.2
525.08350	2.5
543.09509	1.6
569.07159	4.1
587.28009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84935	1.0
51.97243	0.9
62.60817	1.1
65.00336	6.5
67.58569	1.3
68.99814	3.2
69.46339	4.1
77.00340	1.3
80.60629	1.0
92.99833	12.5
95.01375	1.9
96.99294	2.8
97.41138	1.1
104.99866	2.1
120.99308	4.1
124.98805	1.3
125.94525	1.0
136.98836	4.8
143.05075	1.2
145.06660	1.2
155.05003	2.2
157.06496	2.2
164.98280	9.9
165.07086	1.1
169.06590	2.8
171.04543	3.0
171.08098	1.0
173.06088	15.4
181.06569	2.0
185.06133	1.1
187.04021	2.2
189.05592	1.1
192.97775	21.8
193.01399	1.9
197.06088	13.2
201.05588	3.5
204.97766	1.6
209.05894	1.4
220.97406	2.0
225.05585	15.1
227.03508	1.5
229.05060	1.7
241.05124	2.0
243.06584	1.9
253.05133	8.2
255.02966	2.8
261.07886	1.4
269.04599	10.6
271.06146	2.8
271.26880	1.1
297.04083	36.5
297.07297	2.2
325.03549	100.0
326.03873	2.6
341.06305	1.2
365.07355	1.1
415.13696	1.5
485.30707	1.2
525.59045	1.2
569.10864	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	587.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42899	3.4
54.00028	3.3
55.76783	2.8
65.00333	5.8
65.99850	7.3
68.01423	10.0
69.10312	6.8
69.10722	18.0
69.16698	3.0
94.03008	23.2
95.31275	3.1
96.00977	3.7
110.02522	3.2
120.00912	7.6
121.01750	10.5
134.02498	13.2
136.00429	9.0
138.01997	29.8
149.01198	20.6
150.56848	3.1
151.02824	3.7
161.03603	3.4
163.99899	10.6
165.00732	4.6
171.04539	7.1
176.03540	43.0
186.06073	4.0
189.44684	3.6
202.08240	3.8
202.24922	3.3
208.07722	5.0
236.07262	7.9
242.08252	28.3
252.06758	5.2
254.08299	4.5
255.06563	4.5
264.06702	7.7
268.06113	17.0
269.06900	4.6
270.07718	100.0
280.06195	29.2
282.07639	18.5
295.98300	5.4
296.05716	50.7
370.24207	4.4
373.16138	3.6
400.04608	11.2
400.12006	5.8
401.04938	17.5
403.09372	29.3
432.28821	3.6
443.23233	4.2
505.11365	22.6
533.13721	3.6
551.14276	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	587.163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45859	0.9
57.03444	3.2
59.01086	1.4
59.01382	23.2
69.03452	1.4
69.57746	3.1
71.01388	21.6
72.99333	5.2
73.02951	3.0
75.00877	28.1
76.48177	1.2
83.01410	2.3
85.02469	1.6
85.02963	26.2
87.00885	10.6
89.02454	4.5
93.03485	2.0
95.01381	2.4
97.02967	1.9
99.00891	17.1
101.02480	2.5
103.17236	1.1
109.02934	1.1
111.39268	1.0
113.02463	21.4
115.00378	3.6
117.01941	2.7
119.05047	2.3
121.02942	1.5
122.02491	9.4
125.02451	1.5
128.03564	3.1
131.03523	1.6
133.02977	1.7
135.04515	2.9
137.02480	2.4
147.04547	1.6
148.05322	77.7
157.01378	1.1
161.02469	4.1
163.07660	32.2
165.01891	1.4
167.03468	2.6
175.02505	4.6
196.02542	2.4
221.08281	1.2
273.75290	1.0
335.32156	1.1
379.09045	5.3
385.73401	1.2
425.18137	4.1
501.16074	4.2
543.17249	100.0
544.17615	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	587.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.2
61.98841	1.2
71.01032	0.9
71.01384	4.7
73.02953	3.0
78.95930	1.0
83.01401	1.2
85.03003	1.2
89.02459	1.9
93.02872	1.8
93.03468	34.7
95.01382	1.1
96.96030	2.8
101.02464	2.6
113.02456	2.9
117.03503	2.8
119.05046	3.7
122.02493	7.9
133.02989	1.8
134.03780	1.1
135.04565	7.5
136.04086	4.2
137.02460	100.0
138.02809	1.9
139.19707	1.0
160.44614	1.0
161.04588	1.6
168.57271	0.9
175.03972	1.2
193.04955	1.2
249.13512	1.4
268.33609	1.0
284.02832	1.0
285.03857	1.2
301.03314	1.0
383.11508	1.6
440.73944	1.1
468.81741	1.0
543.21246	4.8
587.21167	1.5
606.43353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77121	2.0
59.01383	43.8
60.99311	4.2
64.90391	1.9
65.00311	2.0
66.34211	2.3
69.71354	6.2
71.01404	11.9
72.99300	2.4
73.02941	6.5
85.02961	6.3
88.98810	29.0
89.02438	6.8
90.76276	2.4
93.03466	29.8
96.96008	14.2
98.22659	3.6
101.02428	6.5
113.02467	6.9
116.92861	3.9
117.03446	5.8
119.03529	2.3
119.05021	9.1
122.02496	11.4
133.02968	2.5
134.03749	31.2
135.04454	15.0
136.04147	6.6
137.02455	100.0
138.02934	2.2
149.02505	12.7
160.01732	3.5
161.02354	4.6
164.04840	10.9
175.00394	3.1
175.04005	5.6
193.05087	27.2
194.05444	15.2
195.05603	9.1
205.05045	3.0
223.06099	22.9
235.12390	2.5
252.62650	2.3
284.03232	3.2
285.03876	2.2
421.16483	2.1
493.14725	2.5
543.20642	3.8
569.20648	6.7
587.21655	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	587.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	21.9
71.42297	8.3
98.02488	15.8
100.25980	8.0
102.10580	7.5
102.41894	8.1
121.03271	7.3
122.02495	100.0
125.02407	8.2
128.03545	13.6
139.00377	7.7
141.01917	7.7
171.07843	17.6
183.02989	8.7
196.51231	7.5
458.26645	13.6
519.71893	10.0
587.29468	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03752	3.5
52.97229	2.7
55.77635	3.2
59.01385	21.0
59.32840	3.1
61.98841	4.5
65.00340	5.1
67.93394	3.0
69.54226	10.4
79.80679	3.5
82.63393	2.6
117.03484	12.2
119.05042	14.6
122.02500	44.1
123.02826	8.1
133.02928	3.2
135.00868	6.0
135.04547	13.9
163.00391	20.2
164.98325	5.1
165.28477	3.1
165.98947	3.4
183.01282	3.0
183.04550	5.7
187.04170	4.4
211.04037	4.5
214.60335	3.1
227.03632	5.2
254.45474	3.9
255.03000	13.7
283.02478	71.8
284.03262	100.0
284.06400	7.3
285.04095	15.2
311.38812	3.6
316.16888	3.8
329.17639	5.2
390.39532	3.3
477.15540	11.3
495.16574	11.4
539.29340	3.5
569.20410	31.1
587.22186	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78888	0.1
58.19320	0.2
61.98825	0.4
65.03956	0.7
80.36507	0.2
85.27690	0.2
87.23660	0.2
93.03465	64.6
94.03778	0.8
104.02184	0.2
113.78395	0.2
137.02457	100.0
138.02802	1.4
176.02315	0.2
203.80121	0.2
236.87732	0.2
283.61984	0.2
587.25189	1.6
588.26074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25928	0.3
55.64282	0.3
57.03445	0.6
59.01384	32.7
71.01404	0.3
71.05024	7.8
71.35078	0.4
73.02947	3.2
85.02955	1.1
87.00882	0.4
87.04520	4.8
97.02994	0.5
97.06593	1.0
97.09129	0.3
99.04533	10.2
99.08178	3.3
101.02444	0.8
101.06099	1.2
103.92058	0.4
108.02177	0.4
109.02979	0.4
109.06593	1.2
113.06076	1.9
115.04024	100.0
116.04363	1.1
117.05590	81.9
118.05933	1.0
122.94646	0.3
125.06084	0.5
127.07688	0.6
137.06142	0.4
141.05553	0.8
147.08170	0.4
150.18825	0.4
151.07663	0.5
153.05606	2.4
153.09221	0.4
155.07155	2.0
159.06645	23.4
159.65660	0.3
163.07642	0.4
165.09248	0.6
173.06194	0.5
173.08150	2.0
174.06880	0.5
175.04008	0.4
178.06371	0.9
178.98026	0.4
190.91333	0.3
195.06638	6.7
195.08286	0.5
197.57231	0.4
210.43185	0.3
215.09193	0.6
217.12390	0.5
255.13730	0.4
261.11292	0.6
273.14981	0.7
311.16516	1.5
313.14639	0.6
327.19559	1.7
329.17361	1.0
343.19199	1.2
365.21255	0.6
371.18677	1.2
383.22345	0.7
427.21249	4.3
471.24008	2.8
584.78955	0.4
587.28662	7.7
588.29065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01383	27.0
63.73774	0.3
70.19824	1.0
71.01374	0.4
71.05023	8.8
73.02946	3.9
79.09077	0.3
81.03500	0.4
83.01383	0.7
83.05025	0.4
85.02959	1.7
87.04518	4.1
97.02953	0.7
97.06604	1.2
98.12669	0.3
99.04523	7.2
99.08164	3.8
101.02435	0.6
101.06087	1.5
103.11719	0.3
108.02174	0.5
109.02940	0.6
109.06584	1.3
113.06068	2.1
115.04021	100.0
116.04359	1.0
117.05587	63.1
118.05911	0.7
127.07662	0.8
135.08267	0.4
141.05598	1.2
153.05586	2.6
155.07120	2.4
159.06639	17.7
163.07773	0.4
173.06134	0.5
173.08168	1.7
178.06366	0.8
181.05142	0.4
189.05693	0.4
195.06633	8.3
195.08264	0.5
198.29065	0.3
215.09247	0.8
239.10712	0.5
255.13977	0.6
273.14853	0.5
309.18716	0.5
311.16647	1.4
313.14294	0.8
327.19730	2.2
329.17621	0.6
330.40854	0.4
343.19031	1.1
365.21347	0.9
366.22122	0.4
371.18628	1.1
383.22266	0.5
405.22443	0.8
427.21198	4.2
471.24023	2.1
587.28735	6.5
590.19287	0.4
594.36658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61552	2.1
59.01383	100.0
59.10768	1.8
71.01381	12.2
73.02970	4.5
83.01414	3.2
85.02966	5.5
95.01398	2.6
97.02962	3.3
101.02459	4.6
113.02452	6.7
119.05018	3.3
122.02509	18.4
125.02480	2.6
135.04533	3.5
161.04594	8.5
173.87936	1.8
283.02307	2.0
285.04037	4.1
339.25378	8.1
425.05261	2.8
467.19586	2.5
483.29803	11.6
501.30762	12.8
543.31879	4.6
587.22028	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	588.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17720	0.9
55.90739	0.9
61.98830	1.1
62.61045	1.0
65.34289	0.9
70.27473	1.1
70.27812	2.3
71.23935	0.9
95.71095	0.9
96.35644	0.9
156.35524	0.9
171.04514	1.6
186.02023	2.2
187.02650	1.1
198.01927	1.2
199.02733	1.6
202.01503	3.1
204.42848	1.0
214.01460	1.8
226.01468	1.6
239.02142	1.3
243.01733	2.7
255.01784	1.3
270.00464	5.9
283.01236	3.7
292.06140	1.8
302.08337	1.5
304.06000	1.1
306.07733	1.1
311.00824	1.6
317.06787	1.8
330.07791	3.6
332.05582	1.2
334.07208	6.4
351.80063	1.1
358.07324	2.0
359.07730	1.1
374.06732	11.8
375.07321	1.9
387.07709	3.5
388.08331	1.6
402.06284	10.7
415.06888	3.1
461.12531	1.1
462.14017	1.8
464.11499	1.5
478.13156	2.4
506.12460	100.0
507.12698	7.5
528.10693	6.3
588.06464	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	588.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25312	2.7
52.15958	3.0
64.49769	2.6
65.00320	4.9
65.99850	8.6
68.99792	3.1
69.08644	9.5
69.09051	8.4
73.37418	2.5
79.20954	2.5
83.01385	5.1
94.02994	3.5
95.01396	3.3
104.19437	3.0
106.02911	3.4
111.00863	4.7
115.05529	3.3
117.03484	3.8
121.02917	5.0
122.02486	3.6
130.02997	4.1
131.05013	13.6
134.02498	11.4
136.00444	5.4
143.05081	4.9
146.02440	8.4
148.04028	4.1
150.01964	9.9
151.00308	3.4
151.02695	3.4
152.03546	3.3
160.04050	6.8
162.01935	14.3
163.99812	5.4
164.03543	9.2
165.00687	4.6
166.05141	4.2
171.04523	5.8
174.01942	6.4
175.02690	4.9
175.99902	4.1
176.03520	9.6
178.01476	9.5
188.03542	4.6
189.05562	8.3
190.01450	11.5
190.98619	3.7
191.02203	16.6
192.02998	17.3
200.03528	3.2
202.01498	6.2
204.03014	35.8
206.00919	3.0
206.04576	9.1
216.03024	3.7
218.00986	6.6
220.02501	5.9
221.03154	2.8
224.07207	3.0
225.22693	3.2
242.08185	11.5
244.02541	3.0
246.03992	4.9
255.06523	2.9
268.06061	21.7
270.07703	33.9
278.08344	18.9
280.06210	15.7
282.07690	3.2
294.07733	12.7
295.04858	12.3
296.05658	23.5
297.09680	3.7
306.07642	5.3
316.04553	2.6
322.07166	9.4
354.09857	13.4
366.06186	40.8
366.10135	2.8
372.11377	3.3
384.10995	19.1
408.07004	4.3
454.11627	6.7
482.10913	59.1
515.49188	3.9
528.13287	15.6
544.15454	5.1
564.57672	3.3
570.14276	13.7
588.15167	100.0
589.15765	6.2
590.80969	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	588.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.0
61.98820	2.5
64.75636	2.7
65.00343	2.8
65.99850	8.6
68.11804	2.2
68.99833	3.1
70.15330	5.2
81.03474	3.9
81.93382	2.4
83.01357	3.1
85.47987	2.1
85.63740	2.4
93.03446	2.8
95.01390	3.8
98.02505	5.2
107.00105	2.9
111.00883	3.8
120.00871	2.7
126.02007	3.3
134.02473	6.8
135.03268	4.1
136.00412	5.6
138.02007	4.1
145.06618	3.6
151.00371	3.4
151.02759	3.2
153.01955	3.4
163.00349	4.6
163.99895	6.2
166.01477	4.6
166.05083	3.1
169.06566	2.5
171.04494	5.0
173.06026	2.7
175.99870	9.4
187.07693	4.1
189.05713	3.0
190.01418	5.0
190.98586	6.8
191.99393	5.2
192.03113	3.2
193.20850	2.4
199.15848	3.1
203.99417	3.3
218.00836	3.1
226.08670	2.7
240.06758	4.1
242.08270	32.7
252.06729	4.6
255.06693	3.7
268.06213	17.3
269.04620	8.3
270.07733	100.0
271.08026	4.6
280.06161	38.6
287.05676	4.8
294.04462	4.0
294.07620	21.5
295.04797	13.3
296.05630	37.9
304.06146	3.2
306.07779	2.9
308.05762	2.8
322.07239	5.9
326.06702	4.7
338.06580	4.9
338.10275	3.1
346.07114	5.1
350.06638	9.7
352.08313	3.8
362.02887	3.1
364.08411	5.8
366.06232	50.1
382.09579	6.7
394.05707	13.4
406.09201	9.2
408.07123	10.6
421.08078	3.1
425.07217	3.1
426.08154	4.6
450.09561	4.8
466.09332	24.7
480.03046	2.7
494.09058	7.6
512.13171	5.6
526.11395	12.2
528.13275	17.6
556.12335	3.4
570.13672	3.5
588.17938	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	588.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
65.03970	0.8
69.94343	1.0
73.02565	0.3
78.03497	2.4
85.02968	3.1
87.00869	0.5
88.60410	0.3
93.03467	54.2
94.03802	0.7
97.29947	0.4
121.06602	0.4
122.02495	100.0
123.02836	1.4
126.03243	0.3
135.04507	0.6
137.02458	90.2
138.02823	1.1
149.06029	0.4
158.22514	0.3
165.09340	0.7
186.23480	0.3
229.15900	0.4
255.17474	2.5
259.17059	1.2
273.18756	1.2
283.17047	0.8
301.18073	1.4
327.16107	1.0
345.17090	9.6
447.17807	0.4
461.58798	0.3
465.19092	1.8
487.46661	0.4
516.23926	11.0
517.24530	0.7
588.22461	6.5
589.23413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23759	19.1
59.30497	19.5
61.98833	100.0
69.91005	42.2
119.05087	20.8
122.02535	26.7
162.29724	18.7
200.18077	20.2
284.05753	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	35.6
71.43751	41.5
71.91843	36.2
80.91670	50.6
82.95423	100.0
121.02929	39.9
122.02464	44.5
146.59514	40.6
198.86099	30.8
257.65085	34.4
375.93179	32.6
485.61337	38.5
517.64868	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.42003	1.0
72.99323	1.3
85.45194	1.0
91.79018	0.7
113.06048	1.0
114.71342	0.8
119.05040	1.1
122.02486	21.4
123.02828	2.8
135.04524	0.9
136.04062	1.7
139.04080	0.8
145.04961	0.8
161.24698	0.8
170.62808	0.9
289.14417	1.2
294.63287	1.0
365.84775	0.8
419.14404	1.2
468.20053	1.8
569.99542	0.9
588.21234	1.7
589.21649	2.3
597.50488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.5
65.12794	9.5
73.84489	9.8
115.04034	78.2
117.05588	72.0
136.68631	10.4
152.15718	10.4
163.07710	15.0
183.92259	10.4
249.53212	10.7
255.13838	17.6
273.14966	100.0
342.98169	12.0
347.18710	20.5
458.51144	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	588.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09153	17.6
51.45732	15.9
59.01374	31.0
69.84552	65.3
115.03996	88.8
117.05579	71.8
163.07805	28.0
166.75885	17.8
171.22787	16.6
249.71600	16.5
273.14987	100.0
347.18634	25.6
468.71060	19.6
540.99426	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	588.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45426	1.1
55.01877	1.3
59.01372	3.0
61.98840	2.1
71.01416	1.2
71.04994	2.6
80.05080	3.8
82.02988	14.4
83.01407	2.3
83.05027	3.5
86.02479	2.7
96.04575	5.3
98.01897	2.1
98.02486	28.2
98.06148	5.4
99.00908	1.5
108.04568	23.0
117.03517	1.4
119.05061	1.8
122.02473	4.2
124.04045	11.7
124.90650	1.2
126.05617	11.8
127.00355	1.6
128.03522	4.4
135.04543	3.5
141.01920	1.8
142.03314	5.0
142.05095	3.3
152.03563	27.9
168.03046	12.3
170.04613	8.2
171.07747	2.3
178.32672	1.1
183.03008	2.4
196.02534	100.0
197.02914	1.3
214.03589	12.4
284.03253	1.7
286.04172	1.3
373.24246	11.1
402.07013	2.0
459.26312	1.8
542.27765	2.4
570.27472	19.6
588.28741	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	588.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98418	29.1
52.07933	30.6
70.36089	60.1
96.96005	100.0
122.02483	82.4
170.54538	30.0
191.54837	31.0
206.65918	30.5
255.23427	71.0
445.97162	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04391	7.9
57.01613	8.1
65.00333	43.7
69.12704	49.1
95.89726	8.3
96.96019	100.0
125.84482	7.4
136.98831	31.6
141.01978	23.2
141.03317	7.8
149.93834	8.5
151.55960	7.3
178.12535	8.4
241.05023	35.0
250.34531	8.2
303.05051	17.3
451.07635	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	589.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92763	5.1
55.21349	5.2
59.01381	24.5
71.01360	5.3
71.42069	7.0
75.16894	5.1
79.13668	5.1
79.54918	5.7
82.14516	4.9
85.02925	6.7
86.35896	5.0
106.85101	6.0
116.92850	8.1
119.05042	23.4
121.03066	6.7
122.02495	6.3
133.02966	16.7
138.61340	6.4
145.02979	6.2
149.02501	8.3
178.31326	5.3
186.72134	5.1
186.73903	5.4
215.03613	5.1
220.60506	5.7
284.03235	23.9
285.04047	100.0
373.43533	5.9
450.51810	6.1
451.87091	6.5
571.21552	8.5
589.21790	6.8
598.95435	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82307	0.5
69.12109	3.4
72.99344	2.7
73.69659	0.4
75.00879	100.0
78.94427	0.4
90.39194	0.4
91.88728	0.5
107.81773	0.4
115.04012	0.7
121.02997	0.7
125.04552	0.5
179.51346	0.5
243.87320	0.4
327.02872	0.5
421.14426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06602	18.6
59.01387	20.4
65.99861	25.2
87.52183	19.1
154.91093	19.6
161.06046	23.6
163.99879	21.3
169.32092	21.3
202.01331	25.3
211.87761	19.8
242.08183	31.7
260.82547	24.2
268.06168	39.4
270.07623	100.0
280.06262	52.6
288.93448	19.9
296.05771	43.6
309.11374	30.4
310.11713	27.0
315.97714	22.7
346.07208	25.9
350.06760	29.4
355.67184	22.8
402.00928	22.1
486.04462	33.8
590.11072	79.6
590.23224	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	590.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36006	9.2
61.98840	16.5
62.28777	8.5
65.00332	12.3
69.36898	33.0
69.37308	17.5
79.52999	10.3
93.03470	45.8
105.89582	9.6
122.02492	100.0
123.02820	21.3
137.02440	61.4
138.02797	18.3
216.91978	10.3
250.12827	10.0
277.89658	9.6
284.03378	16.1
518.23724	14.7
583.36700	10.6
590.24158	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	590.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53591	11.7
61.98816	32.0
69.20126	67.0
87.04576	14.5
100.36565	15.3
115.03951	18.2
117.05614	100.0
146.95662	19.3
284.03613	29.1
601.13165	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	590.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	7.8
61.98826	9.5
62.07411	7.4
69.26390	36.0
71.01379	28.9
71.04964	7.3
73.02953	20.8
77.38400	6.5
78.95924	15.3
82.40862	6.2
85.03571	6.1
87.04523	19.1
115.04012	32.3
117.05579	20.5
122.86153	7.3
134.50568	7.6
153.09254	9.3
155.29507	6.7
331.19232	9.5
335.26828	8.6
349.20233	100.0
370.22610	8.8
375.06134	7.4
406.50122	7.0
456.69766	7.7
543.72491	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	590.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	47.8
69.14291	100.0
76.47605	13.0
83.11734	14.4
98.21958	28.5
117.05600	28.4
141.53336	13.5
162.38080	15.5
171.00325	16.2
173.45457	15.2
233.51237	16.1
444.06143	18.4
598.46735	16.7
601.50305	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	591.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83714	0.8
59.01389	10.7
61.98817	0.8
63.96222	0.7
65.00323	4.0
69.45671	3.6
71.01394	13.6
73.02949	1.3
78.98523	0.8
79.95744	0.7
83.01396	0.8
85.02956	11.0
87.00897	2.8
88.11385	0.9
89.02452	1.8
95.01407	3.0
96.96019	2.7
99.00907	4.0
101.02477	2.7
103.00391	1.6
110.00117	3.4
111.00861	1.1
111.61613	0.7
111.94016	0.7
113.02465	14.8
117.01955	1.6
119.05027	3.1
128.03572	2.2
129.02016	1.7
133.02997	2.2
135.04529	1.5
136.00412	2.1
136.98813	5.4
138.02057	0.9
139.00403	1.2
143.04733	1.3
152.01137	0.8
161.04590	0.8
163.00443	0.9
163.99913	2.3
164.98279	1.3
165.00676	0.8
165.99179	3.8
172.05313	1.1
175.02515	5.8
193.04045	0.8
199.04086	3.0
201.01955	1.1
204.92284	0.8
209.04489	1.3
214.02780	0.9
215.03596	1.1
216.04182	1.8
217.71889	0.7
226.02533	0.8
227.03571	2.2
228.04318	1.7
243.03105	4.3
255.02971	3.2
271.02539	6.1
271.05148	1.2
272.03168	1.3
272.08923	4.5
277.09311	1.0
283.02579	0.9
284.05667	2.3
285.03937	1.4
299.01993	19.9
300.02780	100.0
301.03485	10.5
313.03439	0.9
318.04626	7.9
325.61804	0.9
368.13348	0.9
393.67984	0.8
397.09299	18.8
398.09464	1.3
415.10364	48.6
416.10580	2.2
425.95233	1.0
476.06122	8.8
573.12451	4.2
591.12628	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	591.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37309	0.6
64.01926	4.8
65.00328	1.9
65.99851	33.9
69.04616	1.9
69.05042	2.9
69.21107	0.6
83.01395	0.8
88.01930	1.4
89.99873	2.3
107.01402	1.1
108.00235	0.8
108.00900	3.4
119.04987	0.8
132.00911	1.9
133.01717	2.2
145.06584	1.0
148.00418	1.4
151.00377	1.7
161.01213	1.3
163.00414	2.3
169.06644	1.9
171.04573	5.2
175.99898	25.4
187.99933	1.3
189.00758	2.2
202.01346	0.9
207.09935	1.0
208.07692	1.1
210.05588	1.2
211.07637	1.0
213.05577	2.5
236.07274	1.2
238.03003	0.6
238.05077	4.8
242.08281	2.1
252.06677	2.5
255.06627	13.8
255.09135	1.0
256.06790	0.8
267.06613	7.0
268.06281	0.9
269.04456	1.0
270.07703	3.3
280.06168	71.7
281.06552	2.1
292.06174	1.2
298.07187	5.5
322.07013	0.9
330.73395	0.8
470.05219	1.4
480.14841	1.1
548.13544	100.0
549.13910	5.3
574.11438	14.0
575.11438	0.9
591.14111	7.7
592.14459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89891	4.7
69.10766	13.2
69.11195	22.6
103.01890	5.9
112.98835	5.5
131.01393	13.1
134.00206	5.2
163.00363	5.6
164.39296	5.5
173.02383	4.8
173.99622	9.4
175.00342	21.6
189.99121	7.1
201.01857	6.1
202.99852	40.5
204.00645	11.9
208.07713	5.7
217.01472	6.2
225.22516	5.0
233.00801	7.2
242.01065	5.9
261.00436	13.1
265.04974	7.9
268.06107	11.1
269.04373	6.1
270.07581	10.8
271.05960	9.8
271.41110	6.0
279.06613	22.2
280.06122	8.4
307.06088	59.6
308.06094	6.5
323.05566	6.6
335.05679	29.7
346.07193	12.4
347.07776	11.2
365.06705	18.3
366.07443	6.2
367.08234	100.0
378.03671	12.0
393.06070	8.1
411.07074	11.0
428.38818	5.9
438.31519	5.9
487.04825	16.0
591.11169	68.2
592.16089	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	591.1726
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01382	2.1
62.77256	0.5
65.00332	0.8
69.40542	1.0
69.40929	1.0
71.01377	2.3
73.02983	0.5
73.67251	0.4
85.02956	1.5
91.01920	0.8
93.03470	2.0
101.02472	0.5
105.27113	0.4
107.05012	0.9
110.00079	2.5
113.02448	2.0
117.03397	0.7
119.01379	2.7
119.05017	2.8
121.02965	11.9
132.02225	0.6
134.03775	1.2
135.04546	3.4
137.99594	0.7
147.00874	3.3
147.04564	2.3
149.02460	53.9
150.02849	1.0
151.04092	0.5
152.01155	1.8
161.02448	0.9
162.03241	1.0
163.04051	5.6
163.05269	0.8
164.04817	40.3
164.98372	0.9
165.01923	2.0
165.05078	1.2
165.99077	1.6
166.99887	0.6
175.00380	18.4
177.01952	1.1
177.05611	0.6
179.07159	5.3
180.00670	0.9
181.04987	0.5
185.61543	0.5
189.01985	1.3
190.02753	43.3
191.03423	1.5
193.01450	8.2
205.05078	53.7
206.05614	2.1
207.02966	2.2
208.03799	18.0
217.01495	1.3
221.08107	0.5
223.06139	100.0
224.06584	2.3
232.03856	1.1
247.06186	3.0
265.07156	1.1
276.32217	0.5
285.03992	2.3
286.04874	4.9
287.05386	0.7
325.09335	0.6
337.05740	3.3
352.07935	5.0
367.10355	43.2
368.10703	2.0
383.11319	4.1
415.14078	2.7
509.23697	2.4
551.99323	0.5
591.17255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75216	16.3
55.08621	16.4
59.01380	36.8
61.98817	40.7
64.03220	16.4
69.20647	100.0
119.05045	26.2
126.92592	18.0
145.03011	15.6
161.38292	17.5
177.41792	15.6
284.03326	43.8
285.03735	27.5
338.73300	16.7
349.15030	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	591.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97395	1.6
59.01133	1.9
59.01389	27.7
69.86687	3.1
69.87012	3.3
71.01389	31.5
73.02942	3.5
83.01390	2.8
85.02957	20.5
87.00865	2.8
89.02465	11.0
89.27122	1.8
92.76389	1.5
95.01385	3.6
97.02973	2.6
99.00876	2.7
101.02460	10.3
103.04041	2.2
103.05552	3.1
113.01723	2.3
113.02465	29.5
119.03496	4.0
123.04532	37.9
125.02491	2.7
127.04053	3.5
133.02945	1.8
134.03728	1.8
135.04539	78.0
143.03482	3.9
147.04535	94.5
148.04817	1.8
153.05597	38.1
161.02435	5.5
161.04572	3.7
161.06067	3.9
163.06113	2.3
165.89243	1.5
173.06071	1.4
179.03479	3.0
189.05440	1.8
193.04947	1.8
211.06204	3.8
243.06610	4.5
243.91856	1.7
251.05547	3.4
297.09787	5.4
307.02167	1.7
315.10858	21.5
317.46170	1.7
328.32309	1.8
341.08551	1.8
342.20068	1.8
443.09473	2.0
443.15601	40.6
444.16254	2.4
445.14987	5.0
461.16702	3.4
591.20862	100.0
592.21222	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	591.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47930	0.2
57.03458	0.6
59.01385	6.0
69.65553	0.5
69.65942	0.5
71.01385	4.7
73.02956	0.5
83.01403	0.2
85.02960	4.5
87.00868	0.2
89.02459	2.5
95.01392	2.1
98.22574	0.4
101.02451	1.1
105.03470	0.6
107.05040	0.8
113.02460	9.1
115.01903	0.2
117.03521	1.3
119.03522	0.5
123.04531	0.4
132.02159	1.8
133.02971	29.5
134.03693	0.8
135.04532	4.3
143.03476	0.2
151.04028	1.4
161.02455	100.0
162.02763	1.9
173.33437	0.2
178.02742	0.2
179.03465	1.6
180.85625	0.2
239.28671	0.3
429.17487	0.6
429.27090	0.2
591.20850	33.5
592.21124	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	591.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34797	0.8
52.84002	0.8
55.01880	1.6
57.03450	1.1
59.01088	0.8
59.01385	14.7
60.85660	0.6
69.03455	2.1
69.75313	1.6
69.75639	0.8
71.01389	33.4
72.99316	1.5
73.02952	4.7
81.03468	1.4
83.01409	2.8
85.02961	6.9
87.00883	1.0
87.04925	0.7
89.02451	3.3
91.05541	1.1
95.01399	1.8
95.58084	0.7
97.02953	2.8
99.00884	5.1
101.02461	4.2
103.04070	0.9
103.05550	2.3
107.05032	1.3
111.00898	1.3
112.01675	1.0
113.02457	11.9
117.03465	0.7
119.03478	1.7
119.05048	1.2
123.04536	14.4
125.02483	3.9
127.04012	1.0
131.05020	1.9
133.06688	0.9
134.03752	1.9
135.04539	70.6
143.03534	2.6
145.06592	1.0
147.04538	95.1
148.04839	2.0
153.05583	13.9
159.04520	0.9
161.06097	10.4
163.06146	1.0
167.03491	0.8
169.06638	0.9
171.04469	0.8
171.08144	1.0
173.06036	0.9
177.05542	1.1
187.07632	1.6
189.05598	1.5
211.06111	1.2
215.07199	3.8
237.07837	1.2
243.06616	8.4
291.08725	1.6
297.09839	7.7
315.10941	8.0
427.13861	2.0
443.15628	16.7
445.15012	5.3
461.16776	1.2
461.62219	0.7
591.20905	100.0
592.21313	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	591.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30004	0.3
59.01383	3.9
61.98860	0.3
69.31773	1.1
69.99014	0.2
71.01396	2.2
72.18632	0.3
72.99324	0.3
73.02963	0.9
82.22222	0.3
85.02942	1.3
89.02460	2.4
89.03999	1.7
95.01363	0.5
99.00890	3.3
101.02448	1.0
106.04262	0.4
113.02467	2.4
116.92819	0.4
117.03475	5.8
119.03530	0.4
119.05049	0.4
131.03473	0.3
132.02167	2.7
133.02934	0.3
134.03754	75.7
135.04153	1.0
137.02470	0.3
143.03503	0.3
146.74454	0.3
149.04807	0.4
149.06087	6.8
149.07240	0.5
160.01666	8.3
161.04579	0.4
175.04012	10.6
178.02676	1.5
191.05571	0.3
193.05069	100.0
194.05421	1.7
298.04395	0.5
353.07904	0.2
392.87357	0.3
397.14828	1.0
415.10510	0.4
415.15842	0.7
471.28915	0.3
505.38647	0.3
589.95111	0.3
591.20770	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	591.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43632	0.5
59.01384	2.8
71.01402	1.4
85.02967	1.1
88.98793	0.5
93.03457	1.2
98.22728	1.1
106.51770	0.7
109.02977	1.3
113.02466	1.0
113.58398	0.5
119.05082	0.6
121.02961	4.9
121.03703	0.8
122.03806	3.0
123.00886	1.4
123.04539	0.6
125.02518	1.2
126.22350	0.6
134.03691	0.7
135.04518	1.2
136.01675	29.7
137.02477	4.2
140.98471	0.6
149.06093	0.6
151.00391	14.2
151.04022	40.1
152.01158	0.9
152.04820	1.1
159.04541	0.7
160.05399	0.6
160.37305	0.5
163.04047	1.4
166.02734	41.6
167.03401	1.9
175.04022	1.3
175.07646	0.8
177.01929	1.7
177.05640	0.7
179.03500	0.8
181.05083	44.8
182.05412	1.2
184.19392	0.6
191.03589	0.7
192.04272	1.0
193.05013	0.8
218.65793	0.6
329.10394	1.4
341.13937	0.7
357.09769	9.0
372.12134	6.6
373.12833	0.6
387.14520	100.0
388.14859	6.2
547.28241	1.4
591.17542	1.9
591.26575	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	591.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.1
59.89672	0.2
61.98823	0.4
64.13285	0.2
65.00359	0.3
71.01388	2.3
71.41562	0.2
72.99285	0.3
73.02949	1.2
83.01419	0.2
85.02953	1.4
87.00867	0.3
89.02454	1.9
89.03976	1.9
90.61414	0.1
95.01425	0.3
95.09664	0.2
99.00892	3.6
101.02435	1.1
104.02708	0.2
106.04255	0.4
113.02452	2.1
116.92847	0.3
117.03475	5.6
119.03487	0.4
119.05032	0.9
131.03514	0.5
132.02185	2.8
133.02995	0.4
134.03757	82.1
135.04079	1.4
137.02444	0.5
143.03476	0.3
149.04695	0.4
149.06090	7.0
160.01669	8.6
161.02344	0.3
161.04497	0.4
175.04021	11.1
178.02728	1.7
191.05621	0.4
193.05072	100.0
194.05368	2.1
248.35646	0.2
360.33865	0.2
367.10254	0.2
397.14963	0.9
415.10379	0.2
415.15869	0.8
502.24960	0.2
591.20880	2.6
592.21643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	22.7
68.46477	19.7
69.62273	34.8
69.62613	68.8
78.95910	100.0
91.15736	19.8
102.82307	22.1
152.99556	37.5
168.70183	22.4
194.93721	35.5
217.49406	20.7
229.35805	26.7
268.97589	61.6
307.29083	22.4
311.88824	20.0
323.23581	26.6
333.16928	21.4
347.81589	24.9
449.79358	23.5
457.16873	26.9
543.14844	22.8
573.44733	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	591.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14687	0.5
59.93040	0.7
61.20351	0.6
61.98835	100.0
76.29339	0.6
122.02512	4.6
141.23660	0.8
280.72528	0.6
284.03375	1.1
289.14581	1.3
468.20642	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	591.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26348	1.8
52.05698	2.3
52.25301	2.0
57.03455	2.5
59.01387	100.0
61.98831	5.3
68.89817	2.0
69.91618	5.7
71.01386	60.9
72.99306	3.4
73.02958	2.5
77.88273	2.0
81.76672	2.2
83.01393	4.0
85.02960	10.6
87.00879	2.9
89.02458	61.3
94.01581	2.1
95.01381	4.0
96.96027	2.8
99.04539	8.5
101.02460	29.2
111.04545	2.2
113.02461	27.7
119.03519	26.9
119.05020	6.7
128.03532	2.7
131.03528	2.5
133.02989	3.0
135.04486	2.5
143.03488	5.0
145.06494	2.3
157.06573	2.7
161.02484	2.7
161.04591	9.6
161.09789	2.2
161.13365	18.0
166.22908	2.2
167.03412	3.5
169.10316	3.4
175.85922	2.1
179.05617	18.0
186.49118	2.4
187.11316	46.0
205.12331	54.9
209.06839	2.4
229.12326	9.8
231.10216	4.3
247.13295	3.8
249.11324	87.1
291.12405	4.8
299.01846	3.4
300.02725	2.6
351.14490	2.4
383.60263	2.1
385.18695	11.2
411.16571	15.9
429.17667	59.2
591.23871	4.2
608.80438	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	591.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78011	0.5
59.01383	2.7
61.98836	6.9
69.41473	2.6
70.47308	0.5
82.87872	0.4
85.02967	0.6
93.03458	0.6
108.09432	0.4
117.03498	1.2
119.05042	2.9
120.70029	0.5
127.12592	0.5
135.04530	0.8
142.27419	0.4
223.11380	0.8
228.24872	0.5
234.70302	0.5
240.11588	0.8
253.08722	1.1
255.13954	1.1
267.10306	19.8
268.08298	0.9
268.11047	13.4
269.11523	1.0
283.13397	4.5
284.03241	2.0
293.12192	0.6
294.12634	1.3
299.16455	1.0
309.14893	1.2
311.12903	7.6
312.13693	24.4
313.13940	1.4
326.15244	1.0
327.16037	65.7
328.16382	3.9
345.17044	8.1
346.17499	0.7
387.18158	100.0
388.18542	5.3
404.86789	0.5
427.20432	0.5
514.20898	0.5
531.22137	0.9
591.24475	18.1
592.25171	1.3
602.53015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2618
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.77897	1.0
62.88120	1.0
68.49109	0.9
70.58412	2.2
74.18977	1.0
76.55738	1.0
94.40947	1.2
109.42824	1.1
133.04964	1.0
244.30850	1.0
272.87021	1.0
300.63187	1.0
459.22192	2.4
471.21463	1.9
482.21201	1.5
485.19708	2.2
487.24854	1.6
497.23380	3.9
499.21332	3.1
500.22403	13.4
515.24591	100.0
516.24963	6.9
559.23523	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	591.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03453	1.2
58.00591	1.4
59.01387	100.0
65.80775	0.8
69.03458	1.0
71.01390	48.7
71.39915	0.9
72.99310	2.8
73.02953	24.6
75.00887	1.8
83.01402	7.8
85.02968	13.5
87.00875	2.6
89.02457	41.6
95.01390	4.2
96.95992	2.2
99.00902	1.8
101.02457	37.7
112.95457	0.9
113.02466	34.6
119.03525	14.6
125.02497	1.9
131.03520	4.3
134.40404	0.9
135.04561	2.1
143.03506	5.6
143.04556	1.6
149.04579	4.3
161.04594	13.6
177.12770	0.9
179.05673	9.1
189.12898	1.4
192.24307	1.1
207.13940	21.4
221.06647	1.9
241.65637	1.0
265.61475	0.8
276.92041	0.9
285.04248	1.0
365.03256	0.9
369.19159	1.7
397.09293	3.0
415.10245	2.6
436.62640	1.0
504.28934	1.1
531.25507	2.7
535.00885	1.0
549.25848	1.7
591.28113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.2
57.03442	3.3
59.01387	100.0
60.01725	1.0
61.98825	1.9
65.00306	1.1
69.03463	2.1
69.23724	4.7
71.01390	62.3
72.99294	1.1
73.02956	20.1
75.00885	1.5
78.91903	2.9
81.03484	1.1
81.29616	1.0
83.01401	13.4
85.02959	31.9
87.00877	4.0
88.58303	1.0
88.98798	1.9
89.02464	15.2
90.99651	0.9
95.01396	4.6
97.02971	5.1
98.22659	1.6
99.00875	7.1
101.02456	49.2
112.01619	1.1
113.02465	32.3
117.03537	5.4
119.03511	5.3
119.05013	2.9
125.02444	6.0
131.03497	1.7
135.04527	2.2
143.03490	4.5
159.02959	4.6
161.02502	1.5
161.04582	22.0
167.14381	1.5
179.05632	1.3
191.86566	1.1
193.12302	3.7
211.13316	5.9
221.06590	1.2
265.14377	2.6
283.05008	1.6
284.03223	3.8
285.03925	2.1
286.04791	1.3
321.17111	1.7
355.17661	3.0
363.31488	1.4
375.55911	1.1
383.10776	1.5
387.20190	15.7
388.20413	1.1
397.19003	1.2
415.19769	2.6
429.21014	2.4
517.23047	5.7
549.25629	39.3
550.25677	3.0
559.24042	5.3
591.26715	19.2
591.35303	1.6
592.22668	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01720	0.5
69.11623	2.6
71.05028	2.1
72.97774	0.4
76.44571	0.4
99.04523	3.0
108.02251	0.7
117.05590	22.4
159.06639	8.8
159.07880	0.7
172.35849	0.4
197.11919	0.5
239.10884	0.8
248.87109	0.5
283.02402	1.0
308.77234	0.4
311.16608	2.7
329.17627	0.5
343.79770	0.4
367.23065	0.5
436.99777	0.5
531.26025	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	592.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72185	11.7
65.99857	54.8
67.58971	10.5
69.05839	79.1
98.22627	28.0
113.31895	12.1
113.43959	11.4
146.96260	10.6
171.04475	12.7
175.99916	33.2
213.61694	11.7
214.19505	13.7
222.84789	13.6
255.06662	23.2
259.35297	11.6
268.06274	13.3
269.04507	18.2
270.07645	17.8
280.06192	100.0
281.06503	33.4
540.09906	11.2
548.13403	77.6
549.14172	79.5
592.14105	15.1
593.14807	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	592.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
64.60582	6.2
69.08633	45.4
71.18233	7.5
73.79496	6.7
96.96014	11.3
98.22678	16.4
117.05575	23.5
139.25389	7.3
159.06763	7.7
186.86507	8.2
468.11542	7.5
504.86887	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	592.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21469	30.0
58.81795	35.9
60.29424	30.0
61.98825	32.6
78.95905	43.6
98.21890	100.0
115.04041	41.7
392.54697	33.7
496.48013	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50896	2.9
65.00328	12.2
69.03434	2.6
69.06007	13.9
72.99310	2.9
75.02433	2.5
79.01926	3.5
83.01393	3.0
88.42186	2.6
93.03458	4.2
95.01398	14.9
97.02962	9.7
105.03462	4.2
107.01419	20.9
108.02185	18.3
110.00108	4.1
111.00910	7.8
115.97208	2.8
119.01413	8.7
120.02171	12.1
121.02961	5.2
123.00908	11.2
124.01659	11.5
125.02461	7.1
131.01405	5.7
135.00835	6.5
135.04559	6.1
136.01674	28.6
136.98805	5.1
137.02507	2.9
139.00342	3.2
141.07167	3.1
147.00896	7.1
149.02444	8.9
150.03152	3.3
151.00339	7.2
152.01205	7.0
163.00392	16.9
163.04050	4.9
164.01166	45.4
164.98283	4.2
165.01924	8.1
171.04500	6.4
171.08171	3.1
175.00401	9.0
175.04074	4.3
190.02628	2.7
190.99936	4.4
191.03569	9.0
192.00671	49.5
192.97926	3.3
193.01424	8.4
202.99806	5.7
209.06070	5.4
209.19194	2.5
211.07724	3.9
218.99355	5.8
219.02921	3.2
225.05612	6.7
227.07034	4.5
235.07623	4.8
237.00427	15.0
243.06619	17.3
251.07138	7.9
253.05038	15.2
253.08812	7.4
255.06696	3.4
267.06653	11.8
268.07394	20.3
269.04550	8.6
269.08170	5.5
271.06128	32.6
279.06470	12.5
281.04730	5.0
295.06067	12.5
296.06909	86.0
297.07553	11.0
300.06354	18.8
307.06128	11.8
313.07272	4.6
323.05542	10.5
325.07074	5.1
340.05521	5.1
341.06964	12.1
351.05118	15.2
355.08261	3.1
369.06262	7.0
399.07202	10.4
430.36401	3.1
503.13553	100.0
504.13806	8.8
531.13348	4.5
575.11926	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00349	0.3
69.76127	0.8
77.04008	0.5
83.01438	0.2
120.02174	3.0
121.02967	100.0
122.03297	1.5
136.00432	0.6
136.01686	0.3
145.06616	0.4
151.00404	0.3
163.99905	0.5
165.01936	4.8
171.04494	0.3
179.04919	0.3
180.05824	0.3
181.06599	2.0
197.06062	2.1
199.07779	0.3
207.04503	0.5
207.08043	0.3
209.04561	61.9
210.04910	1.7
213.05679	0.4
223.03989	0.4
225.05573	2.0
233.05673	0.3
251.06914	0.3
255.06610	2.5
257.09604	0.5
268.06158	2.0
275.02771	0.3
301.08557	0.4
313.07263	2.0
324.12354	2.0
337.12097	1.4
357.06091	0.9
383.07831	1.5
401.08566	0.3
417.09824	1.1
461.29102	0.3
496.24615	0.3
505.11475	3.2
549.10461	7.3
550.10645	0.3
563.85468	0.3
593.12518	10.4
594.13025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
50.43287	0.6
57.36732	0.8
69.18008	0.8
69.27373	0.7
71.15867	0.9
73.87121	0.6
87.46930	0.6
93.03455	2.0
95.00790	0.6
96.41272	0.6
117.03465	4.9
119.05037	1.2
135.04489	1.7
157.45581	0.8
159.04541	0.9
161.02422	1.9
163.03996	0.9
171.23146	0.7
175.04071	1.0
177.05627	1.0
189.05579	0.9
191.03452	1.1
282.05499	1.6
283.06116	2.5
295.06177	4.7
296.06903	4.6
297.07721	17.9
307.06189	2.1
309.07703	1.8
311.05798	3.1
323.05484	3.0
324.06311	1.5
325.07187	8.9
328.05939	1.4
335.05545	1.5
337.07047	2.8
337.11417	0.8
342.83875	0.7
351.04807	0.9
353.06686	44.7
354.07138	2.5
355.08466	0.8
356.05438	0.7
365.06729	6.2
383.07733	24.9
384.07773	1.0
395.07642	2.3
413.08777	2.5
425.08899	1.8
473.10934	15.0
474.11478	1.1
503.12100	4.1
575.14038	1.6
593.15143	100.0
594.15576	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	593.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.7
71.01405	2.8
73.02963	1.1
75.73391	0.6
83.01374	0.9
85.02958	1.5
89.02459	1.2
96.96014	0.8
99.00862	1.1
101.02486	1.0
107.20071	0.5
108.02190	54.8
109.02962	16.5
117.03490	3.1
119.05019	1.2
121.03038	0.7
132.02185	1.1
133.02977	1.1
134.03764	28.2
135.00795	0.6
135.04547	7.1
149.06105	1.9
151.03995	1.5
152.01173	100.0
153.01967	3.0
160.01668	4.1
161.02502	5.3
162.03238	2.5
163.04008	2.2
175.04008	3.5
177.05563	3.4
179.03549	8.3
193.05080	8.4
207.02864	1.5
208.02867	1.3
241.07257	2.6
254.02512	1.5
285.06317	0.9
399.09372	14.7
409.67429	0.7
417.10452	41.1
418.10828	0.8
441.20395	0.6
593.15179	64.1
594.15698	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	593.152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40190	0.2
57.03461	0.2
59.01394	1.6
59.76654	0.2
63.02404	1.9
65.00325	2.1
65.00616	0.3
67.83833	0.2
69.62399	0.6
71.01396	0.8
73.02967	0.3
73.21513	0.2
78.95927	0.2
83.01402	0.7
83.81453	0.2
85.02975	0.4
86.98935	0.2
89.02441	0.3
89.42229	0.2
93.03468	0.9
101.02463	0.5
105.03519	0.3
107.01399	3.8
113.02463	0.6
117.03478	7.2
119.05049	0.8
121.02982	0.8
135.04556	0.5
136.45627	0.2
147.00867	0.2
149.02451	2.8
151.00388	2.9
155.05072	0.2
157.06593	0.2
159.04572	1.7
161.02460	2.1
163.03996	0.5
168.05850	0.3
169.06639	0.9
171.04518	0.4
180.05850	0.2
181.06601	1.2
183.04514	2.9
196.05280	1.1
196.64783	0.2
197.06078	1.7
199.03981	0.4
201.05545	1.0
213.05579	0.4
224.04832	0.9
225.05589	4.1
227.03529	0.6
240.04234	0.3
241.05168	0.3
267.03098	0.2
268.03748	0.5
269.04575	100.0
270.04929	2.5
274.94733	0.2
305.95047	0.2
311.05661	0.9
465.21115	0.2
509.01437	0.2
513.43427	0.2
593.15179	36.3
594.15533	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	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38390	1.2
57.03419	1.2
57.24247	1.2
59.01380	10.9
61.98822	1.7
67.24867	1.4
71.01372	3.5
72.99303	1.3
77.84316	1.1
78.03484	1.1
85.02952	2.5
89.02453	1.4
93.03468	36.7
97.60421	1.1
99.00865	2.6
101.02441	2.8
108.02180	25.3
109.02972	24.6
113.02448	2.4
117.03455	1.5
119.04961	4.5
121.02948	1.4
122.02480	7.0
123.00865	2.7
123.04507	1.4
134.03769	16.4
135.04462	4.3
136.04068	1.7
137.02460	100.0
138.02815	1.3
145.02974	1.2
149.06010	1.4
151.03957	1.6
152.01161	43.8
153.01950	9.1
160.01649	1.8
161.02420	5.9
162.03255	12.4
163.04007	2.6
175.03893	1.7
177.05595	15.1
179.03468	5.1
193.05003	4.4
197.04564	2.0
285.06219	3.2
356.61499	1.3
359.14865	3.4
383.19135	1.5
399.09244	9.1
413.14053	1.6
415.12213	2.1
417.10403	19.2
470.22076	2.0
549.29041	3.6
551.17279	4.1
593.15045	56.2
593.25214	2.7
594.15924	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	593.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92177	2.8
59.01377	7.4
65.00327	6.5
65.50358	2.6
65.99844	8.2
68.99827	2.8
69.37483	6.0
69.37889	6.4
71.01369	2.9
74.89697	2.6
81.03439	2.5
98.02485	7.6
98.21935	4.8
99.02418	2.3
109.02957	2.6
110.02469	3.5
111.30606	2.2
120.00922	3.9
122.02547	3.1
131.05023	5.4
131.05937	2.5
133.04016	3.1
134.02452	7.9
134.03452	2.7
135.00897	2.9
135.03310	2.6
135.20911	2.4
136.00385	5.6
137.03603	2.9
145.06506	2.5
157.06529	3.3
162.02014	4.2
164.98270	3.3
165.00655	5.4
171.04549	13.2
173.06058	9.1
175.99890	6.0
177.04353	3.5
178.03825	2.6
185.06128	5.4
189.04239	7.0
189.05673	6.2
191.04636	2.6
199.03973	8.2
200.03311	2.5
201.05580	11.1
213.05592	6.9
215.02155	4.0
219.04047	2.7
226.08803	3.2
239.03461	9.5
240.04364	3.4
241.05183	3.3
242.08235	31.9
245.03285	11.3
252.06659	2.8
253.05034	3.0
255.06691	22.7
268.03656	3.6
268.06223	8.5
269.04593	6.0
269.07074	3.3
270.07709	47.9
271.01224	6.4
280.06168	14.4
283.06314	2.7
285.04260	2.9
288.03854	9.9
294.07932	5.6
304.09741	2.9
313.09149	2.8
322.07156	3.9
328.09631	2.6
329.17542	3.3
337.08258	25.5
342.87411	2.4
349.09396	9.5
351.09720	6.9
353.11252	8.1
358.07794	2.7
368.22571	2.7
375.07068	3.3
380.63968	2.5
381.08398	3.2
391.09360	8.7
392.10147	100.0
393.10953	25.1
403.09183	7.0
405.11050	14.5
417.11066	4.9
421.10767	2.9
498.85574	2.6
521.17261	9.3
565.16498	7.3
575.14252	9.6
593.15759	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51947	1.1
58.71091	1.1
65.00328	6.3
65.99850	2.1
68.99825	1.8
69.05527	6.0
71.75286	1.2
76.53011	1.1
81.03452	5.3
84.44412	1.2
98.22715	2.1
109.02948	1.9
110.02415	1.4
112.73512	1.1
120.00876	1.8
121.02968	2.1
124.01640	1.7
124.04046	2.4
136.00385	3.5
136.98840	1.7
137.63968	1.0
147.66693	1.2
151.00429	1.6
163.00365	2.1
163.99911	2.4
165.00636	2.2
169.06548	1.9
171.04477	5.7
172.04915	1.4
173.06081	1.6
182.06087	3.0
184.07706	1.3
201.05571	2.3
206.09785	1.6
208.07555	1.4
209.04343	1.0
210.05612	1.9
213.81595	1.2
224.07268	1.7
225.05540	1.2
232.07716	2.0
236.07382	1.2
242.08159	3.7
243.06589	1.7
248.07146	2.9
248.10815	3.1
250.08694	3.1
252.06757	6.0
253.05135	2.2
255.06590	3.7
256.07010	1.4
267.06760	1.7
268.06067	5.3
269.04391	2.2
269.06979	2.1
270.07593	5.5
271.06152	3.9
272.10983	1.8
274.08688	1.9
276.06613	3.8
279.06525	1.3
280.06128	2.6
281.06302	1.6
289.13486	1.3
291.11884	1.4
294.07715	3.1
296.05893	1.5
307.10843	2.5
310.07242	2.0
314.11771	1.5
323.05624	2.1
324.12329	2.7
333.12418	4.0
335.10251	5.7
348.09048	1.6
362.06683	2.7
380.12982	4.2
398.13895	10.0
417.95389	1.5
445.10782	1.4
462.17117	1.7
463.16443	1.8
466.12906	28.9
488.14999	1.7
489.09332	1.8
503.13208	2.3
505.17413	2.7
532.14294	2.1
549.16724	100.0
549.72546	1.4
550.16663	8.9
576.13385	2.1
593.15607	36.4
594.15625	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	593.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06357	0.6
62.92442	0.5
63.02397	2.1
64.01915	0.9
65.00327	12.3
65.99848	1.4
68.01408	0.6
68.99822	0.7
69.74332	0.6
69.74671	1.8
78.95911	14.1
78.96342	0.5
80.37272	0.5
83.01390	4.8
86.02483	6.9
96.00917	3.9
96.96951	3.1
107.01402	10.6
108.00941	1.0
109.02924	0.9
112.21038	0.6
118.03012	0.9
120.00931	1.0
127.05547	0.8
133.02997	0.9
134.02435	0.6
136.00412	31.7
137.00787	0.5
141.07112	1.0
145.06621	4.1
146.02518	3.3
148.00400	0.7
151.00385	27.4
152.99602	22.3
162.01862	0.8
163.99916	28.9
164.01054	1.1
169.06610	3.3
171.04567	6.2
172.05324	0.8
177.01956	5.0
183.08188	1.4
185.06071	1.8
187.07556	1.2
187.99913	1.6
190.01494	5.1
198.05569	1.6
200.07188	0.8
203.02209	0.7
205.37454	0.5
211.07594	3.4
212.03534	0.5
213.05591	10.3
215.99367	2.3
216.03056	1.0
223.00127	1.9
224.07216	3.9
225.05605	1.0
226.05142	2.6
227.07169	1.5
239.07144	0.6
240.06743	2.0
241.01227	6.3
242.08202	1.0
246.03442	0.5
252.06694	5.4
253.05040	0.7
254.05867	1.3
255.06641	91.1
256.06943	3.1
264.06522	1.1
266.08334	1.3
268.06155	50.4
269.06418	1.5
270.07715	0.9
277.21695	10.6
278.04538	0.9
280.06323	1.1
281.08243	3.3
292.06067	2.0
292.09320	0.7
294.07730	19.7
295.08374	0.7
315.04892	3.4
320.05640	8.0
324.08817	0.7
336.08795	0.9
337.08401	2.7
366.40393	0.6
402.06079	1.0
443.34113	0.7
485.32816	0.5
488.11200	0.7
506.12170	2.9
532.14899	0.7
545.23138	0.5
550.15118	56.1
551.15472	7.3
593.15735	100.0
593.27155	14.0
594.16010	10.2
594.26385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1883
Annotation	CHEBI:68344
Peak:m/z	Relative Intensity
50.59494	0.3
55.66403	0.3
57.03442	0.7
59.01382	8.4
61.51886	0.3
65.00376	0.4
69.77644	1.4
71.01391	3.8
72.99313	0.4
73.02960	1.6
83.01407	0.4
85.02962	1.6
87.00921	0.4
89.02453	4.8
89.03965	0.4
91.05510	0.4
95.01385	0.6
96.95985	0.5
98.02406	0.4
99.00885	5.2
99.92628	0.6
101.02451	2.3
107.05064	2.8
113.02451	2.9
115.92060	0.7
117.03494	1.5
119.03522	1.1
119.05033	2.7
119.85712	0.3
125.02471	0.8
129.39616	0.3
131.03505	0.5
132.02179	1.0
133.02968	17.6
134.03751	8.6
134.04726	0.6
135.04535	100.0
136.04884	2.3
137.06082	0.5
141.11835	0.4
149.04619	0.5
159.13638	0.4
160.01746	0.4
161.02457	54.7
162.02811	1.2
167.03546	0.4
176.04814	0.6
179.03508	67.6
180.03831	1.2
191.05609	0.9
192.99664	0.7
193.99838	0.5
195.06535	0.4
229.95935	0.4
269.04489	0.9
294.39951	0.4
299.11429	0.8
319.02917	0.7
339.08319	0.4
357.13412	1.4
401.12448	0.4
431.15683	3.0
491.01614	0.4
494.24844	0.4
539.64667	0.3
593.18829	42.9
594.19147	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	593.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80494	0.1
57.03466	0.1
59.01383	2.9
61.55682	0.1
63.02394	0.3
65.00331	1.9
69.60255	0.1
71.01387	1.3
72.99321	0.1
73.02948	0.7
83.01414	0.3
85.02970	0.9
86.12198	0.1
87.00878	0.1
91.01901	11.7
92.02227	0.1
95.01395	0.4
99.00896	0.4
101.02464	0.8
102.69275	0.1
107.01447	0.1
108.02178	8.5
109.02975	0.3
111.00862	0.8
113.02452	0.6
122.41981	0.1
123.00906	0.4
123.04533	31.5
124.01698	0.7
124.04848	0.6
125.02416	0.1
143.03494	0.1
152.01163	3.9
161.04567	0.4
167.03505	100.0
168.03848	2.1
190.02821	0.1
223.05927	0.1
269.10324	0.4
285.04004	0.1
295.33801	0.1
381.76440	0.1
383.13507	0.6
387.16626	0.1
401.14426	0.2
425.14496	0.2
443.15436	0.4
593.18939	0.5
595.31348	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	593.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.3
59.01384	2.6
65.00315	1.3
65.99871	0.2
67.01849	0.3
71.01392	2.1
73.02935	1.5
73.13530	0.2
83.01399	0.5
85.02959	1.4
85.55908	0.2
87.00902	0.4
89.02493	0.2
90.92265	0.2
91.01903	10.1
95.01357	0.5
99.00893	0.7
101.02455	1.5
107.01376	0.3
108.02183	6.9
109.02941	0.3
111.00906	0.9
112.01646	0.5
113.02469	1.1
115.64827	0.2
123.00931	0.5
123.04536	30.0
124.01662	0.6
124.04841	0.5
152.01152	2.6
153.01964	0.2
161.04567	0.9
163.29333	0.3
167.03506	100.0
168.03873	1.6
269.04776	0.3
269.10300	0.6
271.06091	0.3
285.04102	0.5
383.13419	0.3
401.14764	0.5
533.16669	0.7
549.16248	1.2
551.17816	2.7
561.17578	0.4
593.18726	0.5
614.03986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54143	16.0
62.65455	18.4
69.08800	100.0
69.09209	46.4
76.24270	16.7
80.89034	16.5
87.54985	16.1
89.28111	15.5
91.33167	16.9
98.21879	34.0
109.44228	16.2
114.50448	17.2
271.14301	16.6
403.27917	17.2
442.77853	20.1
495.86694	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	593.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29198	3.1
59.01382	8.4
63.22980	2.9
65.00319	2.9
78.91888	6.5
79.95753	2.9
80.96534	9.3
81.78480	3.0
94.98104	3.8
113.02485	2.9
113.89002	3.5
115.04008	5.8
117.03461	5.8
119.05042	11.3
120.02180	4.4
121.02971	100.0
122.02484	9.4
135.04536	7.0
151.95100	3.8
165.01884	5.2
193.13205	3.4
209.04587	54.2
221.61841	3.0
251.75880	3.1
264.61603	3.3
281.05698	3.6
323.54495	3.2
436.96936	3.5
459.21606	3.7
534.19043	4.6
545.84204	3.8
576.96606	3.4
593.13336	9.1
593.25964	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03664	0.5
57.03465	3.4
58.00603	0.8
59.01385	24.9
66.51389	0.5
69.15662	1.3
69.16064	2.8
71.01388	27.7
73.02947	2.1
74.12988	0.6
82.64829	0.6
83.01413	1.3
85.02957	26.9
87.00884	2.2
89.02453	10.0
89.32603	0.6
95.01395	10.6
101.02450	5.0
107.05057	0.7
113.02462	47.8
113.23060	0.6
114.02824	0.6
118.97057	0.6
119.03508	1.9
123.04523	2.1
131.03532	3.6
134.03761	0.8
135.04538	37.3
143.03528	1.2
149.04587	1.3
153.05563	1.7
161.04556	2.3
177.05623	0.6
191.05573	1.3
225.37096	0.6
227.51237	0.6
231.48524	0.5
233.06635	0.6
270.39697	0.6
297.09860	1.4
315.10800	3.1
344.47617	0.6
391.86884	0.6
400.90167	0.5
461.16663	16.2
462.17212	0.6
593.20917	100.0
594.21478	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	593.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04192	0.6
57.03456	0.5
59.01389	43.6
65.46663	0.6
70.06628	0.5
70.06990	1.7
70.47849	0.5
71.01389	9.3
73.02994	1.1
73.69603	0.6
82.80826	0.6
83.01404	0.7
85.02988	2.5
87.00916	0.9
89.02463	6.5
93.03510	0.7
95.01437	1.0
96.95992	0.6
101.02447	7.0
106.67234	0.6
113.02457	3.0
119.01418	1.1
119.03540	2.3
121.03018	1.5
122.66900	0.5
126.82914	0.5
135.04607	1.0
147.00841	0.7
148.01663	1.4
149.02460	12.9
150.03249	2.7
161.02472	1.0
163.04112	1.5
163.11319	3.3
164.04803	9.1
165.05573	0.8
175.00354	9.7
176.01155	8.9
177.02010	1.7
179.07191	1.8
190.02736	23.6
191.03516	11.7
192.04027	0.8
194.02211	0.6
196.02426	0.6
205.05070	23.8
206.05843	1.6
207.10316	7.6
208.03889	0.8
209.04506	1.7
221.08159	2.1
223.06117	7.8
237.07820	0.5
259.32510	0.6
265.07098	3.6
285.35333	0.6
289.07782	0.7
295.08392	0.8
325.09518	1.3
369.15637	2.6
387.16641	100.0
388.16968	5.0
519.18958	2.0
533.20575	1.3
561.19446	2.0
593.22473	34.4
594.22321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29203	0.7
59.01385	13.5
61.98816	1.9
65.00330	2.2
69.16302	3.2
71.01397	3.8
73.02940	4.8
74.73024	0.6
83.01386	0.9
85.02970	1.5
89.02467	0.9
93.03429	0.8
95.05044	0.7
98.21900	1.5
101.02443	3.7
105.92747	0.8
108.02164	0.9
110.00090	1.0
113.02456	2.0
114.43755	0.7
117.03493	2.2
119.05019	3.8
130.08701	0.7
135.04556	1.7
136.98792	2.0
137.02423	0.8
137.06184	0.7
139.00389	1.6
145.02974	3.1
149.02461	2.2
150.03223	0.8
153.01953	0.8
157.06613	0.7
161.02554	0.7
161.04567	0.7
163.04054	0.7
163.98067	0.8
164.98285	1.0
165.05585	2.6
165.99138	0.7
166.99954	0.9
183.04535	1.3
185.06100	2.1
187.04071	0.8
190.02785	0.9
205.05043	1.7
211.03979	1.8
213.05618	1.9
234.01999	0.7
239.03532	2.7
241.04869	0.8
257.04736	1.0
267.02985	1.4
268.14401	0.8
283.17081	2.4
284.03204	1.2
285.04065	100.0
286.04425	6.7
299.16556	2.0
301.18201	1.1
317.17627	1.9
327.16071	3.0
345.17032	2.4
357.22879	2.7
399.10883	1.0
436.93866	0.7
461.21957	1.3
463.23264	1.2
479.22708	1.9
489.21219	3.5
505.24539	20.6
506.24942	1.3
507.22244	2.5
520.22998	0.8
521.23926	1.9
549.23352	38.2
550.23767	2.3
593.12927	7.6
593.26544	1.3
594.13586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69848	0.6
59.01392	1.2
60.48198	0.5
64.83400	0.5
65.59956	0.5
71.01387	0.7
82.14252	0.5
88.92375	0.5
93.03457	0.8
96.96019	1.5
98.22676	2.0
108.02176	0.9
113.02377	0.6
121.02970	2.6
136.05299	0.9
137.02448	1.9
145.02972	1.8
147.04527	2.4
152.01137	0.6
163.04028	4.3
173.06033	0.7
174.03226	3.0
175.02512	1.0
175.04019	16.1
176.04765	2.7
177.05597	2.0
178.31990	0.5
179.03540	1.1
180.04280	3.1
188.04871	2.7
189.05554	5.9
190.06378	21.2
191.07132	11.9
192.04364	1.0
193.05086	4.7
194.05829	2.9
203.07207	2.0
204.07895	0.8
205.08722	17.2
205.10637	0.9
205.35153	0.6
207.06674	4.3
208.07419	20.7
222.08966	5.4
223.09792	1.7
261.43961	0.6
292.42068	0.6
341.54633	0.7
344.12766	2.9
359.15018	100.0
360.15356	6.1
376.02203	0.6
389.16040	2.0
452.21393	0.7
458.67651	0.8
593.14404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	30.9
61.98828	12.4
71.01373	9.9
71.57456	2.6
73.02937	5.2
78.95908	3.1
82.95432	25.4
85.02946	6.4
93.03472	2.9
94.28671	2.6
96.96012	4.9
99.00848	3.6
101.02425	4.1
113.02448	8.6
117.03486	14.2
119.05046	49.3
120.05378	3.1
133.02882	3.0
135.04543	4.1
145.02982	3.6
161.04581	2.9
166.01616	2.5
167.01862	3.4
175.04024	4.8
187.93469	2.7
196.02513	6.0
262.13925	2.7
271.13394	54.7
297.14957	8.5
313.14252	4.2
315.16040	41.3
316.16495	3.3
334.90997	2.9
345.17081	100.0
346.17456	4.2
389.19601	3.4
440.83533	2.7
465.24292	3.2
489.34479	15.2
549.23505	46.9
550.23315	3.9
592.73145	4.0
593.13171	3.2
593.24365	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	593.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81720	1.1
63.94118	1.1
65.00330	5.0
75.34109	1.1
78.95927	5.4
84.03897	1.0
110.00132	3.6
117.03494	6.6
119.05056	2.3
135.00868	2.8
136.98796	6.7
152.99593	8.3
161.02463	2.0
163.00383	12.9
164.98288	2.1
165.99112	2.0
183.04507	2.7
185.02393	1.4
187.04037	2.4
199.04105	1.5
200.04851	2.1
211.04056	2.4
214.02798	1.4
227.03508	5.0
228.04292	1.9
241.01280	2.0
255.02966	10.3
277.21710	4.8
283.02512	51.3
284.03302	100.0
285.04022	13.8
315.04694	1.1
347.09662	1.2
430.65668	1.1
455.11926	1.2
584.55530	1.2
593.27545	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	593.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	7.3
69.06295	34.9
78.91914	9.0
78.95921	6.3
87.96959	4.8
98.22601	16.1
115.04021	100.0
122.02492	95.5
136.26323	5.2
152.99651	9.1
154.31570	5.2
157.91524	5.2
197.20119	5.1
329.17636	14.9
550.24731	10.4
573.30133	5.9
593.26819	9.4
598.83215	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07615	1.7
59.01391	7.7
63.94059	1.6
65.09628	1.6
65.95664	1.5
71.05006	2.7
75.59218	1.6
76.45394	1.7
78.03498	2.0
78.72856	1.4
78.95910	17.2
80.10764	1.4
87.00897	1.9
96.96969	2.7
99.04524	2.7
109.53800	1.7
115.04015	29.2
117.05590	23.1
119.05023	3.7
122.02501	100.0
143.62564	1.5
152.99620	21.0
159.06630	3.5
178.84874	1.8
195.06522	3.8
223.77666	1.7
237.13780	1.7
237.16174	1.5
241.01152	2.2
277.21762	4.9
284.03394	2.8
296.16672	1.7
299.16422	1.7
311.16507	2.2
335.04691	1.7
427.20990	1.8
451.86853	1.6
464.30325	2.0
471.24234	2.0
593.27496	12.9
594.27386	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	593.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49429	1.8
55.01874	2.0
59.01385	100.0
71.01391	16.2
73.02956	33.5
83.01395	7.6
85.02966	13.8
87.00880	2.1
89.02457	4.7
97.02962	41.6
98.22639	3.8
99.00887	2.8
101.02467	22.3
104.02758	1.9
104.76125	1.8
107.05055	2.7
113.02463	7.5
113.06112	2.9
117.03447	3.0
119.05042	8.8
119.08636	2.7
123.04525	2.5
135.04501	2.1
137.06084	7.7
153.09210	2.2
155.03499	2.1
161.04593	6.0
163.07745	2.6
173.62086	1.8
182.02293	2.0
182.24983	1.8
217.07259	3.2
235.08246	6.5
263.07498	5.6
267.17554	4.0
277.09229	3.6
285.18634	6.4
293.15558	3.3
311.16489	12.4
329.17593	60.1
389.19714	7.7
495.02350	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	593.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01130	0.2
59.01392	1.9
61.98837	0.3
69.08577	0.9
69.57011	0.1
77.88000	0.1
111.42187	0.1
117.03498	0.2
119.05032	0.5
120.75551	0.1
166.71609	0.1
201.05559	0.3
202.06377	1.7
246.09045	0.4
253.12297	0.3
255.10313	0.6
257.15475	0.3
259.09677	0.2
269.11920	0.7
270.12619	1.0
285.14990	17.5
286.15350	0.6
290.05029	0.2
299.12863	0.2
301.65399	0.1
311.16559	4.1
312.16968	0.3
313.14493	1.1
314.15283	0.5
327.15860	0.8
329.17603	37.8
330.17902	1.8
345.17078	1.2
371.18698	0.5
373.16586	0.8
388.18973	1.3
389.19717	100.0
390.20029	4.6
390.23984	0.1
391.25763	0.2
593.26074	17.2
594.26556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.0
69.11089	7.7
71.46738	1.2
78.95909	60.6
96.96982	11.3
97.47935	1.1
101.02434	1.2
102.16872	1.2
115.04132	1.3
119.05054	2.9
122.02477	3.1
135.04506	1.2
145.02937	2.3
150.98039	1.6
152.99600	100.0
171.00681	2.7
196.62790	1.4
215.68365	1.2
223.00156	9.0
237.20602	1.0
241.01224	23.1
255.03021	2.3
259.02173	1.6
277.21750	42.5
284.03226	2.7
293.29510	1.4
315.04883	20.1
338.36084	1.3
358.51920	1.3
447.23785	1.6
593.27380	89.6
594.28021	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	593.282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86463	1.8
57.03448	1.7
57.63799	2.0
58.48040	1.8
59.01384	76.3
61.98816	4.1
69.31315	5.8
69.31719	4.1
71.01381	15.3
73.02963	8.0
82.95422	3.0
83.01396	2.5
85.02964	4.4
87.00863	3.0
88.03577	2.0
89.00666	2.7
89.02460	9.4
101.02468	11.1
108.04516	1.9
113.02446	6.9
119.03530	2.8
119.05013	4.2
135.04611	2.4
135.08145	3.1
141.01711	3.9
149.02480	8.8
150.03252	2.5
152.01175	2.7
161.02426	4.4
163.11357	3.4
164.04767	5.2
167.03552	2.8
175.00424	7.7
176.01186	6.1
179.03542	3.2
189.05682	2.3
190.02763	15.8
191.03508	5.9
194.05803	2.7
196.02473	2.1
205.05060	14.7
207.10306	8.0
209.08096	4.3
223.06137	3.9
280.16840	1.8
283.13531	4.3
301.14481	5.1
309.20819	2.1
327.16162	3.0
327.21756	2.6
369.15402	4.5
387.16644	100.0
388.16986	4.0
445.18701	3.1
463.19705	3.1
489.21240	4.2
507.22223	10.6
533.22870	2.6
549.23303	51.7
549.29565	27.1
550.23193	3.0
593.22693	10.4
623.42731	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	593.282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86463	1.8
57.03448	1.7
57.63799	2.0
58.48040	1.8
59.01384	76.3
61.98816	4.1
69.31315	5.8
69.31719	4.1
71.01381	15.3
73.02963	8.0
82.95422	3.0
83.01396	2.5
85.02964	4.4
87.00863	3.0
88.03577	2.0
89.00666	2.7
89.02460	9.4
101.02468	11.1
108.04516	1.9
113.02446	6.9
119.03530	2.8
119.05013	4.2
135.04611	2.4
135.08145	3.1
141.01711	3.9
149.02480	8.8
150.03252	2.5
152.01175	2.7
161.02426	4.4
163.11357	3.4
164.04767	5.2
167.03552	2.8
175.00424	7.7
176.01186	6.1
179.03542	3.2
189.05682	2.3
190.02763	15.8
191.03508	5.9
194.05803	2.7
196.02473	2.1
205.05060	14.7
207.10306	8.0
209.08096	4.3
223.06137	3.9
280.16840	1.8
283.13531	4.3
301.14481	5.1
309.20819	2.1
327.16162	3.0
327.21756	2.6
369.15402	4.5
387.16644	100.0
388.16986	4.0
445.18701	3.1
463.19705	3.1
489.21240	4.2
507.22223	10.6
533.22870	2.6
549.23303	51.7
549.29565	27.1
550.23193	3.0
593.22693	10.4
623.42731	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	593.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87284	1.8
57.03450	3.8
57.97543	3.0
59.01387	100.0
61.98821	1.9
71.01392	47.0
71.40951	2.6
73.02946	5.4
75.95628	2.0
76.83578	2.0
78.95915	24.9
79.95737	3.2
83.01421	3.7
85.02974	17.5
87.00900	3.6
89.02456	55.2
95.01373	5.3
96.96021	45.6
96.96966	4.3
98.95586	3.5
99.00890	4.8
99.92596	6.1
100.93436	2.4
101.02449	32.5
106.67813	2.0
110.00083	3.0
111.00838	2.8
112.93833	24.8
113.02468	29.6
116.92875	32.0
119.03522	24.5
119.05045	5.2
120.88570	2.5
131.03522	4.1
134.03696	2.6
135.04550	29.0
136.98819	4.3
139.00438	15.2
140.01205	4.0
143.03494	7.9
161.02487	4.0
161.04578	6.6
164.98326	14.3
165.99057	6.6
166.99843	11.5
168.94662	3.3
175.02487	5.0
175.03938	2.9
179.05641	23.2
180.00632	3.0
197.04498	4.4
201.24640	2.2
204.92320	5.5
206.92006	31.0
207.07962	52.3
257.04465	2.8
284.03311	3.3
288.07050	2.6
297.07703	9.3
300.02640	2.8
301.03534	21.7
302.04391	16.8
325.07074	5.8
353.06729	26.4
383.07663	13.7
399.10913	24.5
400.11722	2.4
413.08548	3.6
417.11639	5.0
451.06079	2.7
470.96024	4.8
473.10596	11.2
478.07639	12.7
533.26025	33.5
551.26862	2.3
575.13885	6.0
592.97833	3.6
593.15143	56.4
594.15497	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	594.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97718	1.0
54.25916	1.1
59.01360	1.7
61.98834	100.0
68.10395	1.2
73.02947	3.1
98.21845	3.8
110.00109	1.5
151.92978	1.3
163.00375	4.8
165.99077	1.3
167.03459	1.3
184.05307	1.5
195.04718	1.1
196.05260	1.3
209.06100	1.4
211.04059	2.3
224.04913	1.4
239.03510	2.1
267.02994	4.1
268.03787	43.1
269.04327	4.5
281.04614	4.0
282.05243	1.4
283.06143	48.4
284.06506	1.1
293.04605	2.8
310.04517	1.6
325.07080	8.7
325.41116	1.2
344.30560	1.1
404.50311	1.1
564.69257	1.7
576.11035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52953	2.7
59.01384	3.2
62.02699	2.8
65.00341	7.3
65.99857	9.9
68.99832	4.3
69.07472	11.2
69.07877	5.6
78.02645	2.6
78.85892	3.0
83.01395	6.3
85.39388	2.3
90.77066	3.4
91.24864	2.7
95.01427	5.9
95.31689	2.7
96.00969	3.6
98.22636	5.7
110.02505	8.5
111.00911	4.7
120.00957	6.7
123.00890	2.6
135.03368	4.5
136.00447	11.7
139.00427	11.5
140.01212	6.2
141.05562	5.6
150.00681	2.7
151.00331	2.7
151.02759	3.3
163.43648	2.4
163.99937	8.3
165.00745	9.6
165.05626	6.7
168.22084	2.3
171.04552	9.5
173.06070	3.9
175.99867	3.0
193.05124	7.7
200.03578	3.1
201.05620	10.1
211.06055	14.0
224.07158	3.6
225.05582	6.3
226.08759	4.5
240.06804	4.2
242.08229	16.7
252.04358	14.6
252.06686	4.8
253.05182	9.6
254.05853	3.7
255.06723	10.8
268.06174	19.0
269.04501	3.4
269.07068	9.6
270.07733	46.4
270.10352	3.9
271.08124	4.2
276.06873	2.9
280.06299	8.3
281.07245	5.7
311.06631	2.7
322.07321	4.0
348.08884	5.4
352.11996	5.0
362.10495	3.6
380.12769	3.9
393.10635	4.2
433.02948	3.1
450.13693	9.8
504.18701	4.5
508.18015	6.4
522.11884	22.3
523.12775	57.1
524.13403	4.2
532.18170	8.5
543.26752	2.7
560.15491	3.0
576.16748	46.7
577.16724	3.4
594.17773	100.0
595.18085	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	594.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	8.9
78.95901	18.6
112.67799	9.4
134.78154	10.2
152.99567	14.2
163.00343	10.3
169.90440	9.4
255.02931	11.2
264.81320	10.2
283.02530	29.6
284.03320	100.0
523.43903	8.4
594.27631	15.1
621.33124	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	594.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95786	2.4
56.52581	2.4
57.03444	2.9
59.01386	70.9
61.29033	2.3
61.98832	11.2
71.01389	42.4
73.02945	4.8
78.95911	22.8
79.84521	2.4
81.76969	3.2
85.02968	22.4
87.00890	3.7
89.02452	46.2
89.02953	3.6
91.06480	2.5
95.01422	2.4
97.02959	45.8
99.00880	4.9
101.02451	28.9
113.02460	20.5
119.03529	21.9
119.05015	18.4
119.08728	3.1
123.04535	2.7
125.02399	2.9
135.04529	4.5
137.06097	14.8
143.03497	5.5
145.05046	3.0
152.99588	3.6
161.04607	27.8
161.83136	2.3
163.07697	3.9
171.00714	5.0
179.05608	15.7
214.35217	2.9
235.08253	33.9
255.26332	2.7
257.19122	2.4
267.17401	3.6
285.18607	9.7
293.15479	6.5
311.16586	16.5
329.17636	100.0
387.53140	2.9
437.30176	2.4
491.22760	4.7
594.30469	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	595.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
66.87656	0.6
71.01379	1.4
75.78294	0.8
83.01412	0.7
89.00675	0.8
89.02451	2.3
95.01369	1.8
97.02924	0.9
107.01349	1.1
107.04972	0.7
117.03477	1.3
117.18618	0.6
123.00879	10.2
124.01673	28.8
125.02464	19.8
133.02997	4.2
133.18623	0.6
134.03705	1.2
135.04535	29.0
136.68350	0.8
139.03999	0.8
149.02490	1.0
149.99596	42.1
151.00406	3.3
161.02452	12.8
162.03177	1.3
168.00652	87.8
169.01428	9.4
170.33827	0.7
177.05617	1.6
179.02069	1.2
179.03523	16.9
187.00340	1.1
204.50850	0.8
237.00888	0.7
239.05591	1.1
257.06555	1.1
269.04587	1.3
301.05655	3.7
312.02655	1.9
325.11044	0.8
343.12015	0.8
355.12051	1.1
362.17935	0.7
389.11035	0.9
390.57822	0.6
415.08929	1.2
433.09833	22.0
434.09909	0.8
551.14246	1.0
595.13037	100.0
596.13330	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	595.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59207	1.3
51.13564	1.1
59.01381	4.9
64.32504	1.5
65.50151	1.3
69.74871	2.3
69.75228	2.8
70.99609	3.8
71.01383	8.7
73.02942	2.4
74.99108	2.2
79.46283	1.2
79.95757	1.2
81.03458	2.9
83.01412	1.6
85.02963	2.8
87.00867	4.6
91.01914	2.2
93.46875	1.4
95.01382	2.2
96.15648	1.2
96.96016	1.9
101.02441	5.2
105.96955	1.4
107.01398	3.1
107.46207	1.3
108.02178	17.8
109.02958	53.5
110.00149	1.6
111.00870	2.6
113.02461	6.1
120.99676	12.0
123.00876	1.8
123.04544	16.4
124.01635	1.3
125.02429	2.3
136.01717	1.9
139.00323	1.3
145.02983	1.8
146.03749	24.3
147.04512	4.1
151.00404	4.6
152.01157	8.7
153.01950	90.7
161.04776	1.8
161.06087	27.1
162.38966	1.3
165.99120	1.6
167.03497	24.0
177.01877	1.8
179.01695	2.0
179.07039	3.0
180.02516	20.6
193.03346	1.6
194.04059	2.2
195.03044	3.2
195.04842	36.0
209.04633	1.7
209.06367	6.1
237.04140	1.7
243.06779	2.1
271.06152	3.4
283.06442	9.7
296.05301	1.8
297.06189	65.7
298.06470	3.1
301.03308	2.4
311.07770	13.5
351.51349	1.5
359.95242	1.4
391.13901	2.0
433.11581	4.1
445.11752	2.9
493.11768	8.6
507.13318	100.0
508.13489	6.6
551.24469	1.6
595.14783	30.0
595.28577	1.6
596.15375	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03456	1.8
58.45499	0.9
59.01382	15.0
62.41016	0.9
68.99798	1.3
69.03439	1.9
69.35839	1.0
70.42570	1.2
70.42907	1.4
71.01382	4.8
73.02991	2.1
81.03470	11.0
83.01394	9.6
85.02969	1.9
93.03475	1.9
95.01411	3.5
95.05054	6.4
97.02974	6.6
99.04536	5.9
103.55746	0.9
107.05054	2.1
109.02951	3.4
109.27888	1.0
111.04530	2.7
113.02429	3.7
119.05057	1.7
121.03004	5.0
121.06637	1.7
123.00923	1.1
123.04543	26.5
125.02464	29.3
133.06593	1.2
134.03763	2.1
135.04543	3.9
137.02472	10.3
137.06094	4.1
138.03241	1.6
139.04005	4.0
147.04546	1.3
149.02466	2.7
150.03191	4.7
151.04022	4.5
153.05548	3.0
155.03487	1.4
159.04562	1.1
162.03242	39.7
163.04002	2.7
165.01932	2.0
165.05550	6.7
166.02711	1.4
167.03506	38.5
168.03882	1.0
177.05600	55.7
178.02740	0.9
179.03539	10.0
181.05075	2.7
191.03543	2.8
193.05115	1.4
195.06622	3.3
197.04562	11.3
207.03000	1.5
209.04570	100.0
210.04916	1.7
218.25127	1.1
221.04570	3.2
239.05626	65.1
240.06007	2.0
251.05582	3.7
261.51999	0.9
268.13693	0.9
269.06674	26.0
275.05753	1.0
281.06531	1.3
311.07700	6.1
313.07053	1.3
325.10724	3.0
329.08783	22.4
341.08847	4.4
355.08270	27.0
356.08551	1.9
359.09979	4.8
367.08484	1.4
385.09348	22.3
415.10526	4.8
431.11923	1.5
449.12997	10.1
457.11642	4.7
475.12427	10.8
476.12317	3.7
487.12595	1.5
505.13730	2.4
506.12283	1.1
595.16693	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	595.1675
Annotation	5,7,4'-Trihydroxyflavanone 7-O-galactosylglucoside
Peak:m/z	Relative Intensity
55.21457	0.7
58.77708	0.7
59.01387	3.6
60.53453	0.7
65.00320	3.7
71.01380	1.8
73.47306	0.7
79.95733	0.8
82.00621	1.1
85.02951	1.2
88.98841	2.1
89.02466	1.3
95.01421	1.8
96.96001	1.7
99.00895	1.0
101.02453	1.1
108.02198	0.8
109.02967	0.9
109.73280	0.7
110.00117	13.2
111.00906	3.4
123.00906	3.2
124.01682	2.4
125.02466	0.9
132.77637	0.7
136.01733	2.0
136.98837	2.8
137.02467	0.8
137.99634	3.9
139.00432	3.6
151.00291	1.1
152.01155	5.7
157.06650	0.8
164.98331	6.0
165.99084	14.9
166.99919	6.8
167.03490	1.3
178.99989	1.0
181.06618	1.2
185.06094	1.1
187.07634	1.1
193.03558	0.9
209.06094	1.0
225.05603	5.8
227.07080	1.8
229.04999	1.7
241.05110	2.5
242.05861	1.7
243.06636	20.8
253.05081	10.8
269.04541	8.3
270.05341	17.7
271.06140	78.9
272.06375	2.4
283.05984	0.8
329.05020	0.9
391.13901	1.3
402.28873	0.9
433.11417	100.0
434.11917	4.5
595.16467	23.1
596.17261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1674
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
56.24477	1.1
68.99825	1.3
69.53149	2.0
69.53526	2.4
71.01380	1.5
79.01896	1.2
81.03454	4.2
83.01395	5.0
93.03463	6.7
95.01377	1.3
95.05037	1.0
97.02947	5.2
98.21902	1.5
107.01378	6.3
107.05042	1.6
109.02965	2.9
111.00866	1.4
111.04541	2.7
113.02425	1.0
113.03584	1.2
115.33425	1.1
117.03502	1.4
119.05038	44.6
120.05430	1.7
121.02943	3.2
123.00912	2.2
123.04512	3.4
125.02441	9.6
129.85960	0.9
135.04503	2.6
136.01706	1.2
137.02469	6.6
139.04053	6.5
143.05060	6.2
145.02995	8.3
147.04576	2.9
149.02435	5.4
149.06010	1.1
150.03252	1.8
151.00417	5.5
151.03999	1.4
155.03551	1.4
158.59233	1.1
158.81410	1.2
161.02429	2.0
161.06085	2.9
163.00404	4.0
163.04005	3.4
164.01164	1.8
165.01935	7.6
167.03494	11.0
175.04047	1.9
177.01953	7.7
178.02646	1.4
179.03490	2.7
183.08118	1.0
185.05959	1.7
187.04053	7.6
189.01912	1.6
191.03540	5.6
193.01447	12.8
197.04556	4.4
197.06134	1.5
199.07658	3.3
203.32982	1.1
205.01448	8.9
205.05022	1.6
206.02087	1.3
207.02950	5.7
209.04568	5.5
213.05777	1.1
217.01529	1.2
219.02980	4.5
221.04521	2.4
223.02516	2.3
227.07268	2.6
233.00656	1.3
233.04752	1.3
235.02509	13.8
239.05449	1.5
241.08667	1.9
245.08191	2.0
247.02499	2.3
249.04099	1.6
259.02411	1.5
261.04016	1.6
265.03561	5.2
265.08688	2.0
271.06180	4.2
283.06076	1.7
293.37247	1.1
295.04611	1.2
313.07230	19.5
325.07251	9.4
343.08185	6.3
353.06586	1.6
355.08279	100.0
356.08582	4.0
367.08237	4.5
383.91629	1.1
385.09341	75.4
386.09625	3.1
397.09030	5.5
415.10379	23.1
416.10947	1.9
427.10190	1.8
445.11450	1.3
457.11395	13.0
475.12555	38.7
476.13071	1.4
487.12387	6.7
505.13635	12.6
577.15442	3.0
595.16730	78.7
596.17157	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	595.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77930	0.8
53.98053	0.8
55.01879	0.9
56.21264	0.7
57.03451	2.1
59.01384	18.4
62.43204	0.8
64.85527	0.9
71.01386	24.7
73.02938	1.4
85.02956	23.9
87.00892	2.3
88.98829	1.0
89.02444	8.2
92.28831	0.9
95.01400	9.7
96.96040	4.1
99.00898	1.1
101.02461	4.5
109.02847	0.9
111.16943	0.9
113.02455	55.0
119.03468	1.1
137.00690	1.1
139.00450	1.2
154.00966	1.0
154.99933	1.1
161.04567	2.8
162.92667	0.8
165.00146	2.6
166.00943	71.9
167.01736	4.5
172.52863	0.8
181.03294	30.1
184.02039	2.6
199.04303	2.0
328.06219	1.7
343.08383	1.2
347.08270	2.2
351.86804	0.9
358.97281	1.2
361.09549	1.5
507.15430	53.2
508.15607	2.8
526.57776	1.0
595.17065	100.0
596.17542	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	595.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92073	2.2
64.86478	2.3
65.00323	5.5
65.99842	3.6
67.09177	2.4
70.30115	2.3
70.48617	5.2
76.85664	2.5
81.73226	2.6
95.01397	3.0
96.00907	3.1
97.02972	6.4
98.02501	14.7
99.00896	5.8
107.05038	2.8
110.02467	5.0
122.02530	5.1
123.03282	9.4
123.04571	13.5
134.02502	5.2
135.03273	8.8
138.02023	2.8
149.02507	2.9
149.04042	2.6
150.05640	2.9
151.02757	7.4
152.03587	2.8
163.62720	2.8
165.00630	3.5
166.01489	4.7
166.05148	5.1
166.22780	2.8
169.06581	2.8
171.04582	4.0
192.03021	4.2
194.04578	4.8
195.02959	6.3
209.41379	2.7
212.05644	5.3
224.07037	3.7
226.08751	3.8
228.06638	5.5
237.09326	2.9
242.08264	66.3
243.08456	2.9
270.07742	100.0
274.08780	5.6
296.05740	3.3
371.94904	2.6
398.14166	5.6
438.05957	4.8
472.15976	2.7
516.14404	5.5
542.12512	13.3
551.18500	4.9
559.06360	3.6
559.15143	93.4
560.15692	7.2
577.16467	7.9
578.14722	10.3
595.17340	94.5
596.17810	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	595.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53757	1.4
61.28701	1.5
65.00330	2.7
65.99841	1.6
66.89724	1.4
68.99809	2.2
69.39828	7.9
75.36812	1.5
89.52890	1.4
94.02987	2.2
98.02471	2.2
98.22655	3.4
103.46730	1.7
105.03474	3.8
106.76587	1.5
109.02953	3.5
110.02485	5.2
119.21953	1.6
119.24416	1.6
121.02916	2.1
123.03249	6.2
131.01407	2.5
133.02956	6.9
134.02455	4.7
135.00853	3.1
135.03262	5.4
136.00356	3.3
138.01949	4.2
149.02466	1.6
151.02740	5.3
152.03511	5.4
158.02429	1.6
160.04025	2.4
164.98271	2.2
165.00584	1.8
166.01448	2.6
171.04529	4.8
176.03510	6.1
177.01956	17.5
178.01457	4.0
188.03673	1.7
192.02985	3.4
202.01517	2.5
202.99922	2.8
207.04022	3.1
216.00674	2.6
220.02499	3.3
224.71693	1.6
226.08743	4.0
228.06599	2.0
231.04170	2.8
235.07552	1.9
236.14648	1.6
237.09210	4.2
242.08235	53.3
263.07178	2.9
268.06058	2.2
269.04507	6.1
270.07721	100.0
271.08090	4.4
280.06250	4.0
280.09460	2.8
281.08252	4.2
296.05655	4.6
306.07639	4.1
324.08762	79.6
325.09152	4.2
335.10266	11.0
353.11374	11.8
379.09238	6.5
382.10968	1.8
398.13882	4.0
407.08893	35.2
542.12592	4.1
559.15198	20.6
595.17084	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	595.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06355	0.6
54.28850	0.7
54.54737	0.7
65.00328	4.5
65.99838	1.7
68.99807	2.3
69.11837	5.6
81.03014	1.4
81.03465	14.7
83.01389	0.9
88.49108	0.7
92.01378	0.8
95.01397	1.5
96.00890	2.2
97.02940	1.7
97.05661	0.7
98.02490	4.1
99.00883	0.9
104.05070	0.9
107.00165	1.0
108.04567	7.0
108.88432	0.8
109.01714	1.8
109.02953	2.6
110.00111	0.7
110.02479	3.9
117.03456	0.8
118.64555	0.8
120.00921	1.8
121.01691	1.7
122.02480	1.4
123.03267	2.5
123.04558	4.4
124.04049	28.5
134.02438	2.9
135.03255	4.4
136.00421	2.0
136.98792	1.2
138.01947	1.1
141.07095	1.5
146.02542	1.8
148.04027	3.4
151.02754	3.3
151.03874	0.8
152.03561	5.2
156.08182	6.7
164.03557	0.8
165.00647	7.2
166.01509	0.9
166.05099	2.9
167.35683	0.8
169.06586	2.1
170.04573	2.7
171.04539	5.8
173.06082	1.9
175.02736	1.0
180.08183	4.0
182.09776	1.2
184.07686	4.9
190.01428	2.6
192.03036	2.3
194.04541	1.4
195.03011	1.2
196.02490	4.1
196.07703	1.0
199.07668	0.9
201.05576	1.2
203.02190	1.5
206.09705	0.9
208.07664	1.4
210.05630	0.8
211.04097	0.9
212.05574	1.8
216.03027	1.6
222.09186	2.9
224.07213	2.6
225.05634	1.2
226.08716	11.3
228.06648	1.8
237.09245	1.2
241.05067	1.5
242.05782	1.5
242.08253	28.3
243.08586	0.9
250.08809	5.9
252.06647	3.1
253.04964	1.0
254.05943	1.5
262.08716	1.5
263.07187	1.0
265.08795	1.0
266.04532	0.9
267.05554	2.5
268.06128	2.5
269.06961	6.4
270.07724	88.8
271.08063	2.8
276.06677	1.1
278.04514	1.2
280.06885	1.2
280.09735	5.5
292.06198	2.0
292.09775	1.1
294.07730	13.0
306.07794	1.7
307.08383	2.6
308.09286	2.0
312.14005	1.3
320.09335	1.3
329.63898	0.8
354.14844	1.3
356.12851	1.2
380.12933	2.8
382.10669	4.1
384.12411	1.2
398.13998	100.0
399.14322	5.6
407.07867	1.4
448.15512	1.7
450.13596	3.3
508.92856	0.8
523.18756	29.3
524.19226	2.1
533.17322	9.5
534.15369	1.3
551.17346	3.5
559.14862	5.5
577.16443	3.2
578.14819	4.1
595.17285	25.5
595.25208	1.8
596.17578	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	9.9
65.99836	5.1
68.99828	3.7
69.08895	15.9
71.62920	2.0
72.55316	2.6
81.03458	7.9
82.02963	2.9
98.02454	4.1
98.22660	3.6
99.04517	2.8
108.04568	4.3
109.02964	7.9
110.02505	4.0
111.00832	2.7
120.00991	4.0
121.01744	3.1
121.02966	4.7
124.04084	13.6
134.02533	6.2
135.03307	7.6
136.00407	7.2
136.98785	3.1
138.02008	2.8
148.03996	4.5
150.05525	3.1
151.02751	4.5
152.03563	12.5
156.08087	3.0
163.99930	3.6
164.98376	3.7
165.00682	10.0
167.49277	2.2
169.06659	3.4
171.04535	12.5
173.06094	5.2
175.99879	3.4
177.01920	3.4
181.06587	2.4
184.07713	5.1
185.06026	2.8
188.17944	2.8
190.01581	2.7
192.02960	4.3
196.07755	3.9
200.07144	2.5
202.05875	2.7
209.06068	3.4
212.07263	3.8
216.02879	3.0
224.07144	3.5
225.05606	3.0
226.08832	9.4
241.05086	9.8
242.08237	45.6
250.08745	6.4
252.06731	2.4
253.05176	4.7
263.07132	2.3
268.06137	8.8
269.04364	12.6
269.06961	7.1
270.07761	100.0
271.08063	4.4
273.08615	3.0
278.04636	2.9
280.06491	4.2
282.06378	3.0
283.02554	6.7
284.03152	3.1
294.07895	9.4
296.05725	11.7
296.08917	2.3
299.20459	5.2
307.08368	4.4
310.10876	2.9
314.18384	2.8
324.08795	17.5
338.05475	5.5
341.07581	3.3
382.10898	5.7
398.14008	78.2
399.14410	4.7
400.12189	3.0
403.12711	3.4
442.11868	13.6
445.14050	62.8
446.14291	4.5
471.12042	14.9
489.13168	10.6
523.18909	19.8
533.17200	42.7
551.18054	4.9
559.15405	7.2
577.16260	43.4
578.16858	4.0
595.17340	96.8
595.24725	4.8
596.17548	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	595.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31094	1.7
52.84715	1.8
62.05363	1.9
62.55442	2.0
64.85474	2.3
65.00335	6.7
65.99860	4.8
69.75443	5.6
69.75756	1.8
73.02956	2.2
78.68887	1.9
80.47951	1.9
81.03471	2.8
82.02987	2.2
98.02493	3.4
110.02486	4.6
111.00904	9.0
115.67687	1.9
117.41882	1.9
118.32605	2.1
119.05049	2.9
120.00932	4.2
122.02514	3.8
123.03306	5.7
123.04532	4.4
124.04064	2.5
130.02930	1.9
134.02507	7.6
135.00894	2.1
135.03317	9.2
136.00406	7.9
136.98816	4.7
138.01971	2.6
145.06607	2.9
146.05069	1.8
151.02808	4.6
152.03534	3.2
163.99918	3.2
164.98311	8.1
165.00697	5.8
169.06636	2.2
171.04549	6.2
175.99911	2.8
176.03523	2.8
189.04347	3.3
192.03065	4.4
193.50578	2.0
194.04573	2.5
215.02150	2.2
224.07664	1.7
224.17885	1.9
226.08920	2.1
228.06671	2.5
241.05104	4.4
242.08255	49.0
243.08675	6.7
245.03311	2.7
252.06808	5.7
255.06609	4.8
268.06125	20.6
269.04462	19.1
269.06808	2.6
270.07727	100.0
271.08185	14.8
280.06180	9.8
285.04120	2.0
288.03894	4.2
296.05804	6.3
318.07562	2.4
323.05792	3.0
324.08954	5.6
336.08524	3.1
349.09857	4.9
353.11462	11.2
388.08179	2.3
392.10211	11.2
393.11038	18.4
398.14053	8.4
405.10956	50.6
433.10464	4.4
449.43842	2.5
494.12433	3.6
523.19312	2.5
545.83551	2.2
551.18109	5.6
577.13763	12.5
595.17358	91.0
596.17072	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	595.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.1
57.03457	2.8
57.55315	1.9
59.01386	100.0
61.98863	2.1
69.03459	1.8
71.01392	31.2
73.02956	19.4
83.01407	9.6
83.18798	2.3
85.02965	14.0
87.00893	2.6
89.02436	14.0
95.01406	5.3
97.02988	2.7
99.00905	6.1
101.02443	29.6
113.02461	17.5
119.03515	6.5
125.02444	7.0
131.03543	3.7
143.03561	4.0
149.04526	3.1
153.53549	1.9
161.04533	18.2
162.12671	2.0
179.05611	6.5
203.05632	10.9
221.06677	12.4
263.07690	10.6
303.14575	2.6
386.21713	1.9
405.17529	11.1
416.99997	2.3
423.18805	15.7
440.17795	1.9
447.18420	2.4
465.19821	41.5
507.20935	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	595.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
57.32914	0.7
59.01085	1.4
59.01385	28.9
69.03468	1.9
69.30591	5.0
71.01389	2.6
81.03463	8.4
83.01378	5.7
83.73155	0.8
85.02944	1.5
89.02465	1.1
91.05579	0.8
92.73980	0.8
93.03474	2.8
95.01396	2.1
95.05052	4.4
96.56238	0.9
96.95993	0.9
97.02970	5.6
99.04538	3.7
107.05028	1.1
108.78391	0.8
109.02944	1.5
111.04523	2.3
113.02487	1.6
119.05024	2.2
121.02937	3.2
122.03789	0.8
123.04534	13.5
125.02467	17.5
126.07001	0.8
128.03542	0.9
134.03760	2.7
135.04530	3.2
137.02426	6.2
137.06105	1.7
139.04024	2.0
142.94011	1.0
146.24269	0.9
147.04475	1.3
149.02438	2.2
150.03271	6.0
151.04018	2.9
153.05614	2.4
161.02565	1.2
162.03242	72.7
163.03676	1.4
164.04800	0.8
165.01985	1.0
165.05591	8.5
167.03511	22.6
177.05588	100.0
178.05928	2.0
179.03477	5.7
180.04309	1.2
181.05043	2.3
191.03439	1.2
193.05142	1.8
195.06622	6.4
197.04547	5.7
209.04578	53.6
210.04886	1.4
221.04633	2.0
239.05638	34.5
239.08069	1.9
251.05586	2.0
264.74225	0.8
269.06726	12.1
277.73529	0.9
279.07297	0.9
311.07837	3.5
325.10797	7.1
329.08789	10.9
329.12360	1.4
341.08801	2.9
355.08264	15.7
355.12396	1.2
356.08511	0.9
359.09985	2.0
367.08194	1.1
373.12994	1.2
385.09317	11.2
415.10229	3.5
449.13281	4.1
450.13446	1.1
457.11511	1.2
475.12689	6.6
476.12317	1.1
487.12531	1.9
595.16602	10.0
595.25403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
69.80300	0.7
69.81342	0.2
71.01385	0.5
73.02953	0.2
96.36337	0.2
96.96011	0.2
99.04481	0.2
108.02152	0.4
109.02989	0.4
113.02469	0.2
122.02477	0.2
123.04478	0.4
133.72697	0.2
137.02457	0.5
138.03252	0.7
139.04044	0.3
151.00401	0.4
152.01132	0.3
153.01872	0.2
161.02440	0.5
165.05588	0.7
166.02736	0.7
167.03488	1.4
175.27579	0.2
177.01988	0.3
178.02744	1.6
179.07233	0.3
182.05815	0.3
183.06592	0.4
189.05577	0.3
195.06696	0.4
204.04358	0.5
205.04974	0.2
209.04575	1.5
217.04903	0.3
218.05766	0.3
218.09395	0.3
219.06500	0.4
222.05342	2.4
235.06165	0.3
239.05385	0.2
241.08775	0.4
242.09384	0.4
247.09381	0.2
254.06157	0.2
257.11832	0.5
262.08569	0.3
263.08939	0.3
269.06519	0.5
270.08923	0.7
277.06958	0.3
285.11377	0.7
286.11774	0.3
301.03543	0.2
301.10773	0.2
303.12402	0.8
311.12872	0.3
313.07135	0.3
313.10663	0.3
314.11328	0.2
315.12488	0.3
317.10428	0.4
329.10107	0.9
329.13992	1.0
331.11761	0.3
347.11298	1.1
347.15036	2.8
357.09839	0.5
358.10638	1.1
359.11316	0.2
373.12952	4.4
375.10690	0.7
387.14603	0.3
389.12451	0.4
390.13281	1.0
391.14008	100.0
392.14325	3.7
401.12210	0.4
433.15082	0.9
475.23505	0.2
577.19525	0.6
595.20526	6.6
596.21088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.05908	89.0
69.77637	11.3
70.00356	11.3
73.43159	11.7
119.05019	28.9
160.21893	11.9
266.10840	15.3
284.03455	15.6
551.51611	16.9
595.25781	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41975	0.9
57.33966	0.8
58.65721	1.0
59.01383	9.5
61.98832	1.9
71.01392	2.9
73.02956	2.1
78.95932	1.0
79.92925	0.8
82.95429	6.8
83.01413	1.3
84.95111	1.4
85.02992	1.7
89.02477	2.1
101.02444	1.5
113.02478	1.0
119.05064	3.5
125.44074	0.9
128.03596	2.5
133.03018	1.2
134.03815	1.0
135.04596	2.5
137.02443	1.5
151.00410	1.3
155.07121	4.3
161.02496	1.4
165.57423	0.9
171.07826	2.7
175.04062	1.1
188.04826	2.0
193.04996	1.1
201.05620	1.0
203.07166	1.0
219.93156	0.8
250.74326	1.1
271.13483	7.5
285.14972	2.3
297.14874	1.6
303.16269	4.7
315.16129	3.7
329.17496	1.5
345.17151	1.5
347.18594	2.0
465.21387	2.3
491.23166	1.7
507.22394	4.2
509.23795	4.7
525.12585	0.9
533.23962	2.5
536.03870	0.9
551.25037	100.0
552.25372	5.7
595.31238	1.2
621.15924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77701	1.3
59.01382	34.7
61.98846	2.7
65.00326	19.0
69.15062	6.1
69.23483	1.4
71.01383	1.3
75.73757	1.0
90.43052	1.0
90.98621	1.7
92.99828	4.2
96.96020	2.3
96.99321	5.2
99.00908	1.2
110.00092	3.6
120.99342	3.0
124.01658	1.5
136.98804	14.8
152.01228	1.9
161.02484	2.5
164.96898	2.2
164.98299	39.0
165.99043	3.1
171.04605	1.4
177.99034	2.2
199.03954	2.1
213.05730	1.8
219.07826	1.8
224.99759	1.1
225.05646	1.8
227.03596	2.0
227.07285	2.4
241.05107	7.4
243.06615	7.7
253.04807	1.4
265.08801	1.4
269.04562	100.0
270.05035	5.7
271.03354	2.3
271.06100	18.5
323.07800	2.8
325.11737	3.3
326.10367	1.8
329.17609	68.6
330.17886	2.4
347.18829	1.5
389.19769	9.5
433.11804	3.4
551.25018	30.7
552.25183	2.5
595.15875	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	595.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87372	0.5
57.01850	0.4
57.23024	0.4
59.01389	4.5
61.98827	0.4
71.01393	2.8
71.41506	0.7
73.02953	2.5
73.98315	1.1
83.01376	0.7
84.71599	0.4
85.02950	1.4
86.02465	2.3
89.00680	5.3
100.49867	0.4
101.02460	1.6
113.02468	1.1
115.02229	4.2
119.05018	0.6
127.08808	2.1
128.03557	13.0
153.06721	0.8
161.04575	0.8
167.03418	0.6
171.07770	10.4
189.05678	0.5
201.05649	0.6
202.06377	2.4
203.07086	0.6
215.06747	2.1
216.07770	0.5
225.33429	0.4
246.09012	0.9
255.10223	1.1
269.11862	0.4
270.12717	1.2
271.13434	1.3
285.04099	3.4
285.14984	14.2
286.04425	0.8
297.15033	0.7
303.15991	3.5
311.16577	3.5
315.16064	3.1
327.16003	0.9
329.17599	10.4
330.18024	0.7
330.74155	0.4
343.13626	1.5
347.18579	2.8
351.37473	0.4
361.14758	2.1
371.18533	0.9
373.19904	0.9
379.15567	0.5
389.19623	1.4
430.16953	0.7
447.20288	0.8
448.18289	0.9
465.21378	3.6
491.22891	1.8
507.22440	4.2
509.23999	6.2
513.27161	1.8
533.24030	1.5
535.25269	6.6
549.23407	0.5
551.25018	100.0
552.25360	6.5
577.22290	1.2
595.23389	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01384	100.0
59.59378	1.0
61.98821	3.5
71.01388	16.3
73.02955	9.8
73.66053	0.9
83.01375	3.9
83.05046	1.6
85.02983	5.3
89.02450	4.8
95.01385	1.7
96.96045	1.8
99.00875	1.5
101.02443	11.8
106.33150	1.1
113.02467	7.2
119.03523	2.6
119.05004	1.3
128.03528	1.9
135.04665	1.2
143.03548	1.8
145.02875	1.8
152.77589	1.1
161.04622	5.4
167.03476	2.0
171.07852	1.2
175.31509	1.0
179.05574	1.1
185.84621	1.0
189.12842	2.0
196.02553	1.8
203.05632	2.0
265.18848	1.2
287.20239	1.4
303.19678	34.1
304.19873	2.0
347.18918	5.6
365.28607	1.1
465.25058	3.3
507.25940	2.9
535.22552	7.4
551.25049	12.8
595.23730	3.6
595.33179	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	595.2554
Annotation	Tiegusanin J
Peak:m/z	Relative Intensity
53.72789	1.2
60.18291	1.2
61.98815	1.7
65.00312	2.5
71.43353	1.5
74.68790	1.2
111.00974	1.4
115.20394	1.2
116.92843	2.6
117.03452	3.9
117.04922	1.2
117.86784	1.3
119.05033	3.8
119.10299	1.2
122.02533	1.9
125.02436	2.6
136.98785	1.6
137.61876	1.3
151.00357	2.8
161.02510	1.7
168.37323	1.4
283.02676	2.8
284.03311	14.5
285.04080	3.7
298.04816	4.0
309.04089	4.9
311.05646	5.2
324.06451	4.4
337.07272	13.9
351.08795	1.9
365.10004	2.6
367.11951	5.2
377.14270	1.8
379.11917	3.3
395.15076	13.0
467.96429	1.4
577.23993	2.5
595.25549	100.0
596.26019	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	595.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53406	2.3
55.44220	2.6
57.27002	2.3
65.00329	5.1
70.96316	2.7
78.95902	3.2
79.97676	2.5
88.98795	8.3
89.02468	3.9
96.96043	3.5
117.03491	3.4
122.02501	58.0
124.37053	2.3
136.98790	6.9
140.70345	2.5
152.99568	6.2
163.00386	8.0
167.71054	2.6
201.11053	2.5
255.02968	6.4
279.23428	3.6
283.02567	29.7
284.03299	100.0
285.03925	8.3
335.11517	2.8
383.44424	2.6
552.26276	3.8
572.69708	2.9
595.28455	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26678	0.7
53.23022	0.8
56.03097	0.7
61.98840	1.5
66.26660	0.7
78.95911	66.6
80.91709	1.0
96.96975	12.2
107.96893	0.8
150.97949	1.0
152.99605	100.0
171.00645	3.5
179.38380	0.7
216.12248	0.7
218.42851	0.8
223.00137	9.3
241.01205	25.1
259.02170	1.9
279.23322	62.4
280.23660	2.7
284.03159	1.5
285.04016	1.3
315.04910	17.4
333.06042	1.2
340.99048	0.9
397.33569	1.0
433.23599	1.0
582.02155	0.9
595.28943	82.1
596.29449	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	595.2896
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
70.91110	1.1
78.95911	68.6
81.63298	0.7
89.41570	0.7
96.96978	11.3
152.99612	100.0
171.00685	2.8
221.76872	0.7
223.00137	9.8
228.16742	0.8
241.01222	24.2
255.02998	1.1
256.03714	1.1
259.02338	2.4
279.23315	66.0
280.23685	3.0
283.02454	1.4
284.03235	6.8
315.04922	17.8
333.05893	2.1
442.97375	0.9
584.36816	0.8
595.28943	78.1
596.29144	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	595.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76493	6.3
61.98823	15.1
69.11864	53.5
78.95913	53.9
94.74572	7.9
96.96973	11.2
104.69769	8.3
109.03062	6.5
119.28164	6.7
119.94707	19.2
152.99599	100.0
197.31618	8.0
205.13484	7.0
272.73712	8.1
279.23288	29.4
285.98318	8.7
302.90039	7.2
316.10840	6.6
361.01193	7.5
367.65103	7.2
433.23541	11.4
513.13422	7.4
595.28485	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	79.0
66.00658	1.0
69.36413	1.9
69.36805	1.8
75.96242	0.8
81.03448	1.0
89.03870	0.9
95.01412	1.1
96.99297	1.1
98.19186	0.9
107.05001	1.0
108.99313	3.3
110.00108	1.6
111.00899	1.6
119.05082	4.5
122.17597	0.8
124.01694	2.7
136.98814	76.7
137.99196	1.2
139.00330	1.5
145.06595	1.5
148.04073	1.8
152.01164	2.2
161.02490	1.1
162.67586	1.1
164.98289	5.9
165.98959	1.4
169.06613	2.6
171.04543	2.4
185.06012	1.1
190.01454	0.9
197.06104	1.4
199.04086	7.3
213.05585	3.3
220.02548	3.8
224.03529	0.9
225.05630	1.5
227.07182	3.4
229.04968	1.0
241.05090	100.0
242.05476	3.1
242.07994	1.0
243.06633	8.5
253.05103	2.1
265.08792	2.1
268.02707	1.0
269.04568	34.3
269.07455	1.7
270.04996	3.4
270.07690	1.7
271.06143	32.8
272.06320	1.7
296.01917	0.9
311.09360	1.1
317.29538	1.2
324.08813	8.7
326.10345	3.2
353.98187	0.9
354.09875	18.5
355.09973	1.4
564.13287	3.1
596.15826	8.5
597.15210	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	596.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	5.5
65.00329	13.0
70.33544	0.9
70.33871	0.7
82.00587	1.2
84.62497	0.6
85.12074	0.6
85.33180	0.5
92.99839	3.3
94.45046	0.5
95.01409	2.6
96.99308	4.7
98.02480	1.7
108.99332	0.6
110.00102	7.2
120.17754	0.5
120.99316	1.5
123.00876	0.7
136.98817	10.3
137.99554	1.9
157.06541	0.7
161.02451	1.2
164.98302	29.2
165.99094	4.8
171.04478	0.8
173.06152	1.0
177.05580	2.6
177.99083	1.6
181.06416	0.6
197.05992	0.7
199.04010	2.0
203.03400	0.5
213.05556	1.5
220.06149	1.2
225.05641	1.2
227.03627	0.9
227.07173	7.8
237.09325	2.7
241.05104	3.3
243.06580	0.6
255.06616	0.6
265.08719	5.5
269.04559	100.0
270.05133	9.0
271.06183	1.1
280.09790	1.1
285.07736	1.3
290.08319	1.3
298.10834	1.3
308.09274	2.8
326.10370	10.6
332.55865	0.6
510.30237	0.6
596.15753	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	596.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05606	2.4
58.19661	2.6
58.30936	3.0
65.00317	11.9
67.01897	45.1
68.99822	5.4
69.86927	9.4
72.13589	2.6
95.01408	6.6
99.04522	64.3
110.02424	5.6
111.00861	5.3
120.00947	4.5
123.03366	3.8
125.76464	2.6
134.02504	6.5
135.03258	3.7
136.00406	5.1
136.98795	4.1
145.06657	3.5
151.02760	4.1
164.98291	5.5
165.00682	4.5
171.02974	44.6
171.04497	9.0
180.08095	3.5
198.09227	2.9
225.05493	3.1
226.08749	5.3
228.06754	3.6
242.05840	3.6
242.08257	44.6
248.07214	3.6
249.05531	8.0
250.08627	5.8
252.06639	4.4
255.06567	11.0
268.06158	9.0
269.04486	10.3
269.06998	4.7
270.07721	100.0
271.08234	5.2
276.06448	5.2
278.08206	5.4
280.06152	3.4
294.07739	6.9
325.07132	5.0
380.12753	14.2
398.13940	32.2
399.14087	4.1
404.12820	5.9
440.07437	6.3
448.11691	6.2
450.13596	5.4
472.75146	3.2
492.14725	48.4
497.67630	2.7
508.13910	3.7
520.09991	14.6
524.13214	5.9
552.13251	9.1
564.13257	13.0
596.15631	92.9
597.15887	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	596.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35049	0.9
52.88174	0.8
57.71075	0.9
58.55989	0.9
65.00330	75.0
69.63841	2.3
81.94360	0.9
94.50269	0.8
95.01410	1.0
95.27293	0.9
98.02471	1.1
103.56142	1.0
108.99312	3.3
110.00152	1.6
123.00963	0.9
124.01659	2.5
136.98819	81.0
137.99144	1.7
139.00400	1.9
148.04044	1.4
152.01195	1.9
164.98351	4.9
165.99098	1.3
169.06541	1.3
171.04535	2.6
197.05991	1.2
199.04027	6.4
213.05585	4.1
220.02571	3.4
222.04167	1.0
225.05608	1.7
227.07129	3.1
241.05086	100.0
242.05409	2.8
242.08000	1.1
243.06558	6.7
250.47774	1.1
253.05078	1.8
265.08737	2.0
269.04562	31.8
270.05008	4.0
270.07779	2.0
271.06143	35.5
272.06473	1.4
324.08783	6.0
326.10370	3.3
354.09851	19.9
596.15912	1.9
616.59894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84873	0.3
55.75191	0.3
58.02971	0.4
59.01382	0.8
65.00326	12.8
68.99828	0.4
69.33330	1.3
69.33732	0.7
82.00607	1.0
82.12829	0.4
87.00801	0.3
87.04526	0.9
92.99822	2.9
93.33056	0.3
95.01427	2.1
96.99312	3.2
98.02458	1.5
108.02221	0.4
108.99325	1.0
110.00106	6.5
120.99322	1.4
123.00925	0.8
124.85641	0.4
135.04536	0.8
136.98810	10.0
137.99556	1.5
139.00374	0.3
141.07062	0.6
149.99551	0.8
157.06621	0.5
158.06122	0.7
161.02437	1.2
164.98308	27.6
165.99097	4.2
171.04533	0.6
177.05632	2.3
177.99095	1.5
185.06096	0.7
187.04016	0.8
197.05971	0.4
199.03969	1.7
202.05121	1.4
206.07306	0.7
207.99489	0.3
213.05597	1.0
220.06198	2.0
221.09679	0.7
225.05614	1.1
227.03506	1.0
227.07133	7.5
237.09291	1.5
239.07161	0.6
241.05113	3.9
242.05705	0.5
243.06509	0.5
243.37663	0.4
254.11884	0.4
263.07053	0.6
265.08719	4.8
269.04562	100.0
270.05124	7.3
271.06104	1.1
280.09875	1.0
285.04233	0.4
290.08328	1.9
291.06714	0.9
298.10861	1.4
308.09271	3.7
326.10330	8.0
438.23972	0.3
596.15350	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	596.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15431	2.1
60.70610	1.8
61.10563	1.9
63.96547	2.2
65.00333	4.3
65.99845	2.5
67.01888	17.1
69.14616	12.6
83.50393	1.9
85.02966	2.5
99.04527	23.9
109.02984	2.3
110.02528	5.3
110.38734	1.9
119.05122	2.3
123.03287	4.8
134.02426	4.5
135.03265	7.2
136.00420	8.8
136.98753	2.5
138.01971	2.6
151.02768	7.1
155.02258	2.5
156.08163	2.4
157.06522	2.6
161.02385	3.2
163.00298	2.9
163.99916	5.8
165.00740	4.3
166.01480	2.2
171.03065	16.4
171.04503	4.0
177.02042	2.4
179.08556	2.2
192.03020	3.7
193.06819	1.8
197.06145	3.3
208.07518	2.1
213.05498	2.4
224.07172	4.0
225.05649	2.7
226.08780	5.5
228.06644	2.0
232.11153	2.6
242.08243	47.7
249.05580	2.4
252.06638	4.6
253.04890	2.2
255.06593	3.0
265.05029	5.6
267.06583	5.8
268.06122	14.4
269.04504	4.9
270.05276	4.1
270.07712	100.0
271.08301	3.1
276.06641	2.9
276.10315	2.5
278.08090	2.7
280.06085	3.7
285.03247	2.5
293.04453	13.4
294.04944	2.9
294.07892	4.1
295.06033	10.6
296.05713	17.7
302.07959	2.5
327.08777	3.7
380.12546	4.1
398.13971	15.8
448.11603	4.2
492.14783	16.7
494.12708	2.8
502.12851	4.2
508.14615	2.4
518.12598	2.8
520.10919	7.1
536.13696	12.8
538.11487	9.4
546.12018	4.9
554.11603	2.4
560.09308	3.6
564.13123	30.6
565.12268	2.5
573.22705	2.6
595.25665	9.8
596.15576	42.3
596.25830	42.8
597.16260	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	596.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37289	1.7
61.31386	1.8
65.00326	5.1
65.99859	5.4
68.99818	2.8
69.08208	12.4
74.63359	1.7
77.00382	1.8
81.03448	3.6
91.75866	1.6
95.01401	5.5
96.00850	1.8
110.02507	2.6
121.01704	2.4
123.03320	4.1
124.04064	3.9
134.02505	3.6
135.03256	3.8
136.00409	9.7
137.02455	3.5
138.02007	1.9
144.61476	1.9
149.76538	1.8
151.02739	3.6
163.00372	2.4
163.48763	1.8
163.99925	8.0
165.00671	4.6
169.06630	2.0
171.04572	8.3
174.02000	5.1
176.01228	2.1
187.99991	2.9
192.03163	2.3
197.06099	2.2
198.02000	8.2
200.03651	2.4
202.01434	2.4
218.00856	2.7
222.01799	2.7
225.05511	2.1
226.01456	3.4
226.08748	3.0
238.01566	3.2
240.06664	6.6
241.05099	2.6
242.00923	5.8
242.08264	32.8
243.08546	3.4
252.06602	3.1
253.05074	2.8
254.05817	4.5
255.06654	11.6
265.97986	2.0
266.00912	4.7
268.02155	1.8
268.03131	2.4
268.06131	28.1
269.04379	4.1
269.06964	3.8
270.07727	69.1
271.08115	10.1
276.06491	2.2
280.06155	4.7
294.00519	5.5
294.07715	6.1
295.05969	3.9
296.05704	4.9
302.08560	2.7
304.06213	2.4
322.07153	11.4
327.08603	3.1
344.09830	2.2
346.07379	2.5
370.07507	3.3
372.08875	2.3
378.10483	2.0
390.05856	3.3
398.06787	4.9
398.13992	13.0
399.14331	25.3
408.43018	1.8
414.06488	3.0
416.07700	3.9
442.05707	57.0
460.06674	15.2
502.13089	9.1
520.14008	7.1
522.12018	14.1
523.12579	16.7
524.19275	12.5
534.17694	5.0
546.12036	28.5
547.12756	2.7
552.16132	2.6
564.13031	100.0
565.13245	7.6
578.14972	5.3
596.16217	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	596.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81751	0.7
63.02399	1.1
63.43489	0.8
64.01929	1.5
64.79055	0.8
65.00320	1.2
65.91810	0.9
65.99850	2.1
69.83441	2.3
78.75579	0.8
91.01911	1.0
95.01413	0.8
96.00906	2.3
98.21831	1.0
108.00854	0.8
110.02501	5.2
111.00838	1.0
119.01437	1.2
120.00918	0.9
122.02482	1.8
123.03289	6.2
130.96416	0.8
134.02534	5.9
135.00883	2.1
135.03262	5.4
136.00424	8.6
138.01976	4.1
147.00963	1.2
151.02765	5.5
155.02272	1.5
157.06575	1.1
163.00342	2.1
163.99933	4.6
165.07065	0.9
166.01494	2.2
169.06570	1.2
171.04472	2.3
173.06105	1.3
176.01146	3.0
177.01936	5.0
181.06566	1.1
189.99110	1.4
190.99863	1.8
191.99484	1.2
192.03036	4.0
193.06531	1.2
197.06076	2.3
199.07616	1.0
200.07028	1.0
209.06181	1.6
218.01009	1.3
221.06024	1.3
223.07730	1.3
224.07243	1.9
225.05487	2.5
226.05180	1.8
226.08731	2.2
227.07111	1.2
228.06657	1.9
237.05688	1.1
239.07103	2.4
240.06679	2.4
241.05026	1.7
242.08249	51.3
243.08638	2.0
251.07204	1.6
252.06697	2.9
253.05080	1.7
255.06561	1.7
265.05142	8.1
266.05164	1.0
267.06726	9.4
268.06143	13.9
269.04483	1.1
270.07736	100.0
271.08206	4.6
280.06128	3.5
293.04556	12.1
294.04926	2.0
294.07733	3.5
295.06079	7.1
296.05679	17.1
306.07687	1.4
325.06952	1.5
327.08789	5.0
338.06747	1.1
346.07169	0.9
347.17221	0.9
398.06613	2.0
398.13574	1.0
494.12469	1.7
499.76453	1.0
502.12918	5.9
518.12518	2.7
520.14026	4.3
522.12030	2.5
536.13586	17.3
537.13837	1.4
546.12250	7.2
564.13068	33.4
565.13208	3.2
596.15686	13.9
596.25354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87504	1.3
65.00323	5.8
65.99843	5.4
68.99826	3.8
70.90473	1.6
73.87381	1.5
76.45702	1.3
78.34261	1.5
81.03465	23.3
83.01386	1.9
83.05030	2.6
92.75427	1.6
97.06609	2.4
98.02515	2.6
107.00104	1.9
109.01716	2.9
109.02957	8.7
110.02477	1.9
111.00838	1.5
119.05122	1.5
120.00902	2.2
121.01718	2.1
123.03288	2.4
123.04543	2.9
125.02469	9.3
127.04002	4.0
134.02452	2.8
135.03281	2.6
136.00421	3.9
136.98792	2.0
138.01997	2.3
141.07106	2.0
147.03366	1.8
148.04062	5.0
153.01927	3.3
156.08208	10.4
165.00656	11.4
169.06607	2.4
171.04523	16.8
173.06053	2.0
180.08192	4.9
182.09692	2.4
184.07645	5.0
190.01469	4.9
197.00948	3.1
203.02359	2.0
206.09917	2.5
208.07663	2.5
209.09735	1.9
210.05717	1.8
216.02971	1.9
222.09225	2.4
224.07022	1.7
226.08768	15.3
228.06911	1.8
237.09172	6.8
241.05054	6.3
242.08250	20.0
250.08765	5.4
252.06654	3.3
254.05827	1.9
255.06578	2.3
263.07123	32.4
265.08643	4.8
268.06186	5.3
269.04495	6.7
269.07043	9.3
270.07736	62.2
271.08087	4.1
278.04568	1.7
280.05768	2.1
294.07635	12.0
296.05817	1.9
306.07684	2.5
307.08582	2.1
309.07684	3.4
338.11780	1.9
356.12796	3.5
380.12720	5.6
382.10620	6.2
398.13989	100.0
399.14383	9.6
448.15463	2.9
450.13440	6.5
480.18170	14.9
490.16806	4.3
508.17822	2.3
516.14648	21.2
524.17261	27.2
525.17413	2.6
534.15680	3.0
552.16376	3.6
560.13605	4.2
578.14886	3.8
596.16260	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	596.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69962	0.1
59.01382	12.1
62.87094	0.1
69.07230	1.2
70.65518	0.1
71.05029	3.6
73.04369	0.2
74.98182	0.2
78.03474	1.4
78.95912	0.2
81.03439	0.2
84.15112	0.2
86.97393	0.2
87.04519	0.5
97.06617	0.8
98.21877	0.3
99.04523	4.8
109.02966	0.3
113.06111	0.7
117.05590	38.2
118.05933	0.4
120.04573	0.3
122.02493	100.0
123.02844	1.5
123.04506	0.5
136.04057	2.7
141.05594	13.2
142.05890	0.2
146.02473	0.8
150.05623	1.3
152.99557	0.4
159.06644	9.4
164.62358	0.2
165.09213	0.5
178.05103	0.4
178.08818	0.2
192.67139	0.2
195.81874	0.2
203.14436	0.6
246.49806	0.2
284.03238	0.7
285.03970	0.8
286.04733	0.2
295.20679	0.4
313.18491	0.2
313.21637	1.1
357.20844	0.6
374.21478	0.3
392.22250	0.2
413.23444	0.6
473.25571	0.3
496.23471	0.6
536.26288	1.4
596.28619	1.7
597.28589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54099	3.0
59.01375	8.1
65.00325	21.3
80.77518	2.5
96.96011	4.7
96.99355	4.4
110.00150	3.1
111.00880	3.4
135.00862	3.7
136.98808	15.8
154.81352	2.4
164.98294	42.6
165.98727	8.7
171.04530	2.8
200.04451	3.3
228.93871	3.0
241.05029	6.5
243.06554	5.3
265.08484	4.5
269.04559	100.0
270.04941	46.6
271.05688	10.3
283.02563	18.0
285.04056	6.9
291.31448	2.7
298.04868	15.3
313.07220	43.7
327.10757	2.9
379.71283	2.8
445.09152	4.0
597.13684	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	597.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	16.6
65.00330	25.9
68.76278	5.5
86.54785	5.8
89.26174	5.7
90.07601	5.4
91.41567	6.0
91.53780	5.9
96.96035	6.5
109.32811	5.7
110.00125	10.3
111.00907	9.2
117.03545	7.2
124.01595	7.4
131.48132	5.3
136.98804	16.7
137.41364	5.2
145.02937	11.0
164.98289	48.9
165.98750	10.2
171.04614	7.9
224.22226	5.6
227.07071	6.0
241.05072	12.5
244.63370	5.7
255.03018	9.7
269.04584	97.3
270.04895	51.1
270.07501	8.1
271.05472	13.8
283.02509	65.3
285.04041	20.1
298.04800	35.4
313.07175	100.0
314.08191	6.4
413.85931	5.7
597.13727	28.0
597.28027	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	597.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29774	0.3
59.01381	2.2
62.96423	0.5
71.01392	1.1
71.38891	0.3
78.95911	100.0
80.08339	0.3
85.02953	0.6
89.02441	0.4
96.96053	3.3
96.96970	20.3
107.26055	0.3
113.02439	0.5
119.03478	0.4
138.98013	0.4
180.72375	0.3
196.85690	0.3
241.01248	1.6
259.02252	11.4
265.52798	0.3
319.06937	0.4
337.07794	0.7
371.02386	0.3
373.05365	1.3
417.04379	1.0
499.13113	1.1
502.86044	0.4
585.26770	0.3
597.10779	40.0
598.11163	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	597.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
58.02969	0.4
59.01389	4.3
61.98828	0.9
63.02417	0.7
65.00337	2.4
71.01387	2.8
74.36335	0.4
74.98679	0.4
76.32346	0.4
79.01979	0.5
83.01414	1.4
85.02958	0.7
86.02524	1.1
89.00698	2.3
89.02455	0.6
91.01900	1.3
101.02460	1.3
107.01400	4.8
108.02213	1.2
109.02969	10.1
113.02477	0.8
115.02266	1.1
116.92928	0.7
117.03488	0.6
119.04993	0.6
121.02990	2.0
123.04539	2.1
125.02454	1.1
127.08777	0.6
128.03548	4.9
129.03944	0.6
133.01945	0.6
133.02963	12.9
135.04532	0.8
147.01065	0.5
149.02429	3.3
151.00391	8.1
152.01146	2.1
153.01952	11.9
161.02559	0.7
163.04050	0.6
167.03505	3.4
171.04552	1.0
171.07744	4.9
172.08092	1.2
175.04053	4.8
177.01889	0.7
179.08505	0.6
185.05937	0.8
196.02452	0.6
197.06052	0.9
198.03271	1.1
199.04053	4.8
201.01973	1.5
209.04570	0.8
211.04077	1.4
212.29945	0.4
213.05518	1.2
215.03621	0.8
215.06674	0.5
217.05055	3.8
223.04135	0.5
227.03470	1.2
229.05016	0.6
239.03574	0.9
240.04083	0.6
241.05054	2.0
243.03036	1.7
255.03136	1.0
256.03784	2.2
257.04419	0.9
267.03049	0.8
269.04651	0.7
279.49857	0.4
283.02628	1.5
284.03293	17.4
285.04071	100.0
286.04385	3.2
297.06189	2.0
298.05011	0.6
299.05612	24.6
300.06021	0.9
304.93964	0.5
311.07852	0.6
327.05228	1.3
346.45215	0.5
429.08301	0.6
447.09421	1.6
449.40167	0.5
461.10797	1.1
493.24136	0.6
508.96136	0.5
552.31128	0.9
597.12549	80.7
598.12799	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	597.1255
Annotation	Pterogynoside
Peak:m/z	Relative Intensity
54.05394	0.1
56.33762	0.1
65.00328	1.8
67.01907	0.3
68.99830	0.3
79.01868	0.1
82.00629	0.6
83.01407	0.2
91.01904	0.6
92.99828	0.2
93.03490	0.4
95.01392	1.7
96.99325	0.5
99.00874	0.2
107.01423	0.7
108.02185	0.5
109.02946	0.3
110.00107	3.5
111.00893	9.5
114.66322	0.2
117.03465	1.2
119.05034	4.6
121.02917	0.3
123.00900	1.5
123.04520	1.0
125.02463	1.3
129.07063	0.1
131.05070	0.2
133.02963	0.7
136.98819	1.7
137.02473	0.8
137.99577	1.0
139.00392	11.9
141.01955	0.5
141.03406	0.1
143.05026	0.7
145.02980	0.2
145.06581	0.2
151.00391	4.1
152.00990	0.1
153.01997	0.2
155.05016	0.2
157.02933	0.1
157.06613	0.3
158.03764	0.2
159.04539	0.2
161.02454	2.0
163.00403	0.6
164.01242	0.3
164.98322	1.6
165.01950	1.4
165.99101	2.2
166.99878	3.2
167.03539	1.1
167.05032	0.5
169.02982	0.2
169.06630	1.0
171.04547	0.9
173.06131	0.7
177.01855	0.2
178.99898	0.7
179.05048	0.4
183.04605	0.3
185.02550	0.3
185.06090	1.1
187.04034	0.4
189.05527	0.3
190.99876	0.8
192.00679	0.9
195.04524	0.8
197.02382	0.2
197.06163	0.6
198.03189	0.2
199.04015	0.9
205.55124	0.1
211.04059	0.7
212.04819	0.4
213.05582	1.4
214.02728	0.4
215.03523	0.2
217.05130	1.1
223.04050	3.0
225.01987	1.1
227.03552	0.2
239.03465	1.2
241.05034	0.7
242.02238	0.6
243.03040	0.4
255.02980	0.3
257.04623	0.5
267.02930	1.1
269.04547	0.2
270.04825	0.2
283.02451	1.1
284.03290	6.6
285.04059	100.0
286.04425	2.6
299.05585	0.4
326.04733	0.2
327.05173	0.7
429.08218	1.9
435.09070	0.2
435.49493	0.2
442.34900	0.1
447.09198	1.4
597.12518	16.5
598.12744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1261
Annotation	Pterogynoside
Peak:m/z	Relative Intensity
59.01129	0.7
59.01379	3.5
61.98834	1.1
65.00329	2.7
71.01394	2.9
71.39762	0.5
73.02951	0.9
83.01398	1.6
85.02987	1.0
86.02496	1.0
89.00681	1.9
91.00259	1.2
92.15492	0.5
97.02958	0.6
101.02460	1.5
103.04045	0.6
107.01424	4.7
108.02208	1.6
109.02966	8.9
113.02428	0.7
115.02244	1.3
116.02619	0.8
116.92866	1.2
117.01820	0.6
119.05058	0.9
121.02958	1.3
123.04543	2.9
124.01646	0.7
125.02476	0.9
127.08796	0.9
128.03548	5.3
129.03896	0.7
133.02979	13.3
134.03816	0.6
135.01202	0.5
135.04538	1.1
137.02429	0.7
149.02487	3.1
149.99678	0.5
151.00395	8.4
152.01198	1.1
153.01962	12.5
159.04475	0.5
167.03561	3.2
171.07771	4.6
172.08107	1.3
175.04028	5.2
177.01947	0.6
185.06094	0.7
197.06039	0.7
198.03123	0.8
199.03979	4.5
201.01971	1.4
211.04012	1.3
213.05595	1.3
215.03511	0.8
215.06816	0.6
217.05086	1.9
224.06551	0.6
227.03590	0.7
239.03487	0.6
240.04414	0.7
241.05127	1.8
242.02113	0.6
243.02878	1.0
256.03830	2.0
257.04651	1.0
267.02979	0.6
283.02518	1.4
284.03305	16.7
285.04074	100.0
286.04398	3.5
297.06238	2.2
299.05640	27.3
300.06027	0.6
327.05054	0.7
344.14114	0.8
362.15112	1.0
447.09213	0.9
461.10947	0.9
534.38873	0.6
597.12561	88.9
598.12775	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	597.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01129	0.7
59.01379	3.5
61.98834	1.1
65.00329	2.7
71.01394	2.9
71.39762	0.5
73.02951	0.9
83.01398	1.6
85.02987	1.0
86.02496	1.0
89.00681	1.9
91.00259	1.2
92.15492	0.5
97.02958	0.6
101.02460	1.5
103.04045	0.6
107.01424	4.7
108.02208	1.6
109.02966	8.9
113.02428	0.7
115.02244	1.3
116.02619	0.8
116.92866	1.2
117.01820	0.6
119.05058	0.9
121.02958	1.3
123.04543	2.9
124.01646	0.7
125.02476	0.9
127.08796	0.9
128.03548	5.3
129.03896	0.7
133.02979	13.3
134.03816	0.6
135.01202	0.5
135.04538	1.1
137.02429	0.7
149.02487	3.1
149.99678	0.5
151.00395	8.4
152.01198	1.1
153.01962	12.5
159.04475	0.5
167.03561	3.2
171.07771	4.6
172.08107	1.3
175.04028	5.2
177.01947	0.6
185.06094	0.7
197.06039	0.7
198.03123	0.8
199.03979	4.5
201.01971	1.4
211.04012	1.3
213.05595	1.3
215.03511	0.8
215.06816	0.6
217.05086	1.9
224.06551	0.6
227.03590	0.7
239.03487	0.6
240.04414	0.7
241.05127	1.8
242.02113	0.6
243.02878	1.0
256.03830	2.0
257.04651	1.0
267.02979	0.6
283.02518	1.4
284.03305	16.7
285.04074	100.0
286.04398	3.5
297.06238	2.2
299.05640	27.3
300.06027	0.6
327.05054	0.7
344.14114	0.8
362.15112	1.0
447.09213	0.9
461.10947	0.9
534.38873	0.6
597.12561	88.9
598.12775	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	597.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16513	1.3
64.90094	1.2
65.00328	10.5
65.99831	1.3
68.99804	1.4
69.30167	5.8
76.63237	1.2
89.00376	2.2
92.45184	1.2
95.01380	2.5
96.99282	1.4
105.03410	1.7
108.02185	1.5
111.00887	4.9
118.00578	2.0
119.01411	1.3
123.00832	1.4
124.00594	1.0
124.00771	1.2
124.01675	10.6
128.11241	1.3
136.01680	2.6
136.98819	7.8
139.00352	8.9
146.00151	3.5
152.01146	9.2
157.06511	1.4
160.98891	1.6
164.03648	1.5
164.98302	4.6
166.99870	4.2
171.04453	1.6
171.08115	1.3
173.06100	1.5
173.99594	8.4
177.01901	1.6
185.06003	1.9
188.98322	1.6
192.02971	2.6
197.06189	1.2
201.99081	18.1
221.00932	2.7
221.06075	1.5
222.06741	1.6
225.05562	5.2
227.07076	2.2
229.98567	9.3
241.05031	4.7
242.08113	3.0
243.06581	33.5
244.06947	1.6
244.81561	1.2
244.97374	2.1
249.60071	1.4
250.06366	2.5
253.04993	5.6
256.97299	1.7
257.98029	5.7
265.04874	1.3
269.04501	5.9
270.07657	4.8
271.06113	100.0
272.06491	2.9
278.05869	5.6
283.02457	3.9
283.09689	2.2
285.04187	2.2
285.97559	22.3
298.07220	2.9
300.96387	2.3
306.05231	3.1
311.09375	3.3
312.96237	5.4
313.97009	15.7
314.97882	1.4
325.07202	8.8
334.04813	9.4
355.08145	2.4
361.07211	1.6
362.04147	6.1
389.07065	2.3
390.03784	5.5
398.14090	4.2
405.06107	4.2
417.02350	8.7
418.03259	29.1
431.07504	4.1
433.05716	1.7
463.60620	1.3
476.06320	1.6
491.16553	3.1
494.10226	2.4
519.12769	1.3
521.08685	7.2
522.09821	10.6
537.11963	30.5
538.12018	2.3
565.11469	72.2
566.11560	5.8
580.12036	2.2
597.17816	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	597.147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96165	1.4
57.03440	1.7
59.01385	40.1
61.98820	5.5
64.66869	1.7
69.19276	8.7
71.01382	18.7
72.99299	1.8
78.91900	1.6
85.02950	5.3
89.02445	18.1
91.01900	5.3
95.01379	2.3
98.22598	4.2
101.02438	8.9
108.02181	61.6
109.02971	25.3
113.02427	8.1
119.03476	9.4
123.00853	2.1
123.04547	14.7
135.04547	1.7
147.04501	2.1
151.00424	13.2
152.01158	100.0
153.01944	27.7
162.03218	3.0
163.03963	5.1
166.02719	31.0
167.03506	19.7
167.07820	1.5
175.03975	5.6
177.05589	2.9
178.11765	1.6
179.03479	2.6
179.05580	2.1
181.05074	56.6
190.06288	4.5
198.58443	1.5
205.08742	7.8
205.95139	1.6
221.94444	1.5
315.07150	1.8
323.09219	3.8
339.08832	4.2
342.11172	1.6
357.13321	5.2
369.13632	3.3
387.14575	19.5
388.14633	1.7
393.15607	2.1
399.14487	5.1
405.15640	3.2
429.10400	19.6
447.11499	8.7
493.24377	3.0
541.42334	1.7
553.26752	2.2
580.65027	1.9
597.14667	92.9
598.14801	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	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.3
65.82559	1.4
71.01390	6.7
79.14471	1.4
81.03465	7.9
83.01385	6.7
86.85439	1.2
89.02462	5.2
93.03458	3.0
95.01374	2.1
95.05014	5.4
96.37136	1.4
97.02948	6.0
99.04546	1.8
101.02431	1.9
106.86861	1.4
107.05035	3.7
109.02930	3.3
109.06537	1.3
111.04501	2.8
111.57063	1.4
113.02467	3.8
119.05083	6.9
121.02948	3.8
121.06643	1.6
122.03786	1.4
123.04534	14.1
125.02454	10.2
135.04530	4.8
137.02446	7.3
137.06094	6.1
139.04016	8.9
147.04539	3.6
149.02473	2.0
149.06023	1.8
151.04036	5.0
153.05600	2.4
163.04005	3.4
165.01952	27.4
165.05524	6.9
167.03511	26.0
175.03944	2.2
179.03499	11.3
179.07034	1.4
180.04305	15.8
181.05042	3.2
189.05589	7.5
193.05022	4.1
195.05003	2.0
195.06656	21.7
197.04512	6.9
207.06677	2.8
209.04573	27.2
210.05347	1.6
221.04559	5.2
225.07707	19.2
235.06070	1.6
239.05693	13.1
251.05595	4.7
263.05533	1.5
269.06625	1.8
273.07724	3.2
281.06381	1.6
315.08704	15.5
327.08713	6.9
345.09686	6.5
357.09808	100.0
358.10172	3.2
369.09451	3.3
387.10849	77.4
388.11063	4.0
393.15179	1.9
399.10867	3.2
417.11926	25.3
418.12314	1.5
429.11737	1.8
441.11819	2.1
459.13013	13.6
477.14044	15.9
489.14029	4.9
507.15051	3.2
597.17798	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	597.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62235	0.4
57.03468	0.5
65.00336	1.0
65.99848	1.1
68.99819	0.9
69.82954	0.9
70.07925	0.3
70.12737	0.4
81.03474	1.0
82.02991	1.2
85.02934	0.4
93.73183	0.3
94.02992	0.7
95.01363	0.5
96.00907	1.1
98.02491	1.0
100.04037	0.6
109.01711	0.6
109.06608	0.5
110.02503	4.0
110.90047	0.4
111.04526	0.5
115.97454	0.3
120.00897	0.8
122.02499	1.2
123.03284	5.2
123.04144	0.5
123.04585	0.6
124.00382	0.6
134.02502	5.4
135.03282	6.2
136.00433	3.0
136.04066	0.6
136.98726	0.4
138.01984	2.3
148.04047	0.6
151.02773	5.8
151.03931	0.3
155.02257	1.3
156.08112	1.7
163.99925	0.5
165.00687	1.0
166.01430	1.8
169.06538	0.5
171.04567	1.0
173.06100	1.3
174.03262	4.3
175.99902	0.4
176.03615	0.4
179.02444	0.4
180.08176	0.5
184.07681	0.9
187.07700	0.4
190.01431	0.7
192.03038	3.3
197.06116	0.7
200.07166	1.3
206.02196	0.8
208.07738	0.4
211.07632	0.5
214.08751	0.4
224.07208	1.3
225.05453	0.5
226.08759	2.9
227.07162	0.7
228.06622	2.2
232.07611	0.4
237.09235	0.6
242.08247	46.4
243.08560	0.9
250.06369	0.6
250.08827	1.0
252.06665	1.5
260.56512	0.4
265.08710	4.8
268.06229	1.2
269.06912	1.0
270.07730	100.0
271.08096	3.5
276.06674	0.4
277.10303	0.4
278.04874	0.5
280.06152	0.4
282.11292	0.5
290.08237	1.0
291.06604	1.0
294.07758	2.1
296.09259	1.1
307.08524	0.4
308.09244	5.3
326.10361	4.4
380.13089	0.8
382.10910	1.3
398.13989	19.5
399.14359	0.9
409.10385	0.7
468.14682	2.2
509.17368	3.2
561.15704	1.9
579.17694	1.6
597.18774	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	597.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23800	2.0
56.24067	1.5
59.01389	3.5
65.00321	7.6
65.99862	5.0
68.99828	3.1
69.07530	10.6
71.01357	1.5
72.99356	1.6
73.86122	1.8
81.03490	2.1
82.02983	11.5
83.05043	2.1
94.97409	1.5
95.01408	2.2
96.00939	4.7
98.02464	3.3
100.04062	6.0
108.04577	2.5
109.02938	1.8
109.06587	5.8
110.00147	1.6
110.02481	3.0
110.06099	4.1
111.04531	8.0
120.00915	2.5
121.01681	2.0
123.03285	3.0
124.04056	3.4
134.02522	2.4
134.06128	4.4
135.03349	2.2
136.00418	6.3
136.04028	8.4
136.98927	2.2
140.03558	1.8
141.07162	1.7
145.06531	2.8
148.04114	3.6
151.02771	2.0
152.07196	4.2
154.05093	2.8
156.08141	3.2
163.99899	3.4
165.00641	9.7
169.06572	3.4
171.04503	14.5
180.08211	4.8
184.07729	4.6
190.01424	4.1
192.02956	2.5
196.06238	3.4
197.06190	1.7
201.07291	1.6
201.50932	1.8
203.07224	1.9
206.09673	3.2
220.07761	3.2
222.09381	1.9
226.08800	10.4
226.10625	1.7
227.07178	2.2
228.03085	2.1
231.67572	1.8
232.07748	2.0
240.06650	1.9
242.08287	22.0
248.07266	3.1
250.08745	4.2
252.06662	5.1
255.06677	2.1
263.09503	2.3
266.04773	2.1
266.08014	1.9
268.06131	14.3
269.04459	4.0
269.07019	6.8
270.04990	4.3
270.07715	53.6
271.08243	2.7
276.06580	3.7
278.04626	6.8
278.08020	2.2
280.06049	3.8
285.03763	3.0
286.07233	2.1
294.07672	10.8
296.05615	5.6
306.07950	1.8
326.06760	3.7
332.09265	3.2
338.12042	2.3
348.08829	1.9
350.10336	7.4
357.10553	2.4
364.07950	2.2
372.12408	7.5
373.12024	1.7
374.10501	2.8
375.09760	3.6
380.12961	13.0
382.10870	20.5
393.11053	6.4
398.14023	90.8
399.14246	6.0
406.12860	5.6
415.12994	27.4
424.11938	2.7
448.14621	2.4
459.12280	2.3
465.15369	4.6
478.16910	2.1
517.15002	4.6
521.17224	14.3
522.15942	2.3
565.15808	3.9
566.14386	5.4
579.17401	6.0
597.18835	100.0
598.19049	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	597.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15648	1.0
58.00570	1.1
59.01384	65.7
61.05939	0.9
61.98833	13.0
64.16303	1.0
65.00323	1.0
69.39018	4.9
71.01388	34.1
72.99329	2.6
73.02937	1.2
83.01385	2.4
85.02953	6.1
87.00851	1.7
89.02450	40.9
91.01908	2.7
95.01375	2.3
96.93285	0.9
98.22601	2.2
98.25863	0.9
99.00916	1.0
99.92594	1.8
101.02446	17.6
102.05608	1.3
108.02187	27.4
109.02971	9.0
113.02462	14.2
116.07148	0.9
119.03514	18.0
121.02977	2.1
123.00916	3.2
123.04559	5.1
124.01678	1.1
125.02428	1.5
128.03580	1.6
131.03487	2.0
135.04486	1.0
137.02377	2.0
138.03282	1.5
139.00359	2.0
139.04030	1.2
143.03508	2.4
147.04533	2.6
149.02446	1.6
149.04640	1.3
149.06113	1.1
150.03230	3.6
151.00388	28.7
152.01167	43.5
153.01932	10.0
161.04593	1.6
162.03276	1.1
163.03978	2.0
165.01927	2.3
165.05573	4.0
166.02724	58.5
166.99800	1.5
167.03540	9.0
174.03239	2.2
175.04030	11.2
176.04851	1.5
177.05637	1.3
179.05630	6.5
181.05077	100.0
182.02301	1.4
182.05426	3.0
189.05635	1.4
190.06364	10.9
191.03493	1.4
191.07071	1.4
193.05136	1.1
195.06651	1.4
197.04646	5.6
203.03429	1.3
205.05156	1.3
205.08698	15.7
221.08202	3.1
265.05139	1.6
285.03998	1.9
286.53683	1.1
291.06366	1.1
293.04581	3.4
295.52594	1.2
301.03433	1.7
307.06140	1.1
308.06830	3.2
309.07526	1.7
323.09296	6.4
327.08792	1.2
338.11682	5.1
339.08685	4.9
342.11105	2.4
354.11142	1.6
357.09402	1.3
357.13342	3.6
369.09393	1.5
369.13443	7.3
372.11948	1.9
375.14432	1.1
387.14514	43.4
388.14883	1.9
393.11819	2.2
399.14609	9.0
405.15472	3.5
417.15552	3.3
424.63437	1.1
429.10352	7.7
440.44644	1.2
440.83737	1.1
447.11447	3.7
597.14624	34.3
597.29828	2.2
598.14685	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	597.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
57.03453	2.5
59.01384	100.0
65.00372	1.3
69.30006	6.4
71.01385	57.7
72.99321	8.7
73.02962	2.4
83.01393	2.6
85.02956	10.0
87.00901	2.6
89.02450	59.0
95.01408	4.6
99.00928	3.1
101.02448	27.3
105.03470	3.1
108.02118	2.6
113.02454	22.4
119.03513	25.0
121.02967	4.2
123.04539	5.2
131.03482	2.9
135.04556	4.3
137.02466	2.2
143.03532	4.1
149.02441	14.1
149.04539	2.4
151.00368	2.9
151.04004	7.8
152.01195	4.9
153.05563	1.9
161.02466	23.3
161.04530	3.1
164.98380	2.2
165.01897	9.0
166.02728	4.6
167.03514	11.0
176.04802	12.2
176.44525	1.2
177.01939	92.8
178.02388	2.3
179.03517	34.9
179.05640	4.0
180.04240	4.9
181.05069	11.8
191.07196	4.3
192.04305	77.0
193.04703	1.6
194.05850	29.5
195.02951	1.4
195.06616	5.4
205.08606	1.6
207.06636	96.1
208.06943	3.3
209.08209	43.7
209.10233	1.5
210.05405	3.5
225.07683	13.7
269.04584	4.2
288.85944	1.2
313.81003	1.4
315.10880	4.9
354.86197	1.3
369.13321	1.6
387.13556	3.8
393.15585	2.6
429.14102	6.7
447.15103	2.2
597.17584	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	597.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04807	1.4
54.94057	1.2
59.01381	19.7
65.43031	1.3
69.47447	5.1
71.01387	5.7
73.02943	1.5
79.95752	1.5
85.02934	1.5
89.02440	4.2
96.96003	4.0
97.30255	1.4
98.22668	2.1
101.02479	2.4
108.02182	4.3
109.02956	18.8
111.07121	1.3
113.02451	3.0
119.03507	1.5
121.03062	1.8
123.00920	1.5
123.04533	1.8
136.01669	29.2
137.02396	2.2
145.02960	1.6
150.99159	1.3
151.00386	5.1
151.04021	47.0
152.01122	7.2
153.01930	2.3
153.12315	1.3
158.03719	1.7
159.04504	1.6
160.05316	4.0
166.02713	11.8
167.03499	2.0
173.34192	1.5
175.04031	1.7
175.07631	3.5
178.06387	2.1
181.05081	19.2
187.04144	1.4
190.06427	2.0
191.52827	1.2
193.08727	3.3
205.08737	1.9
239.07188	3.6
267.06628	42.4
282.08987	45.0
297.11334	100.0
298.11700	3.6
312.06281	2.0
315.12381	18.5
327.08734	1.7
339.08566	1.4
342.11017	4.9
345.13446	90.5
346.13760	4.9
357.09543	2.5
357.13504	19.6
375.14609	12.2
387.14691	9.1
405.15561	5.0
417.15433	5.0
435.16476	3.9
469.63022	1.4
507.18765	5.3
597.14856	4.8
622.16803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
56.50264	1.0
57.03447	1.5
58.00598	1.4
59.01384	70.3
69.50429	4.6
71.01389	31.1
71.12603	0.9
72.99304	0.9
73.02941	1.1
75.37524	1.4
81.81095	0.9
83.01403	1.4
85.02968	4.7
87.00880	1.5
89.02455	41.1
95.01390	2.4
96.95990	2.2
101.02457	16.5
108.02177	6.1
109.02958	3.9
109.65421	1.0
113.02461	13.2
119.03520	16.6
123.00892	3.8
123.04565	1.4
131.03540	2.1
138.03236	1.5
139.00327	1.1
143.03535	2.9
147.04585	2.2
149.04558	2.1
151.00386	29.8
152.01164	10.9
153.01949	3.3
159.73137	1.0
161.04608	2.4
162.18684	1.0
165.01997	1.1
166.02730	59.7
167.03398	3.3
174.03218	1.1
175.04005	10.2
176.04683	1.9
179.05646	8.8
181.05081	100.0
187.04066	1.3
190.06374	7.5
205.05228	1.2
205.08704	15.5
264.04553	1.0
268.07382	1.0
293.04630	1.8
294.05014	1.1
307.06195	1.3
308.06931	2.4
309.04068	1.4
323.05762	1.2
323.09113	5.0
327.08759	1.7
338.11392	2.5
339.08633	3.0
342.11325	1.5
354.10983	1.6
357.13354	3.6
369.13440	6.9
372.11984	1.2
387.14508	47.1
388.14713	1.2
399.14587	10.5
405.15573	3.9
417.15656	2.8
429.10544	1.6
447.11725	1.2
597.14429	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	597.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34101	1.7
54.57322	1.5
57.31194	1.5
57.75892	1.5
59.01387	57.3
61.98830	2.0
63.24040	1.7
67.15086	2.1
69.34437	8.5
71.01372	3.2
73.07585	1.6
78.61864	1.5
89.02447	2.6
108.70240	1.5
115.13860	1.8
116.92897	1.7
121.03024	2.2
122.03753	7.1
123.00927	3.1
124.01641	2.3
137.02426	5.3
139.03996	2.2
146.03758	10.2
149.02470	16.6
150.03246	60.6
151.00374	12.4
151.03859	2.0
161.06055	3.3
164.04813	11.0
165.05580	79.2
166.02736	42.4
167.03561	1.6
175.04073	2.5
179.07132	25.2
180.04269	5.0
181.05077	53.5
185.19656	1.7
190.06343	2.0
195.06639	100.0
205.08737	2.3
276.67908	1.7
297.04257	3.6
312.06302	5.1
312.09808	2.2
327.08743	6.6
327.12369	12.0
342.11002	11.2
357.13470	24.8
375.14520	19.6
375.64209	1.7
387.10757	7.3
405.15515	20.7
417.15579	36.9
435.16241	2.2
597.15100	2.4
605.75836	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	597.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	14.4
69.10378	100.0
82.72985	18.7
88.67317	13.8
119.04992	22.7
121.02956	28.6
122.02482	51.1
164.98334	19.0
165.14719	14.6
285.04062	29.7
286.04764	16.2
297.15421	24.9
309.50430	14.2
501.24164	14.4
554.22369	17.5
554.92249	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	597.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03450	2.7
58.57592	0.5
59.01387	21.6
59.29644	0.5
61.98848	0.9
69.03450	1.1
69.18146	3.7
71.01392	19.8
72.99308	3.7
73.02954	6.5
75.00884	15.1
77.55610	0.7
78.95903	0.9
81.03487	0.6
83.01396	1.5
85.02962	19.2
87.00888	4.1
89.02462	6.2
95.01408	2.3
97.02951	1.1
99.00903	7.0
101.02458	7.6
112.15613	0.6
113.02464	14.6
115.00394	1.6
117.01995	0.5
121.36158	0.5
123.04487	0.7
125.02460	1.5
131.03496	0.9
133.02963	1.1
134.06099	0.6
139.00356	0.6
143.03465	0.7
150.04401	0.6
153.01945	0.8
157.01418	0.8
159.02969	0.7
161.04535	2.5
167.03493	0.7
175.02512	1.3
196.02618	0.6
245.38661	0.7
246.97186	1.1
284.03238	1.9
285.04077	6.6
289.16467	1.3
289.56921	0.6
421.20886	1.4
429.16461	0.7
434.31284	0.7
477.24951	0.9
597.24060	100.0
598.24261	4.7
617.94025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14978	0.3
55.01883	2.6
55.95088	0.4
57.03460	2.5
58.00604	1.5
59.01387	100.0
59.98009	0.3
67.01897	0.3
69.03461	2.6
69.07138	2.6
71.01390	60.4
72.01733	0.4
72.66714	0.3
72.99320	2.0
73.02955	20.8
75.00889	1.0
78.27998	0.3
81.03452	1.5
83.01397	8.0
85.02961	15.8
86.00129	1.2
87.00892	10.3
89.02456	65.0
95.01389	3.0
97.02967	7.2
99.00888	4.2
99.04523	0.5
101.02458	44.6
102.02798	0.5
103.47721	0.3
108.43291	0.3
109.02943	0.5
111.00909	1.4
111.04541	0.6
113.02469	20.7
115.04016	0.6
119.03525	8.9
121.02959	0.9
123.00880	0.6
125.02470	17.8
127.03989	0.5
129.01912	0.5
131.03528	31.7
135.13594	0.3
139.04010	0.7
141.01965	0.4
143.03528	5.8
149.04579	34.6
155.03532	0.5
159.02995	0.9
161.04585	10.8
167.03502	1.2
179.05647	12.8
191.05630	17.8
192.97571	0.4
203.05634	3.5
215.05603	0.5
221.06662	10.1
221.08649	0.7
227.05513	0.4
233.06662	0.6
245.06628	1.1
251.07729	0.6
263.07700	3.7
267.12585	0.4
275.07739	0.7
293.08755	0.7
303.14243	0.5
305.08853	0.4
344.27625	0.3
387.16379	0.5
393.17719	19.8
394.17865	0.9
405.17728	4.5
423.18927	1.5
435.18988	1.0
437.13226	0.4
459.01044	0.4
465.19968	0.5
537.21936	15.0
555.22974	56.5
556.23517	2.6
572.35187	0.4
597.14850	0.5
597.24078	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	597.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73946	6.3
58.20715	7.1
59.01391	100.0
61.98829	10.7
65.24223	7.0
69.41284	18.7
69.41693	12.0
71.01387	26.7
73.02942	14.9
76.98143	7.1
85.02969	13.3
88.98831	15.6
89.02471	7.9
89.94772	7.0
96.96032	26.2
97.03004	9.0
98.21819	9.9
101.02441	13.9
109.01478	7.0
113.02489	15.1
121.06581	32.4
149.73679	8.3
165.05627	12.5
195.06570	7.0
269.19131	45.8
284.03305	10.5
313.18173	34.4
331.19104	61.9
393.15280	6.8
493.24487	63.1
511.25296	14.7
533.17004	6.8
553.26447	50.1
568.08118	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	597.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09316	1.6
57.03474	2.1
59.01386	100.0
61.98822	3.4
64.50608	1.6
67.07600	1.5
68.76841	1.4
69.92303	1.9
69.92654	5.0
71.01391	17.0
72.99306	1.8
73.02951	9.3
81.03468	1.6
83.01401	7.2
83.05034	6.0
85.02970	9.4
86.00100	3.8
87.10432	1.4
89.02448	3.1
94.98975	1.5
96.96007	3.0
99.00867	2.9
101.02461	20.3
101.91719	1.6
112.37727	1.7
113.02443	8.8
113.49942	1.4
119.91187	1.6
129.04205	3.3
161.04539	2.3
216.96541	1.4
243.17192	3.8
244.17398	2.6
305.21057	4.4
349.23767	4.8
381.09784	2.0
399.05219	1.5
447.22424	2.1
449.25546	11.9
467.26437	10.7
475.22919	1.8
493.24503	16.5
511.25671	3.3
553.26666	23.5
596.40302	13.0
597.40594	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03447	2.0
58.00589	1.5
59.01383	100.0
61.98837	3.5
69.50978	5.1
71.01387	16.9
72.99319	1.7
73.02953	9.6
75.00873	4.7
77.87739	1.2
78.10493	1.1
78.24221	1.5
78.95914	12.4
80.93057	1.2
82.53373	1.2
83.01389	8.3
85.02963	7.6
85.04104	1.1
86.00117	3.3
87.00906	2.1
89.02448	7.1
89.82279	1.3
93.65109	1.1
95.01411	1.6
96.96023	1.7
99.00879	2.9
99.04485	1.3
101.02443	21.1
108.02122	1.3
113.02485	8.0
116.01147	1.5
116.92910	1.6
119.03539	1.8
123.04546	1.4
125.00029	1.1
125.02425	2.1
129.04224	6.5
129.48116	1.3
139.04094	1.3
153.03242	5.1
161.04607	3.0
167.03491	4.6
174.50989	1.1
179.03387	1.6
181.12242	1.4
183.06546	1.3
209.04646	2.5
209.09499	11.9
251.05563	1.6
257.35629	1.2
305.21228	5.3
349.23932	2.8
357.09912	7.4
387.10883	6.1
417.11923	1.5
446.89215	1.3
449.25348	6.8
467.26492	10.7
475.23206	1.7
493.24670	3.5
497.15897	1.3
553.26544	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	597.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.2
59.01388	100.0
61.98840	6.3
71.01395	23.5
71.93600	3.2
73.02934	6.8
85.02949	13.7
89.02472	6.7
99.00887	5.7
101.02457	15.2
102.01749	3.1
113.02451	10.4
115.35666	2.8
119.05024	3.3
122.02468	3.1
140.98599	2.6
167.03485	3.0
245.11858	3.3
262.20718	3.1
338.97827	3.0
429.25497	3.0
467.26437	10.7
540.78888	3.4
553.26587	96.9
553.34717	6.0
554.27136	4.3
610.32050	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	597.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76644	2.3
55.54410	2.3
59.01384	100.0
61.98822	3.9
65.83241	2.1
71.01386	14.9
73.02956	9.8
82.96898	2.2
83.01384	3.2
84.16932	2.2
85.02961	8.3
89.02463	4.8
96.96017	4.0
98.21883	4.8
99.00932	3.6
101.02438	10.1
113.02470	8.2
116.92856	2.9
119.05049	3.4
135.04518	7.3
150.03230	4.0
160.46837	2.6
161.04538	3.4
165.05521	4.5
175.04047	2.4
187.11238	2.6
192.04216	5.3
196.02631	4.3
283.02185	2.5
285.03931	8.0
305.21219	34.6
349.20041	5.1
363.55573	2.6
365.03149	2.6
449.25436	14.4
467.26434	8.6
477.24933	5.8
509.27536	9.6
523.22345	2.4
537.26959	3.6
553.26801	11.0
597.14056	3.2
597.23724	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	597.283
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43584	14.5
104.87138	7.8
110.61113	8.9
119.05067	13.0
121.63358	8.7
122.02516	100.0
122.69537	8.7
135.04500	8.7
177.54355	9.3
229.80711	9.3
284.03223	9.9
444.59027	8.7
555.96289	9.1
597.26678	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	597.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
57.24749	0.9
59.01386	100.0
59.43037	0.8
71.01022	1.4
71.01387	18.8
72.99318	2.8
73.02942	3.9
75.00880	8.7
82.95435	1.0
83.01368	1.4
85.02959	14.9
87.00872	3.9
89.02451	5.5
95.01383	2.5
97.02959	2.6
99.00913	4.5
99.28087	1.0
101.02458	6.8
112.01707	1.2
112.86595	0.9
113.02460	13.9
123.71686	0.7
131.03474	1.7
162.19443	0.9
171.07744	2.4
180.05554	0.8
185.70959	0.8
223.15015	0.8
261.60147	0.9
333.20709	5.2
477.24988	69.3
478.25302	3.6
495.26016	9.1
537.27106	17.8
538.27148	1.2
597.24030	54.4
598.24597	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	597.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05817	0.5
58.13799	0.4
59.01368	1.2
66.83370	0.5
69.34573	2.4
78.91900	0.4
80.88705	0.4
81.03007	0.9
81.03466	12.8
81.87261	0.4
83.05034	38.5
96.96022	1.0
98.21879	0.8
100.07693	5.8
101.02393	0.6
103.81063	0.4
126.05612	1.1
199.18159	6.7
225.16103	8.6
243.17131	17.9
244.17296	0.6
269.15161	1.1
301.07376	0.5
309.22012	1.2
353.20865	6.5
451.32629	2.2
469.33975	13.7
579.37427	2.5
597.38715	100.0
598.39001	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	598.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.1
65.00325	14.3
70.15105	8.7
87.00851	3.9
90.03528	3.4
91.01886	3.2
92.05077	4.6
93.03487	4.5
94.03004	57.4
95.01382	19.9
96.99336	5.0
97.02960	6.4
99.00880	7.1
109.02945	7.5
111.00877	5.1
115.05560	3.9
118.02989	6.5
119.05049	13.7
120.00886	3.3
120.04550	5.8
121.02979	6.7
121.32148	3.5
122.02461	6.1
123.00896	14.9
129.02193	4.1
131.05031	22.0
132.00949	3.5
133.01712	4.1
134.02466	4.9
136.04059	14.4
136.98828	5.0
137.02441	9.1
141.91153	3.8
142.02925	3.6
147.04536	7.8
148.04057	14.6
149.01163	6.4
152.03439	3.5
153.01939	6.5
161.06140	4.1
162.01927	4.2
164.03552	30.2
164.98219	4.4
165.00635	5.0
169.06604	3.9
171.04535	10.1
173.05994	4.0
174.01974	6.7
175.04057	4.0
180.02887	3.6
182.99626	3.2
186.01990	4.5
192.03038	86.2
194.99318	12.9
195.08159	4.2
200.03568	3.2
202.01376	4.3
211.99980	6.5
213.05562	4.0
214.01447	5.0
223.07706	4.3
229.05029	5.5
230.01056	4.5
238.01416	4.6
239.99336	19.3
241.00075	7.3
241.05103	5.9
242.00909	8.1
242.08266	5.0
243.06509	4.5
244.06503	3.5
245.04536	4.3
254.00943	7.1
267.06631	9.2
268.99689	5.9
269.04532	22.7
270.04831	5.2
270.07697	17.7
272.01981	3.9
280.06143	17.5
282.00473	7.3
283.06036	4.2
285.99728	4.4
288.01416	3.6
296.05713	4.3
298.07220	100.0
299.05438	19.6
309.99945	4.5
311.00595	6.5
312.01260	3.5
322.07025	4.0
325.07101	7.4
329.06714	26.8
337.99478	10.8
346.07193	4.3
352.08502	4.1
364.08109	4.0
370.01956	16.1
376.08569	4.0
392.07761	11.4
450.08237	7.4
458.05557	4.0
474.08438	11.4
476.06348	42.5
477.06921	4.0
494.07117	5.1
538.11761	4.7
566.10944	12.8
580.12451	70.0
580.20874	5.6
581.12585	5.4
595.98175	3.7
598.13080	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19288	9.0
61.98822	10.2
69.97179	26.8
75.41043	8.8
83.01422	11.0
119.05045	17.4
122.02515	100.0
183.03465	10.5
284.03430	21.3
310.90903	11.6
458.14590	10.7
598.27277	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	598.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20203	100.0
103.32711	74.1
122.18375	74.1
159.66301	62.7
217.80699	75.7
321.82419	68.0
327.19113	78.7
330.79205	87.9
353.33029	70.0
384.47321	73.5
570.65662	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13498	9.7
57.80439	9.6
61.98824	23.1
70.22343	10.3
71.13145	12.1
73.04071	28.5
78.45420	9.0
78.95908	26.6
80.13326	10.6
96.96943	10.9
107.56142	9.1
130.08746	83.6
152.99602	30.0
164.20927	10.5
199.18158	27.0
226.21866	11.0
243.16992	11.4
256.20258	27.7
283.23892	35.4
284.24051	12.4
356.30365	9.6
441.37195	10.8
535.18048	11.4
567.41022	84.3
568.41400	55.3
579.41602	12.6
597.42407	100.0
598.42688	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75111	0.5
55.01884	1.1
55.68579	0.6
57.03462	1.7
57.95184	0.5
59.01384	100.0
61.98835	0.8
65.00334	2.7
66.13772	0.6
69.03460	1.4
71.01389	20.5
71.02946	0.6
72.99320	0.6
73.02955	7.2
75.00880	0.7
81.03461	1.3
83.01389	4.1
85.02968	10.7
87.00903	1.9
87.04504	0.7
89.02467	3.2
93.03467	1.9
95.01402	2.8
97.02969	2.3
99.00895	3.5
101.02455	13.9
107.01405	2.3
110.00076	1.2
111.00880	0.9
113.02458	10.5
115.04018	0.6
117.03480	2.1
119.03493	1.0
119.05030	1.1
121.06588	1.3
125.02449	3.5
133.02988	1.7
134.03770	4.8
135.04596	5.5
136.98837	0.9
137.02461	2.7
139.00400	0.9
143.03529	6.0
147.08136	0.8
148.96014	0.6
149.06036	0.6
151.00383	8.7
154.29420	0.6
159.03030	2.4
159.04507	1.1
159.06560	0.5
161.02492	1.2
161.04565	14.6
163.00302	0.6
164.98312	0.8
165.99062	2.6
171.04509	1.0
173.19264	0.6
175.04022	1.7
182.03661	0.8
183.04475	1.0
185.02414	0.6
187.03935	0.9
193.05045	5.3
194.05408	1.8
199.03992	0.9
226.02580	0.8
227.03557	4.0
243.06618	1.0
255.03020	4.3
256.03683	1.1
269.04648	1.0
285.04013	7.7
286.04453	7.3
287.05157	7.6
300.02802	1.0
335.22308	1.8
345.07529	1.0
353.23425	3.5
371.05212	0.7
387.05179	0.8
389.06876	1.0
391.04709	2.9
395.24338	3.0
403.04666	1.4
416.05383	2.7
417.06186	35.9
418.06665	3.3
419.35660	0.6
422.02811	0.9
443.04037	7.4
497.27524	2.6
539.28711	31.7
540.29150	0.7
556.05817	0.7
557.29694	13.6
571.31042	2.6
584.06104	4.1
599.08173	48.2
600.08936	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82115	1.1
59.01364	3.9
61.98828	12.3
62.05350	1.3
64.57433	1.2
65.00316	4.3
73.02937	3.7
82.00588	4.3
83.01373	2.1
98.22649	4.0
104.03814	1.5
110.00108	19.5
111.00921	3.1
117.03482	8.6
119.05029	2.1
125.99568	1.6
135.04539	2.1
136.98795	3.7
137.02448	5.0
137.99532	1.5
139.00389	3.3
140.01141	2.7
145.02893	1.5
151.00360	3.4
155.03523	2.8
165.99086	29.7
166.99808	3.3
168.52538	1.3
171.04509	3.3
181.01433	26.7
181.02914	1.1
196.02406	1.6
196.05363	1.4
198.03346	2.2
199.03987	3.6
223.04063	1.5
224.04852	2.5
225.01920	1.4
225.05452	1.9
226.02710	2.4
227.03494	12.7
229.24048	1.2
240.04239	1.6
241.05153	1.6
251.03471	7.5
255.03056	20.1
269.04404	2.5
271.02478	3.0
279.03018	11.1
280.03705	4.2
287.05664	2.4
295.02457	4.2
296.03357	1.8
297.04068	13.8
323.01706	2.2
371.05380	1.4
416.05804	2.2
417.06180	73.0
418.06500	5.3
422.02618	3.0
443.04117	9.4
555.28058	3.1
584.06256	9.1
599.08319	100.0
600.08691	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	599.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95527	1.0
59.01378	2.4
65.00322	2.7
69.94823	1.2
69.95154	1.4
82.00587	1.0
110.00121	7.1
111.00875	2.9
117.03449	2.9
119.05012	1.3
123.00913	1.5
124.01663	1.0
135.04549	2.1
136.98817	2.9
137.02393	1.4
137.99664	1.0
139.00388	3.9
148.01727	1.5
149.02383	0.9
151.00354	2.6
161.02448	1.4
163.00334	2.2
164.98308	1.5
165.99107	8.4
166.99821	1.8
169.22701	0.8
171.04521	1.2
181.01453	2.9
182.03726	2.0
183.04616	0.8
190.99886	2.3
192.00618	3.4
198.03186	1.6
199.04066	1.6
200.01115	1.2
211.04155	0.9
213.02025	1.1
225.01865	1.1
225.05646	1.2
226.02707	3.1
227.03590	4.1
228.52078	0.8
229.01492	2.4
230.02176	3.2
238.02780	5.4
239.03357	1.1
242.02190	1.0
253.01535	1.4
254.02119	1.9
255.03004	8.7
256.03769	6.0
257.04437	1.3
267.03015	1.3
269.04572	1.2
270.01691	0.9
272.03241	1.5
279.03085	1.4
280.03766	1.4
281.00839	1.1
282.01599	2.1
285.04071	2.9
292.03583	1.1
295.02499	1.4
298.01126	1.8
323.01752	1.3
324.02817	1.8
333.04065	1.4
349.03430	1.4
350.04248	3.7
361.75610	0.9
366.03876	3.8
376.02243	1.2
377.03333	1.3
378.03497	1.0
393.02313	1.7
394.03201	3.4
403.04504	1.8
417.06207	9.0
422.02850	32.7
423.02802	1.4
437.05118	15.2
443.03860	1.7
464.04208	1.7
584.06067	6.6
599.08350	100.0
600.08630	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	599.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38529	1.7
53.12067	1.6
59.01363	3.3
65.00333	7.9
65.99871	2.0
67.01905	2.6
68.99841	1.9
69.03458	3.5
70.28570	3.7
74.99112	3.3
79.01920	2.1
79.61275	1.6
81.03452	3.6
83.01427	4.9
85.02956	4.4
93.03476	2.7
95.01407	5.7
96.99332	2.6
97.02963	5.8
109.02950	5.5
111.00902	7.4
115.05573	3.5
116.37477	1.5
117.03490	3.0
119.05035	3.5
120.46887	1.5
123.00886	24.3
123.78726	1.6
125.02459	9.4
127.05556	7.2
131.05048	6.7
136.00443	3.9
136.98882	6.8
137.02463	9.1
141.07092	2.2
143.05099	3.3
145.06599	5.1
147.04538	5.7
152.01183	1.6
153.01935	4.9
153.07118	4.2
154.99840	2.2
157.06622	1.9
159.04480	2.5
161.06123	9.5
162.02040	2.6
164.98367	10.9
165.00691	6.1
166.99817	5.4
167.08734	2.2
169.06593	5.8
171.04550	8.7
171.08180	7.8
173.06119	3.4
181.01399	3.5
181.06659	3.3
184.05292	5.5
185.06087	3.4
187.07634	4.9
192.06770	1.9
193.06322	2.2
195.08162	7.0
197.06114	10.7
197.09787	2.4
199.04076	3.1
199.07608	9.2
201.05623	7.3
211.07716	4.0
213.05556	2.6
213.09251	3.3
217.34001	1.9
223.07727	10.4
225.05576	9.8
229.05064	3.7
239.07159	4.8
241.05136	3.9
241.08745	11.9
242.08305	2.6
243.06549	3.7
257.08261	6.7
267.06644	31.9
268.06339	7.1
269.04526	21.1
269.07013	3.5
270.05164	2.9
270.07773	7.7
280.06097	3.5
283.05905	1.9
285.04941	1.8
285.07703	12.1
329.06677	100.0
330.07047	4.3
364.12045	4.7
405.10962	3.0
407.12534	80.0
408.12894	3.6
426.68399	1.8
433.10452	20.9
451.11349	2.3
581.12866	2.6
599.12976	2.9
599.16345	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	599.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
65.00333	5.1
67.01889	2.2
68.99818	2.3
69.03448	2.2
71.01387	0.8
79.01889	0.7
81.03452	1.4
83.01399	2.7
85.02932	1.1
93.03455	1.5
95.01395	2.4
96.99323	1.3
97.02953	2.2
99.00930	0.8
109.02969	2.5
111.00880	5.3
113.02464	1.0
115.05521	1.8
119.05008	1.9
120.99324	1.0
123.00884	5.4
123.34065	0.8
124.01692	1.9
125.02444	3.4
127.05542	3.8
129.07112	0.9
131.05019	3.5
135.00894	1.1
135.04524	0.9
136.98805	2.9
137.02441	3.3
139.00426	1.3
141.07066	1.0
143.04996	1.1
145.06622	1.9
147.04498	2.4
148.01718	0.8
152.01117	1.2
153.01936	2.7
153.07114	1.9
157.06570	1.4
159.04504	1.0
161.06058	3.3
163.00452	1.2
164.98315	4.6
166.99826	0.8
167.08659	1.4
169.06546	1.6
170.27121	0.7
171.04523	3.4
171.08167	2.0
173.06039	2.0
181.01306	0.8
181.06644	1.8
185.06163	1.2
187.07613	2.7
195.08170	2.8
197.06117	5.5
199.04001	1.3
199.07686	3.2
200.04854	1.3
201.05573	8.2
211.07571	1.7
213.05696	1.7
213.09212	1.4
215.07175	2.0
223.07671	3.3
225.05540	4.1
229.05089	3.3
237.01366	0.8
239.07114	2.8
241.05017	3.1
241.08675	1.8
243.06580	2.0
265.04834	0.8
267.06689	5.0
268.06259	0.8
269.04581	10.2
270.04874	1.0
285.07703	2.0
329.06677	100.0
330.07159	4.5
335.10461	0.9
357.13370	1.5
400.14203	0.9
495.06186	1.3
519.18896	2.4
527.13885	1.4
599.12848	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	599.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.2
65.00331	5.9
65.99820	1.8
67.01897	3.0
68.99829	2.5
69.03466	2.6
69.83572	4.4
79.01896	2.7
80.07635	1.2
81.03469	2.7
83.01395	4.3
85.02967	2.8
93.03466	2.0
94.02990	3.1
95.01408	6.9
96.99376	1.8
97.02953	6.1
99.00912	2.5
100.25826	1.6
104.38385	1.2
108.02222	1.7
109.02973	3.5
111.00903	5.5
111.45774	1.2
114.55611	1.3
115.05527	3.7
117.03440	1.5
119.05025	3.6
121.02956	1.9
123.00896	25.0
124.01686	2.8
124.98815	2.0
125.02477	8.4
125.99599	1.3
127.05538	6.1
130.95255	1.1
131.05019	8.9
133.06622	2.6
135.04543	1.4
136.98869	3.3
137.02458	8.2
139.00363	3.8
143.05022	2.7
145.06615	5.2
147.04565	7.0
150.03154	1.6
153.01941	5.4
153.07188	1.8
155.08598	1.6
157.06630	3.4
161.06102	9.4
163.00346	1.5
164.98332	8.8
166.99854	6.4
167.08731	1.9
169.06580	6.4
171.04523	6.9
171.08195	7.1
173.06090	4.3
176.01212	1.6
180.05751	1.4
181.01468	4.3
181.06610	3.0
184.05339	4.0
185.06073	2.8
187.07692	3.9
192.03033	4.6
193.03419	1.6
195.08148	5.6
197.06146	7.7
197.09706	3.9
198.06830	2.1
199.07689	13.0
201.05519	6.2
211.07680	4.3
213.05646	2.2
213.09206	5.3
215.07104	2.7
222.58896	1.4
223.07640	10.0
225.05562	9.6
227.13150	1.4
229.05069	3.2
239.07181	5.8
241.05066	3.0
241.08786	13.0
243.06604	5.0
257.08246	7.5
267.06653	34.3
268.06805	2.0
269.04596	18.2
270.05414	2.1
270.07904	1.6
285.07724	11.9
298.07242	4.8
299.07523	5.3
329.06693	100.0
330.06763	6.0
350.78635	1.5
407.12338	1.7
477.06833	2.9
581.12518	5.3
599.12579	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	599.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.7
58.80875	0.9
59.01386	3.8
71.01363	3.0
81.03465	2.2
83.01393	5.0
85.02943	1.3
89.02465	1.3
94.42666	0.9
96.96030	3.9
97.02939	1.3
108.02211	1.2
108.29925	1.0
109.02956	2.8
111.00889	1.2
113.02496	1.3
121.02926	1.1
123.04522	3.5
124.01660	1.4
125.02460	100.0
139.04005	3.9
149.02480	7.6
152.01154	1.6
153.01956	5.6
161.02402	0.9
165.05545	1.2
167.03526	7.3
178.02747	1.0
209.04568	1.6
241.73822	1.1
258.58121	1.2
269.06601	2.7
297.06177	1.7
311.07767	8.5
359.07474	1.4
389.08722	2.0
401.18179	1.4
437.10980	18.0
538.87494	1.0
541.69885	1.0
554.25488	1.1
599.13568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.3
61.98833	0.9
65.99891	0.6
69.43283	3.4
70.32506	0.6
70.54411	0.7
71.01392	3.4
73.02946	1.3
85.02956	1.2
88.88651	0.7
89.02462	0.7
93.03466	34.9
93.26701	0.8
94.03816	0.9
99.00884	2.1
101.02483	1.1
113.02462	2.1
118.45833	0.7
119.05019	1.1
119.25325	0.8
125.02449	0.8
131.60950	0.8
133.02937	0.8
134.03799	1.0
135.04483	1.4
137.02458	100.0
138.02827	0.8
149.02466	0.7
151.00356	1.9
193.04842	0.9
200.00934	0.9
215.03242	2.6
227.03386	0.7
286.04413	0.8
287.05640	1.7
304.11594	1.0
367.62350	0.8
417.06281	1.3
483.28519	0.8
537.73309	0.8
539.28851	1.3
555.20734	2.5
599.08472	2.9
599.31049	1.2
612.85236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.7
60.30634	3.3
65.38659	4.5
65.86876	4.4
69.75234	3.9
80.12076	3.9
85.02974	8.2
85.06609	41.0
87.04527	10.1
91.61677	4.2
113.02423	7.4
113.06104	49.3
115.04028	71.9
119.05074	4.2
134.28082	3.5
139.04030	8.5
148.79533	3.5
157.05133	5.1
175.06158	5.3
191.95848	3.5
257.75247	3.6
278.98834	3.8
299.16586	3.7
345.17023	20.1
503.22891	100.0
504.23148	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	599.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17507	1.2
54.22894	1.1
57.03446	1.7
57.14341	1.0
58.28904	1.1
59.01089	1.8
59.01386	32.3
65.00317	3.2
67.01885	2.7
69.55768	5.0
71.01379	4.1
81.03467	1.3
83.01370	2.3
85.02950	2.3
89.02456	1.8
91.01921	5.4
95.01378	4.9
96.96021	3.0
98.21790	1.1
99.00876	1.3
99.04513	4.9
101.02459	3.1
107.01400	2.8
108.02182	8.9
109.02946	4.5
110.00102	3.8
111.00866	4.8
113.02493	2.2
119.05056	16.4
122.03752	1.5
123.00896	4.5
123.04540	21.5
124.01647	2.6
125.02444	2.6
136.98817	4.1
137.02452	1.5
139.00407	12.5
141.01926	3.2
150.03189	2.9
151.00360	11.3
152.01163	13.2
153.01964	16.5
159.04498	1.1
160.01653	4.1
165.12839	2.6
165.99065	1.4
166.01431	1.7
166.02724	12.9
166.99864	15.3
167.03516	75.8
167.69597	1.1
175.04051	8.0
181.01477	8.5
181.05092	10.9
193.01488	2.1
194.02188	10.2
201.05661	1.7
207.13904	5.1
209.04573	62.2
209.11887	18.6
210.04877	1.3
211.22475	1.2
225.14964	3.1
239.05577	9.6
243.06589	1.4
251.12820	5.2
255.05009	2.9
269.06750	21.5
269.13968	100.0
270.14343	1.8
286.04834	2.4
287.05646	73.5
288.06021	2.8
290.67398	1.1
311.07916	1.9
329.08817	5.4
453.10400	3.0
555.28131	2.3
599.13916	5.7
599.23285	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	599.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	37.1
71.41738	34.0
73.34726	27.0
91.68455	30.8
93.34899	33.3
115.03986	100.0
117.05568	37.2
121.02945	94.8
122.02517	61.6
258.00522	35.4
329.19131	30.5
389.29990	29.5
446.74109	32.5
513.62939	28.9
526.54846	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08323	100.0
69.08730	23.3
98.21812	26.7
109.03516	13.6
111.92105	14.1
121.02972	23.4
122.02498	55.0
127.74178	14.5
135.25240	13.7
212.11467	14.0
228.29117	13.0
254.94937	15.3
265.14789	19.3
288.89728	12.9
369.12680	13.4
410.97110	15.6
485.46948	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	599.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78282	12.6
51.00106	13.2
53.60381	13.5
65.00324	17.2
69.08685	100.0
75.43800	13.9
91.34417	12.0
91.35006	14.0
111.65630	14.3
122.02488	21.2
142.63466	14.7
177.77272	14.6
198.13118	14.3
212.61986	14.9
269.04556	20.5
315.27737	14.8
334.94827	16.5
399.94009	16.1
417.48477	13.8
568.68414	15.6
600.14026	49.7
611.28998	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	599.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19548	10.9
64.56391	9.9
69.11140	69.0
87.66277	9.8
96.60860	10.4
96.96008	98.0
98.25753	11.3
121.02991	47.7
122.02505	53.9
130.58943	11.0
197.02917	13.0
233.85268	11.7
236.68375	11.0
265.14838	100.0
297.56680	11.8
311.16965	53.8
599.30859	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	599.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10622	50.3
62.89690	41.3
73.05130	53.4
85.46554	49.9
88.80625	42.5
95.43410	51.8
121.02996	100.0
122.02535	68.0
168.62167	53.4
213.36453	51.9
215.20279	50.5
229.35098	64.4
260.32092	49.2
260.87589	44.9
452.96674	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
57.65431	0.9
59.01385	100.0
60.21674	1.0
60.40216	1.0
61.98808	1.5
71.01389	8.3
73.02957	8.3
77.45158	1.0
80.29887	0.9
83.01382	1.9
85.02962	1.9
89.02445	3.5
89.97389	1.0
96.96013	3.0
99.00890	1.3
101.02459	6.7
113.02454	3.4
117.66956	1.1
119.03562	1.6
119.05038	3.0
123.04513	1.0
131.03583	1.2
135.04524	2.0
137.02475	1.3
161.02504	1.4
161.04507	2.3
167.03409	1.3
175.03896	1.8
193.18260	1.0
196.02573	1.2
197.04645	1.3
209.04466	1.5
287.05627	1.7
296.55673	1.2
307.22861	2.0
351.21942	1.1
361.85934	1.2
390.59183	1.2
403.13898	2.3
451.27359	1.2
453.10492	1.4
539.29028	1.9
555.28314	8.1
599.07977	1.3
600.11481	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	599.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48469	1.3
55.01897	1.4
57.03446	2.5
59.01388	72.6
68.72762	1.1
69.13574	5.0
69.13980	2.4
71.01398	17.4
73.02962	10.4
83.01404	4.1
85.02962	8.0
89.02470	2.8
96.96023	18.8
98.21910	3.2
99.00896	3.8
101.02438	13.8
109.83308	1.2
113.02467	6.4
116.82975	1.1
120.58327	1.1
129.42561	1.0
130.83047	1.1
159.03064	1.3
161.04547	2.7
210.14873	1.4
469.27948	4.9
513.27228	2.7
555.28149	100.0
556.28204	6.5
607.41479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.59002	9.8
71.01398	18.9
73.02960	6.9
85.02966	8.8
86.80128	2.4
88.98895	2.6
89.02447	3.7
99.00904	2.3
101.02448	10.9
105.57001	2.1
113.02486	12.3
161.04544	5.8
217.16010	2.5
273.18756	4.5
307.22754	8.6
337.33105	2.3
351.21909	15.1
404.17233	2.4
451.27136	6.7
469.28152	6.4
555.28241	21.6
556.28046	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	599.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03461	1.2
59.01385	100.0
60.01716	0.5
63.11597	0.4
69.03468	1.5
71.01389	21.9
71.43882	0.3
72.99310	0.4
73.02954	6.4
75.00883	0.5
81.03503	0.8
83.01392	2.4
85.02960	8.9
87.00907	1.5
89.02464	3.0
92.53685	0.4
93.03459	2.2
95.01418	1.9
96.96042	0.7
97.03005	2.1
99.00885	3.0
101.02456	12.4
107.01415	0.4
109.03008	0.6
111.00904	0.9
112.01667	0.4
113.02463	9.6
115.04032	1.2
116.92898	0.4
117.03494	1.3
119.03533	0.9
119.05048	0.7
119.59261	0.4
121.06631	0.7
125.02471	3.0
133.02977	0.6
135.04510	2.6
137.02484	5.9
141.02016	0.5
143.03520	6.7
147.08229	0.8
151.00414	2.4
155.87085	0.4
159.03047	1.7
161.02533	0.6
161.04582	14.0
165.99062	0.6
171.10274	0.5
175.04163	0.5
193.05078	0.6
209.11893	0.9
227.03667	0.5
255.03094	0.5
259.20523	0.4
284.03439	0.6
285.04175	1.7
286.04581	1.2
287.05365	1.9
317.21317	0.6
326.00909	0.4
335.22406	1.6
353.23312	4.0
391.05127	0.6
394.78223	0.5
395.24545	2.6
417.06152	4.2
443.04221	1.2
497.27814	2.2
509.28247	0.5
539.28644	28.0
540.29498	1.2
557.29681	12.8
557.38019	0.7
558.30457	0.5
571.31567	2.5
599.08087	6.9
600.08289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49868	2.7
55.99196	2.6
59.20432	2.8
64.01915	6.2
65.00340	7.7
65.99854	59.2
68.24110	3.0
69.22590	17.3
74.65909	2.6
82.06043	2.9
88.01940	3.9
101.36919	3.3
105.02168	3.7
108.00917	7.6
108.09638	2.8
109.02936	3.6
117.03463	6.9
119.00165	7.5
120.99303	4.7
132.00952	4.0
133.01711	6.1
133.02950	5.1
134.02452	3.7
136.00409	4.2
145.03026	4.1
147.04543	8.6
148.00479	7.1
149.01138	5.8
161.02426	25.3
162.01932	4.7
163.04010	5.1
163.99913	5.6
171.04514	11.7
172.00383	3.8
173.01170	6.0
174.99130	6.3
175.99895	50.7
178.01505	6.4
187.99796	3.1
189.00676	7.0
189.05687	4.1
190.01399	9.0
190.02896	5.2
191.03542	7.1
202.01497	4.9
203.99380	12.4
217.00122	9.4
218.00941	6.0
233.04582	4.7
234.00415	16.6
236.07193	6.3
238.05032	6.2
242.08159	3.2
243.98668	4.2
250.05055	5.5
252.06583	4.5
258.00436	4.6
259.02658	4.5
261.99966	36.1
268.06091	8.4
270.07718	7.9
271.06113	3.5
275.57455	3.5
278.08295	5.5
280.06183	82.3
306.07660	7.5
308.05652	100.0
309.05780	3.5
318.07770	4.4
320.05844	3.6
333.06525	3.0
334.03485	6.7
334.07233	5.9
338.06781	5.3
340.08243	9.3
344.05444	4.0
348.05118	13.4
350.06555	6.4
362.06702	27.2
366.02051	5.4
366.06186	63.0
376.04150	7.8
377.05203	19.4
378.06216	19.7
388.04678	5.3
405.04626	5.5
406.05737	85.0
407.05740	4.5
524.09900	10.5
550.07965	3.6
553.90356	4.3
568.08832	61.5
586.09607	6.7
600.15955	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	600.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
59.20078	1.2
65.00333	2.3
65.99843	4.0
67.01912	2.4
68.99822	4.1
69.52543	5.4
73.02950	2.5
83.01387	6.2
95.01399	1.6
96.99339	2.2
99.00883	10.7
106.02998	2.0
111.00887	44.7
115.04028	3.5
115.05549	2.3
118.03018	2.3
120.00906	2.2
120.04585	1.8
124.04090	2.6
129.02003	1.9
130.02989	1.7
131.05045	5.6
132.04605	1.6
133.01678	1.5
134.02463	1.9
136.00394	1.6
139.00388	34.0
143.03520	2.1
145.01689	1.6
145.06602	3.5
146.02467	8.2
148.04088	2.7
150.01927	3.1
161.01195	2.4
162.01979	2.9
163.99915	1.7
164.03571	6.7
171.03018	66.3
171.04437	4.5
173.01141	2.0
174.01981	7.3
175.99913	3.3
176.03436	1.6
187.02754	1.8
188.03635	1.8
189.00710	6.9
190.01479	8.2
192.03006	3.1
200.03476	3.0
201.05650	3.3
203.02240	2.9
216.03000	2.3
218.04581	3.2
225.05753	2.4
226.08890	2.7
236.07213	2.7
242.08237	4.1
244.02620	1.6
245.04613	11.1
250.08722	2.6
252.06659	6.7
254.05904	2.5
259.06100	7.8
264.06894	2.1
266.08154	2.6
267.06735	2.6
268.06284	3.7
268.09808	7.6
270.07742	10.7
271.08075	3.7
277.07190	100.0
278.08191	15.8
279.75806	1.6
280.06195	8.0
288.01535	2.2
292.06448	2.1
292.09811	2.4
293.06955	3.3
294.07767	27.6
296.06055	1.6
296.09290	45.7
297.09555	2.1
306.07715	1.6
308.09277	1.6
310.10855	1.9
320.05621	13.5
320.09265	11.8
321.06497	1.9
322.07254	9.9
332.05576	1.7
336.08688	4.5
346.07324	2.6
348.08655	5.0
364.08243	16.2
392.07803	41.1
393.08029	1.6
418.09274	3.5
424.11209	2.7
450.12021	10.3
452.11777	2.4
454.13168	3.6
480.10916	27.6
481.11420	1.7
494.10895	3.6
497.06146	1.5
498.12033	37.9
513.45282	1.5
524.13110	2.0
530.14355	3.1
538.15863	3.8
550.11804	1.6
556.16382	11.7
568.12714	2.6
600.15216	18.9
601.16376	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	600.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	7.4
65.99860	15.8
68.99805	3.3
69.54755	13.3
81.59615	2.8
105.13507	2.9
110.08129	2.7
114.50486	3.2
116.71483	2.6
132.04578	6.2
134.06146	11.5
136.98853	3.4
144.04630	3.2
156.04564	7.6
160.04068	5.7
161.02467	6.2
162.02007	4.0
162.44043	2.8
171.04509	10.4
172.04008	7.0
175.99956	14.9
178.01637	3.2
178.04999	6.9
184.04041	8.4
198.41887	3.0
200.03600	13.8
202.05037	9.8
203.99380	2.9
204.03078	5.1
228.03027	22.3
234.00481	3.9
242.08284	12.0
244.02414	4.9
246.03967	5.4
262.00018	6.9
262.08856	4.0
268.06204	7.7
270.07657	24.3
280.06189	33.4
286.08530	3.2
290.08224	10.5
294.07767	3.4
296.05557	5.4
296.09064	3.4
304.09760	16.2
306.07568	4.4
306.56320	3.2
308.05707	21.1
308.09042	5.9
314.08020	4.1
332.09286	74.5
334.03290	3.7
334.07083	3.6
348.08823	14.0
350.10434	45.6
366.06277	13.5
376.08252	58.1
377.05396	5.6
378.06287	4.5
394.09363	38.8
406.05750	17.8
420.07266	100.0
421.07663	3.6
456.06314	3.6
548.64264	3.8
556.16028	30.8
557.15875	3.6
568.08936	8.9
600.14819	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	600.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
65.00315	3.7
65.12406	1.4
65.99851	5.8
68.12592	1.4
68.99814	5.4
69.10217	3.8
69.10624	7.2
77.92669	1.7
82.02969	2.6
83.01376	6.8
99.00871	13.5
104.06596	1.5
106.02984	2.8
111.00889	57.0
115.04000	3.7
118.02967	1.8
119.01401	1.9
120.00919	2.2
124.04051	4.9
130.03004	3.4
131.05075	7.7
134.02516	2.0
136.03984	1.6
139.00389	36.5
143.03473	1.7
145.06587	3.3
146.02423	8.0
147.04469	2.2
148.04097	2.6
150.01939	5.8
159.04570	2.6
161.01236	2.0
162.01955	3.4
164.03537	5.6
165.00674	1.7
171.03033	61.8
171.04507	7.7
173.06145	2.4
174.01961	5.9
175.99846	4.4
187.02754	1.9
187.99812	1.5
189.00690	7.8
190.01477	10.4
192.03035	4.2
201.05617	3.7
203.02309	1.5
208.07669	1.8
215.99411	3.4
216.03027	2.8
218.04530	3.5
222.05510	1.8
222.58856	1.6
226.08704	2.7
232.07671	2.2
236.07201	3.8
240.06619	3.1
242.08098	2.6
244.02502	2.5
245.04590	10.8
248.07062	2.1
250.08687	2.3
252.06662	9.4
254.05888	2.6
254.08221	2.1
259.06104	6.8
267.06607	1.6
268.06442	3.0
268.09763	7.2
270.07632	9.3
276.06305	2.0
277.07193	100.0
278.08185	20.6
280.06079	9.8
288.01501	2.5
292.06473	2.4
292.09866	4.6
293.06839	5.7
294.07706	33.1
296.05972	3.1
296.09265	43.2
297.09689	2.3
304.06210	2.1
306.07513	1.8
320.05646	15.3
320.09348	10.1
321.06296	2.9
322.03619	4.3
322.07199	8.5
336.08807	4.5
348.08618	4.9
364.08167	21.3
392.07782	41.4
418.09482	2.9
424.11789	3.8
450.11880	8.8
454.12946	4.3
468.10675	2.3
470.17697	2.0
480.10934	27.4
486.12112	1.8
494.10785	4.2
498.11938	32.9
524.13599	3.7
550.11603	2.7
556.16302	12.3
568.12701	3.1
582.13257	2.7
600.15027	23.3
617.01019	1.8
629.24841	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	600.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29035	3.4
61.05759	3.3
65.00335	4.0
65.99838	8.7
68.99814	3.1
69.69034	2.7
73.02989	2.8
77.60989	3.0
82.02992	6.1
83.01405	4.5
96.04568	2.9
99.00883	6.9
106.03013	10.3
110.24580	2.7
110.73903	2.8
111.00903	35.5
115.05595	4.6
117.07242	3.0
118.03043	3.9
122.02506	38.6
130.03009	14.4
130.04152	2.6
131.05031	7.7
135.04663	3.3
136.04143	3.2
139.00398	18.3
145.06604	28.2
146.02521	13.2
150.02029	16.0
153.77185	2.9
157.06598	2.9
164.03635	5.3
171.03015	28.7
171.04523	11.1
173.06119	7.8
174.01965	32.8
175.99866	5.5
187.02762	4.6
189.00731	6.0
190.01476	8.5
192.03035	8.3
200.03557	9.0
201.05603	16.1
202.01402	3.7
216.03236	3.7
234.09178	3.6
236.07121	17.4
242.08281	6.8
245.04570	35.5
250.08618	4.7
252.06699	9.6
268.06253	5.3
268.09879	6.0
269.04501	3.8
270.07767	12.9
277.07169	59.1
278.05185	3.3
278.08234	100.0
279.08774	3.3
280.06091	13.2
292.39911	3.4
293.07077	4.3
294.07770	37.4
296.05945	6.6
296.09256	60.1
308.05508	6.1
320.05594	9.5
320.09268	16.0
322.07205	43.7
330.07721	2.9
336.08643	5.2
348.08820	4.8
364.08289	68.9
365.08322	3.7
392.07886	24.6
406.06189	3.4
434.08810	6.9
450.11621	4.9
452.11188	3.7
480.10776	20.4
498.12067	25.0
524.13831	4.5
550.11511	6.4
556.16577	6.6
568.12408	11.6
582.13959	3.6
600.14825	41.8
601.14691	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	600.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49475	0.9
60.24576	0.7
65.99858	4.5
66.28342	0.9
74.36337	0.6
79.96383	0.7
89.00327	1.3
91.38721	0.7
114.03534	1.2
125.59886	0.7
134.02441	0.8
142.02977	4.3
158.02440	1.6
158.46838	0.7
162.02023	1.4
170.02466	0.9
171.04523	0.9
172.00455	1.0
175.99899	2.5
186.01933	3.5
190.01445	0.8
199.99905	8.4
202.01486	1.3
203.99432	1.1
211.99933	1.8
214.01454	8.7
227.99359	3.7
230.00937	4.6
231.01733	1.0
232.02608	0.9
252.06635	2.0
255.98891	7.3
258.00449	31.6
260.07199	1.5
261.99854	1.0
262.04840	0.9
268.06091	0.9
276.06741	1.3
280.06161	4.1
283.98401	11.2
288.06738	1.7
292.06192	1.1
292.23691	0.8
304.06232	1.3
308.05774	4.6
308.08749	0.9
316.06097	1.6
320.05698	8.9
332.06100	1.0
334.07257	6.3
343.05295	0.9
344.05734	1.2
360.05173	13.1
362.06708	100.0
363.06891	3.3
366.06033	1.7
378.06064	1.1
386.06476	0.9
388.04648	64.9
389.05014	3.2
394.09396	2.5
406.05618	5.9
438.08237	4.3
568.12299	2.8
600.15070	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	600.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16290	6.4
61.98827	6.8
65.06155	7.8
65.99847	14.5
69.14570	41.3
98.21892	18.1
106.03024	8.1
106.27526	8.0
111.00906	23.8
122.02496	100.0
130.03006	15.3
130.93826	7.5
139.00433	22.3
145.06615	23.1
146.02466	15.1
150.02007	16.4
163.99879	8.2
171.03009	25.3
171.04434	15.1
173.06097	8.4
174.02043	34.7
175.99878	12.2
201.05560	21.4
236.07231	14.7
241.99232	9.2
242.08289	11.8
245.04674	47.7
250.08804	12.5
252.06860	11.3
255.06487	11.7
268.06100	16.9
270.07776	22.8
277.07281	49.1
278.08221	96.7
280.06168	21.4
294.07779	17.7
296.09348	53.6
308.05716	11.2
320.05823	13.7
320.09323	14.6
322.07278	40.0
336.08899	10.8
364.08475	55.7
382.71246	8.9
392.07684	26.4
434.08856	12.3
480.10910	15.7
498.11938	22.6
524.13281	11.1
556.16028	8.6
568.12866	15.2
600.14923	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68080	20.7
69.68465	18.2
88.74725	10.2
112.06508	8.4
122.02483	100.0
123.05247	10.6
175.21329	8.6
275.20212	9.6
310.02179	8.6
317.12979	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	600.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74575	4.2
59.01370	3.7
65.00343	4.4
69.98891	12.1
77.36011	3.7
85.02966	5.8
86.35336	4.1
87.00895	14.7
89.21959	3.6
93.03517	6.2
94.15917	3.7
98.21947	4.8
114.77693	4.0
117.03452	8.8
119.05050	17.5
122.02493	100.0
133.02986	7.2
135.04524	29.0
284.03159	20.3
285.03732	5.5
374.06152	5.0
443.59546	4.1
494.72693	4.5
597.69379	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	600.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.04071	2.7
69.18417	12.1
82.66396	2.0
87.11563	2.2
112.74637	1.8
122.02499	34.0
127.66898	1.9
141.65326	1.9
160.14023	2.0
459.14160	2.2
545.89380	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	601.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.45591	2.8
79.38094	0.8
85.51092	0.8
97.85160	0.9
99.08213	0.7
102.34966	0.8
115.02530	7.7
117.00458	6.4
132.98250	1.4
150.68021	0.8
156.99963	1.0
157.03595	2.8
159.01509	71.8
160.01622	1.8
160.62416	0.8
174.99248	18.1
176.98140	8.9
201.02560	25.8
201.39566	0.8
202.02780	1.3
211.87509	0.9
217.00311	46.2
218.00687	1.1
232.98329	0.9
259.01590	2.9
274.82498	0.8
274.99478	3.7
283.01813	1.4
297.08646	0.8
301.02670	51.0
302.02826	2.8
317.00427	38.1
318.00595	1.5
332.98401	2.4
359.01483	15.7
374.99402	2.4
459.01596	12.3
460.01193	0.9
498.99683	1.4
541.00708	32.1
542.00714	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	601.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	19.4
60.01731	1.6
60.99316	8.6
61.98842	2.5
65.00343	3.2
69.58833	1.8
69.59250	3.1
71.01382	6.3
73.02953	1.4
80.43911	0.8
81.03461	1.6
83.01395	8.1
83.01798	1.1
83.05018	1.0
85.02978	2.1
87.00883	0.9
87.04530	12.7
88.98817	51.1
89.02454	2.0
90.69287	1.0
91.91216	0.8
93.03452	5.6
95.01402	1.1
96.96026	3.8
98.22715	0.9
101.02459	3.9
109.02981	1.3
110.00146	1.8
111.00897	2.1
113.02475	3.0
116.92873	3.7
117.03468	16.6
119.03548	1.0
119.05035	14.6
120.05363	1.0
122.02476	1.0
123.04533	1.0
125.02426	2.4
129.51628	1.0
133.02995	1.9
134.03758	1.3
135.04526	7.1
136.04936	1.6
136.98825	2.1
137.02473	7.4
139.00391	1.7
140.01129	4.6
143.03549	1.1
143.05061	1.6
145.03036	2.3
153.01961	15.9
153.05576	5.7
154.02759	1.6
155.03535	22.9
161.02499	2.2
161.04553	2.0
165.99106	4.3
173.06125	1.6
181.01472	14.4
182.02229	34.5
183.04529	1.0
185.02455	1.6
185.06223	1.3
186.01715	1.0
187.03946	2.0
192.00635	3.0
197.04567	66.8
198.04956	1.3
199.04071	2.7
201.05525	1.8
207.02963	5.8
211.04115	1.7
212.04839	1.1
213.01949	2.2
213.05688	2.3
214.02718	3.8
227.03473	5.4
229.05150	2.8
239.03503	1.1
242.02229	4.5
243.03004	5.4
250.53281	1.3
251.03412	1.6
253.01419	2.5
253.04996	2.6
255.03030	6.7
257.04581	25.6
281.04477	1.5
283.02557	4.2
285.03952	3.0
299.06192	1.1
300.02512	1.3
301.08557	1.3
327.06525	1.1
331.06076	1.4
345.07596	1.8
355.05948	1.5
356.06808	1.2
357.07629	1.2
373.07269	2.1
375.04825	1.1
383.05719	1.2
393.06177	16.4
393.10855	1.8
401.06693	100.0
402.06937	5.8
403.04636	46.1
403.10086	1.4
404.04938	2.0
405.06174	9.7
405.82840	1.1
419.07715	16.7
445.05640	11.8
519.20715	2.5
519.70819	2.0
540.29065	2.5
540.82721	1.1
541.29498	1.3
558.30475	1.1
590.56494	1.0
601.09467	10.6
601.18481	1.5
601.22589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99309	1.7
54.31990	1.8
59.01368	5.9
59.22538	1.7
60.65960	2.1
63.90095	2.4
65.00330	2.9
66.34039	1.7
69.27748	5.6
69.28162	7.6
83.01399	9.6
87.04520	11.2
93.03456	2.7
95.12601	2.2
99.63801	1.9
109.02943	2.9
110.00127	1.9
115.29772	2.3
117.03455	13.9
119.05014	6.3
129.23340	2.0
133.02948	3.2
137.02429	2.8
140.01230	5.5
153.01959	16.2
153.05580	6.5
155.03511	29.4
165.99075	5.6
181.01421	13.2
182.02220	40.5
187.04037	2.6
192.00731	2.4
197.04562	68.4
207.02925	8.3
213.01810	4.3
213.05403	2.9
227.03609	4.9
229.04874	3.1
239.03513	2.3
242.02248	4.4
243.02945	9.9
245.04500	2.4
253.01331	3.4
255.02933	4.5
257.04520	31.5
281.04532	3.2
283.02423	4.1
285.04047	15.0
300.02710	8.2
315.04984	8.6
317.67215	2.4
329.08270	2.7
331.06049	3.3
359.05527	2.3
373.07129	2.3
393.06186	19.6
401.06680	100.0
402.07123	6.0
403.04529	50.0
404.04858	3.5
405.06116	7.8
419.07922	13.8
445.05853	10.7
601.09790	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	601.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01383	3.4
65.00333	2.1
72.02151	1.1
74.27579	0.8
81.03485	1.4
82.00620	1.3
83.01392	6.3
87.04520	11.3
93.03484	1.7
99.59271	0.8
110.00095	2.0
111.00896	2.3
113.02480	1.5
117.03461	12.3
119.05037	3.5
119.13004	1.1
125.02447	1.1
137.02478	3.4
140.01176	5.6
153.01947	13.1
153.05573	5.4
154.02747	2.1
155.03528	23.1
165.99103	3.6
168.09509	1.0
173.06068	1.7
180.00677	1.2
181.01442	12.0
182.02231	29.1
183.04550	1.8
185.02484	2.2
185.06110	1.1
187.04062	1.6
192.00674	3.1
195.62709	0.9
197.04568	66.3
198.04892	1.5
199.04211	1.6
201.05583	1.9
207.02948	7.0
211.04092	2.2
212.04834	1.2
213.01994	1.3
213.05527	1.2
214.02736	4.0
227.03555	4.1
229.05070	2.0
239.03664	1.4
241.01492	1.3
242.02213	4.7
243.02939	5.8
247.93288	0.9
253.01430	3.3
253.05093	1.1
255.02992	6.4
257.00735	0.9
257.04565	23.2
264.04477	1.0
281.00549	1.0
281.04416	2.0
283.02466	4.8
303.06570	1.7
325.03323	1.1
329.08386	1.3
345.07733	1.5
359.05084	1.5
373.07095	2.4
375.05328	1.3
393.06241	17.5
394.06223	1.3
401.06680	100.0
402.06973	6.9
403.04611	43.5
404.04990	1.7
405.06238	6.8
417.06876	1.1
419.07715	15.3
420.08203	1.8
445.05652	12.8
601.09509	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	601.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
65.00329	4.0
67.01882	0.9
68.99814	2.3
69.85783	1.5
69.86130	1.3
83.01373	4.0
85.13857	0.7
87.00861	1.4
87.51933	0.8
95.01411	2.1
96.96022	1.5
97.02956	0.7
99.00883	3.6
107.01364	0.8
108.02214	0.7
109.02971	0.7
110.00054	0.9
111.00894	4.3
115.05551	0.9
123.00883	1.6
124.01658	8.2
124.98808	1.4
125.02457	2.0
127.00372	1.6
127.05479	0.7
131.05034	1.5
136.01660	1.2
136.98825	4.3
137.02493	0.8
139.00383	5.0
141.01939	1.8
141.07059	0.9
143.05054	2.0
145.06602	0.9
147.04527	2.2
152.01183	6.3
157.01440	2.0
157.06570	1.1
161.06081	1.4
164.98315	1.1
166.99861	4.3
167.03491	1.6
169.01407	3.2
169.06598	2.6
171.04486	4.3
173.06055	2.2
181.01482	1.7
185.06090	2.3
197.06097	1.9
199.04005	3.2
199.07617	1.2
201.05576	2.0
209.06035	1.2
213.05591	7.4
225.05499	4.5
227.07117	2.0
229.05122	1.9
231.06660	4.9
241.05077	3.2
243.06609	27.6
244.06914	1.2
253.05095	7.7
258.97281	0.7
267.65271	0.8
269.04559	1.9
270.07669	1.5
271.06128	100.0
272.06491	3.5
273.07724	5.4
281.08139	0.7
303.05313	1.0
317.06711	7.5
325.07205	1.6
329.06619	2.1
330.06958	1.6
331.07211	1.6
403.04602	1.0
463.11887	1.2
504.06491	0.9
507.11240	1.2
601.13611	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	601.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47240	1.5
59.01373	5.2
69.38402	1.3
69.92480	1.3
70.70306	2.0
71.01375	4.4
74.12797	1.3
78.95914	55.2
79.95741	3.3
85.02982	1.8
89.02438	3.0
91.79625	1.5
96.96012	100.0
96.96968	92.5
96.97888	1.9
111.02010	2.9
122.02532	2.3
165.35139	1.4
179.05675	2.7
217.11919	3.2
221.06714	2.1
231.41006	1.5
280.27975	1.3
319.03641	1.8
400.08066	1.5
503.16461	6.4
601.13818	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11877	0.9
64.69212	1.1
69.53467	1.6
69.53815	4.4
78.95929	1.6
91.96067	0.9
96.96953	1.5
98.50917	0.9
107.03645	2.1
108.02065	2.4
126.03098	1.2
126.98875	0.9
133.01572	17.6
139.98183	0.9
150.04228	96.3
152.49773	1.0
263.34531	1.1
282.08459	100.0
283.08957	1.3
309.40604	0.9
318.06113	14.7
625.63000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59127	8.0
54.48885	8.6
59.01394	49.4
78.91898	36.4
85.02982	10.9
96.96032	18.6
116.92858	52.4
133.02945	15.3
143.03488	9.9
150.03252	15.3
161.02454	44.1
165.05594	19.8
175.79117	10.5
176.13423	8.7
177.01982	33.3
178.02689	43.4
190.99925	10.0
192.04279	33.7
193.05046	67.1
195.06612	21.0
207.06592	100.0
277.72180	9.0
401.06656	13.6
439.04196	23.5
529.31171	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	601.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59227	1.4
52.27081	1.2
53.74889	1.3
54.59253	1.6
57.66381	1.3
58.02998	2.9
59.01385	19.8
60.17192	1.4
61.98833	3.6
69.61012	5.1
78.03500	2.5
82.67264	1.4
85.02982	1.9
88.90758	1.8
99.03283	2.1
113.02452	5.8
119.05039	5.1
122.02494	100.0
135.04497	1.7
136.04071	22.4
138.09291	1.4
150.05624	9.2
171.32932	1.4
178.05077	2.4
180.10303	1.8
230.15491	3.0
272.16544	4.5
287.12701	1.5
289.14520	12.7
290.17709	4.1
345.17044	2.7
411.07269	1.6
411.83279	1.7
468.20340	44.9
486.21335	15.9
538.99432	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	601.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49432	9.6
57.59256	11.5
58.19128	11.8
59.01378	31.3
61.98813	14.3
69.50012	50.6
78.91907	22.0
115.04024	100.0
115.43833	15.2
180.97740	11.8
195.06671	15.5
258.37003	11.7
328.94989	13.9
473.61844	14.9
487.23480	20.5
601.24799	40.2
602.23914	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	601.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28742	38.7
59.01381	88.0
61.98827	100.0
67.14800	46.7
70.48048	77.0
88.90885	38.6
109.02996	52.4
116.53260	40.7
119.05019	48.9
120.54456	40.0
135.04494	91.6
171.10248	43.7
211.13335	41.6
283.55652	65.2
297.37198	44.2
320.23108	44.3
346.77322	41.8
364.61719	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.6
57.03440	0.9
57.32325	0.6
57.99296	0.6
59.01383	7.3
60.86259	0.7
65.00323	2.5
67.01909	0.9
68.99797	1.1
69.20261	3.8
71.01379	7.9
73.02961	2.3
76.40771	0.6
81.03460	4.9
83.01398	2.8
85.02966	5.0
87.00882	0.8
89.02461	1.1
91.01900	10.9
95.01413	1.6
96.96029	4.4
97.02968	1.2
98.21944	1.5
99.00900	2.0
101.02463	4.7
107.01399	1.3
108.02190	9.3
109.02954	0.8
111.00896	2.2
113.02463	5.0
121.02965	0.8
123.04536	36.4
124.01733	0.8
125.02473	1.7
135.57603	0.7
136.98888	0.8
143.03490	0.7
145.06592	1.2
151.00398	2.0
152.01176	8.3
153.01933	2.0
161.02434	0.9
161.04672	0.8
166.02660	1.7
167.03511	100.0
168.03865	2.4
173.06058	0.9
181.05026	1.2
187.07649	1.2
197.04448	1.0
209.04579	6.0
231.06674	1.6
245.08261	1.6
246.08591	1.0
251.05655	2.3
269.04520	2.2
273.07816	1.2
296.05334	1.1
311.07782	8.5
317.06503	0.8
318.07602	0.7
392.85461	0.8
401.06702	1.2
410.90576	0.7
563.25842	0.8
601.25061	50.1
602.25446	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	601.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75477	23.9
59.01372	81.9
59.48516	20.0
60.87372	24.8
71.01382	47.4
78.95893	35.1
83.09235	22.5
89.02453	54.8
93.03423	47.4
98.11689	26.4
112.49707	24.7
113.02425	42.7
121.02913	27.2
122.02454	39.8
137.02435	59.0
179.05618	32.0
277.21707	100.0
297.64047	23.5
315.55426	23.9
341.10901	34.6
439.03458	25.2
457.89008	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2694
Annotation	Oxidized dinoflagellate luciferin
Peak:m/z	Relative Intensity
52.58973	1.1
54.85183	1.1
55.01867	1.3
58.04492	1.2
58.99605	6.3
59.01386	7.6
61.98827	1.7
67.26501	1.2
69.61156	1.5
69.61485	5.1
71.01388	6.1
73.02953	2.8
79.53811	1.1
83.01402	1.8
85.02944	4.5
87.00882	55.5
93.03448	1.2
101.02452	3.1
102.98613	17.3
113.02442	3.7
114.69280	1.1
117.03448	2.7
119.05035	10.7
133.08275	1.3
135.04530	3.0
145.02919	2.0
161.04591	1.3
163.00404	2.0
211.13422	1.6
222.81592	1.2
249.06175	75.5
255.03044	2.2
283.02457	6.8
283.05170	1.7
284.03149	8.6
285.03986	1.8
351.20020	50.1
352.20325	1.6
402.65958	1.3
504.30978	1.6
569.20105	3.3
601.26965	100.0
602.27283	5.5
623.67474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01825	2.0
58.93113	1.8
59.01382	67.4
69.35625	9.3
70.24958	2.1
71.01392	17.8
73.02942	8.7
83.01378	2.0
85.02955	7.2
87.00876	3.7
89.02450	4.4
96.96014	15.1
97.22232	1.6
98.21851	3.6
98.95592	14.0
98.96204	2.3
99.00892	2.4
99.92600	3.7
100.93375	4.1
101.02456	13.0
113.02449	7.2
115.92059	4.1
116.92871	27.5
119.03532	2.3
132.39259	1.7
143.03496	3.7
145.02191	1.6
161.04532	7.0
171.26265	1.9
181.58945	1.9
194.47667	2.0
204.32913	1.6
214.96484	2.2
353.23395	3.3
371.94382	2.0
394.29529	1.8
479.06473	3.3
497.27582	28.2
498.27695	2.3
515.28656	24.5
529.09772	1.9
529.30078	2.4
557.29700	100.0
558.30084	6.2
601.08667	5.2
609.07428	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	601.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43096	1.7
59.01385	100.0
65.37602	1.9
69.27819	11.2
71.01388	15.3
73.02981	2.6
75.00861	2.2
83.01392	2.3
85.02956	7.6
87.00913	2.1
89.02424	3.1
101.02448	7.5
113.02457	7.3
121.06610	21.5
131.29416	2.2
137.02478	2.7
143.03540	2.6
147.08176	14.2
161.04607	15.3
257.04675	5.2
269.19238	2.5
274.92044	2.0
287.20319	3.7
297.55280	2.1
299.20184	10.1
303.19470	2.2
305.21332	2.3
309.42682	2.3
317.21262	14.2
335.22336	16.5
373.83328	2.0
397.08032	2.7
419.07727	3.8
433.05679	7.3
497.27606	35.9
515.28760	15.1
557.29559	3.2
601.06989	3.2
601.23932	2.8
602.24622	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	602.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00344	3.6
65.99843	6.7
68.99832	2.8
69.52565	6.1
73.02934	2.2
81.03474	1.6
87.00890	1.9
97.02950	2.1
98.22604	2.4
101.02467	2.4
104.88457	1.7
108.00939	3.0
109.02953	3.0
110.02470	2.9
112.98873	2.3
119.95642	1.6
120.00909	3.4
122.02479	2.9
123.00864	2.0
123.03262	3.5
129.01979	2.0
134.02423	3.7
135.03271	4.4
135.04320	1.4
136.00409	5.0
136.98761	2.0
138.01988	3.0
145.06598	2.1
147.16205	1.7
150.01991	1.7
151.00330	1.9
151.02754	5.5
157.01442	2.8
163.99879	5.4
165.00603	2.2
171.04509	3.4
173.06097	1.7
175.99965	4.0
191.99385	3.4
192.03015	4.2
199.01550	4.0
218.00943	4.4
224.07181	2.6
225.05612	1.6
226.08675	1.8
227.01056	8.2
228.06653	1.7
232.02449	1.7
240.06744	3.2
242.08266	42.6
243.06407	2.1
245.08130	2.1
252.06779	3.0
268.06152	13.1
270.07727	100.0
280.06161	10.9
294.07809	4.6
296.05698	83.3
296.09122	7.6
297.06161	2.7
304.06192	3.4
321.08768	2.9
322.07220	7.1
324.05203	30.8
331.07300	23.3
336.08743	4.2
350.06699	2.2
356.07718	8.5
364.08228	7.3
366.06113	7.6
370.09406	2.6
378.06094	3.8
390.06189	4.5
394.05634	6.2
408.07358	5.1
421.08209	2.4
432.07111	8.3
436.06845	10.3
454.07736	17.0
584.14783	3.6
602.15747	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	602.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39972	0.3
64.01937	1.8
65.00313	0.9
65.99852	13.7
67.03036	0.4
68.99821	1.1
69.34372	1.4
70.89018	0.2
81.02226	0.3
83.01381	0.5
85.53922	0.3
88.01929	0.8
89.99883	0.4
91.03011	0.5
95.01391	0.5
96.00935	1.4
98.02465	0.5
99.86672	0.3
103.03062	0.8
105.02203	0.4
108.00957	1.3
109.01698	1.0
110.00107	0.3
110.02499	3.3
115.03052	0.3
117.04591	1.5
120.00912	0.8
121.01721	0.5
121.04099	0.3
122.02460	1.5
123.03291	5.9
124.00410	0.4
127.03033	0.6
131.02519	3.8
132.00897	0.7
133.01709	1.0
133.04123	0.5
134.02492	5.0
135.03279	6.5
136.00412	3.9
138.01978	2.3
143.02505	0.9
143.05075	0.4
145.04114	0.8
151.02766	6.0
152.03523	0.3
155.02316	1.5
156.67760	0.3
157.06560	0.3
159.02077	0.5
161.03590	2.7
163.05283	0.3
163.99911	1.5
165.00696	2.4
166.01466	1.8
171.02081	2.5
171.04515	4.1
172.02762	0.5
173.03535	0.7
173.06052	0.7
174.04265	0.7
175.99898	6.4
176.01399	0.3
189.00691	0.6
189.03133	1.4
192.03023	4.3
192.08218	0.3
194.06137	0.4
197.06090	0.7
198.05522	0.3
199.01492	12.9
199.07707	0.7
200.02208	0.3
200.07153	1.4
201.03146	0.7
202.03824	0.6
208.07645	0.5
210.05609	0.3
212.07219	0.4
213.05629	0.5
217.02620	1.4
224.07217	1.1
225.05569	0.5
226.08772	2.3
227.00996	26.9
227.07175	0.6
228.01343	0.7
228.06644	2.2
230.03424	0.5
231.09259	0.4
236.07132	0.3
238.05162	1.4
240.06624	0.3
242.08247	46.7
243.08711	0.8
247.09006	0.3
248.07205	0.9
251.08247	0.5
252.06696	2.1
253.04805	0.3
255.06789	0.4
259.08829	0.8
268.06097	2.3
269.04425	0.4
269.07022	1.5
270.07727	100.0
271.08136	2.4
275.08228	1.9
277.09961	0.3
280.06158	19.3
287.08258	0.9
289.06302	0.6
293.09296	2.8
303.07770	5.4
315.07889	1.6
321.08829	13.1
322.09143	0.3
329.08069	0.3
330.08951	0.8
331.07251	92.7
332.07678	2.4
342.08948	0.4
378.06479	0.3
412.09320	0.3
498.09564	1.0
584.14600	6.0
594.79224	0.3
602.15741	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	602.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87054	4.2
61.98834	15.4
69.08430	30.1
84.06323	3.9
98.21860	6.8
122.02493	100.0
162.14171	5.0
334.92783	5.1
355.38605	4.5
411.95822	4.6
483.13556	5.3
559.24792	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	603.066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16593	0.4
59.01372	0.9
71.01389	1.0
79.95754	3.6
86.28445	0.5
92.61735	0.4
95.01421	0.5
96.96019	100.0
110.69485	0.4
113.02455	0.8
114.93423	0.6
119.93417	0.5
135.25133	0.5
136.98891	0.6
152.11465	0.5
164.98227	0.5
251.15144	0.4
253.01404	0.6
261.16376	0.4
268.31882	0.4
299.02057	1.1
314.04346	0.6
326.98291	0.6
329.06671	1.5
385.02634	0.5
396.80154	0.5
396.98611	0.5
404.06320	0.5
412.01169	0.6
427.03989	0.8
436.75327	0.6
439.03778	0.6
543.04303	0.7
603.06793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	82.7
63.64808	5.2
66.07022	5.3
75.45872	5.6
87.42553	5.3
88.94839	5.1
101.02477	7.3
105.04900	6.0
108.04609	6.1
113.02464	11.4
116.92878	25.7
119.05078	7.7
122.02526	58.0
123.02859	8.8
133.02960	15.8
167.03539	6.4
169.02626	5.5
247.08743	4.9
270.45123	5.5
285.04099	100.0
300.02631	6.3
324.90121	5.5
337.23846	10.5
350.56985	5.6
483.29413	8.8
559.31000	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	603.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.8
59.01383	17.1
69.27048	6.1
71.01380	2.0
81.03450	2.0
83.01411	6.0
85.02982	1.0
96.96020	1.5
97.02930	1.3
99.19900	1.1
99.81203	1.1
108.02119	1.1
109.02974	2.0
114.23064	1.2
123.04520	1.5
125.02462	100.0
126.02808	1.7
139.04033	2.6
149.02484	8.3
152.01114	1.1
153.01920	2.8
154.02341	1.1
165.05589	17.7
167.03523	6.9
216.22865	1.1
266.23492	1.5
269.06607	3.8
311.07733	8.1
437.10944	14.0
448.50815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.1
68.80656	4.0
75.87020	3.5
85.25317	3.9
87.68862	4.0
88.98813	23.1
107.18063	3.9
119.05110	4.1
173.41966	3.3
181.70168	4.3
202.54361	4.2
267.06607	14.5
279.06622	33.0
291.06613	15.1
292.07538	4.3
294.08859	6.0
295.06116	29.3
306.08960	15.1
307.06113	41.8
310.08463	38.3
322.08478	23.2
325.10779	76.8
337.10867	100.0
554.45624	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	603.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51678	0.9
55.91975	1.0
57.76740	0.9
59.01365	3.3
60.40100	1.0
69.09254	5.6
71.01382	3.1
73.02922	1.4
77.87431	0.9
78.95887	1.1
89.02386	1.1
96.96041	2.2
99.00870	1.3
135.04520	3.1
137.02495	1.1
145.06622	1.0
152.01234	1.4
161.02469	1.6
163.03932	1.4
171.04451	1.4
175.04031	1.5
191.03500	1.9
194.99388	1.4
258.94333	1.1
277.08630	2.0
285.03873	1.7
293.08124	1.3
305.08167	3.8
306.08957	3.8
307.09756	23.2
317.08063	1.4
319.09720	1.2
321.07779	2.9
331.09677	1.3
333.07809	2.2
334.08426	2.7
335.09259	11.5
335.31235	1.1
338.07861	2.2
345.07816	2.0
347.09375	1.4
349.21756	1.0
363.08737	41.9
364.09064	2.3
369.80191	1.2
375.08795	6.4
393.09818	23.5
405.09653	2.8
435.10431	1.3
483.13007	16.5
513.13849	3.1
603.17261	100.0
604.17529	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	603.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.5
60.92337	0.2
64.78619	0.2
69.33065	0.8
69.33472	0.5
71.01389	2.3
72.99323	0.3
73.02951	2.5
74.56322	0.2
75.86584	0.2
83.01372	0.4
85.02956	0.8
89.02451	1.5
90.90445	0.2
93.03462	0.9
99.00884	3.6
101.02430	1.3
113.02464	1.6
117.03480	7.4
118.68949	0.2
119.05038	57.5
120.05399	0.8
122.02509	0.6
131.03514	0.3
145.02969	19.1
146.03403	0.4
147.04517	1.0
149.02451	0.2
149.04550	0.4
155.03523	0.4
161.04622	0.3
163.04025	100.0
164.04341	2.0
190.35213	0.2
191.05557	0.6
218.62929	0.3
232.92316	0.3
397.15018	1.2
416.54117	0.3
439.15741	0.3
444.05582	0.3
457.17145	0.9
603.20630	2.1
630.28448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	0.2
59.01385	5.5
69.52929	0.5
69.53335	0.3
71.01404	2.1
72.99308	0.3
73.02950	2.4
83.01395	0.3
85.02969	0.5
89.02445	1.5
90.21635	0.2
93.03451	0.9
99.00893	3.5
100.42725	0.2
101.02460	1.2
104.99119	0.2
108.22784	0.2
113.02471	1.5
117.03480	6.4
119.05041	57.0
120.05404	0.7
122.02511	0.6
125.02470	0.4
131.03528	0.4
141.81757	0.2
145.02972	19.6
146.03375	0.2
147.04504	1.3
149.02483	0.3
149.04533	0.3
154.47194	0.2
161.04617	0.4
163.04033	100.0
164.04330	1.7
171.70041	0.2
178.74782	0.2
180.59523	0.2
190.02774	0.3
191.05559	0.3
192.22908	0.2
203.05661	0.2
205.05063	0.5
223.06154	0.4
238.46886	0.2
245.32837	0.2
377.44958	0.2
397.15228	0.8
456.10666	0.2
457.17273	0.4
603.21039	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	603.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98827	2.4
63.38449	2.2
68.84722	2.2
69.66573	5.1
69.66932	8.3
70.13211	2.5
70.27362	2.5
71.01390	41.4
71.65468	2.5
72.02016	2.3
73.02959	16.1
81.75546	2.5
83.01394	5.6
85.02957	11.3
87.00885	3.8
87.04483	2.3
87.16006	3.0
89.02453	31.4
98.22593	4.2
101.02451	23.3
113.02473	28.6
117.03494	4.9
118.53003	2.4
119.03496	13.1
119.05032	8.4
122.02525	5.1
124.63823	3.1
131.03517	3.3
135.04550	3.7
143.03488	4.9
148.51703	2.4
153.01897	3.6
155.03557	4.8
161.04590	5.1
175.04068	7.7
179.05659	6.0
181.01384	3.0
182.02162	7.9
183.02554	3.0
196.02576	7.4
197.04509	14.3
198.04840	7.2
199.05128	4.6
207.18668	2.5
213.01967	3.4
214.03625	6.2
229.33492	2.5
240.04018	3.5
257.04532	3.9
258.04706	3.4
259.05118	3.3
263.07126	4.2
281.08246	6.5
285.04248	2.8
296.10284	2.9
309.07770	27.5
324.10153	18.7
339.12399	50.7
355.24869	5.5
393.06360	2.7
394.06332	4.0
395.06335	3.3
401.06595	10.4
402.07288	13.5
403.07526	17.8
404.04947	3.1
405.05545	13.3
419.07281	3.2
517.29993	2.9
543.27991	5.8
559.22729	3.6
561.29309	13.2
603.09039	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	603.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62742	0.5
57.03454	100.0
58.03795	0.8
59.01384	12.7
61.98808	0.8
67.44232	0.5
67.83427	0.5
69.11017	0.5
71.01402	2.3
73.02958	1.0
73.41136	0.6
81.03475	1.6
82.03150	0.6
83.01411	1.8
84.53596	0.5
85.02963	0.9
89.02479	2.2
95.01361	0.6
98.22619	1.6
99.04530	33.0
101.02454	24.1
101.03111	1.1
113.02484	2.5
113.06095	0.8
116.92881	1.0
117.03502	1.2
119.03589	0.5
119.05053	7.0
122.02515	2.5
125.02454	6.8
131.64203	0.6
140.33513	0.6
145.02979	3.5
155.03525	1.6
161.04585	0.8
164.98320	1.0
175.04065	1.8
182.02275	1.5
187.04126	0.7
188.04758	0.8
190.06337	0.5
197.04631	2.2
202.81671	0.6
215.03564	1.6
227.03561	0.7
237.05696	1.3
240.08058	1.0
250.06342	0.6
253.05133	2.9
259.02524	0.7
265.05203	1.7
266.02448	0.8
266.05814	1.5
267.06860	0.7
268.07541	1.5
278.05884	1.3
280.04047	0.9
281.04581	11.5
283.02710	1.0
284.03400	0.7
285.04184	0.9
292.03915	0.9
293.04678	1.1
294.05365	1.5
295.06235	0.8
296.06824	2.6
306.05435	0.7
307.06165	2.2
308.06793	1.1
309.04160	18.4
309.07776	3.1
310.04779	0.7
311.09512	0.7
321.07828	2.0
323.05539	1.1
324.06390	26.8
325.07202	1.6
337.07193	1.3
339.08743	58.6
340.09088	2.8
354.11099	35.9
355.11887	2.2
367.12048	3.7
399.24863	0.6
405.06476	2.2
429.15457	6.0
451.16513	1.6
471.16644	49.0
472.16998	1.3
501.18103	0.9
511.19742	50.9
512.20337	2.0
541.21350	1.0
543.27643	0.9
561.29504	2.3
603.11572	1.3
603.21356	6.1
609.89008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78005	34.6
61.19302	26.9
67.90414	25.5
68.10944	25.7
69.66585	81.1
69.66953	62.4
71.34325	26.3
76.33447	41.1
78.68024	27.1
78.95887	74.5
96.96039	47.3
121.02976	49.5
122.02479	100.0
177.93025	27.9
199.58882	26.4
265.14673	42.9
443.16312	37.2
445.57129	30.7
464.11023	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84876	26.0
60.69503	26.8
63.37739	23.4
89.02440	36.3
96.96001	61.5
98.21868	100.0
115.04000	27.8
115.67948	27.0
118.53305	24.6
121.02986	39.5
122.02498	63.2
122.03320	31.6
135.82954	27.5
150.35777	29.7
152.85732	28.4
183.62431	27.9
370.97049	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	603.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62141	24.1
69.58436	49.6
69.58821	56.6
78.95898	34.1
79.21300	19.9
109.45970	20.7
120.13836	21.9
121.02996	34.4
122.02523	100.0
122.03271	23.2
123.02788	26.7
162.46193	20.1
162.85535	20.7
187.86127	20.3
213.25613	20.2
501.96942	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48264	0.7
53.31556	0.7
55.01887	1.7
55.56074	0.8
57.03445	1.4
59.01386	100.0
67.53265	0.7
69.03476	1.4
69.54066	3.8
71.01392	17.6
73.02949	5.5
78.36745	0.7
83.01418	2.6
84.28519	0.7
85.02962	9.6
87.00913	1.3
89.02486	2.6
95.01418	1.7
97.02963	1.7
98.21889	1.4
99.00906	2.8
101.02457	10.1
113.02466	10.6
125.02471	2.1
134.88747	0.8
143.03503	4.8
159.03049	1.4
161.04552	7.4
210.50722	0.7
247.43361	0.8
293.74316	0.8
307.22955	1.8
319.22787	4.5
335.45157	0.8
337.23917	8.5
463.27283	3.0
481.28226	7.6
499.29199	39.0
500.29471	1.9
517.30176	16.4
543.28455	1.3
559.31085	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62463	1.1
51.45344	1.2
59.01385	100.0
63.87199	1.2
65.00308	1.2
69.03471	3.4
69.14442	8.2
71.01398	14.4
73.02953	4.7
80.48412	1.3
82.83442	1.3
82.95415	2.9
83.01401	2.0
85.02966	9.5
87.45896	1.4
88.18167	1.2
89.02467	2.0
96.96009	3.0
97.03001	1.6
98.22723	2.3
101.02473	7.1
103.02967	1.3
113.02471	8.5
115.03977	1.2
119.05074	2.3
121.98804	1.4
125.02509	1.9
128.03545	1.9
135.04543	2.2
143.03508	3.6
161.02490	3.1
161.04599	6.4
210.18929	1.3
254.44810	1.3
283.02475	1.8
295.23007	2.2
337.23804	3.0
355.24896	7.3
387.19818	1.3
455.26672	1.3
483.29337	1.7
499.29181	47.5
500.29355	2.5
517.30402	16.0
518.30902	1.5
531.31598	2.8
559.31274	6.8
627.87567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.7
60.99316	4.2
66.09969	1.1
69.06538	8.1
69.06941	1.7
69.56800	1.2
87.00890	3.7
88.00416	2.5
88.98819	25.0
89.02455	100.0
97.61179	1.3
103.68678	1.1
104.42036	1.1
112.41463	1.2
115.04019	5.6
116.27834	1.2
158.88986	1.5
192.98119	1.2
198.84724	1.1
245.71893	1.2
417.18994	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31382	3.8
53.43603	3.6
59.18993	4.0
59.21423	3.6
60.99297	10.4
69.28330	17.1
78.95880	6.6
87.00863	4.9
88.98812	71.8
89.02448	100.0
96.96011	10.0
98.22596	9.2
166.64474	3.8
177.71178	3.9
270.50482	4.0
461.64078	4.8
467.71445	4.0
548.58881	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	604.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64981	0.5
59.01385	9.8
61.98837	100.0
69.03457	1.1
69.72717	1.7
71.01389	9.1
71.05029	2.2
77.11095	0.7
85.02941	0.7
91.64688	0.6
113.02482	0.8
117.03497	3.1
119.05064	2.0
121.02989	2.9
134.03851	0.6
135.04507	1.5
147.00912	0.6
149.35173	0.6
152.92329	0.6
164.98285	0.6
179.45287	0.7
197.02892	1.0
200.04787	0.8
221.08290	4.2
237.07903	1.2
255.03017	0.7
283.02271	1.1
284.03375	3.2
291.08902	2.5
309.04181	0.8
379.17447	0.7
381.12015	5.0
423.12952	2.7
518.25598	0.7
541.21014	3.5
560.26215	1.7
581.70740	0.9
604.20648	3.1
604.71320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11344	0.4
59.01390	9.8
61.98837	100.0
64.26489	0.4
69.03476	0.8
69.43657	1.7
71.01392	10.9
71.05039	1.7
85.03000	0.6
97.52289	0.4
101.55536	0.5
113.02454	0.6
117.03509	1.7
119.05085	1.6
121.02950	2.4
135.04584	1.4
153.14116	0.4
163.00378	0.5
197.02800	0.7
221.08232	3.6
227.03590	0.5
255.03085	0.7
261.29538	0.5
281.98764	0.4
283.02554	0.8
284.03290	3.3
291.08771	3.2
324.06223	0.6
338.18646	0.7
379.17828	0.8
381.12073	4.6
423.13028	2.9
479.21066	0.5
523.19690	0.5
541.20758	4.7
560.26459	1.5
579.58832	0.5
581.70221	0.8
604.21326	1.3
604.71179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	48.1
71.01386	12.9
71.41701	16.8
74.46501	10.8
76.11446	11.5
82.75433	9.3
85.93353	11.5
100.61560	10.6
115.87547	10.8
119.05000	14.0
309.07724	44.1
324.10132	45.6
339.12482	100.0
446.23529	13.1
585.14709	11.4
623.70758	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	604.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85840	21.1
58.68275	21.5
61.98835	46.5
62.15251	20.6
69.59101	100.0
69.59441	20.7
81.03469	23.3
87.04521	31.4
115.03293	24.5
122.02524	32.2
153.13551	25.6
284.03421	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13688	0.4
59.01385	100.0
65.41256	0.4
69.97813	1.4
78.03503	0.7
80.46494	0.5
81.57129	0.4
91.33219	0.4
91.86156	0.5
98.22584	0.6
105.11658	0.4
115.73573	0.4
122.02498	35.0
135.04562	0.7
145.94228	0.5
181.15344	0.4
235.83002	0.5
296.94421	0.5
344.71164	0.5
472.01788	0.5
604.24487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37678	2.0
57.03427	2.7
58.61036	2.1
59.01385	40.7
63.50139	1.9
64.90947	2.2
65.00318	11.3
69.13553	11.6
69.13963	3.4
83.01378	4.0
88.43107	2.2
106.96819	2.2
107.01405	9.8
109.02990	4.6
110.00117	7.4
122.02485	15.2
135.04532	100.0
136.04874	2.5
136.98882	4.2
137.02448	5.1
139.00356	5.9
151.00381	62.9
152.01157	3.7
160.41182	2.0
161.02382	3.1
165.99109	14.4
166.99884	13.7
167.03508	2.9
179.03523	2.7
180.00624	3.4
181.01430	36.4
196.88034	2.2
230.86147	2.0
287.05688	41.9
302.04388	16.8
317.06653	61.1
364.65027	2.5
527.84033	2.4
585.71155	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44204	0.6
56.75331	0.6
60.97663	0.7
61.98838	3.5
64.01952	0.6
65.00327	3.4
65.99869	2.0
68.99818	2.2
69.24229	1.4
69.24620	3.1
81.03458	2.2
85.57893	0.6
87.56192	0.8
90.03501	1.0
91.05569	1.0
92.05068	41.0
93.03461	4.3
94.03001	3.0
95.01396	4.4
96.04568	9.2
98.71722	0.8
107.05006	0.8
109.02944	6.5
110.02478	1.5
117.03483	1.8
119.01442	0.9
120.00921	1.6
123.04523	2.2
133.02959	0.7
135.03445	1.0
135.04527	4.8
136.00410	2.5
136.04054	67.5
136.98787	0.7
137.02454	17.1
137.04219	1.0
138.01970	0.9
140.03554	11.9
148.04063	0.7
151.00290	0.9
152.03560	2.0
156.08174	1.3
161.02505	1.5
161.19073	0.7
162.01910	1.6
163.99907	1.7
165.00722	3.6
168.08156	1.1
169.06651	1.1
171.04544	5.5
172.04057	0.9
177.01926	0.8
179.03517	3.1
180.03038	100.0
181.03346	1.7
184.07669	2.4
190.01463	1.0
190.98596	0.8
192.08267	1.2
196.07753	1.5
198.05559	0.9
204.08194	1.2
208.07704	1.7
210.05789	0.7
212.04874	0.8
212.07390	0.8
218.00969	0.9
220.07678	5.1
224.07169	3.5
226.05006	0.9
226.08745	1.7
228.06720	1.2
232.07770	3.1
240.06664	1.0
242.08218	8.0
248.07239	8.8
249.09361	3.2
250.08731	1.5
252.06714	2.5
253.04813	1.0
255.06721	1.6
258.09174	0.9
260.07257	0.9
262.08740	2.2
266.54816	0.8
267.06735	0.9
268.06046	5.8
269.06921	2.6
270.05017	1.3
270.07736	17.2
272.07434	0.8
276.06732	5.0
276.09375	0.9
278.04648	1.8
280.06284	1.3
289.07285	0.9
290.08209	12.6
292.06116	1.0
294.07642	1.7
295.04895	1.5
296.05643	6.8
302.08548	0.9
304.06323	1.0
304.09732	1.4
328.09634	1.0
334.07242	12.4
334.11331	0.9
334.12854	0.8
335.07474	1.3
338.11731	4.4
349.05963	1.8
352.13327	1.9
360.05231	1.2
380.12939	37.5
381.13281	2.2
382.10751	2.9
382.14868	1.6
398.13950	4.5
424.11896	9.5
425.12622	1.0
464.11279	2.9
466.12943	2.4
474.17197	1.1
476.15118	2.4
478.12872	0.9
482.12537	5.3
500.15085	2.2
518.16290	7.9
520.13800	1.4
544.13928	1.5
561.17316	3.7
562.15234	2.5
588.12891	0.9
605.15692	76.0
606.16052	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	605.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88500	0.6
57.52048	0.5
65.00322	1.0
65.99837	1.3
68.99821	0.5
70.14227	0.8
70.14548	0.7
81.03435	0.8
93.03474	5.8
95.01376	0.6
96.00858	0.5
107.05052	1.3
109.02982	3.1
110.02488	0.7
111.04539	0.6
119.01426	0.6
121.02921	0.6
131.91705	0.4
133.03009	1.0
133.03897	0.5
134.02490	0.9
135.00861	0.6
135.03459	0.8
135.04532	15.2
136.00398	1.5
136.04045	4.8
137.02443	1.8
141.85362	0.5
148.00372	0.6
148.01645	0.4
149.02480	0.7
150.05556	0.5
151.02847	0.9
151.04015	4.9
152.03467	0.9
160.04051	5.9
161.02478	2.5
162.01913	0.5
163.00386	1.1
163.99883	0.9
165.99040	0.5
171.04504	1.4
176.00128	0.4
177.01927	3.3
178.05103	1.3
179.03506	3.6
182.06061	0.9
190.01524	0.6
192.03145	0.6
194.04593	5.2
202.01372	0.8
204.03090	0.6
205.01389	2.3
210.05643	0.8
222.04066	11.6
222.99475	0.4
225.05612	0.6
226.08725	0.8
234.05412	0.5
234.59114	0.6
242.08237	4.5
246.09225	0.4
247.03638	1.6
248.07176	0.6
248.11005	0.5
252.06624	1.0
268.03772	9.1
268.06229	2.1
269.04208	0.7
270.07697	7.2
274.08688	0.8
276.06723	1.0
276.10242	0.9
278.04688	0.7
280.06177	0.7
283.06116	7.9
294.07751	1.5
299.09357	0.6
302.08255	0.9
318.07669	1.6
320.05734	1.1
328.09891	0.8
334.07169	1.9
335.07544	1.1
335.11050	0.6
363.09824	4.7
380.12671	0.6
389.11725	1.1
391.08853	0.9
397.03110	1.6
413.11676	0.5
433.10358	0.6
439.09531	0.5
440.07831	1.0
456.06873	0.8
457.11548	0.6
467.74847	0.6
473.09653	0.8
501.09433	6.1
518.16400	0.5
561.16876	0.5
577.16071	0.5
605.15680	100.0
606.16180	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	605.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56636	5.4
61.98801	7.2
70.16341	12.8
70.16661	5.7
95.43475	5.8
98.21782	5.8
113.00303	8.0
129.15929	7.0
131.01404	11.8
131.05019	7.2
134.00206	5.7
145.02977	6.0
146.00069	6.2
159.00920	12.7
163.00386	13.0
171.04462	8.5
173.99590	14.5
175.00392	17.9
189.02005	8.8
189.99091	9.0
200.98161	7.2
202.99886	63.9
217.01550	7.7
218.99242	7.1
233.00891	14.9
236.59082	5.8
249.05632	10.5
261.00330	38.6
261.05170	5.5
262.01044	6.3
265.05136	8.8
267.06705	9.2
270.07523	15.5
277.04959	9.7
278.05811	9.6
279.06619	19.8
295.06015	15.5
305.04483	11.7
307.06235	100.0
313.33112	6.5
323.05588	10.6
333.04077	8.4
335.05676	63.5
337.07062	14.1
339.08380	7.9
341.06470	5.8
348.42630	6.2
365.06680	75.9
367.08426	42.5
378.03735	26.4
393.06055	17.4
410.06357	11.4
440.80060	6.2
502.73682	6.5
511.73938	8.9
573.14160	36.7
605.15680	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	605.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09149	6.9
53.19205	5.7
58.33150	5.4
62.75374	5.3
126.90430	7.3
190.06358	6.6
262.96323	7.6
270.41580	6.5
281.08078	11.5
297.07709	33.2
309.07907	37.7
309.10974	11.7
312.10104	36.4
324.10114	22.5
327.12451	100.0
328.12793	6.9
339.12381	89.2
381.81256	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54074	0.2
55.01878	0.4
57.03454	0.8
59.01081	0.4
59.01382	8.1
61.10897	0.2
71.01387	3.4
71.21076	0.2
72.99287	0.2
73.02952	2.3
83.01405	0.9
85.02954	2.0
89.02463	0.7
89.03976	0.7
91.05539	0.9
93.03493	0.3
95.01382	0.4
99.00884	1.1
99.04507	0.3
101.02444	3.0
105.03467	0.3
106.04276	0.5
107.05043	2.5
108.02206	0.2
109.02963	0.3
111.00918	0.2
111.98940	0.2
113.02464	1.4
117.03458	1.5
123.04507	0.2
126.11021	0.2
131.03477	0.3
132.02164	1.2
133.02972	16.8
134.03766	8.6
135.04538	100.0
136.04857	1.6
137.41196	0.2
143.03548	0.4
159.02933	0.3
161.02458	49.0
161.04604	2.0
162.02783	0.9
179.03508	75.9
180.03880	1.3
191.09366	0.2
233.01866	0.2
234.88557	0.2
251.09528	0.2
269.10345	1.7
273.06299	0.2
284.10016	0.2
297.94724	0.2
311.11282	0.3
318.11081	0.2
339.12170	0.2
341.10266	0.2
369.32156	0.2
383.13272	0.3
401.14578	1.4
443.15613	2.6
444.15662	0.2
545.16443	0.3
563.17737	1.7
605.18781	30.6
606.19073	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77658	1.0
57.03461	2.6
59.01385	21.5
61.98822	1.8
66.51759	0.9
71.01377	6.6
71.43281	1.1
73.02988	1.9
73.56432	1.0
83.57562	1.1
85.02971	2.2
87.00923	0.9
89.02458	3.1
95.01421	1.5
96.96028	1.0
99.04543	1.8
99.08517	1.0
101.02456	3.7
111.00864	1.5
113.02473	3.9
117.03470	2.5
119.03465	1.1
119.05039	3.5
119.80264	1.0
121.03008	2.1
122.02510	3.7
123.04578	1.5
125.02471	1.4
132.02194	3.8
133.02972	8.9
134.03758	51.3
135.04558	20.0
136.01640	1.0
137.02484	2.1
147.04500	10.9
148.05345	7.9
149.06104	14.0
158.03764	4.2
160.01668	25.7
161.02397	2.9
161.13329	4.9
162.03319	1.1
163.03992	1.3
163.07735	1.7
164.04709	1.6
165.01950	2.0
173.06038	4.3
174.03244	1.6
175.04015	36.4
176.04797	30.3
177.01965	5.9
177.05548	1.8
178.02754	10.7
179.03458	2.3
179.05707	1.0
191.07153	37.3
192.04269	5.9
193.05078	75.0
194.05429	1.1
202.02795	0.9
205.12340	10.3
207.06659	15.7
217.05110	3.8
220.03709	6.6
221.04555	1.7
223.06314	1.1
235.06129	100.0
236.06493	3.5
236.22845	0.9
243.49934	1.1
249.11359	3.1
251.05563	1.1
265.07187	43.1
281.06680	1.5
287.06097	1.1
295.08270	54.8
296.08685	2.0
305.00378	1.0
355.10327	12.0
385.88843	1.0
425.18216	2.5
429.17120	1.1
534.45422	1.1
561.23407	2.3
605.20978	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14948	0.6
57.03453	100.0
59.01383	2.2
69.56881	2.1
76.27429	0.6
81.03484	1.7
83.01385	0.8
98.22669	1.2
99.04529	27.9
99.11501	0.6
101.02454	22.2
120.27370	0.5
125.02466	3.1
150.18753	0.6
265.05173	0.8
267.03079	2.0
268.07330	0.8
270.09122	0.6
281.08337	0.7
282.09390	0.7
283.06183	3.1
290.81021	0.6
293.04587	1.1
294.05273	1.3
296.06897	1.0
300.10187	1.1
308.06729	0.7
309.07755	2.2
310.08493	0.9
311.05722	8.8
311.09323	1.7
312.06210	1.1
323.09363	2.3
324.10141	1.9
325.07404	0.7
326.07971	14.9
327.08743	2.3
327.12341	0.9
329.37375	0.7
338.11606	0.9
339.08847	2.3
339.12521	2.4
341.10300	27.3
342.10910	3.2
356.12662	19.3
356.16843	1.1
357.13522	5.1
369.13428	6.0
370.13858	0.7
431.17154	1.6
455.17337	2.4
473.18188	17.8
473.24573	1.0
474.18256	1.0
495.20432	2.4
513.21381	29.3
514.21924	2.3
543.22491	1.6
572.13220	0.6
605.22491	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	605.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81973	1.7
70.56326	2.5
105.01979	1.6
302.29999	1.7
339.62234	1.8
396.08704	2.1
459.18063	3.4
473.19733	5.4
485.19370	3.0
486.20428	4.0
487.21469	2.1
501.22998	2.5
511.21204	1.8
513.19604	3.8
514.20062	8.5
518.20471	2.2
529.22540	100.0
530.22577	7.9
533.21814	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	605.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60917	1.4
78.83341	1.6
98.22643	6.5
102.50405	1.5
102.99720	1.4
106.84778	1.5
335.08331	2.1
459.18137	4.5
473.19818	5.2
486.20477	5.1
496.19461	2.1
503.83621	1.8
511.20969	3.5
513.19403	2.1
514.20520	7.8
529.22510	100.0
530.22528	6.0
573.21527	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	605.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	17.9
59.01391	22.1
64.72031	1.9
65.69370	1.8
67.77037	1.8
71.01381	3.2
74.02477	3.3
75.00872	2.9
89.00668	9.6
89.02457	2.6
97.77839	1.8
99.05657	23.0
100.00392	3.7
113.02470	3.4
122.61240	1.8
137.54037	1.6
137.70532	1.6
143.04639	100.0
149.95749	1.7
183.05710	1.7
206.72310	1.8
209.85072	1.8
233.06044	14.4
329.19681	2.6
339.19983	2.5
339.29572	1.8
357.21173	10.2
383.18777	2.6
392.80716	2.0
401.20203	2.0
419.20975	3.0
420.98465	2.1
461.22345	2.8
501.26501	54.7
502.26917	4.9
527.24225	13.0
545.25378	27.5
546.25586	2.3
563.26654	4.6
574.44617	2.0
587.11450	2.3
605.27142	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	605.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24003	3.4
50.75201	3.5
55.56659	3.6
59.01383	71.8
61.22068	3.3
71.05036	11.3
78.95959	3.7
79.63396	3.7
83.27026	3.3
115.04026	100.0
117.05592	80.1
119.08676	6.2
129.05627	7.1
163.07658	11.9
271.11871	16.1
273.15009	43.8
273.22635	3.7
293.74429	3.5
347.18689	11.3
354.97424	3.7
422.22949	4.5
566.22156	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	606.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04231	0.8
59.01397	2.2
65.00327	2.1
65.99855	2.2
66.00671	0.9
68.99828	1.0
69.48313	4.2
70.81816	0.8
110.02503	1.4
116.40947	1.0
119.01440	1.2
120.00993	1.3
124.04038	3.2
134.02565	1.8
135.00948	1.0
135.03407	1.2
135.04536	1.7
136.00444	1.6
136.04062	3.7
137.02428	1.1
146.02515	1.7
147.04526	1.0
148.04108	1.9
150.01985	4.2
160.04044	1.4
161.02438	1.2
162.01999	3.6
164.03551	7.9
167.05016	1.0
171.04553	3.3
176.03445	1.1
190.01244	1.4
192.03014	5.6
218.04611	3.5
223.06306	1.7
224.07137	1.6
225.05617	1.8
226.08755	1.3
226.86906	1.1
236.70467	1.0
240.06624	1.3
242.08237	7.1
250.08730	1.6
254.08290	2.1
255.06581	1.5
268.06268	3.4
268.09802	12.6
269.04477	1.4
270.07751	13.4
278.08359	1.8
280.06192	3.4
293.09122	1.2
294.07742	1.6
296.09290	100.0
297.09637	4.2
312.08627	2.4
320.09299	1.9
338.06787	1.9
338.10364	12.2
364.08301	33.4
365.08408	2.2
440.09665	2.0
530.14532	2.2
588.13507	1.2
606.15277	16.7
607.14069	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	606.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99834	3.0
68.99820	3.9
91.72772	1.9
98.02485	3.9
102.77072	1.8
123.03280	3.5
134.00079	2.1
135.03310	2.8
136.00417	4.4
151.02788	2.2
161.99585	5.1
163.99889	3.1
166.01405	2.4
171.04532	6.7
177.01910	2.2
189.99078	11.8
192.03108	2.0
203.16313	1.8
224.06871	2.1
242.08261	19.3
255.06664	4.1
268.06195	9.5
270.07736	37.7
270.10413	3.7
280.06247	5.4
284.52704	2.1
294.05417	11.7
295.06079	3.6
307.06107	2.9
320.05649	8.1
323.09235	2.3
335.09216	8.9
390.13409	2.8
434.12430	9.6
453.26804	2.0
562.19324	2.6
588.15491	2.3
589.12964	3.2
606.17786	100.0
607.18060	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	606.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.1
62.34188	2.0
65.00323	2.1
69.07523	1.9
69.54116	6.8
69.54504	4.4
74.63479	2.0
80.80519	2.3
98.02437	2.6
106.00534	2.1
107.41217	2.2
134.00017	2.4
134.02492	3.5
136.00447	3.7
161.99611	3.2
163.99925	3.6
171.04514	6.9
181.57767	2.5
189.99083	10.6
202.99905	3.8
213.05614	2.3
234.17622	2.1
235.58720	2.5
242.08289	16.3
255.06616	8.1
268.06094	8.8
269.04391	2.8
270.07693	27.0
294.05313	11.1
320.06561	3.0
335.09271	11.9
434.12384	16.0
606.17731	100.0
606.27643	4.9
607.18079	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	606.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33654	14.0
57.45258	12.8
61.98838	100.0
70.65938	19.9
81.52876	12.9
85.02975	13.6
96.16396	14.0
117.03497	23.5
119.05039	62.8
121.02977	23.1
122.02486	66.1
163.19466	15.3
262.38849	13.2
284.03278	17.5
285.03867	23.1
286.04834	16.7
384.48013	13.8
385.51932	13.3
606.22528	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	606.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95613	1.3
61.98837	100.0
78.95904	2.7
87.94450	1.4
88.63721	1.3
123.69614	1.3
173.62920	1.3
209.07523	1.3
214.17973	1.5
250.33438	1.1
292.19885	1.2
358.11868	1.6
398.26431	1.4
462.15298	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01367	1.4
65.00314	0.6
69.31240	2.1
71.01367	1.4
75.00876	0.5
84.75205	0.5
85.02962	2.7
87.18855	0.5
95.01382	1.5
96.96021	1.1
97.90936	0.4
99.00870	1.2
109.46841	0.4
110.00148	0.7
113.02455	4.2
117.03466	0.4
128.90166	0.5
132.45671	0.5
136.98785	1.3
139.00392	0.5
141.07104	0.7
145.03006	0.7
163.00325	0.4
165.99063	1.2
166.29671	0.4
166.99811	0.6
169.06584	1.6
171.04449	0.5
175.02493	1.0
184.05247	0.4
195.04480	1.5
197.06052	1.9
199.03931	0.5
207.19048	0.5
212.04770	0.6
213.05508	0.6
213.93114	0.4
223.04005	2.3
224.04910	0.5
225.05507	0.9
232.39914	0.4
239.03487	1.2
241.05051	3.0
251.03436	2.6
267.02945	1.1
268.03787	16.6
269.04556	100.0
270.05008	3.0
285.03967	0.6
330.26474	0.4
431.09854	71.1
432.10233	3.5
445.07703	1.0
486.09586	0.5
607.13275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.8
62.96397	2.6
71.01379	4.9
74.96431	5.3
76.96128	2.5
78.95910	3.4
84.30428	2.2
85.02963	11.0
87.00880	1.8
95.01368	3.5
99.00890	5.3
107.01391	2.8
110.94118	36.3
112.93826	36.7
113.02473	18.1
117.03486	6.1
121.34572	2.2
143.11615	1.9
147.62343	1.9
149.02393	5.8
151.00345	4.6
151.04042	3.1
153.01932	5.6
162.14427	2.0
168.94609	7.8
170.94400	3.6
175.02490	4.9
204.90440	3.6
204.92305	55.7
206.91986	54.9
268.03748	2.6
269.04556	100.0
270.04819	3.1
380.27518	2.0
431.09814	62.1
432.10382	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	607.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
59.01377	2.6
61.98841	6.3
69.46194	1.4
71.01389	1.6
73.02959	0.6
93.03472	34.0
101.02477	0.9
113.02422	0.7
113.44523	0.7
122.02507	0.8
130.31871	0.6
137.02463	100.0
137.41621	0.6
138.02780	1.1
155.62640	0.6
237.38319	0.6
285.54959	0.6
402.25381	0.6
403.17758	0.7
563.17383	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	607.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43624	0.7
53.14600	0.7
58.84996	0.7
59.01391	5.2
61.98841	4.9
62.75335	0.7
69.48561	3.4
71.01392	1.5
72.23528	0.8
73.02957	0.8
82.44614	0.7
93.03468	56.3
94.03786	1.5
100.02803	0.7
117.03495	1.5
119.05032	3.2
121.47546	1.0
137.02457	100.0
163.03999	1.1
172.84737	0.7
219.33574	1.0
227.06758	1.0
251.59744	0.9
277.05179	0.8
336.10138	0.8
563.34277	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.9
62.02204	0.8
63.02394	2.6
65.00326	6.9
68.99790	1.1
70.72427	1.9
83.01398	3.5
96.00914	2.8
107.01418	5.4
130.79628	0.8
136.00424	23.8
136.01479	0.8
137.03546	1.6
145.06653	4.4
151.00375	11.9
163.99925	23.8
164.01151	1.5
169.06621	3.3
171.04503	3.1
172.05380	1.0
180.08368	0.9
182.30151	0.9
183.08145	1.0
185.06036	1.5
187.07643	1.8
198.05681	1.6
206.21059	1.2
211.07632	3.6
213.05595	9.2
221.91261	0.9
222.40738	1.1
224.07188	2.0
226.05081	2.5
240.06631	4.4
242.08136	1.4
253.05176	1.4
255.06641	100.0
256.06985	3.0
268.06155	64.2
269.06512	2.7
270.07645	1.2
351.09760	2.2
456.52234	1.0
524.13556	98.6
525.13733	6.3
607.17303	29.6
608.17163	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	607.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56527	4.2
56.07114	3.7
59.01377	17.5
61.99553	4.0
65.00328	15.6
65.16592	4.0
65.44483	4.4
65.99856	7.9
67.01883	8.2
67.30240	3.9
68.99829	10.7
70.66916	5.1
71.01386	11.2
71.79682	4.4
72.99312	5.2
85.02937	10.1
87.00886	4.5
91.05523	9.0
110.06123	18.0
112.98815	17.3
113.02464	26.1
133.50673	4.8
136.00410	5.9
136.07690	32.3
136.98781	7.8
143.05013	4.6
145.06599	6.1
150.02010	5.2
150.03226	7.5
152.07227	30.2
164.98303	10.5
165.00667	6.2
169.06616	5.0
171.04535	16.2
173.06104	6.3
180.06705	60.1
180.08122	8.3
182.04619	8.8
184.07719	8.2
189.05544	8.6
208.07664	6.0
214.85094	4.4
217.05069	5.2
219.06638	15.3
220.07664	11.2
229.05113	6.9
232.07651	11.1
242.08293	6.9
248.07158	13.0
250.08801	6.4
252.06702	14.1
264.48645	5.0
268.06329	5.2
269.04446	22.8
269.07095	5.4
270.05057	6.4
270.07590	23.1
271.05930	6.5
274.08722	4.5
276.06635	20.0
278.04889	7.7
280.06189	7.0
294.07590	12.8
295.05795	4.5
302.08438	7.2
317.21194	38.3
322.07129	5.5
336.14304	5.3
338.11899	11.7
353.25726	5.1
359.22375	43.1
380.13031	79.9
381.12689	4.9
382.10715	11.0
398.13995	55.6
424.11935	14.8
450.13254	9.6
466.13016	36.7
494.12463	51.9
519.19373	40.1
522.12079	6.3
535.19086	25.2
563.18298	100.0
563.27374	5.9
564.18866	8.3
582.05573	5.2
607.13995	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78622	8.3
72.99299	8.4
98.21935	5.9
99.44406	2.7
107.11710	3.3
108.02153	3.8
109.02987	3.8
119.05022	24.6
121.02991	3.7
123.04532	6.1
133.31764	2.9
152.01132	4.8
153.01964	3.4
160.05321	10.7
163.04013	20.1
167.03496	8.9
175.07616	11.4
177.05615	3.5
178.06322	5.6
192.08051	3.5
244.48058	3.7
269.04492	3.9
269.08185	20.7
281.08331	6.3
283.09680	4.2
299.09290	12.0
311.09277	9.9
314.11679	20.9
326.11609	12.9
329.10193	6.6
329.13953	100.0
341.13907	29.0
439.12686	5.9
468.50146	3.1
502.69296	3.9
607.15613	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	607.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
70.59761	1.4
70.60092	0.9
71.01369	1.7
73.02933	1.4
85.02936	1.5
86.01080	0.7
89.02444	1.1
96.96013	1.2
101.02477	1.1
104.63804	0.8
108.02180	2.1
113.02468	1.5
117.03458	2.4
119.05056	1.6
134.03746	1.6
135.04535	1.2
145.02975	4.1
152.01175	2.7
161.02483	1.2
161.04526	0.9
177.05502	1.2
238.06252	1.4
251.05540	0.9
266.05743	1.9
278.05902	2.5
281.05109	0.7
281.08115	1.7
284.03198	1.3
285.03995	2.2
297.07693	1.6
306.05264	3.5
307.06064	2.8
310.04831	1.3
320.06488	1.0
321.07626	9.5
322.04761	1.0
322.08334	2.6
325.07108	5.8
336.10040	3.7
337.07187	7.8
337.10788	1.9
340.09412	6.2
341.13852	1.1
352.09314	2.0
355.11899	22.0
356.12158	1.5
358.17917	0.8
367.11887	32.7
368.12167	2.3
403.13855	1.3
431.09933	2.3
554.49170	0.9
607.21625	1.6
621.87225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25850	0.5
55.01889	0.6
57.03455	0.6
59.01379	4.0
65.00319	1.6
68.99829	0.6
69.03455	0.5
70.26199	1.0
71.01389	7.8
72.73778	0.5
72.94053	0.4
73.02943	2.8
81.03465	0.9
82.93960	0.4
83.01400	2.6
84.36940	0.4
85.02964	4.6
87.00900	1.2
89.02457	1.3
91.01339	0.5
91.01900	9.8
92.60395	0.5
95.01394	1.5
96.99291	0.5
97.02950	0.5
99.00890	1.6
101.02435	3.9
102.46768	0.5
107.01410	1.9
108.02183	10.5
109.02956	1.9
111.00893	1.4
113.02464	3.8
115.05549	0.7
123.00893	0.8
123.04537	34.8
124.01711	0.7
124.04877	0.6
125.02524	1.0
131.05003	0.9
133.06584	0.9
137.02478	0.8
143.03490	0.4
151.00359	2.5
152.01154	9.6
153.01921	1.9
161.04573	2.1
162.03250	0.6
166.02730	2.3
167.03505	100.0
168.03845	2.5
178.02750	0.5
179.03418	0.6
181.05066	1.1
194.02299	0.8
194.28937	0.4
195.02841	0.9
205.90308	0.5
209.04546	6.5
235.02112	0.4
239.05766	0.9
251.05629	2.5
263.83447	0.6
269.04501	1.8
269.06830	1.5
296.05405	0.9
300.62830	0.5
311.07761	11.0
337.08063	0.5
371.10013	0.9
380.74139	0.6
439.16141	0.7
439.99881	0.5
477.25864	0.5
607.20416	45.7
608.20996	4.0
614.28961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01387	6.4
61.98821	0.8
71.01386	6.2
75.00876	1.2
76.62601	0.7
85.02958	7.2
89.02453	3.1
95.01399	2.4
99.00898	1.2
101.02441	2.0
113.02460	14.3
115.92030	0.8
117.03482	26.2
119.03555	0.8
119.05042	10.1
123.04549	3.3
133.02980	3.8
134.03738	1.2
135.04543	9.9
136.04927	1.0
143.03557	1.1
145.02979	100.0
146.03334	1.9
149.64899	0.7
153.05606	4.6
160.01648	2.0
160.33484	0.6
161.02475	11.3
161.04552	0.8
163.04019	10.1
164.61746	0.6
166.02756	0.9
175.03995	3.5
181.05092	1.5
193.05083	2.5
269.04425	1.2
284.03189	3.6
299.05707	1.8
315.11057	1.3
399.41226	0.7
402.14090	0.8
412.73679	0.7
461.10236	0.9
461.16696	24.3
462.17331	1.8
607.20404	35.4
608.20636	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	607.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05882	0.6
55.26559	0.6
58.32092	0.5
59.01392	5.4
66.71651	0.5
71.01405	2.8
72.99317	1.0
73.02963	1.3
82.75076	0.5
84.86866	0.6
85.02968	1.6
89.02467	3.0
89.03988	2.8
89.88078	0.5
98.21772	0.7
99.00887	3.1
101.02467	1.3
101.40707	0.6
113.02447	2.6
117.03482	6.8
119.03557	1.1
119.05053	2.3
132.02223	3.5
134.03758	82.9
135.04076	1.3
137.06085	0.7
145.03041	1.1
149.04811	1.0
149.06085	6.7
160.01685	15.2
160.03032	0.8
161.04568	0.5
175.04021	26.6
178.02710	4.0
193.05078	100.0
194.05440	2.6
205.05032	0.7
215.40817	0.6
223.71921	0.5
291.22021	0.6
291.83929	0.8
344.26474	0.6
351.75577	0.6
409.24890	0.6
413.14551	4.8
431.15567	4.4
607.20166	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81398	2.7
56.98514	2.5
59.01384	6.3
64.37296	3.0
69.34779	11.1
71.01366	5.5
77.42421	2.7
85.13189	2.6
89.05206	2.6
97.02982	2.7
98.22660	6.2
101.02413	3.9
113.02454	3.5
121.02991	4.9
135.04549	3.1
150.03238	3.2
159.04561	6.9
160.05295	24.1
161.06088	7.6
175.07718	19.8
177.05588	5.1
178.06334	11.1
192.07890	7.1
209.11775	17.4
303.05154	4.4
310.77258	2.7
324.17264	3.5
329.13959	100.0
330.14435	4.4
495.37573	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	607.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.0
64.80628	1.7
65.00323	3.8
70.10957	2.3
71.01395	5.4
71.41115	2.5
73.02963	2.7
81.03461	8.6
83.01405	8.6
85.02958	2.2
95.01402	4.9
95.05032	6.2
96.55037	1.8
96.96014	3.1
97.02953	4.8
108.02213	3.2
109.02956	4.5
111.04552	2.7
111.47341	1.9
111.81193	2.0
113.02462	6.0
116.04190	1.9
117.07044	2.1
117.89291	1.7
118.69949	1.9
119.05052	3.6
121.02955	3.8
123.04556	14.7
124.01642	2.3
125.02464	11.3
132.02112	2.8
134.03712	3.3
135.00935	1.9
135.04521	3.0
137.02451	3.4
137.06087	3.3
137.21655	1.9
138.03317	2.1
139.00410	2.2
139.04004	5.3
147.04550	3.8
150.03183	3.4
151.00415	5.4
151.04030	4.6
152.01212	3.1
157.06548	3.5
160.01675	6.5
161.02272	3.6
163.03979	2.4
164.04790	3.2
165.01849	2.2
166.02719	13.7
167.03516	28.5
175.03973	14.9
176.04433	6.0
179.03494	8.4
180.04272	2.6
181.05063	30.0
190.06271	3.1
191.03447	3.0
193.05025	3.0
197.04549	4.5
199.07645	11.5
207.02997	2.9
209.04555	24.7
239.05646	7.2
239.10815	3.0
267.06512	4.3
269.04526	10.0
283.09665	7.5
293.04361	2.2
295.09665	3.3
306.91675	2.1
325.10815	18.4
337.10818	9.5
343.15527	6.3
355.11993	10.3
367.11887	100.0
368.12192	6.6
379.11725	4.3
388.88730	2.8
397.12930	87.6
398.13300	4.0
403.17630	35.0
409.12930	5.1
427.14041	27.0
451.14322	2.5
469.14905	6.3
487.16013	10.3
499.16132	9.7
517.17078	2.8
607.20825	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	607.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08249	0.1
59.01384	2.9
61.98835	2.9
61.99140	0.2
63.02392	0.3
65.00323	2.0
67.01904	0.2
69.13397	0.6
69.13799	0.3
71.01393	1.8
72.99323	0.2
73.02951	1.6
81.03465	0.1
81.32040	0.1
83.01408	0.4
85.02975	0.5
89.02446	0.8
91.01903	11.2
92.02220	0.2
94.98093	0.3
95.01389	0.4
96.96006	0.1
97.04105	0.2
98.02520	0.1
99.00883	1.8
99.05690	0.1
99.17686	0.1
101.02461	0.9
107.01318	0.2
108.02179	6.6
108.04560	0.2
109.02985	0.4
111.00874	1.0
112.04061	0.2
113.02450	0.9
116.92917	0.1
117.03461	0.2
119.03516	0.1
119.05058	0.3
121.02973	2.7
122.02488	0.5
123.00931	0.4
123.04538	32.5
124.01687	0.6
124.04037	0.2
124.04871	0.6
127.05188	0.3
135.04521	0.3
139.00406	0.2
140.07222	0.2
147.14633	0.1
149.04613	0.2
152.01175	4.0
155.08292	0.5
161.04602	0.4
165.06818	0.2
167.03510	100.0
168.03851	1.7
183.07747	0.7
191.05699	0.2
209.11751	0.2
225.05194	0.2
227.06747	1.7
241.08775	0.2
269.04489	0.2
359.14816	0.3
361.16620	0.2
397.14990	0.6
443.16077	0.2
565.18671	0.2
607.20569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76762	0.4
53.95357	0.5
59.01389	2.4
66.44513	0.4
69.67511	0.8
69.67867	1.5
71.01381	3.4
73.02944	1.8
83.01391	0.6
85.02960	2.0
91.05535	0.6
92.61827	0.4
93.03468	1.0
101.02445	2.6
103.77496	0.5
104.02718	0.6
113.02435	1.9
113.64084	0.5
117.03500	0.9
119.01397	0.7
119.04996	0.7
121.02963	8.5
121.03819	0.4
124.04587	0.5
132.02170	0.9
135.04544	1.0
147.04506	2.8
149.02451	54.6
150.02797	0.8
157.07370	0.5
161.04610	1.1
163.03970	0.8
164.04805	47.8
175.00388	3.3
179.07166	5.3
190.02745	8.0
193.01418	0.9
205.05046	10.1
208.03764	1.9
223.06123	100.0
224.06505	3.0
267.93286	0.4
269.10220	0.9
285.03934	1.0
360.42697	0.5
383.13232	0.8
386.76355	0.5
401.14514	1.9
408.16299	0.5
503.25763	0.5
607.19934	2.9
634.50446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03092	2.0
65.00311	2.0
77.59345	2.1
110.02465	2.3
123.03271	2.8
134.02513	2.5
135.03253	2.2
136.00371	5.2
138.01994	2.3
151.02782	5.5
155.02365	1.9
163.99939	3.8
177.58591	1.9
191.72415	1.8
197.28052	2.0
213.75282	2.3
224.07056	2.0
226.08771	2.4
232.06042	2.4
242.08266	35.3
252.06633	2.2
268.06104	26.7
270.07733	100.0
271.08054	3.9
318.11496	2.4
336.12469	27.6
338.13971	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	607.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92132	0.5
59.01388	4.4
61.98838	100.0
69.08746	3.6
71.01422	0.6
73.02960	0.6
78.81688	0.5
85.02970	0.6
93.03467	7.1
96.99118	0.6
100.68830	0.5
122.02509	2.4
133.82120	0.5
134.06200	0.6
135.04538	0.7
137.02469	20.4
192.56779	0.5
209.73523	0.5
209.87987	0.5
278.07159	0.5
281.09387	1.2
397.13776	0.5
401.06693	0.8
460.19415	0.9
488.18454	1.1
564.19690	4.0
596.69977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39211	1.0
55.01868	1.4
57.03436	4.7
58.00586	1.3
59.01384	72.0
59.60056	1.0
71.01388	65.2
72.99293	3.2
73.02940	7.0
80.43002	0.9
81.03459	1.5
83.01376	2.9
83.05018	4.1
84.02175	1.1
85.02956	39.2
87.00507	0.9
87.00889	10.7
89.02453	41.5
92.79866	1.0
95.01395	16.0
97.02928	2.3
97.88909	0.9
99.00855	1.8
101.02444	24.0
110.94158	1.6
113.02462	100.0
114.02863	1.2
119.03500	9.8
125.02460	5.0
127.03981	2.9
131.03520	14.0
131.07103	1.8
134.03752	10.1
135.04523	1.3
143.03496	5.8
149.04570	5.9
149.06100	5.1
152.04773	2.2
153.01915	1.6
161.04547	15.3
163.11244	2.4
175.04022	1.2
179.05547	1.8
185.44748	1.0
191.04141	1.0
191.05602	5.6
193.03462	2.3
197.04700	1.2
204.92307	3.6
206.92096	1.2
209.11853	61.0
210.12340	1.4
211.42264	1.0
218.77956	1.0
221.06720	1.6
233.06665	2.8
235.08209	4.1
253.09297	1.7
254.66426	1.0
267.08881	1.2
277.09476	1.2
305.08835	1.6
329.12408	5.3
355.08615	3.0
397.13553	19.4
415.14697	13.9
475.18234	22.0
607.22479	98.2
608.22955	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	607.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
59.01401	4.5
71.01371	1.1
73.95638	0.9
75.12804	0.8
78.71404	0.8
81.03471	3.2
83.01385	1.1
99.04530	31.3
101.02451	21.8
125.02452	3.3
153.07671	0.9
158.05171	0.9
190.02797	1.5
205.05138	3.1
214.68954	0.8
223.06122	1.2
283.02472	0.9
285.07751	4.3
285.11139	1.5
297.07770	1.1
298.08505	1.4
311.09109	1.9
313.07144	7.6
313.10696	2.2
314.07834	1.4
319.71988	1.0
325.10690	0.8
328.09546	13.4
329.10333	4.3
341.10187	2.5
343.11859	22.2
344.12381	5.8
356.12704	1.2
358.14233	22.9
359.14981	14.8
371.14963	8.3
424.99210	1.0
433.18362	1.7
463.48611	1.1
475.19757	19.8
515.22888	26.3
516.23114	1.6
545.23907	1.6
553.59546	1.0
607.23987	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74406	0.6
55.01892	1.2
57.03444	2.1
58.00615	0.6
59.01386	42.3
61.97672	0.7
61.98827	1.5
69.03470	7.4
69.06458	4.1
71.01392	25.2
71.05025	1.2
72.99307	0.6
73.02957	4.6
81.03467	1.0
83.01402	2.7
83.05055	1.3
85.02968	5.7
86.00100	0.7
87.00887	5.7
88.98794	1.5
89.02457	23.5
93.03458	0.8
95.01382	2.2
95.08318	0.6
96.96026	1.0
97.02976	3.6
98.21882	1.4
99.00909	1.7
101.02457	19.7
108.54226	0.7
111.00887	1.2
111.04535	1.1
111.08168	1.2
113.02462	12.0
116.92944	0.8
119.03529	6.4
119.05041	1.4
121.10265	1.2
125.02459	7.7
131.03497	1.0
132.13579	0.6
135.04515	0.7
135.08188	0.7
139.03999	0.9
143.03535	4.3
147.11821	0.6
149.04544	0.7
153.09206	2.0
161.04572	4.4
163.11285	1.3
163.43182	0.6
165.09183	1.0
165.12874	6.5
173.09691	0.8
179.05592	5.3
181.12376	8.7
191.10799	14.5
198.02162	1.0
199.06265	0.8
205.38126	0.7
209.11856	100.0
210.12146	2.4
221.06662	2.1
235.08217	8.5
253.09320	2.5
278.89774	0.6
287.07916	1.1
305.08795	2.1
323.09747	1.0
324.60892	0.7
381.09811	2.9
397.13531	64.3
398.13699	1.5
415.14603	35.0
416.15189	1.4
431.13547	1.4
571.27905	0.9
607.26202	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	607.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	22.6
69.12601	37.3
71.01351	8.1
106.24696	7.2
117.03477	8.1
119.05051	19.6
122.03728	10.4
162.40428	8.2
185.99934	13.3
277.05399	100.0
335.48874	7.5
453.54315	10.9
489.23102	9.6
563.34711	8.8
607.21429	10.3
615.32721	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	607.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	86.6
59.12954	4.3
71.01405	30.8
71.05033	14.5
73.02955	24.2
76.81023	4.0
87.04522	45.1
90.60033	4.0
111.04588	4.0
114.07474	5.1
115.04028	76.3
117.05600	64.0
185.62819	4.5
197.08134	6.6
215.09325	5.2
221.25943	4.4
252.68896	5.8
331.19186	15.0
349.20248	100.0
350.21039	5.4
389.50467	4.7
401.23077	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25306	1.1
55.12418	1.2
58.69717	1.3
61.87686	1.1
64.01945	1.2
64.65771	1.2
65.00329	2.8
65.99874	6.8
66.03488	1.9
68.99821	1.5
71.42194	1.5
71.91116	1.2
75.40184	1.1
82.02998	3.1
83.01401	1.7
94.02952	1.6
96.00958	2.1
98.02509	3.0
107.01376	2.0
108.00871	2.1
118.03030	3.9
122.02518	2.1
123.03209	1.1
124.04060	1.7
126.01994	8.1
133.01694	2.8
134.02454	1.5
136.00417	15.6
144.04559	1.5
145.06560	1.7
146.02477	3.4
147.05675	2.7
148.04076	5.0
151.00375	4.3
160.04099	2.0
161.01231	2.7
162.02026	2.8
163.99905	14.2
164.03543	5.6
165.00687	3.7
168.08195	2.4
171.04521	3.9
171.46167	1.2
174.01973	40.5
175.99883	5.5
185.06088	1.4
189.00723	4.2
190.01451	4.7
191.04639	56.6
201.03067	2.4
202.01457	1.6
206.09795	3.1
211.07756	1.4
212.07170	3.6
213.05592	3.6
216.03001	6.1
217.00143	2.1
218.00963	3.2
224.03537	1.3
224.07138	3.4
226.05142	3.1
233.05656	14.5
240.06712	5.3
242.08250	6.0
243.06657	1.3
246.05226	2.0
249.10387	1.2
250.08807	3.2
252.06711	4.2
253.82867	1.2
255.03987	2.1
255.06651	38.2
264.06726	1.5
267.11493	1.5
268.06171	69.7
269.06705	5.6
270.07727	17.1
271.08224	1.5
278.08347	2.0
280.06238	9.4
282.07541	1.5
286.73434	1.2
293.06888	3.1
294.07813	8.8
295.11005	1.8
296.05716	4.0
296.09155	2.9
310.07370	2.0
321.06326	3.6
322.07248	24.2
333.08774	3.4
335.10321	2.7
339.09848	4.0
371.10519	1.8
389.11319	1.5
399.10077	1.8
414.10986	1.7
415.08936	2.5
416.12506	5.6
417.10938	4.2
432.11856	8.2
433.10519	2.2
442.10309	5.7
443.08862	2.6
458.13757	4.1
460.11539	100.0
461.11981	3.6
481.14111	4.6
502.12653	26.9
536.18518	1.9
564.18079	11.0
590.14636	2.3
608.16254	18.8
609.16925	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	608.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	43.5
61.98839	100.0
69.52628	6.3
71.01379	2.3
93.03471	2.0
96.96019	1.4
98.22596	3.2
106.06636	5.8
110.48817	1.6
122.02496	2.1
122.06160	6.8
134.06140	24.7
135.04517	1.8
137.02460	5.6
152.07182	6.0
160.01598	1.5
175.53729	1.4
182.38940	1.4
192.77271	1.3
195.04100	1.5
237.06613	1.7
237.10339	2.6
243.18285	1.5
250.07535	1.4
251.08255	2.1
253.09821	4.5
265.06247	4.5
265.09683	2.8
266.06903	5.3
267.11435	1.8
277.06412	1.5
278.07074	7.1
279.07837	2.5
280.08786	3.1
281.09360	26.7
293.09363	23.1
294.09854	2.0
306.67221	1.5
307.07529	2.1
307.10913	5.2
313.11960	7.1
314.20932	1.5
325.11838	2.9
329.72934	1.6
331.31964	1.7
336.11188	1.5
339.13354	3.5
378.10495	1.4
400.16528	2.9
428.16077	3.5
432.19260	2.4
460.19058	9.6
486.16736	1.7
488.18430	15.4
504.17734	5.1
520.21039	9.6
522.18433	5.0
532.17511	7.9
536.20648	2.1
546.05249	1.4
546.19324	3.4
564.19928	94.9
565.20538	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	608.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.2
63.00162	3.3
66.25539	3.0
71.01400	22.0
71.44051	4.5
73.02954	4.7
78.14085	3.2
83.01398	4.5
83.05038	6.1
85.02960	8.2
85.73755	2.9
87.00888	8.7
89.02448	12.0
93.03445	3.7
96.96032	4.6
101.02453	14.4
113.02471	13.0
117.03481	5.6
119.03505	5.3
125.02463	5.7
149.02501	5.4
150.03236	8.5
160.01540	2.9
161.04581	3.5
165.05603	8.6
175.04167	3.8
177.01952	37.4
192.04320	39.2
195.06615	9.2
207.01208	13.7
207.06648	100.0
208.01620	4.2
209.11861	57.5
210.12177	39.8
213.59352	3.6
235.08240	5.0
285.04190	6.3
326.10818	3.8
355.11600	3.9
371.47217	4.0
382.78577	3.4
397.13574	20.7
398.13956	18.3
399.10684	10.6
415.14618	11.4
416.14877	10.5
435.13965	3.8
481.15793	3.2
593.71600	3.9
609.14563	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	608.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94910	7.5
59.01387	43.7
61.98835	94.6
65.07909	7.8
65.34653	7.9
68.63860	8.1
71.01393	12.9
76.34841	8.8
85.02943	10.4
85.30620	8.6
93.03487	13.8
117.03487	32.3
119.05038	64.5
122.02523	11.1
133.03018	17.5
135.04546	100.0
136.98845	14.7
159.64594	8.1
160.57947	8.2
164.98361	11.3
173.52339	8.5
187.04037	11.0
214.72200	9.9
255.03096	12.5
283.02567	13.0
284.03293	23.3
285.03751	13.4
286.04819	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	608.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15744	11.3
61.98834	52.4
69.07496	100.0
86.09311	12.0
89.10374	13.5
98.22609	32.5
117.03520	15.2
119.05038	31.6
122.02479	90.0
122.12286	15.6
123.06844	14.4
125.65123	13.8
131.07176	14.0
133.94444	13.8
135.04565	61.3
160.65688	11.3
171.69308	13.7
299.06149	14.2
486.21704	21.4
609.24390	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	608.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
78.95915	1.8
80.59980	1.2
168.84045	1.1
192.68230	1.1
193.43314	1.3
265.14749	1.0
311.64450	1.2
532.31061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.0
65.00335	7.5
70.15310	3.4
83.01396	2.9
94.61576	1.8
96.00922	3.5
97.16946	1.9
105.45519	2.3
107.01401	5.9
107.72328	1.9
136.00423	19.9
145.06598	5.1
151.00404	10.1
151.19360	2.1
159.86020	2.0
163.99921	23.2
171.04526	3.9
211.07530	2.2
213.05527	11.6
215.58961	2.0
240.06653	3.0
255.06641	84.6
256.07077	4.4
267.51788	2.2
268.06155	52.5
269.04498	6.7
270.07669	2.9
271.06186	3.4
279.86203	2.3
281.60715	2.2
283.02509	2.5
298.05115	3.5
340.02893	2.9
524.13550	100.0
525.13684	9.7
530.22852	2.7
609.09625	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
57.05490	0.6
58.15783	0.6
59.01154	0.6
59.01388	5.9
61.28092	0.7
61.98837	4.8
65.00322	1.1
65.03931	0.7
66.24830	0.7
67.01875	2.1
68.99828	0.9
69.22858	3.8
69.24943	0.6
71.01379	2.7
73.02955	1.1
76.08106	0.7
79.95753	0.7
80.96513	3.3
83.01392	1.9
85.02953	1.6
89.02413	0.7
91.16145	0.6
92.73494	0.7
93.03470	7.7
95.01425	0.8
95.27937	0.7
101.02457	1.6
109.02967	6.1
111.00882	1.9
117.03484	42.7
118.03796	1.2
119.05041	11.0
120.05359	1.1
133.02945	2.0
135.00908	1.7
135.04532	12.3
136.04823	0.9
137.02487	4.5
139.00409	0.9
141.03371	0.8
143.05022	2.1
145.02962	2.4
147.04556	7.1
149.06171	0.9
157.06647	1.4
159.04523	5.3
160.04968	0.6
161.02467	3.6
161.04701	0.7
161.06110	1.7
163.07602	1.0
164.98499	1.1
172.05434	0.7
173.06036	0.9
175.03975	0.7
183.04515	3.2
185.02440	2.5
185.06155	1.9
187.04053	2.2
187.07648	1.6
189.05600	1.5
191.07236	1.1
200.04788	1.5
201.05597	8.5
203.03522	1.1
211.03900	1.1
211.07617	1.7
211.13408	1.1
213.05669	2.0
213.09256	1.6
215.07106	0.9
224.04843	0.8
225.00856	1.2
225.05513	0.9
227.03523	7.9
227.06956	3.3
229.05064	3.0
229.08685	1.3
237.09238	1.0
239.03502	0.9
239.07306	0.8
241.05127	0.8
253.05072	4.0
255.02997	6.1
257.04562	0.9
257.08200	2.3
265.05057	1.1
273.09280	0.8
279.06461	1.3
281.04684	1.7
281.08194	5.3
283.02579	1.6
295.09473	0.7
303.13864	1.4
305.08258	1.2
307.09732	2.2
309.07776	2.1
323.09256	2.4
335.09195	1.0
347.12994	1.0
349.06921	0.8
351.08496	0.9
351.12323	1.8
357.11407	1.0
375.12497	3.6
401.10306	2.5
429.09512	1.2
443.11456	1.1
447.10864	1.5
491.09192	1.0
493.16495	1.0
537.15588	5.8
563.13202	0.9
567.34009	1.4
604.56708	0.9
609.14124	100.0
609.24335	5.4
610.14471	7.4
633.25055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75774	0.6
55.01875	0.7
59.01385	9.7
65.00325	2.3
67.01885	0.8
68.99826	1.0
69.19790	0.7
70.12828	1.7
70.13166	0.8
71.01387	8.6
72.99306	3.3
73.02941	2.3
75.00876	17.4
75.77416	0.9
83.01372	1.6
85.02959	10.0
87.00878	2.8
89.02454	5.7
95.01400	4.0
99.00890	25.1
101.02473	4.5
108.02172	1.4
111.00893	6.5
113.02464	14.3
119.03518	1.7
123.00880	1.4
124.01673	8.6
129.01962	9.4
136.01648	3.4
136.98853	3.9
138.99335	0.9
139.00388	13.1
143.03520	0.8
152.01151	9.4
157.01463	3.4
157.06604	1.1
161.02440	1.0
161.04544	2.0
161.79259	0.7
166.99898	3.9
167.03528	1.9
171.08229	1.7
173.06122	2.7
175.02458	1.2
179.03551	0.7
179.05591	3.0
181.06598	0.7
185.06094	2.1
193.01344	0.9
199.07713	1.6
209.06154	1.6
221.06694	5.8
225.05551	4.5
227.07196	2.2
243.06635	30.0
244.07074	1.5
253.05043	6.3
271.06137	100.0
272.06412	4.1
279.07254	1.6
285.04041	2.2
337.07736	4.3
385.09488	1.2
609.14325	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	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.2
60.22651	0.7
65.00321	1.8
69.18753	0.6
71.01389	1.9
72.43430	0.7
75.00898	0.8
79.97234	0.8
82.00623	2.0
85.02941	3.7
95.01399	3.0
99.00887	2.0
110.00105	16.6
111.00890	2.9
113.02469	8.0
123.00891	2.7
124.01693	3.5
125.02381	1.0
129.01926	1.1
136.01646	1.7
136.98804	1.9
137.99619	6.7
139.00383	4.5
151.00356	1.1
152.01160	4.2
153.94049	0.6
156.92998	0.7
157.06754	0.9
164.98279	1.1
165.99080	17.1
166.99910	6.0
167.01161	1.1
171.08170	1.2
175.02515	3.1
178.99844	1.6
181.06610	1.4
185.06061	1.2
185.94899	0.8
197.06100	1.2
199.07661	1.0
214.06541	0.8
225.05548	4.3
227.07178	2.0
229.05110	1.6
242.05901	1.4
243.06635	17.5
244.07066	1.1
253.05040	8.5
269.04486	1.2
270.05347	16.2
271.06140	74.3
272.06448	2.7
429.08270	2.6
433.11414	100.0
434.11572	3.8
447.09406	9.0
609.14624	7.6
638.41187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33752	0.6
58.77858	0.6
58.85982	0.7
59.01374	3.3
65.00321	2.4
65.06773	0.5
65.78199	0.6
69.31120	2.7
71.01386	5.7
72.99327	1.2
82.00591	0.7
83.01388	1.4
85.02945	3.2
86.64654	0.5
87.00893	0.9
89.02460	0.9
95.01385	2.6
99.00871	0.8
101.02419	0.8
110.00085	7.1
111.00896	3.4
113.02448	3.3
115.00354	1.4
117.03485	0.6
123.00875	2.3
124.01667	7.3
133.08057	0.7
136.01672	2.2
136.98773	2.8
137.99602	2.7
139.00378	4.9
145.02986	1.5
145.88573	0.7
146.03314	0.9
152.01155	6.9
165.99104	6.3
166.99875	3.7
173.06128	1.4
181.06705	0.8
185.06044	1.2
193.01373	0.9
199.07780	1.1
201.05611	1.1
209.05959	0.8
225.05569	4.4
227.07166	2.1
229.05040	0.9
243.06625	31.0
253.05103	5.8
269.04541	0.8
270.05371	7.2
271.06137	100.0
272.06335	3.3
326.21033	0.6
337.07730	5.7
383.66135	0.7
398.72589	0.6
433.11420	50.7
434.11691	1.6
453.01984	0.7
475.22595	0.7
609.14624	3.4
609.23938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.2
60.52854	1.1
62.84209	1.1
69.33554	5.3
71.01392	2.9
75.00877	1.9
79.70509	1.2
82.00600	1.6
85.02946	3.6
87.00870	1.1
95.01373	2.2
96.96008	1.2
98.21918	2.7
110.00117	10.6
113.02438	2.6
116.44962	1.1
122.00163	1.3
123.00909	2.2
124.01664	3.9
136.01698	2.2
136.98854	1.3
137.99602	3.1
139.00395	3.1
152.01201	3.0
165.99104	11.5
166.99820	3.0
167.03651	1.3
172.58336	1.4
178.99936	1.3
201.97856	1.1
209.61134	1.3
225.05623	3.3
227.07158	3.2
243.06639	19.9
253.05064	4.5
269.04587	1.7
270.05341	13.9
271.06128	75.3
272.06470	3.6
433.11444	100.0
434.11615	5.6
504.33463	1.4
609.14557	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84205	1.1
55.55733	1.0
61.98828	1.6
69.42401	0.9
69.62179	4.2
83.01441	1.1
101.02444	1.3
105.84450	1.2
109.02960	4.6
119.04951	1.4
133.02953	11.7
134.03719	1.4
135.04555	2.9
145.06226	2.9
147.70328	1.0
149.02405	1.8
152.01195	1.3
157.77756	1.1
161.02448	1.6
163.04018	1.6
173.02390	1.0
175.03986	4.6
177.01888	2.0
191.03415	2.0
201.01945	2.1
201.22740	1.1
203.03517	1.8
205.05072	1.8
213.05592	1.7
217.05176	1.2
233.04648	1.6
244.86374	1.1
245.04558	1.7
265.05185	1.3
267.06570	2.0
283.06171	1.9
285.03900	2.9
286.04385	1.2
295.06146	1.3
297.04095	5.6
298.04797	10.2
299.05588	4.1
311.05627	9.1
312.06448	11.8
313.07248	13.7
323.05890	2.6
325.07004	2.2
327.05121	6.9
339.05118	17.7
340.05566	1.6
341.06705	8.0
351.05093	3.0
353.06619	5.8
357.05872	2.3
367.04520	1.9
369.06161	59.2
370.06454	1.6
371.07309	1.3
381.06204	6.8
397.05765	2.1
399.07199	39.6
399.12500	2.2
405.15463	3.2
411.07059	4.8
413.08871	1.7
415.43640	1.2
429.08270	9.0
447.11063	1.4
471.09518	4.0
471.65976	1.1
489.10477	51.8
490.10635	1.4
501.10193	1.1
519.11475	16.0
531.11700	1.4
591.13867	2.3
609.14642	100.0
610.14624	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	609.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92501	0.2
52.85816	0.2
56.81998	0.2
59.01384	0.9
63.02417	0.7
65.00333	1.4
71.01387	0.7
73.02965	0.2
74.68307	0.2
75.00896	0.3
77.90135	0.2
83.01405	0.7
85.02975	0.3
95.01418	0.2
96.96057	0.5
99.00880	0.3
101.02457	0.5
107.01412	2.3
108.02178	0.3
109.02973	0.9
113.02442	0.4
121.02950	1.4
128.03517	0.4
133.02971	10.1
135.04587	0.3
143.04694	0.3
149.02449	2.8
151.00395	5.9
152.77477	0.2
153.10411	0.3
155.20506	0.3
157.08714	0.5
163.03856	0.3
169.01350	0.3
171.04547	0.4
173.04454	0.3
175.04036	3.5
177.01927	0.3
179.06963	0.4
181.05145	0.2
181.06783	0.2
185.06100	0.6
189.05780	0.3
197.06174	0.6
198.03218	0.4
199.04015	2.9
201.02032	1.2
205.02951	0.3
211.03925	0.4
213.05565	0.8
215.03471	0.3
217.05078	2.1
223.03957	0.6
223.11378	0.3
229.05113	0.3
241.05075	1.9
243.03020	0.7
255.02977	0.3
256.03812	0.4
257.04535	0.6
257.30069	0.2
267.03088	0.5
281.04327	0.3
283.02356	0.5
284.03351	2.9
285.04074	100.0
286.04404	2.8
306.07715	0.5
327.05170	0.6
450.47827	0.2
609.14636	47.1
610.14838	2.8
617.57239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	5.7
63.98346	0.8
69.03436	1.5
69.05830	4.9
71.01375	2.7
72.99321	0.8
73.02946	0.9
81.00998	0.7
83.01389	1.1
87.00900	1.0
89.02438	2.3
95.01382	1.8
96.96030	1.1
97.02955	1.2
101.02429	2.1
101.94327	0.8
113.02438	2.1
116.92841	1.9
117.03478	1.5
122.03777	0.7
123.00906	11.2
124.01678	29.6
125.02470	14.6
134.03772	10.7
135.04533	1.5
137.02388	1.3
149.02399	1.0
149.06017	1.2
149.99602	48.7
150.03238	2.8
151.00212	1.0
160.01697	4.6
165.05630	4.2
166.99812	0.9
168.00659	94.4
169.01456	5.2
175.03989	6.8
178.02782	1.0
179.03484	2.1
193.05054	6.2
195.06602	2.4
198.07281	0.7
209.11838	2.9
210.12173	1.8
285.03973	3.0
301.05637	3.2
321.36951	0.8
361.16861	1.4
413.14572	5.7
415.08914	1.5
433.10083	4.3
609.14618	100.0
610.15045	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	84.5
65.00307	2.4
69.39078	5.4
73.02959	13.1
85.02937	4.5
89.02447	1.9
93.03410	1.7
96.96030	3.2
101.02425	3.3
103.04026	2.5
108.02084	1.2
110.00109	6.3
113.02464	3.0
117.03482	3.5
119.05025	3.5
134.03780	1.8
136.98781	1.9
150.03226	2.5
151.88179	1.3
159.04491	1.4
160.01633	3.0
161.04584	2.8
163.00360	1.6
165.05533	2.6
165.99068	4.0
168.00653	1.5
172.63268	1.5
175.04002	4.0
185.06073	1.4
195.06665	1.8
200.04784	3.5
211.04004	3.2
213.05508	2.2
227.03493	2.2
239.03424	3.9
255.02905	2.3
256.03732	1.3
283.02454	5.3
284.00198	2.4
284.03284	50.0
285.04065	85.7
286.04385	2.1
305.03070	1.3
306.42755	1.7
327.08743	2.2
339.08627	1.9
342.10931	3.3
355.11404	1.5
357.13562	10.9
361.16748	1.9
361.42163	1.3
369.13522	12.3
383.07574	1.8
399.10855	3.3
413.14557	6.8
443.09613	8.6
479.07315	3.5
499.12167	1.8
519.31915	1.4
537.07513	1.6
609.14429	100.0
610.14954	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	609.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50699	0.6
53.34042	0.6
59.01379	1.4
61.98830	1.3
65.00334	1.2
72.99339	0.7
78.95909	0.7
81.03414	0.6
85.02989	0.7
89.02480	0.7
101.02496	1.0
110.00135	2.0
117.03501	1.1
124.05050	0.6
136.98859	3.2
139.00328	0.8
161.02432	0.8
164.98315	1.2
165.99107	4.0
171.04625	0.7
182.72881	0.7
185.06114	1.1
193.03572	0.7
195.04462	1.1
195.06323	0.6
200.04805	1.3
209.11835	1.1
211.03993	2.4
212.04787	0.9
213.05620	1.8
215.23033	0.7
227.03531	2.2
239.03549	3.8
241.05069	1.2
255.03012	9.3
256.03735	0.9
267.03012	1.5
269.04376	0.7
283.02527	14.6
283.05789	1.1
284.03296	53.6
285.04071	77.7
286.04431	3.0
297.04153	1.3
331.30414	0.7
447.09375	100.0
448.09622	5.1
489.10690	0.9
571.55994	0.8
609.14722	20.3
609.24530	1.1
610.15149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	8.0
62.59678	4.2
65.00325	12.9
65.99856	6.6
68.99834	5.0
71.59486	3.9
74.99120	5.4
95.01366	8.8
97.02941	6.8
110.00085	5.8
111.00893	12.7
119.05051	20.6
120.00903	3.9
121.02913	5.1
122.02407	4.2
134.02489	5.4
136.00374	10.2
137.02438	5.3
138.02063	4.6
139.00359	9.6
145.02937	6.6
151.00375	16.8
157.06451	4.0
163.99924	10.6
165.00699	4.6
165.01941	7.3
171.04501	13.3
175.99896	7.7
177.01964	6.5
190.01471	7.1
220.07726	4.5
230.01038	6.2
242.08186	15.2
252.06613	5.0
253.05009	5.8
255.06689	21.4
266.08008	4.3
268.06201	24.4
270.05359	5.0
270.07819	29.2
271.06094	14.4
280.06128	10.7
285.07623	8.0
294.07684	10.7
296.05603	13.5
296.08887	4.6
310.07303	6.9
320.05740	7.5
321.06216	5.8
322.07175	32.4
338.06430	10.8
350.55783	4.4
378.08572	5.1
382.14758	6.0
384.64954	4.4
396.12411	5.4
421.10342	6.0
450.13416	30.5
454.13358	6.6
504.14920	4.7
521.17603	4.9
522.11975	60.1
529.14343	22.9
530.82971	4.0
566.14551	26.8
591.14026	8.8
609.15076	100.0
610.15833	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.60514	6.0
70.60837	7.4
71.01398	12.4
73.98302	5.2
74.99100	23.7
75.43774	4.5
80.05049	5.8
87.00879	7.3
96.95991	11.3
99.35386	4.5
108.04556	6.5
113.02488	9.4
115.69336	4.8
117.03484	6.2
119.05040	20.1
119.99235	5.0
128.90170	5.1
134.03732	7.4
135.04544	5.8
135.08208	32.8
145.02988	26.5
146.03299	7.2
161.02394	5.7
162.03209	19.1
163.04077	6.5
165.05492	7.1
177.05637	27.2
190.02730	6.4
285.04080	10.3
301.03491	8.7
328.13293	9.9
361.16525	73.3
417.20428	6.9
463.17474	10.4
475.24561	18.5
501.83881	4.9
505.20633	24.3
506.20798	6.4
523.21069	5.0
549.22784	6.8
609.25555	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52632	14.0
97.02956	62.3
117.03455	26.6
121.02969	100.0
207.21201	16.4
609.25043	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	609.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03247	2.6
55.48009	2.6
59.01384	100.0
74.52251	3.2
76.64154	3.0
80.57246	3.2
80.86471	3.0
84.10812	3.1
95.05016	10.8
103.01506	77.9
136.56010	2.9
191.72639	3.0
232.88374	2.8
246.12341	8.6
278.11505	19.1
293.21317	34.6
315.19452	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	609.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
65.16537	5.9
103.01509	92.4
105.59295	6.6
114.96956	5.4
216.18018	7.4
459.57303	6.6
482.76474	7.3
526.16718	7.4
617.31232	6.5
632.03302	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	609.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
64.02740	4.6
69.14473	31.8
70.88476	5.0
73.81548	4.2
78.95929	6.5
88.98827	9.3
94.22890	4.7
103.01508	74.6
114.33241	5.0
298.04788	5.0
331.93231	5.0
334.08737	5.2
445.46323	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	609.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.30983	3.9
70.70364	4.4
71.30967	6.3
71.40061	4.3
97.54926	4.3
103.01509	54.2
111.75356	5.6
119.05019	8.9
139.47388	4.2
147.99506	4.4
300.02646	12.9
571.48071	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	609.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38798	4.8
59.01384	100.0
69.30414	18.6
98.22668	8.1
113.36012	5.9
115.04027	60.4
116.38320	4.8
119.05153	5.6
121.02954	36.8
131.41107	5.3
135.24342	5.0
148.77428	4.8
549.25055	9.3
551.30945	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	609.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.08984	3.4
71.01390	50.3
73.02940	6.4
73.19392	3.1
73.34724	3.7
85.02969	11.2
89.02460	66.3
95.01392	5.6
96.95992	3.4
101.02435	23.8
113.02481	16.4
117.03505	6.4
119.03519	24.3
125.02570	4.5
128.03592	8.5
135.00909	3.4
143.03528	5.3
161.04573	15.6
179.05670	30.4
207.13911	13.6
217.69553	3.6
255.03093	8.5
260.82437	3.7
283.02484	27.3
284.03134	10.8
285.04147	27.8
287.40695	3.7
306.07803	6.4
307.07962	4.7
549.25793	14.1
609.14691	49.5
609.27246	17.8
610.15094	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	609.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
59.01386	100.0
60.01721	0.5
61.98838	2.2
68.07816	0.5
69.50316	1.3
69.50706	0.8
70.30367	0.6
71.01390	32.7
72.99329	0.7
73.02958	8.2
74.48118	0.6
77.13680	0.6
83.01403	2.3
85.02959	9.2
87.00909	1.3
89.02453	30.1
95.01397	2.7
98.22655	1.1
99.00851	1.2
101.02454	18.3
113.02464	27.7
117.03510	1.1
119.03517	10.9
119.04992	3.8
125.02407	0.7
131.03531	1.6
135.04523	3.3
137.02417	1.1
143.03476	2.9
145.03050	0.9
149.04594	0.7
158.00072	0.6
161.04581	5.8
176.39915	0.6
179.05627	3.6
188.04282	0.6
266.84122	0.7
387.28836	1.1
405.29874	0.6
549.34631	1.8
567.35925	1.4
617.59473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91509	1.4
52.26820	1.5
59.01390	8.9
95.05062	2.3
103.01505	6.1
103.36108	1.6
121.10255	22.3
122.02496	3.8
127.11311	1.7
133.32164	1.5
171.10286	68.6
207.10112	1.8
231.21205	7.0
246.12418	1.7
275.20178	89.4
276.20557	3.6
278.11377	9.0
284.03226	2.0
293.21249	100.0
294.21570	2.7
297.18497	4.0
315.19446	52.9
316.19720	2.7
329.55981	1.5
359.18436	4.6
379.36465	1.7
604.91321	1.9
609.41333	96.5
610.41559	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	610.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
60.48689	0.7
64.16557	0.8
64.25434	0.8
65.00330	11.9
68.99812	0.9
71.09235	0.8
75.64064	0.8
83.01386	0.9
92.61240	0.8
92.99836	2.8
94.06650	2.7
95.01392	1.9
96.99323	3.8
98.22697	1.9
104.02691	0.9
108.02202	0.9
110.00085	1.0
110.06132	2.5
111.00906	3.9
120.99310	2.1
123.00858	1.8
124.01692	9.1
134.06131	24.8
136.01665	2.1
136.98827	12.5
139.00397	5.3
145.06635	1.3
149.02449	0.9
149.99596	1.2
152.01163	6.2
162.05623	3.7
164.98303	23.6
165.99091	2.1
166.05069	5.5
166.99866	3.2
169.06615	1.2
171.04489	2.0
171.08121	1.3
173.06091	4.9
177.01942	1.0
177.47122	1.0
177.99075	1.9
178.05203	0.9
181.06599	1.3
185.06129	2.0
190.05132	2.6
197.06065	3.6
199.04062	2.2
199.07719	1.7
201.05617	1.2
206.04597	15.4
209.06137	1.0
213.05626	2.5
225.05626	5.2
227.07181	1.9
229.05151	1.6
234.04094	25.9
241.05115	4.2
243.06628	25.9
247.04800	1.2
253.05122	5.4
268.09930	1.8
269.04565	82.5
270.05087	4.1
271.06134	70.4
272.06485	3.0
293.04440	1.0
294.11310	2.5
297.04141	2.8
299.05582	13.1
307.06125	1.0
308.07086	1.4
310.10883	2.8
315.05087	3.2
315.19589	1.2
325.03543	3.5
327.05093	4.6
338.10370	100.0
339.10587	5.2
421.22031	0.9
458.23926	0.9
479.11301	1.9
495.10895	2.1
497.12463	3.5
523.10376	3.3
541.11243	1.9
547.15576	0.8
548.16742	1.1
566.17737	1.4
582.17584	1.5
592.15881	3.2
609.32080	1.0
610.16980	1.2
610.31464	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	610.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26013	2.3
59.01383	51.2
61.98840	3.2
69.41537	8.1
71.01389	9.0
73.02971	2.6
78.95857	2.8
95.01432	2.8
98.22625	4.3
106.06705	3.6
113.02467	3.4
122.06160	4.9
132.04568	6.3
134.06111	29.6
140.51859	2.2
152.07184	3.7
153.40407	2.2
160.04053	3.3
190.05151	4.6
211.13484	4.7
212.13687	2.7
220.37454	2.4
235.08926	3.3
239.11929	9.9
249.10492	4.3
250.11229	3.1
251.11958	3.8
253.06258	3.8
263.08328	3.0
267.07751	3.6
277.09869	5.7
278.10635	3.8
280.08728	2.6
283.10938	31.8
295.10898	8.5
305.09393	3.4
306.10220	5.6
309.12408	5.4
322.81323	2.6
388.41599	2.9
397.13989	2.9
430.17798	25.0
448.18219	2.5
473.20575	2.5
478.92065	2.6
490.19879	32.6
506.19193	2.9
534.18835	100.0
535.18884	6.3
566.21545	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	610.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	34.3
96.96048	2.6
106.06621	5.8
109.03684	1.9
122.06155	6.3
126.41159	1.7
132.04561	4.8
134.06139	38.5
152.07175	3.8
158.02454	3.5
160.04102	1.9
172.03960	2.4
186.66167	1.8
190.03517	2.3
190.05048	12.3
204.06615	2.8
211.13353	2.2
215.12000	3.4
224.09648	2.9
235.08609	2.3
239.11955	8.3
240.10403	2.4
241.09807	2.1
249.10379	4.1
250.11024	3.1
251.11868	6.6
252.10121	1.8
253.06172	2.3
267.07837	2.7
268.08673	2.2
277.09897	4.4
278.10593	3.0
279.08148	2.1
279.11346	6.3
280.08594	2.9
281.09241	2.2
283.10898	30.0
294.10184	2.7
295.10898	9.9
305.09277	2.0
306.10126	4.2
307.73010	1.9
309.08887	4.5
309.12344	3.8
318.44644	1.9
323.10403	3.1
337.11954	4.3
402.18478	3.6
428.16769	2.1
430.17700	22.9
440.22247	2.0
448.17865	2.6
462.20319	6.3
474.16571	4.7
490.19922	38.1
506.19418	4.5
522.22455	4.9
534.18884	100.0
535.19275	4.4
566.21503	47.7
567.21997	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	610.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55572	12.9
54.63670	14.8
61.98829	14.9
64.53214	16.1
67.10435	15.1
69.07954	100.0
88.98792	24.9
133.43604	14.3
196.07993	14.6
257.41043	17.2
276.83441	19.5
396.71967	17.4
401.30344	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	87.1
61.98833	40.9
70.96438	47.0
83.17503	23.4
119.05018	23.0
135.04504	29.0
179.20143	24.7
182.49004	21.2
187.24994	22.6
204.81589	25.3
284.03452	66.0
300.02808	100.0
301.03250	82.8
375.34158	31.8
382.72427	26.5
535.95947	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	610.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	29.0
71.43742	19.1
79.33041	15.3
93.03466	84.2
93.82905	14.1
97.06593	18.0
122.02470	100.0
124.17863	13.4
127.44750	16.4
132.33084	14.5
135.63315	12.2
137.02451	62.5
142.69707	15.3
156.81584	16.2
179.42645	16.4
199.03845	14.6
255.50732	14.2
393.20602	54.9
538.22162	90.8
560.16455	14.3
610.20624	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	610.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.7
61.98825	1.1
78.03493	1.9
78.91893	3.0
80.91693	32.9
83.05059	1.2
85.02959	3.0
109.06602	1.2
113.02472	0.9
119.05029	2.0
121.91000	0.8
122.02501	100.0
123.02856	1.1
135.04530	2.7
135.08202	1.1
136.04039	6.9
150.05638	3.0
163.53285	0.8
217.16023	1.3
222.25792	0.8
223.01053	1.2
224.26677	0.7
261.15015	1.6
273.18683	2.0
289.14450	15.8
301.18192	1.0
345.17145	9.1
367.14880	1.4
421.15015	0.8
449.63474	0.8
461.86014	0.8
468.20322	46.3
469.20779	2.1
490.18539	13.3
508.19009	0.9
528.22003	1.1
550.19556	9.5
588.55725	0.8
605.75854	1.0
610.23108	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	66.2
61.98846	11.2
62.76556	1.9
65.48289	1.7
69.23723	12.4
70.02972	3.6
71.01368	3.4
72.97542	8.0
73.98319	24.4
78.25333	2.1
82.03006	6.6
83.01357	2.1
83.05033	4.3
84.02177	5.2
85.02944	3.0
86.02500	4.3
87.02753	3.5
89.00677	88.6
96.04587	4.0
96.96040	2.5
98.02480	14.2
98.21922	5.0
109.02927	2.8
115.02249	100.0
117.03460	4.9
119.05046	8.8
126.05653	11.3
135.04564	14.7
146.49898	2.0
170.03149	4.6
170.04614	86.4
233.09995	3.3
260.06058	4.8
284.82770	2.1
289.14520	17.5
324.86087	2.2
343.13733	27.0
361.14798	50.5
379.15863	51.2
439.17932	8.2
532.20166	6.9
550.21283	30.4
610.23193	33.5
610.31433	1.2
635.73285	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	610.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17297	1.2
59.01386	2.5
61.98835	100.0
62.50476	1.1
69.25629	7.7
72.75706	1.1
86.21844	1.1
103.81067	1.1
103.92030	1.4
117.05603	8.2
122.02491	31.1
131.54887	1.3
131.92447	1.3
141.05598	1.7
159.06599	2.2
162.52614	1.3
188.94081	1.2
265.84088	1.2
286.79565	1.4
346.40570	1.2
465.58878	1.4
610.26135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25484	1.0
61.98835	100.0
64.35294	1.1
72.63236	1.2
96.14212	0.9
114.86473	1.0
127.16093	1.2
140.62796	1.0
152.19707	1.0
172.49203	1.1
175.26738	1.4
212.64308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65304	7.3
59.01382	57.9
61.98831	41.1
69.85778	17.1
69.86127	13.6
74.21959	7.1
93.03477	17.1
115.04014	54.7
117.03480	44.2
119.05025	10.9
121.10234	9.7
122.02495	100.0
130.40694	7.7
135.04514	7.2
139.69449	7.7
161.02379	9.4
171.10295	28.0
217.04788	9.5
233.40836	9.0
253.05205	11.7
275.20157	44.9
276.20587	16.0
293.21161	50.1
294.21582	22.6
315.19427	25.6
316.19495	10.9
550.24585	9.5
580.28937	8.5
584.27179	9.0
609.41296	22.7
610.41388	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	610.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.1
69.27551	0.3
69.27954	1.0
71.05031	2.2
75.46523	0.2
78.03482	2.4
89.02477	0.4
99.04521	2.7
113.06122	0.3
117.05589	26.3
122.02491	100.0
123.02827	0.8
131.49976	0.2
134.37053	0.3
136.04108	0.3
141.05589	6.7
147.08160	0.4
149.21826	0.2
159.06641	8.5
178.08763	0.4
213.16533	1.3
222.07745	0.4
255.17528	3.9
283.17181	0.3
327.15924	0.5
350.17709	0.6
422.19760	0.6
450.19107	1.4
567.04999	0.3
610.26617	4.8
611.26569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	83.9
66.54116	3.4
70.56191	8.8
82.44254	3.4
89.27265	3.8
114.40913	4.5
115.04028	96.8
119.05032	6.2
122.02509	100.0
136.03978	4.5
206.02654	4.0
471.34207	3.9
550.24304	10.6
592.46527	4.6
596.32593	4.0
610.27075	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	610.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64289	5.6
59.01389	78.7
61.98835	38.8
70.02499	13.3
70.02838	9.4
82.13503	6.6
98.22532	8.4
115.04031	100.0
119.05037	16.1
122.02497	81.3
144.07088	5.8
436.07126	6.9
442.52667	6.7
622.06226	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	610.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.2
60.26630	0.6
61.37706	0.7
61.98836	100.0
69.42844	3.5
73.65845	0.7
92.93970	0.8
115.04026	1.3
119.05043	1.3
122.02540	1.5
136.68475	0.7
177.40057	0.6
201.73613	0.8
264.70145	0.6
269.26767	0.7
369.43851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28839	84.1
71.36611	29.7
81.68705	30.9
96.96016	49.7
99.60501	30.0
103.85788	33.1
106.91275	29.7
110.94617	30.8
269.04498	100.0
270.04797	59.2
271.05994	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81256	0.3
55.29413	0.4
55.40208	0.5
63.44484	0.3
65.00034	0.4
65.00346	1.6
68.99844	0.5
82.00631	1.5
85.02978	0.4
91.01916	1.1
99.54494	0.4
102.93591	0.4
107.01364	0.4
108.02197	0.9
110.00105	14.9
117.03498	1.7
119.05028	3.5
123.00922	0.5
123.04512	2.0
124.98865	0.4
125.02502	0.5
136.98790	0.7
137.02481	0.5
137.99608	7.7
140.01181	0.5
144.36162	0.4
151.00366	0.9
151.59998	0.4
152.01186	1.4
153.01941	2.7
161.02449	4.2
164.01166	0.6
164.98305	1.2
165.99094	13.0
167.03519	4.7
181.01474	1.4
183.04559	0.7
185.02473	0.8
187.03963	0.5
188.04912	0.4
189.13251	0.5
200.04709	0.6
211.04008	0.8
212.04779	2.9
214.02698	1.3
227.03557	1.0
228.04250	0.6
239.03609	0.8
240.04288	1.3
241.05016	0.5
242.02292	0.6
255.02988	1.5
267.02933	1.4
269.04556	0.7
283.02435	4.2
284.03284	57.9
285.03799	2.3
285.27591	0.4
297.06281	0.8
298.04852	0.9
299.05621	100.0
300.05963	2.9
311.07739	2.8
341.06494	0.7
443.09857	0.8
461.11099	1.9
611.14093	11.7
612.14246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90044	3.9
53.98523	4.8
59.01386	96.5
61.98830	9.6
65.00314	9.3
70.54131	7.8
71.01382	8.4
73.02961	5.9
73.20585	4.1
74.51196	3.9
83.01398	4.7
93.03448	13.8
97.02939	6.1
99.00903	6.5
99.78712	4.7
101.02438	11.6
109.02928	8.2
117.03479	51.1
117.73389	4.2
119.05045	89.8
135.04544	18.6
137.02419	6.7
143.04955	6.1
145.02979	12.8
147.03497	6.7
147.04538	58.8
159.04573	9.1
161.02432	13.0
161.06046	7.3
163.07573	9.1
165.05630	5.1
183.04567	6.5
185.02454	6.9
187.03961	9.0
187.07549	10.9
201.05579	13.9
207.06664	10.5
215.07104	6.5
227.03610	9.2
229.04970	6.8
239.03587	7.4
253.05070	5.8
255.03110	12.5
257.08224	10.0
279.06534	4.9
281.04565	5.2
283.02441	17.6
307.09805	7.7
335.09167	6.9
349.10721	6.6
363.08768	5.5
403.11890	6.7
491.10229	6.6
517.68176	4.9
539.16901	8.6
611.15588	100.0
612.15680	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	611.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	31.6
61.98827	4.4
65.00313	3.8
65.03992	1.2
67.01894	2.6
71.01380	6.6
73.02954	3.6
76.56306	1.1
76.97998	1.7
83.01379	3.6
85.02951	1.8
87.00883	1.4
92.99837	1.7
93.03478	6.2
101.02441	6.0
107.01427	2.0
109.02943	2.9
111.00891	2.3
113.02462	2.2
117.03475	43.9
119.05041	64.2
120.05337	1.5
121.02965	2.1
123.04565	1.8
125.02463	1.6
133.02989	2.7
134.03769	1.5
135.00873	3.2
135.04521	7.5
136.98827	4.0
137.02470	2.7
137.06081	4.6
139.03995	2.7
143.05031	3.1
145.02957	10.1
147.04543	54.8
148.04849	2.3
151.03987	2.1
156.94321	1.1
158.03737	1.9
159.04517	6.3
161.02493	9.8
161.04674	1.6
161.06104	4.7
163.04051	2.5
163.07671	4.2
165.05589	1.8
173.06123	6.0
175.04060	2.6
177.05621	1.6
183.04530	4.8
185.02498	3.1
185.06091	1.4
187.03993	4.7
187.07655	10.4
188.04726	1.6
189.05559	2.3
189.09277	1.6
191.07167	3.0
199.03912	1.7
200.04701	1.4
201.05571	13.6
203.07141	4.2
207.06654	6.4
211.07516	1.3
213.05592	3.5
215.07048	7.2
217.04968	2.1
227.03491	8.6
229.05060	3.8
231.06731	2.0
237.05573	2.6
239.03296	2.8
239.07187	2.1
239.10938	1.6
243.06740	2.0
253.05092	3.9
255.03052	9.0
257.04596	4.2
257.08261	3.8
259.09705	1.9
269.04529	1.8
279.06650	5.9
281.04642	2.9
281.08078	2.2
283.02542	14.2
285.07645	2.3
307.06348	2.6
307.09851	6.2
335.09155	4.2
337.10791	4.4
349.10825	7.2
361.10684	1.9
363.08899	2.4
377.10056	2.0
379.11868	1.4
401.10223	2.0
403.11960	3.1
405.09634	1.6
419.11319	5.5
447.10614	3.1
491.09998	5.3
531.12805	5.3
533.12775	5.1
539.16998	5.8
575.13458	2.0
593.14954	1.5
611.15594	100.0
611.25757	3.2
612.16083	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	611.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83973	3.2
51.48347	2.6
52.86244	2.4
55.01862	4.6
57.01986	2.6
59.01371	8.7
61.98855	3.2
65.03948	3.8
67.01891	3.5
68.70840	2.8
68.99813	2.8
69.03442	8.3
69.31113	15.4
71.01380	8.7
73.02930	5.4
75.00883	6.0
79.98667	2.6
81.03460	20.5
83.01378	17.6
85.02956	9.7
87.00909	3.9
93.03446	11.0
93.03967	2.6
95.01395	4.6
95.05015	4.9
97.02958	19.2
99.00842	2.8
99.04499	3.4
101.02447	11.0
102.39783	2.6
105.03445	6.6
107.05048	4.6
108.02174	6.0
109.02964	28.9
111.00878	41.4
111.04520	12.0
113.02457	5.1
119.05027	6.9
121.02961	15.9
123.00871	5.2
123.04524	19.0
124.01630	3.0
125.02451	50.5
127.04052	3.9
129.01944	7.9
133.02939	5.2
135.04494	9.9
137.02454	46.5
137.05991	2.9
139.00357	3.5
139.04022	23.1
140.01143	3.2
141.01945	7.6
149.02440	16.3
151.04013	21.0
153.01945	59.4
154.02669	8.4
155.03481	4.9
163.00389	3.3
163.03995	7.3
165.01941	10.4
167.03502	25.5
177.01915	7.4
179.03499	26.5
179.40460	2.5
181.04987	4.3
182.02182	5.3
183.02997	18.4
193.05081	6.1
195.02985	28.5
197.04539	5.7
205.01443	5.0
205.05058	3.9
207.03006	7.8
207.05109	17.2
209.04546	28.2
213.04158	3.1
221.04558	4.4
221.06577	4.4
222.55911	2.9
235.49614	3.0
239.05634	21.4
257.06793	17.4
261.06161	20.2
267.04984	3.5
269.06616	7.1
273.06064	4.0
283.06158	4.3
283.33060	2.7
285.06030	7.7
295.06125	3.1
303.07303	32.5
327.07306	12.6
329.08899	2.8
345.08246	77.0
346.08099	3.4
371.07721	11.0
401.08682	7.9
403.10376	23.7
423.11456	13.4
440.07202	2.8
465.12515	77.1
466.12485	3.7
473.11127	9.3
491.12048	22.8
593.15125	7.3
611.16235	100.0
612.16687	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	611.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36769	0.7
65.00326	2.7
65.99838	2.1
69.11280	5.5
82.02974	0.8
87.51038	0.7
104.05103	1.1
106.65750	0.8
107.00193	0.9
116.64066	0.7
118.72988	0.9
120.00934	1.2
121.01715	1.5
122.00089	0.8
123.04493	0.9
140.07181	1.2
143.05000	0.9
148.04033	3.0
156.08195	4.0
165.00679	5.6
171.04599	2.7
173.06090	1.2
180.08171	4.1
182.09593	0.9
184.07669	1.9
189.66457	0.7
190.01465	3.2
198.09325	1.7
200.75642	0.7
203.02274	1.3
206.09755	1.8
208.07742	0.8
216.02995	1.5
222.09338	1.4
224.07164	1.9
226.08759	5.9
242.08226	1.2
250.08752	5.8
252.06725	2.3
254.05902	1.1
262.08817	0.8
267.05521	1.0
268.06125	0.8
268.25253	0.7
269.07043	3.1
270.07648	4.4
278.04755	1.2
280.06595	0.7
290.74017	0.8
292.06250	0.9
294.07755	8.0
307.08597	1.7
312.14026	1.3
330.14706	0.9
354.15030	0.9
356.13019	1.0
380.13422	0.9
382.10889	4.3
398.14001	100.0
399.14255	7.3
422.14212	0.8
505.17612	2.0
510.11923	1.3
523.18768	40.5
524.19080	3.4
549.17358	1.1
594.14026	3.3
611.16302	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	611.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
65.00327	4.0
65.99863	1.4
66.18457	1.2
69.73138	4.3
72.04544	2.2
78.95913	3.5
81.03466	3.7
82.02987	2.2
91.01852	1.1
92.63926	0.9
95.01395	1.3
98.02489	8.2
106.03053	2.5
111.00938	1.4
116.03517	1.5
119.05049	1.6
120.00944	3.2
121.06611	1.3
123.03246	1.7
124.04050	6.1
130.03024	1.7
134.02486	1.1
135.00807	1.0
136.00415	4.9
136.98819	2.8
142.03000	1.5
143.05038	1.5
145.06595	8.7
146.02496	2.0
149.02489	1.5
150.02034	4.9
152.99605	4.1
154.74399	1.0
163.99915	2.8
164.98305	2.2
168.03008	1.1
170.02516	1.3
171.03241	1.1
171.04485	5.2
174.01996	5.6
175.99944	1.1
187.07661	1.8
191.99364	2.5
192.03107	2.5
198.02057	2.6
214.01378	1.3
218.01089	5.9
223.00058	1.9
225.05544	2.0
236.07268	2.3
237.09288	2.3
240.06726	2.5
241.05084	4.2
242.00996	4.5
242.08231	12.5
268.06235	5.9
268.08932	1.1
269.04520	12.3
270.07755	35.8
270.11322	13.2
271.05936	2.3
275.07144	1.5
278.08188	10.1
280.06174	1.4
285.99872	2.9
296.05713	45.6
296.09232	6.9
297.05957	1.5
302.08127	1.1
314.10303	11.1
322.07065	1.7
341.06314	1.3
346.07120	3.7
390.06213	61.3
391.06519	3.6
435.13742	3.1
494.12491	100.0
495.12894	6.0
518.74738	1.1
538.97229	1.3
567.17621	4.6
611.16699	11.4
611.28296	3.1
612.16602	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	611.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63877	0.5
56.28352	0.5
56.56161	0.5
58.68959	0.5
59.01365	0.8
59.37260	0.6
65.00300	0.7
65.20232	0.6
65.99854	2.5
68.99854	0.6
69.34533	3.0
81.20473	0.6
82.02991	0.8
93.03446	1.2
96.00905	0.8
98.02479	1.3
99.33809	0.7
109.02964	1.0
110.02489	5.6
117.03455	1.3
120.00917	4.5
121.02940	0.8
122.02519	1.3
123.03266	4.3
124.00436	1.2
124.04052	1.3
131.05017	1.6
134.02470	4.4
135.03291	5.0
136.00444	4.9
136.04076	0.8
137.02342	0.6
138.01979	4.5
143.05022	0.8
145.73831	0.6
148.04048	1.3
148.98822	0.7
149.06075	1.2
151.02774	4.1
152.03532	1.9
157.06584	1.0
158.57639	0.5
161.06085	3.1
162.01970	0.7
163.02744	0.8
163.99947	4.3
164.03557	0.8
164.98341	0.6
166.01549	2.4
169.06503	0.8
171.04550	1.9
173.06052	0.8
175.99858	0.8
177.00674	2.0
178.01466	1.0
181.06531	0.9
184.07646	0.6
188.04839	2.2
189.05545	4.2
190.01361	1.1
191.99400	6.2
192.02982	4.2
197.06264	0.8
199.07672	0.7
200.07266	0.9
201.05597	1.0
209.05856	0.7
218.00945	2.6
224.07333	1.0
225.05522	1.2
225.09258	1.8
226.05197	1.3
226.08763	1.9
228.06650	1.4
233.51117	0.7
240.06642	3.2
242.08247	37.5
243.08571	1.5
250.08934	1.2
252.06743	1.5
253.08676	1.0
254.04665	1.9
268.06158	14.3
268.09509	1.5
269.04395	1.3
270.07724	66.3
271.08176	2.2
280.06189	3.2
286.10907	2.6
296.05661	100.0
297.05869	4.2
298.07291	4.2
312.08679	1.3
322.07550	1.5
324.05151	44.0
324.08545	2.7
325.05545	3.3
340.08240	23.0
341.07834	18.6
342.08139	0.7
397.10236	1.0
405.11044	0.8
407.08817	1.5
421.10391	0.9
540.17065	1.1
593.15656	6.6
594.15533	1.2
611.16718	13.8
611.26105	1.2
612.16754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	0.8
58.27364	0.7
59.01376	1.8
65.00315	2.7
65.99838	2.4
69.38757	2.1
69.39168	1.2
69.93587	0.7
71.01379	0.8
81.03450	1.7
82.02995	1.0
90.11887	0.6
92.43323	0.7
93.03479	1.1
95.01372	1.0
96.00942	0.9
98.02481	2.2
100.30152	0.6
108.04552	0.8
109.02953	2.3
110.02477	5.8
111.00896	1.9
111.04556	1.1
117.03498	1.4
119.05032	1.8
120.00880	4.6
121.02958	0.9
122.02477	1.6
123.03284	2.4
123.04607	0.8
124.00404	0.9
124.04048	1.2
131.05034	2.5
133.06586	0.9
134.02496	3.2
135.03296	4.5
136.00427	4.6
136.04073	1.5
136.98785	1.3
138.01997	3.2
140.03584	1.4
145.06572	1.4
147.04561	1.3
147.08167	1.1
148.04028	1.0
148.98787	0.9
149.02412	1.3
149.06026	0.8
151.02782	4.7
152.03555	4.0
155.02211	1.3
157.06531	1.1
159.04524	1.3
161.02385	0.8
161.06075	3.3
163.99939	4.4
166.01472	1.6
169.06598	1.0
171.04538	2.7
173.06090	1.1
175.99863	1.0
177.00746	1.2
181.06631	1.0
185.06044	1.0
187.03984	1.1
188.04837	3.9
189.05573	5.8
190.01561	0.9
191.99377	5.0
192.02965	3.8
200.07066	1.2
209.06155	1.1
209.09708	1.2
213.05615	1.3
218.00978	4.5
224.07140	1.0
225.05605	1.8
225.09135	0.8
226.05162	2.3
226.08713	1.6
228.06673	2.0
236.90207	0.7
240.06470	3.4
241.05167	2.3
242.08235	33.5
251.07048	1.4
252.06525	1.5
253.08829	1.4
254.04445	1.8
255.06406	1.0
258.11206	1.1
268.06210	12.7
268.09216	1.4
269.04434	5.0
270.07721	57.6
271.08084	1.9
279.06638	2.2
280.03555	0.7
280.06152	4.3
286.10959	3.5
294.07526	1.1
296.05661	100.0
297.06015	2.5
298.07224	3.1
312.08704	1.4
322.07181	1.6
324.05127	31.7
324.08923	1.7
325.05557	1.1
326.06839	1.0
335.10291	1.6
340.08267	25.4
341.07834	7.1
379.09393	1.3
397.10468	2.4
407.08810	2.7
421.10617	0.9
429.10846	1.0
575.14600	1.8
593.15625	2.5
611.16644	6.2
612.16150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49948	0.6
65.00319	2.2
70.28809	0.9
70.29123	0.6
71.07724	0.6
95.01404	1.3
111.00897	3.5
124.01676	6.9
136.01671	2.3
136.98788	1.9
139.00389	6.0
152.01170	6.9
157.06578	1.3
165.08875	0.6
166.99812	3.0
169.02231	0.6
171.04250	0.6
171.08217	0.9
173.06097	2.0
185.06039	1.5
191.66365	0.6
193.01491	0.6
199.07550	1.1
201.05498	1.0
209.06044	1.2
225.05595	3.5
227.07104	2.5
229.05049	1.3
243.06631	27.0
253.05048	5.7
271.06134	100.0
272.06458	3.9
306.01318	0.6
311.12906	1.0
321.64279	0.6
339.12485	5.5
477.45908	0.8
526.14130	1.1
611.19403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36161	0.8
59.01387	2.3
61.84961	0.9
63.38265	0.8
69.07174	6.7
71.01389	4.0
82.93814	1.1
85.02953	1.1
85.51596	1.0
93.03456	1.2
94.69915	1.0
111.00918	1.4
113.02474	4.0
121.02966	2.9
123.04561	1.4
135.04530	3.3
137.02419	6.7
147.04547	1.0
149.02454	19.0
150.02950	1.0
152.01180	3.0
153.05705	1.0
162.03130	1.0
163.04018	8.0
164.04819	18.3
165.01941	49.3
166.02394	1.0
167.03484	3.0
175.00385	1.3
177.05557	1.1
179.03569	6.7
179.07103	5.5
180.04298	32.9
190.02747	3.5
191.03421	2.4
193.01428	14.7
195.02931	1.3
195.06628	42.2
196.06880	1.3
205.05075	5.3
206.05908	4.5
207.02980	2.5
208.03780	27.5
210.05341	6.3
221.08234	3.7
223.06123	100.0
224.06511	2.7
225.07689	49.0
226.07990	1.5
247.06084	0.9
250.04895	2.7
263.19608	0.9
265.07175	14.4
295.08224	3.3
325.09314	3.8
381.98700	1.1
430.18292	1.0
449.14566	6.0
491.15506	2.2
612.19379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30917	1.2
57.03467	1.3
59.01381	9.3
68.74877	1.0
69.33306	2.7
69.33712	4.1
69.62125	1.1
71.01394	5.8
74.70176	1.2
85.02962	3.8
89.02456	3.7
91.01906	2.0
91.16734	1.2
92.76904	1.4
93.03490	1.3
95.01392	1.8
96.96059	1.4
98.22589	2.6
101.02455	3.4
108.02205	4.9
109.02934	1.4
111.00959	1.4
113.02444	7.9
119.03532	1.3
121.02954	4.7
123.04533	14.6
134.03737	1.9
135.04543	3.9
137.02464	7.0
137.09663	1.2
149.02454	18.8
152.01138	7.8
153.01672	1.3
163.04070	7.0
164.04813	18.6
165.01942	49.4
167.03506	36.7
169.05176	1.4
177.05536	2.0
179.03554	7.2
179.04926	1.1
179.05762	1.6
179.07109	7.1
180.04309	28.1
181.05019	2.0
189.61005	1.1
190.02760	2.3
191.03499	2.2
193.01419	13.3
195.02946	2.0
195.06641	34.2
205.04991	5.8
206.05867	5.5
207.02994	2.5
208.03789	28.7
209.04518	5.5
210.05264	6.1
221.08195	4.5
223.06139	100.0
224.06517	2.4
225.07704	44.1
239.05545	2.0
250.04898	1.7
265.07172	16.7
295.08298	4.2
311.07684	1.7
325.09402	2.3
371.10031	2.5
404.06061	1.4
443.16016	2.0
449.14560	5.5
491.15762	3.3
611.19714	20.8
612.20825	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	611.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.3
61.29985	2.8
61.98820	7.5
65.00328	27.7
66.28667	2.8
69.05786	5.6
69.06184	19.9
71.01385	12.3
73.08582	3.1
76.45850	3.5
79.57124	3.1
85.02981	6.8
89.02456	6.5
91.67865	3.0
93.03466	4.4
96.96024	82.0
101.02449	7.2
101.06116	9.4
105.73466	3.3
111.00912	13.4
113.02473	6.7
117.03482	24.6
119.05038	83.2
122.06120	9.7
132.02158	4.0
133.03027	4.0
134.03757	56.6
135.04555	30.1
136.98820	54.2
143.05034	6.6
145.03026	11.3
149.06049	7.1
152.07253	5.2
158.38106	3.1
159.03128	3.7
160.01682	8.0
161.02461	7.9
163.07613	4.9
175.04063	8.1
177.98431	3.4
187.03984	21.2
193.05078	64.3
201.05556	4.0
255.02928	4.7
257.04596	100.0
281.11511	3.2
281.14294	90.6
301.78180	3.8
331.55508	3.6
375.12509	7.8
404.17865	4.2
444.20078	3.9
468.91278	3.8
489.19397	6.1
491.09808	15.6
611.15552	29.9
611.25055	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	611.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15405	29.2
55.39285	26.2
59.98775	26.8
63.67028	27.1
69.68079	100.0
69.68444	49.9
97.05405	28.2
98.22572	52.2
119.05045	49.6
128.84703	25.6
148.73817	27.9
196.07727	30.4
201.43721	32.9
284.03323	36.1
330.01837	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28813	38.8
59.01361	56.2
66.13091	38.8
69.83596	88.0
84.94046	43.4
87.94978	36.1
117.03519	62.3
119.05040	100.0
122.02482	96.2
135.04568	73.4
203.40300	42.5
209.37918	39.0
293.20200	40.8
384.79565	43.4
420.02945	40.7
611.24707	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95057	0.4
59.01382	6.0
66.00656	0.3
71.01385	1.3
72.12855	0.3
73.02964	0.8
73.98310	0.9
82.95408	0.3
89.00676	1.9
99.92577	0.7
101.02475	0.5
115.02263	1.9
116.92841	0.8
119.05043	1.1
135.04553	0.4
137.91452	0.3
150.03323	0.3
170.04573	1.7
205.05174	0.5
217.05083	1.8
218.05893	1.3
243.06708	0.5
248.06862	0.4
249.07610	0.9
261.07718	3.4
262.08395	1.3
263.09171	0.6
271.09796	0.6
285.11356	1.1
286.12082	1.3
287.12900	1.2
300.13803	0.6
301.14423	4.8
313.14566	1.1
315.12427	0.8
319.15515	0.9
327.15952	2.5
329.13861	0.9
330.14688	0.5
331.15494	5.2
344.14349	0.5
345.17084	14.7
346.17505	1.0
362.14954	0.8
363.18210	3.0
405.19089	1.6
435.19122	0.6
507.22552	0.9
523.22021	0.8
525.23541	3.5
526.23657	0.8
549.23120	0.5
551.21674	0.4
567.24493	100.0
568.24817	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	611.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.1
61.98830	0.3
62.06303	0.2
63.22533	0.2
65.00336	0.2
71.01389	2.6
72.99315	0.2
73.02950	2.2
75.64712	0.2
79.79237	0.1
83.01409	0.4
85.02966	0.7
87.00883	0.2
88.61028	0.2
89.02460	1.8
89.03976	1.5
93.03504	0.2
93.63840	0.1
95.01405	0.3
96.96038	0.5
99.00890	2.9
101.02450	1.4
106.04262	0.5
109.02991	0.2
111.00903	0.2
113.02448	1.4
116.92869	0.3
117.03476	5.5
117.04285	0.3
119.03550	0.4
119.05044	1.7
119.29803	0.2
120.05389	0.2
122.02500	0.3
125.02427	0.3
131.03508	0.3
132.02194	3.0
133.02977	0.3
133.74173	0.1
134.03757	82.8
135.04436	1.4
136.98790	0.3
137.02464	0.3
138.93073	0.1
143.03453	0.2
145.02956	0.3
147.04608	0.2
148.86940	0.2
149.04626	0.3
149.06096	8.3
160.01674	11.1
161.02065	0.3
161.04590	0.4
175.04024	12.5
176.04349	0.3
178.02724	1.0
187.04013	0.2
191.05591	0.4
193.05077	100.0
194.05421	2.8
212.06064	0.2
255.03009	0.3
257.04660	0.8
301.41019	0.2
303.51169	0.2
345.16846	0.2
375.16370	1.1
393.17941	0.2
435.18573	1.3
491.09091	0.2
567.24066	0.5
611.23352	1.5
628.84851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64627	1.1
55.01860	1.5
57.03436	1.2
59.01384	84.1
71.01389	39.3
75.60449	0.8
76.03913	1.1
83.01401	1.0
85.02971	6.3
88.98802	1.1
89.02452	28.9
93.90844	0.9
95.01397	2.7
99.04528	29.5
101.02444	16.8
113.02465	10.0
119.03518	9.3
125.84898	1.0
131.03526	1.4
159.53706	0.9
179.05550	2.4
189.12894	7.3
207.11955	2.1
207.13918	44.1
233.11832	1.8
251.12897	100.0
252.13313	3.2
269.13922	3.2
273.72888	1.2
354.94366	1.1
370.99948	1.1
377.12347	2.8
407.13565	1.5
431.19235	96.1
432.19589	5.0
449.20251	2.3
531.52814	1.0
611.25635	86.7
612.25647	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	611.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47601	5.4
53.18663	6.3
58.68589	5.5
59.01384	10.5
66.30052	5.5
66.34920	6.3
68.15050	5.1
69.13330	15.6
69.13754	20.6
73.71768	5.9
87.04521	100.0
93.37195	6.5
97.02950	11.5
115.04021	50.5
115.07665	9.5
119.05165	6.8
122.02492	71.3
123.71566	5.2
273.14993	12.2
275.03775	5.6
380.94516	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	611.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29952	3.2
61.98827	9.7
78.95911	9.6
87.04520	100.0
96.96026	21.1
96.96992	8.9
115.03989	29.7
116.59423	4.0
119.05065	4.4
122.02499	33.5
131.67578	4.3
156.59512	3.2
184.40858	3.8
326.03546	3.9
540.26215	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	611.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
59.01384	95.3
61.98816	3.4
63.67513	1.8
69.03467	2.1
69.60230	4.5
69.92753	1.6
71.01387	48.1
73.02942	7.0
83.01391	3.3
85.02962	20.9
87.00879	4.8
89.02456	47.7
97.02963	55.1
98.10629	1.6
99.00893	6.1
101.02448	30.3
104.77255	1.8
107.05118	2.5
108.02190	1.9
113.02459	22.1
113.06105	4.2
117.03428	2.2
119.03535	18.7
119.05039	8.6
119.08673	2.7
120.34722	1.8
121.06618	3.6
123.04524	2.3
125.02450	2.1
131.03528	1.9
134.03754	4.9
135.04486	4.1
135.08211	2.1
137.06087	11.5
143.03476	4.6
145.05087	3.7
149.04573	2.9
153.63123	1.7
159.03024	2.6
161.04587	23.5
163.07645	6.3
179.05658	12.6
193.05072	4.8
235.08240	34.8
257.19095	2.1
267.17508	4.5
283.16919	2.6
285.18427	9.4
293.15466	7.0
311.16531	13.7
329.17590	100.0
330.17850	5.2
491.23001	4.2
611.25568	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	611.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93797	3.4
59.01388	100.0
59.45794	4.1
61.98833	9.6
64.51158	3.3
71.01385	18.8
73.02948	7.5
80.89764	3.8
85.02954	10.1
87.00893	4.0
89.02445	7.8
97.02974	5.2
101.02448	16.1
111.00897	5.8
113.02457	17.1
117.03516	7.4
119.05054	18.2
119.08689	7.0
135.04556	6.2
136.98770	3.9
147.04468	3.6
161.04593	9.5
163.07640	17.7
163.69977	3.8
184.39638	3.3
217.07211	7.6
229.15900	4.1
235.08250	11.2
249.15001	7.7
255.13919	15.7
273.14981	34.8
277.09348	23.8
285.12677	4.0
318.04160	3.6
330.50436	3.6
417.27225	3.6
491.20313	4.0
565.32678	3.9
619.19507	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	611.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03443	2.2
59.01385	91.1
61.98826	3.0
69.03452	1.9
71.01389	44.7
71.04985	1.6
73.02944	8.5
78.05266	1.8
80.05058	1.6
81.03477	2.6
83.01385	3.0
85.02957	21.1
87.00896	5.0
89.02453	43.4
95.01420	2.1
97.02958	50.4
99.00893	5.3
101.02445	29.2
107.05006	2.7
108.02158	2.1
113.02460	18.0
113.06120	2.2
119.03524	19.1
119.05021	8.4
119.08633	2.0
121.06593	2.3
125.02444	2.6
131.03542	3.1
135.04539	3.8
137.06108	12.1
143.03506	6.6
145.05110	3.6
145.49312	1.5
148.05087	1.7
149.04570	2.3
153.09215	2.4
159.02959	2.5
161.04585	25.7
163.07661	5.1
179.05647	14.0
194.36778	1.7
235.08231	33.5
267.17615	3.3
267.63901	1.9
267.80353	1.8
283.17133	2.8
285.18643	6.6
293.15515	5.0
307.91962	1.6
311.16608	14.7
329.17599	100.0
330.17984	5.6
384.22171	1.5
449.24057	2.0
491.23013	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	611.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.08989	2.1
60.03710	2.0
64.22162	2.2
69.08526	15.7
71.05030	8.0
71.97535	2.6
74.83598	2.6
117.05593	62.0
119.05073	3.9
120.81063	2.2
121.02970	77.0
229.05197	2.2
325.18744	3.4
424.26318	2.4
551.26349	5.0
633.35931	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	612.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36655	0.6
65.00330	16.5
69.07330	1.7
69.07736	3.9
81.03448	1.1
82.46477	0.7
88.50094	0.7
92.99829	2.7
96.99324	4.2
98.21872	1.2
105.03472	1.6
107.05079	1.5
108.99319	0.7
110.00084	1.1
115.73337	0.7
120.99337	1.2
121.03040	0.7
123.04521	3.3
133.02928	3.7
136.98820	15.7
145.06563	0.8
149.99553	0.8
164.98302	36.6
165.98766	0.8
166.05106	1.0
171.04561	2.1
176.03549	1.1
177.99030	1.3
181.06554	0.9
185.06021	0.9
193.10223	3.1
195.08231	3.6
197.06203	1.4
199.04010	2.2
209.09761	2.7
213.05630	1.4
225.05580	0.8
227.03528	1.7
227.06978	0.9
237.09216	43.7
238.09604	1.4
241.05096	9.1
243.06572	1.2
255.10265	2.9
269.04559	100.0
270.04953	3.4
271.06110	2.0
296.09198	1.9
298.10831	10.1
324.08829	1.0
342.09860	11.4
362.18512	0.8
537.24042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95775	0.6
61.98877	0.6
65.00327	17.7
65.76932	0.6
69.13120	3.6
76.65845	0.6
81.48933	0.7
92.99818	3.0
95.60179	0.6
96.99316	4.2
105.03457	1.5
107.04981	1.6
110.00117	0.8
120.99313	1.8
123.04536	2.3
124.01669	1.0
133.02988	3.1
136.98834	13.9
151.03951	0.7
164.98320	32.7
165.96352	0.6
169.06645	1.1
171.04573	2.3
176.03566	0.8
177.99098	1.6
193.10266	4.1
195.08215	4.9
197.06107	1.2
199.04056	2.2
207.08174	0.9
209.09686	1.9
213.05669	1.6
225.05656	1.3
227.03624	1.0
237.09236	43.4
241.05090	9.1
243.06644	1.0
255.10266	2.3
269.04565	100.0
270.04950	2.9
271.06104	2.1
296.09296	2.2
298.10880	10.5
342.09860	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	612.151
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	15.3
65.06976	1.5
69.17812	5.0
69.18236	4.4
88.98753	1.3
92.03592	1.6
92.99835	3.2
96.99319	3.2
97.95180	1.3
98.22662	2.3
115.67181	1.7
120.99245	1.7
123.04543	3.4
133.02972	2.2
136.98807	9.6
164.98306	28.6
165.98862	1.7
167.03552	2.3
171.04474	1.4
181.06635	1.6
191.99394	2.0
193.10249	1.9
195.08104	3.2
199.03928	3.0
209.09650	3.2
213.05528	2.2
237.09221	43.8
241.05074	12.0
243.06787	1.3
255.10156	3.6
258.36880	1.3
267.03122	1.9
269.04562	100.0
270.04901	4.1
271.06143	3.4
298.10809	10.7
299.09183	2.5
300.09705	2.5
324.09009	1.6
342.09811	12.8
361.38577	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	612.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.6
65.00316	10.7
71.01383	7.3
75.02985	4.3
76.48563	3.4
79.08782	4.1
79.09205	3.5
81.03470	17.5
81.84307	3.4
82.03778	4.1
83.01401	7.3
85.02952	6.5
86.51499	3.5
87.01562	3.4
95.01354	6.8
96.79795	3.8
96.99332	4.8
97.22834	3.9
99.00903	4.5
101.02430	5.1
102.94042	3.8
108.02203	4.1
109.02991	19.4
110.02486	4.9
111.00880	7.4
119.04997	5.3
123.00848	5.7
123.04527	37.0
124.01664	11.4
124.04862	7.9
125.02438	8.4
131.05026	8.0
136.01657	6.2
136.98805	13.9
139.00441	5.5
147.04538	4.2
149.02409	7.1
151.00336	5.4
151.03946	4.3
152.01147	14.1
152.03551	11.9
157.06575	5.4
161.06136	7.5
164.03516	7.0
164.98376	18.4
167.03493	4.4
171.04541	7.1
173.05998	12.7
177.01947	6.8
185.06113	5.8
187.04022	8.6
192.03003	6.2
201.05620	6.6
204.02852	4.0
213.05617	9.3
215.03410	4.1
225.05594	4.8
226.99915	3.8
227.07162	7.2
229.05144	17.4
234.04150	11.2
237.09235	5.3
241.05101	8.6
242.08244	16.5
243.06638	35.7
253.08716	7.6
255.10240	10.0
256.10657	7.1
257.04642	12.3
269.04541	44.9
270.05203	5.9
270.07739	27.6
271.06107	100.0
279.06802	4.9
280.06018	4.5
280.09888	4.5
281.08038	5.0
285.04092	8.4
296.05569	14.0
296.08951	5.9
311.07813	6.3
312.08359	9.1
322.07233	16.2
324.05154	5.8
324.08752	9.1
340.08240	64.4
341.08252	4.3
342.09610	6.9
352.08270	14.4
405.10831	5.4
436.10242	4.8
443.90097	4.5
471.12051	24.4
500.28690	4.8
506.10968	24.0
566.14453	5.9
568.16479	4.6
594.14044	29.6
595.14044	5.3
612.16962	50.5
624.20868	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	612.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93124	0.7
59.01379	1.4
61.53487	0.7
61.73160	0.7
62.12222	0.7
65.00331	4.8
68.99825	0.9
72.94637	0.7
80.99829	1.7
81.03465	1.8
83.01381	1.4
86.64794	0.7
90.51050	0.7
95.01389	1.8
96.99312	8.1
108.02149	0.9
109.93688	0.6
110.00114	3.4
111.00882	6.1
115.05576	3.9
117.03501	2.5
119.05028	1.7
123.00893	1.1
124.01681	3.2
124.98812	7.7
125.99635	4.1
127.00391	10.4
131.05035	4.0
136.98801	4.4
139.00394	3.0
141.07115	2.9
143.05023	4.6
145.06590	1.7
149.99535	0.7
152.01161	3.0
152.98393	4.2
152.99460	1.3
153.01964	1.0
157.06564	4.7
159.04562	1.5
163.00412	0.8
164.98320	4.2
166.99867	1.2
169.06570	1.8
171.04558	5.8
173.06062	3.3
180.02986	1.2
185.06073	5.6
187.04034	8.1
189.05647	1.2
196.22299	0.8
198.03114	0.8
201.05609	8.6
203.07152	2.0
213.05580	3.3
220.02493	1.1
225.05627	1.9
227.07179	1.2
229.05032	6.2
236.01903	0.8
237.09299	1.5
241.05103	3.0
242.08264	1.6
243.06657	11.0
244.07088	0.9
244.21112	0.9
253.05049	2.0
253.08311	0.7
257.04565	100.0
258.04910	1.9
268.06213	1.1
269.04553	12.2
270.05096	1.7
270.07687	2.4
271.06140	32.3
271.09064	1.6
272.06342	1.6
285.04193	0.8
324.08783	0.9
326.10287	2.5
340.08289	20.1
342.09964	0.9
347.77975	0.8
352.08194	1.2
354.09885	19.1
354.14261	1.1
355.10092	0.9
405.40561	0.8
612.16040	2.8
613.17822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22772	1.9
61.98837	100.0
69.21766	13.3
75.27589	2.2
78.38441	2.4
78.95883	2.1
137.96255	2.3
399.49719	2.3
537.76245	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	612.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68764	1.9
53.00308	4.3
53.85392	1.6
59.01385	4.6
59.53903	1.6
61.98799	2.0
64.16253	1.6
65.00323	40.2
67.01894	24.2
68.99812	5.7
69.09665	9.2
72.97781	1.6
72.99322	5.3
80.99821	21.3
81.03453	4.9
82.00612	20.4
83.01393	3.5
95.01398	4.9
95.51779	1.8
96.99316	29.9
98.22633	4.4
109.02951	20.3
110.00099	6.2
111.00863	2.8
119.05073	2.6
120.99335	2.2
123.00873	3.0
123.04518	3.6
124.01706	2.1
124.98833	9.5
125.02459	2.2
125.99599	54.6
133.02992	2.7
136.98816	16.0
139.00407	6.0
141.07127	3.9
143.05093	2.0
145.06584	4.2
150.05621	1.9
151.04408	1.8
152.98361	8.7
153.99083	35.8
161.02460	2.8
164.98302	34.5
169.06621	7.0
171.04503	6.8
176.03630	9.5
185.06071	2.1
187.07634	4.0
196.14496	3.7
197.06006	4.1
199.04037	2.7
207.84250	1.9
211.03990	2.1
213.05563	15.1
215.07095	14.1
225.05495	2.7
237.09215	10.8
238.19336	4.7
241.05031	14.0
242.08145	1.8
243.06641	2.4
253.08676	4.7
257.04575	20.6
258.05151	2.4
259.06119	36.2
265.05325	1.8
269.04553	100.0
270.04904	7.4
270.07767	6.3
271.06052	7.2
281.08200	3.5
285.04095	3.2
286.07166	3.4
296.05490	2.1
296.09357	2.4
298.10919	2.3
324.08572	4.9
332.15863	2.8
340.08194	4.4
342.09860	10.1
352.08191	5.3
364.18167	2.0
508.22641	3.1
526.23785	5.1
567.25336	2.9
568.24841	66.3
569.25220	5.0
612.15314	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	612.3181
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
58.44690	0.7
59.01381	0.7
61.98831	1.2
71.05030	0.7
77.27703	0.8
114.64276	0.7
117.05600	2.6
121.02968	100.0
122.02506	8.6
122.03332	1.6
153.50581	0.8
180.05875	1.3
181.06660	7.1
225.05559	5.9
279.84866	0.8
288.26495	0.8
313.07190	17.3
357.06180	8.8
425.89038	0.8
612.31818	44.4
613.32013	2.4
623.14209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42869	2.0
57.80474	2.1
59.01386	100.0
61.98823	3.9
62.97121	1.9
65.34739	2.2
70.38725	5.1
70.73794	2.0
95.38475	2.3
159.92531	2.0
376.62997	2.3
558.37024	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	613.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44868	1.0
56.98037	1.3
59.01374	3.6
60.88465	1.1
63.96233	6.7
65.00323	7.3
67.01892	1.5
69.10207	1.1
69.18825	6.1
72.99313	5.3
73.98327	2.2
74.99104	37.0
81.78231	1.1
88.24319	1.2
95.01402	1.2
98.21970	2.4
111.61715	1.1
115.84808	1.0
117.03490	14.9
117.97325	5.1
119.01308	1.1
119.05045	5.0
120.99355	1.2
133.02977	2.4
135.00896	6.8
135.04504	3.3
135.98381	14.2
136.99152	30.8
137.02472	1.4
143.05031	1.8
145.02951	2.8
161.02477	9.6
163.00389	15.2
164.98315	4.7
165.99020	1.4
171.04558	1.5
177.01915	6.4
183.04486	7.4
185.02480	2.2
185.06117	1.6
187.04050	5.6
192.04276	8.9
193.05006	1.3
200.04904	1.5
207.06641	14.6
211.03989	3.6
212.04828	1.2
213.05573	4.1
215.03352	3.5
227.03571	6.2
239.03821	1.8
241.05069	1.9
255.03018	20.5
281.04608	2.3
283.02521	100.0
284.03259	67.0
285.04065	65.5
407.74686	1.2
475.10352	27.6
476.10629	2.2
493.11389	3.3
613.24091	2.2
618.30090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67635	0.1
65.00327	1.2
67.01904	0.3
68.99815	0.2
69.30585	0.4
69.30997	0.4
71.01398	0.2
72.96507	0.1
74.41940	0.1
82.00638	0.2
83.01412	0.5
91.01909	0.2
95.01403	1.4
96.99323	0.3
99.00894	0.2
100.24368	0.1
101.11213	0.1
107.01422	0.3
107.05065	0.2
108.02213	0.4
109.02992	0.2
110.00096	1.4
111.00890	9.4
121.02967	0.4
123.00906	1.5
123.04541	0.7
125.02440	0.7
128.71669	0.1
133.02950	0.7
134.03757	0.6
135.04543	2.8
136.98808	1.6
137.02455	0.5
137.99590	0.2
138.44684	0.2
139.00388	11.5
141.02043	0.2
143.05070	0.3
145.03024	0.2
147.00891	0.4
147.17140	0.1
149.02505	0.5
151.00386	2.0
157.02983	0.2
159.04549	0.5
161.02490	0.4
163.00438	0.3
164.01193	0.2
164.98280	1.4
165.01926	0.6
165.99084	1.1
166.99872	2.9
167.03534	0.5
167.05026	0.2
171.04543	0.3
173.02458	0.2
175.00397	0.2
175.04033	0.2
177.01929	1.1
178.99835	0.8
183.04544	0.5
185.02466	0.3
185.06097	0.5
187.03972	0.9
189.01973	0.2
189.05603	0.5
190.99850	0.1
192.00684	0.8
193.01430	0.8
195.04572	0.5
199.03963	0.2
201.01955	0.4
201.05579	0.8
205.05130	0.1
210.03319	0.2
211.03970	1.3
213.02008	0.4
213.05565	0.3
214.02660	0.2
215.03552	1.3
227.03485	0.7
228.04192	0.2
229.05086	0.9
231.03049	0.2
233.04594	0.4
239.03503	2.2
241.01445	0.8
255.02965	1.3
257.04587	0.5
258.01651	0.7
258.51797	0.2
259.02368	0.1
273.04092	0.5
283.02444	1.1
299.01907	0.5
300.02744	2.2
301.03546	100.0
302.03854	3.6
437.08789	0.2
445.07800	0.5
463.08984	0.3
569.26428	0.2
578.79584	0.1
613.11981	6.7
614.12183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33707	0.3
59.01387	1.6
61.98839	1.3
65.00333	4.0
69.59473	1.2
71.01400	0.6
79.29330	0.3
80.36546	0.4
85.02956	0.6
89.84883	0.4
95.01390	0.8
96.96030	1.3
96.99310	0.5
101.02433	0.6
103.70570	0.4
107.01448	0.4
108.02225	0.5
109.02965	1.5
110.00129	1.4
111.00899	2.0
113.02464	0.5
119.05035	1.1
120.99675	3.3
123.00892	1.0
123.04530	0.7
133.02962	3.2
134.03865	0.4
135.04518	3.3
136.70900	0.3
136.98842	3.1
137.02444	0.8
139.00401	2.1
150.03233	0.4
152.01173	0.8
153.01985	1.4
161.02460	0.9
164.98293	2.4
165.01988	1.2
165.05580	0.6
165.99071	1.5
166.99867	1.1
167.03540	1.4
167.06863	0.4
171.04596	0.6
172.05296	0.5
173.06140	0.6
174.03157	0.6
175.04012	0.8
183.04520	1.0
183.16272	0.4
185.06062	0.6
187.03951	0.5
192.00700	0.6
195.06531	0.4
197.04587	0.4
199.04024	1.1
201.01994	1.0
201.05647	1.7
202.02969	0.4
209.04588	0.6
211.03970	1.1
213.01952	0.5
215.03461	1.0
217.04956	0.5
226.02805	0.5
227.03560	2.5
228.04250	1.0
229.05057	1.5
230.02405	0.4
237.01903	0.6
239.03517	0.5
241.01457	0.4
241.04947	0.4
245.04529	0.4
255.02994	3.1
256.03625	0.4
257.04526	0.5
269.04523	0.7
270.04941	0.4
272.03372	0.6
278.49576	0.4
283.02515	1.6
284.03387	0.6
285.04004	2.0
286.04132	0.8
297.06400	2.2
299.02011	1.2
299.05615	1.0
300.02820	9.4
300.06067	1.1
301.03543	100.0
302.03998	2.9
315.05063	4.2
324.50623	0.4
432.10379	0.5
437.08704	0.4
451.96851	0.4
453.53049	0.5
583.73969	0.4
613.12000	38.8
614.12042	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11603	0.8
59.01411	0.8
61.22663	0.8
65.00333	3.2
67.01871	1.0
68.99831	1.9
69.03444	1.0
70.96774	1.3
79.01925	0.9
81.03516	0.9
83.01389	1.5
93.03471	0.9
95.01402	2.5
99.00903	1.1
108.02209	1.0
109.02998	1.3
109.95319	0.8
111.00883	5.1
115.05551	1.0
123.00922	5.8
124.01664	7.6
125.02460	1.8
127.05578	0.8
131.05107	1.9
136.01672	2.3
136.98830	2.9
137.02455	1.2
139.00388	7.3
141.01965	0.8
145.06578	1.3
152.01196	6.8
157.06607	0.7
161.06056	1.6
166.99966	3.8
169.06590	1.7
171.04591	1.0
171.08195	1.6
173.06105	2.7
181.01448	1.8
181.06633	1.8
185.06136	2.3
190.75359	0.7
195.08131	1.0
197.06105	0.9
199.07684	2.3
201.05591	2.1
207.22920	0.7
209.06110	1.4
212.21190	0.9
213.09341	1.0
225.05580	5.7
227.07202	2.3
229.05270	0.7
239.07251	0.9
241.05147	1.4
241.08699	1.9
243.06630	29.4
244.06883	0.9
253.05147	5.8
257.08163	1.1
267.06754	4.4
267.84711	0.9
270.04889	1.0
270.07864	0.9
271.06140	100.0
272.06500	3.2
279.06683	1.0
285.07697	2.7
297.07706	1.1
301.03680	1.2
329.06696	19.3
330.07303	0.9
343.08279	1.0
466.04297	0.9
556.88214	0.8
595.15979	3.3
613.13342	7.3
614.14539	0.9
624.31433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98831	4.4
65.00340	1.0
69.03446	0.9
69.49380	0.9
71.01379	1.6
71.41624	1.1
73.93210	0.7
75.00873	0.9
83.01383	1.1
91.01904	2.4
93.27476	0.7
95.01379	2.4
96.96011	1.7
97.02966	1.0
101.02431	1.0
108.02174	1.9
113.02377	1.3
115.69846	0.8
121.02963	1.0
123.00906	13.0
123.04547	6.7
124.01671	30.3
125.02457	16.4
135.04536	0.9
137.02458	1.2
149.99596	46.4
151.00320	2.2
151.01961	0.6
152.01149	2.9
153.01903	1.1
167.03502	15.4
168.00652	87.2
169.01422	5.9
179.03578	1.4
191.03534	1.5
207.02849	0.8
209.04567	0.9
239.05708	0.8
279.86496	1.0
311.07870	1.0
331.06702	3.1
382.43134	0.7
445.09955	1.4
451.12079	1.1
463.10580	1.0
576.08093	0.8
613.14081	100.0
614.14380	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	613.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
60.61840	1.0
61.98845	5.0
71.41466	0.9
75.02270	0.9
81.03440	1.1
87.00887	1.1
91.01917	2.2
95.01398	1.9
95.08099	0.8
97.02946	1.8
108.02174	2.0
117.92790	1.1
120.02254	0.9
121.02900	1.1
123.00901	11.0
123.04544	4.5
124.01676	26.7
125.02465	17.3
133.06987	0.9
137.99594	0.9
149.99599	45.3
151.00401	2.2
152.01135	2.6
167.03467	10.9
168.00656	86.4
169.01328	5.8
190.96950	1.0
257.00928	1.1
330.54337	1.0
331.06738	3.5
336.87909	0.9
347.18698	1.1
384.14337	1.4
445.21289	1.1
613.14142	100.0
614.14594	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	613.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57407	1.7
57.03457	2.1
58.03012	1.7
59.01395	3.0
59.94410	1.5
65.00330	5.0
65.94847	1.7
65.99857	4.3
68.99802	2.8
81.03469	7.5
82.02998	4.4
94.92109	1.8
98.02452	1.8
109.02951	11.2
110.02489	2.2
119.05069	3.1
120.00903	2.8
123.03248	5.3
123.04552	2.3
124.04061	5.2
134.02509	3.7
135.03282	5.7
136.00412	5.0
136.98799	2.4
138.01990	3.1
145.06606	1.9
151.02753	5.3
152.03546	22.3
163.99791	2.6
164.98294	4.4
166.01488	3.0
171.04552	4.5
175.99806	2.6
178.05328	2.1
182.08237	3.6
189.05586	7.5
191.99393	3.2
192.03017	4.8
200.07114	1.8
210.05583	3.1
212.03540	2.1
215.09267	1.7
224.07153	2.6
226.08847	2.2
228.06680	3.7
236.05400	2.2
240.03014	2.3
241.05106	3.8
242.08246	49.8
255.06569	3.7
257.05029	1.7
268.06143	12.6
269.04517	16.9
270.05115	5.7
270.07730	90.5
271.05655	2.7
271.08087	5.6
273.01450	2.0
280.06131	8.7
288.12549	1.9
296.05646	41.2
297.05792	2.4
301.03549	4.4
306.04144	2.6
318.91064	1.9
324.05310	11.1
324.08521	2.3
341.07718	2.2
342.09930	15.0
405.10928	12.8
407.09216	2.3
423.12018	24.8
424.11981	2.2
428.11160	7.1
454.09320	13.3
457.10709	1.8
471.11987	100.0
472.12158	5.8
559.15118	9.3
595.17554	3.4
613.16449	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	613.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
61.98837	100.0
63.30993	1.0
66.00760	1.2
69.09156	7.7
74.35244	1.0
121.58091	1.2
121.99010	1.3
214.85220	1.3
238.85736	1.1
298.12219	1.1
546.22046	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46619	23.9
59.01373	34.4
68.32594	23.5
68.66211	26.4
83.01373	26.4
98.22710	56.0
106.34695	24.4
119.05051	100.0
134.03699	25.3
135.04533	33.3
189.55574	27.3
223.72609	22.7
268.43988	27.8
405.18414	25.0
543.84546	23.8
588.00531	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86737	1.6
59.01383	4.2
61.98836	4.2
71.42080	2.0
71.42727	1.5
72.97527	2.7
73.98318	9.1
74.02480	2.5
74.79644	1.4
80.81659	1.6
82.96111	1.5
84.02203	3.2
84.04555	2.4
86.02489	22.0
87.02736	1.9
89.00676	48.9
99.77590	1.6
109.07738	2.3
115.02244	29.7
127.05155	4.0
127.08791	19.0
128.03557	100.0
128.31654	1.7
139.84656	1.6
151.42574	1.8
153.06743	4.2
156.17290	1.8
171.07767	85.9
176.03836	3.9
197.05721	2.0
203.96342	1.7
213.08101	1.8
215.06717	25.1
245.84076	1.7
268.89069	2.2
287.07037	2.1
289.14429	4.1
305.08139	4.9
343.13739	11.1
361.14902	14.1
379.15811	4.4
399.03552	1.8
430.17023	3.0
448.17990	9.8
466.19073	9.2
484.20111	2.0
559.21149	2.6
577.22217	15.7
578.23334	2.4
595.23364	32.8
596.23737	1.9
598.20953	2.0
613.24402	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	613.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72953	1.1
57.12983	1.3
59.01389	36.1
69.03458	1.5
69.31937	4.8
71.01393	11.9
73.02958	16.0
83.01401	4.3
85.02969	5.0
89.02459	4.9
97.02940	3.0
99.04523	1.4
101.02465	11.1
113.02461	4.1
119.03485	1.5
120.69164	1.4
124.01669	4.9
135.04530	4.1
161.02480	1.8
165.01926	1.5
170.98181	1.2
179.03543	1.7
186.36340	1.1
225.07751	1.1
247.20720	2.7
277.21777	2.1
303.19681	16.1
321.20728	4.5
327.40244	1.3
369.48267	1.2
465.24994	2.6
483.26083	5.0
507.26166	1.6
525.27222	13.6
527.24939	3.5
551.24866	9.5
569.26086	100.0
570.26758	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	613.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
56.20822	1.3
57.03457	2.2
59.01385	100.0
69.03459	2.2
71.01389	24.4
73.02952	9.8
83.01398	3.8
83.37603	1.3
85.02966	8.0
89.02451	8.7
95.01398	1.9
96.96054	2.7
97.02952	1.7
99.00913	1.5
101.02444	14.6
113.02428	9.2
118.36539	1.5
119.03503	2.2
161.04572	5.2
165.01953	3.3
180.04240	2.2
189.12920	2.0
207.17632	1.9
225.07648	2.1
259.20740	1.7
275.52716	1.5
277.21799	8.0
303.19650	3.6
321.20782	7.7
347.18823	3.0
348.97495	2.0
365.19656	9.4
489.19244	1.5
525.27069	28.0
569.26068	73.2
570.26166	3.6
613.20831	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	613.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76701	1.3
59.01383	1.4
68.30183	1.1
96.95996	5.0
99.08133	1.5
117.03472	3.0
119.05030	2.0
121.02972	13.3
134.79025	1.3
145.02939	10.6
152.06644	1.2
156.94182	1.3
157.94745	1.2
171.10287	37.3
185.61818	1.1
191.07019	1.9
197.02818	2.9
249.22168	1.8
256.53500	1.2
265.14795	9.4
277.21735	44.0
278.22153	1.7
295.22794	100.0
296.23083	3.7
315.19321	1.6
317.21002	40.1
325.18478	7.9
361.20056	2.9
392.05530	1.5
419.22275	2.5
569.68652	1.3
613.33252	2.1
613.44440	55.0
614.44623	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	614.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	3.8
65.13052	1.0
68.99810	1.0
73.40126	1.1
86.43340	1.0
93.67673	1.0
94.92512	2.4
107.71402	1.1
123.03260	1.6
135.03290	1.4
136.00420	1.2
136.98814	2.8
145.06602	1.4
163.99878	1.7
171.04510	3.3
173.06148	1.6
191.99371	1.1
192.03018	1.5
222.05621	2.4
226.08762	1.2
234.51360	1.1
236.07208	1.6
242.08260	12.2
243.08752	1.3
249.81937	1.1
253.05035	1.4
255.06618	2.7
268.06256	2.0
270.04993	2.2
270.07727	21.6
289.12570	2.6
296.05634	5.4
324.05286	1.2
334.07336	1.2
334.12402	1.9
336.10294	13.9
338.11975	2.5
360.10043	2.1
362.11880	3.5
363.09970	1.6
364.09860	4.2
378.11337	3.1
383.04486	1.4
386.11847	4.0
398.14246	1.7
402.11432	2.6
406.10742	3.4
410.50952	1.2
430.10794	3.2
456.09116	1.3
487.10541	2.3
534.17334	2.6
543.46417	1.2
572.79694	1.2
578.16132	100.0
579.16095	5.4
596.17273	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	614.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51222	1.2
58.89055	1.1
59.01382	100.0
61.98828	4.8
70.66695	2.3
104.19899	1.1
109.02938	2.0
109.93337	1.2
117.74401	1.0
121.02966	34.6
122.02497	63.7
132.88452	1.3
134.50890	1.3
135.04521	1.5
274.42749	1.2
322.58777	1.4
431.18671	2.2
554.21802	5.2
628.13141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
65.58800	0.4
78.03482	2.1
81.66740	0.4
87.04527	2.1
97.02959	0.4
119.05026	0.7
122.02493	100.0
123.02834	1.0
169.27249	0.4
274.87296	0.4
284.03250	1.5
288.06110	0.4
356.11420	0.6
381.91727	0.4
407.20697	2.0
473.21317	0.5
616.50580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70801	0.7
50.86014	0.8
57.96730	0.7
59.01391	1.3
61.98830	4.2
69.83497	2.7
69.83849	0.9
78.03499	2.2
79.20969	0.8
82.95428	1.0
84.95129	4.6
87.04523	2.0
98.22597	0.9
119.05033	2.3
122.02493	100.0
123.02821	2.2
135.04518	1.3
197.62837	1.0
284.03326	2.6
375.88312	0.9
386.84930	0.8
407.20874	2.4
469.20944	1.1
642.62830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.6
69.19277	1.6
71.01391	0.3
79.95746	3.5
89.02500	0.3
96.96020	100.0
113.92577	0.3
114.93415	0.7
119.05032	0.3
132.55977	0.3
134.03760	1.9
135.04651	0.4
137.02449	0.3
149.06097	0.3
165.01982	0.4
178.02705	1.0
193.03485	0.4
193.05087	3.1
194.97533	0.3
202.36906	0.3
269.04572	1.9
294.99286	0.3
303.05261	0.4
325.00421	1.8
339.98956	0.8
367.01321	3.9
409.02536	1.1
473.11014	0.7
529.06726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46983	0.2
59.01379	0.3
62.08733	0.2
65.00318	0.3
65.00751	0.2
71.01375	0.4
74.38244	0.2
79.95749	3.9
89.96802	0.2
96.96021	100.0
114.93461	0.3
154.52888	0.2
155.37189	0.3
269.04541	1.8
270.04865	0.4
287.20825	0.2
392.08484	0.2
437.66605	0.2
473.10904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21030	0.9
55.56047	1.0
59.01373	7.3
61.98839	1.0
65.00320	1.3
70.15160	1.1
70.15501	2.0
71.01378	1.9
73.02977	1.2
79.90121	1.0
79.95686	1.0
82.00588	1.5
83.01396	1.1
85.02950	1.3
93.03441	1.6
96.96012	1.8
98.21977	1.2
99.92599	1.3
101.02431	1.7
107.01430	1.0
108.97602	1.0
110.00122	7.3
110.95061	0.9
111.00884	1.1
113.02478	2.3
116.92874	5.0
119.03532	1.0
124.78076	0.9
133.02986	10.9
134.03349	1.1
135.04553	1.5
136.98792	1.1
137.02478	6.1
137.99617	1.0
147.53572	1.0
165.99113	13.0
166.99855	1.8
171.04636	1.6
181.01424	2.0
185.02509	1.2
187.03882	1.2
195.06688	1.1
199.04028	3.2
201.01979	1.8
209.04424	1.7
223.04158	1.3
224.04747	0.9
227.03516	8.7
241.05180	1.5
243.03209	1.0
251.03574	1.5
253.24452	1.0
255.03078	10.0
267.02905	1.0
269.04535	1.5
271.02512	2.7
279.03027	3.5
295.02597	1.9
296.03244	1.4
297.04016	4.3
299.01965	1.5
311.07907	1.0
405.06012	2.3
422.02661	2.0
432.04926	3.0
433.05692	100.0
434.05884	5.7
459.03363	3.7
527.29962	0.9
542.42792	1.0
600.05518	3.4
615.07843	95.8
615.35034	2.7
616.08038	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	615.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.5
61.98843	1.1
65.00304	1.2
69.35014	0.9
69.40018	5.0
71.01377	3.3
73.02960	2.0
80.86546	0.8
82.00606	1.3
89.02494	1.1
93.03467	2.3
96.96016	2.1
99.92612	1.0
100.93320	1.1
101.02426	1.6
103.43006	1.0
109.02940	2.0
110.00114	7.2
113.02425	1.1
115.82147	1.0
116.92849	3.1
118.00303	0.9
119.04948	1.2
119.56869	0.8
125.99519	1.0
133.02975	11.9
135.04544	2.5
136.98856	0.9
137.02454	6.1
165.99091	12.5
166.99857	1.4
171.04485	1.4
173.02367	1.1
181.01463	1.2
195.04535	1.5
199.03987	3.6
201.02055	1.1
209.04572	1.9
223.03999	1.3
225.05562	1.2
226.02745	1.1
227.03540	9.4
233.34402	1.0
235.37529	1.1
241.01468	1.7
241.05096	1.5
243.03020	1.1
251.03484	3.4
253.01436	1.2
255.02962	8.4
267.02975	1.2
269.04477	3.1
271.02402	3.0
279.02878	2.9
280.03854	1.8
281.01074	0.9
282.01352	0.9
283.02322	0.9
295.02563	2.1
296.03256	2.1
297.00943	1.1
297.04016	4.8
299.01996	1.8
315.06436	1.2
387.05188	1.1
405.06271	1.6
422.02710	1.2
432.04874	2.3
433.05658	100.0
434.05984	5.5
459.03458	3.8
464.03992	1.3
512.44391	1.1
555.27844	1.1
571.26556	1.3
600.05603	4.5
615.07825	96.3
615.34290	2.6
616.08337	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	615.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	49.1
59.41315	0.6
59.76858	0.7
60.61739	0.7
61.23188	0.7
61.98833	0.7
70.56251	1.4
78.03475	1.2
88.86488	0.6
98.21907	0.7
108.02192	0.8
109.02959	1.5
119.05022	1.5
121.02964	2.3
122.02496	100.0
122.72749	0.7
123.02849	1.5
135.04512	1.9
135.57474	0.8
136.04059	1.2
165.01944	1.6
206.04541	1.3
243.70938	0.7
250.96515	0.8
279.06143	0.7
284.03479	0.9
376.15384	0.8
432.18573	1.5
555.21259	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	615.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59619	1.9
55.93625	2.1
59.01370	6.1
67.70040	2.2
69.35499	2.0
85.06592	17.0
87.42873	1.9
97.06609	3.1
101.06084	9.4
111.04508	6.0
113.06107	11.8
115.04026	29.0
115.07655	12.8
119.08672	8.3
124.01627	2.3
125.02442	5.5
129.05568	4.9
139.04025	60.2
141.05559	3.4
143.07127	5.1
153.05597	2.6
154.97511	2.3
163.07661	36.0
171.06644	67.0
189.07721	11.4
213.07660	2.6
214.33022	2.2
229.15956	6.9
255.13933	7.9
273.14993	100.0
274.15350	2.4
347.18524	5.0
441.08945	2.1
445.22351	4.2
506.54095	2.5
562.55121	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	615.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12324	1.8
59.01386	100.0
63.03444	1.8
70.45055	1.8
78.95916	2.1
91.26463	1.6
121.02153	2.8
121.02970	33.8
123.49821	1.6
137.26102	1.7
141.74945	1.7
157.08653	1.7
176.82358	1.8
213.90428	1.6
325.38565	1.8
437.59521	1.9
513.65094	2.1
555.23956	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	615.2822
Annotation	YM 47524
Peak:m/z	Relative Intensity
50.25916	0.7
53.05721	0.6
55.01875	0.9
57.03444	1.6
59.01384	7.5
61.98810	0.7
71.01392	6.1
71.40343	0.8
73.02964	1.4
83.01401	1.2
85.02953	2.7
89.02447	2.3
92.02652	0.8
93.03471	43.5
95.01395	1.4
96.96104	1.0
97.02957	2.0
101.02442	4.9
108.02171	0.9
113.02464	2.2
115.89293	0.6
117.03477	1.4
119.05035	5.4
121.02975	1.1
135.04570	3.8
136.01665	3.7
137.02461	91.3
138.02776	1.5
145.02960	1.2
149.02448	1.8
151.04002	1.4
160.56473	0.8
161.02431	0.7
164.04832	1.3
179.03514	8.1
209.04550	1.0
223.06177	2.7
239.05635	3.0
244.42534	0.7
281.06491	0.9
284.03308	0.7
285.03943	1.4
333.20752	2.3
336.02655	0.8
362.00009	0.9
375.24884	0.8
430.52136	0.7
615.28137	100.0
616.28516	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	616.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	2.8
65.00334	2.3
65.99850	11.2
66.09703	1.4
68.99816	1.7
70.70813	1.5
73.02941	1.8
91.73506	1.7
92.39945	1.6
96.00925	1.9
96.96011	1.5
96.99314	2.6
110.02506	2.2
112.98795	8.5
117.53981	1.5
120.00959	6.6
129.01901	1.9
133.01724	1.8
135.03264	1.8
136.00418	3.7
136.98755	1.8
143.05074	2.3
145.02939	1.8
151.02692	1.6
156.00687	2.4
157.01437	3.5
161.01266	1.8
163.99910	7.6
164.03654	1.5
165.00703	2.0
171.04582	3.0
173.06039	1.7
175.99901	9.0
177.00598	1.6
181.74719	1.7
190.01393	1.6
190.98627	3.2
191.99406	6.3
192.03053	3.0
198.05547	1.5
199.99873	1.5
202.01431	1.8
205.00159	1.7
208.07825	1.9
215.03441	2.1
218.00999	4.8
225.05469	1.8
226.05022	2.4
234.04060	1.4
240.06662	2.7
242.08244	23.1
252.06769	2.5
254.04770	2.0
268.06155	16.9
269.06860	3.1
270.07724	56.9
271.05923	3.4
276.58664	1.4
278.07990	1.7
280.06152	31.9
281.06540	2.0
286.10898	2.2
294.04688	2.2
294.07620	7.5
295.04855	6.9
296.05652	100.0
297.06119	4.7
304.06360	2.6
315.05026	2.0
320.09302	3.3
322.07196	1.6
324.05115	25.4
332.05606	2.4
334.07135	1.8
336.08752	5.5
348.05133	1.9
349.67532	1.6
350.06885	2.1
364.08295	10.3
366.06207	17.0
378.06268	3.4
394.05783	6.5
400.11264	1.6
408.07193	14.9
436.06638	9.1
454.07843	13.7
496.11481	2.5
518.36584	1.7
522.12268	1.8
528.12878	9.1
597.79230	1.6
616.14423	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	616.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99851	7.5
69.32221	20.8
75.00878	55.0
78.69263	3.8
87.20129	3.7
101.03912	3.6
103.00386	51.7
109.18797	4.3
120.00925	16.4
120.32385	4.0
121.02907	4.6
136.00473	9.2
141.01936	4.8
142.02972	3.9
145.02980	8.9
146.02567	4.4
156.02988	4.4
158.02509	5.2
160.03947	4.6
162.64459	3.6
164.00014	9.4
171.04544	6.6
174.02031	6.0
177.00742	5.3
186.01955	5.3
191.99373	13.8
202.01459	8.4
218.00885	5.6
230.00813	5.0
240.06734	6.0
260.07089	3.8
268.06198	31.1
270.00345	10.4
270.07852	9.5
278.08240	18.7
280.06216	7.9
292.06207	5.4
296.05676	100.0
296.09024	10.1
297.06070	7.4
305.21057	4.0
306.07712	11.9
322.07159	6.4
334.07242	29.2
353.08478	3.4
354.09808	15.4
356.07745	54.8
362.06610	7.2
366.09851	42.9
374.06555	9.1
378.05927	6.5
406.05545	10.0
410.08710	7.1
436.12000	7.3
438.08411	18.5
461.66138	4.4
480.10904	11.8
524.09918	18.8
539.40063	4.1
540.12653	5.5
556.12537	14.3
584.12238	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.1
65.00324	1.8
65.99849	3.5
68.99821	1.3
80.01434	0.7
81.03467	10.8
88.98798	0.9
95.01401	0.8
96.00900	0.5
98.02518	0.6
106.02988	0.8
110.02491	3.9
114.10101	0.6
119.05041	1.8
120.00931	1.0
122.02486	2.2
123.03291	3.3
127.05544	0.7
132.00938	0.8
134.02490	3.9
135.03299	5.5
136.00427	3.1
137.02412	0.7
138.01979	2.0
145.06618	3.3
147.04539	3.8
148.04002	1.0
150.01942	3.5
151.02740	4.3
155.02266	1.3
157.31447	0.6
163.99925	1.2
164.03532	1.4
166.01472	1.3
169.06567	1.3
171.04539	1.8
172.23512	0.8
173.06158	1.1
175.99905	4.3
185.06093	1.3
187.07677	6.2
192.03087	3.5
197.06084	1.0
199.07726	0.7
200.07278	0.9
211.07834	0.8
213.05637	1.3
218.04491	0.7
224.07100	0.7
226.05261	0.7
226.08778	2.1
228.06659	2.1
229.08745	2.2
238.05115	1.4
242.08257	35.7
243.01567	0.8
243.08588	1.6
252.06659	2.2
254.05850	0.9
255.06517	0.7
268.06287	3.1
268.09732	2.2
270.07739	100.0
271.08157	3.8
278.08368	0.8
280.06189	13.0
296.09290	12.2
297.09650	0.7
298.07263	1.3
317.11594	0.8
320.09360	0.8
322.07224	0.9
345.11264	2.9
364.08270	2.7
374.06805	0.9
376.08142	0.7
468.14566	35.0
469.14798	2.6
494.12778	3.4
541.62482	0.6
598.18713	6.9
599.18939	0.8
616.19879	10.0
617.20941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80535	2.0
59.01386	100.0
61.76488	2.1
69.81501	4.5
69.81887	6.2
71.82851	1.7
75.00893	3.3
91.14008	1.8
98.21902	3.9
103.00438	4.8
103.01514	63.4
105.62746	2.0
117.03580	2.3
122.02515	6.9
135.04564	4.7
139.02209	2.0
153.96300	2.3
190.86125	2.1
220.60515	1.9
446.11429	2.2
496.01831	2.3
503.15424	2.1
602.26306	2.2
618.16992	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	616.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.78023	1.4
121.02966	41.7
122.02502	50.6
434.19504	2.1
515.93433	1.6
556.23529	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	616.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
78.03499	0.7
78.95920	0.9
96.96023	11.5
96.96973	1.2
108.02223	0.9
121.02963	26.8
122.02497	49.5
172.08034	0.7
179.59364	0.7
184.98387	0.7
311.16754	1.7
323.17416	0.7
344.19629	0.7
433.20395	1.0
556.23322	11.2
557.23431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29927	0.5
54.45122	0.5
59.01385	100.0
59.35073	0.6
68.54858	0.5
69.10509	3.1
78.03517	1.0
86.07210	0.6
96.96043	0.9
97.87294	0.6
100.37582	0.5
108.02230	0.8
121.02975	34.9
122.02496	46.4
200.45287	0.7
311.16702	2.6
395.78989	0.5
434.19995	1.0
556.23480	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	616.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74148	0.7
69.74545	0.7
78.95909	7.4
79.04715	0.3
79.95745	2.5
80.51719	0.3
83.66142	0.3
96.67371	0.3
96.96020	100.0
96.96928	10.7
98.21983	0.4
109.51795	0.3
117.85417	0.3
130.03011	0.5
146.02475	0.5
150.01981	0.9
159.85138	0.4
164.00041	0.3
171.04492	0.4
174.01976	0.8
190.01480	0.4
278.08157	2.3
294.07837	1.4
322.07159	1.0
398.82834	0.4
510.15414	0.5
599.14978	0.4
616.19263	1.0
617.15515	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98836	2.6
69.35066	8.1
70.06474	1.3
71.29868	1.2
73.19061	1.5
76.68064	1.3
87.77651	1.4
94.03575	1.5
115.02506	5.0
117.00441	6.7
130.02121	1.4
132.98193	4.7
150.94899	2.4
159.01506	57.9
160.01585	2.3
174.97719	1.9
174.99258	39.3
187.01065	2.6
189.00714	3.3
192.95874	11.8
201.02573	12.5
203.22966	1.7
217.00308	77.3
218.00639	2.5
274.99350	5.8
290.96954	1.8
301.02682	27.1
302.02841	4.2
317.00418	63.8
318.00653	4.2
331.01788	1.8
332.98172	20.6
359.01355	4.2
374.99219	31.1
459.01596	5.3
474.13043	1.8
474.99466	25.8
556.98438	37.2
557.98529	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	617.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78263	0.4
59.01377	0.9
65.00331	0.6
68.67873	0.4
79.95740	4.1
96.96019	100.0
114.93436	0.9
121.02973	2.8
122.03355	0.7
133.01137	0.4
137.02464	0.5
164.98352	0.9
191.00349	0.5
243.06712	0.5
269.04596	1.3
271.06216	1.2
297.69843	0.4
305.06769	0.6
306.06961	0.7
423.79837	0.5
433.11435	0.6
434.38120	0.5
457.18164	0.5
475.12570	0.9
500.76376	0.5
539.03259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20295	2.3
59.01391	18.7
61.36123	2.8
61.36753	2.7
61.98824	3.0
65.95197	2.9
71.01380	8.0
91.01911	3.7
92.59355	2.8
93.03451	10.1
99.00906	3.9
101.02419	4.5
109.02955	11.3
111.99614	3.3
113.02463	3.6
117.03462	3.7
119.05061	15.2
122.02480	4.3
123.04545	14.5
133.02937	7.7
135.04552	17.1
137.02493	21.6
138.02777	4.0
139.00406	2.5
145.03001	2.8
149.59334	2.3
153.01933	9.4
155.98615	12.5
167.03532	46.8
171.10309	18.5
209.11841	10.2
274.15845	3.1
285.03949	6.1
303.19708	21.8
315.19653	9.4
331.19040	3.3
333.20752	100.0
334.20950	5.9
533.11877	3.0
537.27081	64.6
538.27142	5.0
573.21545	5.8
616.28040	3.2
617.29431	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	617.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67752	0.2
59.01383	60.7
60.01720	0.4
71.43279	0.3
78.03485	1.8
86.03037	0.3
95.31621	0.2
98.62867	0.3
100.74498	0.2
108.02199	0.6
122.02490	100.0
123.02824	1.5
136.04070	0.8
150.05615	0.4
152.99544	0.3
202.05099	0.4
239.10854	0.3
253.12288	0.3
311.16562	1.1
434.19763	1.2
451.85318	0.3
557.22968	7.3
557.31635	0.4
558.23267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29430	6.7
61.98814	6.3
64.00013	5.8
78.95909	30.0
81.53726	5.8
96.96023	100.0
96.96664	6.9
96.96962	12.2
116.92921	7.1
146.37611	6.6
151.23410	6.9
152.99614	17.8
171.10313	9.8
185.39404	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	617.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	37.0
61.98830	100.0
64.22055	21.4
69.34188	52.0
69.34570	51.5
98.21882	44.9
122.02470	28.7
142.48389	24.1
170.21985	23.2
184.89574	21.8
229.07536	22.6
312.72964	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63519	0.3
58.96780	0.3
59.01385	54.5
70.55547	0.5
70.99168	0.3
71.89230	0.3
74.00723	0.9
74.99119	1.5
75.42403	0.3
78.03482	2.4
84.53086	0.3
86.02486	8.5
86.03011	0.4
89.00686	0.4
93.31710	0.3
96.96015	1.0
101.02478	0.3
119.05055	0.8
120.01286	0.8
122.02496	100.0
123.02856	1.4
125.15961	0.3
135.04512	0.5
192.13101	0.4
209.11720	0.3
231.52794	0.3
331.87604	0.3
347.16800	1.6
365.18011	0.7
407.18997	12.8
408.19095	0.8
494.22272	12.8
495.22308	0.5
573.25714	0.8
617.12744	0.4
617.25458	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	617.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88845	3.5
59.01389	100.0
60.01703	5.3
98.22638	8.8
103.00391	4.1
103.01534	27.1
121.02982	21.5
122.02531	28.7
123.02850	4.4
167.18098	3.9
217.93105	4.4
276.33569	4.1
557.23700	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	617.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.07350	9.0
69.83630	9.4
70.56003	16.4
78.95898	8.3
82.78095	9.0
96.96023	37.2
103.01526	62.6
109.80063	9.0
113.15709	8.1
118.76097	7.7
222.50009	8.0
237.61205	8.0
265.14713	12.6
318.78101	8.9
623.98840	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	618.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56021	0.8
57.74643	0.9
59.01388	1.1
59.68354	0.8
65.00337	2.5
65.99849	9.7
68.99812	1.4
71.40221	1.0
75.09921	0.9
81.03465	1.5
83.01405	1.2
87.00880	4.1
88.98767	1.0
91.83167	1.0
95.01347	1.0
95.68205	1.0
97.02972	2.0
108.00943	1.5
110.00096	1.0
110.02496	1.1
111.00949	1.0
112.34469	1.1
112.98815	1.4
119.05054	3.0
134.02452	1.7
136.00418	2.3
145.06602	1.9
146.02376	1.4
150.02010	1.6
158.02486	3.2
162.01999	1.3
163.99934	1.7
171.04547	4.7
174.01945	2.2
174.79185	0.9
174.99112	1.5
175.99895	10.8
178.01479	5.0
182.28793	0.9
202.01448	6.5
203.07103	2.3
203.99434	1.8
206.01018	1.8
213.05463	1.7
218.00955	6.3
218.98050	1.1
219.01753	1.1
228.03273	1.2
230.00960	2.1
234.00461	4.4
239.60127	1.1
245.08183	3.8
246.00433	7.9
246.08559	1.8
246.34781	1.1
261.99945	10.1
268.06122	3.5
270.07761	3.4
273.99960	8.2
280.06155	22.9
282.07724	3.3
296.05579	2.6
296.08978	1.5
306.07739	11.2
308.05679	2.2
310.07297	3.4
322.07172	2.7
328.11905	5.0
334.07336	1.6
347.06796	1.7
350.06696	9.2
366.06189	11.7
367.05789	1.3
378.06189	100.0
379.06482	5.9
410.08875	6.2
422.05215	2.0
430.10358	1.3
492.95395	1.2
537.07593	1.1
586.08936	1.1
618.14777	1.3
620.13202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56490	2.3
56.58961	2.0
59.01382	75.2
60.01715	4.4
65.99846	7.9
69.42942	7.3
69.43347	5.2
72.22386	2.2
73.02950	32.4
76.07122	2.1
83.36891	2.2
98.21917	3.1
98.92487	2.4
117.03457	7.0
122.02492	100.0
122.56806	2.6
123.02861	14.9
131.05028	4.5
133.01630	2.6
136.00391	3.6
136.03978	2.4
141.07108	3.5
142.06644	2.9
146.02464	3.2
147.04506	5.7
150.01953	2.3
161.06073	4.1
162.01942	3.1
166.06673	3.2
169.06595	5.8
171.04523	4.6
180.08229	4.0
185.06073	5.1
187.03969	3.2
192.08258	3.8
193.06548	4.8
194.06076	6.5
196.07651	5.0
197.06114	3.0
203.24474	2.3
208.07686	9.8
210.05522	2.6
218.06158	3.0
220.07672	4.4
222.05490	3.2
224.07152	3.5
234.05630	3.0
235.06377	3.3
236.07188	11.1
237.05606	3.7
239.05748	2.6
240.06708	5.5
248.07162	9.0
249.07967	3.8
250.08719	3.1
252.06619	7.0
263.05963	2.6
264.06686	9.6
265.07465	5.0
266.04697	5.2
268.06152	13.5
269.04401	4.5
270.07690	8.4
271.77798	2.3
276.06595	6.4
277.42798	2.6
280.06177	5.2
284.09692	2.5
287.09393	3.1
292.06223	6.5
293.07031	2.4
296.05640	8.1
308.05789	3.0
320.05606	8.0
322.03510	7.2
324.13885	4.0
338.06802	2.8
340.04694	7.0
350.11908	3.7
352.13361	18.3
354.06213	4.6
368.12827	5.0
380.12860	21.1
396.12372	14.7
404.76819	2.4
424.11905	44.0
468.10980	32.2
469.10718	2.7
486.12015	59.7
500.13165	4.1
558.22906	6.4
618.14954	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	618.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
61.98838	100.0
64.43629	1.4
70.93307	2.4
71.23371	1.3
76.33219	1.4
85.09976	1.4
85.84883	1.4
122.02468	3.6
168.76445	1.5
179.88840	1.5
220.50665	1.7
228.02357	1.5
330.83606	1.7
375.71680	1.7
440.23990	1.5
449.01324	1.5
536.53876	1.6
629.60931	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	618.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86704	3.3
59.01383	3.2
60.99306	15.3
88.98817	100.0
98.26851	3.5
122.02483	13.9
135.04518	5.0
185.55583	3.3
209.11850	7.4
256.45700	3.8
328.66647	3.4
416.66849	3.9
430.33496	3.7
592.50726	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	618.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
73.00301	68.4
76.42286	77.1
77.93002	80.3
80.18779	70.7
88.12632	88.5
95.93578	73.4
122.02490	100.0
160.70660	73.5
170.20432	81.5
175.36798	78.3
439.97797	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94855	25.7
55.12687	30.9
69.53576	100.0
82.08232	29.0
98.22665	47.3
122.02466	73.7
212.93105	35.4
273.17151	32.9
325.26074	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	618.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52232	1.2
59.01387	100.0
78.32999	1.2
121.02972	22.6
122.02498	74.9
134.69720	1.1
135.04454	1.5
151.91571	1.2
156.70728	1.4
204.38426	1.2
558.25189	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	618.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79139	1.2
58.02977	3.7
58.67603	1.2
59.01370	2.9
61.98843	3.0
70.02976	9.0
71.01375	1.6
71.23304	1.3
72.00910	6.3
73.04064	1.7
74.02110	1.6
74.02488	21.8
82.03003	2.5
82.06634	4.1
84.00494	1.3
86.02482	2.3
96.00929	31.0
96.03286	1.4
96.04523	1.7
98.02486	17.7
99.00859	1.9
99.05645	17.4
104.03555	22.9
109.01717	3.8
110.02474	4.9
111.00898	7.5
113.03643	1.6
114.01999	7.1
121.04114	1.7
123.03280	3.6
126.60479	1.3
127.05141	9.6
129.10353	5.3
130.08768	10.2
135.04550	1.9
138.09267	3.6
139.08781	12.2
140.07213	3.8
141.06715	14.0
143.11972	10.3
144.12129	1.3
145.03040	1.9
147.05980	5.2
153.10356	4.7
155.08276	2.0
155.11942	10.3
162.09308	3.0
165.10403	2.3
166.08780	16.9
167.08223	1.5
169.09880	4.2
171.11470	3.3
180.10298	2.4
181.09831	5.6
183.11287	1.9
185.09340	1.6
187.10895	6.3
189.07059	23.0
200.14212	2.8
201.14241	2.0
205.09789	1.8
206.08319	1.9
208.13513	1.5
209.09268	2.9
225.16170	11.8
226.10464	1.6
235.18147	2.4
236.16577	1.6
256.20349	2.4
259.79300	1.2
260.15009	1.4
261.16086	1.5
268.20300	1.4
269.30508	1.3
279.17169	1.8
286.08698	3.1
304.09680	2.2
305.18771	2.0
322.21231	2.8
323.16089	6.8
336.19281	8.6
348.19376	18.4
353.10486	1.5
354.10638	3.9
366.20276	9.1
380.18311	13.5
392.18448	2.6
398.19199	1.7
402.16885	1.5
410.19330	65.6
411.19675	2.5
428.20560	7.0
513.23712	3.1
570.26093	4.2
575.16803	1.3
600.27148	100.0
601.27509	7.4
617.36682	6.9
618.28088	54.1
618.37085	25.8
619.28467	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	619.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69809	1.5
61.98832	1.6
65.00314	2.8
65.99843	3.8
68.99854	1.5
70.15613	4.3
120.00896	3.7
134.02483	1.7
140.05016	1.8
143.05063	1.9
148.00443	1.6
154.42722	1.5
156.04568	2.2
158.02440	3.0
162.65027	1.6
168.04529	1.7
171.04539	4.9
174.01996	2.0
175.99881	4.1
180.04547	3.1
184.04027	5.4
208.04057	6.7
212.03537	2.9
224.03606	2.2
226.04904	1.5
228.02985	4.3
236.03577	3.5
250.05154	2.1
252.03027	6.8
255.04027	3.2
255.06531	3.5
256.02515	4.1
268.02600	2.0
268.06039	2.5
270.07990	1.6
278.00967	1.7
278.04410	2.1
280.02545	10.7
280.06158	9.3
296.01956	4.9
296.05295	2.7
306.07889	1.6
323.03149	20.8
324.01517	3.7
332.09213	8.3
342.07541	1.9
356.09351	7.6
360.08746	14.4
365.04147	2.2
384.08752	12.1
400.08200	6.4
403.09232	5.4
426.09839	2.1
427.09375	97.4
428.07794	16.1
454.05981	2.9
469.10452	21.8
471.08362	19.5
504.14627	4.7
532.14020	26.4
575.14642	51.8
576.14545	2.8
619.13562	100.0
620.13525	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	619.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00313	2.9
65.10773	1.1
65.99834	3.4
68.99828	1.6
69.07688	7.1
70.88620	0.9
98.21893	2.4
104.05116	1.2
118.02928	1.6
120.00924	2.7
140.05070	2.5
143.04971	1.0
148.00372	2.1
156.04544	2.2
158.02467	2.5
164.05081	2.1
168.04568	2.3
171.04506	4.1
173.03589	2.1
174.01920	1.5
175.99904	3.7
180.04666	1.7
184.04044	6.2
185.03470	1.6
186.01936	1.4
188.40977	1.1
196.04095	1.1
198.05658	1.2
200.03525	1.6
208.04045	8.7
211.05200	1.5
212.03532	3.7
223.05130	1.3
224.03580	3.0
226.05061	1.7
228.03024	3.0
236.03491	3.1
252.03040	10.4
252.06628	3.7
255.04100	3.7
255.06641	3.6
256.02444	2.1
267.04221	2.1
268.02866	1.1
268.06390	1.4
278.00790	1.4
279.04233	1.7
280.02509	8.1
280.06122	10.2
282.00424	1.2
295.03793	1.5
296.01929	4.3
296.05380	1.7
306.00296	1.2
306.07605	2.0
314.08197	3.2
316.09744	1.7
323.03116	24.2
324.01462	3.2
332.09262	6.6
340.09937	1.3
342.07632	2.4
349.99301	1.2
356.09274	9.4
357.09296	1.2
360.08752	16.4
365.04111	3.0
374.28320	1.3
384.08817	14.2
385.08319	2.0
386.06564	1.2
398.10294	3.0
400.08234	5.5
401.08063	1.3
403.09390	6.9
410.06531	1.9
426.09387	1.9
427.09357	100.0
428.07816	17.4
454.05356	1.8
469.10349	20.7
471.08328	20.0
472.08569	1.6
504.14630	5.8
532.13995	24.6
533.14221	2.2
575.14673	55.8
576.14960	3.7
619.13617	95.2
620.13806	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	619.2036
Annotation	Dracunculifoside N
Peak:m/z	Relative Intensity
59.01386	7.2
65.00350	0.2
66.46723	0.2
69.18853	1.4
71.01390	2.6
72.99364	0.3
73.02949	4.3
83.01397	0.5
85.02962	0.9
89.02460	2.0
89.03990	0.4
91.05539	0.4
99.00891	8.1
101.02452	1.5
102.99701	0.2
104.02670	0.2
105.03486	0.3
106.04283	0.5
107.05026	2.6
113.02445	1.3
117.03478	1.6
119.03556	0.5
123.70715	0.2
131.03513	0.9
132.02184	1.0
133.01930	0.5
133.02972	17.2
134.03764	9.1
135.04539	100.0
136.04868	1.7
142.30125	0.2
149.04568	1.0
161.02461	48.7
162.02788	1.0
164.39738	0.2
175.04041	0.3
179.03511	75.1
180.03894	1.3
191.05634	1.7
203.05713	0.5
259.07431	0.2
291.39734	0.3
397.15115	0.3
415.16049	0.3
457.17169	1.2
472.52887	0.3
559.18115	0.3
577.19067	1.9
619.20343	28.4
620.20483	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	619.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24151	0.1
52.61695	0.1
55.01896	0.2
57.03461	0.2
59.01387	6.3
60.04952	0.1
61.98843	0.2
69.03454	0.1
69.07982	0.1
69.89811	0.3
71.01385	2.4
72.01753	0.1
72.99314	0.4
73.02959	1.6
75.00900	0.1
83.01404	0.5
84.14806	0.1
85.02955	1.4
87.00913	0.2
89.02471	0.4
89.03978	2.1
95.01392	0.3
97.02961	0.3
99.00338	0.1
99.00899	0.7
101.02447	2.0
106.04257	0.5
107.05061	0.1
113.02461	1.4
114.00300	0.1
117.03477	5.6
118.03811	0.2
119.05051	0.5
122.02494	2.3
123.02847	0.2
125.02442	0.2
131.03520	0.1
132.02199	3.3
133.02995	0.3
134.03757	84.9
135.04022	1.4
136.03981	0.1
137.02446	0.3
139.04028	0.2
143.03496	0.2
147.04491	0.1
149.06099	7.3
150.06427	0.2
159.03006	0.2
160.01678	10.4
161.02058	0.3
161.04570	1.2
175.04027	13.0
176.04382	0.2
178.02701	1.4
179.03342	0.1
193.05075	100.0
194.05429	2.0
203.07233	0.1
209.11914	0.2
216.81645	0.2
239.30910	0.1
269.10406	1.0
383.13483	1.1
401.14481	0.4
409.20700	0.2
425.14517	0.3
443.15451	1.3
575.25177	0.2
619.20264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.2
61.98841	2.0
69.10314	4.1
69.10726	6.6
71.01389	6.1
73.02953	3.3
73.55813	1.3
85.02973	2.3
89.02462	4.5
99.00900	7.6
101.02462	2.2
107.05047	3.0
113.02477	5.4
117.03481	2.8
119.05068	4.3
133.02966	19.3
134.03760	11.0
135.04533	100.0
136.04921	3.0
136.98842	1.5
161.02470	46.7
174.90837	1.5
175.04062	5.7
179.03522	63.1
183.01271	2.2
190.06392	2.8
260.52383	1.6
300.02792	6.7
315.05118	7.3
371.15027	4.9
486.28412	2.0
559.18231	5.3
575.25336	5.2
577.19299	15.0
601.21973	2.4
619.20251	23.8
619.29425	2.9
620.21063	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	619.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50741	0.4
55.23217	0.4
59.01382	9.5
60.45586	0.4
69.18718	2.5
71.01385	4.2
73.02950	1.7
81.07100	7.4
83.05040	1.4
85.02953	1.1
89.02453	4.5
90.85128	0.4
93.03464	0.6
94.04240	1.2
95.01393	0.5
95.05047	0.9
96.96018	0.6
100.58530	0.4
101.02438	2.6
103.20477	0.4
109.06603	5.7
113.02470	2.5
119.03514	1.7
119.74400	0.4
121.02924	0.4
123.04536	18.6
127.07667	12.4
127.49651	0.4
138.03250	6.9
141.12926	0.4
143.03487	0.8
149.04707	0.4
153.05591	100.0
154.05945	1.3
161.04578	1.7
171.06635	11.8
179.05614	1.6
230.21005	0.4
285.09772	0.7
342.47134	0.4
439.16101	41.6
440.16446	1.3
515.28284	0.5
619.22314	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	619.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.4
60.01723	3.7
61.98836	100.0
62.29019	1.4
69.09832	11.6
78.95908	1.7
95.53516	1.7
121.02955	7.2
122.02486	7.1
122.03323	2.5
123.02775	2.2
133.36182	1.6
315.67368	1.7
324.58997	1.6
526.04834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.3
61.98838	100.0
62.43911	2.5
63.55769	2.8
69.14634	19.7
69.32061	2.4
69.90524	2.4
78.95896	4.5
83.85061	3.0
84.59615	2.9
96.96019	3.3
98.22620	5.9
122.02486	3.9
126.55344	2.8
165.23860	2.8
212.51904	3.0
371.40387	2.7
607.46863	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	619.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23631	4.1
55.01400	3.8
57.96483	3.2
59.01379	32.2
60.99318	4.4
61.98836	5.7
67.04633	3.2
69.15829	2.9
71.01389	23.8
71.34657	2.9
73.02951	5.1
85.02946	7.5
86.32935	3.2
88.98824	33.9
89.02471	17.4
89.87517	2.8
101.02456	21.5
113.02450	9.2
119.03558	5.2
119.05035	4.3
119.40083	3.1
125.02518	5.4
129.92012	3.2
130.84230	3.3
135.04593	5.4
161.02516	5.6
163.98878	3.3
179.03677	3.6
216.04295	3.6
300.34119	3.7
357.23776	3.3
421.20935	25.5
583.26068	100.0
619.23907	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	619.2563
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
71.43182	10.7
98.22362	9.4
113.59897	7.3
118.83823	7.8
141.01663	8.4
150.13834	6.9
198.66048	8.4
269.13467	7.7
282.23410	7.9
446.03342	8.1
459.18188	96.8
473.19955	10.3
518.19946	43.4
533.14124	7.1
533.21771	100.0
597.34814	7.9
619.25671	68.5
620.25739	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	619.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45110	1.3
58.56551	1.6
70.69800	2.7
75.59268	1.3
145.12660	1.5
415.15442	3.7
416.16345	7.3
453.90039	1.7
459.18320	100.0
460.18423	4.6
473.19824	14.3
474.20370	6.1
503.17218	2.9
517.19348	2.2
518.19495	39.4
518.27289	2.2
519.20331	2.9
532.21057	8.7
533.21960	58.7
534.22339	5.3
587.22864	4.5
619.25574	40.9
620.26038	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	619.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27596	3.1
54.12415	3.2
54.24786	3.7
59.01386	100.0
62.15052	3.4
71.01389	43.2
73.02953	16.8
83.01388	5.1
85.02951	12.3
89.02453	37.1
95.01398	4.5
96.96023	6.6
97.39737	3.9
99.00846	4.7
101.02444	28.7
113.02467	32.6
116.92899	4.4
119.03503	9.9
119.05009	5.6
125.00069	3.6
125.02426	4.5
131.03529	4.3
134.03810	4.2
143.03532	5.5
158.13631	3.9
161.04594	4.6
178.19795	3.9
179.05635	8.5
201.73370	3.8
242.54495	4.0
261.75992	4.2
340.27667	3.7
379.08307	5.0
515.24805	11.4
533.25879	10.2
540.68060	4.4
619.17194	13.2
644.70776	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	619.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29695	3.4
50.80616	3.6
59.01385	100.0
67.54269	3.9
71.01392	37.4
71.43467	4.3
73.02953	16.1
83.56927	4.5
85.02972	11.7
89.02434	27.0
95.01394	4.4
101.02436	24.0
113.02453	27.6
119.03537	11.2
120.41160	4.3
134.46600	3.9
135.04619	4.9
148.79729	4.2
161.04596	14.2
179.05652	11.7
324.69070	4.1
371.71484	5.7
379.08493	5.7
397.14639	4.0
434.31641	4.8
497.01138	4.3
515.24750	9.9
533.26038	8.3
619.17169	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	619.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13353	0.6
59.01385	49.4
60.01729	0.9
61.98837	3.4
69.07141	2.7
69.07568	1.6
75.87856	0.8
76.31260	0.6
78.03485	2.9
89.31094	0.6
90.51702	0.6
92.03350	0.6
98.22633	1.3
111.51099	0.7
122.02495	100.0
123.02837	1.7
152.31915	0.8
197.48422	0.7
259.63129	0.7
303.44467	0.6
363.38727	0.7
458.57510	0.6
524.50702	0.6
556.72394	0.7
559.24597	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	619.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.0
57.03479	1.1
57.68334	0.9
59.01387	100.0
60.01739	1.1
69.03474	1.2
70.51785	0.7
71.01388	18.1
73.02959	5.6
75.00894	1.0
77.00066	0.8
79.40935	1.0
83.01402	1.9
85.02971	6.6
89.02464	3.1
95.01440	1.6
96.96059	1.1
97.03000	1.6
99.00911	1.8
101.02455	11.4
109.06609	1.1
113.02464	7.2
125.02467	1.8
143.03561	3.4
159.03011	1.3
161.04601	6.4
209.47012	1.0
231.93645	1.0
300.02832	1.4
307.22879	2.1
319.22809	3.0
337.23810	7.0
463.27020	1.6
481.28046	4.1
499.29156	30.6
500.29517	2.3
517.30304	10.4
559.31232	4.1
619.11951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	0.4
61.05571	0.4
65.00334	2.5
65.99851	1.4
67.03014	0.8
68.41244	0.4
68.99823	1.6
71.40681	0.7
96.00896	0.4
98.02496	0.4
104.05066	0.7
105.10034	0.4
107.00141	1.1
107.02524	1.3
107.06174	4.5
108.00945	0.4
109.01711	1.0
111.00903	0.6
120.00927	1.3
121.01733	1.3
133.04085	5.0
136.00417	0.6
137.01212	0.5
141.07164	0.7
143.05067	0.6
145.02928	0.6
145.06676	0.5
146.02481	0.6
147.03206	0.5
148.04105	2.4
149.07216	3.1
156.08200	4.9
157.06512	0.5
164.03568	0.6
165.00681	5.6
166.06676	0.4
169.06601	1.1
171.04533	3.9
173.06091	1.0
175.02768	0.7
180.08220	3.5
181.06593	0.5
182.09750	0.8
184.05272	0.5
184.07709	2.7
185.06157	0.6
190.01469	2.1
197.06154	0.5
198.09270	1.1
203.02219	0.8
206.09787	1.7
208.07727	1.4
209.06136	0.5
216.03014	0.8
220.07608	0.7
222.09364	1.2
224.07156	1.1
226.08737	6.2
228.06621	0.5
232.07834	0.6
239.05919	0.7
241.05002	0.9
241.07365	0.5
242.08214	2.1
243.06670	0.8
248.07446	0.5
250.08745	4.6
252.06689	1.8
254.05817	0.7
262.08810	0.9
266.04562	0.7
266.08273	0.5
267.05530	1.2
268.06107	1.8
269.04535	0.7
269.06937	4.1
270.07733	5.8
276.06781	0.6
276.10040	0.4
278.04654	0.7
292.06390	0.6
294.07755	9.0
307.08618	1.5
310.10992	1.4
312.13919	1.0
320.09308	0.6
327.32028	0.5
328.13525	0.4
336.13635	0.4
352.13345	0.6
354.14975	0.7
356.08438	0.5
356.12906	1.1
357.11426	0.5
380.12982	2.8
382.10873	1.5
398.13992	100.0
399.14316	6.4
415.11880	0.7
422.14093	0.7
466.12787	0.7
494.12674	0.9
514.16809	0.8
532.18805	18.9
533.19098	1.7
576.17566	0.7
620.16620	4.9
621.17572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95691	1.2
57.01537	1.2
59.01386	2.9
59.14166	1.5
60.63578	1.2
65.00316	7.4
69.73841	1.4
71.40640	1.5
72.04546	6.6
73.95718	1.3
82.02988	3.4
83.01385	1.8
85.02979	1.7
87.00897	9.4
93.03462	2.6
95.88515	1.5
96.99355	1.9
98.02489	25.6
98.06133	9.4
99.00891	1.8
100.04088	2.3
110.00088	2.8
111.00889	6.9
116.03550	36.1
121.02979	1.8
124.01640	2.0
124.04052	4.6
125.02442	2.4
135.04520	2.1
136.98827	12.1
137.02480	11.3
142.05109	36.8
143.05075	1.6
145.06601	2.0
147.04514	3.7
157.06589	2.9
161.02448	1.8
164.98300	4.3
165.99016	1.5
169.06584	3.1
171.04593	9.5
173.06088	19.1
181.06567	1.7
197.06142	3.2
199.07613	4.5
203.55621	1.3
204.05141	52.8
225.05598	2.1
241.05092	40.3
242.05705	1.3
243.06644	57.5
244.07005	2.1
265.57877	1.4
267.06812	2.1
268.03604	1.8
269.04575	100.0
270.05124	4.4
325.12082	2.5
329.11719	2.6
353.11755	6.0
371.13086	4.7
397.10773	7.7
415.11917	83.5
416.12119	5.9
559.41443	1.8
625.33453	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	620.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88590	0.4
56.28278	0.4
59.01384	3.5
61.98833	100.0
66.91489	0.4
69.55445	1.7
76.57661	0.6
79.51402	0.4
96.61154	0.4
98.10255	0.5
122.02488	4.5
123.02821	1.7
124.02948	0.8
146.13905	0.4
180.84920	0.5
292.49255	0.4
305.58575	0.5
345.42075	0.5
435.81479	0.5
628.91858	0.6
629.65472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18581	0.7
51.83493	0.6
53.36076	0.7
60.40586	0.7
62.96407	1.4
70.61800	0.8
70.62113	0.8
74.96429	8.4
77.73521	0.8
78.95913	3.4
79.70222	0.8
109.02967	1.9
110.94115	57.0
112.93791	3.8
126.93569	1.0
133.02953	7.2
136.38864	0.6
148.55659	0.8
162.24211	0.7
165.01913	2.8
168.94647	8.6
204.92302	100.0
206.92009	4.2
208.91695	1.0
297.07724	1.8
327.08804	1.5
353.10239	4.0
371.11362	16.6
415.10464	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	621.1103
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03450	2.7
59.01384	16.2
59.01662	1.0
62.53323	0.4
67.01913	2.2
69.03467	1.0
69.25919	2.8
71.01389	17.4
72.99315	14.8
72.99699	0.8
73.02949	5.5
75.00879	20.7
83.01422	2.1
85.02958	24.5
87.00876	4.7
89.02454	4.9
89.29174	0.5
95.01391	4.6
97.02971	1.8
99.00890	20.5
101.02457	4.3
101.03994	0.5
103.00388	5.2
111.00909	1.1
113.02460	31.5
115.00401	2.2
117.01968	1.6
129.01976	2.1
131.03535	3.1
133.01460	1.2
135.04591	0.9
139.00381	1.4
151.04071	0.6
157.01422	3.5
161.02454	2.2
163.00346	1.1
167.03613	0.6
169.06602	2.9
171.04526	5.0
173.04642	0.9
173.06087	1.2
175.02493	4.9
179.03557	1.4
181.06560	1.3
183.04555	0.6
185.06166	0.6
193.03543	16.9
196.72655	0.5
197.06108	8.0
199.04041	1.5
201.05615	0.6
213.05592	1.8
223.04120	1.1
224.04593	0.8
225.05612	3.4
235.04628	2.1
239.03526	2.2
240.04279	1.1
241.05084	1.7
253.05032	0.7
267.03052	2.9
268.03778	5.8
269.04562	81.5
270.04846	2.8
274.00168	0.5
275.04077	0.7
291.03668	0.5
298.04599	0.5
307.06732	1.8
309.03964	0.9
333.04608	0.6
342.01535	0.6
351.05704	100.0
352.06082	3.9
383.07553	2.0
445.07724	13.1
541.21069	1.3
559.10773	1.5
621.10828	23.5
622.11322	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	621.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74138	2.9
59.01382	14.6
60.99308	12.7
61.90559	3.3
65.00328	4.9
68.09818	3.0
78.86197	2.8
88.98813	100.0
88.99365	5.0
105.05254	3.2
118.96717	3.0
135.04515	5.5
136.98857	5.0
149.02449	9.4
161.02454	9.0
164.04848	6.1
164.98338	6.9
179.03528	9.3
223.06116	13.0
239.03279	3.1
241.05151	4.0
268.03897	6.6
269.04535	32.3
283.06281	4.3
284.03180	5.9
374.03885	3.4
621.18262	4.1
621.28790	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	621.1104
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
55.01865	0.7
57.03441	2.5
59.01384	19.4
63.02411	0.7
65.00333	3.6
65.29182	0.4
67.01883	0.6
68.99815	0.6
69.57632	2.2
71.01385	19.3
72.99306	1.4
73.02943	2.1
73.95690	0.5
75.00874	2.3
81.03462	0.5
82.95414	1.3
83.01397	3.3
84.02200	0.8
84.62222	0.5
85.02956	23.5
87.00889	3.7
89.01946	0.6
89.02457	7.9
95.01396	7.7
96.96069	0.6
98.21949	1.0
99.00877	5.2
101.02468	4.1
103.00371	2.2
103.03976	0.6
107.01401	6.5
111.00861	0.8
113.02458	49.2
117.01935	2.0
117.03511	1.3
118.97269	0.6
119.03514	1.8
121.45685	0.4
125.02481	0.7
125.57718	0.5
127.03995	0.8
129.01955	1.0
131.03516	0.6
132.26054	0.5
134.03745	2.5
135.04541	0.9
143.03479	0.9
145.05084	0.8
149.02449	0.7
149.06102	1.3
151.00394	24.6
151.03972	0.7
157.06578	1.1
159.04489	1.6
161.02409	1.5
161.04578	3.4
163.06111	1.2
169.06540	0.5
175.02492	13.7
175.20747	0.5
179.05659	0.6
181.06590	0.5
183.04500	1.5
185.02539	1.3
189.95471	0.5
192.45157	0.4
197.06084	0.8
201.05678	2.5
205.07182	2.5
225.05579	4.6
227.03487	0.7
251.03430	0.8
269.04556	100.0
270.04968	3.4
311.05386	0.8
329.12579	0.6
336.18756	0.6
445.07751	31.9
446.07907	1.7
475.18277	4.3
614.75928	0.5
621.24054	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	621.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
57.57007	0.9
58.48634	0.8
59.01384	15.5
61.15398	0.8
62.77478	1.1
69.10737	4.2
69.11147	1.6
71.01392	11.2
72.99303	3.9
73.02953	2.7
75.00878	21.6
82.53171	0.9
83.01404	1.3
85.02959	12.4
87.00887	3.2
89.02456	9.1
95.01410	1.4
98.22641	1.6
99.00890	28.8
101.02441	6.5
110.00102	2.3
111.00909	2.7
113.02450	18.6
119.01424	1.2
119.03519	3.1
129.01962	7.2
133.03024	1.1
135.04477	1.0
139.00380	5.3
144.29944	1.1
157.01430	4.0
161.02437	3.3
161.04614	2.3
163.00392	11.3
165.99104	2.8
171.04532	1.5
179.05615	3.9
184.05283	2.4
190.51953	0.9
196.05348	1.5
198.03197	1.9
211.04109	1.1
221.06737	5.9
224.04810	1.7
239.03543	3.3
240.04201	1.4
255.06641	2.8
267.02972	2.8
268.03787	100.0
269.04391	5.2
279.07095	1.4
283.06140	68.5
284.06625	1.6
337.07700	3.1
351.05704	1.6
384.69595	0.9
545.20813	1.0
621.18597	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36731	1.2
61.80431	1.2
63.70697	1.2
65.00321	2.4
65.99831	1.9
69.95776	1.5
69.96102	2.0
79.03769	1.4
81.03454	4.4
81.71007	1.2
105.03436	1.6
107.05074	1.3
108.04581	7.7
109.02962	15.5
110.02486	3.9
121.01692	1.3
121.02944	1.4
123.03255	3.1
123.04524	3.3
133.02946	1.3
134.02489	8.1
134.27826	1.3
135.00935	1.3
135.03291	5.6
135.95296	1.1
136.00417	3.6
142.06870	1.2
148.04045	2.2
149.02484	1.8
149.96452	1.5
150.05629	10.2
151.02745	4.8
151.04025	7.2
152.03561	3.1
160.23491	1.2
165.00690	3.8
171.04532	2.8
176.03535	3.9
177.01958	13.1
178.01453	4.3
179.65842	1.2
184.07600	1.8
188.44884	1.2
192.03050	3.9
194.04616	10.7
196.02431	1.8
198.05708	1.3
200.07146	1.6
207.08177	3.8
220.02518	2.2
226.08762	2.9
226.62328	1.2
235.07671	3.2
237.09233	1.5
238.03542	10.6
239.03625	1.3
242.08240	41.3
252.06633	2.6
253.04915	1.3
255.06671	3.7
262.06213	1.4
262.08826	1.7
263.07156	3.5
264.07922	16.5
265.08450	1.9
268.06250	1.9
269.06833	1.7
270.07733	100.0
271.08047	2.5
274.08752	2.0
278.04684	4.3
280.77621	1.4
294.07687	2.1
301.26157	1.3
305.08084	2.1
306.07767	10.5
307.08539	16.4
308.09198	2.9
344.09305	1.7
351.07559	5.9
368.08887	1.4
382.11005	3.2
398.14111	8.2
399.09808	2.0
416.09857	1.8
417.10971	4.4
474.13489	3.6
490.16589	10.2
516.14807	9.5
517.14056	1.8
519.13422	1.9
533.17212	12.3
535.15100	3.0
559.15198	2.8
577.16095	21.4
578.16382	1.4
579.04364	1.4
621.15131	30.8
622.15448	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
60.32041	0.8
65.00332	16.3
67.01904	2.0
68.99828	1.2
69.88717	1.0
69.89055	2.0
71.01391	1.5
73.02956	2.9
74.30437	0.8
78.20254	0.9
88.98818	1.9
92.99825	2.8
96.99310	4.3
97.04063	0.9
99.04538	1.4
105.04628	1.7
107.02526	6.3
108.99358	1.2
109.04088	2.0
111.00864	1.0
113.02444	1.2
117.01942	1.7
119.05063	1.0
120.99371	1.8
121.02967	4.9
129.04616	1.4
133.02982	2.7
133.04085	5.7
135.01060	1.0
135.02028	4.0
135.04558	4.4
136.98817	17.1
141.04597	3.9
141.07126	1.4
143.03622	1.3
143.05034	1.1
145.06589	1.4
147.04608	1.0
149.02454	17.5
151.04097	1.4
152.01167	0.9
157.04091	4.7
161.02466	8.5
163.01471	0.9
164.04817	11.8
164.98299	30.7
169.06535	1.3
171.04536	5.3
173.06091	3.6
175.00418	1.9
175.05154	1.0
177.03178	1.6
177.99138	2.2
179.03471	5.1
183.05721	1.3
185.03551	2.1
199.04005	2.5
201.03062	4.3
205.03531	2.5
208.03810	2.8
213.05630	2.4
215.07091	1.7
217.06178	1.5
223.06128	24.6
225.05647	1.6
227.01140	2.0
229.02510	2.6
241.05084	13.8
243.06615	2.3
263.08044	1.1
269.04565	100.0
270.04901	3.9
277.05054	7.8
283.06250	1.3
289.09869	3.1
305.09332	3.5
315.07758	0.9
321.99445	0.9
333.08786	7.1
351.09775	11.7
415.12250	2.0
621.16730	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	621.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85536	0.7
59.01382	4.2
63.94907	0.4
66.69613	0.5
69.11288	1.2
69.11691	2.7
70.94386	0.4
71.01382	1.7
73.02951	1.1
91.91608	0.6
93.03468	35.1
98.99045	0.5
99.00889	1.0
101.02486	0.7
135.04533	0.6
137.02460	100.0
138.02773	1.0
155.98604	0.5
156.98956	0.5
157.98289	0.5
170.63683	0.5
183.60811	0.5
192.04683	0.5
298.07819	0.5
304.45450	0.5
339.10696	0.5
360.71912	0.5
577.19232	3.0
577.32208	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
61.98834	3.9
65.03958	1.0
69.37188	1.8
69.37581	1.4
71.01349	1.1
73.28109	0.7
93.03466	63.3
94.03763	0.8
94.21827	0.7
119.05043	2.9
135.04529	2.5
137.02457	100.0
155.84958	0.9
182.02318	1.0
195.34135	0.8
280.23853	0.8
332.19296	1.1
374.46265	0.8
458.72290	0.9
566.72009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.2
68.11205	0.7
71.01372	1.2
85.02929	1.0
95.01370	1.0
96.96012	1.2
98.21860	1.1
101.02456	0.8
109.02965	2.7
119.05035	0.9
123.00913	3.4
125.02451	1.1
137.02463	9.4
149.02452	1.9
150.03270	0.8
151.00392	21.2
151.04036	1.5
152.01117	1.8
152.04822	3.8
164.04825	1.5
165.01843	0.8
166.02725	65.3
167.03525	3.9
175.03961	1.1
177.01999	3.0
177.05542	0.7
179.07037	0.7
181.05081	73.7
182.05460	1.0
187.78406	0.7
190.02721	2.1
190.06490	0.9
191.03467	0.9
192.04265	1.4
193.05037	1.0
205.05087	1.1
205.08652	1.3
359.11469	1.8
387.10852	16.5
388.11295	1.0
402.13284	6.5
402.27054	0.7
417.15582	100.0
418.15991	4.7
583.25940	3.7
585.26544	0.8
621.22595	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	621.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75691	0.3
56.84501	0.3
59.01388	4.5
59.69839	0.4
61.98842	0.6
69.12099	1.3
69.12529	1.4
71.01392	3.1
73.02955	1.1
74.11721	0.4
81.78293	0.4
85.02969	1.4
89.02466	2.3
93.03481	2.0
99.00884	3.6
101.02477	1.1
113.02451	2.5
117.03496	0.6
119.01396	0.8
119.03459	0.5
119.05048	0.8
121.02962	9.0
126.90775	0.4
130.47676	0.4
131.03479	0.4
132.02170	0.8
136.36955	0.4
137.02448	3.3
147.00916	0.4
147.04515	2.9
149.02458	53.8
150.02777	1.1
163.04068	0.6
164.04810	45.8
165.05161	1.1
175.00374	4.0
179.07137	4.6
181.12753	0.4
190.02740	8.0
191.05608	0.6
205.05077	10.1
208.03773	2.0
223.06131	100.0
224.06516	3.2
243.30399	0.3
269.32507	0.4
294.78336	0.5
364.75266	0.5
397.15030	0.8
415.16083	0.5
518.85742	0.4
616.12018	0.4
621.21515	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	621.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.84779	1.3
61.98828	2.0
69.76972	4.9
71.01402	3.8
73.55038	1.5
81.03340	1.2
83.01405	1.6
85.02943	2.4
87.04524	2.4
96.96026	1.8
99.05704	1.3
101.02454	1.8
104.89645	1.2
109.02945	1.7
111.00908	1.3
113.02451	4.4
117.03448	2.1
119.05078	2.6
123.04516	4.6
125.02449	1.5
128.03537	1.7
130.98959	1.3
133.02971	15.3
133.85094	1.6
134.03741	2.4
135.04533	24.9
140.01196	6.6
143.04643	3.7
145.25766	1.4
149.02408	3.1
150.03235	3.2
151.04042	6.5
153.01921	1.3
155.03525	14.1
161.02464	51.0
161.04482	2.3
164.04739	2.0
165.00221	2.2
167.01750	4.0
168.00635	4.2
175.00386	1.7
175.04031	2.3
179.03511	33.6
181.01468	1.5
190.02589	1.6
192.99649	28.0
196.07115	1.2
205.02896	4.4
205.04924	2.1
206.03261	1.8
207.02678	1.5
223.06148	2.1
251.06972	1.4
252.02965	3.2
253.03122	2.7
254.02563	1.8
257.04465	2.5
272.08939	4.5
279.06528	2.5
281.08481	1.7
294.08890	2.6
295.08966	1.4
297.07715	3.6
309.07785	3.6
309.11407	9.5
312.10056	4.6
316.00446	3.0
324.10043	3.9
327.12283	15.8
334.01447	1.5
339.12378	16.7
343.11667	1.9
349.03891	29.5
381.13141	1.7
385.70169	1.5
417.15314	3.1
421.08643	2.1
451.83585	1.4
459.15024	3.8
487.14850	1.5
541.61444	1.4
621.18347	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	621.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98832	6.3
68.20434	0.7
69.43129	1.8
69.43521	1.3
71.01392	1.7
75.55730	0.6
78.95901	0.8
82.31927	0.6
82.95414	1.0
89.02460	0.8
98.22662	1.5
101.02453	0.9
105.03479	0.7
113.02478	1.1
119.05036	1.1
145.03000	2.6
161.02490	0.9
161.04697	1.0
167.03600	1.0
179.07152	0.9
181.06505	0.8
192.90421	0.9
200.82468	0.7
209.04678	1.2
233.06209	0.7
235.07716	1.3
248.96822	1.4
253.08794	1.0
263.07245	3.8
267.69022	1.0
275.07288	1.2
276.07855	0.9
280.07413	0.8
281.08249	7.9
291.06812	2.6
293.08337	3.1
296.10587	1.5
307.09940	0.9
308.07474	0.7
308.10712	3.3
309.04138	1.7
309.07715	35.7
310.08017	1.9
323.09445	2.7
324.10049	26.5
325.10519	1.2
339.12372	83.3
340.12820	3.0
566.77515	0.8
589.24750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35223	0.8
61.98836	100.0
69.09083	5.9
72.44958	0.8
79.06265	0.8
92.41189	0.9
122.02441	0.9
148.31244	0.8
264.17010	0.9
397.85266	0.8
463.20117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36522	1.1
50.38467	0.9
59.01384	100.0
64.96062	1.1
69.47150	1.4
69.47546	3.8
78.95878	1.5
83.27016	1.0
98.22546	2.2
102.95701	1.3
103.01507	79.1
103.86490	1.0
109.02941	2.6
120.25861	0.9
151.04013	2.2
159.97580	1.2
222.64246	1.1
242.08247	2.3
264.07870	1.3
270.07779	8.8
271.07999	2.6
324.86856	1.1
355.17041	1.1
575.58533	1.1
578.16125	1.2
622.14850	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	622.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40105	0.5
53.20520	0.4
56.52530	0.5
58.79854	0.4
59.01384	100.0
65.00336	0.6
67.15838	0.5
69.06143	1.9
69.06550	1.4
75.00868	0.8
79.59009	0.4
89.61243	0.4
98.21905	1.2
102.95722	1.5
103.01505	86.9
104.01851	0.6
109.02953	1.7
134.02530	0.8
151.03990	1.0
177.02037	0.6
213.05487	0.5
238.03566	0.6
242.08276	2.3
243.08466	1.4
255.06509	0.6
264.07898	0.6
265.08432	0.7
268.06046	0.8
270.07712	6.5
271.08121	3.6
279.23395	2.4
279.25830	0.6
307.08310	1.1
308.08926	0.9
311.96481	0.5
376.39679	0.5
418.11069	0.6
491.16766	0.7
517.14630	0.8
534.16864	1.1
578.15637	1.2
622.16968	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75400	0.3
59.01379	1.3
67.12925	0.3
71.01382	1.0
75.00870	0.5
79.95732	7.6
79.96204	0.4
85.02977	0.7
89.02448	0.4
96.96020	0.6
99.00877	0.5
105.01925	0.6
109.02953	0.6
110.94111	0.5
112.93832	6.2
113.02456	1.2
119.05058	0.5
128.03558	0.3
133.02968	0.8
135.04520	0.7
140.60275	0.3
143.05042	14.3
161.36746	0.3
168.94699	0.3
171.04607	0.3
175.02496	0.4
179.03598	0.4
185.06142	0.3
187.04044	0.4
204.92265	0.3
206.92023	8.9
207.01241	100.0
208.01573	2.6
213.05576	0.6
217.05154	0.3
241.05110	0.5
257.04501	0.5
270.01852	0.5
284.03354	1.0
285.04077	11.9
286.04523	0.3
298.01459	0.3
299.02145	0.4
300.02856	0.4
313.03610	1.0
315.05142	0.6
327.08798	1.0
371.11395	3.1
372.11633	0.3
391.21564	0.3
443.06259	0.8
447.09473	1.5
461.06482	1.7
477.10419	0.6
503.08426	0.3
623.13599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03445	1.9
59.01129	0.9
59.01389	11.8
64.42110	0.5
65.00336	0.9
67.01883	1.1
68.99806	1.2
69.03461	0.8
71.01385	14.4
72.99316	12.1
73.02953	4.2
75.00877	18.7
80.05040	0.7
83.01383	1.5
85.02954	22.0
87.00886	5.1
89.02453	3.8
95.01398	3.9
96.95997	0.7
96.99291	0.6
97.02950	1.2
99.00886	22.2
99.95274	0.5
101.02457	2.8
103.00372	3.2
108.02188	1.1
109.26899	0.5
110.87753	0.5
111.00901	1.6
113.02463	30.2
115.00391	1.7
117.01956	1.4
124.01689	3.0
125.02425	0.5
129.01949	2.0
131.03520	3.6
133.01390	0.7
133.03000	3.1
135.04520	1.6
136.01630	0.6
136.98808	0.8
139.00389	4.0
152.01183	2.7
157.01469	2.9
161.02455	8.3
173.06110	1.1
175.02498	6.0
186.14970	0.6
193.03555	11.1
197.06165	0.6
205.05397	0.5
225.05611	1.0
227.07123	0.8
235.04626	1.8
243.06598	10.9
253.05052	2.1
271.06113	16.9
275.04266	0.6
351.05704	100.0
352.06049	1.9
461.16437	0.7
579.27618	1.3
623.12091	3.0
623.20538	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	623.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50489	0.5
57.03455	0.6
59.01392	3.5
71.01376	2.1
71.41486	0.6
74.64744	0.5
76.79879	0.6
79.95749	6.5
84.95114	0.9
85.02944	2.6
89.02451	1.4
93.03477	0.8
95.01385	2.9
96.96024	7.5
96.96982	0.7
99.00912	0.9
101.02424	1.0
107.01382	0.7
110.00135	0.7
111.00896	8.0
113.02465	4.8
117.03447	0.7
119.05018	3.4
121.03010	0.5
123.00889	1.5
123.04509	1.2
125.02441	1.7
133.02969	6.7
135.04541	4.6
136.98816	1.2
137.02455	1.0
139.00415	8.3
151.00386	2.5
161.02457	18.1
164.98299	1.7
165.01938	1.0
165.99002	0.6
166.99863	2.9
167.03540	0.6
169.06546	0.7
171.04439	0.8
173.06129	0.7
175.02504	0.8
175.03946	0.6
179.03589	0.6
185.06119	0.9
187.04149	0.5
189.48817	0.7
192.00699	1.3
193.05077	0.8
211.04094	0.5
213.05537	0.8
217.04974	0.8
220.09700	0.6
223.04018	2.1
225.01944	0.9
236.43097	0.6
236.97882	3.4
237.48103	1.2
239.03508	0.6
241.05046	0.7
255.03372	0.7
284.03311	1.1
285.04071	100.0
286.04584	3.0
299.02005	2.9
300.02869	1.7
301.03476	1.4
314.04349	1.0
315.05072	2.4
316.05621	0.8
341.48169	0.5
356.23395	0.5
395.00516	4.0
396.01193	1.3
443.06128	3.1
447.09344	6.6
461.07254	6.2
461.16785	2.5
623.12408	5.8
623.21356	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	623.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35796	1.0
57.03446	2.1
59.01386	10.3
65.00320	1.5
68.63963	1.1
68.99814	1.3
71.01395	14.3
72.99323	10.0
73.02949	6.0
75.00880	17.0
83.01398	2.6
85.02958	20.6
87.00899	4.6
89.02473	3.6
95.01398	3.4
97.02943	1.6
98.21793	1.9
99.00893	22.0
101.02455	4.3
103.00383	3.6
111.00880	2.6
113.02464	31.9
115.00391	2.3
117.01945	1.7
123.80824	1.1
124.01685	2.2
129.01959	2.6
131.03560	1.7
133.01503	1.4
133.02962	4.4
135.04492	2.5
136.98802	1.4
139.00403	3.4
143.89557	1.0
150.27840	1.3
152.01170	2.8
157.01393	2.0
161.02452	14.6
166.99852	1.5
169.45555	1.2
175.02571	5.6
193.03526	11.0
225.05478	1.6
235.04657	2.0
243.06601	11.9
253.05002	2.2
269.04553	2.8
271.06146	19.4
351.05713	100.0
352.06036	1.9
430.29553	1.2
623.12396	4.5
623.21301	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	623.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01923	0.6
57.03460	0.5
58.22157	0.5
59.01378	5.8
60.28667	0.4
63.62872	0.4
65.00324	4.6
68.99861	0.5
70.03518	0.5
70.27142	1.0
71.01385	7.3
72.99347	1.6
73.02989	0.8
75.00885	2.7
83.01379	2.7
85.02959	12.7
85.39626	0.4
87.00887	2.3
89.02497	1.4
94.99673	0.4
95.01390	3.7
99.00886	4.6
103.00434	2.0
107.01395	9.4
107.02053	0.6
113.02455	22.3
115.00451	1.4
117.01992	1.3
117.08540	0.5
125.02520	1.0
129.02042	1.3
133.02951	2.2
146.06937	0.4
151.00377	25.9
161.02475	1.6
167.03568	0.5
175.02536	9.2
175.04039	2.1
177.01942	0.9
193.90872	0.5
198.03264	0.7
199.04056	2.1
201.01932	1.0
217.05049	1.5
241.05072	1.4
243.03058	0.7
284.03265	1.6
285.04059	100.0
286.04407	2.8
322.29651	0.5
327.05164	1.2
421.36099	0.6
443.06320	1.0
447.09326	10.8
461.07327	11.3
466.07492	0.5
503.08011	1.3
623.12299	15.8
624.12885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05003	0.4
59.01388	2.5
59.78696	0.4
61.22870	0.5
63.29327	0.4
65.00329	1.4
66.71078	0.4
69.48338	1.4
71.01382	2.3
72.99310	0.7
75.00890	0.9
85.02979	2.5
87.00885	0.9
89.02454	0.5
95.01391	1.3
99.00899	1.4
109.02934	0.6
110.00124	2.8
113.02467	2.5
117.03516	0.6
119.05029	2.1
123.00897	0.5
129.01973	0.5
136.98822	2.5
137.02440	0.5
139.00374	1.0
157.01447	0.5
157.06566	0.6
159.04434	0.6
161.02463	0.8
163.00374	1.1
164.01067	0.5
164.98270	1.4
165.01773	0.5
165.99109	3.2
167.04973	0.5
175.02521	1.0
183.02699	0.4
183.04564	0.8
185.06081	1.6
195.04579	0.6
199.03926	0.7
200.04788	1.4
201.05785	0.5
211.03993	2.1
213.05663	1.5
223.77611	0.5
227.03543	1.4
228.04205	1.0
239.03488	5.7
240.04346	1.0
241.05026	1.3
255.03058	3.1
256.03717	1.5
257.04684	0.7
267.02994	1.8
269.04697	0.7
283.02573	3.9
284.03287	39.3
285.04062	100.0
286.04327	2.8
297.04028	0.8
375.14539	0.5
381.06439	0.6
415.10196	0.5
443.06229	8.8
447.09363	51.9
448.09702	1.8
461.07312	22.3
462.07828	0.8
503.08429	1.2
623.12494	6.3
623.21545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36864	0.3
59.01381	1.7
65.00323	1.2
68.28554	0.4
69.61371	1.0
69.61720	0.7
72.99329	0.5
73.02983	0.3
75.00890	0.7
85.02960	3.0
87.00879	0.7
95.01399	1.0
99.00903	1.4
100.37013	0.3
110.00106	4.4
110.94094	0.4
112.93780	0.5
113.02460	5.1
117.01923	0.5
117.03493	1.2
119.05025	1.5
123.00898	0.4
123.04528	0.5
136.98804	1.7
137.99583	0.6
139.00380	0.5
155.05157	0.4
156.05811	0.4
157.06534	0.5
161.02472	0.5
163.00386	1.2
164.01192	0.5
164.98308	1.4
165.99080	3.7
166.99805	0.4
167.03619	0.5
167.05029	0.4
171.04536	0.6
175.02545	1.7
175.03854	0.4
183.04507	0.5
184.79150	0.3
185.06100	1.5
193.04974	0.6
195.04466	0.7
199.03958	0.5
200.04808	2.6
206.92076	0.7
211.04048	2.2
212.04919	0.6
213.05530	1.5
227.03511	2.1
228.04323	1.0
229.04781	0.4
239.03458	4.7
240.04277	0.8
241.05070	0.7
255.03014	3.3
256.03760	1.5
267.03079	2.1
268.03613	0.5
283.02545	4.1
284.03290	59.4
285.04059	79.2
286.04370	3.1
297.04028	0.9
401.14569	0.7
443.06082	0.9
447.09354	100.0
448.09659	4.7
461.07285	3.9
623.11792	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	623.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10562	0.8
51.63241	0.8
55.59177	0.9
59.01369	1.6
62.93660	0.8
69.34242	1.7
69.34634	3.7
71.01379	2.0
85.02954	1.5
92.28281	0.8
96.96010	0.9
99.15590	0.8
113.02469	1.7
116.33444	0.8
125.52980	0.8
133.02977	4.9
134.03757	2.0
135.04536	1.8
137.02432	1.1
149.02405	1.0
150.03192	0.9
161.02458	6.3
166.10603	0.8
177.01907	1.1
179.03505	1.4
191.03429	1.1
193.04935	0.9
207.67415	0.9
269.04568	1.1
283.06088	1.7
284.06598	1.0
285.04071	1.9
298.04858	2.9
299.05551	2.1
311.05643	15.0
312.06424	46.0
313.06686	2.6
323.05621	2.6
325.07248	1.0
326.07751	1.2
333.96594	0.9
338.04474	1.8
339.05139	4.8
341.06589	1.9
344.05301	1.7
351.04996	0.9
353.06693	2.2
355.08154	4.9
368.05228	2.1
369.05994	1.2
383.07751	40.8
384.07806	2.1
395.07599	3.1
398.06802	1.1
413.08820	20.7
425.08710	3.2
443.09674	1.9
447.09085	1.4
485.11176	1.5
503.12048	22.5
504.12436	1.0
533.13062	2.7
605.15356	1.4
623.16174	100.0
624.16388	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	623.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06251	1.8
65.99829	4.3
68.99825	3.3
70.14780	3.6
70.15082	2.0
88.06566	1.9
93.03455	8.4
95.01405	4.1
95.05142	1.9
96.00903	2.8
107.05022	4.0
109.02963	7.2
110.02518	2.5
111.00895	6.2
111.04530	14.6
113.04316	1.9
123.00896	2.4
123.03294	3.2
135.04572	3.8
135.43123	1.9
136.00420	5.2
136.04048	9.5
137.02458	6.4
138.02026	4.4
139.00403	10.1
150.01985	2.8
151.02882	3.3
151.04019	8.5
154.05049	5.6
160.04021	2.3
163.99915	4.3
165.00708	5.8
171.04543	4.3
176.03525	9.2
178.05101	3.0
179.03485	4.9
180.03027	9.3
187.85103	2.2
192.03003	2.8
194.04538	2.3
197.04520	2.8
202.01501	2.2
204.03032	7.1
222.04091	7.5
225.05539	5.0
226.08771	4.2
236.07002	2.8
242.08203	20.4
248.07112	3.4
249.08479	1.8
252.06653	2.9
253.05042	3.6
254.08315	2.2
255.06490	3.7
268.06223	13.0
269.06940	4.9
270.07736	36.1
276.06625	4.7
278.08289	3.2
280.06097	5.3
294.07697	4.8
296.05496	2.6
306.07669	2.6
322.07288	9.5
338.11853	2.5
352.08167	2.5
380.13013	13.8
382.10400	3.3
382.14679	5.0
390.06079	2.9
396.13519	1.9
398.14130	19.8
424.11862	3.6
450.13306	8.1
466.12827	5.8
518.16779	2.6
522.11914	33.3
523.12476	15.8
524.13574	8.7
561.17017	5.1
579.17371	3.2
605.15656	25.6
606.15350	2.6
623.16711	100.0
624.17035	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	623.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.8
62.96394	2.2
66.19759	1.2
71.01386	11.7
72.99298	4.8
73.02924	1.4
74.96439	7.4
75.00885	10.0
75.16997	1.2
76.96131	2.9
78.95907	5.4
80.50193	1.2
85.02966	9.5
87.00861	4.1
89.02444	2.1
91.01891	4.5
96.96024	2.8
98.22789	1.9
98.44296	1.4
99.00884	4.7
101.02430	2.1
108.02158	4.3
109.03000	2.7
110.93416	2.0
110.94116	26.9
111.00851	1.6
112.93825	58.6
113.02468	9.4
117.01934	1.6
123.04547	15.2
133.02983	6.5
135.04544	42.3
135.06650	1.7
151.00243	1.3
152.01163	5.2
153.01974	3.1
158.91772	1.2
167.03510	34.4
167.04906	1.8
168.94672	8.2
170.94337	4.2
175.02524	1.4
177.27521	1.2
204.90456	2.3
204.92319	40.8
205.92645	2.4
206.92018	100.0
209.04601	7.5
234.44800	1.2
237.07614	1.3
276.25293	1.2
297.07999	1.2
297.12030	1.2
353.10358	2.5
361.51334	1.2
371.11478	13.2
373.12790	1.8
399.10840	4.7
415.10681	2.0
417.11868	10.1
418.12201	1.5
433.13419	2.9
459.48929	1.3
473.15283	5.5
623.18292	83.2
624.19006	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	623.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.1
57.35233	0.4
59.01385	4.4
68.94989	0.5
69.56315	1.8
70.75854	0.5
71.01395	5.5
73.02969	0.4
83.01413	0.4
85.02961	5.6
87.90352	0.4
87.97401	0.4
89.02465	2.2
95.01408	2.0
100.99486	0.4
101.02444	0.5
105.03465	0.5
113.02466	12.2
117.03509	0.9
123.04549	1.5
125.14902	0.4
132.02223	2.3
133.02977	33.2
134.03764	0.8
135.03505	0.7
135.04546	13.8
153.05643	0.8
161.02470	100.0
162.02837	1.4
179.03519	2.9
315.10919	0.8
435.64282	0.5
461.16632	7.2
462.17181	0.4
510.83890	0.4
623.19843	28.2
624.19818	2.1
634.07794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74294	0.6
59.01389	6.9
61.30536	0.8
62.55108	0.7
69.84995	1.7
69.85331	0.9
71.01381	7.8
85.02963	6.8
89.02462	2.5
95.01406	3.5
104.96875	0.7
106.96617	0.7
113.02461	16.8
117.03486	1.1
123.04549	1.1
132.02176	2.0
133.02977	30.8
135.04532	18.1
161.02464	100.0
162.02773	1.8
179.03473	5.3
183.32094	0.7
232.62813	0.8
238.66774	0.8
315.10861	1.3
346.69720	0.8
358.56595	0.7
359.79855	0.9
385.09506	0.8
461.16745	10.5
623.19843	54.3
624.20117	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	623.1989
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
57.03436	0.9
59.01382	7.1
65.00359	0.5
71.01392	8.6
71.41464	0.7
73.02936	0.7
73.55835	0.6
74.67881	0.5
82.89790	0.5
85.02951	8.5
89.02450	3.2
95.01399	2.9
99.00883	1.5
101.02465	1.9
105.03444	1.1
108.02177	0.6
113.02461	17.4
117.03434	0.7
118.38708	0.5
119.03519	1.0
123.00929	1.0
123.04526	3.8
125.02451	1.2
126.15266	0.6
132.02173	1.9
133.02965	34.7
135.04539	18.2
139.00406	1.0
152.01100	1.1
153.05605	1.1
161.02455	100.0
162.02782	2.7
167.03493	7.1
168.03862	0.7
179.03497	5.2
181.05098	0.8
194.99376	1.0
195.19894	0.5
197.04617	0.6
227.10628	0.5
251.05658	0.7
271.05969	0.7
299.06009	1.0
299.09116	3.4
300.06143	0.7
315.10843	1.2
324.10187	0.5
329.10474	1.3
330.68671	0.6
371.51321	0.5
461.16711	10.3
503.15729	1.8
533.16302	0.8
623.19800	62.9
624.20233	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	623.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49054	0.7
56.59999	0.7
57.03442	3.0
57.26763	0.7
59.01384	31.5
69.74580	2.1
71.01385	30.4
73.02956	2.9
74.93214	0.7
83.01363	0.8
85.02959	26.0
85.03480	1.5
87.00877	3.9
89.02451	18.7
95.01395	9.5
97.02979	1.0
101.02445	9.1
104.86008	0.9
113.02458	54.2
119.03498	3.2
123.04519	4.6
125.02449	1.8
131.03514	3.7
134.03769	1.0
135.03490	1.8
135.04535	37.5
143.03491	1.5
153.05579	2.8
155.68561	0.8
160.90004	0.7
161.04578	3.1
179.05643	2.0
216.53894	0.7
221.06647	2.7
297.09946	1.8
315.10849	4.7
368.60257	0.8
427.44388	0.8
461.16669	16.3
475.26080	1.0
611.77563	0.9
623.21985	100.0
624.22339	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	623.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.3
56.67881	1.3
57.03449	3.1
57.76826	1.3
59.01385	100.0
60.01723	1.3
62.53151	1.3
65.07128	1.3
69.42186	4.2
69.42576	2.4
71.01392	36.0
73.02953	18.0
75.00871	1.9
79.18161	1.3
83.01383	8.5
85.02963	21.0
87.00863	1.5
87.41008	1.4
88.36412	1.2
89.00346	1.9
89.02465	5.3
95.01402	4.3
97.02961	5.0
98.22668	2.3
98.36747	1.3
99.00912	6.2
101.02457	25.9
112.40981	1.4
113.02470	19.4
119.05086	1.8
121.02979	21.0
125.02473	7.0
127.11332	1.6
129.74884	1.2
135.04561	1.4
138.03305	1.6
140.32039	1.4
143.03500	5.3
153.05591	14.3
158.48555	1.3
159.02997	2.6
161.04550	8.9
162.12450	1.3
195.25296	1.4
197.04570	51.4
197.06400	2.6
198.04840	1.9
203.05547	1.3
285.03973	3.3
289.16537	7.8
331.17563	3.8
433.20865	15.5
451.21875	16.6
475.21667	5.5
493.15887	3.1
493.22925	45.3
494.23166	1.7
535.24066	9.5
623.13232	1.7
623.25195	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87589	0.5
61.01106	0.5
61.04148	0.5
65.03969	0.6
69.24225	2.3
72.56683	0.4
87.66714	0.5
93.03465	53.4
94.03770	0.7
98.21848	0.9
100.49059	0.4
105.61294	0.5
119.05031	0.5
137.02457	100.0
138.02808	1.3
140.18091	0.5
183.28549	0.4
231.94922	0.4
326.25433	0.5
569.31055	0.5
587.25061	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	623.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40370	1.3
53.18068	1.4
57.03449	2.3
58.30483	1.2
59.01386	94.6
61.98834	1.6
69.29095	6.8
71.01399	6.7
85.02950	4.4
85.04534	1.2
89.02454	2.4
95.01417	1.9
108.02177	6.9
109.02961	2.5
113.02448	9.7
119.05023	1.6
121.02921	1.6
132.02150	1.5
133.02968	21.5
134.03680	3.4
135.04526	12.0
137.02420	3.4
145.02971	1.7
146.03732	2.3
147.04538	3.2
150.03206	4.6
151.03986	3.9
152.01175	12.3
153.01947	1.7
159.04489	1.8
160.01649	3.8
161.02463	65.0
161.06055	1.8
162.02815	2.5
163.04005	4.3
165.05547	3.8
166.06335	1.8
168.00684	2.4
171.54668	1.3
174.03226	2.1
175.04015	20.4
176.04781	2.9
177.05510	2.6
179.03526	2.5
179.07098	6.8
180.04329	2.6
181.05212	1.9
188.04768	2.6
189.05537	7.2
190.02670	1.8
190.06396	18.0
191.03468	1.9
191.07143	15.2
192.04298	1.7
192.99631	6.2
193.04999	6.3
193.99980	2.5
194.05775	2.6
203.07239	2.4
205.05031	1.8
205.08727	14.3
207.06589	3.4
208.07419	17.2
212.76906	1.4
222.08986	8.2
223.09590	1.8
255.02744	1.6
269.08243	1.7
281.08148	3.5
311.08978	1.6
314.11670	4.5
326.11505	2.0
329.13931	11.4
332.76511	1.5
341.10251	2.0
341.13931	5.5
349.03796	4.4
350.04172	5.6
353.10263	3.1
355.58374	1.4
356.12567	4.6
368.12769	2.1
371.15085	19.4
383.15048	11.9
389.16083	100.0
390.16501	4.6
417.10211	4.0
419.16989	3.0
427.16129	7.2
429.10248	1.6
444.63477	1.7
447.11316	3.3
461.16739	4.5
623.19873	32.0
623.40674	1.6
624.19556	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62639	1.8
53.55540	1.7
59.01384	50.7
59.30793	1.9
61.98833	4.7
69.43163	4.3
69.43581	6.7
71.01386	23.6
73.02956	10.0
78.95906	2.4
83.01402	4.7
85.02953	9.2
89.02461	10.2
90.23338	1.8
97.02988	2.8
99.00859	2.7
101.02451	18.4
113.02468	11.6
117.03486	3.4
119.03461	3.0
119.05024	5.0
131.03540	2.2
133.02937	2.9
135.04547	6.4
161.02397	2.6
161.04619	2.8
162.52301	2.1
182.38055	2.1
187.03987	2.4
193.05051	3.3
195.14003	9.5
211.13489	2.2
213.14951	6.3
221.06595	3.8
284.03439	2.5
285.04187	20.0
357.19226	3.3
375.20392	9.7
417.21246	5.0
519.24408	2.6
537.25494	5.4
579.26593	100.0
580.27087	4.6
608.05719	2.9
623.14606	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	623.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	51.5
69.85095	5.8
71.01389	23.4
71.32774	1.5
73.02948	9.2
83.01415	3.8
85.02956	9.1
89.02454	22.4
95.01395	2.4
96.96017	2.4
101.02462	20.1
113.02457	12.5
119.03542	8.1
119.05030	2.7
122.02495	2.1
151.00356	1.4
195.13889	9.6
213.14920	2.6
285.04129	11.5
309.49377	1.8
357.19162	6.4
375.20270	100.0
376.20471	3.8
417.21301	25.3
522.42859	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	623.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.7
59.01386	69.3
61.98822	4.1
67.33849	1.7
69.88160	5.5
71.01387	34.5
72.99316	4.0
73.02953	21.0
75.00877	9.0
78.95921	1.9
80.39542	1.5
82.94154	1.6
83.01388	3.9
85.02951	11.5
87.00880	5.2
89.02450	9.8
99.00930	2.0
101.02455	24.0
105.55354	1.6
113.02457	18.3
115.00411	1.9
119.03515	4.0
122.02489	18.3
125.02439	2.0
131.03586	2.3
143.03534	2.5
161.04581	2.4
164.34375	1.6
190.02646	2.1
191.03523	4.5
195.13943	11.1
203.05658	2.6
213.15038	2.4
279.21097	1.7
284.03448	2.9
285.03955	3.9
299.05756	1.8
323.07913	2.1
327.21735	2.1
357.19263	10.7
357.98706	1.6
358.19260	1.9
375.20221	16.8
399.20328	9.3
417.21347	100.0
418.21649	4.6
486.20975	2.7
623.25537	33.2
624.25629	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17040	39.0
52.12620	44.9
83.63221	40.5
92.23045	42.9
96.65724	46.5
98.21956	100.0
104.88811	39.4
203.47049	43.2
452.57904	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69263	0.8
59.01355	1.3
61.98833	86.4
64.20391	0.9
65.00340	2.6
69.11715	3.7
69.12119	1.3
95.01385	1.4
99.57881	0.7
108.02204	0.7
136.98822	4.6
139.75137	0.9
152.01181	1.9
161.02446	2.1
164.98280	8.5
180.00676	2.3
211.04008	2.0
241.04999	1.7
242.08273	1.8
255.03084	5.4
269.04614	6.6
270.07727	3.5
271.06012	1.2
283.02487	40.9
284.02869	1.5
297.04187	1.3
298.04825	28.9
309.07825	0.9
313.07193	100.0
314.07529	4.8
335.59409	0.9
352.08273	2.0
355.08441	1.6
452.09665	1.0
624.15259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.167
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01909	3.8
65.00326	4.1
65.99501	1.7
65.99853	32.2
69.49633	1.4
83.01379	1.7
84.06387	1.4
84.15184	1.3
88.01932	2.7
89.99831	1.9
107.01402	2.1
108.00944	2.1
122.55997	1.3
133.01654	2.9
145.06581	3.3
149.99669	1.3
151.00421	6.1
171.04507	7.0
175.99892	20.8
187.07594	1.6
189.00671	1.7
199.76256	1.3
210.05676	1.5
211.07655	3.9
213.05577	5.5
238.05132	6.2
239.03378	2.3
251.03528	2.3
252.06650	2.5
255.06633	87.9
256.06967	3.6
268.06113	4.3
269.04556	2.8
270.07666	1.8
280.06174	51.6
288.93524	1.5
343.09668	2.0
348.93320	1.5
355.09753	6.1
368.09247	1.9
421.61572	1.4
552.62531	1.5
624.16663	100.0
625.17230	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	624.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34592	1.6
68.99794	2.0
70.14790	3.6
73.76688	1.4
77.31049	1.4
80.87460	1.4
81.64211	1.4
92.87338	1.7
98.21859	2.2
110.02450	1.6
110.41702	1.5
117.03441	2.3
136.00418	2.0
151.02754	1.9
164.98346	2.0
169.05200	2.0
169.06613	28.0
171.04533	5.9
185.16125	1.6
195.04506	1.8
197.06093	28.0
211.86261	1.5
228.06609	2.0
241.05127	10.5
242.08253	6.3
268.06430	2.4
269.04517	3.0
270.07642	10.1
280.06100	2.2
310.12408	4.9
320.05649	2.0
338.12189	2.2
382.11023	3.8
399.39999	1.7
417.10593	1.6
520.10553	8.4
624.16724	100.0
625.17230	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	624.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73712	1.7
59.01369	2.0
61.98833	6.1
65.00333	13.9
66.79996	1.8
68.99820	1.7
69.20928	5.1
69.21327	4.2
82.29995	1.6
84.23107	1.9
92.99842	4.0
96.99338	5.8
108.02184	2.3
110.00129	2.1
111.00884	3.2
118.12549	1.7
124.01704	4.7
129.39948	1.7
133.03029	2.9
136.01648	2.2
136.98810	13.1
139.00369	5.6
139.03799	1.6
148.04063	1.9
148.07716	16.1
151.56830	1.9
152.01169	6.5
161.02472	6.4
162.02756	2.3
164.98308	32.9
166.99951	2.3
171.04547	2.5
173.06024	4.5
176.07140	3.0
177.99057	2.2
180.06708	2.6
199.04060	4.5
204.06647	2.0
220.06113	7.8
225.05640	7.4
227.06975	2.3
229.05176	2.4
241.05035	5.0
243.06633	21.9
248.01927	2.6
248.05655	15.1
253.05064	6.3
269.04556	100.0
270.04965	6.3
270.07776	6.2
271.06107	65.5
271.09045	2.5
297.03958	3.2
299.05649	12.2
309.08041	1.9
311.74619	2.0
313.07275	4.7
325.03534	5.3
327.05096	7.4
352.08142	6.7
352.11914	56.9
353.12192	2.8
393.06381	2.4
419.18652	1.9
430.06403	2.0
497.12692	4.8
624.19647	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	624.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98830	1.9
65.00327	21.9
69.97130	1.6
69.97462	1.1
71.01390	1.2
76.96812	0.7
85.02982	0.8
88.98851	1.1
92.99825	4.2
95.01418	1.7
96.99329	5.5
99.00924	0.7
104.58035	0.7
105.03468	1.0
108.02182	0.9
108.99326	1.5
110.00095	3.5
111.00890	2.0
112.01199	1.0
113.02515	0.8
119.05025	1.5
119.17593	0.7
120.99314	2.0
122.02522	0.7
125.02467	0.9
133.02942	1.0
135.04451	1.0
136.54898	0.9
136.98820	18.1
137.02432	0.9
137.99570	0.9
139.00342	2.1
149.99501	1.2
161.02452	3.5
161.55670	0.7
162.02800	1.8
164.98308	41.7
165.98956	2.2
167.03514	1.7
169.06615	1.0
171.04536	1.2
173.06059	1.8
177.01927	0.9
177.99054	1.8
179.03542	0.8
185.06055	1.1
197.06087	1.7
199.04053	2.2
205.01385	1.0
207.36629	0.8
213.05626	1.0
225.05528	1.7
227.03519	2.5
227.07103	3.1
241.05087	6.4
242.08130	3.5
243.06621	1.9
248.02065	0.9
265.08585	1.2
267.06668	0.9
269.04559	100.0
270.05023	7.0
270.07782	7.3
271.06000	4.1
281.08325	1.2
283.02466	2.8
285.04047	9.0
286.04453	7.3
298.04797	1.5
309.07681	3.3
313.07144	3.1
352.08142	2.3
353.07306	0.7
353.11386	3.6
354.14621	0.9
372.12073	0.9
448.09317	1.3
521.90668	0.7
563.01611	0.8
624.14386	2.5
625.15906	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	625.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19569	1.2
59.01371	3.7
65.00306	3.5
68.99808	1.4
71.01380	2.8
76.96152	2.0
78.95907	1.5
82.00596	2.0
85.02943	3.0
93.03481	2.0
95.01394	4.8
98.22710	2.3
99.00854	2.3
109.02985	1.5
110.00123	17.2
110.94103	2.7
111.00854	1.7
112.93817	14.3
113.02460	7.7
114.93523	6.3
119.05029	21.1
123.00935	3.4
124.01635	1.9
135.04469	2.3
136.98846	3.4
137.02504	1.9
137.77997	1.4
137.99568	2.6
139.00377	14.8
141.01991	2.6
149.02458	1.5
152.01137	4.4
152.47472	1.4
153.01959	24.6
165.99086	15.7
166.99879	29.3
173.06097	1.8
175.02498	3.7
176.25739	1.5
178.99863	1.6
180.00598	3.8
181.01430	13.6
185.00784	1.3
193.01459	3.6
193.03461	2.3
204.92281	5.6
206.92018	16.8
208.76294	1.4
208.91675	11.5
229.05026	2.4
230.05777	2.2
241.05014	4.7
243.06625	1.4
259.06241	2.0
269.04477	17.4
285.03760	1.4
286.04837	30.1
287.05637	100.0
288.06030	4.0
299.81476	1.4
329.05096	2.0
432.75171	1.6
445.07703	8.4
449.10931	87.2
450.11288	4.9
463.08810	17.0
625.14240	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	625.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91749	0.7
59.01372	4.0
65.00367	2.9
69.54121	3.0
71.01435	2.4
83.05079	1.0
85.02986	1.4
89.02502	2.3
100.82361	0.7
101.02523	2.3
109.02966	0.8
110.00161	2.9
111.00928	0.8
113.02484	0.9
133.02959	7.0
134.03712	0.7
135.04616	2.4
136.98833	5.1
163.11328	1.2
164.98344	1.7
165.02003	1.0
165.99091	3.7
167.08870	0.8
171.04550	1.1
172.05330	1.0
172.60641	0.7
175.04056	1.0
183.04608	0.8
191.00002	1.2
199.04031	7.4
201.02051	2.9
201.05591	1.5
202.51463	0.8
203.03630	0.8
209.11852	20.8
211.04152	0.8
215.03535	1.7
216.04247	1.2
227.03543	4.8
227.12952	3.3
228.04315	1.2
230.45332	0.8
243.03088	2.9
255.02965	4.8
257.04538	1.4
269.04684	0.8
271.02512	9.4
283.02554	3.0
284.03223	1.3
299.02023	27.4
299.05481	1.5
300.02756	59.6
301.03552	83.6
302.04047	2.1
313.03705	2.0
358.97876	0.8
397.13486	5.1
415.14606	2.7
462.08038	4.4
463.08875	100.0
464.09311	5.9
505.09872	0.9
551.66315	0.7
625.14142	46.8
626.14410	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
59.01657	0.7
63.69866	0.6
69.53964	1.2
69.54317	2.5
71.01400	1.3
72.97519	0.9
75.00852	0.6
79.95739	7.3
82.73367	0.6
83.01347	0.9
85.02964	1.9
87.00878	1.5
89.02469	0.9
93.03465	2.6
95.01409	1.6
96.96005	2.9
98.22619	0.7
99.00918	1.3
101.02420	0.8
107.01408	0.9
109.02975	0.7
110.00056	1.3
111.00894	9.7
113.02468	2.2
119.05036	1.0
123.00861	2.1
123.04519	1.0
125.02457	0.9
133.02979	2.8
135.04567	3.4
136.00316	0.8
136.98839	1.2
137.02470	2.3
139.00392	11.4
141.01926	0.7
151.00412	2.1
151.03963	1.6
153.01938	0.7
161.02467	4.9
162.02766	1.4
163.02873	0.9
164.07011	0.7
164.98280	1.4
165.99100	1.9
166.99846	3.8
167.03505	1.8
177.01924	1.9
178.99902	1.3
187.03915	0.8
189.05652	1.0
189.48837	1.2
189.99132	0.9
192.00621	1.1
201.05721	0.8
207.02811	0.7
211.04024	1.9
215.03476	1.0
236.97900	4.4
237.48111	1.9
239.03488	2.3
255.03008	1.1
285.04053	5.2
286.04431	5.0
287.04636	3.9
299.02042	3.1
300.02695	3.5
301.03552	100.0
302.03812	4.5
314.04266	1.9
315.05237	1.3
359.09842	3.0
383.58838	0.8
395.00998	1.5
449.10437	0.8
463.08847	40.5
464.09155	2.7
479.14047	2.1
625.19751	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	625.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
63.79861	0.8
63.85264	0.8
65.00318	4.1
66.08186	0.7
69.97680	0.7
71.01379	4.9
73.39635	0.8
74.33656	0.7
81.03451	0.9
83.01378	1.3
85.02946	2.0
85.36552	0.8
91.01894	2.9
97.02900	0.8
101.02444	2.4
107.01430	4.2
108.02164	7.9
109.02952	4.3
111.00892	1.0
113.02454	1.2
117.03482	3.0
122.03688	1.1
123.00892	1.8
123.04540	13.2
124.01637	1.2
125.02447	1.5
136.98813	8.9
151.00400	4.8
152.01167	12.7
153.01930	4.4
154.04228	0.9
161.02368	1.0
164.98302	11.9
166.02707	1.7
167.03508	27.4
167.04877	1.0
178.99866	1.3
180.00633	2.3
181.05034	0.9
183.04475	7.9
185.02437	2.9
195.02998	1.1
209.04546	2.4
211.03996	4.8
221.04443	1.3
226.02708	1.8
227.03490	2.5
239.03470	2.5
255.03001	23.4
256.03433	1.3
269.04297	4.4
269.07056	1.1
270.07559	1.2
281.04623	1.0
283.02493	100.0
284.03061	5.0
296.05426	2.4
297.03793	8.6
298.04825	81.8
299.05353	3.8
311.04578	1.4
311.07813	28.7
313.07196	80.0
314.07471	3.2
355.08261	2.4
559.14752	0.9
610.12744	1.1
625.15662	67.7
626.15881	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	625.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11316	1.3
59.01383	6.0
63.80868	1.3
65.00334	1.6
66.71315	1.5
67.01910	1.8
69.03469	2.7
69.64130	3.2
69.64516	2.9
69.75656	1.2
71.01387	3.8
71.44344	1.2
76.17754	1.4
81.03468	3.1
83.01384	6.6
84.26922	1.2
85.02945	1.8
85.35015	1.3
93.03471	3.7
95.01408	5.8
95.05035	1.5
96.96004	2.9
97.02979	8.7
99.04530	2.5
101.02452	2.4
105.18595	1.3
107.01396	2.1
107.05022	4.1
108.02213	1.4
109.02967	5.1
110.00114	1.5
111.00893	14.4
111.04530	6.3
112.08611	1.3
113.02467	3.6
119.05059	7.3
121.02962	6.2
123.00881	8.9
123.04530	7.9
124.01691	5.5
125.02448	14.0
133.02965	2.5
134.03766	2.0
135.04527	15.8
136.01668	3.4
136.98891	2.0
137.02454	9.2
139.00383	13.1
139.04018	12.3
145.02988	3.1
147.04544	2.4
147.06834	1.3
149.02422	3.2
149.06050	1.4
149.99623	3.1
151.00333	2.4
151.04028	13.1
153.01904	7.6
153.05466	1.6
155.03554	3.9
161.02454	4.9
162.02832	1.9
163.00356	7.4
163.04095	8.8
164.01112	1.8
164.98291	2.9
165.01964	4.0
165.05533	3.0
166.99884	4.7
167.03493	3.4
168.00639	11.8
175.04024	4.3
177.01923	4.9
179.03523	13.2
181.01454	1.9
187.04036	2.8
191.03488	3.5
193.01404	1.9
193.05066	1.9
195.02982	5.4
201.01808	1.4
202.87447	1.2
205.05013	1.7
207.02989	20.1
209.04613	3.7
219.03000	4.7
229.05016	1.5
237.04155	2.8
239.05670	3.1
240.09303	1.6
245.06581	1.5
255.03055	1.5
283.02692	1.8
287.05487	6.1
300.02747	1.9
301.03555	82.1
302.03711	4.0
327.07169	3.7
359.09866	100.0
360.10129	1.8
389.10931	7.1
449.10962	2.6
449.34546	1.6
461.13004	2.2
463.08853	41.4
464.08759	1.9
479.14105	58.0
480.14340	2.6
505.13452	9.1
625.17847	37.0
626.17743	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	625.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60923	1.1
59.01387	2.7
65.00323	4.4
68.99817	1.4
95.01394	3.5
96.95994	1.4
110.00110	1.2
110.02465	2.7
111.00894	3.3
122.02498	1.2
123.00969	1.3
123.03250	4.4
123.04487	1.4
124.01685	7.4
127.87843	1.1
134.02493	5.0
135.03268	6.9
136.00444	2.5
136.01640	3.5
136.98785	4.4
138.01993	2.8
139.00401	7.2
149.02390	2.2
150.02025	1.4
151.02733	4.7
152.01204	7.3
157.06493	2.0
164.98218	2.1
166.99901	2.9
167.03517	1.9
169.06635	2.3
171.04550	1.3
171.08069	1.2
173.06041	4.3
177.01997	1.2
185.06117	2.4
191.03482	1.8
192.02983	1.9
197.06117	1.6
197.95345	1.2
205.01591	1.4
222.04060	2.3
225.05603	4.7
226.08693	2.8
227.07106	2.1
228.06781	1.8
229.04866	1.6
229.53667	1.0
242.05742	2.5
242.08244	41.9
243.06621	32.5
243.09059	1.7
244.06915	3.5
250.03624	3.1
253.05051	5.1
269.04550	25.0
270.04916	17.4
270.07718	79.7
271.06107	100.0
272.06500	9.9
278.33194	1.1
281.08109	1.3
283.02606	1.9
309.07678	5.3
310.07999	1.9
311.07718	1.4
313.07196	2.4
326.10410	10.5
327.10611	2.7
336.08911	2.8
336.13281	1.5
352.08545	5.3
353.11795	16.2
354.09842	80.3
355.10168	12.3
410.09955	1.3
437.14609	1.6
565.10223	1.4
625.17303	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	625.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97181	3.1
61.98829	4.1
65.00334	6.1
65.99853	11.6
69.75497	4.9
69.75858	9.5
93.03463	3.5
95.01397	3.9
95.76158	3.2
98.02483	7.3
110.02464	5.5
111.00867	4.4
119.05001	3.1
121.02975	4.0
123.03230	4.0
131.05037	3.2
134.02499	4.3
135.03267	7.4
136.00443	5.8
140.03568	4.2
143.05000	3.7
150.02013	4.0
164.98270	3.9
165.00636	6.2
169.06540	4.7
170.06062	3.0
171.04520	14.6
171.16127	3.2
175.99904	6.9
185.06152	5.0
189.04337	4.2
192.02939	3.9
201.05612	5.7
224.07086	3.9
239.03438	4.1
240.04369	5.1
240.06645	4.3
241.05098	10.1
242.08243	44.4
245.03369	6.3
252.06696	6.7
254.05447	3.8
255.06581	12.8
268.06097	17.0
269.04492	11.7
269.07031	4.5
270.05045	4.5
270.07739	63.9
271.01276	4.2
271.06079	10.3
271.08469	5.4
280.06219	17.5
288.03928	9.9
294.07751	7.3
312.08832	8.1
322.07233	5.4
337.08252	5.4
348.08636	6.0
349.09549	7.5
352.08118	5.0
353.11514	7.6
354.09726	6.4
356.07901	8.7
391.09399	10.5
392.10178	96.4
393.10760	17.7
405.10870	27.7
523.12286	4.1
524.12769	10.7
537.17096	5.0
565.16046	4.4
575.14246	5.2
593.15625	100.0
625.15729	20.4
625.26422	3.7
626.15930	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92920	0.6
59.01387	60.6
61.65414	0.6
69.61261	2.8
71.01392	3.9
74.20419	0.6
81.03444	1.0
83.05035	1.7
87.00899	1.1
89.02448	4.7
101.02446	3.0
113.02452	1.5
119.03532	1.4
121.02934	0.8
122.03738	0.9
125.02448	1.0
131.63589	0.6
133.02956	2.4
149.02461	5.0
150.03221	6.4
163.11368	1.2
165.05586	8.4
177.01945	39.1
179.05716	1.2
180.04268	0.8
192.04300	48.3
193.04710	1.5
195.06651	11.4
205.56219	0.7
207.06642	100.0
208.06970	3.5
209.09831	1.6
209.11835	30.0
227.12938	6.7
235.08369	1.7
283.93484	0.8
300.06540	0.7
353.10144	2.6
355.11893	1.2
356.12341	0.9
371.11288	5.1
397.13593	7.0
415.14630	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	625.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82226	1.7
53.96055	1.8
59.01388	28.2
61.15893	1.7
61.98830	3.1
69.61928	5.2
71.01386	4.4
73.02941	2.7
85.02958	2.0
87.04520	5.9
89.02471	3.6
93.03450	3.5
95.01368	2.2
95.02509	2.0
96.96011	2.3
101.02467	5.1
113.02476	4.6
119.05055	9.5
121.02976	8.4
122.03771	14.5
133.02928	3.4
135.04555	3.6
149.02455	34.9
150.03249	95.9
161.02507	3.7
164.04762	4.4
165.05594	100.0
180.04321	6.2
195.06656	49.4
197.11710	1.9
246.19484	1.9
268.07407	3.7
283.09634	2.3
296.06851	2.7
308.07013	2.6
309.07669	2.0
311.09183	5.6
323.09229	6.0
324.06311	2.8
324.09818	2.9
336.65469	2.3
339.08713	24.8
354.11053	14.5
355.12039	2.8
369.13437	53.0
517.18573	18.5
577.21027	5.3
612.10083	2.0
625.25555	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	625.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80540	0.9
61.98823	1.1
63.98594	0.8
73.02930	1.3
87.57699	0.9
96.96033	1.6
98.21824	1.6
108.67418	1.0
197.06967	0.9
213.10342	9.1
265.14801	2.9
299.13995	3.1
384.13132	0.9
398.15094	1.5
404.14658	1.0
418.10583	1.0
432.12439	1.5
433.13019	6.4
434.13785	3.0
439.21292	1.4
447.14902	4.8
448.15445	11.5
449.16248	6.6
463.17850	21.0
464.18423	2.1
475.13586	1.2
477.19659	4.5
478.20297	2.9
479.20889	15.6
480.21118	1.2
489.67734	1.0
490.16614	1.7
491.17297	30.4
492.17749	2.5
505.18539	4.8
506.19714	8.2
507.20230	3.6
519.20319	1.4
520.21149	1.9
523.20056	3.2
524.21057	1.2
537.21979	1.0
538.22284	39.3
539.23029	8.0
593.24072	9.7
625.26752	100.0
626.27112	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	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.2
57.03459	3.5
57.05853	0.3
57.45832	0.3
58.00609	1.5
59.01385	100.0
60.01712	0.4
61.92334	0.3
63.43480	0.3
67.01924	0.5
68.99831	0.5
69.03461	4.5
70.09409	0.3
70.83291	0.4
71.01389	75.0
72.01727	0.5
72.99324	2.1
73.02954	26.0
75.00896	1.4
81.03449	2.4
83.01395	12.8
83.01901	0.6
84.02200	0.4
85.02962	24.7
86.00117	0.7
87.00885	7.1
87.01386	0.5
89.02455	47.1
90.02833	0.5
93.03442	0.8
95.01398	4.6
96.96021	1.5
97.02962	10.5
99.00893	8.5
99.04569	0.7
100.01685	0.5
101.02455	46.5
102.02794	0.6
109.02975	1.2
111.00902	4.2
111.04530	0.9
113.02463	28.2
115.04019	1.0
119.03522	4.1
121.02969	0.8
123.00934	0.7
123.04494	0.4
124.01728	0.7
124.24002	0.3
125.02464	29.8
126.02800	0.4
127.04031	1.3
127.11320	1.0
129.01971	1.2
131.03519	17.1
132.03864	0.5
137.02486	0.8
139.04036	1.2
141.01973	0.8
143.03523	7.7
149.02562	0.6
149.04573	11.3
151.04037	0.4
155.03482	0.8
159.03003	2.4
161.04581	12.0
167.03526	1.1
169.12415	0.3
173.40080	0.3
173.57333	0.3
179.05701	1.6
185.11859	0.4
190.54842	0.3
191.03938	0.4
191.05580	2.2
203.05670	1.3
214.82631	0.3
215.05818	0.3
221.06705	2.5
227.05705	0.6
233.06657	2.3
245.06642	1.0
257.06561	0.4
257.79401	0.3
263.07678	1.0
271.15631	0.7
275.07745	0.7
277.62537	0.3
287.07758	0.7
289.16611	9.6
293.08792	1.7
295.15802	0.3
299.07666	0.4
331.17645	1.3
343.39462	0.3
355.17679	0.3
403.19742	1.1
415.19748	1.1
421.20834	55.7
422.21222	2.4
433.20819	7.2
437.13074	0.9
451.21835	2.7
463.21927	2.5
464.94193	0.3
493.22723	0.6
527.25214	0.6
539.44635	0.4
547.23993	0.8
565.25073	24.6
566.25189	1.7
583.26129	84.8
584.26392	5.7
625.27142	7.1
626.27759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06712	0.8
55.01884	4.5
57.03436	3.3
59.01385	77.5
69.03450	3.7
69.46398	4.3
71.01390	66.4
72.99313	1.9
73.02952	23.1
75.00914	1.3
79.13177	1.1
81.03426	2.0
83.01395	13.9
85.02462	1.9
85.02959	27.3
85.20845	1.0
86.65290	1.1
87.00873	7.2
89.02449	40.0
93.03462	1.1
95.01389	5.3
97.02957	10.4
99.00906	9.4
101.02450	41.0
109.02934	1.7
111.00887	4.0
112.01680	1.1
113.02461	28.6
115.03992	1.5
119.03488	4.1
123.00863	1.2
123.04485	1.1
125.02457	26.6
126.02783	1.3
127.04063	1.1
128.93404	0.9
129.01926	1.5
131.03531	11.9
141.01939	1.7
143.03526	6.6
149.02357	1.1
149.04567	9.6
155.85257	0.9
159.03038	3.6
161.04568	12.9
179.05647	1.8
191.05748	1.1
198.85785	0.9
221.06667	1.8
233.06602	2.3
243.39388	0.8
245.06598	1.9
253.83430	1.0
289.16553	10.6
331.17529	1.8
355.17850	1.2
403.19745	7.5
421.20834	47.3
422.21262	3.3
433.20789	11.9
451.21735	7.3
463.22098	2.4
493.22842	1.4
565.25055	35.0
566.25195	2.4
583.26111	100.0
584.26544	10.0
625.26941	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64275	0.6
55.61920	0.7
59.01387	32.6
61.98821	0.6
63.58817	0.8
69.03442	1.0
69.10152	4.8
71.01023	1.3
71.01389	17.9
71.05019	0.8
72.99337	1.2
73.02943	2.7
75.00877	0.9
80.02662	2.1
81.03455	1.9
83.01392	2.3
83.05048	5.5
84.02151	1.1
85.02946	3.1
87.00880	2.6
89.02460	14.3
91.04006	0.7
95.01370	1.3
96.96015	1.1
97.02965	1.7
99.00898	1.1
101.02453	11.8
113.02499	6.0
115.03967	0.7
117.05576	3.1
119.03542	5.7
119.05022	1.1
125.02444	3.4
125.06062	0.8
135.08257	0.9
143.03487	1.9
145.02930	1.0
161.04562	3.1
163.11273	5.6
165.12842	3.5
176.04814	0.9
179.03514	1.4
179.05626	3.0
181.12425	1.0
191.10789	1.7
193.05057	0.9
194.05858	1.6
207.06703	1.4
207.10251	0.9
209.08235	6.0
209.11852	100.0
210.12227	3.2
221.06779	0.9
222.04114	0.8
225.11328	1.3
227.12915	17.4
228.13358	0.9
235.08340	4.8
253.09369	2.1
257.04532	1.7
261.09875	2.3
287.07840	1.0
305.08813	1.1
358.27539	0.8
397.13525	29.4
398.13806	1.3
401.06757	2.0
401.47281	0.8
410.01938	0.8
415.14645	16.1
419.07834	2.7
421.04916	1.2
441.53760	0.7
625.16028	0.8
625.26538	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	625.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
59.01387	22.4
63.19491	0.5
69.03484	0.7
69.22427	0.6
69.27839	1.6
69.28250	2.0
70.96457	0.6
71.01391	14.0
71.08458	0.6
73.02958	3.3
80.02706	1.0
81.03457	2.1
83.01375	1.1
83.05035	7.0
84.02187	0.9
85.02962	2.4
87.00881	2.3
89.02454	13.5
95.01409	1.0
95.05054	0.9
97.02954	1.7
99.00884	0.9
99.12306	0.6
101.02459	12.6
111.00845	0.7
112.35697	0.7
113.02456	7.1
119.03515	3.7
123.04517	1.1
125.02462	4.0
131.03540	0.9
134.51845	0.6
143.03496	1.8
161.04570	2.3
163.11327	5.1
165.12859	2.8
167.03494	2.8
179.05675	3.2
199.13382	1.1
209.11848	100.0
210.12128	2.5
227.12918	21.7
235.08154	4.4
256.03842	0.6
263.07813	0.9
287.07733	0.8
305.08817	0.8
397.13541	26.5
415.14603	15.8
625.27545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
57.03459	0.7
57.86707	0.5
59.01384	22.9
60.09371	0.5
69.24072	3.0
71.01386	14.3
72.99316	0.8
73.02962	2.9
80.02702	1.1
80.56012	0.5
81.03464	2.3
83.01388	3.0
83.05029	6.8
84.02175	1.5
85.02948	3.3
87.00887	3.6
89.02453	14.5
89.35688	0.6
95.01370	0.9
95.05047	0.9
96.96009	0.7
97.02985	2.9
97.75713	0.5
99.00877	1.0
101.02448	10.6
113.02459	6.2
119.03529	3.7
123.04556	0.7
125.02468	4.7
125.06108	0.8
132.59641	0.5
135.08153	0.6
138.61284	0.5
139.03999	0.7
143.03526	2.4
161.04593	2.6
163.11299	5.2
165.12859	4.3
167.03493	1.6
179.05658	3.5
181.12329	0.9
191.10710	1.1
199.13409	0.8
209.11853	100.0
210.12210	2.3
221.06674	0.9
227.12912	19.3
235.08287	3.4
253.09256	0.9
287.07788	1.2
289.23364	0.6
305.09055	0.6
312.54071	0.5
381.18347	0.5
397.13547	24.4
398.13654	0.9
412.00705	0.5
415.14584	15.9
416.15097	0.6
520.07129	0.5
625.13995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.144
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14852	20.0
65.68822	19.4
68.49917	17.9
105.16273	19.4
126.02758	21.1
141.42010	19.8
226.53250	21.0
270.07788	22.7
271.06201	45.4
296.05441	26.6
306.04010	28.7
334.03455	23.8
397.02167	23.2
410.10806	21.7
412.11426	26.2
438.09814	100.0
454.12866	25.6
537.45300	22.7
626.13336	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89493	1.8
58.40339	2.1
59.01386	100.0
61.00443	7.2
65.87565	2.1
69.08850	6.3
69.09258	6.9
70.08403	2.0
71.01392	8.3
73.02969	4.4
82.01713	3.5
85.02931	3.0
96.96049	3.1
98.21871	4.9
99.00886	3.3
101.02444	8.0
113.02460	3.9
113.07184	2.2
117.03472	3.7
128.03549	2.4
136.98830	2.0
161.04593	4.2
207.01300	5.8
208.91565	2.8
209.11833	6.9
223.04037	4.1
255.02992	3.5
269.10342	9.4
270.04025	32.9
283.02499	18.4
284.02731	2.6
300.02716	4.6
301.03311	12.6
302.03915	6.7
311.11636	2.7
397.13669	2.5
513.70660	2.5
625.35925	3.0
626.14508	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	626.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01340	0.3
65.00332	2.9
67.01868	0.5
68.99815	0.6
69.05499	0.8
69.05923	1.3
70.82500	0.2
83.01381	0.5
95.01394	2.5
96.02190	0.3
96.29553	0.2
98.21958	0.6
99.00876	0.4
105.65885	0.3
107.05009	0.6
108.02165	1.1
109.02931	0.5
110.00100	0.3
111.00883	3.9
117.03493	0.3
123.00893	2.1
124.01670	9.2
124.98769	0.4
136.01685	3.0
136.98822	4.4
138.99298	0.5
139.00380	7.7
140.00641	0.3
143.05110	0.2
148.04105	0.3
149.02400	0.6
150.05637	0.3
151.03986	0.4
151.99963	0.5
152.01164	8.7
153.01865	0.3
153.07089	0.4
156.00656	0.5
157.06549	1.5
161.02470	0.3
163.03979	0.9
164.04761	0.6
164.98265	0.4
165.07167	0.3
165.99039	0.8
166.99867	4.0
171.04555	0.4
171.08145	0.9
173.06090	2.9
177.01865	0.4
179.03500	0.6
180.00636	0.6
181.06551	1.2
182.04602	0.4
183.08249	0.4
185.06065	1.9
188.01146	0.3
191.03528	0.8
191.80540	0.3
193.01392	0.9
197.06059	0.7
199.07614	1.6
201.05533	1.3
207.03018	0.3
207.05087	0.4
209.06047	1.1
215.07126	0.4
220.02380	0.5
221.09770	0.3
222.04066	0.9
225.05589	5.4
227.07132	2.8
229.05070	1.0
235.04922	0.5
242.06053	0.4
242.08170	1.4
243.06619	35.0
244.06984	1.2
250.03607	1.7
253.05075	5.7
265.08658	0.7
269.04462	0.7
270.05243	1.0
270.07764	1.5
271.06122	100.0
272.06488	2.5
275.07019	0.4
282.11493	0.3
283.09845	1.6
293.08136	0.6
298.10797	0.3
308.09247	0.5
310.10904	1.2
311.09293	1.5
326.10339	5.4
336.08847	1.1
354.09833	53.2
355.09891	1.6
385.16809	0.3
398.13782	1.2
626.16400	2.1
627.17224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86432	2.4
52.28192	2.8
59.01387	95.7
61.98828	6.9
69.06377	16.4
71.01389	27.3
73.02947	12.4
83.01392	8.0
85.02962	14.8
87.00842	3.7
89.02451	19.1
95.01409	3.9
97.02983	4.4
99.00896	4.9
101.02465	21.6
106.06664	4.7
112.04091	3.7
113.02437	12.3
116.05064	4.2
119.59715	2.9
122.06134	6.6
123.03284	7.5
124.04050	5.5
125.02452	11.4
131.03519	4.8
132.04594	4.2
133.02924	5.4
134.06133	81.1
135.06409	3.4
138.05598	18.3
143.03548	5.6
144.04614	3.5
149.04578	6.4
152.07205	7.1
158.02534	3.1
158.06125	3.2
160.04112	15.0
161.02563	3.0
161.04570	4.3
164.07129	3.1
172.04065	6.1
179.05655	2.8
190.05124	11.8
192.06676	41.4
204.06645	18.7
279.11453	7.2
281.09387	3.1
283.02509	4.7
291.18063	5.8
299.01874	4.8
303.05850	2.9
307.10904	39.8
311.14072	11.7
337.12045	8.4
339.13477	100.0
367.13037	38.6
397.14063	11.8
399.15564	33.2
400.16229	3.5
402.18503	3.6
423.22470	22.7
446.17139	5.0
478.16364	3.7
506.19342	15.8
507.18582	4.0
520.41003	2.9
532.17310	5.8
550.18457	16.3
564.19562	6.4
566.24243	3.5
567.26508	7.6
582.21167	4.4
584.26538	7.8
585.27808	33.4
607.40131	3.2
627.14734	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	626.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75735	13.5
61.98838	100.0
70.98855	18.6
72.19038	14.7
128.22464	13.5
129.14362	13.8
135.04539	18.5
137.26990	12.7
140.16698	12.1
222.46701	16.2
598.42719	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	626.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01434	2.5
59.01372	3.4
61.98837	100.0
103.00302	2.1
115.03994	5.5
119.05023	3.1
119.87815	2.1
122.02450	4.3
190.82228	2.2
260.58182	2.4
261.62912	2.4
318.30173	2.7
489.29901	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	626.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89273	5.0
60.31562	5.6
61.98834	8.0
65.23779	4.9
69.00946	15.9
79.02155	5.4
79.02597	5.5
82.55981	4.9
84.35435	5.5
87.04520	9.6
96.96003	5.5
113.82079	5.1
115.04025	81.8
122.02505	100.0
134.06662	4.8
152.30244	6.1
179.63921	5.2
220.53421	5.3
311.16913	8.3
442.18130	5.8
530.02698	6.2
566.24091	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	626.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.9
59.01384	51.8
61.98831	11.1
65.47295	2.9
69.35172	13.2
70.17220	2.5
71.01392	44.1
71.89450	2.7
73.02951	13.5
83.01400	6.6
85.02956	12.7
86.43629	3.2
88.98774	3.0
89.02467	23.1
90.32197	2.6
94.15866	2.7
96.96009	4.8
98.21907	5.3
99.00893	5.6
101.02452	28.8
113.02484	13.6
119.03548	3.0
125.02464	8.0
131.03467	6.0
150.69997	2.5
161.04584	6.3
218.67352	2.8
285.04059	38.4
289.16611	3.3
421.20822	33.3
583.26111	100.0
584.26581	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	627.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
60.99323	0.4
65.00327	1.8
67.01897	0.5
68.99809	0.5
69.70510	0.3
71.01381	0.5
71.39996	0.3
72.27518	0.3
82.00600	0.6
85.74828	0.3
86.24636	0.3
88.98822	0.5
93.03486	0.7
95.01408	1.9
95.15421	0.3
106.00600	0.4
107.01421	0.8
110.00106	3.7
111.00896	10.3
117.03490	1.3
119.05022	5.5
121.02987	2.1
123.00886	2.6
125.02458	1.6
133.03020	0.5
136.98839	1.8
137.02464	0.8
137.99641	0.6
139.00383	12.4
141.01944	0.8
143.05066	0.8
151.00377	3.7
153.05603	0.5
161.02463	2.1
163.00478	0.8
164.98335	1.6
165.01949	1.3
165.99117	2.3
166.99863	3.8
167.05017	0.5
169.06599	1.0
171.04552	1.0
173.06131	1.1
178.99908	0.8
179.05069	0.6
184.28488	0.3
185.02455	0.6
185.06102	1.4
187.04015	0.5
190.99918	0.8
192.00642	1.2
195.04524	0.9
197.04594	0.6
199.04019	1.1
211.04041	1.0
213.05614	1.5
214.02850	0.4
217.05061	0.9
223.04007	2.2
225.01970	0.8
239.03529	2.2
241.05090	0.8
243.02762	0.5
267.02948	1.2
283.02570	0.9
284.03287	5.5
285.04068	100.0
286.04379	3.9
299.05621	0.8
327.04941	0.6
375.14676	0.4
425.31174	0.4
429.08334	1.5
447.09186	1.6
627.13562	12.9
628.13843	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1573
Annotation	Taxifolin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
52.92958	2.2
59.01377	4.6
69.65989	4.8
69.66384	5.3
73.08527	2.4
79.18358	2.2
81.03468	7.3
89.02457	4.8
95.05044	3.5
99.04524	3.7
108.02192	8.9
109.02962	41.5
121.02946	9.1
123.04549	4.9
125.02482	26.6
130.52315	2.4
131.56848	2.4
135.04492	2.7
137.02446	24.9
139.04053	3.1
149.02444	26.4
161.02402	4.8
164.01152	5.1
165.01944	37.2
166.02776	16.3
167.03508	58.5
175.03983	11.9
176.01221	3.9
177.01927	4.5
189.05609	3.6
191.03470	3.6
192.00720	5.9
193.01427	35.1
199.03993	11.0
217.05063	15.9
221.33440	2.4
223.04089	4.9
235.06279	2.4
241.05171	21.3
243.03026	6.1
257.04602	5.1
259.06094	5.6
267.02927	16.1
285.04080	67.2
303.05118	51.9
329.08829	25.6
339.07220	5.4
355.06754	13.7
447.09412	10.3
465.04129	5.0
465.10434	100.0
466.10883	5.0
479.90442	3.0
605.27533	2.8
627.15649	14.5
644.38397	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	627.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82156	2.9
59.01368	3.5
62.24641	2.7
64.36956	2.5
65.10973	2.5
71.41282	3.0
81.03461	8.2
83.01403	14.3
93.03465	2.8
95.01439	4.7
95.05048	9.2
97.02976	11.5
99.00887	3.0
99.04536	6.0
109.02982	7.8
111.04553	3.8
119.05052	3.6
121.02965	4.9
122.43285	2.9
123.04538	24.9
123.17181	2.7
125.02457	30.1
133.02972	22.4
135.04536	5.0
136.86497	2.8
137.02467	10.3
137.06082	5.9
139.04112	4.4
149.02449	3.9
151.04019	5.8
153.05583	4.3
165.01929	3.4
165.05659	5.8
167.03493	50.8
175.04054	4.3
177.01935	9.4
179.03493	8.1
197.04538	9.4
205.53104	2.7
209.04568	100.0
215.31424	2.8
221.04669	3.7
235.02435	6.1
239.05620	56.7
251.05782	6.7
263.05579	3.4
269.06635	23.2
277.03604	22.7
281.06747	3.4
307.04639	6.4
311.07755	8.5
329.08823	19.6
341.08878	4.9
379.06625	3.5
387.07251	64.3
417.08240	28.1
447.09204	7.0
449.13144	7.0
489.10349	4.8
507.11502	18.7
627.15204	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	627.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03440	4.3
59.01384	11.2
68.96127	1.0
71.01383	26.3
71.83729	1.0
72.99318	7.6
73.02949	4.0
75.00874	23.9
77.95992	1.1
83.01382	3.3
85.02958	23.4
87.00887	6.8
89.02439	4.6
91.01916	6.0
95.01395	4.1
97.02991	1.8
99.00892	11.0
101.02457	4.1
107.01412	1.8
108.02173	6.0
109.02940	3.9
111.00854	2.5
113.02454	20.2
115.00356	3.8
117.01942	2.8
123.00908	12.1
123.03644	1.6
123.04533	21.4
124.01673	33.0
125.02450	3.3
125.42425	1.0
129.01846	1.2
131.03433	1.3
138.03250	3.2
139.00352	1.8
139.04010	12.3
149.02512	1.7
151.00386	3.5
152.01181	9.1
153.01965	8.1
157.01436	2.7
161.04515	1.5
164.19127	1.1
164.27315	1.1
166.02716	2.6
167.03503	46.6
171.78352	1.1
175.02454	4.7
175.03851	1.4
181.05025	1.4
182.19122	1.3
194.02184	1.5
209.04532	11.3
239.05620	1.1
296.05231	1.8
297.06097	1.9
311.07712	11.6
342.04416	1.3
425.10941	4.7
433.11481	2.6
437.10950	13.5
443.11615	3.6
451.12442	9.5
477.12219	5.0
504.06982	1.3
567.13202	1.9
609.14148	2.7
627.15649	100.0
628.16119	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	627.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	10.0
65.90540	3.0
68.99815	3.5
69.03448	13.2
71.01360	10.8
71.12416	3.5
73.02934	4.3
75.00854	5.7
77.85046	3.5
79.01884	3.9
81.03469	17.2
83.01386	15.0
85.02943	17.7
87.00893	5.1
93.03447	10.9
95.01376	4.5
95.05038	6.1
97.02945	27.5
99.04514	4.3
101.02437	15.6
105.03455	11.1
105.47444	2.6
107.05024	6.4
108.02178	4.2
109.02966	35.4
111.00892	47.3
111.04535	21.6
113.02456	5.9
117.02729	3.2
117.03473	12.3
121.02979	15.5
123.00895	8.6
123.04513	14.3
124.01667	8.1
125.02454	62.9
127.04011	8.8
129.01933	7.9
133.02956	5.2
135.04552	16.3
137.02467	52.1
139.04013	30.8
141.01964	11.5
147.04543	3.3
149.02484	20.3
151.00388	3.5
151.04048	25.6
152.01091	3.9
153.01955	66.3
154.02687	7.2
155.03470	4.3
159.04524	4.6
161.02435	7.2
163.04004	6.7
165.01900	15.3
166.02727	4.0
167.03484	22.8
177.01942	9.5
177.05583	3.2
179.03514	38.6
181.05057	4.8
182.02155	8.5
183.02995	31.7
191.03470	8.7
193.01398	11.0
193.05064	8.5
195.02991	37.5
203.03406	4.0
207.02962	10.1
207.05084	18.5
209.04694	3.8
217.05013	3.9
221.04599	6.9
221.06612	7.3
225.04068	6.0
239.05530	4.8
240.45763	3.1
243.05014	5.2
257.06601	11.9
261.06070	17.6
267.02963	7.5
271.08337	3.1
275.07758	4.8
285.03738	6.0
285.06454	4.0
299.05243	7.2
299.08237	3.8
303.07263	51.0
311.05515	3.8
327.07269	20.6
341.06451	5.7
345.08295	94.1
353.04706	3.5
355.06717	3.9
375.09503	4.3
419.09888	19.2
423.11334	13.9
465.12561	84.8
489.10468	8.6
492.87604	3.0
507.11508	57.5
627.15656	100.0
628.15869	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	627.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12107	3.2
58.58118	3.1
65.96809	3.0
65.99836	4.3
67.02993	2.8
69.76830	11.7
81.03458	7.1
81.45360	3.2
83.74393	2.8
87.42592	3.0
96.00909	4.4
97.60434	2.9
97.67622	3.0
98.21985	3.4
99.00886	3.1
102.30290	2.8
108.04590	6.7
110.02512	10.2
112.00407	3.3
114.69693	3.3
118.12980	3.0
119.05045	5.1
122.02503	14.1
123.03282	4.8
134.02521	5.6
135.03322	4.6
135.04604	4.0
136.04076	3.7
137.02455	4.0
138.01985	4.1
141.01985	3.9
145.06615	7.5
147.04520	4.4
148.00650	3.1
151.02765	6.5
151.10614	2.9
161.68944	3.3
163.99979	5.3
170.05255	3.0
171.04610	5.4
180.06750	3.9
187.07651	4.5
225.09254	4.4
240.06596	3.7
242.08253	42.0
256.09872	4.1
268.06155	10.8
270.07730	100.0
271.06097	8.7
284.09219	4.6
294.07745	9.6
295.06714	4.1
296.05643	19.6
298.07126	4.7
312.08841	26.2
326.06839	16.2
348.08740	3.1
356.07751	23.1
453.84293	3.4
460.10406	11.7
521.07294	3.2
548.13507	6.8
566.14581	19.4
583.17535	6.0
610.13446	40.6
628.13666	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	627.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59518	11.6
93.43699	3.2
96.96007	10.2
109.02980	3.6
118.21944	3.8
121.02979	66.9
123.14119	3.4
125.02386	3.7
165.01976	100.0
167.03459	7.1
193.01498	3.2
198.26700	3.1
216.30266	3.3
216.66641	2.8
223.94283	4.1
280.36401	2.9
285.03922	4.0
303.05179	6.2
345.08563	3.9
386.39697	3.0
465.10330	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	627.2103
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
73.02943	1.8
76.94894	1.2
78.33040	1.1
79.73020	1.0
80.99525	1.1
81.61486	1.1
93.55818	1.2
100.13979	1.0
135.04453	1.5
145.52196	1.2
147.58968	1.4
192.41754	1.5
289.74136	1.4
437.12222	1.4
451.14258	1.3
452.14734	4.7
480.14316	1.3
481.15207	9.4
482.16074	1.5
495.16806	21.5
496.17145	2.2
498.15817	1.3
507.16959	1.5
508.17490	4.5
509.18213	2.7
523.16827	1.3
535.16138	2.5
536.17236	2.2
540.16113	2.4
551.19489	45.6
552.19666	4.8
554.18463	1.9
555.19037	1.3
572.15350	1.5
595.18250	9.5
627.20905	100.0
628.21106	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	627.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	33.2
61.98839	31.5
69.12973	100.0
73.97401	14.3
83.09391	15.6
92.79260	13.4
98.22613	36.3
102.10191	14.7
119.04999	16.7
122.00335	14.0
135.04446	17.3
212.09529	17.2
279.11249	25.6
385.44897	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37050	1.4
57.31275	1.5
59.01385	100.0
61.98826	1.8
71.01388	5.9
71.82108	1.5
72.99322	4.2
73.02917	1.8
85.02962	5.5
88.98816	3.6
89.02451	3.0
96.96020	19.4
101.02455	2.3
101.99514	1.6
106.30139	1.7
108.02180	3.4
109.02998	3.7
113.02462	3.8
113.55000	1.5
119.04975	1.5
123.04528	3.1
135.04578	3.6
137.02504	2.6
139.00427	2.3
146.03703	10.4
152.01187	4.1
153.01913	5.9
161.06126	3.4
164.04799	6.8
165.01949	34.0
167.03557	5.9
168.00644	1.7
179.03487	11.5
179.07124	20.2
180.04306	26.9
193.03548	2.6
194.05946	3.8
195.02982	2.8
195.04872	1.3
195.06645	41.7
210.05368	6.2
225.07703	75.5
226.07983	1.8
297.06323	2.6
299.09225	3.4
327.08719	8.5
342.11169	8.8
357.13452	42.9
385.40305	1.6
392.14264	1.6
405.15570	21.0
465.14127	5.0
627.15839	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	627.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	92.9
59.27842	3.5
69.73171	2.9
70.79317	3.3
71.01365	19.9
71.39879	5.1
73.02955	5.9
85.02951	6.4
85.18467	3.1
89.02458	5.7
93.84242	3.8
99.00862	4.6
99.54278	3.3
101.02450	8.2
109.80331	3.7
111.50343	3.3
113.02464	5.2
115.00205	3.7
121.02967	4.7
122.03750	5.3
128.03510	3.4
149.02449	24.5
150.03249	66.6
151.03703	3.6
161.02481	5.6
161.04561	3.9
164.04839	4.8
165.05571	99.4
165.06871	7.1
176.04767	8.1
179.03513	9.8
180.04231	6.3
180.68301	3.3
185.11862	4.6
191.07143	3.6
194.05861	17.9
195.06631	100.0
202.64198	3.4
209.08211	41.4
210.08751	3.2
322.77859	4.2
342.11026	7.1
355.77887	3.4
357.13379	47.7
405.15607	24.3
495.24683	15.5
627.29053	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	627.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82985	3.9
69.00946	100.0
69.36786	15.0
70.97281	4.5
90.14491	3.8
100.33791	4.1
103.01498	7.1
119.05138	4.2
122.02505	4.3
122.68241	3.9
133.49007	4.2
277.28696	3.8
280.85519	3.6
291.67841	3.7
609.41504	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	627.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42897	0.3
56.08983	0.3
59.01383	2.6
61.98836	0.8
63.67308	0.4
67.27518	0.3
68.11382	0.3
69.24641	2.1
79.95741	3.9
89.02480	0.3
96.96021	100.0
113.02516	0.4
119.05053	0.6
135.04556	0.9
149.02512	0.4
189.55804	0.4
227.92570	0.4
239.03275	0.4
282.88223	0.4
359.14215	0.4
541.26910	11.3
542.27448	0.6
583.27991	29.1
584.28180	2.5
609.25842	1.2
627.27008	6.9
628.27374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72173	1.6
65.00318	4.9
65.99863	8.5
84.46976	1.5
107.01420	2.5
111.00887	2.0
116.02545	2.9
125.92210	2.0
136.00423	13.9
143.02527	2.8
145.06569	2.8
147.04518	2.2
151.00349	4.7
158.83591	1.6
163.99870	8.9
165.00681	1.8
171.02084	2.5
171.04506	7.6
172.01500	2.7
175.99893	6.0
185.02350	3.2
199.01526	5.8
210.03040	1.8
211.07603	2.2
212.01013	3.8
213.01765	2.8
213.05603	3.3
227.00974	28.7
228.01566	2.1
238.05051	2.2
240.00516	3.5
240.06706	2.5
241.01237	3.2
242.02071	2.8
242.08290	2.7
254.01859	1.8
255.00482	24.9
255.06604	15.1
267.99973	12.2
268.06152	22.6
270.07761	6.6
276.04135	2.2
280.03690	3.3
280.06238	13.5
281.70514	1.8
287.08301	2.5
300.07864	2.7
316.07254	5.9
319.07327	2.0
324.02478	1.8
331.07245	8.4
332.03168	2.2
344.06732	6.3
345.07730	2.0
359.06757	100.0
360.06906	3.6
370.08289	3.8
372.06238	34.8
373.06622	1.8
374.04163	3.7
386.07785	1.9
428.08578	2.8
480.08344	5.5
494.12305	3.0
524.07373	17.7
525.07794	1.8
566.13629	3.6
578.14337	2.2
584.14539	5.4
600.13971	10.2
610.12769	4.9
628.13605	86.6
629.13702	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	628.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27010	6.7
52.88253	7.4
59.01384	43.6
69.11031	20.9
69.11445	40.2
86.85159	8.8
113.06107	31.6
119.08698	13.7
139.04007	23.0
163.07671	31.1
169.71104	8.8
205.77034	10.1
239.90399	8.7
273.14981	100.0
347.18628	46.0
407.20932	16.4
481.02606	8.7
541.84241	8.4
593.68353	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	629.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88455	0.3
52.15843	0.3
59.01387	0.4
61.00464	0.3
65.00330	0.5
68.92574	0.3
69.03612	1.8
71.01367	0.6
78.95909	2.0
79.95750	4.0
94.98067	0.3
96.96019	100.0
96.97009	2.7
101.02463	0.5
114.93414	0.8
127.05129	0.6
128.03583	0.6
132.46472	0.3
136.98717	0.5
164.98329	0.5
184.05254	0.3
199.03976	0.3
220.58655	0.3
241.05101	0.5
242.08279	0.5
267.03070	0.7
268.03757	5.8
269.04703	1.5
270.07718	0.5
283.06140	5.9
301.55035	0.4
325.07260	1.4
359.12756	0.4
366.00784	0.5
381.02975	2.5
397.99573	1.1
458.23911	0.3
608.64008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97362	1.5
63.19960	1.6
65.00337	10.0
68.99818	6.3
69.76942	4.9
72.97578	1.6
73.46304	1.8
82.01552	1.8
84.97552	1.8
86.17156	1.8
92.29110	1.7
95.01376	2.3
97.98329	2.3
98.22576	2.9
113.97872	2.5
124.01666	5.9
136.97072	2.8
136.98827	7.0
137.97964	2.0
139.00400	3.3
141.07047	2.8
141.97302	10.5
152.01143	3.7
154.98111	1.9
164.98299	13.5
165.97302	5.8
166.98093	2.9
169.06596	4.2
169.96826	7.2
171.04462	2.2
171.08125	2.8
173.06096	2.9
177.99127	3.9
180.75099	1.9
181.06657	2.6
185.05931	2.0
192.95976	6.3
193.01448	4.1
193.96829	5.3
194.97791	1.9
195.08214	2.6
196.95482	3.4
197.06099	3.5
197.96178	8.9
199.03862	1.7
220.95493	5.8
221.96359	3.3
225.05647	5.4
241.05132	9.9
243.06657	10.4
252.98224	2.3
253.05075	2.7
257.02829	2.4
269.04614	34.3
270.05084	2.2
270.07739	4.0
271.06256	29.7
272.06787	1.9
274.03134	2.8
275.03781	2.1
285.02313	10.3
299.03784	2.0
301.01743	13.0
302.02533	20.5
303.03345	100.0
304.03845	3.4
323.05881	4.0
325.01651	4.6
327.03427	5.2
357.04416	55.4
358.05051	6.0
359.06012	10.4
398.13974	11.0
558.19281	3.6
629.11560	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	629.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02325	0.5
55.49423	0.5
65.00323	0.9
65.99842	4.8
67.03034	0.7
69.83155	1.9
96.00907	1.3
98.12764	0.6
98.21996	1.0
102.22715	0.6
104.49849	0.5
109.01699	1.4
110.00114	0.6
110.02480	2.3
118.04145	1.1
120.00872	1.2
121.01702	1.9
122.02467	1.0
123.03281	2.9
134.02475	2.5
135.03278	4.4
136.00403	3.9
138.01988	2.3
142.04141	0.8
151.02800	3.7
155.02286	0.8
158.03653	1.1
160.05180	1.3
163.99916	3.6
165.00693	4.4
166.01477	1.0
170.03609	1.2
171.04446	1.4
175.99881	1.5
179.02251	0.6
182.03624	0.9
182.53271	0.6
186.03113	1.8
188.04707	1.0
192.03023	2.4
198.03059	0.8
199.03979	1.1
199.49332	0.5
210.03035	1.2
224.07141	1.6
225.05630	0.9
226.02632	0.7
226.05020	0.6
226.08739	1.8
228.06693	1.2
238.05035	0.6
241.05035	1.0
242.08253	34.3
243.08690	0.8
252.06664	1.5
254.02083	23.9
255.02798	1.8
268.03394	1.3
268.06158	11.0
269.06909	5.4
270.07727	100.0
271.08020	4.3
280.06107	4.2
314.09332	0.6
316.07239	0.7
330.08948	1.5
342.08643	0.9
358.08353	70.7
359.08929	7.5
360.09894	7.6
361.09897	0.7
437.63797	0.6
611.16199	1.0
629.16626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59068	2.7
57.03448	4.5
65.00331	7.0
65.99854	5.3
69.76729	12.3
75.10456	2.8
81.03461	7.5
82.02996	11.4
96.00919	7.0
97.13863	3.3
98.02465	5.9
99.04531	4.9
102.34107	3.1
108.04566	21.2
109.01694	3.3
115.03709	3.7
123.04499	3.7
124.04064	20.2
126.01948	19.7
130.33543	3.3
136.00423	39.4
145.06586	12.1
147.04521	5.1
151.00479	4.2
152.03566	29.2
163.99925	32.6
165.00620	13.6
169.06674	5.1
170.04597	29.5
171.04608	5.0
173.06113	4.5
182.08224	6.7
190.01569	6.2
192.06532	3.2
213.05568	3.1
214.03572	12.5
224.07164	5.3
226.05031	5.0
240.06688	7.9
242.08284	6.6
254.08325	3.5
255.06686	33.1
268.06165	100.0
269.06812	12.4
270.07724	15.9
271.06137	5.2
272.09250	5.6
288.12448	7.1
294.07712	15.8
296.05875	3.3
314.00339	3.5
326.10419	8.3
336.08908	5.5
378.09860	10.5
378.76657	3.4
393.10837	4.8
414.13519	71.6
415.13507	4.5
419.12506	7.9
432.15015	3.9
441.87262	3.3
442.12857	3.6
450.56226	3.5
451.15390	4.9
484.13696	20.7
523.15015	4.8
541.16235	17.9
557.19281	6.1
567.17389	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	629.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80402	1.1
57.03441	2.2
59.01387	14.6
65.25172	1.0
69.14871	3.9
69.15273	2.5
71.01389	18.0
73.02933	1.7
79.55463	1.1
85.02959	17.9
87.00896	1.6
89.02464	9.4
95.01397	6.7
99.00896	1.3
101.02474	2.9
113.02465	41.1
119.03503	1.3
121.02971	2.5
123.00906	1.3
123.04551	2.7
131.03519	4.0
135.04539	31.6
137.13603	0.9
137.30898	1.2
138.97523	1.2
149.04575	1.8
151.04039	1.9
153.05609	1.8
161.04584	1.9
165.01994	3.1
166.99844	1.5
191.05690	1.5
308.40271	1.1
315.10880	3.1
461.16931	9.2
591.19537	2.7
593.20929	100.0
594.20862	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	629.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
61.98811	0.8
65.00324	2.2
70.27420	0.5
71.01384	1.7
71.39848	0.5
71.40301	0.5
72.90936	0.5
72.99313	0.5
73.02953	1.2
82.95433	1.4
83.01406	0.8
83.76823	0.5
85.02972	0.5
87.00852	0.6
89.02467	1.4
91.01910	10.5
95.01378	1.1
96.96022	1.5
97.03005	0.5
99.00895	1.3
101.02427	1.1
108.02183	5.9
109.02998	0.5
111.00891	0.9
113.02509	1.2
116.92844	0.8
117.03487	1.0
119.05039	1.5
123.00900	1.7
123.04541	29.7
124.01675	3.2
125.02469	1.8
133.03073	0.6
134.03760	1.1
135.04544	2.1
149.99609	4.1
152.01172	3.7
167.03517	100.0
168.00668	8.1
168.03847	1.7
169.01389	0.5
187.04054	0.5
193.04945	0.5
201.11334	1.1
209.11852	2.9
255.03088	0.7
276.09134	0.8
291.11383	3.2
335.10291	0.8
351.77618	0.5
375.16931	0.7
381.10205	0.7
475.18533	0.5
585.21790	1.5
597.23749	1.6
629.24615	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	629.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49605	1.0
59.01382	7.3
61.98833	5.1
69.10545	6.6
70.17114	0.9
71.01381	3.6
72.99310	1.3
73.02949	1.7
75.49072	1.0
82.95407	1.4
85.02960	2.8
88.82614	1.0
89.02466	1.2
89.03970	2.1
96.96020	4.1
99.00877	1.5
101.02454	2.7
113.02458	1.7
116.92883	1.2
117.03489	7.4
119.05009	4.9
132.02193	3.0
133.02986	1.7
134.03758	84.7
135.04482	4.3
137.02498	1.1
149.02441	1.3
149.06079	8.3
160.01711	9.8
172.29753	1.1
175.04022	11.9
178.02672	2.1
193.05075	100.0
194.05348	2.4
201.11406	1.2
209.11768	1.1
223.06102	1.6
235.11839	1.4
285.03940	1.5
286.04330	1.2
349.15613	1.2
381.09515	1.2
409.17245	1.5
505.34207	1.3
585.22083	3.8
629.09259	3.2
629.28632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91005	1.1
59.01380	7.8
61.25463	1.2
62.92718	1.2
64.92355	1.3
68.95782	1.0
71.40030	1.3
89.02557	1.4
96.96039	4.8
98.95611	1.4
108.31364	1.4
116.92834	1.5
117.03480	3.3
119.05044	5.7
120.08195	2.4
122.02505	100.0
122.06115	3.7
122.65070	1.5
123.02849	1.3
135.04535	8.8
145.02892	1.3
168.00740	1.3
178.88651	1.1
196.02509	2.0
211.13467	1.7
255.03049	1.4
284.03366	2.0
290.66641	1.2
344.14102	2.0
360.17395	1.9
379.17297	3.2
387.10403	1.2
434.17166	3.1
463.19794	1.8
474.16214	1.7
553.24695	8.1
597.23511	2.6
629.15662	1.9
629.25793	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	629.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26097	3.0
61.98832	3.1
75.41229	2.9
79.03723	3.0
81.18716	2.7
82.70319	2.8
83.74634	2.7
95.04958	2.7
122.02493	100.0
127.64607	3.2
151.79709	3.2
180.32932	3.2
183.66223	3.5
415.97174	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	629.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01175	0.3
59.01390	4.2
61.98838	1.2
70.20421	0.9
70.20782	0.3
71.01387	1.4
73.02940	1.1
82.95419	1.1
83.01405	0.5
83.89912	0.4
85.02968	0.7
93.03470	34.0
94.03783	0.7
101.02474	0.8
110.06132	0.6
113.02473	0.8
117.03484	1.2
119.05055	2.3
120.08153	0.5
122.02501	1.0
122.06145	1.7
135.04523	3.4
137.02463	100.0
138.02791	1.5
149.02457	0.5
160.06435	0.7
196.02744	0.4
213.10361	3.0
239.11876	0.7
241.13551	1.7
284.03207	0.9
285.03918	0.5
285.12482	7.8
291.17865	0.5
293.13062	0.5
300.02844	0.5
301.11746	0.4
311.10495	0.5
343.13086	0.7
511.23425	1.0
553.24622	4.4
556.22766	0.5
585.25623	4.3
586.25287	0.6
597.23553	3.6
629.16364	0.7
629.26202	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	629.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03435	1.8
59.01385	49.1
61.98839	1.7
66.27289	1.1
69.03458	2.5
69.51257	3.4
71.01392	27.0
71.05020	5.0
72.99294	1.0
73.02952	20.0
80.82430	0.9
83.01404	3.6
85.02966	8.2
87.00878	1.7
89.02460	10.0
95.01419	1.2
96.95992	1.1
97.02965	2.2
99.00868	2.2
101.02452	17.4
111.00899	1.1
113.02451	6.7
115.04007	5.6
119.03490	2.4
124.01702	1.3
125.02482	1.7
125.99645	1.1
128.03535	0.9
131.03441	1.6
152.01178	1.1
161.04573	3.0
175.41170	1.0
177.05640	1.6
189.12756	1.0
205.15926	1.2
275.20087	1.0
293.09247	1.3
293.21359	1.4
294.09781	1.7
310.47720	0.9
319.19174	17.1
337.20163	1.8
421.20886	5.7
431.22974	1.8
481.24634	3.5
499.25494	5.6
523.25360	1.7
541.18726	1.8
541.26605	29.2
542.26843	1.7
543.24585	6.5
553.20209	1.0
567.24500	3.4
583.26160	17.1
584.26154	1.2
585.25586	100.0
586.25781	7.3
629.24664	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	629.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03463	1.1
57.53106	0.7
59.01385	43.4
60.01705	0.9
61.98855	0.8
64.81412	0.8
69.14851	1.9
69.15254	2.9
71.01385	16.7
71.05041	3.8
73.02956	9.6
75.00846	0.7
83.01393	2.8
83.08434	0.7
85.02950	10.4
87.00890	1.2
89.02448	3.5
94.78574	0.8
95.01395	1.9
96.96009	1.0
99.00874	1.6
101.02457	9.3
113.02473	5.9
115.04010	1.7
117.03403	0.9
119.03532	1.8
121.06553	0.7
123.23389	0.8
124.01665	1.8
125.02454	0.9
125.09772	4.2
125.99539	0.8
142.93164	0.9
161.04556	2.6
162.95012	0.7
193.05081	0.9
198.09709	0.7
281.09055	0.8
319.19174	6.8
349.60620	0.7
401.07101	0.9
481.24289	2.1
499.25467	4.1
507.22684	1.5
523.25269	1.3
541.26495	19.4
542.27039	1.2
543.24542	4.5
567.24744	4.1
585.25574	100.0
586.26105	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	629.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40243	0.9
55.01878	1.5
57.03460	1.4
59.01385	34.9
69.03481	2.1
71.01395	9.9
73.02947	7.3
83.01390	2.8
85.02957	3.9
86.62431	1.0
89.02457	2.0
96.96029	2.0
99.00896	1.5
101.02457	6.4
103.55722	1.1
111.08239	1.0
113.02425	1.2
124.01653	6.7
205.07516	1.4
231.13956	1.9
245.19106	3.3
263.20016	1.5
275.20200	11.1
301.18185	1.4
305.21527	1.6
311.42883	1.1
319.19125	5.1
337.20087	3.6
391.84323	1.2
422.51038	1.2
481.24445	3.6
499.25565	5.8
523.25238	6.1
541.26648	13.5
543.24695	3.3
567.24493	15.4
585.25555	100.0
586.26001	8.1
629.24194	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	629.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57344	0.8
57.03439	1.5
59.01385	30.3
61.98832	2.7
69.03461	4.9
71.01386	11.7
73.02955	12.9
78.79221	0.8
79.95736	1.0
80.02697	0.9
83.01417	3.7
85.02959	6.0
87.00900	1.6
89.02470	3.9
95.01392	1.3
96.96009	4.1
97.02983	2.0
97.53507	0.9
98.21833	2.2
99.00915	1.6
99.04547	1.2
101.02461	9.7
113.02454	4.2
121.06630	5.2
124.01646	4.5
128.03601	1.8
153.09201	1.2
161.04576	1.0
162.03258	1.0
177.05603	2.4
189.12927	1.1
196.02621	1.0
196.51202	0.9
205.16037	0.9
245.18848	1.3
263.20172	3.9
271.17105	1.6
275.20248	2.6
289.18167	2.0
293.21188	2.4
319.19092	5.4
321.20840	2.4
337.20276	12.2
351.27985	0.8
481.24570	3.5
499.25443	9.3
519.76764	0.9
523.25024	1.5
541.26636	14.1
543.24420	2.9
567.24664	8.3
585.25580	100.0
586.25616	8.9
629.23145	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	629.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33446	88.2
58.77723	67.2
93.56178	68.6
103.09534	81.3
145.96513	73.5
150.59477	80.1
171.31306	89.6
199.20734	91.5
249.41298	71.3
304.30978	79.3
405.44037	86.9
421.34390	100.0
485.89810	89.8
607.54016	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.7
66.17827	2.4
77.53848	2.2
78.09898	2.2
88.90451	2.6
96.96028	10.8
97.55846	2.3
98.21825	6.6
98.95612	5.8
114.98473	2.3
119.05011	5.5
120.08209	41.6
122.02505	49.1
122.06136	42.7
135.04533	3.1
201.10373	4.1
253.09822	5.5
281.09610	3.1
282.10031	4.1
311.10388	7.7
327.10315	3.4
330.12476	15.4
332.17828	2.9
333.16132	6.2
341.11481	7.2
342.12424	6.0
344.14035	25.9
345.14853	11.4
356.14017	5.4
356.17789	5.2
358.15652	16.0
359.16415	6.1
360.17154	41.4
372.17435	13.1
385.14334	5.1
386.14978	16.8
388.16721	12.3
389.17566	5.4
390.18140	6.7
400.16751	21.5
401.17325	4.7
404.16077	16.1
416.16199	7.9
430.17749	12.3
431.18591	24.3
432.19272	3.5
434.17285	54.9
435.17334	5.5
445.16113	3.2
474.16858	18.4
475.17453	15.0
506.19260	25.3
507.20026	5.8
509.25613	4.9
553.24609	100.0
554.24646	7.2
584.68713	3.0
585.28223	5.6
597.23633	36.1
629.26276	78.7
630.26166	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	629.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.4
61.98819	2.3
68.99865	1.2
71.01405	1.2
82.51302	1.1
83.01370	1.3
85.02950	1.6
94.06622	2.6
95.05046	1.6
106.06573	1.2
110.06140	8.1
117.03442	1.8
119.05041	6.7
120.08204	4.1
121.05363	3.2
122.06129	27.3
122.06955	2.1
130.06645	2.3
134.06143	11.6
135.04515	6.2
137.02444	2.2
140.59334	1.1
144.04617	3.3
159.05638	1.6
160.06448	9.5
161.04854	5.8
162.05539	1.6
174.05598	7.3
193.92262	1.2
198.08139	1.4
201.11336	3.1
203.05901	2.2
203.11900	2.1
209.11848	1.8
209.86867	1.3
213.10341	43.3
214.12425	1.7
215.11873	2.5
223.08745	2.5
225.10347	3.5
226.11140	4.7
227.07162	1.9
233.12953	1.2
239.11919	18.0
241.13489	24.5
251.11868	4.3
253.09651	1.5
264.08585	1.3
276.09006	1.3
277.10004	1.3
281.09256	1.3
283.10886	4.3
284.11508	1.3
285.12466	100.0
286.12793	3.7
291.11392	2.5
293.12885	8.0
301.11975	3.7
311.10480	2.0
313.11990	1.5
314.12994	1.6
315.13663	2.0
325.11935	2.1
328.11050	1.6
330.16162	2.8
341.11716	1.9
342.16119	1.6
343.13116	8.1
344.17685	3.0
345.18506	2.4
354.12283	2.3
354.16153	3.3
355.13092	2.2
356.14075	10.5
357.14853	3.2
368.17688	2.7
369.14597	2.2
370.15616	18.3
371.16397	10.9
372.17188	8.9
382.11795	3.3
383.12610	2.2
384.13541	4.0
391.61246	1.4
397.14435	1.5
398.15048	16.6
403.15338	3.5
412.16721	10.8
413.17380	7.5
414.18018	1.6
416.16263	2.6
481.22510	1.9
485.25659	1.9
489.17648	1.5
491.24368	2.1
493.22510	8.2
511.23486	16.1
523.23572	5.6
535.23529	27.1
536.23663	1.8
553.24634	65.9
554.25189	5.7
556.23468	4.2
567.22681	2.3
579.22668	8.4
597.23602	75.2
598.23669	4.6
599.24988	1.3
611.25085	4.7
629.16327	2.6
629.26233	32.7
630.26147	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	630.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33488	0.8
65.00329	3.1
65.99865	1.2
76.00075	0.9
76.50533	0.8
83.45480	0.8
84.91854	0.9
109.01688	1.2
111.00909	1.2
117.07101	2.6
120.00974	1.6
121.01698	1.3
145.06590	1.0
148.04071	2.8
156.08182	4.5
159.04515	2.7
165.00697	4.7
169.06618	2.6
171.04532	4.2
180.08182	4.7
184.07703	2.6
190.01476	2.5
192.95966	1.0
206.09767	2.0
208.07788	0.9
216.03017	1.8
222.09334	1.4
224.07248	1.4
226.08820	8.2
227.34273	0.9
230.40364	1.1
240.28339	1.0
241.05164	1.2
242.08209	3.0
250.08752	3.5
252.06534	1.3
253.04968	0.9
268.06177	2.7
269.04495	1.5
269.07010	3.7
270.07715	12.1
280.06259	1.2
285.02264	1.1
288.14175	1.1
292.06448	1.1
294.07800	9.1
295.08438	1.0
296.05640	1.0
303.03287	2.9
304.03455	2.3
307.08569	2.2
336.09686	0.9
341.08221	1.4
341.70935	0.9
354.14978	1.2
356.12848	1.9
357.04349	1.7
358.04324	1.4
370.13989	1.0
380.12863	2.3
382.10809	2.7
398.14005	100.0
399.14514	6.8
422.13751	1.3
450.13412	3.6
494.12073	1.3
542.19781	18.2
543.20715	2.1
558.19373	10.0
559.19421	1.8
594.15924	1.9
630.18292	5.1
631.18829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59276	41.8
68.73252	42.7
80.71223	45.0
93.03495	75.7
94.03773	48.4
131.72060	44.2
137.02502	100.0
260.50455	50.3
429.86160	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01701	0.8
61.98831	1.1
66.23859	0.4
66.90984	0.4
69.06058	2.7
75.84822	0.4
97.02962	1.1
100.33282	0.4
119.05052	2.0
122.02503	13.1
122.03374	0.7
123.44817	0.4
128.66408	0.4
131.03253	0.4
135.04555	1.2
143.05144	0.4
187.63669	0.4
276.09460	0.4
334.15860	0.4
386.01074	0.5
465.80927	0.4
610.53662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78109	9.6
59.01407	11.3
61.98843	19.7
64.65011	11.0
99.04554	12.4
100.80943	10.0
111.51647	10.5
115.04031	100.0
117.05589	81.5
127.87482	11.3
134.06184	11.3
159.06694	42.5
160.84261	37.2
192.67450	11.1
244.91492	10.9
264.20734	11.1
300.88141	11.4
356.96881	11.7
429.33987	11.3
489.06265	13.0
512.57965	13.2
539.87280	11.6
636.98334	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	630.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.8
65.36304	2.5
66.33758	2.7
71.05025	7.6
75.81174	2.5
88.23997	2.3
90.08401	2.5
99.04543	7.8
115.04020	100.0
117.05592	73.8
117.06423	3.2
141.30078	2.4
159.06641	47.1
159.29605	2.4
198.88741	2.8
275.30231	2.9
313.58322	2.8
399.22113	3.7
407.18631	2.9
587.28516	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55726	0.3
59.01359	0.9
65.00038	0.6
65.00331	6.4
67.93499	0.3
69.89661	0.8
69.90004	0.4
98.22594	0.5
108.02135	0.7
108.99292	0.4
110.00082	1.5
111.00871	0.6
115.61523	0.3
133.02985	1.6
134.03719	1.6
135.04462	0.5
136.97807	0.7
136.98822	10.5
139.00333	0.7
149.99588	0.9
158.03789	0.5
164.01172	0.5
164.98322	0.6
165.99051	1.5
166.99811	0.5
171.04584	0.4
172.05237	0.7
173.02435	0.6
174.03191	1.6
184.30777	0.4
185.02324	0.4
188.04787	1.1
199.04033	1.8
199.20747	0.4
200.04799	1.6
201.01926	3.6
202.02708	1.5
213.01985	0.5
213.44228	0.3
214.02660	0.3
215.03477	0.5
216.04247	2.2
227.03545	2.2
228.04234	3.0
230.02150	0.7
239.24184	0.4
243.02988	1.3
244.03867	0.5
255.02924	1.3
256.03714	0.4
271.02509	0.7
272.03253	1.3
283.02374	0.7
299.01901	2.3
300.02765	100.0
301.03131	3.3
315.05118	92.2
316.05420	2.9
391.21231	0.6
530.85236	0.4
607.33691	0.4
638.75250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78222	0.4
50.80238	0.4
59.01382	6.2
61.36715	0.3
65.00320	2.2
65.99850	2.6
66.03468	0.9
68.99823	0.7
70.02988	2.0
74.99557	0.3
81.02174	0.6
82.03001	0.5
94.02967	1.5
95.01413	0.5
96.00919	0.6
98.02487	10.7
109.01681	2.5
110.00066	0.8
110.02489	5.2
116.05056	0.6
118.02992	0.6
120.00931	1.3
120.04549	0.8
120.99322	0.4
121.01709	2.1
122.02490	2.9
123.03284	3.4
124.00368	0.6
132.04527	0.5
134.02501	4.7
135.03304	5.2
136.00446	3.7
136.04065	2.0
136.98788	1.0
137.01221	0.7
137.07104	0.4
138.01978	2.6
139.05141	0.9
143.05017	0.5
144.04581	1.6
145.06641	0.7
146.02512	0.9
150.01944	0.5
151.00314	0.4
151.02774	4.7
155.02261	0.7
157.06555	0.7
160.04037	3.3
162.01952	0.6
162.05624	0.8
163.05157	0.9
163.99905	2.1
164.03566	3.2
164.04886	0.5
164.98283	1.7
165.00688	9.3
165.05574	0.8
166.01474	2.2
171.04512	3.5
173.06055	1.0
175.99895	1.4
176.03471	0.5
178.01395	0.5
179.02328	0.4
181.06612	0.5
185.06157	0.6
186.01920	0.5
187.05139	0.7
188.03584	2.5
190.01454	1.0
192.03027	3.6
197.05963	0.4
199.07729	0.6
200.07201	1.2
204.03036	1.4
207.04121	3.8
211.07712	0.6
213.05685	0.5
214.01469	1.0
214.08853	0.4
224.07159	1.8
225.05643	0.7
226.08720	2.0
228.06686	2.0
231.04141	2.2
232.02563	1.1
238.05154	0.7
240.06711	0.8
241.04980	0.5
242.08247	40.4
243.06412	0.6
243.08565	1.6
250.08763	1.0
252.06644	1.6
255.06648	1.4
257.05420	0.4
264.10324	1.0
266.08102	0.6
268.03604	0.4
268.06180	4.8
269.04507	4.0
269.06964	6.0
270.07727	71.1
271.08182	3.1
274.08685	0.5
276.06570	0.5
280.06290	4.2
280.09421	0.6
290.08182	1.2
292.09830	2.8
293.09464	0.8
294.07803	0.6
298.72852	0.4
308.09302	13.8
308.19247	0.4
309.09772	0.4
318.07587	0.6
335.10416	11.9
336.08765	11.3
337.09103	0.7
353.11441	65.1
354.11792	2.9
379.09372	100.0
380.09744	5.3
395.13263	0.5
397.10422	3.7
398.10123	0.4
401.64728	0.4
421.10504	3.3
543.19153	0.7
587.28119	0.5
631.15997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11742	1.2
59.01394	6.5
59.92037	0.9
65.00331	6.3
65.99854	3.1
68.99806	1.7
70.02990	1.6
94.03036	1.3
95.01434	1.0
98.02494	11.5
98.21910	2.9
109.01722	1.5
110.02491	6.6
122.02506	2.6
123.03286	4.1
132.04497	1.1
132.79765	1.1
134.02501	3.2
135.03291	6.4
135.04182	1.1
136.00418	3.2
136.04063	1.8
136.98822	3.8
138.01927	2.5
146.02487	2.0
151.02769	5.3
153.36679	1.2
155.02293	1.7
160.04028	2.4
163.99899	2.3
164.03540	3.9
164.98347	8.2
165.00664	8.6
166.01485	1.9
169.06602	1.9
171.04541	3.8
175.99907	1.5
188.03551	3.2
190.01418	2.7
192.03079	3.2
200.07153	1.8
204.02974	2.0
207.04141	5.1
226.08762	2.0
228.06750	2.4
231.04179	2.0
241.05211	1.6
242.08250	41.3
243.08678	1.8
255.06760	2.2
268.06128	7.0
269.04553	20.3
269.06985	4.9
270.07730	79.9
271.08032	4.7
274.08658	1.2
280.06131	4.8
292.09747	3.8
294.07309	1.2
308.09348	14.3
309.10602	1.2
335.10413	13.1
336.08719	11.1
353.11447	65.1
354.11697	3.1
363.10248	1.1
379.09375	100.0
380.09698	4.1
386.06577	1.1
397.10352	3.6
421.10571	3.5
476.09390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.183
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	3.2
65.99839	1.2
67.01891	1.2
69.03430	1.5
75.00870	2.4
81.03468	14.3
93.03461	4.8
95.01400	2.3
96.95968	1.4
96.99329	2.3
98.22668	2.4
99.00896	1.9
111.00889	2.2
121.03030	2.6
123.00870	1.6
124.01667	2.4
125.02473	1.9
129.22910	1.2
136.01691	1.9
136.98750	2.8
137.02420	1.9
139.00380	6.4
145.06572	3.1
147.00766	1.2
149.02438	2.0
150.03233	3.8
151.00450	2.0
151.92668	1.3
152.01151	2.1
163.16093	1.2
164.18515	1.4
164.98372	1.6
165.01936	5.0
166.99876	3.7
171.04527	5.3
173.06046	4.0
178.02704	2.9
185.06073	2.1
187.07671	4.7
193.01414	5.4
201.05643	2.0
211.07433	1.8
213.05618	2.0
225.05562	2.3
227.07240	2.4
229.05014	3.1
243.06625	12.3
245.08168	2.3
251.07234	2.6
253.05035	2.8
269.04556	3.8
269.08188	18.4
270.07819	2.9
271.06100	30.6
271.08691	2.0
279.06732	3.9
280.06213	2.8
297.07730	22.2
298.08112	2.0
304.07162	1.6
307.06378	6.6
321.07742	4.6
323.05624	2.4
325.06946	1.6
339.08936	1.6
383.07697	4.7
433.08701	1.7
469.12543	3.0
495.14597	2.5
511.10300	2.0
555.16278	1.8
571.16034	4.1
599.15674	6.9
613.98279	1.3
617.84625	1.8
626.87170	1.9
631.18225	100.0
632.18427	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	631.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	7.0
61.98834	9.5
62.18310	4.5
83.05026	6.1
85.02963	9.3
85.06599	47.5
87.04523	43.5
98.21812	8.5
111.04536	8.6
113.06110	16.2
115.04025	97.4
119.11103	4.3
139.04028	35.6
141.18755	4.4
148.60954	4.4
171.06656	21.2
175.28613	4.1
189.07706	56.4
193.24341	4.4
203.14522	8.9
217.15933	8.9
219.13852	6.3
245.15533	6.5
261.90686	4.4
289.14496	52.1
291.19751	5.7
299.60263	4.3
345.17108	22.9
363.18008	20.8
461.21692	31.7
535.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.8
63.33059	1.0
69.06779	1.7
69.07195	7.9
92.05044	1.3
94.06599	2.0
95.05064	2.8
98.22724	2.5
104.85355	1.2
105.05830	1.8
107.03771	4.5
110.06136	9.2
120.08201	42.5
121.05375	2.3
122.06137	73.3
131.03511	1.1
134.06131	4.0
136.07672	2.6
139.70418	1.0
144.04562	8.6
152.07205	1.6
158.00955	1.1
158.24678	1.1
160.04033	2.4
161.04895	1.4
162.05583	1.9
164.07184	4.8
172.04066	1.7
174.05615	4.9
188.03732	1.2
190.35400	1.2
199.08727	1.2
203.05920	6.4
204.06528	1.9
223.08731	2.1
225.13997	2.8
225.57214	1.4
236.09511	7.2
237.10269	5.7
239.12021	1.9
241.13562	2.2
243.15027	1.2
249.10440	2.7
249.13991	4.1
250.11174	5.6
251.11902	35.6
252.12637	4.8
253.09784	1.7
263.08261	4.6
263.11905	4.5
264.09039	5.0
264.12753	2.3
265.09863	3.8
265.13416	7.1
266.10538	2.6
267.11292	1.3
268.08203	1.6
276.09091	4.1
277.09830	24.4
278.10535	10.8
279.11301	5.0
281.09354	3.5
282.10034	2.3
283.10828	3.7
285.12302	1.6
287.14069	3.5
291.11417	23.3
292.12201	36.2
293.12997	34.1
294.13486	2.1
295.11145	2.0
295.14435	1.8
296.11511	1.5
301.11969	2.4
311.10361	1.5
313.11996	3.5
319.10770	2.4
324.11279	4.0
325.11905	2.7
325.15372	1.8
330.12430	1.6
332.13815	1.8
335.10364	9.6
336.11270	10.6
337.12054	7.5
343.13068	3.5
344.13882	2.7
345.14719	1.5
346.15405	1.5
358.15518	2.0
360.16983	4.0
372.17206	10.7
373.18033	2.4
374.18713	6.1
386.15091	2.6
390.18369	6.5
392.19626	1.3
400.16660	3.8
402.18231	3.1
403.18628	1.5
406.17514	2.9
414.18326	13.3
415.18823	4.7
418.17719	9.0
432.19260	13.7
433.19977	3.7
436.18762	4.6
441.17178	1.5
458.17368	5.8
459.18295	7.8
466.91223	1.6
476.18256	25.8
477.19052	19.4
478.19751	4.5
490.19913	4.9
495.24469	2.8
508.20932	43.1
509.21387	9.7
513.24738	3.2
525.25043	2.8
537.25208	17.9
538.26117	1.5
555.26117	25.0
555.33990	2.1
556.26312	2.4
569.24060	4.5
581.24084	13.7
599.25153	100.0
600.25879	8.1
601.26703	1.7
613.26721	9.0
631.27795	65.6
632.28223	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	631.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
60.46087	0.5
61.98828	2.5
69.65852	1.7
69.66192	0.6
80.05080	0.6
82.95444	0.5
88.95644	0.5
89.02456	0.6
92.05080	0.7
94.02988	1.7
94.06635	1.6
95.05042	1.9
96.96039	0.9
99.06606	0.6
100.69189	0.6
101.12787	0.5
105.05854	2.5
107.03783	5.5
109.05319	0.5
110.06128	9.9
119.05051	2.5
120.04594	0.8
120.08202	46.2
121.05355	3.6
121.08516	0.8
122.06134	75.9
123.04609	0.5
123.06467	1.3
124.07755	0.6
130.06671	0.7
134.06157	3.4
135.04506	1.4
136.07698	2.5
137.04892	0.5
138.01962	1.7
144.04562	8.3
144.08139	0.7
146.06090	0.7
152.07188	1.5
160.04015	2.7
160.07683	0.5
161.04810	1.8
162.05620	2.3
164.07191	2.9
167.03505	2.0
168.03857	0.6
172.04024	1.2
172.07654	1.3
173.04836	1.7
174.05609	7.7
186.05637	0.8
187.06375	0.6
188.03561	1.8
199.08791	0.8
200.07185	1.8
202.43953	0.5
203.05882	6.6
203.12012	0.8
204.06660	1.6
215.11995	2.0
221.10983	0.7
222.08014	1.9
222.11615	0.8
223.06439	0.6
223.08722	2.7
223.12392	1.2
224.09645	0.6
225.10342	1.3
225.13933	3.1
233.10835	0.8
235.08742	0.7
236.09563	9.9
237.10318	6.7
237.14005	0.8
238.11087	1.3
239.08049	0.7
239.12042	2.9
241.13506	2.7
243.15010	1.1
248.09583	1.0
249.10394	2.8
249.13945	3.2
250.07547	1.5
250.11096	6.4
251.08096	1.2
251.11906	34.2
252.12679	3.2
253.09839	1.5
253.13631	1.2
254.10567	1.0
262.07410	1.0
262.11032	0.9
263.08319	5.4
263.11829	5.4
264.09042	7.5
264.12625	1.8
265.09952	2.9
265.13425	7.4
266.10687	2.9
266.13501	0.6
267.11264	0.6
268.08591	2.1
269.09149	0.8
271.10983	0.7
275.11893	1.7
276.09000	5.5
277.09824	24.7
278.10590	11.5
279.11395	5.8
280.12180	1.1
281.09348	3.2
281.12509	0.7
282.10138	2.2
283.07971	0.8
283.10831	3.8
284.11578	1.1
285.12378	1.6
287.14117	2.4
291.11414	24.9
292.12180	33.2
293.12964	38.8
294.13501	3.5
295.10849	1.9
295.14325	1.2
296.11551	1.2
301.11887	1.7
306.10190	1.1
309.12326	0.7
310.09625	1.2
311.10388	3.3
312.11230	0.7
313.12000	2.0
319.10968	3.2
323.10431	1.4
324.11237	5.0
325.11865	4.4
325.15524	1.2
326.12460	1.2
330.12436	1.4
335.10330	8.0
336.11206	9.4
337.11942	9.4
338.12695	0.9
343.13177	3.6
344.14044	2.4
345.14642	1.0
346.15558	1.1
357.14758	0.7
358.15643	2.4
359.16537	1.1
360.17224	6.6
361.17685	1.4
362.18665	1.2
370.15359	1.1
370.19354	1.5
372.13156	0.8
372.17212	12.0
372.21832	0.9
373.17749	2.7
374.15048	0.7
374.18860	5.7
384.13599	0.8
386.15045	2.9
388.16702	0.8
390.18182	6.4
391.18890	1.1
392.19803	1.0
398.15198	0.6
399.15817	0.5
400.16635	3.8
402.18250	4.0
403.18921	1.9
404.16071	1.6
405.16571	0.9
406.17487	2.8
413.17166	0.8
414.18329	15.2
415.19043	4.9
417.17072	0.7
418.17807	10.2
419.18146	0.6
420.18811	0.6
426.14001	0.7
432.19421	11.5
433.19946	2.0
434.16858	0.8
436.18854	4.8
441.16949	1.6
444.15381	1.0
446.17310	1.9
447.18137	1.4
458.17172	4.8
459.17975	7.5
460.17981	0.6
462.16788	0.8
476.18314	25.2
477.19064	18.8
478.19736	4.7
483.24243	1.1
490.19946	8.2
491.20306	1.2
493.26254	1.0
495.24133	2.6
496.20746	0.7
508.20920	43.5
509.21567	7.3
513.24976	2.6
514.26672	0.7
525.25049	6.1
537.25031	21.3
538.25684	1.4
555.26111	21.4
556.26349	1.8
557.24323	0.7
563.22632	0.8
569.24091	6.4
581.24103	23.8
582.24457	2.2
599.25159	100.0
600.25464	8.3
601.26617	5.0
613.26727	14.9
614.27222	1.6
631.27753	54.2
632.28082	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	631.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83886	1.3
59.01387	7.8
61.98815	1.3
70.72849	1.8
71.01408	1.5
73.02976	1.6
105.05857	2.8
107.03774	4.5
108.04533	1.4
110.06136	11.5
111.96143	1.3
115.16660	1.4
119.05035	7.1
120.08207	57.4
122.06140	76.3
124.07678	4.4
135.04541	4.2
136.07701	2.0
137.04906	1.5
138.05608	1.7
144.04494	2.5
145.03009	1.6
151.30644	1.4
154.08707	2.1
164.07143	3.6
174.05597	1.4
190.69714	1.8
200.07008	2.4
203.05904	5.1
222.08174	1.6
223.08867	3.8
233.13046	1.7
236.09596	7.6
237.10326	6.6
238.11095	3.4
241.13435	1.8
250.11168	3.1
251.11971	16.4
252.12627	4.2
253.09782	3.0
263.08289	2.0
264.09036	4.0
265.13440	5.0
266.10413	1.4
268.08438	2.6
277.09842	6.7
278.10529	4.5
279.11420	2.7
282.10202	3.4
283.10855	5.6
285.12411	2.3
287.13950	2.8
291.11298	8.6
292.12167	17.3
293.12976	14.2
294.13474	2.3
295.14499	1.7
311.10315	3.4
313.11859	3.3
324.11172	3.9
325.12186	2.4
335.10355	2.1
336.11151	3.0
337.11926	4.7
337.89664	1.6
343.13004	11.3
344.13882	3.8
346.15695	3.5
358.15521	4.0
360.17154	6.6
362.14981	3.0
362.18915	2.6
372.13110	2.6
372.17407	7.4
373.17941	2.3
374.18765	6.2
377.17426	4.2
386.14792	2.9
388.16360	2.4
390.18304	8.8
391.20694	2.1
392.19897	2.6
400.16690	2.5
402.18323	4.8
404.15851	3.2
406.17694	2.3
414.18118	6.6
415.18753	3.6
418.17630	9.2
432.19366	22.5
433.19928	8.6
436.18777	17.3
447.17853	1.6
458.17084	2.7
459.17722	6.9
465.18909	2.1
476.18362	18.8
477.19016	20.8
478.19150	1.8
508.20938	36.3
509.21408	5.8
513.24890	5.6
537.25305	4.1
555.26178	58.6
556.26416	3.1
581.23859	3.1
599.25183	100.0
600.25482	5.5
613.27283	3.5
631.27789	80.0
632.28156	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	631.3856
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
53.29483	0.6
57.03455	5.0
57.03714	0.9
59.01389	9.9
60.94075	0.9
61.98818	2.4
64.05882	0.6
65.46861	0.8
67.01907	1.1
69.15754	0.7
69.88757	1.6
71.01393	3.4
72.99300	2.0
75.00880	26.1
85.02962	20.3
87.00875	2.1
95.01402	1.8
95.44784	0.6
99.00922	1.2
99.49205	0.7
112.01731	1.1
113.02466	10.9
129.01973	1.0
152.35295	0.8
154.90840	0.7
157.01501	1.4
168.96790	0.7
212.87927	0.7
219.56448	0.7
453.33817	1.7
455.35251	6.7
509.36417	1.4
555.36548	2.4
631.38574	100.0
632.38922	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	632.264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	42.3
70.11401	19.5
70.11736	12.8
75.96427	8.7
80.78217	9.2
117.03530	13.2
117.06995	10.9
117.64827	8.9
119.05012	9.7
126.59792	11.0
160.84241	100.0
162.83902	32.7
427.24521	10.6
516.16479	11.2
596.21613	15.9
632.18927	54.4
632.29559	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	632.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	0.4
60.79154	0.2
61.81825	0.2
61.98827	0.4
70.00203	0.2
70.00526	0.4
70.61978	0.2
78.03508	0.5
88.98830	0.4
89.02481	0.2
91.33685	0.2
95.50115	0.2
117.03454	0.3
119.05051	0.5
122.02496	24.8
123.02863	0.3
134.13158	0.2
135.04539	0.7
305.74326	0.2
367.11783	0.2
386.21533	0.2
407.73413	0.2
651.86462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.1
61.98831	10.3
65.66662	7.8
68.47714	8.1
70.09055	8.6
70.50504	18.3
73.04079	14.4
87.04530	39.3
93.03475	11.9
99.04488	9.7
105.43132	7.9
111.04529	14.0
115.04033	100.0
116.01164	8.3
117.05598	67.0
135.04659	8.3
159.06624	26.8
164.07144	9.8
186.12534	13.5
223.21426	9.8
257.56314	8.7
265.90192	7.9
283.23837	13.5
305.23346	8.5
331.19128	52.0
401.23108	11.9
601.39960	12.6
602.39941	21.8
631.40796	12.3
632.41168	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01941	13.8
59.01386	99.7
65.17089	13.6
71.01384	34.7
71.41518	15.4
83.01407	13.4
85.02947	23.8
89.02461	21.2
101.02466	32.9
113.02442	41.1
119.03535	17.6
125.02456	19.0
147.04546	34.0
148.65425	14.0
165.01945	46.0
167.03491	29.2
174.60750	15.4
177.78474	14.0
180.04341	46.6
185.92596	14.9
195.06635	52.7
209.08269	22.7
211.06061	20.0
225.07629	100.0
242.50777	14.9
591.26923	32.5
633.16675	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
65.00316	2.8
65.99841	4.7
68.99828	1.3
71.01395	1.1
71.38200	0.9
95.01399	1.4
96.00909	1.3
96.96013	4.0
96.99285	1.0
109.01720	1.4
110.02454	1.9
111.00887	1.4
112.98857	0.8
120.00959	1.1
123.00816	1.5
134.02502	1.0
135.03256	1.4
136.00423	6.4
136.98854	2.3
139.00325	1.5
143.05083	1.0
145.06604	2.0
149.99586	3.3
150.01898	1.0
151.00375	2.0
153.01819	1.1
154.01532	0.9
161.68916	0.8
162.01964	1.1
163.99905	7.9
164.98338	1.0
165.00653	4.6
166.01486	0.9
169.06682	1.1
171.03156	1.6
171.04514	5.0
173.06087	1.6
174.01936	1.5
175.02652	1.1
175.99902	2.7
177.00670	1.2
185.06093	1.1
187.02710	1.0
187.07596	0.9
189.00674	1.1
191.02275	1.5
192.03029	1.1
200.07211	1.2
218.00951	1.6
218.04663	1.0
225.05598	2.6
239.05963	1.1
240.06624	4.6
241.04922	1.3
242.00920	1.1
242.08267	12.5
246.08923	0.9
248.01544	1.0
252.06641	2.0
253.05090	3.8
254.05858	8.1
255.06633	15.4
267.05270	2.4
268.06149	39.1
269.04395	2.8
269.06915	4.9
270.07733	36.3
270.10669	1.1
271.01306	1.0
278.08072	1.6
280.06155	5.8
287.00726	1.1
294.04709	1.3
294.07767	3.4
296.05612	3.3
307.54361	1.1
320.09274	1.1
322.07233	15.7
322.10873	1.8
346.07187	2.1
362.11539	2.9
376.08231	1.4
384.08902	2.9
390.06168	2.7
415.13092	1.2
418.05823	2.2
419.06323	2.8
487.11328	2.0
494.11850	1.3
495.12994	1.5
501.14386	1.2
522.12091	13.9
523.12714	44.2
524.13068	4.7
527.16028	1.9
529.13470	7.8
553.07916	1.3
589.20966	2.4
591.17950	9.0
605.20691	1.6
633.19946	100.0
634.20221	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	633.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29028	1.0
59.01363	2.7
60.31561	1.1
65.00316	4.2
65.99846	6.0
68.99809	1.6
76.11966	1.2
83.01457	1.4
95.01398	2.3
96.00890	1.2
96.96017	1.2
99.92587	2.3
107.01421	1.5
108.02204	1.1
108.58415	1.0
110.00072	1.4
110.02451	2.5
110.50282	1.0
115.92085	1.3
116.92865	13.4
117.03455	1.7
117.92908	1.5
120.00885	1.9
122.00116	2.1
123.03262	2.0
125.67122	1.1
134.02496	2.6
135.03262	2.5
136.00430	7.9
138.01982	2.1
145.06541	1.1
149.01251	1.7
149.99590	3.2
150.01938	1.5
151.02722	3.4
152.01161	2.9
157.06593	1.7
162.01990	2.1
163.51572	1.3
163.99892	6.4
165.00642	3.1
166.99905	1.3
167.03595	1.4
171.04504	4.2
173.06041	1.4
175.99893	3.0
177.00670	4.5
177.02054	1.8
185.06041	2.1
192.03040	3.6
196.07712	2.9
203.02211	3.3
209.06140	2.4
210.05589	1.2
213.05627	1.6
216.02899	2.1
218.01007	1.9
224.07158	3.2
225.05608	4.7
226.06416	1.7
227.07188	2.1
228.06638	1.2
238.05272	2.1
240.06660	4.7
242.08260	20.3
252.06549	1.7
253.05116	6.3
254.05876	11.6
255.06670	9.3
257.46234	1.2
266.04617	11.9
267.05392	19.2
267.60089	1.2
268.06177	50.4
269.04480	4.4
269.06903	3.0
270.05319	1.8
270.07715	49.5
271.05859	1.6
271.08356	1.5
278.08194	2.4
280.06122	8.5
292.06082	1.7
294.07980	1.3
296.05823	1.5
306.07724	4.4
320.05905	2.2
320.09134	7.8
322.07422	1.5
322.10834	4.5
348.08881	1.5
352.12970	1.2
360.08643	2.0
362.11511	4.8
364.12979	2.2
372.08521	1.6
378.06250	9.9
383.09470	1.7
392.07629	3.8
404.07748	3.3
432.07373	3.1
444.14090	1.5
494.12354	6.3
522.12152	6.3
523.12756	45.3
524.13123	3.4
547.19110	1.8
565.20935	2.5
589.20892	16.1
590.21777	2.2
591.17810	14.7
633.19983	100.0
634.20544	9.2
647.75751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58369	0.7
59.01374	2.0
65.00320	2.9
65.99848	3.1
68.99814	1.3
69.08475	4.8
71.01384	0.9
71.15169	0.7
91.92211	0.7
94.00634	0.7
95.01405	0.9
96.00912	0.8
96.96031	0.9
98.22628	1.6
99.00940	0.7
102.97326	0.7
110.02477	1.6
111.00927	1.0
113.02410	0.9
120.00909	1.4
123.00880	1.9
123.03249	0.9
124.01717	1.5
134.02505	1.8
135.03271	1.6
136.00417	5.7
138.01942	0.8
145.06528	1.0
149.01190	0.7
149.99585	2.2
150.01996	1.5
151.00432	0.9
151.02780	1.4
152.01155	3.2
156.05779	1.1
156.64883	0.8
157.06572	1.1
162.01959	1.3
162.37326	0.7
163.99922	5.7
164.98351	1.0
165.00665	2.5
169.06578	1.4
171.04506	3.7
173.06091	1.1
174.01927	0.7
175.99863	2.1
177.00635	2.9
177.02014	1.6
178.01460	1.2
179.02228	1.4
181.06667	1.1
185.06055	1.9
191.02193	0.9
192.03044	2.0
195.08292	0.8
196.07680	2.9
203.02252	2.7
205.06332	0.7
209.06184	1.2
211.07639	0.7
212.07141	0.8
215.02251	1.0
215.56956	0.7
216.03023	1.6
219.01588	1.2
224.07184	2.4
225.05663	4.3
226.06494	1.0
227.07124	2.0
238.05072	1.9
239.05798	1.3
240.06746	4.5
242.08257	12.6
244.02664	1.3
247.01189	1.2
247.08418	1.0
249.09702	0.9
252.06703	1.3
253.05139	6.0
254.05881	8.6
255.06642	9.2
260.01920	0.9
260.07037	0.8
266.04626	10.2
267.05344	15.9
268.06180	45.6
269.04465	2.0
269.06799	3.0
270.07733	32.8
278.08026	1.1
280.06207	6.0
293.06952	1.1
296.05609	2.4
296.09155	0.8
302.08176	1.1
306.07776	2.1
309.14944	1.1
320.09296	5.0
322.07147	2.7
322.10901	4.0
360.08780	1.3
362.11325	2.0
364.13049	1.5
375.07413	0.9
383.09229	2.9
390.06219	2.0
392.07959	2.5
400.11914	1.0
404.07776	2.7
415.12628	0.9
419.06381	1.1
424.12033	1.1
432.07135	3.1
478.12827	0.9
485.06543	1.3
485.14307	1.7
494.12601	6.9
506.12289	1.1
522.12122	6.0
523.12720	46.2
524.13245	4.1
527.15796	1.1
529.14111	1.2
547.19061	2.1
553.06805	0.9
565.20892	1.9
589.20959	14.4
590.20850	1.4
591.17688	13.3
592.18182	1.9
633.19946	100.0
634.20001	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	633.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	2.7
65.99854	4.0
68.75020	2.4
68.99854	2.1
70.04424	4.6
75.75298	2.4
78.29956	2.2
79.16071	2.1
83.21976	2.2
131.05022	2.7
135.03206	2.3
136.00429	7.3
138.02022	2.4
138.65607	2.1
145.06601	2.5
149.01215	2.2
150.01936	2.3
151.00447	2.7
163.99922	4.0
165.00742	3.3
171.04526	8.0
175.99876	2.9
177.00648	3.1
181.06683	3.0
185.06119	4.8
188.03584	2.4
192.03093	3.2
199.07703	2.6
205.06282	2.9
207.07584	2.6
209.06155	2.9
216.02980	3.0
224.07082	3.8
225.05589	8.5
227.07133	4.4
238.05206	3.6
240.06619	5.3
242.08194	24.3
245.22702	2.2
247.08418	5.0
252.06644	3.5
253.05048	7.2
254.05925	5.4
255.06758	13.0
266.04605	9.9
267.05334	10.5
268.06165	46.4
269.06857	4.5
270.07727	61.9
278.08109	4.6
280.06134	11.4
293.06906	2.7
294.07724	4.5
295.07358	3.2
296.05789	2.4
320.09387	9.7
322.07187	3.0
322.10959	4.2
344.10010	2.4
362.11337	15.4
364.12952	7.4
372.08862	3.2
377.12320	2.4
383.09204	7.6
400.11816	2.3
401.10684	2.2
432.07263	3.1
444.14297	3.0
485.14655	4.4
494.12601	12.3
522.11957	13.5
523.12634	31.3
547.19025	5.5
565.20331	4.9
589.20953	55.5
590.20691	3.0
591.17712	24.7
616.17157	3.0
633.20020	100.0
634.20532	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	633.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.3
62.79151	0.6
71.01385	1.8
71.42034	0.7
73.02928	3.2
85.02969	0.8
89.02441	1.8
89.03968	1.2
96.96018	3.3
99.00890	4.0
101.02428	1.0
113.02407	0.9
117.03482	4.6
119.05037	3.0
132.02173	2.4
134.03757	68.5
135.04390	1.1
137.02437	1.0
149.06128	5.7
160.01677	6.9
160.73975	0.7
171.32094	0.7
175.04007	10.0
178.02740	1.6
181.25563	0.7
193.05072	100.0
194.05406	2.1
247.76945	0.7
271.06360	0.7
283.02615	1.0
298.04868	1.1
397.15021	1.1
411.26062	0.6
453.06537	0.8
457.18024	0.9
554.81165	0.8
583.85901	0.7
633.21741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
66.64683	0.2
67.29173	0.2
69.26093	0.4
69.26497	1.0
69.44404	0.2
71.01387	1.5
72.99300	0.4
73.02960	2.3
83.01416	0.4
85.02956	0.6
87.00907	0.3
89.02448	1.4
89.03991	1.6
93.69138	0.2
95.01411	0.2
98.21909	0.5
99.00896	3.9
101.02443	1.3
104.87005	0.2
106.04269	0.5
108.25033	0.2
111.77509	0.2
113.02466	1.1
117.03491	5.0
119.05035	0.9
122.02461	0.5
125.02473	0.3
127.41654	0.3
131.03477	0.4
132.02202	2.7
133.03050	0.2
134.03755	81.0
135.04147	1.3
137.02440	0.4
149.04617	0.6
149.06088	6.2
150.06430	0.2
155.03537	0.3
160.01677	9.6
161.02112	0.2
161.04456	0.3
175.04019	11.0
176.04320	0.3
178.02679	0.9
191.05635	0.5
193.05072	100.0
194.05405	2.0
203.05551	0.2
248.33038	0.2
283.02353	0.5
298.04721	0.3
353.88751	0.2
397.15057	1.0
439.16467	0.2
457.17050	0.8
511.53253	0.2
615.54272	0.2
633.22076	1.5
657.23071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.4
61.98837	100.0
68.61411	0.8
70.21839	0.7
70.97002	1.1
71.08059	0.7
75.36998	0.8
119.05048	1.7
122.02500	2.7
134.01361	1.0
135.04544	0.9
199.38905	0.9
205.13321	0.9
248.47760	0.7
289.14297	0.8
345.21875	0.9
393.19598	0.9
409.40927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09869	0.5
57.38465	0.5
59.01368	0.5
66.22888	0.4
69.61533	1.6
78.03505	3.8
83.04997	0.4
85.42675	0.4
113.02436	1.6
122.02499	100.0
123.02843	1.7
136.04063	0.7
143.18613	0.4
148.94148	0.4
150.05658	0.5
180.55716	0.5
213.16487	2.0
219.14935	0.4
246.94026	0.5
255.17632	1.9
327.15973	1.1
450.19028	2.0
456.02731	0.4
573.22327	6.0
574.23273	1.0
592.62927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	76.3
61.98834	77.6
62.92958	59.8
78.95896	100.0
116.49494	63.2
117.11909	61.2
118.24537	79.7
127.92944	59.8
147.33061	69.1
477.99078	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	633.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98816	0.4
67.18309	0.3
69.41277	1.4
72.99310	1.9
73.02970	0.4
75.00880	100.0
76.01198	0.4
96.79259	0.3
122.02497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	42.4
60.01724	0.3
61.98838	1.1
69.54588	0.9
71.01421	0.2
77.00124	0.2
78.03129	0.3
78.03487	1.4
82.60818	0.2
82.95426	1.5
86.45696	0.2
88.98809	0.2
98.22796	0.2
99.00991	0.2
101.02435	0.3
108.02172	0.2
109.03006	0.3
116.92831	0.4
117.03498	0.4
119.05026	0.8
122.02496	100.0
123.02847	1.5
135.04552	1.4
136.04028	0.7
145.02962	0.2
178.05157	0.3
202.05122	0.5
222.16057	0.2
255.03076	0.2
263.07510	0.3
279.40985	0.2
294.12634	0.2
327.16043	0.9
333.63245	0.2
394.16388	0.2
396.58536	0.2
450.19083	1.0
469.07144	0.2
573.22357	6.0
574.22272	0.6
615.22571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	44.1
60.01706	0.5
61.98837	3.3
69.15607	2.1
69.86666	0.3
71.01392	0.8
72.82835	0.3
73.02939	0.5
76.82233	0.3
78.03508	0.9
93.03476	0.4
96.96031	0.5
101.02470	0.4
113.02526	0.4
117.03484	0.6
119.05061	1.8
122.02498	100.0
123.02860	1.7
135.04543	2.7
136.04042	1.3
145.02995	0.4
147.76114	0.3
170.81158	0.3
202.05113	0.4
234.75252	0.3
263.07480	0.5
274.10583	0.3
277.05463	1.1
289.70499	0.3
300.55005	0.3
304.19177	0.4
327.16043	1.1
353.56473	0.3
450.19116	1.2
450.56201	0.3
536.87860	0.3
573.22449	5.3
574.22534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.6
61.98830	2.3
71.40624	1.1
77.10860	0.6
96.96045	0.7
99.00864	0.9
99.76086	0.7
101.02465	0.8
113.02470	0.6
116.92892	0.7
117.03445	0.8
119.05031	2.0
122.02502	100.0
123.02822	1.4
126.27143	0.7
135.04555	3.6
173.80829	0.6
185.69308	0.6
240.66542	0.8
311.16629	1.8
318.87714	0.6
322.20053	0.8
371.18768	2.4
405.17374	7.1
450.19617	0.8
462.51035	0.8
573.22473	6.8
633.24976	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	633.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	42.4
60.01724	0.3
61.98838	1.1
69.54588	0.9
71.01421	0.2
77.00124	0.2
78.03129	0.3
78.03487	1.4
82.60818	0.2
82.95426	1.5
86.45696	0.2
88.98809	0.2
98.22796	0.2
99.00991	0.2
101.02435	0.3
108.02172	0.2
109.03006	0.3
116.92831	0.4
117.03498	0.4
119.05026	0.8
122.02496	100.0
123.02847	1.5
135.04552	1.4
136.04028	0.7
145.02962	0.2
178.05157	0.3
202.05122	0.5
222.16057	0.2
255.03076	0.2
263.07510	0.3
279.40985	0.2
294.12634	0.2
327.16043	0.9
333.63245	0.2
394.16388	0.2
396.58536	0.2
450.19083	1.0
469.07144	0.2
573.22357	6.0
574.22272	0.6
615.22571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23204	0.4
55.82430	0.3
57.03461	0.4
59.01386	100.0
60.01733	0.6
61.98829	0.3
66.20683	0.3
66.53830	0.4
70.76117	0.4
71.01395	2.2
73.02962	0.6
75.00899	1.3
85.02974	2.5
87.00883	0.7
88.22815	0.3
89.02480	0.5
96.96040	0.7
99.00922	0.4
101.02474	0.8
101.87846	0.4
107.30252	0.4
113.02438	2.3
135.04593	0.5
141.59084	0.4
142.98206	0.4
167.01717	3.6
167.07228	0.4
192.99678	2.9
195.00848	0.4
211.09802	0.6
227.06808	0.5
261.78162	0.4
377.08929	0.4
405.09711	0.4
411.23907	27.1
412.24500	0.7
589.25116	8.1
590.25928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01908	1.2
65.00314	1.2
65.99852	7.0
71.41062	0.8
87.00876	2.6
88.67456	0.5
105.50887	0.7
108.00958	1.5
110.02496	1.3
116.21862	0.6
116.92857	0.9
127.32932	0.7
134.02519	2.3
134.03677	1.3
135.04523	2.1
136.00455	2.9
140.03546	1.0
142.02965	0.7
142.05115	1.7
146.02505	1.0
150.01985	1.3
158.02438	3.5
160.00381	0.8
162.01999	0.9
162.24564	0.6
163.99948	1.0
165.00691	0.6
169.06616	0.8
171.04539	1.6
174.01994	1.9
175.99911	8.8
178.01474	5.0
186.01958	1.0
189.00647	1.2
190.01588	1.2
191.02094	0.6
202.01512	7.4
203.99382	1.9
204.24385	0.6
206.00957	1.4
215.02324	0.8
218.01025	5.1
218.06564	0.9
219.01740	1.1
230.01031	1.8
234.00526	2.6
236.07147	1.2
239.07259	0.7
240.06708	1.1
241.05176	0.9
243.06659	2.1
246.00496	7.9
247.01295	0.7
251.64891	0.7
252.06647	1.1
255.06642	0.8
261.99966	10.0
264.06674	1.5
268.06305	2.8
269.04578	4.4
270.07858	1.4
273.99994	8.5
278.08234	0.8
280.06171	22.9
281.06561	0.7
282.07706	3.4
292.06073	1.1
306.07736	11.1
308.05722	3.7
310.07245	3.7
322.07181	1.9
334.03693	0.7
334.07294	2.6
350.06750	9.6
363.06143	0.9
366.06210	10.2
378.06210	100.0
379.06592	3.9
410.08777	6.3
414.05231	0.7
415.11664	2.0
422.05331	3.9
602.09357	1.5
634.20056	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	634.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	97.4
61.98837	100.0
69.03715	8.0
69.04115	40.7
87.34585	6.0
94.60624	6.0
122.02496	55.2
126.62870	6.4
138.16992	6.3
143.77097	7.6
159.03651	6.6
265.53815	8.2
339.13220	7.1
427.50626	6.2
589.88654	6.4
658.08600	8.8
660.62128	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	634.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59564	0.6
59.01390	3.8
60.52863	0.7
61.98818	0.8
69.15680	1.9
69.16084	1.7
78.03482	1.2
79.58258	0.6
83.05050	0.8
86.95779	0.6
87.04522	14.6
98.22639	1.2
110.89632	0.6
113.02455	4.1
119.28898	0.5
122.02496	100.0
123.02865	1.4
136.04048	0.7
146.02472	1.0
148.07802	0.7
155.03531	1.8
188.00359	0.5
213.16507	2.0
241.16327	0.5
255.17561	3.4
327.16049	2.2
399.92365	0.6
415.21295	2.2
450.18973	1.4
538.24500	43.4
539.24615	3.2
550.04431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01730	0.7
60.65860	0.3
78.22240	0.4
78.95925	0.9
92.99013	0.4
96.96023	2.2
100.83112	0.4
108.02269	0.4
119.05039	4.5
120.05396	0.5
121.02972	16.9
122.02524	2.7
122.03310	0.6
135.04474	0.4
155.21986	0.4
164.98447	0.4
171.18268	0.4
265.14767	2.9
297.81857	0.5
533.18915	0.5
635.25134	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	634.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08017	1.8
56.78500	1.6
59.01386	100.0
61.98849	2.7
69.70233	1.5
75.05590	1.8
76.02224	1.6
78.95909	3.0
117.66618	1.8
119.05027	9.7
121.02962	17.5
122.02508	3.8
123.86390	2.0
130.08713	1.7
130.76334	1.6
133.90370	1.7
137.31088	1.9
162.83934	4.1
203.61980	1.8
213.34778	1.5
279.23141	2.5
282.41107	1.8
299.77985	1.8
337.44751	1.9
574.24884	2.7
634.18903	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	634.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51726	0.3
59.01387	100.0
59.22316	0.3
59.64542	0.3
60.01731	0.3
61.98833	1.4
69.08006	2.4
74.74928	0.3
101.04565	0.3
111.99582	0.3
118.39344	0.4
121.03004	1.5
122.02499	17.1
143.10817	0.4
143.53745	0.3
144.30850	0.3
155.98653	0.7
249.20468	0.3
474.97144	0.3
575.65265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89944	0.3
59.01386	100.0
60.01725	0.3
60.66217	0.3
61.98830	0.9
75.00908	0.3
78.91875	0.5
97.02985	1.3
119.05062	0.4
121.02981	2.0
122.02498	4.7
135.04561	0.7
146.10080	0.3
166.26016	0.3
177.54622	0.3
212.32347	0.3
288.01581	0.3
437.48193	0.3
526.49695	0.3
554.72144	0.3
569.40375	0.3
634.25580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	39.1
61.58485	8.1
63.05698	7.9
70.54804	14.2
99.04539	15.4
106.99361	9.1
108.55400	8.1
109.36316	8.2
113.70863	8.6
115.04033	100.0
117.05610	73.0
145.28546	8.5
159.05463	9.3
159.06680	38.7
169.24103	11.5
173.50842	10.2
587.29175	9.5
591.26117	39.3
600.33765	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	635.1253
Annotation	Acacetin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
55.01874	1.0
56.92964	0.5
57.03445	2.4
59.01384	12.0
68.99837	0.7
69.03467	1.3
69.46828	0.6
69.48224	2.0
71.01024	1.0
71.01385	14.4
72.00459	0.6
72.99309	11.7
73.02955	4.7
75.00878	22.7
83.01388	1.6
85.02957	23.5
87.00887	4.2
89.02458	3.5
95.01408	4.1
96.35534	0.6
97.02966	1.2
99.00889	22.0
99.40180	0.6
101.02468	2.9
103.00417	3.6
111.00900	1.0
113.02460	24.4
115.00401	1.0
117.01969	2.1
125.66874	0.6
129.01927	1.7
131.03520	2.3
133.01498	0.8
139.00407	1.6
157.01421	2.1
161.02470	3.6
163.00377	1.9
173.04584	0.6
175.02504	3.5
175.03824	0.7
182.27835	0.6
193.03534	10.4
197.49277	0.5
198.03143	0.9
200.27843	0.6
201.05394	0.7
235.04593	1.9
239.03465	0.8
268.03760	12.8
269.04385	1.7
275.04074	0.7
283.06073	3.2
291.03625	1.1
336.08829	1.8
351.05704	100.0
352.05997	3.1
501.72421	0.6
608.74664	0.6
621.70233	0.6
635.13776	1.1
635.23199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53832	0.5
55.42065	0.5
63.82070	0.5
65.00327	0.7
68.40875	0.6
69.81738	1.3
82.02994	2.6
84.20378	0.6
94.02972	1.1
96.00935	0.7
96.04544	0.9
98.02521	1.1
99.38573	0.5
103.50044	0.5
106.02988	2.4
108.00954	1.3
110.02490	3.4
116.92911	1.4
118.02986	1.0
120.00939	1.2
122.02483	1.6
123.03264	4.8
124.04029	1.0
126.02048	1.1
130.02995	2.9
134.02498	5.4
135.03271	5.8
136.00414	2.3
138.01964	2.1
140.03545	0.9
142.58997	0.6
146.02490	2.6
148.04034	1.5
150.01994	8.4
151.02751	4.5
155.02313	0.8
163.99913	0.8
164.03587	1.2
166.01443	2.2
171.04541	4.5
173.06088	1.1
174.01993	7.1
187.02750	1.6
190.01483	1.6
191.99223	0.6
192.03024	5.6
197.06152	0.8
200.03493	1.3
200.07097	1.1
205.03802	0.6
209.06218	0.7
218.00998	0.8
224.07155	1.1
225.05635	0.6
226.08696	3.1
228.06613	2.6
234.09271	1.1
236.07169	4.2
242.08255	43.8
243.08585	1.3
250.08807	2.1
252.06642	2.5
254.05855	1.0
254.08252	1.0
268.06210	2.4
268.09717	3.3
270.07742	100.0
271.08093	3.6
272.16550	0.7
278.08246	31.5
279.08575	1.3
280.06161	1.4
294.07751	6.8
296.05692	16.0
296.09311	21.5
297.06183	0.7
297.09464	0.7
312.08804	26.2
313.09106	1.3
318.69452	0.6
322.07220	26.2
323.07571	1.2
338.06769	0.9
338.10403	9.5
364.08316	9.4
365.08990	1.0
399.64853	0.6
522.25861	0.6
531.15790	0.7
575.14716	4.3
592.24542	0.6
593.15955	3.2
599.14789	1.5
617.15692	15.1
618.16144	1.0
635.16711	12.4
635.26318	1.0
636.16565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16297	1.4
61.31586	1.3
61.98840	2.1
65.00330	4.9
65.99854	2.9
68.99822	4.2
70.96574	2.2
95.01420	1.5
99.00887	2.0
100.72186	1.5
105.03447	2.4
106.02998	4.7
107.01441	1.4
108.04491	2.0
109.02982	2.7
109.21593	1.7
110.02478	3.6
121.02978	3.3
122.02503	1.7
123.03279	4.3
133.02943	3.4
134.02496	12.7
134.95842	1.5
135.03279	4.7
136.00423	3.2
147.00914	2.4
148.04124	3.6
149.02431	9.6
150.02075	1.9
151.00447	2.0
151.02754	5.1
154.04201	1.5
163.99852	2.7
166.01483	2.2
166.05139	2.3
171.04524	6.1
173.06020	1.7
176.03551	6.2
177.01915	3.1
177.69893	1.4
178.01439	2.4
181.05124	2.6
192.03040	8.3
202.99911	1.8
203.16283	1.5
207.08147	3.4
208.06187	1.8
209.04701	2.1
210.04095	4.8
213.05531	1.9
219.08316	1.7
220.02528	3.2
220.07695	5.5
222.05777	1.6
224.07303	1.6
226.08821	2.7
228.06631	1.5
232.07788	2.3
235.02515	2.5
235.07602	2.3
242.08241	41.2
248.07310	3.8
250.04900	1.6
252.05064	4.9
255.06660	3.8
261.05563	2.2
263.08151	2.2
268.06134	3.5
269.04410	2.5
270.07712	100.0
271.08109	2.7
272.10818	3.2
274.08777	2.1
276.06641	3.2
292.53775	2.0
294.05276	3.8
295.05966	3.7
298.08685	3.1
300.10239	5.8
302.08267	4.4
310.08972	1.8
314.08209	4.0
316.09631	2.0
322.08505	10.0
324.06537	1.9
325.07391	1.8
326.08194	7.3
328.06277	2.0
338.08408	2.1
340.05954	2.2
340.09744	2.2
343.10928	2.0
348.06332	1.6
365.09006	27.7
366.08167	2.3
370.07275	4.5
373.87387	1.6
376.08554	2.0
380.13007	7.6
394.07159	2.3
395.06940	2.0
396.05212	2.6
398.14148	8.1
413.07776	3.8
426.09628	3.7
437.12759	4.7
438.05960	2.2
474.13419	10.5
488.14905	3.6
498.13492	4.6
499.12732	3.2
515.16077	8.0
516.14465	18.7
517.14185	14.8
530.16327	10.5
531.15729	5.6
533.14685	8.9
541.13562	2.0
542.12286	11.0
548.17096	12.8
559.15076	22.1
563.14563	2.9
574.15076	29.9
575.14795	13.7
585.13214	3.2
591.17749	78.7
592.18237	7.4
598.82544	2.0
603.14056	6.9
617.15826	9.7
635.16724	17.4
636.16626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65594	2.1
59.01371	6.7
68.88673	2.1
69.15709	13.9
71.01366	2.7
92.73178	2.4
96.96021	9.2
98.02477	2.8
98.95626	2.9
99.92596	3.3
116.92851	2.8
128.03549	2.9
160.01659	3.7
161.18907	2.4
175.20328	2.3
179.07123	3.6
190.06435	3.5
196.02528	4.8
207.85497	2.4
240.07994	4.1
249.05608	4.2
268.07452	10.3
280.07474	5.2
283.09808	8.2
284.06943	3.3
296.06992	3.8
299.09140	3.8
301.97849	2.5
308.06958	7.9
309.07751	7.1
311.09375	3.1
312.06522	10.6
322.08380	4.7
323.09222	15.7
324.06375	3.8
324.09930	7.6
327.08765	31.8
338.11496	3.6
339.08725	42.2
339.12350	6.3
340.09146	2.5
342.11096	37.6
354.10995	12.7
357.13477	100.0
358.13794	5.7
369.13443	97.3
370.13766	3.8
599.01086	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	635.21
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89531	1.1
59.01387	8.5
61.47576	1.3
61.98811	1.6
65.00309	1.8
69.15694	2.9
69.16077	7.7
71.01389	7.9
73.02953	4.5
81.03452	1.5
83.01394	2.3
85.02961	4.4
87.00877	1.5
89.02443	2.3
91.01894	7.8
95.01407	1.4
96.96058	1.5
99.00867	1.8
101.02483	6.6
103.71149	1.2
107.01426	3.8
108.02182	10.5
109.02973	4.1
111.00875	2.6
113.02466	4.9
122.03739	2.2
123.04547	25.3
123.05404	2.3
124.92345	1.1
125.02445	1.9
145.07759	1.9
146.04825	2.7
150.10675	1.2
151.00397	8.2
152.01176	12.3
153.01991	5.9
157.27538	1.4
160.06413	6.0
161.07222	66.0
162.07622	2.4
165.82973	1.2
166.02701	7.6
167.03508	80.5
168.03912	1.8
175.08760	15.2
181.05055	4.9
187.08804	1.7
189.06721	59.9
193.05072	1.7
194.02203	4.4
195.02995	3.1
197.19554	1.5
203.08276	10.2
209.04549	30.7
239.05580	3.3
255.05118	3.7
267.03271	1.4
268.03760	4.6
269.04480	5.0
269.07013	8.3
293.95874	1.4
305.11334	5.4
311.07809	2.7
329.09070	1.5
371.09872	20.6
414.82956	1.5
445.13541	7.5
467.16837	11.9
473.10715	5.8
485.17828	5.5
599.27814	1.5
617.20166	2.3
635.21002	100.0
636.21655	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	635.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.2
65.00349	0.9
69.22437	5.7
69.65761	0.8
71.01371	6.1
73.02972	0.9
83.01429	1.1
85.02955	1.9
87.00859	1.1
89.02441	3.7
97.69572	0.9
98.22707	1.8
99.04519	1.9
101.02447	3.5
113.02453	2.4
119.03537	1.7
119.05037	2.9
121.02959	4.1
122.02486	0.9
134.03714	2.0
135.04536	3.4
143.03500	1.0
147.04567	1.4
149.02449	29.9
150.03227	1.4
161.02467	1.1
161.13359	5.8
161.69559	0.9
162.03250	0.9
163.04057	12.1
164.04805	31.0
165.01978	1.0
165.05621	4.7
173.02444	2.1
175.00368	7.2
175.03964	1.5
177.05605	4.2
178.06357	3.6
179.03627	1.4
179.05670	1.9
179.07129	9.0
181.05135	1.3
187.11234	0.9
188.04808	2.5
189.01884	0.9
190.02734	23.8
191.03508	12.7
192.04228	1.2
193.01428	3.5
193.05075	0.9
195.03050	1.1
203.07213	4.4
204.04240	1.3
205.05077	29.5
205.12340	11.8
206.05846	26.2
206.07675	1.9
207.03040	8.5
207.06628	1.0
208.03790	8.9
209.04472	2.2
221.08217	26.4
222.05341	2.3
223.06122	58.4
224.06396	1.2
229.02200	0.9
235.02556	2.4
237.07704	11.9
247.06078	4.5
249.11331	6.0
250.04884	8.7
265.07181	100.0
266.07480	3.2
277.07153	1.2
295.08231	38.9
304.11841	0.8
311.07739	1.6
325.09293	50.9
326.09665	1.5
385.11472	16.9
385.18680	1.7
386.12122	1.1
591.24426	1.6
635.23633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50939	0.2
53.89603	0.1
59.01377	1.0
61.98834	100.0
67.31693	0.1
69.07658	1.1
88.81985	0.2
98.22617	0.4
122.02554	0.3
395.98566	0.2
596.67865	0.2
653.77759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2518
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
60.44146	0.9
64.07449	1.2
80.30966	1.0
84.46155	1.2
98.15341	0.9
99.24011	1.0
114.22553	1.0
117.81487	1.1
119.05048	1.3
126.30008	1.0
188.38475	1.0
317.11194	1.1
333.64218	1.3
431.15048	2.1
432.15848	1.5
446.17633	1.8
473.20029	2.0
474.16888	6.0
475.17828	17.6
489.19366	5.1
533.18170	15.5
635.25146	100.0
636.25378	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	635.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
62.60175	0.5
63.21109	0.5
69.35622	1.9
69.36025	1.0
70.43420	0.5
78.03510	1.6
80.60777	0.6
98.21944	1.2
122.02499	45.2
123.02850	1.0
190.94405	0.5
392.53360	0.5
449.66379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
62.85890	0.6
67.75174	0.6
69.04852	4.1
69.05250	1.1
90.81026	0.7
98.21871	1.2
98.81229	0.6
108.86681	0.7
119.19277	0.7
122.02496	31.5
130.41400	0.7
207.25693	0.6
257.44556	0.7
359.35175	0.7
533.92828	0.7
612.59985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	49.4
61.98837	9.7
71.43398	1.0
80.81714	0.8
82.95466	0.7
84.96130	0.7
88.98833	0.8
93.03475	0.9
117.03457	1.9
119.05041	3.0
122.02501	100.0
123.02824	1.2
134.03813	0.8
135.04523	2.2
176.34764	0.7
193.05243	0.8
255.02983	0.9
284.03171	1.0
393.40567	0.8
541.20789	1.0
575.24255	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	636.282
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36002	100.0
81.97973	39.0
85.61138	45.8
92.41890	40.4
121.02948	47.7
125.05051	40.4
157.10773	40.3
178.07707	39.0
185.09462	46.5
314.86545	45.0
390.32629	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56411	0.6
57.03440	0.9
59.01384	10.5
61.80355	0.7
69.75553	2.1
69.75911	0.7
70.97496	0.6
71.01391	10.7
72.99295	1.2
73.02940	1.8
77.93816	0.5
78.18232	0.6
78.22691	0.6
79.95743	14.2
80.04296	0.6
80.96549	0.6
81.60713	0.6
83.01368	1.2
83.98808	0.6
85.02968	7.2
87.00873	1.6
89.02463	4.9
90.89495	0.7
95.01361	3.1
96.96021	12.5
98.22646	0.8
99.00919	0.9
101.02452	3.1
107.01432	0.7
107.30518	0.7
110.00076	4.4
111.00898	2.4
111.62394	0.7
113.02464	15.5
124.01678	0.8
125.02482	1.5
131.03525	1.8
134.03743	2.3
135.04475	3.4
137.99599	3.0
139.00403	4.6
151.00403	1.3
153.01961	2.6
161.04543	1.5
164.98312	0.7
165.99081	9.7
166.99770	0.8
175.02443	0.8
179.05647	2.0
181.01382	1.8
211.04053	0.8
221.06621	1.4
227.03375	0.9
241.00209	7.7
255.03096	1.0
285.04062	11.2
299.01926	5.4
300.02786	44.6
301.03024	1.8
314.04379	8.8
315.05127	100.0
316.05524	4.6
351.05679	3.4
395.00851	6.8
461.07214	2.0
475.18161	2.0
477.10287	2.4
557.06110	96.7
558.06384	5.2
637.23553	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	637.1049
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
58.92397	0.2
59.01381	1.4
61.99200	0.3
64.03114	0.2
65.00330	0.6
67.01893	0.4
69.89820	0.6
69.90176	0.5
71.01392	1.0
75.00879	0.4
77.10820	0.3
78.88962	0.3
85.02966	2.1
89.02439	0.4
95.01400	1.4
96.96035	0.4
98.21999	0.4
99.00888	0.8
105.37102	0.3
107.01392	0.8
110.00086	0.5
111.00164	0.5
111.00893	7.4
113.02449	2.4
117.03484	0.6
119.05035	3.7
121.02971	0.3
123.00906	1.5
125.02464	1.3
126.71705	0.2
133.02983	0.5
135.04597	0.5
136.98825	1.0
137.02434	0.8
138.99313	0.5
139.00386	10.0
143.05057	0.7
146.96030	0.3
151.00388	2.5
161.02509	0.6
164.98289	1.1
165.01878	0.7
165.99121	0.4
166.99866	3.2
167.05031	0.4
169.06566	0.6
171.04532	0.6
173.06082	0.7
175.02484	1.0
178.99939	0.6
179.05038	0.3
183.04529	0.4
185.06117	0.9
190.99846	0.4
192.00626	0.6
193.03508	0.4
195.04491	0.8
197.06075	0.4
199.04001	1.0
211.04092	0.4
213.05618	0.6
217.05000	0.7
223.04031	2.6
225.01921	1.0
239.03505	1.1
241.05074	0.5
242.02113	0.5
257.04514	0.4
267.02954	0.8
283.02502	0.5
284.03162	0.4
285.04068	100.0
286.04468	2.3
443.06329	0.6
461.07294	17.2
462.07993	0.5
637.10852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1052
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
55.01900	0.8
57.03457	2.3
59.01386	18.1
59.01664	1.2
59.83598	0.5
65.00332	1.3
67.01897	0.6
68.99838	1.3
69.03468	0.9
69.16354	1.2
69.16752	2.6
71.01391	18.4
72.99318	12.3
72.99712	1.0
73.02950	4.6
75.00880	18.9
83.01407	1.6
85.02961	23.6
87.00889	4.3
89.02450	4.0
91.65278	0.6
93.03468	1.0
95.01399	4.7
97.02980	1.6
99.00893	17.0
101.02472	4.0
103.00393	3.7
111.00890	1.2
111.94799	0.6
113.02457	25.7
115.00430	2.6
117.01984	1.8
117.03516	1.7
119.05057	1.2
129.01978	2.4
131.03546	3.4
131.07170	1.8
133.02982	0.8
135.04649	0.7
136.98827	1.1
137.02472	1.0
139.00391	2.1
143.05035	1.3
145.03012	1.8
149.02470	2.2
150.03203	0.7
157.01468	2.1
161.02475	1.4
163.00423	1.1
164.04805	1.3
165.01941	1.0
166.99867	0.8
171.04520	1.7
173.04593	0.8
175.02519	4.0
185.06108	2.5
185.08162	0.9
187.04053	3.6
193.03574	12.7
197.06099	0.7
205.05081	1.1
206.92168	0.8
211.03992	1.3
213.05594	5.8
215.03532	1.0
223.04137	1.1
223.06078	5.0
229.05110	1.5
231.42119	0.7
235.04709	1.3
239.03537	1.3
241.05070	3.7
255.03035	1.4
257.04556	1.3
275.11343	1.1
277.01572	0.6
283.02490	2.9
284.03342	6.3
285.04080	65.1
286.04401	1.9
333.04474	0.8
351.05713	100.0
352.06033	1.7
386.46719	0.8
399.07092	0.8
448.33517	0.7
461.07281	10.6
477.53201	0.8
502.57602	0.8
575.10187	1.0
593.25513	0.7
610.96649	0.7
619.09375	0.8
637.10522	34.4
638.10938	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	637.1053
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03453	1.7
59.01389	8.3
65.00336	1.1
67.01907	0.7
67.57687	0.6
68.99823	1.0
69.03446	0.6
71.01389	10.3
72.99317	7.1
73.02963	2.9
75.00882	11.8
79.95742	1.5
83.01395	1.3
85.02955	14.5
86.26086	0.6
87.00893	3.0
89.02454	2.6
89.07505	0.5
89.08052	0.5
92.35658	0.6
93.03471	0.8
95.01402	3.9
96.96033	3.8
99.00887	11.3
101.02451	2.5
103.00378	2.3
110.00114	3.3
111.00892	7.9
113.02459	19.9
115.00368	1.8
115.91473	0.6
117.01940	1.1
119.05058	4.3
123.00916	1.1
125.02459	1.2
125.36940	0.6
129.01939	2.0
131.03537	1.4
133.01433	0.7
136.98827	1.9
137.02470	1.2
137.99577	0.7
139.00403	9.4
151.00365	3.0
157.01465	1.4
161.02446	1.5
163.00368	0.8
164.98270	1.3
165.01918	0.9
165.99095	2.1
166.99878	2.6
167.03552	0.8
175.02539	3.5
175.03870	0.9
185.02477	0.6
192.00720	0.7
193.03539	8.8
195.04649	0.7
197.06160	0.6
217.05019	0.9
223.04024	2.0
225.01897	0.8
235.04674	1.1
239.03526	1.3
243.06528	1.5
254.98193	3.4
255.03079	0.6
269.04800	0.8
270.05429	0.9
271.06134	6.8
283.02481	2.1
284.03284	2.4
285.04074	51.6
286.04431	1.7
299.01990	1.4
351.05707	100.0
352.06055	2.0
359.14984	1.2
393.02811	1.0
461.07349	2.8
475.12485	5.0
606.11200	0.6
637.10242	13.0
637.17847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34835	0.5
51.33919	0.6
52.49258	0.6
59.01381	4.3
60.74283	0.6
63.02403	2.1
64.10831	0.6
65.00332	3.2
71.01389	1.8
72.99310	0.9
73.02972	0.7
83.01411	1.0
93.03462	1.7
96.96026	1.3
98.02520	1.0
99.00874	0.7
101.02410	0.8
107.01377	3.5
113.02460	0.9
117.03484	8.3
119.05040	0.7
121.02972	3.2
128.03464	0.8
130.75465	0.7
132.02095	0.7
133.02965	1.5
135.04567	1.3
147.00835	0.9
149.02461	8.2
150.03212	3.5
151.00398	4.5
153.01924	1.0
153.05655	1.2
159.04514	1.5
161.02536	2.1
163.04056	0.9
163.91084	0.6
164.04852	3.2
165.01811	0.8
165.05524	0.7
167.03484	0.9
169.06552	1.2
171.07750	1.3
175.00337	3.5
176.01181	3.6
183.04549	3.0
190.02727	9.6
191.03563	5.9
193.01518	0.7
194.02220	1.3
196.05359	2.3
197.04541	3.4
197.06123	1.6
199.04033	0.8
201.05573	1.6
205.05054	7.5
209.04521	3.3
223.06110	2.5
224.04768	0.8
225.05528	5.0
227.03481	1.0
240.04297	1.6
268.03839	5.0
269.04559	100.0
270.04886	2.7
276.24405	0.6
283.06168	13.0
284.03094	1.1
285.04074	1.7
299.05630	1.0
311.05896	1.1
327.25549	0.7
329.23346	1.1
353.08765	6.9
367.10306	1.9
389.25510	1.4
431.09888	5.1
452.83646	0.6
492.23361	0.7
637.15649	62.6
638.15948	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	637.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11044	0.4
59.01384	3.4
61.98840	0.5
63.02396	0.7
63.09888	0.4
65.00334	1.6
71.01388	1.0
73.02944	0.9
85.02973	1.1
91.01902	10.0
95.01381	0.5
101.02440	1.0
105.34189	0.4
107.01417	0.6
108.02187	6.6
109.02977	0.5
111.00906	1.4
113.02422	0.6
117.03445	0.7
119.05014	0.6
123.04540	30.0
124.01636	0.9
124.04861	0.7
149.02507	0.8
151.00397	0.4
152.01190	3.7
153.02055	0.5
153.29257	0.4
167.03513	100.0
168.03844	2.3
175.00389	0.7
176.01062	0.4
179.59572	0.4
190.02710	1.3
199.77927	0.5
205.05038	0.8
251.76332	0.4
268.03809	1.2
269.04584	15.8
270.05020	0.7
283.03162	0.4
283.06158	2.0
291.87140	0.5
293.04593	1.1
296.26611	0.4
353.08710	2.2
593.18988	0.8
637.15558	3.0
638.16052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
63.02389	0.3
65.00323	2.1
69.13097	1.7
70.59301	0.3
71.01378	1.2
72.99319	0.5
73.02954	0.9
83.01363	0.5
85.02949	1.0
86.64885	0.2
89.02435	0.3
91.01902	11.0
95.01398	0.5
96.96037	0.5
101.02448	0.8
108.02174	7.6
109.02966	0.4
111.00893	1.0
113.02454	1.1
123.00922	0.5
123.04536	30.8
124.01631	0.7
124.04898	0.8
124.45715	0.3
139.00363	0.4
152.01181	4.3
153.54649	0.3
161.04594	0.5
167.03508	100.0
168.03857	2.5
190.68858	0.3
197.89340	0.3
207.76524	0.3
225.39816	0.3
269.10464	0.4
383.13797	0.5
399.62711	0.3
419.44061	0.4
494.10275	0.3
593.18823	1.5
593.27136	0.4
637.44464	0.3
643.79333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49274	0.3
57.03446	0.9
59.01385	4.1
69.44598	0.3
71.01393	4.0
71.41930	0.3
72.99336	0.3
73.02966	0.7
83.01373	0.3
85.02966	2.9
87.00850	0.4
89.00672	1.5
89.02451	1.6
89.25978	0.3
93.03468	40.4
94.03806	0.8
95.01404	0.9
99.00883	1.7
101.02460	0.9
108.04607	0.5
113.02461	5.9
115.02213	0.6
119.03477	0.3
119.05058	1.3
123.04543	1.7
127.64826	0.3
132.02182	4.4
133.02931	1.0
134.03770	4.7
135.04543	6.6
135.08162	1.5
136.04855	0.9
137.02458	100.0
138.02794	2.1
149.02498	0.4
149.06117	0.5
153.05598	2.2
160.01677	17.9
161.02480	4.3
162.02776	0.6
175.04025	17.8
176.04420	0.4
178.02747	0.4
179.03516	1.3
180.03812	0.6
193.05077	3.3
223.06078	0.5
285.04053	0.5
315.10870	0.8
413.14694	0.5
443.15619	0.5
450.75824	0.3
455.15747	1.6
461.16660	6.6
473.16605	0.8
493.17355	0.4
533.23547	0.5
576.95331	0.3
593.18311	7.0
594.19238	0.6
637.21509	13.9
638.21594	0.9
652.32190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1833
Annotation	Glycobismine-D
Peak:m/z	Relative Intensity
62.12006	1.5
63.19257	1.3
65.00339	2.3
65.99843	6.0
69.95728	4.8
79.19766	1.3
98.02485	1.6
109.01645	1.8
118.03006	1.6
120.00870	1.7
132.04536	2.1
134.02440	2.1
136.00380	4.3
138.02080	1.4
146.02448	2.2
148.05453	1.3
149.99586	1.9
150.01996	1.7
162.01961	2.5
163.99876	4.7
165.00717	3.4
171.04517	2.4
174.01974	3.0
175.99873	2.3
176.03525	2.5
177.01947	2.3
186.01965	1.7
190.01654	2.0
194.06183	1.4
198.05652	1.8
202.01462	4.0
204.03088	1.7
210.95445	1.6
216.02982	1.8
216.15500	1.6
218.00946	2.1
225.05634	2.7
230.00806	1.8
238.05136	2.0
240.06680	2.7
242.08246	9.7
252.06593	2.0
253.05179	1.8
254.05774	2.9
255.06647	4.9
264.02957	2.0
268.06116	15.3
270.07727	19.3
278.08325	1.8
280.06082	6.4
294.07727	3.2
296.05725	6.9
300.90033	1.4
306.07840	2.1
322.07217	17.3
323.07648	1.8
334.07330	2.2
342.11212	1.7
346.07050	2.5
386.10306	2.5
390.06107	2.0
405.11191	1.9
412.07928	1.9
418.05902	2.3
429.10742	2.9
433.11035	1.9
456.07382	2.8
473.09976	5.6
501.09348	16.5
522.12115	4.1
523.12994	6.9
533.11700	7.7
577.16730	2.4
605.15649	31.7
606.15955	2.7
637.18353	100.0
638.18677	15.2
650.34998	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	637.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41034	0.8
63.66224	0.9
65.00321	2.5
65.99844	3.9
70.27908	1.4
70.28265	1.9
76.25312	0.9
82.02999	1.4
83.92821	0.8
92.99805	1.9
94.03030	1.1
95.01376	1.3
98.02490	2.4
102.08420	0.8
107.01396	1.2
109.02946	0.9
110.02510	1.8
115.99403	0.9
118.02997	1.1
119.61882	0.8
120.00896	2.0
120.99343	1.6
121.02951	2.0
123.00886	1.0
132.00899	1.2
132.04555	1.2
133.03079	0.9
134.02481	2.6
135.03273	2.0
136.00439	4.6
137.03564	1.4
137.19350	0.9
144.04483	0.9
146.02435	1.4
148.04054	1.0
149.99666	1.7
151.00385	1.2
158.02531	1.2
162.01974	4.9
162.10309	0.8
163.99892	3.9
165.00708	2.5
171.04527	3.9
174.01958	2.1
175.99860	3.3
176.03537	1.9
177.01956	3.2
189.00716	1.0
190.01476	2.1
198.05656	1.3
200.03540	1.5
202.01454	4.1
203.02148	1.1
204.03043	1.2
209.06335	1.0
211.07751	1.2
218.00945	3.4
224.03572	1.4
225.05527	2.2
226.08676	1.2
230.01065	1.6
232.02661	1.3
236.03500	1.1
238.05087	2.6
240.03004	1.5
240.06747	1.9
242.00934	1.4
242.08252	10.0
253.00398	1.1
253.05017	3.3
254.05754	1.6
255.06686	6.6
264.46127	0.9
268.06161	14.1
269.06955	2.0
270.07724	20.0
278.08203	1.3
280.02704	1.1
280.06137	6.3
281.08368	1.1
290.08279	1.9
292.02612	2.0
293.06799	1.1
294.07809	4.4
296.05713	6.4
297.08765	1.2
308.02219	1.4
322.07196	15.5
324.08743	0.9
334.07135	2.2
336.08475	1.7
342.11377	1.1
346.07193	2.4
351.09933	2.2
386.10394	3.9
387.10300	1.1
390.06119	2.1
396.09161	1.2
405.10938	3.2
412.08304	1.5
414.10040	1.3
415.09695	1.0
418.05698	1.6
429.10791	2.4
440.08124	1.1
456.07355	2.5
457.10571	2.0
473.10043	6.1
474.10010	1.1
501.09418	12.1
519.10693	1.4
522.11664	4.9
523.12469	5.7
524.13452	1.0
533.12042	6.5
561.16742	1.8
577.15289	1.1
605.15814	26.5
637.18317	100.0
638.18951	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	637.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75182	0.9
57.02468	0.7
61.98833	10.1
64.01893	0.7
65.00318	3.8
65.99847	2.7
68.99827	1.9
69.04658	2.1
69.05066	4.9
69.09063	0.7
69.27498	0.7
77.23129	0.7
82.02939	1.0
83.01379	1.2
92.05061	2.0
93.03477	1.4
94.02980	1.7
95.01393	1.6
96.00925	2.9
98.02494	2.3
105.03402	0.8
107.05001	0.8
109.01746	1.7
109.02949	4.5
110.02473	4.2
110.29814	0.8
117.03470	2.1
120.00910	1.6
121.01728	1.6
121.02937	1.5
122.02456	1.4
123.03293	4.1
123.04533	1.7
126.01942	0.8
133.02946	1.6
134.02484	7.5
135.03271	4.7
135.04533	3.1
136.00432	5.9
136.04060	6.1
137.02446	11.9
138.01970	2.0
146.02420	1.0
149.02458	2.3
149.99706	0.8
151.00359	1.5
151.02774	3.8
151.04022	8.9
152.03467	1.9
161.01219	0.9
161.02437	3.3
162.01964	3.7
163.00397	1.0
163.99867	3.7
164.01175	2.8
165.00700	5.8
166.01355	1.4
171.04520	5.9
175.00328	0.8
176.03491	2.9
177.01941	11.0
178.05069	1.4
179.03545	10.4
180.03026	12.7
181.03836	4.9
192.03059	4.0
194.04596	2.5
199.07608	0.9
200.03569	0.9
200.07251	1.6
202.01508	1.2
202.99905	2.2
204.03081	2.4
205.01476	5.2
210.05556	1.0
212.05473	1.0
213.05559	1.4
220.02525	3.4
222.04144	5.0
224.07147	1.6
226.05141	1.1
226.08771	3.0
227.07254	1.0
228.06694	1.3
235.07732	1.3
236.05620	1.5
240.06625	1.4
241.05026	1.1
242.08247	40.4
243.08661	1.7
247.07674	1.6
250.08730	1.1
252.06956	1.1
253.04918	1.7
254.06699	6.2
255.06609	7.3
262.08743	1.3
263.07098	2.7
264.07608	1.0
268.06082	9.0
269.06866	3.6
270.07727	100.0
271.08133	4.5
274.08624	1.2
275.07458	1.0
278.04486	0.9
278.08383	1.3
280.06152	1.7
290.08264	3.4
291.06570	5.9
294.07877	1.1
296.05704	1.8
298.08670	1.2
300.06509	1.2
302.08249	1.3
306.07513	1.0
307.09842	1.0
310.08856	1.8
318.07788	1.0
323.09290	7.2
329.09247	1.5
335.07986	1.2
340.09940	1.1
342.07645	1.0
344.09201	1.1
347.10300	3.2
366.09903	13.5
367.10269	1.6
371.10367	1.5
380.12814	3.0
389.11224	0.9
398.13959	2.2
499.10815	1.2
516.14526	1.3
531.13599	1.2
542.12457	5.3
543.15723	1.4
544.14191	1.2
546.12933	1.0
549.16913	2.1
559.15204	21.5
560.15527	3.0
561.16534	5.3
564.15613	1.1
569.13373	1.6
587.14630	31.7
588.15009	1.8
605.15753	13.3
606.16187	1.2
619.17297	1.5
637.18323	63.9
638.18201	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	637.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00335	0.8
51.02984	0.5
54.62689	0.5
58.81602	0.5
61.98816	0.8
64.01922	0.7
65.00330	3.6
65.99837	1.7
67.01878	0.5
68.99801	1.1
69.10400	3.4
81.03448	3.3
83.01379	0.7
90.03493	1.3
92.05067	30.5
93.03459	12.8
93.05433	0.7
94.02991	1.3
95.01401	2.3
96.00932	0.7
96.04547	2.9
98.02509	0.8
98.21889	1.0
108.04572	2.9
109.02962	6.0
110.02487	1.3
117.03467	1.0
118.03056	0.6
119.01394	0.9
120.00921	0.9
123.04490	0.5
125.06065	0.9
133.02933	0.6
134.02480	1.1
135.03520	0.7
135.04492	2.8
136.04054	79.2
137.02460	26.8
137.04286	1.3
138.01936	3.2
140.03571	4.9
145.06592	0.6
148.04047	1.0
151.02794	0.6
151.04007	1.1
152.03552	4.9
156.08160	0.8
160.04028	0.7
161.02455	0.7
162.02003	1.7
163.99911	1.2
165.00694	2.1
169.05174	0.8
169.06554	0.9
171.04555	2.4
176.03513	1.1
178.05122	1.7
179.03529	1.8
180.03038	100.0
181.03380	2.4
184.07712	1.7
190.01508	0.7
192.08194	1.2
208.07722	1.8
220.07671	4.0
222.03763	0.5
222.09265	0.8
224.07169	1.5
226.08720	2.3
232.07640	2.5
242.08266	6.0
243.08511	0.6
248.07152	4.6
249.09296	0.7
250.08867	1.0
252.06734	2.4
255.06448	0.8
262.08713	1.3
267.05673	0.5
268.06274	3.2
269.06989	1.3
270.05023	1.0
270.07718	13.2
271.08160	1.0
276.06714	4.5
278.04559	1.3
280.06296	1.5
289.07486	0.8
290.08289	7.6
291.09030	1.1
292.06177	0.5
294.07635	1.6
296.05585	5.2
300.10223	0.6
304.09555	0.7
319.57980	0.6
334.07214	8.2
335.07486	0.6
338.11981	3.5
352.13315	1.8
354.07898	0.6
380.08026	1.1
380.12955	23.3
381.13284	2.0
382.10791	1.7
382.14911	0.9
398.14075	8.2
424.11929	9.8
424.22327	0.5
464.11417	1.3
466.12912	8.4
476.15131	1.0
478.12787	2.5
482.12589	2.9
500.14966	1.6
518.16119	5.3
520.13538	1.0
524.37390	0.6
544.14117	0.9
561.16663	3.7
562.15369	2.2
576.16522	0.7
588.13416	0.7
593.18982	2.0
605.15710	74.8
606.15955	8.5
637.17706	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.9
64.01943	2.2
65.00328	8.5
65.99838	12.3
68.99805	6.3
77.00282	3.0
82.02990	3.4
83.17653	2.0
86.02444	2.2
95.01389	3.4
98.02531	3.3
107.01327	2.1
109.02988	3.0
110.02460	4.8
111.29261	2.0
115.05602	3.1
119.05006	2.8
120.00855	3.2
123.00826	3.1
123.03281	2.7
131.94737	2.4
133.01674	2.6
134.02478	5.4
135.03276	2.1
136.00388	7.7
137.03537	5.6
145.06621	4.1
149.02435	2.7
157.06607	8.9
158.02512	2.6
161.02428	2.6
163.00345	2.6
163.99886	6.0
165.00700	3.6
166.01498	2.9
171.04538	10.3
173.06088	5.5
175.99930	7.1
176.03453	5.0
177.01942	8.4
178.05116	10.1
179.04681	3.2
181.06616	3.1
184.03958	2.9
184.05475	3.6
185.06056	11.6
189.00581	3.0
194.05975	3.3
197.06129	2.7
200.03638	3.3
202.01451	15.4
203.02284	3.5
204.03145	4.2
208.05284	2.7
209.06119	5.2
210.05699	3.2
211.07562	2.5
212.03693	3.0
213.05658	3.1
214.05179	3.6
215.04568	2.4
219.04118	9.7
221.05746	7.4
224.03401	2.9
225.05551	13.5
226.05107	2.9
226.08690	4.3
227.07143	4.5
228.03122	4.1
228.06757	2.9
238.05148	4.6
240.03098	2.4
240.06712	3.9
241.05089	2.7
242.08255	29.1
244.02406	4.7
252.06650	2.9
253.05048	8.8
255.06598	11.1
266.04544	3.5
266.08008	2.5
268.06146	17.5
269.04489	6.7
269.07047	3.2
270.07709	83.3
278.08231	5.8
280.03348	3.5
280.06073	19.1
282.03775	2.7
290.08270	21.6
292.06662	3.1
292.09799	10.0
294.07703	4.5
296.05621	6.7
302.08319	2.8
306.07797	14.0
308.01944	3.0
308.09177	3.2
312.03860	3.9
324.08780	4.8
326.08105	2.9
328.09711	3.6
334.07230	29.6
335.07782	21.0
336.08884	11.0
344.09399	12.0
349.08090	4.3
351.09943	13.2
353.11319	3.0
368.09262	3.5
372.08786	3.5
377.07489	2.8
383.09116	11.9
386.10223	7.8
387.10141	3.0
399.07361	2.7
412.08633	3.4
413.11548	4.3
414.09485	3.9
415.09229	6.2
416.10046	7.2
429.10709	3.2
456.07495	3.2
457.10562	12.0
516.14117	3.0
517.17682	3.1
518.15515	3.0
519.15717	8.7
533.17230	7.1
537.16809	16.6
543.15881	4.9
544.13562	5.6
561.16663	100.0
562.16876	8.8
587.14679	23.9
588.14233	5.4
605.15710	96.2
606.15845	11.5
637.18781	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	637.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32648	2.3
59.01384	6.0
61.68829	2.5
61.98838	3.0
63.19926	2.1
65.00328	7.4
65.99854	13.6
68.99832	3.4
70.90888	2.9
74.31284	2.4
77.09174	2.3
95.01421	4.0
96.00912	3.8
98.02494	3.7
109.02992	2.5
110.02479	7.3
120.00881	2.9
123.00918	4.9
134.02502	4.3
135.03325	5.3
136.00435	7.0
136.04044	2.8
137.03589	5.2
146.02516	3.6
151.02763	2.9
156.81659	2.3
157.06604	5.2
160.04065	2.4
162.02020	4.9
163.99916	6.7
164.98267	2.6
165.00728	3.6
169.06625	3.7
171.04559	11.4
175.02722	2.6
175.99884	7.6
176.03595	7.9
177.01993	5.9
178.05077	6.5
184.05238	3.1
185.06120	6.6
186.02019	5.5
188.03471	2.9
193.06290	2.7
197.06146	4.7
198.05591	3.0
200.03477	3.2
202.01491	14.8
203.02103	4.1
204.03036	3.5
209.06073	3.6
216.03142	4.4
219.04068	5.9
221.05730	6.9
224.07068	4.0
225.05649	16.0
227.07092	4.2
228.02968	4.2
230.01109	2.9
238.05016	5.4
240.03062	3.1
240.06686	3.3
242.08241	28.4
252.06619	4.7
253.05103	6.8
255.06599	9.4
266.04471	4.1
268.03491	3.2
268.06122	21.2
269.04501	10.8
270.07718	80.3
271.05768	3.4
271.08292	4.1
278.08401	3.6
279.03055	2.6
280.06073	19.6
282.03998	3.9
290.08313	22.0
292.06232	2.6
292.09775	9.4
293.06921	3.5
294.07831	5.7
296.05661	6.6
296.09213	4.7
298.05948	3.1
306.07681	11.2
318.07556	2.8
334.07239	46.1
335.07916	25.5
336.08749	9.0
344.09207	11.7
349.08292	5.3
351.09970	14.2
360.08701	4.5
370.11050	4.8
377.49884	2.6
383.09189	8.7
386.10403	4.7
387.09955	5.9
399.07700	3.3
414.09445	7.1
415.09366	4.6
416.10181	8.7
433.10730	2.8
457.10330	11.8
518.15509	2.9
519.15613	5.3
533.16785	4.7
537.16547	10.7
543.15576	3.6
561.16730	100.0
561.25568	5.4
562.17126	7.0
587.14520	33.6
588.13568	2.8
593.16107	4.1
605.15723	82.7
606.15997	8.2
637.18451	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	637.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22594	0.3
59.01363	0.4
61.98826	0.3
65.03962	0.5
69.86551	0.3
78.91897	1.5
79.20142	0.3
79.84389	0.3
93.03468	44.4
93.22792	0.2
94.03792	0.7
98.22756	0.5
125.87293	0.3
137.02458	100.0
138.02776	1.8
145.17827	0.3
160.10210	0.3
222.00348	0.3
453.54999	0.3
601.22882	9.9
602.22980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01387	18.7
61.18676	1.5
61.46478	1.7
61.98808	4.3
69.63250	6.3
71.01381	12.8
72.97527	1.5
72.99297	1.9
73.98311	3.7
84.95099	1.7
85.02964	11.2
86.02452	2.6
89.00682	24.3
89.02446	6.7
95.01378	3.6
96.00926	2.2
96.95971	2.5
98.02448	1.6
98.21861	3.4
101.02442	4.4
108.04549	3.4
111.00896	1.9
113.02456	19.0
115.02266	8.0
117.03492	1.9
119.05011	6.4
122.02535	2.6
123.04485	2.1
132.02203	10.4
133.02960	26.5
134.03777	11.1
135.04536	15.8
135.08176	20.6
136.36745	1.8
149.06090	2.4
160.01689	28.1
161.02463	80.2
162.02827	1.8
175.04005	37.4
178.02675	1.6
179.03444	3.5
193.05109	9.4
219.11395	2.2
232.85576	1.7
276.16443	1.6
285.04059	2.5
288.31110	1.6
346.23199	1.9
351.05569	2.7
425.20697	3.0
443.21869	2.8
461.16754	15.5
515.22308	8.3
533.23273	13.9
577.22241	7.1
593.25500	14.6
620.23999	4.4
637.21466	100.0
638.21777	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	637.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09434	0.7
55.79408	0.7
57.03458	1.2
59.01385	9.2
69.62145	2.1
71.01396	6.3
72.99309	1.3
75.00887	1.9
85.02962	6.7
89.00690	2.8
89.02463	4.1
95.01413	2.1
95.30015	0.7
98.49454	0.7
99.00926	1.4
101.02465	2.5
105.03484	0.9
105.85367	0.7
113.02460	10.8
115.02235	1.2
117.03513	1.6
119.05030	1.6
121.14291	0.7
123.04485	1.8
132.02199	3.4
133.02966	28.3
134.03812	4.4
135.04552	6.5
135.08170	3.3
145.22774	0.8
149.02437	4.7
153.05582	1.3
160.01668	8.7
161.02463	100.0
162.02792	2.7
164.04842	3.7
175.04012	10.3
179.03432	1.1
179.07103	0.8
193.03477	0.7
193.05116	1.8
205.05063	1.1
208.03775	2.2
223.06120	12.7
237.98755	0.8
275.31540	0.8
285.04099	5.8
298.50397	0.8
351.05661	9.0
404.06342	0.8
461.07361	1.1
461.16425	4.3
475.18048	2.3
515.21765	1.2
533.23175	1.9
593.25372	2.5
637.11255	1.8
637.21362	44.6
638.21710	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	637.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65431	0.7
56.53886	0.8
57.03450	1.8
59.01384	12.6
61.00071	0.7
61.48091	0.7
69.71235	2.4
71.01384	11.2
73.02964	0.8
85.02956	14.1
89.02467	4.3
93.03465	10.6
95.01397	4.2
98.22640	1.4
101.02461	3.2
113.02455	27.1
117.03458	1.7
123.04539	8.2
132.02177	23.5
133.02985	2.9
134.03757	20.9
135.04539	21.2
137.02461	26.2
137.03517	1.5
143.03459	0.9
149.06131	2.3
153.05579	11.2
160.01671	89.9
161.02473	13.0
161.04527	1.1
175.04015	100.0
176.04434	1.7
178.02724	1.5
180.42747	0.6
193.05064	16.4
218.13680	0.7
232.54643	0.7
265.07074	1.1
293.63922	0.7
315.10831	2.7
332.72580	0.7
443.15482	3.1
461.16693	46.0
462.17117	1.9
484.66092	0.8
491.15366	0.9
593.18549	2.2
637.21381	72.4
638.21472	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	637.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
59.01380	2.7
61.98837	0.7
63.02407	0.4
65.00338	0.3
67.01878	0.2
68.99816	0.3
69.05580	1.0
69.05985	0.4
71.01382	1.5
72.99319	0.3
73.02950	1.5
78.01109	1.2
81.25549	0.2
83.01408	0.7
84.99384	0.2
85.02960	0.5
85.85676	0.2
87.00892	0.2
89.00345	2.7
89.02466	0.7
90.56081	0.2
91.01902	1.2
91.14319	0.2
92.36534	0.2
93.03465	0.3
95.01395	0.3
99.00896	2.7
101.02440	0.8
106.00620	3.6
107.01463	0.2
109.02853	0.2
111.00904	0.8
112.98833	0.2
113.02478	0.8
117.03510	0.3
119.05025	0.4
121.02966	39.7
122.02502	0.3
122.03327	0.4
123.00864	2.2
127.00418	0.6
136.98810	0.5
137.02481	0.4
138.03224	3.3
139.00395	0.9
139.03999	0.3
141.01950	0.3
153.05589	29.3
154.02742	0.6
154.05939	0.6
154.99820	0.2
166.99872	0.6
167.03455	0.3
182.02246	2.2
191.05600	0.2
197.04564	100.0
198.04909	1.8
233.08203	0.2
269.04535	0.4
393.13647	0.2
397.15079	0.4
457.00595	0.2
457.17084	0.2
466.20029	0.2
487.52539	0.2
509.23383	0.2
550.81073	0.3
637.21521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38504	0.6
52.81483	0.7
53.81250	0.6
55.01870	1.3
57.03434	3.0
59.01382	42.8
60.26086	0.7
69.03421	0.8
69.79778	2.0
70.47688	0.6
71.01385	40.7
72.99301	1.2
73.02944	4.8
79.95741	2.0
83.01378	2.7
84.02213	0.7
85.02956	31.5
85.03475	1.5
86.00072	1.2
87.00892	6.5
89.02448	21.1
95.01388	11.6
96.96014	3.0
97.02927	0.9
101.02460	13.7
111.00845	0.7
112.48790	0.7
113.02458	65.1
119.03519	4.6
127.04009	1.3
131.03510	5.5
132.77222	0.7
134.03741	5.1
135.04575	0.9
143.03503	3.2
149.06070	2.6
151.00517	0.8
152.04697	1.0
161.04579	10.5
167.03548	0.9
167.07091	1.2
179.05644	6.8
221.06697	5.1
285.04120	2.0
299.02325	0.8
300.02704	4.1
314.04230	0.9
315.05151	7.5
329.12192	1.4
395.00830	1.0
397.62494	0.8
405.81912	0.8
461.07611	0.9
475.18243	12.4
557.06061	7.5
558.06726	1.0
621.02252	0.8
637.23517	100.0
638.23889	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	637.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11540	0.4
55.01878	0.7
55.27808	0.4
57.03438	2.5
59.01383	26.9
65.00335	0.7
69.68762	1.3
71.01389	27.1
72.99293	0.8
73.02957	1.6
77.94205	0.4
83.01388	1.7
85.02955	22.3
87.00889	1.1
89.02457	14.7
89.03008	0.4
95.01395	10.1
96.95992	0.5
99.00929	0.5
101.02451	6.9
107.01372	0.5
111.00877	0.5
113.02460	51.1
114.02808	0.8
119.03526	4.1
119.04989	0.5
123.04546	0.5
124.18353	0.4
125.02440	0.6
131.03471	0.8
134.03746	4.4
137.06079	0.6
139.00385	0.5
143.03499	1.8
149.06061	3.1
151.00395	1.4
152.04863	0.9
156.00842	0.4
161.04568	5.7
164.98329	0.5
167.03514	1.4
167.07159	1.0
175.02481	1.1
209.04568	0.4
217.05008	0.5
285.04065	18.0
286.04367	0.9
297.50961	0.5
311.11316	0.9
327.05206	0.6
329.12433	3.2
339.96774	0.4
461.07254	6.7
475.18237	100.0
476.18723	3.9
491.14578	0.7
522.05170	0.5
611.84711	0.5
637.22101	0.5
645.51978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81727	0.4
58.02671	0.3
59.01387	2.8
61.98838	100.0
71.68666	0.4
76.42603	0.3
76.50778	0.3
78.91914	0.4
113.06136	0.7
115.04031	0.6
119.05067	0.7
147.89806	0.4
162.23022	0.4
215.52368	0.4
232.21135	0.3
504.23450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28200	1.4
52.36907	1.7
59.01382	27.0
61.01152	1.8
61.98836	1.5
71.01394	11.9
71.42615	1.7
72.97527	3.2
73.02934	2.4
73.98334	10.2
75.33418	1.5
79.53760	1.3
80.05048	4.1
84.53664	1.3
85.02554	1.3
85.02966	13.7
86.02458	6.9
87.02737	2.1
89.00677	78.5
89.02438	6.4
95.01363	4.6
96.00887	5.5
99.00902	2.0
101.02429	2.2
106.82041	1.6
108.04568	12.7
110.02477	2.0
113.02448	23.4
115.01577	2.0
115.02255	23.7
117.03470	3.0
119.05044	21.3
123.04532	1.8
132.02148	8.0
133.02998	19.6
133.06612	1.7
134.03766	14.6
135.04549	22.8
135.08171	60.3
136.07651	4.3
149.06117	2.5
149.09718	2.2
160.00461	2.5
160.01672	38.6
161.02466	65.1
170.16100	1.6
175.02539	2.6
175.04021	49.1
176.07034	2.7
177.05490	1.7
178.02615	3.7
179.03473	4.3
179.10777	2.3
193.05066	10.5
199.11252	6.6
219.11357	7.0
233.10048	7.2
245.09346	2.7
247.14468	2.1
263.10208	3.3
265.07303	3.4
285.03818	2.9
315.10831	1.9
351.05643	4.0
371.22043	1.7
372.03528	1.5
381.17957	1.7
425.20984	12.2
430.16061	4.2
443.21823	10.8
461.16678	22.2
462.15518	1.4
490.18900	4.7
497.21045	2.7
515.22162	21.4
516.22290	1.7
533.23285	38.2
534.23462	4.2
536.91449	1.7
559.20844	4.6
575.24310	1.8
577.22412	14.5
593.25354	37.1
594.25507	3.2
620.23578	7.5
637.21985	100.0
638.22272	13.9
648.76294	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.0
61.98825	1.5
62.92913	1.4
64.23672	1.4
65.00322	3.5
65.99854	13.0
68.99820	3.8
81.02210	3.6
82.02985	2.3
83.02518	7.2
84.00894	2.9
96.00922	7.0
96.96028	2.8
98.02486	5.9
98.21879	4.1
108.00954	2.6
109.01713	14.3
110.00111	2.9
110.02517	3.5
112.04074	3.2
117.06336	1.4
120.00935	5.1
121.01714	12.3
122.71700	1.5
125.02463	2.9
130.08757	15.5
135.03281	1.6
136.00418	9.2
136.04037	3.4
137.01195	9.6
137.99632	3.1
138.01953	2.6
138.09251	8.0
140.69383	1.5
150.01959	2.2
151.00418	2.6
152.07202	3.8
154.08771	1.7
155.08371	1.9
163.99931	7.9
165.00681	72.8
169.06541	2.2
169.09865	4.2
171.04562	6.5
178.01491	4.4
180.03111	2.7
180.06804	2.8
180.08244	2.8
192.03122	2.6
194.04567	1.7
197.09377	6.4
213.05531	2.0
218.00935	1.6
223.07303	7.0
223.10858	3.7
226.05032	2.2
229.29170	1.9
240.06754	7.2
241.05110	2.7
242.08220	8.7
252.06627	4.0
254.06081	2.7
255.06583	8.5
267.09879	34.5
267.12662	2.2
268.06149	53.8
269.04715	3.4
269.06949	86.1
270.07697	27.1
271.08316	1.8
280.06226	5.5
284.12579	7.9
294.07660	3.0
296.05734	4.2
322.07166	9.5
324.12558	4.6
340.08453	3.5
349.31583	1.8
351.13605	2.9
352.11810	3.2
369.14542	93.4
370.14893	7.2
390.06421	2.0
429.11679	2.0
465.19934	6.3
491.18097	7.1
522.11975	36.2
523.12775	25.3
524.13470	11.9
531.10583	2.0
578.10834	2.1
580.16235	3.5
587.13928	3.9
605.15918	3.1
619.15649	23.8
620.14893	1.8
637.17401	5.8
637.25391	100.0
638.04205	2.3
638.16364	3.8
638.25818	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	637.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32251	10.1
59.01378	29.8
98.22697	22.0
117.05589	76.7
122.02490	100.0
153.29268	10.8
159.06650	19.7
318.41278	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	637.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64748	7.2
50.75539	7.5
54.48079	8.0
55.23175	7.4
58.67046	7.9
59.01385	16.7
61.70137	7.8
69.11269	46.5
88.83102	8.4
106.25842	7.7
117.05600	56.8
122.02488	100.0
159.06728	19.3
174.83189	8.9
190.40242	8.1
469.94888	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	638.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01928	3.6
65.00320	8.4
65.08958	1.6
65.99851	17.1
68.99809	5.3
71.40400	1.7
81.03479	2.7
83.01392	4.4
92.99836	2.3
93.03455	2.5
94.00617	1.9
95.01393	4.6
96.00917	2.3
96.96013	11.0
105.03471	4.3
107.01386	4.2
108.00916	2.8
109.01708	3.7
109.02954	4.3
110.02490	3.5
111.00925	1.7
117.03458	2.8
118.03014	2.1
120.00922	4.5
120.99328	3.4
121.02905	2.8
122.00152	2.1
123.00897	2.8
123.03287	4.3
132.04564	2.7
133.02940	4.1
134.02498	7.7
135.03285	5.5
135.04359	1.5
136.00420	19.2
136.04033	2.5
136.98883	3.2
138.01978	4.8
139.00415	2.5
141.07191	2.2
143.05028	2.5
145.02965	2.2
145.06511	2.6
146.02489	2.5
149.02461	3.8
149.99590	5.6
150.91791	1.8
151.00397	6.2
151.02757	3.6
152.17007	1.6
157.06639	2.3
159.00912	2.8
160.04076	2.6
161.02493	3.2
162.01926	3.2
163.00400	3.4
163.99905	16.3
164.98195	2.7
165.00700	9.5
166.01434	3.9
168.77814	2.0
169.06606	4.3
170.06039	2.7
171.04506	15.9
173.06122	3.3
174.01964	3.7
175.02751	2.1
175.99873	16.2
176.03587	4.5
177.00648	1.7
177.01929	10.5
181.06560	2.1
185.68932	1.9
187.00377	11.5
187.02733	1.9
189.00639	3.0
190.01581	2.4
191.02185	2.5
192.03111	3.3
194.06122	2.6
196.04073	1.9
198.05611	2.4
200.03537	2.8
202.01433	4.1
203.02299	3.2
204.02979	3.2
208.07689	3.5
211.07701	2.3
213.05623	4.7
214.04985	2.1
215.02295	2.3
216.03094	2.3
218.00877	3.7
224.03482	4.4
224.07178	4.2
225.05602	6.2
226.01482	2.4
226.04977	3.1
226.08792	2.2
228.06670	3.3
236.07120	2.2
238.05113	6.6
240.03116	2.3
240.06702	12.2
241.05113	3.0
242.00879	2.7
242.04587	3.4
242.05615	2.5
242.08228	48.5
244.02567	2.9
252.06764	7.6
253.05150	9.3
254.05872	8.1
255.06654	31.2
264.02905	1.8
266.04550	1.7
268.06143	58.6
269.04333	3.1
269.06964	8.6
270.07730	100.0
271.08154	2.7
278.08331	3.8
280.06158	50.2
280.09238	3.3
281.08304	3.3
291.06613	5.9
294.07715	12.0
295.08307	2.3
296.05664	15.9
297.05933	2.8
298.07239	16.4
302.08206	2.5
306.07697	2.4
308.01974	3.1
308.09280	5.1
309.07755	3.4
320.05740	2.0
320.09454	2.2
322.07227	31.4
330.07724	2.6
334.07187	2.1
335.05539	7.2
344.09283	2.8
345.55002	2.0
346.07150	5.3
346.10922	3.5
348.08688	1.9
361.99069	2.1
362.10336	3.5
372.08798	2.9
386.10437	6.3
390.05881	4.6
390.10425	2.3
396.08243	1.9
412.07858	1.9
414.09741	5.0
418.05771	2.5
430.09232	5.9
432.09320	1.7
440.07892	10.3
456.10995	4.6
458.08945	9.5
502.07825	13.6
510.11920	3.7
514.42517	1.8
518.16077	4.7
520.08887	6.6
522.11945	73.9
523.12689	67.2
524.13538	26.8
525.13385	2.5
534.10663	3.3
538.11511	2.8
544.13995	9.6
562.15167	36.4
563.14795	3.3
588.13092	22.3
606.04193	4.4
606.14087	90.4
607.14520	8.4
611.13928	2.2
620.17218	3.3
638.16956	90.2
639.16974	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	638.167
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	4.6
69.87615	4.9
96.96021	2.1
98.21925	2.1
115.47329	1.7
116.92851	3.2
117.03507	2.8
118.97009	1.6
120.00901	5.0
123.03284	1.9
135.03276	2.6
136.00423	2.9
151.02695	1.7
159.04538	11.5
161.02345	1.9
163.99902	7.0
171.04568	2.3
177.00691	1.8
191.06989	7.6
191.99376	4.9
195.04895	2.2
218.00964	2.5
240.06685	5.4
242.08232	29.1
252.06670	2.1
254.04535	2.5
268.06125	12.0
270.05115	1.6
270.07724	45.4
296.05655	45.0
364.23990	1.6
375.63373	1.6
444.66052	1.8
486.84305	1.7
638.16742	100.0
639.17218	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	638.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74512	1.1
62.81907	1.1
65.00317	5.0
65.99853	8.2
68.99803	2.3
69.13239	5.2
69.13647	1.5
81.03456	2.0
83.01394	1.3
91.13251	1.0
92.99774	1.4
93.03447	1.8
95.01389	2.5
98.02475	1.3
105.03468	3.1
107.01404	2.4
109.02954	4.7
110.02487	2.1
117.03482	2.2
117.34599	1.1
118.02937	1.3
120.99330	2.2
122.02493	1.4
123.00874	2.2
131.05016	1.3
133.02957	2.2
134.02475	3.0
135.00941	1.5
135.03247	3.7
136.00449	6.2
136.01352	1.1
136.98828	1.2
138.01973	1.5
145.06596	1.6
146.02394	1.2
148.04031	1.3
149.02437	3.2
149.99600	2.8
151.00325	1.9
151.02733	1.6
159.00916	1.3
160.04065	2.5
161.02356	2.0
163.99890	5.0
164.98317	1.2
165.00661	3.4
166.01413	1.3
169.06630	1.1
170.06087	2.4
171.04520	6.4
172.04060	1.4
173.06143	1.4
174.01967	1.4
174.05556	2.0
175.99902	4.3
176.03592	2.1
177.01933	8.1
186.05515	1.2
187.00374	13.0
187.02029	1.3
187.02759	1.3
187.99979	1.2
189.01920	1.3
190.01517	2.1
192.03006	2.8
194.06194	1.3
196.04015	2.0
197.06136	1.2
198.05637	2.1
200.03520	2.7
202.01506	3.3
202.04907	1.4
204.02974	1.4
210.05638	1.8
211.07686	1.5
212.03593	1.3
213.05695	1.7
214.05090	2.1
215.02295	1.4
224.03561	2.5
224.07166	1.4
225.05560	3.3
226.01451	2.0
226.08842	1.9
227.07196	1.6
228.06668	2.1
238.05064	3.3
240.03081	1.5
240.06615	4.4
242.04655	2.1
242.05585	1.9
242.08228	29.0
243.08606	1.5
252.06677	2.8
253.04997	4.3
254.05826	2.6
255.06659	11.9
264.02954	1.2
268.02573	4.7
268.06134	24.4
269.06726	4.7
270.07724	49.1
271.08167	2.2
278.08246	3.0
280.06131	18.8
281.08350	1.5
282.04236	1.6
291.06613	5.0
294.07736	2.8
296.05597	5.8
296.08966	2.3
298.07245	3.2
306.07797	2.6
308.02066	1.9
308.09344	5.8
322.07242	8.8
323.07864	1.7
335.05554	2.1
336.01501	2.4
336.08984	1.5
342.11365	1.6
344.09192	1.8
346.07040	2.0
346.10919	2.2
352.08459	1.5
362.10281	2.5
372.08902	3.1
386.10385	7.0
388.08295	3.1
390.05634	1.8
390.10089	2.3
396.08673	1.5
412.08078	2.3
414.09778	4.0
430.09259	5.9
440.07596	9.2
456.10840	4.7
458.08783	11.3
502.07578	8.3
516.09656	1.6
518.16528	5.9
520.09161	3.3
522.12036	20.7
523.12646	20.0
524.13531	9.1
534.10077	5.8
544.14026	6.4
560.13794	1.4
562.15100	26.8
563.15387	4.0
588.13025	5.6
606.14044	40.7
607.14581	5.2
620.15839	2.6
638.16876	100.0
639.17200	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	638.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04076	1.9
56.69009	2.0
61.98839	18.1
68.99834	2.1
69.15540	12.5
82.59061	1.9
94.88200	2.0
104.77316	1.9
110.02502	3.1
120.00928	5.5
122.02474	3.0
134.02534	2.8
136.00432	4.5
159.04526	10.1
161.02542	2.2
163.99884	4.2
171.04472	4.1
191.07164	6.9
191.99428	5.6
192.03023	2.3
218.00902	4.7
225.05611	2.1
226.05243	3.0
240.06789	3.3
242.08249	18.5
255.06686	2.7
265.08856	3.8
268.06122	17.0
270.04999	3.7
270.07758	44.2
271.07919	4.7
296.05667	52.3
458.09399	2.3
490.11652	2.9
594.17310	2.8
606.14325	3.9
638.16681	100.0
639.17212	12.6
650.56757	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	638.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16859	2.2
57.89369	2.2
59.01382	26.3
60.01716	3.9
61.01827	2.7
61.98835	100.0
63.67537	2.5
64.82152	2.4
66.12263	2.2
69.34800	12.5
84.10374	2.4
93.03493	3.0
99.43475	2.2
119.04987	3.9
122.02505	5.1
123.02829	5.0
135.04539	2.4
137.79625	2.1
182.50647	2.1
246.27750	2.7
257.60251	2.3
274.50079	2.3
274.60526	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	638.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29445	1.0
59.01387	21.5
60.01707	1.5
61.98834	100.0
71.43221	1.4
77.41445	0.9
95.41617	0.9
115.73914	1.0
119.05044	1.8
122.02483	4.1
123.02851	1.4
135.04567	2.9
238.86739	1.0
401.24963	1.1
429.38220	1.3
546.93634	1.1
612.31024	1.2
642.71210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01387	3.6
65.00325	1.6
68.99806	0.6
70.36832	0.5
70.59426	0.5
72.99304	2.9
73.02962	1.8
75.00877	4.8
79.95782	0.7
82.00593	0.7
83.01370	1.1
85.02953	9.1
87.00906	2.4
89.02454	0.9
90.62138	0.5
94.65273	0.5
95.01405	2.7
97.03003	0.6
99.00894	3.6
101.02469	1.6
103.00394	1.1
103.08743	0.5
110.00124	2.4
111.00894	12.5
113.02453	9.9
117.01918	0.7
123.00897	1.9
125.02467	0.9
125.68265	0.6
129.01991	0.8
134.03735	0.9
135.04544	3.2
136.98833	1.6
137.02454	0.6
137.99612	0.9
139.00388	11.8
141.01982	0.7
149.02536	1.0
151.00400	2.6
151.85899	0.6
164.98311	1.9
165.99075	2.5
166.99863	3.3
175.02531	0.7
177.01950	1.5
178.99942	0.7
183.04521	0.8
185.06035	0.7
187.04015	1.4
189.05629	0.6
192.00635	1.4
193.01505	1.2
193.03540	1.3
211.03993	1.3
215.03513	1.4
227.03549	1.0
229.05087	0.9
235.99054	0.9
239.03554	2.3
241.01401	1.3
255.03040	1.7
256.03665	0.7
258.01642	0.8
259.02356	0.6
283.02502	1.8
285.03864	0.6
286.04358	0.8
300.02722	5.2
301.03552	100.0
302.03888	3.8
337.07758	35.2
338.08044	1.1
351.05627	2.1
353.06384	0.8
463.08896	9.3
470.39282	0.6
639.11993	61.3
640.12146	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03443	2.0
59.01384	17.4
65.00336	1.0
68.76016	0.8
68.99801	1.1
71.01386	16.6
72.99306	8.8
73.02946	4.9
75.00881	16.2
78.98340	0.8
79.95744	3.2
81.03435	1.0
81.60994	0.7
83.01382	3.2
85.02955	25.1
87.00880	3.1
89.02439	4.6
93.03439	2.3
95.01410	4.4
96.96041	1.1
97.02946	1.3
99.00891	14.9
101.02461	4.4
103.00391	2.4
109.02956	1.1
111.00875	2.7
113.02457	34.4
115.00388	1.2
119.03526	1.2
119.05021	7.9
123.00915	2.2
123.04488	0.8
123.28239	0.8
125.02448	1.0
131.03499	2.7
132.02176	0.9
133.02960	3.8
135.04533	3.3
136.98799	1.1
139.00372	6.9
141.01968	1.9
149.02458	8.8
151.00351	2.6
151.04010	3.7
153.01933	8.0
157.01419	2.3
161.02454	11.8
166.02759	5.5
166.99823	6.2
175.02559	6.3
175.03934	1.7
177.01938	31.0
181.01440	2.7
181.05070	8.9
190.06381	1.3
193.03528	10.0
205.08714	1.6
221.97427	1.5
235.04472	0.9
259.05991	0.9
269.04617	1.7
284.03094	1.1
285.03955	1.7
287.05698	13.2
301.03479	3.3
351.05716	100.0
352.06110	4.6
357.13141	1.1
387.14661	4.0
399.14417	1.4
405.15778	1.2
417.15634	1.1
461.16830	1.7
477.16299	1.5
624.64557	1.0
639.11536	5.4
639.20361	21.0
640.20239	1.5
641.01233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.121
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.51476	0.5
54.22425	0.5
57.03449	0.8
59.01381	4.8
60.54952	0.6
61.48737	0.5
61.98826	0.9
62.68683	0.5
63.29483	0.5
65.00319	1.5
69.29449	1.8
69.29861	1.1
71.01373	3.3
72.99286	0.7
73.02971	0.7
75.00874	1.8
80.77003	0.6
85.02960	7.9
87.00884	1.0
89.02459	1.1
95.01394	3.8
99.00890	3.6
101.02436	0.6
103.00379	1.0
107.01394	0.9
110.00091	1.5
110.30910	0.5
111.00890	12.1
113.02462	12.9
117.01933	0.8
119.05028	1.4
122.07077	0.6
123.00900	1.6
125.02364	0.9
129.01985	0.7
133.02943	1.0
135.04527	3.4
136.98849	1.1
139.00388	15.6
144.03665	0.5
150.84581	0.5
151.00381	2.1
153.01996	0.6
153.80550	0.6
161.02472	0.8
164.98277	1.7
165.99132	0.7
166.99873	4.6
171.04504	0.6
175.02484	3.7
177.01988	1.3
178.99867	0.8
181.01460	0.7
181.05054	0.8
185.02466	0.7
185.06093	0.6
187.04037	1.7
187.41512	0.5
188.13452	0.6
189.05649	1.0
192.00728	0.8
195.04530	0.9
201.01944	0.6
201.05632	0.9
206.52158	0.7
211.04022	2.3
215.03488	1.2
227.03523	0.6
227.29814	0.6
229.05034	0.8
239.03526	2.4
241.01450	1.0
255.02954	0.8
258.01855	0.6
283.02435	1.2
287.05692	3.4
300.02975	1.3
301.03549	100.0
302.03906	3.0
463.08853	40.2
464.09518	1.7
477.06787	4.8
477.18719	0.6
639.11920	10.8
639.21259	0.8
640.12744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.6
57.25784	0.6
57.37104	0.6
59.01404	3.1
69.03442	1.0
71.41875	0.8
73.02950	1.5
83.01356	0.7
85.02972	0.7
95.01406	2.9
97.02967	0.7
98.64170	0.6
99.72462	0.6
101.02444	1.2
101.99356	0.6
106.60282	0.6
107.01385	0.8
107.13217	0.5
107.86546	0.7
113.02489	1.2
113.26545	0.6
121.02943	1.8
123.00898	13.1
124.01678	34.2
125.02466	16.3
125.03335	1.4
137.02448	0.7
149.02455	10.7
149.99600	48.6
151.00368	3.2
163.04100	0.9
164.04819	7.7
165.01878	0.6
166.02740	1.9
166.99887	0.8
167.03561	0.8
168.00656	97.5
169.01405	6.8
177.01892	1.3
179.03525	0.7
179.07133	1.3
180.04358	1.0
181.05173	3.0
190.02713	1.1
195.06569	1.4
205.05009	1.0
208.03853	1.4
221.04688	0.9
223.06084	6.0
225.07918	0.8
301.05719	1.9
387.14557	0.9
415.08960	1.0
433.09860	4.6
639.15710	100.0
640.15820	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	639.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.8
72.99313	1.0
73.02943	1.8
73.58913	0.9
81.65335	0.9
83.01389	1.2
95.01386	2.9
97.64902	0.8
101.02416	1.2
119.04993	1.4
121.02946	1.6
123.00896	15.1
124.01681	32.2
125.02464	16.0
147.04497	0.9
149.02444	10.9
149.99596	51.8
151.00398	4.5
151.04036	1.2
152.01138	1.0
164.04794	8.3
166.02690	2.5
168.00656	91.9
168.83865	0.9
169.01442	4.4
177.01871	2.2
180.04184	0.9
181.05020	5.4
190.02705	1.1
195.06609	1.2
205.05019	1.9
223.06090	5.4
229.59105	1.1
301.05624	2.8
303.04956	0.9
387.14618	1.2
433.09689	5.9
629.62842	1.0
639.15686	100.0
640.16168	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	23.8
65.99858	12.9
68.99824	7.0
69.44625	15.1
71.01397	4.0
93.03432	7.9
96.79297	4.0
96.96036	7.0
97.02978	18.6
98.02489	4.0
98.21877	5.3
99.00883	4.5
101.02502	3.9
106.77536	3.5
110.00130	3.8
111.00886	12.4
112.01556	3.8
117.02496	3.4
117.03494	3.5
119.05032	38.2
120.99303	6.8
123.04536	3.9
133.03029	3.6
134.02489	3.9
135.04541	4.9
136.00424	22.4
136.03978	3.7
136.98788	17.2
138.02020	5.2
139.00389	10.2
139.04027	15.0
143.05035	4.3
145.02957	6.1
150.02016	5.8
151.00433	5.7
152.03488	4.2
161.02425	7.1
161.06155	4.7
163.99878	23.5
164.01135	6.9
164.98314	22.4
166.01443	7.1
167.03505	4.3
168.06714	4.0
169.06665	4.2
171.04492	13.1
174.01973	6.3
175.99899	5.4
183.14200	3.4
185.06085	4.4
187.03999	9.9
190.01433	3.8
190.05127	3.4
191.99353	3.8
192.03101	6.7
197.06165	5.2
202.01582	4.5
203.69109	3.6
204.02954	4.3
206.04597	4.1
216.03116	4.8
218.00932	14.3
225.05542	3.7
237.09190	4.4
240.06560	9.1
241.05121	13.3
241.24194	4.0
242.00972	6.0
242.06134	4.0
242.08147	21.1
246.69391	3.8
250.08633	4.2
253.05057	4.3
255.06651	8.3
268.06168	44.3
269.04544	62.8
269.07077	5.2
270.05078	7.0
270.07727	51.7
271.06039	14.3
278.08255	7.6
280.06107	16.8
284.05557	8.3
286.07315	10.4
289.07199	19.0
294.07739	5.6
296.05692	51.0
301.03424	5.6
306.07819	5.1
308.05719	6.6
320.09161	6.6
322.07135	18.6
324.08533	4.1
326.10300	5.8
338.06946	8.3
346.07303	5.8
352.08243	13.8
364.08163	11.1
368.12305	9.0
370.09433	7.6
390.06271	32.7
392.07706	5.6
408.07208	10.3
418.05765	8.5
459.12015	7.3
494.12338	35.5
495.12720	4.0
504.62979	4.2
538.11469	100.0
539.12091	36.3
540.12726	12.9
552.09283	5.5
639.15125	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07130	1.5
61.98825	1.8
65.00327	12.0
65.99856	5.5
66.03493	3.1
67.01875	2.0
68.01411	3.2
68.99823	5.5
69.04595	1.6
69.54147	7.9
69.54481	1.5
74.89209	1.7
82.15318	1.8
92.01418	2.5
92.99799	1.8
95.01392	2.6
96.00934	2.4
96.96035	2.2
108.00992	2.1
109.02964	2.8
110.02496	26.9
111.00893	5.8
116.05132	1.9
116.32619	1.9
120.00965	3.0
122.02477	2.0
123.03318	5.2
125.02422	2.4
134.02521	7.5
135.03271	6.1
136.00415	10.7
136.98820	6.6
137.02397	2.5
138.01965	2.8
139.99918	3.2
142.05098	5.2
146.02484	2.5
149.01222	1.8
149.99557	2.3
150.01974	3.5
151.02779	3.2
162.01973	3.2
163.00389	3.0
163.99901	5.4
165.00690	4.8
171.04556	9.6
173.06120	2.4
175.99878	2.5
177.01982	2.6
184.07773	2.4
192.03070	4.1
196.02516	17.4
208.07729	2.5
209.06145	2.3
220.02582	8.1
220.07817	1.9
224.07198	4.0
225.05540	2.6
226.08725	4.4
228.06668	2.9
232.07729	1.9
236.01941	4.6
240.06731	4.2
240.85022	2.1
241.05060	2.5
242.08250	46.7
243.08632	8.7
248.07118	2.6
252.06676	4.4
253.05070	2.7
254.05649	2.2
255.06624	7.9
256.07040	3.4
259.06287	2.4
260.07230	2.5
264.01602	2.6
267.05246	2.3
268.06189	21.6
269.04221	4.6
269.06900	9.7
270.07739	100.0
271.08264	16.6
276.06610	5.2
278.08356	7.0
280.06253	8.3
293.68729	2.0
294.07727	5.9
296.05667	16.3
296.09332	6.7
297.05899	2.5
299.05573	2.4
302.08517	1.9
310.48615	2.0
320.05713	4.2
321.08954	3.6
322.07144	9.5
323.07651	6.3
340.08353	3.0
348.05472	2.5
351.07623	2.7
367.08444	2.2
368.07773	32.8
380.13000	6.4
393.07230	13.3
397.25406	2.2
398.13980	17.7
399.35068	2.2
404.12860	4.5
436.09265	5.2
448.11908	3.0
466.12888	11.4
474.08185	3.9
518.12354	6.3
520.10590	17.6
522.12067	5.7
523.12451	28.4
524.13116	28.2
525.13934	9.5
535.15076	5.4
536.15173	2.5
552.13055	9.8
563.15405	2.4
572.09839	3.1
578.14429	3.3
587.14203	2.3
607.14117	6.1
622.13678	11.4
639.16272	19.5
639.83557	2.3
640.17505	2.4
650.75146	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	639.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57628	0.4
64.01912	1.5
65.00325	1.8
65.99854	12.9
67.40241	0.5
68.99826	1.4
70.94826	0.7
80.27466	0.5
81.14243	0.5
88.01978	0.5
96.00925	2.7
100.93826	0.4
108.00914	1.5
109.01686	3.6
110.00100	0.6
110.02498	1.7
120.00929	2.0
121.01718	2.2
122.02520	0.7
123.03289	3.4
124.00367	0.6
125.64307	0.4
133.01775	0.5
134.02495	2.6
135.03279	3.7
136.00412	13.1
137.01215	1.1
138.01970	1.7
139.59659	0.5
151.02773	3.7
155.02223	0.6
163.99907	10.0
165.00691	11.4
166.01474	1.2
168.04553	0.6
170.06032	0.7
171.04503	2.5
175.99857	3.5
180.08147	0.5
189.00630	0.7
192.03069	2.3
194.06039	0.6
197.06125	0.7
198.05595	0.8
200.07155	1.1
208.32491	0.5
212.07068	0.4
220.04083	0.9
222.05640	1.3
223.06418	0.7
224.07169	2.0
225.05511	0.8
226.05095	1.5
226.08725	1.6
228.06714	1.2
230.07809	0.4
238.05116	3.7
239.03261	0.4
240.06715	1.4
242.08247	28.1
243.08615	1.4
251.05974	1.0
252.06662	2.1
254.05832	0.9
265.03812	2.3
266.04544	2.7
268.06165	51.3
269.06937	16.2
270.07727	100.0
271.08081	4.4
278.04596	0.7
280.06161	16.6
282.12851	1.6
326.61685	0.6
328.09390	0.5
342.11371	3.5
343.09641	0.8
358.10693	0.8
369.10065	8.5
370.10876	29.9
371.11249	1.2
406.13449	0.6
473.62015	0.5
621.16748	2.8
622.17249	0.6
639.17822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1938
Annotation	Lugrandoside
Peak:m/z	Relative Intensity
57.03428	1.1
59.01386	8.9
63.47475	0.7
69.41572	3.3
71.01392	8.5
72.78892	0.8
72.99311	0.9
73.02937	1.5
77.03938	0.8
77.76577	0.7
79.01888	0.7
83.01391	0.9
85.02971	10.1
88.98811	1.6
89.02453	3.7
93.03476	3.6
95.01422	3.9
95.05009	0.8
98.21880	0.7
101.02475	1.5
105.03448	1.2
106.97587	0.8
107.05038	2.0
113.02454	18.4
121.02961	2.1
123.04536	3.8
124.01629	0.8
132.02165	1.5
133.02977	15.5
135.04539	13.4
137.02441	1.8
140.27551	0.7
145.03018	0.6
149.00557	0.7
149.02460	17.4
150.03159	0.8
151.04030	7.8
152.01207	1.0
153.05653	1.7
161.02461	13.6
161.04539	0.8
165.01929	1.9
167.03476	1.1
168.00739	0.8
177.01947	100.0
178.02299	3.0
179.03552	4.4
180.04297	1.4
195.02980	2.5
195.06667	1.8
197.04564	1.5
225.07588	1.1
253.12628	0.8
287.05615	0.8
301.03610	1.2
315.10974	1.5
351.05685	1.5
387.14307	1.2
409.98569	0.8
422.52808	0.7
461.16745	11.7
477.15897	3.1
639.19385	72.0
640.19739	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19872	3.6
60.90614	3.7
61.98837	69.9
63.02385	4.1
65.00343	8.0
80.87037	3.5
83.01369	5.8
84.75660	4.0
86.04774	3.6
91.01952	3.9
96.00917	4.3
96.96033	9.0
107.01424	5.2
110.02500	19.7
112.98792	8.0
119.19263	3.7
122.09191	4.4
123.04552	6.1
125.02417	4.3
134.02483	7.6
135.03276	7.4
136.00391	15.0
148.04077	6.2
151.00392	8.6
163.99934	16.0
169.06606	6.4
171.04492	13.4
173.23978	3.9
179.04674	6.2
185.06030	5.5
191.03505	5.1
195.16904	4.2
211.07521	5.4
213.05624	11.1
219.04123	19.1
239.07173	10.7
240.06544	5.0
242.08257	34.9
247.03699	24.6
251.10956	4.5
255.06641	80.3
268.06216	52.1
270.07724	71.0
271.08301	8.5
273.96722	4.1
278.08432	6.5
295.09802	25.9
296.05692	27.8
296.09055	6.7
314.10406	19.4
315.05316	7.6
323.10446	7.7
338.10425	53.3
339.10638	6.3
351.10129	18.9
368.05481	7.3
370.13016	28.9
383.12637	39.4
393.07248	12.5
472.11880	6.7
472.96793	4.6
496.10345	7.0
515.12756	6.3
528.10767	8.3
558.08405	5.2
560.13519	40.7
565.97510	5.2
603.13904	24.1
607.15277	14.1
639.19836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34608	1.7
52.93415	1.8
55.27413	1.8
58.48261	2.1
59.01385	4.9
59.12493	1.9
65.00329	9.3
68.99823	2.2
80.49112	1.9
81.92922	2.2
89.08762	1.6
95.01392	2.7
96.96017	2.9
102.05597	8.5
106.02969	2.9
108.02178	2.3
110.02477	2.6
111.00883	2.7
111.04544	2.1
117.03451	2.6
119.05044	28.9
120.00906	5.6
130.02922	1.9
134.02513	4.2
135.03239	2.5
136.00424	8.9
136.98767	5.9
138.01939	2.1
139.00380	2.9
143.05023	4.1
145.02966	3.2
145.06569	6.2
146.02487	3.6
149.99541	2.3
150.01973	5.5
151.00394	4.5
161.02351	2.6
163.99910	12.8
164.98227	6.7
166.01485	3.7
167.03487	2.5
169.06416	1.9
170.02524	2.4
171.04529	8.3
174.01976	9.3
187.03990	5.0
190.01465	4.6
191.99348	3.8
192.03105	4.0
198.01982	2.9
209.05930	3.6
214.01524	3.9
215.02130	2.0
218.00923	9.2
225.05667	5.2
236.07147	3.9
240.06569	3.7
241.05034	2.5
242.00963	6.5
242.08165	20.9
250.08835	2.8
252.06717	2.4
253.05090	3.5
257.04443	4.0
268.06171	16.9
269.04532	20.7
270.00470	2.6
270.05286	4.0
270.07742	52.7
271.05972	3.9
275.07169	2.2
278.08240	13.8
280.06052	5.6
282.11346	3.5
284.05695	3.7
285.99911	4.2
286.07193	3.0
294.07733	3.9
296.05661	64.3
296.09131	3.2
306.07574	3.4
318.07355	2.4
320.09235	3.2
322.07281	12.9
324.05096	3.3
324.13406	2.7
338.06937	3.0
342.14505	4.3
346.07263	6.1
348.08881	3.0
352.08264	3.4
364.08270	4.0
368.12592	5.5
370.09570	2.9
390.06223	67.4
391.06650	4.4
392.07755	6.5
418.05670	8.1
494.12488	100.0
495.12915	5.4
538.11462	69.2
539.12128	22.2
540.13007	8.6
577.16437	2.7
595.21747	3.3
621.15271	5.4
639.21985	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	639.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60158	10.3
53.65788	10.5
54.20508	8.1
65.56906	10.3
71.41312	8.1
75.16761	10.3
107.56271	9.6
112.95764	7.7
115.04020	100.0
116.88312	10.4
171.68523	9.2
259.23718	9.7
306.63785	8.7
357.34866	11.5
370.15375	10.0
394.22711	9.8
565.66113	10.5
639.27679	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	639.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58072	4.0
59.01387	8.3
61.98832	10.2
87.05394	4.1
97.94077	4.1
117.05576	12.3
120.10220	4.2
122.02486	100.0
123.02748	4.7
141.05585	16.8
159.06639	5.1
178.77492	3.6
218.85376	4.0
639.31537	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40930	7.6
59.01379	13.3
63.48091	7.1
78.21635	7.7
84.05582	8.4
85.06576	10.6
97.06616	9.5
98.22729	15.4
113.06105	18.3
115.04026	22.9
115.07658	18.6
119.08670	8.9
139.04031	65.7
145.56290	9.0
163.07668	36.1
171.06641	84.8
229.15987	11.1
229.37430	9.6
255.13887	21.7
273.14914	100.0
375.77634	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	639.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66105	4.3
57.05366	3.8
59.01377	10.1
61.98847	21.0
65.39965	4.6
69.76681	8.4
69.77045	8.8
71.01376	7.4
74.60356	3.8
78.53860	4.6
87.48158	3.5
96.17540	4.3
96.96018	4.4
107.05141	4.1
112.62419	4.6
116.92845	6.2
117.03455	8.0
119.05040	10.7
122.02451	4.7
135.04533	8.9
136.98814	4.9
148.70630	4.5
160.45944	4.3
192.11540	4.3
202.68295	4.0
209.11745	4.1
220.14665	38.9
221.15468	100.0
236.10587	65.2
269.12115	11.6
293.17651	58.5
498.08420	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	640.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49513	1.7
61.98832	12.4
65.00335	4.2
68.99798	2.1
69.10298	13.4
73.51790	2.0
83.87148	2.1
87.34235	1.9
88.60310	2.0
94.66405	2.0
96.00900	2.3
110.02458	4.3
110.08670	1.8
110.31688	2.1
117.03475	2.8
119.94727	3.1
120.00957	2.4
123.03203	2.7
134.02510	6.3
135.03296	3.1
136.00409	3.8
138.02008	2.8
141.07117	6.8
143.05028	4.8
151.02701	4.7
158.56865	2.0
165.00653	5.9
171.04520	20.0
185.06151	3.9
200.07158	2.3
207.95261	1.9
213.05559	24.3
218.16469	1.8
225.79823	2.5
242.08223	37.3
248.07220	2.7
257.04587	6.7
268.06369	5.1
269.04440	2.9
269.07043	4.6
270.07727	100.0
271.08206	3.8
278.04602	2.8
279.23309	3.7
297.09076	3.5
299.10895	2.5
308.11139	2.9
325.08701	10.9
326.09515	21.3
336.10089	4.4
338.11963	4.3
370.08499	5.8
392.84818	2.2
398.13980	3.7
436.11938	4.6
437.12744	4.8
476.27982	4.9
552.18158	38.2
553.18634	5.6
554.16254	3.3
578.16046	3.5
596.17151	27.5
597.17517	3.1
640.16370	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34260	2.7
59.39692	2.7
61.98814	3.9
64.01917	4.8
65.00339	4.0
65.99855	40.1
70.13875	6.5
102.33302	2.8
105.25173	2.2
136.00365	3.5
145.02962	8.3
167.04990	2.9
171.04541	10.0
175.99913	20.4
181.63123	2.7
189.00781	2.8
202.01552	3.0
213.05592	5.9
218.35185	2.8
238.05200	4.3
240.06526	3.3
252.06712	4.6
255.02911	3.8
255.03648	3.5
255.06580	35.4
267.03186	6.0
268.06143	8.5
269.04532	4.2
270.07721	8.1
280.02539	16.9
280.06137	50.9
315.03351	2.8
342.07965	3.1
348.24878	2.9
357.78946	2.8
359.09305	23.7
364.07529	2.6
371.09210	10.7
384.08759	58.1
385.08722	2.5
512.80334	2.7
546.11975	9.6
547.12885	2.9
640.16144	100.0
641.16675	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	640.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91223	0.4
58.04100	1.5
61.98841	0.7
65.00326	14.0
68.99823	1.0
84.89659	0.4
85.50608	0.4
86.02473	1.7
92.99834	3.4
95.53659	0.4
96.04485	0.4
96.99313	4.4
105.03438	0.8
107.05029	0.6
108.99313	0.9
110.00075	1.1
111.00846	0.4
117.03448	0.4
120.99316	1.7
123.00825	0.6
123.04509	0.7
124.01675	0.6
130.77281	0.4
133.02946	1.5
136.98817	12.8
139.00363	0.9
149.99603	0.4
151.00467	0.6
152.01187	0.5
163.04051	0.4
164.98303	33.4
167.03554	0.4
169.06543	0.9
171.04536	1.2
173.06076	1.0
177.99068	1.9
181.06560	1.1
183.08157	0.7
193.10260	1.5
195.08197	1.2
197.06134	1.4
199.04019	2.6
209.09715	1.1
211.07678	3.0
213.05762	0.8
217.98737	0.4
225.05582	1.3
227.03401	1.4
237.09224	14.1
238.09644	0.4
241.05080	6.2
243.06602	1.8
246.98763	0.4
249.09241	0.9
253.05190	0.7
255.06627	0.6
269.04556	100.0
270.04916	4.5
271.06110	5.5
284.12943	0.6
287.05786	0.7
297.03973	0.8
299.01941	1.5
299.05347	0.5
308.14130	6.1
314.04340	0.9
324.13449	0.5
325.03525	1.3
326.14999	0.8
329.06729	2.4
351.05157	0.8
352.08713	0.4
368.07736	1.5
370.09277	1.8
370.14072	3.9
405.06357	1.0
509.12244	0.7
510.06061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63263	2.1
59.01387	83.1
61.98833	6.7
63.07840	1.6
68.06463	1.7
69.16095	3.5
69.16498	9.4
71.01395	7.2
83.01391	2.0
85.02968	1.8
89.02469	8.1
93.03503	2.4
99.04529	7.7
101.02478	3.6
106.06651	6.7
108.04533	1.9
111.09863	2.1
113.02459	2.7
119.03540	2.9
119.05041	3.2
122.06121	4.8
134.05098	2.7
134.06133	43.6
135.04539	3.9
137.02480	4.6
143.09213	1.8
152.07175	5.3
160.05312	2.7
194.08234	3.1
225.10384	3.1
235.13402	5.8
236.13779	2.4
237.06561	2.8
237.10362	5.5
238.07352	3.7
239.08365	2.1
249.10320	2.4
251.08360	7.5
252.08972	3.7
253.09874	8.8
263.08292	4.8
265.06213	9.5
265.09909	5.9
266.06995	14.7
277.06268	2.1
278.06967	8.1
279.07831	5.1
280.08557	6.2
281.06726	6.1
281.09360	77.9
282.09909	2.2
292.08548	3.0
293.04364	1.9
293.09344	47.2
294.10001	6.1
307.10986	9.3
313.12015	7.8
325.11972	2.6
339.13596	1.8
374.51181	1.9
400.16595	5.2
413.13525	2.2
428.16046	14.7
459.27448	7.6
460.18771	16.0
460.28040	4.8
488.18347	91.7
489.18372	2.5
504.17590	3.1
520.20996	35.2
521.20575	2.0
532.17328	60.3
564.19910	100.0
565.20203	4.9
641.22388	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	640.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	73.1
61.98832	2.2
69.70737	1.7
69.71070	6.1
79.22714	1.6
82.95429	2.8
89.81293	1.6
98.21903	1.9
106.06631	10.2
119.05015	1.8
122.06133	7.5
132.04611	2.5
134.06142	75.9
152.07213	8.3
164.98225	1.8
194.08260	4.3
213.10406	4.7
224.09647	2.1
225.10484	4.4
237.06702	4.1
237.10371	13.9
238.07190	2.4
239.08363	2.2
245.05722	2.4
249.10478	4.5
251.08286	5.6
251.11853	2.3
252.09102	2.9
253.09862	7.0
263.08282	3.3
265.06235	6.6
265.09845	6.7
266.06973	12.9
266.10190	2.9
267.11389	2.4
278.06952	7.9
279.07803	6.4
279.11533	3.5
280.08499	6.6
281.09354	80.6
282.09616	2.2
285.04193	2.3
286.04416	2.7
292.08539	5.5
293.09366	48.5
294.10037	4.7
307.07620	2.6
307.10782	10.4
313.11880	11.8
325.12033	4.4
339.13583	3.1
360.17392	2.7
384.17215	5.0
385.15137	2.7
386.15231	2.8
400.16858	8.0
413.13834	3.2
428.16223	22.7
444.19421	4.0
460.18884	40.8
478.19766	2.5
488.18332	64.0
489.18918	2.6
492.21173	9.7
504.17874	3.1
513.90955	2.0
520.20947	85.4
521.21356	3.4
532.17310	31.0
552.23517	19.2
554.21326	2.2
564.19958	100.0
565.20313	7.0
572.11639	1.8
596.22504	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	640.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	10.6
69.29959	10.8
71.01366	4.7
85.02971	6.4
89.02457	4.7
89.32523	2.4
93.16154	2.2
95.01369	2.6
95.05000	3.4
101.02460	3.6
102.60174	2.5
103.79290	2.4
109.17307	2.8
113.02435	9.9
123.04502	5.6
125.02431	4.2
133.02956	11.0
134.03271	3.7
135.04541	4.7
136.04802	4.1
137.02449	3.7
137.06050	2.7
149.02455	3.0
158.08885	2.4
161.02457	19.0
162.02742	7.3
165.00681	3.5
165.01933	27.8
167.03516	17.4
167.67348	2.4
176.04865	2.6
177.01955	54.3
178.02255	21.3
179.03496	11.2
180.04283	21.6
192.04309	4.0
194.05865	5.3
195.06627	40.0
203.18022	2.6
207.06528	5.7
209.04605	16.9
209.08154	20.9
210.05513	5.4
225.07692	100.0
226.08025	5.8
239.05571	4.6
268.86679	2.2
393.17398	2.5
416.20959	2.6
435.16779	8.1
461.16223	3.2
462.16861	8.6
478.16187	3.1
521.12811	9.5
607.63751	2.8
640.19550	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	641.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.0
57.03442	1.1
59.01384	3.5
62.09621	0.8
68.99845	1.1
69.03460	1.2
69.13238	2.8
69.13651	1.6
71.01385	4.5
72.99308	1.3
73.02933	1.4
75.00893	1.7
77.39100	0.9
81.03460	1.1
85.02932	6.1
88.98826	0.8
89.02526	1.4
95.01402	1.9
96.96007	1.1
97.02971	3.6
99.00897	4.8
101.02464	2.2
105.74349	1.0
108.02203	4.3
109.02975	2.5
110.00116	5.1
111.00894	14.7
113.02497	5.1
113.14196	0.9
117.03518	1.3
123.00927	3.5
123.04533	3.5
125.02473	3.4
133.02965	1.9
134.03728	1.5
135.04607	1.4
137.02472	2.0
137.99657	1.2
139.00388	18.2
140.00079	1.8
140.01176	32.9
141.01958	84.7
151.00417	1.8
152.01157	8.6
153.01947	12.1
159.04509	1.0
161.02434	9.9
165.99120	5.1
166.99911	1.2
167.03488	10.7
168.00691	2.9
175.02486	0.8
179.03508	0.9
180.75603	0.9
181.05174	1.2
193.01392	1.5
215.03458	1.4
217.05092	0.9
284.03363	2.3
297.06363	1.7
301.03622	2.5
302.04355	9.8
303.04987	16.6
303.07458	11.5
311.07785	2.3
386.39618	0.8
464.09113	0.9
465.10388	100.0
466.10760	3.6
479.12210	11.9
521.12817	1.3
581.55487	0.9
592.56085	1.0
623.19928	1.3
641.13324	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	641.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.3
61.98815	1.6
65.00327	10.1
65.74236	1.3
68.99796	1.5
71.01379	3.5
84.93095	1.5
85.02975	2.0
91.01904	2.2
92.99870	2.2
94.68726	1.7
96.99366	2.5
101.02492	2.0
107.01405	2.8
108.02169	4.1
109.02949	4.6
110.00079	2.2
111.00926	1.5
113.02368	1.8
123.04548	7.9
123.26064	1.6
133.02965	24.5
135.00908	1.8
136.98834	17.6
137.99174	1.9
139.00372	2.4
151.00441	1.6
152.01152	6.8
153.01932	5.9
164.98294	39.6
165.98987	5.8
166.02795	1.7
167.03510	13.6
171.04523	1.8
178.99840	1.8
179.72588	1.4
180.00681	7.2
181.01384	3.8
183.04518	2.1
185.02504	5.5
195.02950	2.6
201.01894	2.2
203.00000	1.6
227.03519	5.4
229.15221	2.1
230.99414	1.7
241.05032	3.2
243.03035	1.8
246.01732	2.7
252.87537	1.8
253.01378	3.7
255.03052	6.3
261.04056	3.8
269.04517	10.1
270.05008	10.4
270.07437	1.7
271.02551	12.8
281.00824	2.2
285.04034	1.9
297.06226	2.0
299.01987	88.3
300.02383	4.8
311.08154	7.1
313.03558	9.2
314.04352	72.4
315.04605	4.3
328.05823	1.9
329.06683	98.6
330.06943	3.6
371.08694	1.8
491.11841	1.8
641.15125	100.0
642.15509	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	641.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
58.99614	1.0
59.01383	8.0
66.28052	0.8
68.41856	0.9
69.07787	6.1
71.01391	2.6
73.02953	1.1
81.03456	11.6
83.01399	6.4
85.02934	1.3
86.64137	1.1
93.03482	1.5
93.59097	0.9
95.05042	13.7
96.96021	11.2
97.02959	4.4
99.04530	4.6
101.02464	1.5
102.98589	2.1
103.91405	0.9
108.02187	1.5
109.02959	3.4
113.02454	2.5
119.05042	1.5
120.99703	1.0
121.02984	2.3
122.03790	2.4
123.00942	1.5
123.04539	16.7
124.01699	2.3
125.02467	23.3
126.02932	1.1
137.02443	5.1
137.06108	15.7
139.04002	3.8
141.01692	1.9
141.05576	1.5
147.04535	1.1
149.02486	1.2
149.06055	1.4
149.99609	1.3
151.04047	1.3
153.01970	3.5
155.03444	2.0
163.04010	3.2
165.01932	1.8
165.05565	5.0
166.02716	2.1
167.03511	64.6
168.00609	3.7
168.03807	1.3
177.05626	2.4
179.03600	13.8
180.04295	4.6
181.05067	4.8
191.03539	2.5
193.05042	3.5
197.04588	4.6
205.05035	2.3
208.03699	1.4
209.04565	100.0
210.04941	2.8
221.04623	4.9
223.06155	10.8
233.04533	3.6
239.05621	26.5
251.05605	3.0
253.07202	4.3
263.05588	2.8
281.06793	1.4
283.04941	3.6
285.04132	2.9
293.06570	1.2
297.06046	5.5
372.89038	1.0
521.13062	61.3
522.13239	4.3
551.13989	19.7
552.15002	1.4
563.14282	1.8
582.43213	1.0
623.15900	2.6
641.16382	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	641.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.2
57.03430	5.0
57.27214	1.9
59.01380	19.8
64.58421	1.5
66.53029	1.7
69.13406	11.0
71.01387	28.3
72.99303	11.4
73.02927	5.8
75.00866	12.9
81.03479	1.9
85.02957	26.9
87.00871	7.6
89.02433	6.7
94.93892	1.8
95.01362	5.0
98.21890	4.1
99.00877	2.8
101.02436	4.5
103.00352	2.8
107.01399	3.4
108.02166	5.3
109.02962	8.4
113.01730	2.6
113.02458	38.8
123.04537	9.6
133.02966	36.0
135.04532	25.4
137.02446	34.8
152.01140	5.5
153.01933	7.6
153.05550	3.9
161.02457	100.0
167.03493	22.4
175.02454	2.1
175.38956	1.8
179.03520	7.2
193.03584	13.0
209.04485	3.9
297.06061	5.1
311.07687	8.0
316.75845	2.0
451.12756	2.5
461.16605	19.2
465.13400	2.0
479.11832	2.8
491.14059	9.3
521.13184	3.0
609.15039	2.9
623.19867	85.7
624.19458	5.2
641.17230	78.8
642.17712	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	641.173
Annotation	Brartemicin
Peak:m/z	Relative Intensity
59.01384	2.2
69.28982	0.9
69.85886	3.9
71.01383	3.2
73.80158	1.0
81.03467	1.7
83.01410	1.2
85.02989	1.7
95.01408	1.5
97.02900	1.0
98.21998	1.5
99.35658	1.2
101.02463	2.5
107.01411	4.8
108.02186	27.0
109.02973	7.7
113.02448	2.8
123.00841	1.1
123.04539	19.3
125.02501	1.9
137.02451	2.0
149.02501	1.7
151.00374	5.4
152.01172	48.9
153.01961	19.9
161.02513	1.7
166.02721	6.9
167.03508	78.5
181.05055	6.5
191.03542	10.8
209.04579	6.8
296.05402	2.5
297.06161	15.5
311.04425	1.7
311.07773	20.8
333.00580	1.7
353.08719	2.6
479.11987	100.0
480.11929	5.2
513.04248	1.2
521.13104	3.5
623.19397	1.7
641.17322	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	641.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39155	0.6
55.01883	0.6
59.01377	2.6
59.46694	0.5
61.09543	0.6
61.98835	0.8
71.01382	4.7
73.02957	0.8
81.03464	2.6
83.01382	1.6
85.02953	2.0
87.00854	1.2
88.98815	1.8
89.02433	0.9
90.15391	0.6
91.01896	1.7
95.01398	1.5
95.17867	0.5
95.77426	0.5
96.99301	1.1
98.22637	1.2
98.97327	0.5
101.02450	2.7
103.97368	0.5
107.01382	3.6
108.02184	28.3
109.02967	8.0
111.00852	1.4
111.49033	0.6
113.02450	3.5
120.65206	0.5
121.02983	0.7
122.03744	0.9
123.00898	1.6
123.04540	18.1
125.02455	1.6
131.01385	0.7
133.02998	0.7
135.04539	1.1
136.01735	0.6
137.02422	1.4
144.92235	0.5
149.02483	3.5
150.03206	0.8
151.00414	5.3
151.03990	1.2
152.01170	48.5
153.01953	17.8
161.02487	1.6
166.02734	7.9
167.03510	72.6
168.03813	1.3
175.00380	1.4
177.01947	0.7
179.03464	1.0
181.05096	5.9
191.03513	24.6
194.02156	1.1
195.03017	1.3
202.37486	0.5
209.04578	5.9
221.04543	1.7
233.04559	1.4
251.05634	0.7
296.05457	1.8
297.06204	15.7
311.07751	18.8
353.08798	4.3
465.10358	0.6
473.12857	1.7
479.11984	100.0
480.12372	4.1
521.12769	4.6
602.96423	0.6
626.96802	0.7
641.16925	3.6
641.30347	0.6
642.17749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.173
Annotation	Brartemicin
Peak:m/z	Relative Intensity
59.01389	9.3
61.98834	53.2
65.22988	1.5
69.03458	3.6
69.87141	5.5
71.01398	8.1
72.99295	2.3
81.03471	7.1
83.01392	8.8
83.05018	1.8
85.02985	5.0
89.02461	3.9
93.03478	7.2
95.01378	5.3
96.96000	2.4
97.02945	11.1
99.00888	3.5
101.02448	5.3
107.05062	5.5
108.02179	10.8
109.02979	7.0
111.00903	2.8
111.04534	6.6
113.02437	10.3
114.93523	2.6
116.92855	3.0
117.03473	4.5
119.05047	5.6
121.02981	9.1
123.00898	8.0
123.04526	15.2
125.02463	16.3
126.74081	1.8
133.03011	2.3
135.04524	13.4
136.01675	3.7
136.04065	1.9
137.02463	10.0
138.03224	2.7
139.04024	13.0
141.01976	5.4
147.04538	1.8
149.02477	4.2
151.00418	3.9
151.03989	13.7
152.01160	19.0
153.01950	15.8
155.03513	3.1
159.04541	1.9
161.02448	5.8
163.00458	8.5
163.04016	10.6
165.01944	5.6
165.05595	2.3
166.02756	5.6
167.03513	43.0
167.49898	1.7
168.60156	1.9
175.04053	3.2
177.01974	6.0
177.05565	1.7
179.03479	20.5
181.05130	3.1
189.57779	1.9
191.02017	2.1
191.03496	11.6
193.05135	2.4
195.02994	6.5
197.04512	3.2
203.03609	1.9
207.03012	34.8
209.04558	8.0
218.56894	1.7
219.02969	7.7
237.04131	3.8
239.05592	4.8
280.27533	1.8
297.06284	5.2
303.05118	2.8
311.07867	9.5
317.08829	2.2
327.07169	4.6
329.08984	2.6
359.09848	100.0
360.10196	3.2
389.10950	4.7
465.10495	2.5
479.13586	71.6
480.14169	2.6
521.13098	32.1
522.13666	2.9
641.17188	50.5
642.17444	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	641.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	1.6
65.99847	1.1
68.99815	1.1
70.03893	1.7
73.83891	0.8
73.86713	0.8
81.03482	0.7
82.02972	2.9
85.02954	2.3
87.67039	0.7
87.81052	0.7
94.02940	0.9
95.01388	2.0
96.04594	0.8
98.02481	2.0
100.04049	1.1
110.02473	4.2
111.04522	1.5
113.02462	1.7
117.03487	1.2
122.02470	1.6
123.03275	5.7
123.04516	0.7
134.02534	5.3
135.03267	6.3
135.04272	1.3
136.00389	3.4
138.01974	2.8
138.17999	0.9
139.00414	1.3
151.02788	4.4
155.02303	1.3
156.03011	1.3
156.08270	0.9
157.06619	1.1
161.02473	0.9
164.98325	0.9
165.00705	2.1
166.01443	2.2
167.05011	1.0
169.06607	1.4
171.04514	1.3
177.05646	1.3
180.02995	1.1
183.08104	0.7
184.07782	1.3
190.01721	0.9
192.03029	4.1
194.04639	0.9
197.05905	0.9
200.07190	1.3
220.06134	1.1
221.09799	1.1
224.07303	1.0
225.05644	6.7
226.08792	3.8
227.07117	6.5
228.06627	2.0
237.09216	1.4
239.07190	1.0
242.08246	45.0
243.08545	1.6
249.09052	1.2
250.08693	1.2
252.06720	1.8
255.06715	1.6
265.08643	2.9
268.06131	2.6
269.04456	1.8
269.06943	2.5
270.07727	100.0
271.08212	3.9
290.08212	1.2
294.07770	2.4
298.10834	1.2
308.09149	4.1
326.10364	5.1
380.12888	1.6
382.10803	1.9
384.12357	2.4
398.13971	22.5
399.14465	1.6
440.14963	2.7
450.13330	1.9
468.14389	1.9
522.11743	1.2
561.16559	4.4
579.17810	8.5
580.18066	1.2
597.18750	7.1
598.18945	0.9
623.16504	3.0
641.17773	24.5
642.17694	2.2
669.99341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00351	1.1
65.99830	1.2
68.83851	0.9
68.99806	1.5
69.15076	6.5
77.59228	0.9
82.02986	3.3
85.02971	2.4
92.98530	0.8
98.02480	2.0
100.04060	1.2
107.05058	1.1
109.01711	1.1
109.02980	2.0
110.02489	4.1
111.00909	1.3
111.04527	1.2
113.02461	2.7
120.00943	2.1
122.02489	1.5
123.03242	4.3
124.04100	1.3
129.46027	0.9
134.02492	5.3
135.03267	5.4
135.04462	2.1
135.05565	0.9
136.00395	3.5
136.04152	1.0
137.02368	1.4
138.01961	3.7
139.00407	2.1
148.04045	1.6
151.02818	4.6
151.03864	1.5
152.03668	1.5
156.03053	1.9
156.08217	1.5
157.06587	1.4
163.99930	1.6
165.00661	3.3
166.01463	2.2
169.06639	1.3
171.04466	1.9
173.06163	1.8
175.00262	1.0
178.05115	1.1
180.08170	1.1
181.06647	1.0
184.07715	1.1
187.07466	1.1
190.01483	1.5
192.03029	3.1
194.04561	1.6
196.06239	1.3
200.07233	1.5
205.95439	0.9
208.07671	1.1
224.07222	2.2
225.05609	9.7
226.05937	1.1
226.08691	5.1
228.06612	2.7
237.09262	1.9
242.08257	46.7
243.08568	1.4
249.09203	1.6
250.08791	1.8
252.06624	2.1
253.05197	1.2
255.06641	1.3
265.08597	1.5
268.06146	3.7
269.07001	2.5
270.07733	100.0
271.08051	4.9
292.09821	1.8
294.07745	3.4
308.09320	1.1
326.10379	2.1
380.12674	1.4
382.10751	2.4
384.12433	4.0
398.13989	35.9
399.14386	2.0
400.15463	1.4
440.14914	2.7
450.13052	1.9
468.14371	2.0
509.17404	1.8
523.19043	1.7
561.16498	7.6
579.17755	14.7
597.18634	6.6
623.16437	2.9
624.17572	0.9
641.17773	30.3
642.18237	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	641.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76366	1.3
61.47979	1.3
61.98821	3.3
65.00324	1.6
65.99848	2.9
69.28765	3.4
69.29173	4.3
70.02990	2.9
96.95993	2.1
108.04575	3.4
110.02464	1.9
114.01970	2.6
119.05066	2.8
120.00912	5.0
122.02510	1.9
123.03236	2.2
130.02965	1.9
134.02509	4.3
135.03323	7.1
135.04260	1.5
136.00392	7.2
136.04060	3.3
138.02013	3.2
140.03499	1.9
147.04556	1.8
150.01979	3.7
150.05634	2.5
151.02740	4.3
162.01880	1.4
162.05672	1.7
163.99940	2.6
165.00658	2.4
166.01440	3.0
171.04495	6.4
174.02005	3.8
178.05103	4.5
188.03578	3.0
191.99411	4.0
192.02998	4.2
198.02261	2.1
198.04077	7.8
200.07207	2.0
214.01584	1.6
218.00945	3.9
220.06110	2.1
226.05164	2.2
226.08679	1.6
228.06654	2.5
236.07236	2.1
238.07288	3.7
240.06656	4.0
242.01003	2.6
242.08241	43.2
243.08473	2.0
252.06786	2.1
255.06691	2.8
256.09833	5.2
268.06125	13.4
268.08847	1.9
269.04623	1.6
270.07745	100.0
271.08020	3.9
278.08270	11.5
280.06265	4.2
284.09473	2.6
285.99896	2.8
294.07837	3.6
296.05692	58.2
296.09195	7.5
312.08826	7.3
340.08136	1.7
344.11411	3.5
346.07126	3.2
390.06204	49.7
391.06067	2.6
408.95972	1.4
439.02185	1.6
442.12921	5.3
450.13596	1.9
494.12482	78.9
495.13049	5.3
503.09283	1.6
522.15289	1.8
525.10553	2.0
553.16309	3.5
581.15765	2.5
591.14484	3.5
609.15234	4.9
641.17853	79.8
642.17944	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	641.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
59.01389	11.7
69.35285	4.0
71.01391	15.7
72.99316	3.0
73.02951	2.2
75.00873	3.4
79.95772	2.0
83.01383	1.1
85.02959	11.7
87.00896	1.9
89.02452	6.0
95.01395	4.5
99.00883	1.2
101.02448	3.0
105.03497	0.7
108.02188	2.7
109.02974	3.2
113.02464	28.1
117.03452	0.8
119.03559	0.9
123.04520	3.8
132.02229	1.7
133.02975	29.0
135.04541	23.9
137.02460	27.6
151.00371	1.5
152.01149	2.3
153.01923	2.2
153.05547	1.6
161.02461	100.0
162.02817	2.5
167.03487	6.7
179.03535	4.5
181.05162	1.0
193.03647	3.6
209.04599	1.8
232.36974	0.8
233.04393	0.9
274.45514	0.7
291.61154	0.8
297.06323	1.3
299.01730	0.9
311.07715	2.5
315.10873	1.7
329.13123	0.8
387.09137	0.9
388.10840	0.8
395.37436	0.8
406.02838	0.9
451.12003	1.1
461.10764	0.7
461.16727	17.7
479.12073	2.0
491.14328	1.1
503.17456	0.9
521.12695	0.9
623.19885	79.1
624.19934	5.2
641.17212	15.4
642.17725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
57.03460	1.7
57.10731	1.7
58.32253	1.5
59.01384	100.0
59.60659	1.9
59.81225	1.9
69.03441	3.6
69.61787	5.1
69.62157	3.5
71.01387	59.1
72.99295	2.6
73.02948	24.5
83.01379	6.0
85.02955	18.0
87.00885	14.4
88.98806	2.3
89.02454	62.9
96.96019	8.0
97.02942	4.8
98.22635	3.0
99.00876	4.1
101.02451	43.1
109.02942	2.2
111.00930	2.0
113.02467	20.5
119.03522	9.5
119.05108	1.9
125.02472	15.7
131.03514	31.7
143.03484	6.6
149.04564	37.6
152.01157	1.6
161.04550	10.9
167.03510	3.9
179.05585	7.9
181.05075	1.8
191.05603	14.8
203.05606	2.9
221.06670	8.1
263.07733	5.2
275.07748	2.6
312.05533	1.7
312.49234	1.9
322.18124	1.6
393.17715	16.1
405.17325	3.2
466.50592	1.7
537.21869	33.2
555.22968	82.8
556.23199	3.5
597.24146	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	641.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14817	1.2
51.60251	1.1
55.27265	1.1
56.60244	1.1
59.01387	11.2
61.98824	2.3
62.88459	1.2
69.17329	8.6
76.21033	1.1
80.05054	8.6
92.05077	1.6
94.06635	2.6
98.21930	2.9
104.05086	1.9
106.06625	3.1
107.03756	6.9
113.11304	1.2
116.92866	3.6
119.05070	4.3
120.08197	2.1
121.05342	3.5
122.06140	37.4
132.04565	2.4
134.06137	12.0
135.04503	2.9
148.04112	1.9
152.07191	44.3
160.04031	2.3
160.06450	6.6
174.05618	5.0
190.05222	2.8
195.10283	1.7
211.13606	1.4
213.10350	29.5
223.08777	1.7
225.10374	3.1
226.11157	2.8
237.10300	1.7
239.11943	17.2
241.13516	18.8
245.12971	9.0
248.09059	1.5
251.11826	2.3
265.09799	1.6
285.03973	1.7
285.12479	64.0
293.12894	11.4
295.11072	7.8
313.12085	4.6
313.17838	2.3
316.14914	1.7
323.10471	13.2
325.12039	4.6
328.11008	3.6
330.15594	1.5
332.17706	1.9
340.14542	2.7
342.12509	2.3
343.13205	3.3
344.14066	3.0
355.12885	5.2
356.17743	1.9
357.14771	3.8
358.15628	17.6
368.10199	1.5
369.14633	1.8
370.11923	2.2
384.13531	4.1
385.13983	2.5
400.16693	17.3
412.16739	4.9
497.25903	2.3
523.23669	15.0
537.24786	1.9
553.86719	1.4
565.24622	95.2
566.24982	6.2
568.23212	4.1
609.23560	100.0
610.23920	6.5
641.26215	18.3
641.39404	2.8
642.25653	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	641.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	49.9
61.98849	7.9
115.04024	46.9
117.03490	8.6
117.05587	29.7
119.05060	18.7
119.08665	16.7
121.02982	7.8
135.04532	21.7
144.35176	6.5
163.07684	23.0
173.22032	6.7
178.70415	6.9
229.15810	8.4
229.62180	7.1
252.07782	7.7
255.14047	16.8
271.11902	22.0
273.15018	100.0
311.16925	12.5
325.18365	14.6
347.18527	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	641.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78853	16.7
56.03127	14.8
59.01381	50.7
61.98817	22.0
77.97228	19.5
83.82343	15.7
113.79002	15.4
115.04005	100.0
117.05587	76.1
132.56201	17.9
135.04501	21.4
178.27980	16.6
273.14856	42.1
325.18295	20.9
664.80756	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	641.3914
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
53.13584	1.1
56.67521	1.1
59.01368	4.6
61.98820	4.5
62.55673	1.0
71.01387	2.7
71.43093	1.4
73.02959	1.4
85.02940	1.6
96.96021	1.3
99.92603	1.3
101.02459	2.2
116.92859	8.3
117.03491	3.0
119.05046	5.5
121.06598	3.3
135.04483	6.5
136.05321	48.1
147.08148	2.1
149.06113	8.8
150.06920	7.2
152.07126	1.8
156.72507	1.1
158.92136	1.1
163.07625	2.0
164.08426	2.1
165.09225	53.7
195.10164	6.2
209.11755	6.1
248.22217	1.1
313.23862	23.6
461.32993	9.6
478.33279	3.5
479.33804	44.7
534.99579	1.3
641.39142	100.0
642.39691	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	641.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	1.0
63.61100	0.4
67.05799	0.5
69.03465	3.5
69.09121	0.5
69.65251	1.1
69.65605	1.4
71.83199	0.5
83.05042	0.7
93.03403	0.6
107.08685	1.5
108.05809	1.0
119.05016	0.9
119.08676	4.5
125.09741	3.8
127.11321	1.3
130.71150	0.5
135.04568	0.7
135.08153	1.3
137.09741	21.8
165.08995	3.7
167.10576	1.1
171.10289	31.1
186.60878	0.6
191.06950	1.8
193.08478	100.0
194.08806	1.6
195.52925	0.6
201.11365	4.8
209.07941	1.1
211.13454	1.2
223.09592	6.4
240.79369	0.5
273.18753	0.8
291.19669	2.1
309.20749	25.1
313.17911	0.6
331.18900	8.4
332.18668	0.6
365.18222	0.7
473.24997	0.5
503.28879	0.7
641.40076	12.8
642.39734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77154	2.0
53.15458	2.3
65.00339	6.7
65.99850	4.5
68.99809	7.3
69.06387	2.3
71.40678	3.5
78.08119	2.4
83.01400	6.3
95.01379	4.8
96.00931	2.9
96.96029	2.6
97.02982	3.2
99.00912	3.2
105.00980	2.6
109.01709	2.7
110.02505	4.0
117.03488	2.5
123.00860	5.6
134.02457	3.9
136.00452	14.1
136.04021	2.7
145.06654	2.9
146.02518	2.6
149.02499	3.7
151.02803	4.7
154.99911	3.9
155.19624	2.4
156.04652	2.7
163.99934	7.9
165.00725	9.1
171.04532	22.3
173.06046	5.0
175.99841	2.9
185.06155	5.0
189.00716	2.9
198.05562	4.1
203.07195	9.7
209.06102	2.7
211.07788	3.8
224.07091	5.6
227.07137	9.5
240.06703	9.6
240.11128	2.6
242.08218	20.3
246.04208	3.2
252.06595	4.2
254.05753	2.9
255.06668	4.9
268.06168	44.5
269.04364	5.0
269.06851	8.1
270.07721	40.8
271.08051	8.2
280.06268	4.1
285.11392	7.5
294.07693	9.6
296.05573	6.7
315.09079	3.1
315.84497	2.8
330.11356	8.1
332.09384	13.0
349.09479	10.1
350.10352	66.9
351.10770	3.0
357.10004	4.7
371.09949	2.6
372.12408	100.0
372.17126	4.8
373.12857	5.7
374.10394	13.2
389.12155	2.8
399.14087	5.2
406.12823	7.3
416.11395	11.1
418.09390	3.3
448.14160	9.7
458.49304	2.7
478.16599	51.2
495.12979	3.1
522.15997	22.5
523.12762	5.7
554.18335	15.3
642.16669	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	642.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25805	0.6
59.01390	1.2
59.98851	0.6
65.00330	19.1
70.04218	1.7
79.87556	0.6
81.03452	1.6
83.01408	1.0
84.18158	0.7
92.99813	3.3
95.01401	1.1
96.96028	0.7
96.99313	4.7
98.22684	0.9
109.02945	0.9
110.02510	0.7
111.00900	1.6
119.05099	0.7
120.99331	2.2
124.01678	3.1
126.02010	1.3
127.77464	0.6
131.05060	0.8
136.98808	16.8
137.02545	0.7
138.01927	0.7
139.00360	1.3
141.01950	1.8
141.07167	0.6
143.04976	0.7
148.03995	1.3
149.99521	0.7
152.01137	2.3
153.01993	0.9
153.07095	0.7
154.01512	1.5
164.98311	45.7
165.98680	0.9
166.01352	0.8
168.08435	0.6
169.06668	1.1
171.04568	1.0
173.06091	3.4
177.99078	2.5
178.71208	0.7
197.06140	2.2
199.03984	3.2
204.03117	0.8
213.05644	1.6
218.71281	0.8
225.05556	2.1
227.03481	2.0
241.05064	5.9
242.08110	1.1
243.06668	8.6
248.01985	1.9
253.05049	1.6
269.04578	100.0
270.04877	3.8
270.07709	2.4
271.06021	14.1
287.05646	49.4
288.05890	2.5
296.05527	1.0
324.08694	1.5
326.10284	1.7
333.32593	0.7
352.08310	5.9
354.09879	3.6
370.09277	2.5
436.59933	0.7
448.10553	0.7
518.11035	4.0
541.11627	0.9
582.06708	0.8
596.75531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29149	2.1
61.98839	40.5
62.60838	2.0
65.00320	5.0
65.90678	2.3
65.99866	3.2
67.54424	1.9
69.75655	7.5
75.73951	1.9
95.01388	3.8
109.01672	2.2
111.00887	14.1
117.03512	3.1
119.04999	3.7
123.00919	3.1
134.02473	3.0
136.00424	5.0
139.00424	14.5
140.01170	10.3
141.07170	3.4
145.06612	4.2
156.08116	2.4
157.06543	2.5
159.03218	3.7
165.00664	9.5
169.06590	12.7
171.04507	6.6
173.06102	6.5
187.02736	5.1
189.37723	2.2
197.06039	6.3
199.49841	2.3
200.03427	3.1
208.07666	2.4
213.05702	4.4
215.07095	3.3
225.05611	14.1
234.09245	3.2
236.07155	3.2
240.06490	4.1
241.05099	3.8
242.08212	20.3
250.08780	2.5
252.04301	27.9
252.06641	5.0
253.05045	16.6
254.08342	3.0
255.06725	5.1
262.08676	3.8
268.06244	7.6
269.06961	6.4
270.07733	47.7
271.08252	4.2
278.05130	1.9
278.08240	8.8
280.06110	5.0
281.06989	6.1
291.08932	6.3
296.05753	6.3
305.22226	2.0
306.07651	4.2
340.13501	3.4
344.10617	2.8
346.07199	3.8
351.20590	2.2
362.12036	2.1
380.13144	3.4
382.10956	3.4
382.14514	18.3
404.13342	2.1
405.34131	2.6
408.12180	3.0
434.14432	2.8
436.11877	2.5
450.13559	88.8
451.13809	5.0
454.13260	13.3
478.12979	16.3
479.13556	3.3
522.11987	100.0
523.12701	53.4
524.13434	4.9
536.18793	3.7
538.16681	11.9
552.18048	13.0
556.17633	5.5
562.16583	7.1
580.17584	9.9
592.05334	2.4
598.18463	5.3
624.16614	18.1
625.17169	3.1
642.17902	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	642.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55918	1.8
59.01384	2.2
61.98818	5.4
69.20823	5.9
69.21243	5.9
71.01386	2.8
77.36719	1.8
78.82194	1.7
95.85940	1.6
96.96036	2.6
97.02960	16.1
98.21924	4.1
99.00883	8.6
101.02436	2.0
117.03444	2.2
119.05011	8.4
121.02042	2.4
121.02969	95.9
122.02499	100.0
125.02433	3.5
135.04518	7.5
162.05557	3.2
166.02890	1.8
197.11868	2.1
277.05402	4.1
284.03186	3.1
588.22754	3.5
598.99872	2.0
606.23352	7.4
642.21112	21.2
643.22723	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	642.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.0
61.98833	21.4
63.76670	0.5
78.99076	0.4
93.03442	0.4
96.96008	0.5
119.05069	1.6
251.92329	0.5
272.14209	3.2
285.14905	0.7
287.16489	1.7
299.16577	0.7
301.18112	19.1
302.18640	1.1
313.18130	9.8
314.18381	0.7
329.17636	1.8
330.18387	0.8
331.19162	100.0
332.19522	5.5
535.25519	62.5
535.34131	0.5
536.25745	4.6
643.30438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50184	6.5
69.50591	3.7
82.95421	20.4
84.00921	100.0
84.90638	2.0
84.95124	5.3
98.21947	3.3
117.23201	2.2
119.04993	5.4
122.02502	23.5
136.78336	2.4
179.79039	2.3
210.69484	2.3
211.13399	4.6
212.13812	2.7
215.00087	2.3
233.11711	3.4
270.85107	2.3
327.21829	3.3
356.54999	2.9
482.56189	2.2
567.47382	2.7
601.74237	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	642.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68927	0.4
61.98837	100.0
65.00342	0.7
65.99891	0.4
68.99824	0.4
69.87997	0.5
69.88348	1.3
78.51615	0.4
82.02979	0.4
111.00930	1.6
118.92194	0.4
124.50793	0.4
133.44310	0.4
136.86360	0.4
138.53072	0.4
139.00418	1.2
140.01265	0.5
143.05028	0.5
154.77687	0.4
165.00705	0.8
165.28442	0.4
169.06657	0.9
171.04539	0.9
177.84251	0.4
197.06116	0.5
213.05681	0.6
214.92769	0.4
224.07333	0.5
225.05699	0.8
236.06976	0.5
242.08205	2.2
252.04399	2.0
253.05081	1.2
268.06149	1.0
269.07074	0.5
269.81891	0.5
270.07770	5.3
271.05853	0.6
278.08270	1.0
280.06482	0.5
281.07040	0.5
291.09024	0.6
296.05719	0.8
382.14673	1.8
450.13464	6.7
451.13892	0.6
454.13129	0.7
467.51212	0.6
478.13266	0.7
495.12827	0.6
522.11908	7.8
523.12689	4.2
538.16827	1.2
552.18408	1.4
556.17920	0.6
562.16571	0.9
580.18005	1.2
598.18604	0.9
624.17023	1.6
642.17963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	2.1
65.22743	0.3
67.01898	0.4
68.99802	0.4
71.01406	0.4
80.94283	0.3
82.00581	0.3
83.01391	0.5
94.41120	0.3
95.01409	1.7
99.00861	0.4
107.01348	0.4
109.02977	0.5
110.00098	2.2
111.00895	11.7
121.02950	1.3
123.00886	1.6
125.02431	1.0
133.02966	0.5
134.03741	1.3
135.04535	4.1
136.98796	1.6
137.02493	0.5
139.00389	14.0
140.00661	0.3
141.01991	0.4
145.02959	0.4
149.02428	0.9
151.00375	2.2
153.05580	0.4
159.04529	0.9
161.02457	1.3
163.00470	0.4
164.98306	1.4
165.01894	0.8
165.99091	1.3
166.99855	3.2
171.04480	0.5
173.05978	0.4
175.04030	0.5
177.01935	1.1
178.99863	0.9
183.04547	0.7
185.02481	0.5
185.06154	0.4
187.04008	1.2
189.05544	0.9
192.00635	1.3
193.01445	1.0
195.04517	0.6
197.04492	0.5
201.02017	0.4
201.05614	1.0
211.04015	1.6
213.01895	0.6
213.05466	0.4
214.02777	0.5
215.03520	1.0
227.03537	0.7
229.04988	1.1
239.03558	2.3
241.01445	0.7
241.05266	0.4
255.03001	1.6
257.04684	0.7
258.01813	0.5
259.02518	0.5
269.04565	0.5
273.04010	0.4
283.02505	1.2
299.02075	0.5
300.02789	2.6
301.03546	100.0
302.03903	5.1
316.62598	0.3
397.30844	0.4
421.29272	0.4
445.07916	0.8
463.09177	0.4
543.70239	0.3
560.40442	0.3
643.13055	7.1
644.13159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.8
59.01387	19.0
59.15993	0.8
66.43913	0.8
69.22693	4.5
71.01393	17.6
73.02974	0.9
77.22946	0.8
79.00801	0.7
83.01414	0.8
85.02959	13.7
86.35341	0.8
87.00904	3.0
89.02457	12.2
89.09338	0.7
90.75340	0.7
95.01405	4.8
101.02439	4.3
110.51752	0.8
113.02466	33.3
113.27809	0.8
113.61395	0.8
114.02804	1.0
119.03503	2.9
131.03546	4.8
134.03761	2.1
149.04570	1.4
149.06137	1.5
161.04608	4.3
186.68726	0.9
191.05699	2.1
233.06731	1.0
329.12552	1.0
400.77261	0.8
475.18283	5.9
607.22504	100.0
608.22998	6.8
662.33856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2406
Annotation	Buddlenol D
Peak:m/z	Relative Intensity
53.79140	0.5
54.16044	0.5
59.01384	3.0
59.57621	0.6
61.98830	2.0
64.24555	0.5
65.00330	12.2
68.16916	0.6
69.22012	2.9
96.96057	0.7
101.02438	0.6
108.02175	0.8
108.99284	0.6
110.00076	0.7
111.00864	0.7
117.03475	2.9
119.01350	0.9
119.05031	2.1
133.02960	0.8
135.04550	2.1
136.98817	19.7
137.02448	1.4
139.00380	1.2
145.05272	0.6
149.99579	2.0
156.05771	1.4
158.03683	0.7
159.04550	0.9
163.00348	0.6
164.01147	1.8
164.98367	1.4
165.01779	0.8
165.99097	1.6
166.00922	0.6
166.99963	0.9
172.05350	0.6
183.04532	2.2
184.05330	2.0
185.02509	0.8
186.03264	3.0
187.04022	1.3
197.11835	0.8
198.12265	0.6
199.04039	1.4
200.04811	4.3
209.11815	1.1
211.04030	3.6
212.04781	5.3
213.05629	0.7
214.02664	0.7
227.03484	5.1
228.04276	4.2
239.03531	2.4
240.04233	0.8
255.03024	2.3
256.03833	2.6
257.04581	0.8
267.02963	0.9
283.02502	6.9
284.03290	100.0
285.04037	32.6
286.04333	1.5
418.06360	1.0
466.62097	0.6
488.33154	0.6
611.23193	1.1
643.24005	92.8
644.24530	8.1
644.35120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34225	1.2
55.01865	2.6
57.03447	1.9
59.01388	57.2
61.98835	2.0
64.10159	1.1
69.03466	1.2
69.27214	6.5
71.01393	40.8
71.01794	2.0
72.99322	2.0
73.02953	17.9
75.00875	1.7
78.95907	2.0
79.95753	4.0
81.03467	1.5
83.01398	7.9
84.07810	1.4
85.02971	16.0
87.00901	3.2
89.02457	24.5
94.10999	1.2
95.01376	2.4
97.02956	4.4
98.21910	2.6
99.00885	5.0
101.02457	28.0
111.00906	2.6
113.02468	16.3
117.20995	1.3
119.03517	3.0
119.05032	3.0
121.02911	1.3
125.02460	13.1
129.01965	1.7
131.03516	12.2
143.03506	4.4
149.04562	4.5
159.02936	1.4
161.04558	7.1
164.98299	1.3
168.88876	1.1
179.05611	1.7
191.05959	1.3
191.07471	7.8
196.95642	1.9
207.01184	1.6
208.91202	1.2
221.06642	1.5
222.47423	1.3
263.15057	18.1
285.04022	2.7
317.01279	2.7
318.02179	3.6
339.42523	1.3
395.19275	31.6
407.19293	5.3
425.20117	2.4
539.23529	41.7
540.23877	2.9
546.09821	5.1
557.24567	100.0
558.24817	5.5
599.25586	19.4
600.26001	1.8
643.15631	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	643.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59737	1.2
52.76383	1.2
59.01383	4.0
61.98814	2.5
69.07594	8.6
71.01378	2.1
74.26743	1.2
80.05063	2.4
88.18494	1.1
94.06628	5.2
96.95976	1.7
98.21890	2.6
105.05847	2.2
106.06647	2.2
107.03780	10.9
113.02499	1.7
114.46872	1.2
117.03476	3.3
119.05041	5.5
120.08205	20.9
122.06136	68.8
123.06455	1.3
124.07693	2.1
132.04530	3.9
134.06116	9.3
135.04515	5.2
135.06885	2.2
136.07693	2.0
142.01563	1.5
148.03995	1.6
149.02489	2.7
150.05612	1.7
152.07195	74.4
153.07529	2.2
160.04085	2.3
161.02440	2.7
164.04784	1.9
164.07114	1.7
174.05585	1.3
190.05060	3.3
197.02808	3.5
197.11798	4.1
198.03474	1.8
200.07320	1.3
209.11827	4.8
223.06120	5.0
223.08772	7.2
224.09538	4.2
225.10190	2.2
235.12465	2.5
236.09438	2.0
237.10326	11.5
238.11082	4.4
239.11917	10.8
241.13678	1.8
245.12938	4.9
249.06715	2.8
249.10416	2.8
251.08281	3.6
251.11925	4.4
253.13359	1.5
263.08163	4.3
263.11905	1.2
264.09076	9.6
265.09927	7.1
267.11331	1.9
277.09827	4.8
278.10730	3.1
279.11459	28.9
280.11966	4.4
287.13934	1.4
291.11328	6.9
292.12076	2.9
293.13016	2.1
295.10825	3.9
313.11768	2.0
313.14813	16.7
323.10339	8.8
324.11078	3.5
325.11914	2.1
355.13055	2.1
360.17059	1.7
374.00455	1.4
376.20627	1.6
388.16580	2.7
402.18365	10.7
403.18869	2.2
404.19843	1.8
414.17889	2.1
417.20590	2.7
444.19498	12.1
445.19861	3.5
446.17224	2.0
448.18729	5.3
461.19598	2.3
488.18298	15.1
489.19128	15.7
490.20181	1.8
520.21051	18.8
521.21545	5.1
525.26044	2.0
567.26215	35.8
568.26440	4.8
571.97748	1.4
593.23853	1.6
611.25159	100.0
612.25543	11.2
640.84265	1.4
643.27728	31.2
644.27686	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	643.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87353	2.2
54.63248	2.0
57.34742	1.8
58.60279	1.9
59.01390	25.6
69.03465	2.5
71.01391	19.3
71.40608	2.5
73.02943	5.7
78.95902	2.6
83.05060	4.6
85.02944	5.5
87.00888	2.1
88.45240	2.1
89.02480	15.1
96.96023	4.6
101.02441	15.2
110.94103	10.5
112.93832	3.5
113.02469	9.5
117.03427	2.9
119.03524	5.8
125.02469	5.8
125.09655	2.5
127.11339	4.6
135.04482	5.8
143.03493	3.6
153.01830	3.0
155.10803	3.2
161.04518	5.0
163.11296	5.0
165.05545	2.8
165.09134	2.8
165.12814	3.0
168.94656	2.5
170.37675	2.3
179.05643	6.3
201.11349	95.3
204.92403	18.0
206.92006	7.6
209.11845	100.0
227.12865	21.0
235.08330	6.5
251.63652	2.5
305.08795	2.8
397.13531	54.3
415.14636	48.2
481.13388	5.2
486.28192	2.2
591.40271	2.7
599.25879	11.1
643.31122	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	643.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19809	1.7
55.01865	2.7
55.51892	1.4
57.03456	2.5
57.25937	1.3
59.01384	72.3
61.98817	2.5
70.06300	1.4
70.06606	3.1
71.01389	53.5
72.99281	1.7
73.02949	11.2
83.01406	5.7
85.02956	26.7
86.16750	1.3
87.00902	2.6
88.98846	2.4
89.02457	45.5
90.02818	1.3
95.01395	2.4
96.95991	1.7
97.02963	3.6
98.02495	2.9
99.00896	3.7
101.02454	33.4
108.04562	2.1
111.00893	3.1
113.02459	18.4
114.44920	1.6
119.03516	5.6
119.05034	2.1
124.01723	2.6
125.02471	7.3
127.11310	4.7
131.03496	8.2
137.02426	2.5
143.03508	5.1
149.04564	6.6
152.03539	2.0
153.01921	1.4
159.03003	1.8
161.04567	13.5
179.05614	4.4
196.02493	7.8
205.05190	1.5
235.06322	1.6
247.51897	1.5
286.09537	1.9
289.16516	4.2
421.20819	60.9
422.21469	3.7
433.20755	12.7
583.26123	100.0
584.26196	6.0
593.06732	1.7
595.92004	1.7
613.21753	2.3
625.28247	1.9
626.26196	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	643.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26786	25.4
61.98845	29.5
64.40456	24.1
69.97416	21.5
70.33018	59.6
71.89622	23.5
74.02507	23.9
86.00829	25.7
99.73632	22.8
117.05602	29.4
122.02516	100.0
133.90501	26.0
135.87625	25.3
137.35382	26.6
150.11598	25.6
186.35103	28.7
214.61784	26.7
229.88268	25.2
305.85855	30.6
325.14044	25.9
422.58450	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	643.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04140	2.4
55.13499	2.0
57.67689	2.1
59.01385	100.0
61.98829	5.3
69.03468	2.9
71.01385	26.5
71.43752	2.2
72.50645	2.1
73.02962	10.0
83.01414	5.0
85.02946	13.3
87.00842	2.6
89.02460	5.8
95.01392	3.6
96.96036	10.2
97.02930	3.2
98.02519	2.1
99.00889	3.7
101.02448	13.4
109.03013	2.1
110.94231	2.1
113.02454	11.5
117.03433	2.8
119.05046	5.8
120.05366	2.3
121.06588	2.4
123.11353	1.9
125.02557	2.0
135.04529	6.6
143.03490	6.1
151.05501	2.1
152.03540	4.0
161.04555	16.6
183.85220	2.2
196.02589	10.8
257.12979	4.9
301.11893	6.2
303.47559	2.3
353.23346	4.8
387.67236	2.3
395.24240	3.8
415.08337	3.5
461.64352	2.2
539.28778	52.5
540.28967	4.1
557.29852	14.6
558.29480	3.0
571.31030	3.0
599.31250	3.9
643.27612	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	644.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25021	1.6
53.99816	1.6
57.35260	1.9
59.01373	5.8
61.98827	3.3
62.71796	1.4
63.74335	1.7
65.00317	7.6
69.88240	3.8
69.88567	3.6
71.01392	2.5
73.02943	3.0
81.03468	5.0
96.00919	2.3
96.96020	3.8
107.01381	3.7
109.02957	11.8
110.02501	3.5
111.00849	3.5
112.00374	2.2
113.02471	2.1
117.03478	2.1
118.26791	1.6
119.05019	1.8
121.02930	3.4
123.04501	1.6
124.00386	5.8
125.01173	3.2
125.02478	4.3
126.01929	2.1
127.00429	8.1
131.05038	2.3
135.04570	3.5
135.49135	1.7
137.02420	3.3
139.00386	2.0
147.04529	2.8
149.02429	5.8
151.00342	11.5
151.99902	2.4
152.01111	3.8
152.03535	8.1
153.01958	3.3
154.01482	3.4
154.99883	100.0
156.00372	3.0
161.02405	5.4
161.06071	7.2
163.00360	2.9
164.03513	2.7
164.04779	2.4
164.98264	4.0
166.99850	1.8
167.03439	3.1
169.01405	3.7
175.03955	2.0
176.03542	2.6
177.01903	2.9
178.01564	2.2
178.99858	21.3
179.99388	7.2
181.00143	4.7
182.00999	8.0
187.03960	3.4
190.01398	1.6
192.03107	2.3
203.03462	2.0
204.03105	3.2
205.01431	2.6
209.04529	2.2
213.14651	1.6
220.02547	2.9
223.05995	2.3
224.06508	2.0
225.09135	1.9
234.03847	2.3
241.05034	2.7
244.02560	4.5
246.04156	2.4
251.06961	2.6
253.08586	4.1
260.01910	2.5
261.02731	2.4
264.01700	1.8
269.04398	4.4
270.11676	1.6
274.03525	2.0
279.06662	4.8
285.03955	1.7
288.01474	2.2
290.03146	6.8
296.09338	2.5
299.05743	2.0
301.23563	1.8
306.02609	18.9
307.03229	2.4
315.08939	1.7
334.02014	5.4
340.08255	47.4
341.08527	3.3
421.07764	3.3
422.08902	2.3
434.08707	2.0
439.08801	8.5
467.08423	1.9
468.09427	1.9
477.06534	2.5
478.07950	9.5
495.07996	24.4
496.08926	28.1
497.08896	2.7
644.13965	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	644.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23911	0.9
59.01386	48.4
61.98837	100.0
71.01402	11.5
73.02946	5.6
76.85738	1.0
83.01379	3.5
85.02955	7.0
89.02463	4.4
95.01373	1.3
96.96024	6.2
97.03014	2.2
98.21906	3.8
101.02470	6.9
113.02478	8.1
138.69800	1.0
181.83350	1.2
333.20743	9.9
477.24976	65.6
478.25519	5.7
495.25925	9.0
537.27094	46.9
538.27411	3.8
543.89551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30026	1.3
59.12606	1.1
61.98834	100.0
69.94617	4.6
74.44721	1.2
110.90892	1.2
112.90257	1.4
116.92862	5.5
129.00354	1.1
129.82423	1.1
291.50385	1.1
661.07928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
69.03436	0.9
69.18555	2.5
71.01347	0.6
71.62234	0.4
77.03984	1.1
78.95907	1.8
83.01380	0.7
88.98817	1.6
93.03455	1.0
95.01382	1.1
97.02977	3.0
98.21828	0.9
109.02959	0.5
120.02209	1.7
121.02174	0.6
121.02987	6.2
135.00900	7.6
137.02464	20.6
149.02411	0.9
163.00398	10.6
164.01173	14.3
164.02576	0.8
165.01945	49.9
166.02307	1.5
170.99860	2.5
179.03531	0.6
190.99881	31.1
191.03569	0.9
192.00641	19.4
193.01430	100.0
194.01755	2.4
207.03004	1.1
235.02393	0.5
246.97101	0.9
337.05527	0.8
355.06927	0.9
396.06897	4.1
397.07779	82.5
398.08118	3.7
439.08911	1.3
567.90875	0.6
601.14362	9.1
601.24213	1.1
602.14441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75790	3.2
65.00332	10.9
67.03041	3.7
68.99809	5.8
69.13183	22.9
81.61340	3.0
83.01366	3.2
94.31069	3.6
101.02446	3.4
108.02190	3.6
110.00092	5.7
111.00899	6.0
116.92909	3.4
119.03355	3.5
123.04547	6.6
132.03333	3.6
135.03339	3.5
136.98796	6.7
141.07198	3.4
157.06569	4.4
164.98264	3.2
167.03555	15.2
169.06512	4.7
171.04517	9.8
173.06084	7.2
185.03603	4.7
199.07697	3.4
217.07600	3.9
221.65497	3.5
222.04349	8.8
225.03319	3.1
225.05559	7.4
229.17706	3.2
235.05106	5.0
237.03061	14.4
238.03839	5.5
241.05089	6.9
242.08308	8.7
243.09023	9.1
251.04495	4.5
259.08743	5.6
263.04755	5.3
263.07831	4.0
264.05560	3.9
265.02530	4.1
266.03473	3.4
268.06183	3.8
269.04581	11.0
270.05103	4.4
270.07693	20.8
271.05774	4.2
271.08386	12.0
272.09647	14.0
272.68115	3.2
275.04892	3.9
279.04080	9.0
284.09229	7.5
285.06738	3.7
287.05017	4.6
287.08200	11.6
288.08914	4.9
296.05630	4.6
297.06000	4.9
300.08670	4.0
303.04065	6.2
305.05756	4.4
311.08063	5.9
313.06543	6.1
313.09766	7.9
314.06747	5.7
315.07785	19.5
316.08646	19.1
316.61612	3.4
317.09216	4.6
320.09286	4.2
323.08044	6.2
325.09882	6.2
336.08798	4.7
337.09778	8.4
340.08511	4.8
341.09311	14.8
342.09982	6.4
343.07187	11.0
344.07721	3.9
349.10080	3.9
353.08923	5.0
354.09982	4.4
360.07510	8.7
365.09354	10.3
366.10303	4.2
367.07028	4.3
368.07813	6.5
369.08893	17.8
370.09555	5.6
371.06763	5.2
375.02701	10.4
375.09891	9.0
376.11957	13.2
377.12442	26.1
379.09918	4.2
381.08862	5.2
383.10580	8.7
393.08524	8.8
397.08240	7.1
399.06119	14.3
407.10123	6.6
409.08035	7.2
410.08856	8.6
411.09848	9.0
419.08960	11.0
421.11435	4.6
429.10904	10.8
431.08813	58.2
437.07559	8.4
438.08527	9.8
465.07324	4.4
473.09927	13.9
479.08878	14.5
495.08224	6.7
497.10007	8.6
500.13974	6.0
514.15308	13.4
524.13715	5.6
525.14746	5.1
540.12994	4.3
541.14288	10.4
542.15179	25.4
568.12335	17.7
569.13605	13.5
586.13983	4.8
601.16058	37.3
603.13843	7.5
627.14063	27.9
645.15247	100.0
645.26593	4.7
646.15271	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	645.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.9
65.00326	1.8
75.46766	1.0
77.05004	0.9
95.01377	1.3
96.99309	1.0
111.00894	4.2
123.00864	1.3
124.01647	8.8
136.01677	1.7
136.98836	2.9
139.00436	3.2
139.96257	1.0
149.93805	1.0
152.01199	6.3
157.06606	1.1
166.99873	2.4
173.06087	2.1
181.06532	1.3
225.05573	5.9
227.07243	1.5
241.05034	1.6
243.04251	2.1
243.06633	27.4
253.05161	5.4
269.04382	1.4
270.07883	1.3
271.06140	100.0
272.06479	2.2
325.51999	1.1
345.11435	1.8
373.10849	24.9
645.17889	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	645.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89928	0.4
57.03426	0.5
59.01387	4.7
61.98832	0.8
69.67762	1.7
98.21970	1.0
108.04573	0.7
119.05037	0.7
120.04580	2.9
121.05383	2.4
122.02483	4.1
122.06144	6.4
134.06119	1.9
135.06926	1.1
136.07698	11.9
144.04567	1.6
145.05347	0.5
146.05994	0.6
161.07204	0.6
162.05615	0.6
171.11790	2.2
172.07799	0.6
186.09167	0.7
198.09235	2.0
199.10060	1.6
203.05844	2.2
214.07460	0.6
214.12389	11.9
226.07433	0.9
227.08273	3.1
228.09035	0.6
229.09775	5.4
230.11868	4.4
241.09839	7.3
242.10626	17.7
243.10933	0.7
257.12982	86.0
258.13272	3.5
264.09015	1.0
279.11328	0.9
292.08521	0.8
300.11380	0.8
301.11957	100.0
302.12271	5.4
307.10883	3.8
308.11377	0.6
325.12006	0.9
343.13089	4.5
350.09393	0.9
351.09888	2.0
383.12595	1.9
398.41867	0.5
399.08984	0.7
490.15961	1.1
523.19531	3.6
573.24066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75187	0.6
59.01386	6.6
68.19366	0.7
71.01370	1.0
78.50767	0.7
87.71893	0.6
89.02435	1.0
89.77507	0.6
90.18298	0.7
95.05024	0.8
108.04585	1.2
113.02495	0.9
119.05041	1.0
120.04575	1.8
121.05363	2.5
122.02489	1.8
122.06165	5.2
134.06120	2.7
135.06876	1.2
136.07697	11.3
144.04572	2.1
159.76344	0.7
161.07164	0.8
171.11755	3.2
196.02513	0.8
198.09274	1.8
199.09958	1.4
203.05917	2.5
204.06709	0.8
214.07556	0.8
214.12372	9.6
227.08324	2.5
228.09041	1.0
229.09807	4.5
230.09828	0.8
230.11867	3.8
241.09856	6.3
242.10617	16.6
256.12238	0.8
257.12982	82.2
258.13318	3.2
301.11963	100.0
302.12317	4.3
325.26749	0.7
343.12936	4.4
645.26086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	31.9
61.98831	6.9
69.63792	4.1
71.01382	6.6
72.99323	2.3
73.02956	2.8
82.47180	1.5
82.95418	2.8
83.01405	3.4
85.02969	4.5
89.02464	4.3
93.03477	2.0
96.96026	4.2
98.22701	1.6
101.02458	4.3
107.05106	1.6
108.04559	5.4
113.02458	6.9
116.92872	4.3
117.03450	2.0
119.05028	4.9
120.04552	3.2
121.05315	2.8
122.02500	1.6
122.06139	13.7
123.04513	2.3
133.02934	1.8
134.06139	5.9
135.04527	6.9
136.07680	14.3
138.05620	1.6
144.04523	1.8
145.03014	1.8
148.07726	1.8
161.04576	2.2
167.03529	6.7
171.11728	2.9
180.06705	7.4
183.79878	1.8
188.07246	3.1
196.02527	3.8
197.02863	3.5
199.09993	2.5
201.10376	6.3
214.12329	9.8
226.07657	1.7
227.08229	4.1
229.09784	5.2
230.11803	3.1
239.11777	1.6
241.09874	8.8
242.10657	15.8
257.12976	87.2
258.13260	4.2
277.09854	2.3
279.11847	2.2
285.12543	1.6
291.11313	1.9
292.12216	3.7
300.11331	1.8
301.11960	100.0
302.12177	6.0
332.14136	4.2
343.13000	3.7
379.08746	5.0
400.85574	1.6
416.16144	4.5
441.21317	1.6
446.17261	28.7
447.17493	4.7
449.16205	2.0
458.17108	4.2
490.15735	11.9
522.18866	27.2
523.19580	2.0
543.28345	2.2
561.29095	2.7
569.24194	3.0
613.10559	3.0
613.22638	3.1
645.29352	11.0
646.27618	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	31.9
61.98831	6.9
69.63792	4.1
71.01382	6.6
72.99323	2.3
73.02956	2.8
82.47180	1.5
82.95418	2.8
83.01405	3.4
85.02969	4.5
89.02464	4.3
93.03477	2.0
96.96026	4.2
98.22701	1.6
101.02458	4.3
107.05106	1.6
108.04559	5.4
113.02458	6.9
116.92872	4.3
117.03450	2.0
119.05028	4.9
120.04552	3.2
121.05315	2.8
122.02500	1.6
122.06139	13.7
123.04513	2.3
133.02934	1.8
134.06139	5.9
135.04527	6.9
136.07680	14.3
138.05620	1.6
144.04523	1.8
145.03014	1.8
148.07726	1.8
161.04576	2.2
167.03529	6.7
171.11728	2.9
180.06705	7.4
183.79878	1.8
188.07246	3.1
196.02527	3.8
197.02863	3.5
199.09993	2.5
201.10376	6.3
214.12329	9.8
226.07657	1.7
227.08229	4.1
229.09784	5.2
230.11803	3.1
239.11777	1.6
241.09874	8.8
242.10657	15.8
257.12976	87.2
258.13260	4.2
277.09854	2.3
279.11847	2.2
285.12543	1.6
291.11313	1.9
292.12216	3.7
300.11331	1.8
301.11960	100.0
302.12177	6.0
332.14136	4.2
343.13000	3.7
379.08746	5.0
400.85574	1.6
416.16144	4.5
441.21317	1.6
446.17261	28.7
447.17493	4.7
449.16205	2.0
458.17108	4.2
490.15735	11.9
522.18866	27.2
523.19580	2.0
543.28345	2.2
561.29095	2.7
569.24194	3.0
613.10559	3.0
613.22638	3.1
645.29352	11.0
646.27618	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.9
62.95036	1.3
65.00310	1.4
68.65482	1.5
71.42499	1.8
83.01395	1.8
89.02447	1.7
119.05026	6.1
121.31377	1.5
122.06138	6.8
134.06152	2.6
135.04552	3.2
136.07726	11.1
165.62505	1.6
171.11815	3.2
198.09370	1.6
199.09879	2.3
201.11394	1.7
209.11732	2.6
214.12383	12.8
227.08272	1.8
229.09773	4.7
230.11920	3.7
241.09778	8.7
242.10608	14.4
256.12109	1.8
257.12982	79.6
258.13260	3.6
301.11966	100.0
302.12372	4.4
343.12827	2.7
431.18280	1.9
443.58633	1.5
482.56894	1.6
491.17401	2.2
501.12314	1.7
523.19470	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	645.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63494	0.6
57.01820	0.5
57.03442	0.8
59.01381	7.2
61.98831	6.8
65.00323	1.6
67.01893	0.9
71.01386	4.6
73.02957	1.2
81.03458	1.4
82.95413	0.8
83.01411	0.5
85.02964	2.2
89.02457	1.0
91.01896	9.8
93.03488	0.7
95.01418	1.3
96.96053	0.7
97.02976	2.0
101.02443	2.3
107.01406	2.2
108.02177	10.7
109.02956	2.6
111.00901	2.3
113.02452	1.2
119.05035	1.6
122.03761	0.5
123.00958	1.1
123.04539	35.5
124.01623	0.9
125.02452	1.8
125.03384	0.5
134.02158	0.6
151.00375	2.4
152.01154	8.2
153.01953	4.1
158.42067	0.5
161.79018	0.5
166.02707	2.6
167.03513	78.2
168.03886	1.3
181.05083	1.5
194.02190	1.0
195.03008	2.2
196.02521	1.6
209.04565	8.8
246.95441	0.6
251.38498	0.6
255.05237	1.5
257.12836	0.7
269.06686	1.8
275.16235	0.5
301.11856	0.6
303.19656	1.9
304.19955	2.1
315.19904	1.4
316.19977	1.7
333.20688	8.7
334.21103	13.1
379.08691	0.7
414.09177	0.5
416.16034	1.0
446.17404	3.5
447.17096	0.6
448.56326	0.6
490.16220	0.8
505.21222	0.8
522.19092	3.6
537.27325	1.1
538.27563	11.7
645.29218	100.0
646.29364	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	646.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80759	2.2
59.01384	2.6
64.01894	2.3
65.00323	2.9
65.99851	13.0
68.99812	1.9
72.67068	1.9
75.53809	2.1
77.64661	2.0
81.92133	1.8
96.00925	2.2
110.02478	3.5
111.00906	2.7
115.18642	1.9
123.03292	4.5
131.02544	4.5
134.02495	5.5
135.03268	6.4
136.00432	5.5
138.02011	2.3
151.02756	6.6
161.03574	4.9
163.99971	2.7
171.01920	3.7
171.04527	6.8
174.04390	2.4
175.99896	7.0
189.03169	2.1
199.01508	15.8
202.03682	2.1
213.05634	3.8
226.03510	3.1
226.08833	3.8
227.01001	27.9
242.08246	48.7
245.08176	3.4
245.41953	2.4
268.06265	3.9
270.07724	97.2
271.08145	2.8
275.44894	2.1
280.03326	3.2
280.06091	19.0
293.09222	2.8
303.07761	6.1
321.08978	11.2
331.07236	100.0
332.07602	3.5
566.10992	3.0
584.14825	4.4
602.15765	9.0
614.15387	3.4
646.07581	2.1
646.17590	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	646.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37825	1.7
56.76513	1.9
61.98833	3.9
65.56745	1.7
70.19263	3.4
70.19634	3.9
70.69239	1.7
99.92599	13.5
116.92878	100.0
117.01987	2.7
117.03476	1.9
117.92881	2.7
119.05010	4.1
135.04562	5.3
181.19751	2.3
183.23637	1.9
346.11945	2.2
346.24603	2.3
352.11145	2.2
452.71069	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	646.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27927	3.0
65.00330	36.4
65.99857	3.1
68.99815	9.9
69.54266	12.7
78.99558	2.6
92.99818	3.5
95.01408	3.7
118.23526	2.7
119.17278	2.6
123.00855	3.1
136.00383	9.7
136.98814	39.4
145.06522	3.7
151.00348	3.7
152.01147	8.8
157.06596	4.7
163.99904	4.9
164.98308	2.7
165.00723	5.7
171.04561	5.4
173.06091	54.9
183.04568	4.8
185.90366	2.8
197.06084	28.3
199.03973	4.7
213.05624	3.8
213.49249	2.6
225.05568	4.6
227.07159	4.8
240.06558	4.9
241.05083	59.3
242.08209	11.0
253.05046	12.4
255.02995	3.9
255.06581	15.4
268.06146	30.2
269.04538	33.2
269.06952	3.9
270.07712	30.9
271.06125	100.0
280.06097	4.3
296.05554	12.6
303.07632	2.9
305.02481	2.7
322.07162	7.7
359.09329	4.3
374.10413	6.5
375.08490	6.2
404.11237	20.4
457.54660	3.3
502.04315	3.0
502.57590	4.1
600.16406	3.4
615.83881	3.2
646.17303	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	646.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52465	0.2
51.15188	0.2
59.01387	1.5
61.98836	100.0
63.25159	0.2
69.55967	0.2
71.01400	0.6
71.43817	0.2
73.02963	0.2
77.99523	0.2
78.95944	0.2
82.03008	0.4
83.01403	0.3
86.02475	0.3
86.83729	0.2
89.02477	0.4
96.96036	0.7
98.02516	0.2
101.02449	0.5
108.04578	0.3
138.23315	0.2
140.37059	0.2
152.03566	0.6
161.02457	0.3
168.03090	0.3
182.67278	0.2
196.02509	1.5
241.36487	0.2
290.22031	0.2
344.31287	0.2
586.27368	0.8
602.26318	0.4
606.08313	0.3
646.29108	0.3
647.33014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98836	100.0
71.01383	0.3
82.03018	0.3
85.02955	0.2
89.02458	0.2
92.46829	0.2
98.02492	0.3
99.57104	0.2
101.02431	0.2
114.90497	0.2
135.04546	0.3
152.03600	0.3
196.02586	0.8
274.23840	0.2
586.27014	1.1
586.51868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99214	2.1
53.27692	2.3
59.01386	100.0
61.98834	26.6
71.01379	15.1
73.02952	5.5
85.02955	7.7
89.02459	5.0
98.21832	6.9
101.02455	10.8
113.02438	5.1
119.05033	9.7
136.00435	2.2
149.89955	2.0
161.02464	2.6
161.04521	4.8
163.99815	3.3
203.05623	3.9
209.11717	2.8
223.71481	2.3
280.06946	3.2
291.23419	4.2
335.22229	6.2
337.10941	2.7
338.11111	3.0
453.28860	3.1
470.28513	2.4
514.11243	5.9
532.12720	3.3
539.28699	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75960	1.0
61.36140	1.1
61.98833	70.0
65.99854	1.1
68.63552	1.0
69.06226	7.3
82.65339	1.1
90.86758	1.0
98.22694	1.9
108.02179	33.5
109.01715	21.7
109.02454	0.8
110.02425	1.2
113.14822	1.1
119.05025	1.6
125.30278	1.2
125.96220	1.2
136.00415	2.1
140.23160	1.2
144.01321	1.3
157.06567	1.8
163.99977	2.1
164.98357	1.4
171.04491	1.5
179.76993	1.1
185.06084	100.0
186.06416	3.0
242.08337	2.0
254.02081	1.4
268.06265	1.8
269.04440	2.8
270.07663	5.1
271.08188	1.4
336.12424	28.3
355.64893	1.1
468.84497	1.2
647.13324	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	647.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89728	0.5
59.01381	0.9
59.36082	0.5
61.98836	100.0
67.30537	0.5
94.03024	2.0
108.02187	16.0
117.11659	0.5
144.05812	0.6
171.04489	3.9
172.05307	1.8
191.02696	0.5
199.04092	2.2
200.04794	18.4
201.05234	1.0
226.87115	0.6
241.08786	0.9
269.04684	1.2
270.07791	0.9
281.87329	0.7
314.80701	0.5
336.12436	58.7
337.12787	4.8
449.09763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84077	0.6
58.86706	0.6
59.01379	6.6
69.08633	1.9
69.09038	2.5
71.01381	1.8
73.02940	2.0
73.61974	0.6
85.02956	0.7
89.02459	1.5
93.03443	0.6
99.00889	4.1
101.02419	1.1
101.83928	0.6
107.11617	0.6
113.02454	1.7
116.23710	0.7
117.03475	6.8
119.05038	52.0
120.05405	1.0
122.02487	0.8
135.04539	1.0
145.02960	17.9
147.04617	0.8
148.01663	1.6
163.04018	100.0
164.01163	1.7
164.04356	2.1
166.54924	0.6
175.03751	0.7
178.01132	0.6
187.47890	0.6
190.02737	2.8
205.05080	1.8
207.02998	1.0
231.02812	0.6
249.04039	1.4
267.11438	1.7
316.46649	0.6
323.05450	1.2
370.53925	0.6
397.15036	0.9
489.34818	0.7
573.23828	1.1
603.21240	5.5
647.19403	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
60.99315	1.2
71.01376	0.7
78.94083	0.6
87.00890	4.3
88.00394	2.8
88.01192	0.8
88.04070	1.0
88.84914	0.5
88.98824	10.3
89.02455	100.0
90.02822	0.8
95.60130	0.6
98.22607	1.4
116.41680	0.6
118.56576	0.6
135.04536	0.7
165.37569	0.7
270.86728	0.5
588.35400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47748	0.5
59.01371	1.2
60.99326	1.1
63.23887	0.5
76.58453	0.5
87.00874	4.6
88.00413	3.1
88.01211	1.3
88.04053	1.8
88.57861	0.5
88.98819	8.9
89.02454	100.0
90.02794	0.8
105.11980	0.5
158.22632	0.5
207.20973	0.5
212.98149	0.5
309.10178	0.7
397.32593	0.5
643.17554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58391	0.8
59.01385	5.6
59.74832	0.8
61.98824	1.4
69.25969	0.8
71.01377	0.9
74.87988	0.8
77.13413	0.8
78.95895	1.4
80.05061	0.9
82.44886	0.8
94.06612	1.4
96.96027	2.4
106.06604	1.4
107.03809	1.3
108.04564	3.5
108.08241	1.6
110.06122	6.2
110.94136	1.1
118.06609	1.9
119.05064	1.1
121.05362	1.1
122.06128	11.8
122.74390	1.1
124.04166	0.9
134.06090	5.1
136.07706	4.4
144.04594	1.1
146.06119	1.9
148.07709	1.5
152.07214	3.9
159.07014	1.1
160.04048	0.8
160.07674	1.3
161.04849	1.1
162.05585	1.1
174.05606	2.1
180.06673	17.3
186.05602	1.2
187.06386	1.8
188.07182	8.5
201.11580	4.1
205.50304	0.9
209.11861	4.9
213.10474	1.3
215.11902	1.7
223.08850	1.1
224.09448	2.2
225.10429	2.3
236.09433	1.0
237.10344	2.9
238.07597	1.0
238.10977	1.9
239.11908	10.1
241.13487	2.8
246.97057	1.1
251.08252	2.8
251.11919	2.4
252.09090	1.6
253.09694	2.5
263.11908	2.4
264.09006	2.7
265.09854	9.9
266.10657	3.1
267.11462	5.5
267.91229	0.8
279.08157	1.8
279.11423	6.3
280.09134	1.3
280.12057	6.1
281.09314	2.1
281.13010	1.7
283.10944	1.8
285.12488	2.0
289.09921	1.2
290.10611	1.6
291.11395	3.0
292.08591	1.7
293.09317	11.6
295.10620	0.9
301.11905	1.3
307.10919	19.5
308.11685	40.7
309.12390	4.3
311.10233	3.0
323.10431	1.1
340.06741	1.4
340.10641	10.4
351.09909	1.4
352.10648	2.1
353.40414	0.9
360.17133	1.1
362.18994	1.1
376.16104	0.9
388.16812	2.3
390.18634	1.1
402.18158	1.6
406.17703	1.4
418.17737	3.8
420.15280	1.0
430.17752	20.5
431.18213	1.0
448.18808	26.4
449.19296	1.3
456.15561	1.5
474.16812	3.7
488.50903	0.9
492.17822	100.0
493.18097	7.7
506.19400	3.6
524.20471	98.6
525.21088	5.4
615.24591	1.4
647.26947	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58391	0.8
59.01385	5.6
59.74832	0.8
61.98824	1.4
69.25969	0.8
71.01377	0.9
74.87988	0.8
77.13413	0.8
78.95895	1.4
80.05061	0.9
82.44886	0.8
94.06612	1.4
96.96027	2.4
106.06604	1.4
107.03809	1.3
108.04564	3.5
108.08241	1.6
110.06122	6.2
110.94136	1.1
118.06609	1.9
119.05064	1.1
121.05362	1.1
122.06128	11.8
122.74390	1.1
124.04166	0.9
134.06090	5.1
136.07706	4.4
144.04594	1.1
146.06119	1.9
148.07709	1.5
152.07214	3.9
159.07014	1.1
160.04048	0.8
160.07674	1.3
161.04849	1.1
162.05585	1.1
174.05606	2.1
180.06673	17.3
186.05602	1.2
187.06386	1.8
188.07182	8.5
201.11580	4.1
205.50304	0.9
209.11861	4.9
213.10474	1.3
215.11902	1.7
223.08850	1.1
224.09448	2.2
225.10429	2.3
236.09433	1.0
237.10344	2.9
238.07597	1.0
238.10977	1.9
239.11908	10.1
241.13487	2.8
246.97057	1.1
251.08252	2.8
251.11919	2.4
252.09090	1.6
253.09694	2.5
263.11908	2.4
264.09006	2.7
265.09854	9.9
266.10657	3.1
267.11462	5.5
267.91229	0.8
279.08157	1.8
279.11423	6.3
280.09134	1.3
280.12057	6.1
281.09314	2.1
281.13010	1.7
283.10944	1.8
285.12488	2.0
289.09921	1.2
290.10611	1.6
291.11395	3.0
292.08591	1.7
293.09317	11.6
295.10620	0.9
301.11905	1.3
307.10919	19.5
308.11685	40.7
309.12390	4.3
311.10233	3.0
323.10431	1.1
340.06741	1.4
340.10641	10.4
351.09909	1.4
352.10648	2.1
353.40414	0.9
360.17133	1.1
362.18994	1.1
376.16104	0.9
388.16812	2.3
390.18634	1.1
402.18158	1.6
406.17703	1.4
418.17737	3.8
420.15280	1.0
430.17752	20.5
431.18213	1.0
448.18808	26.4
449.19296	1.3
456.15561	1.5
474.16812	3.7
488.50903	0.9
492.17822	100.0
493.18097	7.7
506.19400	3.6
524.20471	98.6
525.21088	5.4
615.24591	1.4
647.26947	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01723	0.7
66.63187	0.7
71.05038	3.3
76.67956	0.7
86.17060	0.7
87.04536	2.2
97.03026	0.8
99.04529	7.3
99.08189	1.3
115.04023	71.8
117.05589	53.7
118.05875	1.0
153.18137	0.8
154.49431	0.7
159.06636	22.7
159.07852	1.2
185.57957	0.7
296.03882	0.8
309.42249	0.9
329.17667	2.0
399.22110	1.2
427.21436	1.5
471.23828	2.0
587.28693	8.4
608.34143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.88831	5.0
71.05019	4.2
82.86307	1.7
87.04521	3.6
98.21954	1.7
99.04537	5.5
110.16356	1.7
110.94105	2.7
115.04022	74.5
117.05598	49.7
152.99533	2.3
159.06647	23.8
191.97609	1.6
246.36607	1.7
279.77689	1.8
294.46536	1.6
334.34274	2.0
581.42188	1.7
587.28510	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	647.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49205	0.5
59.01386	6.8
61.98829	2.4
64.92075	0.6
65.00330	2.3
67.01886	0.8
68.99820	1.1
69.03439	0.7
69.92259	1.5
69.92657	1.1
71.01386	5.8
73.02966	1.6
79.00433	0.6
80.65850	0.6
81.03462	2.4
83.01386	1.6
85.02956	2.5
91.01904	11.2
95.01397	1.6
96.96024	0.9
97.02953	0.9
101.02460	3.2
107.01389	3.3
108.02174	8.5
109.02950	2.9
111.00896	2.6
113.02459	3.1
114.01181	0.7
117.03477	0.6
119.05042	2.8
122.02518	1.6
123.00910	2.1
123.04539	36.9
124.01713	0.9
125.02441	2.0
135.04547	1.5
137.02452	0.8
151.00381	6.5
152.01164	7.8
153.01956	3.8
166.02731	2.3
167.03508	100.0
168.03848	2.6
181.05156	1.4
194.02307	0.6
209.04596	6.2
209.11899	0.9
239.05666	1.1
239.95238	0.7
251.05603	0.8
269.06616	2.7
273.18594	1.2
291.23526	3.4
296.05515	1.2
311.07751	21.1
317.17599	4.1
335.22263	6.9
361.16568	6.1
381.11795	0.9
603.31793	46.3
604.32098	4.6
615.28064	1.3
647.30780	18.8
648.30597	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	648.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78204	1.0
57.03443	2.1
59.01376	1.5
68.55154	1.2
78.47334	1.0
82.03015	1.7
83.01395	1.9
90.14159	1.2
92.03770	1.1
93.03454	1.2
94.02998	6.3
95.01367	1.8
96.95992	2.5
98.02431	1.2
98.21851	3.8
107.05027	4.8
107.78683	1.3
108.04532	2.5
109.02938	2.3
110.02477	3.8
111.00858	2.9
111.04538	3.9
114.98573	2.2
119.05025	2.0
120.00906	3.5
120.04546	1.3
121.03043	1.3
123.04504	2.8
124.04040	2.1
125.02433	5.2
126.00195	1.7
126.01941	1.9
127.05119	1.7
133.02953	2.2
134.02417	1.5
135.04527	2.3
136.00385	5.4
136.04044	2.8
137.02391	1.8
138.01991	6.2
139.00395	13.5
139.02267	2.4
141.99637	2.7
142.98064	3.6
145.02937	2.3
148.04002	3.2
149.02475	7.0
150.01874	1.3
150.05585	1.2
151.04019	15.5
152.03505	2.8
153.99696	5.6
154.98070	1.4
155.01768	1.6
156.99655	2.3
160.04065	2.0
163.00386	3.9
163.02747	2.5
163.04021	2.0
163.99911	24.8
165.00255	1.7
166.01447	2.6
167.01759	2.1
170.97586	12.2
171.98383	2.5
174.01941	3.9
175.02722	4.4
176.03543	17.2
177.01952	11.6
178.01373	1.6
178.05116	5.3
179.03537	5.7
180.01395	1.7
180.02980	3.0
182.02882	2.2
183.01263	6.8
183.07738	1.8
184.00821	2.5
189.05556	3.6
192.01366	2.3
192.03011	8.5
194.04614	2.8
194.97557	1.7
195.96762	2.1
195.98384	19.1
197.98685	43.6
202.01468	3.9
203.02344	3.2
204.03020	8.4
205.40794	1.1
208.00735	9.7
208.99086	1.7
210.02292	8.3
211.00705	5.1
220.02528	10.2
221.03094	1.2
222.04059	20.7
226.01807	4.7
227.06691	2.9
236.00235	37.8
238.03537	2.4
240.05084	1.3
254.01305	44.8
287.05643	1.7
388.10391	6.7
420.07611	20.7
482.08746	40.8
483.08963	3.0
529.15387	1.4
648.15051	100.0
649.15497	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	648.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67603	1.5
51.10241	1.0
59.01381	10.5
61.98838	4.0
62.93657	1.2
69.03464	4.0
69.69540	3.9
71.05010	2.4
78.03493	1.4
97.02961	71.1
99.04536	4.8
117.05595	40.1
120.97198	1.2
122.02498	100.0
141.82584	1.3
158.99956	1.2
159.06653	26.0
202.85977	1.4
226.12505	1.2
411.10172	1.2
547.19720	1.4
568.30042	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	648.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.3
61.98845	15.5
79.95756	8.5
88.75381	8.2
91.66131	7.7
96.96021	100.0
115.04012	12.8
117.03462	9.3
119.05178	9.3
122.02526	13.4
126.90411	15.2
135.04512	13.7
136.04855	11.4
148.05266	8.4
152.97357	9.4
162.53465	8.2
163.50366	7.7
169.46733	9.1
182.12405	7.8
284.03387	11.0
464.38312	9.3
616.03851	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	649.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22943	0.5
59.01329	1.0
65.00241	1.6
68.99775	0.8
69.09645	2.9
72.13495	0.6
83.01314	0.6
85.02845	0.6
93.03355	2.8
95.01280	2.0
96.95937	0.9
99.00805	1.1
111.00888	6.9
113.02317	0.6
117.03382	0.7
119.05033	14.5
121.02872	0.6
123.00894	3.8
125.02355	1.0
136.98746	1.0
137.02316	0.8
139.00397	10.2
141.01797	2.0
145.02800	2.2
147.00813	0.6
149.02446	2.3
151.00250	1.5
157.02826	1.4
161.02332	1.0
163.00262	0.5
163.99841	0.6
164.98145	1.9
166.99840	2.6
167.03450	0.6
171.04475	0.5
178.99745	0.7
181.02864	0.5
183.04445	0.7
185.02386	3.2
187.03970	0.6
190.99774	1.0
193.01439	4.1
197.02412	0.8
201.01947	2.5
202.16914	0.5
209.02448	0.7
225.01793	2.2
225.05450	0.6
229.01270	2.2
237.01776	0.7
241.01294	1.2
241.04964	0.7
242.08168	1.1
251.03410	0.6
253.01375	4.0
254.01929	0.8
254.99371	3.3
255.02811	1.2
263.03372	0.9
266.99271	0.6
267.02924	0.7
268.05942	1.0
269.00778	5.4
269.04343	1.8
270.07520	1.4
271.02362	1.6
271.05658	1.1
279.02866	1.0
281.00897	7.0
282.01419	2.2
283.02261	2.1
284.05630	0.9
294.98602	1.4
295.02283	1.5
297.00385	3.3
307.02347	1.1
308.16409	0.8
309.00485	1.3
311.01868	0.8
323.01874	0.8
324.99716	0.8
341.02905	0.7
351.01132	0.6
352.18823	0.5
386.17676	0.9
401.06580	0.7
403.00891	0.7
405.02457	2.9
417.05988	1.1
421.01947	3.5
422.02029	0.6
423.03510	3.4
429.06079	0.5
445.05493	0.9
449.01495	11.5
463.03275	3.0
475.03122	2.9
487.18973	3.7
503.15945	1.1
523.06726	0.7
539.12170	0.7
551.06378	1.5
569.07263	100.0
570.07611	8.0
605.20148	0.8
607.17096	0.9
649.03046	23.8
649.18573	3.8
650.03326	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	649.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13511	7.7
59.01371	27.5
63.32869	8.5
65.69978	10.0
71.01367	13.0
72.20998	8.6
74.99090	10.3
76.60887	8.5
78.16724	8.1
79.95749	25.1
96.96037	18.2
114.66770	8.4
136.98955	8.7
148.23595	8.0
161.02385	11.4
167.03459	12.6
233.72813	8.5
268.03726	94.1
269.04538	9.8
283.06036	28.3
363.01749	100.0
380.66943	11.0
401.86465	9.8
417.82468	9.9
607.54303	10.1
649.39307	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	649.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93369	0.4
63.72614	0.4
65.00300	1.5
69.06771	0.4
78.61928	0.4
92.99820	0.7
123.00861	0.4
124.01627	1.4
136.98810	5.5
149.99580	0.5
151.00369	0.6
152.01164	2.2
163.99782	0.5
164.98302	11.3
173.06029	0.5
175.02603	0.4
178.99886	0.4
180.00659	2.9
183.04539	2.5
185.02429	1.5
211.04041	2.2
227.03627	0.7
255.03008	11.0
268.06143	0.7
269.04468	2.8
270.07819	0.9
278.04477	0.7
283.02505	66.0
284.02768	2.1
296.09561	0.5
297.04153	2.1
298.04855	35.3
299.05222	1.3
313.07211	100.0
314.07535	4.5
320.02945	0.6
340.31241	0.4
382.10828	1.9
382.15219	0.4
398.14224	0.6
478.10413	2.3
649.12341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.3
61.98837	1.3
63.32900	0.6
67.90462	0.8
69.08419	1.6
69.08819	3.8
71.01391	3.0
73.02953	2.6
85.02964	2.4
89.02442	0.8
92.61996	0.6
98.21877	1.0
99.00897	0.8
101.02410	3.7
107.05051	2.6
111.43641	0.6
113.02402	1.5
117.03458	1.8
122.03722	1.0
132.02168	2.0
133.01936	0.8
133.02963	16.5
134.03770	11.0
135.04536	100.0
136.04892	1.9
149.02435	1.9
150.03238	6.6
160.01598	5.0
161.02458	44.8
161.04547	1.5
162.02788	1.4
165.05574	5.9
175.04013	6.4
179.03510	73.7
180.03929	1.9
193.05103	1.4
195.06665	3.9
201.02138	0.6
261.79410	0.7
269.10309	2.7
290.04132	0.6
337.09317	1.2
341.10059	0.9
397.39978	0.7
401.14844	0.9
415.08215	1.0
417.07880	0.9
443.15875	1.8
453.05295	6.3
487.34454	1.5
563.17596	1.3
605.18768	51.1
606.18951	5.1
649.39539	5.7
669.17310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05970	0.3
50.21288	0.3
51.67304	0.4
55.91447	0.3
59.01387	8.5
61.98827	0.6
71.01398	3.2
73.02953	1.8
78.95914	0.4
81.39005	0.4
82.11634	0.3
85.02973	1.4
86.20591	0.4
89.02457	0.6
93.03475	0.8
96.96009	3.0
99.00874	1.1
101.02465	1.8
106.54173	0.3
111.00890	0.4
112.45465	0.4
113.02460	1.8
116.92899	0.3
117.03482	0.8
119.01405	0.8
119.05042	2.2
121.02965	9.8
122.02479	1.2
125.50159	0.3
129.69963	0.4
132.02191	1.1
135.04556	2.4
147.00912	0.5
147.04533	3.0
149.02463	58.8
150.02795	1.0
161.04562	1.6
163.03996	0.7
164.04814	51.5
165.05177	1.3
172.94681	0.4
175.00391	4.0
179.07143	5.2
190.02733	9.9
201.11293	1.1
202.11897	0.4
205.05078	10.8
205.07008	0.5
208.03720	1.6
209.11842	0.8
210.12202	0.6
223.06139	100.0
224.06502	2.0
269.10236	1.5
285.04364	0.4
328.33942	0.4
363.18201	0.8
383.13330	1.5
401.14621	0.8
443.15506	1.6
469.31094	0.4
649.21014	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	649.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71530	0.2
59.01387	5.0
65.84962	0.2
68.83791	0.2
71.01389	2.2
72.99323	0.4
73.02941	1.5
83.01403	0.5
85.02959	0.8
89.02467	1.7
89.03974	2.5
93.03448	0.3
96.96029	1.1
99.00887	2.5
101.02448	1.8
106.04243	0.6
111.00905	0.2
113.02473	1.7
117.03471	6.4
119.05038	1.7
122.84061	0.2
125.02442	0.4
127.74994	0.2
131.03476	0.3
132.02193	3.1
133.02980	0.5
134.03757	87.7
135.04022	1.1
137.02451	0.5
137.06097	0.5
149.04828	0.4
149.06099	9.0
160.01680	11.3
161.02454	0.6
161.04623	0.3
175.04030	23.9
176.04306	0.5
178.02734	4.2
184.76964	0.2
191.05687	0.5
193.05083	100.0
194.05402	2.2
242.80058	0.3
281.10388	0.8
341.12363	0.4
404.66391	0.2
413.14627	1.8
455.15509	2.6
471.76935	0.2
473.16608	2.2
649.21405	3.8
650.22119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
61.98835	100.0
62.55434	0.1
67.46241	0.1
69.09051	0.1
104.37080	0.1
122.02482	0.2
236.20854	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	649.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37753	0.6
55.01880	1.8
57.03468	3.4
59.01387	24.9
61.95222	0.7
61.98836	1.0
69.03435	0.7
69.16222	4.1
71.01390	18.4
72.99315	3.1
73.02961	3.1
75.00881	17.3
76.64502	0.7
78.95934	0.7
83.01391	1.6
85.02959	21.7
87.00879	6.1
89.02446	4.9
95.01394	2.0
96.96029	3.8
96.96968	0.9
97.02974	1.4
97.34698	0.6
98.22622	1.3
99.00883	5.4
101.02446	4.1
111.04687	0.7
113.02458	19.3
115.00380	2.1
117.01939	1.4
119.03516	0.8
123.08163	2.4
128.08736	0.7
157.01396	0.6
161.04510	1.1
163.11328	2.0
175.02521	2.5
189.12856	4.3
207.13893	3.6
220.52792	0.7
394.88821	0.7
401.14368	1.1
429.17609	1.0
563.23499	2.6
605.24597	100.0
606.24933	5.4
640.28925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02336	4.1
59.01387	100.0
61.98829	4.1
75.00865	6.8
98.22650	13.7
103.01506	65.8
119.05030	4.3
133.14409	3.4
133.80061	3.4
135.04466	6.4
174.76134	3.4
211.08717	3.6
229.50150	4.6
232.88019	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	650.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29370	1.8
50.93824	1.9
52.02121	1.6
55.38480	1.8
59.01389	2.2
62.50315	1.7
65.00336	5.3
65.99850	4.2
67.03013	4.9
68.99819	2.6
71.01415	2.4
71.41087	1.9
81.04581	4.7
85.02965	1.8
88.45110	1.8
91.03027	4.3
93.04599	3.0
96.95996	2.0
103.06363	1.7
107.02546	3.6
109.04084	9.5
110.02498	4.3
111.00887	4.9
112.51810	1.9
113.02434	2.3
122.02490	1.7
123.03256	6.8
123.05675	3.2
123.76913	1.7
131.49545	1.6
133.04085	16.7
134.02501	4.8
135.03267	5.6
135.05676	1.9
136.00424	5.4
137.02611	3.1
137.03586	18.8
138.01994	2.1
139.00417	2.7
139.04114	1.9
141.07140	4.0
145.06631	1.9
148.04010	2.9
150.01974	2.3
151.02812	8.7
151.05183	4.1
156.08269	2.6
161.02411	3.3
161.03600	4.5
163.05083	3.3
165.00676	6.4
165.03056	5.2
166.01450	2.7
171.04530	4.7
175.05269	2.0
180.08226	2.4
187.05106	2.0
189.03090	3.5
192.03030	5.1
200.07140	1.9
205.06287	2.4
211.07632	2.7
224.07220	2.8
225.05595	8.6
226.06743	1.8
226.08742	7.6
240.06531	2.1
242.08250	52.7
249.10233	4.0
250.08723	3.1
252.04301	2.4
252.06700	5.2
253.05099	3.0
255.06664	6.3
265.09799	8.7
268.06155	11.1
269.04431	3.6
269.06958	3.3
270.07730	100.0
271.08328	4.2
275.33484	2.0
278.04779	2.0
283.20752	2.3
289.09845	3.1
294.07690	6.3
296.05621	2.2
301.09839	5.5
317.09247	8.6
335.10400	3.5
337.11844	2.7
380.12964	3.2
382.10583	3.1
398.14020	79.4
399.14404	6.1
401.11429	1.9
403.25571	2.1
450.13480	4.4
454.12650	2.3
462.13565	3.9
468.14496	11.6
518.17291	3.8
522.12067	5.6
523.12549	4.9
570.08203	2.9
570.16388	10.3
578.62323	1.9
588.18073	13.6
606.19080	15.6
632.16656	10.6
650.17993	51.5
651.18451	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	650.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48887	0.2
61.98836	100.0
74.94946	0.2
74.99973	0.2
79.14194	0.2
84.41030	0.2
104.55286	0.2
123.79016	0.2
137.02521	0.3
166.49387	0.2
213.70348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58625	1.8
59.01385	100.0
59.16922	1.9
69.61822	4.9
70.12082	1.8
73.68270	1.7
98.22559	4.6
117.04581	2.4
121.02959	3.0
122.02491	22.8
137.02441	3.1
226.15170	2.1
307.22092	2.2
357.05807	2.1
411.05301	2.1
424.92618	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	650.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53632	1.0
59.01368	1.5
61.98837	100.0
63.26619	1.0
67.21925	0.9
71.39217	1.4
78.95921	2.0
79.51875	0.9
83.45076	1.1
119.94688	1.9
147.95065	1.0
188.38739	0.9
305.29041	1.3
325.68503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64009	0.3
57.03450	1.1
59.01386	10.5
67.58430	0.2
71.01389	6.9
73.02959	0.6
77.00322	0.2
80.61053	0.3
85.02954	6.2
89.02451	3.6
92.73277	0.3
93.03469	0.3
95.01407	2.2
96.88383	0.2
96.96012	0.4
98.21903	0.7
101.02432	2.1
113.02460	10.9
115.04011	0.3
117.03481	1.1
119.03522	0.8
122.02489	1.7
122.03799	0.3
125.02440	0.4
125.07308	0.3
132.02185	17.6
133.02962	0.8
134.03755	16.3
135.04547	0.3
137.02365	0.3
143.03523	0.5
145.30017	0.3
149.06110	1.7
152.04787	1.4
156.50468	0.3
160.01675	69.7
161.02496	1.5
161.04610	0.8
167.07144	1.9
175.04018	100.0
176.04332	0.3
177.01971	0.3
178.02710	0.7
192.04291	0.5
193.05072	10.8
207.06647	1.1
213.05606	0.3
229.14449	0.5
265.07639	0.3
268.85123	0.3
282.25284	0.3
285.04065	2.7
329.12317	0.7
364.99567	1.6
457.17126	0.8
475.18192	5.5
505.16916	0.8
565.67603	0.3
651.22968	25.3
652.23279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.2
59.96312	0.8
60.99313	16.7
63.94632	0.8
64.35789	0.8
65.00301	1.0
67.67609	0.9
71.01422	0.9
85.02962	1.2
88.98811	100.0
96.96037	1.2
99.30146	0.8
116.64296	0.8
121.70994	0.7
137.03577	1.2
141.01938	0.9
164.98338	1.4
229.71762	0.9
242.08215	3.6
265.09659	1.1
268.06134	1.6
269.04568	4.9
270.07733	8.9
271.08090	2.6
283.02499	6.9
298.04840	4.6
313.07187	16.6
337.11966	1.7
346.07019	0.9
370.09055	1.4
379.12952	0.9
380.12552	1.1
392.51608	0.9
398.14035	3.0
399.14188	3.1
469.14508	1.2
522.12085	2.7
523.12524	1.8
571.08289	2.1
589.17920	1.3
607.19366	1.3
651.03107	1.1
651.18451	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	651.1504
Annotation	Griffipavixanthone
Peak:m/z	Relative Intensity
59.35128	2.8
65.00308	2.8
67.02914	2.9
70.52904	6.5
85.21693	3.1
92.02541	3.0
99.90942	3.0
102.14216	2.9
119.05920	3.1
126.55184	2.9
136.00461	3.2
151.93687	2.9
226.02548	4.2
242.08223	8.4
254.02130	16.7
268.06097	7.6
270.07758	21.8
287.02008	4.0
358.08401	48.1
359.08960	3.6
425.01633	5.6
470.59290	3.2
522.12128	3.4
529.07709	32.0
530.08136	3.6
633.13934	100.0
634.14105	8.9
651.14899	28.9
651.24725	4.2
652.15387	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	651.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63833	1.1
59.01385	8.6
61.98829	6.6
71.01410	1.3
72.82007	1.3
78.95926	1.4
93.03473	1.5
116.92915	1.2
117.03489	12.0
119.05054	5.6
122.02527	2.7
135.04585	2.0
139.58786	1.4
174.03339	1.3
185.06006	1.9
202.06572	1.4
203.07166	3.6
213.05258	1.6
217.08861	2.5
219.06560	1.8
245.08197	1.9
285.04053	36.6
298.05008	2.0
310.04861	2.7
337.10748	2.4
365.10324	100.0
366.10565	4.6
408.94611	1.7
492.12952	1.4
656.17816	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1567
Annotation	Scutellarein 7,4'-dimethyl ether 6-sophoroside
Peak:m/z	Relative Intensity
55.01891	1.3
57.03443	3.1
59.01382	19.2
62.35231	0.8
62.54966	0.8
64.36036	0.7
65.00341	1.4
67.01900	1.0
68.99817	1.3
71.01385	16.2
72.99312	3.4
73.02972	1.9
75.00878	7.8
82.39234	0.8
83.01388	1.1
85.02955	33.0
87.00890	5.0
89.02458	3.0
95.01396	10.7
99.00891	13.0
103.00378	5.7
111.00898	1.2
113.02460	65.0
114.02782	1.4
115.00384	3.0
117.01955	4.8
117.03506	2.2
129.01935	2.6
136.98802	3.7
138.77412	0.7
139.00392	0.9
152.01181	1.0
157.01431	0.9
161.02429	0.9
164.98309	6.7
167.79395	0.9
175.00977	1.2
175.02498	20.9
180.00719	1.2
183.04526	3.4
185.02545	1.3
188.71149	0.8
211.04033	2.6
226.02792	1.0
238.07889	0.8
241.80434	0.8
254.02299	1.2
255.03006	15.3
256.03427	1.0
269.04456	1.1
283.02490	81.0
284.02850	4.0
297.04004	6.1
298.04843	100.0
299.05316	5.5
311.05695	1.8
313.07208	62.4
314.07504	3.5
355.08191	1.5
461.11084	1.8
475.12473	65.0
476.13055	4.5
489.10263	4.1
651.16010	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	651.1571
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.82822	0.9
57.03451	2.2
62.18074	0.9
62.96399	1.2
63.89816	1.0
65.00345	1.1
69.67793	3.1
78.95909	1.3
91.50331	1.0
109.02961	8.8
110.94103	14.4
112.93821	3.6
118.59646	1.2
119.01379	6.8
119.26647	1.1
121.02972	3.7
125.02463	15.1
147.00888	23.7
148.01685	1.7
149.02419	2.6
163.00374	3.2
165.50270	1.0
167.05078	1.3
168.94641	2.4
171.04506	1.6
175.04012	4.0
177.32457	1.2
183.04535	7.0
185.05994	1.7
187.04071	2.7
189.05521	1.5
195.04523	1.1
196.05403	1.2
198.03253	1.3
199.04077	5.1
204.92310	19.3
206.92067	4.8
211.04060	6.9
212.04686	0.9
213.05603	2.7
214.02650	1.9
215.03397	1.3
217.05089	3.2
227.03522	28.7
228.04155	2.3
229.05159	3.2
238.02959	1.0
238.90276	1.0
239.03493	4.2
240.04160	1.8
241.05084	2.5
242.02240	1.4
243.05989	1.0
255.02994	31.7
256.03699	5.5
257.04602	5.0
267.02887	1.4
271.06247	1.5
283.02496	88.3
284.03244	40.4
285.04056	100.0
286.04401	3.7
299.05838	1.6
309.03967	1.7
363.07104	1.6
364.84070	1.1
446.08606	31.9
447.09323	88.1
448.09702	5.5
489.10400	38.1
490.10846	2.8
603.56885	1.2
651.15857	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	651.1572
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
50.32428	0.5
51.10582	0.5
56.70464	0.6
59.01379	2.0
59.68359	0.6
61.98827	0.6
65.00330	1.7
69.60223	2.0
82.95428	0.8
89.02507	0.7
96.96027	2.1
98.21959	1.3
101.02419	0.8
107.34605	0.6
109.02982	0.8
110.00101	2.7
117.03480	1.4
118.08002	0.5
119.01485	0.6
119.05042	1.5
125.02469	0.9
128.74014	0.5
136.98795	2.7
136.99768	0.7
140.20854	0.6
157.06616	0.6
161.02487	0.8
162.07895	1.2
163.00420	1.6
164.98291	0.9
165.99075	3.0
171.04524	1.3
183.04527	0.8
185.06088	0.7
187.04048	0.9
190.99883	0.7
200.04849	2.3
211.03978	1.7
212.04999	0.7
213.05577	1.9
227.03506	2.4
237.29201	0.6
239.03589	3.9
240.04269	1.6
241.05034	1.9
253.05058	0.9
255.03062	8.9
255.05859	1.2
256.03693	1.5
257.04691	0.9
267.03152	2.8
269.04709	0.6
281.04553	5.1
283.02524	15.1
284.03296	47.4
285.04074	85.5
286.04477	3.4
297.04019	0.8
327.05023	0.6
352.47461	0.6
369.13614	0.8
381.13434	1.5
429.08322	6.7
446.08371	0.8
447.09363	4.7
489.10437	100.0
490.10846	7.3
531.11566	1.1
651.15680	17.5
652.16302	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	651.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40446	0.4
51.41385	0.4
55.30740	0.4
56.11082	0.5
56.21835	0.4
58.99493	0.4
59.01390	5.0
61.98827	1.0
65.00320	1.7
69.07637	0.8
69.08040	2.7
71.01379	1.8
72.99287	0.5
73.02946	1.6
83.39278	0.4
85.02945	0.5
89.02454	0.5
91.01909	11.4
93.03486	0.5
94.77830	0.4
95.01438	0.5
99.00900	1.5
101.02490	0.7
108.02200	6.3
111.00884	0.9
113.02467	1.2
121.02886	0.5
122.02465	0.8
123.00919	0.4
123.04541	30.5
124.01674	0.5
137.81468	0.4
137.82549	0.5
139.00412	0.6
149.02448	1.3
150.02765	0.5
152.01170	4.1
164.04774	1.7
165.05038	0.5
167.03517	100.0
168.02463	0.4
168.03873	1.6
187.06958	0.4
190.02693	0.4
217.23369	0.5
223.06105	2.2
224.06532	0.9
365.19666	0.8
397.15335	0.6
607.20477	1.6
615.28333	0.5
651.33417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08986	2.4
59.01379	15.9
65.00328	9.6
65.99852	5.4
68.99828	5.0
71.01384	7.8
71.40382	3.6
85.02962	2.6
86.02456	2.9
89.02478	3.3
95.01369	5.0
96.95970	4.9
97.02930	3.8
99.00896	2.9
109.17440	2.7
111.00895	5.8
111.86280	3.1
113.02496	5.1
119.03521	3.4
123.05660	6.3
124.01672	9.9
126.72384	2.5
128.40559	2.4
134.99632	7.5
135.00699	3.0
136.00407	5.3
136.98819	12.3
139.00415	6.7
148.62674	2.6
152.01183	7.9
153.94788	2.2
161.02373	3.1
162.99088	3.0
163.99963	6.4
164.98308	13.5
165.06731	6.2
166.99826	2.5
167.03523	2.5
169.06532	3.0
169.60941	2.6
171.04532	11.2
173.06137	3.8
185.06158	3.2
187.00293	2.9
189.99081	3.6
190.98637	3.1
197.06184	2.8
203.07127	5.9
218.99413	5.6
225.05646	5.5
229.05029	6.0
229.98897	3.3
241.05042	6.7
242.08255	7.2
243.06670	20.0
245.08250	3.4
253.05014	5.6
255.06664	3.2
267.06546	5.7
267.10022	4.5
268.03564	5.7
268.06088	23.8
269.04489	26.6
269.06863	3.4
270.07794	16.2
271.06140	56.6
272.06577	3.9
279.05911	3.5
280.06131	9.8
283.06168	3.5
283.13474	12.4
283.20950	3.4
294.05197	3.8
295.04913	16.3
296.05716	6.5
298.07336	6.2
308.05807	6.7
309.14990	4.5
311.05728	3.7
311.12961	9.7
323.05603	8.1
327.16074	48.2
337.11957	100.0
338.12369	5.0
362.11554	3.9
367.13025	5.2
377.11392	3.4
379.14151	76.9
380.14554	3.7
391.04666	17.2
409.15027	3.7
419.13516	12.8
437.14636	74.1
438.15051	6.1
495.11008	12.4
496.14386	4.1
499.45117	2.9
501.11649	2.9
523.10022	4.9
524.11176	12.1
525.12085	3.9
540.12878	5.5
607.21942	10.5
626.59821	3.0
651.27838	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	651.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47254	3.4
69.13194	18.0
69.34611	3.0
80.65557	3.1
82.22794	3.1
95.27921	3.0
100.02032	3.5
106.93680	3.0
110.02514	4.3
112.12917	3.2
118.87986	3.2
120.76556	3.0
123.03309	3.7
134.02502	5.7
135.03323	3.2
136.00456	7.8
136.98833	3.2
150.29314	3.4
151.02817	5.1
171.04442	3.8
188.97713	3.3
242.08252	41.0
265.08691	5.3
268.06174	15.3
269.04517	6.7
270.05563	3.8
270.07767	100.0
294.07703	4.7
301.03268	3.4
322.07230	10.9
336.13666	8.0
338.10370	10.4
362.11615	4.9
380.12515	23.9
522.12085	41.6
523.12958	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	4.6
65.66663	1.5
69.30835	9.4
79.61217	1.8
110.00130	1.7
123.03255	3.8
134.02441	2.7
135.03261	5.2
136.00415	4.0
136.98805	4.3
138.01984	2.0
151.02725	2.7
163.99910	1.9
164.98305	5.4
165.00467	1.7
165.99014	1.7
167.59538	2.0
167.61246	1.6
171.04427	3.2
192.03056	4.2
224.07391	2.5
225.05479	2.1
240.06737	2.1
241.04999	2.7
242.08228	32.6
252.06433	1.8
254.05724	2.5
255.06610	4.7
268.06137	9.6
269.04477	16.6
269.06894	2.3
270.05594	5.3
270.07733	100.0
271.08078	4.3
280.06152	2.1
322.07220	6.7
336.13541	6.6
338.10336	8.6
380.12576	4.0
382.09387	5.4
405.04086	2.2
453.24243	2.0
522.12030	27.3
523.12573	23.0
524.13477	3.7
633.20306	2.8
651.20117	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	651.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14749	0.5
54.89706	0.5
57.03454	0.7
59.01385	14.4
71.01385	11.2
72.99292	0.6
73.02943	0.9
83.01389	0.7
83.48148	0.5
85.02953	9.1
87.00932	0.6
89.02451	4.9
94.54980	0.5
95.01389	2.6
97.02965	0.5
98.21867	1.7
99.00854	1.1
101.02452	3.1
113.02457	15.8
117.03485	1.2
119.03506	1.4
125.02483	0.8
132.02187	20.0
133.02983	3.2
134.02733	1.3
134.03757	26.4
135.04475	1.8
139.00275	0.6
143.03522	0.7
146.36275	0.5
149.06100	5.8
152.04799	0.6
160.01672	82.9
161.02466	7.6
161.04555	1.0
164.53528	0.5
167.07112	1.0
175.04019	100.0
176.04396	2.7
177.05717	0.5
178.02766	1.8
179.03545	1.3
191.07233	0.6
193.05063	19.6
235.06218	0.6
235.54224	0.5
265.07211	4.1
319.08337	0.7
319.54282	0.6
329.12323	0.6
337.09171	0.9
418.93463	0.5
475.18277	5.1
487.16238	0.9
505.17108	3.8
506.17734	0.7
579.99701	0.6
651.22986	73.8
652.23254	7.5
661.06738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40250	0.4
59.01387	10.4
66.26280	0.3
66.27700	0.4
69.24039	1.3
69.24437	0.8
71.01022	0.6
71.01392	6.2
73.02962	0.6
74.54685	0.4
75.66707	0.4
83.01383	0.5
85.02960	5.0
87.00878	0.4
88.94059	0.4
89.02455	3.9
89.25840	0.5
95.01389	2.3
96.44972	0.4
97.12209	0.4
101.02444	2.3
105.83959	0.4
113.01720	0.6
113.02462	8.7
117.03473	1.7
119.03524	0.8
122.02473	1.4
125.66463	0.4
132.02187	16.5
134.03754	16.6
137.06030	0.5
143.03490	0.5
149.06111	2.5
152.04796	1.1
160.01672	63.4
161.02179	1.6
161.04590	1.1
167.07167	1.7
175.04018	100.0
176.04358	2.6
178.02744	0.6
193.05074	12.4
204.53958	0.4
279.74298	0.4
329.12515	0.7
404.10654	0.5
457.17090	0.8
475.18152	5.7
505.17264	0.7
594.42560	0.4
609.27783	0.7
651.23029	25.1
652.23315	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	651.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00994	0.5
57.03455	0.6
59.01385	11.1
63.96268	0.5
69.53836	2.2
71.01391	7.4
73.02937	1.0
83.01406	0.6
85.02953	6.5
88.98826	0.5
89.02449	4.0
95.01413	2.1
96.96055	0.5
97.85337	0.4
98.18899	0.5
98.21902	1.0
101.02445	3.5
113.02469	10.9
117.03453	1.1
119.03547	1.1
119.05064	0.6
125.02509	0.6
127.87748	0.5
132.02197	16.8
132.03191	1.0
133.02998	0.7
134.03752	16.7
135.04472	0.7
137.06143	0.5
143.03462	0.7
148.75398	0.5
149.06102	2.5
152.04797	1.2
160.01680	64.1
161.02104	2.1
161.04596	1.2
167.07121	2.0
175.04024	100.0
176.04297	2.5
178.02759	1.0
183.58952	0.5
193.05070	11.9
297.15311	0.5
311.11130	0.5
329.12430	0.7
420.56738	0.5
431.00751	0.6
457.17230	0.6
471.25681	0.8
475.18130	5.9
505.17029	0.6
609.27649	0.8
651.22980	25.2
652.23492	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40508	0.4
56.10965	0.4
57.38541	0.4
57.96483	0.4
59.01384	100.0
61.98836	1.2
63.20819	0.4
75.00887	0.9
78.03513	0.8
85.02996	0.5
85.15188	0.4
94.03049	0.4
117.03500	0.5
118.51299	0.4
119.05129	0.5
121.89980	0.4
122.02492	50.4
123.02897	0.7
136.04057	0.6
152.63576	0.4
289.14404	2.2
305.48190	0.4
345.17126	1.2
395.93045	0.5
468.20218	3.5
614.29987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26485	0.6
59.01377	6.9
65.00328	1.1
65.99839	0.6
66.03460	0.6
66.92617	0.5
69.49429	2.9
71.01377	0.7
75.79500	0.6
78.15337	0.5
83.01338	0.5
94.03005	0.9
94.06622	1.9
96.04553	5.0
96.96026	0.7
108.04568	1.3
110.02468	0.6
110.06140	1.3
111.00832	0.7
119.05047	1.2
120.08206	14.0
120.63692	0.6
122.06106	1.3
123.03254	1.4
124.04057	20.1
133.04138	0.6
134.02560	0.6
135.05655	4.0
136.00375	1.3
136.04120	3.2
136.98814	0.7
138.05606	2.8
146.09676	0.7
147.05638	1.3
152.07140	3.4
164.07184	4.5
164.98242	1.2
165.00702	0.8
167.35921	0.5
171.04457	0.9
186.12975	1.2
187.08846	0.9
189.10367	0.7
201.10368	7.2
211.57010	0.6
213.10347	3.1
215.11923	1.0
217.13457	2.0
225.05653	0.8
227.11943	2.6
229.09850	8.0
229.13350	3.4
239.11923	1.8
240.06967	0.6
241.13602	1.6
242.08186	2.3
242.10518	0.8
245.12907	0.9
247.10863	0.8
255.06621	1.1
257.12869	3.0
259.10876	1.3
261.12473	9.4
268.03680	1.2
268.06229	2.5
269.04572	2.7
269.12976	2.1
270.07758	6.5
271.05984	0.8
275.13953	0.8
283.06155	0.9
286.07111	0.7
287.14056	5.8
289.11987	8.3
301.11911	6.8
302.11990	0.8
319.12991	100.0
320.13409	3.9
322.07336	2.6
331.13068	2.6
333.85736	0.7
380.12354	1.3
522.12158	5.4
523.12836	4.2
524.13751	1.2
528.71106	0.6
590.14288	0.8
591.24628	1.2
607.17273	1.1
651.26904	19.8
652.27209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98832	31.0
65.31236	13.4
75.00868	23.0
77.11302	14.2
78.95890	15.2
103.00399	14.8
103.01503	27.3
111.95795	14.8
123.13297	14.9
126.28004	14.3
137.57880	14.2
184.80832	15.4
198.94502	15.9
253.21793	22.1
277.21695	17.2
593.27295	22.5
602.82385	15.6
625.19708	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	652.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03132	1.3
53.66167	1.4
59.01379	5.6
62.16948	1.2
65.00341	2.2
71.01380	4.5
71.39876	1.4
72.99310	3.7
75.00877	3.1
84.42768	1.3
85.02959	6.3
87.00880	1.7
89.02456	1.6
91.55209	1.4
95.01402	3.9
99.00890	7.1
101.02422	1.9
101.70079	1.3
106.10501	1.4
110.00105	1.9
111.00875	9.2
113.02461	7.0
123.00941	1.6
125.02454	1.4
125.78757	1.4
133.02951	1.8
135.04549	3.8
136.98775	2.7
139.00372	12.4
150.03207	1.4
152.68547	1.3
161.02563	1.6
166.99870	5.7
175.02597	1.5
193.03552	4.4
211.03979	3.0
212.25577	1.3
274.21799	1.6
299.02103	2.2
300.02640	2.2
301.03561	100.0
302.03915	2.4
351.05737	45.1
380.99277	29.5
557.95703	1.4
653.09845	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	652.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25469	11.1
59.01390	100.0
61.98832	18.6
76.14352	12.7
86.33677	12.9
91.88934	13.4
96.40807	12.1
121.02962	43.8
122.02520	80.6
132.43343	13.5
146.14183	15.7
277.27148	15.0
504.56894	14.5
556.23181	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	652.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67830	17.4
59.01388	100.0
62.03786	19.1
62.94142	17.2
63.01297	19.8
69.24415	21.9
70.93945	24.5
73.36623	19.5
87.99275	20.2
89.02444	25.4
90.23830	17.6
95.53532	20.6
101.02431	22.9
121.02995	44.8
122.02482	48.4
193.56023	19.1
207.05380	19.1
229.47728	19.1
238.22716	23.2
253.62726	22.4
255.23280	74.0
327.25388	22.6
345.14413	21.8
397.13547	50.8
415.14508	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	1.5
59.01386	8.9
65.00357	0.6
68.99872	0.6
69.03524	0.5
70.71470	0.8
71.01384	8.6
72.99313	8.0
73.02946	3.0
73.75600	0.4
75.00880	12.3
83.01423	1.2
85.02961	12.8
87.00918	2.8
89.02445	2.8
95.01406	3.3
97.02971	0.8
98.77185	0.5
99.00895	14.1
101.02483	2.0
103.00367	3.1
110.00128	1.2
111.00895	8.6
113.02464	19.9
115.00368	1.2
117.01984	1.1
123.00928	0.9
125.02515	1.1
129.02008	1.5
131.03552	1.8
133.01480	1.0
135.04514	2.5
136.98848	1.4
137.02550	0.6
139.00388	10.8
139.01396	0.6
149.02423	0.5
150.09122	0.4
150.99304	0.5
151.00427	1.6
157.01503	1.9
161.02419	0.8
164.98326	1.0
165.02051	0.6
165.99132	0.9
166.99884	1.9
167.03571	1.4
175.02496	2.9
177.01978	0.6
190.99844	0.4
193.03560	9.3
209.04636	0.8
211.04001	0.8
227.03732	0.5
229.05026	0.8
235.04642	1.4
239.03539	1.5
241.01396	0.6
255.03114	0.7
283.02521	1.3
299.01941	1.8
300.02765	1.7
301.03561	57.7
302.03940	2.3
351.05710	100.0
352.06134	3.4
441.04385	0.9
477.06573	2.8
533.12805	0.7
653.09924	15.1
654.10443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1726
Annotation	Clemochinenoside B
Peak:m/z	Relative Intensity
59.01385	2.2
69.21120	0.7
71.01382	4.6
71.42410	1.0
73.02934	2.3
73.63943	0.7
76.85156	0.7
81.03492	0.9
83.78637	0.7
85.02951	3.0
87.00836	0.9
89.02453	1.0
96.37969	0.7
98.33096	0.9
99.00882	1.6
99.08390	0.8
101.02475	2.1
104.13749	0.8
108.02183	53.2
109.02972	15.2
109.85676	0.7
112.92691	0.7
113.02481	2.1
119.05022	1.7
121.02982	3.8
123.04510	1.2
134.03728	1.1
135.04526	3.0
143.56392	0.7
147.04501	1.1
149.02457	21.8
150.03261	6.0
151.03987	1.8
152.01167	100.0
153.01997	4.5
161.04446	1.2
163.04010	4.6
164.04802	12.8
165.01950	1.4
165.05602	1.9
167.03468	1.0
175.00357	1.1
176.01135	2.1
177.01886	1.0
179.03528	1.3
179.05638	0.7
179.07103	1.6
190.02695	2.4
190.15779	0.7
191.03441	4.2
194.02211	2.0
195.06731	1.0
205.05042	2.7
208.03717	0.9
209.04585	11.0
223.06145	11.7
224.47636	0.9
225.07545	1.1
315.07312	1.3
333.08789	0.8
429.10474	15.9
430.10684	0.9
447.11481	42.3
448.11630	1.6
519.81085	0.8
653.17249	79.6
654.17700	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.4
59.01386	1.2
61.98810	0.3
65.00314	0.3
69.85085	0.4
69.85466	0.6
71.01392	0.4
73.02958	0.9
81.03439	0.4
81.71095	0.2
83.01392	1.5
89.00697	0.3
93.03456	0.9
95.01363	0.3
96.96049	1.1
97.02968	0.3
99.00829	0.2
101.02499	0.4
105.03527	0.2
108.02171	1.1
109.02984	1.9
111.00877	0.5
113.02438	0.3
116.92851	0.4
117.03429	0.3
119.05025	0.6
121.02943	2.1
123.04535	0.8
124.01662	0.5
125.02458	14.5
128.03545	0.4
132.02177	0.3
133.02963	2.8
135.04463	0.3
136.01677	0.4
136.98840	0.3
137.01454	0.4
137.02457	5.7
139.00417	0.3
145.02940	0.4
148.01706	0.2
149.02426	1.3
151.03964	0.3
151.95024	0.3
153.01927	0.5
155.05069	0.3
158.03653	0.2
159.04549	1.3
160.01680	0.9
161.02460	12.7
162.03076	0.5
163.00368	0.7
164.01152	1.4
165.01964	2.5
167.03484	0.3
169.06560	0.8
171.04536	0.6
172.05363	0.3
173.02522	0.3
173.06079	1.9
175.03973	0.7
177.01933	0.5
177.05460	0.3
179.03473	0.4
181.06561	0.4
182.03746	1.8
182.85257	0.2
183.04507	2.0
185.02454	1.2
185.06099	0.5
189.05618	0.3
195.04507	0.4
196.05305	2.3
197.06094	3.2
198.03273	1.0
199.04036	1.6
200.04816	0.3
201.05605	2.2
207.04672	0.3
208.05293	0.5
210.03288	0.2
211.04082	0.6
212.04828	0.3
213.05592	1.8
215.07126	0.3
217.05034	0.5
219.06595	0.5
223.04128	0.5
224.04799	1.4
225.05576	5.3
226.02695	1.2
227.03481	1.8
228.04343	2.0
229.05099	0.5
239.03525	0.3
240.04295	1.9
241.05070	3.0
243.06627	0.5
245.04622	0.3
251.03467	0.5
253.05104	0.4
255.03003	0.3
257.04572	3.3
259.06088	1.0
267.03018	0.3
268.03683	1.5
269.04562	100.0
270.04910	3.1
271.06146	0.3
282.05334	0.8
283.06277	0.5
285.04031	1.6
286.04779	1.5
287.05621	16.6
288.05942	0.5
293.04575	0.4
311.05634	2.8
343.18808	0.2
360.12119	0.2
375.14450	0.6
405.15463	0.9
413.08777	0.3
431.09857	43.7
432.10187	2.1
449.10876	4.7
473.11099	0.5
491.12045	4.8
573.07159	0.3
653.16998	0.3
654.26996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
65.00327	4.7
65.99835	4.2
68.99806	2.4
69.63425	5.2
69.63802	3.9
73.02940	2.4
75.50736	1.9
92.99838	2.7
93.03473	4.2
110.02526	3.2
119.05032	37.6
136.00400	5.6
136.98816	6.9
138.01973	3.4
143.05019	3.8
145.02942	2.9
151.00409	4.9
152.03528	4.9
162.02020	4.8
163.99896	9.0
164.98262	2.1
165.00600	3.2
165.98898	2.8
166.01453	4.1
167.03499	2.5
167.04822	2.6
171.04507	3.4
172.03949	2.4
175.99910	5.4
176.03601	2.7
178.12442	2.1
179.04597	2.8
180.03110	2.4
187.64725	2.2
190.01558	2.8
198.05547	2.4
202.01405	5.8
216.03058	2.8
218.00911	7.3
225.05511	3.6
240.06725	2.7
241.05231	3.1
242.08005	2.6
268.06226	9.0
269.04541	15.2
270.05054	6.0
270.07764	5.5
271.06140	8.1
273.33105	2.4
280.06134	3.5
282.04089	2.9
284.05594	5.4
286.07376	12.0
296.05545	5.2
306.07465	2.6
334.07272	3.3
338.06702	7.6
370.09225	2.6
393.92950	2.6
421.10373	3.0
434.04752	2.9
473.09933	6.4
488.82346	2.4
489.09348	4.8
517.09009	10.9
538.11487	7.2
539.12390	7.1
549.11755	8.0
577.16406	3.2
603.13788	3.1
621.05664	4.5
621.15216	46.0
621.25433	3.2
622.14972	3.3
653.17798	100.0
654.17712	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	653.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97564	6.1
59.01386	6.3
61.98821	3.4
65.00331	10.5
65.99865	7.2
69.20411	19.7
71.01396	3.4
74.99095	5.2
77.21136	3.0
77.54418	2.7
82.02980	3.7
93.03481	4.3
95.01362	5.0
96.00960	4.9
96.04550	3.7
96.96009	9.1
97.02949	4.2
98.02449	7.2
101.02470	4.0
110.02489	9.4
111.00900	7.2
116.92736	3.7
119.05032	21.1
120.04618	3.4
123.00935	7.0
125.02447	10.7
134.02492	5.1
136.00345	4.8
136.04059	3.7
136.98801	4.3
138.01971	16.5
139.00397	3.9
140.03525	5.6
143.05061	9.2
146.02515	3.8
148.04193	4.0
150.01967	6.6
156.19608	3.8
160.04068	4.0
161.02408	3.6
162.01959	7.2
163.99901	5.8
164.98296	9.7
171.04535	10.5
172.03961	3.7
174.01958	4.4
176.03564	11.7
177.01941	5.7
180.03139	3.8
186.02020	4.7
188.03560	5.5
192.03053	10.5
198.05559	4.0
202.01472	5.8
204.03085	17.5
206.04634	3.8
216.03021	6.2
232.02480	4.4
240.06604	5.7
242.04568	5.7
242.08240	11.4
255.06625	6.7
266.04477	3.8
267.03146	5.2
268.06213	14.3
269.04514	18.2
269.07117	3.7
270.05090	7.1
270.07675	30.8
271.06058	6.2
278.08292	4.8
280.06146	6.6
284.05731	4.0
296.05594	5.5
306.07779	5.4
310.03647	3.5
320.09332	7.3
322.07211	7.3
323.07849	4.3
346.10898	5.5
348.08786	5.5
370.09848	3.7
382.09726	4.0
392.07837	18.0
407.12241	5.1
414.09985	3.6
431.12561	11.1
457.10474	9.6
463.16595	5.1
474.81619	3.7
475.05206	5.1
475.11526	60.5
501.09421	4.1
507.14224	23.2
517.08557	4.6
533.11536	5.3
538.11316	13.2
539.12317	4.2
549.11200	4.8
577.16608	5.9
583.42932	3.2
603.14288	10.9
604.13397	3.1
621.15179	75.4
622.15442	4.1
643.32916	3.3
653.17676	100.0
653.44214	13.8
654.17822	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	653.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28255	1.3
51.66467	1.1
63.89521	1.2
65.00328	4.9
65.99826	2.0
69.71946	3.1
69.72272	1.7
83.01391	1.9
93.03471	4.6
95.01417	1.3
96.00938	1.4
107.01379	1.6
109.02923	1.4
110.02501	1.6
119.05035	33.7
120.00876	1.7
120.99335	2.3
122.92858	1.5
123.00881	1.3
135.00874	1.5
136.00410	4.9
136.03983	1.8
136.98828	2.6
137.03580	2.9
138.01991	2.6
140.03610	1.4
143.05061	2.6
144.04520	1.6
145.02957	2.5
151.00406	3.7
152.03575	5.0
158.02483	2.3
158.03841	1.3
162.01974	3.2
163.99907	5.2
164.01152	1.9
164.98378	2.0
165.00653	2.9
166.01445	3.8
170.06293	1.4
171.04480	2.2
174.01912	2.5
174.05550	1.3
175.05177	1.9
175.99857	3.7
177.01921	2.8
179.04602	2.0
180.03062	1.9
187.04053	3.0
190.01485	2.5
192.02887	1.4
198.05673	1.3
200.03610	2.3
202.01511	4.6
204.02805	1.3
214.05058	2.6
216.02876	2.0
218.00966	5.4
219.04207	1.7
230.00856	1.5
232.02484	1.7
238.05042	1.5
240.03130	2.2
240.06621	1.3
242.01102	1.8
242.04546	1.5
242.08221	2.1
247.03636	2.0
253.05051	2.5
255.06557	1.9
266.04504	1.8
268.02783	1.9
268.06146	4.1
269.04578	8.7
270.05008	4.3
270.07803	5.3
271.06116	6.6
282.04141	1.4
284.05737	8.1
285.05505	1.4
285.18600	2.9
286.07251	7.2
296.05679	4.6
308.01968	1.9
310.03732	1.4
312.05154	2.2
325.04761	3.4
329.17593	4.7
336.01315	1.3
336.08923	1.6
338.06729	5.8
413.10733	1.5
433.99194	1.4
434.04916	2.6
447.17853	1.7
449.10092	2.1
473.10049	3.5
489.09326	4.2
491.22830	4.7
499.07901	2.3
517.08801	8.1
522.57532	1.4
538.11536	5.6
539.12189	3.6
549.11871	6.7
564.89630	1.3
603.14459	2.7
618.20587	1.8
621.15149	39.8
622.15979	3.5
653.17834	100.0
654.18018	8.1
678.02393	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	6.2
65.99850	3.8
68.99818	2.9
69.28996	8.8
81.03448	2.9
82.02982	2.7
96.95994	1.9
97.02962	2.7
98.02518	2.5
106.02975	10.1
109.02988	2.0
110.02497	6.0
110.54811	1.8
122.02583	2.6
123.03270	8.8
124.66011	2.0
134.02518	11.0
135.03302	8.2
136.00420	4.8
138.01958	3.0
150.01978	3.1
151.02788	7.8
165.00717	2.2
166.01508	2.8
167.03519	4.1
171.04568	8.4
173.06189	3.2
178.01494	9.7
192.03088	8.3
193.01431	4.8
207.04333	2.5
208.18253	2.1
210.04102	20.5
211.19891	2.1
226.08644	2.5
231.04228	3.2
235.02554	8.9
242.08253	62.9
242.10629	4.4
243.08768	2.0
245.08046	2.5
250.08736	2.4
252.06758	3.1
260.02023	2.1
268.06262	2.9
270.07718	100.0
271.08038	3.6
292.09778	2.3
296.05560	4.4
321.07761	2.5
326.08054	2.8
335.10437	9.4
353.11243	2.4
365.09268	2.2
382.09439	74.2
383.09476	2.7
398.14145	3.7
407.08878	19.8
408.05020	3.5
408.09796	2.1
410.06516	2.9
425.07669	5.3
436.04590	2.1
486.13419	2.7
518.41101	2.2
542.12390	8.0
546.01721	2.1
549.16638	3.5
574.14868	2.5
585.13135	48.9
586.13690	3.8
600.13367	9.4
601.14148	2.5
602.72852	2.0
617.05548	3.9
617.15649	82.1
618.16272	5.3
621.15582	3.3
629.53473	1.9
653.17822	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	653.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47507	2.4
65.00319	12.0
65.99859	2.6
68.99802	5.2
69.80827	9.2
73.49844	2.6
81.03467	8.2
82.02990	11.0
95.01418	2.6
110.02507	4.7
123.03274	4.8
124.04023	15.0
125.02409	4.2
126.01974	3.9
134.02487	7.3
135.03297	5.9
136.00433	5.0
136.98810	10.6
138.01964	3.4
150.02103	2.5
151.00403	3.2
151.02669	3.3
153.01628	2.5
156.06610	4.9
165.00700	5.3
166.05081	2.8
168.01608	2.5
168.02995	5.7
171.04512	5.5
177.01749	2.6
180.08211	3.5
184.05199	2.7
184.07700	2.9
192.02956	6.0
220.07669	3.3
226.08740	8.6
228.05162	13.1
237.89684	2.8
242.08171	36.2
248.07042	4.4
252.06659	5.2
254.06024	2.6
255.06639	3.0
268.06113	4.1
269.06897	4.5
270.07748	100.0
271.08075	4.5
276.06635	7.2
278.04419	3.8
294.07529	5.1
306.07910	3.0
320.05704	5.8
322.06851	3.2
380.12775	10.0
382.09552	4.9
398.13959	46.4
404.12769	5.4
420.11960	3.2
424.12045	3.0
447.76367	2.7
448.12061	7.6
452.11459	4.2
466.13065	13.2
492.10699	3.8
515.10620	4.0
520.10358	35.8
521.10956	3.2
525.17291	2.9
549.16772	73.1
550.16864	4.8
551.14807	8.9
552.13263	12.1
553.13947	2.7
581.19177	2.8
603.13904	8.1
617.15088	4.1
621.15253	14.4
653.17877	72.6
654.18036	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33210	1.2
59.01379	11.9
66.93835	1.2
69.68307	4.7
71.01383	11.6
73.02943	2.6
73.58321	1.3
74.37232	1.3
79.95683	2.0
85.02943	5.2
87.00876	6.0
89.02452	6.6
91.01892	9.1
95.01394	1.6
101.02430	9.5
108.02164	10.3
109.02977	2.1
111.00893	3.8
113.02457	10.5
119.03511	1.8
123.04542	37.3
125.02425	2.2
139.00517	1.5
143.03474	3.3
151.00342	2.5
152.01160	11.8
161.04594	2.0
166.02724	3.8
167.03514	100.0
179.05589	1.8
181.05064	3.9
194.02196	2.5
203.05435	1.9
209.04547	17.7
221.06737	1.9
239.05629	4.7
268.25827	1.5
269.06735	4.1
301.03586	19.6
311.07623	2.3
329.08844	3.9
371.09933	17.3
401.10709	4.5
431.11707	4.8
477.06735	5.3
485.15094	7.6
644.93964	1.6
653.19434	53.1
654.19763	2.8
675.91327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
55.05902	0.7
57.03439	2.3
59.01384	25.7
65.00333	1.3
67.01901	0.9
69.03477	0.9
69.43208	2.7
69.43616	1.8
71.01389	32.6
72.37866	0.8
72.99303	0.9
73.02955	2.0
81.03468	1.3
82.14503	0.8
83.01369	1.8
85.02953	23.4
87.00874	4.7
89.02454	21.8
89.38917	0.7
91.01916	5.5
95.01399	7.7
96.95990	2.5
97.02950	1.2
99.00871	1.6
101.02458	9.6
107.01395	2.4
108.02187	8.2
109.02945	2.9
110.46944	0.8
111.00899	1.9
113.02461	51.5
119.03501	2.9
122.03728	1.2
123.00890	1.1
123.04536	25.2
125.02445	2.9
131.03540	1.5
135.04533	1.7
139.00398	1.1
143.03476	4.1
150.03169	2.6
151.00351	6.9
152.00128	1.0
152.01198	11.1
153.01894	1.4
161.04579	10.7
166.02728	11.2
167.03511	66.6
168.03848	1.2
177.01923	2.3
179.03467	1.0
179.05586	3.2
181.05077	10.3
185.04561	0.9
193.04965	0.8
194.02242	7.6
195.03004	1.0
209.04556	55.6
210.04852	1.3
239.05641	7.7
254.04413	1.0
269.06705	21.4
296.05472	0.8
301.03497	2.5
311.07730	7.2
328.05130	0.7
329.08853	13.2
330.09344	0.8
341.11011	2.5
477.06671	1.0
485.15213	12.3
503.15909	1.3
573.11334	1.9
653.19391	100.0
654.19720	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	653.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18754	0.9
58.09821	1.0
59.01398	6.1
61.14529	1.0
67.76646	1.0
69.90138	2.1
69.90525	2.5
71.01379	5.0
73.02936	3.3
85.02946	2.9
89.02462	3.7
91.01904	6.9
101.02457	5.1
108.02205	7.6
109.03001	1.5
113.02453	3.0
121.09308	1.0
122.03722	1.5
123.03619	1.7
123.04530	31.6
123.05389	2.2
125.02384	2.1
151.00356	3.1
152.01169	7.4
161.04547	2.1
166.02696	5.8
167.03511	100.0
168.03854	3.1
181.05112	6.5
194.02191	3.9
195.02878	1.2
209.04565	40.2
228.19998	1.1
228.77635	1.2
239.05612	16.0
269.06693	11.0
315.98663	1.1
329.08835	18.2
371.09869	23.5
372.09903	1.5
401.10867	22.2
431.11929	15.6
491.13998	5.1
533.15155	39.1
534.15466	4.9
593.17395	1.6
653.19354	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	653.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23526	1.1
55.01878	1.7
57.03461	6.4
58.33183	1.1
59.01383	27.1
63.18212	1.1
65.00347	1.3
67.63823	1.4
69.36192	5.1
71.01384	42.4
72.99285	2.0
75.20510	1.4
84.02183	1.3
85.02954	43.4
87.00874	4.2
88.85473	1.2
89.02451	20.7
92.36930	1.2
93.03457	3.8
95.01395	20.4
96.95983	1.6
98.22600	1.5
101.02453	7.4
111.00904	1.6
113.02460	100.0
119.03505	2.8
121.02960	18.1
123.00784	1.6
123.04520	3.2
125.02443	1.8
131.03497	5.8
131.08282	6.1
139.00391	2.3
141.01953	8.8
143.03474	5.2
154.94556	1.3
161.04576	27.6
165.01965	20.4
167.03479	6.4
172.00970	3.3
173.10446	2.4
174.76785	1.4
179.05611	29.9
180.06076	1.7
191.02216	1.4
196.05811	5.0
201.02623	11.1
209.04559	2.0
221.06628	6.4
231.08353	1.4
238.06860	21.3
243.07372	1.3
255.09508	15.2
303.05081	5.1
315.11606	5.8
396.49976	1.2
397.10828	4.1
415.11761	4.2
479.08374	7.2
653.08313	1.9
653.19342	22.2
654.19409	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	653.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67903	7.0
59.01389	20.1
69.84001	6.7
69.84334	17.0
113.44777	6.6
118.36079	6.5
122.02506	100.0
154.75233	7.6
216.74232	6.8
320.10364	7.4
558.08319	6.8
559.48706	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	653.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15168	0.4
58.54409	0.3
58.81728	0.4
59.01382	3.3
61.98838	0.5
71.01373	1.7
71.40825	0.5
85.03001	0.5
89.02459	0.9
96.17529	0.4
101.02477	0.7
113.02457	0.6
124.78163	0.4
169.22636	0.4
193.05017	0.4
214.09886	0.6
215.10730	4.1
217.12373	1.4
227.10829	0.6
241.12267	1.0
247.48935	0.5
255.13939	2.2
268.14645	0.7
269.15421	5.5
270.16220	1.4
283.17047	8.7
284.17792	4.6
285.18610	56.3
286.18890	2.3
311.05511	0.5
329.17596	100.0
330.17896	5.6
353.17581	0.7
371.18652	10.2
405.35886	0.5
472.83203	0.5
491.22891	61.4
492.23129	4.5
533.23633	0.8
653.28156	44.0
654.28198	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	653.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03184	0.6
55.01889	1.2
57.03445	2.3
59.01384	100.0
60.01707	0.9
61.09901	0.7
61.98849	3.3
66.70288	0.7
68.31928	0.7
69.03471	1.9
69.60589	1.8
70.65226	0.6
71.01385	11.4
71.01749	1.1
71.14316	0.6
73.02953	25.9
78.95938	0.9
83.01383	5.5
85.02954	11.6
87.00905	1.6
89.02461	2.7
89.17657	0.6
93.03439	0.9
95.05022	1.0
97.02959	33.6
97.06591	0.8
98.03323	1.2
98.22585	0.9
99.00910	2.4
101.02456	21.4
107.04980	0.9
108.02193	1.6
109.06609	0.7
113.02445	5.9
113.06117	2.0
117.03496	1.3
119.03532	2.1
119.05041	1.3
119.08688	1.4
121.06616	1.7
123.04554	1.3
125.09752	1.0
131.03516	2.2
133.03008	0.8
135.04596	2.2
135.08165	0.8
137.06093	8.9
139.04041	1.2
139.07715	0.7
143.03510	2.2
149.04593	4.1
149.06067	0.9
149.09752	0.9
153.09244	2.5
153.56335	0.8
153.87703	0.6
161.04570	8.7
163.07709	2.3
170.95781	0.7
203.05560	0.8
217.07220	4.1
221.06612	1.5
227.03630	0.7
235.08235	4.7
241.16112	0.8
243.13991	0.9
255.13963	1.5
255.17433	0.8
257.19116	1.5
267.17593	2.7
269.15518	1.3
273.15012	0.9
277.09271	7.5
283.02588	1.0
283.17264	2.0
285.18631	5.8
293.15387	4.7
299.02002	0.9
300.02927	1.9
301.03189	0.8
311.16611	10.1
329.17599	56.9
330.18112	2.5
357.97058	0.7
533.23700	3.0
653.13440	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	653.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97639	1.3
59.01384	100.0
59.73651	1.3
71.21342	1.9
71.32841	1.4
80.22516	1.6
99.04549	2.4
111.33424	1.7
117.05588	21.4
121.02969	25.9
159.06615	7.5
193.00182	1.7
315.73993	1.7
331.02939	1.7
500.93637	1.8
572.72595	1.7
593.28223	3.9
664.94489	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16990	0.7
54.71756	0.8
69.96175	2.4
78.95911	100.0
121.63353	0.8
149.00108	6.1
205.15959	2.4
285.12604	2.5
348.79459	1.0
355.16754	1.8
385.18488	1.0
447.13528	5.6
463.59222	1.0
653.30200	49.3
654.30096	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74338	2.8
54.25554	2.8
59.01386	100.0
61.98836	17.7
66.17612	3.0
71.01389	26.2
71.42065	3.2
73.02956	13.2
85.02963	10.1
89.02451	21.6
101.02438	19.2
113.02461	29.2
119.03514	4.8
119.05076	10.4
135.67429	3.0
161.04552	6.4
355.09534	2.9
549.34149	3.8
594.14435	3.7
653.44330	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	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03462	0.9
58.00608	0.7
59.01385	56.3
61.98831	0.7
68.99823	0.6
69.03451	2.5
71.01388	36.8
72.99320	1.4
73.02948	7.0
75.00885	0.7
77.91937	0.4
78.95918	0.5
81.03475	1.9
82.41982	0.4
83.01391	5.0
83.05025	0.5
85.02961	8.3
87.00885	10.8
89.02454	31.9
91.04034	0.7
95.01402	2.6
96.96030	0.6
97.02955	5.8
99.00906	1.9
99.04562	0.4
101.02454	27.2
103.00404	0.5
111.00925	0.5
111.04536	1.0
113.02461	14.0
113.95130	0.4
115.04044	1.2
119.03517	10.9
121.03005	0.6
123.00919	0.5
124.01679	0.5
125.02468	13.0
129.01967	0.6
131.03517	1.5
133.05109	0.8
137.02451	0.4
139.04019	0.9
143.03528	6.1
149.04555	1.2
152.99608	0.4
159.03146	0.4
161.04579	7.1
163.03938	0.5
167.03476	0.7
169.05125	0.5
176.05913	0.4
179.05632	6.4
182.02820	0.4
185.04620	0.5
217.07254	1.1
219.05110	0.6
221.06627	2.2
235.08250	14.7
235.10614	0.8
245.06697	1.2
253.09317	2.9
255.23315	100.0
256.23663	2.7
263.07730	1.2
269.24860	0.8
277.09369	0.9
287.07764	2.6
300.15900	0.5
305.08774	4.0
323.09796	1.8
356.45050	0.4
361.11514	0.7
379.12433	1.4
394.58228	0.5
397.13522	84.2
398.13925	2.7
415.14603	34.1
416.14923	1.0
653.37714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03442	1.6
58.00606	0.9
59.01386	55.6
62.49485	0.4
66.59623	0.5
68.99821	0.5
69.03475	2.3
71.01389	34.1
71.41726	0.7
72.99287	1.5
73.02951	6.9
75.00867	0.7
78.47990	0.5
81.03460	1.6
83.01395	5.0
85.02955	9.4
87.00883	9.6
89.02454	32.4
91.03992	0.9
95.01412	2.9
97.02949	7.0
99.00873	2.4
99.04465	0.5
101.02455	29.1
103.04014	0.7
109.02957	1.1
111.04520	1.3
113.01720	0.9
113.02462	14.4
115.04063	1.0
117.05575	0.8
119.03513	10.4
119.04943	0.5
121.02972	1.9
123.04462	0.6
125.02465	12.7
127.04023	0.8
131.03508	1.5
133.05016	0.7
139.04002	0.8
141.01929	0.9
143.03516	5.3
149.04568	1.2
161.04543	7.5
167.03442	0.8
179.05640	6.6
185.04578	0.7
215.97203	0.5
217.07109	1.2
221.06660	2.6
235.08249	14.3
245.06824	1.2
253.09431	2.9
255.23323	100.0
256.23697	3.9
263.07700	1.7
277.09189	1.0
287.07715	3.1
305.08746	3.4
323.09839	1.6
325.18524	0.7
379.12561	1.1
380.19119	0.5
397.13531	82.7
398.13861	3.3
415.14597	30.9
416.15152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08116	2.7
59.01374	8.9
61.98841	12.1
71.01396	2.8
73.26053	2.2
82.95387	2.4
93.28437	2.2
93.73698	2.6
96.96018	2.6
99.13184	2.5
115.46567	3.0
119.05033	8.0
135.04564	5.7
407.98587	3.1
653.44189	100.0
654.44263	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	654.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79972	0.7
58.98451	0.6
65.00326	5.4
65.99865	0.9
68.99803	0.9
74.99135	0.9
82.02978	2.3
83.01398	0.8
89.82912	0.7
93.03410	0.8
95.01396	2.4
96.96020	1.6
96.99320	1.5
98.02484	2.5
99.00874	3.0
100.04017	0.8
104.65926	0.7
108.02177	0.9
109.02950	1.0
110.00095	2.3
110.06660	0.7
111.00872	4.3
117.03438	1.0
119.05025	3.0
120.00899	0.7
120.99645	1.3
121.02945	0.8
123.00893	2.2
124.01672	6.6
124.98831	1.0
128.14763	0.6
135.00934	0.9
135.04512	0.7
136.01645	1.7
136.03975	0.8
136.98817	5.7
137.02440	1.0
138.01956	0.9
139.00383	5.0
147.04541	0.9
149.58334	0.7
152.01144	6.6
153.01877	0.8
157.06607	1.2
157.33949	0.7
161.02464	0.8
163.99867	0.7
164.98317	3.3
165.00688	0.8
165.99062	2.3
166.99907	2.8
169.06586	0.7
171.04489	1.5
173.06108	2.9
175.03937	0.9
177.01926	2.9
180.00525	0.7
181.06644	0.9
185.06042	1.8
193.01395	0.9
197.06064	1.2
201.05597	1.5
209.06186	1.3
215.06961	0.7
225.05576	5.1
227.03549	0.8
227.07175	3.3
229.05028	1.4
237.09241	1.4
240.06735	0.8
241.05037	1.6
242.05827	0.8
242.08293	2.5
243.06622	27.7
244.06981	1.3
253.05031	4.4
255.06654	1.1
263.07080	1.1
265.05115	0.9
266.08167	0.8
268.06091	1.9
269.04523	10.1
269.07007	1.0
270.05051	2.4
270.07745	4.9
271.06131	100.0
272.06506	2.8
280.06216	0.9
281.08170	4.1
283.06052	1.0
283.20740	1.9
284.05920	0.9
284.21179	1.4
296.05640	1.9
307.06082	3.0
309.03076	0.7
352.08377	1.2
362.06735	1.0
363.01559	1.0
370.09335	53.5
371.09677	2.8
383.09375	1.0
384.07217	0.9
523.12170	0.9
524.12494	1.2
525.12598	1.5
529.27393	0.8
538.12054	1.1
539.12335	1.1
546.04187	0.8
610.27588	1.6
622.14728	1.7
654.16052	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	654.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.9
66.03463	0.7
67.50479	0.5
67.80024	0.5
71.01391	1.3
71.05013	2.2
71.43959	0.7
72.97530	0.9
73.98328	4.0
75.00341	0.5
78.07925	0.6
80.05084	3.7
82.02988	9.5
82.83138	0.6
83.01387	2.5
83.05045	5.2
84.02189	0.9
85.02995	0.8
86.02479	1.7
88.36172	0.6
89.00678	12.4
93.03469	0.6
96.04556	4.0
98.02489	33.1
98.06136	3.8
99.00901	0.7
106.98399	0.5
108.04575	14.4
109.02943	0.9
115.02254	14.4
117.03471	0.8
119.05019	2.3
124.04059	12.9
126.05627	7.0
127.00378	1.6
129.51218	0.5
130.11838	0.6
133.02953	0.9
133.63031	0.7
135.04539	1.7
140.01785	1.5
142.05135	3.4
149.02455	0.7
149.04265	0.6
152.03554	22.2
168.03043	13.0
170.04614	10.0
174.17616	0.6
196.02533	100.0
214.03603	19.1
257.04721	1.0
285.03964	1.2
289.14481	2.5
299.02136	0.7
300.02737	2.0
301.03091	1.2
315.05194	2.0
316.05481	1.6
326.96112	0.6
343.13821	2.5
348.09216	0.6
361.14658	3.2
369.09781	2.1
379.15958	4.7
403.04385	1.1
417.06091	1.1
439.17941	0.9
532.20123	1.0
571.26233	0.7
576.19055	3.2
594.20380	2.1
636.21509	5.8
654.01117	0.8
654.22363	6.2
655.14069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98822	3.5
69.78762	3.0
71.01379	6.7
73.02949	10.9
73.98311	4.6
80.05048	3.5
82.02975	11.4
83.01402	5.1
83.05038	5.6
89.00686	10.0
98.02492	35.7
101.02427	12.9
106.06593	3.6
108.04565	18.1
113.02470	5.5
115.02233	6.8
117.03450	3.1
119.05025	9.3
121.05342	17.1
122.02483	8.7
124.04057	13.0
126.05624	7.9
132.04555	23.7
134.06146	62.5
136.04102	4.7
136.07738	6.0
139.00386	3.8
142.05151	4.8
144.04518	12.2
145.05275	5.9
147.06927	6.2
149.04663	3.1
152.03548	20.7
152.07173	5.6
158.02409	4.1
158.06122	5.6
161.04581	5.3
162.05606	2.9
168.03058	10.2
170.04634	8.2
176.03502	14.8
188.03613	3.8
190.05087	11.4
194.08112	5.6
196.00702	4.9
196.02530	99.2
202.05074	4.2
203.05853	6.2
204.06624	6.0
214.03600	18.5
235.08759	8.2
236.09413	4.8
240.06754	3.9
249.10268	5.9
250.11153	3.6
251.11848	15.0
263.08060	5.6
277.09988	5.3
278.10669	8.5
279.08145	4.8
279.11404	37.2
285.04041	8.1
286.07211	3.7
294.10153	5.2
295.10843	12.3
302.21024	3.0
305.09241	5.2
306.10019	5.4
309.12399	8.2
310.13351	3.5
323.10373	53.0
337.11969	17.6
338.12677	25.1
341.11493	4.8
383.12482	21.4
397.14108	15.5
398.14743	54.3
416.76654	3.7
419.07687	3.6
430.13693	26.7
442.17599	3.9
459.17316	3.5
474.20404	14.0
502.19464	4.3
506.22998	54.0
519.20160	4.0
534.22589	18.1
566.25018	32.6
576.18762	4.8
578.21686	23.6
610.24072	59.6
611.24457	3.6
636.20758	4.6
654.22369	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	654.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42992	2.1
59.01385	100.0
59.71507	2.4
61.98838	3.3
73.04147	2.0
73.04646	2.7
74.65128	2.1
96.96038	8.0
103.01498	37.4
116.92888	2.5
117.05603	4.0
122.02508	51.2
125.60474	2.3
209.89476	2.4
222.07764	6.2
242.24718	2.6
265.14810	9.6
311.16721	3.1
332.06332	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	654.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.3
61.98837	100.0
64.22743	1.6
71.01391	3.0
85.55704	1.9
89.02454	3.1
98.02560	1.9
98.18843	2.0
101.02477	3.3
119.05022	2.3
232.37300	2.0
235.08391	2.0
255.23404	6.2
256.23761	3.0
278.82596	1.8
282.68359	2.2
397.13721	3.9
415.14456	2.2
444.48053	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	654.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22184	2.1
59.01384	70.5
61.98841	13.9
62.15527	2.0
68.67113	2.1
70.22188	2.1
71.01020	3.1
71.01392	39.4
73.02938	4.9
78.95900	2.8
80.91697	3.8
83.01379	3.2
85.02953	22.0
87.00890	5.3
89.01940	3.2
89.02458	42.8
97.02962	45.3
99.00893	5.2
101.02452	27.6
104.27419	2.7
108.02170	3.3
113.02457	18.7
117.03449	4.8
119.03519	19.4
119.05037	8.6
119.08672	2.9
122.02512	2.6
123.04466	3.3
123.25606	2.1
125.02342	2.4
131.03468	3.1
135.04524	5.1
137.06093	9.6
143.03474	5.6
161.04575	23.6
163.07613	3.2
179.05640	14.7
203.70485	2.2
209.11845	2.8
214.02754	2.7
235.08247	40.1
257.04547	7.3
267.17584	3.6
283.17001	2.8
285.18655	5.3
293.15466	8.8
311.16617	11.9
329.13644	5.2
329.17606	100.0
330.18011	4.1
401.06564	3.7
408.86072	2.4
419.07703	12.8
472.45676	2.4
491.22809	6.1
581.70044	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	654.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73043	0.5
59.01384	100.0
64.84753	0.5
71.05025	3.0
78.03513	0.8
99.04515	5.4
99.42717	0.5
102.78323	0.5
107.36094	0.5
117.05592	37.2
118.05959	0.8
122.02494	54.8
141.05586	1.0
159.06642	16.8
202.68042	0.5
311.16687	0.9
378.16983	0.6
418.81351	0.5
580.44928	0.5
594.27087	7.5
615.53009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27498	0.7
59.01385	100.0
64.74091	0.8
67.00726	0.8
67.96729	0.8
71.05027	3.4
78.03510	1.7
99.04527	3.6
110.42997	0.8
117.05596	36.3
121.02988	0.9
122.02498	61.3
141.01695	1.9
159.06653	16.1
237.51173	0.9
311.16345	0.9
471.23389	1.5
532.30859	1.0
594.27252	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	655.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35281	0.6
54.44277	0.6
57.03444	0.9
59.01386	14.0
67.01896	1.0
68.99836	0.7
69.36975	1.4
69.37382	2.3
71.01385	9.3
72.99313	10.1
73.02955	3.9
75.00862	1.1
83.01382	1.4
85.02963	9.5
87.00906	1.0
89.02452	3.1
92.31114	0.6
94.19812	0.6
95.01398	2.4
96.96060	0.9
97.02972	0.8
99.00912	1.7
101.01878	0.8
101.02444	4.1
102.03244	0.6
103.00402	3.6
103.70871	0.6
111.00885	1.1
113.02464	16.1
117.03480	2.2
119.03518	0.7
119.04999	1.2
129.02003	0.6
131.03531	3.2
133.01471	0.8
135.04472	0.7
137.77199	0.7
143.27219	0.7
145.02963	1.4
163.00301	0.8
164.98376	0.8
169.06491	1.0
171.04550	1.4
175.02556	3.7
185.06099	2.7
187.04050	3.4
193.03548	23.6
196.02525	1.9
211.04022	0.9
212.64102	0.8
213.05615	7.0
215.03563	1.0
229.05058	1.9
239.03615	1.7
240.04237	1.2
241.05022	2.5
255.03082	1.4
257.04535	2.7
258.91644	0.7
275.27478	0.7
283.02493	1.5
284.03296	3.1
285.04074	100.0
286.04468	6.5
297.11798	3.3
335.43732	0.7
375.20325	1.1
401.87222	0.6
417.06479	1.6
419.07864	1.3
461.07315	63.0
462.07849	3.3
655.14600	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	655.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03456	3.7
59.01385	11.0
67.01900	1.1
68.99832	0.9
69.03442	1.0
70.37864	0.5
71.01386	11.9
72.99307	10.2
73.02956	3.9
75.00878	18.3
80.38374	0.5
83.01392	2.1
85.02957	24.7
87.00883	3.9
89.02438	3.5
89.42762	0.5
95.01394	6.2
96.96033	0.6
97.02967	2.3
99.00887	29.8
101.02458	2.9
103.00385	3.4
109.02977	0.6
111.00893	13.4
113.02460	34.3
115.00375	1.8
117.01901	1.4
117.03518	0.8
123.00905	4.6
124.30858	0.5
125.02451	0.8
128.95808	0.4
129.01930	2.0
131.03493	1.8
133.01428	0.9
133.02963	1.3
135.04533	2.0
139.00386	15.2
140.01166	1.2
141.01955	62.0
142.02286	0.7
153.01959	2.5
157.01437	1.9
161.02457	5.9
166.99834	0.5
168.62315	0.4
175.02504	6.7
175.03970	1.2
183.60330	0.5
184.90918	0.5
193.01776	0.9
193.03540	11.3
235.04590	1.8
285.04105	2.0
303.05121	19.6
351.05698	100.0
352.05951	3.4
479.08786	0.6
493.08490	1.0
561.75708	0.7
609.56226	0.5
655.11639	9.1
656.11700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94198	0.9
59.01379	7.5
71.01384	3.3
71.37025	1.1
72.96719	1.2
85.02964	1.5
89.02438	1.7
98.02491	1.4
98.22614	3.5
101.02441	2.1
111.00901	1.2
113.02472	1.8
117.03502	6.1
119.05036	2.9
133.02966	2.5
135.04504	2.4
139.00351	1.2
152.03587	1.4
168.03181	1.3
171.04436	1.2
185.13293	1.3
188.23654	1.1
196.02588	5.4
199.04016	3.8
201.05565	1.2
211.03966	1.3
225.05623	2.3
227.03500	10.7
233.08211	1.2
235.06218	1.1
237.07742	1.2
238.02686	1.3
251.03557	5.8
253.04842	1.7
255.02963	16.7
257.04489	3.9
269.04504	1.9
271.02448	2.9
279.02927	9.0
280.03680	2.2
283.02475	3.2
296.03333	3.2
297.04028	14.2
297.11938	1.4
299.02148	1.5
301.03537	16.5
393.06271	2.2
399.05524	1.4
403.04578	1.6
415.79581	1.4
417.06180	100.0
418.06476	4.8
419.07901	2.7
475.27164	1.7
491.10156	2.2
606.54993	1.4
637.13000	1.8
655.14502	37.3
655.31342	1.5
656.15179	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
59.01373	4.8
65.00336	9.1
65.99845	2.5
71.01374	1.9
81.03470	1.8
83.01373	3.1
93.03469	3.8
93.55006	1.4
95.01409	2.9
96.00919	2.3
96.95995	1.5
96.99329	1.8
98.02491	4.0
102.05624	6.2
107.81451	1.4
108.02161	1.8
108.04575	1.8
109.02956	4.6
110.02492	3.5
111.00895	9.6
111.04533	10.1
113.02452	1.8
117.03489	3.3
119.05035	2.4
121.02966	2.2
122.02504	2.9
123.04499	3.7
124.04040	2.1
125.02465	2.6
126.01995	3.1
135.04561	8.0
136.00395	3.4
136.04039	7.3
136.98807	10.0
137.02400	2.8
138.01956	7.0
139.00404	10.4
139.02750	1.8
140.03554	10.3
149.02469	2.8
151.04016	3.0
152.03586	2.6
156.08234	2.2
158.03708	3.3
159.04552	4.2
160.01671	2.2
160.04042	1.6
161.02452	16.8
161.04761	1.6
162.02036	1.9
164.03534	2.3
164.98288	13.0
166.01414	1.6
167.03532	3.9
171.04573	3.2
175.04018	3.0
178.04982	1.6
179.03442	2.1
180.03021	6.5
182.06111	3.8
184.07684	3.3
196.07712	1.6
198.09186	1.6
200.10828	1.7
201.05653	2.4
203.03421	1.5
204.03035	2.4
208.07808	2.3
210.05586	1.8
220.07646	2.0
225.05627	1.6
226.08762	5.9
228.06744	1.9
228.68712	1.9
234.09497	1.7
236.07014	2.2
238.08694	2.2
240.06703	2.8
241.05043	7.0
248.07355	1.5
250.08736	5.0
252.06718	12.8
255.03154	1.7
262.08789	3.5
264.06680	3.3
268.09909	5.1
269.04517	40.0
269.07098	2.7
271.06012	3.6
276.10165	2.5
278.08252	2.6
280.06262	9.5
280.09061	2.2
282.07678	4.4
283.02463	2.2
285.04276	3.7
292.09778	3.6
294.07813	3.8
297.12497	1.9
304.09650	1.8
306.07846	2.4
318.11331	2.0
319.10904	2.1
320.09097	3.4
324.08762	3.8
344.12863	2.0
345.08960	2.4
381.10959	6.3
384.07352	2.6
389.11273	1.9
392.07843	2.2
412.11810	5.4
431.12589	2.3
451.11203	3.4
475.11163	3.8
479.13205	3.3
493.12607	43.8
494.12985	3.0
498.11560	1.9
510.12231	8.1
528.85004	1.9
554.11127	6.2
562.49872	1.7
593.16156	2.1
637.14838	8.2
655.15704	100.0
656.16400	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	655.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
59.01373	4.8
65.00336	9.1
65.99845	2.5
71.01374	1.9
81.03470	1.8
83.01373	3.1
93.03469	3.8
93.55006	1.4
95.01409	2.9
96.00919	2.3
96.95995	1.5
96.99329	1.8
98.02491	4.0
102.05624	6.2
107.81451	1.4
108.02161	1.8
108.04575	1.8
109.02956	4.6
110.02492	3.5
111.00895	9.6
111.04533	10.1
113.02452	1.8
117.03489	3.3
119.05035	2.4
121.02966	2.2
122.02504	2.9
123.04499	3.7
124.04040	2.1
125.02465	2.6
126.01995	3.1
135.04561	8.0
136.00395	3.4
136.04039	7.3
136.98807	10.0
137.02400	2.8
138.01956	7.0
139.00404	10.4
139.02750	1.8
140.03554	10.3
149.02469	2.8
151.04016	3.0
152.03586	2.6
156.08234	2.2
158.03708	3.3
159.04552	4.2
160.01671	2.2
160.04042	1.6
161.02452	16.8
161.04761	1.6
162.02036	1.9
164.03534	2.3
164.98288	13.0
166.01414	1.6
167.03532	3.9
171.04573	3.2
175.04018	3.0
178.04982	1.6
179.03442	2.1
180.03021	6.5
182.06111	3.8
184.07684	3.3
196.07712	1.6
198.09186	1.6
200.10828	1.7
201.05653	2.4
203.03421	1.5
204.03035	2.4
208.07808	2.3
210.05586	1.8
220.07646	2.0
225.05627	1.6
226.08762	5.9
228.06744	1.9
228.68712	1.9
234.09497	1.7
236.07014	2.2
238.08694	2.2
240.06703	2.8
241.05043	7.0
248.07355	1.5
250.08736	5.0
252.06718	12.8
255.03154	1.7
262.08789	3.5
264.06680	3.3
268.09909	5.1
269.04517	40.0
269.07098	2.7
271.06012	3.6
276.10165	2.5
278.08252	2.6
280.06262	9.5
280.09061	2.2
282.07678	4.4
283.02463	2.2
285.04276	3.7
292.09778	3.6
294.07813	3.8
297.12497	1.9
304.09650	1.8
306.07846	2.4
318.11331	2.0
319.10904	2.1
320.09097	3.4
324.08762	3.8
344.12863	2.0
345.08960	2.4
381.10959	6.3
384.07352	2.6
389.11273	1.9
392.07843	2.2
412.11810	5.4
431.12589	2.3
451.11203	3.4
475.11163	3.8
479.13205	3.3
493.12607	43.8
494.12985	3.0
498.11560	1.9
510.12231	8.1
528.85004	1.9
554.11127	6.2
562.49872	1.7
593.16156	2.1
637.14838	8.2
655.15704	100.0
656.16400	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	655.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68160	0.6
64.01916	2.4
65.00317	1.5
65.99853	12.1
68.99815	1.3
69.97189	1.4
81.02242	0.8
88.01913	1.2
93.03500	1.5
96.00938	1.7
98.02501	1.0
98.15781	0.6
98.22011	0.8
103.00649	0.7
108.00901	1.6
109.01707	3.3
110.00118	0.8
110.02487	2.3
119.05020	1.3
120.00925	3.4
121.01709	2.2
122.02478	0.7
123.03294	3.3
133.01704	1.4
134.02499	3.4
135.03282	3.3
136.00403	9.9
138.01988	1.9
151.02744	3.8
154.02910	0.6
155.02180	0.7
161.01288	0.7
163.99902	7.2
165.00710	9.7
166.01505	0.7
171.04527	2.1
173.06047	0.9
175.99863	4.7
178.01463	0.9
182.02522	1.1
187.99852	0.7
192.03032	2.2
196.04068	2.8
200.07327	1.1
208.04050	1.6
210.02028	0.8
212.03563	0.7
224.03468	1.4
224.07178	1.2
225.04225	0.6
226.08768	1.5
228.06717	1.3
236.03606	3.3
238.05157	1.2
240.06618	0.6
242.08253	26.5
243.08684	0.9
252.03073	1.6
252.06694	1.8
254.04628	0.8
268.06174	25.7
269.06918	8.9
270.07730	81.5
271.08026	2.3
280.02542	26.7
280.06152	15.8
281.03146	1.9
281.06418	0.6
282.04227	1.6
342.07678	3.1
356.09344	1.3
358.10672	0.8
374.10422	0.9
384.08804	100.0
385.09140	5.9
386.10355	10.1
637.16235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40468	0.7
59.01389	1.6
65.00334	2.0
65.99863	1.3
69.80055	2.5
81.03468	12.8
82.02982	1.4
92.99834	1.0
93.03436	1.1
96.95998	1.0
110.00119	1.1
110.02496	1.0
117.07081	0.8
119.05021	1.9
120.00182	0.8
120.00894	5.2
121.06643	2.2
122.06136	1.7
124.04041	5.6
130.04251	0.9
133.01759	0.8
133.02943	0.8
135.03322	0.9
135.04492	0.9
136.00420	3.1
136.98831	1.6
138.01993	1.4
139.00307	1.2
143.05057	1.3
145.06610	21.0
146.06047	1.4
148.98831	0.8
149.01289	1.0
149.02437	1.0
150.01918	1.1
152.01178	1.6
163.99883	5.6
164.98312	3.7
165.00618	1.5
165.98654	1.2
166.99892	0.9
171.04578	2.2
172.05246	0.9
176.03676	0.9
177.00645	1.2
182.53969	0.8
185.09651	1.5
187.07672	2.8
188.07283	1.4
190.01286	1.1
191.99391	6.9
192.03079	1.6
204.03001	1.1
205.00209	1.9
209.09827	1.2
211.07632	1.2
218.00941	4.5
224.07227	1.6
225.05598	2.3
226.05125	1.6
227.10825	1.7
235.25388	0.8
240.06656	3.1
241.05028	1.5
242.08243	8.6
243.06682	2.5
244.06941	2.3
252.06689	1.4
253.05093	2.0
254.04646	2.6
255.06886	0.9
265.08804	1.2
268.06192	18.2
269.04495	8.5
269.06836	0.9
270.04919	5.7
270.07782	15.0
270.11380	24.4
270.14166	1.7
271.06049	13.4
271.11447	0.8
272.06509	8.3
280.06226	0.9
282.04950	0.9
296.05652	100.0
297.06003	3.5
308.09390	3.8
324.05075	1.8
326.10297	2.3
352.04626	59.5
353.04916	3.3
356.07913	1.3
370.09433	3.1
371.09518	3.0
384.07263	79.7
385.07501	4.5
517.12408	1.0
554.11731	1.0
605.15381	1.6
623.16595	1.4
655.19196	9.1
656.19550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
65.00325	3.1
65.99847	2.5
68.99820	4.3
69.13017	4.8
73.02964	0.8
81.03436	1.6
82.02982	6.1
83.01378	1.2
85.02962	4.2
93.03481	1.7
94.03013	1.1
95.01399	2.8
96.00950	1.6
96.04507	0.7
96.96027	1.0
98.02504	2.8
100.04066	2.5
101.02445	3.2
109.02980	1.0
110.02499	5.2
111.00879	2.8
112.04076	1.2
119.05071	1.1
120.00937	1.5
121.02990	1.0
121.06620	1.1
122.02502	2.0
123.03268	5.5
124.04015	1.4
126.02026	1.3
128.03543	1.1
128.44974	0.7
129.52614	0.7
131.04997	1.1
134.02496	6.5
135.00960	0.8
135.03276	6.0
135.04431	1.8
136.00424	5.0
136.04042	2.1
136.98830	2.0
137.02466	1.9
138.01981	3.1
139.00398	2.6
143.05032	1.0
148.04045	2.2
149.02371	0.9
151.02757	6.4
151.04002	2.0
152.01123	0.8
152.03511	1.5
155.02325	1.2
156.03035	10.3
156.08232	0.9
157.06590	1.8
160.04027	1.0
162.02040	0.7
163.99944	3.4
164.03548	1.0
164.98436	0.9
165.00667	2.9
165.05515	1.2
166.01442	2.3
166.05119	1.2
168.03090	1.0
171.04544	4.2
173.03770	0.9
176.03458	1.1
177.02023	0.9
178.01442	1.3
178.04985	0.9
180.03004	1.9
180.08249	1.5
182.04578	2.3
184.07689	1.8
190.01408	1.3
192.03061	5.0
194.04628	0.9
197.06140	1.5
199.07661	1.4
200.07248	1.7
204.08142	1.0
206.09703	1.5
208.02507	4.2
208.07712	1.6
209.06075	0.9
212.05688	1.9
213.05634	0.8
218.00914	0.8
220.07779	0.7
221.09813	0.8
222.03836	0.9
222.09344	0.9
224.07220	2.9
225.05603	3.3
226.08693	4.6
228.06642	2.1
232.07864	1.0
236.01968	1.2
242.08260	51.6
243.08592	3.0
248.07297	1.6
250.08751	2.1
251.07126	1.3
252.06610	3.8
253.05045	1.8
255.06726	1.2
266.04501	1.0
268.06186	8.0
268.09106	1.0
269.04443	1.6
269.06931	2.1
270.07733	100.0
271.08173	4.9
276.06702	1.5
278.08209	0.8
280.06277	3.4
290.08121	1.7
294.07715	4.7
296.05646	10.7
302.08246	1.2
306.07770	0.9
307.09760	1.1
308.09082	0.9
310.07675	0.8
322.07324	1.1
350.10400	0.9
352.04822	1.5
352.08292	2.8
354.98810	0.8
364.08496	1.2
380.13068	4.9
382.10501	1.4
384.07187	2.4
384.11478	1.5
398.14005	26.2
399.14230	2.3
416.11359	0.8
424.11469	1.1
433.10590	1.0
445.10413	1.2
447.08432	1.1
466.12949	23.9
467.13239	2.7
478.12906	2.2
489.09448	7.3
494.12369	10.9
498.15637	3.5
508.13727	2.1
522.12000	3.6
561.16870	2.2
605.15851	3.2
611.20361	0.9
619.16455	1.7
623.16644	10.5
637.18079	2.6
655.19348	37.9
656.20068	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	655.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95443	1.0
65.99855	1.3
69.80538	1.2
69.80885	3.4
81.03464	1.2
98.22521	1.5
110.02467	2.2
120.00889	4.0
123.03272	3.7
124.04021	1.5
134.02498	4.0
135.03275	5.1
136.00410	3.0
138.01968	2.2
145.06610	2.2
151.02760	5.5
163.99922	3.3
171.04469	1.9
177.56444	1.0
181.06552	1.0
186.60068	1.0
191.99469	5.3
192.03078	3.9
193.08850	1.7
197.04573	3.0
218.00998	3.7
225.05646	1.9
226.05237	1.7
226.08708	1.3
228.06657	2.8
240.06683	3.3
242.08234	42.8
243.08612	1.6
252.06653	1.3
254.04839	1.0
265.08707	2.1
268.06210	8.3
270.07727	100.0
271.08087	6.7
296.05658	60.8
297.05975	3.4
308.09296	3.1
326.10440	1.1
458.98227	1.1
480.17484	1.3
481.06992	1.2
567.17615	3.2
605.15521	2.5
623.16779	1.3
638.16663	7.4
639.16632	1.5
655.19385	81.8
656.19623	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	655.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11676	0.5
58.42919	0.7
62.51466	0.5
65.99862	1.3
68.30546	0.5
68.99820	0.7
69.83418	1.8
76.96164	0.5
81.03469	1.0
82.68389	0.5
96.00935	0.9
97.57021	0.5
102.40987	0.5
110.02512	3.0
117.03490	0.7
120.00934	4.5
122.02512	1.5
123.03260	3.9
124.04065	1.5
130.05438	0.5
133.06685	0.6
134.02472	5.0
135.03293	6.7
136.00429	3.0
136.04004	0.8
138.01996	2.5
138.03168	0.7
145.06618	2.4
148.98877	0.9
151.02777	5.0
155.02318	0.8
157.06657	1.2
159.04523	1.1
161.02458	0.7
163.99921	4.2
166.01463	2.2
171.04518	1.9
179.02148	0.8
187.11212	0.5
191.07103	0.9
191.99382	6.3
192.03035	3.9
197.04619	3.8
197.06140	0.8
199.07587	0.9
200.07155	1.4
204.03008	0.6
205.00201	1.3
218.00955	3.8
224.07222	1.8
225.05640	1.6
226.05104	1.5
226.08737	2.5
228.06650	2.0
240.06729	3.5
242.08255	49.3
243.08578	2.2
252.06769	2.7
253.04993	0.9
254.04654	1.7
265.08719	1.5
268.06186	9.7
270.07733	100.0
271.08035	6.3
280.05972	0.7
296.05664	57.8
297.06018	2.9
308.09256	2.0
326.10278	1.1
350.55011	0.5
442.12772	0.6
474.28537	0.5
483.14233	0.7
486.86261	0.6
567.17468	1.3
623.16248	1.0
638.16736	21.0
639.16681	2.8
655.19373	72.7
656.19586	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	655.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.5
65.00311	1.8
65.95481	1.2
65.99861	2.2
68.99828	2.5
69.94514	3.4
81.03452	2.0
83.01363	1.6
98.02496	1.8
98.21877	1.2
110.02476	3.3
115.05528	1.2
120.00916	4.9
120.30862	1.1
122.02482	1.9
123.03259	4.3
134.02475	4.3
134.57759	1.3
135.03314	7.7
135.04141	1.3
136.00423	6.4
136.04089	1.9
138.02005	3.4
138.74448	1.1
143.05028	1.5
145.06593	2.3
151.02763	7.0
157.06587	1.7
158.81129	1.3
163.99892	4.3
165.00668	2.9
166.01488	2.0
171.04596	3.5
171.33168	1.1
173.06126	1.3
180.02994	3.5
191.99403	3.5
192.03009	4.3
197.04576	3.7
200.07222	2.1
205.00105	1.2
218.00955	2.7
224.07159	1.4
225.05634	2.1
226.08708	2.9
228.06514	1.9
240.06717	3.0
242.08255	48.3
243.08540	3.6
252.06660	2.8
255.06659	1.9
265.08646	2.6
268.06165	13.6
269.06931	1.9
270.07736	100.0
271.08044	4.6
278.08261	1.6
280.06271	2.1
294.07706	4.2
296.05673	63.8
296.09048	3.0
297.06067	2.8
299.05255	1.4
309.08893	1.5
354.09702	2.0
355.10165	1.5
370.09213	1.5
398.14020	10.1
412.12045	3.0
517.12659	3.7
549.15558	1.4
567.17181	1.5
605.15265	2.4
623.16632	6.3
637.18011	1.5
638.16772	14.3
655.19397	75.4
656.19843	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	655.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22120	1.0
69.98286	2.0
69.98615	1.2
75.01300	1.1
81.03461	4.4
98.02518	1.2
110.02488	2.6
120.00923	6.0
123.03262	2.3
124.03994	1.5
127.00652	1.0
134.02455	2.6
135.03270	3.3
135.04492	1.6
136.00406	3.9
138.01947	1.7
145.06604	4.0
149.01199	1.3
151.02776	3.1
157.75732	1.1
161.02452	1.7
163.99933	5.6
166.01474	2.5
171.04555	2.8
177.00604	1.4
178.04973	1.0
180.02971	1.2
191.99382	9.2
192.03070	2.6
197.06100	1.4
218.01009	5.0
224.07265	1.5
225.05707	1.8
226.05107	2.9
226.08633	2.0
240.06671	6.6
242.08237	37.5
243.08546	1.9
252.06667	1.9
254.04462	2.9
265.08737	10.0
268.06149	15.5
270.07733	91.6
271.08005	4.8
296.05655	100.0
297.05957	3.7
308.09210	4.9
326.10321	8.9
352.08261	2.2
440.89850	1.3
442.12949	2.0
445.13989	1.3
466.12326	1.1
558.57062	1.0
567.17651	5.9
605.15710	13.2
606.16205	1.5
623.16833	3.1
655.19373	89.3
656.19757	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	655.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99162	0.6
59.84613	0.7
63.75749	0.6
65.00327	2.8
65.65657	0.6
65.99850	2.6
68.99818	2.8
69.11031	4.8
82.02979	3.8
83.01431	0.8
85.02952	2.5
93.03476	2.1
94.02959	1.0
95.01398	2.0
96.00922	2.5
96.02161	0.8
98.02480	1.9
98.21884	1.2
100.04053	1.7
101.02470	4.0
106.03008	0.8
107.05045	2.6
108.00925	1.2
109.01720	1.2
110.02498	4.2
111.00903	3.6
111.04549	1.6
112.04085	1.0
117.03499	1.1
120.00937	1.1
121.02998	1.0
122.02478	1.8
123.00869	0.8
123.03283	4.6
124.04077	2.0
128.03549	1.9
131.05023	0.8
134.02499	8.9
135.03267	5.4
135.04523	1.9
136.00435	6.7
136.01469	1.1
136.04021	1.8
136.98785	1.3
137.02490	0.9
138.02013	3.8
139.00407	3.9
141.07123	1.0
143.05038	3.1
148.04012	2.1
150.01944	1.3
151.00247	0.8
151.02768	5.6
151.04007	2.7
153.99049	1.0
154.99893	2.9
155.02315	1.1
156.03052	7.0
156.08200	1.0
157.06580	1.4
160.04051	1.0
163.99966	3.4
164.01056	0.8
164.03595	0.9
165.00647	2.7
166.01480	2.0
166.05132	5.8
168.03052	1.3
171.03197	0.8
171.04530	3.1
176.03532	2.7
177.01939	1.9
178.01445	0.9
178.05055	1.0
180.03072	1.7
180.08195	1.6
182.06044	0.7
184.07675	1.6
185.06097	1.1
187.07700	0.8
190.01460	0.8
192.02989	4.0
194.04666	1.5
196.48845	0.7
197.06116	1.2
199.07712	1.1
200.07126	0.9
202.99985	1.5
207.08176	0.8
208.06142	4.6
209.06081	1.2
212.05608	2.4
213.05614	0.9
220.07709	1.0
222.04016	1.2
222.09244	0.8
224.07216	2.6
225.05611	2.3
225.09213	0.9
226.05101	1.3
226.08795	4.2
228.06676	2.0
234.09256	1.6
240.06712	1.5
241.05095	1.7
242.08241	45.5
243.08667	2.3
248.07217	1.1
250.08765	1.8
251.07173	2.6
252.06625	3.7
253.05022	0.9
255.06604	2.8
261.05124	1.0
268.03430	0.9
268.06158	11.6
268.09750	2.1
269.04193	1.0
269.06876	2.5
270.07733	100.0
271.08136	4.2
278.04971	0.8
278.08154	1.7
280.06097	1.6
283.06223	0.9
290.08224	1.6
291.08804	1.1
294.07782	3.0
296.05692	4.1
304.09494	1.0
308.09509	1.2
312.08569	0.8
320.05887	1.0
330.08148	0.8
336.09000	1.7
352.08359	5.7
352.12109	1.1
364.08163	1.7
366.10156	0.9
370.09332	0.8
380.12979	4.7
382.10428	1.7
382.14560	2.6
384.10968	1.3
398.13995	19.0
399.14352	1.4
400.15787	0.8
424.11960	1.4
450.13315	4.9
466.12964	19.4
467.13519	2.7
475.08551	1.2
482.13889	0.9
492.09341	1.8
493.09558	2.2
494.12466	8.9
498.15698	2.1
499.15881	1.0
500.15213	1.1
508.14124	2.5
518.16003	1.3
522.12030	5.9
537.17102	1.6
549.16663	1.1
550.15704	0.8
551.17786	0.9
561.16504	2.5
577.15985	1.0
579.16962	1.0
605.15747	6.5
623.16663	8.7
623.38336	0.9
637.18231	2.6
655.19415	43.8
655.28259	1.7
656.19708	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	655.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79927	0.3
65.00336	0.4
65.99851	0.5
68.99814	0.5
69.35349	1.1
69.35772	0.7
84.01749	0.3
94.02941	0.3
96.00879	0.4
96.96024	1.1
98.02467	0.7
98.21851	0.6
110.02460	2.8
117.03437	0.4
120.00909	1.4
122.02489	1.1
123.03294	4.2
124.00422	0.5
134.02489	5.1
135.03291	5.8
136.00441	2.3
138.01976	2.6
145.06563	0.8
148.46350	0.3
151.02777	4.9
152.03253	0.4
155.02240	0.9
161.02464	0.5
163.99878	1.5
166.01460	1.6
166.64665	0.3
171.04529	0.5
173.06070	0.8
179.02390	0.7
191.99406	1.1
192.03050	2.7
197.06050	0.7
199.07784	0.5
200.07166	1.1
209.05988	0.5
218.01028	0.5
223.07639	0.4
224.07140	0.9
225.05605	0.7
226.08749	2.6
228.06651	1.5
240.06636	0.8
242.08257	40.4
243.08575	1.9
252.06886	0.7
253.05045	0.4
265.08722	1.7
268.06219	2.5
269.04486	2.4
270.07733	100.0
271.08151	5.0
296.05673	13.4
297.06012	0.6
308.09250	0.7
326.10370	1.6
351.10281	0.4
352.08301	0.6
526.24860	0.5
567.17566	0.6
605.15607	1.9
623.16284	0.4
655.19452	6.6
656.19550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22430	1.1
58.83390	1.3
59.01383	8.8
66.89943	1.2
68.21877	1.3
72.97557	1.9
73.98324	9.3
74.02483	3.0
82.02985	1.7
84.04533	2.1
86.02485	21.6
89.00686	35.5
95.18736	1.4
98.21790	2.3
112.45750	1.4
115.02251	30.7
123.21225	1.3
127.05147	4.2
127.08786	13.7
128.03558	100.0
153.06728	4.4
157.81180	1.2
171.07774	83.4
176.03900	3.1
177.03822	2.9
179.04663	1.6
197.05754	2.0
199.11412	1.3
210.11032	1.4
215.06740	20.7
221.05203	1.5
289.14386	3.7
303.61856	1.4
305.08112	5.9
343.13620	11.9
361.14972	11.1
379.15848	5.5
430.16891	3.9
448.18164	7.7
457.21078	1.7
466.19064	6.8
526.20758	2.4
559.21173	4.7
577.22430	14.7
595.23462	26.1
596.23615	2.6
680.31781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.8
59.01385	11.8
66.03490	0.8
67.55478	0.7
69.05150	6.2
72.97540	2.4
73.87569	0.7
73.98319	10.3
74.02481	2.9
82.02989	4.6
84.02175	1.6
84.04539	2.2
85.02973	1.9
86.01988	1.6
86.02489	24.3
87.02765	0.9
87.63550	0.8
88.04021	1.5
89.00678	33.0
93.03461	0.8
96.04550	1.2
96.96040	1.0
98.02470	5.3
108.04556	3.1
109.07728	1.4
115.02247	31.9
117.03479	2.4
119.05024	1.4
120.01291	1.3
124.04055	2.0
126.05624	1.3
127.05144	4.2
127.08792	15.0
128.03555	100.0
129.03876	1.2
133.02943	1.1
135.04501	1.2
142.05106	0.7
149.04318	0.7
149.70511	0.7
152.03546	3.6
153.06708	4.4
162.03249	3.2
165.05693	0.7
168.03036	2.3
168.21220	0.7
170.04613	1.6
171.07777	75.3
172.07887	0.8
176.03867	3.7
177.03877	2.4
177.05577	2.1
183.04364	0.9
196.02527	13.2
197.05713	2.4
197.43237	0.9
199.04013	1.2
199.11308	0.9
207.06587	0.8
214.03551	1.1
215.06747	20.3
227.03584	1.2
233.10103	1.2
242.02240	0.9
251.31781	0.8
255.03021	5.7
257.04593	6.0
268.99576	1.0
285.03967	1.4
289.14471	3.3
297.04160	1.0
305.08160	6.5
343.13812	9.8
361.14804	10.8
362.14825	0.9
379.15833	6.6
386.17706	1.5
393.06247	1.9
401.06485	1.5
403.04666	3.4
417.06186	5.9
419.08093	4.7
430.16910	3.5
448.18048	7.6
466.18808	8.1
477.14328	1.1
526.21216	1.2
559.21338	4.9
577.22363	16.2
578.21832	1.2
593.14526	1.0
595.23315	29.9
596.23657	2.9
611.16559	1.0
655.14703	8.2
655.25049	1.5
656.15314	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	655.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
59.01121	4.1
59.01389	38.7
61.98841	27.4
65.00323	5.1
68.99829	3.1
69.32238	7.4
69.32640	5.9
71.01379	8.6
72.99313	3.2
73.02943	3.8
75.29703	2.0
79.23653	2.2
79.95737	3.3
80.96500	2.7
83.01405	5.3
83.05038	2.6
85.02954	5.6
89.02444	3.8
93.03458	5.4
95.01349	2.8
96.96012	7.4
100.69020	2.2
101.02453	5.9
109.02976	2.3
110.00119	3.6
110.99219	2.4
111.00894	3.0
113.02482	5.4
115.92026	2.5
117.03471	16.9
119.05035	23.4
121.06648	4.0
122.02431	3.8
123.04520	5.7
133.03000	4.3
134.03748	3.2
135.04549	18.9
136.05278	8.7
136.98802	5.0
137.02444	4.1
139.00368	6.6
139.07654	12.5
150.06822	2.2
151.04077	2.3
153.02002	13.0
161.02377	4.1
163.00484	2.5
163.07687	3.5
164.98343	4.0
165.05592	5.2
165.09254	7.3
166.99879	4.4
173.06110	5.6
181.01431	5.7
181.08684	5.6
185.06035	5.1
186.03172	2.7
187.03972	3.7
191.03458	3.0
191.07098	4.2
193.04980	3.8
193.09100	4.8
201.05615	3.7
205.08669	3.7
207.06721	3.5
209.08081	2.6
209.11845	52.3
211.04056	5.7
213.05551	2.4
213.31244	2.3
214.02718	10.6
217.05069	3.8
224.39172	2.8
225.05562	2.3
227.03610	4.8
227.12898	3.3
228.04404	3.3
229.05052	6.1
233.08177	24.0
235.03908	2.7
239.03291	2.7
242.02202	16.6
251.09261	10.8
253.05203	2.8
255.02954	5.9
256.03683	3.4
257.04575	100.0
258.04895	6.6
269.04526	3.6
281.04376	2.6
283.02454	5.8
285.04230	5.2
287.05692	21.3
287.20206	4.3
299.05484	2.8
307.17856	2.1
327.21692	4.8
331.19159	44.9
339.08945	4.1
353.71512	2.5
373.20367	2.4
382.10513	10.3
392.05667	3.0
393.05954	6.4
400.59296	2.4
401.06598	21.7
402.07129	3.4
403.04730	18.8
417.06088	6.1
419.07797	77.5
420.08224	7.5
445.05640	4.3
475.30356	2.8
493.24677	32.3
493.31400	3.5
551.24933	6.5
567.13025	2.9
583.16504	7.1
585.14758	2.5
605.32800	2.6
611.25842	3.4
655.16522	5.0
655.29498	19.3
656.16327	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2974
Annotation	Tricalysioside E
Peak:m/z	Relative Intensity
51.43109	1.0
59.01370	4.7
63.69485	1.0
71.01378	1.7
101.02420	1.9
113.02497	1.2
121.39972	1.2
135.04471	1.4
151.99083	1.1
201.47260	1.2
217.12370	1.4
229.12262	3.0
239.58380	1.1
264.17566	1.0
271.16934	3.9
285.18619	6.3
287.20212	8.0
313.18216	6.2
331.19171	100.0
332.19464	3.5
345.20749	2.1
373.20367	6.3
386.13623	1.2
426.23410	1.3
493.24509	93.0
494.24625	6.8
535.25311	2.1
554.10712	2.5
655.17377	2.8
655.29712	64.9
656.29767	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	655.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18050	0.6
53.73094	0.6
56.99129	0.6
61.98841	1.0
67.19875	0.6
71.41536	0.6
72.99316	4.8
75.00881	100.0
85.06600	1.4
113.06100	0.9
115.04038	3.1
115.07661	1.0
118.96129	0.6
131.89166	0.6
135.04457	0.7
136.07750	1.3
139.04031	4.9
155.05202	0.9
163.07686	4.0
171.06648	6.5
229.15993	0.9
255.13954	2.2
273.12241	1.2
273.14987	9.7
275.44110	0.7
281.29428	0.7
445.22726	0.8
637.25201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2979
Annotation	Dicliripariside A
Peak:m/z	Relative Intensity
50.12585	0.5
59.01387	12.3
61.98819	1.1
68.06947	0.4
69.10845	2.8
71.01392	4.5
72.95589	0.4
73.02952	1.2
79.95756	0.5
83.01369	0.6
83.20010	0.4
85.02953	1.9
89.02458	2.4
93.03465	0.4
95.01421	0.4
96.96012	1.6
99.00849	0.5
101.02445	2.8
109.02921	0.5
111.00898	0.5
113.02451	1.9
119.03529	0.5
120.99712	0.6
123.04469	0.5
135.04489	0.9
139.00432	0.6
161.02444	1.1
164.98325	0.7
167.03546	0.8
175.03966	0.4
179.03508	0.5
181.05154	0.6
187.07651	1.0
199.07689	1.4
202.72598	0.5
204.07242	0.4
213.09099	0.4
221.02785	0.5
254.13211	0.7
255.02864	0.6
255.13956	2.0
257.15475	1.7
269.04465	0.6
269.15436	1.5
270.07614	0.8
287.16559	4.2
299.16684	0.6
313.17969	0.9
331.15442	1.2
331.19189	1.5
384.07242	3.6
393.38480	0.5
449.21884	8.2
475.23251	2.3
491.23138	0.9
493.24481	100.0
494.24783	5.7
655.29822	38.0
656.30176	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	656.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99640	0.4
59.01384	100.0
60.01711	0.6
61.98830	0.9
71.05032	1.4
73.85768	0.4
75.50377	0.4
76.17807	0.4
78.03498	1.5
97.06600	0.6
99.04525	1.4
100.07983	0.4
102.56617	0.4
113.06010	0.4
117.05595	10.9
122.02495	99.9
123.02798	1.6
141.04494	0.9
141.05589	14.7
159.06631	4.0
204.77849	0.4
260.27460	0.5
279.94128	0.5
353.01151	0.4
373.63321	0.4
454.22250	0.7
474.14999	0.5
596.28564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61787	0.8
57.03442	1.4
59.01394	5.4
61.98835	1.4
65.42198	0.9
69.03671	4.0
71.01377	2.4
83.01396	2.0
85.02965	2.0
87.61935	0.9
93.03454	2.2
95.01437	1.3
96.96045	1.7
97.06597	1.3
98.22614	2.0
99.04548	3.3
101.02474	1.1
108.33489	0.9
109.02951	1.7
113.02480	1.3
115.02287	1.3
117.03489	10.0
119.05006	5.1
123.04541	1.2
128.03531	4.1
135.04533	8.6
137.02541	1.9
141.55249	1.1
149.06100	2.0
151.07718	1.9
153.05612	1.5
159.04529	1.4
161.02469	1.2
161.04584	0.8
163.07704	1.8
164.98267	0.9
165.05586	2.2
171.07784	2.5
172.07993	1.0
173.02420	1.0
173.06091	4.9
175.04042	0.9
177.05591	1.0
183.04434	1.3
185.02455	1.0
185.06133	2.7
186.03307	1.3
187.04015	1.7
187.58824	1.1
191.07152	5.8
191.10721	1.0
193.08774	1.1
196.02472	1.0
201.05542	5.4
211.03984	3.8
211.09789	10.7
212.04816	0.9
213.01974	0.9
213.05634	2.6
214.02740	6.9
217.08617	0.8
226.02580	0.9
227.03566	2.3
228.04263	2.6
229.05164	4.3
235.09760	3.4
239.03535	2.3
240.04218	1.2
242.02232	13.7
243.02708	1.8
251.09337	2.9
253.01430	1.2
253.05092	2.2
253.10860	19.6
255.02963	2.8
256.03781	3.2
257.04575	95.6
258.04916	3.2
278.85703	1.1
281.04648	3.5
283.02505	3.3
285.04156	1.6
299.05518	2.5
310.01270	1.6
345.17117	1.7
359.20901	1.0
373.07370	1.7
393.06195	4.5
401.06680	44.4
402.06979	1.8
403.04630	26.5
404.05127	2.0
419.07767	100.0
420.08231	5.2
429.06027	1.3
445.05704	11.0
497.27158	1.3
639.15277	3.9
657.15674	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	657.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
61.98809	1.1
68.99791	0.8
69.10453	4.2
69.21171	0.5
71.01389	1.3
73.99208	0.5
83.01397	1.0
85.02923	0.8
93.03471	2.8
96.95999	2.4
98.22634	1.1
99.00881	0.8
99.04530	1.3
107.05038	0.6
109.02968	1.0
113.02424	1.2
116.47433	0.6
117.03470	8.1
119.05042	6.1
123.04553	1.3
125.02415	0.5
135.04549	3.8
136.80782	0.6
137.02480	2.8
143.05032	0.9
149.02458	1.3
149.06070	0.7
151.04025	1.8
152.07190	0.5
153.01913	0.6
159.04552	0.6
161.02452	1.4
164.98294	0.9
165.05588	0.7
167.03435	0.8
173.02379	0.7
173.06099	3.2
177.01929	1.9
177.05542	0.6
183.04486	0.9
185.02408	1.5
185.06123	2.9
186.03210	1.6
187.03931	1.0
191.07195	0.6
195.02971	1.1
196.02583	1.0
197.02551	1.0
198.03148	1.0
199.03967	0.7
201.05577	4.2
211.04007	3.6
212.04771	1.2
213.01984	1.6
213.05580	2.1
214.02744	6.6
227.03540	1.9
228.04272	1.7
229.05151	4.3
237.07715	1.3
239.03467	2.5
240.04266	1.1
241.01495	0.8
242.02214	11.8
243.02794	1.3
253.05132	0.9
253.10883	0.9
255.03012	2.0
256.03839	3.5
257.04578	79.5
258.04892	4.0
271.06198	0.9
281.04541	2.1
283.02527	1.1
285.04062	1.6
297.04089	0.6
299.05600	2.4
311.01682	0.6
325.03665	0.8
331.06046	1.2
375.05151	0.7
390.03867	0.9
393.06299	6.3
401.06650	4.4
403.04636	10.7
403.09521	1.0
404.04852	0.8
405.05811	0.7
417.19321	1.1
419.07770	100.0
420.08057	7.1
459.20319	1.0
535.19482	1.2
613.21838	1.9
639.15216	1.5
657.16071	8.3
657.25989	0.9
658.15802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23254	2.0
65.00330	2.6
65.99856	5.0
67.01878	3.1
68.14404	2.1
68.99839	3.4
69.80809	5.4
69.81171	2.8
83.01416	6.0
95.01408	2.3
98.02496	5.9
98.22653	2.3
99.00881	14.1
110.02483	3.6
111.00893	67.1
115.04054	4.4
120.00951	2.4
122.02492	3.4
123.03273	3.5
124.87476	1.9
125.02391	2.5
126.01987	3.3
130.80830	2.1
131.05048	6.6
133.01732	2.6
134.02505	6.4
135.03294	4.7
136.00459	4.3
138.01982	2.8
139.00403	44.5
143.03600	2.9
146.02513	4.4
147.04572	2.4
149.08673	1.8
151.02747	4.1
157.06625	2.4
160.04027	3.0
161.01234	4.6
163.99902	3.1
164.03572	3.3
165.00681	3.9
166.01463	2.7
171.03038	55.0
171.04449	4.0
175.99910	4.7
189.00635	14.9
190.01451	8.1
192.03023	2.3
201.05719	4.5
202.01532	2.9
207.04219	3.6
215.99437	3.1
228.06747	3.1
231.04176	2.0
240.18498	2.0
241.24547	2.1
242.08237	42.7
243.08641	3.2
245.04617	8.4
246.53674	2.0
248.10704	2.0
252.06468	9.1
254.05930	2.5
255.06847	2.1
259.06140	5.8
266.08530	2.6
266.96231	1.8
268.06256	7.7
269.06931	3.2
270.07736	66.6
271.08099	6.7
277.07184	100.0
278.07632	5.5
280.06198	9.9
288.01321	2.3
292.09647	3.7
293.07025	8.0
294.07785	20.7
296.05695	5.3
308.09222	3.7
312.08719	9.6
319.08826	1.9
320.05786	14.2
335.10577	12.1
336.08890	5.8
348.08865	6.0
353.11548	12.9
357.93344	3.3
364.08234	8.2
365.08569	2.5
372.95901	2.5
377.11453	7.6
379.09369	65.3
392.07794	28.4
418.12961	8.6
421.10468	5.8
424.11703	2.9
480.10965	20.5
498.11984	35.8
499.11740	2.6
507.14404	6.1
530.14502	2.9
551.13721	3.4
553.92761	2.3
581.16254	3.7
595.17224	3.2
607.15369	2.3
613.18365	16.0
625.15289	3.5
639.15662	2.2
656.50940	2.1
657.17334	25.8
658.17487	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	657.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45974	1.4
57.68368	1.5
59.01385	72.9
63.75072	1.4
71.01383	4.7
73.09844	1.7
85.02974	1.6
89.02433	3.4
96.92573	1.4
96.96016	2.4
101.02442	2.6
105.93731	1.6
124.72816	1.5
134.14153	1.5
137.02431	4.4
151.04059	1.6
161.02463	6.7
162.43500	1.6
165.01942	39.7
176.04831	3.2
177.01971	3.1
179.03543	11.7
180.04297	27.8
192.04254	2.6
194.05864	6.6
195.06639	50.6
196.06944	2.1
197.36937	1.5
207.06662	2.6
209.08215	27.4
210.05377	9.2
225.07701	100.0
225.67300	1.7
226.08003	3.9
283.17053	1.7
315.19604	2.1
337.07224	1.9
435.16467	8.4
477.24918	33.8
495.26059	9.2
577.15833	1.8
657.31317	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.02148	0.8
79.01883	1.0
96.96030	2.6
137.02483	3.5
151.04002	1.3
161.02429	5.4
165.01945	34.6
176.04781	3.3
179.03513	20.1
180.04308	25.3
194.05843	12.0
195.06633	45.3
198.99239	2.2
199.04140	0.9
209.08202	26.4
210.05322	6.5
210.08543	1.3
213.87645	0.9
225.07693	84.9
226.08057	2.5
337.07150	1.1
337.40482	1.1
357.09750	2.9
372.12149	4.9
387.14520	29.3
388.14835	1.9
421.99619	1.0
435.16647	23.8
436.16974	2.1
491.32568	1.0
525.22839	1.0
577.15900	2.6
657.11237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91946	1.0
59.01369	3.8
68.09566	0.8
69.11787	4.0
81.71487	0.8
89.46194	0.9
96.96056	1.9
98.22604	1.8
101.02490	1.0
109.02955	1.3
119.05006	0.9
123.00871	1.0
124.01685	2.8
137.02425	1.4
138.03261	1.4
139.04018	4.7
145.02966	2.5
147.04510	1.2
151.00378	11.8
152.01077	1.5
153.05632	1.3
160.01639	1.1
161.02444	1.4
163.04031	2.5
166.02737	38.8
167.03410	2.7
173.02493	2.2
174.03149	1.5
175.03992	5.3
176.04543	1.1
177.05496	1.6
178.06332	1.3
181.05086	57.1
181.91464	0.8
182.05420	1.7
189.05641	1.9
190.06363	6.7
191.07120	1.6
193.05110	5.4
205.08711	6.6
206.06293	0.9
207.06653	2.0
208.07387	5.2
222.23300	0.9
223.09753	14.3
232.80328	0.9
260.49048	1.0
269.04605	2.7
280.50366	0.9
284.06845	1.7
297.04056	10.1
309.07663	1.2
312.06439	15.9
327.08771	25.9
328.08817	1.1
342.11099	40.9
343.11514	2.0
357.13455	66.2
358.13895	4.5
364.99747	1.5
375.14529	15.9
376.14618	1.3
387.14737	1.2
405.15573	100.0
406.15927	4.9
417.15607	8.4
418.16388	0.9
435.16742	9.1
567.20728	3.6
635.33838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.1
61.98845	2.3
69.58842	4.6
80.05029	2.3
87.83401	1.6
90.63974	1.5
94.06628	15.8
103.01510	1.5
107.03775	3.5
116.92924	2.1
117.03437	1.7
119.05023	5.3
120.08215	12.5
122.06134	100.0
132.04535	2.5
134.06108	1.6
135.04544	2.2
160.04007	1.9
174.05574	3.1
190.05156	2.9
193.08696	1.9
209.11807	2.7
223.06195	1.9
223.08809	6.4
225.10252	2.4
235.08551	2.1
235.12515	1.7
237.10283	4.2
238.11055	3.1
239.12018	7.7
249.10358	1.7
250.07494	1.7
251.08275	5.3
251.12059	3.0
263.08249	4.4
264.09039	6.7
264.31482	1.5
265.09793	10.6
266.10461	2.2
267.11343	1.9
277.05838	1.5
277.09750	7.2
278.10510	3.6
279.11392	18.7
280.09000	1.9
280.12228	4.2
281.09335	2.8
283.10938	2.0
285.04135	1.9
285.12503	2.8
291.11377	7.0
292.12228	2.4
293.09369	3.7
293.12756	3.6
295.10712	2.6
323.10437	2.4
324.10928	3.2
325.11807	3.8
337.11752	2.0
342.12204	1.7
356.13892	2.1
358.15381	4.1
359.16125	2.8
360.16949	2.6
372.17038	5.9
373.18024	3.3
384.13174	1.8
386.14999	3.0
387.19720	3.2
412.16620	2.3
413.17480	3.7
414.18079	6.7
418.17798	3.1
431.18402	3.6
441.16962	3.2
458.16913	8.2
459.17953	11.5
460.18616	2.2
490.19714	5.2
491.20453	2.3
503.17075	11.5
534.18872	6.2
535.19476	2.5
537.25275	7.8
553.24628	9.8
563.22736	3.4
579.21869	2.2
581.24121	32.8
582.24127	1.9
597.24011	1.9
607.21844	6.5
625.23096	47.6
626.23425	4.7
657.25629	77.5
658.26300	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	657.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59919	0.6
59.01383	4.0
61.98836	100.0
62.70526	0.6
66.74128	0.6
70.98711	0.8
117.05560	1.2
122.02518	2.1
136.46053	0.7
154.63251	0.6
159.53635	0.7
284.15613	0.6
296.54105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.2
61.98832	10.9
71.43288	5.2
80.91693	19.2
89.02470	4.8
93.03445	5.3
101.04163	4.3
116.01360	4.2
117.03488	13.9
119.05047	13.9
121.02969	12.6
122.02489	64.2
135.04555	25.4
183.13910	6.1
189.55804	4.4
193.12305	7.7
209.11880	96.0
211.13419	100.0
227.12900	12.8
253.09279	8.6
255.02852	6.8
355.99030	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	657.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23769	1.0
55.96247	1.1
59.01386	1.6
78.03493	1.3
87.04527	2.2
90.01411	1.2
98.21898	2.4
103.50461	1.0
105.71644	1.0
115.03979	1.1
119.05048	3.2
122.02490	100.0
123.02859	1.4
135.04633	1.6
156.57651	1.0
181.04962	1.1
209.11855	3.7
211.13365	4.4
286.44434	1.4
327.21765	1.3
329.54163	1.2
335.16165	1.1
407.20773	1.9
410.37546	1.1
491.22958	1.9
527.86426	1.2
595.52631	1.3
611.38257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64448	0.8
59.01383	6.0
71.01392	2.7
85.02966	0.9
90.96125	0.8
96.96029	1.0
98.02464	1.5
99.24776	0.8
101.02426	1.3
109.02984	0.8
113.02466	0.8
114.31209	0.8
117.03454	1.3
119.05070	1.7
124.03991	0.8
125.02489	0.9
132.02179	2.5
133.02969	37.2
134.03722	2.7
135.04538	13.3
145.02917	1.0
149.06058	1.0
161.02460	100.0
162.02742	1.7
177.05524	1.1
178.02759	0.9
179.03505	8.5
183.39551	0.8
196.02525	1.2
197.02716	1.4
198.06598	1.0
221.04579	2.1
223.06136	0.8
281.06815	1.1
285.04272	1.9
307.67468	0.8
657.29236	82.0
658.29749	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	658.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
65.00336	7.5
66.58916	0.6
69.86613	2.0
81.03474	3.3
83.22136	0.7
90.70071	0.7
92.03389	0.7
93.03451	0.8
98.02498	0.8
106.02952	0.9
109.02950	6.4
110.02482	0.9
117.03486	2.0
121.02974	2.2
121.90365	0.7
123.00904	0.8
127.00388	8.8
131.05009	3.3
135.04521	0.8
136.01691	0.9
138.01994	0.7
139.00360	0.7
149.02455	2.7
150.68860	0.7
151.00398	0.7
151.99927	1.0
152.03554	7.0
154.01463	0.8
154.99884	100.0
156.00517	2.4
157.62431	0.6
161.02437	1.2
161.06099	3.8
166.99854	0.9
177.01982	0.7
178.01463	0.9
179.99374	2.4
182.00871	1.5
184.02536	3.8
187.03979	4.0
192.02979	1.3
197.09669	0.9
205.01472	0.9
207.08180	1.3
209.09737	1.8
211.07689	1.5
215.07094	1.0
225.09236	2.2
235.07835	0.9
244.02449	1.0
251.07260	1.2
253.08789	3.2
276.92017	0.7
278.08188	0.9
279.06729	5.2
290.03104	3.1
294.07745	0.8
296.09189	1.1
297.07706	1.2
316.00888	1.6
322.07211	3.0
334.02109	1.2
340.08282	71.7
341.08597	3.3
364.42526	0.8
432.06686	0.7
434.08917	0.9
478.07565	4.9
496.08981	12.1
497.09451	1.1
520.83398	0.8
544.45874	0.7
666.94067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.4
65.00322	2.9
65.42670	1.1
65.99867	2.3
67.22279	1.1
68.99826	1.5
70.96391	1.8
78.01103	18.9
93.03461	1.8
106.88942	1.3
109.66409	1.1
110.00095	1.9
110.02477	1.9
111.00886	1.2
113.63374	1.6
118.28504	1.1
123.03310	2.6
124.01643	1.3
134.02542	2.3
135.03247	3.2
136.00389	4.0
143.05052	1.6
145.45560	1.6
151.02721	2.0
155.02264	1.3
155.05057	1.6
159.04498	2.1
163.99857	2.9
166.99947	1.5
171.04420	3.1
173.06087	5.2
177.99072	23.7
183.04524	6.9
192.03030	1.9
197.06154	1.7
198.06822	2.3
199.04041	1.4
200.04617	1.4
225.05504	3.3
226.06360	3.7
227.03432	1.9
228.04311	2.0
229.05080	2.7
240.06557	1.7
241.05064	5.2
242.08269	20.7
243.06641	4.9
252.06728	1.9
253.05121	2.7
254.05879	3.9
255.03049	3.8
256.03754	4.5
258.05081	1.2
268.06131	13.1
269.04568	5.3
270.07742	60.9
271.06079	5.1
280.06082	1.8
282.05466	12.0
283.02554	2.8
284.03265	5.6
295.06116	1.6
359.09302	11.8
360.09842	3.3
361.10504	2.1
386.10135	3.0
387.08734	55.0
388.09521	100.0
389.10019	14.3
391.58582	1.6
412.60361	1.6
658.16791	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	658.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.29178	1.9
69.29588	1.1
72.46902	0.6
83.04003	0.5
85.06639	0.7
85.29038	0.5
87.04549	0.6
95.69318	0.5
108.32048	0.6
115.04028	1.5
118.19366	0.5
119.05154	0.6
166.03488	0.5
189.07820	1.0
200.40164	0.5
208.31740	0.6
289.14517	1.1
370.55203	0.5
411.45187	0.6
459.25620	0.6
461.22156	0.7
535.25812	1.1
596.94220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	65.2
61.81876	0.6
98.21799	1.6
132.98233	0.9
150.94795	2.2
157.03516	1.9
174.99254	26.8
176.98071	0.9
192.95877	12.4
201.02560	18.0
202.02715	1.5
217.00311	100.0
218.00665	1.8
343.03818	1.5
344.03448	0.7
359.01498	34.2
359.06061	1.6
359.67117	0.8
360.01608	1.6
372.59381	0.7
374.99243	56.4
375.99564	1.9
411.18356	0.8
427.66675	0.7
434.78830	0.7
436.04370	0.8
517.00580	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	659.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73513	0.9
52.13536	0.8
59.01379	0.8
65.00308	0.9
65.99850	4.4
68.99835	1.0
72.99314	2.5
73.02934	0.8
81.66575	0.8
82.02996	4.0
83.05093	0.8
87.00875	0.9
89.99122	0.8
94.02955	0.7
95.01385	0.9
96.00932	1.1
96.04559	3.1
96.96053	1.1
98.02474	1.1
98.21880	1.7
99.00903	1.4
99.04525	4.7
109.02975	1.4
110.02498	3.3
110.10645	0.7
111.04601	1.3
120.00957	1.0
121.02972	1.5
122.02473	2.0
123.03302	3.7
124.04056	7.8
126.01969	0.8
129.33606	0.7
132.00916	0.7
134.02512	5.1
135.03291	5.0
136.00432	3.5
136.04070	2.1
137.02460	1.3
138.01953	2.3
139.00420	0.9
142.05130	1.9
142.99854	1.7
151.02765	4.0
152.03592	1.8
155.02184	0.8
163.99916	1.2
164.03540	4.0
165.00725	2.3
166.01517	1.7
167.70308	1.0
171.04547	2.7
173.06122	0.9
175.99895	4.5
180.03058	1.0
182.04613	1.9
188.03587	1.0
190.01363	0.8
192.03088	3.4
198.03952	0.8
200.07161	1.0
208.02519	2.8
212.60458	0.7
225.05638	1.2
226.03511	0.9
226.08775	2.5
227.07011	0.8
228.06705	1.8
238.05119	1.6
242.08253	42.5
252.06808	1.2
255.06747	1.1
268.02295	0.8
268.06241	5.1
269.06894	2.2
270.07739	100.0
271.08212	3.6
280.06146	7.4
298.06958	0.8
308.09335	1.2
310.11005	0.9
324.08847	1.5
336.08832	4.6
337.08566	0.9
351.09863	1.3
353.11465	19.2
353.15796	1.0
372.17984	0.8
374.10315	1.0
379.09433	1.8
400.08145	1.5
405.10931	9.3
406.09473	2.3
417.10907	1.5
418.09064	3.6
423.12057	8.9
435.12115	6.1
436.11246	1.4
461.09985	2.8
479.11069	6.2
480.09729	1.1
497.12112	7.2
580.16138	1.5
641.17853	2.1
642.16284	1.3
659.18854	18.1
660.19653	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	659.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09053	5.7
59.01378	28.9
61.98833	26.0
78.95937	7.4
79.95763	13.9
80.88670	7.5
80.96532	58.1
94.98103	11.5
96.96000	7.5
101.02412	11.4
115.04041	7.9
117.05537	6.8
121.02950	11.1
122.02483	18.7
132.95479	6.3
163.14787	6.3
164.98640	8.9
165.11958	7.9
225.00789	18.7
265.14902	10.6
267.14621	7.8
297.09161	6.5
312.04785	7.3
317.59589	5.7
345.11334	5.6
359.12537	7.4
509.41724	6.3
577.26941	100.0
578.26929	10.0
588.94922	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	659.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78770	0.8
59.01371	2.7
63.02446	0.7
65.00331	0.8
68.58282	0.9
68.71905	0.7
71.01370	1.6
73.67871	0.7
75.21566	0.9
79.95748	1.5
81.03455	1.2
85.70056	0.7
89.02464	1.1
96.96020	60.0
101.02442	1.1
107.01434	0.8
108.02161	2.0
109.02969	3.7
113.02524	0.8
119.05029	1.1
123.04530	2.9
125.02434	0.8
126.05674	0.8
134.11107	0.9
136.98830	0.9
152.01140	3.1
153.01974	5.1
164.98318	1.2
167.03490	3.6
195.03000	4.6
202.06340	2.8
209.04523	0.9
215.07324	1.1
222.92542	0.8
253.08723	0.9
255.05161	1.4
269.04456	1.9
269.11832	3.3
270.04883	0.9
270.07721	1.7
271.13361	1.7
282.72043	0.8
283.02512	2.6
285.14993	10.0
286.15659	1.2
289.04474	0.9
293.20724	0.9
298.01880	0.8
298.04764	4.5
301.14392	2.1
303.16135	2.1
311.16476	2.8
313.07266	1.1
315.15948	2.9
329.17609	7.0
345.17334	1.5
347.18671	2.1
379.09222	2.0
396.01761	1.1
449.18158	1.3
491.22971	1.3
517.13489	3.7
585.19843	2.4
600.22064	1.3
611.20837	1.0
659.27106	100.0
660.27380	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	659.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.4
65.00330	1.8
71.01374	2.1
77.23314	2.6
81.33111	2.0
106.06624	3.1
108.04555	4.4
110.02242	2.0
114.52578	1.9
117.03481	3.2
119.05016	5.4
122.02521	2.2
122.06136	18.5
133.02977	11.2
134.06123	13.9
136.07680	5.7
152.07170	4.6
161.02454	2.6
164.98296	2.7
180.06709	13.4
188.07181	9.0
190.02786	2.0
199.04005	10.9
201.01982	2.7
201.10326	33.4
211.08737	2.0
213.10344	19.7
225.10342	4.1
227.03497	3.1
227.12024	2.9
231.11363	4.4
239.11925	13.2
241.13448	11.3
243.02960	6.1
251.11897	3.3
253.09972	2.4
265.09680	2.4
271.02365	6.3
277.56723	2.0
281.09174	2.9
283.02686	2.1
285.03986	6.9
285.12454	32.4
293.09424	2.5
295.10947	3.6
299.01990	58.3
300.02213	3.8
307.10571	2.2
311.10324	6.9
313.03534	12.3
314.04349	32.3
315.04697	2.5
329.06668	100.0
330.06931	6.4
330.12650	2.3
332.13962	10.2
333.15097	1.9
341.11462	5.8
346.15680	2.3
354.12323	2.7
358.15567	3.3
360.13400	2.5
372.13187	4.3
373.14407	3.5
374.15222	4.5
383.12509	2.0
386.15088	4.2
387.15970	4.3
388.16721	3.0
390.14053	2.6
398.15146	2.8
399.15948	2.7
400.12982	5.8
404.16107	5.1
405.16882	4.3
415.15393	2.4
416.11508	3.0
416.16528	23.9
417.17099	4.2
418.17990	3.2
428.16074	9.1
430.13721	3.8
444.15900	2.6
445.16418	8.2
446.17203	69.2
447.17499	4.0
448.15131	3.4
449.15958	6.3
460.19348	10.0
464.18146	5.3
472.15048	3.4
489.15845	5.7
490.16229	17.8
504.17908	14.7
509.21982	4.3
521.18286	4.8
522.18774	24.7
536.20441	19.3
551.22992	37.2
583.25677	92.3
584.26093	7.4
595.22241	8.7
627.24603	38.8
628.24731	3.9
659.27301	73.9
660.27380	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	659.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25151	1.1
52.80156	0.9
59.01379	7.5
62.07860	1.0
70.38113	1.2
71.01378	2.3
71.40266	1.1
79.03205	1.0
80.05065	5.7
94.06609	1.3
101.02493	1.8
104.05064	2.1
106.06633	3.6
107.03796	4.1
108.04548	2.2
117.03466	3.1
119.05019	3.3
120.08237	1.2
120.27601	1.0
122.06140	18.4
132.04631	1.3
134.06140	9.0
135.04549	1.9
136.07703	3.0
146.06126	1.8
148.04063	1.6
149.02490	1.9
152.07191	41.8
156.07095	1.0
160.04120	1.6
162.05676	1.3
174.05663	3.0
180.06667	5.3
188.07161	13.1
194.34988	1.1
203.26224	1.1
211.08717	1.7
223.06174	2.1
224.09386	1.3
225.10333	4.5
227.11842	3.1
237.10255	1.6
238.07507	1.6
239.11916	1.7
245.13043	4.6
247.09042	1.1
249.10190	1.2
251.11983	2.0
252.09048	3.1
253.09920	7.8
264.08914	1.4
265.09866	2.1
267.11426	4.2
277.09790	2.9
279.07874	3.2
279.11166	2.6
281.09555	1.7
283.10825	1.9
285.03900	2.1
293.09393	2.4
294.10175	4.0
295.10855	30.4
296.11365	3.0
306.10352	1.1
307.10840	14.3
309.12228	1.3
313.03543	1.2
313.12048	2.0
323.10437	2.4
339.09970	1.7
358.15457	1.2
376.16293	1.5
390.18445	1.1
432.19281	3.4
458.17584	1.4
460.18811	43.0
460.25287	2.3
461.19220	2.6
476.18509	1.8
483.75873	1.1
504.17831	100.0
505.18265	8.7
508.20566	1.6
521.22064	1.3
536.20441	53.0
537.20740	3.3
539.29321	1.3
553.20923	1.7
565.20526	2.0
597.22668	1.4
627.24738	2.6
659.74945	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82955	0.4
59.01381	1.2
61.98837	100.0
67.22121	0.3
78.48193	0.3
80.96535	0.8
84.48323	0.4
84.73788	0.4
87.53080	0.4
96.21735	0.3
97.33218	0.4
122.02527	0.8
123.02831	0.3
577.26953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	9.0
57.03447	6.8
58.00606	0.9
59.01382	61.2
68.99804	0.6
69.03465	1.2
71.01386	94.7
72.77519	0.6
72.99306	1.5
73.02950	30.8
75.00879	1.8
77.10792	0.5
81.03494	0.6
83.01390	16.2
84.02174	0.6
85.02954	49.3
86.00125	0.8
86.02520	0.6
87.00896	2.9
89.00695	1.1
89.02451	20.5
89.40126	0.5
95.00830	0.7
95.01398	9.4
97.02965	2.8
99.00889	11.0
101.02449	66.6
102.02790	0.7
111.00875	4.0
113.02460	35.3
115.02203	0.6
115.04057	0.8
119.03503	8.6
125.02433	2.7
128.03545	2.3
129.01949	1.4
131.03500	1.8
137.64423	0.6
137.82832	0.6
143.03500	4.1
159.03038	6.2
161.04567	35.1
171.07767	2.6
179.05606	1.7
196.02501	0.6
215.06741	0.7
291.23279	1.5
412.27206	0.7
453.28564	27.2
454.28760	1.5
479.26590	1.1
481.27951	2.0
497.27582	60.9
498.27908	3.6
581.24445	0.6
599.26544	1.4
615.33899	70.1
616.34247	5.7
659.32886	100.0
660.33044	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	659.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43412	0.1
59.01372	0.4
71.39775	0.1
78.95888	0.3
79.95728	4.9
79.96206	0.2
80.84848	0.1
80.96539	0.2
112.93816	1.9
113.02419	0.2
116.48311	0.1
125.00092	0.2
127.05159	0.2
135.04564	0.2
143.05043	14.9
144.05370	0.5
152.03488	0.1
163.25841	0.1
170.94292	0.2
204.92371	0.2
206.92073	2.8
207.01224	100.0
208.01530	3.1
342.77863	0.1
402.74179	0.1
417.33691	0.2
469.70917	0.2
556.88287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	50.5
61.98833	19.1
62.41763	6.2
71.32821	7.7
84.53729	6.6
119.05043	9.0
122.02481	100.0
221.03036	7.8
225.11279	8.8
265.13007	7.9
381.79111	7.4
475.86594	9.3
557.23083	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	660.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20093	0.5
50.83915	0.5
55.01874	1.2
55.22443	0.6
59.01388	29.2
61.98825	1.0
66.03486	0.9
71.01383	0.8
71.05029	1.3
71.39927	0.6
72.97503	0.8
73.98309	1.9
76.78986	0.5
79.86866	0.5
80.05057	3.0
82.02985	4.6
83.01397	2.2
83.05040	6.6
86.02477	2.5
88.08760	0.5
89.00681	0.9
93.03385	0.5
94.50694	0.5
96.04569	2.0
98.02489	27.7
98.06141	2.9
99.00900	1.3
99.69646	0.5
107.03765	0.6
108.04572	11.5
109.51406	0.5
119.05034	1.5
121.93439	0.5
124.04062	12.4
125.02452	2.1
126.02805	0.6
126.05634	4.1
127.00354	2.5
128.03525	0.5
140.01758	0.8
142.05116	3.7
152.03552	17.4
161.02394	0.7
168.03052	12.6
170.04611	11.6
177.12811	2.8
179.03491	0.6
196.02531	100.0
197.02875	1.3
214.03600	21.3
323.20517	2.3
341.21603	29.2
342.21982	1.1
369.23010	0.8
372.91086	0.6
385.20541	2.5
403.21832	3.5
445.16898	1.1
445.22708	15.0
446.23090	0.6
538.24921	1.2
556.25574	0.8
582.24469	0.5
642.25879	9.1
660.26935	7.0
661.26074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01740	0.8
61.12668	0.7
69.07417	4.9
69.54052	0.7
84.13936	0.7
89.99092	0.8
98.21957	1.4
111.84223	0.6
141.01714	80.4
142.02065	1.1
142.26253	0.7
189.42545	0.7
222.01886	0.7
279.23294	4.8
279.39447	0.8
435.82166	0.8
492.90698	0.7
497.25522	0.8
504.31042	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	661.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
65.00333	1.6
70.58371	1.1
80.96533	0.6
82.00587	1.1
90.10853	0.5
93.03457	4.1
96.96017	2.1
101.02452	1.1
110.00104	12.5
117.03495	2.1
119.05023	3.3
123.04509	1.0
125.02438	0.9
135.04512	0.5
136.98813	1.3
137.02446	7.8
137.99600	7.3
153.01952	2.2
161.02463	3.9
164.01215	1.5
164.98341	0.8
165.99081	15.0
167.03516	1.8
179.03539	0.8
181.01448	1.5
187.03960	0.9
200.04820	1.0
209.04565	0.9
211.03986	0.9
212.04765	2.5
214.02731	1.9
227.03419	0.8
240.04282	0.9
241.00175	1.4
255.02971	1.2
267.03021	0.7
269.04391	0.6
281.06693	3.5
283.02515	3.2
284.03265	60.2
285.03717	3.4
298.04758	0.8
299.05615	100.0
300.05960	4.9
361.02374	4.1
461.10965	1.6
515.97900	0.5
581.13049	51.9
582.13678	3.8
661.08679	16.9
661.27081	2.3
662.08759	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	661.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95616	0.7
65.00313	1.7
65.99847	5.9
67.03017	4.0
68.99839	1.4
70.35210	1.2
70.35544	1.1
81.16147	0.8
83.01395	1.6
83.72174	0.8
92.02560	2.1
95.01379	1.3
96.00924	2.6
98.02496	4.6
100.94014	0.9
101.41483	0.8
109.01707	1.1
109.03014	1.3
110.00044	0.9
110.02502	7.8
111.00925	1.4
117.03487	2.3
118.04174	1.0
120.00945	3.2
121.01701	1.3
122.02507	3.7
122.03602	1.3
122.16830	0.8
123.03285	2.5
133.02971	1.5
133.04041	0.7
134.02510	3.0
134.03760	3.3
135.03288	3.6
135.04541	7.5
136.00426	6.3
138.01978	14.3
139.02779	8.5
140.03568	23.7
142.04105	1.1
150.02010	3.7
151.02760	4.2
156.05717	2.0
158.03659	2.1
159.04417	1.3
160.05173	2.0
161.02467	12.8
162.01927	1.7
163.99901	2.0
165.00682	2.9
166.01421	1.5
171.04459	1.8
172.05199	1.8
173.02457	0.9
175.99905	2.0
180.97739	0.9
182.03595	0.9
183.04425	1.0
184.05167	3.1
185.03606	1.0
186.03149	2.9
187.26192	0.8
187.99911	1.1
188.04730	1.3
192.03030	2.0
197.02551	1.1
198.03061	0.8
198.07797	2.1
199.03923	2.4
200.04663	4.6
201.02002	2.4
210.03358	0.8
212.04747	1.1
224.07234	1.0
226.02666	1.3
226.08662	1.2
227.03552	0.9
228.04179	42.2
228.06348	1.8
229.04959	8.6
230.05719	3.7
242.05760	1.8
242.08255	27.3
254.02136	9.9
255.02786	3.7
255.06773	1.2
256.03635	2.0
264.03122	6.1
265.03693	1.1
267.02975	2.7
268.03641	1.7
268.06073	4.7
269.04514	2.1
269.07050	1.3
270.07730	52.5
271.08047	2.3
278.04675	2.9
280.06256	1.2
282.04318	2.1
300.05170	9.3
301.05963	8.6
302.06720	20.4
303.06848	2.2
310.03488	2.1
322.03479	1.7
328.07510	1.3
344.06891	1.5
346.08423	2.9
353.11847	1.6
358.08353	22.7
359.08768	1.3
360.09885	1.6
372.06348	5.7
390.07343	100.0
391.07880	12.5
392.08911	2.1
481.11731	1.2
527.02710	1.0
643.14825	3.3
661.15698	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	661.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20926	0.6
59.01385	100.0
60.01717	0.6
61.34616	0.7
61.98841	4.3
63.52844	0.7
67.72445	0.7
69.57549	1.8
71.01379	1.0
85.02942	0.8
88.83575	0.6
96.96065	1.0
98.22565	1.5
113.02477	1.0
113.67824	0.7
117.93330	0.6
119.05067	1.6
120.05371	0.7
120.36007	0.6
122.02539	0.8
122.06152	1.0
123.04564	2.0
125.06113	0.6
125.48412	0.6
135.04469	0.7
141.67389	0.6
145.02962	1.1
167.03592	3.0
177.05602	1.2
189.89929	0.6
234.07021	0.8
235.07729	2.0
237.41086	0.7
251.07274	2.3
263.07181	1.6
266.09793	1.1
279.06644	15.0
279.09464	1.1
285.12424	0.9
291.06625	8.4
292.07602	2.4
293.08417	1.3
294.09143	2.5
305.08344	1.0
306.08975	7.8
307.06158	26.0
307.09488	1.6
308.06586	1.5
321.07919	2.1
322.08459	18.1
323.09216	1.0
337.10840	76.6
338.11154	4.3
448.75043	0.8
462.29449	0.8
542.70734	0.8
553.24750	1.1
597.23889	1.0
611.25232	1.1
617.29285	2.1
629.26208	2.3
661.29449	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	661.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	4.9
59.01385	100.0
72.65112	3.9
75.00879	17.0
79.22108	3.6
80.11815	3.7
82.90955	3.4
98.22794	5.3
101.02431	3.6
103.00394	11.6
103.01514	47.4
103.04036	5.4
104.05187	3.2
122.02510	3.3
136.03445	3.2
142.96223	3.2
177.72362	3.2
203.18234	3.4
206.60799	3.4
268.80811	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	661.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56205	0.4
59.01401	0.5
61.98836	100.0
63.62965	0.4
64.65958	0.3
76.93282	0.3
110.61641	0.4
115.04020	0.4
117.05573	1.1
122.02495	0.7
135.04698	0.4
163.63643	0.3
319.13840	1.7
538.25208	0.5
581.70081	0.5
680.52075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15574	2.6
56.86734	2.5
59.01378	27.3
61.98835	6.0
71.41047	3.2
78.91899	5.4
92.38216	2.8
94.47800	3.3
96.34734	2.5
96.96021	3.5
99.92587	4.9
110.06117	8.9
113.02406	3.2
116.92851	12.1
117.05578	3.2
119.05009	8.6
120.04568	3.4
120.08223	2.8
122.06133	38.3
123.04512	3.7
133.02907	6.1
134.06126	9.8
160.06305	3.3
167.03502	7.1
168.45120	3.0
174.05559	7.6
178.29356	2.8
180.06683	6.2
183.36549	3.7
188.07153	5.9
203.05763	3.5
213.10344	16.4
217.05011	3.5
232.63933	3.7
237.10246	4.4
239.11949	19.5
241.13490	12.6
249.10373	3.6
251.11856	10.6
263.08157	3.4
263.11890	6.8
264.09100	17.7
265.09744	10.6
267.11380	4.1
276.09003	3.5
277.09515	4.0
279.11392	19.5
280.12134	6.1
285.04077	41.1
285.12482	40.4
287.05566	5.6
291.07870	6.7
291.11206	7.0
292.08597	26.1
293.09280	10.8
293.12466	3.2
305.09097	4.7
306.10049	10.4
307.05975	4.9
307.06900	4.8
307.10901	66.6
308.11652	23.9
309.12213	5.3
311.10498	5.2
337.10825	9.6
340.10678	6.0
350.09100	20.6
351.09848	56.7
352.10403	7.1
365.11270	4.8
370.15860	5.9
372.17181	5.2
398.14944	7.0
412.16452	7.4
413.17249	4.1
430.17664	10.6
447.17838	6.5
448.18613	11.7
462.20346	8.8
474.16534	5.4
491.16925	4.3
492.17813	28.3
506.19324	73.8
507.19635	8.5
511.23837	4.3
524.20355	13.1
535.23077	8.3
538.21991	100.0
539.22333	8.1
553.24652	48.6
585.26923	8.4
597.23773	33.2
611.24872	5.1
617.28247	5.2
629.26147	98.5
630.26648	13.6
643.27484	12.5
661.28790	63.1
662.29150	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	661.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95797	1.8
59.01388	21.2
61.39510	1.8
61.98806	3.3
69.40831	4.0
69.41249	7.5
71.01395	4.1
72.16881	2.1
85.02943	5.0
87.00948	1.9
92.97652	2.0
94.06616	2.1
96.00946	2.2
96.96027	5.4
106.06616	3.7
107.03798	2.3
108.04568	3.7
110.06128	14.8
119.05036	6.5
120.08153	2.5
122.06135	39.9
124.07622	2.3
134.06107	9.0
135.04517	4.5
136.07710	3.4
139.35399	2.1
146.06093	2.0
152.07193	2.8
160.06403	6.8
161.02356	2.2
161.04776	3.5
161.20129	2.4
162.05609	2.3
174.05577	1.9
180.06668	8.7
188.07141	10.0
189.12927	2.9
193.05028	4.2
203.11861	4.7
213.10345	22.9
215.11876	4.8
225.10458	2.1
233.12871	5.2
237.10350	3.6
239.11902	19.2
241.13477	18.6
251.08179	2.6
251.11981	6.3
253.10036	2.5
264.09000	4.5
265.09827	4.7
267.11319	3.7
277.10004	2.8
278.06900	2.4
279.11362	5.1
280.12164	2.8
281.09348	3.9
282.09930	2.6
283.02469	4.2
283.10788	3.2
284.03073	4.0
285.12491	66.4
286.12769	5.0
291.11478	4.5
292.08582	4.9
293.09402	5.9
293.12985	8.6
298.04865	3.6
301.12054	5.2
307.10840	12.9
308.11618	6.5
311.10385	8.1
313.11880	2.4
327.99570	2.3
342.12485	2.3
343.13104	5.2
347.37350	3.0
351.09933	7.5
352.10458	4.7
356.13647	3.0
370.15695	3.6
375.16089	2.8
398.14865	2.9
406.17596	5.5
412.16629	3.7
413.17401	3.7
418.18146	2.3
419.18930	3.4
430.17960	4.3
432.15317	3.2
447.17972	13.4
448.18796	24.2
451.17255	4.7
462.20721	4.6
474.16632	6.0
491.16888	7.6
492.17664	25.6
506.19550	19.9
507.19394	3.5
511.23633	6.7
516.47937	2.3
524.20337	6.4
535.23651	4.8
538.21912	27.5
539.22528	4.6
553.24609	60.4
554.24927	7.0
585.27325	47.4
586.27411	3.7
597.23633	29.9
598.24048	3.3
617.33655	7.1
629.26270	100.0
630.26605	13.1
661.28851	69.1
662.29364	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.5
69.81090	6.2
94.06631	2.3
98.21905	2.2
110.06138	10.1
121.05340	2.2
122.06137	32.6
134.06142	6.9
137.36342	1.7
142.15863	1.7
144.04588	1.8
152.07256	2.6
157.01631	1.8
160.04028	2.2
160.06416	3.7
161.04863	3.9
161.77847	1.7
161.79207	1.6
174.05597	5.7
180.06668	5.2
188.07233	2.5
203.05812	2.2
213.10315	15.4
215.11801	1.9
225.10229	2.4
226.11201	1.8
237.10280	3.4
239.11983	21.8
241.13446	13.1
242.14014	2.0
251.08305	2.4
251.11960	4.3
264.09021	7.7
265.09729	6.2
266.10428	2.0
267.11340	3.8
277.09760	3.0
278.10571	2.6
279.08362	2.0
279.11383	10.8
280.12259	3.6
281.09271	2.1
283.10901	2.8
285.12460	53.6
286.12708	3.0
290.10791	2.4
291.08041	2.4
291.11493	7.1
292.08710	9.0
293.09256	7.8
293.12952	7.6
301.11923	2.3
306.10196	3.3
307.10910	33.1
308.11679	16.7
311.10379	3.5
323.13925	2.5
336.52432	2.0
340.10577	3.3
343.12909	3.5
344.17703	4.1
350.09052	6.6
351.09827	28.2
352.10229	2.2
355.13083	2.3
356.14127	2.6
370.15680	6.2
371.16568	2.9
372.16907	3.0
397.14542	2.0
398.15173	14.0
406.45178	2.1
412.16489	8.2
413.17517	9.2
430.17737	10.9
431.17902	2.3
447.18024	3.9
448.18765	7.9
462.20047	2.8
474.16620	5.8
492.17862	13.4
493.22882	2.6
506.19363	20.9
507.20071	2.7
511.23358	6.9
523.24194	2.3
524.20477	6.3
535.23553	18.3
538.21899	32.7
539.22260	2.4
553.24597	48.7
554.24817	4.3
556.23230	2.0
567.25757	2.4
579.22516	5.0
585.27325	5.1
597.23444	32.9
598.23877	6.2
611.25311	7.1
629.26190	100.0
630.26276	15.8
661.28973	33.4
662.29041	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	661.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	27.9
61.98813	1.7
71.01390	1.1
73.98331	4.8
74.02467	3.2
82.02979	1.6
84.04542	2.1
86.02486	33.2
89.00691	2.1
109.07708	1.7
113.02463	1.2
114.04127	1.0
119.05007	1.1
125.33597	1.0
127.05148	3.2
127.08768	7.3
128.03551	100.0
129.03879	0.9
153.06706	4.7
171.07761	25.3
177.12854	2.8
197.05681	2.7
215.06754	35.9
285.03882	1.6
293.21115	1.1
323.20493	4.9
334.57181	1.1
341.21579	53.8
342.21936	3.1
372.34979	0.9
385.20633	7.8
403.21552	8.2
410.23611	3.2
428.24829	10.1
445.16895	1.6
445.22687	19.3
446.23093	1.0
472.23737	7.9
513.20636	1.6
532.25934	6.8
539.27930	2.2
557.29327	7.9
560.16779	1.2
583.26929	2.4
601.28040	22.8
643.30719	2.6
661.19574	1.5
661.30182	20.3
662.30603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16716	2.2
59.01378	4.0
69.62729	7.7
70.02982	4.1
71.02509	4.0
72.07610	2.9
73.04076	9.6
74.02464	2.7
74.96429	4.0
76.96139	3.6
77.68317	2.2
78.95905	6.0
82.03017	4.9
82.03687	2.6
84.04520	5.2
96.00916	15.1
96.96021	15.7
98.02473	8.6
102.05612	36.3
103.05154	13.2
109.01752	3.6
110.94113	14.2
112.93818	24.6
115.08809	5.3
121.64336	2.9
124.07747	3.5
125.07237	3.1
128.03557	87.4
130.08757	16.9
139.08752	3.8
140.07231	3.4
141.10390	4.4
143.11931	2.7
146.04628	32.5
151.08788	21.5
152.07191	12.2
153.06653	3.3
153.10382	3.3
155.08290	15.3
165.10344	3.1
168.94772	2.7
169.09811	12.0
170.94395	3.5
171.15007	5.7
187.10815	5.9
191.08255	5.8
195.07762	22.0
197.13023	2.6
201.41934	2.5
204.92271	21.3
206.91991	40.1
208.91719	3.7
213.08833	2.7
215.14046	7.2
241.12129	3.7
253.08281	5.7
254.15004	3.2
272.16217	4.6
350.67603	3.3
366.16498	17.5
368.73203	2.4
449.33640	2.6
459.24924	3.8
470.22137	3.0
495.21066	11.9
514.25214	15.1
532.26068	7.7
539.23438	17.9
599.26489	14.8
617.28070	8.0
643.29492	71.4
644.30206	4.8
661.19629	5.6
661.30548	100.0
662.31158	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	663.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59842	0.5
59.01385	0.9
61.98835	35.9
69.94195	1.5
69.94530	0.7
76.94651	0.6
77.67574	0.6
93.43359	0.7
94.02981	1.7
96.96033	0.8
108.02186	1.3
110.00079	0.9
120.08493	0.6
123.00909	1.1
124.01677	12.9
124.02520	1.1
145.02957	0.7
146.03697	0.7
159.04535	2.1
171.04630	1.2
172.05322	7.8
187.04007	4.1
188.04839	1.8
215.03563	1.3
216.04297	27.3
217.04842	1.0
255.06604	0.7
257.08200	2.7
268.06097	0.7
269.04504	1.3
270.07660	1.1
294.08917	2.6
319.18729	0.7
352.11929	100.0
353.12250	4.2
354.26202	0.6
556.18146	1.3
619.22186	2.9
663.21179	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16991	0.5
56.94728	0.5
59.01384	6.0
59.14141	0.5
61.66861	0.5
61.98820	1.3
69.06519	3.1
69.06931	1.1
71.01394	2.4
73.02957	0.9
85.02973	1.7
86.11411	0.6
89.03967	2.9
96.95987	0.9
98.21891	1.0
99.00917	0.8
101.02452	1.8
106.04246	0.6
113.02468	1.8
117.03483	5.5
132.02193	2.2
134.03758	89.9
135.04138	2.2
149.06090	6.1
160.01677	9.9
161.04570	0.6
167.03635	1.0
175.04005	11.4
178.02780	1.2
193.05075	100.0
194.05421	2.3
219.00800	0.5
230.20430	0.5
239.08586	0.6
253.10022	0.6
268.12112	1.2
269.10367	0.8
319.06229	0.7
381.10022	0.9
383.13354	2.0
390.18277	1.1
434.17169	1.1
443.15463	1.4
594.18726	0.5
619.20569	2.5
619.29779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46199	0.5
57.96107	0.4
59.01385	6.8
60.60036	0.5
71.01394	3.0
73.02952	4.6
82.95425	0.7
83.01404	0.7
83.35025	0.5
85.02964	0.8
89.02455	1.8
91.05554	0.9
91.73668	0.5
99.00900	6.1
101.02468	1.9
105.03499	0.8
107.05043	2.4
113.02464	1.6
117.03491	1.6
132.02158	1.2
133.02968	16.5
134.03767	9.1
135.04541	100.0
136.04842	2.7
149.04596	0.6
161.02461	45.5
162.02750	1.3
179.03510	69.1
180.03822	2.5
191.05629	1.2
229.32626	0.5
273.84183	0.5
457.16663	0.9
467.68533	0.5
577.19080	1.7
619.20349	41.7
620.20721	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	663.303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28477	1.0
57.03456	2.3
59.01382	7.5
61.98840	2.6
65.00323	1.5
67.62186	1.1
68.99814	1.2
69.03493	1.2
71.01385	6.1
73.02966	1.8
73.20714	1.1
74.34754	0.9
77.23889	1.2
81.03497	1.4
83.01398	1.8
83.86201	1.2
85.02984	4.4
87.00865	1.1
89.02477	2.3
91.01910	12.1
93.03471	1.6
95.01391	2.0
96.96011	1.9
101.02454	4.1
107.01396	3.9
108.02178	9.9
109.02966	1.6
111.00900	1.9
113.02463	3.9
116.92855	1.7
117.03453	1.8
119.05062	3.3
122.06189	1.7
123.00908	1.8
123.04541	38.0
125.02486	2.5
134.03864	1.3
135.04529	3.8
137.02481	2.1
151.00385	5.5
151.04100	1.5
152.01186	7.8
153.01981	7.2
159.02966	1.4
161.02443	1.2
166.02725	4.4
167.03513	100.0
168.03777	2.0
181.05084	2.3
193.05136	2.1
209.04549	7.5
251.05672	1.2
269.06650	3.4
273.71317	1.3
283.10977	1.9
285.04001	1.4
296.05392	1.7
297.06140	1.7
311.07736	11.9
349.03302	1.3
351.21756	9.6
352.10107	1.3
599.24298	3.3
619.31287	67.6
620.31763	6.8
631.26923	4.9
663.30334	35.0
664.30518	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	664.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42323	0.2
61.98833	100.0
69.62212	0.3
71.43354	0.2
137.02440	0.5
143.26137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
71.01394	1.6
89.02470	1.7
95.01390	2.7
96.96031	1.7
99.00904	3.2
101.02450	1.1
103.65105	1.3
111.00883	11.2
113.02473	1.7
117.03471	1.2
123.00908	4.2
136.98814	2.1
137.02530	1.7
139.00398	13.2
141.01923	2.6
151.00397	3.6
161.02478	2.1
164.98288	3.3
166.02768	5.7
166.99863	3.0
181.05109	6.1
183.04607	2.0
185.02446	1.4
199.04074	1.8
211.04080	1.3
225.01993	2.5
227.03313	1.7
229.01349	1.3
239.03520	3.0
253.01489	3.3
255.02977	10.5
257.04559	1.7
271.02563	11.9
281.01016	2.5
283.02563	8.5
285.04053	2.9
297.03824	1.5
299.01978	6.2
305.04459	1.2
307.02405	1.5
333.04187	1.3
341.14023	2.1
355.05997	2.5
362.89224	1.2
377.03094	4.4
405.02451	4.2
417.15436	9.1
418.15851	1.4
423.03680	11.3
585.06824	100.0
586.07428	8.3
665.02264	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	665.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13334	0.7
57.07042	0.7
59.01387	7.5
64.38919	0.8
84.93893	0.8
85.06636	0.9
96.96040	5.2
98.95603	2.7
99.92590	17.9
100.93375	5.6
102.60152	0.9
113.02454	2.6
113.06127	1.4
114.94946	3.4
115.04028	2.2
115.92094	9.9
116.92872	100.0
117.03465	0.9
117.92905	2.0
122.02494	24.4
123.02845	1.0
131.37114	0.8
158.13583	0.8
158.93936	4.5
175.06125	3.7
180.18832	0.8
184.99222	0.9
211.97914	1.0
213.99396	1.3
257.98309	1.2
348.71069	0.8
429.10074	1.8
592.23926	1.4
629.17206	2.6
665.19092	24.8
666.19812	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	665.2153
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
51.40496	1.2
55.01864	1.7
57.03467	1.6
58.00602	2.2
59.01383	100.0
61.98830	1.8
69.03447	2.1
70.63689	1.5
71.01386	72.4
72.83421	1.2
72.99310	3.4
73.02945	13.4
83.01379	2.3
85.02954	13.3
87.00889	21.1
89.02449	73.6
95.01391	5.2
97.02958	2.8
99.00890	3.6
101.02451	57.3
102.02851	1.3
109.02991	2.2
113.02460	28.9
119.03518	16.0
125.02484	8.6
131.03481	4.2
139.74855	1.6
141.01915	1.7
143.03490	16.0
149.04601	3.4
161.04543	15.5
161.57521	1.5
179.05618	56.8
185.04610	1.7
203.05588	6.0
221.06680	16.5
235.08235	1.6
263.07767	2.6
281.08881	4.0
292.64792	1.5
305.09143	1.4
318.09473	1.3
323.09879	4.4
337.99005	1.4
341.10907	39.2
342.11459	1.6
383.11942	79.7
384.12274	2.3
405.23697	1.5
425.12833	4.2
443.14261	16.2
485.15146	22.9
486.15326	1.6
503.16351	3.6
509.69223	1.7
512.76202	1.5
665.21527	66.0
666.22101	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2153
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
50.36641	1.6
57.39682	1.6
59.01385	82.8
61.29842	1.7
64.52970	1.6
69.03478	1.9
71.01386	53.5
71.01993	3.2
73.02965	10.1
74.39017	1.5
81.03442	2.1
85.02949	9.4
87.00878	23.1
89.02451	73.7
95.01408	2.2
97.02950	5.8
99.00880	2.4
101.02447	62.2
113.02464	28.5
119.03512	15.6
125.02483	9.9
131.03523	4.0
141.01982	2.0
143.03499	17.8
149.04533	2.5
161.04581	10.9
179.05635	58.0
203.05612	6.3
221.06671	20.3
235.08485	2.1
281.08932	4.2
305.08646	2.4
323.09869	6.2
341.10855	39.0
383.11960	100.0
384.12299	3.6
425.13019	4.4
443.14102	15.2
485.15198	24.6
503.15997	2.5
504.74261	1.8
665.21564	76.2
666.22198	5.5
677.51495	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	665.2154
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
55.01876	1.3
56.57380	0.4
57.03457	1.7
58.00597	1.3
59.01384	97.5
60.01719	0.7
66.78747	0.3
68.99843	0.6
69.03459	2.1
71.01388	67.8
71.39687	0.3
72.01712	0.5
72.99334	2.2
73.02956	13.0
73.03371	0.7
75.00889	1.1
76.99680	0.3
81.03470	1.6
83.01389	2.8
85.02957	12.9
87.00886	22.4
87.04533	1.4
89.02453	77.8
90.02796	0.4
95.01382	4.2
97.02957	4.3
98.55227	0.4
99.00887	2.3
99.04549	1.2
101.02453	65.3
102.02824	0.6
107.03512	0.5
109.02938	1.7
111.00912	1.3
113.02462	28.6
114.02789	0.4
115.04044	1.2
119.02663	0.8
119.03516	14.1
119.93659	0.3
121.02991	0.3
123.00914	0.5
125.02459	9.3
127.04086	0.5
129.01964	0.7
131.03529	4.8
139.04015	0.8
141.01979	1.6
143.03513	16.6
149.04568	2.4
161.04576	15.1
163.19255	0.3
167.03557	0.8
179.05624	62.7
180.05995	1.2
185.04582	1.5
203.05643	7.4
221.06673	20.4
222.07053	0.5
233.06569	0.6
235.08246	2.2
246.94873	0.4
251.07581	0.4
263.07626	1.8
281.08804	4.7
305.08746	1.3
321.08258	0.5
323.09790	4.7
341.10895	41.1
342.11215	1.1
383.11972	100.0
384.12378	2.7
413.12839	1.9
425.13010	4.6
443.14066	18.0
444.14569	0.4
467.14023	0.5
485.15149	24.5
486.15378	0.7
503.16281	3.0
545.17261	0.6
665.21497	78.2
666.21869	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	665.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65707	1.0
59.01366	1.1
65.00323	2.1
65.99841	3.5
68.99828	1.4
69.04805	4.4
69.05230	4.0
74.95136	1.0
82.03822	0.9
92.99870	1.0
93.52404	1.2
95.01421	1.6
109.02952	1.3
110.02504	1.2
111.00894	1.9
111.22179	1.3
117.03483	1.2
121.02973	1.2
134.02484	1.8
136.00444	2.4
138.05640	2.4
144.04463	1.0
149.02415	1.7
150.01999	1.5
161.02434	1.1
162.01836	1.1
162.51486	1.0
163.99864	3.2
165.00702	1.2
165.06779	1.1
171.03140	1.6
171.04515	3.9
174.01857	1.0
175.99896	3.1
188.03537	1.8
213.05540	2.1
224.07297	1.1
225.05681	2.8
227.06937	1.5
240.06721	1.8
242.08258	6.8
253.05237	1.3
254.05890	1.3
255.06570	3.5
268.03659	1.3
268.06183	8.7
269.04568	2.7
270.05048	2.0
270.07733	14.6
277.07239	3.0
280.06168	8.2
294.07614	1.6
296.05579	3.5
306.07977	1.5
310.10922	1.0
322.07251	2.8
333.32144	1.4
337.11951	2.5
375.13614	2.0
387.13382	1.2
398.10638	1.2
402.10336	1.3
415.13312	2.9
416.12317	1.5
419.12585	1.6
430.09076	1.2
433.15097	3.2
440.12549	2.4
442.09305	1.5
443.12979	2.3
457.15170	3.6
459.12396	1.5
484.12045	2.0
487.11566	1.2
501.14178	4.2
522.11951	1.9
523.12634	4.0
527.15619	2.8
529.13782	8.9
561.15912	7.6
589.20795	2.2
591.18024	1.7
633.20117	16.9
665.22601	100.0
666.22968	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	665.2755
Annotation	Ajugaciliatin E
Peak:m/z	Relative Intensity
59.01385	100.0
71.01378	1.1
73.02962	1.4
73.04267	0.8
74.99091	2.9
78.95908	1.0
80.05061	12.1
84.04565	1.0
86.02489	4.7
88.75462	0.8
89.00674	1.7
90.66409	0.7
98.21808	1.7
103.44581	0.7
108.04565	9.4
110.06104	1.8
110.63930	0.9
119.05051	1.3
123.98978	0.8
148.07753	1.0
149.02499	1.2
164.98273	0.9
168.01218	2.1
177.12859	1.0
191.12004	1.1
203.27475	1.0
219.11421	3.7
223.06209	1.3
236.31544	0.9
237.13217	2.4
263.14618	1.1
341.21262	1.0
445.25436	1.0
457.25308	1.6
474.23239	1.6
475.06775	1.0
475.26321	2.1
517.27264	3.2
541.90753	1.1
543.25208	10.5
561.26044	1.0
578.24243	3.1
603.27802	5.2
621.28516	58.6
622.28961	2.8
647.26056	1.1
665.27545	32.6
666.28180	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16018	1.8
62.91856	1.6
63.45922	1.5
67.11320	1.9
70.24167	2.2
82.95419	11.3
84.00925	9.8
84.95124	64.5
85.00446	100.0
86.14268	2.0
93.86552	1.9
119.47541	1.9
171.06651	2.0
274.71384	1.9
299.98767	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	666.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98115	1.5
59.01386	3.4
71.05028	2.7
80.05054	3.7
82.02982	12.0
83.01391	4.6
83.05029	5.6
86.02509	1.4
92.99704	1.3
95.60455	1.4
96.04549	5.3
96.96008	2.2
98.02485	41.4
98.06114	5.8
102.98598	2.5
108.04569	19.5
117.03412	2.0
120.01259	4.2
124.04054	19.3
126.05622	9.8
127.00398	5.9
142.03363	3.6
142.05089	5.5
151.04015	2.1
152.03563	29.3
161.02443	5.8
162.02757	2.2
168.03033	17.5
170.04643	12.2
176.04829	3.6
179.03465	7.4
180.99660	2.6
186.02319	2.6
192.04420	1.6
194.05833	4.6
196.02528	100.0
197.02956	1.7
197.18239	1.6
202.01819	26.5
208.02011	1.9
209.08170	11.6
211.04424	11.7
214.03561	14.3
223.04501	2.4
230.01285	10.9
241.05394	4.0
248.02379	26.9
463.52112	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	666.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	13.0
60.44196	9.4
61.98830	31.8
62.17803	13.0
71.01390	12.5
75.88270	10.5
78.74776	12.1
80.33191	12.1
83.77887	9.9
111.12786	11.4
111.83024	9.6
111.94031	11.5
117.03482	30.2
119.05038	46.9
122.02496	100.0
125.02389	14.9
135.04520	35.0
150.90363	10.0
151.00282	13.1
201.05762	12.0
253.06396	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	666.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
66.08665	0.5
98.21904	1.1
100.44370	0.5
114.94413	0.5
159.38162	0.6
218.92744	0.5
220.00134	0.6
255.23628	0.6
325.18524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1522
Annotation	Dillenetin 5-glucoside-7-glucuronide
Peak:m/z	Relative Intensity
51.20166	0.9
53.28374	0.8
54.96724	0.8
55.01863	0.9
57.03440	3.0
59.01385	18.0
63.40570	0.8
65.00335	2.1
68.99818	1.1
69.21033	4.8
71.01391	16.7
72.99300	2.4
73.02952	1.9
75.00866	8.4
83.01395	1.0
85.02958	31.1
86.57117	0.9
87.00880	5.1
88.98849	1.8
89.02466	3.7
95.01401	11.4
96.96019	1.7
99.00891	12.6
101.02444	1.4
103.00385	5.7
109.02980	1.6
110.00199	0.9
111.00895	1.8
113.02461	70.4
115.00401	2.4
117.01963	3.9
129.01947	2.9
133.02980	20.6
134.03671	0.9
136.98817	6.4
139.00432	1.2
153.01913	1.7
157.01418	1.1
164.96922	1.3
164.98299	24.6
165.99040	3.4
175.02496	22.3
175.03967	1.9
177.02025	1.0
180.00673	7.0
181.01431	2.5
183.04477	1.2
185.02469	1.8
195.03020	2.5
195.41760	1.0
201.02081	1.3
223.60056	1.0
227.03581	2.8
230.99377	2.4
246.01755	2.6
253.01431	2.5
255.02916	1.3
261.03967	3.3
271.02527	7.3
281.00925	2.3
285.04172	1.6
296.03149	1.7
299.01996	80.8
300.02530	2.9
313.03607	6.3
314.04346	83.3
315.04745	5.4
327.05109	1.4
329.06686	100.0
330.06970	3.3
371.07755	3.2
477.10196	2.6
487.09000	1.6
491.12000	83.2
492.12097	4.3
505.09940	13.2
607.22461	1.8
667.14886	12.0
667.24146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32365	0.9
59.01383	1.7
61.34533	0.8
67.01878	1.1
67.88143	0.9
69.03476	1.2
69.52355	2.8
71.01400	2.0
73.02934	1.4
79.19474	0.9
79.76003	0.8
81.03461	8.9
83.01398	7.1
85.02978	1.1
91.05522	1.0
93.03460	2.1
95.01409	2.2
95.05025	6.2
97.02970	6.3
98.22699	1.1
99.04535	2.7
103.65785	0.9
107.05051	2.6
109.02969	4.4
109.06564	1.3
111.04568	2.5
113.02449	1.6
119.05048	2.7
121.02967	3.9
123.04522	9.8
125.02454	11.5
131.05019	1.8
135.04538	2.8
137.02490	6.5
137.06078	4.3
139.04030	7.0
147.04510	1.4
147.08154	1.3
149.06087	2.6
151.04044	4.3
151.05109	0.9
155.03510	1.1
159.04506	0.9
161.02452	0.9
163.04010	2.4
164.04831	1.3
165.02002	2.6
165.05574	4.1
166.02737	1.9
167.03510	20.7
173.06078	12.5
175.07590	1.0
179.03477	3.2
181.05096	1.6
183.08110	1.0
187.15742	0.9
191.03551	1.5
197.04559	4.7
201.61816	0.8
205.01483	1.0
209.04565	26.3
213.09210	8.5
215.07089	1.1
227.10806	2.5
229.08667	3.2
238.25734	0.9
239.05522	11.2
251.10794	1.1
253.08818	1.2
255.06599	2.2
255.10361	1.2
257.08212	10.9
267.10358	1.4
267.72827	1.1
269.08185	3.3
269.11438	0.9
272.68234	0.9
283.09760	2.2
286.07440	1.5
297.11273	1.2
299.09253	22.4
311.09311	9.6
321.60193	1.1
323.09158	1.2
325.10681	2.5
329.10410	7.1
338.07993	1.6
339.08591	1.7
341.10309	100.0
342.10718	6.3
353.10345	5.5
355.11966	1.0
361.42230	0.9
371.11377	78.4
372.11713	5.2
383.11325	3.9
395.11456	1.0
398.13617	1.0
401.12439	28.4
402.12854	2.1
413.12381	1.3
425.12317	2.4
443.13531	6.0
455.13235	1.9
461.14615	22.7
462.14975	2.2
472.92755	0.9
473.14496	4.3
485.14236	2.4
491.15634	2.1
503.15665	6.2
515.15448	1.4
533.16821	2.0
581.18884	4.1
582.19263	0.9
623.20087	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	667.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07106	0.4
59.01385	3.6
65.00336	2.1
71.01378	1.4
72.83841	0.3
73.02947	1.0
82.95427	1.6
83.01432	0.4
83.02068	0.4
85.02960	0.4
87.81773	0.4
89.02455	1.0
91.01323	0.7
91.01903	13.4
95.01419	0.4
99.00893	1.4
101.02432	0.8
108.02187	9.4
111.00884	1.1
113.02473	0.7
116.55575	0.3
119.05045	0.8
123.00940	0.5
123.04540	35.8
124.01680	0.8
124.04811	0.5
152.01169	6.6
160.01604	0.6
165.05635	0.5
167.03513	100.0
168.03833	2.1
175.03967	0.9
188.06691	0.3
195.23640	0.4
224.07967	0.4
234.71873	0.4
316.80261	0.4
327.12463	0.4
392.45041	0.5
413.14706	0.6
455.15753	1.7
473.16266	0.5
565.71594	0.4
623.19879	3.3
624.20795	0.4
667.33258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44725	0.6
51.41034	0.5
54.44430	0.6
58.04102	1.3
59.01371	2.0
65.00330	4.8
65.99854	2.3
66.03494	3.0
68.99810	2.2
71.01382	1.0
73.64729	0.6
73.71813	0.6
83.01388	2.0
85.02982	0.6
89.51719	0.7
92.05064	1.3
95.01382	1.2
96.00938	1.0
96.99332	0.9
98.02495	1.5
98.26867	0.6
99.00896	1.7
104.05079	1.0
106.02943	1.4
108.04593	0.9
109.01683	0.6
109.02931	0.7
110.00089	2.1
110.02501	4.1
111.00911	2.1
115.05531	1.7
117.03481	0.8
119.04955	0.9
120.00921	2.0
121.02950	0.9
122.02489	1.8
122.06111	1.2
123.03279	4.5
123.04543	0.7
124.00435	0.6
124.04021	0.8
124.98817	1.3
125.99578	1.6
127.00370	1.7
127.05535	1.4
131.05064	4.1
133.06558	1.3
134.02490	5.4
135.03299	5.8
135.04257	0.9
136.00381	4.7
136.04054	0.7
136.98799	3.2
138.01985	1.9
138.05635	1.2
139.00359	0.7
140.30112	0.6
141.07130	1.4
143.04977	1.4
145.06514	1.4
147.04515	2.1
147.08138	0.8
148.04005	0.8
150.05606	0.9
151.02779	5.5
151.03928	1.1
153.99046	1.7
154.99883	9.0
155.02275	1.4
157.06599	1.9
159.04556	0.7
160.04059	0.9
160.91177	0.6
161.06068	5.4
162.05557	1.6
163.04083	0.7
163.99907	2.3
164.03607	1.9
165.00656	0.8
166.01468	1.7
166.05051	0.9
166.11459	0.7
169.06573	1.9
171.04501	4.3
172.05302	0.9
173.06110	2.2
175.99915	1.0
176.03598	0.8
178.05132	1.7
179.02217	1.0
185.06148	1.1
187.04015	1.0
189.05577	4.2
191.99379	1.6
192.03040	4.2
197.06065	2.0
199.07683	1.0
200.07253	1.2
201.05553	5.3
204.07845	0.7
206.04512	4.5
209.06151	0.8
212.10664	0.7
213.05594	1.6
218.00995	1.1
222.09259	0.8
224.05434	1.1
224.07401	1.3
225.05531	1.5
226.08748	2.6
227.07277	1.4
228.06702	2.7
228.79808	0.7
229.05086	8.4
237.09241	1.0
239.07152	2.4
240.04137	0.6
240.06511	0.7
241.05028	5.0
242.08247	43.3
243.08543	1.4
248.06723	2.9
248.10637	0.8
249.09346	0.7
251.07201	1.9
252.06624	1.6
254.11874	1.6
255.06654	1.0
257.04529	2.3
266.12039	2.1
267.03067	1.2
268.03644	1.5
268.06210	5.5
268.10016	1.8
269.04364	4.2
269.06876	0.9
270.07733	100.0
271.08258	3.8
279.07822	0.6
280.06119	4.1
281.08121	2.8
282.07849	0.7
282.11435	1.6
283.06085	2.6
284.06561	1.2
285.04019	7.2
285.06793	0.5
286.04788	2.5
292.09781	2.2
294.07761	1.7
296.05667	22.5
296.14020	1.9
310.10904	7.6
312.08765	2.7
335.65692	0.6
336.08771	2.4
352.08713	0.9
352.13077	6.4
354.09842	15.0
370.09225	0.8
370.13889	1.0
378.10883	2.3
381.02972	1.1
381.15729	2.1
382.03311	1.8
383.03412	1.2
395.12579	2.2
396.07184	7.3
396.12009	23.7
397.12405	1.2
399.00107	0.8
399.99939	0.9
433.15112	1.3
437.14667	11.3
438.15018	1.1
463.11536	2.6
505.13818	5.2
509.04459	0.7
519.15234	4.9
522.12299	1.3
593.20703	2.5
607.07379	0.7
611.85004	0.8
667.20465	3.5
667.31549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00241	1.0
54.07161	1.0
56.69062	1.0
58.12929	1.0
59.01369	1.5
68.05309	1.2
71.41426	1.8
78.95949	1.2
82.03179	1.0
86.08781	1.0
113.02446	4.8
121.02970	100.0
122.03281	2.2
135.04558	2.1
155.03531	1.6
162.84102	1.2
171.10312	6.2
238.13161	1.3
255.17581	3.4
260.49335	1.1
261.30710	1.3
277.21744	6.8
323.50272	1.2
327.15936	1.6
449.19525	1.9
490.69604	1.1
571.23370	29.8
572.23608	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	667.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29362	0.6
53.41496	0.5
57.06883	0.6
58.02982	5.8
59.01387	3.9
61.98820	1.5
68.57451	0.6
69.34705	3.4
70.02998	0.7
71.01379	2.1
73.02939	1.1
73.98329	1.1
74.02482	5.6
79.75627	0.6
80.05064	1.0
82.02991	1.0
82.95433	1.8
83.01393	2.0
84.95129	8.6
85.02959	1.0
87.05624	0.8
87.65488	0.5
89.00687	3.9
89.02438	0.7
93.03510	0.6
96.04577	5.4
97.04084	5.3
98.02489	3.3
98.22707	0.6
99.05650	8.3
100.00411	2.4
101.02456	1.6
108.04557	6.0
109.04095	1.4
110.02525	1.4
112.04056	7.0
112.07706	6.3
113.02440	0.8
113.03584	3.5
115.02242	2.4
119.05047	2.3
122.02496	1.6
122.06135	2.2
124.04056	5.8
125.03578	1.4
125.04838	3.0
126.05629	2.2
127.05156	8.5
135.04529	1.3
137.07198	3.3
138.05653	1.5
139.08812	1.1
140.07190	11.0
143.04668	1.5
144.82622	0.6
152.03549	3.3
154.04942	0.7
155.08279	18.6
165.06696	13.1
166.05138	1.7
181.06247	1.0
183.07765	29.9
188.50005	0.7
196.02579	1.0
225.05223	2.4
227.06754	100.0
228.07071	2.8
242.04848	0.8
285.03986	1.2
317.08188	3.7
333.20816	0.8
343.13806	1.8
532.19836	1.4
549.38043	0.7
571.21246	2.0
589.22229	4.8
607.23541	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	668.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81158	0.6
56.37248	0.5
59.01382	1.1
65.00330	15.7
67.63180	0.5
67.89571	0.6
69.44643	2.6
69.66026	0.8
70.83073	0.7
72.08559	0.5
79.55965	0.6
82.00589	1.5
83.97070	0.6
86.06161	0.6
89.98758	0.7
92.99819	2.8
96.95996	0.9
96.99312	4.8
105.32790	0.6
108.99332	0.9
110.00111	14.8
120.99314	1.6
123.00869	1.1
136.98825	13.1
137.99654	5.3
164.98305	38.0
165.99084	13.6
169.06569	0.9
171.04514	1.6
173.06096	0.8
177.99069	1.4
178.99854	1.1
181.06618	1.1
196.64288	0.7
197.06111	1.8
199.04031	2.8
213.05565	1.3
221.69426	0.6
225.05595	1.7
227.03572	1.6
230.64549	0.7
241.05064	7.0
242.05948	1.0
243.06705	2.2
269.04559	100.0
270.05304	21.4
270.07858	0.8
271.06128	8.4
338.10364	4.2
356.12286	0.8
380.12390	1.7
398.13583	61.1
399.14044	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	668.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31554	1.4
57.44638	1.3
61.98833	1.7
81.63371	1.3
85.42163	1.6
113.02477	4.0
121.02970	100.0
122.02496	44.5
122.03362	3.0
131.64038	1.4
150.05568	1.6
171.29117	1.4
213.16536	5.3
255.17511	4.1
318.71091	1.6
327.16000	3.2
431.65118	1.5
449.19504	3.9
572.22968	36.3
573.23248	2.8
615.22852	2.2
687.45685	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	668.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02336	0.7
59.01357	1.0
60.99313	1.2
65.11401	0.7
68.10841	0.6
78.03481	2.0
87.00877	8.5
88.98809	4.3
89.02464	3.1
93.71396	0.7
113.02470	4.6
119.05004	1.4
120.13357	0.7
121.02966	25.6
121.97504	0.8
122.02493	100.0
123.02842	1.5
135.04546	0.8
155.03471	0.7
213.16559	2.4
255.17535	2.6
281.99710	0.8
327.15887	3.1
377.61685	0.8
449.19305	0.9
450.19391	2.4
504.81662	0.8
572.22937	33.2
573.23499	3.5
600.19470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.98529	0.2
66.39693	0.1
69.08363	0.9
117.79347	0.1
136.26472	0.2
146.41649	0.1
171.10294	0.7
254.82846	0.2
277.21747	0.5
278.22009	0.2
314.43854	0.2
325.18188	0.2
431.67542	0.1
445.21503	0.2
480.12863	0.1
527.17206	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	668.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69316	0.3
58.58746	0.3
59.07905	0.3
59.31968	0.3
60.20687	0.3
61.98835	100.0
69.91345	0.4
69.92299	0.8
70.06654	0.4
74.32207	0.3
80.91594	0.3
111.66889	0.3
277.21732	0.4
388.68985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09092	1.6
57.03450	2.8
59.01385	7.0
65.00301	2.0
70.69093	3.1
71.01391	1.9
73.02967	5.7
81.03466	9.2
81.13927	1.7
83.01395	6.8
84.03638	1.6
93.03474	4.4
95.05016	4.1
97.02962	5.2
97.30952	1.6
99.04532	8.6
101.02464	3.6
105.03470	1.7
107.01453	1.5
108.02213	9.6
109.02963	53.7
110.94127	9.9
112.02095	1.5
112.93819	6.0
117.14874	1.6
121.02974	11.5
123.04548	5.1
124.01701	2.7
125.02464	36.3
135.00935	2.1
137.02451	33.3
138.03239	5.9
139.04001	1.8
148.01645	1.9
149.02466	44.5
161.02481	5.4
163.00398	5.8
164.01126	13.9
165.01942	50.4
166.02727	28.6
167.03529	65.2
171.04568	2.1
173.02391	1.9
173.05971	1.7
174.03247	2.5
175.04037	17.4
176.01112	5.6
177.02005	4.7
180.71472	1.6
187.04051	1.7
187.23038	1.5
189.05557	2.6
190.99983	8.3
191.03519	3.6
192.00670	9.8
193.01437	54.1
197.05988	2.9
198.03181	3.3
199.04042	19.9
200.04550	1.6
201.01964	4.3
204.92305	10.7
206.92003	8.6
211.03952	4.1
212.04785	2.7
213.05560	3.2
215.03598	2.2
217.05077	14.9
219.03017	3.5
223.04018	5.5
226.02832	1.6
239.03659	2.9
239.06119	1.7
241.05087	27.8
242.02254	2.7
243.02971	6.9
256.03738	2.9
257.04684	4.0
259.06116	5.4
267.03024	45.5
268.03418	2.4
284.03152	7.6
285.04077	100.0
286.04214	3.3
303.05145	59.9
309.04242	2.4
355.06863	1.7
371.09875	31.1
381.08362	8.6
397.07770	32.0
398.08026	2.3
447.09564	8.6
465.10373	46.2
466.10553	2.7
489.10452	15.7
507.11459	76.5
508.11807	5.9
669.16705	16.5
670.17126	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	669.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.5
69.56387	9.8
69.56762	5.7
71.01393	14.6
71.28210	3.0
73.02970	7.1
74.96439	4.2
78.95893	4.0
81.03460	5.6
83.01372	4.0
85.74937	2.8
89.02457	14.5
97.02942	5.0
98.22577	5.4
99.04504	3.5
101.02457	13.8
103.72537	2.8
108.02187	4.9
109.02958	36.0
110.94109	37.2
112.93822	24.1
113.02451	3.4
119.03484	6.7
119.05025	4.4
120.64342	3.0
121.02969	12.4
123.04537	3.5
125.02460	29.4
135.00888	5.0
137.02461	27.4
138.03166	4.6
149.02460	47.8
155.08231	3.6
163.00421	5.2
164.01166	13.5
165.01935	38.3
166.02740	22.1
167.03497	40.4
168.94547	4.2
170.94351	3.0
174.03212	3.5
175.03996	17.5
176.01149	4.4
177.01981	4.1
190.99854	10.7
191.03427	3.7
192.00699	11.9
193.01428	72.2
199.04024	18.7
201.01958	3.9
204.92291	53.8
206.91995	43.7
208.91730	9.8
213.39169	3.2
217.05043	9.7
220.42772	2.9
223.04030	8.3
235.02527	4.2
241.05077	23.9
243.02977	6.2
255.03156	3.1
267.03015	79.6
268.03461	4.1
284.03314	9.5
285.04077	100.0
286.04532	4.4
303.05103	34.7
309.03940	5.8
323.13483	54.0
340.24881	3.8
355.06821	3.9
371.09735	27.5
381.07965	7.0
397.07791	42.0
447.09399	12.0
465.10403	21.2
489.10498	28.0
507.11469	64.8
539.18408	3.3
559.13354	4.3
581.26001	6.5
625.28174	8.6
669.16284	8.5
669.31171	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	669.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.5
59.01369	4.0
65.00330	8.7
65.99833	1.9
69.20929	8.1
69.83124	1.2
77.41705	1.1
82.02998	2.5
83.01451	1.5
92.99833	1.6
93.50285	1.1
95.30204	1.1
96.99338	1.6
98.02478	4.1
99.75674	1.1
108.04559	1.4
109.02928	1.5
110.00091	5.5
110.02479	3.4
111.00893	4.5
117.03466	2.3
122.02502	2.9
123.00843	1.4
123.04614	1.2
124.01659	2.4
124.29067	1.4
125.02470	9.3
133.02959	2.7
134.02495	2.0
134.03758	2.3
135.04550	6.0
136.00439	2.1
136.98825	3.7
137.03574	1.5
138.01993	10.9
139.02771	1.5
140.03561	6.6
143.11163	1.2
144.04594	1.4
146.06058	1.2
148.03992	2.2
150.01991	5.8
150.05611	1.2
151.00385	1.4
153.06647	1.7
158.02457	1.4
159.04486	2.0
160.04018	1.8
161.02470	14.6
162.01959	1.6
163.02911	1.2
164.03529	1.5
164.98311	11.3
165.98897	4.9
166.01443	3.6
167.04819	1.4
171.04497	2.7
172.03983	1.9
173.06078	1.2
174.05568	3.3
176.03508	2.5
179.04726	1.2
186.05556	1.8
188.07123	1.3
192.03047	6.7
198.05530	1.8
199.04073	2.2
200.03641	2.1
201.01952	1.7
202.01529	3.7
204.03012	2.8
211.17769	1.2
213.05542	1.8
214.05142	2.4
216.02963	2.9
216.06725	1.7
219.04129	1.8
221.05730	4.3
225.05455	1.5
227.07245	1.7
232.02504	2.5
238.04953	1.6
240.06656	2.9
241.05069	2.4
242.04616	3.9
244.02588	2.6
247.03595	2.6
253.05194	1.9
256.06152	1.9
261.05215	1.6
266.04721	1.3
268.06177	4.3
269.04538	24.2
270.05011	16.0
270.07626	2.0
271.05832	2.8
282.03943	1.4
284.05725	1.5
285.04550	2.7
293.21475	1.1
294.07886	1.5
296.05847	1.6
300.05157	3.0
302.06677	2.4
306.07620	1.5
310.03644	1.4
324.08817	1.8
327.06256	2.3
334.07300	1.9
371.05283	1.3
392.07617	2.6
398.13644	7.8
399.13956	10.2
433.10309	1.5
461.95389	1.3
475.11652	11.4
507.14099	8.6
533.08423	4.7
554.10913	1.6
555.12354	1.8
565.11060	7.2
619.14673	1.6
637.14709	19.7
638.16235	1.7
651.16089	2.1
669.17310	100.0
670.17340	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	669.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52426	2.1
65.00335	5.8
65.99870	3.1
68.99812	2.6
69.05921	6.0
69.06348	6.7
73.02974	1.7
81.03481	3.8
82.02975	3.6
96.96017	2.1
120.00904	2.0
124.04052	3.5
136.00406	2.3
143.05180	2.7
148.04005	2.5
154.71518	2.0
156.08189	2.1
163.99791	2.1
165.00653	5.0
166.29688	1.9
171.04550	6.6
180.08194	2.1
182.06067	1.7
184.14241	1.8
208.56593	1.9
220.07765	1.9
225.05676	2.1
226.08665	6.6
242.05846	2.3
242.08147	9.7
248.07147	3.7
248.10602	2.2
250.08850	3.0
252.06583	2.7
255.06696	2.7
267.93939	2.1
268.06183	4.7
269.04437	3.0
269.07126	2.8
270.07697	18.7
271.06177	6.8
274.08884	2.4
276.06708	2.6
280.06152	2.7
294.07742	6.8
296.05722	5.3
335.10513	5.1
338.11801	2.1
380.12924	6.2
385.09222	3.2
398.13971	36.1
424.12369	2.0
442.12924	5.3
445.10406	2.1
466.12900	18.4
488.14948	2.9
505.18039	3.1
510.12192	2.6
549.16748	100.0
550.17157	8.0
593.15674	51.2
594.15887	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	669.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40653	0.9
58.44258	0.9
59.01369	3.3
65.00325	2.9
65.99860	2.0
66.03510	1.1
68.35901	1.0
70.76506	1.6
71.01402	1.0
95.01399	4.1
96.00938	1.8
97.02939	1.7
98.02473	2.2
101.02439	1.4
110.02493	2.3
117.03505	1.5
120.86532	1.0
122.02457	1.1
123.00905	1.6
123.03241	4.4
133.02917	1.1
134.02472	5.1
134.03687	2.0
135.03291	3.4
135.04530	4.6
136.00391	4.8
136.04031	2.0
138.01959	4.2
145.06532	1.6
151.02730	6.1
161.02484	5.5
161.04573	1.3
162.01947	3.1
164.03630	1.5
164.98347	3.6
165.00705	1.2
171.04498	3.6
175.99699	1.0
176.03589	2.7
179.52556	0.9
181.06618	1.3
192.02986	3.4
198.05647	1.3
200.07133	1.8
204.03020	7.3
206.04688	1.9
216.03146	1.8
220.67436	1.0
224.07141	1.3
226.08696	2.2
227.07137	7.2
228.06573	1.3
240.06786	1.4
240.24219	0.9
241.05086	1.8
242.08255	37.8
244.02438	1.4
250.28154	1.0
255.06755	1.4
265.08664	3.1
268.06174	3.2
269.04504	9.5
270.07733	100.0
271.08157	2.2
276.10303	2.4
279.69803	0.9
280.06140	2.1
284.12906	1.6
294.07950	1.3
296.05746	2.0
296.08951	1.2
306.07776	1.9
308.09055	1.0
320.09271	2.9
322.07208	3.4
326.15131	1.9
336.13525	4.4
346.10867	1.6
348.08881	1.6
351.09769	1.3
354.14542	7.0
364.08133	1.9
366.05927	1.2
389.11536	2.0
392.07904	5.2
398.13565	3.1
399.12106	1.9
407.12482	2.8
414.10220	1.4
420.46945	1.0
431.12366	3.9
433.10190	2.2
457.10529	2.5
475.11469	17.8
476.12381	1.5
501.09354	3.3
533.12415	5.4
554.11047	4.1
555.11121	1.3
593.15601	1.6
619.13293	4.9
627.34326	1.7
637.14520	25.7
638.15106	3.3
669.17163	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	669.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03675	0.5
58.04107	0.7
58.52576	0.4
61.10508	0.4
65.00319	1.0
70.14297	0.9
82.02976	0.6
82.09245	0.4
82.72396	0.4
85.76939	0.5
94.02946	0.6
95.01405	2.6
96.33521	0.5
98.02541	0.4
110.00101	1.0
110.02492	3.2
119.13746	0.4
122.02498	1.2
123.03270	4.2
134.02499	3.6
135.03282	5.8
136.00443	2.3
136.98795	0.7
138.01955	3.1
151.02777	4.7
155.02243	0.9
157.06615	1.0
161.02515	0.5
164.98303	1.7
165.99037	0.8
166.01469	1.8
171.04567	0.6
171.08076	0.4
173.06107	1.1
177.05527	0.7
178.99818	0.7
181.06714	0.6
185.06131	0.5
188.07181	0.7
192.03024	2.6
193.80786	0.4
197.06084	0.8
199.07564	1.0
200.07191	1.2
209.06200	0.5
224.07216	0.7
225.05623	0.6
226.08835	2.3
227.07170	8.5
228.06737	1.6
232.09642	0.5
237.88692	0.5
242.08249	38.8
243.08614	0.9
248.10344	1.1
265.08728	2.7
266.11975	0.8
269.04544	4.5
270.07730	100.0
271.08185	4.8
276.10413	1.1
277.08508	1.0
282.16217	1.4
284.12970	1.1
294.11310	2.3
296.05688	1.1
326.15170	3.5
336.13467	4.5
354.14615	8.2
371.56009	0.4
398.13525	1.2
399.12097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04102	0.7
65.00328	2.3
66.52731	0.5
69.15339	3.3
70.74874	0.6
75.41100	0.6
83.01411	0.6
95.01401	2.2
110.00111	2.4
110.02500	3.1
111.00787	0.7
112.73729	0.6
117.32490	0.5
120.99371	0.6
122.02461	0.7
123.03262	4.2
134.02487	4.7
135.03304	3.7
136.00389	2.1
136.98796	1.5
137.99596	0.7
138.02000	2.2
151.02774	4.3
155.02274	1.3
157.06567	0.9
164.98328	4.1
165.99048	1.4
166.01421	1.2
171.04529	1.3
171.08128	0.7
173.06046	0.9
176.01015	0.6
177.05588	0.7
179.02295	0.6
181.06639	0.9
192.03062	2.7
197.06073	1.0
199.07742	0.8
224.07150	0.9
226.08818	2.3
227.07123	7.5
228.06735	1.7
241.05008	1.3
242.08247	38.8
243.08647	1.2
248.10408	1.2
252.06612	1.2
265.08722	3.2
268.06226	1.1
269.04575	12.1
270.05432	4.3
270.07739	100.0
271.08411	4.0
276.10281	1.6
277.08783	1.0
282.16043	1.7
284.12949	1.4
294.11456	1.5
296.05460	0.8
326.06689	0.7
326.15082	3.3
336.13651	4.6
354.14716	7.6
398.13696	3.7
399.12787	0.8
437.14630	0.9
669.17706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29110	0.5
58.04076	0.8
59.01354	0.7
65.00323	2.6
68.91141	0.5
70.71311	0.5
77.26267	0.5
92.99821	0.6
95.01391	2.4
96.00930	0.9
96.96062	0.8
110.00090	2.5
110.02497	3.4
122.02493	1.6
123.03269	4.6
123.04564	0.8
124.00406	0.6
134.02472	4.0
135.03285	5.4
136.00427	1.9
136.98816	2.0
138.01979	2.1
139.02773	0.7
145.06589	0.7
151.02782	5.1
154.69435	0.6
155.02266	0.7
157.06496	1.0
161.02423	1.3
164.69919	0.5
164.98314	4.2
165.99088	1.2
166.01476	0.9
167.03563	1.4
171.04558	0.8
173.06122	1.6
192.03062	3.4
200.07307	1.0
224.07228	1.1
226.08746	2.1
227.07161	8.7
228.06737	1.3
239.03461	0.9
241.05135	0.8
242.08247	40.2
243.08492	1.5
244.38071	0.6
248.10403	1.8
250.06477	0.9
252.06706	1.0
265.08710	2.3
267.03101	1.0
267.09845	0.6
269.04581	10.7
270.05469	4.0
270.07742	100.0
271.08344	4.6
276.10312	1.3
277.08887	0.9
280.06128	0.8
282.16306	1.3
284.12927	1.6
294.11404	2.3
315.18509	0.6
326.07019	0.7
326.15079	2.9
336.13550	5.3
354.14581	8.7
398.13498	5.1
399.12140	0.9
509.22928	0.6
637.14740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17605	0.7
59.01360	0.9
62.86520	0.8
69.47765	3.2
78.03488	2.7
113.02432	1.7
114.22729	0.7
122.02497	100.0
123.02852	2.0
136.04062	1.1
143.96947	0.9
150.05644	0.9
155.03596	1.2
182.32077	1.0
213.16507	2.9
217.03911	0.8
255.17566	2.3
327.15991	3.1
416.60098	1.1
450.19168	3.6
473.26935	0.7
573.22400	24.7
574.22339	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	669.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.4
57.03455	5.5
59.01384	89.3
69.03439	4.2
69.65926	6.0
71.01389	90.2
72.99301	7.1
73.02950	53.1
82.14548	2.5
83.01395	21.1
85.02961	42.7
87.00872	15.0
89.02451	39.1
95.01395	7.9
96.96014	9.4
97.02936	11.9
98.22574	4.4
99.00897	26.2
101.02449	57.4
108.02150	4.1
111.00959	2.7
113.02469	52.7
115.03992	5.3
116.79974	2.6
119.03522	3.4
119.05021	12.8
123.00912	2.8
124.01682	4.6
125.02448	28.2
127.11292	4.1
131.03529	6.2
135.04529	4.7
143.03517	31.8
145.02974	5.4
146.03276	3.6
149.04521	2.8
153.01964	4.1
159.02965	6.9
161.03650	2.1
161.04601	21.9
163.04030	3.2
167.03528	3.4
205.04948	3.3
223.06177	2.4
269.04547	5.5
287.05707	20.0
289.16580	18.0
352.32504	2.4
403.05939	2.9
403.19785	4.7
421.20828	100.0
422.21155	5.6
451.21960	4.1
463.21823	40.0
487.21701	4.3
496.60114	2.8
547.23834	9.7
565.25049	77.5
565.33801	4.3
566.25201	3.9
583.26080	92.5
625.27155	40.2
626.27441	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	669.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
55.79095	2.2
57.03455	4.3
59.01385	69.8
60.28721	1.6
69.03460	4.2
71.01389	74.3
72.99327	4.0
73.02950	33.0
75.00884	2.7
81.03468	2.0
83.01394	12.1
85.02962	27.9
87.00881	5.6
89.02457	27.8
93.96978	1.6
95.01418	5.8
97.02961	10.4
98.67439	1.7
99.00888	14.8
100.45629	1.8
101.02450	45.5
111.00832	2.2
113.02454	26.9
119.03551	3.3
125.02463	22.8
131.03482	5.0
137.02373	2.0
143.03528	7.6
149.04567	5.5
157.12181	2.0
159.03040	5.8
161.04594	18.0
179.05614	2.1
245.06726	2.0
289.16678	10.4
336.07715	1.9
342.44778	1.9
403.19547	10.0
421.20862	32.1
423.92560	2.0
433.20862	15.3
451.21951	6.9
457.48621	1.9
493.23285	4.5
547.23657	2.1
565.25085	93.1
566.25238	5.7
583.26141	100.0
584.26563	7.9
625.27002	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	669.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34835	1.2
55.01877	3.3
57.03445	4.3
58.00612	1.2
59.01385	88.5
64.54546	1.0
67.01900	1.5
69.03468	3.5
69.33421	6.7
69.88754	1.2
71.01389	65.2
72.99294	1.8
73.02953	21.5
75.36918	1.2
81.03452	1.5
83.01398	10.3
85.02960	20.9
87.00891	4.8
89.02454	38.4
95.01408	5.5
97.02962	8.8
98.21845	2.4
99.00899	7.4
101.02448	47.1
106.14955	1.2
107.01412	1.5
111.00895	4.1
113.02462	21.8
113.03239	1.5
116.28455	1.1
119.03506	4.3
125.02460	24.9
129.01962	1.4
131.03529	12.8
139.03983	2.1
143.03539	8.0
149.04585	7.1
159.02983	2.7
161.04550	13.8
179.05708	1.5
191.05618	2.1
221.06717	1.4
233.06683	1.5
245.06602	1.3
275.08151	1.3
289.16617	7.7
421.20853	38.4
422.20670	1.7
433.20929	7.0
451.22095	2.6
463.21866	1.9
565.25024	42.9
565.33844	2.4
583.26129	100.0
584.26398	6.9
612.84363	1.3
615.07983	1.4
625.27075	24.0
626.27026	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	669.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.1
57.00134	2.6
57.03454	5.0
59.01385	100.0
61.98833	3.6
69.03468	7.0
69.07014	18.9
71.01389	88.3
72.99294	3.1
73.02953	40.6
75.00894	3.7
75.62772	2.8
83.01397	19.7
85.02956	44.4
87.00894	11.8
87.04520	3.6
89.02460	40.0
94.04697	2.6
94.05326	3.1
95.01398	7.8
96.96016	12.0
97.02953	11.0
97.75970	3.1
98.21780	6.0
99.00909	19.9
101.01809	3.4
101.02460	55.4
113.02464	45.4
113.30890	3.1
115.03971	3.4
117.03359	2.8
119.03510	5.8
119.04992	3.8
125.02480	20.7
127.11282	7.0
135.04565	6.5
143.03500	23.3
149.04529	4.3
159.02995	4.6
161.04582	22.3
195.99847	2.9
255.03035	4.0
287.05920	4.0
289.16528	15.0
403.19824	4.6
421.20892	70.3
433.05597	3.5
463.21985	26.7
493.22708	4.7
499.53467	3.0
539.06354	3.4
547.24323	6.4
556.64624	3.1
565.25049	57.4
566.25391	4.4
583.26117	68.7
584.26080	4.4
625.27087	24.0
669.40686	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	669.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99190	0.8
58.02978	1.1
59.01387	85.5
61.98830	3.1
65.00295	0.9
71.01398	1.8
71.42605	0.8
74.02483	1.6
78.95927	1.7
79.86562	0.7
82.02999	2.9
82.95451	1.4
83.01411	0.9
84.04552	1.9
85.02969	1.2
86.02489	15.9
88.04048	1.8
88.98824	0.7
92.79500	0.7
96.04575	1.4
96.96077	1.3
98.02507	1.0
101.02454	0.8
106.56052	0.8
108.04581	2.0
109.02966	1.4
109.07724	1.8
110.00098	2.1
113.02459	1.1
115.02212	1.0
117.03464	5.1
119.05031	3.1
124.21813	0.7
127.05180	3.9
127.08792	15.9
128.03557	100.0
133.02985	1.0
135.04578	2.6
136.98848	1.4
137.02472	1.6
152.03496	1.3
152.99599	0.9
153.06703	6.5
161.02454	2.2
164.98523	0.9
165.99091	2.8
171.07774	70.6
172.08185	0.9
174.84576	0.8
175.03894	0.9
179.04645	2.8
180.00717	0.9
181.01418	0.8
187.03934	1.2
196.02522	5.1
215.06757	14.6
253.05058	1.8
255.02972	1.3
283.02454	2.6
284.03284	1.0
285.03894	1.8
286.04846	5.5
299.05582	1.2
301.07217	14.3
344.76602	0.8
358.04556	0.9
453.19562	3.1
465.25275	1.0
485.82608	0.8
540.22803	35.8
541.22986	1.9
637.13867	1.6
651.26080	3.9
669.16821	2.4
669.27020	36.7
670.27185	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	669.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55459	0.7
57.03450	0.8
59.01091	1.0
59.01384	19.0
69.46728	4.0
69.94804	0.7
70.78099	0.7
71.01380	9.6
73.02934	0.9
76.18510	0.8
81.03449	0.9
82.87171	0.7
85.02911	1.7
89.02458	9.4
95.01371	1.0
96.96011	1.0
97.02907	1.0
98.22008	1.2
101.02446	6.1
113.02433	4.4
119.03505	4.3
122.27195	0.8
135.04506	1.3
150.03192	1.9
161.02480	1.0
165.05562	2.2
167.03496	3.1
179.03435	2.2
179.05602	1.8
195.06625	3.0
203.07133	0.9
209.04576	1.8
209.08189	1.1
255.10367	0.9
257.99893	0.8
269.11847	0.9
283.09848	2.1
283.13382	3.4
285.11377	1.2
285.60449	0.9
297.11450	0.8
299.12845	1.5
301.14496	18.3
309.15381	0.8
327.12399	1.2
327.16052	10.8
329.14227	3.9
329.17456	1.6
343.15540	1.9
344.16339	8.3
345.17087	100.0
346.17462	5.9
462.63312	0.9
489.21228	3.4
507.22339	11.0
508.22305	1.2
549.15497	0.9
669.27594	57.5
670.27795	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21554	0.5
59.01385	13.9
61.98856	0.6
71.01385	6.9
72.97009	0.4
82.15379	0.4
85.02973	1.7
89.02452	6.9
92.36777	0.5
96.96022	0.5
98.21904	1.6
101.02460	5.2
112.56962	0.4
113.02466	2.5
119.03503	3.7
132.97488	0.5
141.87752	0.4
143.03491	0.5
179.05617	1.0
189.05569	1.0
215.07124	0.5
229.31142	0.5
246.79958	0.5
255.10301	0.8
267.10303	0.5
268.11234	0.6
269.11880	3.3
271.13498	0.5
273.14917	0.8
281.12021	0.5
283.09732	2.0
283.13428	1.4
285.11346	1.7
286.12167	1.0
295.13211	0.6
299.12814	1.5
301.14487	21.2
302.15039	1.2
313.14505	1.8
315.16248	0.8
327.12488	1.5
327.15961	7.8
328.12897	0.5
328.16479	0.7
329.13974	4.6
342.06760	0.5
343.15457	2.3
344.16299	8.5
345.17081	100.0
346.17352	5.9
444.70279	0.5
489.21191	4.0
507.22498	1.4
609.56165	0.5
669.27698	54.2
670.27979	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	669.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16821	0.7
57.03460	0.9
58.13424	0.8
59.01388	11.5
60.21469	1.1
68.25780	0.8
69.10000	1.9
69.10413	3.4
71.05023	3.4
96.96025	3.0
97.06592	0.8
98.21935	1.6
99.04517	4.0
101.06079	1.1
113.02515	4.0
113.06036	0.9
116.73066	0.9
117.05587	35.8
121.02966	100.0
122.03323	1.4
135.04492	0.9
141.05585	10.8
159.06647	13.9
165.24593	0.8
171.10284	2.2
171.54054	0.9
171.89359	0.9
197.75967	0.9
213.16547	2.5
221.08153	1.2
232.71236	0.8
255.17627	5.8
279.23392	1.5
309.17285	4.5
327.16150	1.2
379.36172	0.9
440.51620	1.1
449.19617	2.0
603.30438	1.0
609.27081	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	669.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.8
59.01386	100.0
61.98840	4.5
63.10186	1.6
69.47929	7.1
71.01390	39.8
72.99297	1.9
73.02948	19.7
83.01414	5.4
83.05041	1.9
85.02960	11.2
87.00878	3.2
89.02454	36.2
95.01392	5.1
96.96036	11.4
101.02447	22.7
110.06125	3.2
113.02467	38.5
115.47450	1.7
119.03513	16.9
119.05046	4.5
120.08181	6.3
121.08479	1.7
122.06157	8.3
128.03514	1.9
131.03503	4.2
133.10194	2.0
135.04582	2.1
143.03519	5.4
161.04645	9.7
179.05658	8.6
222.32065	1.5
227.06827	2.4
251.11845	5.7
267.30649	1.8
277.09769	2.5
285.04218	2.9
291.11258	3.0
292.11990	4.7
293.12860	4.8
294.13199	1.8
301.06772	1.8
337.11932	2.3
372.17029	1.8
395.20746	2.8
414.18005	2.2
433.05161	2.0
440.12592	1.8
476.18295	1.8
477.18466	2.4
508.21140	4.1
516.14832	2.1
546.16180	2.2
555.25830	2.5
565.33698	9.5
583.35034	3.6
599.25171	11.5
600.25244	2.1
601.25885	2.2
613.26544	2.0
631.27777	16.6
632.27966	2.7
633.28796	7.5
639.21985	3.4
669.22565	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3864
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
52.57671	0.4
56.43307	0.4
59.01382	3.0
61.98834	2.5
69.44027	0.4
71.01386	1.2
73.02962	0.5
74.99111	0.6
80.34547	0.4
80.91697	3.0
82.95424	16.5
85.02933	0.8
93.03442	0.4
95.05052	0.5
96.96028	0.7
99.92609	0.7
108.04661	0.4
113.02457	0.7
116.92865	3.3
117.03490	0.6
118.14334	0.4
119.05022	1.5
121.06574	0.4
123.08118	0.5
132.02196	0.6
133.03053	0.5
134.03737	1.3
135.04488	2.8
135.08188	1.0
139.11299	0.9
145.27043	0.4
149.02489	0.5
149.06056	1.5
150.06877	52.8
151.07281	1.9
152.03528	0.5
153.09265	0.4
160.01657	1.7
161.02467	1.2
161.09753	0.9
162.06859	1.0
163.07681	7.2
164.08444	15.6
165.08778	0.5
175.04022	1.2
177.09233	0.6
178.09958	1.6
178.99678	0.5
179.03526	1.3
179.10791	30.2
180.11134	0.6
185.11852	6.0
193.04997	0.6
196.02596	0.8
214.12080	1.0
248.85446	0.5
285.04019	0.6
291.19690	1.5
306.18356	1.1
307.19376	0.4
309.20871	0.9
311.68631	0.5
315.05188	0.9
325.06863	0.5
325.10870	0.6
327.21793	20.3
328.22070	1.0
343.04608	0.8
357.94925	0.5
471.31671	0.5
489.32327	5.5
490.32336	0.5
492.30908	1.8
506.32703	4.4
507.33310	34.9
508.33502	2.6
521.35016	1.4
549.34302	1.7
625.24835	0.8
669.38605	100.0
670.38873	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	670.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08661	0.2
57.13270	0.2
59.01366	0.2
61.51880	0.2
61.98837	100.0
66.91946	0.2
69.16159	0.5
69.16562	0.8
83.68719	0.2
91.24393	0.2
97.29246	0.2
113.02455	0.2
132.87340	0.2
164.38202	0.2
173.13298	0.2
324.61328	0.2
527.94550	0.3
607.22534	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49059	2.5
65.99857	5.9
66.27091	2.3
68.99828	3.2
78.95895	2.2
95.61691	2.2
96.00980	2.5
109.01703	2.3
115.43948	2.5
119.05032	33.4
119.63537	2.3
120.00951	3.0
122.02511	2.2
123.03248	3.7
129.00368	1.8
133.56625	2.0
135.03267	4.4
136.00420	7.5
138.01955	4.4
151.02760	6.0
154.62753	1.9
162.26778	2.0
163.99863	5.2
165.00710	4.5
166.01463	2.5
192.49104	2.3
196.03992	2.2
211.93834	2.2
215.76607	2.2
224.03468	4.0
226.08664	3.3
236.03426	2.6
242.08237	32.4
252.03085	5.5
254.04607	4.5
269.04440	3.7
270.07727	100.0
271.08176	4.4
280.02557	20.9
280.05887	3.8
284.05652	8.4
285.06418	3.0
286.07211	9.6
384.08871	33.2
397.87247	2.4
400.08276	56.2
401.08362	3.1
459.99585	2.6
548.95154	2.6
671.17590	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	671.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99860	8.1
68.99854	1.0
69.52481	3.4
78.18553	1.1
93.03465	5.8
94.02953	1.0
96.00934	1.4
109.01772	1.5
110.02454	1.7
118.03049	1.1
119.05039	30.1
120.00928	2.2
122.02557	1.4
123.03280	1.3
134.02495	1.5
136.00432	4.8
136.04050	1.6
138.01959	3.2
140.03549	1.0
151.02724	2.3
152.03539	4.5
156.03088	1.2
163.99875	2.8
165.00687	4.5
166.01511	8.0
171.04439	1.4
175.99933	6.3
180.02982	3.4
180.04395	1.2
190.01360	1.0
192.03040	2.4
192.04646	1.3
196.04041	2.2
202.01280	1.2
208.04028	3.6
210.05484	1.2
236.03575	4.1
238.05019	2.3
240.06627	1.3
242.08261	15.4
252.03090	3.3
254.04617	4.4
258.07639	1.3
268.06177	8.1
269.06894	2.9
270.07733	25.8
280.02551	46.9
281.03110	4.4
282.04010	3.0
284.05765	1.6
286.07233	43.8
294.04111	3.1
296.05692	1.4
306.03998	2.4
345.29089	1.1
384.08841	16.1
385.09091	1.3
400.08301	100.0
401.08795	7.8
402.10052	1.5
577.12775	2.3
693.56952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12653	1.9
59.01380	8.3
65.00321	13.7
65.99847	6.3
68.97090	2.0
68.99806	3.9
71.01376	4.8
73.02956	4.3
81.03461	2.7
81.79336	2.2
82.00597	3.6
82.02998	3.2
83.01369	3.6
84.04559	3.0
85.02946	2.6
92.01424	1.8
93.03443	1.9
95.01417	2.9
96.96037	5.3
96.99307	3.2
98.02457	12.1
101.02510	3.7
109.02930	2.2
110.00117	12.9
110.02507	6.1
111.00903	3.9
113.02460	2.9
120.99374	2.6
123.00858	3.1
124.01689	9.3
126.01978	5.5
128.58005	2.1
134.02437	4.5
134.23320	2.1
135.04565	4.3
136.00421	14.4
136.03954	2.3
136.98853	11.8
139.00415	4.0
140.03624	3.0
145.06584	7.4
149.01216	2.4
151.03937	2.0
152.01155	4.9
157.06631	3.4
159.04449	3.2
160.04063	1.9
161.02455	5.5
161.04485	2.3
163.99983	3.6
164.98305	20.0
165.99109	7.4
166.99872	3.8
169.01646	2.0
169.06625	3.1
171.04585	12.4
173.06110	12.0
185.06133	2.6
187.07649	3.8
188.07172	3.0
197.06082	2.9
199.03951	4.0
201.05679	3.3
201.16803	2.0
208.06143	3.8
225.05544	7.5
227.07077	2.3
240.06708	15.7
241.05128	4.7
242.08243	9.2
243.06624	25.5
243.08746	4.0
250.08636	1.9
253.05014	7.5
261.14948	2.4
263.27289	2.0
268.06137	17.1
269.04547	47.8
270.05106	7.8
270.07715	17.9
270.10544	2.9
271.05936	29.2
271.08624	3.2
272.08560	2.6
280.06186	2.7
294.07794	4.0
296.05719	5.3
326.10361	2.7
366.06183	9.3
369.10742	11.7
388.08322	4.6
394.05490	6.5
399.12329	3.0
494.12308	8.7
547.13538	3.6
653.17853	8.9
671.18817	100.0
672.18964	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	671.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01030	2.1
59.01375	5.4
65.00319	19.3
65.99840	4.9
69.35503	12.1
71.01394	3.9
71.16849	3.1
73.02953	2.7
82.02979	3.2
83.01392	5.9
92.99846	5.3
93.03475	2.9
95.01396	6.8
95.61668	2.8
96.99329	3.8
98.02494	7.4
101.02425	3.5
102.24495	2.4
104.84672	2.5
105.51208	2.7
110.00108	12.2
110.02494	3.9
111.00883	7.4
117.03480	6.3
119.05024	2.8
122.02517	2.8
124.01675	6.0
134.02481	6.1
136.00459	14.2
136.01379	2.9
136.98828	16.0
138.01987	3.2
139.00346	4.7
140.03540	3.1
145.06593	5.8
145.89087	5.1
148.04103	2.6
150.01936	3.7
152.01140	5.9
154.99867	5.0
159.04521	5.1
161.02432	15.1
162.77272	2.5
163.99930	6.0
164.98331	29.5
165.99022	7.3
166.01491	3.6
166.05077	5.0
166.99777	2.8
171.04536	14.0
173.06091	8.0
175.04018	3.3
185.06104	2.7
187.07700	3.3
190.05128	2.5
197.06078	3.2
199.04134	4.4
208.06161	9.4
225.05496	4.6
226.08746	2.8
227.07089	4.8
236.57341	2.6
240.06741	18.7
241.05035	3.5
242.08221	16.5
243.06554	21.3
243.08600	4.8
250.08673	3.1
253.05174	7.2
268.06152	26.9
269.04535	52.1
270.05112	9.2
270.07742	34.0
271.05853	35.6
271.08200	7.6
272.08316	3.7
294.07666	5.4
296.05588	6.8
369.10855	8.7
388.08109	3.2
413.46075	2.5
494.12537	7.8
504.41846	2.7
513.34998	3.7
547.12946	3.3
548.93750	3.3
629.35925	3.5
653.00061	12.5
653.17969	10.3
671.18890	100.0
672.18921	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	671.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61491	0.6
61.71365	0.6
61.98848	0.7
65.00327	0.8
65.99849	1.3
68.99806	0.8
74.41270	0.6
82.11343	0.6
93.65107	0.6
96.00932	1.3
96.60155	0.6
96.96023	0.8
97.91220	0.7
98.02491	1.6
110.02477	3.3
119.05018	0.9
122.02519	1.3
123.03306	3.5
126.01970	1.2
133.02963	1.8
134.02505	5.7
135.03296	4.9
136.00421	2.5
138.02013	2.1
147.04562	2.0
148.33548	0.6
149.02374	0.7
151.01660	0.7
151.02748	4.2
155.02257	1.0
160.84195	0.6
163.99925	0.8
165.00670	1.3
165.04309	0.7
166.01476	1.3
171.04613	0.8
175.04033	2.1
176.03554	1.3
180.75429	0.6
190.05090	6.6
191.03665	1.0
192.03099	2.6
200.07233	0.7
201.01819	0.8
207.05376	1.7
207.85631	0.6
218.04657	1.9
222.07738	1.5
226.08766	2.2
228.06691	1.7
234.04048	2.5
242.08253	39.5
243.08621	1.1
252.06638	1.0
255.06668	0.8
268.06293	2.4
269.07074	1.3
270.07739	100.0
271.08255	3.1
284.12964	0.8
296.09253	1.1
324.08792	0.8
328.11914	1.1
330.35126	0.6
334.24493	0.6
338.10522	0.8
340.08398	1.8
353.11481	1.8
368.07956	1.0
375.43362	0.7
400.10403	3.6
489.63364	0.7
577.16577	1.2
581.18573	0.9
671.16675	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	671.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	1.9
65.99848	2.4
68.99811	2.2
69.37952	2.3
69.38338	2.3
73.02945	1.5
81.03471	5.9
82.02999	3.5
83.01414	2.3
92.12162	1.0
98.02489	2.1
98.22000	2.4
99.00899	3.0
106.02995	3.2
107.01419	1.7
109.02933	2.0
110.02485	4.3
111.00864	1.7
119.05049	3.7
120.00967	1.3
122.02502	2.4
123.03293	4.0
123.04563	2.3
124.04050	10.1
126.01978	2.4
130.02975	2.8
134.02480	6.4
135.03264	4.8
136.00423	2.9
138.01993	2.8
140.32483	1.2
146.02490	2.9
148.04028	1.7
149.02502	1.1
150.01981	4.2
151.02763	5.3
151.03932	1.8
152.03517	2.2
154.99864	9.9
163.99892	2.1
165.00636	2.1
166.01472	3.0
171.04480	2.4
174.02019	5.5
175.04100	1.4
175.99925	1.6
176.03491	1.5
178.01547	3.5
179.02281	1.4
188.03419	1.5
189.05605	3.9
192.03012	5.2
194.04619	4.0
200.03596	1.2
200.05562	1.5
207.04175	2.0
209.06073	1.0
210.04089	8.7
211.07697	1.6
218.04750	1.6
224.07150	1.4
226.05190	1.4
226.08707	1.9
228.06740	1.5
231.04253	1.4
236.01906	5.1
236.07187	1.9
238.03632	2.9
240.06616	1.3
242.08243	45.2
247.06152	8.4
248.86444	1.0
268.06207	6.3
270.07730	100.0
271.08081	4.1
278.08261	13.9
280.06146	1.6
282.07724	7.6
286.07178	1.3
292.09940	1.2
296.05630	14.4
297.06250	1.1
300.08801	6.7
314.10471	1.5
314.47675	1.3
322.07123	4.8
323.07651	1.3
335.10419	6.8
353.11469	15.3
354.09796	14.5
368.07498	1.3
382.09363	2.7
400.10477	2.7
407.08783	20.5
418.08670	1.2
458.12152	1.3
481.12424	3.5
497.09787	2.6
509.12152	3.9
521.16418	1.0
525.14954	2.5
529.12628	6.8
533.12042	2.0
535.15295	1.9
565.14880	2.1
639.16718	1.7
671.18896	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	671.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
60.49535	1.2
65.00330	3.0
65.37162	1.4
65.99851	2.6
68.99801	1.7
69.88208	1.5
69.88536	3.6
82.37035	1.3
83.01402	3.1
84.95123	5.8
87.90098	1.4
95.01416	7.0
95.04979	1.7
96.00919	1.4
98.02489	1.7
109.02979	2.1
110.02522	7.4
111.00887	15.2
115.75710	1.3
119.05080	3.0
120.00907	1.9
120.30874	1.2
121.02943	1.5
122.02467	1.9
123.03265	5.0
123.04498	4.2
124.00410	2.9
124.04057	2.6
125.02462	2.0
125.21893	1.4
126.01976	4.6
127.00384	3.1
134.02496	6.7
135.03302	8.1
135.04176	1.2
136.00423	8.9
136.04025	1.6
138.01987	5.8
139.00323	1.4
140.03450	1.4
148.03993	4.6
149.02406	2.3
151.02737	6.8
151.03937	2.5
152.03542	1.5
153.01939	2.2
154.01477	1.6
154.98613	2.0
154.99875	37.6
161.06131	1.3
162.02043	1.8
163.99884	4.9
165.00700	4.0
166.01402	3.9
167.03488	2.3
171.04480	2.4
173.06097	2.0
175.99985	1.9
176.03510	5.7
177.01918	2.9
178.01315	1.4
192.03055	8.4
194.04610	2.5
195.02950	3.3
196.02499	1.9
204.03006	2.9
210.04059	1.7
218.01019	1.9
220.02493	11.3
222.04108	1.4
226.05086	2.0
226.08731	3.0
238.03575	32.6
240.06784	2.2
242.08241	52.4
252.06599	1.9
255.04178	1.3
255.06618	6.4
264.83340	1.3
268.06161	15.9
269.06873	1.4
270.07721	100.0
271.08020	3.8
280.06177	3.6
286.07147	2.5
296.05688	12.4
308.09308	1.3
312.05109	1.6
312.08630	1.2
336.08679	3.4
351.09940	1.4
353.11435	17.3
364.08316	14.6
374.10275	2.7
381.21786	1.4
382.09457	2.5
382.46649	1.4
392.11133	1.5
418.09329	18.1
429.10452	2.2
447.11426	1.4
448.10321	2.4
473.09805	4.5
491.10938	17.5
492.10217	1.4
509.12100	37.5
671.19025	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	671.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58079	1.4
50.80371	1.2
52.89389	1.2
59.01386	8.2
65.00334	5.3
69.51356	5.6
71.01382	6.5
73.02935	2.2
81.03467	7.5
83.01379	2.5
85.02970	3.0
86.00111	1.6
87.00910	1.8
89.02484	1.3
91.01902	13.5
91.14736	1.2
93.53374	1.5
95.01398	2.3
101.02449	2.4
107.01405	9.1
108.02205	20.1
109.03001	7.6
111.00883	3.2
113.02486	1.8
121.02980	2.9
122.03770	2.5
123.00873	2.5
123.04542	47.3
124.01647	1.7
125.02465	3.6
151.00407	4.5
152.01163	16.5
153.01962	6.5
159.05588	1.5
164.98308	2.2
166.02786	2.0
167.03516	79.4
168.03909	1.7
175.42955	1.6
175.73827	1.4
181.05067	7.3
195.02960	2.7
223.06143	1.6
241.05235	1.7
249.37219	1.4
269.04541	8.1
269.08386	1.6
270.07648	1.8
281.08206	3.2
282.09052	2.7
314.11578	2.5
315.12140	2.4
326.11639	2.7
327.12402	3.8
329.13809	3.1
341.13852	3.0
380.40213	1.7
459.16562	5.9
471.16528	5.4
471.22583	1.7
473.18317	3.9
485.18118	3.1
491.18985	3.7
503.19327	4.8
535.17731	2.2
641.22406	100.0
642.22699	6.9
653.22461	65.8
654.22351	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	671.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42083	0.8
55.01886	1.4
57.03451	1.1
59.01379	7.7
67.01880	1.6
68.99828	1.5
69.11105	2.7
69.11523	3.8
71.01383	6.6
73.02932	2.5
74.76272	0.8
79.57939	0.9
81.03458	4.0
83.01389	1.2
85.02948	3.5
86.02453	1.1
87.00846	1.7
88.98827	1.7
89.02427	1.2
91.01898	2.6
95.01405	2.3
96.99315	1.2
98.22603	2.3
101.02446	4.9
107.01405	10.3
108.02177	14.1
109.02969	5.1
111.00864	1.3
113.02442	3.8
113.03184	1.0
121.02976	3.4
123.00896	2.4
123.04544	19.2
125.02489	5.2
128.03528	1.7
142.47754	1.0
147.04533	2.6
151.00386	10.4
151.04034	1.2
152.01173	17.9
153.01968	5.8
158.03639	1.1
159.04532	2.8
160.05351	6.6
161.06013	1.3
166.02782	1.6
167.03516	50.7
168.03908	1.2
171.07799	1.8
175.07671	5.1
175.93919	1.0
178.06325	2.4
188.80003	0.9
192.07896	1.2
193.05110	1.1
241.08566	1.0
255.10159	1.3
269.08194	10.9
281.08060	1.6
283.09708	4.7
296.05304	6.0
296.10507	1.4
297.06046	1.8
298.11966	1.8
299.09305	10.4
300.09793	1.6
311.07635	71.6
312.07751	1.7
313.10745	2.1
314.11633	20.7
315.12408	9.3
316.48175	1.0
326.11578	12.6
327.12268	3.8
329.13971	36.0
329.17902	1.8
330.14178	2.2
341.13974	10.7
365.76373	1.1
455.93253	1.1
542.26056	1.4
585.27124	1.3
641.22260	2.9
671.23431	100.0
672.23944	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	671.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24032	0.8
59.01382	4.4
61.41431	0.8
65.00294	0.9
69.55007	3.5
71.01393	7.2
73.02945	1.4
81.03450	2.1
83.01386	2.8
85.02966	2.8
90.30383	0.8
91.01895	2.0
91.23990	0.7
94.87890	0.9
95.01408	0.8
101.02428	4.7
105.63647	0.9
106.57062	0.8
107.01408	3.8
108.02174	7.9
109.02973	1.7
111.00879	1.2
113.02464	2.3
119.05006	1.2
119.53170	0.8
121.02977	2.1
122.03782	1.2
123.00908	1.5
123.04539	10.8
124.01595	1.5
125.02470	2.5
134.03738	0.9
136.05327	1.4
137.02446	1.0
137.64864	1.0
147.04538	1.6
149.02505	1.1
150.03242	2.0
151.00385	7.4
152.01155	9.7
153.01920	3.1
158.03770	2.1
159.04526	7.7
160.05309	22.0
161.06113	6.6
163.03978	1.6
164.04802	2.3
166.02742	1.9
167.03502	42.5
173.06078	2.5
174.06828	1.5
175.07666	15.5
177.05589	3.4
178.06384	10.7
181.04945	0.8
192.07918	3.3
285.03766	1.0
296.05515	5.9
311.07748	100.0
312.08054	3.6
315.12500	2.9
329.13950	24.3
330.14111	2.0
477.24298	1.0
509.57050	0.9
641.22394	22.7
642.22644	3.2
671.23499	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	671.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.2
59.01389	53.3
61.98827	13.4
71.01390	23.0
73.02930	8.8
85.02977	6.1
86.53536	4.2
88.98809	11.8
89.02438	12.3
91.55580	4.2
93.03493	6.6
94.06626	7.2
96.63203	3.5
96.95989	3.4
97.02952	8.4
99.00909	6.1
101.02441	19.6
107.03783	19.5
109.06557	5.2
113.02436	9.7
116.92823	7.0
117.03470	22.3
119.03522	7.1
119.05053	23.9
122.02494	41.5
122.06136	70.3
124.01602	4.0
125.09725	4.3
134.03636	4.5
134.06142	10.4
135.04521	17.3
145.03018	10.3
152.07178	100.0
153.02129	4.6
161.02448	7.5
161.04567	6.4
163.11284	5.5
171.10152	4.2
176.10890	5.3
179.05615	4.6
181.12320	7.5
181.81004	4.9
182.02103	5.1
207.10304	16.1
209.11836	32.4
211.13440	4.3
225.11494	20.3
227.03531	4.4
227.12877	5.1
235.08565	5.5
237.10304	6.3
243.12216	4.8
249.10361	5.5
250.07458	8.7
255.02972	8.2
263.07623	20.3
265.09799	21.5
277.09738	9.7
278.07028	12.6
283.02560	9.5
283.05893	3.8
284.03265	26.9
285.03903	5.9
293.09344	79.3
305.09125	21.6
307.08273	5.0
329.17535	9.3
331.19498	5.0
337.08420	5.8
344.99881	4.1
345.17197	6.4
357.15497	12.0
398.15137	10.3
405.17148	8.0
411.15610	5.1
417.16934	4.8
428.15768	5.7
430.17676	16.1
457.16217	3.9
458.17221	30.6
458.59219	4.4
461.20322	5.3
477.15643	4.5
484.14597	5.4
490.20120	9.9
502.16248	91.7
503.16422	5.8
517.18616	25.9
518.19275	5.0
534.19000	23.4
549.21252	7.6
563.23016	23.8
595.24939	8.7
607.22003	8.8
639.24805	80.4
640.24402	13.4
649.23456	8.5
653.32275	7.8
671.24329	5.5
671.33356	13.5
703.97064	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	671.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85161	1.8
55.01886	3.5
57.03439	2.5
59.01386	86.9
60.99315	5.7
69.03445	3.1
69.09923	8.0
69.10349	5.1
71.01389	61.4
72.99307	2.2
73.02958	23.5
81.03442	3.1
83.01389	9.9
85.02948	21.0
86.00159	1.9
87.00855	4.9
88.98814	40.6
89.02445	27.5
95.01397	2.6
97.02952	8.1
99.00888	7.2
101.02451	42.6
111.00916	2.9
111.40163	2.2
113.02457	23.5
119.03477	2.1
124.19985	1.8
125.02457	23.2
131.03488	12.0
143.03499	5.5
149.04567	6.9
159.03030	3.4
160.60478	1.9
161.04543	12.0
167.03459	2.4
175.03960	2.4
206.83112	1.8
252.78279	1.9
259.68958	1.8
291.18118	11.9
423.22406	41.0
424.22449	2.6
435.22427	7.3
465.23688	2.5
475.15381	2.5
477.24997	7.8
495.25116	2.4
537.27368	3.9
567.26599	44.5
568.27185	2.3
585.27649	100.0
586.27936	7.3
627.28589	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.1
65.00324	0.6
65.95784	0.4
71.01382	3.3
83.01383	0.6
85.02951	1.6
89.02436	1.6
89.07371	0.5
94.52941	0.5
96.95989	0.8
97.01484	0.6
101.02444	1.7
106.17548	0.5
111.82329	0.5
113.02457	0.8
119.03521	0.6
167.03519	0.6
200.08755	0.5
201.05542	0.7
202.06308	1.3
203.07083	0.6
211.07092	0.7
232.12141	0.6
233.08185	0.6
241.04961	0.7
246.08929	0.6
247.09744	0.6
269.11865	2.1
271.13315	1.4
285.14987	10.0
286.15604	0.8
297.11240	1.0
303.16202	2.8
303.18942	0.5
309.64673	0.6
311.16498	1.7
313.14508	4.5
315.16040	2.0
329.17584	8.6
345.17062	0.8
347.18610	2.1
389.19553	0.9
446.55124	0.5
465.21463	4.7
491.22983	1.8
493.20764	5.2
507.21933	0.6
508.23242	10.2
509.23944	72.6
510.24326	4.5
671.29279	100.0
672.29645	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	671.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05865	0.8
57.00153	0.8
59.01387	9.6
61.98833	2.3
63.01768	0.7
69.08339	5.4
71.01396	7.8
72.99293	1.1
73.02959	1.7
73.23669	0.9
75.00887	2.0
83.01410	1.5
85.02949	3.9
86.02457	1.4
87.00893	2.3
89.02453	2.5
90.22432	0.8
93.03446	1.9
96.96007	1.5
98.21867	1.6
101.02453	3.7
109.02995	1.1
111.00925	1.1
113.02455	3.6
115.81650	0.9
117.03489	2.3
119.05058	4.6
128.03555	6.7
133.02954	3.6
135.04544	2.7
137.02431	2.4
139.00377	0.9
145.02988	2.4
153.01944	1.2
164.98318	1.2
171.07758	3.6
189.09207	1.0
215.10797	2.1
227.03564	1.5
227.10864	0.8
229.12378	1.3
243.03046	0.9
255.02979	2.3
257.04532	1.7
259.13406	0.9
263.03375	1.8
269.04507	1.0
271.16943	1.8
273.18576	5.5
283.17139	0.9
285.04077	2.1
285.18597	3.3
287.16556	1.6
297.04016	1.6
299.02057	1.0
299.16565	2.6
301.03613	1.6
301.18100	2.9
303.19760	1.5
311.16479	1.0
313.11682	1.6
317.17700	6.7
318.17841	1.1
329.17484	7.2
347.18665	100.0
348.19098	5.5
361.20236	1.7
375.20413	2.2
389.19638	8.2
409.05484	1.2
417.06107	4.4
419.04022	4.6
433.05603	15.1
434.05875	2.2
435.07593	4.7
508.23157	1.0
509.23965	78.0
510.24551	5.4
533.79529	1.1
551.25305	1.0
671.14551	7.3
671.29254	83.6
672.29382	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	671.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75492	0.6
57.42342	0.7
59.01378	3.8
59.05113	0.6
69.60709	2.8
70.50904	0.7
71.01409	1.5
89.02460	1.9
98.21941	1.4
101.02472	1.4
113.02512	0.7
129.45236	0.7
134.11034	0.8
202.06415	0.8
215.10759	3.1
217.12511	1.2
227.10832	1.1
255.13908	1.2
268.14923	0.9
269.15454	3.8
270.16302	1.2
283.17017	5.5
284.17780	3.5
285.15091	6.5
285.18576	48.8
286.19025	1.9
301.18103	0.8
303.16092	1.9
311.16531	1.4
315.15955	1.4
329.17603	100.0
330.18069	4.7
347.18637	7.4
371.18573	9.4
465.21329	2.3
491.22952	17.1
492.23123	2.1
509.23938	99.1
510.24356	6.9
671.29285	80.9
671.41174	1.8
672.29517	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	671.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02300	0.5
59.01372	1.6
69.07851	3.3
71.01388	0.9
89.02416	0.6
101.02483	0.5
102.98635	1.2
113.02431	0.5
115.11694	0.5
131.22157	0.5
201.05571	0.7
228.64656	0.5
245.43680	0.5
270.12646	0.6
271.13461	6.3
283.04843	0.8
285.14993	2.3
297.14792	0.6
303.16013	3.2
311.16473	0.6
315.16025	3.5
329.17542	1.2
347.18652	1.1
374.73001	0.6
449.18469	0.5
465.21292	8.1
491.23047	1.5
493.20706	0.6
507.22467	0.7
508.23257	0.7
509.23938	100.0
510.24368	7.6
621.24725	0.5
671.29297	42.5
672.29614	4.1
702.21667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02300	0.5
59.01372	1.6
69.07851	3.3
71.01388	0.9
89.02416	0.6
101.02483	0.5
102.98635	1.2
113.02431	0.5
115.11694	0.5
131.22157	0.5
201.05571	0.7
228.64656	0.5
245.43680	0.5
270.12646	0.6
271.13461	6.3
283.04843	0.8
285.14993	2.3
297.14792	0.6
303.16013	3.2
311.16473	0.6
315.16025	3.5
329.17542	1.2
347.18652	1.1
374.73001	0.6
449.18469	0.5
465.21292	8.1
491.23047	1.5
493.20706	0.6
507.22467	0.7
508.23257	0.7
509.23938	100.0
510.24368	7.6
621.24725	0.5
671.29297	42.5
672.29614	4.1
702.21667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03461	1.1
59.01386	100.0
60.01718	1.0
61.98838	1.6
69.03463	1.3
69.37006	4.5
71.01389	17.3
72.99290	1.4
73.02952	47.7
83.01392	6.9
85.02979	5.4
89.02453	4.9
89.17254	0.9
93.03461	1.5
95.01449	1.2
96.21371	1.0
96.96000	1.7
99.00884	1.6
101.02458	35.4
103.96221	1.0
109.02956	1.4
111.63596	1.0
113.02462	14.0
117.03490	1.9
119.03523	3.8
119.05055	5.1
122.96870	1.1
125.02462	1.8
127.05134	1.0
128.03554	1.0
131.03535	3.4
133.02953	1.2
134.03751	1.6
134.36844	1.1
135.04521	4.6
141.01949	0.9
143.03532	4.5
149.04564	6.2
149.05804	0.9
155.03609	1.3
161.02458	3.5
161.04605	12.6
163.07703	2.2
164.98325	2.1
175.04054	1.4
184.73428	1.0
193.05078	2.2
203.05624	1.2
209.11914	1.8
221.06638	3.0
225.11319	1.4
227.06790	1.2
231.89871	1.0
255.03040	1.4
257.04462	1.6
257.82318	1.0
271.02316	1.1
273.14938	3.0
281.04636	1.0
285.04099	1.2
321.04486	1.6
322.05148	1.3
380.08917	1.4
389.19543	1.3
397.09180	1.1
398.10010	3.8
417.06226	2.3
435.07159	1.7
439.03864	1.9
495.16785	3.9
607.62170	1.1
653.12805	1.0
671.18396	1.7
671.36249	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	672.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
67.03928	0.6
69.93713	0.9
69.94044	1.3
76.97795	0.7
77.17354	0.7
78.03508	1.7
87.04595	0.7
98.21909	0.7
99.04570	0.7
108.54334	0.6
117.05598	5.6
122.02499	94.5
134.61432	0.6
136.04063	1.0
141.05598	6.5
150.05603	0.7
159.06660	1.5
177.88290	0.6
178.05113	1.0
201.38068	0.7
284.03293	2.2
355.19186	0.9
373.20169	2.7
483.25665	0.7
552.26038	7.4
608.42999	0.8
612.28302	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	672.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42078	1.0
66.43875	1.1
69.24289	2.4
69.24695	4.6
70.02969	4.0
70.62021	1.1
73.04070	7.5
92.86213	1.1
96.00908	3.4
99.02016	2.3
110.02457	1.4
113.07238	3.0
114.01949	3.1
124.04063	2.0
124.07745	1.4
125.07227	3.2
127.08768	2.7
129.10335	6.6
136.04076	2.2
138.05611	2.3
139.08781	1.1
140.80165	1.2
141.10301	2.1
145.09842	67.6
152.07152	1.4
153.06683	10.7
154.01485	1.3
154.05083	2.3
158.13005	15.7
163.08755	7.0
165.06737	2.6
166.08603	1.1
167.08261	1.6
169.09874	1.6
171.07748	3.4
181.09906	2.1
184.10912	8.9
186.12492	45.2
187.12862	1.4
202.11945	1.4
207.07794	7.6
211.07266	1.5
228.09851	2.4
230.15099	11.3
239.15199	1.1
246.96941	2.9
251.06584	1.5
255.18250	14.0
256.18625	1.1
268.09384	2.7
269.07028	1.1
282.11331	1.3
299.17267	47.7
309.19370	1.4
325.19086	1.5
328.15030	4.4
343.19907	11.9
353.18411	7.2
397.16840	5.4
441.19907	4.2
458.22156	1.2
482.22192	1.7
628.33167	23.7
629.33258	2.0
672.35785	100.0
673.36060	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	673.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88857	21.8
61.51562	20.6
61.98839	60.2
69.25753	100.0
70.47087	20.6
77.13816	20.6
98.88977	20.5
104.63052	23.2
107.81149	20.3
119.05050	47.5
121.02972	49.5
122.02503	31.7
171.10258	23.9
173.50439	23.6
246.10577	22.9
252.49362	21.8
319.94275	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46585	0.6
52.06677	0.7
59.01384	6.0
61.34040	0.6
61.98817	1.3
62.20684	0.7
65.00320	0.8
65.78382	0.6
69.03439	1.3
71.01383	2.8
73.02969	1.0
78.95922	1.2
79.78445	0.7
80.02660	1.1
81.03467	2.1
83.01408	2.4
83.05034	4.3
83.97935	0.8
85.03002	1.0
89.02448	1.9
93.03468	1.9
95.01389	0.9
95.05035	0.8
96.96030	4.7
97.06604	1.0
98.21790	1.4
99.04560	1.6
101.02443	1.7
109.02954	0.9
113.02459	1.8
113.06100	2.5
115.04024	2.0
117.03455	3.9
119.05031	2.7
123.04544	3.2
125.09756	0.9
127.07571	0.8
131.84549	0.7
133.02986	2.0
135.04579	4.6
135.73047	0.8
137.02510	0.8
139.04050	1.3
139.89105	1.0
149.06122	1.0
151.04027	10.1
153.01947	2.8
155.07158	1.3
161.02461	1.2
161.04578	0.9
163.11313	4.6
163.72545	0.9
165.05585	0.9
165.12854	2.3
171.10306	1.9
175.04057	1.1
177.01784	0.7
185.06078	0.8
187.04002	1.3
191.10693	1.6
199.04210	0.8
201.05571	1.3
207.06657	1.6
207.10455	0.8
209.11858	100.0
210.12114	1.0
214.02728	1.1
215.26691	0.7
227.03413	1.2
227.12921	15.2
229.05109	1.1
233.08186	1.4
235.08218	1.6
242.02257	2.9
247.13419	1.4
251.09294	20.5
253.05110	1.0
253.09337	6.8
255.03105	1.6
256.03851	0.8
257.04596	24.8
269.10339	1.0
281.04727	1.2
284.03174	0.8
285.03958	1.0
339.08319	0.7
382.10501	1.5
392.37906	0.7
393.06116	1.1
401.06735	10.7
403.04675	10.9
404.75851	0.7
419.02710	1.1
419.07877	16.9
435.07291	6.3
445.05429	5.7
445.20245	0.8
465.21420	1.0
497.18311	1.3
512.48151	0.8
514.16772	0.8
519.52667	1.1
637.32452	0.9
655.15027	1.3
673.25220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21030	1.0
59.01379	6.7
60.99006	1.2
60.99302	3.3
71.01382	7.8
73.02959	1.3
73.76994	1.2
85.02480	1.4
85.02946	7.2
88.98809	12.6
89.02441	1.7
93.03448	2.3
95.01391	3.0
96.20269	1.2
99.00896	1.2
101.02451	3.7
110.27970	1.0
113.02438	9.6
114.04483	1.0
117.03493	1.3
117.39671	1.1
117.40676	1.0
121.02970	4.6
122.03750	4.9
123.00884	11.9
123.04542	2.3
124.01675	16.7
132.02184	19.1
133.02945	4.4
134.03741	18.6
135.04567	13.3
138.03242	3.0
139.00436	1.4
139.04031	7.9
149.02394	6.2
149.06081	4.3
150.03242	25.3
153.05574	2.7
157.62401	1.1
160.01675	75.2
161.02444	12.6
164.04749	1.6
165.05583	21.7
166.99846	2.8
175.04013	95.2
176.04388	2.8
178.02762	2.2
179.03479	2.2
180.04388	1.4
193.05061	18.4
195.06583	6.0
235.06097	2.0
258.47342	1.4
265.25391	1.2
282.09024	2.0
303.05148	7.4
323.07486	1.5
337.09305	11.6
341.10291	9.2
461.16675	8.4
477.14044	100.0
478.14227	6.4
485.14026	1.7
625.19550	2.0
637.21466	38.0
638.21808	4.3
673.29858	3.7
673.93414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72793	0.6
59.01387	7.1
69.03467	0.6
71.01392	6.8
73.02972	2.2
81.03484	1.8
83.01397	1.7
85.02975	2.0
88.98803	1.4
91.01917	1.5
92.92303	0.6
93.03497	1.2
95.01421	1.4
101.02441	6.0
107.01420	2.4
108.02205	6.3
109.02975	5.2
113.02481	2.5
119.05006	0.7
121.02970	9.7
122.03758	13.3
123.00949	1.0
123.04536	11.8
123.62423	0.6
125.02477	1.1
135.04558	2.3
136.01671	1.0
136.05312	1.3
137.02470	1.1
147.04541	5.1
149.06104	0.7
151.00439	3.8
152.01175	8.6
153.01955	2.1
161.02490	1.2
161.04649	0.8
161.06044	1.1
162.03268	0.6
162.06865	0.8
163.04089	0.8
165.05594	17.9
166.02737	1.5
167.03513	34.2
168.03983	1.1
178.06348	0.7
179.03505	1.0
179.07155	6.0
181.05107	1.0
191.07108	0.7
195.95454	0.6
251.05499	0.7
296.05408	4.9
298.12100	0.7
311.07748	100.0
312.08142	3.6
313.14639	0.8
315.12433	1.9
346.14288	6.4
347.14957	3.4
361.16605	35.2
362.16956	2.4
374.46960	0.7
482.51218	0.7
596.51581	0.7
673.25159	24.5
674.25177	2.8
684.27106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17151	1.3
58.02980	1.4
59.01381	7.7
68.58688	1.1
71.41617	1.5
72.14841	1.2
73.98310	8.1
74.02461	3.0
78.21771	1.3
81.03472	2.4
82.02980	3.7
83.01361	2.2
84.04539	2.1
86.02483	22.9
87.02787	1.2
88.04059	1.7
89.00678	48.6
96.96030	2.3
97.80487	1.3
98.02498	1.7
99.04547	2.4
109.07664	2.0
115.02243	16.6
119.05058	7.1
120.01292	1.5
123.04556	1.7
127.04042	5.3
127.05012	5.9
127.08791	15.1
128.03552	100.0
135.08173	21.7
149.09717	3.7
152.03513	1.6
153.06712	6.2
156.97493	1.1
165.88835	1.2
171.07768	72.8
176.03871	5.9
179.04680	2.5
179.10774	2.8
196.02539	2.6
197.05687	1.6
199.11317	8.0
210.86823	1.5
215.06729	20.2
231.08507	2.0
233.10022	11.0
233.11942	1.3
251.11237	1.3
285.04205	2.1
305.08096	11.0
307.15521	4.0
317.62292	1.2
320.13818	1.3
325.89694	1.1
343.40033	1.6
361.14642	2.3
379.16022	2.6
397.16873	6.0
466.19263	7.9
466.24634	1.5
484.20090	13.0
544.22314	4.7
551.24066	2.8
577.21997	3.1
595.23413	17.6
596.23273	1.7
613.24414	48.0
614.24261	4.3
673.26532	22.5
673.36621	2.2
674.27100	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	673.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95547	1.1
58.03007	1.0
59.01381	6.1
69.30352	4.5
70.69682	0.9
71.01389	1.1
80.05066	8.0
94.06636	3.6
99.05667	2.1
104.05061	2.8
106.06649	5.0
107.03807	7.8
117.03513	1.2
119.05016	1.6
120.04576	2.6
120.08208	1.3
121.05379	1.8
122.02489	7.9
122.06135	54.6
123.06492	1.9
130.06584	1.0
132.04539	2.2
134.06133	14.5
135.04549	1.5
136.07671	3.2
143.04634	12.1
146.06143	1.8
148.04054	2.5
150.05635	2.7
152.07185	67.6
158.06053	1.0
160.04106	2.4
160.06418	2.9
161.04871	2.1
173.02635	1.1
174.05641	4.0
180.06682	2.5
186.05675	1.4
188.07158	6.9
190.05128	2.5
209.11795	1.8
211.08752	3.2
213.10358	12.4
224.09720	1.2
225.10440	5.0
226.11151	2.6
227.11842	1.8
235.08620	1.4
236.09505	1.3
237.10370	2.9
238.07404	1.3
239.11885	14.3
241.13527	9.2
245.12959	10.2
249.10385	1.8
250.07518	4.0
251.08270	3.4
251.11966	3.3
252.09064	2.1
253.09883	6.4
263.08255	2.4
264.09097	2.5
265.09903	8.5
266.10510	2.4
267.11404	6.1
277.09909	4.3
278.06912	4.7
278.10513	3.6
279.07794	6.0
279.10986	2.0
280.12457	1.1
281.09225	1.1
285.12445	30.0
286.12766	1.6
291.07776	1.9
291.11090	1.4
292.08466	2.4
293.09314	17.8
293.12958	8.2
294.10138	5.4
295.10919	19.2
296.11209	1.5
306.10004	2.3
307.10910	6.8
309.12476	2.4
313.11887	3.3
323.10434	7.6
325.11832	2.5
328.11063	1.4
337.08362	10.5
338.09189	1.7
339.09921	2.0
340.14575	1.2
342.12543	2.1
351.09909	1.6
355.13016	3.4
356.13727	1.2
356.17828	2.6
358.15598	7.5
370.11844	1.8
384.13211	3.3
385.14084	1.8
400.16757	12.2
401.17352	1.4
412.16592	4.1
417.17001	1.8
430.13715	1.9
431.18439	1.4
432.19574	5.2
442.17868	1.5
444.15671	1.6
458.17395	2.6
459.17953	5.9
460.18857	12.2
474.20499	6.9
476.18530	4.2
478.19910	1.5
486.16882	2.9
503.16931	3.2
504.17740	21.7
518.12067	1.8
518.19354	22.6
521.26013	1.5
523.23657	4.1
536.20544	5.3
550.22046	16.2
551.23633	5.4
565.24585	66.2
566.25049	5.1
568.23376	1.2
581.24133	2.3
597.27386	7.1
609.23547	35.6
610.23596	4.3
641.26227	100.0
642.26727	8.2
673.28882	18.5
674.28375	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	673.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65093	1.6
58.97798	1.9
59.01387	12.7
61.98830	2.4
62.42184	1.8
65.00316	2.7
69.14935	11.3
71.01389	3.8
73.02950	2.7
80.05083	7.3
81.03479	2.5
83.01398	2.0
83.05023	2.7
85.02979	1.6
89.02448	3.4
94.06644	4.2
96.96032	5.9
101.02463	2.8
104.05114	2.7
106.06631	4.1
107.03802	7.6
109.02990	2.3
117.03484	7.2
119.04304	3.0
119.05025	13.5
121.02992	2.0
122.05326	3.4
122.06137	43.3
132.04559	2.6
133.02956	4.1
134.06126	13.3
135.04524	10.8
136.07733	2.7
137.02460	1.9
145.02951	2.2
147.04492	2.4
149.02475	7.8
151.04018	4.9
151.35095	1.7
152.07193	64.3
157.50269	1.8
161.02449	2.4
161.04788	2.4
163.11380	2.5
164.04832	8.2
165.12868	2.5
171.10384	3.3
180.06677	3.2
188.07217	6.3
205.05170	2.8
209.11855	100.0
210.12263	1.9
211.08839	2.5
213.10359	7.6
223.06146	15.0
225.10419	6.4
226.11131	3.1
227.12984	17.0
235.08232	2.5
237.10399	2.2
239.11891	11.6
241.13495	7.5
245.13028	5.9
250.07556	3.7
251.09109	6.5
251.11771	3.0
252.09036	2.6
253.09636	12.6
255.03038	1.9
257.04596	12.4
263.08243	3.0
265.09790	4.8
267.11444	3.0
277.09952	3.1
278.10599	2.1
279.07803	6.7
279.11188	3.9
285.12454	22.1
286.12729	2.4
293.09351	15.7
293.13010	6.2
294.10010	5.7
295.10910	17.2
307.10825	5.4
313.11942	3.5
323.10388	7.0
325.11908	3.6
337.08475	9.2
338.09186	2.0
344.14136	2.7
351.09866	2.5
355.13138	2.1
356.17700	3.3
358.15573	10.4
384.13345	2.9
385.14063	2.5
390.51331	1.8
400.16769	12.3
403.04575	4.3
419.07846	5.1
419.18835	2.8
432.19351	7.0
435.07080	9.1
445.05710	2.6
458.17545	1.9
459.17728	5.2
460.18887	8.5
463.17322	6.0
474.20309	5.3
476.18262	2.0
478.20050	4.8
497.18472	4.1
504.17645	14.9
505.18051	2.5
518.19220	19.6
521.25800	2.6
523.23621	7.2
536.20496	11.3
550.22046	25.8
565.24603	43.3
566.24878	3.2
597.26782	5.7
609.23590	41.8
610.24036	3.6
641.26276	49.0
642.26550	4.4
673.17505	3.0
673.29083	58.9
674.28851	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03442	3.6
59.01383	15.9
68.99814	0.8
69.52773	3.5
71.01384	23.3
72.99315	3.8
73.02932	4.8
75.00877	13.0
83.01390	2.2
85.02961	25.3
87.00883	6.2
89.02456	4.6
95.01368	3.7
99.00889	7.0
101.02449	7.2
103.00365	1.0
113.02458	24.3
113.03252	1.3
115.00376	2.6
117.03503	1.0
119.05019	0.9
122.09917	0.8
135.69812	0.8
145.02924	1.1
175.02458	1.2
193.03523	2.8
209.11740	1.0
225.69156	0.8
242.67509	0.9
285.03998	10.2
286.04462	1.2
291.23334	2.1
335.22192	1.3
337.07816	1.6
353.06870	0.8
405.91971	0.9
466.02768	0.8
535.82611	0.8
593.13171	3.3
673.08093	2.9
673.30792	100.0
674.31030	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	673.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.4
57.03450	5.3
59.01386	56.4
60.99313	1.9
70.22579	2.9
71.01389	51.7
73.02953	13.1
75.00906	1.3
83.01391	7.5
85.02959	26.7
87.00895	2.2
88.98824	9.6
89.02452	15.3
91.09709	1.2
95.01401	5.2
97.08868	1.3
98.21902	1.7
99.00896	5.9
101.02452	29.4
113.02464	21.1
113.43966	1.4
119.03540	4.2
119.05001	1.4
123.04540	2.4
125.02405	1.8
135.04521	2.0
140.87784	1.5
143.03508	2.0
159.03053	2.2
160.05380	1.5
161.04556	5.1
167.03493	8.1
168.03906	1.7
176.07767	1.4
259.20721	3.1
261.22296	17.5
285.04016	3.0
285.22290	2.4
305.21246	11.3
311.07755	7.6
312.08176	7.0
313.08353	4.9
329.13858	1.8
330.14105	1.9
331.19116	6.1
349.19992	11.9
373.20230	2.1
449.25455	11.8
467.26550	18.4
493.24475	66.1
494.25562	2.2
497.18015	2.0
511.25519	100.0
512.25732	5.9
535.25610	1.7
553.26520	2.7
643.22833	3.9
658.28729	1.6
673.31622	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.3
61.98824	1.4
71.01393	2.0
71.54829	0.5
73.02927	0.8
77.30865	0.5
80.02674	1.2
80.44532	0.4
81.03465	1.5
83.01397	0.6
83.05047	5.1
84.02165	0.7
84.95146	0.5
85.02948	0.8
87.00849	0.6
89.02450	1.7
93.03481	0.7
94.06605	0.4
101.02453	1.8
106.65246	0.4
113.02488	1.3
117.03470	0.5
119.05009	2.6
122.06125	1.6
135.04544	0.5
135.08153	0.5
145.03032	0.5
152.07236	2.1
161.04501	0.9
163.11325	4.1
165.12872	2.2
171.10313	2.2
175.03931	0.4
181.12378	0.7
191.10779	0.9
209.11861	100.0
210.12154	2.8
221.11937	0.4
227.12927	14.0
228.13310	1.0
235.08292	2.0
239.12184	0.5
241.13655	0.5
247.13437	1.2
253.09300	5.5
285.03860	0.7
285.12418	0.9
293.09299	0.8
293.12863	0.4
319.46481	0.4
337.08612	0.5
400.16501	0.5
445.20621	0.8
503.16721	0.5
504.18024	0.7
518.19287	1.5
538.80731	0.4
549.94543	0.4
550.22101	1.0
565.24615	1.5
641.26062	2.3
642.26617	0.5
655.33618	0.5
673.28632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89340	2.6
61.98849	5.9
68.99815	3.4
70.24263	6.3
76.47482	2.5
94.00653	4.3
101.04012	2.7
120.00932	4.1
136.00421	11.0
145.06593	5.4
146.02374	3.0
147.04596	3.8
149.99612	6.0
151.04335	3.3
158.83351	2.8
163.99942	7.3
171.04535	14.3
173.06137	6.1
174.01961	3.6
191.99409	7.8
193.95129	2.8
197.06009	3.7
218.00922	8.9
225.05705	4.5
226.05035	3.8
240.06694	27.6
242.08263	30.0
253.05154	4.7
254.05965	29.7
268.06171	14.0
270.05042	5.7
270.07764	71.7
271.08264	3.6
278.08307	8.0
289.12363	4.0
296.05679	100.0
297.06146	4.3
345.11313	40.6
371.09506	5.3
390.06210	40.9
467.53418	3.3
494.12436	58.8
624.16797	32.9
625.16779	4.0
642.17877	3.8
674.19952	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98834	100.0
69.12772	0.9
71.01358	0.1
78.59350	0.1
96.96112	0.1
102.52045	0.1
119.03468	0.1
119.05070	0.5
122.02490	1.0
134.03763	0.3
135.04478	0.1
175.04065	0.2
193.05180	0.4
209.11931	0.3
228.87277	0.1
283.02719	0.2
413.25241	0.1
457.31015	0.1
674.33246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.8
65.00338	1.9
71.01350	1.1
81.19623	1.0
96.96013	1.3
97.02945	1.3
97.16575	0.9
108.02169	1.6
109.02979	4.3
116.92839	1.2
119.05090	1.4
121.03044	0.9
123.00865	1.2
123.04543	2.8
151.00395	1.0
151.03920	1.0
152.01132	1.9
153.01994	4.9
154.99919	9.7
164.98320	1.1
167.03491	3.2
194.04530	1.3
195.02969	4.9
196.16150	1.1
205.04846	1.0
209.04567	1.2
217.05122	1.6
218.05832	2.4
240.98247	0.9
242.08292	3.2
245.08292	1.4
255.05035	5.3
261.07681	4.0
262.08423	1.6
263.09088	1.0
269.04575	2.3
270.05164	1.4
270.07776	5.2
276.80984	0.9
285.11407	1.6
286.12250	1.1
296.10757	0.9
301.14487	5.3
317.13791	1.5
319.15598	1.3
327.16064	2.6
329.13928	1.6
331.15549	4.1
345.17102	10.7
353.11368	2.0
361.16595	2.0
363.17990	1.4
405.18997	1.7
465.13303	1.1
631.26605	1.8
675.26630	100.0
676.26910	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	675.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.5
59.01392	7.8
61.98813	1.3
71.01393	5.8
72.64708	1.2
77.50952	1.3
78.95890	1.4
83.01374	3.0
85.02972	3.0
88.61142	1.2
89.00371	1.6
89.02451	2.6
95.01373	1.6
96.96013	1.7
98.21913	4.0
101.02464	3.8
106.00603	2.2
109.02941	1.6
113.02451	2.9
117.03457	1.7
119.05043	4.0
121.02967	28.5
122.06141	3.6
123.00896	5.8
124.01736	1.4
127.00398	2.2
127.01505	1.2
135.04529	5.6
136.07661	2.1
136.98845	1.7
137.02440	5.6
138.03239	5.8
139.00398	3.5
139.04031	2.9
153.05600	28.9
161.02480	2.1
166.99828	3.4
167.01765	4.6
181.01465	4.2
182.02213	7.5
183.02985	6.3
196.03799	1.4
197.04568	59.3
198.04926	2.7
209.11900	2.9
214.12401	3.2
225.04045	3.9
227.08047	1.4
227.12830	2.1
229.14604	2.0
239.05627	5.9
241.09958	1.9
242.10612	3.9
257.12958	23.6
258.13300	1.8
301.11969	25.1
302.12170	2.7
333.20773	1.8
403.08832	1.6
426.33530	1.5
438.88474	1.3
535.21906	3.5
549.22742	1.6
599.25177	1.9
643.24493	2.6
675.30304	100.0
676.30646	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	675.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10651	1.1
59.01386	18.2
67.01884	1.5
70.59815	2.6
71.01381	2.9
71.02499	3.8
73.02962	3.3
73.03402	1.7
73.04106	6.4
74.02501	4.4
82.02979	4.6
83.01389	1.4
86.02523	1.8
88.04079	1.2
89.00668	2.0
96.00919	9.4
96.96027	4.8
98.02492	3.6
99.01991	1.9
99.04554	2.8
101.02481	1.4
103.05135	9.2
110.01228	1.5
110.02533	1.2
110.83455	1.2
112.04049	1.6
112.53101	1.4
113.02441	1.5
115.08823	1.5
119.05038	1.7
121.03005	1.2
124.07715	1.5
125.07256	2.2
127.08797	1.7
128.03557	100.0
129.03955	1.8
129.10400	1.2
130.08783	2.2
135.04604	1.5
139.08739	2.3
141.06731	2.5
143.04715	1.7
148.02817	1.7
151.08781	7.7
152.03600	1.6
152.07175	6.8
153.06715	3.0
155.08270	10.5
163.07661	1.2
165.00191	1.6
165.10379	2.2
166.08752	1.2
167.01775	3.8
167.08282	2.3
169.09842	9.1
171.07817	3.4
177.06755	1.4
177.30635	1.3
179.48457	1.2
180.10306	2.9
186.12579	3.0
191.08272	5.1
195.07751	9.8
195.11415	1.4
196.06218	1.8
197.12923	1.5
198.08820	1.6
206.14496	1.2
208.10893	1.2
209.13756	1.1
212.10492	1.6
213.08853	1.7
223.11015	1.8
225.13562	1.9
233.12909	1.3
237.00197	1.1
241.11964	1.7
252.75114	1.2
253.08354	2.4
270.04062	4.6
272.08853	2.4
280.13040	2.5
284.23724	1.2
311.17160	6.1
330.16864	1.9
365.18344	3.8
366.19055	3.7
389.21985	2.4
403.08649	3.4
413.51599	1.3
433.20917	4.5
454.51215	1.2
465.23795	1.9
473.26221	1.7
491.21722	1.6
509.22571	25.3
510.22995	2.0
553.25281	29.7
554.25409	2.1
571.26270	2.4
613.28436	18.3
615.25177	4.5
631.29590	5.8
657.20117	2.4
657.31122	46.1
658.31299	3.9
675.32202	53.5
676.33136	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	675.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33921	0.2
53.85149	0.2
54.00883	0.2
55.01885	1.4
55.69989	0.2
56.99812	0.2
57.03451	1.4
58.00605	0.8
59.01384	60.6
59.51184	0.2
60.01714	0.4
61.98833	0.4
62.84622	0.2
67.56480	0.2
68.99818	0.6
69.03462	2.9
71.01387	43.0
72.01708	0.3
72.99319	1.1
73.02950	7.7
75.00884	0.7
77.68012	0.2
79.95776	0.2
81.03468	2.1
83.01391	5.0
83.05042	0.5
85.02955	8.5
85.83612	0.2
86.00102	0.3
87.00883	9.7
87.04531	0.3
89.02451	36.1
91.04014	0.8
93.03456	0.6
95.01395	3.3
97.02959	7.0
97.03590	0.4
98.22688	0.5
99.00888	2.5
99.04549	0.7
101.02451	35.4
102.02801	0.5
103.00377	0.3
103.04012	0.4
109.02983	0.8
111.00892	0.7
111.04527	1.4
112.01745	0.3
113.02460	16.9
115.04024	0.8
119.03513	11.9
121.02973	0.7
123.00932	0.3
123.04533	0.5
124.01696	0.7
125.02457	14.3
127.04017	0.5
127.07697	0.4
131.03520	2.0
133.05110	1.1
137.02451	0.2
139.04021	1.0
141.01956	0.8
141.05554	0.2
141.93202	0.2
143.03516	6.6
149.04564	1.3
157.05072	0.5
161.02509	0.3
161.04572	8.8
167.03520	0.9
169.05093	0.3
171.03020	0.5
179.03407	0.3
179.05624	7.4
181.05109	0.3
185.04562	0.9
199.06154	0.8
203.05659	0.6
217.07187	1.6
219.05043	0.4
221.06683	2.6
233.22801	0.4
235.08235	15.4
236.08572	0.2
245.06659	1.0
253.09277	4.2
259.08350	0.3
259.20773	0.5
263.07745	1.5
275.20145	0.5
277.09677	0.9
277.21741	100.0
278.22067	3.8
287.07788	3.5
291.23343	0.3
293.36188	0.2
305.08759	3.6
319.22943	0.3
323.09753	2.0
361.11459	0.5
379.12659	1.1
397.13528	83.2
398.13849	2.2
415.14584	34.8
416.14737	0.9
526.42065	0.2
675.36615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03452	1.5
58.00605	0.6
59.01385	58.0
61.05669	0.3
67.75221	0.4
68.99830	0.8
69.03468	2.2
71.01387	35.7
72.99330	0.9
73.02953	6.5
73.03322	0.6
75.00886	0.7
81.03478	1.6
83.01395	5.5
83.88136	0.4
85.02962	7.7
86.00134	0.6
87.00887	9.4
87.04539	0.9
89.02451	35.8
91.04054	0.5
92.03863	0.4
94.97217	0.6
94.98112	0.9
95.01399	2.9
96.75360	0.4
97.02956	6.4
99.00899	2.2
99.04543	0.7
101.02451	32.6
102.02804	0.6
109.02959	0.9
111.00907	0.7
111.04555	1.2
113.02461	16.5
115.04037	0.7
118.72012	0.3
119.02664	0.6
119.03511	12.1
119.91141	0.4
121.02988	0.6
125.02460	13.8
126.14214	0.4
127.04034	0.6
131.03522	2.2
133.05107	1.2
137.02463	0.4
139.04042	1.7
141.01935	0.5
143.03513	6.7
149.04576	1.4
158.27954	0.4
158.57222	0.4
161.04567	8.4
167.03514	1.1
177.13643	0.3
179.05624	8.4
184.41348	0.4
185.04552	0.8
199.06207	0.8
203.05640	0.5
217.07138	0.9
219.05147	0.7
221.06664	2.3
223.34744	0.4
227.05566	0.5
233.22876	0.6
235.08250	14.9
245.06647	1.0
253.09283	5.1
263.07620	2.2
277.09430	1.2
277.21741	100.0
278.22095	3.9
287.07761	3.5
305.08807	4.3
323.09912	1.8
361.11426	0.7
379.12469	1.3
397.13519	87.6
398.13821	2.4
415.14578	38.0
416.14835	1.1
495.12643	0.4
514.13495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17629	2.4
52.25983	2.6
58.45043	2.6
59.01366	7.4
61.98820	3.6
71.01379	4.2
95.01427	3.1
96.96018	4.5
98.21896	7.0
107.15613	2.5
111.00887	8.4
111.96831	2.7
113.02444	5.6
118.95765	2.5
119.05084	2.8
127.63249	2.9
133.02954	4.0
135.04504	7.4
139.00385	12.3
161.02458	13.5
162.02800	3.9
166.99841	3.5
167.03433	3.2
175.04005	4.1
223.06136	4.2
256.91034	2.5
285.03949	9.1
301.03549	100.0
302.03683	2.5
572.60986	2.9
613.11981	22.1
637.21082	3.6
638.21692	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	676.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15925	0.8
59.01385	31.3
65.00346	1.0
70.72000	0.9
71.01387	15.6
85.02954	2.5
89.02454	15.0
94.02993	3.3
95.01395	3.0
96.96029	1.2
97.02966	1.4
101.02449	10.9
108.02210	3.0
111.00914	0.9
113.02444	4.4
118.04255	0.7
119.03500	7.3
123.00900	8.2
124.01678	25.8
134.03668	0.9
143.03535	1.9
143.05042	1.3
146.03735	1.2
148.41066	0.8
149.02446	1.0
154.99860	3.6
159.04472	3.2
161.04541	0.8
171.04507	4.6
172.05318	16.4
173.02448	1.7
179.05598	1.1
187.04047	9.7
188.04828	4.5
199.04024	2.0
205.85260	1.0
215.03590	4.8
216.04283	48.3
217.04797	1.5
242.08134	1.2
257.08231	5.7
268.74146	1.0
269.04379	1.2
270.07684	2.5
351.11191	2.1
352.11926	100.0
353.12170	5.2
394.12796	1.3
446.80255	0.9
496.16647	1.2
514.17224	7.6
635.16132	1.0
638.28638	1.3
676.22510	51.3
677.23248	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	676.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62999	0.7
59.01369	2.0
60.99312	17.1
61.98826	1.6
69.41563	3.5
71.01368	1.2
76.88868	0.7
87.00882	3.2
88.00426	1.1
88.98817	100.0
89.02454	22.3
116.92850	1.7
119.05048	1.4
128.38901	0.7
135.04561	1.7
135.41727	0.8
146.10721	0.7
197.04549	1.0
198.09175	0.7
209.10004	0.8
209.11845	3.1
210.12184	2.2
211.12329	1.2
263.07474	1.7
276.99777	0.7
285.03815	0.8
633.32983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04836	0.6
59.01384	100.0
60.01698	1.0
61.98827	1.0
69.83344	1.6
75.00892	2.6
84.90598	0.7
98.22603	1.1
103.00420	2.2
103.01504	68.8
105.71378	0.8
119.05054	1.0
121.81430	0.7
135.04556	0.8
233.71524	0.7
249.32701	0.7
519.21820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.5
61.08415	0.3
65.00335	1.1
66.06869	0.3
75.49699	0.4
78.48923	0.3
79.95746	0.8
93.03492	0.7
95.01407	1.2
96.96029	0.9
97.02975	0.4
99.00930	0.5
107.01397	0.6
110.00070	0.5
111.00888	10.5
117.03492	1.0
119.05037	4.8
120.22366	0.4
123.00899	1.5
125.02454	1.4
133.02988	0.5
136.98866	1.8
137.02460	1.3
139.00386	12.6
141.02028	0.4
142.10197	0.4
143.05052	1.2
151.00388	4.3
161.02443	0.9
164.98351	2.0
165.01959	1.1
165.99051	0.6
166.99913	3.7
167.03563	0.4
167.04947	0.6
169.06606	0.6
171.04543	1.1
173.06026	0.8
178.99905	1.0
185.02530	0.4
185.06076	1.1
190.99883	0.4
192.00713	1.0
195.04543	1.1
197.06108	0.7
199.04013	0.9
211.04079	0.5
213.05565	0.9
215.03334	0.4
217.04993	0.7
223.04037	2.9
225.02017	0.9
239.03535	1.2
241.05037	0.7
242.02248	0.7
243.02985	0.6
247.66969	0.4
267.03003	1.0
283.02414	1.1
284.03339	1.1
285.04068	100.0
286.04410	3.7
299.05551	0.5
364.99652	1.4
391.03394	0.6
400.87802	0.5
597.12439	8.0
677.08209	27.7
678.08270	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36053	0.6
56.93715	0.6
65.00327	1.3
70.06250	1.4
83.33709	0.5
95.01400	2.0
96.96027	1.8
98.21996	0.8
98.74257	0.5
107.01422	1.2
110.00107	4.8
111.00908	9.2
117.03452	1.2
119.05042	5.1
119.49075	0.5
123.00884	1.8
123.04551	1.1
125.02444	2.1
132.77968	0.6
136.98827	1.2
137.02457	0.9
137.99615	1.3
139.00398	14.0
143.05023	0.7
145.06525	0.6
145.26376	0.5
151.00412	5.4
161.02438	2.0
163.00371	0.6
164.98308	1.3
165.01944	1.4
165.99103	2.9
166.99875	4.5
167.03571	0.9
167.05025	1.2
169.06570	0.8
171.04533	1.3
173.06143	1.0
178.99915	0.6
183.04584	0.6
185.06088	0.9
192.00552	1.0
195.04533	1.1
197.06061	0.7
199.03943	0.8
211.04309	0.5
213.05524	1.2
217.05119	0.7
218.84662	0.6
223.02147	0.5
223.03960	3.5
225.01936	1.4
239.03583	1.7
241.05107	1.1
242.02248	1.3
248.51120	0.6
267.03082	1.0
283.02496	1.2
284.03308	7.5
285.04086	100.0
286.04465	4.7
364.99698	0.7
429.08344	0.8
447.09741	0.6
597.12604	36.3
598.12982	2.3
677.08240	15.8
678.08704	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
59.16233	0.4
62.74095	0.4
65.00320	1.2
72.17223	0.4
76.08273	0.5
81.03441	0.7
83.05047	1.5
90.75339	0.4
91.18806	0.5
93.03509	0.6
95.01385	1.7
96.96005	1.1
103.15281	0.5
107.01388	0.6
108.02157	0.6
110.00122	3.0
111.00896	9.3
117.03490	1.1
119.05048	4.4
123.00906	1.8
123.04543	1.0
125.02471	1.3
133.03012	2.5
135.04514	0.5
136.98816	1.8
137.02496	1.1
137.99600	1.2
139.00395	11.3
141.02049	0.5
141.32140	0.5
143.05107	0.9
151.00410	4.2
153.01891	0.6
161.02449	6.5
162.02768	2.8
164.98320	1.7
165.01970	1.2
165.99120	2.4
166.99858	3.6
167.03513	1.8
167.04929	0.8
169.06627	1.0
171.04533	1.1
173.05974	0.6
178.99913	1.1
185.06041	1.2
190.99950	0.5
192.00647	1.6
195.04541	0.6
199.04044	0.7
207.15068	0.5
213.05626	1.5
215.43723	0.4
217.05066	0.5
223.04044	2.5
225.01981	0.9
225.16090	1.0
239.03516	1.7
241.05101	0.8
242.02197	1.1
260.78708	0.5
267.02872	1.2
283.02460	1.4
284.03293	7.3
285.04068	100.0
286.04388	3.2
362.82846	0.5
364.99905	0.7
373.94998	0.6
384.40189	0.5
597.12518	36.3
598.12787	2.1
638.21582	2.1
639.22571	2.3
677.08203	16.9
677.49677	11.5
678.08679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60513	1.3
52.50021	1.3
59.01371	3.4
65.00330	3.0
69.05045	5.0
69.05454	4.9
71.01382	2.7
79.95721	2.4
89.02481	1.7
91.01920	2.1
93.03431	1.6
95.01363	1.5
96.96020	10.5
101.02456	2.2
107.01455	2.0
108.02191	4.6
109.02958	5.2
117.03477	5.8
119.05019	3.3
121.02993	14.1
122.03305	2.7
123.00915	2.8
123.04510	3.0
127.00375	1.6
136.98816	5.8
137.02490	7.5
138.03264	3.4
139.00354	1.9
152.01181	3.3
153.01935	13.9
153.05603	10.3
154.05930	2.8
163.00346	2.8
165.01926	4.8
166.99814	3.3
167.03500	5.6
182.02145	2.3
183.02939	2.0
183.04515	2.0
190.99788	2.1
192.00694	1.3
195.03143	1.4
197.04564	19.4
198.04890	6.2
211.03975	1.7
212.04834	1.6
213.05649	2.4
216.61121	1.3
239.03465	2.3
239.05621	1.8
241.05075	3.1
243.03030	1.6
255.02887	1.9
267.02966	2.3
283.02548	2.8
284.03268	40.4
285.04062	100.0
286.04358	2.0
297.06326	7.8
299.05563	11.9
312.80954	1.3
378.14047	1.5
597.12524	76.2
598.12653	4.2
676.30573	34.2
677.08197	49.7
677.30743	16.2
678.08997	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	677.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	1.7
65.00330	5.8
65.99847	3.0
68.99807	3.5
96.00890	2.8
97.05616	1.6
98.21870	5.6
104.42342	2.0
108.00917	2.8
110.02512	2.4
120.00915	3.2
120.04578	3.1
123.03268	2.9
134.02518	3.3
135.03261	2.2
136.00415	29.8
146.02472	4.2
150.01999	3.5
151.00374	4.0
151.02742	2.2
160.04076	2.4
163.01498	2.0
163.99922	27.2
169.06560	2.6
171.04558	9.7
174.01961	5.8
175.99866	3.5
186.02032	3.5
187.02803	3.4
188.03542	3.1
189.00784	2.5
189.03142	1.6
189.56306	1.8
190.01436	3.2
202.01515	7.7
203.02345	1.6
213.05540	1.7
214.74579	1.6
218.01009	3.0
224.07146	4.0
226.05109	3.8
229.02490	2.6
230.00986	7.7
240.06613	5.8
242.08238	13.2
252.06602	3.1
255.00461	4.3
255.06635	15.1
258.00403	5.6
268.06165	100.0
269.06723	3.9
270.07748	24.6
278.08002	1.9
280.06131	5.8
285.99985	7.0
292.09784	4.8
294.07791	8.1
296.05637	8.0
306.07697	6.1
311.55334	1.9
320.05740	1.9
322.07498	2.1
334.07205	12.3
339.02542	1.9
346.06812	2.7
359.06851	8.5
362.06619	17.2
363.07419	4.8
364.08252	13.8
377.07776	6.5
378.06238	7.1
388.04654	2.3
390.06226	68.2
391.06494	3.2
394.55225	1.8
403.05716	5.3
406.05612	10.5
419.09125	13.6
443.08844	5.9
445.06845	1.8
555.06799	2.1
573.12952	2.7
587.14240	1.9
591.13934	6.3
605.14606	1.7
615.14227	20.3
618.43585	1.8
631.14197	2.0
633.14893	3.9
641.11835	9.5
650.06201	1.8
653.55481	1.7
659.13049	50.1
660.13525	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	677.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	5.1
65.99857	17.5
69.54084	9.5
78.95921	6.4
80.06194	3.3
95.20592	4.0
96.96011	9.4
118.02994	4.7
122.68410	3.8
136.00446	7.7
136.20917	3.6
152.99562	3.5
163.99887	7.1
165.00659	13.1
174.04477	3.2
175.99857	4.2
224.03609	5.1
236.03386	4.3
239.44301	3.7
242.08154	3.6
252.03070	4.0
253.03687	3.9
268.06134	29.4
269.06958	7.0
270.07721	18.2
279.23209	3.5
280.02539	28.1
280.06085	11.2
295.26892	4.0
356.09225	3.9
384.08801	68.8
385.09430	13.1
386.10437	5.0
431.75433	3.5
583.11267	6.5
659.14734	7.8
677.15448	100.0
678.15967	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	677.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.6
69.22851	3.6
71.01382	2.4
73.02958	1.8
89.02439	1.3
89.03976	1.3
94.54768	0.6
99.00894	2.0
101.02451	1.5
113.02473	1.3
117.03487	4.6
119.05013	0.8
132.02180	2.3
134.03758	75.1
135.04120	1.0
149.06117	6.6
160.01645	7.3
167.03551	1.0
175.04041	9.1
178.02785	1.3
191.05496	0.7
193.05080	100.0
194.05412	2.5
229.14441	2.5
238.86276	0.7
351.02737	0.8
397.15179	1.2
550.17303	0.8
633.22046	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	677.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97658	0.7
55.64750	0.8
59.01381	3.1
67.43317	0.7
69.03467	1.4
71.01393	2.0
73.02971	1.8
74.16001	0.8
83.05046	1.1
84.02211	0.8
85.02970	4.1
96.96033	1.4
97.02979	2.1
97.06588	2.2
98.99708	0.7
99.00885	2.0
101.02454	0.8
110.03768	1.0
113.23599	0.8
117.03492	3.2
119.05022	1.1
125.09756	0.8
127.11282	1.0
127.39703	0.7
132.02246	1.3
134.03758	47.2
135.04465	1.0
137.09749	1.3
139.11308	0.9
149.06148	4.4
153.12933	1.2
160.01675	5.7
162.10527	1.3
163.11397	1.3
165.09007	1.1
165.12866	11.8
169.12428	0.7
171.10307	4.0
175.03996	6.4
178.02771	1.2
179.10643	1.8
183.13916	1.7
191.07005	1.0
193.05084	62.1
193.08440	7.9
193.12212	2.8
194.05406	1.4
197.11856	0.9
203.10687	1.4
205.12141	3.3
207.10037	11.5
209.11861	2.0
211.13463	10.0
219.10118	4.4
221.09755	0.9
221.11716	8.8
229.14389	7.2
230.09424	0.8
231.10103	7.1
233.11603	58.5
235.09625	0.8
243.10094	2.2
247.09506	1.7
248.10258	1.6
249.11293	8.8
251.12640	9.7
261.11093	15.0
291.19708	1.8
313.17722	3.8
327.21786	63.8
329.17282	0.9
331.18896	8.0
349.19974	100.0
397.15134	1.4
633.22449	0.9
677.41925	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	677.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13921	0.4
52.87592	0.4
53.52135	0.4
59.01368	0.7
61.88846	0.4
61.98836	100.0
69.99535	1.3
78.95935	0.5
96.96077	0.4
98.21983	0.7
116.92837	0.5
119.05064	0.9
135.04492	0.4
191.21960	0.5
234.82591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	8.3
61.46172	1.5
61.98820	2.3
69.12067	10.2
71.01391	4.7
78.95919	2.5
85.02959	3.1
87.00859	2.0
89.02460	2.6
94.06644	3.7
96.96022	6.8
98.21820	2.6
99.92651	2.2
101.02466	4.9
110.98530	3.1
113.02479	4.9
116.92865	4.2
118.06567	1.7
119.05054	1.6
122.06174	9.2
123.04517	3.7
124.04074	5.5
126.11156	1.5
127.11318	2.3
133.02995	2.1
134.06139	2.3
135.04521	2.0
138.05614	1.9
139.17787	1.4
154.04987	2.1
156.06699	8.0
161.04588	3.5
162.05562	3.9
167.01727	4.4
167.03481	6.7
167.04828	4.0
167.14436	2.2
171.10239	1.9
174.05699	2.2
180.06741	2.1
184.98717	1.6
188.07161	4.6
197.04550	1.7
209.11963	2.1
211.13469	7.6
211.68204	1.4
213.10350	5.7
225.10341	1.7
229.14465	100.0
239.11929	11.1
241.13492	6.1
251.11923	2.4
253.09288	20.9
261.02893	2.7
265.09909	3.1
267.11368	2.6
279.11603	1.9
281.12796	1.5
285.04059	5.7
285.12509	19.0
291.11377	2.7
292.12366	2.0
293.09399	4.6
293.13086	4.4
301.11954	2.0
307.10886	5.9
308.11661	3.8
309.12506	3.2
329.12262	1.5
346.19135	2.8
352.10535	2.4
353.11261	2.9
356.14316	1.9
372.17059	3.8
384.13339	2.0
399.15857	3.4
412.16681	4.9
414.18237	15.4
417.16925	1.7
433.65814	1.6
441.28683	8.6
446.16650	3.2
458.17349	7.7
461.13443	1.8
465.23691	2.6
478.19870	1.6
490.19775	6.0
505.90414	1.5
508.17581	1.6
522.19476	3.5
536.20361	1.8
551.23267	5.5
554.21423	3.5
569.24078	20.5
583.25598	5.2
595.22168	3.6
601.26703	3.3
613.23145	18.0
627.24274	6.9
628.23108	2.8
633.29102	2.1
645.25800	20.5
659.26727	8.5
677.28229	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	677.283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.0
61.98820	2.8
69.23450	12.8
69.23856	5.0
71.01366	6.7
73.02969	3.3
77.76771	2.9
81.03475	3.4
84.04664	2.7
85.02946	5.4
88.98804	4.7
89.00674	2.9
91.01903	7.7
94.06637	11.8
96.96016	5.3
101.02440	3.4
107.01392	4.4
107.03803	4.5
108.02193	11.2
108.04597	3.6
109.02956	6.8
113.02451	5.4
115.52441	3.2
116.92836	4.5
118.06660	8.6
122.06144	31.4
123.00991	3.5
123.04532	34.1
124.01690	5.6
124.04037	17.3
134.06125	12.8
138.05653	4.3
144.04556	3.8
146.06126	4.2
151.00414	6.1
152.01181	12.0
153.01955	7.3
154.05098	5.4
156.06651	27.3
158.93684	3.8
160.06421	4.6
162.05640	16.0
167.03523	70.8
172.04124	3.4
174.05592	9.0
176.07428	3.1
188.07124	15.8
201.10339	6.9
204.06685	4.1
209.04558	5.8
213.10329	22.9
225.10420	3.3
230.88400	3.4
239.11922	41.5
241.13548	23.8
249.10365	3.4
251.12032	10.6
263.12115	3.4
265.09824	10.5
265.13589	3.0
267.11475	4.4
277.09741	7.1
279.07669	3.3
279.11627	6.4
280.12027	5.0
281.13046	4.0
284.03299	3.6
285.04031	9.6
285.12457	69.0
291.08286	3.6
291.11359	14.3
292.12192	10.6
293.09351	17.1
293.12967	16.0
299.40173	3.8
307.10840	15.9
308.11621	14.6
309.12540	12.1
346.19202	5.9
352.10550	4.9
353.11295	15.5
358.15585	3.6
367.12933	4.8
369.14905	3.7
370.15616	10.4
372.17102	12.2
384.13577	7.1
398.15097	9.7
399.15607	12.7
412.16837	15.5
414.18283	53.4
415.18930	3.9
416.16458	6.5
446.16718	15.2
458.17313	36.7
490.20343	28.4
508.17136	8.8
522.19147	11.0
524.21765	10.0
537.20624	4.0
551.22876	23.1
554.21600	11.2
569.24109	71.6
570.23859	4.2
583.25635	14.9
595.21796	9.5
597.12909	5.3
601.26593	6.1
613.23059	56.9
614.23291	7.6
615.27667	7.7
627.24420	21.9
628.22693	5.9
633.28943	11.7
645.25629	77.8
659.27209	47.0
677.28174	100.0
678.28821	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03443	1.1
59.01387	46.5
61.98838	1.7
68.05498	0.8
69.03446	1.7
69.65094	3.1
71.01392	32.4
72.10900	0.8
72.31107	0.8
72.99326	1.1
73.02953	5.0
73.72759	0.8
75.00896	1.0
80.96506	0.8
81.03460	2.0
83.01401	4.3
85.02958	7.0
87.00897	7.9
89.02451	29.8
91.04020	0.8
95.01408	2.5
97.02975	6.4
98.21923	1.2
99.00903	1.2
101.02451	25.2
113.02466	12.6
115.04094	0.8
119.03532	10.4
125.02472	12.6
131.03522	2.3
135.21297	0.8
139.03999	1.4
143.03532	5.3
161.04544	4.8
161.82162	0.8
167.03490	1.8
171.03152	0.8
179.05629	6.1
195.69705	0.9
217.07158	1.3
221.06676	2.1
235.05939	1.6
235.08237	14.0
235.54636	1.0
245.06703	0.9
253.09309	2.9
263.07693	1.6
278.02945	0.8
279.23318	100.0
280.23679	4.8
287.07700	2.6
305.08777	4.0
323.09860	1.3
397.13544	73.1
398.14011	3.1
415.14566	34.0
416.14853	1.3
509.93024	0.9
538.73657	1.0
577.27368	1.3
622.81848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03435	1.1
58.00596	0.4
59.01386	47.6
61.98842	0.6
69.03447	1.5
71.01389	35.0
71.41291	0.4
72.99300	1.6
73.02954	5.6
75.00882	0.8
79.01888	0.4
81.03456	1.6
83.01392	3.4
83.04988	0.6
85.02956	6.5
86.03265	0.4
87.00358	0.5
87.00887	8.2
89.02454	31.2
90.02792	0.5
91.03983	0.7
95.01398	3.0
97.02959	6.3
99.00871	1.5
99.04488	0.5
101.02455	27.0
104.56289	0.4
106.79877	0.4
109.02935	0.5
111.04510	1.2
113.02462	14.5
115.03996	0.8
119.03516	8.9
121.02948	1.1
123.04419	0.4
125.02462	12.4
131.03520	1.5
133.05054	1.1
137.02477	0.8
139.00122	0.5
139.04010	1.2
141.01930	0.5
143.03510	5.8
149.04584	0.9
161.04575	6.5
167.03499	0.4
179.05641	6.2
181.68388	0.4
199.06064	0.4
203.05649	0.6
217.07111	0.8
219.05185	0.4
220.95056	0.4
221.06636	2.6
235.08238	13.6
235.10622	0.7
245.06573	1.1
245.85115	0.4
253.09373	3.2
261.22305	0.6
263.07745	1.3
277.09344	0.9
279.23315	100.0
280.23639	5.0
287.07745	3.2
305.08759	3.1
323.09872	2.1
361.11548	0.5
379.12283	0.7
397.13544	71.1
398.14072	2.8
415.14606	31.3
416.15015	1.3
472.52795	0.4
690.83112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65149	0.6
56.92076	0.7
57.03444	1.3
59.01390	3.0
61.98818	1.0
69.03445	1.1
69.35426	0.7
71.01383	2.8
71.05025	1.2
71.42628	0.7
73.02961	1.1
80.02666	0.7
81.03459	0.9
83.05039	1.3
84.02163	1.0
85.02982	3.9
92.40132	0.6
93.03489	0.8
95.05034	1.8
96.36724	0.8
96.96040	0.8
97.02976	2.1
97.06616	3.6
99.00916	0.8
101.02500	1.2
113.02410	1.1
117.03481	1.9
119.05041	1.1
124.06853	0.6
125.09787	1.6
127.07600	0.7
134.03758	15.1
137.09743	2.7
139.11275	1.0
141.09277	0.9
149.06096	1.0
151.11270	0.8
153.12811	1.4
160.01721	2.5
163.11305	1.9
165.09013	1.6
165.12862	14.5
167.10783	1.1
167.14516	0.8
169.12416	0.9
171.10283	6.9
175.03992	2.6
177.12883	0.8
179.10585	1.4
181.08522	1.3
183.13947	2.5
188.06898	0.7
191.06927	1.1
191.10719	1.2
193.05078	18.0
193.08485	10.7
193.12236	3.2
194.05348	0.9
197.11940	1.3
199.13394	1.0
201.08961	0.8
203.10603	2.0
205.12083	4.0
207.10040	13.9
209.11914	1.9
211.13435	14.9
211.15387	1.3
215.10625	1.7
219.10066	4.5
221.11703	10.2
229.14461	9.0
231.10072	7.7
233.11612	73.1
234.11980	2.7
239.12959	1.0
243.10106	1.5
246.95470	0.7
247.09581	1.4
247.20746	0.8
248.10277	1.4
249.11304	10.2
251.11482	10.8
251.12704	10.4
252.11603	1.9
261.11139	14.9
262.11578	0.7
279.11368	0.9
291.19781	2.2
309.20633	1.1
313.17950	4.6
327.21796	70.1
328.22192	3.6
331.18945	9.5
349.19995	100.0
350.20377	7.3
398.25150	0.7
401.25906	0.7
677.41907	11.9
678.42212	2.0
685.20270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.3
65.72325	0.2
71.23124	0.2
80.05058	0.2
81.03465	7.5
82.06600	0.4
83.05035	18.0
84.05363	0.4
98.22688	0.5
100.07686	0.3
107.06146	0.4
108.04581	0.3
115.33035	0.2
120.18001	0.2
125.07216	1.4
126.05609	0.5
132.73128	0.2
143.08258	0.6
161.44177	0.2
167.01720	0.3
207.14951	1.1
224.17679	2.8
224.37762	0.2
225.16101	12.4
226.16385	0.5
242.18759	0.7
250.15678	0.2
269.64215	0.3
309.21741	0.9
324.26550	0.8
333.22739	1.2
341.29205	0.8
367.27042	1.2
407.33487	0.3
433.31674	1.3
450.34738	1.3
451.32935	6.1
452.33487	0.4
550.43567	0.7
559.39227	0.5
565.44330	0.3
593.43982	0.6
610.23315	0.2
659.48053	1.5
677.49738	100.0
678.50055	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	678.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01929	1.5
65.00331	1.2
65.99854	15.7
68.99818	1.7
69.95784	0.8
69.96109	2.0
86.57373	0.8
89.99830	0.9
96.00906	2.1
96.95932	0.9
109.01705	4.7
110.02467	2.4
116.05073	4.6
119.46002	0.8
120.00883	2.4
121.01667	3.6
122.02476	1.5
123.03271	4.9
134.02519	4.8
135.03302	4.8
136.00420	7.0
137.01086	0.8
138.01930	1.5
141.04602	1.8
151.02759	4.9
155.02234	1.3
163.99884	3.2
165.00696	12.7
166.01427	0.8
171.04556	1.8
175.99899	7.1
192.03024	3.6
207.05611	1.2
219.05585	1.6
224.07271	1.2
226.08640	1.2
228.06630	1.3
231.05649	2.0
233.03445	1.1
235.05009	0.9
238.05168	1.5
242.08255	40.6
243.08607	1.3
247.05080	1.3
252.06612	1.3
259.05121	4.4
268.06198	8.3
269.06949	9.2
270.07736	100.0
271.08044	3.2
275.04709	1.1
280.06201	12.7
281.06631	1.0
303.04126	28.9
304.04532	1.4
354.16537	0.8
365.09210	2.9
379.10654	1.3
385.11850	1.6
397.11688	1.6
407.10394	75.9
408.10901	5.1
409.11694	1.1
430.20538	1.0
450.23669	0.8
542.35852	0.8
561.13135	1.2
678.18921	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	678.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24886	12.8
58.25163	13.5
61.98837	75.7
69.08651	100.0
83.83414	12.6
119.05057	21.0
122.02484	67.6
155.55231	13.6
177.68274	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	679.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98169	0.7
71.40923	1.0
91.03106	0.8
96.96024	1.6
127.95222	0.8
131.02519	1.9
133.90086	0.7
159.02000	1.0
171.04454	1.4
181.04031	1.1
185.03642	2.1
187.01517	2.0
193.04185	1.0
198.04346	1.1
201.03159	0.9
209.03563	5.1
210.26949	1.0
211.01431	0.9
213.03108	2.6
215.00983	20.9
215.02966	1.3
216.01367	0.9
222.04309	1.1
225.03065	3.3
229.02570	0.8
237.03050	5.2
241.02597	3.8
253.02550	7.1
265.02612	4.3
266.03143	0.8
269.01920	1.4
269.04529	1.4
279.00507	3.3
281.02084	5.5
281.86560	0.8
282.02701	1.6
293.02032	2.3
294.02884	1.0
309.01550	4.9
321.01440	2.3
323.08041	0.8
324.03857	1.5
334.99518	1.3
337.01071	7.7
338.01773	1.0
364.06418	1.4
365.00336	6.3
369.09024	1.0
385.08392	1.4
395.06961	1.1
413.07870	2.1
430.07886	1.2
441.02060	0.9
441.07288	5.0
469.06778	100.0
470.06931	5.7
472.94257	1.0
486.07031	9.1
487.07837	3.1
573.96429	0.8
599.08441	1.1
635.12787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.152
Annotation	Luteolin 7-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
59.01382	21.6
64.03749	0.9
69.13487	6.8
71.01402	2.3
75.00880	1.5
79.36673	1.0
85.02963	5.5
85.06578	5.0
85.34606	1.1
88.33356	0.9
88.98832	1.8
95.01396	2.0
96.96026	3.9
99.00838	1.4
113.02459	8.4
113.06100	9.5
131.07155	43.6
133.03033	1.8
136.98860	1.2
139.00352	1.4
151.00444	2.1
160.54677	1.2
166.39401	1.0
170.75740	1.1
173.08199	24.0
175.02487	4.0
207.01073	1.3
211.04128	1.2
213.05600	1.4
227.92563	1.0
251.57068	0.9
263.51419	1.1
267.02875	2.3
285.04074	100.0
286.04358	6.1
335.12512	1.6
433.20340	1.1
461.07309	23.3
462.07687	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	679.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28800	0.8
59.01381	7.1
69.12800	4.7
71.01382	3.5
73.02951	2.3
85.02985	1.1
88.58522	0.8
89.02470	2.3
99.00900	4.5
101.02464	2.0
107.05037	2.7
113.02482	1.9
117.03482	0.8
119.05029	2.5
132.02187	1.6
133.02977	18.9
133.03899	0.6
134.03773	8.0
134.61296	0.7
135.04543	100.0
136.04919	1.9
148.30037	0.7
161.02466	52.8
162.02792	0.9
166.83267	0.8
179.03519	62.4
180.03870	1.7
191.05627	0.7
217.04788	0.7
241.27657	0.8
473.16669	1.7
511.50238	0.9
537.25458	0.8
593.18939	1.1
630.39105	0.7
635.19873	52.2
636.20233	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	679.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.9
59.01676	0.7
70.05165	1.0
71.01398	3.7
72.99317	0.8
73.02954	1.6
78.95905	0.9
79.95746	2.4
81.47301	0.3
83.01386	0.4
83.23980	0.3
85.02960	1.3
89.02468	2.0
91.05536	0.7
93.03461	0.6
96.96023	85.6
97.02976	0.5
99.00887	3.4
101.02462	2.4
104.02708	0.5
109.59130	0.3
113.02454	2.3
114.93470	0.4
117.03460	0.8
119.01429	1.1
119.03526	0.5
119.05028	2.3
121.02972	12.0
131.03540	0.5
132.02185	1.6
135.04495	0.7
137.06090	0.7
147.00829	0.4
147.04536	4.0
149.02460	63.6
150.02821	1.4
152.01224	0.4
161.04567	0.3
163.04034	1.3
164.04813	47.0
165.05159	1.2
175.00385	3.9
179.07146	4.6
190.00960	0.6
190.02731	11.4
191.03101	0.4
191.05685	0.5
193.01424	1.5
205.05070	24.1
206.05400	0.6
208.03789	5.0
223.06137	100.0
224.06485	2.8
232.58118	0.4
233.08287	0.4
255.99860	0.3
281.10342	0.6
290.00488	0.3
333.20938	0.5
341.12451	0.4
413.14655	1.7
455.15863	2.5
473.16663	3.3
477.25125	3.2
537.26984	3.0
624.84241	0.3
668.03180	0.4
679.22443	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	679.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79485	0.5
61.98835	100.0
68.14886	0.5
71.43996	0.7
78.85398	0.5
84.63612	0.5
122.98006	0.5
155.18854	0.5
255.46300	0.5
316.82022	0.5
476.87137	0.6
570.54016	0.5
704.21533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.6
61.98835	100.0
66.43844	0.2
69.12566	2.0
71.01385	3.2
72.99323	0.6
73.02950	0.5
83.01396	0.3
85.02982	0.8
87.00893	0.9
89.02449	2.8
95.87578	0.3
97.02957	0.5
98.22624	0.8
101.02460	2.3
113.02467	1.3
119.03531	1.0
125.02471	0.8
143.03555	0.3
161.04593	0.7
179.05676	0.6
235.08223	0.7
263.07483	0.4
277.48059	0.3
281.24887	10.0
357.49197	0.3
397.13562	7.7
415.14554	3.0
528.79059	0.4
537.64508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65904	34.5
59.81809	31.7
61.98827	56.3
70.63746	47.0
70.64065	43.5
73.37053	33.3
76.00227	40.7
119.04994	37.9
122.02517	100.0
217.00435	43.3
237.15829	38.1
240.47501	35.0
554.26978	41.4
678.62164	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91997	0.1
59.70499	0.1
61.98835	100.0
63.23078	0.1
69.19621	0.8
80.05737	0.1
91.90597	0.2
123.55257	0.1
124.69090	0.1
141.87427	0.1
152.40750	0.1
155.03865	0.1
169.89439	0.2
258.20782	0.1
554.44647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2625
Annotation	Scutebarbatine I
Peak:m/z	Relative Intensity
58.33178	0.3
69.99550	0.6
69.99907	0.6
70.07657	0.3
73.65080	0.3
76.14961	0.3
78.03480	2.0
82.67159	0.3
91.73873	0.3
121.02965	1.6
122.02495	100.0
123.02834	1.1
136.60722	0.3
212.29962	0.3
231.27666	0.3
270.08160	0.4
293.21207	0.4
311.22238	0.4
328.22867	0.3
367.16373	1.1
369.18192	2.3
370.18250	0.8
384.10745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09177	0.6
55.25273	0.6
59.01390	1.1
61.98836	100.0
70.98225	1.0
74.53311	0.5
116.92950	0.7
117.03442	1.0
119.05051	2.8
133.25052	0.7
135.04530	1.0
175.22247	0.7
185.70895	0.6
278.10730	0.6
283.10953	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	681.168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12741	1.3
51.65494	1.4
59.01381	4.7
65.00333	3.5
69.25602	2.6
69.26009	5.2
71.01371	1.9
82.00626	1.9
95.01396	2.2
96.95531	1.5
110.00111	18.0
111.00891	2.7
123.00867	1.4
124.01725	4.9
136.01645	2.4
136.98810	3.1
137.06123	1.5
137.99608	6.0
139.00401	6.6
152.01170	6.9
164.98270	1.8
165.99107	15.9
166.99812	3.5
168.69159	1.4
181.06607	1.6
225.05527	3.3
227.07147	4.0
241.05098	2.6
243.06642	30.7
253.05061	5.8
269.04514	7.3
270.05371	15.1
271.06146	100.0
272.06583	5.1
302.15729	1.7
313.07376	2.3
315.19565	2.0
357.13483	5.5
383.28091	1.6
415.10022	1.9
433.11386	48.9
434.11490	2.3
475.12497	96.1
476.12894	5.4
492.18262	1.4
517.13422	1.6
637.17694	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	681.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49530	1.1
53.70749	1.2
58.07051	1.0
59.03135	1.1
60.10297	1.0
64.01932	1.4
65.00329	2.0
65.99854	4.2
67.72947	1.1
68.99815	2.1
70.97034	1.7
78.01119	10.7
83.01382	1.6
91.01881	1.5
96.00892	1.7
110.00121	2.7
110.02553	1.6
116.05085	10.9
123.03294	2.6
124.01664	1.5
131.04993	1.4
134.02492	3.6
135.03265	2.5
136.00444	8.7
136.01482	1.5
137.99568	1.3
142.06631	2.1
151.02742	2.3
153.05847	1.3
154.06651	1.5
163.00406	2.3
163.99899	4.2
165.28650	1.2
166.06644	3.4
171.04555	6.8
173.06108	10.9
177.99123	12.2
178.06685	1.4
179.07167	1.3
182.06140	5.1
190.99821	2.4
192.02971	1.2
198.06975	2.4
206.06056	6.5
208.07716	2.5
213.05408	1.8
225.05592	2.8
226.06416	2.7
226.08463	1.3
240.06598	2.4
241.05135	1.7
242.08257	25.9
243.06587	6.0
253.05063	2.5
255.06580	2.0
264.06519	1.7
267.06650	3.1
268.06122	13.5
269.04538	4.2
270.07733	39.0
271.06039	7.4
278.04523	2.7
279.05319	2.2
280.06174	5.4
282.05249	5.6
295.06223	3.9
306.04025	2.7
307.04913	4.6
366.11331	1.4
382.11057	8.9
383.11234	1.4
384.12372	2.1
392.09113	1.4
409.12213	6.5
410.10352	100.0
411.11096	53.0
412.11755	10.5
523.08679	1.4
564.13434	3.7
681.18738	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	681.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
61.98826	0.4
71.01388	1.6
73.02938	0.4
78.95905	0.3
79.93736	0.2
79.95737	3.1
82.95427	0.6
83.01401	0.3
85.02962	0.6
88.98820	0.6
89.02449	0.3
92.05183	0.2
96.96019	100.0
97.93163	0.6
98.22643	0.8
101.02451	0.7
106.65822	0.3
113.02469	0.5
113.51336	0.3
114.93407	2.5
119.05017	0.3
135.04488	0.3
145.30711	0.3
170.15605	0.3
178.11046	0.2
210.20573	0.3
306.09045	0.5
307.06235	1.1
322.08575	0.8
335.22284	0.3
337.10892	2.3
415.18158	0.5
417.06400	0.6
431.17609	0.4
513.37073	0.3
535.22382	1.6
539.28802	3.1
540.28790	0.5
577.23846	1.5
578.24213	0.3
583.59332	0.3
595.24457	5.4
596.25153	0.4
637.25458	0.8
650.42651	0.3
681.20410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46449	0.8
59.01382	3.4
59.29437	0.9
60.76249	1.0
61.98829	2.0
65.00311	1.2
71.01386	1.5
71.05049	0.8
71.40238	1.1
82.13230	1.0
83.01369	1.4
83.05039	1.3
84.02158	1.0
85.02957	1.1
95.01429	1.0
99.08168	2.8
113.02489	1.0
116.92859	1.7
117.03481	3.1
119.05035	9.4
125.09737	1.6
127.11304	1.2
133.02998	1.3
135.04539	4.3
139.11292	3.4
141.09219	1.0
155.14467	0.9
163.11305	2.3
165.12863	16.4
171.10336	6.2
179.10649	1.0
183.13892	2.2
185.09528	1.0
191.06908	1.4
193.08466	13.4
193.12283	2.2
203.10558	1.0
205.12131	4.7
211.13428	20.0
215.10643	1.1
219.10048	2.0
221.11606	10.7
228.13120	1.1
229.14474	12.2
231.10164	7.8
233.11612	92.3
234.11938	2.9
249.11249	14.2
251.12599	15.9
252.11615	1.5
263.07541	1.6
265.07004	0.9
271.08054	1.0
276.64957	0.9
277.05392	2.2
284.03354	2.4
285.03989	2.6
300.02649	1.1
301.21704	0.9
302.66037	0.9
329.23367	80.5
330.23703	4.0
333.19046	1.2
351.21545	100.0
352.21960	7.4
417.06082	1.8
463.03009	1.3
584.05701	1.3
681.12323	1.8
681.45160	16.7
682.45038	2.1
701.77887	1.1
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	Unknow
Peak:m/z	Relative Intensity
57.89034	0.7
59.01391	4.9
71.01389	2.6
71.40665	1.5
73.02944	2.9
87.07927	0.9
101.02465	1.3
108.02176	1.4
116.24756	0.8
132.66446	0.8
134.03752	1.1
137.02460	1.8
145.02965	1.6
149.02443	2.6
157.02933	1.5
158.03761	1.3
159.04521	1.1
161.02472	2.3
162.03247	1.5
163.04007	2.7
165.01933	2.7
172.05327	1.3
173.02486	4.8
174.03209	3.9
175.04097	0.9
183.04538	2.7
185.02461	9.7
186.03256	2.4
187.03984	2.7
189.01958	10.9
190.02751	33.2
191.03528	93.4
192.03902	2.5
193.01404	1.6
198.03223	1.8
199.03993	4.9
200.04811	5.5
201.05568	2.0
203.03552	3.0
207.02954	1.2
211.04030	19.5
212.04770	1.0
213.01956	64.8
214.02737	38.8
214.04848	0.9
215.03499	12.6
216.04070	1.8
217.01454	13.2
223.60979	0.8
227.03508	13.6
228.04286	9.0
229.05054	6.6
230.02245	1.2
231.02968	6.5
232.03793	1.2
233.04604	2.4
239.03505	10.0
240.04268	4.0
241.04985	1.3
242.02199	1.3
243.02896	1.1
253.05080	3.0
255.03029	6.5
256.03790	32.5
257.04578	85.6
258.01859	1.1
258.04819	4.1
269.04465	2.2
271.06174	1.0
273.04044	6.6
274.04758	7.1
275.05676	19.3
276.06003	1.1
285.03928	1.0
299.05630	11.6
317.06693	4.2
341.06720	1.9
395.09848	61.1
396.10254	3.9
418.09109	2.3
419.09875	2.7
461.10944	100.0
462.11230	5.6
462.16907	1.0
462.49911	0.9
478.11334	3.4
479.12000	61.6
480.12277	4.8
502.23489	1.0
503.11887	7.9
521.12891	2.0
667.90411	0.9
683.18365	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	683.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28575	0.6
59.01391	3.4
60.54140	0.5
61.98822	1.8
66.68969	0.5
71.01385	1.2
72.99317	1.4
79.95705	0.8
83.93102	0.7
84.93882	2.6
85.33762	0.6
96.96019	17.9
98.95591	8.7
98.96434	1.1
99.00874	0.7
99.92591	22.4
100.24909	0.6
100.92697	0.7
100.93371	9.8
110.00079	0.7
113.02464	0.6
114.95004	0.6
115.92097	9.4
116.92869	100.0
117.92889	3.1
119.05031	2.9
120.05286	0.6
126.94974	1.5
141.93645	2.8
142.94440	2.2
143.11455	0.6
154.94415	1.1
156.92427	1.3
158.93912	1.6
167.95226	1.5
168.96022	0.7
170.93915	0.7
181.01398	1.0
182.02264	1.1
183.94730	0.9
184.91812	3.2
184.95370	0.6
196.95424	1.1
205.05124	1.2
223.06206	0.9
226.96542	1.2
244.97597	1.9
259.96359	0.7
279.08981	2.9
286.04987	0.6
301.07172	1.9
307.06110	1.3
322.08304	0.9
330.97516	1.8
337.10797	2.8
479.26279	1.3
493.50928	0.6
561.17773	1.3
579.18781	4.4
597.19714	0.7
603.18768	1.6
621.20422	4.3
639.21130	5.6
639.33612	1.5
683.20117	28.8
684.20197	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	683.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75660	1.3
59.01380	9.2
71.01397	10.6
71.41792	1.5
73.02955	2.4
74.96429	6.5
78.95912	3.0
80.90745	1.3
85.02939	2.7
87.00871	5.8
87.85207	1.1
89.00326	4.1
89.02450	4.6
91.01911	1.6
95.01379	2.0
96.27201	1.4
96.95998	1.5
97.02970	1.3
101.02464	9.6
106.00595	3.4
110.94112	61.9
111.00894	2.6
112.93813	5.5
113.02462	5.9
115.04084	1.3
121.02966	45.1
123.00887	4.7
127.00346	1.9
129.23456	1.2
136.98865	1.4
137.02412	1.6
138.03232	7.3
138.39014	1.1
139.00363	5.0
139.04034	3.2
143.03511	1.8
153.05585	38.5
153.99081	1.2
154.93089	1.7
161.04620	2.4
165.02046	1.0
166.99707	1.4
167.02151	1.2
168.94643	10.5
181.01411	4.5
182.02231	12.1
183.02986	1.6
196.03770	4.0
197.04565	99.8
198.04776	1.4
203.05666	1.6
204.92300	100.0
206.92006	9.8
211.06151	4.3
224.03265	3.5
239.05615	20.2
267.58047	1.3
269.06619	5.4
299.07693	5.1
301.03571	2.9
303.08694	2.7
320.71399	1.5
359.09720	3.5
401.06158	2.1
401.10974	17.1
405.15790	2.4
431.11908	8.4
461.13077	5.1
485.15048	5.0
494.30957	1.3
683.20441	56.0
684.20831	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	683.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.6
69.57281	2.7
69.57657	3.1
71.01389	10.7
73.02954	3.6
83.01377	2.4
85.02929	2.3
87.00880	1.5
89.02475	3.3
91.01949	1.3
95.01378	1.6
101.02460	4.9
110.97383	1.2
111.00915	1.3
113.02472	3.3
121.02967	41.8
123.00908	2.6
125.02502	1.8
137.02469	2.6
138.03235	5.1
139.04012	3.1
153.05595	33.7
181.01442	5.5
181.17366	1.3
182.02200	8.7
183.02969	3.2
196.03786	5.5
197.04567	100.0
198.04871	2.4
211.06071	7.8
224.03314	4.6
239.05635	32.1
240.06146	1.8
269.06729	12.1
299.07709	9.5
341.08276	1.8
359.09888	14.6
401.10910	15.3
431.12039	17.9
432.12155	1.5
461.12982	13.8
485.15164	2.1
521.14850	4.9
539.82953	1.3
563.16199	46.3
564.16339	2.8
593.16626	1.8
623.17560	2.6
683.20782	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	683.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
71.01389	1.6
73.02934	1.0
78.25457	0.9
82.95450	5.2
83.01416	0.8
85.02944	1.3
96.58244	0.9
96.96011	1.0
100.64343	0.7
101.02472	0.9
117.03508	1.2
119.04982	1.7
120.01263	2.1
121.02953	1.8
123.04504	1.3
132.02180	2.0
132.39963	0.8
133.02969	37.2
134.03720	3.9
135.04539	32.2
147.04573	1.3
149.06056	1.8
160.05299	1.4
161.02469	100.0
162.02795	3.4
175.04054	2.3
177.01901	1.1
177.05597	3.4
178.02824	1.1
179.02022	1.6
179.03508	14.9
182.02187	1.6
193.72057	0.9
202.23767	0.8
203.03517	1.1
220.03651	1.1
221.04561	2.9
224.89943	0.8
257.04541	1.2
269.08118	3.7
279.08777	2.9
283.09940	1.5
285.04147	1.9
287.06064	0.9
299.09332	2.5
311.09238	3.7
314.11670	5.3
315.12405	2.4
323.07779	40.7
324.08112	0.9
326.11661	2.4
329.14001	4.6
341.14023	1.2
359.07660	1.3
369.35165	0.9
414.63513	0.9
557.72620	1.2
576.31543	1.0
683.23505	70.2
684.23315	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	683.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36406	0.7
59.01374	1.7
61.23555	0.8
61.98812	2.9
63.60752	0.9
67.09821	0.9
71.01391	2.7
71.41866	0.9
76.20163	0.8
76.82990	0.7
87.00859	0.8
88.98842	1.0
96.96028	1.9
108.02208	1.1
109.02941	1.4
113.02438	1.3
116.93880	0.8
117.03490	1.5
121.02937	2.1
122.03745	1.0
123.04523	0.9
132.02194	2.0
133.02977	41.8
134.03725	2.8
135.04553	25.0
137.02455	1.2
145.02936	1.4
147.04555	1.3
149.06117	2.0
151.03990	1.1
159.04523	3.3
160.05345	7.3
161.02466	100.0
161.06061	3.5
162.02782	2.4
163.03972	1.0
167.03477	1.9
173.06046	1.1
175.04001	2.2
175.07645	5.0
177.05611	3.0
178.02757	1.0
178.06242	2.2
178.59096	0.9
179.02066	1.2
179.03514	14.2
192.08011	1.0
193.05093	1.5
203.03595	1.3
221.04510	2.7
257.04401	0.9
279.08823	2.0
280.05890	1.1
288.99368	0.9
307.08310	1.5
315.12323	2.9
323.07739	20.9
327.88217	1.0
329.13956	3.9
345.17114	1.8
653.22504	57.9
654.22656	4.8
665.22455	4.6
683.12189	1.8
683.23468	30.3
684.23523	2.7
690.59979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40738	1.9
59.01376	8.3
61.23899	2.1
61.57597	2.0
69.03459	2.5
71.01385	3.0
73.02954	3.7
85.02947	4.4
96.96031	10.4
98.22814	3.3
99.04566	3.7
112.43478	1.8
112.47315	2.0
116.63250	1.9
119.05064	3.3
123.04529	2.4
151.11229	2.3
167.03546	2.9
206.09706	2.1
231.14095	2.3
237.07707	4.6
242.02203	2.9
257.04666	8.8
263.20206	5.8
279.08731	16.3
301.03540	3.6
319.19113	5.2
337.20233	22.5
381.19235	100.0
382.19281	3.2
419.07593	9.8
434.77271	2.3
683.17554	2.5
683.30017	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	683.237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98815	1.4
65.00349	1.0
65.99845	1.0
68.99802	0.8
76.06176	0.7
95.01427	0.8
96.96019	31.0
96.96957	1.2
97.95955	1.2
98.95573	1.4
99.92597	2.4
99.96051	0.7
100.93343	1.2
109.02980	1.0
110.02477	2.6
115.92065	3.1
116.92866	15.9
120.00916	5.7
122.02459	1.3
123.03252	4.7
124.00421	0.9
130.58272	0.8
134.02513	3.6
135.03328	5.8
135.04268	1.2
136.00441	4.1
138.01968	2.6
138.03229	1.1
145.06586	2.7
149.01141	0.9
151.02785	4.2
159.04468	1.4
163.99918	3.5
164.08685	1.0
165.00604	0.8
166.01472	1.7
171.04533	2.3
177.00620	1.0
179.02039	1.0
191.99417	4.9
192.03027	4.4
192.11479	0.8
197.04596	4.4
197.06119	0.9
200.04808	0.9
200.07184	1.6
205.00232	1.2
218.00926	2.9
224.07248	1.1
225.05576	1.3
226.05080	1.3
226.08714	2.5
228.06676	2.3
240.06673	3.0
242.08246	49.2
243.08597	1.7
252.06599	2.1
254.04605	1.0
265.08694	1.8
268.06137	10.8
269.04391	1.2
270.07727	100.0
271.08078	3.0
296.05673	52.5
296.09018	2.0
297.05966	2.3
298.15656	0.9
304.02121	0.9
336.12946	1.5
337.12711	1.6
442.12878	1.2
526.38245	0.9
651.21014	1.0
683.23602	86.9
684.23730	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	683.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	22.1
69.19607	100.0
88.70986	13.7
89.84841	15.0
93.88187	14.9
115.04044	54.1
117.05603	23.3
119.97134	14.4
162.00262	15.5
216.37282	14.7
289.23349	18.4
324.54019	17.8
421.87228	17.4
480.70459	17.3
696.52246	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	683.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	1.4
59.01385	74.7
71.01390	1.5
74.02477	2.6
74.99109	3.3
82.02998	2.5
82.32216	0.7
83.01393	1.4
84.04553	3.0
86.02486	19.1
88.04058	1.3
88.31552	0.7
96.04552	0.9
96.96027	3.2
109.02927	0.8
109.07726	1.2
110.06068	0.8
111.00897	1.5
113.02427	0.8
116.92897	0.9
117.03474	1.7
119.05008	4.1
123.00905	0.9
126.06699	0.8
127.05167	3.8
127.08794	14.3
128.03555	100.0
128.92268	0.8
129.03909	1.7
135.04558	1.8
145.02959	0.8
153.06709	5.3
171.07773	93.9
172.07979	1.0
179.04649	1.8
181.01460	2.6
182.02216	3.4
187.03874	0.8
189.45407	0.8
197.05774	1.8
215.06731	12.9
227.06970	1.0
250.58173	0.8
257.04791	1.4
279.08792	3.7
284.03326	1.1
317.21198	1.4
347.16864	1.8
365.18079	1.0
401.06705	1.7
403.04675	1.0
407.14212	1.0
407.19025	4.8
426.40900	0.8
467.21027	1.8
479.17126	1.4
494.22296	2.0
554.24304	15.9
665.27740	1.8
683.28448	12.7
684.29291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
67.45423	0.5
75.00883	1.5
103.00401	2.3
103.01508	65.4
142.95163	0.6
163.58994	0.7
166.30093	0.6
188.64485	0.6
230.01491	0.6
289.26538	0.6
494.93710	0.6
555.02362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38980	1.5
57.03444	5.3
59.01377	7.5
61.98833	1.6
70.93671	2.5
71.01394	2.4
79.71466	1.5
89.02442	3.9
89.07397	1.7
97.06588	14.5
101.02495	2.0
116.16894	1.7
123.08170	4.9
125.09735	100.0
143.10809	1.9
157.54552	1.6
161.00848	1.7
169.08826	1.9
175.38716	1.7
187.08083	4.1
187.09766	74.1
277.21783	12.1
305.98572	1.7
405.17731	5.7
423.18762	20.0
477.09003	1.7
683.40143	98.9
684.40692	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	683.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59497	1.3
54.72489	1.4
57.03455	4.0
59.01377	4.7
61.98836	3.1
66.21611	1.4
69.03444	1.6
70.22156	1.7
70.22507	3.1
71.01386	3.2
73.02934	2.0
78.95872	1.5
87.00887	2.5
89.02476	2.4
97.06596	15.5
98.21956	1.5
101.02436	2.8
113.02438	1.9
123.08171	9.5
125.09742	83.9
134.21204	1.4
135.99167	1.3
145.05052	1.6
157.55873	1.3
161.09808	1.4
187.09775	34.0
197.53607	1.6
229.38120	1.5
235.08075	2.0
253.09334	2.7
277.21744	43.6
278.22104	3.3
405.17706	5.1
423.18674	4.8
464.58206	1.5
683.40192	100.0
684.40326	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	684.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82239	1.3
61.98829	2.1
64.96974	1.4
69.36828	4.1
69.37230	2.7
73.81179	1.2
76.60241	1.1
77.05400	1.3
78.03503	1.8
85.02942	4.6
93.02875	2.6
93.03465	49.2
120.69780	1.5
122.02495	71.7
135.01088	1.2
137.02458	100.0
139.45853	1.2
171.10338	1.7
171.28239	1.6
255.17500	2.7
273.18365	2.2
345.17123	12.3
465.19345	6.7
516.23798	13.4
588.22400	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57507	6.4
61.41187	6.5
70.24239	15.1
109.85965	6.6
134.11374	5.8
145.68660	5.6
213.06001	7.9
260.78568	7.8
384.75012	6.7
481.15317	30.9
540.16559	13.0
555.18945	54.8
572.16479	8.0
630.96094	6.4
641.22699	23.4
684.23138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
65.00329	5.5
71.01389	3.0
73.02961	1.7
82.07890	1.5
83.01373	3.6
85.02953	3.0
89.02463	2.0
93.03497	2.4
95.01405	1.7
96.96017	12.5
101.02474	2.3
107.05055	2.4
109.02950	6.8
111.00906	1.8
113.02445	1.7
117.03506	1.7
119.05016	6.1
125.02403	2.6
133.02966	27.7
134.03780	12.9
135.04552	5.3
135.08168	2.1
136.98820	7.9
139.00369	1.7
149.06078	10.1
151.04031	1.8
151.07573	1.6
163.07671	5.0
165.05675	1.7
172.05254	2.0
174.03023	1.6
175.03995	6.2
177.02058	2.3
179.27643	1.6
179.79956	1.6
181.01404	2.5
182.02220	2.4
187.04001	2.7
190.23314	1.4
191.07106	2.7
199.03969	3.0
201.05507	2.4
203.07065	2.3
205.08618	2.3
214.17198	1.6
215.07091	2.0
216.04295	3.3
217.05025	3.9
221.49306	1.5
227.03615	3.5
228.04222	2.1
231.06786	2.3
233.08139	2.8
243.03021	3.2
245.08151	7.8
254.05753	1.8
255.03078	2.1
257.04630	2.2
267.08813	12.4
269.33246	2.0
271.02365	2.2
272.03409	2.6
279.08777	24.8
280.09058	8.9
281.09158	4.9
285.04037	4.5
297.07727	5.1
297.11127	1.7
299.01987	2.3
300.02777	71.6
301.03183	4.0
315.01535	3.6
315.05154	62.6
315.73587	1.7
321.81335	1.7
323.09256	1.7
341.10278	14.1
369.09814	100.0
370.10114	4.9
412.36993	1.6
417.06125	7.9
421.08704	2.2
467.64584	1.6
527.58179	2.1
685.15070	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	685.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.6
69.03470	0.8
69.88326	1.5
71.01380	1.8
71.05022	1.4
73.02941	0.8
77.03985	0.8
78.95913	1.0
83.01400	1.0
85.02940	0.8
87.00876	1.1
89.02464	0.6
93.03465	1.6
95.05058	0.9
96.96017	0.7
97.02966	7.5
98.22575	0.8
101.02462	1.0
108.02170	0.6
109.02979	4.2
113.02448	0.8
120.33363	0.5
120.99660	1.9
121.02964	4.7
122.03711	0.7
123.00909	0.6
132.02141	0.9
134.03745	5.0
137.02457	20.1
139.04022	30.5
140.04352	1.0
149.02473	1.1
149.06090	1.0
150.03256	4.3
151.06160	0.7
153.01958	10.7
160.01668	6.8
165.01945	100.0
165.05547	3.0
166.02252	2.8
170.99878	0.8
175.04013	8.2
176.04782	0.5
178.02849	0.5
178.27061	0.4
180.04257	0.6
183.03012	2.9
187.04004	0.5
191.07111	1.4
193.05078	6.2
195.02980	0.7
195.06674	1.1
235.06081	2.5
246.97153	0.7
265.07132	0.5
271.01645	0.6
280.28711	0.5
297.06305	0.7
302.90045	0.5
315.07172	0.8
327.07159	4.6
341.10291	0.6
345.08304	48.7
346.08655	2.8
357.08356	0.9
371.11838	0.4
401.12573	0.5
458.27545	0.6
459.15112	0.6
463.09293	1.7
481.09720	2.5
489.16119	15.4
490.16644	0.6
508.16592	0.4
523.21814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.0
60.61580	0.7
69.69255	2.3
71.01395	5.1
73.02942	1.8
73.28066	0.5
74.96911	0.6
77.51736	0.7
79.92459	0.6
85.02934	1.8
87.00874	0.7
89.02478	3.1
93.03468	1.2
95.01409	0.6
97.02949	2.2
101.02465	3.7
108.02200	0.7
109.02930	1.3
113.02446	1.9
117.03452	1.7
119.03506	1.9
119.04990	0.7
120.99679	1.7
121.02953	5.4
122.03759	4.4
132.02179	7.5
133.02946	2.3
133.05104	1.6
134.03758	34.4
135.04454	1.5
137.02457	3.4
139.04025	4.9
139.89017	0.6
147.04562	1.6
148.05309	1.5
149.02461	7.3
149.06093	6.4
150.03239	27.4
151.06079	4.2
153.01950	2.7
158.03711	0.7
160.01678	40.9
161.02127	1.3
164.04828	1.9
165.01949	18.4
165.05582	20.4
166.02310	0.9
166.05945	0.8
173.06088	1.3
175.04021	51.0
176.04773	5.9
177.02014	0.9
178.02725	3.2
179.03404	0.9
180.04327	1.9
191.07166	7.8
193.05070	43.1
194.05363	0.8
195.06647	7.8
207.06628	2.6
220.03842	1.0
235.06123	18.3
236.06584	1.0
250.06300	1.5
265.07275	2.7
267.06702	0.8
282.08978	4.2
295.08090	2.4
295.10440	2.9
341.10284	13.1
345.08313	6.7
355.11017	2.0
371.11444	2.1
383.11292	3.2
389.12451	4.5
431.13281	1.5
459.14706	2.9
481.13913	1.1
489.16174	100.0
490.16528	8.2
491.16214	0.8
523.21130	0.7
585.02698	0.7
637.21509	3.1
638.20984	0.9
685.23444	11.7
685.34113	1.1
686.24017	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	685.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59034	0.7
59.01392	7.2
69.42954	1.6
69.43336	1.6
71.01382	4.5
73.02937	1.5
78.95915	1.8
83.01415	0.8
85.02965	1.2
87.00893	1.7
89.02448	3.4
93.03439	1.6
97.02966	4.2
101.02444	3.1
109.02970	2.1
110.94086	0.7
113.02473	1.3
117.03453	1.9
119.03505	1.0
119.05049	1.8
120.99686	1.1
121.02972	4.3
121.09055	0.7
122.03763	4.5
132.02167	6.0
133.02948	1.4
133.05106	1.1
134.03755	27.0
135.04556	2.0
136.01627	0.7
137.02448	10.3
139.04030	16.5
147.04541	1.1
148.05269	1.3
149.02425	5.9
149.06064	5.0
150.03241	26.4
151.06128	3.0
153.01970	5.5
159.04379	0.8
160.01675	35.8
161.02269	1.0
164.04759	0.8
165.01945	52.2
165.05580	20.4
166.02281	2.1
170.99863	2.7
175.04015	44.5
176.04691	4.5
177.05432	0.9
178.02727	2.9
180.04283	1.5
183.02980	1.0
191.07169	5.7
193.05084	35.0
194.05388	1.7
195.06627	6.8
207.06645	1.9
214.14490	0.7
220.03728	1.4
235.06142	17.0
235.08536	0.8
246.97104	1.3
265.07196	1.4
282.08911	1.1
284.30383	0.7
295.08224	2.8
327.07370	1.9
337.09277	1.0
341.10236	4.0
343.15320	0.9
345.08279	24.6
346.08398	1.6
355.10449	1.3
371.11111	1.7
383.11575	1.2
389.12164	1.1
401.12381	0.7
459.15024	2.5
463.08847	0.8
489.16159	100.0
490.16568	5.2
523.22119	1.3
637.21729	1.1
685.24548	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	685.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.9
59.01384	100.0
69.14077	7.7
71.01389	37.0
73.02950	51.9
78.95483	2.7
78.95916	28.8
79.95732	2.0
83.01400	11.6
85.02958	4.3
87.00878	5.8
89.02456	31.2
101.02452	54.7
109.45208	1.6
113.02467	15.6
117.03471	5.8
119.03509	5.8
119.05038	1.7
121.03056	1.5
123.18718	1.6
125.02488	3.9
131.03522	19.3
133.02986	1.8
135.04582	3.2
143.03523	5.0
143.04979	7.5
146.08229	5.0
149.04572	30.2
153.03268	14.3
157.22845	1.5
161.04573	19.5
173.06107	2.6
183.04384	1.8
185.06090	2.9
191.05608	7.5
199.03783	1.8
201.05583	5.8
203.05661	4.4
206.92035	2.8
207.01221	39.0
208.01613	9.8
209.09489	27.5
209.11781	6.6
211.04057	2.7
213.05588	3.4
214.02724	6.0
218.10345	1.7
221.06694	26.5
228.04269	2.1
229.05025	6.1
239.03522	3.3
242.02260	9.9
256.03827	4.2
257.04559	70.3
258.04883	5.4
263.07736	3.9
269.04218	1.9
285.03860	1.6
299.05728	2.9
397.13492	5.7
415.14886	1.9
419.02637	2.8
419.07764	33.6
420.08218	4.7
641.15167	66.0
642.15363	11.6
689.05237	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	685.2717
Annotation	(+)-secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
59.01389	13.5
71.01387	7.7
82.92603	0.6
85.02966	1.8
87.00861	0.6
89.02461	8.2
97.03035	0.8
100.68611	0.7
101.02471	4.4
111.50002	0.7
113.02477	4.2
119.03522	4.3
131.03528	0.7
143.03604	0.8
179.05605	0.7
188.04910	0.7
189.05612	0.8
193.05113	0.8
214.42506	0.6
253.08801	1.0
255.10345	1.6
269.11963	1.5
271.13467	5.3
281.12000	0.8
285.11383	1.8
288.50916	0.8
299.09293	1.7
299.12994	3.8
301.10867	0.8
313.14502	1.3
315.12329	0.8
317.13953	14.6
318.14215	1.0
343.11804	1.6
343.15518	13.6
344.16052	1.0
345.13449	3.3
359.14862	1.4
360.15839	8.5
361.16595	100.0
362.16904	5.0
437.20816	0.9
505.20938	5.1
523.22162	0.9
685.27130	60.3
686.27551	4.8
699.53113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49924	0.5
51.87556	0.5
59.01399	1.9
60.10423	0.6
61.98848	1.1
69.30177	3.1
70.41299	0.5
71.01412	1.3
79.65340	0.5
81.03473	0.7
85.02943	0.6
93.46739	0.5
96.96026	1.6
101.02501	0.6
104.71730	0.5
113.02472	0.6
125.57967	0.6
133.02980	1.0
135.04597	1.2
137.02513	0.5
150.06941	0.9
161.02487	4.1
164.04810	0.9
179.03548	1.3
215.07112	0.9
229.08865	0.9
239.10632	0.6
247.09909	0.7
248.26698	0.6
255.13988	2.1
257.11957	2.7
259.09848	0.9
269.04553	0.9
273.14969	14.2
295.10019	0.6
299.13162	0.6
299.16537	2.3
301.14496	1.7
315.16019	1.0
317.13965	7.5
317.17676	4.9
343.15546	3.7
345.13416	1.4
359.15012	2.4
360.15387	1.5
361.16583	60.5
362.16888	3.1
384.92377	0.6
403.17661	1.3
438.78790	0.6
522.21423	0.8
523.21893	100.0
524.22241	6.2
543.50000	0.6
566.68011	0.6
623.19745	3.2
643.22339	0.6
685.27148	52.9
686.27441	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	685.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01123	3.4
59.01451	35.3
71.01473	0.6
80.05132	1.1
93.73457	0.4
94.06689	0.8
104.05185	0.6
105.05961	1.8
106.06632	5.8
107.03783	2.3
113.02557	0.6
118.10930	0.4
119.05183	1.4
120.08202	23.2
121.05428	0.9
122.05283	1.4
122.06134	37.8
130.06721	0.7
132.04688	1.6
134.05194	1.3
134.06137	38.9
135.04605	0.8
136.07843	1.4
146.06186	0.6
147.07022	0.4
148.07893	0.6
152.07166	3.0
158.02586	1.1
158.06175	0.7
160.04169	1.3
162.05705	0.7
164.07321	1.3
172.07780	0.5
174.05780	1.3
187.06540	0.5
190.03735	0.6
190.05118	2.3
194.08386	1.9
197.11021	0.6
200.07373	0.9
207.09418	0.5
210.08218	0.7
211.08932	0.5
211.12369	0.8
218.06241	0.5
221.11072	1.4
222.08192	0.5
223.08806	4.8
223.12415	0.6
224.09737	1.4
225.10527	2.0
227.11931	2.2
234.08174	0.6
235.08818	2.2
235.12579	1.6
236.09540	3.1
237.10307	4.6
237.14113	0.5
238.11156	2.8
239.11913	4.7
241.09897	0.5
241.13681	0.7
247.08846	0.7
247.12396	0.7
248.09540	0.6
249.06792	2.0
249.10310	6.1
250.07721	0.8
250.11035	0.9
251.08258	2.4
251.11920	10.6
251.14195	0.8
252.12720	0.8
253.13705	0.7
261.06696	0.5
261.10474	1.1
261.13962	0.6
262.07602	1.2
263.08322	4.7
263.11548	2.2
264.09045	7.7
264.12900	0.6
265.09958	4.9
265.13425	1.2
266.10703	0.5
267.11584	0.8
268.08664	0.4
269.13092	0.7
275.08435	0.7
276.09052	2.8
277.09833	9.7
277.12811	0.7
278.10541	4.9
279.11389	23.4
280.12112	3.7
281.12994	1.0
283.11166	0.9
284.03391	0.6
287.14102	2.5
290.10751	1.5
291.11432	10.1
291.14377	0.8
291.99646	0.5
292.08798	0.9
292.12122	4.8
293.09818	0.9
293.13120	1.7
294.14017	0.5
295.10965	1.9
295.14636	1.0
303.11823	0.5
305.09476	5.6
305.13080	3.0
306.10095	0.8
306.13614	1.4
307.10831	2.5
309.12531	0.8
311.14243	0.7
322.09637	0.9
323.10382	4.0
324.11154	2.5
326.13245	0.6
331.11224	0.5
336.11234	0.8
337.12048	3.0
340.14832	0.6
342.16342	1.8
343.16879	0.5
354.12488	1.0
355.13022	2.3
356.14063	1.8
356.17975	1.4
358.19397	1.5
360.17328	1.5
365.11420	2.3
367.13037	0.8
368.13965	0.6
369.14969	1.5
370.15652	3.8
371.16412	1.3
382.19452	1.1
383.12332	0.6
384.17163	11.2
385.18115	4.2
386.18933	4.4
396.13544	1.1
397.14038	1.4
398.15100	2.3
398.19623	2.7
399.19708	2.4
402.18365	1.7
410.15082	0.9
411.15839	1.1
412.16794	2.9
414.18341	1.2
425.17593	1.2
426.18332	9.5
427.19012	2.8
428.16302	1.0
430.17798	3.5
438.15045	0.6
443.18512	1.4
444.19348	5.6
445.19705	0.6
446.17792	1.0
452.16235	1.1
453.17075	1.7
456.15720	0.9
470.17719	2.4
471.17950	6.0
472.18973	0.8
486.20389	11.6
487.21158	1.6
488.18683	0.9
489.18954	0.8
490.19711	2.6
502.19687	3.3
503.20624	1.1
507.24078	1.0
530.11353	1.0
530.19403	21.1
531.20093	19.1
532.20300	0.7
549.25043	7.3
562.22009	19.9
563.22357	3.7
567.26080	3.2
593.24225	12.9
594.24701	0.8
609.27222	29.0
610.27484	2.4
611.25330	0.5
625.26978	2.4
626.26855	0.6
635.24847	0.9
653.26215	100.0
654.26556	8.1
670.08295	0.5
685.28827	22.4
686.29053	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	686.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98724	1.2
59.01389	8.7
61.98841	7.6
65.42707	1.2
69.16578	3.4
69.16986	4.6
71.01385	7.5
73.02955	1.3
78.95896	1.3
85.02965	9.6
85.03394	1.4
89.02452	4.4
95.01407	4.3
101.02453	1.6
101.49585	1.4
113.02480	19.7
115.57306	1.3
119.03513	1.3
132.02103	1.6
133.02969	27.3
135.04535	19.8
135.86868	1.7
151.04047	1.4
152.01108	1.6
161.02463	100.0
162.02835	3.2
179.03473	4.3
216.50285	1.3
224.26396	1.2
244.06459	1.4
375.14111	1.7
461.16769	5.2
623.19843	96.2
624.19891	7.3
686.26257	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	686.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.1
59.01376	4.3
61.98549	1.4
61.98837	16.0
71.01398	5.1
72.62926	1.1
74.45483	1.1
79.58046	0.9
85.02959	4.9
89.02426	2.0
95.01417	2.2
101.02489	1.6
113.02464	13.6
116.91272	0.9
123.04531	1.6
132.02235	1.3
133.02977	32.6
135.04526	13.5
153.05534	1.7
161.02458	100.0
162.02820	1.7
179.03453	1.7
216.99321	0.8
235.51671	1.1
351.86743	1.1
401.80267	1.0
461.16595	4.1
557.87372	1.0
573.72961	1.0
623.19836	61.0
624.20819	5.0
635.90509	0.9
661.93298	1.1
703.60303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10915	11.3
61.98845	18.7
70.00809	13.0
118.49453	14.3
128.57365	14.4
148.68665	12.9
231.32703	14.7
232.29082	14.8
233.27113	14.5
305.64395	14.6
325.18481	16.5
483.15125	31.8
542.16595	14.3
548.67316	15.1
557.18756	68.2
611.82642	16.0
643.22540	30.7
686.23578	100.0
687.23566	22.3
707.70294	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	687.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01716	2.4
61.98838	6.2
73.56055	1.0
87.14204	1.1
98.21909	3.2
132.98306	1.3
157.03584	5.2
159.01500	4.1
161.01117	1.6
174.99274	10.3
178.95102	4.2
178.98570	1.7
201.02568	63.2
202.02718	11.7
203.02310	11.0
217.00327	44.9
217.98763	1.1
218.00595	5.5
219.00493	2.9
219.97797	2.7
220.99655	6.2
221.27596	1.3
221.35480	1.2
317.04541	1.2
320.96222	4.7
462.97455	1.4
484.87964	1.3
626.88416	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	687.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45015	1.1
61.98835	1.5
65.99847	5.2
68.99807	1.9
69.48161	2.3
69.48556	2.6
81.45268	1.1
93.03478	3.3
96.00938	1.7
96.96061	1.2
98.02494	3.2
108.16086	1.1
110.02499	6.5
111.00909	2.2
117.03447	2.1
118.03011	2.4
120.00964	1.7
123.03273	3.4
133.02934	1.3
134.02501	3.8
134.03711	2.3
135.03281	4.0
135.04532	6.0
136.00401	3.8
136.98845	1.3
138.01970	14.2
139.02782	11.7
140.03549	15.7
151.02747	3.9
155.02309	1.4
161.02441	8.3
161.42610	1.1
166.01469	3.5
171.04509	1.7
173.02449	1.2
175.99875	2.3
182.06174	1.5
185.02525	1.1
192.03032	3.6
196.03963	1.2
201.01987	2.2
210.05846	1.4
226.05075	2.5
226.08783	2.4
228.06720	2.2
236.03592	1.2
238.04933	1.5
242.08244	38.3
243.08553	1.9
252.03119	1.8
254.04596	18.3
264.03064	3.1
268.06213	2.2
270.07733	100.0
271.08002	3.4
280.02582	8.1
280.06198	4.0
282.04080	1.7
300.05069	7.0
301.05786	7.2
302.06699	8.9
304.06046	1.3
318.07800	2.8
326.07880	1.6
342.07733	1.3
354.07565	1.9
370.07050	2.0
372.08783	13.6
384.08768	23.2
385.09082	1.4
386.10544	1.6
389.90027	1.1
398.06836	1.7
416.07788	59.7
417.08167	2.6
522.10822	1.3
669.15741	2.0
687.16077	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	687.163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91143	0.9
64.01924	1.7
65.99852	6.2
68.99806	1.4
70.91802	1.2
71.94054	1.1
83.01372	1.0
93.03484	1.1
96.00925	1.9
96.96004	1.0
98.01873	1.0
98.02489	4.1
106.02981	1.9
108.00896	1.0
109.02935	2.2
110.02489	2.7
117.03463	3.4
118.03085	1.3
120.00913	2.9
121.01722	1.7
122.02477	4.1
133.02971	2.0
134.00287	1.0
134.02487	2.3
134.03740	2.5
135.03426	1.2
135.04535	3.2
136.00394	4.0
138.01982	5.3
139.02794	5.3
140.03558	23.9
143.05034	7.4
150.02042	5.1
151.02771	2.1
152.03552	1.1
155.04979	1.3
158.06079	3.6
161.02457	12.9
165.00645	2.8
167.05077	2.2
175.99971	1.6
182.06068	3.6
184.04030	1.7
186.05634	3.8
192.02954	1.4
198.05634	2.0
202.56793	1.0
207.96722	1.0
208.04004	1.2
210.05603	4.4
211.04117	1.3
212.03375	1.2
225.04247	3.2
226.05106	8.7
227.05299	1.2
236.03539	2.0
238.05014	1.1
240.06638	0.9
240.47194	1.0
242.08266	10.7
254.04602	79.3
255.05064	4.7
256.06171	1.6
268.06161	5.2
269.06915	2.2
270.07764	14.0
280.02536	6.6
294.04166	2.3
301.05902	2.8
302.06723	30.8
306.04019	2.8
312.04956	1.1
384.08813	4.2
398.06607	7.9
416.07791	100.0
417.08142	9.6
547.83386	1.3
593.12073	1.6
669.14771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98855	1.0
65.00309	1.3
65.99839	0.8
68.99803	0.9
71.40184	0.9
81.03468	0.9
82.02988	1.0
84.95077	0.9
95.01454	1.3
96.96040	1.3
98.02489	2.5
100.12304	0.8
100.78492	0.9
101.58755	0.9
102.89667	0.9
108.02151	1.3
109.02944	1.2
110.02512	2.4
111.00905	1.8
117.03436	1.5
120.00906	1.4
122.02496	2.4
123.03255	3.4
123.04558	1.1
124.04058	0.9
125.02482	1.0
134.02509	4.0
135.03276	6.1
135.04422	1.5
136.00420	2.0
137.02489	4.7
138.01981	5.0
138.03133	1.5
140.03539	7.0
148.04027	1.0
151.02765	3.5
155.03468	0.9
161.02458	6.7
165.52884	0.8
166.01469	8.9
171.04488	2.3
173.06061	1.0
192.03047	2.7
194.04604	1.1
197.04568	2.5
206.56418	0.9
219.05370	1.0
224.07231	1.3
226.08661	2.1
228.06874	1.8
240.06447	1.1
242.08238	42.1
243.06494	2.0
243.08669	1.5
265.08673	1.1
268.06281	4.2
269.04379	1.0
270.07730	100.0
271.08072	3.0
278.06647	6.6
286.68835	1.0
296.05673	15.2
302.06720	3.2
302.97031	0.9
312.08658	1.9
328.04602	3.9
347.48993	1.0
419.39084	0.9
447.23044	1.0
474.11783	2.7
493.12402	2.4
508.12396	1.1
525.15033	7.9
637.14581	1.4
655.14789	1.4
669.17511	1.3
670.15497	5.0
687.18201	23.1
688.18640	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.5
65.00305	2.4
67.01889	2.2
69.19440	5.7
72.46870	1.4
81.03452	2.7
82.02994	1.7
93.03379	1.7
94.02986	2.2
96.00909	2.4
96.04543	3.3
96.96030	1.8
97.02338	1.7
98.02488	24.1
98.55388	1.4
109.02927	2.5
110.02466	5.3
111.00904	3.3
117.03477	6.3
120.00910	3.1
122.02489	9.8
123.00964	1.8
123.04578	1.9
124.00378	2.4
124.04067	3.2
125.02423	2.9
133.02940	4.5
135.03288	1.3
135.04517	5.8
136.00443	2.6
136.03961	1.8
138.01985	27.5
138.03036	1.6
140.03552	100.0
145.06573	4.2
150.01947	2.1
151.03992	1.8
152.03555	2.0
159.04510	4.3
161.02463	46.1
163.99884	2.4
164.03535	3.4
165.00668	1.6
166.01469	81.7
167.01898	1.5
171.04504	5.0
179.03520	4.3
180.02968	2.5
192.02992	2.1
197.04509	13.1
197.84789	1.6
209.08176	2.6
218.00850	2.6
224.07230	1.7
228.06685	1.7
240.06673	3.5
242.08240	5.7
268.06204	6.5
269.04401	2.2
270.07727	16.4
270.10617	2.4
271.06311	1.5
280.06052	1.6
284.05692	1.8
294.07690	2.5
296.05652	5.7
302.06735	51.8
303.08826	2.3
308.09302	3.3
312.08804	4.6
326.10275	3.1
328.04626	18.2
335.67972	1.5
340.08313	2.0
350.06906	2.0
352.08090	1.7
437.13330	2.5
448.13791	4.1
474.11938	3.2
475.11508	3.4
478.14835	1.8
493.12701	3.6
508.12372	11.1
522.11517	4.2
525.15149	34.1
563.18311	1.8
637.14948	5.2
655.16541	2.7
670.15314	7.5
687.18384	75.7
688.18762	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.0
71.01387	1.1
89.02499	0.5
94.06635	2.1
94.07182	0.4
94.09095	0.4
94.98088	0.6
96.96014	0.8
106.06635	0.5
113.02474	0.7
119.05027	0.7
119.67417	0.4
120.04530	0.5
120.99676	100.0
122.06141	11.7
134.06184	0.8
145.03020	1.2
151.04070	0.6
174.05649	0.7
211.04510	0.7
213.10439	1.7
215.12047	0.5
239.11940	1.3
241.13527	1.1
257.04681	1.1
265.09918	1.6
278.07233	0.5
278.10510	0.6
279.07907	0.9
281.09308	0.9
285.12488	3.2
293.09384	1.7
293.12842	0.7
294.10226	0.6
295.10965	1.0
307.10757	0.9
325.12085	1.1
343.13354	0.5
358.15799	0.8
384.13547	1.2
400.16672	2.2
412.16809	1.1
428.15994	0.5
446.17377	0.9
456.15775	1.4
474.16708	1.6
518.15674	1.8
524.07440	0.5
535.23871	1.9
561.21405	1.1
579.22729	6.2
583.26917	0.6
600.23950	0.5
605.20642	0.9
611.25439	0.8
623.21606	9.4
627.33752	0.9
655.24231	10.5
687.27222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.0
64.24476	1.2
65.00328	1.6
65.99871	2.1
68.99836	1.9
71.01402	1.3
90.98601	1.5
96.96012	1.6
102.05611	5.6
110.02480	2.1
119.05031	2.3
120.00911	1.1
122.02471	1.2
126.67422	1.4
128.03572	1.3
128.46642	1.1
134.02522	1.4
136.00407	4.3
138.02003	1.3
140.03568	1.3
150.01945	1.3
152.03580	3.2
154.99834	3.1
160.04118	1.5
162.01949	2.3
163.99921	1.9
165.00694	1.6
171.04510	8.8
173.06030	2.0
176.03535	7.6
180.03067	1.6
186.01982	2.6
194.04599	2.0
204.03067	5.9
209.21306	1.1
211.07936	1.1
214.24814	1.2
216.08209	1.5
218.04590	2.0
220.02585	2.3
222.04089	2.7
225.05954	1.6
238.08412	1.3
242.08179	2.2
243.06621	2.0
244.07709	1.5
246.03998	5.1
248.02139	1.5
253.81804	1.3
255.06696	3.5
266.08203	2.5
268.06177	6.4
269.06970	2.0
270.07764	4.7
272.01978	6.6
272.07037	1.4
276.06595	1.4
278.08273	1.5
286.07352	2.5
287.03940	1.9
288.06705	2.2
296.05777	1.3
305.12537	2.0
306.07800	2.3
308.09207	3.2
318.07755	2.6
320.09241	1.7
332.09506	1.8
334.07162	4.5
344.05679	4.0
348.08566	6.2
350.10468	2.0
362.06744	5.1
375.14322	1.4
376.08279	100.0
377.08524	6.1
380.07721	2.1
394.09341	84.7
395.09680	5.3
463.16132	4.9
477.17853	2.8
495.19031	5.2
507.15311	1.8
542.14661	13.2
567.14777	2.2
687.21936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38835	1.8
59.01377	14.6
59.52922	1.7
65.00314	2.6
70.17033	4.2
71.01380	6.6
73.02942	2.4
80.05076	5.8
83.01389	2.2
85.02973	1.9
89.02445	3.7
93.02339	1.9
93.03464	2.8
93.19801	2.0
94.06641	16.6
96.95985	4.3
101.02448	2.6
104.05054	3.4
106.06637	2.7
113.02441	3.6
113.06050	2.0
114.57803	2.2
115.03991	2.8
117.03485	4.3
119.05032	6.8
120.99667	27.7
122.06133	100.0
123.04467	2.3
132.04584	2.9
134.06145	5.1
135.04530	9.0
151.04036	7.1
153.01866	2.2
160.04048	2.8
160.06462	3.6
174.05600	5.2
180.06697	2.3
186.03307	2.4
186.05612	3.0
188.07208	2.5
190.05157	3.3
194.25853	2.1
211.08780	2.6
213.10345	13.1
215.11868	4.2
225.10219	2.9
235.08784	3.0
237.10289	3.5
239.11899	14.5
241.09886	2.2
241.13448	8.5
242.02229	4.7
249.06783	3.5
250.07492	3.8
251.09093	10.9
251.11688	4.7
253.09819	2.6
255.02864	3.0
257.04581	22.0
265.09833	9.5
266.10663	2.9
267.11377	4.0
279.07932	5.7
279.11298	4.1
281.09402	10.2
283.02737	3.1
284.03302	3.5
285.03998	5.6
285.12460	24.5
291.07913	2.3
291.11426	2.8
293.09366	12.9
293.12900	5.5
294.10049	3.6
295.10898	7.8
298.37079	2.2
300.02631	2.4
307.10916	6.0
321.08701	3.0
325.11902	5.1
353.11111	2.2
356.14114	3.1
358.15564	7.7
360.17496	2.2
369.10846	3.3
370.11826	4.1
372.17340	4.4
384.13525	9.0
385.13934	2.5
393.05991	3.5
396.13660	3.0
398.15234	4.8
400.16687	17.1
401.06735	6.7
403.04544	18.8
412.16599	13.1
414.14243	3.3
419.07843	20.6
428.16095	8.8
430.17627	3.0
445.05728	3.8
446.17258	4.1
456.15588	6.5
474.16696	9.1
479.21341	3.6
493.22641	3.5
518.15851	13.0
533.22076	4.1
535.23822	16.2
537.21191	2.8
550.18774	3.2
551.23077	6.3
561.21777	2.9
579.22406	36.2
580.22876	4.1
582.21539	2.6
595.21625	2.8
605.20276	6.6
609.24652	2.5
611.25305	10.8
623.21527	76.8
624.22351	3.8
655.24182	87.2
656.24701	9.0
687.27100	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	687.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67928	0.8
56.31754	0.8
59.01382	6.7
70.23449	1.0
71.01383	3.6
73.02950	1.0
84.97551	0.7
85.02943	1.8
87.00885	0.9
89.02458	1.8
91.67806	0.8
95.01375	0.9
96.96026	1.4
101.02447	2.7
113.02435	2.8
115.19192	0.7
116.52602	0.8
133.02950	1.0
148.15070	0.8
149.06116	0.9
215.84024	0.8
217.04945	1.3
218.05812	1.7
221.06592	0.8
234.99130	0.8
261.07730	3.9
262.08438	1.9
298.05405	0.8
300.94495	0.8
301.14468	6.1
304.74219	0.8
315.12424	1.1
319.15417	0.9
327.16095	2.2
331.15497	3.8
345.17114	20.0
363.18039	11.8
439.06888	0.9
498.79156	0.9
507.22458	1.2
525.23389	3.9
687.28760	100.0
688.29175	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	687.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66985	0.2
59.01385	1.2
71.01389	0.9
71.16477	0.2
85.02976	0.4
89.02430	0.3
98.21856	0.6
101.02476	0.3
103.72471	0.2
109.37726	0.2
146.96733	0.2
169.35797	0.2
177.37830	0.2
182.18495	0.2
217.05064	0.7
218.05829	0.4
219.68123	0.2
249.07695	0.5
261.07718	1.4
262.08469	0.8
263.09247	0.3
269.11877	0.2
275.09277	0.2
283.19040	0.2
285.11444	0.5
286.12064	0.8
287.12866	0.7
300.13980	0.3
301.14447	3.0
302.15073	0.2
311.07602	0.3
313.14322	0.5
315.12369	0.4
319.15427	0.7
327.16000	1.5
329.13882	0.7
330.14780	0.5
331.15536	4.0
343.15274	0.2
345.17075	10.3
346.17551	0.5
363.18237	1.6
405.18997	0.7
480.31696	0.2
481.20905	0.9
496.22293	0.2
507.22220	0.6
509.20166	0.8
524.22693	0.6
525.23438	100.0
526.15668	0.3
526.23730	7.8
687.28735	15.0
688.29047	1.7
709.99658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.0
61.06115	0.8
65.62675	0.9
71.01381	6.1
73.02934	1.0
76.15864	0.8
83.01359	1.2
85.02962	1.3
89.02465	3.6
94.98874	0.9
98.21811	1.8
101.02467	2.9
107.01400	1.9
108.02214	4.1
109.02983	3.5
111.00900	1.0
113.02463	2.5
123.04529	6.0
136.01660	9.9
146.03798	2.2
151.00432	3.3
151.04005	11.3
152.01103	4.4
153.02002	1.6
159.04582	2.0
160.05328	2.2
166.02805	3.4
167.03494	19.5
181.05098	1.5
194.02286	1.2
209.04556	14.6
218.05885	1.0
239.05748	2.7
267.06665	7.2
269.06696	7.8
282.08942	6.5
285.11411	2.3
296.05402	1.2
297.11349	7.4
301.14581	3.1
311.07764	27.9
312.08044	2.2
315.12524	1.6
329.13867	6.0
331.11920	2.3
331.15594	2.5
345.13293	2.0
345.16943	7.7
357.13516	1.9
363.18314	2.3
463.12515	4.5
481.20813	1.3
495.22601	1.5
509.20352	15.9
524.22668	13.8
525.23389	50.6
526.24286	3.7
544.95728	1.1
657.22498	4.3
687.29120	100.0
688.29370	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	687.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.5
66.04104	0.5
71.01389	2.9
71.39888	0.5
73.02926	0.7
76.61497	0.6
85.02945	0.7
89.02461	2.1
93.47612	0.6
96.96011	0.9
101.02464	2.2
111.00913	0.5
113.02425	1.0
123.04520	0.9
135.04515	0.6
136.01704	1.3
151.04010	1.4
161.02473	0.6
167.03482	1.9
201.05618	0.8
203.07228	0.7
204.04338	0.8
213.94217	0.6
230.05824	1.2
231.06645	1.6
241.04964	0.5
248.06758	0.6
263.09100	1.0
267.06732	0.8
275.09305	2.2
282.08655	0.7
285.11267	1.8
287.12860	2.5
297.11319	1.3
311.07858	4.5
319.15698	0.8
329.13885	2.1
331.15561	4.9
345.17029	2.2
361.16595	4.1
363.18265	6.8
407.83521	0.6
481.20941	1.5
495.22183	1.5
509.12869	0.9
509.20374	18.1
510.20621	1.8
523.21906	1.4
524.22675	13.5
525.23480	37.9
526.23926	3.4
687.28766	100.0
688.29156	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	687.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
59.01385	8.3
61.98834	1.5
67.01880	1.7
69.46058	4.7
71.01374	5.2
73.02930	1.4
84.18775	1.1
85.02972	2.4
88.98807	2.3
89.02448	3.4
95.01405	1.2
96.96018	4.2
98.22639	2.7
101.02455	3.4
108.33864	1.1
111.00906	5.5
113.02457	3.7
119.05061	3.7
137.02473	2.0
143.05013	2.5
161.02475	2.4
161.04529	1.1
165.05594	1.5
169.06680	1.8
171.08083	1.3
201.09152	1.3
231.10310	2.6
241.05077	2.4
242.13225	3.6
243.10245	1.6
255.13728	2.4
257.04602	4.3
271.17081	32.1
272.17319	1.7
283.17017	14.6
285.14883	3.4
299.16568	8.8
300.17358	3.8
301.03461	1.8
301.18124	17.1
311.07947	1.2
315.16031	4.8
319.15765	1.3
327.16086	3.4
345.17093	100.0
346.17514	5.4
362.17169	1.6
363.18195	14.0
387.18076	8.6
465.83755	1.1
507.22348	22.9
508.22009	2.0
525.23462	45.3
526.23901	4.2
583.26587	1.6
601.26501	1.7
643.29236	2.9
663.05487	1.2
687.28790	86.9
688.29242	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	687.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
59.01385	8.3
61.98834	1.5
67.01880	1.7
69.46058	4.7
71.01374	5.2
73.02930	1.4
84.18775	1.1
85.02972	2.4
88.98807	2.3
89.02448	3.4
95.01405	1.2
96.96018	4.2
98.22639	2.7
101.02455	3.4
108.33864	1.1
111.00906	5.5
113.02457	3.7
119.05061	3.7
137.02473	2.0
143.05013	2.5
161.02475	2.4
161.04529	1.1
165.05594	1.5
169.06680	1.8
171.08083	1.3
201.09152	1.3
231.10310	2.6
241.05077	2.4
242.13225	3.6
243.10245	1.6
255.13728	2.4
257.04602	4.3
271.17081	32.1
272.17319	1.7
283.17017	14.6
285.14883	3.4
299.16568	8.8
300.17358	3.8
301.03461	1.8
301.18124	17.1
311.07947	1.2
315.16031	4.8
319.15765	1.3
327.16086	3.4
345.17093	100.0
346.17514	5.4
362.17169	1.6
363.18195	14.0
387.18076	8.6
465.83755	1.1
507.22348	22.9
508.22009	2.0
525.23462	45.3
526.23901	4.2
583.26587	1.6
601.26501	1.7
643.29236	2.9
663.05487	1.2
687.28790	86.9
688.29242	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	688.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20791	2.9
62.09982	2.8
65.00336	6.7
68.99814	8.1
69.36362	12.2
69.36757	5.1
82.02989	7.0
83.01417	5.1
84.04554	7.0
95.01406	10.3
96.04549	21.8
97.01700	2.9
98.21937	4.3
107.05051	4.7
109.02956	6.2
111.00896	16.1
120.04533	6.1
121.02980	5.7
122.06097	5.2
123.00928	7.0
124.00529	3.9
124.01681	4.6
124.04046	9.1
125.01167	9.1
127.05537	3.4
128.03549	46.2
134.06079	3.1
135.00883	10.2
135.04510	2.8
136.98801	8.1
137.02455	12.6
139.00262	3.1
147.00935	3.7
148.04021	4.8
150.05692	6.7
151.00288	3.6
152.03540	5.9
153.77249	3.7
159.00992	3.9
161.02393	3.9
161.06065	3.7
162.05595	3.2
163.00377	9.1
163.04053	3.7
164.98334	4.2
166.05054	11.6
168.03052	6.4
168.06660	6.7
169.06677	3.8
171.03177	4.4
171.04517	26.0
173.06070	24.2
174.05650	4.2
176.03499	3.0
176.07166	3.5
178.05083	9.8
190.05112	3.5
194.04587	39.9
202.05098	10.3
202.99854	5.2
204.06654	25.9
206.04552	10.7
212.05608	11.6
220.06171	18.7
225.05562	7.6
230.04482	6.7
230.99239	4.4
237.05782	3.0
238.03629	38.8
239.07162	4.8
241.05008	18.8
243.06653	100.0
244.06317	10.0
245.06895	3.8
247.04883	10.5
248.05647	30.6
249.05659	4.4
250.06255	4.0
251.07146	4.7
260.05450	4.1
263.07187	10.1
267.06644	15.0
269.04437	7.3
272.05838	5.5
288.04874	4.1
291.06668	17.4
292.04648	6.8
293.04907	4.0
295.06033	9.7
307.06082	9.9
309.07501	4.0
322.04721	5.4
323.05637	12.3
332.12973	12.4
333.10049	4.7
334.10855	9.5
335.05716	51.5
336.06204	5.1
358.10803	8.5
374.10193	3.3
375.10971	12.5
376.11975	36.3
377.12106	4.0
378.09930	5.0
384.09375	3.0
402.09824	12.5
404.02679	5.5
404.07739	3.1
419.10007	10.6
420.10883	19.5
438.11719	6.8
446.08865	9.8
462.10559	7.9
464.09747	41.0
481.10153	7.3
485.12372	5.6
490.07776	5.4
501.54489	4.0
508.08957	16.6
644.17035	18.0
663.98053	3.8
670.15723	12.9
687.54175	3.4
688.16632	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	688.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14889	4.0
61.98828	8.0
65.00315	11.7
68.99829	5.1
69.16358	22.7
82.02985	6.4
82.35477	3.7
83.01374	5.9
83.11122	4.0
84.04557	8.8
84.97200	4.2
95.01396	7.9
96.04567	22.4
103.24477	4.4
111.00903	24.6
117.03471	3.9
121.02953	5.9
123.00861	4.4
124.03995	6.7
125.01221	7.2
128.03557	39.9
135.00922	7.7
136.98796	5.6
137.02464	8.9
148.04005	6.5
150.05687	6.7
152.03539	5.8
162.05650	4.9
163.00415	9.6
166.05128	11.9
166.16293	4.2
168.03098	6.3
168.06686	10.2
169.06609	5.0
171.04539	21.6
173.06102	19.5
178.05147	7.3
192.06929	4.1
194.04561	39.7
202.05069	9.2
202.99942	5.0
204.06587	24.7
206.04630	11.4
212.05414	4.7
218.04744	4.9
220.06146	12.3
223.07602	6.2
228.06654	6.6
230.04622	6.3
238.03604	53.5
239.07181	5.2
241.05159	21.4
243.06647	100.0
244.06470	5.5
246.04153	5.3
247.04834	9.8
248.05685	34.8
251.07103	4.8
263.07224	5.3
267.06622	12.2
269.04593	12.7
269.08179	4.5
288.05191	5.6
291.06610	17.3
292.04681	12.8
294.05515	4.8
295.06094	17.4
301.21786	4.6
322.04468	5.3
323.05640	17.7
332.12894	12.5
334.10791	13.0
335.05621	45.7
358.10870	6.2
375.10934	10.4
376.11877	30.9
402.09811	9.6
419.10022	6.8
420.11026	16.9
462.10373	4.7
464.09927	48.0
481.10245	8.7
490.08057	11.5
508.09183	19.7
597.71692	4.8
644.17804	15.0
645.17450	6.1
670.15717	13.5
688.17493	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	688.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04435	3.4
59.01386	11.6
61.71381	3.1
65.00330	17.0
68.99822	9.9
69.03444	5.9
69.42789	9.3
69.43180	6.1
71.01379	4.6
81.03488	6.4
82.03009	7.1
83.01412	8.0
84.04549	7.8
89.02486	3.8
93.03479	5.4
95.01408	14.7
96.04569	24.3
96.96045	3.9
97.02953	8.3
107.05022	3.5
108.02216	5.2
109.02976	6.2
110.00105	6.7
110.02497	4.2
111.00886	24.7
113.02451	4.3
115.41883	3.0
121.02914	4.7
122.06150	4.0
123.00915	8.3
124.00404	5.4
124.01646	5.0
124.04038	8.9
125.01207	10.0
126.01959	7.5
127.82119	3.2
128.03552	45.3
132.04645	3.6
133.02945	4.1
135.00888	13.5
136.98785	8.7
137.02457	15.1
139.00386	7.4
139.04021	4.9
140.03525	4.1
145.02968	6.6
145.06561	6.4
148.04051	6.3
152.03534	10.5
157.06541	4.3
159.00899	4.8
161.02457	6.2
162.05635	7.7
163.00359	15.9
164.98302	16.1
166.05110	14.9
168.03128	7.1
168.06718	5.3
169.06606	5.5
171.04527	23.3
173.06068	23.0
176.01134	6.4
176.03523	5.6
176.07193	4.6
178.05168	7.2
186.05634	3.5
187.00250	3.8
192.03030	5.1
192.06746	5.4
194.04620	49.3
195.08173	4.1
202.05127	12.0
202.99867	5.3
203.33054	3.5
204.06670	23.0
205.01468	3.8
206.04614	15.5
209.06026	3.4
212.05565	4.8
213.05629	5.0
218.04552	4.8
220.06233	17.0
221.06334	5.5
223.04903	4.7
223.07646	5.6
225.05623	6.0
228.06747	4.9
230.04564	9.7
230.99272	5.7
235.07559	5.3
238.03603	46.7
239.07149	8.1
241.05037	19.3
243.06641	100.0
244.06267	7.5
246.04167	5.7
247.04941	11.4
248.05632	29.6
251.07190	5.2
263.07370	9.2
264.01743	3.4
265.05594	3.6
267.06589	11.2
269.04623	26.0
270.04865	4.3
272.05679	9.2
281.08304	3.9
288.05084	4.4
289.07236	9.4
291.06570	25.6
292.04584	14.1
295.06064	12.2
307.06030	6.6
316.04587	4.7
322.05057	7.1
323.05511	13.4
330.11301	4.3
332.13058	11.5
333.10321	5.7
334.10852	10.7
335.05609	53.0
348.12375	5.6
358.10815	8.1
375.11041	11.6
376.11942	44.4
377.08548	5.5
378.09814	7.3
394.09048	4.2
402.09930	12.4
419.10095	9.1
420.10825	27.5
437.10910	3.7
446.08899	7.2
462.10385	6.0
464.09866	60.9
465.10117	5.5
481.10193	7.2
485.12637	5.0
490.07858	5.9
496.66623	4.0
506.01199	3.5
508.08942	27.3
529.15344	3.6
644.18018	15.4
670.15790	10.4
688.16962	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	689.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.2
65.00330	2.7
65.99837	2.0
83.74982	1.3
84.04509	1.1
85.02963	1.4
93.37344	1.2
96.00914	1.1
96.96017	2.6
98.02483	1.9
107.04977	1.6
110.02477	4.3
111.00896	1.5
122.02505	1.3
123.03252	4.2
123.04501	3.1
125.02495	2.2
129.81975	1.4
134.02495	5.3
135.03242	4.6
136.00391	3.2
138.02026	2.9
139.00441	1.4
140.03548	2.7
150.05560	1.7
151.02779	5.0
151.04008	9.2
153.01938	22.7
154.99863	2.4
155.02199	1.8
163.99904	2.1
166.01469	3.9
166.05161	1.5
177.01936	2.2
192.03044	2.8
194.04507	11.4
199.19034	1.4
210.04102	5.3
212.05635	9.9
226.08643	2.7
228.06670	2.2
242.05765	2.3
242.08243	38.2
243.08842	1.7
255.06609	1.4
268.06143	4.9
269.04459	2.7
270.07724	100.0
271.08063	4.5
297.06064	1.7
353.11508	3.0
465.13046	5.1
523.11786	3.7
563.25775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68908	1.9
59.01384	35.0
59.62559	1.8
71.01388	42.7
73.02959	2.7
78.91880	3.9
79.95760	6.5
80.91691	52.7
81.95329	2.7
82.15858	2.1
85.02958	31.7
87.00895	6.7
89.02444	18.6
95.01408	8.5
96.96032	23.1
98.95607	9.9
99.00887	3.0
101.02441	11.9
113.02467	57.1
119.03511	2.5
122.03754	2.8
125.02385	1.9
131.03493	5.1
134.03796	6.2
135.04538	2.8
137.06129	5.6
139.00365	3.3
141.01726	2.1
149.06078	3.9
152.04831	6.3
153.01707	5.1
161.04584	4.8
161.59509	2.0
162.03111	1.8
165.05562	7.0
167.07166	21.9
175.02507	2.1
179.07159	3.2
189.05443	3.2
191.05630	2.6
205.04869	1.9
207.06416	5.7
213.03793	7.5
214.51303	2.0
231.06630	2.2
234.03905	2.7
245.08009	2.3
249.07538	4.1
277.06015	1.8
285.04095	7.4
285.07309	4.3
318.07141	2.6
328.84073	1.9
333.09625	26.2
334.09518	2.8
351.10614	24.7
429.96198	2.1
447.09393	2.7
475.18140	4.2
497.16470	35.3
509.23987	2.9
527.25092	2.2
607.22534	82.0
608.22876	8.8
629.20319	100.0
630.20593	10.8
689.18854	39.5
689.29883	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	689.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01945	1.6
59.01388	23.4
59.29620	1.7
61.01200	2.2
61.70830	1.7
61.98839	2.2
71.01379	8.1
72.97537	5.4
73.02953	2.4
73.98329	21.3
74.99090	4.6
75.00859	2.0
83.01380	2.0
83.05010	1.5
84.02203	2.2
85.02961	6.1
87.00878	44.1
89.00679	100.0
90.93237	1.7
96.96006	8.6
101.02428	3.8
111.99622	1.5
113.02458	4.0
115.02247	60.4
117.03487	1.7
119.05042	2.2
133.02975	2.8
141.03735	1.7
149.04379	2.7
161.02495	3.2
177.03777	2.4
199.11250	3.0
205.05080	2.1
210.57312	1.7
233.10019	2.5
234.31882	1.7
249.06187	53.5
285.04068	20.2
289.14468	6.3
339.07486	15.9
343.13782	18.9
361.14783	22.3
379.15869	8.2
445.85440	1.7
464.01755	1.7
593.20361	4.5
609.12390	9.8
611.21655	30.0
612.22345	2.3
629.22809	44.3
630.22748	2.2
689.12787	2.7
689.24304	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	689.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.3
59.01385	25.6
69.53049	4.6
71.01386	23.7
72.99313	3.9
73.02950	6.2
75.00874	9.5
83.01408	4.5
85.02961	16.8
87.00896	7.1
89.02451	6.1
96.96024	4.1
97.02955	1.5
98.21902	1.5
99.00901	3.8
101.02475	10.4
111.00882	1.7
113.02464	15.5
119.03524	3.5
119.05030	3.0
125.02419	1.4
133.02956	9.7
135.04549	4.0
149.06085	1.9
161.02463	8.3
161.04594	3.3
164.04951	1.5
166.99992	1.5
175.00357	1.6
175.02553	1.9
188.91389	1.5
190.02771	2.9
199.04140	1.8
205.05101	3.4
257.04572	5.5
301.03525	8.5
303.19742	3.7
321.20856	2.6
369.09885	4.2
375.64124	1.4
387.10944	4.0
397.18506	1.7
399.09122	2.8
419.04330	3.9
435.07520	7.5
441.03745	4.6
481.06805	6.7
483.25790	2.2
484.07361	2.2
495.16959	1.6
627.30469	6.2
645.31226	3.1
671.29193	4.2
689.30383	100.0
690.30688	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	689.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54369	0.7
54.19405	0.8
55.01880	1.5
57.03437	3.7
59.01386	15.5
63.56045	0.8
71.01388	22.8
72.99303	4.8
73.02961	4.5
75.00877	13.0
82.37723	0.8
82.95420	1.2
83.01405	2.3
85.02471	1.5
85.02962	24.0
86.44237	0.9
87.00904	5.2
89.02449	4.9
95.01380	2.2
99.00904	6.1
101.02467	5.6
103.00398	0.8
106.85916	0.8
112.01714	0.9
113.01726	1.3
113.02464	21.3
115.00381	2.1
117.01891	1.2
129.01904	1.2
161.04610	1.2
193.03477	0.9
213.78839	0.7
236.07019	0.8
272.60535	0.8
289.29163	0.9
329.81183	0.8
493.27841	0.9
645.30804	1.1
689.30292	100.0
690.31024	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	689.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	2.9
59.01387	35.1
61.98838	3.6
62.96698	2.0
65.78688	1.9
69.44700	10.1
69.76662	2.2
71.01394	26.1
72.99327	6.0
73.02978	5.4
73.98337	3.8
75.00898	10.1
82.95476	2.3
83.01432	3.8
85.02958	24.1
87.00887	13.7
89.00710	11.2
89.02489	7.7
93.33985	2.4
95.01422	2.3
99.00926	6.1
101.02488	8.6
102.98655	3.7
111.00914	2.1
113.02480	18.9
115.02256	12.6
119.05054	2.6
120.76257	2.2
120.99689	15.1
121.12412	2.3
125.02467	3.2
249.06245	12.9
285.04376	3.2
293.49948	2.4
343.13931	3.7
361.15097	3.8
379.15952	5.4
464.27353	2.5
645.30109	2.3
689.30859	100.0
690.31116	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	689.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.0
69.71291	10.3
71.01369	18.5
79.38263	11.2
79.71414	10.2
81.86356	9.4
89.02452	28.6
118.28244	11.2
125.02451	12.1
142.25337	9.4
175.72322	11.2
179.69946	11.8
221.85370	12.4
255.23335	50.8
315.54874	12.9
397.13513	100.0
415.14655	35.3
689.35602	63.8
698.79364	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	689.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.0
61.98835	3.3
65.95990	2.1
66.95924	3.6
69.11049	13.1
71.01398	7.8
72.99331	2.7
79.52740	2.1
80.91714	2.8
82.32363	2.5
82.95423	100.0
84.00925	7.5
89.02444	6.2
95.73163	2.4
98.22691	4.8
101.02462	8.6
117.54011	2.7
127.24776	2.7
189.85989	2.2
235.08243	2.4
255.23312	22.1
321.75507	2.6
325.18436	10.2
347.30753	2.6
389.37982	2.5
397.08609	4.4
397.13562	52.3
398.13895	2.6
415.14670	13.8
653.37598	5.7
689.35431	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.26526	0.4
60.01724	0.5
61.98842	2.1
67.01470	0.4
71.42769	0.7
75.00896	2.4
89.02480	1.0
101.02471	1.1
103.00399	2.6
103.01509	64.0
113.02450	0.8
119.03542	0.5
119.05086	1.8
122.02528	0.9
135.04555	2.3
232.57048	0.5
240.73752	0.5
288.73279	0.5
328.67654	0.5
712.22430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34453	48.3
94.57664	45.4
98.21792	97.9
116.97256	62.2
117.05651	48.8
121.02916	45.8
122.02470	100.0
135.04446	49.1
149.67726	44.3
176.66528	54.4
384.82376	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27745	0.5
59.01384	0.6
64.64679	0.5
65.00320	1.4
65.91064	0.6
69.13236	4.0
72.34862	0.5
82.00605	1.1
89.80394	0.6
91.01916	0.9
96.96013	3.2
101.71802	0.6
108.02185	1.6
110.00111	13.0
117.03461	2.9
119.05003	2.9
123.04516	1.8
125.02496	0.8
134.38628	0.6
137.99582	6.7
152.01228	1.1
153.01935	4.1
161.02441	4.3
164.01218	0.8
165.99077	14.5
167.03535	3.7
175.18683	0.6
181.01396	1.3
181.05028	1.0
183.04477	0.8
185.02478	0.7
187.03911	0.6
200.04756	1.1
206.26817	0.6
210.75270	0.6
212.04791	2.3
214.02695	2.3
227.03513	0.7
240.04460	1.5
241.00275	0.8
249.77234	0.6
255.02972	1.0
267.02924	0.9
271.06204	0.7
283.02399	3.5
284.03281	62.9
285.03662	3.0
298.04984	1.4
299.05615	100.0
300.05966	4.5
311.07755	2.4
320.14929	0.7
352.23550	0.6
391.03452	3.4
461.11069	1.3
611.14087	37.7
612.14423	2.2
690.29486	1.0
691.09808	18.2
692.10120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27745	0.5
59.01384	0.6
64.64679	0.5
65.00320	1.4
65.91064	0.6
69.13236	4.0
72.34862	0.5
82.00605	1.1
89.80394	0.6
91.01916	0.9
96.96013	3.2
101.71802	0.6
108.02185	1.6
110.00111	13.0
117.03461	2.9
119.05003	2.9
123.04516	1.8
125.02496	0.8
134.38628	0.6
137.99582	6.7
152.01228	1.1
153.01935	4.1
161.02441	4.3
164.01218	0.8
165.99077	14.5
167.03535	3.7
175.18683	0.6
181.01396	1.3
181.05028	1.0
183.04477	0.8
185.02478	0.7
187.03911	0.6
200.04756	1.1
206.26817	0.6
210.75270	0.6
212.04791	2.3
214.02695	2.3
227.03513	0.7
240.04460	1.5
241.00275	0.8
249.77234	0.6
255.02972	1.0
267.02924	0.9
271.06204	0.7
283.02399	3.5
284.03281	62.9
285.03662	3.0
298.04984	1.4
299.05615	100.0
300.05966	4.5
311.07755	2.4
320.14929	0.7
352.23550	0.6
391.03452	3.4
461.11069	1.3
611.14087	37.7
612.14423	2.2
690.29486	1.0
691.09808	18.2
692.10120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67237	0.4
54.58620	0.6
56.24076	0.5
59.01378	1.1
63.10619	0.6
65.01539	0.5
69.12830	3.3
69.28061	0.5
71.01389	1.1
75.00877	1.4
85.02954	1.4
93.03469	0.5
98.21870	0.8
109.02963	7.6
111.63604	0.5
117.07075	0.6
119.05060	0.9
133.02971	23.9
134.03729	0.5
135.04555	0.9
136.74049	0.5
137.02321	0.5
145.03065	0.6
145.06665	0.7
149.06114	1.8
151.04054	0.7
173.06122	3.2
175.04013	2.0
177.01952	0.9
180.99896	0.5
189.05533	1.0
191.07191	5.1
193.08690	0.9
203.03458	0.7
213.05634	0.8
217.05069	7.4
217.08644	0.5
227.03526	1.0
229.05070	1.0
239.07201	0.9
254.05789	0.7
255.10297	2.3
257.04666	1.7
266.05862	0.7
269.04504	0.8
273.03931	0.6
274.04929	0.6
275.11331	3.4
281.05075	0.8
281.08243	3.3
283.09769	1.4
297.04425	1.0
297.07727	3.2
297.10831	0.6
298.04837	1.7
299.09198	3.4
309.07666	7.4
310.08002	0.7
325.10870	1.0
327.08765	32.0
328.09180	1.1
353.10352	6.1
371.11383	100.0
372.11700	4.7
415.10147	1.0
480.39746	0.5
710.21210	0.6
712.37573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.59352	1.0
65.83953	0.9
69.17863	5.0
69.18265	2.1
71.01391	5.5
71.66364	1.1
73.02959	3.2
76.76591	1.2
83.01411	2.3
85.02983	3.6
91.23388	1.1
93.03481	2.5
99.00927	1.4
101.02475	6.2
101.03041	1.2
111.00886	1.1
113.02466	3.6
117.03465	19.4
118.03901	1.2
149.06161	2.1
161.02490	2.1
161.04565	2.7
173.06035	2.4
191.07228	1.6
193.08659	1.3
215.16763	1.1
217.05020	2.2
235.09949	1.8
249.13434	19.2
265.08621	1.9
284.23257	1.1
291.14478	7.7
293.08310	2.1
311.09164	4.0
337.10962	1.9
355.11887	67.0
356.12204	4.1
691.79010	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	691.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12656	1.5
58.26387	1.3
59.01379	8.6
61.98832	3.2
64.45766	1.4
64.46140	1.1
71.01392	2.7
71.42277	1.8
71.51048	1.1
73.02943	1.6
75.00914	1.3
76.90527	1.2
79.65080	1.2
80.05062	1.4
83.05036	3.7
84.41664	1.8
85.02957	3.2
87.00887	1.6
92.06618	1.1
93.03448	1.5
94.36780	1.3
95.36858	1.6
96.96040	2.4
101.02448	3.5
106.06625	1.8
108.04597	1.7
113.02456	2.6
116.92867	3.4
117.03480	1.7
119.05048	5.9
122.06134	7.7
127.11300	1.4
134.06139	4.6
135.04546	8.1
136.07697	2.3
145.02992	2.1
152.07225	3.3
163.11316	3.0
165.12936	1.4
167.01779	1.6
167.03462	1.6
171.10291	2.9
180.06683	5.4
188.07140	3.5
201.11617	18.0
209.11841	100.0
213.10391	8.0
225.10449	1.4
225.75130	1.5
227.12956	13.1
235.08203	2.2
239.11925	5.7
241.13480	5.1
253.09372	7.8
265.09860	1.4
279.11526	1.6
281.53864	1.3
285.12445	14.9
311.10178	1.6
332.14011	4.4
341.11349	1.9
346.15573	2.0
347.16599	1.4
372.13596	2.0
373.14340	1.6
374.15085	2.8
386.15271	1.6
416.16516	8.3
427.16180	1.5
428.16104	3.6
437.20227	3.2
445.15753	1.8
445.21118	2.2
446.17172	24.6
447.17429	2.3
449.15887	2.4
449.77173	1.4
460.18665	2.2
464.18002	2.9
479.20554	2.3
489.15302	2.8
490.16104	9.2
504.17828	2.8
511.11600	2.0
518.19470	1.7
522.18860	4.7
536.20435	7.5
537.19916	1.7
551.23120	15.7
583.25592	39.2
584.25421	2.9
595.21918	6.3
612.28467	1.5
627.24524	25.0
628.25079	2.9
641.26117	2.3
659.27258	55.8
660.27289	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	692.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52664	78.8
73.60789	67.0
78.95832	99.2
90.16620	83.8
127.07232	70.1
170.99825	82.8
255.16191	74.1
267.52420	100.0
382.15216	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63465	6.5
68.36436	7.4
71.40831	8.7
96.96040	10.8
98.76752	6.7
99.36974	6.5
128.07132	6.4
133.95642	6.7
148.61075	7.5
178.20670	6.5
200.88599	6.6
269.04568	15.0
297.04041	97.6
312.06345	11.7
327.08759	97.8
327.15720	16.2
407.04477	100.0
613.28082	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	693.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10572	38.2
85.77888	6.2
86.86416	5.6
94.56824	5.7
169.62622	5.7
202.99864	5.4
226.02759	11.7
269.04614	45.2
297.04044	93.6
312.06458	20.0
315.17294	5.2
327.08704	100.0
334.07718	6.6
358.70929	6.7
379.08826	10.1
407.04456	83.9
577.58081	6.2
579.39026	5.6
649.13800	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	693.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.6
61.98809	6.4
71.01381	6.8
71.41425	3.7
73.02946	8.0
79.44833	2.3
83.01421	2.4
85.06670	2.1
96.95993	3.0
97.02933	3.0
101.02439	6.3
113.02468	4.7
117.03488	7.0
119.05031	5.1
123.04519	3.5
132.02151	2.8
133.02939	8.0
135.04515	3.2
150.03171	8.3
155.38084	2.3
160.01689	11.7
161.02512	13.7
161.04539	2.8
164.93652	2.2
165.05557	3.2
167.03564	6.7
175.03973	21.3
191.07065	2.4
193.05078	4.8
209.04590	9.0
209.11809	2.8
226.02689	7.6
254.02177	5.7
269.04514	9.2
284.03040	3.3
285.04123	4.9
297.04074	100.0
297.07455	5.4
298.04407	3.2
300.40622	2.5
301.03552	16.6
312.06281	16.7
327.08737	91.3
328.09131	4.7
407.04465	93.9
408.04715	4.8
409.05020	3.5
528.50696	2.8
620.46411	4.0
630.21844	8.8
634.64630	3.0
677.78876	2.8
692.31262	4.5
693.27515	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	693.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86755	0.6
57.03450	0.8
58.71062	0.6
59.01383	8.1
66.73070	0.6
67.01892	1.6
71.01379	5.5
72.99311	4.0
73.02962	1.5
74.77616	0.7
75.00867	4.2
78.90043	0.7
81.03445	0.9
83.01341	1.0
85.02959	6.1
87.00881	1.8
89.02443	1.1
95.01403	2.0
96.71084	0.6
99.00909	3.7
101.03992	0.7
103.00378	1.2
109.03065	0.6
113.02461	6.9
117.03532	0.8
119.15704	0.6
129.01971	0.7
136.98846	0.6
145.03029	0.8
163.00337	2.3
167.03464	0.8
169.06598	2.8
171.04549	4.5
173.06129	1.5
175.02525	1.0
181.06532	0.8
185.05847	0.7
193.03531	1.8
197.06107	7.9
198.03203	1.0
199.04028	0.8
213.05609	2.9
224.04814	0.9
225.05592	3.8
240.04369	1.1
241.05124	2.8
268.03812	12.1
268.78836	0.7
269.04559	100.0
270.04929	5.2
297.04071	4.7
298.04364	0.8
312.06326	1.1
327.08786	5.7
379.08783	21.5
380.09033	1.2
407.04559	5.3
473.10950	17.9
474.11215	1.3
587.14203	1.4
605.15991	1.2
607.12610	1.9
649.14124	37.8
650.14392	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	693.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65853	1.2
59.01389	9.1
61.98825	1.8
70.19218	1.2
71.01373	4.0
71.40259	1.2
73.02951	2.2
75.00912	1.3
83.85685	1.2
85.02941	2.8
93.03466	2.2
96.96034	2.6
100.70667	1.2
113.02474	2.2
116.92805	1.3
117.03503	1.6
119.05043	5.0
121.02983	10.1
132.02225	1.5
133.03104	1.3
134.03760	2.0
135.04532	16.0
147.04546	3.2
149.02466	59.1
149.33180	1.2
151.32722	1.3
160.01657	4.6
161.02435	3.8
161.04616	2.3
163.03990	1.8
164.04811	49.7
164.69574	1.1
175.00363	3.1
175.04007	6.7
179.03532	9.9
179.07146	5.2
190.02759	9.8
201.11426	2.3
205.05125	10.4
209.11887	7.1
210.12193	3.6
223.06155	100.0
224.06543	2.8
227.13036	1.5
284.03271	4.1
285.03928	1.3
309.03992	1.4
335.07776	12.6
335.71664	1.4
381.09808	11.6
443.15598	2.2
519.86670	1.3
596.22150	1.5
597.33557	1.3
686.91199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17209	0.6
52.60057	0.6
59.01383	4.3
69.23169	3.1
71.01382	2.9
72.99319	0.7
73.02953	1.4
78.21837	0.6
78.77696	0.5
85.02950	0.7
89.02434	1.4
89.03976	1.8
95.34814	0.6
96.96012	1.8
99.00899	2.0
101.02465	1.0
113.02472	0.9
116.92845	0.9
117.03479	6.2
119.05018	1.9
122.02537	1.0
132.02171	2.4
134.03754	84.2
135.04074	1.9
149.06085	7.4
160.01689	10.7
175.04022	21.4
178.02687	4.2
193.05072	100.0
194.05421	2.6
261.67706	0.6
320.08569	0.6
323.84210	0.7
413.14493	2.0
455.15601	3.2
473.16632	2.3
554.77356	0.8
577.95093	0.7
649.21240	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	693.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.5
59.01376	7.0
59.34805	1.9
67.39039	1.5
71.01385	2.9
71.41924	1.7
72.39185	1.5
73.02962	2.7
76.27545	1.8
82.38302	1.7
85.02917	1.8
96.96016	15.8
117.03504	1.8
119.05029	4.0
121.02935	4.8
125.03525	1.8
132.02180	26.6
133.02917	2.7
134.03743	22.9
135.04556	3.5
139.04085	2.3
145.02971	1.9
149.06107	4.9
149.14250	2.0
153.05612	3.8
160.01680	85.4
161.02402	5.0
175.04018	97.2
176.04651	3.2
177.05661	1.9
193.05077	18.1
197.04672	8.8
204.92197	1.9
207.08041	2.0
210.12285	1.9
217.05101	2.1
219.85591	1.8
225.05278	2.5
235.07738	2.9
237.05650	3.8
239.05389	2.1
249.05525	2.8
250.06454	2.2
251.03650	1.9
251.07111	6.3
253.04597	4.1
263.07178	2.8
266.09500	2.6
267.06699	11.2
277.05017	2.5
279.06696	31.4
281.08270	2.2
285.04031	2.8
291.06610	15.9
292.07458	7.5
294.05353	2.1
294.08981	5.1
295.06128	36.1
296.06500	2.1
305.08142	2.0
306.09000	13.9
307.06149	57.2
307.09329	2.7
307.26047	1.7
308.06668	3.6
309.07672	8.0
310.08447	40.1
311.09143	4.0
321.07611	3.4
322.08496	30.9
323.08749	2.5
324.09940	2.6
325.10837	81.7
326.11124	4.9
337.10617	100.0
338.09973	5.9
341.10278	2.0
399.69196	1.8
487.86115	1.9
649.32239	11.5
651.22894	2.6
663.20905	16.8
693.21948	59.5
693.31854	2.2
694.22620	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	693.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96181	0.6
59.01382	9.4
69.09206	2.7
69.09609	1.3
71.01389	5.2
73.02963	1.3
78.84994	0.7
85.02953	3.9
89.02463	2.3
89.03972	1.1
96.96026	2.1
101.02433	2.5
109.02962	1.0
109.15317	0.6
113.02438	6.2
115.76036	0.6
117.03450	1.9
119.05024	1.4
123.04524	0.7
132.02194	19.6
134.03752	22.9
137.06171	0.8
149.02449	1.2
149.06091	2.3
152.04871	1.0
153.01921	0.6
160.01672	71.6
161.02161	2.5
161.04500	0.9
167.07156	2.1
175.04018	100.0
176.04349	3.6
190.02744	0.9
193.05083	15.0
205.05110	1.3
271.41660	0.7
297.04089	6.2
301.03595	0.8
312.06516	1.5
314.42102	0.6
316.84384	0.8
319.26663	0.7
327.08746	8.3
328.09143	0.8
329.12512	2.0
407.04449	6.8
430.09729	0.7
475.18277	2.6
505.17273	2.7
633.22064	3.3
651.22754	10.6
675.26672	0.7
693.23907	17.2
693.33240	1.4
694.24432	2.9
724.72058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71818	8.4
59.01381	47.8
68.99574	100.0
78.43326	7.3
78.95863	10.4
101.51952	8.5
106.97445	6.9
112.98593	74.0
114.03063	9.2
119.05017	11.0
120.52309	7.5
252.17403	7.8
256.14453	9.5
343.22748	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	693.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84962	1.5
59.01383	2.4
78.03504	1.7
87.04536	2.7
92.13657	1.4
115.04021	58.7
116.04356	1.5
117.77329	1.6
122.02499	100.0
123.02842	4.1
171.92464	1.4
222.07721	24.7
273.15015	2.7
277.21738	2.1
329.17572	1.9
427.21469	3.2
477.64255	1.7
650.30579	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	693.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71920	0.9
54.80870	1.1
59.01387	44.4
69.04984	3.9
69.05399	3.3
73.02940	1.6
74.99086	3.2
80.05066	15.9
84.04550	1.3
86.02491	5.8
87.04524	100.0
88.04868	1.1
89.00677	1.8
98.99107	1.0
101.00696	1.5
108.04553	6.2
110.06113	1.4
117.93819	0.9
164.98482	0.8
168.01280	2.1
177.03107	1.5
185.61885	1.1
205.04514	0.9
219.11440	2.1
237.13173	3.5
238.54939	0.8
260.76678	0.9
269.04495	2.1
270.07632	1.6
327.16037	12.4
328.16281	1.5
457.25241	1.6
502.26282	1.1
517.27313	2.7
543.25812	1.9
545.30310	1.2
571.28552	8.5
606.27521	1.9
631.30432	5.4
649.31665	54.6
650.32086	7.1
681.40875	1.1
693.30670	36.5
694.20380	2.7
694.31018	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	693.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03445	2.6
59.01382	9.9
59.78249	0.5
61.75882	0.4
69.03473	0.8
71.01389	14.2
71.39687	0.5
71.40073	0.6
72.99327	4.9
73.02954	2.8
74.95311	0.5
75.00880	20.1
75.88280	0.4
83.01391	1.6
85.02956	16.4
87.00875	4.5
89.02463	2.3
95.01383	1.4
96.96011	0.6
99.00888	3.6
101.02449	4.4
103.00394	0.8
111.00880	1.1
113.02458	14.0
115.00346	1.0
116.01169	1.6
117.01956	0.8
119.05044	1.2
120.84388	0.5
123.23892	0.5
129.01956	0.8
175.02542	0.7
181.04990	0.6
185.10136	0.5
193.03581	0.8
233.31818	0.6
255.02858	0.8
277.21887	0.7
283.02454	2.9
284.03226	0.9
285.04123	2.2
315.05975	0.5
337.23898	1.9
354.29453	0.6
445.15158	1.0
446.03018	0.6
488.09637	0.6
489.10580	2.8
575.31238	0.6
675.32495	0.9
693.33411	100.0
694.33746	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	694.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75110	4.3
56.22502	4.4
59.01376	14.2
61.98829	42.2
69.13731	24.0
69.14136	7.4
71.01384	7.4
71.45147	5.2
72.08325	5.0
73.02927	5.0
84.09754	4.7
88.98827	5.6
89.02499	5.0
96.96024	40.7
99.92582	9.4
110.06124	5.8
113.02457	8.7
116.92889	25.5
119.05008	13.3
120.08210	22.4
121.02971	20.0
122.06142	36.0
123.00891	6.3
138.03223	7.4
149.02478	13.0
153.05580	19.4
153.97102	5.2
154.06017	8.5
160.01692	22.7
161.02417	8.2
164.04823	10.4
175.04037	19.5
176.04485	8.8
182.02222	5.3
193.04999	5.2
197.04570	45.4
198.04915	9.0
215.11931	5.5
223.06114	11.5
224.06555	5.1
233.78229	4.8
236.09703	5.8
251.11888	23.7
264.09140	9.1
272.49371	5.2
277.09708	11.2
281.38748	5.5
284.02948	6.3
285.04010	7.7
291.11423	17.1
292.12262	24.5
293.12946	12.4
307.06143	6.0
308.06299	6.0
323.08734	4.9
325.10934	13.9
326.11078	7.2
336.11160	9.7
337.11526	10.1
338.10834	9.7
351.21753	5.2
418.17508	6.2
432.19284	7.1
458.16718	6.1
459.17883	9.5
477.19281	7.2
478.71487	5.3
489.09305	5.3
490.20023	6.6
491.22995	9.4
508.20773	26.8
517.96417	4.7
537.25140	6.2
555.26465	10.6
569.24561	5.7
581.23688	10.5
599.25153	79.7
601.26947	6.1
606.21954	5.4
613.26147	8.0
631.27777	100.0
632.28278	7.2
650.32941	46.9
694.21118	8.0
694.31482	19.3
695.16321	5.8
724.30719	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	694.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51802	2.6
58.83577	2.3
59.01375	6.5
59.85578	1.9
61.98832	27.6
69.10858	15.7
76.23166	2.7
78.92355	2.5
85.03007	2.8
97.97369	2.2
110.06132	3.9
113.02431	3.2
117.03452	2.6
119.05051	5.8
120.08198	23.8
121.05342	3.7
122.06140	37.9
125.02505	4.9
136.07619	2.4
144.04524	4.4
160.01697	3.7
160.03973	2.6
165.05128	2.6
173.56070	2.2
174.05614	3.0
175.03993	4.9
193.05151	4.4
197.86006	2.3
203.05850	3.7
211.36060	2.4
216.03883	2.8
223.06119	4.0
236.09605	4.0
237.10233	2.6
249.14381	2.5
251.11949	17.9
255.02931	4.9
257.04605	6.6
263.11917	3.1
277.09818	11.9
278.10690	5.7
279.11371	3.4
283.02493	10.6
284.03052	11.9
285.03970	24.6
286.04385	6.7
291.11478	16.0
292.12213	21.2
293.12943	22.8
332.19354	3.3
335.10455	3.4
336.11145	4.5
337.11935	5.5
360.17111	6.8
372.17120	5.4
374.18799	3.9
374.85547	2.6
402.18466	2.8
414.18341	8.7
418.17596	4.8
432.19107	7.2
436.18793	3.7
459.17587	4.0
476.18137	10.3
477.18906	9.7
489.10101	8.6
490.10980	18.7
508.20944	25.5
509.21423	6.0
537.25397	5.4
555.26349	8.2
581.23993	7.6
599.25134	63.3
600.25031	3.7
613.26611	7.4
631.27777	100.0
632.27826	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	695.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68596	0.7
64.08954	0.6
64.19131	0.5
69.61384	2.5
85.61718	0.5
113.02496	0.7
136.98816	2.1
139.00362	0.8
141.01965	0.8
152.01187	2.0
161.65027	0.6
164.98286	6.3
180.00677	2.2
183.04472	1.1
185.02536	0.7
198.32249	0.7
211.03952	0.8
214.12593	0.6
255.03000	6.6
265.38849	0.7
269.04449	3.1
283.02493	60.1
284.02887	2.4
297.04086	2.1
298.01266	3.7
298.04800	38.4
299.05093	1.5
301.03540	1.9
303.03357	1.8
313.07184	100.0
314.07465	3.9
344.93637	0.6
353.10312	1.4
393.02975	64.9
394.03052	2.3
519.10571	1.8
591.91437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31829	0.8
59.01383	4.9
61.98838	11.6
65.00330	2.6
71.01386	2.8
75.00891	0.9
82.00623	2.2
82.95447	0.8
84.85741	0.7
85.02960	3.1
89.02462	0.8
95.01398	2.4
96.96002	5.0
99.00942	1.1
110.00111	22.6
111.00887	3.7
113.02461	5.4
123.00919	4.1
124.01690	2.6
136.98804	2.2
137.99597	5.5
139.00417	5.1
140.01099	0.9
151.00404	1.4
152.01146	4.0
159.04781	0.9
165.01900	1.3
165.99095	22.5
166.99950	4.2
173.06091	1.4
175.02434	2.6
181.06638	1.4
185.06102	1.7
201.05550	1.0
209.06007	2.0
210.03244	0.8
213.05621	1.1
214.06290	1.4
215.07152	1.0
225.05525	6.5
227.07115	1.9
229.05113	1.5
230.45636	0.9
240.38300	0.9
242.05780	1.2
243.06635	18.4
253.05066	8.8
267.06604	1.3
269.04578	2.9
270.05383	14.5
271.06140	67.7
272.06476	3.1
285.04074	8.1
415.10336	2.5
429.08066	1.3
433.11380	5.3
447.09354	4.6
475.12482	100.0
476.12860	4.9
489.10635	2.3
531.48236	0.9
592.12573	1.0
613.08453	0.9
651.15680	5.4
712.17328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1473
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
59.01379	4.3
60.81174	0.8
63.17791	1.2
65.00323	1.5
69.70779	2.3
70.27218	0.9
78.98743	0.8
82.02032	1.0
83.01437	1.0
85.02950	1.2
93.03465	1.3
96.96046	4.8
98.21960	1.9
99.47543	1.0
110.00093	2.0
113.02443	1.7
117.03452	2.4
119.05051	2.1
125.02448	2.6
136.98811	2.6
137.02415	1.4
139.00288	1.0
161.02489	2.6
163.00356	2.2
164.98291	1.7
165.99080	4.0
185.06186	1.1
193.03627	1.7
200.04863	1.5
211.03996	2.2
213.05603	1.5
223.04059	1.2
225.05556	1.7
227.03712	2.1
239.03554	4.6
241.05112	1.2
255.03026	9.5
256.03610	2.0
267.02969	2.0
268.03949	1.1
269.04565	14.0
281.04572	7.4
283.02521	15.6
284.03290	53.2
285.04074	89.1
286.04489	3.9
287.05698	1.6
297.04071	1.9
429.08597	5.4
447.09402	9.8
473.10873	6.5
489.10440	100.0
490.10806	6.6
491.11533	1.8
591.14087	1.0
609.14386	2.3
651.15735	19.7
694.33337	1.4
695.21735	2.6
695.33301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
57.03445	2.9
59.01387	100.0
69.23972	1.3
69.50210	5.0
71.01391	37.3
73.02957	18.2
75.00885	1.3
83.01380	9.7
85.02959	17.7
87.00909	3.6
87.43747	1.0
89.02464	5.6
90.51358	1.2
93.03471	1.8
95.01392	5.0
96.96014	4.9
97.02988	3.8
99.00890	5.2
101.02451	24.5
109.02978	1.3
111.00877	3.0
113.02459	24.1
114.02834	1.2
117.03490	3.3
119.03546	2.2
119.05048	5.5
121.02995	2.5
123.04535	1.4
125.02488	6.6
126.87090	1.2
134.03787	2.2
134.69426	1.2
135.04536	4.1
136.98822	1.2
137.02390	1.3
143.03493	6.5
153.02080	1.1
153.05611	1.5
155.03506	1.5
159.03023	2.4
160.01653	4.0
161.04558	11.6
165.98988	1.5
175.04024	5.9
176.04286	2.0
197.04422	2.5
206.82759	1.2
251.11464	3.9
283.02365	1.2
284.03308	5.3
331.32172	1.3
351.72943	1.2
361.12933	9.0
364.49030	1.3
403.13885	5.3
408.96564	1.6
436.59091	1.3
505.17157	14.7
506.17462	1.5
523.18237	20.1
524.18408	1.5
547.18372	2.9
562.33234	1.3
565.19299	38.7
566.19556	4.1
607.20551	4.6
651.32391	1.6
695.29120	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2199
Annotation	Littoraloside
Peak:m/z	Relative Intensity
52.30484	1.1
55.01880	1.1
57.03200	1.0
57.03451	5.7
59.01380	24.6
69.17701	6.8
71.01387	30.9
72.99315	21.1
73.02949	6.6
75.00880	33.5
78.95926	3.5
81.83370	1.2
83.01407	2.0
84.02197	1.1
85.02954	35.5
87.00888	12.0
89.02431	6.7
95.01401	5.2
96.96018	9.7
96.96967	1.7
99.00888	3.6
101.02440	4.8
103.00382	5.3
109.03006	1.7
111.00890	1.1
113.02454	44.6
121.02956	2.4
122.64075	1.0
123.44850	1.0
125.02452	3.5
129.01953	2.7
131.03505	2.9
131.93352	1.2
133.01463	1.3
157.01424	3.3
158.03751	2.3
161.02460	2.4
165.01942	1.3
175.02522	8.6
175.03873	1.6
180.72612	1.1
181.05138	1.5
193.03532	32.0
224.94113	1.1
225.05722	1.4
241.05150	1.3
251.07170	1.6
264.07965	2.6
268.07388	1.3
269.04578	16.7
269.07727	2.3
278.14224	1.0
279.06598	1.5
280.07416	2.9
284.03146	3.2
285.03903	2.6
287.05585	2.1
292.07385	2.3
294.08881	1.4
295.09769	20.3
295.12790	2.0
297.07687	1.4
307.09747	7.4
309.07938	1.8
309.11292	2.6
312.09991	1.8
324.10074	1.3
325.10834	9.7
327.12177	2.4
473.10870	8.2
474.11295	1.3
489.10349	3.8
491.11523	2.2
503.15070	2.8
515.15552	3.1
533.16821	12.0
580.57947	1.1
651.15204	1.2
677.21130	2.5
695.21985	100.0
696.22076	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	695.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45597	0.7
59.01382	0.8
59.61149	0.7
61.98837	100.0
68.15608	0.8
69.13644	4.0
98.22636	1.4
99.29169	0.7
105.63885	0.8
115.23322	0.7
116.92946	1.0
121.02991	1.0
121.70202	0.7
122.02511	0.7
134.08865	0.7
162.19760	0.8
213.79393	0.8
266.25391	0.8
329.27826	0.8
333.13858	1.0
492.52988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	100.0
68.90623	48.3
71.43610	49.6
118.12115	69.7
143.10841	62.7
195.62663	49.2
286.60703	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	695.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
57.03439	3.4
59.01384	83.7
65.78844	1.5
69.03461	3.1
69.15361	8.7
71.01391	66.4
72.99313	3.3
73.02955	23.7
73.38744	1.7
81.03493	2.7
83.01395	10.7
85.02962	23.1
86.42664	1.6
87.00895	8.6
89.02452	40.8
95.01367	3.8
96.96014	2.2
97.02448	1.6
97.02959	10.1
99.00880	9.5
101.02449	34.6
111.00886	2.5
113.02459	21.0
116.65264	1.5
116.92834	1.7
119.03502	6.0
121.02940	1.8
121.26839	1.8
124.93800	1.7
125.02460	23.2
131.03535	11.9
131.30455	1.6
134.03767	2.2
143.03505	5.2
149.02588	1.5
149.04561	9.5
161.04553	12.7
183.40724	1.8
191.05630	2.0
193.05103	2.2
221.06596	2.3
240.16570	1.8
315.17960	5.0
396.22873	1.8
433.17831	1.8
447.22412	34.2
448.22787	2.6
459.22311	7.9
477.23380	2.7
489.23529	2.5
591.26672	48.3
609.27661	100.0
610.28351	6.6
651.28650	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72707	0.1
61.98836	100.0
62.89222	0.1
69.23830	0.4
69.24237	0.2
78.03501	0.1
94.87476	0.1
98.21944	0.2
122.02500	3.5
122.03362	0.2
158.32431	0.1
174.06316	0.1
227.44510	0.1
255.17723	0.2
327.16479	0.1
572.09277	0.1
573.22437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98837	100.0
69.53928	0.6
71.01384	0.5
77.35612	0.2
78.95910	1.0
83.01402	0.2
85.02943	0.3
93.03502	0.3
95.01386	0.3
96.96026	0.3
98.21896	0.4
101.02505	0.3
110.00113	0.4
113.02489	0.3
117.03490	0.6
119.05045	1.4
122.02531	0.9
133.02992	0.3
135.04532	1.0
161.02507	0.3
164.98291	0.4
165.99080	0.2
166.63713	0.2
187.04039	0.3
254.95363	0.2
255.03174	0.3
263.07434	0.3
284.03250	0.5
284.05908	0.4
285.03967	0.6
286.04865	0.6
533.20245	0.2
556.24725	0.2
679.47742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73058	1.0
58.99902	1.1
59.01386	44.6
61.98818	4.0
69.03499	1.3
71.01387	27.4
73.02942	5.5
77.47136	1.3
79.95756	1.1
82.91267	1.2
83.01382	3.1
84.06319	0.9
85.02967	3.4
87.00888	5.5
89.02451	22.1
89.64801	0.9
95.01408	1.4
96.96018	19.1
97.02953	5.3
99.00887	2.1
101.02453	20.5
106.48978	1.1
113.02463	10.1
119.03508	7.1
125.02487	11.8
131.03484	1.6
143.03516	4.8
161.04573	5.8
162.04642	1.0
179.05569	3.0
186.80644	1.0
188.68556	1.2
211.69389	1.1
221.06490	2.1
235.08229	11.6
255.23315	74.7
256.23672	3.4
265.11969	1.6
265.14795	29.2
287.07877	2.3
292.36191	1.4
305.08707	3.5
311.19543	1.2
323.09637	1.4
397.13525	100.0
398.13943	6.1
415.14651	27.0
416.14874	1.5
467.81985	1.1
493.92529	1.2
653.37897	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	696.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.6
61.03003	3.1
61.98833	7.8
69.11771	23.9
71.01392	25.1
72.25021	3.1
73.02955	3.7
83.01403	3.9
85.02951	4.4
87.00893	6.0
89.02466	24.6
97.02959	3.8
101.02442	15.8
106.07890	2.7
107.11651	3.1
112.80274	2.9
113.02473	3.5
119.03513	3.9
120.86570	3.3
125.02456	6.9
143.03482	6.7
148.44189	3.4
161.04474	3.7
179.05544	5.6
201.11256	6.9
235.08247	10.4
255.23328	66.6
256.23508	4.1
305.08875	3.6
397.13516	100.0
398.13898	5.2
415.14630	29.4
693.76923	4.0
705.78674	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	697.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77617	0.8
59.01373	1.2
61.83850	0.8
61.90128	1.0
78.21603	1.0
79.95752	3.3
80.39849	0.9
95.76023	1.0
98.22650	3.9
104.72434	1.3
110.00101	7.9
111.00883	2.0
134.03716	3.0
135.04527	3.0
136.98843	1.3
137.99615	4.7
139.00336	4.6
153.01959	2.9
164.98300	1.5
165.99081	12.7
181.01418	1.4
211.03981	1.2
214.02560	0.9
229.01286	1.2
283.02423	1.8
298.01181	2.0
300.02783	45.2
301.03116	1.6
313.03500	2.6
315.05130	85.7
316.05533	5.5
395.00793	100.0
396.01279	4.9
439.10437	2.1
440.11087	2.0
511.98810	1.0
538.09308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49593	1.8
59.01387	6.4
65.00334	4.2
65.41866	1.7
69.41528	1.7
71.01385	4.5
72.99303	2.6
73.02986	2.0
75.00885	5.5
78.95915	2.2
80.63508	1.7
83.01398	3.2
85.02998	2.5
91.43810	2.2
95.01421	4.7
96.96033	4.7
99.00909	3.3
109.02991	2.4
110.00096	19.0
111.00906	6.6
113.02460	2.4
119.05042	33.2
123.00935	5.4
124.01720	3.7
125.02493	4.6
136.98802	9.0
137.02432	2.9
137.99574	4.4
139.00383	20.0
146.50056	1.9
152.01170	4.4
153.01938	23.4
160.01669	2.2
164.98331	15.9
165.99088	14.9
166.99873	34.0
167.03551	3.2
180.00679	5.3
180.63710	1.8
181.01512	15.3
191.03662	2.0
193.01523	5.2
194.37396	1.9
203.03479	2.4
206.91931	2.0
209.04663	2.3
213.01897	5.2
225.01988	2.4
225.05560	2.2
226.02634	2.9
227.03499	5.5
229.01366	6.4
230.02133	4.7
231.03050	5.9
241.05106	3.2
253.01450	7.0
254.02036	2.6
255.03102	5.0
259.06116	5.2
269.04544	8.3
269.44055	1.7
271.02539	3.2
281.00900	13.9
285.04083	17.8
286.04785	26.8
287.05643	87.6
288.05966	4.6
311.05878	1.9
329.05203	2.9
371.06250	8.4
417.08249	2.6
448.09933	2.4
449.10980	22.1
461.06982	2.0
491.11990	100.0
492.12488	10.1
493.10052	6.1
503.08536	5.5
517.15710	3.8
532.88867	2.3
535.18201	3.3
653.17334	34.6
654.17438	4.0
665.14337	2.1
697.23517	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	697.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39951	0.6
73.02946	0.6
93.03468	37.7
101.02445	0.7
117.03505	1.6
119.05057	0.7
137.02458	57.0
138.02792	1.1
145.02972	2.5
161.02455	1.5
163.04039	1.4
173.02454	9.4
180.95412	0.5
189.01921	4.6
217.01451	1.4
235.07635	0.6
246.07187	0.6
247.07617	0.7
263.07220	1.2
267.06528	0.7
290.05908	1.1
291.06689	7.1
301.05136	0.6
309.07260	0.5
319.06143	100.0
320.06396	4.5
337.07169	1.6
349.07104	0.9
390.76242	0.5
399.10345	0.5
429.70337	0.5
439.10376	36.7
440.10791	2.1
535.18262	0.5
535.25842	0.6
559.14581	1.7
559.69891	0.5
577.15723	2.8
697.18494	2.5
697.29663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
64.17139	0.5
71.01375	2.0
71.41306	0.4
77.66932	0.5
85.02451	0.4
85.02971	0.5
89.02431	1.4
93.03465	16.4
99.08199	0.5
101.03979	1.4
110.00131	0.4
123.00946	0.7
137.02457	18.5
137.03506	1.0
145.02939	3.4
161.02509	0.6
163.03954	0.6
173.02452	11.6
189.01936	14.5
194.99420	0.8
199.00362	1.1
201.64972	0.5
207.08086	1.0
219.08089	0.5
235.07724	0.6
242.52092	0.6
245.05974	0.6
246.06906	1.1
247.07648	6.7
248.07948	0.6
263.07092	1.4
291.06659	23.7
292.06946	1.0
300.02759	1.0
301.05127	6.5
315.05042	1.7
319.06137	43.3
320.06400	2.9
349.07224	1.1
395.00790	1.5
439.10370	100.0
440.10730	7.5
493.24466	1.2
559.14532	1.4
576.58411	0.6
577.15521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95994	0.7
57.03457	6.7
59.01376	1.5
63.29273	0.7
71.01376	1.2
71.05031	4.2
74.75849	0.8
78.95869	0.8
83.27952	0.6
85.02962	4.9
97.02951	2.1
97.06598	17.0
97.07218	1.1
99.00856	1.2
123.08112	0.8
125.60146	0.8
133.02943	1.2
135.08185	1.2
151.00429	1.0
151.04216	0.7
189.12831	6.3
203.14406	1.4
205.15866	1.0
243.17468	4.4
245.19156	7.6
261.18573	1.8
263.20129	4.2
285.04059	1.4
287.16565	2.5
289.18024	1.3
296.63446	0.9
301.03531	5.8
307.19272	8.9
345.50330	0.7
351.18069	5.3
377.15967	2.5
379.98468	3.6
395.00711	5.5
395.17136	100.0
396.01392	1.3
396.17459	5.9
401.06982	1.1
534.69147	0.9
537.43335	0.8
697.18030	0.9
700.54034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06204	0.3
53.48871	0.3
53.60648	0.4
59.01376	0.4
60.99311	16.8
71.01383	6.8
79.95722	0.4
88.98813	100.0
95.33213	0.4
96.96021	1.3
99.98666	0.4
115.00365	0.5
221.04582	1.3
221.08331	0.5
221.97552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
55.97137	1.1
57.03440	2.3
59.01390	9.3
63.10314	0.9
66.11355	1.1
66.30857	0.9
68.99818	1.4
69.03445	1.4
71.01393	17.4
72.99312	10.4
73.02949	4.5
75.00878	24.2
83.01351	1.2
85.02465	1.8
85.02954	20.3
87.00900	5.4
89.02448	5.5
95.01398	3.0
96.96026	1.9
99.00881	9.0
100.06694	1.0
101.02384	2.3
103.00394	2.5
113.02470	19.1
115.00391	2.4
121.02930	2.9
129.01920	1.2
131.03462	1.7
145.02881	1.4
147.04532	1.6
149.02402	1.5
150.03287	1.2
157.01466	1.5
158.03738	1.3
159.04518	1.3
160.05280	3.7
164.04865	1.1
165.01976	1.6
167.03508	1.6
175.02489	2.0
175.07664	3.6
178.06339	2.4
193.03523	7.6
269.08240	8.5
283.09857	3.9
299.09216	4.9
311.09430	9.8
313.36826	1.2
314.11639	11.3
326.11578	12.2
327.12427	1.3
329.13968	22.8
337.07779	15.5
341.14005	7.0
433.10056	1.1
491.11853	2.1
517.17175	2.6
584.19104	1.3
697.23578	100.0
698.24109	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	697.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25501	0.9
50.68172	1.0
57.03449	3.2
59.01385	12.1
69.03460	1.1
69.04739	1.9
69.05146	6.2
70.07928	1.1
71.01390	19.1
72.99314	6.5
73.02941	3.5
73.97196	1.0
75.00873	21.6
78.36991	1.1
83.01376	1.8
85.02957	22.4
86.05891	1.1
87.00874	7.4
89.02433	3.9
93.03445	1.3
95.01390	4.2
96.09681	1.1
96.95989	1.5
97.02951	1.1
98.21825	2.2
99.00890	8.9
101.02457	2.8
113.02451	20.5
115.00375	3.9
117.01936	2.1
121.02969	2.6
122.03741	1.3
125.02425	1.4
136.05321	1.8
146.32249	1.1
147.04556	1.4
149.02507	1.4
150.03207	1.1
158.03749	1.3
159.04533	5.1
160.05322	18.9
161.04692	1.2
161.06079	5.3
162.03209	1.6
162.07047	1.3
163.04048	1.6
164.04855	1.8
173.06117	3.0
175.02522	1.9
175.07657	13.7
177.05592	5.3
178.06351	9.3
191.03490	2.6
192.07910	4.4
193.03366	1.5
193.08716	2.8
270.04306	1.4
287.93567	1.0
289.89246	1.3
301.03430	2.6
315.12051	1.2
329.13974	26.4
330.14032	2.6
337.07718	10.2
359.15274	1.4
449.10489	1.7
494.37057	1.4
535.10992	2.1
667.22040	1.8
697.23511	100.0
698.23889	12.3
700.88690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2357
Annotation	(+)-Hydroxypinoresinol 4,4'-di-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	1.0
56.69321	0.6
57.03450	1.8
59.01389	6.4
62.80801	0.6
68.99796	0.9
69.97034	1.3
71.01393	10.1
72.99316	7.6
73.02962	1.2
75.00879	40.0
78.95882	0.9
83.01380	1.9
85.02958	13.3
87.00881	2.5
88.03191	0.6
89.02449	0.8
93.58488	0.6
95.01385	2.3
96.96008	2.3
98.95584	1.4
99.00885	7.3
101.02450	0.8
107.83976	0.7
110.43618	0.7
111.00892	2.4
112.01730	0.7
113.02468	8.3
115.00366	1.4
116.92838	1.6
117.01869	1.1
121.02949	2.8
129.02005	1.6
129.67734	0.6
139.00401	1.0
153.01955	0.7
157.01454	2.0
159.04521	1.1
170.99916	1.3
175.02504	1.1
183.10388	0.7
231.02864	0.7
254.05862	1.5
255.06625	2.2
267.06711	1.6
268.07312	0.8
269.08151	3.2
270.09006	1.9
280.07480	1.0
281.08289	5.6
282.08975	1.5
283.09653	2.4
295.09711	1.6
299.09433	1.3
304.92889	0.7
311.09338	1.0
311.12906	0.8
312.10214	1.7
314.11609	1.5
315.12332	4.7
326.11642	2.8
327.12332	3.7
329.13931	5.0
341.10284	1.5
341.13947	3.3
353.10345	0.7
354.11179	0.8
355.11844	1.4
356.12653	1.6
357.13281	0.8
368.12613	1.3
369.13364	1.6
371.15140	2.8
409.12741	0.8
413.12512	1.4
425.12360	1.0
428.14771	7.3
440.14914	3.3
442.16928	0.9
443.17151	7.1
444.16913	1.0
446.15164	0.9
455.17145	2.4
457.15045	0.9
458.16022	1.1
461.18515	1.1
473.14310	2.9
485.14825	1.2
487.15909	4.9
499.16733	3.4
505.17172	9.2
517.17163	6.8
518.17493	1.0
519.02863	0.7
535.11041	1.6
535.18243	22.9
536.18677	1.8
679.22504	1.9
697.23541	100.0
698.23810	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	697.2356
Annotation	(+)-Hydroxypinoresinol 4,4'-di-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01883	1.2
57.03452	5.2
58.13756	1.1
59.01118	1.6
59.01384	17.3
68.99798	1.4
69.39344	2.5
69.39758	2.5
71.01389	37.0
72.52988	0.9
72.99315	16.2
73.02951	3.0
75.00882	32.2
83.01384	1.7
85.02964	34.3
87.00891	12.2
89.02452	7.4
95.01381	2.9
99.00899	7.7
101.02422	2.8
103.00378	4.5
108.02140	1.2
109.02957	1.7
111.00889	1.8
113.02462	28.3
115.00326	1.3
117.01962	1.9
121.02976	2.5
123.04618	1.1
129.01942	3.1
131.03499	2.1
157.01434	2.2
159.04514	1.6
160.05296	4.7
161.06090	1.7
172.05324	1.5
173.06047	2.4
175.02444	2.2
175.07632	3.3
178.06404	1.5
181.05603	1.1
189.05585	1.9
190.06282	2.8
193.03584	6.6
205.08667	2.2
296.10544	1.6
296.33359	1.1
311.12875	3.8
315.12305	1.9
329.13873	6.8
341.13919	3.8
417.56610	1.1
517.17157	3.4
535.18292	17.0
536.18530	1.6
586.76404	1.3
679.22162	2.8
687.56860	1.5
697.23499	100.0
698.24316	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	697.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
69.15466	3.6
69.15867	2.3
71.01392	2.3
79.91844	0.8
82.48437	0.9
85.02967	0.8
85.26089	0.9
96.96006	2.0
101.02426	1.4
113.02467	0.9
119.05029	1.3
121.02956	2.7
126.36744	0.8
132.02194	23.3
133.02983	4.7
134.03760	27.7
135.04512	1.5
144.86284	0.9
145.02914	1.2
147.04562	1.9
149.06096	5.1
159.04544	1.1
160.01678	96.3
160.05318	2.8
161.02145	2.6
161.06113	1.3
175.04024	100.0
175.07474	1.8
176.04430	2.9
177.05487	1.1
178.02710	1.4
179.03473	1.4
191.07178	1.2
192.07857	1.2
193.05086	21.4
215.51216	0.8
217.05118	2.0
255.03064	0.9
255.10295	1.6
257.35590	0.9
258.77148	0.7
266.09424	1.0
269.05487	1.2
269.08221	10.5
281.08109	1.6
283.02444	1.2
283.09793	5.1
285.04153	0.9
295.09607	0.9
299.09280	7.6
311.09256	11.5
312.06058	0.9
314.11630	14.2
315.12241	1.3
322.06985	1.6
326.11652	8.0
327.12347	1.0
329.13943	21.1
330.14389	1.3
337.09314	89.0
338.09644	5.2
341.14017	6.2
378.57172	0.8
548.77399	1.0
619.89783	0.9
643.09406	1.0
697.25134	58.4
698.25018	5.6
704.27393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.6
61.55812	0.7
69.15105	4.8
71.01379	2.5
83.34924	0.8
85.02941	1.6
85.71572	0.8
88.98813	1.2
96.95973	1.2
101.02447	2.0
111.92194	0.8
113.02423	1.2
117.03471	1.4
121.02925	2.8
127.88286	0.9
132.01218	1.6
132.02177	25.6
133.02940	3.1
134.03751	27.5
135.04501	2.7
145.02917	1.0
147.04497	2.0
149.06104	4.9
159.04509	0.8
160.01668	100.0
160.05251	3.8
161.02124	2.6
161.06146	0.9
173.06142	0.9
175.04013	99.7
176.04401	2.7
178.02678	1.4
178.06409	1.2
179.03615	0.9
193.05072	23.0
202.02664	1.1
217.05019	1.5
255.10196	1.3
269.08270	10.3
281.08279	1.0
283.09775	6.4
295.09607	0.9
298.12299	1.0
299.09311	7.4
311.09244	12.2
314.11603	15.7
315.12131	1.4
322.07031	0.8
326.11606	10.0
329.10312	1.3
329.13989	21.2
330.14572	1.1
337.09311	81.2
338.09726	4.9
341.13916	6.9
368.30029	0.9
461.93399	0.9
697.25000	49.8
698.25049	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	697.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.3
57.03439	4.9
59.01387	95.8
60.01719	2.1
61.98841	11.4
69.03448	4.2
71.01392	76.7
72.99307	3.2
73.02959	24.7
75.00861	2.6
82.95420	7.1
83.01407	14.5
85.02955	25.8
87.00889	8.6
89.02454	46.5
93.03460	2.7
95.01385	6.0
96.96021	5.0
97.02968	10.8
99.00893	9.1
101.02454	48.3
110.00120	3.8
111.00897	8.3
113.02469	28.7
117.03480	7.5
119.03545	5.0
119.05029	14.7
125.02453	30.1
126.29084	2.3
131.03526	12.4
132.02229	4.8
133.02934	3.3
134.03754	10.3
135.04555	15.2
136.98851	2.6
143.03526	7.6
145.02962	3.6
149.04543	10.2
153.01878	2.5
153.98463	2.5
159.03017	4.2
160.01678	13.0
161.02467	3.0
161.04588	12.0
164.98390	2.4
165.99103	3.2
167.03484	3.8
175.03943	14.3
179.05598	2.9
191.05615	4.6
193.05103	7.9
221.06674	2.6
236.98775	2.5
255.02975	4.0
279.08804	2.7
283.02344	3.0
284.03204	2.6
299.01932	2.4
301.03568	2.8
307.24496	2.1
317.19638	6.2
327.05045	3.4
333.20917	2.6
433.05417	4.9
449.24020	36.6
461.23831	8.6
493.24789	4.6
561.71625	2.7
593.28088	41.4
600.05481	3.6
611.29236	100.0
612.29425	13.9
653.30640	16.0
697.25250	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	697.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.0
61.98846	1.2
71.01377	2.8
71.58276	0.4
73.02978	0.6
81.05215	0.4
83.01411	0.5
85.02967	1.0
89.02464	1.6
93.03484	0.6
96.96081	0.4
98.22648	0.9
99.00967	0.5
101.02460	1.4
101.04765	0.4
106.88981	0.4
113.02470	1.6
116.92867	1.3
117.03486	0.7
119.05061	2.5
135.04585	2.4
139.00465	0.5
147.72855	0.4
161.66959	0.4
167.15977	0.4
215.10869	0.7
217.12309	0.8
223.34402	0.4
229.12354	4.8
243.13893	1.1
271.17081	3.7
284.17899	1.0
285.04062	0.6
285.18668	5.6
287.20197	7.3
313.18079	8.2
331.19177	100.0
332.19501	5.3
345.20789	2.4
373.20200	7.2
374.20670	0.7
433.05298	0.5
475.23508	2.1
493.24493	61.3
494.24896	5.4
511.03421	0.5
535.25543	23.2
536.26038	1.6
577.26556	2.4
623.44244	0.5
653.33875	1.1
669.58014	0.5
697.30841	43.3
698.30981	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	697.377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	0.5
71.41713	0.5
79.39523	0.4
79.95770	1.5
84.67973	0.4
96.96022	71.1
97.90830	0.4
98.19187	0.4
129.41812	0.4
152.99590	0.5
160.18050	0.4
169.53369	0.4
239.43944	0.4
265.14816	100.0
266.15094	3.9
377.68958	0.5
397.13531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.3
69.32162	0.7
69.32584	0.4
74.19164	0.2
79.95715	1.3
80.96526	0.3
88.07806	0.2
95.95270	0.5
96.36223	0.2
96.96021	65.5
139.87288	0.2
191.95139	0.2
265.14804	100.0
266.15109	3.8
297.15439	0.2
408.67902	0.2
576.33795	0.3
577.27063	0.6
642.97461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57784	1.1
61.98838	1.8
66.40490	1.1
71.32303	1.6
79.95740	2.5
96.96022	72.0
143.42838	1.4
152.99637	1.7
156.07040	1.2
160.52222	1.5
265.14801	100.0
266.15164	4.4
326.71918	1.3
328.76138	1.2
527.31897	1.4
555.05212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
62.69902	0.5
69.03437	0.7
94.81190	0.4
95.05063	0.6
96.96016	1.2
99.08162	2.7
107.36503	0.6
108.84736	0.5
119.05034	1.8
124.65836	0.5
125.09796	0.7
127.11309	0.8
135.04564	0.8
139.11278	0.8
155.14490	0.9
165.12852	1.3
166.01561	0.6
167.14471	0.8
171.10280	4.1
183.13936	3.7
193.12376	1.3
209.05898	1.3
209.11852	1.3
211.13411	23.9
212.13774	1.0
227.06062	0.5
229.14452	14.7
237.08896	0.9
245.04924	0.5
247.07130	1.0
248.41560	0.6
249.09012	7.3
263.06006	1.4
265.07608	9.2
267.09171	15.0
268.09329	0.7
279.05533	0.7
286.07181	1.0
293.21439	0.6
311.08347	0.7
311.22186	0.6
329.23358	100.0
330.23764	5.0
347.19669	0.6
349.16898	0.7
367.18851	4.5
391.18060	0.5
398.60544	0.5
421.19177	0.9
461.22406	4.2
462.22760	0.5
579.31915	1.0
653.52417	0.5
697.42206	26.1
698.42395	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	698.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49109	1.9
56.30799	1.8
59.01379	13.3
61.98831	10.3
65.00323	3.6
66.29323	1.9
69.75679	2.4
69.76026	6.9
71.01368	2.0
81.93092	2.1
83.01400	2.7
93.03478	8.0
94.02985	3.9
95.01403	2.5
109.02949	2.4
110.02454	3.3
117.03486	18.3
119.05035	54.6
122.02438	10.1
123.66198	2.1
127.04053	2.0
135.04524	15.5
136.00406	6.8
136.04051	5.7
136.98807	2.5
138.01953	13.2
140.03549	2.3
143.05029	3.1
152.03542	26.8
158.03752	2.8
159.04510	9.6
161.02440	4.4
163.99863	3.7
166.01448	30.3
173.06203	2.2
179.07153	3.3
180.02997	20.0
187.03940	4.7
189.05623	3.0
192.03094	5.0
203.03555	20.5
205.05003	4.3
207.06561	2.0
217.05054	5.3
249.07802	3.4
258.07800	4.2
274.07266	5.8
283.02704	2.2
284.05618	4.0
286.07239	100.0
287.07437	3.4
296.05542	4.7
298.07187	4.9
299.02042	4.1
306.05200	3.5
312.05130	5.3
317.06659	3.2
323.09412	3.3
331.19290	2.4
335.09326	4.2
355.05533	2.1
379.08282	23.7
406.06046	2.2
411.10843	25.8
418.13080	4.5
462.11960	14.2
494.14410	18.1
504.12781	12.8
536.15417	5.8
631.89691	2.3
698.18665	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	699.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57743	0.8
55.23056	0.8
59.01394	1.3
62.96405	10.3
69.85876	2.6
70.94596	2.2
71.01379	1.0
72.99319	2.4
74.96439	1.7
78.95914	55.2
85.02950	0.9
94.93763	0.9
97.93408	0.8
109.02966	7.3
110.94112	20.1
114.93585	1.1
119.05028	1.5
123.04543	2.3
126.93623	7.3
133.02969	19.1
134.03769	1.1
144.71086	0.8
145.06589	2.0
146.91791	31.9
147.52913	0.9
149.06079	2.5
151.04025	0.9
154.93073	5.7
167.03506	8.2
170.99858	100.0
173.06052	2.1
175.04092	1.8
177.01976	1.0
190.02715	1.6
190.90729	2.0
191.03554	5.4
191.07135	3.9
193.08720	1.1
201.01817	1.2
213.05455	0.9
214.02617	1.0
215.03600	4.4
217.05110	6.3
218.97482	2.1
227.03490	1.7
229.05016	1.1
246.97015	57.4
253.05125	1.2
255.10271	3.0
257.04657	1.5
258.01434	1.1
281.08209	2.1
282.94711	38.5
283.02295	1.1
283.09674	1.2
297.07813	2.3
298.04849	1.8
299.09375	2.5
309.07764	6.9
327.08752	28.3
328.09094	1.0
348.61154	0.9
353.10361	5.7
369.09863	1.1
371.11392	78.9
372.11719	2.4
395.10126	4.4
397.09418	1.7
415.10373	8.4
479.35080	0.9
505.09894	2.7
519.11224	1.1
537.12335	1.8
537.19879	1.8
698.36267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34110	1.0
55.01910	0.9
59.01379	4.6
62.55299	1.0
64.70535	1.1
70.50143	2.6
71.48455	1.0
78.39112	0.9
78.88914	0.9
83.50087	1.3
110.94115	4.4
111.87916	1.0
133.55878	1.0
145.02963	1.4
157.02995	1.4
158.03786	2.4
159.04572	2.1
161.02454	1.6
162.03343	1.4
163.04018	4.2
169.02881	1.3
173.02429	6.5
174.03197	3.7
182.04007	1.2
183.04613	1.4
185.02489	3.9
186.03246	5.0
187.03983	4.1
189.01979	4.4
190.02736	43.3
191.03520	100.0
192.03880	2.7
197.02345	1.9
198.03235	4.6
199.03990	1.4
203.03558	2.9
204.92249	8.4
210.03232	3.5
211.03964	8.2
212.01212	3.6
212.04651	1.3
213.01953	21.7
214.02718	18.4
215.03513	57.9
216.04100	1.3
226.02722	4.1
227.03471	10.6
228.04411	2.2
229.05060	3.5
230.02162	1.6
231.02922	7.0
232.03851	3.8
233.04556	18.2
238.02808	3.7
239.03487	13.7
240.04051	2.6
241.01431	4.4
242.02368	1.5
243.03059	2.0
254.02237	4.5
255.03070	10.1
256.03745	4.2
257.04590	14.0
258.01733	3.1
259.02441	4.7
269.04572	7.1
275.05762	1.3
282.01810	6.4
283.02518	14.1
284.03293	1.7
297.03979	3.3
300.02914	3.1
301.03549	6.5
314.04370	9.4
315.05136	16.1
333.06195	2.1
395.09882	83.8
396.10205	3.9
399.42786	1.2
419.09775	14.6
437.10846	7.1
459.09109	1.4
461.10895	7.8
463.08566	5.9
479.11893	1.3
487.08902	3.8
495.11578	1.6
505.09949	36.8
506.10242	3.1
519.11444	28.0
520.11865	1.3
537.12543	29.9
538.12531	2.3
599.16278	2.3
667.15387	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	699.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19613	0.6
59.01455	3.4
61.98918	4.2
71.01464	1.3
85.03053	0.7
89.02525	1.0
98.19947	0.5
113.02596	1.4
133.02989	3.0
135.04671	0.8
141.60693	0.5
161.02466	9.5
204.04416	1.0
209.18362	0.4
219.06717	0.9
235.06206	0.6
243.06834	0.6
249.07906	0.6
257.08365	0.7
263.09415	1.4
269.11935	0.7
271.09894	1.0
272.10526	1.1
287.12946	3.7
313.14679	1.2
315.12720	1.4
329.14169	0.8
330.11234	1.3
331.11938	4.9
331.15665	3.7
347.15363	0.5
357.09848	0.8
357.13599	3.7
359.11261	0.7
373.13043	1.6
374.13342	1.6
375.14496	58.5
376.14786	2.9
391.87012	0.5
417.15817	2.1
475.68063	0.6
477.18753	0.8
477.25186	1.6
536.18884	0.7
537.19830	100.0
538.20264	7.7
545.71356	0.5
637.21594	7.1
699.24878	16.8
700.24792	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	699.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19613	0.6
59.01455	3.4
61.98918	4.2
71.01464	1.3
85.03053	0.7
89.02525	1.0
98.19947	0.5
113.02596	1.4
133.02989	3.0
135.04671	0.8
141.60693	0.5
161.02466	9.5
204.04416	1.0
209.18362	0.4
219.06717	0.9
235.06206	0.6
243.06834	0.6
249.07906	0.6
257.08365	0.7
263.09415	1.4
269.11935	0.7
271.09894	1.0
272.10526	1.1
287.12946	3.7
313.14679	1.2
315.12720	1.4
329.14169	0.8
330.11234	1.3
331.11938	4.9
331.15665	3.7
347.15363	0.5
357.09848	0.8
357.13599	3.7
359.11261	0.7
373.13043	1.6
374.13342	1.6
375.14496	58.5
376.14786	2.9
391.87012	0.5
417.15817	2.1
475.68063	0.6
477.18753	0.8
477.25186	1.6
536.18884	0.7
537.19830	100.0
538.20264	7.7
545.71356	0.5
637.21594	7.1
699.24878	16.8
700.24792	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	699.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21905	1.1
59.01369	3.5
61.98829	3.0
71.01371	3.6
78.93031	1.1
79.95774	1.4
80.27830	1.1
82.95432	3.0
83.01342	1.1
85.02960	2.1
93.03454	2.7
96.96022	24.7
97.51306	1.1
101.02478	1.5
105.67603	1.1
108.02242	1.3
109.02952	4.3
117.03347	1.5
119.05016	2.5
119.80108	1.1
121.02972	13.6
122.03749	13.1
123.04544	2.3
124.04041	1.3
129.03427	1.4
132.02174	15.1
133.02962	2.2
134.03751	26.6
135.04491	4.6
137.02437	1.6
147.04530	7.8
148.05333	1.4
149.02478	1.3
149.06084	5.5
159.85075	1.1
160.01668	62.6
161.02170	1.8
161.06058	2.7
163.82352	1.3
165.01920	1.2
165.05586	21.0
167.03513	1.8
171.07712	1.6
175.04005	76.3
176.04430	2.7
179.07147	6.1
191.07018	1.9
193.05070	20.3
197.04610	1.7
217.04994	1.3
220.22699	1.2
227.06783	1.4
235.35310	1.2
279.08719	5.6
311.05502	1.4
315.12354	2.7
337.09305	100.0
338.09525	5.9
346.14270	8.5
347.14935	5.9
361.16580	47.9
362.16766	3.4
434.63245	1.2
461.55899	1.2
495.33292	2.6
519.20337	2.4
522.87469	1.5
699.26617	37.9
700.26849	4.3
713.21582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51553	49.8
69.21163	44.3
74.85764	49.4
94.89676	48.7
98.14778	43.5
121.02946	64.2
122.02486	100.0
135.74107	40.4
137.19067	43.4
139.04065	42.5
201.11377	56.5
299.88531	58.8
589.65161	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
65.00337	4.9
65.99863	2.7
70.28931	2.8
71.01362	1.6
72.99320	3.2
79.06811	1.2
81.63435	1.6
83.01376	2.7
85.60394	1.4
90.70409	1.2
96.96037	1.9
97.74356	1.4
100.56366	1.4
107.01383	2.2
109.23174	1.3
110.00084	3.3
111.00938	1.4
119.59620	1.3
120.00942	1.9
121.40617	1.3
123.00987	1.6
133.01453	2.0
136.00433	7.9
145.06616	1.7
150.01994	2.7
151.00368	4.6
163.99905	6.2
171.04543	2.3
175.99915	1.5
178.01427	2.5
206.00954	2.6
211.07750	1.7
213.05606	4.8
240.06671	2.7
253.05072	8.0
253.33484	1.5
255.06665	40.7
256.06958	2.5
268.06146	26.4
270.07803	2.8
271.06143	2.2
280.06265	4.9
282.07697	7.5
310.07230	12.4
402.69589	1.6
419.06430	2.8
524.13312	13.2
566.14587	100.0
567.15155	8.1
596.15381	2.2
700.18170	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	700.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46080	0.9
55.01876	1.3
57.03453	2.3
59.01170	0.7
59.01382	7.9
65.00329	1.8
65.99849	2.3
67.01910	1.4
68.22468	0.8
68.99804	1.1
69.03474	1.6
70.48694	1.9
71.01379	6.9
72.99303	5.6
73.02944	3.5
76.19594	0.9
83.01375	1.7
85.02961	6.9
87.00879	1.1
89.02432	1.9
91.21156	1.0
95.01408	3.7
96.99300	1.6
97.02924	2.1
98.22507	1.4
99.00901	16.7
110.02489	1.2
111.00909	8.3
113.02463	9.9
123.00900	7.5
123.03293	1.7
124.98822	1.0
127.44477	1.0
134.02502	1.6
135.03320	2.3
136.00407	3.2
139.00410	10.5
140.01166	2.6
141.01961	50.8
141.07106	1.9
148.04143	0.9
151.02759	3.4
153.07175	1.8
157.06607	2.5
163.99918	3.4
165.00717	1.4
166.01466	1.2
169.06595	2.2
171.04573	4.5
173.06096	1.2
181.06616	2.1
192.03111	1.1
193.03549	12.6
197.06039	1.4
209.06180	1.4
211.07646	3.5
213.05663	1.3
220.07654	2.2
221.35057	1.0
224.07254	1.9
225.05602	18.5
226.08609	1.0
230.81099	0.9
236.07146	1.2
237.05580	2.0
238.08824	1.4
240.06564	1.5
241.05031	2.1
242.08272	20.7
243.08427	1.1
250.05363	1.0
252.06636	1.8
253.05098	18.7
254.05539	1.8
255.06689	6.8
264.06705	2.1
266.08191	2.8
268.06161	9.9
270.07736	39.0
271.08109	2.5
278.04562	1.0
280.06146	2.1
282.07788	2.6
290.07965	1.9
294.07745	1.4
296.05606	1.1
308.09152	1.4
317.04959	2.3
334.07053	1.0
352.13159	0.8
358.07147	1.1
380.12796	2.4
382.10739	5.3
398.14090	3.8
433.08096	1.7
437.12292	1.1
438.13586	10.7
450.13260	1.4
452.15088	5.3
480.14581	6.6
506.12469	16.8
507.13483	1.0
522.12103	2.0
524.13562	100.0
525.13873	7.8
596.25616	1.0
700.16797	51.9
701.17194	5.5
715.22388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04425	0.3
51.28617	0.3
51.76158	0.3
56.55387	0.3
59.01387	2.8
61.98835	100.0
69.57502	0.9
71.01390	2.0
73.78310	0.4
85.02957	1.5
89.02456	1.1
92.85040	0.3
95.01400	0.8
101.02432	0.7
101.89802	0.4
106.14833	0.3
111.00885	0.4
113.02459	3.5
114.10951	0.3
115.46327	0.3
117.03502	0.6
119.03523	0.5
132.02193	0.5
133.02966	7.3
134.03812	0.8
135.04549	1.9
137.07973	0.3
149.06094	0.4
160.01694	1.3
161.02463	27.9
162.02774	0.8
175.04033	2.1
179.03561	1.3
192.02376	0.4
193.05110	0.6
356.13547	0.4
402.24591	0.3
461.16882	0.9
522.00342	0.4
637.21454	31.3
638.21655	3.2
638.30731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98833	100.0
62.98548	0.2
71.01387	0.4
85.02969	0.2
92.66976	0.2
93.03522	0.2
108.02186	1.2
113.02474	0.5
123.04562	0.4
125.02452	0.2
127.78400	0.1
132.02209	0.4
133.03061	0.2
134.03725	0.4
135.04564	0.5
150.03287	0.4
151.04001	0.4
152.01176	1.7
153.05626	0.3
158.48154	0.2
160.01651	2.3
161.02473	0.5
165.05682	0.4
166.02812	0.2
167.03496	3.1
169.48799	0.2
175.04004	2.2
181.05165	0.2
191.16516	0.2
193.05098	0.7
199.69218	0.2
248.17073	0.2
265.07877	0.2
323.07773	0.2
337.09314	0.7
443.75812	0.2
456.46814	0.2
461.16763	1.0
505.13797	0.4
536.67908	0.2
637.21368	3.9
638.22198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59510	6.3
60.23032	5.0
61.98835	9.4
69.28898	19.6
69.29306	9.9
93.93530	5.5
108.74648	5.7
122.02488	100.0
128.04309	5.8
159.48148	5.0
222.07666	8.4
245.16516	5.1
310.81363	5.5
335.42938	5.6
383.37390	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	701.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52141	6.0
59.01386	67.5
59.48081	5.5
71.01390	51.9
71.23315	5.4
73.02939	8.3
85.02974	15.0
87.00914	11.7
89.02452	57.4
92.92809	7.5
94.92538	15.6
101.02484	40.5
108.90214	6.6
113.02458	18.1
119.03548	11.3
125.02453	7.2
143.03526	14.5
161.04536	14.3
179.05614	32.8
193.03607	10.7
204.77625	5.5
221.06714	16.9
223.91333	5.8
227.51283	6.6
281.08804	6.6
341.10916	38.5
383.12045	70.1
443.14102	16.8
485.15259	14.2
528.90930	6.4
539.13739	8.3
665.21466	100.0
666.21783	13.9
701.19525	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60938	0.5
54.39513	0.5
57.24221	0.4
59.01365	1.0
61.98506	0.8
61.98834	13.2
62.87093	0.5
67.77395	0.5
80.02670	0.5
88.41879	0.5
93.03457	0.8
101.02477	0.6
105.03488	0.8
108.02181	31.7
108.58619	0.6
111.09486	0.5
113.02512	0.5
116.92842	1.4
121.02929	1.1
122.03744	2.0
123.03621	0.8
123.04528	14.6
123.05392	1.1
132.02188	1.4
133.03001	1.5
134.03761	4.7
135.04495	1.1
147.04448	0.7
147.42105	0.5
149.02454	2.4
149.06097	1.4
150.03233	10.9
150.04393	1.1
151.00348	0.6
151.04050	6.2
152.01161	60.7
153.01491	1.1
160.01668	8.9
161.02490	3.8
165.05565	8.6
166.02745	3.8
167.03503	100.0
168.03851	2.7
168.60455	0.5
175.04037	14.0
177.05602	0.7
178.02596	0.7
179.03441	0.7
180.04282	1.0
181.05089	8.1
191.07239	0.6
193.05051	5.6
195.06659	4.6
235.06110	6.9
282.09045	0.7
323.07651	3.5
327.08792	0.8
337.09277	17.8
341.10413	2.5
371.11313	1.7
383.11331	0.6
389.12491	1.2
390.21307	0.5
419.07437	0.6
429.41254	0.6
431.13599	1.5
453.05563	1.9
455.12985	0.7
459.13150	0.9
471.13004	1.7
474.75464	0.5
501.14267	0.7
504.12189	0.8
505.13669	8.2
519.15222	1.3
533.16571	3.7
559.14606	2.1
653.19330	0.9
665.18976	1.3
683.19385	1.3
701.21051	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	701.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02141	0.8
58.82337	0.8
59.01371	3.7
65.00305	0.9
67.01894	1.3
70.06361	0.9
70.06684	2.1
71.01384	6.8
73.02957	2.0
80.81466	0.8
81.03465	3.9
83.01413	2.2
85.02953	2.4
91.01897	1.4
95.01388	2.0
96.96005	2.8
97.02946	1.3
101.02442	5.6
107.01398	4.0
108.02190	9.1
109.02945	2.2
111.00866	1.1
113.02446	3.7
121.02962	4.5
122.03726	1.6
123.00880	2.5
123.03638	1.1
123.04534	16.3
125.02464	4.1
137.02444	3.7
145.02974	1.1
147.04510	1.4
150.03232	1.9
151.00365	5.9
152.01157	11.4
153.02000	4.2
153.05562	3.4
155.11008	0.9
159.04463	1.6
160.05353	4.2
161.06062	1.0
162.03229	1.2
163.04047	2.4
166.02812	1.8
167.03505	56.4
168.03923	1.2
174.03204	1.7
175.04019	9.8
175.07617	4.5
176.04718	2.6
177.05484	1.5
178.06273	2.3
180.04263	2.0
181.01358	1.6
181.05035	1.2
182.02228	3.6
183.03053	1.2
188.04832	1.3
189.05641	4.4
190.06355	14.6
191.07176	7.4
192.07851	1.8
193.05040	3.9
194.05801	2.9
197.04587	7.6
203.07253	1.1
205.08710	11.0
207.06650	1.5
208.07431	14.8
222.09039	4.2
279.08887	1.2
296.05344	3.9
297.06058	1.3
311.07748	100.0
312.08014	3.4
326.06345	2.4
329.13882	9.9
341.08768	23.0
342.09113	1.8
344.12695	2.0
345.13495	2.9
359.15012	32.4
360.15103	2.0
375.14450	3.6
489.21237	1.0
683.23492	1.6
701.24554	26.7
702.24921	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	701.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71338	5.3
59.01387	100.0
61.98828	5.7
64.65517	5.5
66.40175	5.7
91.86368	5.5
103.30607	4.2
104.34619	4.5
229.35564	6.1
242.08244	6.5
270.07648	22.6
383.11807	8.7
481.15274	36.9
482.14859	8.2
495.16980	17.8
539.14825	5.9
540.16644	11.1
555.18854	68.9
556.19324	12.1
572.15521	7.4
586.16968	7.2
631.99530	5.8
641.22620	25.6
642.22791	7.9
665.21191	6.9
701.25073	69.5
702.25195	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	701.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47347	0.3
57.68709	0.3
59.01385	4.9
62.84967	0.3
65.00330	0.4
68.45250	0.3
69.16320	0.7
69.16737	1.2
71.01390	3.2
79.95741	2.0
80.33937	0.3
83.01388	0.5
85.02952	1.0
89.02438	2.5
96.96022	0.7
101.02488	1.7
102.40387	0.3
110.00127	0.5
113.02468	2.0
119.03511	1.3
119.05063	0.6
136.98802	0.7
164.98322	1.0
165.01921	0.3
165.05594	0.9
165.98637	0.3
175.04004	0.8
180.04359	0.4
181.99455	0.3
204.10822	0.3
221.97456	0.5
228.98114	0.6
241.05223	0.3
263.09308	0.5
269.04672	0.3
271.02588	0.5
271.09802	0.8
272.10507	0.5
283.02551	0.7
284.03241	1.5
285.04071	2.0
286.04346	0.4
287.12988	2.0
297.11273	0.4
299.05573	1.9
300.10046	0.5
301.10867	1.4
303.12393	0.4
313.14429	0.5
315.08945	0.4
315.12283	1.4
317.10370	0.4
327.12900	0.4
329.13980	0.4
331.11920	0.7
331.15573	1.6
332.12695	0.9
333.13455	3.5
341.09998	0.3
341.13928	0.7
343.11829	0.4
343.16269	0.3
345.13556	2.3
359.11237	1.0
359.15128	4.8
360.15521	0.3
361.13025	1.6
364.99585	0.4
375.14517	1.1
376.15305	2.6
377.16077	100.0
378.16434	4.9
379.01227	1.6
380.01651	0.4
381.01337	0.3
521.20239	2.7
539.21637	0.3
701.26746	18.8
702.26886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	50.8
59.66603	0.8
61.98838	4.3
65.00333	1.1
66.49912	0.8
70.02983	1.6
74.99106	4.0
76.78721	0.9
78.03448	1.1
81.29958	0.9
82.02978	1.3
89.11985	0.8
89.33335	0.9
93.03492	1.0
94.07000	0.9
95.16034	0.8
98.02472	3.0
114.49529	0.9
117.03500	1.0
118.02888	0.9
119.05038	2.4
122.02500	100.0
123.02825	1.9
123.83958	0.8
126.05621	1.7
135.04500	2.1
142.04256	0.9
170.04619	18.0
184.92223	0.9
200.21602	0.9
209.11809	1.8
246.91747	1.1
283.02655	1.5
284.03278	3.9
285.03918	1.5
300.02884	1.3
407.18948	2.5
412.89124	1.3
477.15912	1.0
506.54227	1.0
578.24249	1.3
644.67889	0.9
701.27448	8.6
702.27386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28809	0.5
57.48108	0.4
59.01382	6.7
61.98828	0.8
71.01379	4.0
71.43159	0.5
73.02956	1.8
76.97646	0.4
83.01381	0.7
85.02966	2.1
87.00901	1.1
89.02442	1.4
91.01875	0.9
93.03469	1.0
96.96006	1.3
97.02982	1.2
99.00886	0.8
101.02451	2.2
105.03489	0.5
113.02434	1.7
119.01386	4.6
119.03545	0.6
119.05019	0.9
121.02950	4.2
125.02483	0.6
132.02228	0.9
134.03735	1.2
135.04538	2.5
137.02431	0.6
147.00877	4.1
147.04541	1.4
149.02457	28.4
150.03253	2.6
152.01152	0.7
153.02014	0.5
161.02443	0.8
163.04016	2.3
164.04800	23.7
164.98268	0.5
165.01935	1.6
165.05385	1.5
174.47708	0.5
175.00374	26.3
176.01137	3.7
177.01889	1.7
177.05731	0.7
179.07149	3.0
189.01970	0.9
190.02731	73.4
191.03432	6.1
192.04283	0.7
193.05089	0.6
205.05069	58.9
206.05492	2.7
207.02885	0.5
207.06496	0.6
208.03726	1.2
209.04587	2.3
221.08168	0.8
223.06126	22.6
224.06462	0.6
251.05614	0.6
265.07147	2.2
333.20715	2.3
493.42874	0.6
539.27594	0.6
561.23663	1.1
701.31812	100.0
702.32172	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	702.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03439	1.9
57.67249	0.5
59.01384	31.2
65.00308	0.9
69.03476	0.9
69.81924	2.0
71.01389	28.6
73.02954	9.2
75.26704	0.7
81.03463	0.8
83.01395	4.4
83.75644	0.6
85.02956	12.9
87.00908	2.1
89.02460	6.8
94.02999	3.4
95.01411	2.7
96.73694	0.6
96.95997	1.0
97.02942	1.7
99.00893	3.3
101.02453	23.6
108.02184	39.1
109.02479	0.9
109.67464	0.6
111.00951	1.2
113.02460	19.8
117.27090	0.8
119.03514	3.0
121.02899	0.7
121.76608	0.6
125.02415	3.1
131.03505	1.8
131.05074	0.6
143.03522	4.9
143.05031	2.8
159.03018	2.5
161.04576	11.8
171.04533	9.2
172.05318	5.1
178.50922	0.7
185.04597	0.7
185.06091	0.6
199.04013	5.3
200.04811	37.9
201.05165	1.4
203.05643	1.5
210.33780	0.7
221.06619	3.7
241.08708	1.7
245.06596	0.8
270.04959	0.8
270.07672	1.1
292.75415	0.7
305.08878	0.9
310.17181	0.7
323.09842	1.5
336.12439	100.0
337.12747	7.3
446.22141	0.7
498.17813	1.4
552.94086	0.7
660.23035	16.1
661.24084	1.6
702.23828	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	702.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03445	1.4
58.51819	0.5
59.01385	31.5
65.00336	1.0
69.03457	1.5
69.35323	1.5
69.35711	1.6
71.01388	27.5
72.99289	0.8
73.02953	9.9
81.03437	0.6
83.01388	3.3
85.02965	9.9
87.00890	2.9
88.74300	0.6
89.02453	7.3
94.03006	3.2
95.01384	1.4
97.02956	2.8
99.00887	2.4
101.02453	19.6
108.02187	38.3
109.02486	0.9
111.00901	0.7
113.02460	15.2
119.03477	0.8
125.02444	2.6
131.03502	1.9
143.03537	9.5
143.05025	2.3
144.05792	1.0
147.04425	0.7
147.55284	0.7
156.05792	0.6
159.03041	0.8
161.04581	13.5
171.04536	8.2
172.05310	5.6
185.06157	0.8
199.04010	5.3
200.04805	37.9
201.05225	1.1
203.05617	3.2
221.06709	2.5
241.08771	1.7
245.06699	1.4
263.07840	2.0
269.04398	1.0
305.08908	1.0
323.09900	2.4
336.12439	100.0
337.12747	7.0
368.68274	0.6
423.48315	0.7
498.17642	1.8
638.79065	0.7
642.12469	0.7
642.22247	1.7
660.23029	17.4
661.23358	2.5
702.23480	2.2
714.61102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12872	2.1
61.61462	2.5
61.98828	4.7
65.25845	2.2
69.96397	4.3
69.96722	2.4
71.93107	2.3
75.86019	1.7
80.68888	2.1
122.02497	100.0
124.97266	2.2
132.05667	2.1
178.08797	3.0
191.08432	1.9
212.19116	2.0
216.60011	2.3
283.54379	2.1
397.95178	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	703.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87603	1.0
59.01392	5.2
68.58067	0.9
71.01381	5.1
79.95732	2.9
85.02957	6.8
88.43594	0.8
89.02452	3.2
91.64787	0.8
95.01387	2.6
96.96021	21.9
101.02455	1.6
113.02463	16.1
117.03476	1.0
133.02968	21.5
135.04536	17.4
155.43002	1.0
161.02458	100.0
162.02803	2.1
179.03551	6.1
181.05249	0.8
225.00719	2.0
241.64713	0.8
285.04059	1.5
297.09869	1.3
315.10876	1.5
461.16708	5.3
541.12531	1.8
623.19775	24.9
624.19720	1.2
703.15582	71.6
704.15680	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	703.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01932	0.5
57.03455	1.0
59.01390	5.3
60.51899	0.5
71.01391	6.5
79.95744	2.9
80.96520	1.2
85.02953	6.3
87.63791	0.4
89.02459	2.8
95.01379	2.5
96.96017	22.5
101.02435	1.1
111.93224	0.4
113.02457	15.2
117.03474	0.4
119.03568	0.6
123.04518	1.2
125.02422	0.4
131.17479	0.4
132.02148	1.0
133.02969	21.8
134.03751	0.7
135.04541	18.3
138.97133	0.5
153.05566	0.7
161.02457	100.0
161.11371	0.4
162.02815	1.9
164.98607	0.7
179.03496	5.5
180.40919	0.4
225.00734	1.4
233.04601	0.6
251.05580	1.0
292.24597	0.5
295.55011	0.5
297.09824	0.8
315.10718	2.4
461.16684	5.2
541.12671	1.3
548.31415	0.5
623.19885	18.4
624.20251	1.4
703.15540	54.7
704.15857	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	703.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44932	2.5
57.03453	2.9
59.01389	27.0
65.00314	8.2
68.99827	5.3
69.10358	4.0
69.10759	12.0
71.01382	15.0
71.48672	2.2
75.72064	2.0
83.01391	3.2
85.02943	7.5
85.23552	2.5
87.00881	2.1
89.02467	15.8
93.03475	16.0
95.01394	2.9
98.21903	5.0
101.02455	14.8
106.04244	2.4
108.02177	2.3
109.02950	4.5
110.00082	5.1
113.02460	8.9
117.03479	82.1
119.05036	22.1
122.06121	2.4
128.03519	2.1
135.00879	10.1
135.04561	15.4
136.01656	5.4
136.98865	5.4
143.05023	2.5
145.02942	3.8
147.04489	2.6
151.03940	2.4
152.07182	4.1
156.05905	4.6
158.78381	2.4
159.04544	12.8
161.02405	6.4
161.04570	3.5
161.05968	2.9
161.09753	2.2
165.99037	2.9
171.04495	3.6
175.11247	5.7
183.03033	2.3
183.04491	13.8
185.02533	11.0
187.04022	6.6
199.04027	4.0
200.04765	7.8
201.05624	11.7
211.04102	2.4
215.14359	8.8
217.12325	8.0
227.03506	22.0
228.04433	4.7
229.05045	5.9
231.14035	4.7
233.15344	4.1
235.13426	3.3
243.13959	5.6
250.06281	3.9
253.09247	7.6
255.03026	77.3
256.03506	6.5
259.13480	15.0
261.27948	2.5
275.07129	5.5
277.14450	24.4
283.02542	3.1
284.03305	8.3
285.04028	3.9
285.14856	3.6
287.12915	14.3
305.14041	7.7
311.12833	3.0
329.13907	6.3
377.17673	2.7
387.15973	12.8
398.10229	2.7
403.15323	4.0
405.17093	41.1
421.16501	5.1
431.14719	3.4
449.16000	4.6
513.23694	4.2
523.22009	3.8
533.20062	4.3
541.22906	58.9
565.22803	9.3
593.07825	2.4
595.25421	4.7
631.27521	4.4
641.26233	27.0
642.25940	4.1
657.25586	22.9
658.26062	3.2
659.26910	9.5
685.25061	100.0
686.25208	9.9
703.26050	98.7
704.26520	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	703.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56282	1.9
50.68371	2.0
51.00006	2.0
52.50350	1.9
59.01380	21.6
62.11899	2.3
69.38368	12.0
71.01389	13.1
73.02928	2.8
83.01394	6.5
85.02954	5.8
87.00889	3.6
89.02472	9.8
92.62843	2.0
93.03474	42.1
101.02438	14.3
106.04285	2.5
110.29229	2.6
113.02477	7.6
117.03478	79.4
119.03571	2.6
119.05031	8.5
122.02531	4.6
125.02412	3.0
132.05809	2.6
135.00911	4.3
135.04532	6.4
136.01677	3.5
136.98840	2.2
137.02466	50.8
148.05330	2.5
159.04549	8.2
161.02428	2.8
161.04619	3.0
175.04012	2.9
179.05646	2.4
183.04506	10.0
185.02522	3.5
187.04016	4.6
196.02553	4.6
199.04021	4.2
200.04828	9.3
201.05583	10.6
211.13341	2.9
215.14505	3.3
221.06107	5.8
227.03500	14.1
236.04816	3.4
250.06412	8.3
255.03006	35.5
259.13406	7.6
261.05603	2.7
267.14047	2.9
275.07059	3.5
277.14465	13.5
284.03220	3.6
285.15146	3.6
286.04568	2.6
287.12830	6.1
305.13834	3.2
311.12860	6.6
329.13992	9.3
361.17987	3.8
377.17578	8.9
387.16122	10.0
395.18411	2.6
403.15930	3.4
405.17014	28.7
406.17575	3.4
421.16086	4.5
423.18073	6.9
449.16022	3.6
541.22992	27.8
542.22943	3.5
565.22980	22.2
631.27710	9.6
641.25903	14.9
657.25958	10.7
659.27130	10.1
685.25055	100.0
686.25439	10.8
703.26349	69.6
704.26715	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	703.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80052	2.6
57.03433	3.3
59.01382	31.6
61.98819	11.6
65.00334	5.7
67.01894	3.6
71.01382	20.3
73.02941	5.6
78.81671	3.1
83.01440	3.5
85.02959	8.4
85.34442	2.7
89.02458	9.2
93.03472	16.3
96.96008	6.1
101.02448	9.5
111.00896	3.3
112.96654	3.4
113.02445	8.7
117.03478	74.1
119.05017	10.5
121.05333	3.4
122.06127	5.2
133.02946	3.5
133.06540	3.9
134.03748	3.5
134.06134	3.8
135.00868	6.8
135.04523	10.3
145.02933	4.2
148.05330	4.3
159.04471	9.3
161.02422	6.0
161.04590	3.5
174.03220	3.0
175.03990	4.4
175.11273	3.7
183.04514	7.8
185.02414	4.2
187.06364	3.0
190.05034	4.7
199.04085	3.6
200.04785	7.3
201.05629	10.0
202.08737	10.5
215.14301	4.0
221.06200	3.1
227.03566	16.8
228.04227	3.9
228.13976	5.6
231.14026	3.3
241.09880	21.6
250.06361	7.8
255.02975	37.4
256.12146	13.1
259.13385	8.9
271.14542	32.4
275.07312	3.5
277.14468	9.6
279.08759	8.2
283.02545	4.1
284.03317	4.6
285.14960	3.6
311.12906	7.7
315.13550	27.3
329.13861	15.0
355.13086	25.0
377.17572	8.8
387.16006	8.0
405.17163	25.5
406.17450	3.6
421.16470	4.4
423.17871	5.1
431.14832	3.2
449.15878	4.6
514.09167	3.1
541.23120	27.1
565.23065	16.0
631.27795	14.9
641.25775	12.8
657.25421	10.0
659.26965	20.2
685.14520	3.6
685.24945	100.0
686.25049	8.5
703.25879	68.9
704.26764	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	703.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.6
59.43958	2.5
61.98830	7.2
63.63967	2.3
65.00338	4.1
71.01392	15.7
71.44001	2.3
73.02944	3.2
83.01406	4.5
85.02979	4.9
87.00858	2.3
89.02454	9.6
93.03475	16.5
95.01402	3.0
96.96017	2.8
101.02453	12.1
113.02467	9.2
117.03481	77.9
119.03430	3.0
119.05038	11.5
121.02859	2.5
121.05353	4.5
122.06153	9.6
125.02398	2.3
135.00931	5.7
135.04549	10.6
136.98825	5.1
137.02481	2.2
137.03535	2.4
145.03027	4.5
152.07185	7.9
155.31174	2.3
159.04543	9.5
161.02437	4.6
171.04507	2.9
174.03308	3.6
183.04541	7.5
185.02463	4.0
187.03973	2.8
190.05057	5.5
199.04063	4.2
200.04880	7.1
201.05527	8.4
201.43835	2.1
202.08778	14.4
203.44855	2.2
215.14482	4.0
221.06082	4.0
226.07471	4.4
227.03561	13.4
228.13956	7.3
229.05052	4.4
231.13936	3.9
236.04976	2.4
241.09836	27.4
243.11461	2.7
250.06364	6.9
253.09375	3.9
255.02985	43.3
256.03540	4.6
256.12253	19.2
257.04562	4.2
259.13477	8.9
261.05441	4.8
271.14542	44.4
275.07117	5.9
277.14468	11.3
279.08844	4.6
284.03140	4.2
285.14929	3.4
287.12909	3.1
311.12863	9.3
315.13565	24.8
329.14139	12.6
355.13016	37.0
356.13525	3.1
359.16360	3.2
377.17538	7.5
387.16199	14.9
403.15738	3.6
405.17050	30.6
421.16519	5.6
423.18158	6.2
431.14902	3.8
449.15848	6.1
541.22894	27.7
565.22900	23.2
595.25604	6.2
631.27490	12.3
641.26343	20.7
657.25879	10.1
659.26862	13.1
685.25012	100.0
686.25098	13.5
703.26031	63.4
704.26392	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	703.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93101	2.6
57.03468	3.7
59.01385	30.8
60.46516	2.5
65.00332	6.3
66.16294	2.4
67.01910	3.7
67.14502	2.6
71.01386	16.4
71.31976	2.7
73.12306	2.8
75.88285	2.4
78.63976	2.3
83.01385	5.2
85.02955	6.1
89.02443	10.5
93.03464	12.1
95.01392	4.7
96.96037	3.5
98.21911	7.1
101.02441	10.7
109.02924	4.2
110.00094	5.4
111.00797	2.7
113.02457	10.5
117.03481	86.9
119.03538	3.6
119.05059	19.8
135.00902	10.6
135.04564	16.9
136.01674	3.6
136.98801	3.8
137.02466	2.9
143.05032	3.5
145.02963	3.0
148.05304	3.0
152.07184	4.5
158.03806	3.7
159.04530	8.9
161.02460	6.9
164.98224	3.1
171.04501	3.7
172.05333	4.3
175.11209	4.5
176.90172	2.7
180.49187	2.4
183.04497	9.7
185.02435	7.8
187.04045	5.0
199.04037	5.4
200.04759	4.4
201.05592	10.1
211.04135	2.7
213.02013	2.7
215.14474	5.0
217.12334	3.0
227.03534	17.0
228.04214	5.2
229.05058	7.6
233.15523	3.4
241.12419	3.4
243.14017	4.4
253.09232	4.0
255.03006	63.9
256.03580	6.7
259.13391	14.5
275.07129	6.3
277.14429	28.2
284.03192	4.3
285.03983	3.9
287.12872	10.5
305.13928	7.3
329.13763	7.7
387.15961	11.0
403.15625	5.5
405.17114	36.8
423.18024	2.9
513.23669	5.4
523.22046	3.2
541.22980	52.1
565.23004	7.2
595.26318	3.0
606.72083	3.5
641.26068	22.4
657.25586	27.1
658.26349	3.4
659.26868	6.0
685.24976	77.5
686.25159	9.8
703.26172	100.0
704.26215	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	703.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.2
61.98827	2.1
65.00342	1.6
69.54313	5.9
71.01378	7.0
73.02955	2.0
73.47172	1.5
76.66075	1.3
79.28280	1.3
80.18702	1.5
85.02962	2.8
95.01409	2.0
96.96027	1.8
101.02440	2.9
113.02445	4.5
117.03494	1.8
119.01373	1.4
119.05051	7.1
121.02982	12.4
122.02507	7.9
130.38280	1.3
132.02148	2.6
135.04556	4.9
147.00868	1.7
147.04544	4.9
149.02452	74.9
157.85129	1.3
161.04520	2.1
163.04010	2.9
164.04811	53.4
170.04546	1.7
175.00406	14.6
176.01183	3.0
179.07193	4.1
190.02728	44.7
191.03416	5.5
192.36263	1.4
205.05070	51.2
206.05710	3.2
209.04616	2.5
221.08157	2.2
223.06136	100.0
224.06441	3.8
251.11313	1.9
265.07242	7.3
285.03992	2.1
286.04480	1.7
291.23355	2.6
295.08121	2.7
325.09412	2.2
335.22305	7.5
367.10349	13.8
497.27597	6.3
542.35620	1.6
591.88086	1.6
659.34393	32.7
660.35095	2.2
698.34259	1.7
703.33447	24.0
704.34253	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	703.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38177	1.0
57.03456	1.2
59.01381	11.3
59.20985	0.7
65.00319	1.0
66.01122	0.7
69.03467	0.8
70.50635	1.2
71.01014	1.5
71.01382	15.4
73.02942	2.5
80.63316	0.7
81.31649	0.7
83.01395	1.1
85.02961	10.5
87.00859	0.8
89.02466	4.1
93.03481	1.5
95.01409	2.1
99.00867	1.1
101.02453	5.6
113.02470	10.8
116.92862	6.2
117.03487	3.0
118.75794	0.8
119.01374	2.2
119.03522	2.1
119.05038	3.3
121.02964	11.7
132.02148	1.3
134.03728	0.9
135.04549	3.0
147.00919	1.9
147.04495	5.5
149.02455	73.7
150.02924	1.3
152.01157	0.8
161.04575	3.4
163.04054	2.1
164.04810	64.5
165.01971	1.1
165.05336	1.2
165.99135	0.9
166.62477	0.8
175.00400	14.5
176.01111	3.9
177.05667	1.2
179.05618	1.7
179.07086	7.7
190.02733	42.4
191.03481	4.6
193.01498	1.4
205.05077	49.2
206.05450	1.5
208.03789	7.0
209.04587	1.9
209.11827	2.7
221.08231	1.2
223.06131	100.0
224.06511	2.6
225.11339	1.3
247.06133	1.3
265.07190	2.8
273.22641	1.0
284.03186	1.1
291.23416	5.4
335.22400	2.9
367.10382	3.1
405.17093	1.2
411.12189	1.0
453.28986	1.2
479.26303	5.8
497.27740	15.1
659.35095	7.9
685.25891	1.0
703.33496	51.5
704.34161	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86258	12.0
54.95502	13.2
58.02850	12.4
69.19791	74.6
69.66091	11.8
80.20211	12.6
92.77243	12.7
96.96019	33.5
128.66660	11.7
192.94370	10.6
228.62518	12.7
261.93335	12.4
293.17999	100.0
338.87997	12.5
400.55240	12.0
484.10422	12.9
557.75879	12.5
608.72003	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	703.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94795	16.9
58.65859	15.0
68.88546	17.7
69.29028	100.0
78.62720	15.1
78.75245	16.9
235.95354	18.1
297.23300	19.2
315.56808	19.1
333.50299	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	704.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.0
59.85666	0.6
61.98835	100.0
68.38158	0.6
98.22698	1.6
100.83965	0.7
102.35983	0.7
103.94118	0.7
376.44846	0.8
413.42386	0.8
414.72229	0.8
439.17441	0.9
519.29785	0.8
545.43671	0.8
558.19336	1.5
644.23810	0.9
704.24817	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	705.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48322	1.2
55.98534	1.1
59.01381	3.9
65.00341	1.7
67.01890	1.2
69.00358	1.1
70.12996	3.5
71.01380	5.7
73.02930	1.4
74.65390	1.2
81.03483	1.8
85.02950	2.0
87.00895	1.4
91.01894	1.5
96.96029	3.2
101.02468	3.3
107.01398	1.7
108.02189	7.0
109.02982	4.3
111.81642	1.2
112.38274	1.1
113.02462	1.7
123.04544	9.6
125.02493	2.2
136.98804	5.0
139.63188	1.5
151.00385	4.8
152.01219	9.6
153.01956	6.0
161.02429	1.4
164.98384	6.0
167.03500	29.9
181.05075	1.8
183.04512	4.0
185.02586	1.6
209.04579	2.9
211.04007	3.6
238.20461	1.4
255.03043	17.9
269.04434	3.4
283.02499	82.4
284.02997	7.5
296.05478	2.6
297.03979	10.2
298.04840	90.7
299.05243	5.3
311.07898	11.1
313.07187	46.2
314.07446	2.7
318.60071	1.3
339.12424	1.2
391.03366	2.4
625.15686	100.0
626.15851	10.6
705.11389	37.8
706.11243	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	705.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32966	2.0
57.03450	3.7
59.01371	6.8
61.10675	2.0
69.24960	8.4
73.02921	5.0
81.03466	7.6
83.01404	2.7
96.96018	3.0
97.03008	4.1
99.04568	2.6
101.02443	4.6
102.11000	2.3
105.03506	2.5
108.02174	5.9
109.02966	39.8
114.26334	2.0
121.02959	7.5
125.02464	34.2
135.00897	2.3
137.02464	27.1
138.03159	2.4
139.04004	3.1
140.17914	2.5
148.01619	2.8
149.02455	51.3
161.02405	5.2
163.00421	7.8
164.01166	12.8
165.01936	41.7
166.02707	17.0
167.03529	35.3
170.55580	2.3
170.57042	2.3
174.03166	3.2
175.04001	16.5
176.01155	6.3
177.01927	4.9
187.04158	3.0
190.99916	16.0
191.03558	4.2
192.00745	13.4
193.01431	88.4
194.01704	2.7
199.04068	16.1
201.01973	4.1
206.92081	3.9
211.03999	2.6
213.05586	2.8
216.04399	2.2
217.05038	15.6
223.04158	11.6
239.03488	3.0
240.04292	2.7
241.05130	23.7
243.03040	8.6
257.04636	3.1
267.03006	87.5
279.86649	2.2
284.03238	15.3
285.04071	67.0
286.04401	3.8
303.05087	11.5
306.84113	2.5
309.04044	5.8
354.06329	2.3
355.06595	6.8
359.67429	2.3
371.09821	19.5
381.08267	9.9
392.58533	2.1
397.07788	55.3
416.05597	1.9
447.09341	19.7
448.09494	2.6
465.10449	15.0
489.10492	44.1
507.11517	100.0
508.11899	7.6
531.11938	2.9
559.12909	16.5
659.55347	2.3
669.16779	49.6
669.27576	3.1
670.17010	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	705.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65255	0.1
69.12305	0.9
69.17303	0.2
71.01395	0.2
75.25549	0.1
78.95911	4.3
79.95743	3.4
86.42458	0.1
90.74022	0.1
92.57478	0.2
96.96023	100.0
96.96914	5.8
97.95933	0.3
101.02467	0.1
113.02480	0.1
200.18291	0.1
255.97198	0.1
299.55814	0.1
334.49451	0.1
352.26288	0.2
367.07214	0.2
607.22400	0.9
645.17303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21128	1.4
59.01379	12.2
61.98826	5.6
65.00320	1.4
68.99799	1.6
79.52971	1.6
81.03449	9.7
82.02996	2.0
83.01395	17.7
96.96005	7.0
100.40660	1.6
101.02454	2.2
104.05077	2.7
121.02990	1.6
122.02480	1.8
122.29270	1.4
123.03278	3.9
123.04525	4.5
124.04069	10.0
134.02486	4.8
135.03264	6.0
136.00337	2.3
137.06088	3.2
138.02007	3.1
148.01646	1.6
148.04044	5.9
149.02435	4.5
150.01996	8.2
150.02995	1.3
151.02744	3.7
156.06639	4.3
163.03993	2.4
165.05588	19.2
165.93106	1.6
166.05080	7.3
181.05124	1.9
190.59550	1.6
191.03615	1.5
192.03008	11.2
198.07707	26.3
207.02930	2.0
210.04181	2.8
224.05624	47.5
225.05872	1.7
228.06548	1.8
242.08232	41.2
259.36871	1.5
269.04468	3.2
269.07056	1.9
270.07733	100.0
271.08029	3.9
279.80917	1.4
330.48080	1.5
335.10266	3.2
353.11356	5.3
463.11386	4.0
477.13232	3.4
577.79230	1.6
609.15417	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.4
65.99839	2.1
66.51305	2.0
73.02943	3.0
74.87657	1.9
81.03460	20.6
81.12048	1.7
82.02985	6.4
83.01390	57.6
85.34908	1.9
95.01414	2.1
98.22689	4.8
99.00898	3.1
106.03007	1.9
110.02456	1.9
113.83713	2.2
115.04027	13.2
120.94173	1.7
123.03239	2.9
123.04526	13.5
124.04050	28.1
134.02477	6.1
135.03310	6.6
136.00446	4.6
138.01976	7.0
140.04590	1.9
148.04134	2.2
149.02457	3.4
151.02753	5.9
156.06665	7.0
159.03033	3.0
165.05640	3.8
166.05110	14.4
168.03064	1.9
171.04495	2.6
188.80476	2.3
192.03073	6.4
194.04469	2.5
198.07730	43.1
210.04097	7.8
228.06660	2.7
236.01886	2.2
242.08276	43.8
247.06097	4.5
268.06207	4.6
269.04480	3.5
270.07721	100.0
271.08246	2.8
282.07501	2.5
300.08725	3.2
326.06995	2.1
335.10217	2.7
353.11462	16.6
407.08759	16.0
522.11975	2.5
544.10437	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	705.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26181	0.7
53.46267	0.7
55.01875	2.2
57.03448	4.7
59.01383	100.0
60.40412	0.7
60.77974	0.7
62.04190	0.7
65.00321	1.3
65.14096	0.7
65.85320	0.7
66.41950	0.8
69.03461	2.2
69.97379	2.7
71.01387	27.2
72.99316	1.3
73.02953	16.3
74.13409	0.8
74.85826	0.7
82.11588	0.8
83.01403	6.8
85.02956	15.8
87.00880	3.0
89.02452	6.2
95.01405	3.1
96.96018	10.9
96.97555	0.7
97.02987	3.8
98.22554	1.0
99.00889	4.6
100.00413	1.6
101.02453	24.7
109.02975	1.2
111.00886	1.6
112.01687	1.1
113.01720	1.5
113.02460	21.1
119.03523	3.3
125.02447	7.6
129.01909	0.8
133.80011	0.9
136.98779	1.0
141.01974	0.9
143.03502	7.0
149.04591	1.0
155.03508	1.1
158.02867	2.1
159.02974	1.5
161.04556	7.6
167.03513	1.1
209.15497	7.8
221.06723	1.2
239.03484	1.8
241.05116	1.9
259.03903	3.7
267.02896	1.0
269.04578	5.3
285.95401	0.8
287.07736	1.0
301.01724	5.4
302.02441	1.2
303.03302	3.0
305.17603	1.6
353.19785	3.8
371.20724	10.5
413.21942	5.9
414.21796	1.3
497.23956	2.0
515.25043	22.2
516.25635	1.4
529.09186	2.7
533.25983	11.7
557.26172	10.5
575.27142	53.2
576.27258	4.2
586.36292	1.0
617.28168	16.2
618.28033	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	705.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
59.01373	4.8
61.66733	0.6
61.98848	1.1
65.03979	0.7
67.01903	0.9
69.03467	1.2
69.33506	3.6
71.01383	3.2
83.01397	1.1
83.05028	0.8
85.02968	1.0
89.02455	2.3
93.03467	7.8
95.01402	0.8
95.05035	1.7
95.35635	0.8
96.95997	1.3
101.02437	2.6
108.02182	0.9
109.02952	1.1
113.02440	1.5
116.92867	1.0
117.03480	36.1
118.03809	0.9
119.05006	2.3
121.02972	1.3
127.43577	0.7
132.85703	0.9
133.02986	1.6
134.03574	0.9
135.04526	2.5
137.02434	2.6
139.11263	0.8
143.05022	0.8
145.02972	1.2
147.04477	1.0
159.04541	2.0
161.02475	2.6
165.01938	1.0
171.04495	0.9
185.06055	1.7
185.11873	0.9
187.03957	1.6
199.03964	0.8
201.05562	3.7
205.12450	0.8
211.04083	0.8
211.13374	3.1
213.05589	1.9
221.11819	1.4
223.13403	1.2
227.07085	2.0
229.05153	4.7
231.10452	0.7
237.05522	1.3
237.14885	1.0
239.03455	1.3
239.07161	2.0
239.13008	0.8
239.85001	0.8
240.04398	1.7
241.05054	3.7
245.11858	1.6
250.06194	0.9
253.09308	1.1
255.06677	1.3
257.04605	6.5
263.12894	4.7
265.05188	1.3
266.05811	1.4
267.06549	1.8
268.03757	2.6
271.13516	1.1
279.15933	1.5
287.12982	1.7
289.14404	3.4
295.13461	0.9
301.03580	9.5
307.15744	0.9
313.14447	1.6
319.17337	1.1
361.14276	0.9
363.15970	1.4
371.16641	0.9
377.74371	0.7
379.15109	1.6
381.17102	1.2
389.13864	1.4
395.14911	1.5
405.16983	1.9
407.14722	4.2
423.18204	2.1
425.35617	0.9
433.16510	2.5
451.17615	2.6
463.76001	0.7
469.18692	2.6
499.21851	1.0
507.24551	0.9
543.24762	2.1
643.23529	1.8
659.26996	1.8
661.25031	1.6
687.26813	11.3
694.01703	0.8
696.49200	0.9
705.27698	100.0
706.28168	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	705.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
59.01373	4.8
61.66733	0.6
61.98848	1.1
65.03979	0.7
67.01903	0.9
69.03467	1.2
69.33506	3.6
71.01383	3.2
83.01397	1.1
83.05028	0.8
85.02968	1.0
89.02455	2.3
93.03467	7.8
95.01402	0.8
95.05035	1.7
95.35635	0.8
96.95997	1.3
101.02437	2.6
108.02182	0.9
109.02952	1.1
113.02440	1.5
116.92867	1.0
117.03480	36.1
118.03809	0.9
119.05006	2.3
121.02972	1.3
127.43577	0.7
132.85703	0.9
133.02986	1.6
134.03574	0.9
135.04526	2.5
137.02434	2.6
139.11263	0.8
143.05022	0.8
145.02972	1.2
147.04477	1.0
159.04541	2.0
161.02475	2.6
165.01938	1.0
171.04495	0.9
185.06055	1.7
185.11873	0.9
187.03957	1.6
199.03964	0.8
201.05562	3.7
205.12450	0.8
211.04083	0.8
211.13374	3.1
213.05589	1.9
221.11819	1.4
223.13403	1.2
227.07085	2.0
229.05153	4.7
231.10452	0.7
237.05522	1.3
237.14885	1.0
239.03455	1.3
239.07161	2.0
239.13008	0.8
239.85001	0.8
240.04398	1.7
241.05054	3.7
245.11858	1.6
250.06194	0.9
253.09308	1.1
255.06677	1.3
257.04605	6.5
263.12894	4.7
265.05188	1.3
266.05811	1.4
267.06549	1.8
268.03757	2.6
271.13516	1.1
279.15933	1.5
287.12982	1.7
289.14404	3.4
295.13461	0.9
301.03580	9.5
307.15744	0.9
313.14447	1.6
319.17337	1.1
361.14276	0.9
363.15970	1.4
371.16641	0.9
377.74371	0.7
379.15109	1.6
381.17102	1.2
389.13864	1.4
395.14911	1.5
405.16983	1.9
407.14722	4.2
423.18204	2.1
425.35617	0.9
433.16510	2.5
451.17615	2.6
463.76001	0.7
469.18692	2.6
499.21851	1.0
507.24551	0.9
543.24762	2.1
643.23529	1.8
659.26996	1.8
661.25031	1.6
687.26813	11.3
694.01703	0.8
696.49200	0.9
705.27698	100.0
706.28168	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	705.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.6
62.92094	0.6
69.22005	4.1
71.01386	4.3
73.02943	0.8
81.03486	0.6
83.01422	0.8
85.02954	1.7
89.02462	1.6
93.03468	6.9
95.05036	1.0
101.02429	3.8
107.05013	0.6
113.02485	1.6
117.03479	31.5
119.03472	1.0
119.05027	1.7
135.04535	3.0
137.02438	1.7
143.04982	0.6
145.02977	0.9
157.10544	0.6
159.04500	2.2
161.02435	2.8
161.04506	0.6
167.03513	1.0
169.06595	0.8
171.04541	0.9
185.06116	2.0
187.04018	1.6
189.05652	0.9
199.04066	0.9
201.05551	2.2
201.12816	1.0
203.00369	0.6
211.13408	2.9
213.05600	1.0
215.03545	0.7
219.14235	0.6
221.11899	0.9
222.06792	0.7
223.13376	1.3
227.07146	1.6
229.05042	3.1
231.10216	0.9
237.05637	0.9
239.03464	0.7
239.07056	1.1
241.05067	2.8
245.11839	1.1
249.11082	0.8
253.05099	1.4
253.09299	1.8
255.06628	2.6
257.04581	5.7
258.04993	0.6
261.15103	0.8
263.12909	2.1
267.06653	2.5
268.03680	0.7
271.13580	1.2
279.15805	0.9
287.12881	1.0
289.14459	1.8
313.14270	1.1
317.15567	0.6
360.98645	0.6
361.14499	1.0
363.15866	1.9
377.13840	1.2
379.15344	1.2
389.13745	1.6
395.14694	0.9
405.17105	1.7
407.14777	3.8
415.15796	1.1
423.18155	1.2
433.16528	2.7
451.17648	2.5
469.19034	1.0
543.24072	1.4
549.38129	0.7
643.24493	2.2
658.65643	0.8
659.28040	0.7
661.25800	1.6
687.26569	6.9
705.27722	100.0
706.28040	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	705.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08292	1.5
59.01387	100.0
61.98824	6.6
69.42928	8.4
71.01025	2.6
71.01393	45.7
72.99318	2.4
73.02955	15.2
78.25837	1.5
82.80836	2.0
83.01380	5.7
85.02937	9.8
87.00868	3.8
87.51098	1.6
88.55682	1.4
89.01939	3.3
89.02457	39.8
93.03455	2.2
95.01388	2.2
99.00884	2.1
101.02457	26.1
113.02464	24.9
117.03500	2.4
119.03526	18.8
119.05040	7.3
119.17583	1.7
125.02467	3.0
131.03577	2.7
135.04514	6.1
143.03484	6.1
145.02959	2.6
149.04564	2.1
161.04614	9.4
161.05853	1.7
165.12906	1.9
167.20081	1.8
179.05626	14.8
183.13904	3.9
195.13945	14.4
209.11882	5.4
213.14970	4.9
240.00696	1.8
259.13141	1.8
279.12491	3.3
304.55832	2.2
357.19202	37.8
375.20325	14.5
389.91275	2.1
399.20242	15.6
417.21338	21.5
515.20929	5.9
661.34723	8.4
673.23126	2.9
673.34601	3.6
693.35883	1.8
705.26251	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	706.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06759	0.5
59.01391	7.9
69.09768	3.3
72.94935	0.5
75.71459	0.5
78.03510	1.4
113.02455	3.7
120.04567	0.6
121.83581	0.5
122.02494	100.0
123.02849	1.1
136.04063	3.7
140.11156	0.6
146.02451	2.7
150.05606	0.5
170.92624	0.5
213.16493	0.5
255.17506	1.2
319.80777	0.5
327.16101	1.2
343.08621	0.5
382.96024	0.5
450.19250	2.2
468.20538	0.5
485.56125	0.5
573.22473	19.4
574.23035	1.3
591.23572	7.0
637.12476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33613	2.9
58.23269	2.6
59.01374	8.7
60.93808	3.0
61.98820	4.7
69.21076	12.7
69.21490	6.7
77.33432	2.4
87.32898	2.6
113.02457	3.2
117.05588	28.4
122.02496	100.0
141.05586	4.4
159.06622	9.7
168.67888	2.5
213.16515	3.7
255.17514	5.2
271.38837	2.9
327.15836	3.3
335.17261	3.2
389.27139	3.1
610.26636	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	707.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54495	0.5
59.01389	2.8
61.98820	0.6
70.04069	1.7
71.01400	2.7
78.91898	0.5
81.91779	0.6
89.02448	1.7
89.82199	0.5
95.14265	0.5
101.02486	0.6
101.03957	1.2
108.02197	1.2
117.03526	0.8
123.04538	0.8
124.04849	0.6
133.22171	0.5
136.98808	0.7
145.02975	2.6
147.04524	8.9
149.02481	1.6
161.02463	1.3
161.74120	0.5
164.04802	1.7
164.98311	1.6
167.03490	1.2
173.02454	10.9
189.01961	15.1
197.47954	0.5
199.00426	0.5
207.08124	0.6
217.06493	0.7
218.07271	0.5
223.06128	2.8
235.07599	0.6
245.06056	0.8
246.06880	1.2
247.07642	5.9
255.02937	1.0
263.07037	1.6
269.04480	1.5
277.05203	0.7
283.02533	4.5
284.02917	1.5
285.03101	1.1
291.06656	27.0
292.07053	1.1
298.04834	5.0
299.05127	1.9
300.05487	1.8
301.05087	6.4
313.07144	1.9
314.07657	0.7
315.07828	0.7
319.06137	45.7
320.06537	1.9
331.06290	0.6
349.06961	1.0
439.10361	100.0
440.10638	4.1
581.68231	0.5
625.15759	3.1
627.16174	5.9
707.11664	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	707.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08599	0.3
54.22136	0.3
59.01362	0.4
72.01223	0.3
73.02948	0.3
100.56305	0.3
103.05518	0.7
117.03495	1.5
119.05056	1.0
119.13580	0.4
145.02969	2.9
147.04538	20.4
148.04926	0.5
161.02470	1.1
163.04039	1.3
164.98422	0.4
173.02466	7.4
176.01175	0.4
189.01993	3.8
203.03572	0.5
217.01469	1.3
219.08344	0.4
247.07861	0.4
262.06158	0.4
263.07126	1.3
267.06863	0.7
269.04517	0.4
277.04941	0.5
290.05856	1.1
291.06653	5.2
293.08295	0.4
295.06046	0.5
309.07773	0.4
311.88321	0.3
318.05328	0.4
319.06131	100.0
320.06418	4.1
323.05692	0.7
325.07193	0.3
335.05667	0.3
349.07138	0.7
353.06552	0.4
379.08517	0.4
439.10373	38.4
440.10809	1.9
451.10733	0.4
559.14429	2.1
674.38654	0.4
707.19672	4.5
708.19275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34041	0.5
59.01383	6.7
60.55043	0.6
71.01391	3.5
73.02942	2.1
73.91103	0.6
86.63512	0.8
89.02454	1.6
99.00879	3.9
101.02450	1.8
113.02446	1.9
115.43630	0.6
117.03471	1.2
119.05022	2.1
121.02968	9.3
121.83328	0.6
125.66976	0.6
132.02165	1.2
135.04533	1.7
147.04517	2.9
149.02457	58.6
150.02785	1.5
160.01599	1.5
164.04808	46.8
165.05109	1.5
175.00343	3.0
175.03952	1.5
179.07129	5.0
185.11816	1.5
190.02763	6.9
193.04990	0.8
205.05087	9.3
208.03786	1.9
209.11841	2.2
209.47879	0.7
223.06134	100.0
224.06439	3.2
251.16618	1.2
309.20917	0.7
351.98529	0.8
372.93787	0.8
397.14575	1.7
457.16891	1.0
503.33707	2.1
663.22858	2.2
671.30804	2.7
675.32684	1.2
707.35291	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	707.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54025	1.5
59.01381	6.5
60.99315	19.2
61.98827	1.9
68.45023	1.6
72.94835	1.6
74.07058	1.9
77.26888	1.7
78.95923	2.1
87.00869	6.3
88.00427	2.9
88.98817	100.0
89.02455	76.9
107.95033	1.7
109.07088	1.8
120.01514	1.7
122.02446	3.4
134.49039	1.7
154.66550	1.5
279.23145	2.1
334.08914	1.7
346.96719	1.6
500.16028	1.7
508.66809	1.6
624.08868	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	707.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	9.3
65.00322	7.1
69.14082	13.5
69.14508	22.8
71.01414	5.3
96.96015	13.0
110.69060	4.9
111.54446	4.7
119.05053	9.7
142.78604	5.4
156.19658	4.7
160.01657	5.6
161.04561	5.6
162.88237	4.9
164.98364	10.8
175.04077	7.2
191.03104	5.3
241.05179	5.6
284.03189	7.1
285.01147	10.2
285.04062	100.0
371.15125	11.4
627.10895	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	708.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.7
61.98837	100.0
62.80263	0.6
67.63277	0.7
74.02496	1.3
76.34621	0.6
76.90262	0.6
80.05079	1.6
83.41954	0.6
91.32245	0.7
93.73564	0.6
97.04056	0.8
98.02557	0.8
99.05659	1.5
108.04620	0.8
115.02285	1.0
118.17268	0.6
119.05044	1.0
122.02425	0.8
123.05695	0.8
125.03544	1.0
126.21122	0.6
139.80119	0.6
143.04703	1.1
145.02962	1.0
151.30276	0.7
153.50317	0.9
177.05586	1.0
229.28242	0.7
235.07657	2.5
237.05591	0.9
251.07205	2.4
263.07266	1.5
279.06619	18.7
290.06006	1.0
291.06665	10.9
292.07434	3.9
293.08298	1.4
294.09036	3.0
305.08289	1.6
306.05618	0.7
306.09015	12.0
307.06177	34.6
307.09555	2.2
308.06534	1.9
321.07709	1.9
322.08484	22.8
329.76993	0.7
337.10846	91.0
338.11212	4.3
341.14154	0.7
505.21210	1.2
690.27112	2.4
708.28290	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	708.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.1
61.98825	2.5
65.00329	5.4
65.99845	1.7
68.37679	1.6
68.99831	2.3
75.56989	1.8
93.03466	8.3
96.96005	4.6
98.53134	2.1
110.02523	2.4
117.03484	4.0
119.05032	15.6
135.03333	2.7
135.04507	2.0
136.00423	4.9
138.01968	3.0
145.02968	7.4
151.00351	2.6
160.01688	3.3
161.02390	2.5
163.99924	2.6
164.03563	1.9
165.00595	2.0
171.04527	6.4
187.00507	3.2
192.03079	2.9
201.01976	3.8
221.05890	1.8
225.05624	2.7
229.01451	3.8
232.36128	2.0
240.06740	3.5
242.02443	3.0
242.08223	15.0
253.05020	2.0
255.06665	6.8
261.05502	3.8
263.07077	4.5
264.06671	2.0
268.06052	12.0
269.04520	4.6
270.07721	29.8
278.05869	2.0
280.06262	3.1
289.05112	6.3
290.05881	2.1
291.06436	9.3
292.09988	3.2
293.08212	3.4
294.07886	2.7
300.05099	2.4
305.04541	4.5
306.04776	2.1
306.07794	6.0
319.06140	5.4
320.05658	2.9
333.03918	6.1
333.07718	15.7
374.10327	3.3
409.10797	6.7
414.10062	2.3
421.11243	2.4
429.08752	2.5
437.10336	100.0
438.10287	9.8
439.11841	24.7
446.31995	2.2
482.12506	6.5
494.11771	2.5
520.10223	2.1
522.12201	2.0
560.13202	5.3
561.14423	2.5
562.14966	7.2
602.14673	7.9
646.18634	2.1
664.19775	5.3
690.17712	10.4
708.18726	58.1
709.19330	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	708.288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89484	0.2
59.01379	0.5
60.24002	0.2
61.26603	0.2
61.98836	100.0
65.94264	0.2
71.01402	0.3
71.43131	0.2
84.95152	0.3
88.21474	0.2
93.03469	0.3
96.96032	1.5
101.02455	0.3
119.05050	0.2
125.80160	0.2
126.90361	0.2
137.02538	0.2
138.02676	0.2
159.73932	0.2
167.03572	0.9
191.07199	0.2
213.05733	0.2
227.01109	0.2
645.29181	1.4
664.31354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.7
65.00340	1.8
69.68362	1.3
71.01407	3.2
78.95934	1.1
85.02950	2.9
89.02464	1.4
96.96021	2.5
99.00925	1.2
113.02456	2.6
116.84380	1.4
119.98080	1.4
136.98840	6.3
159.04277	1.2
163.00415	2.4
165.01897	3.1
186.03235	1.9
187.03897	1.7
191.03514	2.4
199.05643	1.6
200.04950	1.6
211.04021	2.3
214.02692	1.8
215.03516	10.6
226.02701	1.5
227.03387	1.6
233.04588	3.1
237.01859	1.3
239.03552	2.8
240.04269	2.8
255.02982	26.1
256.03647	2.5
264.18347	1.3
269.04651	1.5
283.02496	84.1
284.03244	41.1
285.03891	4.6
297.04077	4.8
299.05597	20.7
301.03571	2.4
309.03940	1.4
313.07123	1.7
336.32007	1.4
341.06714	3.2
383.07480	1.5
419.09927	5.1
427.74570	1.5
461.10968	15.0
462.11215	1.7
487.08899	3.0
489.09976	1.8
503.11966	100.0
504.12262	8.9
505.09897	12.6
529.09937	4.5
545.13159	9.3
547.10974	2.8
709.17126	2.1
709.29486	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93674	0.3
57.30787	0.3
58.02966	1.2
59.01368	1.4
63.23754	0.3
71.01388	0.8
74.02457	1.8
82.02989	1.6
84.04561	2.2
85.02928	0.5
86.02485	9.1
88.04054	1.1
96.04594	0.8
96.96029	3.0
98.95601	1.9
99.92602	1.0
101.64753	0.3
102.98621	1.4
109.07664	0.7
113.02438	0.5
115.92099	0.8
116.92865	4.4
119.05044	0.6
120.01263	10.9
123.04484	0.4
127.05120	2.5
127.08792	10.7
128.03551	100.0
129.03882	1.4
133.02959	1.2
135.04562	0.6
150.03172	0.3
152.01143	0.4
153.06712	5.5
161.02464	3.4
164.98438	0.4
171.07768	30.5
172.08131	0.7
175.04033	0.4
179.03439	0.9
179.04749	0.6
192.99734	1.0
193.05115	0.6
194.05905	0.5
197.05777	0.7
208.02075	1.0
213.03418	1.1
215.06757	4.1
223.04356	1.8
231.04469	7.9
249.05522	48.5
250.05800	1.3
285.04260	0.6
471.50833	0.4
477.14136	0.5
489.12097	0.4
536.58331	0.5
617.38721	0.4
628.53491	0.4
665.20349	0.7
709.26672	0.4
709.49097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09657	0.6
50.66053	0.6
53.93804	0.7
59.01383	100.0
64.34654	0.6
75.00871	1.5
87.38728	0.7
103.00420	1.9
103.01505	64.0
206.75223	0.6
273.66241	0.6
279.23459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08847	0.4
57.62793	0.4
61.98834	100.0
62.08278	0.3
62.23336	0.3
70.56451	0.9
81.56046	0.3
110.08415	0.4
111.76746	0.3
112.48550	0.4
206.16052	0.4
222.24539	0.3
238.86411	0.4
268.86609	0.4
271.88245	0.4
367.72650	0.3
593.03894	0.5
623.15448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48623	5.0
60.75593	4.6
69.29095	22.4
69.40850	4.6
71.01422	4.7
78.35995	4.8
82.21872	4.9
92.65114	4.6
171.10278	100.0
185.80043	5.4
253.09207	8.2
277.18805	5.7
277.21762	98.6
278.21906	7.7
499.37048	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	710.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43720	3.0
66.75316	3.2
67.40086	3.2
71.44186	3.5
142.03554	3.3
163.53900	3.2
171.10294	100.0
172.10602	3.3
239.99896	2.9
253.09207	9.0
277.21786	62.3
278.22195	3.6
361.04657	3.3
376.64636	3.2
407.19315	3.7
529.96497	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	711.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
65.00330	0.4
71.01381	0.3
71.41028	0.3
79.95738	3.8
96.96018	100.0
98.95628	0.3
99.00925	0.3
101.02457	0.5
109.02972	0.3
111.00862	0.3
135.04550	0.3
136.98885	0.3
151.04105	0.3
161.02498	0.6
164.98228	0.3
165.99081	0.3
167.03503	0.4
171.04546	0.4
173.06067	0.2
177.01949	0.4
179.03610	0.3
188.47690	0.3
192.99689	0.8
227.07097	0.4
243.06673	0.4
261.62177	0.3
269.04532	0.9
270.05170	0.3
271.06201	0.7
281.08368	0.4
301.03610	1.5
307.06052	0.5
314.43304	0.3
326.10455	0.3
340.08206	0.4
345.16788	0.4
352.08359	1.1
370.09387	4.6
371.09723	0.8
375.14447	0.5
399.00232	0.6
484.09235	0.3
489.21252	0.3
507.02625	0.5
507.22064	0.4
549.23029	0.6
589.40668	0.3
613.11896	0.4
663.70007	0.3
711.17877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95228	0.5
55.65263	0.4
57.03449	2.0
59.01389	4.2
61.40054	0.4
67.01894	0.8
68.99828	0.8
71.01384	2.3
71.05027	0.6
73.02959	4.9
74.30451	0.4
74.60897	0.4
77.03963	1.3
77.04789	0.4
78.95920	2.6
79.95746	0.9
81.03466	8.5
81.15817	0.4
83.01401	4.0
85.03000	0.6
93.03466	2.0
95.01398	1.3
95.05035	3.0
97.02959	4.6
99.04530	5.0
101.02466	2.0
105.03469	1.7
107.01402	1.4
108.02184	5.7
109.02964	46.2
110.03273	0.9
110.94131	0.5
111.00896	1.3
113.02484	0.8
119.01433	0.7
119.05070	0.5
120.02122	0.8
121.02967	9.9
123.00888	2.6
123.04528	4.9
124.01663	2.3
125.00091	0.9
125.02464	26.1
128.95143	2.2
133.03026	1.2
133.11633	0.4
135.00911	1.7
135.04530	0.6
136.01634	0.6
137.02463	23.5
138.03291	4.2
139.04034	3.4
145.02986	0.5
147.00870	0.8
147.04507	1.3
148.01704	1.9
149.02460	36.4
150.02814	1.1
151.04021	1.7
153.01918	0.7
155.05051	0.7
161.02489	4.2
163.00415	3.6
163.04050	1.6
164.01199	7.9
165.01952	39.5
166.02730	18.9
167.03516	65.3
168.03851	1.5
171.04553	1.4
172.05281	0.7
173.02472	1.0
173.06105	0.9
174.03221	2.5
175.00368	0.8
175.04018	13.7
176.01146	3.9
177.01968	4.9
179.03519	0.7
185.06085	1.1
187.04044	1.0
188.04823	0.7
189.01979	0.9
189.05565	2.5
190.99887	7.7
191.03494	3.4
192.00674	6.6
193.01430	35.9
194.01805	1.0
195.04558	1.1
197.06123	1.9
198.03236	1.7
199.04024	13.5
200.04518	0.6
201.01967	4.0
201.05577	0.7
204.92282	1.6
209.04469	0.9
211.03975	0.9
212.04768	0.8
213.05528	3.2
215.03540	1.6
216.04199	1.3
217.05074	12.9
219.02983	2.1
223.04123	2.7
224.04805	0.5
226.02769	1.3
227.03693	0.6
229.05051	0.9
231.06618	0.9
235.06123	1.0
239.03488	1.0
240.04288	1.0
241.05083	21.9
242.02209	1.4
242.05406	1.1
243.02988	5.8
255.02953	0.5
256.03760	1.1
257.04596	4.6
259.06110	6.1
267.02997	21.0
268.03268	1.1
275.05493	0.6
283.02493	0.9
284.03275	3.7
285.04074	80.9
286.04358	4.1
303.05130	59.3
304.05435	2.3
309.04068	1.1
329.08734	0.6
371.09851	25.7
372.10220	1.4
381.08350	6.2
381.93924	0.5
382.08655	0.8
396.07123	0.7
397.07791	14.4
447.09341	0.8
465.10394	1.0
489.10446	10.6
490.10864	1.1
507.11484	100.0
508.11823	7.8
549.13422	0.7
601.14294	1.7
711.17938	16.5
712.18005	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	711.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83977	0.7
57.03442	2.6
59.01379	5.4
61.24257	0.7
63.02378	0.7
67.01930	1.0
71.01374	3.0
72.99276	0.9
73.02950	4.8
75.00876	1.5
78.95937	1.8
81.03471	8.0
83.01392	5.5
85.02993	1.6
85.06774	0.8
87.00898	1.4
91.01901	1.0
93.03455	2.7
95.01401	2.1
95.05035	3.8
97.02951	4.5
99.00848	1.7
99.04525	5.8
101.02462	1.5
105.03484	1.6
107.01414	1.0
108.02200	6.1
109.02960	45.7
110.03291	1.1
111.00899	2.0
113.02456	3.5
116.90631	0.8
119.01440	1.0
119.05032	1.0
121.02966	10.7
123.00883	2.9
123.04517	4.4
124.01667	2.2
125.02459	30.6
133.02963	1.7
135.00916	1.8
135.04517	1.5
137.02455	27.7
137.03520	1.6
138.03314	4.3
139.04012	3.1
147.00897	1.1
147.04546	1.0
148.01637	1.7
149.02452	38.1
150.03162	2.1
151.03969	1.6
155.05074	0.8
161.02460	4.5
161.04503	0.9
162.03244	4.9
163.00334	5.0
163.04013	2.3
164.01169	6.9
165.01950	41.5
165.05536	1.2
166.02728	19.6
167.03511	64.5
168.03867	2.1
170.99818	2.0
171.04640	1.1
174.03217	2.4
175.03993	14.4
176.01135	5.9
176.04338	0.8
177.01955	5.5
177.05559	2.1
179.03592	1.1
185.06107	1.6
187.04102	1.1
189.02002	1.0
189.05614	2.3
190.99886	9.9
191.03529	4.5
192.00684	7.4
193.01433	38.3
194.01692	1.3
195.04512	0.9
197.06070	1.6
198.03241	2.9
199.04037	14.1
200.04614	0.8
201.01961	3.5
201.05585	1.1
211.04018	2.1
212.04697	1.7
213.05530	2.7
215.03577	1.9
216.04353	1.0
217.05084	15.7
219.03178	1.8
223.04019	3.3
227.03506	0.8
229.05052	1.1
235.05965	1.4
239.03450	1.7
240.04196	2.0
241.05086	25.6
242.02208	1.9
242.05508	1.2
243.02995	6.7
246.97125	1.2
255.02916	1.1
256.03656	1.3
257.04547	4.3
259.06143	6.0
267.03003	23.9
268.03168	1.1
284.03293	6.2
285.04071	79.8
286.04443	4.1
301.07080	1.1
303.05124	58.4
304.05453	3.1
309.04126	2.0
322.65204	0.8
327.05170	1.0
336.48264	0.9
337.07794	1.6
371.09836	27.6
372.10031	1.5
381.08405	6.1
396.07129	1.3
397.07797	18.3
398.07993	1.0
489.04071	1.5
489.10526	14.7
490.10541	1.2
491.12097	1.6
507.11487	100.0
508.11877	8.5
559.03558	0.9
601.14453	1.9
711.17957	18.4
711.30438	1.3
712.17865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
57.03451	0.4
59.01387	100.0
60.01719	0.6
71.01393	9.2
72.80907	0.3
73.02959	3.4
83.01383	1.5
85.02961	5.3
89.02452	0.5
95.01395	0.4
99.00919	1.3
101.02450	7.5
113.02464	4.1
134.64537	0.3
159.02991	0.7
161.04579	4.4
184.86473	0.3
186.28250	0.3
191.03630	0.4
207.01244	0.5
231.82600	0.3
269.10324	11.4
302.66861	0.3
311.11374	4.5
385.29877	0.3
630.16052	0.4
668.69098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03458	3.6
59.01382	3.9
61.98817	1.8
62.31731	0.4
67.01859	0.6
71.01389	3.8
72.99313	1.2
73.02930	0.5
75.00879	23.1
83.01389	1.2
85.02957	17.6
85.03477	0.8
87.00891	1.1
89.02458	1.8
95.01395	2.0
99.00867	1.0
101.02435	1.5
113.02456	6.7
129.01932	1.4
145.05109	2.7
147.02994	1.8
157.01411	1.4
179.05598	1.0
189.04012	3.5
207.05109	100.0
208.05432	1.6
341.10764	0.5
383.12161	0.9
483.85876	0.7
503.16119	1.8
551.31073	0.5
635.22021	0.5
665.21478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03459	3.9
59.01126	0.9
59.01385	10.5
66.41631	0.5
68.99828	0.6
71.01384	7.5
71.40089	0.7
72.06763	0.5
72.99316	1.1
73.02937	1.9
75.00879	27.2
83.01375	1.5
85.02957	19.6
87.00881	2.3
89.02454	5.9
95.01367	2.9
99.00922	1.4
101.02453	4.7
113.02465	9.0
117.01937	1.7
119.03476	1.2
125.02412	0.8
129.01947	1.4
143.03514	0.8
145.05081	2.7
147.03033	2.3
157.01492	1.4
179.05609	4.4
189.04060	4.2
207.05115	100.0
208.05492	1.7
210.37492	0.6
221.06702	1.6
254.16309	0.7
278.29721	0.6
341.10889	1.7
383.11975	5.7
443.00760	0.7
443.14249	1.1
485.14963	1.4
503.16202	1.8
529.30768	0.8
665.21527	7.8
666.22504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61649	1.2
58.02964	1.2
59.01387	55.1
60.63401	1.1
61.98551	1.7
61.98841	22.9
69.27184	5.8
74.02480	2.9
74.99095	3.5
79.00405	1.1
82.02985	2.8
84.04558	3.0
86.02480	19.2
87.04525	43.7
88.04053	1.2
98.21920	2.2
109.07713	1.6
110.00054	1.4
119.05046	2.9
127.05125	4.6
127.08794	18.0
128.03557	100.0
129.03934	1.7
135.04565	1.6
153.06700	6.4
154.40851	1.1
171.07782	93.2
179.04593	2.7
197.05728	2.0
213.41176	1.3
215.06744	13.5
380.31146	1.2
407.18912	4.5
424.18839	1.2
462.31671	1.3
494.22104	2.2
495.23730	1.8
582.27356	18.3
583.27924	2.2
711.32123	11.8
712.32141	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	711.337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.8
61.98827	18.8
69.11090	21.8
69.11515	36.8
71.01376	15.4
82.95422	19.7
89.02463	9.5
101.02427	14.1
174.00363	7.9
200.85156	8.3
235.08301	10.8
241.75520	9.3
248.15903	7.8
277.21808	52.4
336.29959	9.7
397.13425	100.0
415.14462	31.3
637.57721	10.4
711.33624	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54947	17.5
59.01369	20.5
61.52258	12.6
67.79141	13.8
71.41863	20.4
71.42241	15.8
81.84769	14.4
85.43799	12.6
92.65231	16.0
105.38423	15.5
125.76852	16.2
242.08206	15.7
270.07605	20.0
277.21671	45.7
397.13580	100.0
415.14548	29.3
457.99652	17.8
523.12408	26.9
524.13647	17.7
711.33807	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97197	1.6
58.02980	18.8
59.01389	3.2
63.27684	1.6
69.26206	9.2
69.76629	1.4
71.01397	2.4
72.97563	1.7
73.98324	2.7
74.02483	24.0
77.89739	1.6
81.04610	2.6
81.33981	1.5
82.02998	4.1
86.02479	9.8
86.06129	2.2
87.05646	4.2
89.00670	6.8
97.04087	3.0
99.05655	25.7
100.00372	1.6
101.07204	5.3
102.05644	3.2
102.61721	1.5
109.04111	6.5
111.05643	3.2
112.04032	2.6
115.02245	6.2
117.89467	1.4
118.82667	1.6
123.05640	2.4
124.93029	1.5
125.03597	4.5
127.05121	4.9
128.03558	74.9
128.79405	1.5
130.56076	1.5
135.05670	10.1
141.06728	3.1
143.04634	96.5
145.06215	2.9
146.04607	7.6
153.06728	7.2
166.09872	5.8
167.04655	5.3
167.08296	6.2
170.03156	1.6
171.04128	2.7
179.04631	22.9
181.06134	2.4
185.05640	1.7
185.56560	1.6
192.07860	3.1
197.05666	3.8
205.27382	1.6
209.51407	1.5
210.08879	21.0
210.31892	1.4
228.09909	1.7
254.07841	46.0
255.08357	1.9
258.20047	1.7
269.81329	1.6
272.08911	100.0
273.09097	4.3
304.06281	1.6
343.13733	2.7
344.09354	2.6
362.10361	15.1
616.23376	13.3
634.24463	32.6
635.25165	2.3
652.25500	57.1
653.25494	6.2
712.27325	4.9
713.28790	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	712.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	13.8
59.01389	2.8
66.03495	3.0
69.96571	2.4
69.96961	2.4
71.01424	1.6
71.42282	1.2
72.00912	1.3
72.51783	1.4
73.98330	1.9
74.02482	31.7
76.91861	1.3
78.40491	1.3
79.43886	1.3
80.10175	1.3
81.04617	2.5
82.03011	3.8
86.02487	11.0
87.05647	4.0
88.04110	1.8
89.00689	8.4
95.96023	1.2
97.04103	3.2
99.05659	24.0
100.00418	2.0
101.07225	4.7
102.05609	3.1
107.06204	2.0
109.04093	5.3
111.05687	1.7
112.04057	2.5
115.02261	5.4
123.05632	1.5
125.03549	2.3
127.05172	2.0
128.03558	76.9
133.02988	1.6
135.04715	1.9
135.05640	9.4
137.07213	2.9
141.06726	3.1
143.04640	93.4
145.06192	4.8
146.04619	11.3
153.06720	5.5
161.02501	5.0
166.09866	4.1
167.04631	6.3
167.08292	8.4
170.03325	3.2
171.04152	1.9
179.04652	21.8
179.06073	2.1
181.06207	3.7
185.05746	4.9
192.07846	3.2
197.05753	3.0
210.08868	22.6
254.07840	47.6
272.08908	100.0
273.09161	2.2
343.14020	1.5
344.09390	2.8
362.10370	16.5
577.22534	1.7
616.23291	13.6
630.65704	1.5
634.24475	32.2
635.24719	2.4
636.17902	1.5
652.25549	46.6
653.25879	5.4
683.23480	2.7
712.28308	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	713.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
67.54161	0.2
69.34023	1.0
71.01383	0.6
72.99292	0.4
75.43149	0.2
85.02961	0.6
95.01423	0.2
98.22712	0.4
111.00826	0.2
113.02465	0.9
117.03449	1.0
119.05076	0.4
121.03002	0.3
123.49931	0.2
124.39498	0.2
133.02954	0.8
143.01410	0.4
145.02965	4.8
146.03337	0.3
147.00879	0.6
149.02455	0.8
159.00888	0.5
161.02481	2.8
163.00389	0.3
163.04045	0.9
171.00914	0.5
173.02457	2.1
187.00391	1.0
189.01935	4.9
191.03496	0.3
193.03542	0.4
201.01932	1.3
214.99861	2.9
216.00529	0.8
217.01442	9.0
217.06546	0.3
219.08202	0.3
228.00618	0.4
233.06032	0.4
239.03418	0.3
241.92224	0.3
242.99323	2.6
244.00319	0.6
245.00922	71.4
246.01256	3.0
248.73055	0.3
258.01755	0.5
261.00403	0.5
261.05579	0.3
263.07297	0.3
267.02972	0.6
269.01080	0.3
269.04559	0.5
270.96167	0.4
270.98868	4.3
273.05554	0.7
279.06711	0.5
286.01337	0.5
289.05035	0.9
290.05878	0.3
291.06638	1.9
301.05014	0.5
303.06595	0.4
307.06082	0.8
309.03900	0.3
317.04489	1.1
319.06064	1.5
335.05634	2.5
345.04169	2.0
347.05563	1.7
363.05252	0.8
373.03589	4.6
374.04071	0.4
391.04630	24.5
392.04974	1.9
475.07874	0.3
519.07617	0.4
537.08313	100.0
538.08612	11.2
713.11450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64545	0.5
59.01368	1.6
61.58566	0.4
69.73920	1.5
69.74287	0.5
69.84213	0.5
71.01403	0.6
85.02969	0.6
86.02374	0.5
93.17197	0.5
113.02437	1.2
117.03479	1.0
133.02977	1.1
143.01453	0.6
145.02983	4.6
145.29378	0.4
159.00882	0.5
161.02454	2.4
163.04018	1.1
171.00795	0.5
173.02448	1.8
187.00414	1.2
189.01987	5.1
193.03552	0.7
201.01920	2.0
214.99838	2.5
216.00841	0.5
217.01422	8.4
218.01828	0.6
242.99341	2.7
244.02519	0.8
245.00920	71.1
246.01321	2.8
263.07162	0.5
269.04700	0.6
270.07870	1.1
270.98917	4.6
273.05539	0.7
273.84763	0.5
281.78107	0.5
289.05182	0.7
291.06635	1.6
301.05048	0.6
307.05905	0.9
317.04507	1.1
319.06180	1.4
335.05624	1.9
345.04077	1.8
347.05637	1.5
365.83279	0.5
373.03540	5.3
380.12088	0.7
391.04602	24.7
392.04810	3.0
536.09637	0.7
537.08313	100.0
538.02429	0.4
538.08618	10.0
658.86133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39472	1.7
56.48390	1.6
57.03435	3.8
59.01394	9.6
69.59589	4.1
69.59972	3.9
70.22122	1.7
71.01384	5.6
71.66880	1.7
81.03460	6.4
82.25989	1.8
83.01393	3.2
83.11771	1.9
89.02427	2.6
93.03466	2.5
95.05001	2.1
97.02979	4.1
99.04512	3.2
101.02432	2.0
108.02171	6.7
108.78625	1.7
109.02966	34.7
113.02438	2.8
121.03012	9.4
125.02460	30.6
127.96387	1.7
134.03703	4.6
135.00899	8.5
137.02469	21.5
138.03215	3.4
148.01691	4.6
149.02461	43.8
149.22414	1.9
150.03107	2.6
155.15028	2.0
160.01669	4.7
161.02446	3.6
163.00391	11.1
163.04074	2.2
164.01163	13.8
165.01949	35.1
165.05502	3.5
165.08751	1.8
166.02711	17.2
167.03519	30.0
167.04895	3.8
171.04437	2.2
173.02472	2.5
175.04022	18.8
176.01147	7.2
177.02025	4.9
190.99886	33.1
191.03540	4.2
192.00687	14.4
193.01437	57.4
193.03195	3.4
193.05060	5.4
195.04630	3.3
195.06508	2.1
197.06030	2.1
199.04050	16.5
201.01941	3.6
209.53542	2.2
211.03964	3.9
213.05638	3.2
215.03519	4.1
217.05064	11.9
223.04027	10.2
234.76842	2.4
235.06093	2.7
239.03485	3.0
240.04065	2.2
241.05069	19.5
243.02875	5.2
256.04025	2.6
257.04501	2.6
267.03003	100.0
268.03296	3.2
284.03302	17.4
285.04071	77.7
286.04318	4.7
303.05099	13.7
309.04053	7.4
329.08823	19.1
339.07129	11.2
355.06705	49.4
356.06970	3.7
391.18848	1.9
396.06964	4.6
397.07730	3.9
401.28424	2.1
447.09387	37.9
465.10364	66.7
466.10623	3.2
489.10483	20.2
507.11676	12.8
508.11621	2.7
517.15808	9.5
559.13080	16.3
570.14050	2.0
669.16724	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	713.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	4.7
59.01374	15.0
71.01398	7.7
74.96436	7.9
81.03436	8.0
85.02967	7.9
89.02465	5.5
97.02940	8.6
99.04520	5.1
99.64973	4.5
101.02438	5.1
105.03549	5.5
108.02190	5.9
109.02969	47.5
110.94135	28.4
112.93863	12.4
113.02464	7.0
114.93513	9.3
121.02970	10.8
125.02471	38.2
134.03740	16.3
135.00916	7.6
137.02478	22.8
148.01668	4.3
149.02449	41.7
150.03203	18.0
160.01675	15.2
161.02393	5.5
161.04529	5.9
163.00436	10.2
164.01166	14.1
165.01938	45.9
165.05568	14.3
166.02689	12.4
167.03529	32.8
168.94632	7.5
175.03976	38.1
176.01201	8.7
177.01991	7.7
190.99893	32.3
191.07240	7.4
192.00661	20.0
193.01454	67.4
193.05072	20.2
194.01727	6.3
199.04039	18.8
204.92340	45.4
206.92000	17.9
208.91666	7.2
217.05013	13.4
223.04066	12.8
235.06201	6.7
241.05150	22.4
243.03035	8.9
257.04407	5.7
267.03030	100.0
268.03256	8.8
284.03259	9.3
285.04056	93.2
303.05072	29.6
329.08600	22.5
339.07233	9.7
355.06763	36.5
373.51965	4.7
397.07828	8.4
398.07892	5.5
447.09387	36.4
465.10333	75.8
489.10309	19.6
507.11392	22.5
509.12030	7.8
517.15680	44.1
559.13092	17.4
582.82672	5.6
625.98706	5.4
669.16992	21.5
713.22699	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.8
60.58165	1.2
60.99313	18.3
69.57339	1.4
69.66811	2.9
69.67198	3.1
70.90031	1.4
71.01380	8.6
73.02954	4.0
85.02962	7.2
88.98814	88.1
89.02444	3.9
95.01393	3.0
101.02459	2.7
107.36890	1.5
109.02959	15.6
113.02473	16.9
132.02130	1.9
133.02969	35.2
135.04549	13.3
153.01956	22.0
161.02467	100.0
162.02824	3.3
166.00970	1.7
179.03448	4.9
181.03284	2.6
186.04643	1.5
219.76895	1.3
285.15204	2.9
285.18579	5.5
291.06631	2.2
301.14175	1.4
319.06003	4.8
329.17621	10.5
345.16986	5.5
346.17487	8.1
347.18005	3.1
351.69394	1.4
396.99243	1.7
423.00961	1.6
439.10342	5.8
461.16550	5.1
491.22824	3.9
509.23941	8.4
551.14398	12.1
551.24872	24.3
552.25366	1.6
577.15344	2.6
623.19843	70.5
624.20313	8.5
653.27936	2.3
669.19281	2.8
712.28711	2.1
713.17468	12.4
713.29956	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	713.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
60.99079	0.6
60.99313	7.9
71.01379	7.8
85.02961	7.7
86.86546	0.7
88.98812	24.3
89.02429	2.2
95.01387	2.3
98.21896	2.4
101.02465	1.8
111.24229	0.8
113.01723	1.3
113.02462	17.7
119.03522	1.0
123.04522	1.2
129.35440	0.7
132.02219	1.0
133.02965	22.7
135.04524	15.3
135.86284	0.7
161.02454	93.0
162.02829	3.0
179.03493	5.1
212.50827	0.9
233.04536	1.0
251.05351	0.8
297.09854	0.9
315.10834	2.2
355.47598	0.8
417.70959	0.8
461.16672	5.3
550.95935	0.8
551.24829	1.2
623.19836	100.0
624.20282	11.1
698.37762	0.8
713.29895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80804	1.0
59.01386	8.5
71.01395	7.8
72.99361	1.0
73.02970	1.6
79.95747	8.5
83.01403	1.9
85.02940	2.2
87.00883	8.2
89.02464	4.4
101.02443	7.0
108.02197	1.3
109.02962	1.1
113.02477	4.6
117.03509	1.7
121.02972	4.3
122.03769	9.3
123.04507	1.5
132.02205	8.1
133.02979	2.7
134.03751	52.2
135.04160	1.6
137.02530	1.4
146.03732	2.8
147.04518	2.1
148.05368	2.3
149.02449	10.2
149.06096	11.1
150.03236	51.7
151.03702	1.8
152.01158	2.3
160.01672	42.3
161.02068	1.7
161.04568	1.8
161.06039	1.1
164.04860	2.7
165.05577	49.5
167.03534	4.7
175.04008	58.5
176.04814	6.8
178.02719	6.5
179.07162	4.8
180.04318	3.5
187.18814	1.3
189.48897	3.5
191.07127	9.5
193.05072	65.6
194.05348	2.6
195.06644	21.1
207.06671	1.5
235.06117	24.8
236.06448	1.4
236.97870	9.6
237.48178	1.4
265.07111	5.1
295.08310	7.2
299.02039	3.2
311.07669	2.9
314.04355	2.4
315.05023	3.6
323.09848	1.6
337.09366	2.7
341.10345	3.3
355.10291	3.1
371.11292	4.2
389.12408	15.4
395.00790	4.1
431.13641	9.6
461.14447	2.5
491.08875	1.9
491.15625	23.6
492.15787	2.4
517.15662	100.0
518.15948	8.5
551.17950	1.6
713.23047	3.2
732.96771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.1
69.24995	7.2
71.01385	8.1
73.02948	3.4
85.02966	3.6
87.00869	8.4
89.02432	3.6
90.71330	1.3
93.03474	1.6
95.01338	1.6
97.03004	1.8
99.00911	2.3
100.80542	1.2
101.02444	5.7
101.85414	1.1
109.02966	4.5
113.02473	4.9
117.01970	1.6
117.03501	1.3
119.03504	1.3
121.02981	8.9
122.03770	6.4
125.02427	6.3
126.02798	1.4
132.02185	9.2
133.02977	2.9
134.03752	39.6
135.04465	4.0
136.01714	1.2
137.02466	5.4
147.04529	4.6
149.02470	18.6
149.06100	8.0
150.03242	40.9
151.04034	2.1
157.17683	1.1
160.01666	44.0
161.02319	2.0
161.04543	6.5
163.00352	1.4
164.01122	1.4
164.04840	2.6
165.01848	4.9
165.05585	34.8
165.22639	1.2
166.02562	2.1
167.03482	4.7
173.06142	1.5
175.04010	62.5
176.04800	13.1
177.01926	3.8
178.02783	5.8
179.05672	6.9
180.04286	2.2
190.99881	3.5
191.07169	14.7
192.00529	3.5
192.04327	2.1
193.01558	7.3
193.05066	47.4
194.01778	2.8
194.05406	2.7
195.01929	1.5
195.06619	12.3
200.04370	1.1
207.06676	5.9
217.05179	3.0
220.03819	2.4
220.46825	1.2
235.06117	37.2
236.06500	1.5
243.05566	1.9
250.06320	2.4
265.07120	5.9
267.02863	6.9
268.03329	7.8
269.03568	3.6
279.51212	1.3
282.09033	3.7
284.03201	2.1
285.04077	6.7
286.04352	4.1
287.04532	3.3
295.08337	6.4
303.05182	1.8
323.09796	3.7
337.09265	1.5
340.09341	1.4
341.10355	12.8
355.10834	3.6
373.10437	1.8
383.11395	11.7
384.11008	3.2
389.12613	5.9
397.07944	2.2
398.08054	2.9
399.08392	2.6
429.37076	1.4
431.13776	1.7
443.13870	3.0
489.10452	1.6
490.10648	3.6
491.10986	5.3
507.11746	2.0
508.11792	2.2
509.12207	4.0
517.15625	100.0
518.15961	6.8
524.40442	1.3
665.20685	10.3
713.23029	24.4
714.22980	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	713.232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00050	0.7
53.70970	0.6
57.03450	1.0
59.01384	7.2
59.10681	0.8
63.61451	0.7
64.94333	0.7
71.01395	5.3
73.02968	1.6
73.68197	0.7
81.03453	0.9
83.01398	1.6
85.02958	2.3
87.00886	2.0
89.02465	2.1
93.03446	2.3
95.01438	0.8
97.02958	1.2
101.02474	3.7
106.68869	0.6
108.02155	0.8
109.02978	5.3
110.03288	1.1
113.02470	3.6
117.03473	1.4
119.03496	1.0
119.04996	0.9
121.02968	4.7
122.03756	5.5
125.02480	6.7
126.02786	1.4
132.02162	6.0
133.02985	2.8
134.03757	23.4
135.00830	1.0
135.04543	1.7
137.02473	4.3
147.04521	3.0
148.01712	0.7
148.05301	1.3
149.02461	13.8
149.06090	3.3
150.03252	28.5
158.03748	1.1
160.01671	29.9
161.02367	1.8
161.04579	3.0
161.05843	0.7
163.00397	1.2
163.53345	0.8
164.01079	0.8
164.04797	2.3
165.01987	3.7
165.05583	20.7
166.02631	3.2
167.03453	3.3
168.03845	1.6
175.04024	40.8
176.04755	8.2
177.01874	1.5
178.02684	4.0
179.05649	4.8
180.04295	1.3
190.99898	4.2
191.07141	10.2
192.00504	2.6
192.04228	1.5
193.01488	6.1
193.03261	1.7
193.05070	32.2
194.01775	4.0
195.01917	2.1
195.06613	5.9
199.04051	1.8
207.06653	4.1
217.05028	1.9
220.03804	1.1
223.03940	1.2
224.04359	0.9
235.06131	28.1
236.06563	1.5
241.05020	2.7
242.05399	0.8
244.03113	0.9
265.07147	4.3
267.03033	10.8
268.03333	6.7
269.03564	4.9
282.08914	1.8
284.03159	1.6
285.04031	9.1
286.04382	6.0
287.04581	4.6
295.08240	5.2
303.05032	1.6
323.09793	2.9
337.09421	1.3
340.09595	0.9
341.10263	6.4
355.10699	2.6
371.10364	2.5
372.10199	1.4
373.10260	1.4
383.11362	3.3
389.12238	1.9
397.07516	3.8
398.08109	3.4
399.08374	5.8
406.64798	0.7
413.12750	0.9
431.13721	0.9
443.13177	2.0
489.10431	1.8
490.10638	2.1
491.10681	4.6
507.11746	2.5
508.11771	2.3
509.11993	6.2
517.15656	100.0
518.15881	7.2
593.15173	1.0
602.05292	0.8
603.14679	1.2
665.20807	6.0
713.23145	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	713.2606
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
52.64042	0.9
59.15981	0.8
61.98822	1.2
71.43546	1.3
89.03974	1.5
93.03447	1.2
106.90607	1.2
111.48559	0.9
117.03468	4.5
119.05025	3.9
121.02948	1.3
132.02203	7.3
133.02979	13.1
134.03751	78.3
135.04556	28.6
137.02448	4.5
139.04007	1.8
147.04539	2.8
148.05312	2.5
149.06113	6.0
160.01675	23.2
161.02449	16.3
166.31325	0.9
171.10225	1.2
175.03995	17.9
178.02716	6.7
179.02020	1.5
179.03519	16.4
191.03513	1.3
192.04179	1.6
193.05083	27.3
207.06654	2.0
246.82291	0.9
265.29193	1.1
383.14960	2.4
519.20197	1.8
537.21490	3.7
693.48126	1.1
698.23926	2.1
713.26080	100.0
714.26306	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	713.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.7
58.51463	4.6
59.01396	34.1
62.42078	4.6
65.00308	6.6
69.00726	4.2
71.01391	9.7
73.02965	13.1
78.18219	3.7
78.95924	5.0
80.58198	4.7
81.36149	4.3
83.05034	5.4
85.02948	37.2
87.04509	4.9
97.06619	6.1
107.05128	4.8
109.06591	8.4
113.02444	7.2
117.03489	22.8
119.05032	26.3
133.02994	10.7
135.04556	24.5
135.08189	4.4
139.97325	5.0
145.02960	29.9
165.00641	7.9
166.01404	6.4
199.15047	10.7
217.16042	10.5
219.14021	7.1
229.97592	4.6
241.16029	5.2
243.13803	6.0
245.15445	5.5
255.02982	5.9
255.17488	19.4
271.13428	53.2
273.18457	5.9
285.06567	8.9
286.04517	7.6
289.14474	100.0
290.14716	6.0
299.01984	9.5
301.18118	7.9
302.06659	4.8
329.06677	11.5
345.17099	32.2
357.11581	6.5
363.17993	5.1
385.06815	7.6
405.19189	66.0
417.05905	12.3
421.04565	15.2
508.32996	5.2
551.08191	5.2
554.37445	5.6
562.10620	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	713.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38929	0.4
61.98835	100.0
67.77895	0.4
73.97278	0.3
86.67317	0.3
98.21908	0.9
166.75111	0.3
247.88098	0.4
268.15607	0.4
414.72110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	78.3
60.01741	0.4
71.01386	2.7
85.02979	0.6
85.05114	0.4
89.02489	1.3
95.87270	0.4
101.02455	1.6
113.02465	0.7
132.02162	0.4
150.03227	1.1
160.01613	0.6
164.04846	0.6
165.05585	1.2
175.04018	0.8
179.07091	0.6
181.15865	0.4
195.06627	0.5
204.41222	0.4
224.08508	0.4
227.10802	1.2
269.04645	0.4
269.15579	0.7
283.17059	0.9
285.18741	2.8
311.16562	2.0
329.17621	100.0
330.17950	8.0
337.09314	1.3
343.19193	1.5
347.15067	1.5
347.18863	1.0
371.18637	4.1
372.19098	0.6
389.19998	1.1
461.37469	0.5
491.22977	17.3
492.23569	2.0
551.25061	29.7
552.25586	4.1
582.52466	0.5
593.26044	1.4
653.28253	1.4
713.30353	63.5
714.30634	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.2
59.72960	1.1
69.33461	5.0
71.01384	3.1
71.35246	1.1
73.02935	1.7
85.02939	1.7
92.16164	1.1
97.02964	1.7
101.02441	1.8
112.60801	1.1
117.03449	1.1
130.47380	1.1
161.02338	1.6
203.09222	1.2
215.10760	1.9
269.04535	2.0
271.17038	3.7
273.18451	5.8
276.43945	1.2
285.18518	2.1
287.16629	2.0
299.16559	2.2
301.18082	5.4
302.18600	1.8
303.19714	2.0
317.17639	9.4
329.17609	7.3
331.15302	1.4
334.17688	1.4
345.17194	3.4
347.18668	100.0
348.18994	6.6
361.20303	2.8
389.19809	6.8
491.22931	51.0
492.23187	3.6
509.23996	52.9
510.24286	3.6
510.71835	1.2
551.25000	40.0
552.25415	1.8
653.27930	7.4
669.33405	1.8
671.29169	16.5
672.30011	1.9
713.30396	65.1
713.47089	8.9
714.30804	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46722	0.6
59.01083	1.3
59.01384	24.3
68.42556	0.5
69.16827	2.1
69.17229	1.8
71.01389	9.0
79.01614	0.7
80.64464	0.6
85.02949	1.4
89.02453	9.1
101.02481	4.7
113.02476	3.1
119.03509	5.1
158.53648	0.6
161.04523	1.1
179.05710	1.4
185.88957	0.7
202.06342	1.7
269.11841	3.2
270.12534	1.4
271.71906	0.6
285.15012	21.9
286.15363	1.7
311.16641	6.1
313.14426	7.8
314.14911	1.1
329.17615	45.3
330.18149	3.6
345.17136	2.4
371.18777	0.9
373.16656	8.2
374.17090	1.3
388.18930	12.0
389.19714	100.0
390.20114	7.5
423.22046	0.6
533.24048	3.2
534.24414	0.9
551.25171	0.8
553.27167	0.7
651.67572	0.7
700.20923	0.8
713.30334	67.5
714.30737	9.7
731.54950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23034	3.3
59.01392	27.1
61.98820	9.4
63.74443	3.1
71.01395	17.3
71.43872	3.8
73.02947	4.4
87.00862	4.8
89.02460	15.2
89.23885	3.1
96.96008	6.9
97.02966	3.3
100.07692	3.1
101.02457	8.4
101.64188	3.1
113.02448	6.1
125.02423	5.7
179.05675	4.3
217.21143	3.4
235.08388	7.3
236.75269	3.6
265.14996	6.3
279.23306	52.6
300.22662	3.4
305.20786	3.4
346.01303	4.0
397.13547	100.0
398.13864	6.5
415.14474	27.5
453.16382	3.5
602.75610	3.9
623.78925	4.0
677.37811	7.4
713.35040	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	713.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12258	5.2
58.19263	5.3
59.01372	20.0
61.39702	5.3
61.98827	7.7
69.38733	10.7
69.39122	11.5
71.01389	17.6
81.00568	4.6
82.49834	5.1
82.74960	5.9
85.36548	4.8
89.02432	21.5
90.15305	4.8
96.96011	13.9
98.21947	8.2
101.02441	13.4
115.80460	6.5
119.05047	5.8
125.02458	8.1
135.04552	8.6
256.33344	5.0
265.14832	10.9
279.23306	45.2
397.13562	100.0
415.14743	27.3
677.37250	8.8
713.35242	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84677	2.1
53.00161	2.1
56.78338	2.4
57.19187	2.4
59.01386	38.6
62.02468	2.5
63.86808	2.3
67.44537	2.4
71.01390	25.6
73.02959	2.9
83.01412	2.3
85.02966	7.3
87.00904	7.5
89.02453	20.7
92.21932	2.6
97.02972	2.3
98.22709	4.7
101.02460	18.2
104.66865	2.3
113.02464	10.9
119.03516	7.3
124.53408	2.3
125.02467	9.6
143.03499	4.4
158.99013	2.4
161.04550	3.1
179.05617	3.8
184.75073	2.4
212.54305	2.2
221.36548	2.2
231.88289	2.3
235.08185	6.8
255.23300	66.7
256.23615	3.2
287.07803	3.6
397.13531	100.0
398.13705	5.6
415.14560	27.1
530.33807	2.8
619.87030	2.9
653.37012	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	713.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42074	0.5
68.88099	0.4
83.26629	0.4
85.13179	0.4
95.74812	0.5
117.33930	0.4
131.42810	0.6
135.04526	1.7
138.69463	0.4
148.63139	0.4
179.03499	1.3
217.25691	0.5
270.15442	0.5
677.49841	3.7
713.47418	100.0
714.47699	13.1
714.60419	0.5
740.62750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2775
Annotation	Respinomycin C
Peak:m/z	Relative Intensity
59.01366	4.7
61.98836	8.8
65.00330	6.6
69.17508	1.1
69.63428	4.2
71.01373	3.6
78.95956	1.1
83.01369	1.2
85.02936	1.3
93.03446	4.1
101.02468	1.5
113.02474	2.0
117.03439	2.3
119.05038	34.5
135.04482	2.4
135.39291	1.4
143.05016	4.5
145.02962	4.2
155.38274	1.1
161.02428	1.3
173.17369	1.3
187.03925	2.9
202.67810	1.4
204.13972	9.9
208.13483	1.6
209.13911	1.6
222.15042	1.6
225.05502	1.4
228.13927	6.3
246.14964	5.1
252.13884	2.3
264.16052	7.0
270.15063	2.8
272.12967	1.8
288.16083	1.7
291.78073	1.2
296.12836	1.7
314.14297	5.8
332.15234	2.9
340.11768	3.9
358.12906	1.6
366.13492	2.2
384.14673	1.8
407.80377	1.5
416.18607	2.9
460.17636	1.8
594.21466	1.8
714.27734	100.0
715.27942	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	715.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.6
65.00323	2.3
68.99817	0.6
71.01392	3.1
75.00877	0.9
85.02960	7.6
87.00893	0.7
95.01391	2.4
96.99314	0.7
99.00891	1.6
101.02434	0.7
103.00391	1.1
113.02461	15.5
123.00878	0.7
129.01892	0.8
136.98834	3.9
139.00417	1.3
141.07117	0.9
143.05017	0.6
164.98254	3.1
169.06581	1.9
171.04506	1.1
175.02473	7.1
181.06421	0.6
195.04590	1.3
197.06113	2.6
199.04056	0.9
205.64828	0.6
213.05563	1.2
219.14055	0.6
223.04012	2.1
225.05608	1.1
228.06755	0.7
241.05150	3.0
251.03519	3.0
267.03024	0.6
268.03503	0.7
269.04565	100.0
270.04907	4.5
270.07614	1.1
271.06302	1.2
283.02328	0.8
312.56235	0.6
313.07535	0.7
323.34564	0.6
445.07602	7.7
538.10944	0.8
539.12091	3.0
611.34607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99021	0.5
59.01385	3.6
61.98833	2.5
65.00324	2.3
67.01900	0.6
68.99833	0.8
71.01392	1.9
74.91187	0.5
75.00877	1.0
83.01396	0.8
85.02963	4.9
93.03461	0.5
95.01386	3.6
96.99299	0.8
99.00903	2.0
103.00386	1.1
104.18787	0.5
107.01383	1.4
111.00897	10.1
113.02460	11.4
117.03476	1.0
119.05045	7.1
123.00880	1.0
125.02459	1.4
136.98839	3.2
137.02425	0.9
138.98035	0.5
138.99312	0.7
139.00391	13.3
143.04991	1.2
145.06651	0.7
151.00409	3.7
161.02473	1.1
164.98285	2.2
165.01962	0.8
166.99870	3.4
167.05122	0.7
169.06567	1.3
171.04501	1.0
173.06126	1.2
175.02489	6.1
178.99864	1.2
185.06041	1.1
192.00655	0.6
195.04570	0.8
197.06122	0.6
199.03986	1.1
211.03922	0.7
213.05667	1.0
217.05098	1.0
223.03951	3.0
225.01987	0.7
239.03539	1.5
241.05061	1.6
253.05081	27.1
254.05417	1.6
267.02985	1.9
269.04578	9.6
285.04065	100.0
286.04428	4.5
297.04001	0.9
325.03705	1.0
327.07877	0.6
341.08298	0.6
373.22345	0.5
429.08264	6.3
445.07596	1.2
473.07501	0.8
495.10812	0.9
501.07254	0.6
521.09113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25101	0.3
59.01385	3.5
78.03493	1.0
78.91885	1.0
80.91690	15.8
113.02444	1.1
120.04597	0.4
122.02495	100.0
123.02838	1.7
127.86331	0.4
136.04059	0.6
141.01746	0.4
155.03531	0.7
183.05659	0.5
204.02840	0.6
213.16512	0.9
255.17664	2.4
264.03723	0.9
267.03867	3.2
327.16092	1.4
350.17618	0.5
374.51279	0.4
428.36609	0.5
443.46436	0.4
450.19247	3.9
451.19711	0.5
472.17294	0.7
573.22479	19.7
574.22607	2.8
595.20581	2.7
633.24445	0.7
696.67480	0.4
715.23236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	28.6
59.66175	4.1
61.98840	8.2
65.02565	4.1
71.01379	7.1
82.95435	4.7
85.02948	7.3
95.05065	4.8
96.96021	6.3
117.03493	10.4
119.05041	15.2
120.08265	6.0
120.77708	4.6
121.05379	5.2
122.06139	34.5
133.03020	5.4
134.06148	7.0
135.04552	18.7
144.04628	6.3
160.06480	7.6
174.05524	4.8
203.05746	5.1
213.10336	38.2
226.42249	4.0
239.11920	13.0
241.13490	26.1
263.08054	4.4
283.11002	8.4
285.12485	100.0
325.11801	5.2
344.17911	4.5
347.18399	6.2
354.15854	4.6
356.13977	8.3
370.15704	18.3
398.14886	11.4
412.16495	10.3
413.17258	4.6
466.33682	4.8
482.18286	4.9
483.95419	4.8
493.22610	16.8
535.23523	91.6
579.22510	80.6
580.22388	6.5
582.08716	4.8
595.25653	7.9
611.25116	44.5
612.25543	4.7
639.24841	8.5
671.25928	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	715.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57949	0.5
59.01386	44.7
70.76614	0.4
71.42520	0.5
80.05058	3.3
92.05025	0.5
93.53769	0.5
94.06615	1.1
104.05057	1.5
106.06645	8.6
107.03773	1.6
108.04560	2.1
117.03456	2.2
119.05037	1.1
120.04548	1.7
120.08188	1.3
121.05333	1.2
122.06137	21.1
130.06621	1.1
132.04556	1.4
132.08197	0.7
134.06142	37.8
135.06505	1.1
136.07654	2.1
145.02963	7.9
145.97514	0.5
146.06146	2.5
147.03181	0.6
148.04073	1.3
148.07658	1.4
152.07176	3.1
156.32419	0.5
158.02402	0.6
158.06084	1.5
160.04071	2.5
160.06401	2.5
160.07608	1.2
161.04836	0.9
161.29330	0.6
162.05554	0.7
174.05602	2.8
180.06744	2.5
186.05569	1.0
188.07227	6.5
190.05069	1.1
194.08215	2.3
197.07344	0.7
197.10901	0.6
198.12779	0.6
208.09824	0.6
211.08759	2.5
213.10356	11.8
223.08797	1.6
223.12392	0.7
224.09474	1.4
225.10342	5.7
226.11073	2.3
227.11914	5.0
233.07303	0.6
234.07898	0.8
235.08778	1.5
236.09691	1.0
237.10381	3.4
238.07533	0.6
238.11113	1.0
239.11917	9.4
241.13501	7.7
249.06558	0.6
249.10411	3.0
250.07414	3.8
250.11040	0.9
251.08217	3.1
251.11951	4.4
252.09186	0.9
253.09811	5.0
253.13257	0.9
261.10394	0.6
263.08273	3.3
263.11853	1.4
264.08987	2.4
265.06067	0.6
265.07199	0.6
265.09937	6.1
265.12833	0.8
266.10568	2.1
267.11526	4.1
276.08963	1.2
277.09851	9.5
277.12933	0.9
278.06958	5.8
278.10599	4.2
279.07767	6.5
279.11356	5.2
284.03394	1.1
285.12485	21.7
286.12860	0.6
287.14117	1.5
289.09946	1.3
291.07813	2.6
291.11121	0.7
292.08679	2.7
293.09320	21.4
293.12924	7.6
294.10095	5.5
295.10928	12.9
296.11411	1.2
305.09351	6.7
306.10120	4.7
307.07800	0.9
307.10947	11.1
308.11365	1.4
309.12451	1.6
312.15207	0.6
316.14471	0.9
319.10858	1.3
320.08560	0.6
321.08884	1.3
321.12354	1.2
328.14447	0.8
332.17493	0.7
337.08362	8.7
337.11966	1.1
338.09015	2.1
339.09888	1.5
340.10718	1.0
340.14661	1.1
342.12524	1.3
343.13452	0.9
351.09647	1.1
353.11499	0.6
354.12473	0.7
355.13177	3.0
356.13937	2.3
356.17825	0.9
357.15164	1.0
358.15732	5.1
365.11539	4.7
366.11859	0.8
367.12939	1.3
369.14700	0.8
370.11703	1.2
370.15683	1.4
371.16351	1.1
372.17227	1.6
374.18658	1.0
382.11606	0.7
382.15732	0.9
383.12570	1.1
384.13437	3.5
384.17459	0.6
385.13983	1.1
386.14575	0.7
397.14130	1.8
398.14810	2.7
399.15878	2.1
400.16724	9.5
401.17044	1.5
407.17166	1.6
410.15005	0.6
412.17130	4.4
413.17715	2.5
414.18402	2.6
424.16779	0.8
426.14407	2.9
440.16159	2.1
441.17117	3.1
442.17853	8.0
443.18155	0.9
444.15491	1.2
445.16437	1.1
456.19489	4.5
458.17151	2.3
460.18814	1.9
468.15753	3.0
474.20203	1.8
485.15887	1.1
486.16669	6.7
491.21158	0.6
500.18286	2.0
501.19043	2.1
502.19870	4.6
504.17377	0.7
505.22562	1.0
516.21564	9.1
517.21283	0.7
518.19708	1.5
520.20624	1.0
532.21179	2.0
539.26978	0.7
545.17804	3.8
546.18848	18.1
547.23969	8.6
548.23553	1.1
550.22772	0.6
560.20410	27.6
561.20984	3.1
565.24872	3.3
577.20703	1.3
578.21436	4.3
579.26044	2.2
591.22662	4.4
592.23071	17.4
593.23425	2.1
607.25690	25.7
608.26306	2.9
611.24261	0.7
623.25116	5.6
639.28339	27.1
640.28455	2.8
641.26495	0.8
651.24567	12.9
652.25244	1.1
683.27289	100.0
684.27618	13.2
715.29932	15.7
716.29309	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	715.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32483	5.1
61.98832	100.0
69.09556	30.6
73.59589	5.4
77.99447	5.3
94.06165	5.0
98.22704	10.7
142.87187	5.7
170.07289	5.4
197.44261	5.4
238.43652	6.0
252.31400	5.2
281.24857	10.0
295.05655	6.1
303.90790	6.2
397.13400	19.2
415.14777	8.1
608.25360	6.6
702.50055	5.8
703.70349	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	716.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31854	2.2
57.03446	2.9
59.01379	7.2
65.00335	4.1
65.99857	3.0
68.99829	3.3
69.20840	1.6
70.57629	2.1
71.01385	9.7
71.40345	1.7
72.99318	14.4
73.02998	2.1
83.01404	4.2
85.02962	6.8
87.00883	2.1
95.01374	2.2
96.95972	2.0
96.97016	1.9
99.00883	3.7
103.29998	1.9
111.00887	23.0
113.02462	13.7
136.00403	4.9
139.00397	27.4
148.28587	2.2
153.01991	2.6
163.99895	2.4
171.04543	7.1
175.02489	3.9
182.06123	2.3
193.03482	4.9
225.05565	5.9
241.05095	3.4
242.08244	7.1
252.04297	3.0
252.06645	11.4
253.05099	11.9
255.06725	2.3
264.06702	2.9
268.06189	11.3
269.04675	3.6
270.05096	2.2
270.07581	10.3
271.06012	2.4
276.06638	4.5
278.08060	2.2
280.06219	20.5
281.06757	8.8
282.07593	4.0
288.06665	2.5
300.06464	2.1
304.06055	2.1
305.06870	2.5
315.03592	11.7
346.07455	2.1
382.14459	5.8
390.06168	3.1
432.12982	2.2
450.13489	21.9
450.99664	1.8
454.13553	3.1
456.09219	6.8
460.11832	4.0
478.13098	6.9
520.10229	9.2
521.10754	3.3
522.11969	16.6
523.12000	2.7
582.13928	5.5
680.14368	4.1
698.15204	100.0
699.15851	11.9
716.16449	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	716.178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22210	0.9
57.03458	3.2
59.01382	2.3
60.10425	1.1
60.35100	1.0
65.00326	3.7
65.99860	3.0
68.99827	1.9
69.87738	1.7
69.88065	2.0
71.01394	3.2
81.03504	1.3
83.01421	1.4
85.02964	3.2
87.00893	4.6
90.05640	1.0
95.01380	1.7
96.00908	1.7
101.04002	1.8
110.02502	3.1
111.00893	4.2
112.98817	10.9
113.02464	19.9
115.05545	4.5
117.03470	1.1
120.00908	1.9
121.01774	1.3
121.03012	1.5
122.02491	1.5
123.00900	1.3
123.03285	5.7
129.07121	2.7
131.05040	12.4
134.02487	5.8
135.03291	6.3
136.00426	5.7
138.01982	2.9
139.00375	1.7
140.05063	1.2
141.07152	2.5
143.05035	2.5
145.06598	3.5
148.04042	2.1
151.02765	6.7
151.05498	1.5
153.07086	2.9
155.02260	3.2
155.05051	3.5
156.08171	1.9
157.06587	11.6
159.04478	2.4
163.99893	3.6
165.00703	5.9
165.01898	1.1
165.07094	1.6
166.01460	1.8
169.06622	1.7
171.04541	5.1
173.06111	4.7
175.04016	3.1
175.07574	1.9
180.08214	2.0
181.06622	3.6
183.08153	2.5
184.05254	1.1
184.07779	1.7
185.06142	6.2
187.02744	1.6
189.00723	1.2
192.02995	5.0
197.06093	4.4
198.09427	1.2
199.07663	4.1
200.07140	1.6
200.11914	1.1
201.05608	2.1
208.05138	1.1
208.07669	2.2
209.06139	1.9
211.07738	1.4
215.07121	1.9
220.07716	2.5
220.10008	1.2
223.07732	3.0
224.07191	2.8
225.05580	14.7
226.08742	4.9
227.07207	5.9
228.06676	2.3
229.05052	4.0
231.02974	3.1
232.07727	2.0
240.06567	1.0
242.08231	53.8
243.08525	1.8
246.09523	1.4
248.07162	2.8
250.08745	2.1
252.06683	3.3
253.05048	1.3
255.06541	6.4
262.08682	1.0
267.06601	2.6
268.06143	9.2
269.04504	3.2
269.06992	3.7
270.07727	100.0
271.06024	3.2
271.08176	3.7
271.11081	2.4
276.06613	1.7
278.04694	1.9
278.08301	2.0
280.06128	1.5
285.12814	1.6
289.07239	8.4
291.09201	1.5
294.07724	3.5
295.11215	1.9
296.05673	2.0
296.14606	1.3
302.08215	1.7
306.07693	1.2
311.10669	3.3
313.12338	4.0
323.10873	1.6
323.71387	1.2
329.11850	3.4
339.10300	4.7
341.11621	2.3
355.09839	1.7
356.12698	1.2
357.11273	4.8
359.06094	2.5
367.09726	8.3
370.14554	1.1
380.12894	5.7
382.10699	4.0
382.14648	2.9
383.09341	4.2
385.10815	1.7
385.54712	1.0
398.13998	22.2
434.14035	1.3
440.15042	5.7
450.13513	24.2
451.13770	2.0
454.12836	1.5
474.05249	1.1
478.12711	2.6
522.11749	5.4
540.17975	2.2
554.66650	1.5
563.73938	1.1
564.18665	2.4
566.19904	4.2
582.19275	6.8
592.17883	3.4
610.18671	25.3
611.19000	2.2
636.16736	7.0
654.17847	19.7
655.18762	2.1
672.01416	1.2
672.18823	25.3
672.30511	1.2
673.18768	2.6
716.17694	32.5
717.17737	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	716.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38017	24.6
67.44291	24.7
69.45645	100.0
83.23762	26.5
103.34373	26.5
107.28369	23.0
119.05024	30.1
122.02502	77.6
125.09684	38.0
135.04567	43.4
281.06824	29.2
329.90213	27.2
518.52283	26.9
669.68439	32.1
715.39093	30.3
716.39832	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
65.41556	0.6
66.60854	0.5
69.35504	3.2
70.49142	0.6
71.01373	0.7
72.42038	0.5
82.13249	0.6
89.02448	0.8
96.96063	0.8
99.02784	0.7
101.02444	0.8
113.02515	0.6
117.53393	0.8
118.39137	0.7
118.98127	1.1
120.01268	100.0
120.13501	0.6
122.00815	0.9
133.02975	0.8
135.04491	0.7
139.99249	0.7
145.66971	0.7
151.44267	0.6
161.02390	0.9
175.04008	0.8
192.99521	0.9
220.09807	1.2
234.53441	0.7
244.87816	0.7
285.04028	1.8
364.99637	1.4
610.72174	0.8
676.14606	0.7
717.31647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98766	0.2
59.01386	0.4
61.98835	100.0
68.72562	0.2
69.16367	0.9
75.99331	0.2
79.62370	0.2
93.35268	0.2
94.40338	0.2
96.96061	0.2
116.20550	0.2
128.60332	0.2
144.73572	0.2
155.09901	0.2
183.68155	0.2
255.23372	0.4
398.13889	0.3
399.14197	0.3
404.14700	0.2
417.14426	0.2
436.14777	0.2
614.19855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52050	1.1
57.03440	2.7
57.40848	1.1
59.01384	39.8
65.00334	7.2
71.01384	24.4
72.99314	34.6
73.02947	12.7
75.00828	1.2
83.01423	1.6
85.02958	25.3
87.00909	1.7
89.02451	14.5
91.28457	1.2
92.99831	1.4
94.76875	1.1
95.01398	4.3
96.96020	1.6
96.99339	1.9
99.00890	1.7
101.02457	10.4
103.00388	14.6
104.51451	1.0
113.02463	39.5
118.47497	1.2
124.01717	1.4
129.01926	2.2
131.03513	12.6
133.01448	4.1
136.98825	5.4
136.99727	1.1
137.19533	1.0
152.01218	1.8
157.01422	3.8
163.02507	1.4
164.98273	14.6
171.04539	1.5
175.02510	4.0
193.03540	100.0
194.03964	3.1
197.06087	1.4
229.58220	1.1
241.05058	4.2
243.06644	4.7
253.04947	1.4
269.04556	27.8
270.04755	2.7
271.06104	9.7
285.03934	2.1
319.06061	1.6
323.05551	1.5
351.05078	4.9
375.04892	1.2
391.20349	1.7
417.06055	3.1
419.04120	7.4
447.09155	3.4
479.12106	1.4
495.11176	1.6
505.09332	1.4
523.10260	10.4
524.10449	1.4
663.77502	1.5
716.30560	2.1
717.31921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28672	0.7
57.12188	0.8
59.01379	5.0
64.94511	0.6
65.00335	10.5
69.15722	2.9
69.16136	1.5
71.01387	2.8
72.99306	3.0
73.02957	1.2
75.00864	0.7
85.02974	3.9
87.00882	1.0
89.02438	1.7
92.99827	1.8
95.01405	2.0
96.96035	1.2
96.99324	1.9
99.00893	1.1
101.02459	1.6
103.00390	1.3
108.02190	1.0
111.00895	6.9
113.02470	6.9
119.78126	0.6
120.99326	0.9
124.01679	8.4
127.06371	0.7
131.03499	1.8
131.64452	0.7
134.91014	0.7
136.01692	2.3
136.98814	9.6
139.00360	3.5
152.01176	8.0
157.06636	0.7
164.98306	18.6
166.99918	1.7
171.04529	2.6
171.08156	1.4
173.06085	8.4
175.02501	1.4
177.99063	1.1
180.00633	0.9
181.06602	1.3
185.06047	1.4
193.01790	1.0
193.03551	15.1
197.06154	1.0
199.03976	1.3
199.07599	1.1
201.05617	1.0
213.05547	0.9
225.05548	3.6
227.07150	2.6
229.05109	1.8
241.05142	8.5
243.06633	52.2
244.06967	2.8
253.05087	19.7
254.05379	1.4
269.04568	63.5
270.05042	4.0
271.06143	100.0
272.06512	5.1
277.69879	0.7
333.20969	1.9
447.09348	66.8
448.09729	3.9
535.13721	0.8
624.36646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
71.01389	1.7
71.39774	0.4
72.99322	3.1
75.00888	0.4
76.34998	0.4
78.95905	0.5
81.03448	0.4
85.02984	0.5
89.02454	2.6
93.03432	0.5
96.96047	0.7
101.02450	1.0
108.02207	0.6
109.02966	27.2
110.03288	0.5
113.02479	0.7
113.03973	0.5
119.03474	0.8
121.02955	1.0
122.03723	0.5
123.04533	1.5
133.03011	0.6
134.03766	0.8
135.04552	6.8
136.01656	0.4
137.02477	0.7
145.02994	1.4
147.04536	1.4
149.02472	1.4
150.03284	2.5
151.04019	0.5
157.02966	1.6
159.04535	2.3
160.01721	0.4
161.02454	1.1
165.05600	1.8
165.06978	0.8
173.02449	1.9
175.04028	1.5
177.05574	0.4
179.03552	2.4
185.02454	19.6
186.03252	4.4
187.03867	0.6
193.06595	2.2
195.04552	0.4
195.06616	0.9
197.04581	1.9
197.06139	0.5
203.03418	0.7
207.04565	0.5
208.05299	0.5
209.06059	1.4
211.07648	0.6
219.04515	0.9
220.05302	1.1
221.06122	3.4
223.04062	0.9
224.04787	0.9
225.05602	2.1
229.01295	0.4
232.05246	0.9
236.04776	0.7
237.05635	2.0
239.07137	1.1
247.04042	1.4
248.04776	2.4
249.05562	8.2
249.11003	0.4
250.02667	0.4
250.05989	0.6
251.03513	5.3
252.04292	1.9
253.04869	1.3
260.04849	0.5
263.03485	0.5
264.04340	1.1
265.05127	6.5
266.05756	1.3
267.06558	2.5
271.05923	0.4
275.03537	1.6
276.04413	1.8
277.05081	10.7
278.05368	0.6
279.03043	14.7
280.03714	5.0
292.03949	1.1
293.04590	12.5
294.05017	1.1
295.06146	22.3
296.06467	1.3
301.03510	3.0
303.02939	2.2
309.07538	0.5
313.07205	0.7
321.04065	100.0
322.04385	7.1
326.11484	0.4
339.05112	24.0
340.05457	1.6
341.13916	0.5
475.10333	0.5
493.11026	2.0
507.18924	0.4
519.09375	40.4
520.09766	4.2
537.10278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01181	1.2
59.01384	13.5
64.26637	1.5
69.15511	5.4
69.15923	4.2
83.02786	1.6
95.05003	3.0
98.22638	4.0
105.05851	2.5
107.03758	2.5
120.08212	30.3
121.05330	3.7
122.06133	62.9
125.52314	1.8
134.06136	6.4
136.07681	2.5
144.04559	4.1
164.07173	2.8
174.05598	5.6
200.07280	1.9
203.05820	4.5
215.11794	2.7
236.09538	6.6
237.10344	3.6
239.11871	3.5
241.13457	2.3
249.10239	3.7
249.13963	2.0
251.11909	24.3
251.39008	1.6
261.39642	1.7
263.08344	3.5
263.11798	3.3
264.08975	3.9
265.09778	2.1
265.13437	4.7
266.10632	1.8
276.09094	5.0
277.09811	11.5
278.10574	7.1
279.11133	4.2
287.13916	2.0
291.11469	22.9
292.12173	20.5
293.09674	3.5
293.12952	22.6
294.09854	2.4
294.13644	2.9
295.10782	3.6
319.10883	2.2
324.11404	1.9
325.11951	4.1
335.10526	9.7
336.11176	5.9
337.11896	5.0
359.16196	3.4
370.19547	2.2
372.17261	12.5
373.17807	5.5
374.18643	5.2
384.13184	2.8
386.14551	2.3
400.16687	5.3
412.16327	2.4
414.18320	21.9
415.18829	7.7
418.17685	8.6
441.16705	4.6
446.21204	2.4
458.17285	15.3
459.17938	20.9
460.18484	2.9
469.70667	2.0
490.19897	44.6
491.20496	7.5
494.24872	2.3
495.23849	3.7
518.19885	1.7
537.17462	2.6
537.25079	38.0
538.25275	2.7
547.19147	2.1
550.21826	2.1
562.20605	2.3
580.91895	1.9
581.24115	100.0
582.24164	10.0
609.26251	3.1
613.26660	72.9
614.27386	9.8
641.26733	6.2
673.28931	2.2
685.27844	10.0
717.28699	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	717.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.1
64.61126	1.9
69.48763	4.3
69.49148	5.9
72.38841	2.0
95.05003	4.4
96.96021	2.0
105.05843	2.8
107.03783	4.4
120.07391	3.5
120.08206	44.6
120.99640	3.8
121.05312	6.6
122.06129	84.3
134.06102	4.5
144.04561	7.5
160.04073	2.6
164.07159	4.8
169.22430	2.3
174.05585	5.6
203.05925	6.5
215.11836	3.4
225.14005	3.4
229.93961	2.1
236.09584	5.1
237.10330	6.8
239.11853	3.0
241.13547	2.8
249.10344	3.2
250.11034	5.1
251.11914	38.0
262.07510	1.9
263.08182	5.5
263.11884	4.9
264.08990	5.3
264.12747	2.3
265.13458	7.6
267.11282	2.8
276.09027	6.3
277.09854	19.7
278.10510	7.4
279.11353	6.3
283.10834	3.2
291.11392	34.7
292.12109	34.5
293.09549	4.2
293.12933	30.8
295.10760	3.0
296.11673	2.7
307.11038	2.5
319.11017	1.9
325.11935	5.3
325.15448	2.5
335.10379	11.6
336.11105	7.1
337.11819	5.3
344.13992	6.0
358.15576	6.8
372.17328	13.0
373.17892	6.6
374.18918	10.4
386.14960	5.6
399.15817	3.8
400.16351	7.0
414.18237	35.4
415.18900	11.1
418.17773	14.3
441.17130	4.2
446.20810	5.6
458.17322	21.2
459.17950	27.2
460.18573	2.7
490.13028	3.7
490.19824	46.2
491.20282	7.0
493.26105	2.7
495.23911	5.9
518.19073	2.8
537.25208	36.4
538.25043	4.4
550.21863	9.7
559.55792	2.3
581.24109	100.0
582.24213	12.6
597.27161	4.0
613.26758	81.2
614.26971	9.8
641.26074	13.4
673.28815	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	717.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16670	0.4
56.42117	0.4
58.99613	0.9
59.01385	100.0
60.01702	0.5
69.18501	2.3
71.01384	3.2
73.02979	0.8
74.99107	4.1
85.02958	1.7
87.00883	18.7
95.01395	0.5
99.00864	0.6
101.02474	1.5
102.98606	3.1
107.98143	0.4
113.02450	1.0
119.05051	0.8
131.80775	0.4
149.02486	0.9
161.04643	0.7
164.04834	0.7
205.05130	0.5
223.06087	1.0
249.06165	25.7
250.06487	0.8
347.16925	1.2
365.17886	1.0
370.24713	0.4
407.18942	4.1
425.20187	1.6
441.29260	0.4
467.21011	1.2
550.40930	0.5
591.00342	0.5
648.65607	0.4
657.25885	0.9
717.28027	32.1
718.28223	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	717.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29615	1.0
61.98837	100.0
71.41310	1.0
79.24236	0.9
132.25984	1.2
147.85677	0.9
159.37119	0.9
256.35147	1.0
260.70294	1.0
321.03867	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62540	1.4
58.02985	1.8
59.01385	100.0
59.51342	1.3
68.87442	1.4
74.02464	2.2
74.99092	3.5
82.02980	3.5
84.04556	1.9
86.02493	17.5
88.04047	2.5
89.00710	1.8
96.96026	12.4
103.14811	1.3
109.07710	1.3
127.05186	3.9
127.08794	19.5
128.03554	95.7
129.03902	2.0
153.06718	14.5
154.20679	1.3
170.20212	1.5
171.07773	73.4
215.06773	15.4
235.11685	2.4
253.04712	3.2
268.07788	1.4
271.05890	1.5
381.17429	3.3
501.21625	3.5
507.20444	2.0
524.05933	1.8
555.22345	3.0
588.24884	55.1
589.25134	2.5
699.28076	7.7
717.29254	58.7
718.29553	4.0
724.50812	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	717.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	3.1
59.01387	14.7
68.01060	1.3
69.43319	2.3
69.43707	3.4
74.02482	9.0
80.05067	2.0
82.02996	3.8
83.01409	1.5
84.00896	2.1
84.99790	1.4
96.04566	8.2
97.04081	9.2
98.02489	4.7
99.00887	2.0
99.05666	5.9
100.00386	2.0
105.96169	1.3
108.04573	8.2
109.02972	1.4
109.04107	2.2
110.02523	3.7
112.04066	5.7
112.07703	6.9
113.03604	2.6
117.03534	1.7
122.06138	4.4
124.04067	8.9
125.03590	17.9
126.05605	3.7
127.05159	4.4
133.02936	1.9
137.07202	9.5
138.05632	5.3
139.05145	10.0
140.07172	4.5
143.04642	5.7
147.04597	1.8
147.05653	3.8
150.02066	2.9
150.03246	6.4
151.05151	2.9
152.03548	5.4
155.08308	8.9
160.05272	1.6
162.63272	1.4
163.05141	2.4
165.05548	4.0
165.06720	20.3
170.60258	1.3
177.12888	2.0
178.01466	4.9
179.04695	1.5
181.06252	8.0
183.07776	3.9
191.04683	3.2
195.06616	2.5
196.02457	2.8
209.05716	13.6
225.03050	2.4
225.05197	33.6
227.06761	11.4
253.04695	100.0
254.04967	2.9
257.04480	2.3
271.05750	57.6
272.06305	1.6
279.08728	2.4
317.02838	2.0
329.13925	3.8
341.21524	15.3
355.11816	3.1
361.14417	6.5
403.21548	2.5
417.06079	5.2
419.04276	2.8
435.07132	4.9
445.22751	9.0
477.19214	6.5
525.21423	6.3
555.22107	2.2
613.28113	6.6
657.27313	7.0
658.27075	1.5
699.28748	1.5
717.29187	34.3
718.29126	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	717.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	17.6
64.51100	3.2
66.39631	3.9
71.01379	13.4
83.01383	6.0
85.02947	5.2
98.21810	8.3
101.02435	10.4
113.02500	9.1
119.01414	7.2
119.05033	8.3
121.02934	6.7
133.08345	4.1
147.00865	7.5
147.04558	6.3
149.02478	61.7
163.04079	4.1
164.04834	53.3
175.00398	47.0
176.01161	16.1
190.02739	100.0
191.03499	15.4
205.03238	7.0
205.05074	96.0
208.03705	4.2
223.06123	57.1
251.11433	9.1
261.22211	10.7
265.07327	6.4
295.08072	4.4
305.21121	11.0
325.09406	6.3
349.20261	14.0
358.19974	4.2
367.10391	5.9
387.18216	6.1
426.41180	3.9
467.26477	24.4
483.91129	3.6
511.25562	18.9
518.73248	3.8
629.33453	12.4
673.22443	5.8
673.32587	59.2
674.32343	6.0
717.31274	66.5
718.31775	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	718.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28871	1.7
59.01381	5.5
71.01382	1.8
82.54279	1.4
84.41159	1.9
89.02467	1.6
107.01402	2.0
107.74780	1.5
133.02960	7.3
137.95605	1.6
151.00392	4.2
195.42291	1.7
199.03918	2.9
201.01860	2.5
217.05019	1.6
241.05148	1.9
242.80374	1.9
284.03351	4.5
285.04077	100.0
286.04410	5.3
366.22607	1.7
376.31876	1.6
447.09344	82.5
448.09662	5.2
717.33148	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	718.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	30.0
68.99844	0.8
69.06958	4.5
71.01385	11.0
73.02953	33.2
83.01402	7.5
85.02960	1.4
87.00899	2.0
89.02466	3.4
94.03020	3.7
95.01396	3.4
96.96046	1.0
97.02983	1.0
97.45517	0.7
101.02455	20.4
101.03114	1.2
108.02160	3.4
111.00869	0.9
113.02447	3.3
117.03450	1.1
118.04325	0.9
119.03516	1.4
121.02985	1.3
123.00901	12.0
124.01670	27.2
133.02888	0.7
143.03534	1.4
143.05035	0.8
146.03773	2.3
149.04520	0.8
159.04536	4.6
161.04559	4.5
166.12453	0.8
170.03719	0.7
171.04564	2.7
172.05315	17.6
173.05768	1.2
187.04004	12.1
188.04803	4.7
199.03963	1.5
203.05862	0.9
215.03510	6.1
216.04277	51.3
217.04669	2.3
237.49066	0.7
257.08221	6.1
351.11099	1.9
352.11920	100.0
353.12222	9.0
394.12842	1.4
422.45279	0.8
475.36545	0.7
483.82587	0.9
496.16296	2.5
514.17023	6.4
538.18933	0.7
542.11884	2.3
566.83093	0.8
578.49786	1.0
658.21387	2.2
676.22168	6.5
718.23547	43.1
719.23956	6.5
723.55511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11592	1.1
58.02986	10.1
59.01389	7.8
63.62113	1.1
66.03484	2.4
69.54472	5.1
69.54803	1.6
71.43311	1.4
73.98335	2.3
74.02480	24.2
77.85365	1.3
81.04611	1.8
82.02998	2.4
84.00940	1.4
86.02491	8.8
86.06110	1.6
86.19695	1.3
87.05630	4.5
97.04085	2.9
98.21884	1.4
99.05654	19.9
101.07201	5.5
102.05621	3.5
104.09187	1.2
107.06176	1.3
109.04073	4.2
111.05670	1.9
112.04073	2.2
123.05617	2.5
124.04017	1.7
125.03567	2.1
127.05096	2.5
128.03557	55.7
135.05630	6.9
141.06732	2.4
143.04636	73.1
144.04976	1.8
145.06235	2.0
146.04657	6.0
153.06726	4.1
166.09836	3.6
167.04567	2.4
167.08273	3.7
177.12849	2.6
179.04637	16.0
181.06206	3.5
185.05663	2.1
189.70912	1.4
192.07828	1.8
194.04657	1.5
197.05731	1.6
210.08882	16.9
227.43727	1.2
254.07834	34.4
255.08099	1.8
272.08908	100.0
273.09222	3.9
285.04047	6.5
308.95654	1.5
341.21579	10.5
385.20245	2.6
403.21680	1.9
445.22626	3.2
455.32413	1.5
461.06854	1.8
596.30353	2.9
614.31140	19.8
615.31757	1.8
640.29285	2.2
658.30231	45.5
659.30334	3.8
718.32373	28.5
719.32257	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	718.366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35418	1.6
59.01385	48.0
68.89148	1.7
69.86009	3.9
69.98306	1.4
71.01382	24.4
73.02938	4.3
81.03490	1.8
82.72899	1.6
83.01414	3.7
85.02967	5.8
87.00864	4.8
89.02448	27.8
91.45412	1.6
92.62812	1.4
95.01418	2.3
97.02975	5.8
101.02446	24.2
105.48468	1.6
113.02451	10.3
119.03503	5.4
125.02425	7.9
143.03505	5.6
161.04579	7.3
167.03499	1.6
178.22101	1.4
179.05598	6.6
221.06776	2.8
235.08243	12.5
253.09358	3.4
277.21741	82.1
278.22046	4.8
287.07755	4.9
305.08862	2.6
397.13522	100.0
398.13812	4.4
404.97324	1.6
415.14612	37.0
674.21503	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	718.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03453	1.0
58.00588	1.0
59.01385	50.4
60.01699	0.5
61.98816	1.6
68.77044	0.4
68.99805	0.6
69.03451	1.8
71.01385	29.6
72.99310	1.3
73.02957	5.4
81.03454	1.5
83.01398	4.0
85.02967	5.0
87.00877	6.9
89.02453	30.9
89.26183	0.4
95.01401	2.0
97.02962	5.3
99.00879	1.7
101.02450	25.1
107.91579	0.4
109.02956	0.6
111.04528	1.2
113.02457	11.8
115.04028	0.5
119.03511	9.0
121.02999	0.5
123.04547	0.5
124.01637	0.8
125.02464	11.6
127.07632	0.4
131.03503	1.5
131.54611	0.4
133.05093	0.8
139.03952	0.6
141.01973	0.7
143.03519	4.2
149.04556	1.4
155.46588	0.4
161.04562	6.8
167.03513	0.5
169.05049	0.6
171.02943	0.5
177.93639	0.4
179.05634	6.0
182.80414	0.4
185.04611	0.5
199.06090	0.5
217.07236	1.2
221.06630	1.6
235.05975	1.0
235.08238	11.8
236.08524	0.7
245.06721	0.6
253.09366	1.7
256.38800	0.4
259.20691	0.8
263.07751	1.3
277.21741	79.0
278.22025	5.2
287.07791	3.1
305.08868	3.5
322.36722	0.4
323.09839	1.7
379.12534	1.6
397.13528	100.0
398.13907	5.5
415.14597	33.1
416.15024	1.6
552.20209	0.4
579.11237	0.5
675.35980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03440	1.6
57.07252	0.6
57.18884	0.6
59.01374	2.2
63.02378	0.6
65.00336	1.2
70.09647	1.4
70.09994	0.9
71.01379	2.9
75.00880	1.1
75.34356	0.7
85.02959	6.6
87.00905	0.7
95.01393	3.0
97.02978	1.2
99.00890	10.6
103.00366	0.8
104.62906	0.6
111.00887	5.8
113.01714	1.2
113.02462	11.8
119.05043	2.7
123.00884	3.9
136.98824	0.6
139.00388	6.9
141.01955	100.0
142.02264	1.4
143.05016	1.5
151.00410	1.8
153.01942	2.2
171.04564	1.4
175.02475	4.1
201.05426	1.2
211.07642	1.0
213.05609	1.8
241.41261	0.7
247.35265	0.7
255.06650	24.2
256.06906	2.0
269.04340	1.4
285.04050	0.9
287.05634	52.5
288.05942	2.4
318.63510	0.7
431.09695	3.1
459.51080	0.9
542.23279	0.8
747.57312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01590	0.2
56.61163	0.2
59.01384	38.1
60.01711	0.4
61.98840	0.4
69.03469	0.2
78.03477	1.1
82.95444	0.3
117.00735	0.2
119.05037	0.3
122.02493	100.0
123.02832	2.5
178.08760	1.0
213.06660	0.3
222.07742	1.1
274.37775	0.2
277.21545	0.3
278.22025	0.3
313.18192	0.2
559.24982	0.3
659.29651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95376	2.8
57.03461	6.0
58.49822	2.8
58.63680	2.9
59.01384	20.6
61.98825	7.1
62.03078	3.0
69.17296	19.6
70.79555	2.7
71.01381	16.3
73.02934	4.1
73.44456	2.8
85.02937	6.7
89.02467	4.4
101.02459	8.7
107.39496	4.1
113.02457	10.0
119.01368	4.2
119.03481	3.1
119.05014	10.6
121.02956	17.1
132.98621	3.5
135.04503	7.6
136.85771	2.7
145.02974	4.0
147.00963	4.7
147.04507	4.4
149.02455	85.5
154.85353	3.0
163.04025	4.9
164.04800	63.8
165.01901	4.4
175.00389	35.4
175.01779	5.3
176.01096	6.8
179.07132	8.3
190.02725	100.0
191.03398	9.5
205.05077	96.8
206.05493	6.8
219.13783	3.7
223.06123	86.0
224.06474	4.4
236.69394	3.1
265.07184	15.7
351.21762	10.7
367.10507	8.3
513.27136	19.5
675.33911	97.7
676.34125	8.7
719.33014	45.0
720.33258	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	719.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
59.01386	22.6
61.98832	2.3
66.94978	0.9
69.03467	1.6
69.44609	2.8
69.45018	1.9
71.01385	23.1
73.02952	6.1
82.95415	1.1
83.01392	4.3
83.05044	2.8
85.02961	12.2
87.00878	1.9
89.02440	5.5
91.01904	1.5
93.03477	2.4
95.01396	2.9
96.96017	19.4
97.02962	1.5
99.00887	2.7
101.02461	10.6
106.61975	0.9
109.02975	0.9
113.02454	12.6
117.03468	2.9
119.01407	3.4
119.03510	2.4
119.05051	4.9
119.96293	0.9
121.02957	15.0
122.02538	1.9
125.02486	1.9
132.02176	1.7
134.03683	1.5
135.04538	5.0
137.02472	1.0
143.03490	1.1
147.00879	1.4
147.04543	5.6
149.02458	98.9
150.02922	3.4
161.02457	1.6
161.04553	3.7
163.04022	4.0
164.04811	74.1
165.05243	3.8
171.10229	0.9
175.00377	20.8
176.01137	5.4
179.07161	7.8
189.01901	1.1
190.02737	52.9
191.03468	8.0
193.01398	2.7
196.02527	2.0
205.05075	54.6
206.05685	3.6
207.02969	1.2
208.03831	7.8
209.04642	2.2
221.08252	2.0
223.06125	87.8
224.06520	2.7
227.03577	1.3
247.06113	1.9
255.03154	1.3
261.22198	1.5
265.07220	3.9
273.18579	1.5
277.21826	1.4
283.02478	1.4
284.03198	1.5
285.03958	1.5
307.22751	1.4
325.18524	1.3
349.01962	1.0
349.20395	0.9
351.21854	9.3
367.10443	2.8
383.09839	1.9
469.28152	2.6
495.26172	9.3
513.27289	19.6
514.27740	1.8
530.34167	1.0
668.84686	1.2
675.33875	28.9
676.34424	3.1
719.32959	100.0
720.33252	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	719.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62946	1.2
59.01388	10.6
69.03437	2.3
69.31639	2.3
69.32037	3.8
71.01391	12.2
73.02948	3.8
81.68139	1.3
83.01401	1.7
83.05013	1.4
83.85958	1.3
85.02972	6.9
89.02441	2.0
89.94391	1.2
91.01911	2.5
93.03436	1.8
95.01432	1.1
95.67307	1.2
96.96019	1.5
101.02489	5.7
111.08153	1.7
113.02453	6.3
119.01393	5.2
119.05061	4.0
121.02974	14.4
124.76862	1.1
132.02228	2.2
135.04510	3.6
145.02863	1.2
147.00902	5.0
147.04523	6.3
149.02451	72.7
150.03079	2.1
159.03018	1.4
161.02515	1.9
161.04591	1.7
163.04034	5.2
164.04805	64.1
165.01904	1.4
165.05379	1.7
175.00372	35.7
175.04050	1.8
176.01147	8.5
177.01924	1.7
179.07109	6.5
180.88567	1.2
189.02051	1.5
190.02731	93.0
191.03392	9.9
194.02264	1.2
205.05063	100.0
206.05634	4.7
207.03059	1.6
208.03679	2.2
209.04576	2.8
219.14015	1.6
221.08214	3.7
223.06129	72.8
224.06448	1.7
250.04767	1.9
261.03754	1.4
265.07132	10.4
277.21643	2.1
287.24866	1.4
305.21243	1.2
307.22946	2.1
325.09320	1.9
351.21774	12.5
363.71912	1.2
367.10275	8.8
383.09738	1.3
439.43259	1.3
469.28513	2.5
493.20853	1.3
495.26273	1.9
512.41284	1.4
513.27191	11.5
626.54114	1.4
675.33899	84.8
676.34082	10.0
719.32935	54.0
720.33282	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	720.382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
59.01385	44.6
59.09912	1.2
61.97718	1.0
61.98832	1.7
63.84836	1.0
69.03442	1.4
71.01384	25.7
73.02954	3.8
83.01401	4.2
85.02947	6.0
87.00871	7.4
89.02447	24.9
95.01469	1.3
96.51268	1.0
97.02953	5.2
99.00877	1.4
101.02444	24.5
113.02450	9.7
119.03525	8.4
125.02444	10.7
139.04109	1.0
143.03500	5.1
161.04596	6.4
179.05620	4.1
221.06502	1.5
235.08289	11.7
253.09447	2.0
279.23309	83.7
280.23724	5.8
287.07800	3.5
305.08640	3.7
306.37955	1.2
379.12372	1.8
397.13531	100.0
398.14032	6.2
415.14578	35.6
416.14920	2.7
459.75122	1.3
677.37189	1.9
708.88623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65514	2.6
51.33245	2.7
58.17916	2.8
59.01386	45.4
61.98831	3.4
68.32104	2.4
71.01402	26.4
73.02955	4.7
73.34260	2.6
76.68575	2.4
78.44593	2.4
83.01399	4.2
85.02965	6.8
87.00904	3.6
89.02456	28.2
97.02942	3.9
100.37669	2.5
101.02452	20.0
113.02470	8.7
119.03526	6.1
119.05006	2.9
119.94682	3.6
125.02473	11.8
137.27443	2.4
143.03520	4.6
159.31715	2.7
161.04610	3.8
179.05661	7.7
235.08272	9.6
253.09283	3.3
275.90439	2.5
279.23343	82.2
280.23737	5.3
291.65900	2.9
386.10602	3.1
397.13568	100.0
398.13745	5.6
415.14713	34.6
540.19928	2.9
541.91620	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	720.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22394	0.3
81.03467	3.0
83.05036	8.7
100.79408	0.4
102.66294	0.4
124.63657	0.4
125.07182	0.5
125.57787	0.4
130.32065	0.4
140.33597	0.5
207.14948	0.6
224.17714	1.2
225.16089	8.5
225.18271	0.4
242.18889	0.4
305.49103	0.4
309.21768	0.6
333.23047	0.7
341.29263	0.5
367.27084	0.9
433.32071	0.5
450.34918	0.8
451.33011	5.2
465.28970	0.5
550.44342	0.5
593.44055	0.7
659.48523	0.5
677.49744	100.0
678.50006	12.9
720.49951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.1
69.74031	0.5
71.01370	0.2
79.95743	3.4
96.96021	100.0
97.95957	0.2
97.96516	0.1
113.02449	0.3
133.02962	0.5
135.04546	0.3
161.02454	1.6
252.57341	0.1
289.47079	0.1
388.14655	0.1
623.19965	1.3
661.14685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30011	0.1
53.77572	0.1
58.73842	0.1
59.01367	0.1
77.81679	0.1
79.95744	3.2
85.02959	0.2
90.11241	0.1
96.96022	100.0
97.95980	0.2
113.02473	0.2
119.56438	0.1
123.79066	0.2
133.02963	0.6
135.04486	0.2
161.02467	1.8
190.82362	0.2
208.30840	0.1
331.55875	0.2
457.04886	0.1
558.12994	0.2
623.19922	1.3
660.30676	0.1
661.13995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
58.02972	0.8
59.01386	4.3
69.17661	3.3
71.01382	8.4
73.02948	1.0
74.02482	0.9
77.15811	0.5
79.95765	0.6
83.01379	0.5
85.02959	10.3
89.02453	2.1
95.01398	4.3
96.04555	1.1
96.96030	1.6
97.04097	0.7
99.05653	0.8
101.47488	0.5
107.05007	0.7
108.04554	0.8
108.23203	0.4
112.04080	0.9
112.07684	1.0
113.02459	16.3
113.03615	0.7
123.83944	0.5
124.04105	0.6
127.00350	1.0
138.47232	0.5
139.02235	2.8
140.07196	1.2
155.08260	1.4
162.21872	0.5
164.53606	0.5
165.06631	1.2
167.01736	21.8
168.02063	0.6
183.07790	1.5
185.02824	1.0
190.87138	0.5
227.06709	3.7
347.07980	2.1
447.33246	0.5
484.42508	0.5
492.12598	0.7
493.13889	100.0
494.14008	5.6
499.85059	0.5
721.21820	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	721.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
58.02964	0.4
59.01381	5.5
59.03608	0.4
60.13356	0.4
66.76611	0.4
69.38786	1.7
71.01389	6.7
74.02448	0.5
78.95908	0.5
79.95741	1.5
83.01378	0.5
85.02956	8.8
89.02448	1.7
95.01397	3.7
96.04573	0.8
96.95998	0.8
97.04092	1.0
99.05656	1.0
103.21463	0.4
107.05016	0.7
108.04534	0.7
112.04061	1.0
112.07733	0.7
113.02458	17.9
121.94493	0.5
124.04055	0.5
127.05129	1.1
133.02945	0.7
139.02243	3.0
140.07259	1.0
141.01965	0.8
155.08272	1.4
161.04523	0.6
165.06718	1.6
167.01736	23.0
168.02203	0.4
183.07764	1.3
185.02766	1.0
223.04294	0.7
227.06767	3.7
241.01715	1.7
241.05423	8.5
287.02026	0.4
329.06711	0.5
347.08069	1.9
394.69144	0.5
479.08063	0.7
493.13895	100.0
494.14142	5.5
721.21631	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	721.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.9
65.27478	0.2
69.15648	1.7
71.01396	1.7
78.50754	0.2
85.02956	1.0
87.00877	0.3
89.02450	1.0
89.03982	0.5
95.01415	0.4
96.96033	0.5
98.21865	0.4
101.02486	0.7
105.03461	0.8
109.02914	0.5
113.02467	2.0
117.03471	1.2
119.03447	0.4
123.04582	0.3
127.04048	0.3
132.02197	3.6
133.02977	47.6
134.03812	2.1
135.04539	8.1
137.02452	0.7
160.01646	0.4
161.02466	100.0
162.02838	2.4
178.02754	0.3
179.03488	3.7
203.03421	0.3
241.51244	0.3
269.04672	0.2
369.28210	0.3
491.15698	1.5
517.19421	0.4
679.22662	3.1
721.23529	36.7
722.23969	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.84701	1.4
69.99906	3.5
75.00871	4.2
103.01504	62.1
537.24457	1.6
557.09192	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	722.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
59.39434	0.4
61.98835	100.0
65.20632	0.4
71.07362	0.5
98.21875	0.9
99.42348	0.4
119.05082	0.8
122.02534	1.0
127.50227	0.4
163.34157	0.5
591.06018	0.6
616.08850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58017	0.7
59.01399	1.3
65.00331	1.5
69.05953	4.5
73.66000	0.6
79.78361	0.6
87.17265	0.7
91.64462	0.6
96.96080	0.6
110.71374	0.5
117.03504	1.4
120.99296	0.7
124.01712	1.3
128.52582	0.6
133.02971	0.8
136.98795	3.1
152.01161	2.0
153.01895	0.6
161.02460	2.5
164.98302	7.6
171.24895	0.6
178.99742	0.9
180.00677	2.8
183.04538	2.7
185.02477	1.1
211.04010	2.2
226.02794	0.9
227.03606	0.9
239.03496	1.5
255.03012	13.4
269.04550	2.9
281.04681	0.7
283.02496	84.0
284.02884	4.2
297.04074	4.6
298.04837	100.0
299.05212	5.2
311.05591	1.9
313.07196	98.2
314.07495	6.0
351.75601	0.7
355.08118	1.9
357.13385	1.1
374.86227	0.6
439.10849	0.6
473.16382	0.7
475.12521	1.1
517.13525	79.6
518.13965	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	723.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49638	0.7
65.00330	1.3
71.40429	0.7
95.01397	1.2
108.02177	1.0
111.00880	2.9
117.05993	0.6
119.42399	0.7
123.00893	1.0
124.01666	7.2
130.14073	0.7
136.01698	1.1
136.98820	2.4
139.00407	5.4
144.90604	0.7
148.01715	3.7
152.01172	6.1
157.06593	1.3
164.01071	1.1
165.07101	0.7
166.99861	2.4
169.06616	1.1
173.06114	1.3
176.01173	5.8
192.00626	4.4
193.01364	1.1
204.00702	2.2
209.06184	1.0
215.07066	0.8
217.01398	6.7
219.08221	0.9
225.05475	3.7
227.07196	1.3
243.06624	26.4
253.04993	4.4
263.07263	1.2
270.07721	1.4
271.06134	100.0
272.06491	2.8
291.06586	1.6
304.07242	0.8
308.06924	4.0
395.12936	2.7
439.11874	27.7
440.12283	2.6
730.66821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62633	0.3
65.00359	0.4
81.89746	0.3
93.03490	0.7
101.03935	0.5
117.03484	1.7
119.05035	39.5
120.05371	0.5
121.02976	0.6
145.02950	3.7
158.05658	0.3
161.02452	1.3
163.04021	44.4
164.04361	0.9
173.00935	0.5
173.02443	10.0
183.98476	0.3
185.02504	0.3
189.01970	5.1
217.01434	2.7
233.06000	0.4
235.07567	0.6
243.21513	0.3
247.07762	0.6
261.05536	0.3
262.06384	0.6
263.07199	1.3
269.04587	0.5
277.05151	0.4
281.08221	0.6
290.05878	1.6
291.06674	6.8
301.05096	0.6
319.06134	100.0
320.06503	3.5
337.07321	1.1
349.06982	0.3
367.08276	0.7
439.10364	31.3
440.10748	1.7
547.17773	1.3
559.14520	0.9
577.15692	5.5
578.16364	0.5
723.19452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25502	0.9
59.01389	4.1
60.79152	0.8
68.61666	0.8
71.01387	2.9
73.02937	1.3
79.05282	1.0
82.14681	0.9
89.02460	1.4
96.07571	0.9
98.19793	0.9
98.22696	2.1
99.00893	2.6
101.02449	2.2
113.02469	1.2
117.03504	1.1
119.05028	2.9
121.02985	10.8
135.04597	1.0
147.04538	3.7
149.02464	58.3
150.02788	1.1
151.04095	0.9
164.04811	47.5
175.00391	2.8
179.07149	3.7
190.02745	10.0
193.01477	1.3
205.05080	19.2
208.03796	4.9
223.06139	100.0
224.06480	2.8
236.03932	1.0
413.14700	1.9
455.15643	2.2
473.16565	3.5
552.08160	0.8
650.73987	1.0
679.22253	3.8
679.49213	0.9
723.14612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79983	0.5
59.01383	1.3
61.61139	0.5
61.98844	1.4
71.01422	0.6
75.11871	0.6
85.03001	0.7
91.01919	1.2
93.29266	0.6
98.95597	0.7
101.02498	1.1
113.02551	0.8
119.01364	3.9
119.05064	0.9
121.03009	2.6
134.03786	2.0
135.04582	1.9
145.03015	1.2
147.00919	3.4
148.01636	0.6
149.02467	7.5
160.01721	0.7
161.02495	1.5
162.03250	1.5
163.04057	1.7
164.04820	5.8
165.01979	1.2
165.05379	0.7
173.02591	0.7
175.00394	20.7
175.04054	1.2
176.04880	0.9
177.05544	0.9
179.07220	2.2
190.02747	46.1
191.03444	2.4
205.05078	37.9
206.05502	1.9
207.02982	1.0
209.11842	0.8
223.03983	1.2
223.06035	8.2
233.06033	0.9
234.06795	0.7
235.07686	3.8
237.05621	2.0
239.07117	1.7
242.73950	0.8
247.06201	1.1
249.05528	2.1
250.06436	1.3
251.03520	1.6
251.07120	4.7
263.07162	2.8
265.05011	1.4
265.08997	0.7
266.05917	1.5
266.09540	2.3
267.06662	11.8
268.06915	0.7
277.05206	1.3
278.05893	1.3
279.06650	28.8
280.07074	1.4
281.08026	1.0
290.05905	1.3
291.06659	13.3
292.07474	5.1
293.08087	1.8
294.05423	1.7
294.09036	5.2
295.06140	34.0
296.06390	1.5
305.08246	1.7
306.08963	14.1
307.06165	50.1
307.09445	2.4
308.06592	3.2
309.07642	3.4
310.08481	31.9
311.09018	2.3
321.07721	3.1
322.08487	24.1
323.09045	2.1
324.09943	1.3
325.10834	72.5
326.11237	4.0
337.10843	100.0
338.11237	6.7
352.08255	1.2
353.09140	1.0
355.11752	1.6
360.67960	0.7
367.10352	37.7
368.10767	2.1
693.21796	5.4
723.22949	28.2
724.23676	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	723.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67414	0.6
59.01400	2.3
61.98852	1.1
69.16939	1.3
69.17342	3.2
71.01405	1.7
71.11062	0.7
72.60421	0.7
77.66555	0.6
83.82768	0.7
85.02985	0.9
85.46562	0.7
91.01906	1.3
93.03496	1.4
93.40356	0.8
98.21906	1.8
113.02465	0.7
119.01392	5.0
119.05054	1.2
121.02984	2.6
126.21239	0.7
133.02928	1.0
134.03789	1.7
135.04558	1.1
145.03014	1.5
147.00929	3.7
149.02449	10.3
149.03456	0.9
150.03262	1.0
160.01703	1.2
161.02486	1.7
162.03221	1.5
163.04073	1.5
164.04825	7.6
165.02037	0.9
173.78168	0.8
175.00374	24.2
175.04068	2.7
175.05530	0.7
176.01013	2.1
177.05602	2.0
179.07172	0.9
188.04758	0.9
190.02731	54.5
191.03316	2.7
193.05132	1.0
195.08119	0.8
205.05060	46.5
206.05615	1.3
207.08441	0.8
208.03777	0.8
209.04500	1.3
209.11839	1.7
221.06151	1.5
223.06032	8.7
233.06224	0.8
234.06958	2.2
235.07710	3.8
235.67194	0.7
237.05638	2.8
239.07285	1.9
242.13074	0.8
243.73097	0.8
247.06154	1.3
249.05603	1.8
250.06274	0.8
251.03337	1.3
251.07237	4.9
262.06464	1.1
263.07181	1.8
265.05002	1.2
266.05890	2.6
266.09589	2.0
267.06628	9.6
277.04953	0.9
278.05716	0.9
279.06641	27.8
280.07129	1.3
281.08435	0.9
290.05807	2.8
291.06683	15.1
292.07489	5.1
293.08109	1.3
294.05655	1.6
294.09009	7.0
295.06137	34.9
296.06641	3.0
305.08228	2.2
306.05472	1.2
306.08963	16.0
307.06137	51.7
307.09348	2.7
308.03156	0.8
308.06552	2.9
309.07700	5.4
310.08472	37.0
311.08923	2.3
321.07742	3.7
322.08475	32.7
323.09003	3.6
324.10052	1.1
325.10825	75.1
326.11185	4.6
337.10834	100.0
338.11255	6.8
352.07886	1.5
353.08871	1.5
355.11978	1.3
367.10349	43.5
368.10776	1.8
630.06073	0.8
688.60443	0.8
693.21716	7.4
694.22449	1.2
723.22906	35.1
724.23444	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	723.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48082	1.8
59.01382	1.9
60.99310	19.4
64.28442	1.7
71.26618	1.8
88.98817	100.0
97.63729	1.8
118.74937	2.2
122.02485	5.5
164.85355	2.2
313.71924	2.0
385.26764	1.9
454.20938	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	723.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36195	1.0
59.01383	13.2
66.50494	1.2
71.01392	16.4
72.42967	1.1
73.02946	5.8
81.03487	1.6
83.01403	1.3
85.02963	8.1
87.00890	3.5
89.02446	5.2
89.03966	2.1
95.01404	1.7
96.95993	1.2
99.00925	2.3
101.02459	6.9
108.02177	3.4
113.02451	9.3
117.03513	6.1
119.05041	7.8
123.04529	2.6
127.04047	1.2
131.03499	7.2
131.62202	1.2
132.02193	20.7
133.02971	11.1
134.03755	44.9
135.04564	2.6
147.04443	1.0
149.02423	1.2
149.06075	3.7
151.00375	1.3
152.01155	5.0
160.01668	72.9
161.02469	27.4
161.04536	2.8
163.04037	5.3
167.03494	14.0
173.02443	2.6
175.04019	100.0
176.04332	3.0
179.03473	3.0
187.11299	2.6
189.01973	2.1
193.05074	47.7
194.02156	2.3
209.04556	8.0
239.05617	2.2
267.06647	3.1
269.04276	1.7
269.06711	4.6
269.10034	2.0
279.06583	2.0
281.08170	4.3
291.06717	6.8
295.06177	2.4
305.08185	1.1
307.06104	2.7
319.06165	10.1
323.05634	2.3
337.07178	6.9
349.07101	3.3
352.08069	1.1
357.13425	2.7
367.08286	2.9
370.09341	5.1
379.07993	1.9
415.16074	2.4
439.10327	15.3
440.10349	1.4
453.12985	1.8
457.11539	2.8
538.60150	1.1
547.20502	6.1
559.14740	2.6
561.19751	2.9
577.15723	17.0
578.16119	2.5
723.25824	54.6
724.26611	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	723.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72226	5.8
59.01385	100.0
61.98828	8.6
75.32028	6.6
88.71814	6.8
89.46433	6.5
98.22706	12.9
119.05059	15.3
120.02619	6.2
121.03008	12.7
122.02460	31.9
135.04520	10.3
142.53297	6.9
145.02975	7.1
241.56386	7.7
249.10800	6.9
269.04517	14.9
269.12259	6.9
420.34711	6.7
430.08908	18.2
487.57813	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	723.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78231	1.2
57.03439	3.6
59.01385	30.8
61.50896	1.2
61.98817	2.4
62.17377	1.2
69.03443	2.2
71.01035	1.6
71.01393	15.9
71.05034	2.1
72.99325	1.9
73.02937	3.6
78.03874	1.1
80.02705	1.6
83.01389	1.7
85.02954	4.4
87.00896	4.0
88.13712	1.3
89.02456	14.4
93.03388	1.3
95.05042	1.7
96.96024	1.6
97.02946	4.2
97.06616	2.4
101.02453	11.2
107.05058	2.0
109.02942	1.3
109.06618	14.8
113.02440	7.1
115.00354	1.4
119.03516	4.1
119.05022	5.4
125.02434	3.2
133.02885	1.7
135.04532	3.9
143.03528	1.8
161.04591	2.5
167.03484	1.2
169.12358	4.1
179.05594	4.2
181.12326	3.9
193.12616	1.3
197.11836	25.4
197.13525	2.3
199.13417	2.0
211.13428	15.8
221.06493	1.4
235.08203	2.8
235.13513	6.1
253.09322	2.1
284.03308	1.3
285.03952	2.1
289.18127	3.5
307.19150	3.4
307.29694	1.4
325.20230	100.0
326.20505	5.3
397.13519	15.8
401.06018	1.8
415.14624	31.1
417.06067	1.7
444.65863	1.5
519.19025	2.5
723.35223	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	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23822	0.3
59.01384	5.6
61.98833	0.6
71.01392	3.8
73.02948	0.9
80.02682	1.2
81.03471	0.9
83.01395	0.7
83.05033	4.7
84.02194	0.6
85.02962	1.3
87.00893	1.0
89.02467	2.1
95.05022	0.6
97.06581	0.4
101.02459	3.6
111.00940	0.4
113.02476	1.9
119.03516	1.0
125.06112	0.5
133.05180	0.3
135.08180	0.5
136.49991	0.4
161.04587	1.8
163.11336	3.3
165.12857	1.8
179.05557	0.4
181.12299	0.4
183.13933	0.3
188.75545	0.3
191.10802	0.7
199.13435	0.7
209.11856	100.0
210.12225	3.9
211.13426	6.6
225.11259	0.4
227.12920	13.1
228.13283	0.5
235.08308	3.9
253.09320	11.4
275.20288	0.4
277.21759	85.5
278.22107	6.0
293.21216	4.3
325.18463	1.3
365.88104	0.3
389.53296	0.3
445.20825	0.6
463.21588	0.6
656.28442	0.4
696.79547	0.4
723.43304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69703	0.5
55.01878	0.5
59.01386	6.2
71.01385	4.2
71.09240	0.4
73.02936	1.0
80.02687	1.1
81.03472	0.9
83.00511	0.5
83.01380	0.6
83.05035	4.7
84.02161	0.8
85.02947	0.9
87.00855	0.6
89.02441	2.1
95.05052	0.7
95.93684	0.4
101.02441	3.2
113.02433	1.0
119.03527	0.6
135.08148	0.7
145.05003	0.7
152.99744	0.5
161.04494	1.3
163.11305	3.0
165.12823	1.9
166.85855	0.6
179.05574	0.6
181.12347	0.6
191.10748	0.7
197.21860	0.5
209.11847	100.0
210.12192	3.8
227.12906	10.9
228.13206	0.6
235.08214	5.4
253.09294	10.3
253.56879	0.5
277.21747	93.9
278.22128	5.1
279.23209	0.7
288.55179	0.5
445.20752	0.9
515.20294	0.6
599.66943	0.5
627.43036	0.5
718.09711	0.5
734.29993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99215	0.3
55.01876	0.4
57.03455	9.0
59.01390	2.5
63.10553	0.3
68.12969	0.3
70.02124	0.3
71.01385	3.5
73.02950	1.2
81.07100	0.6
82.60899	0.3
83.01376	0.5
85.02960	1.4
93.03446	0.3
95.05012	2.3
99.08170	42.1
100.08499	0.8
101.02434	1.7
105.03456	0.7
109.06608	1.3
113.02478	1.6
123.04539	84.1
124.04887	1.5
127.07668	54.7
129.05594	38.6
130.05951	0.5
135.04530	0.4
138.03250	1.2
153.05591	44.3
154.05934	0.9
159.02940	0.6
161.04565	4.3
171.06644	11.1
189.07716	3.0
197.83432	0.4
245.22885	0.4
274.28864	0.4
285.09833	17.8
286.09900	0.4
415.16354	0.3
439.15997	0.8
457.17203	100.0
458.17499	4.9
470.41898	0.3
569.41589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04380	0.9
55.01858	1.2
55.15591	1.2
59.01385	76.7
69.03054	9.1
71.01388	37.1
72.99323	1.7
73.02956	3.3
82.95430	1.5
83.01381	1.5
85.02953	8.1
86.29183	1.2
86.29813	1.1
87.00864	1.1
89.02456	38.3
91.05585	1.3
93.07126	1.5
95.01407	2.0
96.96024	12.2
99.04482	2.6
101.02450	20.7
107.05029	1.2
111.00925	1.1
113.02460	12.2
119.03513	13.5
120.05830	1.9
123.59571	1.1
125.02454	1.2
131.03529	1.3
133.05101	2.5
143.03496	2.3
149.04536	1.7
151.06145	18.1
161.04546	3.7
161.13406	11.2
165.39694	1.2
175.06215	1.4
179.05595	6.2
185.13405	1.4
187.11292	22.9
194.54663	1.1
205.12347	12.8
219.14099	1.4
229.12354	5.6
231.10225	1.8
247.13394	2.9
249.11336	6.6
276.87170	1.1
291.12234	1.5
295.10358	7.7
313.11420	28.5
313.14969	2.1
359.15060	2.3
362.02356	1.4
501.23694	3.9
545.22467	100.0
546.22839	9.8
725.28827	78.4
726.29065	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	725.377
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	55.6
66.00675	0.5
83.01398	0.9
83.56552	0.3
91.01894	0.4
93.03458	0.7
97.39400	0.3
98.21785	0.5
101.02478	0.3
108.99326	5.0
119.05044	2.7
121.02971	0.6
127.00449	0.4
135.00891	0.9
143.05051	5.2
145.02985	2.4
152.98315	2.8
156.05713	0.3
157.06595	0.8
159.04568	0.9
161.06096	4.1
185.06094	4.7
187.04053	3.0
201.05588	1.0
211.03972	0.4
229.05054	7.3
229.07153	0.6
255.03011	1.2
273.04059	100.0
274.04428	4.1
289.97198	0.4
329.14261	0.3
725.23199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.3
59.01372	13.1
61.24616	2.2
63.02319	2.3
71.01385	8.4
71.57699	2.0
89.02452	5.6
101.02435	6.9
113.02446	3.4
125.09730	4.7
139.11308	5.9
141.12898	2.2
142.16800	2.1
150.57344	2.1
157.12303	2.9
167.10735	5.4
185.11839	80.8
209.11842	45.9
227.13011	4.3
235.08185	4.2
253.09248	8.8
277.18723	5.1
277.21747	69.2
278.22171	4.8
279.23303	44.1
296.66458	2.5
343.84488	2.5
502.99442	2.5
725.41156	100.0
726.41516	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	726.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00548	2.3
65.00317	2.6
69.31783	7.0
69.32194	6.2
71.83653	2.2
72.73754	2.3
74.86457	2.3
82.42921	2.2
96.96021	3.0
97.02940	3.6
99.00882	5.9
107.03343	2.6
111.00927	6.5
119.08295	3.0
123.00887	2.5
124.98820	2.5
134.02484	2.8
135.03204	2.9
135.72803	2.4
136.00415	5.7
137.40761	2.2
139.00352	5.4
140.01151	10.5
141.01953	21.1
145.06465	2.4
151.02811	2.6
165.00650	5.8
169.06610	2.9
171.04500	5.7
183.04582	2.5
199.04123	3.3
211.07788	3.4
212.04762	2.8
216.03003	3.0
220.07909	3.3
224.06953	2.4
225.05548	19.0
226.06339	2.9
240.06700	4.9
242.08180	23.5
248.07156	3.3
252.04262	29.3
252.06619	5.6
252.19957	2.8
253.05011	17.7
254.05858	3.8
255.06609	3.8
257.08194	5.1
268.06110	6.3
269.07089	5.5
270.07745	58.0
281.07233	5.7
294.07733	3.4
301.07159	3.2
380.13025	15.6
382.10391	3.9
398.14011	5.3
402.28165	2.4
424.11865	4.2
450.13681	7.3
480.14459	6.1
522.11633	7.4
523.12769	43.2
524.13531	100.0
525.13837	3.0
726.19409	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	726.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79690	0.9
58.02981	16.2
59.01386	26.6
61.98828	3.6
63.10157	0.9
63.28178	1.0
66.03494	2.2
71.01371	1.4
72.00922	1.3
73.98322	1.6
74.02483	30.1
81.04574	2.3
82.02999	4.9
86.02477	10.1
86.06136	3.0
87.05649	6.5
88.04066	1.0
95.02473	1.5
96.04559	1.5
96.96020	3.0
97.04095	4.7
98.02512	1.2
98.22682	2.1
99.05046	1.5
99.05654	25.7
101.07207	5.7
102.05616	6.2
107.06157	2.8
109.04084	6.5
109.07708	1.9
110.02557	1.0
111.05652	2.6
112.04034	3.9
113.03591	1.5
115.02235	1.6
119.04997	2.2
123.05672	2.9
124.04047	2.7
125.03580	3.7
126.04367	2.1
127.05157	6.4
128.03555	74.6
135.04628	1.5
135.05638	9.8
137.07169	2.0
141.06700	3.9
143.04637	100.0
145.06206	5.3
146.04599	10.6
149.02449	2.8
149.07253	1.1
153.06728	5.9
155.08330	1.2
163.04115	1.1
164.04852	2.6
166.09874	5.1
167.04594	5.2
167.08321	6.8
170.03348	3.6
171.04099	3.4
171.94611	1.6
175.00346	4.1
179.04639	30.4
181.06210	2.5
184.10934	1.1
185.05692	2.4
190.02731	12.8
191.03445	2.8
192.07823	3.1
197.05736	5.6
205.05070	9.7
210.08839	26.1
223.06091	2.2
228.09933	2.2
228.82298	1.2
254.07831	58.3
255.08191	2.1
265.07178	1.4
268.97662	1.1
272.08896	86.5
273.09171	3.6
307.06085	2.0
337.10974	5.2
597.24902	6.4
686.98901	1.2
697.25317	7.7
708.28076	7.0
709.25244	4.4
726.29205	79.7
727.29230	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	727.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96598	1.9
59.01384	6.9
66.49032	1.9
66.75581	1.9
69.79408	4.6
73.02942	4.1
90.37641	1.9
96.96001	2.6
101.02422	2.3
113.02526	2.1
128.55084	2.0
134.93463	1.7
139.04077	2.2
145.03021	2.4
161.02376	2.8
163.04059	2.7
165.01909	5.2
173.02435	5.0
174.03215	2.7
185.02470	5.1
187.03934	1.9
189.01907	8.6
190.02724	32.0
191.03513	100.0
192.03792	3.6
199.04030	5.3
200.04755	5.3
203.03487	2.4
211.04016	13.9
213.01927	44.7
214.02689	27.9
215.03432	9.3
217.01411	10.6
227.03540	9.3
228.04340	6.7
229.05031	3.1
231.03069	5.6
239.03555	8.4
253.05112	2.8
255.02995	7.0
256.03802	29.0
257.04559	68.3
258.05060	5.1
273.04028	5.4
274.04834	8.3
275.05640	14.3
299.05557	7.1
387.09476	3.8
395.09845	50.9
419.09772	3.0
461.10901	83.3
462.11014	3.3
478.10495	2.6
479.05392	4.1
479.12003	69.1
480.12317	4.3
503.11887	5.5
547.20264	2.4
552.89368	1.9
683.18439	15.1
727.25092	2.3
758.14789	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	727.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30312	0.2
59.01379	2.5
63.02393	0.4
63.18446	0.3
65.00324	1.2
65.09866	0.2
66.12531	0.2
71.01385	1.7
89.02435	1.4
91.01897	5.7
92.02203	0.3
101.02441	0.3
101.03983	1.4
108.02171	3.6
111.00902	0.6
111.59170	0.2
113.02411	0.3
117.03497	0.5
119.05085	0.3
123.04536	11.3
124.01633	0.3
145.02983	2.4
152.01157	2.2
158.27559	0.3
161.02469	0.6
163.03989	0.6
167.03510	12.4
173.02449	11.0
174.02751	0.3
175.00478	0.3
179.08772	0.3
189.01941	14.2
199.00371	0.6
203.03503	0.4
207.08167	1.1
214.02603	0.3
217.01399	0.8
219.08102	0.6
235.07738	0.4
245.06100	1.1
246.06955	1.2
247.07672	6.5
263.07208	1.2
264.84854	0.3
277.05096	0.7
291.06653	21.2
292.07010	0.9
301.05054	5.9
301.08206	0.6
319.06131	41.8
320.06458	2.4
331.06119	0.4
349.07047	0.8
361.16489	1.0
439.10361	100.0
440.10666	5.8
523.21991	1.0
559.14789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02586	0.2
63.02404	0.3
65.00335	2.8
69.39014	0.9
71.01363	0.3
72.01795	0.2
81.55910	0.2
89.03983	0.2
91.01910	11.1
101.04015	0.2
107.76768	0.2
108.02185	8.5
109.02997	0.3
111.00905	1.0
117.03469	1.4
119.05033	0.6
121.02982	0.3
123.04541	22.8
124.01665	0.5
124.04860	0.4
135.58214	0.2
141.96591	0.2
142.46912	0.2
145.02972	3.7
152.01167	5.8
161.02440	1.0
163.04025	1.6
167.03513	43.3
168.03847	0.9
170.03807	0.2
173.02454	9.0
176.01131	0.2
188.01158	0.3
189.01958	5.1
191.08783	0.3
191.65578	0.2
214.02858	0.2
215.03487	0.2
217.01474	2.1
217.06586	0.3
219.08084	0.5
219.21600	0.2
235.07620	0.5
245.06123	0.3
247.07593	0.7
261.05609	0.2
263.07251	1.2
277.05124	0.2
281.08298	0.3
289.05157	0.4
290.05896	1.3
291.06641	6.6
292.06973	0.3
301.05020	0.4
319.06131	100.0
320.06497	5.9
322.04803	0.4
337.07144	0.3
349.07352	0.4
375.25467	0.2
439.10373	44.1
440.10739	3.7
559.14575	1.6
577.15747	0.5
727.18994	1.4
728.18799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80094	1.2
59.01393	6.0
59.11623	1.1
65.00338	1.6
65.99849	3.8
69.59367	5.4
70.40898	1.1
71.01393	5.7
77.49592	1.3
83.01403	1.2
85.02954	5.4
89.02431	1.5
93.03471	1.5
95.01390	2.7
96.96001	1.7
101.02444	1.4
105.03483	1.8
109.03045	1.2
113.02485	6.6
117.03478	1.5
119.05054	6.6
121.02963	3.4
123.04539	3.1
125.02452	1.7
131.05077	2.3
135.04568	3.0
136.00365	1.3
145.02954	2.8
145.06740	1.5
147.04512	2.3
148.01653	1.7
149.02446	12.2
149.06099	1.4
160.04120	2.3
161.02460	5.1
162.03279	3.2
163.04022	12.3
165.05482	1.2
167.03458	3.3
171.04474	2.2
173.06033	9.0
175.00356	1.9
175.03976	1.9
176.01237	2.0
177.01942	1.5
177.05630	2.0
179.05437	1.3
189.01956	5.6
189.05382	1.9
190.02684	5.9
191.03481	20.5
202.05054	2.5
203.03534	3.3
204.04272	3.4
205.05014	2.1
209.04588	2.1
214.02795	6.5
221.04575	3.3
230.04472	1.4
233.04651	2.0
239.05606	2.1
240.06496	1.4
255.06526	1.3
257.08188	1.3
263.07236	2.9
268.06100	8.9
277.08749	4.7
280.06052	2.2
281.08212	16.3
293.08286	9.0
295.09671	5.4
299.09338	3.0
305.08383	2.1
307.09692	2.9
311.09119	1.4
323.09265	100.0
324.09564	6.1
335.09213	4.3
337.10815	5.0
341.10410	11.3
353.10309	48.9
354.10532	4.0
365.10306	36.4
365.14932	1.6
371.11374	9.6
383.11456	2.6
384.08698	1.5
395.11469	14.8
401.12323	4.0
402.09857	21.3
407.11160	1.8
425.12320	8.5
443.13562	50.5
444.13834	3.3
455.13525	1.8
461.14331	9.5
467.13678	1.6
473.14624	19.3
485.14749	1.9
491.15524	3.2
497.63834	1.8
499.14279	1.4
545.17535	2.5
552.09534	1.7
563.18353	7.4
581.18433	2.3
589.17621	1.7
593.20581	1.7
607.18024	2.7
727.22620	2.7
728.21960	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	727.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73611	1.9
59.01371	4.5
62.81322	1.8
71.41415	1.9
85.02950	3.8
91.01943	2.3
93.03490	2.9
95.80267	1.9
96.96014	2.3
105.18777	2.7
113.02435	2.5
119.01398	8.2
119.05009	3.4
121.02994	7.2
121.46078	2.0
122.03768	3.5
133.03049	2.3
135.04579	3.9
137.02464	2.2
147.00874	5.1
147.04539	3.4
149.02470	20.8
150.03235	3.8
158.03772	1.9
159.04526	8.9
160.05321	25.7
161.06108	7.4
163.04033	4.6
164.04793	22.8
165.01912	3.5
165.05388	2.2
173.06042	3.4
175.00357	32.8
175.03987	4.2
175.07625	21.0
177.05537	6.3
178.06372	11.1
179.07074	4.3
190.02737	90.2
191.03400	6.5
192.07909	4.5
193.05013	3.7
193.08723	4.0
205.05060	85.3
206.05400	5.1
223.06084	23.6
247.06158	4.1
267.21802	2.1
285.04037	16.6
299.09238	2.1
314.11371	2.3
315.12192	2.6
329.13968	36.6
330.14139	2.8
341.14212	2.8
367.10339	100.0
368.10571	6.9
513.21057	2.0
727.26282	47.4
727.38763	4.0
728.26416	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	727.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.67555	0.7
69.80142	2.4
69.80474	0.8
71.01392	2.3
71.71722	0.7
73.05043	0.7
83.01375	0.9
85.02962	1.3
91.01895	2.5
93.03455	1.4
96.73704	0.8
98.22547	1.4
113.02448	0.9
119.01402	6.6
121.02962	6.7
133.02908	1.1
134.03738	1.9
135.04550	2.6
145.02885	1.3
147.00896	6.7
147.04645	1.8
149.02446	18.1
150.03226	1.4
160.01735	1.8
163.04010	2.8
164.03464	1.4
164.04793	17.3
165.01941	2.5
165.05298	1.0
175.00378	41.9
175.03911	1.2
176.00891	2.7
179.07115	3.4
189.01859	1.1
190.02733	92.6
191.03142	5.8
193.01431	1.1
203.25674	0.7
205.05074	93.9
206.05434	4.9
207.03046	1.2
208.03812	1.6
209.04459	1.8
221.08098	1.1
223.06145	17.4
240.04253	1.7
247.06110	0.8
255.10257	1.9
269.08218	15.8
270.08594	1.5
271.09766	2.1
279.05090	0.9
281.08188	2.5
283.09799	6.8
284.10211	0.8
295.09625	1.4
299.09280	11.6
300.09634	1.0
311.09262	16.8
312.09677	1.5
314.11646	21.9
315.12173	1.9
326.11618	15.7
327.12186	1.5
329.13983	25.4
329.17908	1.6
330.14182	2.1
337.05508	1.3
341.13931	10.4
342.14139	0.9
352.08035	2.4
367.10342	100.0
368.10709	6.2
417.39294	0.9
433.69208	0.8
507.61353	0.8
727.26141	67.2
728.26678	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	727.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
61.98818	1.2
71.01380	1.8
73.02966	1.4
78.91888	2.2
83.01421	1.0
85.02956	1.3
87.00850	1.0
91.01882	2.2
91.68531	0.7
93.03463	1.5
96.96064	0.8
101.02446	1.3
103.22164	0.8
113.02460	2.1
119.01362	4.4
119.05032	1.0
121.02979	6.2
122.03745	1.7
123.04536	1.0
132.02171	1.7
133.02971	1.9
134.03769	4.2
135.04544	3.6
140.12303	0.8
147.00893	3.3
147.04536	2.3
149.02452	16.6
150.03212	3.0
151.04033	1.6
152.01167	0.8
158.03728	1.7
159.04524	6.1
160.01680	7.8
160.05313	20.3
161.02400	1.7
161.06105	6.7
163.04001	3.8
164.04828	20.8
165.01952	1.0
165.05476	1.5
173.06084	2.8
174.06850	1.2
175.00371	28.0
175.04001	7.9
175.07654	17.6
175.56004	0.9
176.00871	1.8
176.04694	1.0
176.08026	0.9
177.05591	3.3
178.06349	9.2
179.07101	3.8
190.02728	74.4
191.03302	3.8
192.04222	0.9
192.07890	4.3
193.05124	4.6
193.08679	2.8
195.06819	1.0
205.05064	83.2
206.05478	2.8
207.02950	1.1
208.03766	2.0
209.04601	1.5
221.08084	1.0
223.06128	23.7
224.06403	1.4
233.40750	0.9
247.06032	1.6
285.04123	2.9
286.04449	1.0
314.11633	1.1
315.12451	1.8
329.13959	33.6
329.23157	1.3
330.14392	2.1
337.05573	0.9
337.09335	1.8
352.07935	2.1
359.14975	1.1
367.10345	100.0
368.10715	5.1
519.15021	1.5
531.14685	1.5
697.25024	17.1
698.25549	2.3
727.26208	30.9
728.26794	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	727.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75819	2.1
59.01085	2.8
59.01384	47.8
59.20072	2.1
61.98837	3.5
68.26436	2.0
80.05070	6.6
84.53748	2.0
98.22645	5.1
106.06647	11.3
119.05006	3.6
120.08213	2.5
121.05341	4.4
122.06115	25.0
134.06126	39.8
160.04066	3.6
160.06471	10.5
174.05574	4.0
184.65280	2.3
200.07088	2.7
213.10349	46.3
219.56848	2.2
225.10368	4.1
226.11024	4.7
227.11887	7.1
239.11935	26.9
241.13423	22.3
251.11908	5.1
277.09900	14.1
285.12469	99.4
286.12665	6.4
293.12979	15.3
295.10837	7.0
305.09412	6.7
307.10818	7.8
316.14917	3.9
328.10782	3.6
337.12094	6.0
342.12604	4.4
343.13290	4.7
355.13092	7.3
357.14728	5.5
358.15677	23.0
365.11508	11.9
367.13217	2.8
384.13507	5.2
397.14001	11.5
399.16202	2.9
400.16608	17.7
412.16693	8.3
476.18192	2.5
505.22626	5.7
547.23431	28.5
565.24670	18.7
566.25714	3.0
591.22162	16.7
592.21588	2.9
607.25684	97.0
608.26013	18.1
609.23499	3.6
610.24646	3.3
646.58020	2.7
651.24615	100.0
652.25134	15.7
683.27185	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	727.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67277	1.3
59.01378	4.5
61.59076	1.3
61.98856	2.1
69.34554	2.7
69.34943	4.6
71.01419	1.7
93.03501	1.7
96.96027	2.7
111.04522	1.9
117.03488	1.7
118.99277	1.8
119.05021	5.3
121.06609	5.6
135.04536	4.1
136.05318	58.7
138.78471	1.5
147.08205	2.0
148.05344	1.9
149.06076	7.6
150.06905	7.5
163.07687	2.8
164.08485	3.7
165.09229	65.4
166.09579	2.5
185.13647	1.5
201.09082	1.6
214.55475	1.6
232.24150	1.7
233.16438	1.6
264.33182	2.0
285.12427	2.0
313.23898	27.9
445.15344	2.0
461.32782	10.9
478.33557	3.5
479.33804	41.8
480.34232	4.4
683.40143	100.0
684.40619	14.9
685.78717	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	727.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91396	0.9
59.01385	34.6
60.04992	0.8
60.11878	0.9
61.98838	3.9
66.18690	0.9
69.11792	2.6
69.12199	4.3
71.01383	3.2
71.10344	1.0
78.52413	0.9
89.02464	2.5
97.06599	0.9
101.02441	2.7
113.02445	2.1
116.14404	0.9
121.75460	1.0
127.11260	1.3
137.41064	1.0
149.08481	1.0
151.11296	4.4
161.04584	1.8
169.12344	31.9
171.10291	76.7
187.13338	1.4
213.11354	3.2
231.12399	3.6
253.09213	3.4
277.21762	26.4
278.22183	1.5
291.02100	1.5
325.18457	2.3
344.64993	1.0
351.59232	1.0
427.65402	1.2
467.21576	1.6
709.42004	3.9
727.42816	100.0
728.43134	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	728.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07256	0.2
58.57545	0.2
59.01370	0.2
61.98835	100.0
67.21140	0.2
70.30891	0.2
83.17947	0.2
83.40888	0.2
124.48266	0.2
164.00238	0.2
179.05667	0.2
315.30951	0.3
665.21637	0.5
728.20966	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	728.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
63.51307	0.2
71.39889	0.2
90.27204	0.2
109.12030	0.2
157.93085	0.2
191.97662	0.2
302.47635	0.2
310.24863	0.2
312.98257	0.2
439.79138	0.2
525.93762	0.2
566.15118	0.2
583.26752	0.2
665.21747	0.5
728.21375	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	728.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69607	2.7
60.62758	2.6
61.98838	4.7
65.00326	13.5
69.47459	2.4
71.41425	2.6
72.51692	2.1
83.01369	2.7
96.99326	3.1
100.09883	2.5
104.38599	2.4
108.56783	2.4
109.02969	2.4
110.00114	3.1
136.98820	18.4
139.96271	2.4
164.98335	15.3
168.27916	2.8
169.06641	4.9
171.04491	11.1
191.37752	2.6
224.07176	3.0
225.05505	4.0
241.05101	40.7
242.08165	11.7
243.06779	2.7
268.06058	6.9
269.04559	100.0
270.04993	5.5
270.07727	20.0
292.09848	4.1
293.08301	3.0
294.07654	4.2
296.05533	5.2
310.10922	21.4
333.07635	10.8
335.09174	9.0
348.08603	3.9
390.09775	3.1
439.12085	3.2
441.13211	5.9
458.16208	10.0
484.14255	4.9
544.13928	3.7
558.15515	4.1
560.17230	6.4
586.14771	3.8
604.16449	21.2
666.21429	6.7
692.19586	16.4
710.20563	21.0
711.19958	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	728.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.4
57.03447	4.2
59.01387	9.2
64.01920	2.8
65.00326	1.6
65.99857	19.9
68.99830	2.6
71.01383	15.1
73.24625	1.0
83.01389	1.6
85.02957	22.2
88.01936	1.5
89.02441	2.2
93.03481	2.0
95.01397	9.7
98.22654	2.4
101.02446	1.4
108.00936	1.6
109.02975	1.4
113.02458	31.0
117.03465	1.6
117.40638	1.1
121.02971	4.3
123.00864	1.3
123.04527	2.4
132.00963	1.5
132.04460	1.3
133.01772	1.3
133.02962	1.4
135.04543	1.5
136.00417	6.2
145.02942	1.3
146.02548	2.3
147.03268	2.6
148.04034	2.2
149.02452	2.3
150.03098	2.2
151.00322	2.4
151.04016	3.2
159.03217	2.0
160.04054	12.9
161.04517	3.4
162.05603	3.0
163.03999	1.9
163.99898	3.9
167.03468	1.9
169.06560	1.4
170.06067	1.3
170.81842	1.2
171.04494	7.3
173.06059	1.5
175.99928	8.8
180.08159	1.3
184.04111	3.7
186.01932	1.4
186.05612	5.0
188.03571	6.0
191.03426	3.5
202.05138	7.9
210.05521	1.5
211.08075	1.3
212.03491	3.4
214.01436	2.6
217.01366	1.5
226.05046	3.7
228.03090	2.4
230.04610	10.6
231.16103	1.3
238.05157	1.9
240.06694	6.3
242.04617	1.2
245.00813	6.2
252.06624	1.4
254.04555	2.5
255.06631	4.9
268.06152	49.9
269.06671	2.3
270.03989	1.5
270.07623	1.7
277.08786	1.6
280.06116	13.3
281.08319	2.0
282.08435	2.4
288.10208	1.4
298.03491	4.2
312.10266	2.1
316.09851	3.4
323.09238	9.7
324.09625	12.8
325.09650	1.7
340.09717	1.8
342.11084	1.6
353.10315	3.8
354.10825	7.5
356.09140	3.8
358.10861	3.0
365.10263	4.6
366.10776	2.6
374.10669	1.4
384.08817	7.2
396.11597	1.6
402.09827	100.0
403.10330	6.9
443.13431	4.6
444.13931	7.7
484.70956	1.5
553.07776	10.6
714.48541	1.3
728.22015	84.3
729.22498	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	728.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08697	0.7
57.38626	0.8
59.01392	13.9
59.57525	0.8
61.98829	2.2
65.70135	0.7
71.01375	1.0
71.39964	1.0
74.99086	1.9
78.03477	1.4
80.05063	3.7
84.04558	1.0
86.02502	3.6
87.43642	0.8
88.51585	0.7
91.29216	0.7
93.03483	1.0
96.96097	0.7
108.04533	1.1
109.02947	0.9
110.00149	1.0
117.03496	2.0
119.05058	1.9
122.02503	100.0
123.02836	2.2
133.02969	1.3
135.04549	4.5
136.04965	1.0
161.02390	2.1
168.01239	2.8
213.10274	0.9
236.18384	0.8
255.02939	1.0
283.02377	1.2
285.12619	0.9
286.04477	0.8
437.04254	2.2
517.27905	1.1
543.25354	1.2
606.26318	4.7
608.25763	1.7
641.25092	1.8
652.24554	1.6
666.29272	1.3
684.29669	40.9
685.30066	5.3
693.61578	0.8
728.28662	18.6
729.28699	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.2
65.00339	0.9
71.01382	1.8
73.02951	1.1
83.84049	0.6
85.02953	1.5
89.02435	0.8
90.12043	0.6
95.01352	0.7
96.96018	2.6
99.00928	0.6
101.02428	1.0
101.21381	0.6
103.44684	0.6
110.00141	0.5
113.02467	1.5
117.03471	2.5
133.02939	1.0
135.01770	0.6
145.02963	4.5
147.08192	0.6
151.35803	0.5
161.02451	3.1
163.04047	2.0
164.98259	0.9
171.04541	1.0
173.02411	1.4
187.00369	0.7
187.10411	0.6
189.01962	4.6
195.89653	0.6
201.01945	1.2
214.99861	2.0
216.00641	1.5
216.27956	0.6
217.01413	8.6
231.03085	0.8
242.99310	2.2
244.00146	1.9
245.00929	62.4
246.01259	1.8
259.02460	0.7
267.02942	1.4
268.06308	1.1
269.01147	0.7
269.04510	1.4
270.98904	3.6
285.00162	0.7
287.01974	4.5
288.99930	1.0
305.04846	0.8
312.99939	2.0
335.05627	1.6
345.04190	0.7
347.05600	0.8
351.04926	0.7
361.03534	0.9
363.05142	1.1
373.03671	2.3
389.03006	2.1
390.99774	0.9
391.04645	12.3
402.09921	0.6
403.10428	0.7
407.04135	9.3
480.25684	0.7
522.27765	1.8
535.06818	1.0
553.07813	100.0
554.08209	6.3
663.73566	0.7
684.33441	1.7
685.33588	1.4
729.10687	0.8
739.78699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.01381	17.2
61.40677	1.3
65.00324	2.1
67.01900	3.1
71.01395	11.6
71.40377	1.6
72.99323	2.9
73.02962	3.1
75.00866	3.8
85.02960	23.2
87.00883	2.3
89.02457	3.2
95.01399	10.1
99.00851	6.7
101.02431	2.8
103.00378	4.3
110.00123	1.6
113.02462	44.9
115.00421	1.8
117.01929	2.1
119.03536	1.4
129.01941	1.7
163.00381	9.9
165.99101	2.2
167.91750	1.2
169.06619	2.5
171.04524	5.7
175.02473	18.9
181.00536	1.4
184.05266	2.5
196.05328	3.1
197.06061	8.4
198.03152	1.9
199.03918	1.6
211.04037	1.4
213.05629	2.8
224.04774	1.9
225.05556	3.2
239.03467	3.5
240.04216	2.2
241.05084	2.8
262.08783	1.5
267.02985	1.5
268.03790	100.0
269.04547	84.5
269.07520	3.0
270.04999	6.1
270.07452	1.9
283.02954	2.8
283.06122	81.9
284.06458	4.2
301.14511	4.2
327.15982	2.3
329.13910	1.7
345.17111	25.9
404.18347	2.4
405.19223	52.3
438.20496	1.3
459.09479	8.5
549.23407	2.0
553.07794	4.4
729.30280	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	729.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43125	1.4
59.01373	5.7
60.50832	1.8
61.53656	1.6
63.17215	1.4
65.00327	3.3
71.01389	5.0
71.40953	1.7
72.99307	2.4
79.01895	2.2
85.02966	3.6
89.02473	1.7
95.01392	3.1
96.96002	3.4
99.00893	2.6
109.03046	1.7
111.00895	4.0
113.02454	5.2
123.00899	2.5
124.01662	4.2
134.30534	1.6
135.00830	2.2
136.01665	3.9
136.98772	4.8
139.00354	4.5
139.52345	1.7
140.01157	1.8
151.00375	4.8
152.01151	6.7
155.03448	1.4
163.00294	2.0
169.06674	2.4
171.04549	6.1
171.08327	1.9
173.06064	2.2
177.01917	2.1
181.06511	2.3
185.06042	1.7
185.96860	1.5
193.03577	2.9
196.13680	1.5
197.06104	7.2
209.06107	2.1
213.05565	2.4
215.48569	1.6
225.05539	6.4
241.05092	3.3
242.08360	2.2
243.06601	26.4
243.08836	3.0
253.05074	20.6
255.06522	1.9
268.03769	2.4
268.06290	2.2
269.04550	100.0
270.04895	3.5
270.07736	4.2
271.06125	53.1
272.06442	2.2
281.04565	21.9
283.06100	4.5
296.06308	1.7
324.88885	1.7
359.07098	1.9
445.07797	23.4
457.07828	22.0
553.11566	30.4
554.14972	7.3
697.15985	4.2
729.14844	20.6
730.16364	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	729.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.7
59.01386	4.5
68.56429	0.5
71.01386	8.0
73.02969	1.2
85.02956	13.8
88.98819	0.9
89.02464	1.1
95.01398	4.1
97.29742	0.6
101.02452	0.9
109.03012	0.8
109.99249	0.6
113.02463	12.7
129.16800	0.6
157.06580	1.0
159.04504	0.9
167.03511	0.7
173.06142	3.9
182.62109	0.5
183.04552	1.4
185.06102	4.4
186.03279	2.1
198.03271	1.8
199.04076	0.6
200.04851	0.7
201.05559	4.8
211.04001	6.3
211.07582	0.8
212.04811	1.7
213.05544	5.0
214.02699	4.0
217.76503	0.6
227.03520	0.8
228.04330	2.3
229.05077	6.5
239.03525	4.6
240.04250	1.7
242.02223	15.0
256.03796	3.4
257.04572	100.0
258.04880	3.9
267.03040	0.7
269.04782	0.7
281.04663	0.9
303.10168	0.8
331.15433	0.9
345.17093	1.1
363.18317	3.2
375.08542	1.0
385.07135	1.2
403.08240	30.8
404.08588	2.3
421.08719	0.8
525.23291	1.5
567.24139	3.3
729.20160	75.2
729.29919	4.4
730.20831	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	729.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00330	0.8
57.65831	0.8
61.98833	1.5
65.00325	1.8
71.01421	0.7
92.05096	1.5
96.96039	1.2
110.00069	1.0
110.02459	1.2
112.70100	0.8
112.98812	1.1
116.34352	0.8
122.02433	1.0
123.03264	1.8
129.47160	0.7
134.02510	3.4
135.03294	4.0
138.01988	1.4
138.05618	5.2
148.04068	1.1
151.02785	3.2
165.00682	0.9
166.01498	1.7
166.05136	1.6
174.28365	0.8
178.05092	2.2
192.03064	2.3
222.04050	2.0
226.08665	2.5
228.06686	1.1
236.05681	1.2
242.08246	27.7
252.06778	1.1
254.06709	21.2
255.06868	1.6
269.04391	1.9
270.07733	100.0
271.08194	4.7
280.06094	1.5
295.07941	1.3
296.06021	0.7
296.08911	15.8
311.25323	0.9
322.10797	1.2
336.08856	1.0
339.13513	1.9
364.08020	1.8
381.15744	10.2
403.13123	1.2
435.13135	1.0
540.26056	1.0
549.16473	3.7
553.10425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67279	0.8
52.82208	0.8
59.01393	5.7
65.00309	1.3
69.91923	0.9
71.01382	3.8
71.76733	0.9
83.01379	1.4
85.02956	2.2
91.01914	1.5
93.03474	2.4
96.96026	1.1
98.22691	2.3
101.02461	1.6
102.45297	1.0
109.02970	5.4
113.02488	1.7
116.23028	1.0
116.43285	0.9
119.01394	3.7
119.05058	1.1
121.02974	17.4
122.03767	15.9
123.04510	3.1
131.03473	1.0
134.03740	2.0
135.04510	3.5
137.02437	1.5
147.00885	3.2
147.04520	8.8
149.02454	15.4
149.06094	1.7
150.03256	1.1
153.11577	1.0
154.02664	1.3
161.06052	2.1
162.03236	1.2
163.03992	2.2
164.04826	15.9
165.01851	1.5
165.05582	26.6
175.00369	24.5
175.01772	1.8
176.01079	1.4
178.06244	1.3
179.07152	12.5
190.02734	61.2
191.03363	3.3
193.44339	1.0
205.05074	65.1
206.05397	2.1
208.03781	2.3
209.04646	1.4
223.06110	15.2
223.09612	1.0
243.06302	1.0
247.06165	1.0
269.04694	1.3
285.04169	1.2
315.12332	2.3
346.14124	8.2
347.14978	4.2
361.16589	57.2
362.16904	2.4
367.10355	100.0
368.10712	4.6
382.81885	1.0
729.14337	1.9
729.27759	34.2
730.28137	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	729.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	37.3
66.36462	1.5
70.06905	3.8
80.67922	1.4
89.36846	1.4
92.83839	1.5
94.06612	1.6
101.93667	1.6
106.06626	5.1
107.03792	2.4
120.08198	22.8
122.06135	38.7
134.06143	38.9
137.12921	1.8
152.07191	2.8
164.07173	1.6
190.05061	2.7
194.08205	1.6
221.10863	1.6
223.08781	4.1
224.09526	2.3
227.11969	1.5
230.22098	1.4
235.08829	1.9
236.09546	3.8
237.10281	5.8
238.11166	1.8
239.11908	5.1
249.10327	5.1
251.08087	2.3
251.11852	10.1
261.10294	2.2
263.08264	4.2
264.09094	7.6
265.09705	4.9
267.11417	1.6
277.09818	8.9
278.10544	4.8
279.11411	23.6
280.12051	3.9
287.13947	3.2
291.11453	10.1
292.12036	3.0
295.10938	2.6
305.09308	6.4
305.12726	3.0
323.10513	3.8
324.11163	2.2
337.11926	3.3
342.16226	2.2
358.19290	1.9
370.15585	6.4
383.16098	1.7
384.17078	10.6
385.17807	3.7
386.18811	4.6
396.13803	2.0
397.13928	2.4
398.19156	1.9
399.19604	2.9
402.18243	1.9
412.16910	2.2
426.18170	9.9
430.17715	4.0
444.19266	4.9
470.16718	2.0
471.18277	3.5
486.20364	10.2
487.21127	1.6
502.20001	4.2
530.19427	20.1
531.20074	16.8
549.24860	5.3
562.22058	20.1
563.22327	4.1
567.26184	3.8
593.24292	10.0
609.27417	21.2
610.27710	5.3
653.26227	100.0
654.26453	13.0
685.28687	21.2
686.29254	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	730.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72960	1.5
57.00238	1.5
59.01392	4.2
65.00320	2.9
65.28389	1.5
65.99870	2.1
66.46311	1.4
67.01911	1.9
68.99811	2.6
70.35689	1.7
71.01392	7.3
71.41184	2.0
72.22892	1.7
72.99313	5.0
83.01421	2.7
85.02971	6.2
89.02492	1.5
92.45007	1.5
95.01417	1.7
99.00897	2.3
111.00898	17.7
113.02464	7.0
125.34192	1.6
136.00433	4.7
139.00398	30.4
141.01942	2.4
147.76830	1.6
153.01910	2.3
163.99956	2.6
171.04524	2.9
175.02504	2.0
187.02814	1.8
216.19557	1.7
225.05527	3.9
240.06677	1.7
242.08229	4.5
252.06555	9.5
253.05225	7.6
260.07108	1.6
264.06528	3.4
268.06189	5.9
269.04541	2.2
270.07663	5.6
276.06726	2.7
278.08182	2.9
280.06195	13.2
281.06802	5.0
282.07626	4.6
296.09247	1.6
302.08026	2.2
304.06110	2.1
305.07074	1.7
306.07736	3.1
315.03595	2.7
382.14523	6.8
432.07169	2.0
436.12201	2.2
450.13385	18.0
451.14035	1.8
454.12979	1.9
456.09125	2.6
520.10065	7.6
521.10748	2.2
522.12030	15.8
654.17102	1.8
698.15198	100.0
699.15387	16.2
701.81403	2.0
730.18311	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	730.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	2.1
58.93555	1.2
59.01369	2.5
61.98825	1.5
65.00323	2.7
71.01376	9.2
72.99320	6.4
79.47449	1.4
83.01411	1.6
85.02953	7.9
95.01377	2.1
96.96104	1.5
111.00894	19.4
113.02470	7.4
116.40642	1.7
118.21034	1.4
123.00864	1.8
136.00409	3.2
139.00391	25.3
147.17548	1.3
153.02008	2.0
157.01505	1.8
163.99892	3.3
171.04503	3.5
175.02509	1.6
179.03564	1.4
181.01601	1.6
182.06190	2.1
209.08267	1.6
225.05605	4.9
226.05559	1.4
226.08684	1.6
236.07278	1.7
238.05444	1.4
240.06544	1.9
241.05028	2.4
242.08327	5.0
250.08817	1.7
252.06694	13.3
253.05095	3.8
264.06647	2.5
268.06073	6.8
270.07803	9.3
276.06686	3.1
278.08325	2.3
280.06168	16.4
281.06891	3.8
282.07703	4.2
288.06445	1.7
294.07843	1.8
304.06116	2.0
305.06873	2.4
306.07663	4.0
314.61700	1.4
315.03665	5.2
316.60544	1.4
329.06738	1.6
331.52756	1.4
380.12830	1.5
382.14502	6.0
390.06015	2.7
418.05701	2.8
432.11826	1.8
436.12076	1.9
450.13519	11.6
454.13190	2.4
456.09253	4.6
460.13690	4.3
478.12811	5.4
520.10419	8.2
521.10950	4.4
522.11877	13.6
523.12445	1.8
528.04712	1.5
546.11218	1.6
558.11499	2.2
654.16345	2.6
670.23260	4.0
680.14386	2.1
698.15173	100.0
699.15814	13.4
730.18152	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	730.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31091	1.9
59.01374	4.6
61.98829	1.8
64.01894	2.3
65.00347	3.0
69.59550	7.7
99.83891	1.9
110.02497	5.0
120.00909	3.6
120.81197	1.8
123.03276	4.3
134.02496	4.7
135.00931	2.7
135.03253	7.0
136.00415	15.5
138.01987	3.1
144.60870	1.7
151.02762	6.6
163.00371	3.4
163.99873	11.4
165.05576	4.5
166.01393	2.5
169.06630	3.0
171.04504	4.0
173.05898	1.9
174.01875	1.7
176.01184	5.6
181.06609	1.9
191.99509	2.7
193.06590	5.9
197.06123	4.2
203.33871	1.7
203.86406	1.9
223.07664	3.0
224.07051	2.1
225.05594	5.7
226.05135	3.0
226.08643	2.9
227.07158	2.7
237.05620	3.9
239.07051	10.6
240.06668	4.0
242.08249	50.6
253.05093	4.9
265.05060	32.0
267.06680	16.6
268.06143	31.7
270.07727	100.0
271.07919	5.5
280.06113	3.8
293.04587	39.7
294.04971	3.0
294.07797	7.2
295.06146	28.6
296.05688	45.3
297.06006	2.9
302.08221	5.4
306.07733	2.8
346.07245	2.5
398.06689	6.4
416.07932	2.7
478.12494	2.8
494.12540	3.1
502.12997	12.8
518.12103	5.1
520.14050	13.6
522.11743	5.2
536.13483	41.0
537.13770	3.4
546.11993	16.2
564.13019	95.9
565.13446	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	730.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33484	0.5
59.01381	2.9
65.00328	1.2
65.99857	1.1
68.99818	0.9
69.12518	3.5
70.82764	0.6
72.71938	0.5
92.99806	0.6
95.01330	0.6
96.00926	0.7
98.22614	1.3
100.82878	0.6
109.86830	0.6
110.02476	1.2
119.01363	1.2
120.00889	0.8
120.99331	1.1
121.02949	0.6
122.02499	0.6
123.03274	1.8
129.08597	0.6
130.03032	1.2
134.02463	2.1
134.52104	0.6
135.03258	3.2
135.98978	0.6
136.00423	4.0
136.48187	0.5
138.01924	0.6
145.06558	0.8
146.02400	0.6
151.02754	2.3
152.11981	0.7
154.02974	2.4
155.02271	0.7
160.98872	0.6
163.00381	1.7
163.99904	2.4
165.00659	0.9
165.05588	2.5
166.01529	0.7
170.02495	0.8
171.04507	3.8
172.04060	0.9
174.01965	3.5
175.99901	1.3
176.03554	1.1
177.13786	0.6
182.02448	0.6
187.99881	2.0
188.98286	1.1
189.99098	1.7
190.01451	0.9
192.03030	1.8
196.03906	0.7
198.01976	7.8
200.03496	1.2
202.01491	0.9
210.02039	2.1
211.07611	0.8
216.03008	0.8
218.00963	1.2
222.01872	1.6
223.07779	0.6
225.05569	1.3
226.01526	2.6
226.08768	1.0
238.01433	2.6
240.02924	1.3
242.01016	3.6
242.08235	19.9
243.08655	1.0
249.05573	0.8
250.01537	1.5
252.06726	1.6
254.05576	0.6
255.06635	1.5
266.00995	4.9
267.06754	3.5
268.03104	0.7
268.06131	5.7
270.07727	41.5
271.08151	2.2
274.08789	0.6
278.08154	1.4
279.01685	0.7
280.06125	2.6
293.04608	4.3
294.00522	5.2
294.07724	1.8
295.06085	0.9
296.05661	5.1
298.08957	1.0
302.08228	2.1
309.99945	1.0
318.07678	0.7
322.07211	4.7
326.08057	1.0
330.07608	1.1
337.99448	1.0
342.07547	1.2
344.09235	1.7
346.07199	1.9
370.07129	2.2
372.08810	1.0
374.06842	1.0
390.06216	0.9
398.06772	6.4
399.07028	0.8
400.04868	0.9
414.06219	3.2
416.07886	2.6
442.05701	44.8
443.06104	4.2
458.08521	0.8
460.06787	5.0
502.13159	3.9
520.14050	3.5
522.11871	4.9
528.10699	1.0
546.12012	33.3
547.12457	3.1
564.13025	100.0
565.13354	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	730.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.0
64.41430	1.0
65.00317	2.1
69.23093	2.0
69.23516	4.6
69.74503	1.1
76.04836	1.0
122.00945	1.2
123.03252	1.5
130.02966	1.2
134.02486	1.3
135.03242	1.6
136.00395	3.2
136.71353	0.9
151.02596	1.2
153.80708	1.1
154.02896	1.9
163.00478	1.5
163.99890	3.5
165.05515	1.3
171.04527	3.9
172.04056	1.5
173.27945	1.2
174.01952	3.8
180.17528	1.1
182.02469	1.4
187.99986	1.4
189.99109	1.4
190.01530	1.6
198.01932	7.5
222.02029	1.6
224.07167	1.4
226.01421	2.7
238.01511	1.7
242.00992	4.0
242.08250	19.7
243.08562	2.0
244.02507	1.9
250.01517	1.3
252.06720	1.7
266.00946	2.9
267.06607	3.2
268.03223	1.2
268.06189	6.3
270.00732	1.6
270.07724	36.8
271.08112	2.6
278.08282	2.3
280.06168	3.1
293.04562	4.8
294.00482	4.9
294.07904	1.6
296.05640	5.2
302.07999	1.8
322.07196	5.0
346.07175	1.8
348.08835	1.8
372.08731	2.2
390.06128	1.4
398.06729	6.7
414.06247	3.7
416.07608	2.3
441.99799	2.4
442.05679	36.2
443.05914	4.0
460.06577	4.0
502.13199	6.0
520.13971	4.9
522.11951	8.4
546.11981	33.4
547.12317	4.3
564.12994	100.0
565.13519	15.7
659.43567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69552	1.1
59.01380	3.0
62.65088	1.0
65.05051	1.1
65.92778	1.0
67.01878	1.1
69.52692	3.3
69.53099	1.8
70.83406	1.0
71.01381	2.3
85.02956	4.2
95.01407	1.3
98.21915	1.4
107.84316	1.3
113.01759	1.5
113.02419	6.7
152.01201	1.0
158.14455	1.2
161.10448	1.1
169.06664	3.0
171.04558	3.7
173.06190	1.2
175.02524	4.2
179.95686	1.0
181.85747	1.2
190.14313	1.1
197.06097	6.7
199.03983	1.3
213.05478	2.1
225.05530	3.1
241.05075	2.0
250.20343	1.3
269.04568	100.0
270.04974	5.0
271.05905	1.1
277.77261	1.3
445.07745	20.8
446.08087	2.3
543.58282	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01381	4.3
64.13715	0.7
65.00343	3.9
68.99818	0.7
69.38492	2.6
71.01378	2.7
72.99289	0.8
75.00865	0.8
75.22464	0.6
85.02948	6.2
86.75830	0.7
87.00857	0.9
93.03496	0.8
94.38157	0.7
95.01379	3.6
96.96017	1.9
96.99332	0.9
99.00905	1.5
103.00396	1.1
103.47612	0.7
111.00878	10.1
113.02454	14.4
115.00338	0.6
117.03500	1.2
119.05030	7.6
123.00912	2.5
125.02457	0.9
136.98785	4.2
137.02478	1.6
139.00371	10.1
142.68427	0.8
143.04955	1.4
151.00389	2.9
151.05550	1.0
164.98294	6.2
166.99883	3.1
167.05031	1.3
169.06577	2.5
170.77319	0.7
171.04518	2.5
173.06084	1.0
175.02487	6.4
178.41054	0.7
183.04506	1.0
185.06219	1.1
192.00623	1.1
195.04480	1.6
197.06113	2.6
198.03221	0.8
199.03915	0.9
201.05635	0.8
213.05583	1.9
217.05087	1.0
223.04060	3.1
225.05615	1.9
241.05057	3.6
245.04594	1.3
255.02914	1.0
255.64540	0.8
267.02972	1.5
268.03778	0.8
269.04562	100.0
270.04926	5.3
283.02448	4.6
285.04071	75.1
286.04269	3.3
334.82562	0.7
383.37329	0.8
445.07800	17.3
487.76013	0.8
555.09210	2.7
617.08038	0.7
651.08197	1.7
687.83099	0.8
731.18634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	6.5
68.25622	0.5
69.23200	3.6
83.01398	3.1
93.03521	0.6
101.55923	0.8
107.01414	7.9
117.03485	7.3
119.05055	0.9
125.02448	3.8
126.88322	0.6
143.04968	1.0
151.00380	26.2
159.04494	0.6
169.01469	1.2
171.04564	2.1
183.04480	0.9
195.04576	1.0
197.02473	0.7
197.06117	1.0
198.03200	1.4
199.04092	2.7
211.04086	1.5
213.05522	1.5
223.04044	1.4
224.04814	1.3
225.05672	0.9
226.02728	1.4
227.03526	11.0
239.03488	1.0
241.05074	1.4
250.02644	0.6
251.03473	4.8
252.04210	0.9
253.01515	0.7
254.01836	0.7
255.03000	16.7
256.03448	0.7
267.02863	1.4
269.04572	2.6
271.02530	1.9
279.03030	8.6
280.03561	3.2
281.00943	0.8
282.01981	0.8
295.02457	3.6
296.03314	2.1
297.04065	11.1
299.01962	1.0
313.05661	14.3
314.06006	1.4
323.01971	2.0
371.05878	1.1
387.05057	0.7
399.04880	0.8
417.06174	100.0
418.06650	7.1
443.04071	11.8
444.04379	1.1
569.07269	19.3
570.07751	1.2
730.99640	1.3
731.12592	25.2
732.13104	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	731.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84275	1.1
59.01376	3.0
59.85891	1.1
65.00311	3.9
69.51862	2.7
69.52238	2.5
78.02381	1.0
83.01398	1.4
93.03439	2.2
98.21861	1.3
107.01387	3.2
117.03469	2.8
121.55230	1.1
125.02451	2.7
125.03658	1.3
149.02531	1.5
151.00394	10.7
159.61320	1.1
162.03206	3.5
165.01994	1.5
171.04526	3.3
177.05624	3.5
183.04514	2.9
185.02557	1.3
198.03276	2.0
199.04015	3.9
209.06029	1.2
211.04060	1.4
225.05185	2.0
227.03508	10.6
249.05627	1.5
253.01552	2.2
253.04703	4.0
255.03003	29.8
256.03311	2.0
257.04730	2.1
269.04742	1.2
271.05804	2.3
281.00912	2.9
283.02390	2.2
284.03177	1.9
285.04102	2.4
293.04526	1.9
297.04126	3.7
301.59277	1.5
309.03894	2.0
321.04156	1.7
335.05746	4.9
339.05066	2.9
351.05127	3.1
361.03299	1.9
362.04172	1.4
363.05066	5.9
379.04581	3.4
389.02933	3.5
406.03342	4.3
407.04132	37.6
408.04471	1.9
417.06290	9.1
523.06940	1.7
569.07343	19.6
570.07831	2.7
731.12708	100.0
732.13049	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	731.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25998	1.4
54.79926	1.2
57.03431	1.4
59.01378	1.8
62.68398	1.1
63.02398	1.2
65.00323	4.9
67.29854	1.3
69.49455	2.2
69.49804	4.9
78.01065	1.2
83.01423	2.3
83.08355	1.3
93.03458	1.3
95.01373	1.8
98.22621	2.5
107.01405	5.2
112.65536	1.2
117.03471	4.7
123.00866	1.9
125.02467	3.3
127.68931	1.2
149.02577	1.4
151.00385	17.8
155.04990	1.6
162.03267	3.5
165.01875	1.4
171.04547	2.7
177.05582	3.8
183.04541	2.4
193.01378	2.3
198.03320	1.5
199.04059	6.9
211.04025	2.6
223.24580	1.2
223.77034	1.2
225.01944	2.5
225.05203	1.5
227.03546	13.8
239.03622	1.5
243.03130	2.1
251.03520	2.2
253.01462	4.4
253.04742	3.5
255.03003	42.9
256.03281	2.8
265.04996	1.4
267.03076	1.5
269.04526	2.7
270.35336	1.2
271.05661	2.0
273.04138	1.9
279.02997	2.1
281.00861	4.9
283.02579	3.0
285.04050	3.4
293.04688	1.6
295.02551	2.4
297.04099	5.9
307.06125	2.2
309.03983	2.1
317.04596	2.5
333.04004	3.0
334.04321	1.5
335.05606	6.8
339.05130	2.1
345.04120	2.1
351.05075	4.4
361.03485	3.3
363.05176	8.3
379.04361	2.5
389.03064	3.9
403.04840	1.5
403.26120	1.6
406.03278	4.6
407.04123	42.8
408.04373	3.1
417.06210	7.5
431.04083	2.7
445.79376	1.4
449.05252	1.6
481.08554	1.2
495.07022	1.5
510.52838	1.5
569.07214	22.2
570.07928	2.5
731.12640	100.0
732.13129	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	731.1257
Annotation	Oolongtheanin
Peak:m/z	Relative Intensity
59.01374	8.4
65.00317	4.2
67.54853	2.4
69.42342	8.8
71.01371	3.9
78.95917	6.5
79.95729	4.7
92.61053	2.2
96.96012	5.0
101.02393	2.6
107.01426	5.0
117.03447	7.3
125.02473	4.5
128.03584	3.9
133.02917	2.7
143.04604	2.3
149.02490	2.4
151.00372	15.4
161.02458	3.3
162.03247	29.7
177.05586	31.0
183.04509	2.5
190.42474	2.4
191.03342	2.5
199.04013	4.6
209.09485	4.8
225.05212	2.4
227.03481	10.5
233.02777	6.2
249.05576	5.1
253.04648	3.6
255.02997	33.1
256.03409	4.5
272.08923	2.2
279.06897	25.6
283.02539	10.9
284.03140	5.2
285.04044	4.2
305.60114	2.6
309.04053	2.4
335.05573	4.8
351.05060	3.4
363.04922	6.0
379.04535	2.8
389.03012	4.0
406.03354	4.4
406.99268	3.9
407.04117	40.8
417.06210	11.9
419.03690	3.3
443.96701	2.2
449.05267	3.0
553.20197	2.2
569.07428	25.1
610.64587	2.8
731.12616	100.0
731.25122	4.4
732.12830	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	731.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
61.71854	0.4
69.13461	3.0
83.01380	1.7
85.00154	0.5
94.02961	0.7
98.02481	19.3
98.88984	0.4
111.99620	2.9
126.01167	2.7
151.00693	1.0
154.04303	0.9
164.02675	0.5
167.00139	0.7
180.02318	0.6
181.67249	0.5
194.99722	0.9
197.04869	4.5
205.01727	0.6
207.03284	2.6
223.02800	25.2
224.03040	0.6
225.04372	23.4
226.04784	0.5
227.04053	0.6
241.03889	1.1
269.03342	100.0
270.03748	3.6
271.03049	1.7
449.94482	0.4
679.62891	0.5
690.97327	0.5
739.17786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.4
69.13294	4.5
82.02970	1.0
83.01371	1.3
98.02483	17.2
101.24949	0.7
111.99597	2.7
126.01148	2.6
141.02277	0.7
149.52234	0.9
158.36391	0.7
163.54768	0.8
189.04179	0.8
197.03354	0.9
197.04881	4.7
207.03311	2.2
222.97012	0.9
223.02795	24.6
225.02516	1.5
225.04382	21.0
252.78712	0.9
268.97311	2.7
269.03354	100.0
270.03635	2.7
271.03128	2.7
450.61554	0.8
706.08795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61306	0.8
59.01376	2.0
61.98843	1.0
62.98394	0.7
66.23299	0.7
69.07726	3.9
69.08130	1.6
76.52731	0.7
78.95908	20.1
79.65921	0.8
79.95753	4.0
96.96021	100.0
96.96947	22.4
98.22633	1.5
99.34712	0.7
101.76160	0.7
119.05037	1.1
122.02495	56.2
238.00337	1.9
252.19418	0.9
253.25101	0.8
280.01361	7.5
327.15912	1.1
343.02551	2.5
450.19293	1.6
513.56378	0.8
573.22394	10.3
574.22314	1.0
671.18744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61306	0.8
59.01376	2.0
61.98843	1.0
62.98394	0.7
66.23299	0.7
69.07726	3.9
69.08130	1.6
76.52731	0.7
78.95908	20.1
79.65921	0.8
79.95753	4.0
96.96021	100.0
96.96947	22.4
98.22633	1.5
99.34712	0.7
101.76160	0.7
119.05037	1.1
122.02495	56.2
238.00337	1.9
252.19418	0.9
253.25101	0.8
280.01361	7.5
327.15912	1.1
343.02551	2.5
450.19293	1.6
513.56378	0.8
573.22394	10.3
574.22314	1.0
671.18744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
65.00352	1.2
71.01373	2.3
71.40345	0.7
73.02942	1.0
83.01382	1.7
83.37522	0.6
83.82926	0.5
85.02953	0.6
89.02435	1.1
91.01911	1.2
91.05546	0.7
95.01382	0.8
96.96017	1.3
97.03022	0.6
101.02451	2.3
108.02173	1.4
113.02458	1.1
117.03460	1.0
119.05034	1.9
121.02962	1.4
123.04509	2.5
125.02502	0.7
131.05032	0.8
135.04533	1.6
136.98802	1.3
145.03027	0.7
147.04523	2.0
148.01692	2.1
149.02458	9.8
149.06125	0.6
159.04512	1.0
161.02472	2.6
161.06049	0.6
162.03235	2.4
163.04047	8.5
164.98334	0.8
166.44719	0.6
167.03493	2.5
171.04539	1.1
173.02509	0.7
173.06104	6.6
175.00381	1.4
175.03970	1.6
176.01102	1.8
177.05606	0.6
184.02156	0.6
185.06105	0.5
189.01952	4.3
190.02728	5.8
191.03519	17.1
199.04118	0.7
203.03561	2.2
204.04327	2.4
205.05074	1.5
214.02756	5.7
217.01476	1.4
221.04666	1.3
232.03867	0.8
233.04530	1.4
241.05063	2.6
249.09129	0.7
263.07111	2.4
269.04626	7.0
277.08710	5.1
281.08206	16.9
283.09479	0.6
285.07697	0.7
291.10208	1.1
293.08264	6.8
295.09726	3.8
299.09360	1.1
305.08194	2.1
307.09866	1.0
309.11276	0.9
323.09265	100.0
324.09561	4.2
325.10898	0.8
335.09302	4.6
337.10825	3.6
341.10065	1.2
345.06186	0.7
353.10309	48.8
354.10571	2.3
360.17322	0.6
365.10318	35.5
366.10596	1.8
371.11264	2.2
383.11215	1.2
395.11383	14.5
396.11914	0.7
401.12527	1.7
407.11551	0.8
413.12537	0.7
425.12521	6.7
426.12726	0.7
443.13510	50.3
444.13812	3.0
455.13309	0.9
461.14542	1.4
467.13223	1.1
473.14545	14.4
474.15054	0.9
485.14664	2.0
545.16681	1.8
555.09045	1.3
563.17999	4.8
611.17639	2.2
627.34674	0.8
718.59338	0.6
731.22113	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	731.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04254	1.1
52.51683	1.2
57.03438	2.0
57.80943	1.0
59.01373	6.8
61.37311	1.1
65.00330	1.6
67.65611	1.1
68.99815	1.1
69.31823	7.0
69.32121	2.1
70.38903	1.3
71.01388	10.0
83.01375	1.5
85.02960	16.2
88.98805	1.6
89.02429	1.8
95.01398	5.0
96.96015	1.6
101.02459	2.0
105.19048	1.2
113.02467	16.6
136.98787	2.6
137.10841	1.3
147.04518	4.1
151.00438	1.8
159.04498	3.7
164.98265	2.1
171.04507	3.0
171.35088	1.2
172.01785	1.5
173.06084	3.7
175.02649	1.3
175.03961	6.4
177.05585	3.3
183.04494	2.2
187.04018	3.0
201.05606	1.6
211.04013	1.2
227.03432	2.6
228.04396	1.7
229.05023	2.3
241.05067	4.2
244.00163	2.5
255.02893	3.3
255.06636	2.4
256.03909	1.8
269.04599	9.7
270.04959	1.5
281.04733	1.4
283.06049	3.0
285.03995	2.9
296.03415	3.0
299.05685	3.1
301.03427	1.4
315.31317	1.6
359.09274	5.5
360.06293	2.3
361.10904	1.4
376.05966	8.9
377.10428	9.2
387.08783	11.3
388.09116	1.8
405.09811	21.4
406.10019	1.5
419.07376	1.3
731.21991	100.0
732.21973	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	731.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01388	6.4
65.00328	1.5
68.99819	0.9
71.01388	10.6
72.99297	0.7
73.02967	0.8
83.01355	1.1
85.02960	16.7
89.02448	1.3
95.01412	5.1
95.37713	0.8
96.96002	0.7
98.21871	2.4
99.00869	0.9
101.49122	0.7
102.74611	0.8
108.02219	1.3
109.02976	0.8
113.02457	15.8
115.33877	0.7
119.03526	0.7
121.02953	1.0
123.04540	0.9
130.75645	0.7
135.04527	2.4
136.98816	1.5
141.07022	0.9
143.05003	1.1
145.02991	1.1
146.03670	1.2
147.04558	3.5
149.02400	0.7
159.04536	2.7
164.98256	1.7
165.01970	0.9
167.03560	1.1
169.06650	1.0
171.04536	2.3
172.01682	1.1
173.06055	3.4
175.02444	2.4
175.04007	4.8
177.05586	2.5
179.03545	1.0
183.04546	1.8
185.02486	0.9
185.06068	0.9
187.03976	1.9
197.06017	1.3
199.04001	1.4
200.04787	0.9
201.05539	2.2
211.03831	1.0
212.04971	1.2
213.05644	2.3
215.03584	0.8
216.00562	1.3
225.05598	1.0
227.03514	2.6
228.04326	1.0
229.05209	1.8
233.04645	0.8
241.05106	3.9
243.06546	1.0
244.00180	1.5
253.05037	1.3
255.03084	2.1
255.06648	1.9
256.03815	2.5
257.04617	2.0
267.02750	0.8
268.03809	0.9
269.04572	34.7
270.04907	2.8
271.06076	1.1
271.99756	1.0
283.02789	1.8
283.06165	2.4
284.03201	1.2
285.04022	1.7
296.03247	3.4
299.05585	2.4
301.03516	1.0
315.10172	1.1
323.07587	0.9
335.05585	3.1
348.06335	1.2
353.06717	1.5
359.09387	3.5
360.05991	0.9
361.10757	1.6
363.17520	0.9
364.18329	1.5
376.05878	6.3
377.10275	6.7
387.08722	9.0
388.09088	1.5
405.09784	19.0
406.09985	1.4
445.07785	2.8
533.11145	1.8
624.69788	0.8
731.21967	100.0
732.22369	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	731.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	19.5
70.48467	2.5
85.00446	8.9
87.00879	7.2
88.98814	100.0
89.02450	56.0
120.53890	1.3
121.02961	2.2
122.02489	2.5
147.32800	1.3
168.81389	1.1
186.38564	1.2
266.87506	1.4
270.86880	1.1
373.56671	1.4
438.13846	1.7
481.15387	16.8
482.15656	6.6
495.16937	2.0
497.18231	4.3
514.15228	4.4
525.14130	1.7
540.16595	7.4
555.18854	45.7
556.19208	4.3
572.15662	4.7
584.16443	1.5
654.12054	1.5
659.23639	27.5
660.23212	2.2
671.19232	1.6
731.25854	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	731.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47983	1.1
54.20819	1.1
54.40916	1.1
55.36953	1.1
55.55238	1.0
56.45427	1.1
57.22029	1.1
59.01383	1.9
62.77312	1.0
85.02969	4.9
94.69094	1.2
97.06596	3.8
98.22651	4.0
112.75636	1.1
119.05090	1.4
122.02470	1.6
127.11302	2.1
160.36380	1.4
171.10300	7.4
171.27046	1.3
183.13950	1.4
185.11775	1.2
193.12277	1.4
211.13385	18.5
212.13786	1.2
221.11821	3.9
229.14470	15.8
234.01265	1.3
248.81509	1.3
255.02975	1.4
263.49261	1.2
264.99139	1.2
271.13492	2.0
283.02545	2.8
284.03259	2.7
289.14594	2.1
291.19650	2.7
327.21783	100.0
328.22171	8.2
403.14117	2.9
437.05667	1.5
560.24146	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	732.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78878	1.7
53.16784	1.7
58.99188	1.5
59.01382	3.5
59.28758	1.7
60.76174	1.9
61.98837	100.0
74.72340	1.5
74.96446	5.0
76.96105	1.7
79.16357	1.7
81.03439	2.4
99.04517	2.3
101.02435	3.5
103.17710	1.7
108.02195	1.6
109.02966	11.4
110.94125	23.7
112.93839	11.3
114.93488	2.8
121.02982	2.3
122.14007	1.8
123.04514	2.1
125.02469	10.4
137.02510	8.1
149.02461	15.6
164.01202	3.0
165.01967	19.1
166.02708	4.7
167.03532	12.1
168.94661	2.6
175.04039	5.0
177.01941	2.1
190.99876	5.4
192.00616	4.4
193.01436	23.0
199.04053	3.9
204.92302	39.3
206.92043	21.7
208.91766	2.5
211.03972	2.0
217.05096	3.1
223.03922	2.3
239.03499	1.9
241.05067	7.7
243.03015	3.1
267.02982	24.8
284.03320	4.7
285.04068	27.5
303.05048	3.7
303.54556	1.7
355.06845	2.1
371.09811	6.0
381.08411	2.2
397.07935	18.0
447.09302	7.3
465.10477	4.5
489.10342	17.4
501.21988	1.7
507.11536	31.6
508.11960	1.9
513.36572	1.8
557.64246	2.1
559.13141	3.8
669.16797	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	732.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04631	2.9
57.03445	2.7
59.01382	21.6
61.98833	7.6
62.85347	2.6
69.23752	16.8
71.01400	5.4
73.02944	6.4
73.04100	4.8
74.02464	3.1
78.95914	3.5
83.02518	3.1
84.62599	2.8
85.02951	3.8
89.02436	3.4
95.02563	2.6
96.00918	40.1
96.96011	18.8
98.02494	8.8
98.21951	6.0
99.42223	2.8
101.02446	8.1
110.02501	38.5
113.02468	5.8
113.03586	70.1
119.05078	3.7
123.04607	3.1
129.10349	12.5
130.08736	33.5
132.30881	2.5
135.04556	3.3
139.08774	2.7
141.10378	5.0
143.11893	23.6
146.06125	6.0
149.03603	4.8
165.98946	3.4
166.08786	3.2
169.09843	12.6
180.10287	3.7
186.12540	4.6
187.10892	11.4
200.14110	13.3
207.15099	3.6
223.10905	4.4
226.12221	3.7
242.11774	6.9
242.18657	3.1
244.13112	5.3
283.02121	3.5
285.03922	5.7
306.10190	3.6
313.22501	5.0
330.07556	3.4
338.20239	2.8
354.21777	6.5
357.21390	8.1
372.22873	11.2
429.25024	6.1
485.89905	3.1
526.13013	2.9
600.33954	4.2
617.36810	9.2
697.35742	65.5
698.35901	7.8
714.38367	100.0
715.38354	14.3
732.28149	5.4
732.39514	35.3
733.28387	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	733.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.1
59.01376	4.7
65.00315	2.5
68.99809	1.0
70.64711	1.0
71.01402	6.1
75.00870	1.9
75.56592	1.0
82.34586	1.2
85.02938	9.9
87.00826	1.2
95.01395	4.8
98.21815	2.5
99.00880	3.7
101.79618	1.1
103.00387	1.3
105.45775	1.1
111.00890	4.5
113.01701	1.9
113.02457	19.9
124.01680	8.1
129.57486	1.0
130.87683	1.2
136.01643	3.1
136.98820	3.6
137.14969	0.9
139.00357	4.3
139.33507	1.0
149.46121	1.1
151.11819	1.0
152.01166	7.9
157.30046	1.1
166.99881	3.1
168.10457	1.0
173.06119	1.9
175.02473	7.9
185.05992	2.4
189.80838	1.1
209.06102	1.4
225.05582	4.6
227.07088	1.8
243.06622	30.6
253.05106	3.8
269.04498	8.0
270.04901	5.9
271.06131	100.0
272.06479	2.3
285.04010	2.5
447.09280	15.0
507.15073	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.3
65.00325	16.2
71.01382	6.9
71.14622	5.7
71.24538	6.4
75.91597	4.7
85.02933	7.1
104.90549	5.8
111.00887	6.5
111.51566	5.1
113.02457	15.3
136.98825	8.7
146.85693	5.6
164.98297	11.8
175.02553	7.4
197.06123	6.9
241.05196	6.1
269.04581	100.0
287.05588	60.8
322.72748	6.1
463.08755	9.1
497.26175	6.1
574.00635	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	733.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40145	1.0
58.04103	2.1
59.01381	8.6
65.00337	1.8
68.18960	0.9
71.40480	2.1
81.03456	2.8
83.01392	10.9
83.02515	4.4
85.02950	1.2
93.03466	1.3
96.96045	1.8
98.32243	1.1
100.05188	3.9
109.07725	1.8
109.51730	1.0
110.02519	2.3
110.06146	3.4
115.04025	8.6
123.03277	2.9
123.04537	2.0
125.02433	1.2
127.09635	0.9
134.02484	3.0
134.06110	5.5
135.03284	4.0
135.04463	1.6
135.05634	2.5
136.00418	1.9
136.04100	1.9
138.01974	1.5
149.02513	1.4
151.02763	4.3
151.08788	2.9
152.07166	4.2
152.08321	13.3
165.00691	1.9
165.05563	16.3
166.01456	1.7
166.08832	1.4
167.08305	1.5
171.04482	1.5
173.06081	1.7
178.05029	6.1
184.08383	0.9
184.09715	5.3
192.03035	2.6
194.09348	12.7
196.06218	1.8
200.07300	1.1
210.07643	8.6
226.08636	2.1
226.11981	44.8
227.12169	1.1
228.06715	1.6
237.09880	1.7
238.08403	5.6
241.05116	1.7
242.08224	35.1
243.06613	2.6
243.08751	1.6
252.09906	39.7
263.08148	1.1
268.06192	1.4
269.04547	2.6
270.07736	100.0
270.10663	4.6
271.08081	4.4
285.04126	1.5
312.04504	1.9
322.10858	1.5
339.13202	2.1
364.12836	1.7
381.15701	27.3
447.08960	1.4
465.17868	1.5
539.09698	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22330	1.2
56.20753	1.1
59.01390	18.4
61.98843	9.7
65.00349	2.0
71.01398	9.5
73.02942	2.2
85.02954	4.6
87.00863	1.6
89.02456	6.5
93.03462	1.5
95.01414	1.6
96.95998	3.3
101.02469	6.5
113.02448	5.2
117.03476	1.4
119.01398	2.7
119.03528	1.7
119.05011	4.9
120.08183	5.2
121.02974	4.5
122.02479	1.5
122.06116	7.2
123.03311	1.3
124.01699	5.1
131.69865	1.3
134.03763	1.4
135.04538	4.5
136.07727	1.5
138.05620	7.3
140.17303	1.3
147.00897	2.7
149.02466	22.7
150.03239	3.6
160.01698	1.4
161.02484	2.9
163.04037	2.1
164.04791	18.6
164.98293	1.8
167.03625	1.6
175.00372	19.5
175.04071	1.9
176.01163	14.5
177.02097	1.4
189.02127	1.2
190.02742	60.4
191.03496	17.0
205.05075	52.0
206.05679	3.4
208.03625	1.6
209.04628	4.4
221.08336	1.4
223.06143	12.7
243.87881	1.4
255.96252	1.5
265.07123	1.7
265.09784	1.2
277.09854	1.5
278.10703	2.7
285.04044	3.7
286.04541	1.4
291.11353	1.4
293.12979	5.3
303.19696	9.4
308.11578	2.0
321.20688	2.7
338.12631	1.6
353.10101	2.5
430.17856	2.4
460.18661	1.8
474.16867	1.9
483.26007	13.2
506.19299	3.7
527.24780	4.0
533.89105	1.4
540.50299	1.4
540.76672	1.3
553.24426	1.9
597.23730	11.2
611.24707	1.3
629.26318	4.9
639.03473	1.5
645.33337	1.6
671.30182	1.8
689.31451	8.4
701.27588	2.2
715.29803	16.9
733.30823	100.0
734.31378	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01285	1.4
54.01031	1.5
59.01387	18.8
61.98818	6.5
65.00309	1.9
69.03462	2.5
69.07841	9.0
71.01385	15.9
73.02960	5.4
83.01374	2.6
85.02959	9.6
89.02467	2.5
91.01859	2.5
93.03475	3.8
95.01373	1.8
97.02966	2.1
98.22619	3.8
99.00877	2.4
101.02447	8.6
105.46864	1.7
113.02431	7.9
113.03575	2.0
116.92854	1.9
117.03467	1.5
119.01405	3.4
119.05029	6.0
121.02956	16.7
123.04522	1.5
132.02170	2.2
134.03766	2.0
135.04533	4.6
137.02351	1.6
145.73631	1.6
147.00896	4.5
147.04495	6.6
149.02455	100.0
150.03143	6.2
156.70306	1.6
160.01685	3.6
161.02446	1.8
163.04028	4.4
164.04813	75.0
165.05400	3.6
175.00375	26.9
175.03995	2.2
176.01129	13.6
177.05518	1.6
179.07126	8.9
179.75903	1.7
189.12766	2.7
190.02740	76.6
191.03506	16.5
205.05089	62.5
205.06885	1.3
206.05661	3.4
208.03882	2.4
209.04680	2.7
221.08102	1.9
223.06143	83.0
224.06450	3.1
231.97673	1.7
244.73543	1.6
248.79395	1.4
258.13101	1.7
262.52280	1.4
265.07101	5.3
275.20181	3.4
277.21786	4.9
285.04196	2.4
303.19595	5.8
321.20758	4.9
325.09402	2.1
347.18704	5.0
365.19760	10.2
367.10190	7.9
389.71704	1.6
483.26175	21.1
484.26263	3.3
527.24963	20.0
528.25311	2.6
548.53979	1.5
645.32886	17.4
646.33179	3.0
657.28815	2.4
689.31720	30.9
690.32422	4.7
698.35535	2.2
733.30792	93.4
734.30823	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	733.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90597	1.7
55.01876	3.6
57.03444	3.6
59.01385	100.0
60.79990	1.6
61.91882	1.5
61.98834	3.1
62.38544	1.4
69.03467	2.4
69.90855	5.2
71.01386	72.8
73.02956	35.6
74.21526	1.4
83.01404	10.3
85.02149	1.6
85.02950	26.8
87.00883	6.5
89.02451	15.0
95.01412	7.2
97.02969	2.8
99.00307	2.1
99.00868	8.4
101.02454	41.7
113.02469	36.0
117.03513	3.0
119.03517	5.8
119.05010	1.8
124.01720	1.9
125.02480	2.3
143.03525	7.6
159.03021	4.3
161.04565	39.1
183.13985	2.7
195.13916	22.8
209.15538	3.5
211.13326	1.6
213.14926	7.7
214.15338	1.9
237.15053	5.6
269.12216	1.7
289.16605	54.5
290.16824	3.3
342.03549	1.9
344.59134	1.5
357.19208	63.7
358.19510	3.5
375.20322	24.5
394.36279	1.9
399.20297	20.1
414.10516	2.0
417.21335	28.9
429.77673	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	734.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.6
63.11116	0.7
65.00321	0.8
68.15804	0.7
71.01389	4.8
72.99316	1.1
73.02908	0.8
75.00887	1.9
82.50155	0.7
83.01385	1.5
85.02960	9.0
87.00867	1.7
87.64795	0.7
89.02420	1.1
92.12232	0.8
93.03452	1.9
95.01407	4.3
97.25436	0.7
98.21731	1.5
99.00866	3.7
103.00369	2.1
111.00887	3.4
113.02460	20.4
113.03259	1.2
116.95911	0.7
117.01940	1.6
119.05035	20.5
123.00878	2.9
124.01612	1.3
130.25458	0.7
130.54982	1.0
136.98808	2.6
137.02457	1.7
138.99335	1.0
139.00389	16.3
141.01942	1.8
150.24329	0.7
153.01958	23.9
157.01407	0.8
166.99881	21.1
173.06090	1.2
175.02483	13.8
181.01442	13.0
193.01460	2.3
193.03545	2.4
196.23320	0.7
201.05528	1.0
241.05049	0.9
243.06696	0.8
259.06128	2.7
269.04553	5.2
285.04169	1.1
287.05637	100.0
288.06021	3.7
463.08868	36.6
464.08862	1.9
754.28583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16154	0.3
59.01368	0.3
60.06938	0.3
61.98834	100.0
71.90726	0.3
77.85685	0.3
78.95918	0.5
79.95737	0.9
96.96017	24.1
96.96994	0.8
107.35854	0.3
109.89933	0.3
123.00939	0.4
134.77631	0.3
135.04579	0.3
161.94722	0.3
193.49821	0.3
241.71295	0.3
247.99585	0.3
269.04559	0.6
271.06561	0.4
271.10001	0.3
273.18549	0.5
288.05911	0.4
317.17477	0.6
329.17630	0.7
347.18631	9.9
348.18948	1.2
389.19855	0.5
509.23959	6.3
510.24353	0.7
619.94177	0.3
671.29297	17.8
672.29840	2.0
707.87183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90953	1.3
58.02984	16.1
59.01385	9.1
66.03491	1.8
71.01373	1.4
71.39585	1.2
72.97538	1.3
74.02484	29.7
81.04565	3.0
82.02995	3.8
82.06482	1.1
84.04564	1.6
86.02496	10.2
86.06158	2.8
87.05635	5.8
89.00662	4.0
90.49602	1.3
97.04096	2.9
99.05650	23.5
100.00426	1.4
101.07231	2.9
102.05620	5.9
107.06142	1.6
108.04526	1.5
109.04083	4.9
111.05692	1.8
111.58849	1.4
112.04071	2.3
123.05664	1.8
125.03590	3.1
125.05332	1.2
127.05184	2.7
128.03566	69.2
135.04726	2.2
135.05652	9.3
141.06735	3.6
143.04642	84.9
145.06210	4.0
146.04619	10.4
153.06705	4.8
166.09872	4.2
167.04639	3.2
167.08252	6.4
170.03336	2.2
179.04643	17.9
181.06291	2.7
185.05707	1.9
192.07776	2.6
197.05682	2.1
204.69917	1.3
205.02950	2.6
210.08887	22.7
241.23425	1.5
243.51756	1.4
252.02966	3.0
254.07858	28.4
272.08902	100.0
273.09335	1.9
302.17807	1.4
339.20013	2.6
357.20883	7.3
362.10358	10.5
385.20352	1.5
401.19870	2.2
461.22137	4.1
501.26456	2.2
612.30005	2.9
630.30786	25.6
631.31519	1.9
656.28632	15.4
674.29712	43.9
675.30188	1.8
692.31195	3.0
734.31897	21.7
735.32465	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.0
63.42993	2.2
69.51611	2.1
69.65549	2.1
71.01384	5.3
71.61728	2.5
77.27536	2.5
85.02961	10.2
95.01403	7.0
98.21786	2.9
99.00903	3.3
111.00919	4.2
113.02458	29.4
114.02812	3.3
124.01681	9.0
136.22968	2.1
136.98868	3.6
139.00371	7.6
152.01157	6.7
166.99835	3.8
173.06113	3.3
175.02522	9.7
201.05629	2.2
214.15945	2.1
225.05666	4.1
227.07227	2.5
243.06573	28.8
244.06999	7.9
245.07103	2.8
253.05116	3.6
271.06134	100.0
272.06436	22.3
273.06674	13.3
284.39291	2.6
286.04358	2.9
286.35706	2.2
353.58801	2.4
447.09109	13.5
449.09995	4.5
637.58221	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	735.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35387	1.3
57.03441	1.9
63.02421	1.3
63.95399	1.1
65.00323	1.4
69.43671	5.6
71.34729	1.0
83.01373	1.5
96.14857	1.1
96.96036	10.3
98.21866	1.2
107.01415	2.1
117.03442	5.5
118.69930	1.2
125.02451	13.6
128.48723	1.2
135.04547	6.5
139.00415	1.3
149.02437	3.5
151.00427	6.5
153.01939	3.0
161.02428	1.9
166.99931	3.0
175.04018	2.8
177.01941	2.5
181.01460	3.1
183.04500	2.3
191.93834	1.1
197.06110	1.9
199.04155	1.3
217.05141	1.7
225.05623	3.2
234.16641	1.1
238.06526	1.3
269.04575	100.0
270.04889	4.7
285.04092	14.2
303.05124	13.6
383.52191	1.2
431.09857	88.9
432.09970	6.8
512.39514	1.2
615.96326	1.1
697.24829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.8
61.98848	0.7
71.01389	4.7
73.02931	0.6
82.47435	0.6
83.01389	0.8
83.60311	0.5
85.02962	3.0
87.00882	2.5
89.02470	2.7
89.03990	1.1
95.01395	1.3
97.02966	0.5
98.22723	0.9
101.01328	0.5
101.02475	1.4
109.02926	1.0
110.00097	0.5
110.94086	0.6
113.02459	4.0
117.03463	3.3
119.03529	1.0
119.05031	1.2
127.04041	0.8
132.02185	24.0
133.03038	1.4
134.03760	34.9
134.28450	0.5
149.06081	5.1
155.65799	0.7
160.01682	84.1
161.02379	2.9
161.04572	0.8
167.07152	1.3
175.04028	100.0
176.04301	3.0
178.02742	1.6
193.05083	30.3
329.12616	1.0
342.45767	0.6
457.17566	0.7
487.16138	1.1
505.17227	18.8
517.19360	1.1
547.18103	2.0
615.20703	2.4
633.21613	0.8
649.37952	1.0
651.23157	0.9
675.23108	1.0
693.24146	8.0
735.25098	18.3
736.25439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.8
59.01385	44.6
59.14975	1.7
69.15274	4.9
69.15686	5.4
71.01389	27.4
73.02954	5.9
73.15874	1.8
83.01395	4.0
85.02987	5.5
87.00877	7.2
89.02454	22.7
95.01398	3.3
96.96024	1.7
97.03007	3.7
97.23302	1.6
98.21930	4.7
99.00900	2.2
101.02454	19.8
113.02466	9.0
119.03497	7.0
125.02470	5.7
141.01881	1.8
143.03525	3.1
145.05640	1.8
160.62218	1.7
161.04565	5.1
161.95454	1.7
179.05626	5.7
221.06573	2.1
235.08223	8.1
242.08281	3.7
270.07709	4.0
277.21744	74.5
278.22092	3.6
287.07767	3.6
305.08618	3.7
397.13495	100.0
398.13632	3.3
415.14603	37.4
552.59961	1.9
588.01752	1.7
693.88110	2.1
723.60907	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03458	3.4
59.01386	19.6
65.00332	1.9
67.01889	0.9
68.16254	0.7
68.99824	1.6
71.01391	20.0
72.99310	3.1
73.02944	1.7
73.35288	0.6
75.00878	9.1
83.01397	1.3
84.02169	0.9
85.02959	37.0
87.00893	5.5
89.02444	2.8
95.01394	11.7
99.00887	13.7
101.02479	1.1
103.00378	6.9
111.00903	1.0
113.02463	76.7
114.02752	1.3
115.00372	2.8
115.93643	0.7
117.01971	4.3
117.03489	2.6
128.59351	0.6
129.01955	2.6
136.98813	5.3
139.00432	1.3
142.05739	0.6
152.01141	1.2
154.04305	0.7
157.01399	1.9
161.02460	0.7
164.98299	7.1
167.04973	0.6
175.00961	1.4
175.02496	27.3
178.99951	0.7
180.00578	1.7
183.04565	3.4
185.02464	1.8
211.04063	2.3
217.21141	0.7
226.02670	1.7
227.03568	1.5
239.03445	0.8
251.90509	0.7
254.02194	0.7
255.03006	15.7
256.03421	0.9
269.04422	3.3
283.02509	81.7
284.02908	4.0
296.03192	1.3
297.04025	5.3
298.04840	100.0
299.05374	4.0
311.05634	2.1
313.07196	53.9
314.07437	2.0
355.08228	2.3
420.97339	0.7
436.97366	0.7
475.12198	0.9
489.10471	2.5
503.12112	1.7
517.13544	78.8
518.13934	7.1
651.16223	0.9
693.16656	6.7
693.33673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
64.04025	1.0
65.11370	0.9
69.05373	2.3
69.05791	5.0
102.20295	1.0
103.06147	0.9
109.02965	3.5
119.01389	2.7
121.02977	4.1
125.02464	15.6
145.02992	0.9
147.00893	9.7
147.04523	1.8
148.01619	1.1
149.02457	3.4
163.00392	5.0
171.04558	1.4
174.03238	1.3
175.04047	2.3
177.01999	1.2
181.05110	1.4
183.04512	2.8
185.06154	1.2
189.05612	2.4
191.03595	0.9
195.04549	1.2
199.04034	3.2
211.04050	4.5
212.04765	1.0
213.05565	2.1
215.03522	1.3
217.05072	3.7
227.03535	9.5
228.04321	1.4
229.05142	2.1
239.03477	3.5
240.04272	2.2
241.04999	2.9
255.03009	15.3
256.03732	4.5
257.04486	5.8
259.71307	1.1
267.02917	1.1
283.02515	31.7
284.03293	29.8
285.04077	100.0
286.04349	1.6
299.05646	1.0
309.04178	2.0
488.09592	7.7
489.10452	77.0
490.10861	3.7
504.52853	1.0
531.11664	1.4
693.17023	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	737.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35454	1.0
57.03456	1.4
58.02988	8.0
59.01391	7.4
66.88265	1.2
67.01875	1.1
70.62769	2.5
71.01396	9.3
74.02483	11.6
82.03002	5.4
83.01410	1.9
85.02956	9.8
87.05669	1.4
89.02457	6.1
95.01393	3.8
96.04563	7.1
97.04096	8.6
98.02497	3.6
99.05637	10.2
99.85432	1.1
100.00443	1.5
101.02468	2.5
108.04581	7.3
109.04088	2.3
110.02462	1.6
112.04076	9.4
112.07703	8.3
113.01777	1.1
113.02461	28.2
113.03590	6.0
122.06138	3.0
123.04532	1.3
124.04057	5.5
125.03532	1.7
125.04832	3.5
126.05621	4.3
127.05167	11.6
135.04547	16.4
137.07201	3.6
138.05614	1.4
140.07190	14.5
143.04668	2.2
152.03581	4.1
155.08292	23.7
155.92613	1.2
161.04619	1.2
165.06685	16.1
180.97887	1.2
183.07784	25.6
199.13806	1.1
227.06769	51.5
228.07225	1.6
231.56044	1.2
275.07104	98.9
276.07364	4.1
315.10944	3.3
399.86142	1.4
461.16702	100.0
462.16931	6.6
559.35547	1.4
653.01678	1.1
685.04242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90195	0.4
64.10072	0.4
65.00329	32.6
68.54108	0.4
69.12328	0.4
69.34660	1.3
92.99821	6.3
96.99313	8.0
108.99324	2.6
110.00115	1.4
111.00849	0.7
119.05036	18.3
120.88143	0.4
120.99322	3.6
136.98817	26.4
137.99207	0.5
138.01990	0.5
139.00363	1.1
144.41478	0.5
152.03578	1.3
163.99901	0.6
164.98306	80.0
165.99078	5.0
166.01448	0.7
167.27696	0.4
177.67990	0.4
177.99078	1.0
180.03015	1.2
187.03981	0.7
196.24309	0.5
197.06087	0.9
199.04047	0.7
213.05609	0.9
215.03568	2.4
229.04942	0.5
241.05006	0.7
243.02979	0.7
257.04492	3.1
285.04068	100.0
286.04367	3.0
286.07263	5.7
726.55731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	42.0
60.55665	2.5
62.63509	2.3
71.01383	23.6
73.02960	4.4
74.85519	2.3
75.58711	2.6
85.02993	5.4
87.00858	6.6
89.02457	19.0
97.02964	5.1
101.02451	21.5
111.73720	2.7
113.02455	7.7
119.03535	9.4
125.02454	9.0
131.60912	2.5
139.03978	3.0
143.03558	2.8
145.32669	3.0
161.04599	5.0
167.99738	2.5
179.05623	5.3
235.08238	10.5
269.04526	4.1
270.07700	3.5
279.23334	81.8
280.23828	5.0
281.57986	2.6
287.07758	4.3
305.08868	4.1
397.13556	100.0
398.13678	5.2
415.14529	29.7
424.15634	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	737.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94351	2.7
59.01389	46.7
61.50804	3.1
61.98853	5.4
71.01388	23.8
73.02955	3.4
73.34155	2.6
74.05347	2.7
76.97782	2.9
81.63439	2.6
83.01388	3.5
85.02975	4.8
87.00892	3.5
89.02461	28.0
97.02949	5.6
101.02448	21.0
113.02453	10.1
119.03548	5.0
125.02465	10.3
143.03535	3.3
161.04613	5.1
177.06744	2.8
195.60100	2.6
217.00357	4.2
235.08270	12.3
237.38640	2.5
279.23322	85.4
280.23782	4.9
284.95993	2.8
287.07739	3.9
382.36417	3.0
397.13504	100.0
398.14090	4.3
415.14606	29.6
662.51727	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	737.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96888	1.4
58.56625	1.5
59.01394	9.9
61.98807	3.1
65.35136	1.5
67.86018	1.3
69.03442	4.9
69.16415	3.1
69.16816	7.6
71.01376	6.4
71.04997	2.0
85.02924	2.3
89.02419	2.7
90.07262	1.5
98.22705	2.6
101.02446	4.4
113.02404	3.4
115.31513	1.4
121.03000	3.0
125.09724	2.6
131.60587	1.4
151.11203	2.0
152.00996	1.4
153.12877	2.0
161.04552	1.7
161.09715	3.0
179.10780	6.5
183.13681	1.9
185.11806	1.6
195.10167	1.8
197.11853	86.8
198.12201	4.4
205.08661	2.0
223.09764	2.2
241.10872	6.6
253.09389	1.9
258.98862	1.7
277.21753	39.1
278.21979	2.5
335.20145	1.6
338.13739	1.6
375.68512	1.7
444.62671	1.6
459.18961	1.8
737.41254	100.0
738.41541	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	737.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66093	2.5
52.61798	2.8
58.25858	2.6
59.01369	6.0
60.76756	2.9
61.98832	4.8
65.56397	2.8
66.78339	3.8
69.03448	4.5
69.15966	15.1
71.01378	4.3
103.80986	2.6
171.57057	2.8
179.10747	7.8
197.11867	40.0
277.21786	48.5
311.92133	3.2
550.20825	3.4
737.41205	100.0
738.41534	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	737.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	0.1
59.01384	14.9
62.27078	0.2
81.03464	5.0
82.06636	0.3
83.05032	13.8
84.05374	0.2
100.07707	0.2
107.06211	0.3
108.04559	0.3
125.07226	1.0
126.05614	0.4
143.08287	0.3
162.67265	0.2
207.15068	1.2
211.46042	0.1
224.17690	2.0
225.16090	12.4
226.16318	0.3
242.18733	0.6
250.15623	0.3
251.14169	0.2
309.21793	0.9
324.26492	0.5
333.23029	0.7
341.29297	0.7
351.23877	0.2
367.27060	1.3
370.61368	0.1
407.33530	0.2
433.31927	1.2
450.34604	1.2
451.32953	8.0
452.33252	0.6
550.43512	1.2
559.39673	0.3
565.44452	0.5
593.44281	0.5
659.48889	2.0
660.49457	0.2
677.49701	100.0
678.50000	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	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47069	0.1
59.01386	0.3
61.98837	100.0
97.79022	0.1
105.25380	0.1
122.02497	0.2
195.22263	0.1
272.68262	0.2
316.44519	0.2
398.14096	0.2
399.14462	0.3
400.14731	0.2
707.46960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02924	0.1
57.21178	0.1
59.01378	0.3
60.50124	0.1
61.98835	100.0
69.83979	0.3
89.02451	0.2
101.02460	0.1
129.99600	0.1
137.02307	0.1
213.92744	0.1
277.21817	0.2
278.22119	0.3
331.88046	0.1
397.13480	0.2
398.14020	0.2
399.14273	0.3
461.81387	0.1
484.67926	0.1
570.27460	0.1
574.16705	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44498	1.0
56.31238	1.0
57.03456	1.5
59.01377	1.8
65.27029	0.9
67.20126	1.1
79.96586	1.0
83.01373	2.1
96.96013	3.8
102.43119	1.1
109.02956	2.1
113.36063	1.0
123.04553	1.2
125.02457	21.9
133.02950	3.6
137.02451	3.1
144.59032	1.0
149.84866	1.0
159.04536	2.6
160.01613	1.9
161.02455	20.4
164.01187	2.3
165.01906	3.7
165.38843	1.2
169.06599	1.7
173.06064	2.4
175.04045	1.4
182.03650	1.4
183.04492	3.9
185.02565	2.1
196.05371	2.0
197.06046	4.7
198.03168	1.2
199.03961	3.2
201.05630	5.2
224.04663	1.8
225.05487	6.8
227.03537	2.3
228.04231	2.5
240.04367	2.4
241.05132	5.3
257.04562	2.2
268.03781	2.0
269.04568	100.0
270.04913	5.3
285.03986	4.6
286.04559	2.1
287.05640	17.9
288.05939	1.4
311.05579	2.7
431.09589	1.5
473.10928	60.1
474.11224	3.7
491.12027	16.2
539.63855	1.2
576.29327	1.3
739.24640	2.4
753.74078	1.2
766.93927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38950	0.9
58.52930	1.0
59.01379	2.7
69.06161	5.2
69.06562	2.0
70.52847	0.9
71.01389	1.7
89.02449	1.3
98.21965	2.6
101.02498	1.3
107.05013	2.9
117.03475	2.1
134.03755	9.3
135.04535	100.0
136.04837	3.5
145.02930	2.5
167.03506	3.8
173.02455	6.7
179.03510	78.1
180.03853	2.5
189.01939	10.9
209.04541	3.5
237.60797	1.1
246.06931	1.3
247.07710	4.3
256.73419	1.1
263.07074	1.2
269.06808	2.2
278.08395	1.2
279.06641	1.9
280.07388	1.8
281.08060	8.4
291.06631	18.4
292.06909	1.4
301.05350	5.2
309.07538	2.6
319.06143	29.7
320.06400	3.0
337.07217	18.4
338.07486	2.1
349.07114	1.8
351.81168	1.2
367.08221	9.4
371.09784	2.6
379.08035	1.5
382.81326	0.9
395.32114	1.1
422.87408	1.1
439.10379	36.7
440.10645	4.3
457.11429	5.5
487.12424	1.5
577.15607	63.8
578.16101	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	739.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83600	0.4
55.78680	0.4
59.01379	0.8
61.98845	0.9
71.01392	0.5
82.66522	0.5
83.05014	1.1
88.02193	0.4
89.03963	0.8
91.05536	0.9
98.22639	0.8
106.04269	0.6
107.05040	3.2
109.02964	0.4
109.98932	0.4
112.69225	0.4
117.03444	1.4
119.05033	0.9
133.02921	0.4
134.03751	9.7
135.04536	100.0
136.04869	3.1
145.02943	1.6
161.02448	0.6
163.04053	1.3
173.02452	3.1
179.03513	78.5
180.03777	2.2
189.01942	1.9
191.03522	0.7
217.01433	0.8
225.16095	0.9
263.07147	0.9
267.06586	0.8
269.04822	0.5
279.06604	0.6
280.07431	1.3
281.08258	7.5
286.85291	0.5
290.05872	0.6
291.06662	2.6
295.06094	0.8
304.32028	0.5
307.06067	0.6
309.07596	1.9
319.06116	20.4
320.06317	1.1
321.07666	0.6
337.07214	14.2
338.07532	0.7
349.07251	2.5
367.08170	8.0
368.08591	0.7
379.08310	1.2
397.09180	0.5
439.10434	4.2
457.11453	15.4
458.11575	1.1
470.52942	0.5
473.80722	0.4
487.12463	3.1
577.15649	54.3
578.16205	4.8
619.14374	0.9
649.15314	0.5
677.50336	0.7
678.49969	7.2
679.50159	2.0
705.95313	0.5
739.18860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75294	2.2
56.45379	2.5
59.01386	11.8
63.02390	3.2
64.85234	1.9
65.00320	4.0
71.01389	14.6
71.39764	2.4
75.00903	3.0
79.21771	2.1
83.01388	5.0
85.02955	18.8
87.00864	2.7
89.02442	2.7
95.01396	6.8
96.96005	16.2
99.00885	8.5
103.00361	3.5
107.01380	5.6
111.00892	3.2
113.01714	4.5
113.02456	51.6
132.92572	2.2
139.00354	3.5
139.66010	2.2
147.04466	3.4
151.00424	5.3
171.04485	2.2
175.02525	24.5
213.05482	10.8
255.06659	100.0
256.06836	5.1
269.04556	4.2
285.04120	3.1
361.31802	2.3
431.09705	15.5
469.88672	2.8
474.92383	2.2
695.35358	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	739.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38950	0.9
58.52930	1.0
59.01379	2.7
69.06161	5.2
69.06562	2.0
70.52847	0.9
71.01389	1.7
89.02449	1.3
98.21965	2.6
101.02498	1.3
107.05013	2.9
117.03475	2.1
134.03755	9.3
135.04535	100.0
136.04837	3.5
145.02930	2.5
167.03506	3.8
173.02455	6.7
179.03510	78.1
180.03853	2.5
189.01939	10.9
209.04541	3.5
237.60797	1.1
246.06931	1.3
247.07710	4.3
256.73419	1.1
263.07074	1.2
269.06808	2.2
278.08395	1.2
279.06641	1.9
280.07388	1.8
281.08060	8.4
291.06631	18.4
292.06909	1.4
301.05350	5.2
309.07538	2.6
319.06143	29.7
320.06400	3.0
337.07217	18.4
338.07486	2.1
349.07114	1.8
351.81168	1.2
367.08221	9.4
371.09784	2.6
379.08035	1.5
382.81326	0.9
395.32114	1.1
422.87408	1.1
439.10379	36.7
440.10645	4.3
457.11429	5.5
487.12424	1.5
577.15607	63.8
578.16101	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	739.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65094	0.7
57.59869	0.6
59.01381	2.4
69.13712	4.4
71.01392	2.4
72.36445	0.7
73.69833	0.7
79.01914	0.9
79.95744	3.0
83.01391	1.0
89.02459	0.9
95.01399	1.0
96.96033	2.6
99.00883	1.3
101.02446	0.7
111.00909	1.7
113.02451	1.1
119.05029	4.0
121.02968	1.1
135.04541	1.6
139.00346	2.5
140.75983	0.8
141.01981	4.1
145.03030	3.8
147.04486	1.2
149.02444	1.6
157.06702	0.8
159.04584	0.8
161.02435	2.5
163.04025	3.9
175.04021	1.7
179.03595	0.7
181.06532	0.8
189.01869	1.1
189.48891	0.7
191.03497	2.5
192.99663	2.3
203.03479	1.6
208.08896	1.3
209.09793	0.8
215.03430	0.9
221.04462	1.4
222.06978	0.9
222.41243	0.7
235.07661	0.7
236.97836	3.0
237.05522	0.8
237.09253	1.8
251.07327	1.3
252.07991	2.1
265.05020	1.0
267.06583	5.1
279.06744	5.1
280.07516	6.1
281.08209	36.8
282.08539	1.8
291.06589	2.6
293.08170	3.1
295.06131	5.3
307.06116	4.8
308.06940	3.2
309.07736	15.4
310.08121	1.1
312.06393	2.4
319.06076	3.1
321.07718	3.7
335.02292	4.6
335.05661	1.3
337.07193	71.5
338.07410	3.9
339.08698	1.7
340.05710	1.2
349.07239	7.6
367.08267	37.4
368.08441	1.9
379.08459	3.9
395.00656	1.4
397.09222	2.6
421.09067	1.1
438.19904	0.8
457.05243	1.4
457.11447	19.2
458.11453	1.0
476.93124	0.8
487.12421	6.7
511.05588	2.0
541.13312	1.2
619.16333	2.0
739.20984	100.0
740.21216	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	739.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89879	0.9
59.01373	1.3
70.14682	1.2
70.15009	2.0
71.01390	1.8
79.01891	1.7
91.05538	1.2
96.96021	6.1
98.04470	0.8
119.05025	4.0
121.03033	1.3
123.17324	0.8
135.04550	3.0
139.00360	1.5
145.02988	4.4
149.02402	1.6
157.06660	0.9
159.04514	1.1
161.02438	2.0
163.04036	3.1
175.04013	2.6
179.03409	1.0
181.06540	1.0
186.27969	0.9
189.01956	1.2
191.03549	2.2
192.99646	2.7
203.03496	3.0
208.08998	1.7
235.07773	1.4
237.09122	2.4
248.62642	0.8
251.07196	1.6
252.07941	2.7
267.06693	5.0
275.09344	0.8
279.06622	5.0
280.07465	5.4
281.08212	38.5
282.08557	1.4
291.06589	3.8
293.08344	4.1
295.06100	3.6
307.06021	4.4
308.06912	1.4
309.07770	13.8
312.06308	2.2
319.06058	2.4
321.07712	4.0
335.02200	2.3
337.07208	66.6
338.07440	4.1
340.05869	1.6
349.07129	6.0
363.92944	1.1
367.08234	34.6
368.08560	1.5
379.08167	4.9
381.09753	1.0
397.09232	1.8
409.09128	1.8
454.83804	1.1
457.11383	12.2
526.25549	0.9
578.04865	0.9
616.53027	0.9
619.17041	4.6
619.25317	0.9
639.00366	0.9
649.17596	2.3
721.20447	1.2
739.20972	100.0
740.21259	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	739.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45632	0.6
57.82864	0.7
59.01381	1.0
59.59751	0.7
79.44479	0.7
85.48370	0.7
89.04007	0.7
93.03532	1.0
96.95996	1.0
98.22771	1.4
105.03461	1.0
113.06728	0.6
117.03465	3.3
119.05026	2.4
121.02981	1.3
132.02205	4.4
133.02989	7.6
134.03757	52.9
135.04553	14.5
136.01688	1.8
137.02470	3.6
147.04506	1.8
148.05327	0.9
149.02467	0.9
149.06084	5.2
151.04004	1.8
160.01660	11.8
161.02475	7.5
162.03163	1.0
175.04013	7.9
178.02707	4.0
179.02026	1.2
179.03523	13.0
190.06345	0.8
193.05080	24.0
207.06610	1.3
225.38570	0.8
283.09552	0.7
520.17908	1.7
535.19769	100.0
536.20026	7.5
739.25854	11.6
740.26178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15676	0.4
58.46441	0.4
59.01379	0.7
60.26661	0.5
65.00330	24.7
66.00665	1.4
76.97777	0.5
81.03455	0.5
85.53255	0.4
92.99832	4.4
96.99317	5.0
98.22646	1.8
100.72366	0.4
108.99333	1.3
111.00893	1.2
119.05035	0.7
120.99335	2.7
124.01682	1.3
136.98817	21.9
137.99167	1.7
149.99588	0.8
152.01143	0.9
164.98303	46.7
165.98671	1.1
166.01358	0.6
169.06659	1.0
171.04593	1.0
173.06140	2.3
177.99072	2.0
182.66353	0.4
197.06100	1.9
198.03409	0.5
199.04001	4.2
199.53482	0.4
200.04314	0.5
201.01952	0.5
213.05563	1.5
224.55032	0.5
225.05617	1.2
227.03520	1.9
241.05096	7.1
242.02187	1.4
242.05453	3.9
243.03244	0.6
243.06544	4.3
269.04568	100.0
270.04935	4.6
273.62286	0.5
285.04114	2.4
286.04440	1.6
286.07043	0.8
287.05618	57.2
288.05920	2.4
335.05670	1.1
339.60483	0.5
347.61975	0.5
451.47400	0.5
455.09625	2.7
456.10483	0.6
575.14337	2.3
728.38910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01131	1.1
59.01383	7.6
61.98840	1.9
68.18538	1.1
69.44109	1.7
69.44521	4.8
71.01386	5.9
71.05031	2.3
73.02943	1.7
83.04996	1.0
87.00861	2.1
89.02456	2.4
97.02971	2.7
97.06633	2.2
98.21906	1.4
99.00894	10.5
101.02444	3.4
110.03759	1.5
113.02465	2.4
123.08165	1.3
125.09753	5.7
145.05070	1.2
161.04617	1.4
163.11308	5.7
171.10286	7.1
181.12376	10.0
190.06604	1.0
199.13399	9.7
207.10271	22.7
225.11343	39.3
235.08270	3.3
243.12311	6.5
253.09344	4.1
277.21759	67.5
278.22043	3.0
279.23230	2.2
342.34848	1.5
443.19000	1.6
461.20416	4.0
479.21820	2.1
721.42413	5.9
739.42841	100.0
740.43365	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	740.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01730	0.7
61.98837	1.3
66.20513	0.7
76.40450	0.7
81.57282	0.7
90.57001	0.6
111.01484	0.7
119.05145	1.3
122.01624	1.7
122.02493	29.9
123.02846	0.8
143.66652	0.7
162.06866	2.4
177.09244	1.6
193.24246	0.9
209.11711	0.9
412.88019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.4
61.98837	100.0
63.43071	0.4
69.76517	0.9
98.22592	0.6
112.14352	0.3
168.50040	0.3
211.13383	0.5
283.08014	0.4
387.06039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97770	0.3
53.31959	0.3
61.98835	100.0
88.51534	0.4
115.29797	0.3
117.90193	0.3
126.54238	0.3
128.22867	0.3
174.53870	0.3
200.78139	0.3
269.04669	1.1
433.32919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54797	0.1
59.01379	0.3
61.98837	100.0
83.05016	0.3
111.79974	0.1
124.87856	0.1
126.24862	0.1
151.75066	0.1
169.80252	0.1
199.14824	0.1
224.27391	0.2
226.16486	0.1
326.77945	0.2
331.12143	0.3
375.14478	1.5
416.85083	0.2
427.95700	0.2
537.19788	3.3
537.27625	0.2
559.55164	0.2
678.50641	0.2
679.50342	1.5
680.50433	1.8
740.27954	0.2
740.49432	1.4
741.26434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
60.33416	0.8
61.16670	0.7
61.98833	2.4
69.14264	1.3
69.14666	3.8
73.40887	0.9
77.03965	2.7
86.55795	0.9
94.22018	0.8
101.55234	0.8
121.02972	100.0
122.03332	1.9
149.09694	0.9
164.53757	0.8
165.01949	68.6
169.92215	0.8
181.06609	2.7
191.03510	1.7
225.05560	2.2
313.07281	2.0
357.06213	12.0
425.55865	0.9
741.14264	4.0
753.04669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83335	0.7
59.01377	3.0
69.16627	1.0
69.17029	4.3
73.02950	2.6
74.82156	0.8
101.02446	1.4
145.02991	1.9
147.04543	1.4
158.03741	2.6
159.04568	1.6
161.02492	1.5
162.03290	1.9
163.04007	3.8
169.03000	1.6
171.04623	1.0
173.02457	6.9
174.03220	3.4
175.04004	0.8
182.03711	2.4
183.04570	2.4
184.01778	0.8
185.02477	5.1
186.03258	6.7
187.04030	6.7
189.01955	6.6
190.02736	39.7
191.03520	100.0
192.03847	5.0
197.02472	2.7
198.03258	4.3
199.04015	3.4
203.03513	2.3
210.03310	4.0
211.04007	10.1
212.01163	3.0
212.04651	0.9
213.01950	25.3
213.05267	1.4
214.02715	21.9
215.03510	75.2
216.03860	2.4
217.01295	1.1
217.05258	0.8
225.05652	1.1
226.02667	3.8
227.03543	10.8
228.04262	2.9
229.01440	1.7
229.05051	3.1
230.02222	2.3
231.03058	5.1
232.03748	4.1
233.04564	23.1
234.04979	1.1
237.01910	0.9
238.02725	6.4
239.03514	16.9
240.04175	2.2
241.01456	3.9
241.05045	1.3
242.02263	2.8
243.03029	3.3
254.02278	4.2
255.03020	11.5
256.03735	6.7
257.04572	15.9
258.01669	4.2
259.02444	4.8
265.01523	1.4
269.04559	8.4
275.05609	2.3
281.01132	1.0
282.01724	5.8
283.02502	17.4
284.03159	1.2
285.04062	1.1
297.04028	4.1
299.02225	1.7
299.05347	1.2
300.02722	2.8
301.03540	6.7
314.04364	10.1
315.05121	19.2
333.06274	3.8
395.09851	76.9
396.10260	5.8
419.09915	19.5
420.10446	1.8
437.10873	12.6
461.10968	10.8
462.11551	1.3
463.08926	2.9
479.11719	1.4
487.08966	4.8
503.12222	1.0
505.09955	40.0
506.10425	3.3
513.16638	0.8
519.11444	34.4
520.11847	3.5
529.09949	1.4
537.12567	22.5
538.12903	2.9
579.97784	0.9
641.17206	2.7
709.16150	2.9
741.18622	1.8
764.14465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.9
60.09462	1.2
71.01389	1.6
73.02953	2.8
78.69259	1.2
78.95916	1.4
101.02470	1.6
108.02218	2.0
109.02965	9.7
121.02966	1.3
121.06701	1.1
125.60026	1.1
131.01363	1.0
132.02184	9.7
133.02971	31.4
134.03763	1.7
135.04530	2.8
145.02995	3.1
147.04590	1.2
151.04005	2.4
152.99695	1.6
157.02985	1.4
158.03806	1.7
159.04510	2.4
161.02415	2.4
162.03238	2.0
163.04019	3.9
169.02971	1.4
173.02473	4.6
173.06071	1.4
174.03235	3.3
175.00352	2.8
175.04027	6.1
177.01912	1.6
182.03720	1.1
183.04478	3.0
185.02435	2.5
186.03191	4.3
187.03972	4.0
189.01949	4.8
189.05527	1.5
190.02745	22.7
191.03517	64.9
191.07120	3.4
193.08678	1.3
197.02397	2.7
198.03203	3.3
199.04048	2.4
201.01961	2.0
203.03557	3.2
205.05130	1.4
209.04434	1.4
210.03203	1.7
211.04005	6.1
212.01199	1.4
213.01936	16.8
214.02710	13.8
215.03522	48.2
216.04115	1.8
217.05115	5.5
225.05655	2.2
226.02684	2.4
227.03516	12.0
228.04152	1.7
229.05019	4.1
231.02989	2.9
232.03712	2.3
233.04526	13.9
238.02699	3.6
239.03502	10.3
240.04320	5.5
241.01430	2.5
241.05025	2.1
243.03000	1.9
253.05020	1.7
253.08705	1.4
254.02263	2.4
255.02980	9.2
256.03720	4.6
257.04572	12.8
257.07175	1.9
258.01782	1.6
259.02515	4.1
268.03809	19.4
269.04562	39.9
270.05099	2.1
273.04175	1.4
275.05402	1.6
279.03073	1.3
281.04590	1.8
281.08151	2.5
282.01752	3.0
283.02484	9.9
284.03314	2.1
297.04080	3.7
297.07599	4.8
299.05450	3.5
299.09052	2.4
300.02658	1.6
301.03479	4.3
301.11008	1.4
308.07092	1.9
309.07605	4.4
314.04300	4.9
315.05096	12.5
325.10696	1.7
326.07974	5.8
327.08685	6.7
333.06122	2.1
341.10281	5.6
342.11111	6.0
353.10220	3.3
369.09827	37.2
369.14481	1.9
370.10593	35.1
371.11374	100.0
372.11667	4.2
395.04691	2.6
395.09836	53.4
396.10080	1.9
419.10004	11.2
437.11029	6.3
460.11716	1.3
461.11050	6.9
463.09091	1.8
479.11392	1.3
487.08911	3.0
505.09918	24.5
508.81894	1.2
513.27661	1.3
519.11487	20.8
537.12653	14.9
709.15997	2.2
741.21454	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	741.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.98838	2.7
67.83147	0.5
69.66314	0.5
70.05517	1.6
70.40403	0.5
71.01387	1.2
73.02962	0.5
75.28809	0.6
87.16845	0.6
88.98820	0.8
95.01390	0.6
95.11867	0.5
103.96559	0.5
113.02507	0.5
118.96385	0.6
119.01397	1.6
121.02968	1.0
122.03743	0.8
133.02945	1.0
134.03766	4.1
135.04558	0.7
147.00975	0.8
149.02449	4.3
150.03244	7.0
161.02435	1.9
162.03244	100.0
163.03650	4.3
164.04793	4.2
165.05576	5.7
167.03577	0.8
175.00371	8.2
175.03957	1.0
177.05591	99.8
178.05949	4.1
179.07216	1.1
190.02750	17.5
195.06645	1.3
205.05061	20.2
206.05406	0.6
208.03828	0.6
223.06111	4.1
285.04166	0.7
367.10382	25.3
368.10468	1.0
563.17706	15.3
563.26508	0.7
564.18024	1.2
741.23792	4.8
742.24164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.8
59.01384	23.8
61.98832	0.6
62.15465	0.6
71.01391	10.2
73.02950	1.1
76.41103	0.7
83.01402	2.0
85.02942	2.4
89.02460	7.0
95.01393	0.7
98.21821	1.7
101.02447	4.1
101.78677	0.7
103.00411	1.5
107.05048	0.7
108.02193	22.7
113.02457	3.8
119.03507	2.6
123.04543	11.4
125.02412	0.8
133.03061	0.7
144.00525	0.6
152.01178	50.5
153.01924	1.1
161.04579	0.9
161.13374	3.2
167.03519	100.0
168.03857	1.7
179.05605	2.4
187.11278	6.7
191.03593	1.8
205.12317	4.0
209.04582	0.8
229.12337	1.0
229.56967	0.6
249.11401	1.8
269.04614	1.0
273.11050	0.7
310.32025	0.8
315.12354	1.7
333.13596	0.9
375.14447	2.2
393.15527	5.1
411.16434	0.7
434.67780	0.7
439.10352	1.5
457.11273	0.7
517.20990	2.1
526.15314	0.6
537.20245	3.2
561.19794	9.7
573.21887	4.2
685.71924	0.7
741.26129	19.7
742.26520	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	741.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.8
59.01384	23.8
61.98832	0.6
62.15465	0.6
71.01391	10.2
73.02950	1.1
76.41103	0.7
83.01402	2.0
85.02942	2.4
89.02460	7.0
95.01393	0.7
98.21821	1.7
101.02447	4.1
101.78677	0.7
103.00411	1.5
107.05048	0.7
108.02193	22.7
113.02457	3.8
119.03507	2.6
123.04543	11.4
125.02412	0.8
133.03061	0.7
144.00525	0.6
152.01178	50.5
153.01924	1.1
161.04579	0.9
161.13374	3.2
167.03519	100.0
168.03857	1.7
179.05605	2.4
187.11278	6.7
191.03593	1.8
205.12317	4.0
209.04582	0.8
229.12337	1.0
229.56967	0.6
249.11401	1.8
269.04614	1.0
273.11050	0.7
310.32025	0.8
315.12354	1.7
333.13596	0.9
375.14447	2.2
393.15527	5.1
411.16434	0.7
434.67780	0.7
439.10352	1.5
457.11273	0.7
517.20990	2.1
526.15314	0.6
537.20245	3.2
561.19794	9.7
573.21887	4.2
685.71924	0.7
741.26129	19.7
742.26520	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	741.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40576	1.4
59.01389	7.9
61.98828	1.7
70.44675	1.8
70.45020	1.7
71.01405	1.8
74.41208	1.3
75.05164	1.3
86.00080	1.2
91.62436	1.2
97.47993	1.2
101.02472	1.4
110.23503	1.2
115.85030	1.2
119.05061	2.0
134.03775	2.7
135.04549	1.5
136.05197	1.3
160.01675	1.6
165.09238	1.8
168.64342	1.2
174.68068	1.3
204.75987	1.4
229.12361	4.4
271.17026	4.6
285.18546	4.9
287.20169	7.2
312.35544	1.6
313.18060	6.5
331.19165	100.0
332.19501	7.3
361.58038	1.7
373.20331	6.2
475.23615	2.1
493.17136	2.6
493.24475	52.9
494.24939	4.1
535.25610	22.5
536.25885	2.0
537.21442	5.7
665.09515	1.4
697.30670	75.5
698.30969	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	741.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	1.9
61.98830	4.3
68.84071	1.5
70.37463	3.9
73.67120	1.8
86.97800	1.4
89.32755	1.7
111.04565	1.8
112.96697	1.5
113.02382	1.4
117.03464	2.3
118.99912	1.5
119.05040	3.4
119.05861	1.5
121.06587	4.1
126.68428	1.6
127.27012	1.6
135.04524	3.9
136.04327	3.1
136.05319	45.2
136.06355	2.4
137.02524	1.6
139.11270	1.7
148.05330	1.7
149.06137	5.5
150.06866	10.3
157.12329	2.1
163.07582	1.9
164.08360	3.3
165.09227	57.4
166.09517	2.6
171.78609	1.7
185.11887	7.5
262.35330	1.7
269.04474	2.8
291.19644	2.5
327.21826	27.5
328.21884	2.7
412.03854	1.7
439.45917	1.8
475.30780	8.9
492.30716	3.5
493.31757	34.7
494.32010	5.2
507.33661	2.4
655.37292	2.0
697.38104	100.0
698.38477	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	741.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
56.85754	0.6
58.00608	0.6
59.01384	6.2
61.98833	3.4
69.18561	3.6
71.01388	4.3
73.02947	1.4
80.02682	0.6
81.03480	0.7
82.03693	0.6
83.05032	3.2
84.02155	0.7
85.02950	0.9
87.00900	1.0
89.02464	3.1
99.00905	1.4
101.02453	3.8
113.02454	1.9
119.03651	0.6
125.09736	1.7
126.10056	0.6
127.11320	2.0
145.05086	1.0
155.10782	0.9
161.04643	1.8
163.11282	3.2
165.09322	0.6
165.12892	1.6
171.10300	1.8
172.10606	0.6
177.69417	0.7
181.12302	1.3
188.44418	0.6
191.10843	0.6
201.11340	35.9
202.11714	1.7
202.79320	0.6
207.10234	1.0
208.10677	0.7
209.11852	79.0
210.12196	2.7
225.11337	1.7
226.11696	1.0
227.12941	10.1
235.08244	7.9
243.12439	0.9
244.12611	0.8
253.09326	14.5
277.21750	100.0
278.22137	7.3
279.22473	0.7
287.45056	0.6
311.16568	1.0
325.18567	1.7
331.56799	0.6
419.19531	0.6
437.20358	1.6
445.20886	1.1
550.60406	0.6
728.02008	0.6
741.43262	6.9
742.43982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
59.01385	100.0
60.99247	0.7
61.00442	7.6
61.54855	0.8
69.03452	1.2
70.48816	0.8
71.01388	24.8
71.41663	1.1
73.02954	81.5
78.11329	0.9
78.95901	1.0
82.01730	3.4
82.99789	0.9
83.01398	15.8
85.02956	4.0
87.00880	0.9
89.02452	8.4
95.01405	1.5
96.96021	1.0
101.02455	49.8
113.02458	15.9
117.03482	2.4
119.03521	4.9
125.02380	1.6
128.33669	0.8
131.03514	6.4
143.03499	6.3
149.04555	10.1
155.03539	1.3
161.04579	15.5
166.02866	0.9
173.02480	2.1
181.05040	1.0
189.01967	1.0
190.02721	1.9
191.03461	3.9
192.03894	1.2
203.05669	1.8
205.02777	1.3
213.01932	1.7
215.03343	4.4
216.03874	1.6
221.06703	4.8
223.03934	3.2
239.03526	1.1
252.02824	1.1
270.03995	34.3
271.04233	1.2
285.04044	2.1
307.06351	1.0
335.05658	6.4
371.11411	0.9
395.09875	2.0
396.10150	2.0
418.15866	1.3
455.09839	14.0
575.14111	11.2
643.92731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79420	0.3
58.25262	0.3
61.98829	0.5
65.00328	3.4
66.53307	0.3
68.99810	0.4
69.48461	1.8
69.91441	0.3
82.00612	0.5
82.80569	0.4
86.10855	0.3
92.99841	0.5
95.01389	1.1
96.99334	1.2
108.02199	0.6
110.00117	3.3
111.00883	3.8
123.00892	1.3
124.01669	8.3
135.00816	0.4
136.01686	2.1
136.98820	3.9
137.99576	0.8
139.00394	6.3
152.01149	6.2
155.58917	0.3
157.06570	1.0
163.00417	0.6
164.98315	3.9
165.07082	0.5
165.99103	2.7
166.99867	2.7
169.06656	0.5
171.08205	1.0
173.06116	2.0
180.00615	0.7
181.06627	0.6
185.06102	1.1
193.01425	0.9
197.06079	0.8
199.07683	1.2
201.05605	0.6
209.06113	0.9
225.05551	3.6
226.05772	0.3
227.07195	2.0
229.05014	0.7
231.60899	0.4
241.05125	0.6
243.06630	26.1
244.06955	1.5
253.05063	5.5
267.06573	1.0
269.04559	8.4
270.05319	4.9
271.06131	100.0
272.06354	3.4
295.06067	0.6
302.86758	0.4
471.10907	1.7
473.12836	0.5
535.36011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.2
60.47043	0.4
65.00336	2.4
71.01397	1.4
71.41264	0.7
81.03474	1.5
82.74150	0.5
83.01404	1.1
85.02962	1.2
91.01915	2.2
93.03480	2.6
95.01405	0.6
95.05058	1.6
96.96041	0.9
97.02995	1.0
99.00904	0.6
108.02179	1.5
113.02505	1.5
117.03478	19.8
117.04281	1.2
118.03786	0.9
123.04555	4.4
125.02481	2.2
131.05051	0.6
135.04543	0.7
136.98788	1.0
137.02521	0.7
139.00336	0.7
145.02983	1.8
148.59610	0.6
161.02449	3.8
163.04062	1.8
164.98299	1.0
167.03516	8.9
169.24069	0.8
171.04521	1.1
173.02469	10.4
173.06114	1.0
177.05611	1.4
185.02466	3.0
186.03143	0.6
187.04080	4.1
188.01276	0.6
189.01979	5.5
191.03539	1.4
197.02484	2.7
197.04416	0.5
213.09125	0.6
215.03539	7.2
217.01402	4.7
227.03519	0.6
227.10672	0.6
235.07805	0.7
241.01463	1.8
241.05110	0.8
257.04623	0.6
257.08063	0.8
263.07123	1.7
269.04807	0.9
269.08133	1.3
277.04898	0.6
279.06610	0.8
293.04642	2.4
299.09305	12.3
303.09866	0.6
305.04562	7.9
306.05368	9.1
307.06100	10.7
317.04489	0.7
323.05737	0.9
323.09274	1.6
329.10431	1.0
335.05630	80.4
336.06033	6.3
337.72403	0.6
341.10214	0.8
365.06680	1.9
377.16083	2.3
395.07733	1.0
405.09824	1.7
455.09866	84.4
456.10190	8.1
461.14560	15.5
464.38467	0.6
491.15421	1.0
503.15982	1.0
563.17664	1.9
567.06787	0.4
567.15112	12.2
568.15826	1.0
575.14081	100.0
576.14447	10.9
581.18439	1.8
593.15222	0.9
743.18402	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	743.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
63.26750	0.3
65.00331	0.4
67.01892	1.8
68.99823	0.3
85.02918	0.3
95.01411	1.0
103.04881	0.3
107.01363	0.4
108.02177	11.3
108.53584	0.3
109.03011	0.5
110.00135	0.6
113.02460	0.3
117.03493	0.3
119.01389	0.4
123.00905	0.5
123.04532	4.4
127.05560	0.5
135.00932	0.5
136.98882	0.3
141.01973	0.4
141.07129	0.4
144.96246	0.3
149.02425	0.3
152.01163	13.3
153.01889	0.5
153.07144	0.6
155.04985	0.5
160.01625	0.5
163.00389	1.8
165.01942	0.4
165.99101	0.6
166.02817	0.3
167.03508	19.5
169.06577	2.6
171.04529	4.9
173.06099	1.1
175.03984	0.5
181.06554	0.9
183.04558	0.7
184.05292	0.5
185.06131	0.3
195.04521	0.8
196.05234	0.4
197.06090	7.2
198.03288	0.3
198.06314	0.4
199.03989	1.3
201.05609	0.5
207.04533	0.3
213.05617	2.1
223.04073	0.7
224.04732	1.0
225.05640	3.8
239.03485	1.1
240.04254	0.9
241.05107	2.6
245.08156	0.3
267.03027	1.3
268.03790	7.8
269.04553	100.0
270.04910	5.4
270.07779	0.5
281.04730	0.4
327.08789	0.3
329.08701	0.5
333.20676	0.6
377.16055	2.2
413.08862	0.5
431.09891	0.5
445.58929	0.4
539.21301	3.7
581.13074	8.1
582.13391	0.7
743.18268	32.4
744.18591	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	743.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80643	0.8
59.01383	2.0
65.00315	1.0
71.01378	1.8
72.09893	0.8
79.95705	1.0
86.92576	0.8
91.01890	1.5
93.03466	3.0
96.95973	1.3
117.03481	18.0
123.04534	3.4
135.04547	0.9
145.02972	1.4
145.33817	0.8
161.02428	2.8
163.04050	1.1
166.84949	0.9
167.03499	4.0
171.04668	0.9
173.02449	10.1
185.02443	2.0
187.03989	3.7
189.01996	4.0
197.02499	2.0
208.28270	1.0
215.03458	5.6
217.01457	3.5
241.01462	2.1
255.06512	1.7
263.07053	1.3
279.06989	0.9
299.09216	3.0
305.04544	6.7
306.05353	7.3
307.06137	11.1
319.06140	5.6
323.05624	1.1
335.05621	72.2
336.06000	4.8
365.06647	1.7
377.15860	1.9
395.07474	2.1
424.82654	0.9
439.10297	3.1
440.10452	1.2
455.09872	89.8
456.10251	6.0
461.14661	4.1
539.21564	1.2
575.14093	100.0
576.14526	8.6
743.19043	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08877	2.5
55.44485	2.9
58.26691	2.1
59.01373	9.0
65.00322	2.7
70.13615	6.6
71.01380	5.3
81.03457	6.6
82.37472	2.4
83.01368	4.1
95.05025	2.9
96.96013	5.5
97.02965	4.1
101.02465	4.5
109.02934	5.1
113.02421	5.2
114.21829	2.3
121.02981	4.3
123.04522	6.0
125.02464	8.3
134.03761	4.7
135.04553	21.7
137.02440	6.2
137.06133	2.8
139.04060	2.8
147.04556	5.3
149.02437	8.5
149.06085	5.2
161.02441	7.4
162.03273	4.6
163.04036	12.4
164.98450	3.5
167.03516	19.9
171.04565	2.8
173.02434	2.4
173.06065	15.5
175.03976	2.9
179.03531	7.9
189.01964	8.5
190.02740	5.0
191.03552	21.9
204.04280	7.1
205.05186	3.1
209.04575	18.8
213.09247	5.2
214.02852	5.7
227.10802	2.5
229.08656	3.6
239.05644	7.7
239.10822	2.8
257.08289	9.1
263.07135	3.2
269.04443	4.7
277.08759	5.2
281.08084	12.1
283.02451	3.2
293.08102	4.1
295.09821	7.3
296.07114	3.1
299.09247	19.3
311.05655	2.9
311.09253	8.3
319.06125	7.1
323.09256	100.0
324.09613	8.8
329.10294	6.5
337.10754	5.7
341.10318	76.7
342.10730	5.2
353.10281	30.7
365.10291	26.6
371.11334	55.5
372.11584	4.6
383.11200	4.4
395.11319	8.1
401.12573	20.5
439.10211	7.3
443.07474	4.4
443.13483	53.9
444.14001	3.7
461.14597	78.6
462.14853	8.0
473.14465	12.1
491.15488	13.0
503.13785	3.1
563.17609	11.6
581.18707	18.9
582.18848	4.0
623.17816	21.1
624.18311	4.4
635.17706	2.6
635.75262	2.5
653.19031	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	743.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96180	0.8
57.03458	0.9
58.00593	1.1
59.01385	100.0
61.98830	1.8
68.95805	0.7
70.17435	1.6
70.17769	0.8
71.01389	55.2
72.01740	1.1
72.99319	1.6
73.02943	1.4
83.01419	2.1
85.02960	8.5
87.00917	2.8
88.52247	0.9
89.02454	66.0
90.02843	0.9
93.03483	1.1
95.01408	3.9
96.67363	0.6
96.96062	1.3
97.12531	0.7
101.02456	30.2
113.02468	21.1
119.03524	25.3
119.04327	1.6
119.04965	1.1
121.03024	0.8
122.03757	3.5
123.04491	1.1
127.46832	0.7
131.03564	2.4
143.03482	4.9
149.02480	5.3
149.04582	1.9
149.05809	0.8
150.03247	19.0
160.01685	1.9
161.04625	3.3
162.03244	5.4
163.03833	0.9
164.04857	0.7
165.05594	17.7
166.05968	1.4
167.03470	0.9
175.03961	4.3
175.24420	0.6
177.05579	4.8
178.05931	0.9
179.03629	0.9
179.04176	1.0
179.05666	7.9
180.04381	1.3
183.46336	0.8
190.02806	1.4
190.06458	1.0
193.05260	0.8
195.06653	13.6
195.08273	1.4
205.01082	0.8
209.04575	0.9
222.05307	0.8
223.06203	1.3
238.06360	1.2
266.05966	1.8
278.05975	2.9
285.04013	0.8
294.05399	1.7
306.05579	2.0
307.06207	2.3
309.07730	6.8
321.07770	6.1
325.07199	2.0
335.22330	0.9
336.10251	2.5
337.07050	15.3
338.07898	2.4
339.08859	1.1
340.09576	1.2
341.09982	0.8
352.09521	8.0
353.10028	1.3
355.12109	3.1
367.11896	43.3
368.12384	3.3
515.17035	6.7
563.19598	1.0
743.24634	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	743.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01128	0.5
59.01387	5.5
67.01905	1.0
80.75937	0.4
96.96025	2.4
106.30920	0.5
113.02468	0.5
115.04063	0.5
117.03435	0.7
119.05016	1.9
120.04559	2.7
120.05251	0.4
121.05328	1.9
122.06140	6.3
133.02954	0.6
134.03766	1.0
134.06137	3.6
135.04533	1.3
135.06903	1.3
136.07698	11.9
161.02478	0.6
161.07246	0.5
171.11810	2.5
175.03947	0.6
190.05125	1.5
198.09311	1.3
199.10016	2.0
209.11800	0.5
214.07512	0.6
214.12411	11.0
215.12587	0.6
226.07660	0.5
227.08344	1.8
228.09068	1.1
229.09828	3.7
230.11891	4.6
241.09859	5.7
242.10632	16.0
243.10840	0.7
257.12985	85.5
258.13333	3.8
301.11972	100.0
302.12338	4.2
337.12027	1.5
397.13995	4.9
412.78513	0.5
433.38367	0.5
442.18915	0.4
516.93237	0.5
743.29102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11861	0.4
58.77803	0.4
59.01392	2.4
71.01386	2.2
71.43423	0.4
73.02967	0.6
83.01395	0.6
85.02955	1.1
96.96023	0.5
99.00915	0.5
101.02460	0.9
103.93537	0.4
113.02483	0.8
116.92891	0.5
117.03480	29.1
118.03830	0.8
119.05045	10.3
132.28438	0.5
135.04568	1.2
142.06201	0.5
145.02971	100.0
146.03331	3.1
161.06163	0.5
163.04028	9.6
185.99855	0.6
209.11876	0.6
215.87358	0.5
229.13879	0.5
277.05399	3.6
302.66031	0.5
307.08258	8.1
435.20276	22.9
436.20651	1.6
544.21930	0.7
743.29254	30.3
744.29352	4.5
765.74658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78887	0.2
61.98823	0.4
63.45211	0.2
78.95902	0.4
79.95770	0.7
90.93475	0.2
119.04993	0.5
141.73370	0.2
152.99570	0.7
170.00450	0.6
183.01212	12.1
184.02016	1.4
197.02776	12.9
198.03548	4.7
211.04245	0.4
230.02502	1.3
239.07462	0.3
266.44476	0.2
277.21777	0.2
311.16873	100.0
312.17221	6.5
325.18207	0.3
335.98465	0.2
388.03635	0.2
419.21442	0.2
431.21790	0.2
446.14285	0.2
447.76303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.0
61.98850	0.6
69.13056	2.3
71.01389	1.1
76.56931	0.4
85.02961	0.9
88.65543	0.4
89.02489	0.8
91.21269	0.4
93.03494	1.4
101.02435	0.6
109.02957	0.4
113.02468	0.7
117.03477	4.4
118.03825	0.5
119.05044	1.3
128.25932	0.4
145.02985	3.6
147.00972	0.4
149.02492	0.5
150.03290	0.8
151.00371	0.4
159.04539	0.6
161.02466	1.8
162.03267	1.9
163.04022	0.9
165.05620	0.6
173.02452	1.6
177.01889	0.6
177.05614	2.0
185.02455	0.8
187.00311	0.6
187.03972	0.8
189.01962	3.4
190.02676	0.4
201.02037	0.9
203.03494	0.8
213.02040	0.6
214.99847	1.2
215.03510	0.5
216.00598	2.0
217.01447	7.4
218.01793	0.5
229.01469	0.5
231.02975	0.9
235.07614	0.5
237.69794	0.5
241.01440	1.1
242.99460	1.0
243.02991	0.9
244.00139	3.1
245.00935	52.4
246.01320	1.6
249.05635	0.7
255.03098	0.6
257.00961	1.2
259.02457	1.7
259.99500	0.4
261.00510	0.9
261.05554	0.8
269.01035	1.0
270.98880	1.7
277.05026	0.6
283.02554	0.6
285.00488	1.3
285.03989	0.7
287.02014	13.1
288.02209	0.5
288.99850	0.8
289.05139	1.0
295.05984	0.5
305.04477	1.2
307.06186	0.9
308.74469	0.5
311.12286	0.4
312.99982	3.4
333.04086	1.1
335.05667	1.2
351.05063	2.8
361.03537	1.2
363.05115	1.9
379.04776	0.9
389.03015	4.5
406.03452	0.5
407.04132	18.2
408.04614	0.6
431.03986	0.7
449.05167	1.2
551.06403	0.9
569.07318	100.0
570.07623	7.2
745.11499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01384	2.3
59.65113	0.4
64.05630	0.3
65.00315	1.8
67.01881	0.6
68.99815	0.6
71.01395	2.1
73.02961	0.5
77.81960	0.4
81.03485	0.4
83.01401	1.1
85.02942	1.8
87.00877	0.4
88.98816	0.5
89.02460	0.4
95.00859	0.5
95.01385	3.1
96.96001	0.8
96.99298	0.7
97.02965	0.6
99.00893	3.5
107.01353	0.5
110.00102	0.4
111.00896	11.4
113.02453	1.3
121.02950	0.5
123.00898	3.7
125.02468	0.9
135.00909	0.7
136.98816	2.3
137.02452	2.7
139.00389	14.8
140.00935	0.5
141.01952	5.5
145.02922	0.6
147.00914	0.5
149.02420	0.8
151.00360	1.2
153.01955	0.6
164.98285	4.4
165.01872	1.6
165.99023	0.4
166.99873	3.7
167.03539	1.1
171.04547	1.2
183.04530	2.5
185.02460	0.8
187.04010	1.1
193.01390	0.6
197.02397	0.9
199.03979	3.1
201.02089	0.6
207.02943	0.5
209.00835	1.0
211.04039	2.3
213.01891	0.9
213.05493	0.6
214.02771	0.5
215.03465	1.1
216.04181	0.8
225.01862	1.4
226.02792	1.0
227.03526	1.9
229.01381	1.3
229.05060	0.6
231.03020	0.8
237.02010	0.7
238.02843	0.5
239.03474	3.3
241.01428	1.3
243.02945	1.8
253.01469	4.5
255.03023	11.2
256.03470	0.6
257.00769	0.9
257.04422	2.2
265.01389	0.9
269.00998	0.9
269.04587	2.3
271.02527	9.8
272.03000	0.7
279.03088	0.7
281.01010	3.4
282.01764	0.5
283.02521	11.2
297.00458	0.5
299.01987	7.0
300.09592	0.5
305.04611	1.3
319.02487	0.5
323.02069	0.5
333.03973	0.8
337.03665	0.7
349.03430	1.0
351.05319	0.7
355.04855	0.5
377.02850	5.0
377.06781	0.8
379.04434	0.7
383.05344	0.5
399.04996	0.6
401.06750	1.1
405.02499	4.3
415.32980	0.4
416.05447	0.9
417.06613	0.8
423.03601	9.2
427.04700	1.6
429.06216	1.0
461.14734	0.5
462.14987	0.9
463.15353	0.6
523.06049	0.5
551.06250	1.0
569.07300	100.0
570.07635	9.4
577.14667	0.7
640.21722	0.5
701.21124	1.4
745.10199	5.0
745.21039	0.7
746.10632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
61.98817	2.7
64.11282	0.9
69.20849	6.0
71.01382	2.3
85.02941	2.1
89.02432	1.7
93.03504	2.1
101.02418	1.2
109.02965	2.3
113.02501	1.4
117.03484	6.3
118.46818	1.0
119.05064	1.6
121.02951	1.4
122.03738	1.7
124.00021	0.9
133.02956	10.6
134.03291	2.2
135.04601	1.5
136.01686	2.0
139.07790	1.0
145.02975	3.9
149.02483	1.5
150.03236	11.3
151.00410	1.2
151.04012	4.1
161.02461	2.8
163.03972	1.4
164.04797	1.0
164.98296	1.2
165.05588	10.6
166.02716	1.7
173.02446	1.1
175.04051	2.9
181.05025	3.0
181.06604	1.2
187.04039	1.3
189.01956	2.2
195.06628	6.9
199.03973	1.2
209.11731	1.5
214.99910	1.5
216.00645	1.6
217.01425	7.9
231.02991	1.2
244.00122	3.6
245.00931	55.3
246.01363	2.4
255.02972	1.6
263.07458	1.4
269.00827	1.2
270.98871	2.1
283.09702	1.4
285.04126	1.3
287.02008	15.0
289.00107	1.3
312.99905	4.3
335.22372	3.1
351.05176	3.7
363.05051	2.0
371.11398	24.3
372.11777	23.2
373.11938	8.8
379.04730	1.6
387.14386	5.8
389.03021	4.2
407.04126	20.5
431.03873	1.3
449.05222	1.9
535.19751	7.2
539.28467	2.8
551.05884	1.7
569.07336	100.0
570.07526	8.2
583.22021	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	745.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
61.98824	0.5
64.66956	0.3
69.37269	1.8
71.01392	1.1
85.02962	0.9
87.06285	0.4
89.02456	0.7
93.03459	1.3
96.95975	0.4
98.21870	0.7
99.11087	0.4
101.02419	0.4
113.02445	0.9
117.03474	5.5
119.05044	0.9
133.02948	1.1
135.04489	0.5
143.05040	0.5
145.02982	3.7
149.02443	0.6
161.02455	2.8
162.03223	1.7
163.04082	0.8
165.05556	0.4
169.03062	0.4
171.04547	0.6
173.02458	1.4
177.01971	0.6
177.05589	2.2
178.99564	0.4
185.02333	0.5
187.00342	0.5
187.03981	1.1
189.01967	2.9
195.06703	0.4
199.41516	0.4
201.01929	0.8
203.03543	0.9
205.05177	0.6
213.01889	0.7
214.99860	1.0
215.03586	0.9
216.00656	1.9
217.01413	6.5
229.01430	0.5
231.02980	0.9
235.07635	0.4
241.01350	0.9
242.99435	1.1
243.02998	1.5
244.00125	3.7
245.00923	52.8
246.01187	2.0
255.03050	0.5
257.00958	1.5
259.02472	1.7
261.00424	1.7
261.05655	0.8
263.07092	0.5
269.00916	1.1
270.98938	1.7
277.05063	0.8
283.02481	0.5
285.00461	0.9
285.04004	0.8
287.01968	12.8
288.02335	0.9
288.99918	0.9
289.04941	0.5
305.04532	1.0
307.06097	1.7
309.04303	0.4
312.99878	3.5
314.00674	0.5
314.72424	0.4
319.06009	0.8
333.04233	0.9
335.05591	1.0
351.05124	2.7
352.06067	0.4
361.03540	1.1
363.05054	1.1
367.10303	0.7
379.04529	1.0
389.03027	3.8
407.04108	18.6
408.04456	1.2
431.04083	0.8
449.05322	1.0
551.06500	0.9
569.07294	100.0
570.07635	8.8
619.83966	0.4
745.10101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64817	0.9
63.99533	1.0
65.00310	1.0
68.99480	1.2
68.99825	9.6
71.01367	1.0
92.99820	5.2
98.21870	3.5
99.00887	49.8
113.02493	0.8
123.00893	49.1
161.02600	1.5
171.04529	3.0
194.99365	86.0
195.04405	2.0
195.99716	2.0
223.03946	1.0
229.17444	1.0
233.63281	1.0
257.04459	1.8
267.02991	5.3
269.04623	1.6
283.10074	1.3
285.04068	1.7
299.05606	100.0
300.05963	5.4
335.22107	1.1
338.97687	0.9
341.03387	1.1
677.04309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.3
63.02389	0.2
65.00320	1.3
69.05936	1.4
71.01385	0.7
75.00908	0.2
79.18089	0.2
80.05081	0.2
83.01402	0.8
85.02957	1.9
87.00897	0.3
88.98793	0.3
95.01418	0.6
96.96020	0.6
99.00890	0.4
103.00375	0.2
106.06638	0.6
107.01400	1.9
108.04575	0.3
113.02464	3.6
121.02969	0.4
122.06091	0.4
125.86124	0.2
132.02179	0.2
133.02962	11.3
134.03278	0.5
134.06151	2.7
136.07648	0.3
146.06110	0.3
149.02461	1.9
151.00383	5.0
152.07166	0.4
160.04082	0.2
163.00400	0.8
171.04507	0.5
174.05624	0.3
175.02504	1.6
175.04030	3.3
180.06693	0.6
184.05338	0.3
185.06230	0.4
188.07132	1.3
196.05310	0.3
197.02701	0.2
197.06146	0.2
198.03252	0.5
199.04054	1.9
201.01964	0.8
211.04018	0.3
211.08762	0.3
213.05551	0.6
215.03474	0.5
217.05064	1.6
223.04120	0.3
224.04785	0.2
225.10321	0.6
226.02943	0.3
227.11880	0.7
236.09560	0.2
239.03505	0.3
241.05080	1.2
243.03067	0.5
249.06659	0.2
252.09232	0.3
253.09872	0.8
255.03036	0.5
257.04434	0.3
265.09998	0.3
267.02948	0.6
267.11349	0.3
268.03796	7.6
269.04187	0.5
277.09756	0.4
279.11142	0.3
280.39078	0.2
283.02878	0.3
283.06140	5.8
284.03235	0.3
284.06509	0.4
285.04062	100.0
286.04401	5.6
286.07587	0.3
292.08459	0.3
293.09521	0.3
295.10822	2.4
305.09027	0.3
307.10886	1.6
321.12439	0.2
339.05087	0.5
355.13620	0.2
418.18237	0.2
442.17868	1.6
459.09329	0.8
460.18939	0.4
502.19861	3.3
518.19568	0.2
546.18854	10.9
547.19366	0.3
578.21375	4.8
614.38043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17443	1.1
59.01383	1.7
65.00319	6.2
67.27865	1.2
68.99815	3.0
69.03461	73.6
71.40371	1.2
73.73234	1.2
78.43921	1.0
82.42775	1.2
83.01397	15.4
85.02956	2.4
93.03467	5.6
95.01405	7.2
96.96022	1.7
104.38608	1.2
108.98105	1.2
109.02948	5.5
110.00109	3.9
111.00856	9.3
113.02455	16.2
113.03163	1.6
119.01408	1.5
123.00867	2.0
126.10373	1.2
128.59760	1.2
135.00937	6.6
135.04530	3.8
136.98824	5.4
137.02457	14.5
137.99597	1.6
139.00407	2.3
139.86263	1.2
143.05003	1.6
145.06599	5.7
147.04521	3.5
155.05017	2.0
155.08684	2.5
157.01437	66.8
157.06590	7.3
163.00330	6.4
164.98308	5.5
169.06558	3.8
171.04524	13.3
171.08148	2.4
173.06073	21.3
176.01149	3.3
181.01422	4.3
181.06531	1.9
195.08258	2.7
197.06090	3.7
197.09732	2.0
199.07584	6.4
201.05524	1.6
213.09216	3.1
217.44899	1.6
223.07634	4.6
225.03629	1.5
225.05621	6.2
226.06448	1.2
239.07173	17.6
241.05086	18.4
241.08722	13.3
242.05678	2.5
243.06641	55.1
244.06937	2.4
267.06665	30.3
268.06827	2.6
269.04584	47.4
270.05139	4.5
270.07785	1.6
271.05911	5.7
285.07709	23.4
293.04211	1.6
311.05746	9.4
329.06699	100.0
330.07016	5.3
397.10767	4.0
415.11929	22.7
433.12442	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	745.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
67.26462	2.0
98.21822	4.5
99.88387	2.6
103.01505	83.8
104.57818	2.1
114.71638	2.4
164.91420	2.3
229.30176	2.4
311.16891	6.8
336.33377	2.5
502.97995	2.9
555.18658	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	745.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.5
61.98814	1.9
63.22457	0.9
69.44688	4.3
71.05022	4.6
74.99091	1.4
75.77198	0.9
80.05063	4.0
82.02985	11.6
83.01395	3.2
83.05019	4.6
85.70012	0.9
86.02497	1.3
96.04562	4.8
98.02489	38.1
98.06129	5.4
98.22638	1.0
102.28207	1.1
105.60580	1.0
108.04565	18.9
119.05049	1.5
122.02496	42.4
124.04062	12.9
126.05619	12.3
126.90494	1.2
135.04544	1.1
140.01799	2.4
142.05104	4.3
142.51570	1.0
144.41884	1.1
152.03552	26.9
168.03050	15.0
170.04590	10.1
196.02538	100.0
197.02884	3.1
214.03574	14.4
392.01001	1.2
727.25354	4.0
745.26654	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	745.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
58.00599	1.0
59.01385	100.0
60.01727	1.6
61.98831	2.0
64.15220	0.7
71.01390	57.8
71.43978	0.9
72.99322	2.1
73.02955	2.4
73.52822	0.7
75.00878	1.6
83.01413	2.5
85.02966	11.3
85.76170	0.8
87.00890	3.9
88.98848	1.1
89.02456	72.7
90.02749	0.9
93.03472	2.0
95.01409	3.3
101.02454	32.2
113.02465	25.6
117.03540	1.2
119.03516	33.2
121.02987	2.3
122.03754	3.7
125.02480	1.2
128.41673	0.7
131.03497	4.6
133.03067	0.8
134.03807	0.8
135.04539	1.2
141.05455	0.8
143.03520	4.4
145.02986	3.4
149.02464	9.5
149.04565	2.8
150.03256	25.0
151.04021	1.1
160.01735	0.9
161.04546	4.6
164.04822	1.6
165.05600	21.8
165.07008	1.2
165.10292	0.8
166.06091	0.7
179.05653	10.0
180.04384	2.1
193.05087	1.0
195.06644	16.5
195.08281	1.3
221.06761	1.2
244.02565	4.5
245.02986	2.2
249.09450	0.9
253.53804	0.8
259.47876	0.8
263.07578	0.8
268.07748	1.5
280.07443	1.5
281.08508	0.9
296.06949	1.4
308.07092	1.4
309.07693	1.3
311.09369	1.6
322.08624	0.9
323.09448	3.4
324.06381	1.8
324.09991	1.6
337.07962	1.1
339.08749	12.6
339.12424	1.2
354.11246	3.7
369.13495	23.1
369.17999	1.5
370.14096	1.6
406.05768	1.6
407.06357	2.1
502.04700	0.9
517.18622	9.0
518.19769	1.2
522.19098	0.8
568.09131	2.4
569.09180	11.2
570.09857	1.5
583.14410	1.4
745.29163	3.9
746.25000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.1
69.38439	4.0
71.01398	4.9
73.02949	1.0
85.02942	1.4
89.02459	5.8
93.03466	5.6
95.01360	1.2
101.02438	4.7
108.02187	1.5
109.02955	1.1
113.02444	2.8
117.03477	1.0
119.03481	3.1
119.05015	1.8
120.01295	4.6
121.02952	12.1
122.03761	21.3
123.00896	1.3
123.04547	1.7
124.01704	1.3
125.02397	0.8
125.27064	1.0
128.03561	1.6
132.02158	1.2
133.02980	2.7
135.04538	8.6
136.01669	23.0
137.02431	2.7
145.02975	1.3
147.04501	2.3
149.02466	30.4
149.06081	1.6
150.03241	100.0
151.00450	5.6
151.04042	24.5
152.01166	1.9
152.04353	0.9
159.04449	0.9
160.05278	1.0
161.02460	2.4
161.06136	1.1
163.04002	2.7
164.04791	6.4
165.05582	92.9
166.01450	1.5
166.02731	17.6
166.05913	2.8
167.03476	3.0
171.04524	1.0
172.05298	1.9
175.03984	4.9
177.01854	1.0
177.05623	2.5
179.07060	1.0
180.04254	7.1
181.05078	19.4
187.03998	1.0
187.07739	1.3
189.05560	3.5
190.06371	7.3
195.06642	59.1
196.06989	2.1
205.04974	1.9
205.08806	1.0
213.56651	1.0
217.01425	2.2
221.08186	0.9
245.00874	2.8
282.05521	1.6
283.02396	1.1
284.03250	0.9
285.03922	1.5
308.06750	1.2
315.08722	1.6
323.09052	1.3
327.88757	0.9
329.10245	3.2
339.08572	1.2
341.10184	1.1
342.11087	2.2
355.11874	1.1
356.12378	1.5
357.09656	4.9
357.13461	10.2
369.13501	2.8
372.12134	4.1
373.12939	1.6
386.13489	2.5
387.14517	45.6
388.14658	3.9
389.03024	2.6
407.04034	3.7
490.16406	1.2
505.18814	3.3
535.19775	62.2
536.19971	7.1
553.20837	1.6
565.20636	2.7
569.07452	15.1
570.07281	2.6
583.21942	37.1
584.22137	5.3
627.56250	0.8
745.30927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84169	0.7
59.01385	13.9
59.47862	0.6
63.06607	0.6
69.19160	1.9
69.19585	2.4
71.01398	7.1
85.02959	1.5
87.00842	0.7
89.02457	10.3
93.03467	2.7
96.96037	2.8
101.02439	3.5
105.69856	0.7
109.02882	0.8
109.63260	0.6
113.02428	3.2
117.03462	1.6
119.03493	3.7
119.04990	0.9
121.02961	5.5
122.03766	11.1
123.04543	1.3
133.02968	3.7
134.03783	1.2
135.04556	3.0
136.01668	11.4
137.02451	2.2
145.02959	6.3
149.02458	10.9
150.03239	92.1
151.00430	3.4
151.04037	14.8
161.02467	5.5
162.03198	4.0
163.04019	1.1
164.04836	3.5
164.29655	0.7
165.05588	100.0
166.02719	8.3
166.05865	1.8
175.04016	2.0
177.01978	0.7
177.05588	2.3
179.03462	1.0
179.05602	2.1
179.07195	0.7
180.04314	6.0
181.05092	10.8
190.02740	0.8
191.03419	0.9
192.04227	0.7
195.06641	87.6
196.06989	2.5
205.14543	0.7
239.03452	0.8
284.03244	1.4
285.03979	1.0
322.99661	6.3
323.07706	1.9
342.11032	1.6
357.09689	2.3
357.13425	7.2
358.13876	0.8
369.13483	0.7
372.12100	1.6
387.14539	24.8
388.14786	2.0
442.35629	1.0
505.19327	0.7
516.13434	0.7
535.19800	3.2
539.72638	0.9
547.19427	0.9
553.20465	1.3
569.06824	1.2
583.21918	17.9
584.21967	2.5
709.15369	1.4
745.13055	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	745.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67700	0.6
59.01386	24.3
69.27213	2.9
69.27615	1.2
71.01375	0.7
80.05066	5.1
96.96027	1.9
98.22669	0.9
104.05062	1.0
106.06628	6.0
107.03775	1.0
108.04566	2.4
114.10469	0.6
118.06667	0.7
119.05064	0.6
121.05310	0.9
122.06111	5.4
129.96687	0.7
130.06615	1.0
134.06143	21.4
136.07727	3.4
146.06165	3.0
148.04065	1.6
148.07661	2.1
152.07208	4.9
158.06177	0.7
160.04053	2.0
160.07664	0.8
162.05719	1.0
173.04863	0.9
174.05605	2.4
180.06705	7.9
186.05640	1.4
188.07187	15.9
194.08223	1.6
197.10701	0.7
211.08757	2.5
223.08803	1.1
225.10359	3.9
227.11865	5.0
237.10329	1.8
238.07370	0.9
239.11909	1.9
249.10345	2.0
251.08287	2.1
251.11897	2.0
252.09125	1.5
253.09828	6.3
262.07584	0.7
263.08414	1.1
264.08905	1.9
265.09930	3.6
267.11340	3.9
277.09891	6.7
278.10434	1.2
279.07993	3.3
279.11011	3.3
285.03964	0.7
291.07916	0.8
292.08569	1.8
293.09436	4.3
293.12500	0.9
294.10104	2.0
295.10876	23.8
296.11340	2.2
305.09335	3.9
306.10217	1.3
307.10910	18.9
308.11359	1.9
321.08896	1.1
321.12515	1.8
339.05371	1.6
353.60812	0.7
365.11517	1.1
372.17447	1.1
374.19058	1.0
400.16718	3.1
401.17502	0.8
414.18210	3.1
415.18610	1.1
418.17776	1.9
440.16193	0.8
442.17734	14.3
443.18134	1.6
458.17059	1.3
460.18707	3.2
468.15836	1.1
486.17026	3.6
486.25806	0.6
502.19910	39.2
503.20093	3.8
504.17435	1.2
518.19452	2.1
536.20453	1.5
546.18872	100.0
547.19263	11.5
578.21497	46.5
579.21985	5.5
630.93195	0.8
669.25006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01323	23.8
59.01654	1.9
61.98780	1.4
65.00272	0.8
65.67362	0.7
70.75988	0.7
71.01313	4.1
71.39188	0.6
73.02914	0.9
74.99057	0.8
78.03454	1.2
80.04993	2.1
83.42968	0.6
85.02907	1.6
88.98768	2.0
89.00633	1.4
89.02454	5.1
93.03382	1.7
98.21911	2.1
99.00802	0.8
101.00607	0.9
101.02377	1.7
104.11634	0.6
105.81825	0.6
108.04478	1.2
113.02373	2.6
117.03471	4.8
119.03397	1.9
119.04947	2.2
121.02899	0.9
122.02496	53.9
122.03761	1.9
133.02916	1.4
134.03645	0.8
135.04410	1.0
145.02927	4.2
149.02351	1.8
150.03139	1.9
151.00188	0.7
159.00851	0.7
159.04463	1.0
161.02483	4.2
163.03929	1.9
164.04724	1.0
165.05476	2.6
165.33537	0.8
166.06261	0.9
167.03473	0.9
173.02408	1.6
175.00266	1.0
177.05368	0.7
185.02368	1.1
187.00259	0.7
187.03944	1.7
189.01970	3.7
190.02599	2.3
195.06602	1.5
201.01830	1.8
203.03325	0.9
205.04945	2.5
213.01823	0.8
214.99802	1.1
215.03369	1.1
216.00499	1.7
217.01459	7.3
229.01424	1.0
231.02837	1.5
237.13043	2.4
241.01488	1.3
242.99300	1.5
243.02933	1.0
244.00014	2.8
245.00926	53.5
246.01265	4.2
255.02806	1.5
257.00931	1.2
259.02390	2.2
261.00284	1.4
269.00766	1.8
269.04321	0.9
270.98785	1.9
277.05060	0.7
283.02411	1.6
285.00439	1.0
285.03928	3.2
286.98920	1.3
287.01971	14.5
288.02121	1.2
288.99948	0.9
307.05969	2.2
312.99969	3.3
325.03561	0.9
333.03998	1.5
334.04242	0.6
335.05447	0.9
335.22150	2.6
339.08566	0.8
351.05090	3.1
361.03534	0.9
363.05203	1.9
367.10422	3.3
368.10641	0.9
369.13614	1.3
377.15668	1.0
379.04596	1.2
389.02939	4.5
406.03574	0.7
407.04138	17.6
408.04327	2.1
431.03845	1.1
449.05325	1.0
491.25848	1.2
569.07294	100.0
570.07666	18.7
658.27838	7.3
701.32446	1.3
745.10187	1.3
745.31409	50.1
746.32538	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	746.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	0.8
59.01384	26.5
61.98825	0.7
63.55986	0.5
69.51632	1.9
71.01379	0.6
72.00934	0.5
72.27853	0.4
74.02469	2.9
74.99110	1.7
78.03507	1.3
80.33602	0.5
82.02991	3.0
83.36398	0.4
84.04545	2.6
85.02938	0.6
85.38677	0.4
86.02488	20.0
88.04044	1.6
93.93439	0.4
96.04521	0.7
107.06251	0.5
109.07715	1.3
113.02465	0.7
119.05036	1.0
122.02496	69.4
123.02826	1.1
126.01949	0.6
127.05161	3.9
127.08790	16.7
128.03555	100.0
129.03899	1.1
133.02965	0.6
135.04529	1.0
136.98831	0.4
153.06689	4.9
170.93645	0.5
171.07767	93.2
172.08040	1.7
177.66914	0.4
179.04590	1.4
183.50586	0.5
184.70149	0.5
197.05621	1.5
199.04010	0.6
215.06746	14.5
285.04071	0.6
299.01974	3.0
300.02780	5.6
315.23618	0.5
329.06503	1.0
330.06989	1.3
364.50757	0.5
407.18835	3.3
416.10846	0.7
433.57706	0.5
494.22250	8.2
495.22369	0.8
617.25250	8.6
623.26440	1.3
686.26599	0.7
702.22919	0.7
728.28131	1.2
746.29572	9.3
747.26074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
71.01392	4.7
71.41602	2.3
72.99290	3.4
73.02994	2.5
75.47636	2.0
83.12813	2.4
92.99859	2.3
93.03477	2.4
94.65958	2.1
95.01400	5.7
96.96007	4.4
96.99300	3.3
110.00103	4.7
111.00877	8.9
113.02452	3.7
117.03477	8.1
119.05042	5.6
120.99289	3.0
123.00873	9.9
125.00105	3.5
125.02448	3.6
133.02974	3.4
135.57748	2.7
136.98808	8.5
137.02403	4.1
139.00392	16.8
147.00963	3.6
149.02415	3.5
150.03133	3.9
151.00386	2.9
164.98282	31.4
165.05606	3.6
165.99094	4.0
166.99777	2.4
171.04579	2.5
182.03749	4.1
185.02534	2.9
190.99873	3.4
192.00630	3.5
193.01559	2.2
193.03467	5.1
195.06694	2.9
198.03221	2.7
199.03923	3.3
209.00847	2.3
211.04071	5.2
213.01797	2.7
215.03455	3.5
226.02696	8.0
227.03511	11.0
229.01448	9.4
237.01955	4.3
238.02678	7.0
239.03345	2.8
241.01439	5.8
243.02977	4.1
251.03453	2.5
254.02124	3.8
255.03008	20.5
256.03760	10.6
257.04562	13.4
271.02475	7.2
273.04083	4.9
277.05188	2.4
279.02884	3.3
282.01895	3.3
283.02472	8.9
285.04019	8.0
299.01901	6.9
299.05405	3.7
300.02405	2.6
325.03549	3.6
351.05093	4.4
353.10895	2.4
405.02451	6.2
417.06168	7.3
422.02795	31.6
423.03473	29.0
433.05777	12.5
464.04092	3.3
567.06873	2.6
584.05817	14.0
585.06787	100.0
586.06842	12.4
599.08911	3.1
729.12408	3.5
747.12030	95.1
747.22699	3.6
748.12280	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	747.121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01380	4.0
65.00314	2.2
67.01917	0.9
68.99803	1.0
71.01382	1.8
71.40952	0.7
75.00861	1.1
75.90078	0.6
79.95741	0.8
85.02955	4.7
85.80377	0.6
87.00856	0.7
95.01400	2.9
95.65553	0.7
99.00873	2.6
101.02460	0.7
103.00388	0.8
109.02969	0.8
111.00899	6.3
113.02456	10.4
119.05036	3.8
123.00893	2.6
131.07019	0.6
133.02957	2.7
135.04529	11.9
136.98822	2.4
137.02469	1.9
138.85315	0.7
139.00385	10.0
143.04987	1.1
145.03030	0.9
149.02457	1.1
150.03267	1.0
151.00383	1.1
157.06520	1.1
159.04533	0.8
161.02362	0.8
164.98312	2.1
165.01859	1.7
165.82573	0.6
166.99867	2.3
169.06627	1.3
171.04538	1.2
173.06084	0.7
175.02533	4.7
176.02901	0.8
177.01964	0.8
178.99875	1.3
183.04538	0.9
185.06065	3.9
187.04063	2.0
192.00652	1.6
195.04527	1.7
197.06151	1.1
213.05580	4.6
215.03409	1.0
223.03932	1.1
229.05025	1.2
233.04593	2.3
239.03642	1.5
241.05070	1.8
251.03427	1.0
255.03052	0.7
257.04535	5.2
269.04572	63.8
270.04892	4.4
301.03558	100.0
302.03876	4.7
445.07654	5.8
482.04050	0.7
533.21088	0.8
537.16730	0.8
572.17950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
65.00333	13.3
67.09441	0.4
71.01375	1.5
74.90363	0.5
83.01423	0.5
85.02936	1.5
92.99818	2.1
95.01378	0.8
95.34821	0.4
96.99313	2.4
98.21717	0.4
99.00890	1.1
110.00114	1.1
111.00908	0.8
113.02485	1.4
118.15163	0.5
119.05043	18.9
120.99326	1.0
133.02966	2.5
136.98830	11.1
139.00414	0.9
146.74596	0.4
149.02371	0.9
151.00356	2.4
164.98309	26.7
165.99043	3.0
171.04619	0.6
175.02596	0.6
175.04073	1.5
185.06081	0.8
187.04021	2.5
197.06165	0.9
199.04054	0.9
217.05067	1.4
229.05139	0.6
241.05075	1.1
257.04584	3.5
258.04999	0.5
285.04068	100.0
286.04395	5.5
286.09549	0.5
300.72260	0.5
327.05029	0.7
357.06152	0.8
461.07315	28.9
462.07639	2.0
744.67340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51520	1.1
59.01366	4.9
68.99800	2.3
71.01398	1.6
72.99329	1.9
82.00597	4.4
85.02952	1.4
89.02438	1.3
92.93377	1.3
93.03458	1.9
95.01401	6.1
96.99255	1.3
97.02944	1.6
99.00900	6.2
110.00111	21.4
111.00896	15.9
113.02453	2.8
117.03478	10.7
118.03960	1.4
119.05028	3.3
123.00885	11.2
124.98803	1.3
125.02407	1.6
125.33893	1.1
129.99107	1.4
133.02957	1.6
136.98831	5.1
137.02504	1.3
137.99620	3.1
139.00391	24.9
140.01115	1.8
141.01955	12.0
147.87340	1.1
153.01929	2.2
156.28355	1.4
159.04640	1.5
164.98326	6.2
165.01979	2.1
165.99095	29.3
166.99879	52.8
168.00119	1.4
171.04578	2.0
173.02464	1.7
183.04483	1.4
185.00896	3.5
186.13486	1.2
187.03931	1.5
193.03583	4.1
197.02475	1.5
197.06050	1.4
199.03941	4.4
209.01010	1.7
211.04051	2.3
213.05675	2.3
215.03526	1.4
223.04028	1.6
225.01993	1.7
225.05678	2.6
226.02693	1.4
227.03517	17.5
239.03510	2.2
241.05075	3.2
243.03072	1.6
251.03523	9.1
255.03018	20.4
257.04501	2.1
267.02985	2.8
269.04587	2.1
271.02621	2.4
279.02957	12.7
280.03674	5.0
281.01044	1.4
295.02512	8.3
296.03094	3.3
297.04004	13.3
323.01910	3.8
329.05194	30.8
343.05710	1.5
399.05396	1.5
405.02521	2.7
405.36359	1.4
415.04776	2.2
416.05215	2.6
417.06192	100.0
418.06668	8.8
422.03168	2.3
443.04114	23.1
444.04587	2.7
455.04102	3.0
486.00732	1.4
523.06451	2.7
567.05725	7.1
584.05878	8.3
585.06824	92.3
586.07153	12.7
690.64569	1.5
729.10919	4.4
747.12085	45.0
748.13080	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	747.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28018	0.5
59.01382	2.4
69.37570	1.1
69.37951	0.9
71.01388	0.8
85.86649	0.4
98.21913	0.9
107.01424	1.8
109.02982	1.1
111.00856	0.5
113.02501	0.6
119.05063	1.1
122.47253	0.4
125.02449	1.1
125.48432	0.4
132.02217	0.5
133.02975	9.3
133.03900	0.7
135.04576	1.4
139.00386	0.8
151.00398	4.2
159.04477	0.6
163.04073	0.5
164.98343	1.8
171.04530	0.9
175.04057	1.0
183.04501	0.8
186.03094	0.5
187.04092	0.9
193.03580	0.6
198.03162	0.6
199.04010	2.0
201.01982	2.3
203.03577	0.6
211.04016	0.8
223.04015	0.9
225.01990	0.9
226.02814	1.0
227.03503	8.0
239.03532	1.1
241.01529	1.0
241.05061	1.8
243.03058	2.1
251.03468	2.3
253.01401	0.6
255.02986	8.1
257.04669	1.1
267.03036	1.5
269.01947	0.6
269.04526	2.8
271.02509	2.9
278.99576	0.4
279.02844	2.3
280.03815	1.0
285.04214	0.8
295.02585	1.7
296.03235	1.1
297.04016	4.3
299.01962	2.2
313.05829	1.0
323.01886	0.9
343.06094	0.8
355.11823	0.6
387.05121	1.2
405.02316	1.4
405.06650	0.9
407.03934	0.5
422.02899	1.1
423.03290	0.6
433.05649	100.0
434.05957	7.6
459.03638	4.3
536.10004	0.7
567.07623	1.3
584.97437	0.9
585.06781	17.5
586.06793	3.1
644.69391	0.5
747.12042	24.6
748.12354	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	747.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.6
59.01374	4.4
60.91846	1.1
61.78916	1.0
64.07481	1.0
69.03442	2.1
69.36166	5.4
71.01380	3.1
73.02962	1.6
85.02966	4.8
95.01392	2.7
97.02948	2.9
98.21902	1.1
99.00890	10.7
108.98845	1.0
111.00892	9.6
113.02467	10.2
113.75343	1.1
119.05026	4.0
123.00895	4.4
139.00362	8.7
141.01955	100.0
142.02251	1.6
153.01990	1.8
171.56041	1.2
175.02493	3.3
189.69690	1.2
203.40993	1.1
217.03156	1.2
229.05060	1.3
239.03564	1.5
268.03796	15.2
269.04471	1.6
283.06122	13.2
285.04150	2.2
287.05652	61.6
288.05942	2.7
341.02963	3.7
355.24161	1.1
357.10132	1.1
487.11075	1.3
571.08923	9.8
572.08887	1.5
599.09479	1.1
768.91425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	89.1
59.63985	3.0
61.02050	4.1
64.63107	3.0
67.05363	3.3
69.03432	4.9
69.14176	3.2
71.01387	74.1
71.39587	3.2
73.02941	12.3
83.01428	3.6
85.02956	16.4
87.00875	21.3
89.02447	62.7
97.02952	4.4
101.02464	51.7
113.02480	39.8
119.03502	15.0
125.02454	12.6
131.03496	5.2
141.00533	4.7
141.01715	17.8
143.03493	14.6
151.84679	3.1
153.01718	28.7
161.04523	9.2
165.01703	18.6
173.10439	4.1
179.05600	30.6
183.02748	4.4
195.02763	6.4
203.05602	5.3
207.05127	7.6
213.78561	3.3
221.06631	14.9
225.03923	10.6
243.04948	33.5
273.05853	4.6
341.10812	14.7
363.09055	11.6
383.11975	50.2
387.08899	6.5
405.10010	83.9
423.10001	7.4
443.14078	8.3
465.11157	34.8
485.15039	6.9
507.13373	8.3
665.21527	79.2
687.19641	100.0
765.32813	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	747.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55683	3.5
57.10577	3.2
59.01382	79.1
69.35265	5.5
69.35672	12.4
69.92712	2.8
71.01023	6.1
71.01387	78.3
72.10546	2.8
73.02960	16.0
73.65517	2.9
80.91688	5.1
82.88878	3.2
85.02975	16.3
87.00878	21.9
89.02457	60.3
97.02957	6.1
101.02452	62.8
108.63235	3.1
111.00633	4.3
113.02461	32.0
119.03503	14.2
125.02461	14.7
127.13834	4.1
131.03468	4.3
141.00584	6.0
141.01695	19.7
143.03487	18.8
153.00540	5.6
153.01692	30.5
161.04556	7.8
165.01651	16.2
179.05612	27.9
183.02686	5.3
195.02789	7.3
203.05696	3.8
211.64316	3.3
221.06708	15.3
225.03786	9.5
235.08331	4.2
243.04961	27.6
273.05945	8.5
335.50690	3.2
341.10849	12.7
345.07864	4.0
363.09155	11.5
383.12012	52.7
384.20193	3.4
387.09131	4.0
392.84363	3.5
405.10059	75.7
406.09900	4.1
423.09824	6.2
428.84885	3.3
443.14059	8.7
447.11252	8.3
465.11072	22.0
466.11722	4.0
485.15118	7.6
503.16614	4.1
507.12897	11.3
591.12897	3.7
665.21576	84.8
666.21936	6.9
687.19653	100.0
688.19830	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	747.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.1
61.98831	1.4
65.00330	2.7
67.01895	2.6
68.99833	1.5
71.01391	8.7
71.37243	0.8
71.41096	1.1
71.43033	1.0
73.02959	2.6
81.03487	2.9
83.01394	2.3
85.02946	3.4
89.02471	2.3
91.01893	2.3
92.57593	0.9
95.01398	2.7
99.00901	1.1
101.02457	4.3
105.03478	2.7
106.25317	0.9
107.01386	6.2
108.02185	13.0
109.02952	4.1
111.00878	2.0
113.02475	6.2
119.05045	4.5
121.02981	1.6
122.03793	1.5
123.00903	3.4
123.04532	12.4
124.01649	1.2
125.02451	3.9
133.02902	1.7
135.04573	2.0
136.01675	1.2
136.98819	1.4
137.02464	5.2
139.00401	1.7
149.02409	1.9
150.03250	3.5
151.00401	8.2
151.04005	10.9
152.01173	18.4
153.01962	3.4
161.02464	38.0
161.04530	1.5
162.03186	4.0
163.04077	1.4
164.98283	3.0
165.01942	25.5
165.05531	1.5
166.02736	6.1
167.03508	46.3
173.06044	1.2
175.02513	1.5
175.03961	1.2
176.04803	18.9
177.01971	1.5
177.05539	1.2
179.03505	67.9
180.04288	25.3
181.04982	3.1
191.07167	8.0
192.04294	2.6
193.04994	1.7
194.05847	52.6
195.02992	2.8
195.06627	44.3
196.07007	1.5
207.06610	4.1
209.08199	62.9
210.05296	3.8
210.08539	1.9
225.07671	13.6
241.05061	2.6
253.53419	0.9
257.04706	1.4
269.04529	21.3
270.04871	2.0
285.03986	1.8
296.05353	4.7
297.05957	1.2
301.03568	5.8
301.06613	1.3
311.07745	100.0
312.08044	5.1
326.66397	1.0
336.22482	1.6
445.07742	1.2
507.15091	4.4
519.15259	9.2
537.16168	63.5
538.16589	5.6
571.09821	1.1
747.25397	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	747.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
57.16586	2.0
58.82377	2.3
59.01391	23.8
70.48708	4.2
86.93700	2.0
89.75018	2.1
95.05042	3.0
99.04551	2.6
102.19729	2.2
103.35879	2.1
107.03780	3.3
112.01654	2.3
119.05082	2.9
121.05399	2.2
122.06130	51.7
134.06152	8.2
135.88066	2.2
144.04549	4.6
146.06117	4.4
148.19458	2.2
160.06491	3.7
162.05621	2.2
174.05617	7.6
180.06709	3.6
180.37061	2.2
188.07237	4.8
203.05864	4.8
213.10341	18.0
215.11906	7.7
225.10425	2.7
226.11162	3.0
237.10439	5.2
239.11909	19.2
241.13466	10.7
249.10284	2.7
251.08348	3.9
251.11957	6.9
263.08401	3.3
263.11896	2.5
264.09085	8.8
265.09854	7.9
267.11429	5.9
277.09842	6.7
278.10471	3.6
279.08456	3.6
279.11420	17.3
280.12048	3.4
281.12793	3.1
283.10977	5.2
285.12448	41.2
287.96188	2.3
290.10400	2.9
291.08084	4.3
291.11423	7.1
292.08591	9.8
293.09329	8.5
293.12827	6.1
295.10983	2.9
306.10104	9.6
307.10898	36.3
308.11676	20.2
313.79321	2.5
333.93243	2.4
350.09131	17.8
351.09827	33.0
352.10504	2.3
356.13980	5.1
365.11334	10.5
370.15643	7.9
384.13535	4.0
387.16394	2.6
388.16580	6.0
398.15048	9.1
399.15469	2.9
400.17062	3.7
401.17459	2.8
402.18234	3.9
412.16757	5.8
413.17444	8.4
414.14523	5.5
428.15634	3.0
429.17081	5.8
430.17703	20.6
444.19360	11.8
448.18646	3.1
456.15656	7.9
457.16351	2.5
473.15894	2.5
474.16934	25.9
488.18372	22.9
489.18842	3.1
493.22763	4.0
506.19241	7.1
520.21039	40.9
521.21228	5.5
535.23566	48.3
536.23669	4.9
548.20050	8.2
567.26178	34.6
568.26581	6.6
579.22742	23.9
580.23035	15.1
611.25128	100.0
612.25720	13.9
627.28387	5.7
639.23138	2.9
643.17645	4.8
643.27832	62.0
644.28430	9.7
661.29150	3.3
671.27350	26.9
672.27533	4.8
703.29913	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	749.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03970	1.6
59.01380	5.0
60.55312	1.3
62.82832	1.4
65.00331	17.7
71.01388	4.4
72.99342	1.3
75.00888	2.2
85.02962	10.1
93.03456	2.6
95.01406	6.0
99.00872	3.0
109.02966	1.4
111.00882	4.3
113.02448	20.6
119.05051	19.7
123.00915	3.0
136.98820	11.9
139.00404	11.8
149.31316	1.4
153.01953	25.4
166.99863	17.7
175.02534	14.9
181.01437	13.6
192.00392	1.6
193.01472	3.5
193.03455	1.3
241.05055	7.1
259.06058	2.5
269.04578	5.3
287.05624	100.0
288.06052	2.4
406.40976	1.6
415.95828	1.6
463.08878	38.0
464.08887	1.6
587.23865	1.8
682.98303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72010	1.0
55.01892	1.5
57.03428	2.2
59.01382	52.4
67.18043	1.1
69.03479	1.9
71.01389	48.7
72.99289	2.1
73.02950	15.9
75.00897	1.4
81.03447	2.2
83.01392	5.5
85.02958	17.6
87.00884	34.3
87.04534	2.7
89.02454	33.3
93.88218	1.1
95.01367	6.4
97.02960	6.1
98.21887	3.2
99.00886	2.4
99.67487	1.1
101.02458	58.2
101.06090	100.0
109.02985	2.3
113.02463	43.1
115.04029	2.0
115.07655	33.6
119.03494	6.4
125.02454	13.5
129.01927	1.2
131.03514	5.0
139.03981	1.6
141.01949	1.4
143.03520	15.3
143.07170	3.6
161.04570	19.7
179.03720	1.3
179.05626	28.2
179.31769	1.2
203.05664	10.1
221.06682	13.4
235.08247	2.2
263.07733	2.5
263.11276	5.7
281.08823	1.8
285.03931	1.7
286.43939	1.2
305.08932	2.1
305.12433	1.5
323.09845	6.9
341.10864	8.1
365.10892	18.0
383.12036	14.2
397.13376	4.6
425.12302	2.1
425.16959	3.4
434.76859	1.4
467.18442	14.2
485.15103	13.2
527.20160	1.6
569.20172	1.6
647.20447	59.1
648.20953	2.8
665.20959	3.6
749.27258	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	751.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91713	0.3
57.03434	0.3
58.02975	1.2
59.01388	2.8
65.00330	0.8
69.19965	1.7
71.01381	2.2
72.00910	0.3
74.02482	5.5
75.00867	0.8
83.01374	0.5
85.02942	3.0
87.00902	0.7
89.02456	0.3
95.01383	0.7
98.02503	1.7
99.00901	1.2
103.00401	0.5
107.01411	0.9
113.02458	5.6
113.03178	0.2
113.82576	0.3
116.03530	1.0
116.05090	1.7
117.01953	0.4
117.03468	0.4
119.05028	0.8
121.02966	0.4
129.01927	0.3
133.02975	3.1
136.98846	0.5
139.00371	0.4
145.23579	0.3
149.02455	1.0
151.00397	2.0
159.09280	0.6
164.98268	1.3
165.99181	0.3
171.04541	0.6
175.02472	2.6
175.04021	1.2
185.06076	0.9
193.11758	0.4
197.09578	0.3
199.04059	1.4
201.01994	0.6
201.10356	0.6
203.08304	4.7
204.08739	0.4
211.04047	0.5
213.05521	0.6
217.05115	0.6
239.03525	0.8
241.04996	0.7
243.02888	0.7
245.09329	12.8
246.09602	0.8
267.03088	0.9
285.04071	100.0
286.04449	5.3
312.61505	0.4
327.05148	0.5
357.06058	0.6
435.51932	0.3
461.07315	38.4
462.07562	3.2
536.70209	0.3
637.19885	0.3
703.10303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.98833	0.3
69.24609	1.1
69.25031	0.6
71.01381	1.0
72.99316	4.7
73.02962	0.3
75.00879	100.0
87.16415	0.3
89.02452	1.1
97.02914	0.4
101.02462	0.7
111.83694	0.3
113.02505	0.7
125.02495	0.3
131.03477	0.3
143.03488	0.4
161.04585	0.3
179.05573	0.3
235.08105	0.4
246.26717	0.3
261.05975	1.1
261.25610	0.3
277.21753	3.6
278.22000	0.3
289.09195	0.8
290.09781	0.7
305.08887	0.4
319.13754	8.4
320.14102	0.4
397.13538	6.8
415.14777	2.1
521.23132	0.3
558.03424	0.3
597.16248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
65.00330	7.5
66.00677	2.0
68.99814	1.3
69.52901	4.6
69.53284	2.7
83.01386	1.6
85.02954	3.6
95.01389	2.6
96.96082	1.3
99.00869	2.3
106.55986	1.5
111.00903	7.6
113.02469	5.6
114.02814	2.1
114.25178	1.2
119.05040	3.7
120.05410	2.7
123.00922	2.7
135.04527	1.9
136.98788	6.3
137.02466	1.5
139.00409	11.5
151.00426	2.0
153.01955	7.4
154.02312	2.4
166.99913	7.3
168.00134	2.5
175.02524	2.3
181.01433	3.0
182.01717	1.2
201.05516	2.1
215.03497	1.5
241.04979	2.9
242.02208	2.8
259.12656	1.4
287.02396	2.5
287.05554	13.8
288.05978	15.8
289.06094	11.2
290.06506	2.5
301.03561	100.0
302.03906	4.5
362.78171	1.3
380.99258	43.8
381.99435	2.1
389.14682	1.4
463.08963	3.2
464.09250	3.3
465.09415	4.9
466.09445	3.9
672.61279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	10.9
65.84004	2.8
65.99856	7.5
67.73464	2.7
69.51402	4.9
69.51808	9.0
95.01402	5.8
108.02216	2.8
110.02470	3.2
114.18129	2.8
120.00870	2.9
120.02171	8.6
123.03362	3.5
134.02475	3.1
135.03242	3.2
136.00418	18.9
136.03998	3.2
136.98863	6.2
137.02451	10.4
137.13286	2.8
146.02518	3.3
163.00365	3.9
163.99892	18.9
164.01173	30.6
165.00629	5.6
169.06412	2.7
171.04506	5.8
173.06126	2.8
174.01973	4.3
175.99977	5.1
189.99124	4.3
198.02028	4.9
218.00900	7.2
224.06996	3.6
240.06689	4.5
241.05157	3.5
242.01082	5.9
242.08241	24.8
252.06779	5.6
255.06555	5.5
262.05048	2.9
267.06732	31.7
267.40509	2.7
268.06131	65.8
269.08405	6.8
270.07742	100.0
271.08072	6.7
278.08237	10.7
280.06134	10.1
294.07877	7.1
295.05899	4.3
296.05615	12.4
306.07736	3.1
308.06607	3.0
318.03830	3.2
322.07217	34.7
326.04468	4.0
346.07089	4.9
352.01895	3.4
356.50089	3.3
362.56158	3.6
378.03677	5.0
390.06030	8.4
442.05646	4.2
456.06494	4.5
482.10178	3.3
498.09668	3.1
500.11047	3.9
518.11981	8.4
522.12091	40.5
526.09216	29.7
542.12299	46.8
544.10211	27.5
545.10754	3.4
546.11847	4.0
560.13232	62.2
564.13000	23.4
568.10406	5.0
586.10962	7.2
604.12262	35.9
752.20160	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	753.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52878	0.6
58.02982	2.1
59.01385	6.3
65.00328	0.8
67.01884	0.7
70.02993	1.8
71.01380	4.6
72.04574	1.0
72.99323	1.5
74.02480	15.6
75.00889	2.1
83.01406	2.0
83.71411	0.6
85.02969	9.5
87.00903	1.5
93.03468	1.5
95.01398	4.7
98.02493	3.5
99.00906	3.4
102.07375	0.8
103.00365	1.6
109.02962	0.8
109.17008	0.6
111.00863	3.3
113.02463	22.8
115.00381	0.7
116.03561	4.1
116.05053	6.0
117.01942	1.2
119.05044	20.6
123.00919	2.9
124.01686	1.1
125.69139	0.6
136.98816	3.0
137.02475	1.2
139.00404	13.0
141.01953	2.0
142.06654	1.7
153.01968	24.1
159.09323	1.0
164.98340	0.8
166.99883	20.1
173.06123	1.1
175.02492	15.5
175.03973	1.1
181.01453	13.1
182.01994	0.7
189.05475	0.7
193.01497	2.9
193.03520	3.2
201.05762	0.8
201.10309	0.9
203.08296	15.1
204.08669	1.0
215.07018	0.9
225.05653	0.8
241.05118	1.2
243.06697	1.1
245.09320	35.9
246.09721	2.3
259.06152	3.6
269.04587	6.3
285.04099	7.1
286.04349	5.7
287.05646	100.0
288.06042	4.3
300.02649	1.0
409.13281	0.7
462.07376	1.6
463.08853	48.7
464.09219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
65.00315	0.3
66.97092	0.2
69.95923	0.7
71.01383	0.3
71.26279	0.2
75.23480	0.2
83.30327	0.2
85.02968	0.3
89.03975	2.0
98.21928	0.4
113.02486	0.6
117.03472	5.5
118.03810	0.3
119.05012	0.9
121.02992	0.3
123.04507	0.4
133.02975	0.5
134.03748	41.4
135.04176	0.5
137.02423	0.4
145.02954	4.0
147.04538	0.6
149.06093	3.4
153.05562	0.5
161.02435	1.3
163.04018	2.2
173.02443	9.9
178.02704	2.7
185.02426	0.3
189.01933	4.6
193.05064	31.0
194.05420	0.9
203.03595	0.3
214.02705	0.4
217.01379	1.8
219.08205	0.5
235.07475	0.5
246.06776	0.4
247.07643	0.7
263.07071	1.1
275.07196	0.2
277.05310	0.3
281.08093	0.3
289.05170	0.4
290.05887	1.6
290.16238	0.3
291.06638	6.5
292.07187	0.3
301.05038	0.4
319.06113	100.0
320.06442	5.2
322.04855	0.3
337.07101	0.8
359.31378	0.2
367.08206	0.5
379.08051	0.3
439.10339	34.9
440.10645	2.4
559.14539	0.9
577.15875	2.7
753.27081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.5
71.01379	1.9
85.02966	0.3
88.99694	0.2
89.02448	1.5
89.03967	1.3
98.38623	0.3
101.02485	0.3
101.03973	1.7
105.03424	0.2
106.04250	0.4
114.56647	0.2
117.03462	2.1
119.05061	0.4
133.03061	0.2
134.03755	18.2
135.04179	0.3
145.02969	2.7
149.06097	1.3
156.07538	0.2
161.02425	0.9
163.04044	0.8
169.19553	0.2
171.00861	0.3
173.02441	12.7
174.02728	0.3
175.03984	0.2
178.02753	1.2
189.01939	16.6
190.02211	0.3
193.05077	10.1
194.05617	0.4
199.00346	0.5
203.03551	0.3
207.08206	1.0
212.02591	0.2
214.02713	0.3
217.01454	0.8
218.07289	0.2
219.08188	0.9
235.07654	0.9
245.06070	0.9
246.06842	1.3
247.07637	7.6
247.10123	0.4
263.07135	1.4
273.05490	0.4
277.05103	0.4
291.06647	26.9
292.07098	1.2
301.05075	7.5
302.05573	0.4
319.06128	47.0
320.06485	3.2
331.06128	0.5
337.07211	0.4
349.07114	1.4
373.07535	0.3
439.10358	100.0
440.10724	6.1
466.31271	0.2
543.70483	0.3
559.14850	1.2
577.15820	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	753.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
65.00313	1.7
69.71682	1.1
70.03020	2.9
71.01384	4.3
73.02952	2.0
85.02962	2.8
89.03996	2.1
96.96020	4.5
101.02467	1.3
110.00100	1.4
113.02469	3.5
117.03452	6.4
133.02950	2.2
134.03757	45.1
135.04230	1.2
145.02924	4.0
147.04527	1.4
149.02391	1.7
149.06114	3.0
160.82133	1.3
161.02463	3.4
163.04001	3.2
164.98232	2.4
167.03510	1.9
172.43898	1.3
173.02451	11.9
175.03957	2.5
178.02666	2.5
189.01949	5.2
193.05069	29.9
193.06764	2.2
203.03485	2.8
215.03616	1.6
217.01414	2.0
229.04982	1.7
247.07567	1.3
247.09938	2.9
253.04991	1.9
263.07007	1.8
265.05002	1.9
267.06705	6.7
269.04587	6.4
271.06097	2.3
279.06537	3.8
280.07413	1.5
281.08170	6.6
291.06500	8.5
293.04739	1.8
293.07977	2.2
295.06192	5.8
300.10980	1.1
307.06055	5.6
309.07700	1.7
319.06134	100.0
320.06509	4.1
321.07773	2.4
323.05707	4.2
325.07364	1.7
327.08847	1.8
329.13065	1.3
337.07233	10.7
343.15662	5.7
344.15771	5.4
345.07492	3.3
345.16080	1.4
347.05588	1.4
349.07187	10.5
353.06644	3.0
367.08261	7.5
370.09274	7.6
379.08075	3.9
398.13553	2.0
398.90814	1.5
439.10361	17.4
457.11539	4.2
465.11725	1.8
469.11496	1.9
487.12485	2.5
541.13385	1.7
559.14807	9.3
577.15546	30.8
633.15692	2.8
753.20251	39.2
754.20911	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	753.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20484	0.6
55.01878	1.3
59.01386	15.3
63.06335	0.6
63.07652	0.5
69.03462	1.3
69.05048	1.4
69.05463	2.8
71.01386	27.9
72.99306	0.9
73.02953	5.3
78.53404	0.5
81.03419	1.0
82.33992	0.5
83.01401	2.7
85.02958	8.3
86.00076	1.2
86.73446	0.5
87.00890	5.3
89.02443	5.3
95.01382	1.1
97.02947	2.6
99.00874	2.8
99.04491	0.7
101.02436	7.0
103.05545	2.0
107.05034	1.2
113.02452	10.2
118.32504	0.6
119.03494	1.6
119.05060	0.7
123.04535	9.6
125.02435	3.2
131.03513	3.2
131.05040	0.6
133.06593	0.7
134.03682	1.1
135.04535	49.7
136.04929	0.8
143.03513	1.2
145.06618	0.8
147.04533	60.2
148.04878	1.5
153.05597	10.4
157.06641	0.6
161.04593	1.7
161.06076	10.3
169.06699	0.6
179.05605	1.7
187.07628	1.2
189.05568	1.5
192.92851	0.6
215.07126	2.4
221.06671	2.0
243.06587	3.9
269.04706	0.7
291.08658	1.3
297.09738	3.1
299.92035	0.6
315.10837	2.1
443.15762	0.9
445.15094	0.8
461.16724	0.6
470.16922	0.6
527.07202	0.7
591.20862	8.8
605.20923	4.1
622.31909	0.6
753.26111	100.0
754.26355	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	754.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34483	1.3
61.35080	1.2
65.00337	3.9
65.99874	1.8
71.41657	1.5
75.37305	1.2
81.03461	17.3
96.38391	1.2
107.77930	1.3
111.00893	14.0
117.03491	1.3
135.04391	1.4
136.00389	1.3
139.00397	9.4
141.07115	1.6
154.95222	1.3
157.06505	1.4
159.03281	2.8
165.00624	1.6
169.06618	1.6
171.04495	1.8
173.06046	1.4
177.09850	1.3
180.08234	2.0
187.02754	4.5
196.07719	1.4
207.08586	1.5
208.07790	2.1
210.09253	2.7
216.14288	1.6
220.07683	1.7
225.05547	5.1
231.06662	8.0
232.07599	1.4
234.09261	1.7
236.07338	2.3
242.08183	6.5
244.07686	2.0
250.08774	2.8
252.04189	1.7
253.05150	5.3
254.08286	2.0
260.07199	1.8
262.08792	1.9
264.06622	1.5
267.06873	2.8
268.06274	2.1
270.07727	12.1
274.08768	2.7
278.08133	6.2
280.06226	2.4
288.06845	2.2
291.09094	5.0
302.08194	3.6
304.06137	1.8
306.08023	1.7
323.07593	1.4
330.07404	1.7
341.26184	1.5
382.14557	21.3
398.13879	4.9
434.14087	2.0
436.12054	2.1
450.13516	69.9
451.13766	4.7
454.12988	9.6
460.12137	1.6
478.13138	6.5
483.39865	1.4
494.16101	2.7
522.11957	100.0
523.12488	6.2
564.12732	3.3
608.39801	1.6
624.20050	3.9
648.20233	4.1
666.20862	3.3
674.18201	3.7
710.20691	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	755.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72071	2.2
56.72846	2.1
57.03454	2.4
59.01385	9.0
59.15249	2.0
69.59555	4.5
69.59937	3.7
70.17772	1.9
71.01408	2.0
73.02950	6.6
80.53563	2.1
81.03452	6.5
83.01405	4.5
85.88741	2.1
95.05011	3.1
96.96014	5.3
97.02969	4.9
98.21945	4.5
99.04518	3.4
101.02422	2.9
108.02195	3.1
109.02960	26.9
120.99679	4.3
121.02972	7.5
123.04522	3.8
125.02444	36.3
133.02991	3.1
135.00877	7.1
136.01697	3.5
137.02448	22.1
138.03204	5.8
139.00385	3.3
139.04041	2.8
148.01656	4.5
149.02440	48.6
151.04008	4.4
161.02504	6.8
163.00385	8.9
164.01122	13.2
165.01926	37.0
166.02715	13.5
167.03511	27.9
173.02457	3.1
173.87602	2.2
175.04016	12.9
176.01187	9.0
177.01918	5.0
190.99872	35.3
191.03545	6.8
192.00603	14.7
192.99721	4.6
193.01427	59.8
194.59070	2.0
198.03207	3.6
199.04021	15.0
211.04057	4.1
212.04793	3.1
213.05647	3.2
217.05017	8.9
219.02834	2.5
222.76155	2.4
223.04034	10.5
227.03438	2.6
241.05121	18.9
243.02888	6.2
256.03809	2.4
257.04599	6.7
260.99939	2.2
267.02997	100.0
268.03336	6.0
284.03281	20.2
285.04050	98.7
286.04471	4.8
303.05121	9.7
309.04059	4.2
364.99689	12.8
371.09824	21.2
381.08261	9.2
396.07083	3.9
397.07751	58.9
398.07745	3.9
489.10461	49.0
490.10544	3.8
507.11475	59.8
508.11847	3.1
531.11713	3.3
601.14331	11.3
711.17749	11.0
755.20874	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	755.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.6
59.01374	6.3
61.54718	1.7
62.66904	1.4
69.61811	6.8
71.01424	1.6
73.02961	5.5
81.03460	6.8
83.01393	3.2
93.03460	2.6
97.02971	4.6
99.04525	5.2
105.03471	2.0
107.01383	1.9
108.02186	8.3
109.02968	40.8
121.02953	8.9
123.04546	3.7
124.01699	2.8
125.02463	22.4
136.01643	2.3
137.02454	23.5
138.03214	4.8
143.04898	1.8
149.02467	34.7
160.35561	1.4
161.02434	3.5
163.00407	4.2
164.01173	7.3
165.01950	34.1
166.02739	16.7
167.02112	3.5
167.03508	50.9
175.04030	11.6
176.01151	5.8
177.01920	4.4
190.99939	9.8
191.03531	3.6
192.00726	7.5
193.01436	30.6
199.04034	9.2
201.01930	4.2
213.05620	3.2
215.03526	2.4
217.05034	13.1
219.03055	1.9
223.03958	4.0
238.47591	1.8
241.05107	17.1
243.02899	4.3
257.04489	3.7
259.06021	4.7
267.03015	25.4
284.03323	5.0
285.04095	79.0
286.04480	3.7
303.05121	50.0
304.05371	3.7
371.09805	25.2
381.08273	6.2
397.07880	17.4
489.10507	22.0
507.11490	100.0
508.11646	10.6
601.14313	2.4
711.17621	19.3
712.18268	2.8
714.24500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
60.99310	13.7
66.82428	0.4
71.01378	0.6
78.95876	0.4
88.98811	100.0
89.02469	1.0
89.99208	0.5
134.67784	0.5
179.05638	0.6
192.08261	0.4
210.21541	0.4
254.70781	0.5
383.11948	0.5
434.58844	0.5
466.33365	0.4
543.26422	0.5
665.21545	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2409
Annotation	Markhamioside C
Peak:m/z	Relative Intensity
57.37844	1.0
58.43571	1.0
59.01387	6.7
60.62366	0.9
68.87038	1.1
69.46828	4.2
71.01394	8.3
85.02965	7.9
89.02457	2.8
95.01394	3.4
95.32150	1.0
101.02441	2.0
105.03489	1.0
111.74427	1.3
113.02477	12.0
117.03326	1.1
123.04557	2.4
131.03577	1.8
132.02206	3.2
133.02985	43.6
134.03798	1.8
135.04558	24.5
136.04874	1.4
150.87376	0.9
151.62271	0.9
153.05612	1.6
161.02470	100.0
162.02811	2.3
179.03487	5.6
194.09944	1.1
220.46895	0.9
329.47186	1.3
386.50906	1.0
461.16504	2.1
593.21381	5.5
697.67700	1.1
755.24078	49.0
756.24304	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	755.2407
Annotation	Markhamioside C
Peak:m/z	Relative Intensity
54.76615	0.4
57.03447	1.3
59.01384	9.2
69.51833	0.7
69.52223	1.2
71.01388	10.4
73.02943	2.0
83.01385	0.9
85.02962	9.3
87.00860	1.1
89.02458	3.8
95.01392	3.5
96.95990	0.7
101.02449	2.5
105.03440	0.6
109.19299	0.4
113.02465	21.5
117.03472	1.2
119.03524	0.6
123.04534	2.0
131.03510	2.2
132.02200	2.0
133.02968	38.1
134.03712	1.0
135.04541	30.8
143.03496	0.6
149.04532	0.5
153.05583	1.3
161.02458	100.0
162.02779	2.5
179.03510	12.0
181.05202	0.5
233.04631	0.9
251.05652	1.5
260.96408	0.4
271.62119	0.4
297.09790	1.1
301.14471	1.5
315.10852	1.6
319.61407	0.6
323.07568	0.7
327.16025	0.7
345.17068	6.8
448.23486	0.5
461.16660	3.2
489.21155	0.7
551.24615	0.6
593.21075	5.4
623.19836	0.8
672.43182	0.7
711.28503	3.9
755.24060	77.8
756.24432	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	755.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	16.1
71.01382	6.8
71.43018	1.0
73.02955	15.9
83.01395	3.4
83.78395	1.1
85.02940	1.9
89.02467	1.9
91.38284	1.2
101.02454	8.9
113.02480	5.4
117.03456	6.4
124.86341	1.3
129.00923	1.1
133.03004	5.3
133.21678	1.0
135.03625	1.5
135.04552	16.3
148.45314	1.2
161.02457	13.0
161.04546	1.4
173.02379	1.6
173.06055	1.1
179.03557	6.8
217.01450	1.4
225.03032	1.1
269.11823	5.3
270.46045	1.4
283.09836	3.0
283.12997	1.4
297.07693	3.4
301.14481	18.7
306.05392	1.6
307.06073	3.0
313.14474	1.7
325.07043	2.2
327.12576	1.8
327.15903	7.7
329.13837	2.7
335.05615	19.3
336.06165	1.4
343.15567	1.8
344.16525	5.4
345.17081	100.0
346.17493	7.4
347.18832	2.6
353.06873	6.4
365.06500	1.6
383.07852	5.5
455.09833	18.5
456.10159	2.3
473.11072	8.3
489.21100	5.2
575.14075	15.0
575.45831	1.2
576.14410	2.8
593.15076	28.0
594.15564	3.2
669.28320	1.7
711.28693	50.0
712.28735	6.6
755.23560	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	755.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	16.1
71.01382	6.8
71.43018	1.0
73.02955	15.9
83.01395	3.4
83.78395	1.1
85.02940	1.9
89.02467	1.9
91.38284	1.2
101.02454	8.9
113.02480	5.4
117.03456	6.4
124.86341	1.3
129.00923	1.1
133.03004	5.3
133.21678	1.0
135.03625	1.5
135.04552	16.3
148.45314	1.2
161.02457	13.0
161.04546	1.4
173.02379	1.6
173.06055	1.1
179.03557	6.8
217.01450	1.4
225.03032	1.1
269.11823	5.3
270.46045	1.4
283.09836	3.0
283.12997	1.4
297.07693	3.4
301.14481	18.7
306.05392	1.6
307.06073	3.0
313.14474	1.7
325.07043	2.2
327.12576	1.8
327.15903	7.7
329.13837	2.7
335.05615	19.3
336.06165	1.4
343.15567	1.8
344.16525	5.4
345.17081	100.0
346.17493	7.4
347.18832	2.6
353.06873	6.4
365.06500	1.6
383.07852	5.5
455.09833	18.5
456.10159	2.3
473.11072	8.3
489.21100	5.2
575.14075	15.0
575.45831	1.2
576.14410	2.8
593.15076	28.0
594.15564	3.2
669.28320	1.7
711.28693	50.0
712.28735	6.6
755.23560	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	755.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01385	24.3
65.00321	1.0
70.02663	1.8
71.01391	8.0
73.02948	7.3
83.01404	1.4
85.02964	5.8
89.02474	2.7
89.48547	0.7
92.02177	0.7
95.01408	2.2
96.96042	2.5
97.02961	1.9
101.02456	9.0
113.02451	11.6
119.03604	1.8
125.02464	0.7
131.03558	1.6
133.02937	0.8
136.98891	1.4
143.03517	1.3
151.63878	0.8
161.04597	2.1
164.98260	1.5
201.05492	0.9
202.06381	2.8
246.09148	0.9
251.49931	0.8
264.15903	0.8
269.04520	2.1
269.11835	3.1
270.04987	1.1
270.45416	0.7
271.06067	1.1
285.15012	19.9
286.15344	1.0
311.16528	6.1
313.14447	7.7
314.15121	1.0
329.17578	47.3
330.17990	3.3
345.17087	2.1
371.18762	1.1
373.16592	8.5
388.18909	12.5
389.19711	100.0
390.20038	5.9
431.41098	1.1
533.24048	3.8
551.24988	1.1
695.29004	5.2
713.29944	3.6
755.31354	47.3
756.31921	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	755.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	34.0
61.98833	19.9
69.55838	6.1
71.01376	12.7
73.02966	1.9
79.73109	1.5
82.96986	1.5
85.02962	5.0
86.81669	1.3
89.02444	11.7
96.96030	4.0
101.02446	10.5
113.02480	5.6
119.03492	4.9
119.05041	2.6
131.34679	1.4
133.03030	1.9
135.04575	2.0
160.01683	1.6
161.04616	1.7
179.05568	2.5
182.98563	1.9
203.07149	1.5
216.19798	1.4
269.11942	5.3
283.02676	1.9
285.03772	1.5
285.11838	1.7
285.14990	27.6
292.66190	1.6
294.13989	1.6
309.24051	1.5
311.16534	6.7
313.14301	8.5
314.15024	1.6
329.17642	52.3
330.17944	3.3
345.17145	3.3
371.18381	2.1
373.16586	10.2
388.18994	15.2
389.19736	100.0
390.20023	5.3
575.25073	3.7
621.21783	2.0
651.40210	1.8
755.31439	65.4
756.32111	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	755.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	0.9
55.16248	0.6
59.01304	20.0
59.01637	2.7
59.07490	0.5
60.01654	0.6
65.00264	0.5
71.01303	10.2
71.02696	0.5
72.99266	0.7
73.02865	17.7
73.03313	1.5
83.01302	4.4
85.02944	2.5
85.61425	0.5
87.00797	1.3
89.02360	1.8
95.01333	0.7
97.02875	1.2
99.00807	0.5
101.02448	12.4
101.03429	0.6
107.04991	0.5
110.66200	0.5
113.02478	3.4
115.04070	0.5
119.03423	1.1
123.04438	1.8
125.02412	0.6
131.03482	1.1
135.04547	8.3
136.04831	2.6
143.03456	0.6
147.04550	9.1
148.04854	4.2
149.04845	0.6
153.05490	2.1
154.05859	0.5
161.04454	2.0
161.05937	2.1
162.06360	1.2
189.05489	0.5
201.05449	1.0
202.06374	2.7
215.06934	0.5
219.31261	0.5
240.06625	1.7
243.06522	1.0
244.07111	0.8
253.08650	0.8
255.06500	0.7
269.04373	1.0
269.11874	3.9
270.12582	1.2
284.14102	0.7
285.14981	24.9
286.15207	1.3
311.16553	5.4
313.14432	8.5
314.15192	0.8
325.12070	0.7
327.16083	0.6
329.17599	50.1
330.17896	3.3
345.17148	2.5
369.11096	1.2
371.18668	1.1
373.16544	10.4
374.17105	1.1
388.18976	14.0
389.19717	100.0
390.20032	6.3
533.23883	5.1
573.91656	0.5
593.21783	1.7
754.27649	0.7
755.31274	68.5
756.31799	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	755.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03449	0.8
59.01383	100.0
60.01706	0.4
71.01384	7.4
73.02950	4.0
77.80276	0.2
83.01392	1.6
85.02954	4.2
87.00883	0.3
89.02471	0.6
95.01419	0.8
97.84079	0.3
99.00921	1.3
101.02448	8.0
107.18992	0.2
111.00880	0.3
111.13345	0.2
113.02467	3.6
129.00285	0.2
132.69521	0.2
143.03534	0.2
150.06866	0.3
159.03043	0.7
161.04579	2.5
170.79657	0.2
193.59773	0.2
269.05231	0.2
291.18149	14.1
292.18503	0.3
333.19183	3.2
334.19608	0.3
389.19684	0.3
453.12299	0.2
485.47903	0.2
711.39771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61600	3.5
61.98833	4.6
70.17986	7.2
71.80659	3.1
96.95998	5.6
99.54827	3.7
104.81504	4.0
105.98910	4.2
119.05019	6.2
150.06883	50.4
154.32518	3.4
163.07616	10.8
164.08426	14.1
179.10805	27.5
237.87534	3.9
266.97540	3.7
284.75662	3.5
301.27789	4.0
327.21838	20.4
387.19214	11.6
496.17139	3.5
506.32242	10.7
507.33286	28.9
711.39740	100.0
712.39984	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	755.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73845	0.4
56.91311	0.5
59.01372	1.8
60.44363	0.4
69.09716	1.0
69.10123	2.1
71.01392	0.5
71.05037	0.5
84.04550	0.5
85.03018	0.6
91.45428	0.4
97.06590	0.5
109.06558	0.5
111.04494	0.6
119.05057	0.5
123.08150	0.7
135.08188	0.8
136.05356	0.4
137.06065	0.6
139.07652	0.7
139.11325	0.9
149.06145	2.7
150.06874	60.7
151.07335	1.5
161.09697	1.0
162.06892	2.0
163.07657	9.1
164.08441	18.3
165.08865	0.8
177.09286	1.0
178.10016	1.1
179.10785	32.3
180.11191	0.7
185.11845	6.6
214.12086	1.5
283.02496	0.6
291.19711	0.7
306.18176	0.8
307.19409	0.6
309.20844	1.3
325.23849	0.8
327.21786	23.0
328.21884	0.7
350.21115	0.6
378.94278	0.6
489.32272	5.1
492.30643	2.2
506.32498	4.3
507.33276	33.8
508.33569	2.1
521.35083	0.8
549.34302	0.7
669.38666	2.1
711.39630	100.0
712.39984	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	755.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79369	2.9
59.01376	9.5
61.98827	7.3
64.97288	2.7
69.51260	10.5
89.02507	3.3
96.35876	3.2
96.96004	7.4
119.05042	7.2
125.09785	5.8
149.06105	6.1
150.06886	100.0
155.74197	2.8
163.07637	19.0
164.08464	14.3
171.10303	50.1
178.10001	5.0
179.10779	41.0
180.23636	3.2
265.30399	3.1
300.66776	3.2
309.20682	13.0
315.88168	3.3
320.19913	18.7
334.21503	14.9
335.22314	82.9
336.22705	4.2
419.49686	3.5
488.31287	3.6
489.32111	23.6
507.33026	3.4
693.38544	49.5
694.37384	4.4
711.39789	61.1
712.40363	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	755.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32924	0.6
59.01384	1.7
63.08704	0.6
65.00332	29.9
66.00678	1.5
71.01392	0.8
71.41811	0.9
72.66637	0.6
79.16152	0.6
81.03473	0.7
83.01399	2.5
92.99834	7.6
94.76266	0.9
95.01413	0.7
96.96004	1.7
96.99328	4.8
101.06095	0.8
108.99301	1.7
109.19603	0.6
110.00103	1.2
111.00905	1.8
113.02460	2.3
119.05041	24.3
120.05376	3.5
120.99339	3.9
121.03016	1.0
124.01646	0.7
128.07149	0.9
133.03008	4.7
135.04543	2.7
136.98825	24.4
137.06731	0.7
137.99236	0.9
139.00395	1.8
143.04967	0.6
145.02968	0.8
149.99576	0.8
152.01245	0.8
153.01978	8.0
161.02458	11.0
164.98311	94.9
165.27599	0.7
165.99095	5.8
167.03510	1.1
171.04723	0.8
181.01526	1.0
187.04039	1.8
197.06158	0.6
197.10571	0.9
199.03949	0.8
201.91072	0.6
213.05598	1.0
215.03520	3.3
223.40186	0.8
229.05170	1.1
234.76544	0.6
241.05040	1.5
243.03171	0.7
257.04572	8.1
258.04929	2.8
259.05496	0.9
285.04071	100.0
286.04419	4.5
301.03625	1.3
303.05130	87.3
304.05429	3.2
569.99457	0.8
668.51501	0.8
668.95801	0.9
753.30591	0.7
755.24158	5.1
756.23962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69549	2.2
58.40156	2.4
59.01379	7.3
61.98829	3.5
83.52261	2.7
88.98807	2.5
102.25193	2.4
155.32831	2.7
169.12360	56.0
171.10287	16.2
235.08359	4.5
243.60768	2.9
277.18723	5.1
277.21762	100.0
278.22037	3.5
541.17584	2.9
689.10315	2.9
704.41083	3.2
709.41559	8.6
727.42731	8.1
755.42584	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67781	1.3
59.01379	3.2
65.00334	1.4
66.52638	1.3
69.19096	7.2
69.19492	2.5
71.01385	3.5
78.53001	1.1
80.66463	1.1
81.03459	1.4
96.96062	1.3
98.22757	1.9
101.02460	3.2
107.01408	3.4
108.02156	7.7
109.02950	1.9
110.00112	2.8
113.02428	1.7
116.25084	1.2
120.10927	1.3
123.04529	6.2
127.71456	1.1
145.02934	1.8
151.00372	4.3
152.01138	7.6
153.01917	2.1
154.26726	1.2
163.00372	8.4
165.99081	1.8
167.03520	23.8
169.82158	1.3
171.04526	2.6
184.05325	2.9
196.05211	1.6
198.03236	2.4
209.04556	1.2
224.04822	4.2
236.96097	1.3
239.03511	12.5
267.03009	22.2
268.03784	100.0
269.04297	7.8
282.05380	10.5
283.06152	89.1
284.06458	3.9
296.05310	3.2
311.07736	50.9
312.08057	2.0
338.57300	1.3
347.18655	6.5
509.23795	5.4
546.32031	1.5
552.56085	1.4
581.13086	1.6
595.14618	59.1
596.14789	5.5
713.30225	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	59.8
65.00330	100.0
66.00662	1.5
68.99834	0.7
69.03470	1.0
71.01391	16.0
73.02952	48.7
79.28050	0.6
83.01392	10.9
85.02960	2.4
89.02447	4.7
95.01377	1.1
101.02452	31.9
107.22448	0.7
108.75932	0.5
108.99297	3.8
113.02460	9.4
119.03499	4.4
125.02477	1.2
127.05577	0.8
131.03490	3.1
135.00352	0.6
136.98817	76.9
137.56393	0.5
137.99165	1.7
141.07094	0.7
143.03511	4.5
145.06615	2.4
149.04565	6.8
155.03543	1.1
161.04562	11.7
161.32741	0.6
169.06569	1.2
171.04543	3.2
173.06055	4.7
187.42786	0.5
197.06087	3.9
199.03986	6.5
203.05627	2.2
213.05608	4.8
221.06673	4.5
241.05084	73.7
242.05403	2.1
259.06143	1.3
274.91736	0.6
285.04080	20.7
286.04416	0.8
301.03632	1.5
473.83560	0.6
556.72974	0.7
712.60999	0.8
713.04126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95587	4.9
59.01392	23.7
60.79826	4.8
65.00322	4.4
71.01378	14.3
81.03474	5.0
81.40688	4.4
83.01392	8.4
95.01402	9.9
97.02938	9.5
108.02182	14.4
109.02973	9.7
113.02463	10.5
115.92982	4.4
123.04530	12.0
134.03799	10.6
135.04539	7.3
136.98830	5.6
137.02429	12.2
145.06627	6.3
149.06102	12.4
152.01271	5.5
161.02391	8.7
162.03188	6.7
163.04033	12.3
164.98285	6.7
166.02710	12.9
167.03500	15.4
173.06068	29.5
175.03989	15.9
176.04817	12.0
177.05640	8.0
189.05653	7.8
190.02718	13.7
191.03540	5.9
197.06029	7.2
201.05569	6.5
203.03484	17.0
204.04337	21.3
205.05008	10.3
212.98743	4.4
213.05707	5.3
215.07182	5.9
217.05000	7.9
225.05534	5.7
229.08734	7.8
239.07152	6.5
241.04872	11.2
255.06561	10.3
257.08148	19.7
267.06494	9.7
269.04602	25.4
269.08099	14.4
272.08597	4.8
281.04376	5.1
281.08350	7.2
285.14938	6.5
293.04965	5.7
293.08051	5.7
295.06430	7.7
295.09833	22.7
297.07724	8.9
299.09244	10.8
307.09708	16.6
311.05615	7.7
311.09073	6.9
319.09677	6.1
321.11215	6.0
323.09167	17.7
326.06876	6.5
329.17520	8.5
330.17987	8.9
335.09244	11.3
337.10855	32.7
338.07733	6.9
341.10284	7.1
349.10730	14.1
353.10242	10.2
367.11871	16.4
389.19797	26.1
390.20163	23.0
391.20334	10.3
396.07605	4.8
427.10904	5.8
431.15146	12.5
443.15146	11.3
457.16772	7.4
473.16055	88.6
485.16516	21.7
503.17087	58.2
515.17316	15.0
517.15063	37.1
518.15363	7.9
529.14868	18.1
547.16284	22.7
559.15814	15.9
575.19220	72.8
605.20270	26.2
619.18243	93.5
620.18750	8.6
637.19269	100.0
638.20020	7.1
649.19177	57.4
650.18927	5.3
667.20361	77.3
668.20129	8.7
697.30530	5.5
721.21753	12.3
739.22156	26.5
756.31372	5.3
757.22833	16.7
757.33893	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	757.2355
Annotation	Antibiotic UCN 1028A
Peak:m/z	Relative Intensity
54.89961	0.3
56.61495	0.3
57.33907	0.4
59.01380	2.2
71.01389	1.6
71.39868	0.3
73.02955	1.0
73.40273	0.3
75.00904	0.3
81.03477	1.2
83.01396	1.0
85.02964	0.6
89.02455	0.4
89.03999	0.4
91.05527	0.5
93.03489	0.7
95.01407	0.6
95.05033	0.5
96.96031	1.0
97.02964	0.7
100.80946	0.3
101.02441	1.5
104.60557	0.3
105.03474	0.8
107.01369	0.4
107.05032	1.0
109.02937	0.6
111.00890	0.3
113.02460	0.7
117.03471	2.0
119.05020	1.9
121.02966	1.7
121.06571	0.4
123.04553	0.8
123.28323	0.3
125.02461	1.1
130.04204	0.3
131.01392	0.6
131.05045	0.8
132.15875	0.3
133.02988	0.7
133.06567	0.6
134.03752	5.5
135.04536	2.2
137.02498	0.9
137.06158	0.6
139.04015	0.6
145.02956	1.9
145.06595	0.5
145.50639	0.3
146.03711	0.5
147.04533	2.4
148.01695	2.1
149.02454	12.0
149.06085	1.3
151.03983	0.4
155.05074	0.4
157.06558	0.4
159.04518	1.2
159.80995	0.3
160.01801	0.3
161.02441	4.6
161.06099	1.1
162.03244	2.9
163.00395	0.4
163.04022	12.0
166.02718	0.6
167.03502	1.3
171.04550	0.9
171.08156	0.5
173.02466	1.3
173.06085	7.0
174.03168	0.7
175.00386	1.6
175.04012	2.6
176.01134	1.7
176.04695	0.6
177.01970	0.6
177.05597	0.8
179.03535	0.7
185.02467	0.5
185.09717	0.4
187.04114	0.8
188.01181	0.5
188.04750	0.3
189.01950	4.9
189.05659	0.7
190.02737	6.7
191.03514	19.0
192.04044	0.3
193.05064	1.0
197.04646	0.4
200.04868	0.4
201.01996	0.7
201.05559	0.4
202.02765	0.5
203.03477	3.7
204.04317	3.5
205.05045	2.4
209.04549	1.3
213.09238	0.8
214.02737	5.2
215.03293	0.7
217.01471	1.8
217.04993	0.5
218.02312	0.6
219.02905	0.4
221.04530	1.7
228.04300	0.4
229.08797	0.5
230.02249	0.4
231.03055	1.1
232.03777	1.0
233.04562	1.9
236.03369	0.4
239.05637	0.8
241.08716	0.3
245.04466	0.4
249.09134	1.2
253.08743	0.6
257.08270	0.9
262.06473	0.4
263.07242	3.7
265.08914	0.6
267.10242	1.2
269.04480	0.6
269.08307	0.6
277.08728	5.7
278.09180	0.4
279.10306	0.5
281.08221	17.4
282.08337	0.5
282.46872	0.3
283.09689	0.9
291.10291	0.8
293.08209	8.3
293.11209	0.3
294.08737	0.7
295.09753	4.7
296.06946	0.6
297.07666	0.4
299.09192	2.1
305.08191	2.1
307.09760	1.9
309.07974	0.5
309.11325	0.9
311.09332	1.1
319.09723	0.6
320.06976	0.8
321.07651	0.8
321.11218	0.5
322.08411	1.3
323.09250	100.0
324.09619	4.3
325.10696	0.5
329.10242	1.0
335.09274	5.8
336.09937	0.6
337.10809	4.2
338.11298	0.4
341.10287	6.0
349.10806	0.5
353.10312	47.0
354.10538	2.0
355.12073	0.4
364.09601	0.5
365.10297	34.2
366.10797	1.6
367.11896	1.1
371.11337	6.9
372.11850	0.3
377.10422	1.1
379.11685	0.4
383.11441	2.3
395.11377	14.8
396.11731	0.7
401.12427	2.9
407.11398	1.2
425.12427	8.5
426.13074	0.4
443.13489	47.3
444.13840	2.5
455.13428	1.2
461.14563	4.4
467.13467	1.3
473.14728	16.8
474.15240	0.9
485.14664	2.0
489.15509	0.5
491.15988	1.1
503.16980	2.2
517.15100	0.6
545.16608	2.8
547.16235	0.4
563.17609	5.2
575.19104	0.5
581.18945	1.6
593.20056	1.5
619.18164	0.5
623.21576	1.4
637.19476	4.3
649.19537	0.6
667.20581	1.7
739.22754	0.7
757.23193	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01123	0.7
59.01386	6.5
61.98804	2.1
69.16084	3.4
71.01353	0.6
73.42857	0.6
117.03401	0.9
119.05017	1.3
121.52388	0.5
132.04559	0.8
134.06113	1.8
134.48593	0.6
135.04510	1.1
145.29393	0.5
190.05182	1.7
198.09283	3.0
207.38240	0.5
225.06712	0.8
226.07524	1.1
228.09032	2.7
239.11916	11.2
241.09845	72.9
242.10191	3.2
243.11406	1.1
255.11421	1.6
256.12204	39.1
257.12552	2.4
279.11203	0.8
284.03342	0.7
300.11203	9.3
315.13531	100.0
316.13861	5.6
323.10516	0.7
337.11951	2.5
383.12018	0.6
397.14178	5.3
398.14777	1.0
532.37164	0.7
637.26666	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	757.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	57.7
61.98838	2.5
66.43435	1.9
67.34798	1.8
67.46756	1.7
71.18704	1.6
77.13149	1.8
78.95920	2.6
82.95406	4.1
89.01998	1.6
96.96032	3.8
101.02463	1.9
103.00378	2.9
106.06627	7.5
107.03802	2.9
109.99361	2.1
119.05037	4.5
122.06120	13.0
134.06134	43.6
135.04529	5.8
152.07182	4.5
157.13496	1.9
175.52725	2.1
186.05524	2.1
194.08185	3.5
225.10326	5.2
235.08568	4.2
237.10213	4.5
249.06702	2.0
249.10406	4.1
250.07433	6.9
251.08174	2.6
262.07553	2.1
263.08267	5.8
263.12048	1.9
265.09869	17.9
276.09015	5.1
277.05505	3.3
277.09875	15.0
278.07095	11.6
278.09671	2.4
283.02518	2.6
284.03186	2.7
291.07736	6.5
291.11218	3.7
292.08533	2.4
293.09360	76.4
294.09753	3.1
304.08578	2.3
305.09363	33.5
306.09924	5.5
306.19662	2.0
319.10812	5.3
325.11853	2.1
337.08069	5.6
348.21072	1.8
354.12436	2.2
368.13943	2.9
370.15631	2.5
382.11844	2.7
384.17203	2.1
396.13538	3.3
398.15024	10.6
409.85043	1.9
410.15176	6.4
411.15726	2.8
412.16843	10.0
419.18713	1.8
425.14185	3.7
430.17764	2.8
440.16223	24.3
454.17123	2.0
456.15585	3.0
458.17175	2.9
472.18839	7.9
484.15176	5.1
499.17554	2.6
500.18292	18.1
516.17914	2.1
526.16174	5.1
532.21039	10.3
544.17297	100.0
545.17505	7.8
546.22662	3.0
547.22986	1.7
553.29865	1.8
558.18573	2.0
559.19537	29.7
576.20062	24.5
577.24634	3.2
591.21863	9.1
605.24054	12.0
637.26508	10.7
649.23608	11.0
669.29297	5.5
681.25745	91.7
682.26343	8.4
713.28595	13.0
744.85028	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	757.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83945	0.9
59.01384	41.5
64.94110	1.0
71.01388	22.8
72.99323	1.3
77.95667	1.0
85.02984	5.0
85.03407	1.0
89.02456	20.1
95.01404	2.1
99.63068	0.9
101.02460	11.8
107.49580	0.8
113.02450	6.5
119.03516	10.3
134.01517	0.9
178.09038	0.9
247.72139	1.1
323.13483	100.0
324.13760	4.6
325.13675	2.2
503.87936	1.0
521.60895	1.2
733.09570	1.0
742.81073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83945	0.9
59.01384	41.5
64.94110	1.0
71.01388	22.8
72.99323	1.3
77.95667	1.0
85.02984	5.0
85.03407	1.0
89.02456	20.1
95.01404	2.1
99.63068	0.9
101.02460	11.8
107.49580	0.8
113.02450	6.5
119.03516	10.3
134.01517	0.9
178.09038	0.9
247.72139	1.1
323.13483	100.0
324.13760	4.6
325.13675	2.2
503.87936	1.0
521.60895	1.2
733.09570	1.0
742.81073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98237	0.8
59.01384	81.4
71.01378	1.3
71.12199	0.8
73.10956	0.8
74.19457	0.7
89.02480	1.4
101.02437	1.1
104.35131	0.8
140.38934	0.8
150.97879	0.7
153.07671	0.7
227.10815	1.6
283.17450	1.0
285.18732	2.5
311.16632	3.7
329.17596	100.0
330.17761	5.2
343.19312	1.1
371.18643	4.7
389.19876	0.9
485.58890	1.0
491.22900	14.4
551.24951	27.0
552.25031	2.3
653.28674	1.3
653.58636	0.9
691.18469	1.0
713.30298	69.3
714.30670	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	757.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.6
63.40612	0.5
69.38406	2.3
71.01409	2.2
73.02962	0.7
75.00892	0.7
77.02206	0.6
78.91898	28.9
82.96108	0.5
85.02954	1.0
89.02467	0.8
101.02451	1.7
113.02481	0.7
119.05069	0.7
125.16492	0.5
130.20662	0.5
135.04596	0.7
136.01634	0.7
150.03371	0.6
151.04045	0.5
158.52785	0.6
161.04529	0.6
166.01019	0.6
170.35971	0.5
201.09369	0.8
215.10765	1.2
257.15509	1.7
259.13443	0.6
269.15686	0.8
271.17072	1.9
273.18613	5.1
285.18475	2.7
287.16599	2.4
299.16571	1.8
301.03635	2.2
301.18137	2.5
303.19669	2.0
311.16385	1.0
311.70035	0.6
317.17575	8.5
329.17694	6.9
334.17834	0.7
345.17111	1.7
347.18658	100.0
348.19070	4.8
348.37650	0.6
359.18549	0.8
361.20184	1.5
389.19720	9.0
491.23166	2.8
505.18903	0.6
508.23264	0.6
509.23950	54.4
510.24399	3.4
551.25043	15.1
552.25281	0.7
595.14343	1.2
713.30310	83.7
714.30713	8.3
757.42737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	23.6
71.44053	17.5
106.60647	20.6
108.24921	20.2
138.51811	21.0
152.99657	31.3
184.36806	23.2
455.35568	100.0
757.41528	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	757.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99628	2.1
57.68163	1.6
59.01386	33.7
61.98832	3.9
68.53361	1.6
71.01382	5.8
73.02919	2.8
78.95908	3.7
83.01363	1.9
85.02937	3.0
91.99290	2.4
97.06561	1.9
99.00887	6.8
101.02420	3.3
107.06927	2.0
125.09742	5.1
127.11336	5.2
152.99629	2.4
163.11275	4.4
178.97263	1.9
181.12318	6.2
197.02798	6.3
199.13370	6.7
201.11348	46.0
201.13176	2.9
207.10240	8.5
225.11307	14.0
235.08243	5.3
243.12378	4.7
253.09294	5.0
277.21744	93.2
278.21912	2.5
325.18484	32.8
326.18964	2.3
443.19006	2.2
582.29144	2.3
721.42188	3.7
739.42224	10.0
757.43805	100.0
758.43890	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32221	0.3
59.01368	0.8
61.98846	0.3
62.22723	0.3
69.16738	0.6
69.17142	1.3
73.02321	0.2
78.95892	0.6
79.95798	0.7
133.06601	0.3
152.99582	0.6
183.01202	1.8
184.01933	0.3
197.02789	19.2
198.03558	3.5
201.11345	1.3
211.04266	1.2
212.05042	0.3
225.05936	0.3
230.02525	1.1
248.57057	0.2
267.10629	0.4
277.21820	0.8
303.86462	0.3
311.16968	0.5
323.16797	0.4
325.18463	100.0
326.18747	5.5
338.26801	0.3
441.00983	0.2
540.62610	0.2
632.52496	0.3
757.43671	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	757.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.9
61.98825	3.1
62.24479	2.3
65.15845	2.1
71.01389	100.0
86.17805	2.2
89.02474	3.4
96.96011	2.8
97.93150	2.3
98.22626	5.6
101.02486	5.0
103.62221	1.9
109.06622	3.7
112.98717	3.3
114.93412	13.8
115.00404	10.8
115.04037	2.9
125.09744	3.1
127.11275	2.7
130.24808	2.3
154.94489	2.0
171.10281	63.0
173.59526	1.9
181.12276	2.7
199.09810	7.8
201.11342	8.5
202.45352	2.1
207.10291	10.4
214.99808	2.1
225.11346	8.5
227.27739	2.1
228.85820	2.1
235.08237	5.5
236.31808	2.0
253.09291	8.9
269.32678	2.0
277.21771	92.1
278.22040	5.3
279.22638	2.5
325.18350	4.2
384.40808	2.9
397.78644	2.2
437.16190	2.3
672.45612	2.5
757.42920	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	757.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.9
59.35881	2.5
61.98829	6.9
63.87947	2.5
68.99563	5.1
71.01388	99.2
72.64000	2.8
78.95911	5.9
86.27438	2.6
87.00896	6.0
96.96024	3.7
97.93151	4.6
101.02434	5.1
111.48427	2.8
112.98696	8.9
113.02467	3.0
114.93418	25.8
115.00387	26.6
115.04008	6.4
171.10292	67.7
173.31288	3.0
199.09761	8.6
201.11348	14.5
207.10280	10.3
225.11375	9.1
235.08252	3.0
253.09227	11.4
256.37616	3.0
277.21741	100.0
278.21979	6.0
311.16946	3.1
325.18301	6.2
721.41553	3.4
746.04163	2.8
757.44104	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	758.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	9.8
68.99831	8.9
69.28790	17.6
71.52666	4.8
83.01395	4.1
95.01371	5.8
96.00900	4.4
96.99309	4.1
106.01180	4.8
110.02483	5.5
111.00902	17.0
123.00873	4.6
123.03289	5.3
127.00373	9.5
134.02481	5.0
136.00418	7.3
139.00386	9.9
151.02759	10.7
154.99889	4.4
157.06599	4.6
171.04530	11.4
173.00827	4.7
185.15587	4.2
197.06033	5.4
208.07771	3.8
224.07297	4.4
225.05597	16.6
226.08701	4.9
232.07640	4.7
236.07196	5.2
242.08221	64.7
244.07741	5.0
252.06688	4.4
253.04990	8.2
268.06125	10.0
269.04495	6.6
269.07047	5.2
270.07745	100.0
271.05862	4.6
296.05539	4.6
339.10211	5.7
376.47708	4.4
380.13019	10.0
382.14413	18.1
398.13943	18.0
434.13901	6.5
443.11346	17.8
450.13431	63.5
451.13806	9.2
454.13107	11.8
478.12878	10.8
487.10181	11.4
494.12595	5.4
522.11957	94.8
523.11945	9.7
548.09833	6.1
566.12744	5.0
740.18439	9.8
758.19128	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	759.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.1
59.01384	12.0
65.00346	1.8
71.01392	9.6
75.00895	5.0
85.02954	22.7
87.00863	3.4
89.02453	2.6
95.01413	6.9
96.96019	2.7
99.00887	7.2
103.00409	4.8
103.46860	1.5
110.00112	2.8
113.02456	49.3
115.00373	1.9
136.98863	2.8
163.00374	9.7
165.99046	2.7
167.03476	2.1
175.02493	21.4
183.65762	2.2
184.05334	3.0
196.05296	2.7
198.03287	1.7
239.03517	3.0
268.03778	100.0
269.04312	7.2
271.06219	1.9
283.02963	3.8
283.06128	78.3
284.03305	7.3
284.06332	3.7
299.05634	4.2
432.53156	2.1
459.09201	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	759.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72022	1.9
59.01394	4.5
65.00332	35.6
66.16293	2.0
69.60902	8.4
71.01392	3.0
90.38422	2.0
92.99815	4.3
96.96019	5.0
96.98685	2.0
96.99310	9.7
99.00923	2.7
113.02454	3.6
120.99334	3.8
123.69038	2.3
129.54051	2.0
130.11407	2.0
136.98804	18.6
164.98311	47.1
167.03488	4.1
170.09863	1.9
171.04582	2.9
177.99033	3.0
196.51454	2.0
199.03995	2.9
200.16530	2.0
213.20647	2.1
225.05438	3.6
234.35600	1.9
241.05107	6.2
243.06746	3.5
269.04565	100.0
270.05054	4.0
271.06119	5.4
313.07184	3.5
329.74167	2.2
589.96686	2.2
759.31335	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	759.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	2.5
69.43088	3.0
69.43484	1.4
76.73602	0.8
82.00578	1.0
83.01413	1.2
85.05647	0.7
95.01406	2.5
107.01442	1.3
108.02179	5.0
110.00096	5.9
111.00893	13.7
117.03479	1.0
119.05032	7.6
123.00916	2.2
123.04555	1.6
125.02490	2.2
133.02977	1.0
136.98831	2.9
137.02431	1.2
137.99617	1.8
139.00394	15.0
139.28546	0.7
143.05016	1.3
145.06610	0.9
151.00398	5.5
152.01233	4.1
161.02461	2.7
163.00406	1.5
164.98293	1.9
165.01956	2.3
165.99089	2.8
166.99870	3.8
167.03511	4.0
169.06628	1.0
171.04482	1.1
173.06082	1.2
185.02484	0.8
185.06157	1.6
192.00694	0.7
195.04529	1.2
197.06055	1.1
199.03949	1.1
202.29477	0.8
211.04036	1.2
213.05582	2.1
214.02805	1.0
217.05040	1.6
223.04037	3.6
225.01952	1.9
239.03554	2.5
242.02126	0.7
267.02829	1.4
283.02444	2.3
284.03217	10.7
285.04065	100.0
286.04395	7.2
429.08310	2.0
447.09354	1.8
597.12726	7.8
598.12659	1.3
759.17706	23.8
760.18134	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	759.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77135	0.3
59.01389	2.9
65.00314	0.3
69.07661	0.8
69.08080	1.4
69.22659	0.3
71.01405	0.7
73.02953	1.3
78.91892	0.8
80.91690	3.1
85.02956	0.3
93.03466	0.4
95.01402	0.7
96.96022	0.5
98.21800	0.5
101.02451	1.2
109.02957	1.5
110.00082	0.4
111.00890	1.0
113.02484	0.7
117.34357	0.3
123.00926	0.4
123.04535	0.3
127.07655	0.9
133.02968	9.1
135.04536	3.0
136.98810	0.5
137.02455	4.0
139.00409	2.8
149.02455	0.7
150.03227	1.7
153.05646	0.4
163.00401	0.6
164.98306	1.1
165.01955	3.3
165.05597	1.4
165.99081	0.6
166.99890	2.2
167.96062	0.3
171.06659	0.5
175.04016	1.1
183.04643	0.4
185.06172	0.6
187.03992	0.4
192.00677	0.9
195.06636	0.9
201.01985	0.6
201.05634	0.6
211.04036	0.8
211.34367	0.3
214.02676	0.3
215.03598	0.7
227.03525	0.8
229.05179	0.6
245.04495	0.3
255.03000	1.9
257.04684	0.3
273.04086	0.5
283.02420	0.4
301.03561	100.0
302.03925	5.9
303.04257	0.4
343.39157	0.3
351.13074	0.7
489.19049	0.8
651.24414	0.4
669.27795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98832	1.2
69.20668	2.3
69.72839	0.4
70.74093	0.4
81.60853	0.4
85.52312	0.5
86.81339	0.4
89.03979	1.2
91.17135	0.4
93.03479	2.3
105.03504	0.7
117.03480	2.9
119.04157	0.4
119.05033	1.6
121.02962	3.6
122.03758	8.0
123.04534	1.0
132.02209	5.2
133.02960	2.9
134.03752	42.7
135.04611	2.4
136.01688	1.6
137.02457	1.5
139.04034	0.6
147.04578	0.9
149.01276	0.6
149.02460	9.5
149.06097	6.7
150.03239	44.0
151.04100	2.7
160.01671	14.0
161.02405	0.8
162.03188	0.6
164.04785	1.4
165.05582	30.3
175.04019	20.7
176.04424	0.5
178.02710	8.6
179.03539	2.0
179.07147	1.0
180.04320	3.1
181.05058	1.8
192.04359	2.6
193.05070	100.0
194.05394	3.2
195.06642	13.5
207.06628	0.7
240.07968	1.2
268.07455	1.7
273.02109	0.4
279.06653	0.7
280.07397	1.4
283.09784	1.4
293.08505	0.5
295.05972	0.5
296.06949	1.0
308.06808	1.5
309.07751	1.7
311.09189	1.0
313.10770	0.8
321.07602	0.5
322.08554	1.2
323.09219	4.3
324.06375	1.5
324.09988	1.9
338.11560	1.5
339.08713	14.4
340.09097	1.5
354.11151	4.1
355.11774	0.7
369.13458	21.5
370.13712	1.0
517.18640	1.0
535.20050	0.8
583.22217	0.9
702.25714	0.5
711.24573	5.8
712.25116	1.2
759.26654	6.9
760.26898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
70.53460	1.3
76.33555	0.7
90.06378	0.5
93.03475	3.4
96.89146	0.7
98.02480	1.5
112.86993	0.6
117.03479	2.0
119.05045	1.8
121.02953	4.8
122.02494	1.0
122.02843	1.0
122.03757	14.0
123.04556	1.1
132.02196	3.0
133.02980	2.5
134.03758	40.2
135.04410	1.1
136.01602	0.6
137.02477	1.5
139.03969	0.6
145.02901	0.8
148.90546	0.6
149.02454	13.8
149.06090	4.8
150.03244	70.4
151.03827	2.2
152.03537	0.9
160.01674	5.7
164.04794	2.7
164.10204	0.6
165.05588	55.7
166.05952	1.2
175.04030	9.4
176.04329	0.9
178.02751	7.2
179.03300	0.8
179.07114	1.3
180.04288	4.4
181.05013	1.4
192.04282	1.9
193.05080	100.0
194.05414	3.8
195.06642	20.7
196.02513	2.1
218.69453	0.6
240.07910	1.6
268.07346	2.0
279.06509	1.0
280.07513	1.8
283.09842	1.5
296.06937	1.7
308.06949	1.7
309.07550	1.8
311.09256	1.2
321.07736	0.7
322.08530	1.3
323.09274	4.1
324.06372	2.1
324.10086	1.8
338.11734	1.9
339.08768	13.9
340.09085	1.4
354.11066	5.9
355.11627	0.9
369.13467	26.9
370.13791	1.7
443.88623	0.7
711.24811	1.3
714.14008	0.7
759.26770	5.4
760.26843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.1
61.98822	2.9
71.01379	3.2
73.02946	3.2
85.02960	2.2
96.96034	2.9
101.02455	2.0
113.02464	3.7
117.03479	26.5
119.05050	12.0
132.02161	4.2
132.69472	1.5
133.02975	38.7
134.03822	2.4
135.04546	34.2
145.02979	95.1
146.03337	2.6
146.06061	1.6
149.06088	1.8
161.02466	100.0
162.02765	1.8
163.04027	6.5
168.79779	1.5
175.04012	2.3
177.01981	1.6
177.05598	6.1
179.03525	21.1
193.04816	1.6
221.04578	7.6
241.09830	1.8
280.06113	2.1
285.04025	3.9
286.04498	1.5
323.07755	41.9
435.20157	9.7
469.11050	1.7
639.25378	2.1
683.24280	2.1
729.58752	1.6
759.14862	3.8
759.28790	80.0
760.29242	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42332	2.5
59.01122	4.0
59.01388	46.5
61.98830	4.8
78.95934	3.5
80.05069	3.9
95.22741	2.7
96.96007	6.9
106.06630	8.3
107.03767	3.4
108.04585	2.8
113.02444	4.0
117.03510	5.5
119.05032	6.5
121.05457	3.1
122.06147	29.4
132.02167	3.8
134.03781	9.8
134.06140	52.9
135.04529	9.7
152.07198	6.3
160.01669	13.1
161.02400	2.9
174.05608	5.2
175.03986	9.8
180.06697	2.9
188.07207	4.9
193.05103	4.8
201.11401	7.1
209.11870	31.5
211.08818	2.9
213.10307	7.9
223.08847	4.7
225.10400	5.3
226.11137	3.6
227.13051	5.0
237.10399	4.9
239.11894	12.8
241.13547	7.8
249.10413	7.2
251.08318	3.8
251.11899	4.5
252.08882	3.5
253.09901	7.5
256.20102	2.6
263.08337	6.4
264.09061	5.0
265.09824	9.6
267.11371	4.3
277.09790	7.8
278.07111	4.8
278.10480	4.8
279.07947	7.6
279.11377	3.2
284.03125	3.5
285.12515	22.1
291.07999	3.9
293.09311	30.4
293.12811	6.5
294.10083	8.0
295.10825	19.4
305.09299	5.2
306.10110	4.1
307.10864	19.2
337.08353	13.0
338.08594	3.6
339.10135	3.2
355.12793	3.0
358.15619	7.5
384.13190	4.0
397.13873	3.2
398.14963	3.8
399.15680	4.7
400.16650	12.2
412.16772	4.0
413.17258	3.8
414.18344	5.5
441.16910	4.8
442.17789	12.0
444.15659	4.8
445.21027	5.6
456.19165	5.3
460.18829	5.7
472.14813	3.2
474.20294	8.3
486.16541	6.9
501.19028	6.6
502.20291	4.5
516.21332	6.7
520.20691	5.9
545.18158	5.9
546.18872	11.2
547.23328	9.4
560.20502	31.7
565.24438	6.8
577.20459	5.7
578.21332	17.1
579.26221	4.1
591.22607	9.8
592.22949	40.6
593.23553	5.0
607.25867	21.8
608.25964	4.5
623.25183	6.2
629.31537	3.3
639.28534	13.4
651.24774	29.3
683.27234	61.2
684.27521	7.4
715.30035	100.0
716.30127	11.5
759.32001	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	759.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	36.2
71.42992	1.0
80.05064	2.9
94.06663	1.4
96.96017	1.6
104.05063	1.3
106.06639	7.9
107.03767	2.2
108.04543	1.0
120.04652	0.9
121.05357	1.1
122.06126	19.1
132.04576	2.2
134.06134	33.0
136.07697	1.3
146.06128	2.5
148.04077	1.2
148.07669	1.8
152.07198	3.7
158.05981	1.0
160.04012	1.3
160.06454	1.5
162.05727	1.0
174.05597	3.5
180.06647	3.2
186.05536	1.5
188.07152	5.9
190.05173	1.3
194.08299	1.6
197.07233	1.0
211.08794	2.1
213.10365	10.2
223.08749	1.2
223.12259	0.9
225.10345	4.5
226.10997	1.3
227.11908	3.6
235.08659	1.6
235.12407	0.8
236.09526	1.4
237.10371	2.4
238.11041	1.3
239.11899	9.4
241.13448	5.8
249.10277	2.6
250.07475	3.0
251.08215	3.1
251.11932	3.0
252.08977	1.3
253.09843	3.7
263.08191	2.6
263.11902	1.2
264.09048	1.1
265.06232	0.9
265.09848	6.1
266.10678	1.2
267.11478	5.4
277.09836	9.4
278.06946	4.7
278.10532	2.4
278.84158	1.0
279.07809	7.4
279.11380	4.1
285.12473	18.4
287.14233	1.9
291.07846	1.9
291.11298	1.1
292.08600	2.6
293.09335	19.6
293.12955	5.1
294.10019	5.8
295.10852	12.7
305.09430	5.1
306.10190	3.3
307.10876	10.8
309.12363	3.2
321.12500	1.7
328.11053	1.6
337.08344	9.4
337.11935	1.6
338.09024	1.9
339.10046	1.2
342.12411	1.9
343.13452	1.1
351.09866	1.5
355.13010	2.1
356.13956	1.8
357.14731	1.1
358.15421	5.1
365.11276	3.0
367.13272	1.7
370.15701	1.9
372.17297	2.1
384.13458	2.4
397.14139	1.9
398.15039	2.9
399.15613	1.8
400.16663	8.4
401.17078	1.1
409.14557	1.1
412.16599	3.6
413.17398	2.5
414.18076	3.2
418.17902	1.1
424.16757	1.8
426.14587	3.1
440.16037	1.8
441.16824	3.5
442.17960	7.0
443.18216	1.4
445.16180	1.7
456.19333	4.7
458.17346	1.6
460.19138	1.1
468.15601	1.7
473.19769	1.3
474.20099	1.6
485.15823	1.0
486.16605	7.8
500.18069	3.2
501.19247	1.3
502.19897	5.5
505.22348	1.6
516.21350	6.7
518.19592	1.0
528.17456	1.0
532.20660	1.5
545.18286	3.8
545.81250	0.9
546.18939	13.3
547.23779	6.5
560.11719	1.3
560.20471	25.2
561.20911	1.9
565.24310	3.8
578.21320	3.4
579.26123	1.7
582.43640	1.1
591.22626	3.2
592.23053	17.6
593.23108	1.6
607.25610	27.4
608.26373	2.6
623.24878	4.9
639.28314	28.1
640.28699	1.8
651.24652	12.9
652.25116	1.6
673.28516	1.1
683.27258	100.0
684.27600	10.9
715.29883	19.5
716.30389	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	18.7
66.23248	7.1
69.88687	22.3
70.63711	6.5
78.63793	8.5
78.95913	11.5
79.95740	9.2
106.48002	7.2
123.02850	8.1
138.10648	6.8
170.29591	8.0
176.75165	8.6
183.01251	9.7
209.11821	60.7
223.54143	8.4
226.46783	7.6
227.12866	8.9
245.29926	7.1
274.16397	8.0
277.21756	100.0
280.88983	7.6
325.18491	76.0
339.19791	15.3
551.89929	9.0
579.40277	8.1
759.41144	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96603	4.2
59.01384	5.5
61.98820	12.4
71.54047	4.6
78.95930	7.5
79.95758	5.7
99.21328	4.4
111.26575	4.0
123.11216	4.5
127.91003	4.8
171.10255	5.2
183.01221	17.3
209.11810	31.5
227.08012	4.1
227.12932	6.9
227.35707	5.0
250.02014	5.0
265.18057	4.4
277.21716	16.8
315.61279	5.0
325.18439	100.0
339.19846	6.5
369.85999	4.4
386.20502	5.3
443.94937	4.8
549.91071	4.6
739.23431	5.2
759.39496	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	759.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42329	2.0
59.01371	8.9
61.98830	10.4
69.15732	15.4
81.93642	2.4
85.02951	2.6
97.02958	18.2
98.21812	4.7
102.05473	2.7
124.49673	2.1
136.47009	2.4
137.09720	9.0
143.44484	2.1
151.04041	9.8
151.07654	13.3
152.08444	28.2
171.10234	12.2
183.47343	2.4
195.76204	2.4
208.11017	5.1
209.15477	38.7
209.17447	2.9
221.11797	2.9
247.17032	2.9
252.10130	6.0
265.18152	5.9
279.99936	2.3
291.16260	2.9
291.19693	9.5
291.75040	2.5
309.17075	58.6
309.20731	100.0
310.17377	4.5
310.21085	6.1
450.51489	2.3
483.72784	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	761.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
61.11965	0.9
65.00304	0.9
69.52742	2.1
69.53143	1.7
71.01373	3.3
72.99296	1.0
75.00869	1.1
76.73886	0.7
85.02964	7.2
87.00862	0.7
95.01402	2.2
97.83134	0.6
99.00874	2.6
102.75475	0.6
110.00101	7.4
111.00864	2.0
113.02464	11.5
115.00372	0.9
118.81448	0.8
119.05051	1.0
129.01991	0.9
137.99565	3.7
139.00389	2.2
157.73083	0.7
165.99088	7.2
175.02502	6.9
178.68604	0.7
198.19241	0.7
212.04776	0.9
214.02618	0.9
227.03429	0.9
233.89438	0.7
284.03281	25.8
285.04050	13.1
299.05618	100.0
300.05911	4.0
475.08868	36.1
476.08948	1.4
495.92194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.0
65.00317	20.1
67.75227	3.1
73.41977	2.8
78.16196	2.8
83.01412	3.3
85.02936	4.2
96.95991	3.0
111.00871	19.0
113.02439	5.9
117.03465	10.8
119.05074	3.5
136.98802	23.4
139.00386	11.7
143.05061	3.6
161.46999	3.4
164.67754	3.1
164.98338	20.3
166.95329	2.8
183.04501	15.7
185.02492	14.6
204.37383	3.1
211.03976	6.2
229.71439	3.2
239.03517	3.8
255.02988	26.2
257.04468	5.8
258.65927	3.9
268.03802	13.2
283.02533	100.0
283.05978	10.3
285.03891	3.4
301.03549	54.1
343.33392	3.5
354.13129	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	761.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50867	0.5
59.01382	2.0
65.00345	0.4
68.99826	3.2
71.01395	1.2
71.41090	0.4
74.59178	0.5
75.00900	0.5
85.02974	1.1
86.20745	0.4
86.59233	0.4
92.99820	1.3
95.01399	1.9
99.00884	13.8
101.02441	0.4
107.01384	0.6
108.02154	0.6
111.00887	5.7
113.02460	1.7
117.03474	0.7
119.05026	3.5
123.00896	16.3
123.04520	1.6
125.02441	1.0
129.44527	0.4
133.02972	0.5
136.98785	1.0
137.02426	0.6
139.00400	8.8
143.05061	0.8
144.79245	0.5
151.00406	3.2
152.01102	0.6
153.01996	0.6
161.02551	0.5
164.98267	1.2
165.99075	0.5
166.99892	2.6
167.03554	5.5
167.04951	0.7
169.06604	0.5
171.04472	1.2
175.02498	0.8
178.99936	0.5
179.05098	0.5
192.00696	0.6
194.99355	15.7
195.04643	1.1
195.99660	0.6
197.06093	0.5
199.04028	0.5
209.04568	1.1
213.05612	0.8
217.04962	0.7
223.04015	1.7
225.01973	0.7
239.03503	1.3
241.05064	0.9
255.04977	0.5
267.03070	1.2
276.87494	0.4
283.02472	0.5
284.03357	1.0
285.04062	100.0
286.04361	4.8
287.04642	0.7
299.05612	10.9
311.07712	3.1
375.00735	0.5
449.14618	7.0
461.07297	30.1
462.07617	2.6
604.72565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99188	0.7
62.12585	0.6
65.00330	5.4
68.99832	0.9
69.22840	4.5
74.38203	0.8
95.01422	2.5
96.56891	0.8
96.99308	0.9
98.21838	1.3
110.00085	2.1
111.00882	5.2
119.05002	1.0
120.99281	1.0
123.00906	1.5
124.01685	9.4
135.00883	1.0
136.01669	2.7
136.98811	5.7
139.00417	7.7
152.01160	8.4
157.06589	1.1
158.35617	0.8
164.98299	4.3
165.99055	1.3
166.99876	3.9
171.04555	1.3
171.08092	0.8
173.06102	2.8
181.06673	1.0
183.08046	0.8
185.06093	2.0
187.07710	0.8
197.06120	1.8
199.07669	0.8
201.05620	1.6
209.06102	1.4
213.05573	0.9
225.05533	3.9
227.07185	3.0
229.05315	0.8
241.05106	1.8
243.06633	31.7
244.07211	1.6
253.05087	5.1
269.04544	18.0
270.05069	2.6
271.06131	100.0
272.06439	5.8
341.06506	0.9
429.22055	0.7
429.77805	0.7
445.12494	1.5
471.10956	1.3
636.37195	0.9
684.29242	0.8
728.93109	0.8
761.18616	6.8
762.19281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93948	2.0
59.01385	55.5
60.89080	1.9
67.01904	2.0
71.01386	23.0
72.99307	2.4
74.96698	2.2
82.95444	2.4
83.01393	3.1
85.02956	7.0
89.02450	14.8
91.01923	3.4
95.01404	3.5
96.96002	2.4
99.04534	23.9
101.02439	12.4
107.01402	2.6
107.17618	1.9
108.02167	6.2
109.02959	6.8
111.00916	2.1
113.02438	7.9
119.03498	6.4
122.03726	2.3
123.00896	2.0
123.04533	18.3
125.02417	2.8
127.62695	2.1
150.03209	6.2
151.00395	13.2
152.01201	12.3
159.46770	2.1
160.01550	2.0
165.05557	2.8
166.02771	19.2
167.03516	63.0
179.05611	3.0
181.05063	16.3
189.12842	6.9
193.04956	2.1
194.02196	13.8
203.07237	4.6
207.13936	32.7
209.04568	100.0
210.04875	4.0
239.05600	8.6
239.27405	2.1
251.12889	91.0
252.13310	4.0
255.05057	2.3
269.06650	29.5
301.03470	4.5
329.08768	13.8
431.19260	64.7
432.19873	4.9
451.22531	2.1
453.13882	1.9
453.20908	2.1
581.22406	49.2
582.22479	5.0
585.19318	2.8
717.33057	2.8
761.28772	57.2
762.28680	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	762.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60091	1.4
59.01388	30.0
67.20593	1.1
68.13075	1.1
71.01399	8.6
71.94697	1.2
72.19186	1.2
73.02954	27.1
83.01402	6.5
85.02973	2.1
87.00856	1.8
89.02444	3.8
94.03030	2.8
95.01385	1.9
101.02454	18.4
105.13252	1.3
108.02203	2.9
112.19102	1.3
113.02420	4.2
123.00908	11.8
124.01671	21.4
146.03745	2.4
149.04521	1.8
154.74065	1.4
159.04541	3.7
161.04619	3.1
171.04523	4.0
172.05341	16.5
187.04036	8.8
188.04773	3.6
196.25053	1.4
214.73097	1.2
215.03535	5.1
216.04294	47.4
217.04672	2.1
257.08160	5.3
269.04544	4.2
283.06036	1.5
352.11938	100.0
353.12451	6.2
394.13101	1.4
496.15930	2.8
514.17267	5.1
596.12280	2.8
650.03833	1.7
658.21906	2.7
676.22748	4.8
718.23621	53.3
719.23773	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	762.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27421	0.2
65.00307	0.4
67.01893	0.3
73.57671	0.2
75.75300	0.2
83.01385	0.4
95.01402	0.8
107.01374	0.3
111.00897	6.2
121.02954	0.3
123.00919	1.4
125.02434	0.7
133.03014	0.7
135.04572	1.9
136.98834	1.0
137.02419	0.4
139.00394	7.1
149.02463	0.8
151.00368	1.1
157.15970	0.2
159.04518	0.2
161.02484	0.6
164.98314	0.8
165.01865	0.2
166.99872	4.2
173.06116	0.3
177.01953	1.4
178.99911	0.4
183.04515	0.5
185.06052	0.5
187.04008	0.9
188.27727	0.2
189.05569	0.6
189.84967	0.2
192.00627	0.4
193.01266	0.4
199.04100	0.3
201.02000	0.6
201.05540	1.0
203.03505	0.3
211.04001	1.6
213.05641	0.4
213.74408	0.2
215.03558	1.1
218.14006	0.3
227.03571	0.6
229.05075	0.5
233.04575	0.9
239.03505	1.1
255.03012	0.8
257.04648	0.5
259.02512	0.5
283.02631	0.7
301.03564	100.0
302.03894	4.7
355.33487	0.3
370.09219	0.5
380.99249	57.2
381.99536	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	763.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92954	0.7
59.01393	1.7
65.00341	1.5
69.51945	3.0
71.01394	0.9
82.00653	0.8
84.30317	0.7
91.55401	0.8
93.03489	0.9
94.05731	0.6
95.01443	1.3
97.03006	0.7
98.22671	0.9
99.00906	0.7
109.02956	1.8
110.00091	5.6
111.00914	2.6
113.02483	1.1
119.05054	0.9
123.00925	2.3
133.02972	9.9
133.03906	0.9
135.04556	2.2
136.98827	1.1
139.00394	5.2
141.01974	2.8
150.03268	1.9
151.00407	1.2
151.04063	1.2
164.98364	1.2
165.05658	2.0
165.99098	11.4
166.99884	7.9
168.08115	0.8
171.04523	1.3
175.04010	0.9
195.06671	1.3
198.03162	0.8
199.04070	2.7
201.02003	1.1
211.04153	1.3
225.07625	0.9
227.03522	7.7
241.05092	1.8
243.03027	1.8
251.03615	2.5
255.02988	7.9
267.02939	0.9
269.04608	1.7
271.02493	2.9
279.03000	2.4
280.03629	0.9
281.04126	0.9
295.02545	2.6
297.01025	0.9
297.03900	3.7
299.01938	2.8
315.06674	0.8
329.05115	2.6
361.23557	0.8
371.11426	1.7
387.05402	1.0
405.06476	1.2
409.05881	1.0
429.02756	0.7
431.04031	1.2
432.05157	1.5
433.05649	100.0
434.06064	6.8
440.02930	0.7
459.03656	6.9
471.03308	1.1
539.06342	0.8
583.05261	6.9
600.05615	2.4
601.06281	54.2
602.06824	4.0
612.86938	0.8
745.10370	1.9
763.11554	22.0
764.11810	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	763.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99543	1.5
68.99813	8.1
69.95076	2.4
72.11806	0.7
88.98827	1.9
92.99821	4.8
97.66640	0.9
98.21862	1.0
99.00883	48.6
100.01269	0.8
119.58291	0.8
123.00893	56.0
124.01241	1.2
139.00351	1.1
166.99843	1.2
167.05054	1.3
171.04527	2.4
182.67297	0.8
193.88562	0.8
194.99353	94.8
195.99724	2.7
204.65114	0.7
223.04044	0.8
230.80244	0.9
267.03024	6.0
280.50595	0.9
299.05603	100.0
300.05920	6.7
301.03561	15.4
419.13422	1.0
463.08902	11.9
464.09152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99559	0.6
59.01348	0.5
60.87436	0.5
62.63801	0.5
63.99572	0.5
68.99823	8.9
69.69389	1.1
69.69736	1.5
92.99820	5.7
98.21960	1.0
99.00887	50.4
111.00867	0.7
118.88490	0.5
120.42901	0.5
123.00897	55.3
124.01250	1.2
139.00433	0.7
141.01935	8.8
167.05016	1.1
171.04555	3.4
194.99359	93.6
195.04413	1.5
195.99661	2.3
223.04021	1.1
239.03543	1.0
267.02982	6.7
269.04529	1.4
285.03970	0.7
287.05609	4.0
299.05618	100.0
300.05896	4.3
301.03571	0.8
322.56577	0.6
463.08932	5.9
562.75543	0.7
762.24884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99543	1.5
68.99813	8.1
69.95076	2.4
72.11806	0.7
88.98827	1.9
92.99821	4.8
97.66640	0.9
98.21862	1.0
99.00883	48.6
100.01269	0.8
119.58291	0.8
123.00893	56.0
124.01241	1.2
139.00351	1.1
166.99843	1.2
167.05054	1.3
171.04527	2.4
182.67297	0.8
193.88562	0.8
194.99353	94.8
195.99724	2.7
204.65114	0.7
223.04044	0.8
230.80244	0.9
267.03024	6.0
280.50595	0.9
299.05603	100.0
300.05920	6.7
301.03561	15.4
419.13422	1.0
463.08902	11.9
464.09152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99322	8.0
59.01374	20.6
61.14862	7.9
65.00317	30.7
82.89936	8.2
85.02973	12.9
96.96032	9.7
113.02448	17.0
136.98824	36.5
137.15416	8.6
139.00334	9.7
167.03589	14.9
171.04477	9.1
213.05495	14.1
241.05028	19.5
269.04492	100.0
271.05972	11.2
300.78293	9.2
317.06720	21.4
445.07761	37.3
453.18134	9.7
459.25247	9.5
462.08069	10.4
771.24988	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	763.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
70.58085	0.7
71.01412	0.7
78.95909	77.0
79.93096	0.4
79.95738	1.9
89.02457	1.3
96.96021	69.1
96.96970	100.0
101.02490	0.8
115.95126	0.4
118.94624	0.5
130.10692	0.3
138.16948	0.4
144.97659	0.4
161.06294	0.4
171.52551	0.4
171.54292	0.4
179.05569	0.5
259.02206	0.7
295.46527	0.4
341.10666	0.8
372.37650	0.4
383.11804	1.2
485.15805	0.5
498.49777	0.4
578.11426	0.5
601.13635	0.8
665.21497	3.4
763.19165	7.9
764.19293	0.8
784.44183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.9
71.01382	6.6
73.02950	1.2
78.95912	71.1
79.95747	1.3
85.02958	1.2
87.00888	2.0
89.02457	7.0
96.96024	43.8
96.96974	100.0
101.02468	5.1
109.19528	0.4
113.02474	2.6
119.03512	1.0
125.02492	0.8
131.03474	0.7
143.03520	1.6
145.06230	0.6
161.04562	0.6
168.98874	0.4
179.05605	4.1
203.05646	0.5
207.05064	0.7
221.06705	1.5
259.02219	1.2
264.62274	0.6
330.92703	0.4
341.10956	3.1
383.12030	6.4
421.07248	0.8
443.14249	1.5
485.14935	1.7
503.16202	0.5
517.02905	0.6
601.14215	0.9
665.21564	14.9
666.21887	0.7
703.17621	0.6
747.97906	0.5
763.19287	6.6
764.19989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.9
66.54381	0.4
67.03232	0.4
70.58604	0.5
71.01383	2.0
78.95911	70.7
79.95762	1.9
85.02979	0.5
87.00879	0.7
89.02465	2.2
95.23082	0.4
96.96024	54.6
96.96972	100.0
99.89510	0.4
100.38955	0.4
101.02462	2.1
113.02502	0.9
134.17252	0.4
135.16608	0.4
143.03520	0.4
179.05620	1.8
179.08612	0.3
221.06689	0.7
259.02127	0.7
341.10934	1.4
374.88440	0.5
383.11914	3.2
443.14075	0.8
458.43674	0.4
485.14789	0.7
665.21436	6.8
703.17181	0.5
763.19299	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	763.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96452	0.9
55.01869	0.9
55.95350	0.8
59.01387	5.5
65.00323	1.3
66.84908	0.7
67.01917	1.1
68.99822	1.6
71.01389	11.8
73.02955	2.7
75.00881	0.9
81.03460	2.2
81.28439	0.9
83.01403	2.7
85.02969	5.7
87.00905	1.3
89.02461	2.3
91.01920	2.3
95.01415	4.1
96.96012	4.1
96.99308	1.2
97.02945	1.4
99.00898	1.5
101.02462	6.3
107.01373	5.2
108.02169	11.8
109.02961	3.5
111.00896	3.0
113.02454	5.2
119.03502	1.2
119.05031	1.0
122.03797	1.4
123.00899	25.9
123.04538	14.5
124.01675	33.6
125.02504	5.8
135.00911	0.7
136.98853	1.1
137.02452	1.1
138.03249	10.4
139.00362	2.5
139.04025	17.3
145.76138	0.8
149.02469	1.4
149.06023	0.8
150.03236	1.6
151.00398	8.2
151.03984	1.5
152.01164	17.0
153.01936	10.6
156.35057	0.8
161.02396	1.4
161.04581	1.6
163.04077	0.9
164.98239	1.0
165.01924	0.9
165.05589	1.2
166.02663	4.6
167.03510	52.9
168.03842	1.7
175.02521	1.1
181.05104	3.2
195.02968	1.2
209.04543	4.1
221.04648	1.4
269.04523	2.7
285.04086	9.1
286.04407	1.2
296.05453	6.5
297.06067	3.3
301.03528	1.2
311.07755	82.0
312.08041	3.5
370.09506	1.1
451.12494	100.0
452.12796	7.5
479.11868	1.5
588.17535	1.0
589.23328	0.9
709.27356	1.0
763.20636	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	763.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	52.2
61.98842	4.0
69.46040	10.2
71.01375	12.5
74.13406	2.2
79.56594	2.2
85.02942	4.0
85.06601	3.0
89.02444	16.4
95.05056	3.7
101.02466	8.4
101.06094	12.0
101.60286	2.0
113.02458	8.3
113.06106	37.2
115.04016	26.6
115.07642	10.2
119.03503	6.1
119.05016	5.4
119.08694	12.7
125.02491	5.4
135.04530	3.8
139.04022	35.8
143.07159	7.7
156.67534	2.3
157.05087	5.7
163.07664	47.7
179.05667	13.7
193.05109	4.5
229.16019	6.2
255.13927	11.0
257.15732	2.7
273.14987	100.0
274.15311	6.6
329.17331	3.1
347.18671	52.0
407.20746	28.8
445.22275	14.7
487.23468	3.2
505.24225	8.5
532.51776	2.4
546.08832	2.5
598.63287	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	763.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
55.74097	0.7
57.03440	2.1
59.01384	17.4
65.00290	0.8
65.48836	0.7
67.01904	1.0
68.99809	0.8
69.95912	1.1
69.96262	1.3
71.01388	13.5
72.99293	2.2
73.02942	1.6
75.00869	4.9
82.40584	0.7
82.62527	0.7
83.01383	3.2
85.02963	10.8
87.00867	1.1
89.02461	6.7
95.01395	4.8
96.96017	1.5
99.00880	5.8
101.02430	0.8
111.00894	6.1
113.02458	7.2
129.01936	0.9
131.03476	0.7
139.00374	2.3
157.01402	1.5
160.71614	0.7
169.60312	0.7
192.19397	0.8
241.05161	0.9
450.13565	0.9
453.34207	1.6
455.35416	5.7
483.34894	3.3
523.37653	1.0
537.35596	1.4
551.37311	3.8
569.38287	2.5
763.42792	100.0
764.43005	17.1
764.56049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25581	2.1
60.46512	2.2
65.58703	2.2
65.99841	2.8
68.99834	3.5
69.08017	16.7
86.02477	2.6
96.96023	3.1
98.02476	3.7
98.20108	2.5
111.00865	3.9
116.47917	2.6
135.05618	2.9
139.00380	4.8
152.96548	4.7
171.04575	9.7
198.90100	2.4
225.05579	3.2
257.02805	21.6
270.07800	5.3
274.98935	5.6
285.02289	14.5
322.07050	5.5
352.08295	7.8
390.06308	3.8
406.04117	3.5
407.04642	5.8
434.02954	3.6
478.12875	11.5
520.08850	8.1
522.11664	3.0
538.09668	7.7
556.10675	4.3
602.09515	2.7
620.10321	8.2
633.10876	7.7
638.10992	13.2
720.16876	5.1
730.16882	8.2
746.14618	17.6
764.15637	100.0
765.15686	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	764.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29348	1.1
56.78901	1.1
59.01385	17.5
61.98847	2.1
74.02444	1.5
74.99088	2.3
78.03501	3.3
81.03457	2.6
81.11375	1.1
82.02999	3.7
84.04536	3.2
86.02489	19.0
88.04047	2.2
89.00661	2.7
99.04529	4.0
101.31487	1.1
109.07695	1.2
122.02493	86.4
127.05143	4.3
127.08785	16.3
128.03552	99.1
129.03857	1.9
153.06694	10.4
156.66216	1.1
171.07768	100.0
197.05710	1.4
204.30783	1.3
209.85149	1.3
215.06702	15.8
237.13231	4.6
307.13574	1.7
425.19983	5.3
488.21024	8.7
512.23364	8.8
558.15924	1.3
635.26440	30.1
636.27087	3.3
641.27234	1.6
717.43457	1.4
746.29553	2.1
764.30750	40.5
765.31506	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	765.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38204	0.4
55.01874	1.4
57.03444	1.5
58.45057	0.5
59.01392	1.9
64.04041	0.4
69.03464	1.3
69.05041	0.4
69.14980	1.3
69.15387	1.1
71.01394	2.0
72.99295	1.0
73.02938	0.7
83.01394	0.6
85.02940	3.6
89.02450	0.5
93.03489	0.6
95.01405	2.3
97.02966	2.5
99.00882	10.3
103.00344	0.7
104.97080	0.4
111.00894	7.2
113.02464	4.5
117.03460	0.7
119.05031	3.8
123.00891	9.4
135.04628	1.0
136.98764	0.9
139.00388	7.5
140.01161	1.0
141.01952	100.0
142.02260	2.0
143.05016	1.2
153.01935	1.2
159.04472	0.5
166.99895	1.5
173.06033	0.5
175.02510	1.1
193.01909	0.5
193.03539	2.7
201.05493	0.6
235.39755	0.4
255.02856	0.5
269.04541	4.7
287.05621	42.9
288.05957	2.7
301.03555	14.1
302.03934	0.8
317.05148	1.4
401.45294	0.5
463.08875	54.8
464.09073	5.2
503.10980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02336	0.7
64.71145	0.7
65.00330	14.2
67.01881	0.8
68.99824	1.9
75.19601	0.7
79.95743	1.6
83.01379	1.3
92.99848	4.8
96.96030	2.0
108.39642	0.7
108.99277	0.7
111.00918	5.7
119.05041	100.0
119.98566	0.7
120.05386	2.4
120.95443	0.8
126.88657	0.8
130.25951	0.7
133.29413	0.8
136.98808	10.0
139.00409	0.8
143.05057	9.2
145.02985	2.5
157.06577	2.1
169.06624	1.0
185.06161	0.9
187.04021	8.8
213.05598	3.2
217.86235	0.7
221.02812	12.9
222.03307	0.7
238.26770	0.7
257.04578	32.9
258.04849	1.7
300.98486	19.4
301.03595	17.2
301.98975	1.3
302.03958	1.0
318.99597	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	765.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	40.7
61.98851	3.4
71.01392	4.5
86.10313	2.9
94.06683	4.4
96.96046	5.7
101.02442	4.0
108.04630	4.3
113.02415	4.6
116.35066	3.4
117.03492	5.6
118.06699	3.7
119.04999	9.4
122.06142	32.0
133.02994	4.6
134.06157	8.9
135.04533	8.6
136.07626	3.8
138.05638	10.1
146.06102	3.6
151.00322	4.1
160.06456	4.7
161.02429	3.2
162.05623	7.0
180.06697	9.9
188.07190	15.3
211.08804	3.4
213.10373	22.3
215.11836	4.6
229.14301	3.9
231.16138	5.0
237.10298	3.3
239.11926	23.2
241.13409	18.0
251.08426	3.4
251.11888	9.0
253.09587	4.8
265.09802	8.3
267.11459	5.5
278.10513	4.3
279.11465	7.9
281.12653	3.5
285.12491	52.3
286.12836	5.8
291.08038	3.1
291.11478	8.2
293.09335	14.0
293.12958	12.0
294.09982	6.0
299.02182	4.5
300.02805	16.0
307.10919	11.5
308.11627	8.5
309.12381	10.6
352.10516	4.9
353.11566	7.7
385.14587	3.6
388.16586	4.8
396.20654	4.0
398.15186	4.0
414.18286	14.5
429.17258	6.1
430.17691	11.7
474.16833	10.0
475.15585	5.9
490.20129	10.4
492.17969	12.1
535.23560	9.7
552.19482	6.6
553.24347	17.3
566.21320	12.7
580.22516	4.8
584.22650	5.2
595.25879	10.7
597.23187	16.3
598.24207	13.3
611.24664	7.4
613.26740	16.3
627.28302	16.6
629.26471	20.6
639.24542	8.8
645.29401	5.6
657.25531	17.5
671.27332	26.5
672.26752	4.7
689.28259	100.0
690.28430	12.5
703.29968	24.4
721.30511	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	40.7
61.98851	3.4
71.01392	4.5
86.10313	2.9
94.06683	4.4
96.96046	5.7
101.02442	4.0
108.04630	4.3
113.02415	4.6
116.35066	3.4
117.03492	5.6
118.06699	3.7
119.04999	9.4
122.06142	32.0
133.02994	4.6
134.06157	8.9
135.04533	8.6
136.07626	3.8
138.05638	10.1
146.06102	3.6
151.00322	4.1
160.06456	4.7
161.02429	3.2
162.05623	7.0
180.06697	9.9
188.07190	15.3
211.08804	3.4
213.10373	22.3
215.11836	4.6
229.14301	3.9
231.16138	5.0
237.10298	3.3
239.11926	23.2
241.13409	18.0
251.08426	3.4
251.11888	9.0
253.09587	4.8
265.09802	8.3
267.11459	5.5
278.10513	4.3
279.11465	7.9
281.12653	3.5
285.12491	52.3
286.12836	5.8
291.08038	3.1
291.11478	8.2
293.09335	14.0
293.12958	12.0
294.09982	6.0
299.02182	4.5
300.02805	16.0
307.10919	11.5
308.11627	8.5
309.12381	10.6
352.10516	4.9
353.11566	7.7
385.14587	3.6
388.16586	4.8
396.20654	4.0
398.15186	4.0
414.18286	14.5
429.17258	6.1
430.17691	11.7
474.16833	10.0
475.15585	5.9
490.20129	10.4
492.17969	12.1
535.23560	9.7
552.19482	6.6
553.24347	17.3
566.21320	12.7
580.22516	4.8
584.22650	5.2
595.25879	10.7
597.23187	16.3
598.24207	13.3
611.24664	7.4
613.26740	16.3
627.28302	16.6
629.26471	20.6
639.24542	8.8
645.29401	5.6
657.25531	17.5
671.27332	26.5
672.26752	4.7
689.28259	100.0
690.28430	12.5
703.29968	24.4
721.30511	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
60.99312	17.7
61.51666	0.4
61.98833	0.9
67.00010	0.4
69.30496	0.4
71.01386	1.3
83.22183	0.4
85.00417	0.6
87.00884	10.0
88.00417	4.4
88.01225	0.9
88.98815	100.0
89.02451	93.2
89.99189	0.5
90.02811	0.4
101.02454	1.0
113.02517	0.4
136.36116	0.4
151.67157	0.4
160.32079	0.4
187.93962	0.4
228.95009	0.5
235.08318	0.5
277.21719	3.2
278.22281	0.6
334.76678	0.4
373.29193	0.4
397.13513	6.6
398.14063	0.5
415.14615	1.5
441.20416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	6.3
59.01389	5.6
63.21834	2.9
65.00320	3.0
71.01394	9.5
74.02479	12.2
74.18851	2.9
85.02955	11.5
86.02527	6.4
86.50539	3.1
92.99814	2.9
95.01398	4.3
99.05653	8.7
113.02461	18.2
119.04980	4.1
127.94077	3.0
128.03546	32.5
135.05717	3.5
136.98877	5.8
143.04652	53.4
151.04056	3.0
164.98367	16.9
165.98721	4.4
167.01741	21.7
179.04639	10.5
210.08813	10.7
254.07790	11.3
272.06033	6.6
272.08911	100.0
285.04163	14.5
286.04370	8.8
291.60275	3.5
303.05170	13.3
304.05453	10.3
353.69128	2.9
449.23828	3.3
461.16840	4.1
493.13870	62.2
766.23315	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	767.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46786	0.4
56.27636	0.4
59.01387	0.6
79.95736	4.1
83.01342	0.4
86.43619	0.5
96.13245	0.4
96.96019	100.0
98.21880	1.1
101.83208	0.5
109.02965	1.7
110.94128	0.8
125.02453	1.4
137.02467	1.7
149.02451	1.8
151.86967	0.5
161.02400	0.5
163.00253	0.6
165.01926	3.1
165.86238	0.5
166.02766	0.9
167.03488	2.3
175.03976	0.8
190.99861	0.5
192.00572	0.5
193.01433	2.9
204.92232	1.1
206.91968	0.6
216.98114	0.7
241.05070	1.0
245.01143	0.5
267.02988	3.7
284.03210	0.7
285.04120	3.4
291.01971	0.8
297.01077	1.2
303.05185	0.8
315.01987	0.7
341.00125	3.2
345.73254	0.5
359.00821	3.8
371.10172	1.1
397.07690	2.2
447.09387	0.9
465.10217	1.0
485.04425	1.7
489.10205	1.2
503.05231	7.9
504.05389	0.7
507.11526	3.7
545.06738	1.8
559.12946	0.7
647.09058	0.9
665.10559	2.1
669.16943	2.4
701.55103	0.5
707.12189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.38168	0.5
59.01377	2.3
61.98822	0.9
65.00324	1.0
68.99802	0.9
71.01380	3.7
72.99324	1.3
75.00889	0.7
79.66462	0.6
83.01405	1.0
84.35112	0.5
85.02964	3.3
87.00869	0.9
93.03465	1.7
95.01400	3.1
96.96032	0.7
99.00887	3.7
101.02438	0.8
103.00344	0.9
104.45585	0.5
110.00092	1.9
111.00894	4.4
113.02469	5.0
115.00365	1.1
119.04258	1.0
119.05042	15.3
123.00893	2.2
124.01687	1.2
124.60375	0.6
125.02451	0.9
136.01665	0.7
136.98837	3.0
139.00375	12.2
141.01947	16.6
143.05142	0.6
145.03017	0.9
151.00385	0.7
152.01146	0.7
153.00696	0.8
153.01953	16.2
164.98288	1.0
165.99071	2.0
166.98447	1.0
166.99870	21.7
167.03545	0.6
175.02484	2.3
180.00716	1.3
181.01430	9.1
187.04166	0.7
189.05702	0.7
193.01443	2.3
201.05577	0.7
243.06721	1.0
259.06097	2.7
269.04562	2.1
285.04166	2.9
286.04810	4.6
287.05627	50.7
288.05975	1.7
317.05194	9.0
463.08856	100.0
464.09253	6.0
767.24689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40507	1.0
59.01378	4.7
64.57373	1.0
64.57732	1.1
65.00323	2.1
71.01413	1.7
73.02955	1.6
82.00593	1.4
96.95996	1.1
96.99332	1.2
101.02474	1.4
109.02955	1.3
110.00107	14.8
111.00884	3.1
124.01701	3.3
133.02907	1.4
135.65114	1.2
136.98846	2.8
137.99611	3.9
139.00389	4.2
152.01201	5.8
165.99078	12.2
166.99806	1.6
173.06143	1.4
178.99973	1.3
212.83195	1.5
225.05528	3.1
227.07141	2.7
229.05283	1.2
236.17371	1.2
243.06642	24.2
253.05054	5.3
269.04572	6.8
270.05328	15.4
271.06143	71.8
272.06488	2.7
297.04068	1.8
307.32526	1.2
313.07327	2.7
327.08640	3.1
359.15222	1.4
364.66882	1.2
387.18707	1.3
407.04590	1.5
408.04868	1.6
415.10495	1.5
419.00726	1.3
433.11447	4.0
475.12497	100.0
476.12659	5.8
517.13428	1.3
529.51721	1.3
679.18646	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	767.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.7
66.19308	3.3
70.09367	9.6
71.01384	33.4
72.99302	5.8
73.02959	3.9
74.32738	3.9
75.00874	5.4
85.02955	30.2
87.00851	6.4
89.02447	8.2
95.01394	14.0
97.02941	4.0
98.22550	4.1
99.00881	9.4
101.02457	7.7
103.00315	3.8
104.13338	3.5
113.01717	7.0
113.02454	88.7
131.03529	3.6
143.03505	3.8
147.04527	59.8
149.04514	3.5
161.04510	12.1
161.05884	3.3
163.00473	7.7
175.02393	19.3
179.05592	7.4
211.04112	5.0
221.06657	4.6
268.03781	100.0
269.04169	8.2
283.06122	96.7
284.06473	7.3
285.04074	10.7
329.12491	4.2
459.09351	8.2
470.14148	3.7
475.17786	4.6
619.22400	17.2
767.27612	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03460	1.8
59.01385	28.6
61.04772	0.7
69.03465	2.1
69.33879	1.9
69.34293	1.3
71.01385	37.5
72.99309	3.1
73.02955	4.8
75.00879	0.8
81.03458	1.7
83.01396	2.7
85.02956	14.1
85.03475	0.7
86.00119	1.5
87.00879	8.8
89.02452	11.2
94.07899	0.6
95.01421	3.9
96.96011	9.7
97.02962	3.0
99.00874	3.3
99.04573	0.8
101.02445	11.2
103.04044	0.8
103.05556	1.7
113.02460	34.0
119.03530	2.5
119.05029	1.1
122.03735	1.1
123.94919	0.6
124.01591	0.7
125.02450	5.8
127.04007	1.8
131.03517	7.4
131.05072	2.3
133.06657	0.6
134.03764	6.6
137.06108	1.6
143.03517	3.9
147.04535	100.0
148.04892	2.5
149.06078	3.7
152.04800	2.8
152.16637	0.7
154.45665	0.7
161.04582	12.6
161.06097	9.9
167.07129	3.9
173.06146	1.3
179.05629	9.3
187.07733	1.1
189.05626	1.7
197.06262	0.7
199.07646	1.0
215.07138	2.4
221.06615	5.7
224.36299	0.7
243.06592	5.1
269.04575	0.7
275.09167	1.0
291.08765	2.5
298.67993	0.6
311.11508	2.2
329.12399	4.6
329.36099	0.7
353.12613	0.9
398.87485	0.6
400.62823	0.7
420.90506	0.6
439.16229	1.1
457.17194	2.2
475.18289	6.6
545.18768	0.8
605.22491	6.5
619.22455	22.8
620.22876	2.4
745.34418	0.7
767.27692	59.7
768.27997	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	767.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99026	1.2
60.99314	16.5
61.98820	0.6
63.31953	0.6
69.26582	2.2
69.26975	1.1
82.95432	0.8
87.00870	0.9
88.98815	100.0
89.02449	9.5
89.99095	0.8
95.37875	0.8
96.95992	0.9
98.22637	1.2
110.87061	0.7
117.03503	1.2
119.72037	0.7
156.77187	0.7
216.36581	0.8
220.69894	0.8
265.14853	1.2
380.12195	0.7
397.13773	0.9
542.72913	0.8
631.95648	0.9
691.35339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.99311	16.0
69.08784	0.8
69.09203	0.5
78.31602	0.2
82.59740	0.2
87.00900	0.9
88.00406	0.7
88.98814	100.0
89.02451	4.8
89.99152	0.4
98.22634	0.3
107.70291	0.2
113.02469	0.2
135.04539	0.3
186.69580	0.2
328.91458	0.2
554.87964	0.2
677.50146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.6
65.86327	1.9
67.01891	2.2
69.15973	12.1
75.00900	1.9
77.03990	2.1
78.95913	3.8
79.01927	2.1
82.13183	1.8
83.01389	2.7
85.02959	2.6
87.00891	2.4
93.03474	4.3
95.01403	2.2
97.02927	2.4
108.02198	18.6
109.02958	4.8
111.00855	3.9
112.93810	2.9
121.03011	11.9
123.00901	5.1
123.04507	12.0
125.02463	2.4
135.00937	2.5
137.02455	20.8
139.00362	2.5
139.04013	4.1
145.88641	2.1
148.01663	2.4
149.02461	28.9
151.04074	3.7
163.00401	6.7
164.01166	10.6
165.01933	47.6
167.03491	8.8
172.99588	4.4
188.04694	2.3
189.01950	3.8
190.02835	2.5
190.99870	7.9
192.00623	4.1
193.01448	30.2
215.03575	3.5
216.04320	4.7
231.06610	15.5
233.04578	2.3
248.96687	2.3
258.05206	3.5
273.07617	3.4
283.02573	3.6
284.03317	23.8
285.03726	3.2
297.00436	2.0
299.05615	47.3
311.03940	2.1
317.06659	62.3
318.06802	2.4
329.13998	2.1
337.15076	4.3
341.06693	13.6
366.99243	2.0
397.07675	15.8
427.10349	2.2
503.11877	6.0
521.13043	100.0
522.13068	9.4
633.99884	2.2
649.43048	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	769.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.6
65.86327	1.9
67.01891	2.2
69.15973	12.1
75.00900	1.9
77.03990	2.1
78.95913	3.8
79.01927	2.1
82.13183	1.8
83.01389	2.7
85.02959	2.6
87.00891	2.4
93.03474	4.3
95.01403	2.2
97.02927	2.4
108.02198	18.6
109.02958	4.8
111.00855	3.9
112.93810	2.9
121.03011	11.9
123.00901	5.1
123.04507	12.0
125.02463	2.4
135.00937	2.5
137.02455	20.8
139.00362	2.5
139.04013	4.1
145.88641	2.1
148.01663	2.4
149.02461	28.9
151.04074	3.7
163.00401	6.7
164.01166	10.6
165.01933	47.6
167.03491	8.8
172.99588	4.4
188.04694	2.3
189.01950	3.8
190.02835	2.5
190.99870	7.9
192.00623	4.1
193.01448	30.2
215.03575	3.5
216.04320	4.7
231.06610	15.5
233.04578	2.3
248.96687	2.3
258.05206	3.5
273.07617	3.4
283.02573	3.6
284.03317	23.8
285.03726	3.2
297.00436	2.0
299.05615	47.3
311.03940	2.1
317.06659	62.3
318.06802	2.4
329.13998	2.1
337.15076	4.3
341.06693	13.6
366.99243	2.0
397.07675	15.8
427.10349	2.2
503.11877	6.0
521.13043	100.0
522.13068	9.4
633.99884	2.2
649.43048	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	769.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45213	0.9
59.01378	7.3
60.99318	2.4
69.20522	6.6
71.01389	6.4
77.03961	1.1
85.02962	5.0
87.00878	1.5
88.98809	16.2
89.02466	4.3
89.03961	1.1
93.03480	4.7
95.01405	1.9
98.21880	2.1
101.02464	1.1
105.03486	1.5
113.02472	7.4
117.03474	29.2
132.02187	3.1
133.02972	35.0
134.03773	8.3
135.04552	9.6
137.48682	1.1
145.03027	1.2
161.02458	90.8
162.02885	2.2
163.04021	2.5
173.02440	15.4
177.05716	1.2
179.03510	3.6
185.02478	3.1
187.04045	5.8
189.01895	6.9
193.05017	1.6
195.98666	1.1
197.02495	3.7
199.48515	1.1
215.03532	8.0
217.01433	5.2
241.01434	1.8
251.07144	1.3
257.04388	1.3
293.04434	1.7
305.04623	10.5
306.05350	10.6
307.06128	12.9
335.05624	100.0
336.05966	6.3
341.13821	1.3
353.06546	2.2
359.14859	6.1
365.06534	2.3
383.07858	1.6
455.09857	98.5
456.10098	6.5
575.14063	94.3
576.14355	8.9
593.14832	6.6
607.22223	2.2
769.25842	32.8
770.27094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00238	1.2
65.00324	1.8
65.99839	2.8
70.14607	2.9
98.21887	1.5
101.18593	1.3
110.02483	2.9
116.01904	1.5
123.03279	2.0
134.02458	5.1
135.03279	5.8
136.00401	4.2
138.02040	1.7
151.02768	3.4
158.02484	1.8
160.71390	1.5
167.70709	1.4
178.86774	1.4
192.03065	3.0
202.01486	5.1
224.07149	2.0
228.06642	2.0
242.08252	37.4
243.08566	1.5
244.02490	10.6
268.06165	6.1
270.07721	100.0
271.08105	3.0
296.42566	1.3
306.07642	4.8
308.09329	3.8
314.39026	1.4
322.98758	1.5
334.63864	1.4
348.08804	34.1
349.09097	2.4
358.64252	1.6
454.13028	23.1
601.16364	1.8
637.66815	1.6
707.20532	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2556
Annotation	Ecteinascidin 770
Peak:m/z	Relative Intensity
57.03417	1.2
59.01386	11.1
69.95039	2.2
71.01392	10.2
72.05008	0.8
73.02953	1.0
78.14555	0.6
83.01424	0.7
85.02947	7.8
87.00887	1.0
89.02460	5.5
95.01399	2.8
98.21999	1.1
101.02457	2.9
101.87708	0.7
105.03470	1.0
113.02459	13.6
117.03490	1.4
123.04513	0.7
131.03534	2.0
132.02162	3.2
133.02971	42.0
134.03780	3.9
135.04549	11.6
135.94244	0.7
143.12827	0.8
149.06039	1.3
152.04703	0.6
160.01659	2.0
161.02454	100.0
162.02777	2.6
175.04018	2.2
179.03503	6.7
193.05061	1.1
248.98453	0.8
269.04614	1.8
287.62564	0.7
593.20599	1.1
607.22052	1.2
637.21790	1.3
769.25604	68.3
770.25983	6.8
800.76831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.9
71.01384	6.7
85.02957	5.2
88.07659	1.1
89.02434	3.7
95.01381	1.3
98.22690	3.3
101.02425	1.8
101.18340	1.2
113.02454	7.1
117.03458	5.0
119.03487	1.2
127.92072	1.2
132.02162	3.3
133.02975	40.9
134.03700	4.1
135.04523	8.6
161.02467	100.0
162.02727	2.0
179.03467	2.9
189.01926	1.9
189.64012	1.2
197.64528	1.3
215.03450	1.9
229.53958	1.3
306.05347	1.9
307.06146	2.7
335.05634	14.1
336.06009	1.9
402.09134	1.1
455.09952	15.8
575.14020	15.3
576.14771	2.7
593.15198	1.8
607.22949	2.8
769.25690	44.5
770.25677	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	769.2562
Annotation	Ecteinascidin 770
Peak:m/z	Relative Intensity
57.03445	1.8
59.01384	14.0
71.01385	13.7
72.99285	1.5
73.02967	1.1
75.00883	1.2
79.63504	1.5
85.02961	17.0
87.00885	1.7
89.02453	6.5
95.01366	4.0
101.02435	3.7
113.01716	1.9
113.02458	25.9
117.03487	2.7
119.03475	1.6
122.63219	1.2
123.04526	8.9
131.03481	4.4
132.02193	18.3
133.02921	2.3
134.03749	33.7
135.04532	24.0
149.06075	3.7
153.05598	12.1
160.01669	60.7
161.02469	10.9
175.04005	54.6
178.02740	2.7
179.03413	1.8
191.05644	2.2
193.05072	24.5
297.09741	1.5
315.10706	2.4
331.87692	1.1
359.15179	2.3
392.68723	1.0
461.16605	3.7
485.05740	1.4
575.20361	2.7
593.21082	16.1
631.15802	1.3
637.21588	3.1
769.25592	100.0
770.25848	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	769.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.1
59.01384	75.9
69.03460	4.3
69.95387	2.9
69.95750	4.2
71.01385	52.5
71.13580	1.6
72.99317	2.2
73.02942	5.3
80.96553	2.5
83.01384	2.4
85.02953	12.8
87.00890	7.4
89.02451	51.0
95.01401	6.3
96.96037	3.8
97.02955	6.1
99.00921	2.3
101.02451	24.9
105.60931	1.8
106.97972	1.8
110.82671	2.0
111.00901	1.8
111.49532	1.7
113.02451	21.2
119.03491	13.1
121.03014	1.7
125.02479	13.6
131.03522	6.5
134.03770	5.0
139.00360	2.6
139.03951	2.1
141.01891	2.3
143.03442	3.8
149.04610	1.8
149.06041	2.6
161.04584	5.2
179.05637	15.7
221.06625	10.3
245.04770	2.1
274.12808	2.1
284.03134	3.0
285.04092	16.4
289.07623	2.5
299.05579	2.8
310.97025	2.1
329.14157	1.8
355.01135	2.0
364.99866	14.6
405.33783	1.8
414.14926	1.9
473.16846	3.4
491.17664	4.2
521.28735	2.0
637.23590	14.9
769.27820	100.0
770.28113	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	769.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03453	2.5
58.00595	0.4
59.01384	26.9
69.73327	0.4
69.73656	0.8
71.01386	28.1
72.99307	0.4
73.02952	1.6
75.34908	0.3
79.62965	0.3
83.01395	1.0
85.02956	20.7
87.00880	3.1
89.02448	13.4
89.03007	0.3
95.01397	9.2
95.02020	0.5
96.96027	0.3
97.02952	0.4
101.02442	7.3
113.02457	45.3
114.02825	0.7
114.27518	0.3
119.03495	3.1
127.04008	0.9
131.03508	5.8
134.03760	4.5
137.06133	0.5
143.03497	1.2
145.84521	0.3
149.04730	1.6
149.06062	2.4
152.04788	0.7
161.02483	0.5
161.04552	2.9
167.07144	0.7
176.02831	0.4
191.05626	2.9
226.70110	0.3
233.06697	0.5
279.53751	0.4
311.11206	0.3
323.13501	1.6
329.12576	1.3
334.76544	0.3
475.18408	4.6
502.22412	0.4
505.28055	0.5
607.22449	100.0
608.13080	0.4
608.22693	6.0
739.19580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82682	0.4
68.99806	1.5
69.69047	1.3
73.48882	0.4
85.98418	0.4
95.01363	1.2
99.00891	0.7
104.88599	0.5
111.00891	5.1
115.36311	0.4
119.05023	2.2
123.00871	1.4
125.02435	1.0
135.04469	0.7
136.98877	0.8
137.02499	0.5
139.00380	9.0
141.01965	4.4
145.02982	0.7
151.00348	2.8
161.02400	1.2
166.99878	1.9
169.06616	0.7
171.04565	0.7
173.06039	0.7
185.06062	0.8
192.00671	0.5
201.05597	1.4
202.05884	0.6
213.05638	0.7
217.04993	1.0
223.03983	2.7
239.03365	0.7
241.05035	0.5
257.04581	0.6
267.02863	1.1
284.03140	0.8
285.04065	97.0
286.04443	3.3
299.05582	1.2
302.50418	0.5
303.05167	3.0
364.99731	100.0
365.99991	3.5
379.01437	1.3
479.08429	2.4
637.07324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01687	0.3
59.01384	6.2
61.90551	0.3
62.49372	0.3
69.29829	1.7
71.01395	0.5
80.21719	0.3
84.34376	0.3
95.01357	0.3
95.05054	0.4
109.02969	6.9
121.06640	0.4
132.02197	0.4
133.02983	22.9
134.03592	0.3
135.04541	0.8
137.02448	0.4
145.06610	1.2
149.06122	1.4
151.04039	0.6
161.02425	0.9
163.07689	0.8
173.06091	2.2
175.04047	2.2
177.01903	1.5
187.03986	0.4
189.01974	0.5
189.05588	0.9
190.02673	0.4
191.07170	3.8
193.05078	0.7
193.08742	0.6
201.01952	0.7
203.03558	0.6
205.05151	0.6
217.05096	5.9
227.03490	1.0
229.05107	0.9
241.08676	0.6
243.06435	0.3
245.04590	0.4
253.05057	0.5
254.05869	0.4
255.06824	0.5
255.10297	1.3
256.03943	0.6
257.04471	0.8
265.08759	0.5
269.04611	1.0
269.10379	0.4
271.06207	0.4
273.04279	0.4
274.04727	0.5
280.03882	0.5
281.08206	3.1
283.09991	1.5
297.07751	2.2
298.04834	1.2
299.05991	0.5
299.09280	2.2
309.07755	7.2
311.11456	0.6
325.10913	0.8
327.08768	22.7
328.09100	1.3
335.09610	0.4
353.10330	4.6
354.10828	0.4
371.11389	100.0
372.11752	7.1
415.10413	1.1
490.97681	0.4
727.11902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
64.87022	2.2
66.33515	2.4
71.01390	45.1
72.99311	2.9
73.02953	49.0
73.90869	2.3
76.98033	2.8
78.97721	2.8
82.64897	2.1
83.01409	15.5
85.02966	11.9
89.02449	22.1
94.92523	23.6
95.01380	6.2
97.02961	3.7
101.02450	41.9
109.02953	3.4
113.02452	32.2
114.61053	2.7
116.97259	4.9
118.96992	3.2
119.03534	10.3
119.05035	52.5
125.02411	4.8
134.93869	4.2
136.93579	26.2
137.02444	6.8
137.06071	19.4
139.04005	6.9
143.03526	3.2
161.04613	15.9
163.00450	2.9
165.01967	14.5
219.06450	5.7
221.06731	3.9
257.04587	5.7
281.10321	66.5
282.10614	4.2
283.02335	3.1
299.11478	13.7
303.08405	9.1
321.09546	27.4
341.12442	78.8
342.12805	4.1
363.10599	22.2
364.10989	3.0
387.09293	6.7
505.10275	3.3
528.84882	2.8
623.93799	2.6
643.57971	2.8
680.23889	2.8
732.58289	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.8
62.03727	0.3
71.01394	1.6
73.02953	5.2
76.53001	0.3
82.65757	0.3
83.01411	1.2
85.02959	0.5
85.31972	0.2
89.02474	0.3
96.96027	0.7
99.00894	0.3
101.02454	3.2
113.02464	1.1
114.85889	0.2
115.92080	0.3
119.03535	0.3
149.04608	0.3
161.04610	0.7
164.98297	0.3
167.03499	0.4
217.05106	0.5
218.05829	0.3
261.07748	1.4
262.08441	0.6
263.09387	0.4
269.04709	0.5
271.06122	0.4
285.11356	1.0
286.12106	0.8
300.13721	0.6
301.14456	4.7
302.14786	0.4
313.11057	0.6
313.14468	0.8
315.12421	0.7
327.16019	2.4
329.13959	3.8
330.14777	0.9
331.15610	0.3
345.17081	45.0
346.17496	3.5
361.16461	0.4
389.16022	4.9
403.17642	0.8
404.18387	4.1
405.19202	100.0
406.19516	8.1
410.72626	0.3
549.23450	3.6
771.30853	17.7
772.31360	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16290	0.3
70.18256	0.4
70.18581	0.7
71.07424	0.3
77.51615	0.3
79.95727	2.1
87.45593	0.3
94.51875	0.4
95.95239	0.6
96.89940	0.3
96.96019	72.9
113.62407	0.3
143.10837	0.3
265.14801	100.0
266.15131	2.4
412.09842	0.4
458.56403	0.4
503.82864	0.3
529.62640	0.3
558.93158	0.3
565.92871	0.4
606.77393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43468	0.1
71.43913	0.2
79.95711	1.8
80.66252	0.1
92.56592	0.1
95.95281	0.4
96.96020	74.4
100.34648	0.2
115.41636	0.1
134.25508	0.1
165.18552	0.1
265.14804	100.0
266.15121	2.4
266.17780	0.2
270.40018	0.1
337.14325	0.1
391.35532	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	772.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84063	5.8
57.74192	4.9
59.01369	18.9
65.00317	9.1
69.03467	33.7
70.54012	8.0
80.97256	4.9
83.01395	6.4
88.12885	6.3
91.70380	5.6
96.95983	5.5
99.92620	5.8
103.00371	8.1
110.00121	6.2
111.00883	8.6
113.02434	13.1
116.92858	47.1
133.28067	5.6
134.02507	6.7
135.03282	10.2
136.98778	8.3
137.02393	8.6
147.04521	5.6
157.01456	37.6
157.06593	6.0
171.04436	16.1
173.06082	18.4
192.03078	6.9
197.06084	7.0
199.07610	11.9
213.05457	5.8
225.05547	21.7
226.08701	6.0
239.07196	7.7
241.05145	27.7
242.08203	52.3
243.06584	48.7
267.06619	33.1
268.06140	5.4
269.04544	61.8
270.05057	11.8
270.07727	100.0
271.06137	7.8
285.07706	12.4
311.05508	11.4
312.08710	60.8
329.06686	40.0
389.45325	6.4
397.10547	8.4
415.11938	47.3
450.13397	12.3
501.11801	8.7
522.11859	16.5
582.19147	13.7
606.19446	6.8
624.20691	30.4
650.17889	8.2
668.19757	13.9
748.29468	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	772.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68085	0.2
62.67509	0.2
65.00304	0.3
79.95725	0.4
93.03443	0.2
95.01369	0.5
104.02365	0.2
107.01401	0.3
111.00171	0.4
111.00884	4.3
117.03492	0.4
119.05043	2.4
119.05852	0.4
121.02887	0.2
123.00927	1.1
125.02501	1.0
133.02975	0.4
134.01381	0.2
136.98804	0.8
137.02473	0.3
138.99312	0.4
139.00383	7.0
151.00369	3.1
161.02469	0.6
163.00381	0.3
164.98271	1.0
165.01921	0.8
165.05545	0.4
165.99046	0.2
166.99867	2.5
169.06548	0.5
171.04510	0.5
173.06030	0.6
185.06070	0.9
190.99860	0.5
192.00661	0.7
195.04521	0.6
197.06075	0.5
199.03970	0.7
209.53401	0.2
213.05608	1.4
217.05069	0.5
223.04025	2.6
224.04424	0.2
225.01929	0.8
239.03436	0.6
241.05002	0.6
242.02097	0.5
243.03033	0.4
247.51756	0.3
250.25220	0.2
257.04385	0.6
267.02991	0.9
283.02441	0.9
284.03201	0.5
285.04059	100.0
286.04376	5.2
299.05557	1.0
364.99719	98.5
366.00058	6.0
366.99768	0.3
379.01520	0.6
466.98523	0.2
499.54114	0.2
500.43195	0.2
614.53552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
69.56391	1.5
80.17310	0.3
82.25676	0.4
95.01369	0.9
111.00887	4.8
119.05043	1.8
123.00901	0.6
125.02408	1.0
136.98810	0.5
137.02441	0.4
139.00381	7.5
144.39049	0.4
151.00357	3.4
159.24721	0.3
161.02440	0.7
164.98288	1.1
165.01981	0.8
166.99910	1.8
169.06567	0.5
173.06104	0.8
178.99805	0.5
185.06012	0.5
198.51021	0.3
199.04025	0.6
203.55553	0.3
213.05605	0.8
217.05148	0.7
223.04063	2.6
225.01859	0.6
239.03519	1.2
241.05127	0.5
242.02054	0.3
257.04651	0.5
267.02994	0.6
283.02496	0.8
285.04059	100.0
286.04465	4.9
301.03479	1.1
331.15411	0.3
364.99725	94.7
366.00098	4.8
449.88272	0.4
476.36169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
60.42362	0.3
61.26501	0.3
65.00330	1.2
79.95738	1.4
82.00623	1.0
85.02971	0.3
91.01880	0.4
93.03470	0.7
108.02186	1.6
108.67159	0.3
109.02943	0.4
110.00105	11.7
111.00918	0.5
113.02495	0.2
117.03482	2.6
119.05061	2.3
123.04550	1.6
124.01641	0.3
125.02489	0.5
128.05310	0.3
133.02988	0.3
135.04488	0.4
136.98795	0.8
137.02441	1.2
137.99608	5.7
139.00348	1.1
140.01193	0.4
151.00432	0.8
152.01192	2.4
153.01949	2.7
155.03503	0.3
161.02448	4.0
163.00439	0.3
164.01126	0.5
164.98294	1.0
165.01956	0.6
165.99084	13.2
166.99817	0.5
167.03499	4.7
167.04906	0.5
169.06639	0.3
171.04541	0.3
173.06168	0.4
181.01465	1.3
183.04504	0.7
185.02446	0.5
187.03964	0.9
195.04614	0.4
199.03990	0.3
200.04765	1.0
211.04004	1.0
212.04791	2.1
213.05293	0.3
214.02711	1.5
223.03987	0.5
227.03487	0.9
228.04279	0.3
236.97873	1.1
239.03595	0.5
240.04259	1.1
241.04729	0.4
242.02199	0.4
255.03058	1.1
255.06638	0.3
256.03827	0.5
267.02954	0.8
283.02512	3.4
284.03281	54.1
285.04007	10.3
286.04379	4.5
297.06061	0.4
298.04877	1.0
299.05612	100.0
300.05954	3.5
301.03543	0.4
311.07709	1.2
326.04193	0.3
341.06674	1.2
345.17123	0.4
364.99722	8.0
366.00027	5.2
366.99786	0.6
380.99429	0.4
395.00873	0.5
443.09845	0.8
461.11053	3.4
483.47818	0.3
611.14111	35.5
611.99164	0.3
612.14349	2.9
729.30139	0.3
773.19385	4.9
774.20361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27424	0.4
65.00320	1.7
65.00652	0.4
69.57389	0.9
69.57782	1.1
73.77383	0.5
76.53801	0.4
82.00623	1.4
98.21800	0.5
100.49057	0.5
108.02179	2.2
109.02993	0.5
110.00102	13.9
117.03469	2.5
119.05071	2.3
123.04551	1.4
137.99579	6.6
140.01143	0.6
152.01163	3.6
153.01962	3.2
155.03473	0.5
161.02469	4.4
163.00351	0.8
164.01173	0.8
164.98341	0.7
165.99084	13.7
167.03497	5.1
181.01445	1.2
185.02386	0.7
187.04010	0.7
192.15334	0.5
200.04826	0.9
211.03984	0.9
212.04784	2.6
214.02716	1.2
227.03534	1.0
239.03619	0.6
240.04312	1.5
255.02931	1.3
267.03021	0.9
283.02444	3.4
284.03275	58.8
285.03662	2.3
298.04877	1.4
299.05615	100.0
300.05991	2.8
311.07837	0.9
341.06769	1.6
401.37833	0.6
433.04041	0.5
443.09756	0.6
461.10782	3.6
611.14087	32.4
612.14343	1.3
643.81055	0.5
653.15332	0.7
773.19397	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	773.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57566	0.4
56.19379	0.4
58.74807	0.3
59.01378	1.8
69.51305	1.6
70.21333	0.4
71.01377	1.0
85.02972	0.4
98.56598	0.4
109.21402	0.4
110.00098	1.1
113.02469	0.6
119.05094	0.4
122.81462	0.4
126.93500	0.4
133.02980	1.1
134.03317	0.4
135.04492	0.5
153.01935	0.4
161.02438	2.3
162.02786	1.3
163.03036	0.4
164.98291	0.5
165.99054	1.3
167.03481	0.5
217.04985	0.7
218.05865	0.4
259.66513	0.3
261.07635	0.8
262.08533	0.8
263.09128	0.4
269.04550	0.9
284.03259	4.3
285.03818	0.7
286.11978	0.4
287.12894	0.7
299.05646	8.2
300.05920	0.8
301.14490	3.2
319.15442	0.7
327.16040	1.6
329.13770	1.1
331.15558	3.3
332.15771	0.4
345.17075	9.1
346.17514	0.6
363.18146	1.9
405.19089	1.2
481.20819	0.5
509.20364	0.7
525.23438	100.0
526.23785	9.0
567.24457	0.5
611.14056	2.4
729.29871	13.9
730.30139	1.4
773.27002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57566	0.4
56.19379	0.4
58.74807	0.3
59.01378	1.8
69.51305	1.6
70.21333	0.4
71.01377	1.0
85.02972	0.4
98.56598	0.4
109.21402	0.4
110.00098	1.1
113.02469	0.6
119.05094	0.4
122.81462	0.4
126.93500	0.4
133.02980	1.1
134.03317	0.4
135.04492	0.5
153.01935	0.4
161.02438	2.3
162.02786	1.3
163.03036	0.4
164.98291	0.5
165.99054	1.3
167.03481	0.5
217.04985	0.7
218.05865	0.4
259.66513	0.3
261.07635	0.8
262.08533	0.8
263.09128	0.4
269.04550	0.9
284.03259	4.3
285.03818	0.7
286.11978	0.4
287.12894	0.7
299.05646	8.2
300.05920	0.8
301.14490	3.2
319.15442	0.7
327.16040	1.6
329.13770	1.1
331.15558	3.3
332.15771	0.4
345.17075	9.1
346.17514	0.6
363.18146	1.9
405.19089	1.2
481.20819	0.5
509.20364	0.7
525.23438	100.0
526.23785	9.0
567.24457	0.5
611.14056	2.4
729.29871	13.9
730.30139	1.4
773.27002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
56.99590	1.6
58.00601	2.6
59.01384	17.3
69.22375	5.8
71.01390	35.9
72.99312	1.7
73.02948	7.9
75.00888	1.5
83.01399	22.7
84.02178	2.3
85.02931	4.8
86.00107	1.3
87.00897	3.6
99.00888	12.8
99.08180	1.3
99.41392	1.0
101.02447	19.4
111.00676	2.7
112.01680	18.3
113.02456	7.4
115.00119	1.0
123.00661	5.2
125.02264	2.3
125.09715	2.0
127.00349	2.4
127.11308	14.9
130.49062	0.9
135.00682	5.4
139.00188	1.8
139.11382	2.3
140.00919	2.2
141.01711	12.1
141.98790	1.8
143.03490	1.3
151.00159	14.6
151.11273	1.1
153.01709	6.4
154.99617	1.1
166.99631	14.5
167.10553	21.2
167.11897	2.1
169.12378	7.1
183.02763	73.0
201.03828	2.9
209.11623	6.6
211.09547	4.2
221.11583	3.8
227.01805	3.3
233.11629	3.5
251.12682	10.4
271.15552	7.3
279.12311	1.4
285.04010	2.1
311.14789	72.4
312.14795	1.6
323.14563	1.9
329.11902	2.1
329.15836	36.2
353.15848	19.2
355.13800	18.9
355.18076	1.3
367.75491	1.0
371.16901	100.0
372.17038	3.1
373.14816	14.8
376.82526	0.9
397.14954	5.5
410.07251	1.2
413.16931	1.4
415.15665	1.6
601.30823	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.6
61.98837	0.4
69.11528	1.9
71.01395	1.0
71.95850	0.3
78.95911	12.1
79.95752	3.3
89.02457	0.3
94.70966	0.2
94.92523	0.6
94.98088	0.4
96.92221	1.3
96.96022	100.0
96.96940	14.8
97.95929	0.3
99.00889	0.3
101.02480	0.4
115.04008	0.3
116.98789	0.2
118.96703	0.6
125.02408	0.3
140.98720	0.4
154.93246	0.2
161.04602	0.3
168.98193	0.4
179.85689	0.3
200.46849	0.2
210.99216	0.3
215.41347	0.2
217.00296	0.3
277.02359	0.4
277.21759	2.0
301.02383	0.3
361.04269	0.6
375.18433	0.5
397.13672	1.6
402.01608	0.3
407.17654	1.1
415.14529	0.6
435.08359	1.9
440.99298	0.3
453.09210	3.3
593.26404	0.6
653.03241	0.3
713.30670	3.5
714.30688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.2
60.87691	4.8
61.98823	7.0
71.01392	7.4
80.01982	5.2
82.96452	5.5
83.01381	8.8
96.96030	13.7
99.18507	5.3
117.03451	10.0
119.05059	13.1
122.06106	6.4
135.04541	23.4
171.10283	6.5
209.11867	100.0
210.12207	6.8
225.73964	5.2
227.12897	20.9
238.16420	5.7
257.13046	12.2
263.07480	13.9
271.72760	5.6
277.05524	30.4
279.07669	6.0
283.02603	6.9
284.03113	8.7
285.04019	7.9
293.05838	7.9
301.11990	12.4
301.91837	6.8
308.07947	23.7
309.08676	19.0
361.16626	10.7
397.14233	8.6
445.21164	11.6
446.17029	11.4
490.16150	9.5
524.57629	6.1
577.78027	6.8
597.15497	6.0
685.29431	7.0
697.25000	13.1
773.37421	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	774.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	12.9
92.99828	2.0
93.46156	1.8
94.27548	2.0
96.99339	3.0
107.05116	1.9
136.98813	11.4
140.81030	1.9
144.11754	2.3
154.97458	1.7
164.98326	28.6
169.06621	2.6
171.04510	1.8
177.98949	3.7
206.90199	1.9
224.90541	2.0
227.03542	2.5
241.05215	3.4
269.04562	100.0
270.05002	3.7
295.98376	6.3
332.05719	2.9
384.05347	4.5
400.04697	22.7
428.19373	2.0
488.11783	2.0
504.10870	24.7
582.12305	3.6
613.44769	2.0
626.11279	9.7
702.17505	3.3
730.17297	5.9
774.16113	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	775.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17570	6.8
67.69568	7.4
69.58003	34.4
70.15596	6.8
73.38620	7.8
81.44171	7.1
96.96038	8.8
97.02986	8.2
98.21898	10.1
109.81211	8.5
111.00784	8.4
123.00870	29.0
126.23544	8.1
131.05060	9.9
145.40393	8.7
154.72656	8.5
161.06113	7.7
184.15735	7.9
205.56906	9.2
223.07639	8.4
267.06552	25.0
269.04565	19.4
329.06613	100.0
329.10443	17.4
329.14288	18.4
410.06982	7.8
429.05267	9.3
533.21515	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	775.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
63.02403	1.4
65.00329	10.2
69.43452	0.5
71.01379	1.1
83.01387	2.0
83.81300	0.5
85.02940	2.9
88.94197	0.5
93.34665	0.5
95.01399	1.3
103.00354	0.6
107.01398	6.6
111.00896	1.1
113.02448	5.2
119.04959	0.8
120.46474	0.6
133.02963	2.5
135.04480	0.5
136.98814	5.2
139.00342	1.5
147.70378	0.6
149.02455	0.9
151.00392	13.6
166.99841	0.7
169.06619	0.6
171.04523	0.8
173.06052	0.7
175.02470	1.7
175.03964	1.2
197.06084	1.2
199.03961	2.6
201.01959	0.8
211.04027	0.9
213.05563	0.7
217.05128	1.0
241.05124	7.3
267.03058	1.0
273.15121	0.6
283.02545	3.6
285.04065	100.0
286.04443	5.4
298.04868	4.9
313.07190	6.3
315.05246	0.9
343.47110	0.6
489.10693	0.9
560.87665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01323	1.7
65.00336	4.6
70.07075	1.3
71.01335	1.2
83.01323	0.6
85.02948	3.2
95.01373	1.0
96.95963	2.0
110.00004	0.8
113.02466	5.7
122.74549	0.5
133.02962	1.3
134.03656	1.5
136.98816	7.4
149.99544	0.7
160.01575	0.6
161.02522	1.1
163.00346	1.0
165.99069	1.1
166.99850	0.6
174.03227	0.6
175.02422	2.4
175.03908	0.7
188.04774	0.7
191.35019	0.5
199.03946	2.1
200.04738	1.6
200.56586	0.5
201.01881	2.3
202.02684	1.4
214.02779	0.7
215.03590	0.9
216.04140	1.8
227.03529	2.0
228.04243	2.6
230.02240	0.7
243.02896	1.6
244.03813	0.8
255.02954	1.0
263.06729	0.5
268.03796	11.5
271.02594	1.0
283.02798	0.9
283.06137	8.1
284.06268	0.7
299.01926	2.0
300.02771	97.0
301.03113	5.6
315.05133	100.0
316.05490	4.9
459.09802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96748	0.4
65.00308	1.7
69.04652	3.5
70.64569	0.4
72.43638	0.5
76.45258	0.4
77.48301	0.4
93.02370	0.5
95.01401	1.8
99.00881	0.5
107.01434	0.7
108.02155	2.7
110.00120	2.9
111.00887	11.5
123.00886	1.4
123.04531	0.9
125.02447	0.7
133.02974	1.0
134.03760	0.8
134.78455	0.4
135.04543	3.0
136.57936	0.5
136.98808	2.2
137.02470	0.9
139.00388	12.3
141.02023	0.6
149.02502	0.5
151.00420	2.3
152.01164	3.2
161.02460	1.1
164.97035	0.5
164.98210	2.2
165.01944	0.8
165.99065	1.6
166.99843	3.4
167.03589	2.6
171.04462	0.5
177.01917	1.6
178.99965	0.7
183.04529	0.6
185.06010	0.5
185.64525	0.5
187.04030	1.0
189.05592	0.9
192.00574	0.7
193.01378	0.9
195.04344	0.5
201.01878	0.6
201.05547	1.3
211.04045	1.8
213.01933	0.6
213.05574	0.6
214.02687	0.7
215.03494	0.8
217.08310	0.5
227.03571	0.8
228.04437	0.5
229.05072	1.0
233.04501	0.5
239.03586	2.9
241.01335	0.5
255.03142	0.9
258.01895	0.5
269.04385	0.6
283.02454	1.5
285.04004	0.8
299.02054	1.5
300.02762	5.0
301.03552	100.0
302.03943	2.9
366.00403	0.7
366.99799	0.5
445.07666	0.7
463.09152	0.9
525.98114	0.5
613.11945	5.1
775.17426	15.6
776.17633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.49417	1.2
61.82458	1.2
61.98840	2.9
69.08221	4.9
69.08624	2.9
80.06876	1.2
85.02977	2.0
93.03488	1.9
96.96017	1.7
101.02431	1.6
109.02993	1.5
121.02976	3.6
122.03750	2.2
128.69948	1.2
132.02188	1.7
133.02969	5.2
134.03760	8.1
135.04581	1.8
136.01662	9.5
137.02467	11.4
147.04529	3.2
148.05389	1.5
149.02486	3.8
149.06088	3.8
150.03235	14.0
151.00383	1.3
151.04022	11.0
160.01677	4.6
161.02449	4.6
163.03984	1.7
163.90222	1.3
164.04767	1.4
165.01944	79.3
165.05600	17.6
166.02658	7.2
175.04037	7.5
176.04781	7.2
177.01974	4.4
178.02727	4.2
179.03503	11.0
179.10817	5.9
179.12193	1.1
180.04291	54.3
181.05080	9.4
191.07137	7.0
192.04294	2.1
193.05066	19.6
194.05766	2.7
195.06642	87.3
196.07028	2.9
205.05167	1.2
207.06688	2.5
210.05327	13.7
220.03868	1.6
223.09766	8.6
225.07700	100.0
226.08037	3.6
235.06120	15.1
265.07266	1.7
282.08945	1.6
285.04044	2.6
295.08344	3.5
323.07773	2.5
341.10349	9.6
357.09650	2.3
357.13553	6.3
372.12033	1.7
383.11441	5.6
387.14481	19.6
389.12390	23.7
390.13077	1.9
431.13437	17.3
443.13327	1.2
491.15482	8.4
565.20782	3.0
583.22510	1.6
613.22870	14.3
614.23370	2.3
731.31494	2.2
775.27820	2.6
780.92609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.49417	1.2
61.82458	1.2
61.98840	2.9
69.08221	4.9
69.08624	2.9
80.06876	1.2
85.02977	2.0
93.03488	1.9
96.96017	1.7
101.02431	1.6
109.02993	1.5
121.02976	3.6
122.03750	2.2
128.69948	1.2
132.02188	1.7
133.02969	5.2
134.03760	8.1
135.04581	1.8
136.01662	9.5
137.02467	11.4
147.04529	3.2
148.05389	1.5
149.02486	3.8
149.06088	3.8
150.03235	14.0
151.00383	1.3
151.04022	11.0
160.01677	4.6
161.02449	4.6
163.03984	1.7
163.90222	1.3
164.04767	1.4
165.01944	79.3
165.05600	17.6
166.02658	7.2
175.04037	7.5
176.04781	7.2
177.01974	4.4
178.02727	4.2
179.03503	11.0
179.10817	5.9
179.12193	1.1
180.04291	54.3
181.05080	9.4
191.07137	7.0
192.04294	2.1
193.05066	19.6
194.05766	2.7
195.06642	87.3
196.07028	2.9
205.05167	1.2
207.06688	2.5
210.05327	13.7
220.03868	1.6
223.09766	8.6
225.07700	100.0
226.08037	3.6
235.06120	15.1
265.07266	1.7
282.08945	1.6
285.04044	2.6
295.08344	3.5
323.07773	2.5
341.10349	9.6
357.09650	2.3
357.13553	6.3
372.12033	1.7
383.11441	5.6
387.14481	19.6
389.12390	23.7
390.13077	1.9
431.13437	17.3
443.13327	1.2
491.15482	8.4
565.20782	3.0
583.22510	1.6
613.22870	14.3
614.23370	2.3
731.31494	2.2
775.27820	2.6
780.92609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41364	17.4
69.41640	100.0
75.02940	20.2
85.02242	18.7
98.22683	24.3
102.91603	20.3
521.91034	21.4
529.77393	19.7
651.66827	23.7
678.15784	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	775.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89625	0.1
69.43333	0.1
69.58694	0.4
78.64982	0.1
78.65501	0.1
78.95915	5.7
79.95752	2.9
79.96220	0.2
94.98081	0.3
96.61957	0.1
96.96024	100.0
96.96925	8.1
97.95974	0.2
98.21911	0.2
121.45224	0.1
127.87475	0.1
137.02359	0.1
200.08450	0.1
775.47125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01383	5.1
65.00328	44.5
69.03441	0.7
70.35018	1.0
70.35363	1.5
71.01387	4.6
72.99290	0.7
82.00620	0.9
85.02957	10.9
86.89321	0.6
87.00872	1.8
95.01394	2.7
98.21944	0.9
99.00878	3.3
103.00374	2.1
103.89857	0.8
108.99330	1.8
110.00102	8.2
111.00913	3.5
113.02465	23.7
115.00377	0.7
117.01939	1.3
121.02927	0.8
134.03783	2.3
136.98810	31.7
137.99597	2.8
139.00383	5.5
145.06598	1.2
151.00359	0.7
157.03105	0.6
165.99092	9.1
171.04521	1.5
173.06116	2.1
175.02505	11.4
178.99953	0.9
197.06102	1.7
199.04126	1.6
213.05525	1.3
219.34610	0.7
227.03435	0.9
241.05084	26.2
242.05418	1.6
243.06387	0.7
256.03784	1.3
271.06036	1.3
272.06415	1.1
285.04108	7.3
287.05603	0.9
299.02298	0.7
300.02762	72.1
301.03415	6.5
315.05139	100.0
316.05408	5.5
378.23236	0.9
380.99393	1.3
491.08258	6.9
537.40894	0.7
750.87555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.0
65.00332	42.4
71.01379	5.0
83.41191	1.1
85.02965	10.2
87.76131	0.9
89.02438	1.9
95.01402	3.3
96.26160	1.0
99.00895	1.4
100.00003	1.0
103.00386	1.9
110.00127	7.5
111.00896	2.9
113.02457	19.1
117.01945	1.0
134.03754	3.3
136.98831	32.5
137.99582	4.0
139.00395	4.4
165.99097	6.7
173.06090	1.5
175.02498	10.0
187.97163	0.9
197.06120	1.7
199.04010	2.7
213.05621	2.2
241.05092	26.2
242.05443	1.2
271.06168	1.1
283.02460	1.1
285.04077	7.0
287.05746	1.2
289.04239	1.1
300.02780	66.3
301.03256	3.9
303.05322	1.1
313.07715	1.1
315.05139	100.0
316.05478	3.9
319.15317	1.0
345.18484	1.1
380.99139	1.2
385.96432	0.9
415.70166	1.1
449.09628	1.0
491.08276	7.5
579.57281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02728	0.3
58.89520	0.4
59.01394	2.5
59.24320	0.3
65.00333	0.5
69.07006	2.6
71.01402	0.7
73.02943	0.9
85.02962	0.7
95.01360	0.8
99.00899	0.5
109.02957	1.6
111.00886	0.7
113.02484	1.8
116.75787	0.3
123.91672	0.4
133.02966	10.5
135.04550	3.0
136.98820	0.7
137.02470	4.3
139.00406	3.3
156.99086	0.8
163.00427	0.9
164.98334	0.9
165.01900	2.9
166.99886	1.4
171.00645	0.4
175.02570	0.7
175.04059	0.8
182.97034	0.5
192.00728	0.8
201.01953	0.4
201.05656	1.1
211.03963	0.8
212.98007	0.5
215.03656	0.4
227.03476	0.9
229.05042	1.0
239.03493	0.4
245.04541	0.5
255.02931	1.8
257.04626	0.4
283.02539	0.8
284.03308	6.7
299.02255	0.6
299.05594	5.4
301.03564	100.0
302.03931	5.0
371.53217	0.4
437.08807	0.4
475.08798	0.6
479.47208	0.4
710.75885	0.5
777.32770	0.6
781.52466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24077	0.8
63.99551	1.9
65.00307	1.0
67.08099	0.8
68.99819	9.0
79.79239	0.8
88.98830	0.9
90.22564	0.9
92.99835	5.1
96.96029	3.2
98.22720	1.5
99.00884	55.0
113.02470	1.0
123.00895	57.3
124.01241	1.9
139.00847	0.7
171.04549	1.8
175.02423	1.3
194.99356	96.6
195.04269	1.6
195.99734	2.3
211.13626	0.8
222.46265	0.7
223.04135	1.5
239.03403	1.2
262.22781	0.8
267.03036	5.9
297.59171	0.8
299.05621	100.0
300.06064	6.6
303.96707	0.7
344.90134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00521	0.7
59.01378	2.9
61.35220	0.7
69.15549	3.1
69.15945	1.4
71.01393	1.2
74.08676	0.6
75.21458	0.6
78.95910	100.0
89.02468	2.8
90.86258	0.8
101.02460	2.7
104.55754	0.7
108.90237	1.8
110.89922	20.0
110.98541	60.5
113.02467	1.7
134.00728	0.7
145.47168	0.8
179.05574	1.9
221.06607	1.2
255.14236	0.7
327.88779	0.8
341.10959	2.0
383.12051	5.0
407.34189	0.7
443.13992	1.6
458.01868	0.8
611.26642	0.8
665.21515	9.7
701.19482	1.5
730.11267	0.8
777.20520	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	777.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.4
69.16244	1.8
79.95747	2.2
93.03053	0.4
95.95225	0.5
96.96020	73.2
97.93700	0.4
100.33471	0.4
101.02527	0.5
102.77207	0.4
117.37597	0.4
119.63941	0.4
135.04521	0.5
135.39687	0.4
151.13051	0.4
265.14804	100.0
266.15091	5.1
341.69077	0.4
445.71869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96836	4.1
61.98833	10.6
71.05734	8.3
82.16579	4.6
146.07076	4.6
174.75008	4.7
201.11357	31.4
209.11855	61.9
213.60782	5.3
227.12952	16.0
235.08299	13.6
253.09320	19.6
277.21738	100.0
445.20609	7.1
513.30713	11.7
568.91614	5.1
587.44995	5.3
626.20386	6.4
777.42291	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	777.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
65.21594	0.7
67.23372	0.6
70.34753	0.7
71.01390	10.3
73.02963	2.9
73.50217	0.8
77.45626	0.6
77.51788	0.8
79.90416	0.7
83.01429	1.4
85.02974	5.7
95.01421	0.9
99.00905	1.1
101.02464	6.6
102.44508	0.7
113.02462	3.8
128.46329	0.7
150.03265	1.8
161.04617	2.5
165.05679	1.1
229.14743	0.8
239.50601	0.7
282.46960	0.8
289.16577	10.5
327.21933	2.1
331.17563	3.7
540.44867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31824	2.3
59.01387	56.4
59.71410	2.2
71.01383	6.0
73.02945	7.9
78.95924	4.2
80.91081	2.4
85.02966	6.9
89.02439	3.5
96.96025	24.7
96.96972	3.9
98.22701	4.9
98.95608	32.0
98.96284	3.9
98.96484	3.8
100.00409	2.7
100.94633	2.5
101.02451	19.6
103.67374	2.2
111.00904	3.4
113.02440	7.9
133.02971	12.9
135.04543	8.0
137.02399	3.6
139.00392	3.6
165.01910	3.3
166.99794	2.9
171.90953	2.2
175.03981	2.6
200.99750	2.5
210.12320	3.0
214.74664	2.4
237.35808	2.7
255.03093	2.9
301.03561	100.0
301.10864	3.5
302.03894	10.1
309.41327	2.5
373.18262	2.5
391.19946	2.6
433.20786	91.6
434.21188	8.0
493.72046	2.5
677.49683	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	779.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
56.67177	0.8
57.02176	0.8
57.03447	2.6
59.01386	27.8
59.03350	0.7
69.03468	1.0
71.01394	14.9
71.39803	0.8
72.99315	8.8
73.02958	1.8
75.00484	1.5
75.00883	25.4
83.01385	1.3
85.02960	18.9
87.00875	4.4
89.02456	2.1
95.01393	2.2
96.96046	0.9
99.00893	4.7
101.02449	4.3
103.00341	1.6
111.00929	1.3
112.34887	0.9
113.02464	12.5
116.01153	1.6
117.01946	1.3
117.92344	0.8
129.01941	1.3
132.04527	2.6
133.02975	1.0
157.01329	1.4
175.02528	1.0
337.23984	1.8
385.45108	1.0
589.12482	0.9
693.33405	2.2
717.33337	1.0
722.81238	1.0
735.34546	100.0
736.34863	9.1
779.33362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01722	0.5
61.98842	0.8
69.78572	0.9
69.78963	1.0
70.95196	0.6
75.00896	1.5
102.95692	0.8
103.00391	3.4
103.01511	71.4
121.93059	0.4
127.20982	0.4
533.20593	0.5
550.12720	0.5
678.43268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54720	0.5
59.01384	100.0
61.98841	0.9
75.00875	3.2
102.95719	2.9
103.00511	5.0
103.01506	69.0
135.04620	0.5
287.08502	0.6
735.45892	0.6
756.82928	0.6
806.30939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62376	0.9
57.03454	1.4
59.01389	30.1
69.28769	4.8
70.72284	0.9
71.01388	1.6
73.02951	10.8
73.97943	0.8
84.90575	0.8
85.02955	14.9
87.04534	5.6
93.07087	1.1
97.02962	8.1
97.06610	2.1
98.21910	2.3
107.05028	2.1
108.02218	5.5
109.02959	7.5
115.04004	3.9
119.05053	1.4
119.08678	15.9
121.06640	1.1
123.08147	1.3
125.02433	5.4
135.04552	1.8
135.08206	1.1
145.10220	3.0
163.07661	38.1
169.82513	0.9
175.07526	1.0
178.06355	1.9
215.10759	3.7
227.14442	1.6
229.15921	6.8
243.13994	1.9
253.12296	1.2
255.13954	7.5
273.14984	100.0
274.15424	2.7
287.16510	1.1
311.16513	8.5
329.17572	16.8
347.19095	1.3
354.39160	1.0
389.14969	1.7
389.19757	21.8
390.19666	1.0
665.99878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
59.01384	23.0
61.98835	2.7
67.01902	1.5
68.57762	0.8
68.99803	1.1
71.01389	16.5
72.99309	4.5
73.02938	1.8
75.00896	4.6
83.01376	3.8
85.02961	12.4
87.00876	1.8
89.02464	8.3
95.01396	6.3
97.02980	2.0
99.00900	5.7
101.02459	0.9
111.00893	6.5
113.02467	7.1
119.04999	2.3
122.02528	4.7
129.01967	1.7
135.04483	0.8
139.00362	3.4
157.01414	1.4
165.98982	0.9
231.94624	0.8
249.06294	1.2
285.03793	1.2
287.05847	0.9
336.17484	1.0
345.82031	0.9
353.28110	1.0
407.33392	1.7
469.33313	2.5
471.34866	7.3
499.34396	3.1
503.53571	0.9
539.36993	1.1
566.67432	1.1
567.37048	3.5
585.37830	2.4
779.42273	100.0
780.29224	1.7
780.42474	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	779.463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	1.3
70.33224	2.0
79.95773	1.6
90.36372	1.0
96.96021	81.5
97.80595	0.9
98.04276	1.0
98.96346	0.8
101.68340	1.0
103.63818	1.0
185.90192	0.9
200.88693	0.9
265.14804	100.0
266.14981	3.1
395.34799	1.0
429.88937	1.1
743.26740	1.0
796.79767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.8
63.55229	0.5
65.76344	0.6
70.03305	0.5
70.98994	0.6
73.26225	0.5
79.95764	1.7
96.96020	74.5
127.06107	0.7
157.24417	0.5
163.83089	0.5
230.72054	0.6
265.14804	100.0
266.15253	2.8
350.15695	0.6
364.58945	0.5
526.74969	0.5
628.30078	0.6
718.35077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.5
69.34991	2.0
71.01374	0.4
83.01401	0.4
86.90627	0.4
93.10336	0.3
95.01390	0.8
96.27883	0.4
103.31467	0.4
111.00900	6.6
112.56613	0.3
116.28880	0.4
123.00896	1.5
125.02466	0.9
133.03001	0.6
135.04543	2.4
136.98836	1.1
139.00377	7.6
149.02440	0.8
151.00385	0.9
159.04483	0.6
161.02507	0.6
164.98264	0.9
166.99866	4.4
171.04469	0.5
177.01964	1.4
178.99904	0.5
183.04509	0.5
184.05440	0.4
185.06047	0.9
189.05614	0.8
193.01389	0.5
201.05569	1.3
205.05115	0.4
211.04045	1.1
213.96782	0.4
214.02850	0.5
215.03545	1.1
222.13266	0.4
227.03746	0.4
233.04506	0.8
239.03523	1.1
241.01347	0.6
255.02962	1.0
257.04620	0.6
259.02551	0.5
273.04257	0.6
283.02527	1.2
301.03555	100.0
302.03891	4.9
380.99234	50.0
381.99460	3.2
485.83649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36787	0.4
58.99584	0.5
59.01384	38.6
61.98833	0.8
71.01384	3.3
73.02933	0.9
74.99097	3.2
78.03486	2.0
83.01376	0.5
85.02962	1.5
87.00883	20.3
94.03050	0.4
101.02477	1.8
102.98608	1.9
113.02464	1.1
120.86626	0.4
122.02493	100.0
123.02827	1.3
151.16570	0.4
161.04501	0.6
228.93188	0.5
249.06160	26.8
250.06461	0.6
291.07318	0.8
302.31985	0.4
385.44507	0.4
407.18799	1.7
488.21048	0.7
646.90955	0.5
647.70093	0.4
656.23419	0.4
657.25946	4.6
777.98975	0.4
780.29156	22.1
781.29364	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	781.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.3
59.01371	14.7
59.05217	2.5
61.98824	2.7
65.00313	3.3
66.15157	1.9
71.01394	12.5
72.99318	2.1
73.02950	2.4
75.00867	6.4
82.00613	2.6
85.02959	30.7
87.00887	4.8
93.03505	2.7
95.01380	10.8
99.00908	11.4
103.00394	7.4
110.00111	19.9
111.00891	4.0
113.02455	81.5
115.00443	2.1
117.01876	2.9
119.05009	14.4
123.00858	2.7
124.01677	3.0
129.02002	2.1
135.04520	10.3
136.01729	2.0
137.02472	2.2
137.99600	8.1
139.00349	8.2
152.01123	4.6
165.99109	28.2
166.99889	17.5
175.02492	62.6
180.00618	8.6
181.01437	16.4
187.48822	1.9
229.04997	2.5
269.39389	2.1
286.04840	64.6
287.05267	2.2
301.04004	3.8
301.07178	100.0
302.07431	3.9
303.05215	5.4
477.10410	32.3
478.11038	2.8
565.76129	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14362	2.6
57.03453	3.1
59.01382	100.0
71.01386	30.2
71.41403	3.9
73.02953	18.0
83.01399	10.5
85.02986	17.1
89.02451	6.5
95.01431	5.8
96.96033	3.1
97.02950	5.6
99.00887	6.6
101.02441	27.5
113.02472	19.7
124.91725	3.3
124.99848	3.4
125.02478	7.3
140.11505	2.7
143.03506	3.9
161.04564	9.9
269.04739	3.8
270.07709	4.0
313.72427	2.9
420.58484	3.4
447.27432	8.7
508.98090	2.9
591.31897	8.6
609.32751	10.0
633.32428	5.8
651.33923	56.1
652.33960	7.6
693.35071	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98828	1.5
71.42841	0.8
75.00908	1.9
96.96021	1.5
102.95689	0.8
103.00518	4.7
103.01509	69.5
141.54028	0.6
222.30283	0.9
253.09215	0.6
265.14880	1.3
399.19321	0.7
554.01270	0.8
598.64972	0.6
699.86053	0.7
765.07159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01720	0.4
61.99663	0.3
71.74197	0.4
75.00894	2.3
101.02464	0.5
103.00479	10.4
103.01508	80.4
113.02493	0.5
119.05045	0.7
136.01678	0.9
151.04062	0.6
191.03542	0.4
202.93877	0.4
227.03488	0.5
256.91840	0.3
325.89386	0.4
436.31558	0.3
534.38116	0.5
677.49774	1.7
737.22565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
60.77668	1.2
65.00328	18.0
65.99851	3.7
69.03509	9.3
71.67976	1.1
81.03462	3.3
83.01399	2.6
86.65710	1.2
92.99811	1.2
96.96005	1.6
96.99331	3.4
108.99335	1.5
120.99318	1.5
124.24594	1.3
136.98825	15.6
145.06619	4.8
148.04042	2.5
150.01958	1.4
164.98306	20.4
169.06537	3.2
171.04526	8.6
172.05299	2.5
173.35678	1.1
175.99864	2.5
187.07693	6.6
188.03482	1.2
192.03067	2.0
197.06111	1.4
199.04076	2.8
213.05591	1.4
216.03032	3.1
219.75140	1.4
225.05579	1.3
236.07184	1.5
238.05133	1.4
241.05060	26.4
242.08195	2.7
268.06226	1.4
269.04562	100.0
270.04877	4.2
270.07733	5.0
278.08163	2.1
280.06140	14.9
295.06174	2.7
296.09265	3.0
320.09271	4.7
404.74121	1.5
426.13422	2.7
468.14532	72.6
469.15039	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	782.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
60.77668	1.2
65.00328	18.0
65.99851	3.7
69.03509	9.3
71.67976	1.1
81.03462	3.3
83.01399	2.6
86.65710	1.2
92.99811	1.2
96.96005	1.6
96.99331	3.4
108.99335	1.5
120.99318	1.5
124.24594	1.3
136.98825	15.6
145.06619	4.8
148.04042	2.5
150.01958	1.4
164.98306	20.4
169.06537	3.2
171.04526	8.6
172.05299	2.5
173.35678	1.1
175.99864	2.5
187.07693	6.6
188.03482	1.2
192.03067	2.0
197.06111	1.4
199.04076	2.8
213.05591	1.4
216.03032	3.1
219.75140	1.4
225.05579	1.3
236.07184	1.5
238.05133	1.4
241.05060	26.4
242.08195	2.7
268.06226	1.4
269.04562	100.0
270.04877	4.2
270.07733	5.0
278.08163	2.1
280.06140	14.9
295.06174	2.7
296.09265	3.0
320.09271	4.7
404.74121	1.5
426.13422	2.7
468.14532	72.6
469.15039	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	783.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91582	0.1
59.01385	0.2
63.02391	0.2
65.00322	0.6
70.39706	0.2
70.40041	0.2
71.01400	0.2
79.01871	0.1
89.03973	0.7
91.05549	0.5
93.03452	0.7
93.63931	0.1
98.29301	0.1
101.03979	0.3
104.02713	0.2
108.57666	0.1
117.03471	2.6
119.05004	1.3
121.02964	9.4
122.03216	0.2
129.03470	0.3
132.02179	0.7
133.02956	0.4
135.04501	0.7
135.71909	0.1
145.02965	4.2
147.04523	1.8
149.02451	36.6
150.02774	0.9
152.01163	0.4
160.01575	0.3
161.02429	1.3
163.04031	3.0
164.04805	19.8
165.01883	0.2
165.05144	0.5
169.05054	0.2
170.03712	0.2
173.02449	11.5
174.02773	0.3
175.03961	0.1
179.07133	1.6
179.08621	0.3
185.02388	0.2
187.00514	0.1
188.01128	0.2
189.01950	6.3
190.02281	0.2
191.03526	0.2
191.08691	0.2
193.01421	1.8
199.00307	0.2
203.03539	0.4
207.08182	0.4
208.03780	3.6
209.04202	0.2
213.25500	0.1
214.02730	0.3
215.03529	0.2
217.01419	2.1
219.08157	0.5
223.06131	29.8
224.06429	1.1
233.06038	0.2
235.07693	0.8
246.06853	0.3
247.07646	0.7
261.05484	0.4
262.06415	0.5
263.07111	1.2
267.06500	0.2
271.05902	0.2
273.05618	0.2
275.07272	0.2
277.05075	0.4
281.08063	0.2
289.05167	0.3
290.05835	1.2
291.06635	7.2
292.07059	0.4
295.34415	0.1
301.05045	0.4
307.06195	0.2
317.04181	0.1
318.05322	0.2
319.06122	100.0
320.06470	7.4
322.04651	0.3
337.07068	0.7
349.07248	0.5
361.07104	0.2
367.08273	0.4
397.92816	0.1
439.10358	29.7
440.10730	2.7
457.11472	0.2
559.14600	0.8
577.15619	3.4
578.16333	0.2
783.20966	0.8
784.20520	0.1
789.27319	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
71.01388	1.4
79.63972	0.2
85.02964	0.5
87.77020	0.3
89.02467	1.4
89.03974	0.3
92.88649	0.2
93.03480	0.4
101.02472	0.4
101.03997	1.5
105.03483	0.4
113.02398	0.3
117.03465	0.8
119.05009	0.4
121.02964	4.4
132.02203	0.3
133.02985	0.5
145.02962	3.1
147.04524	0.9
149.02460	16.1
150.02737	0.4
156.28459	0.3
156.52344	0.3
161.02394	0.7
163.04053	1.2
164.04802	7.6
165.26900	0.3
173.00931	0.6
173.02451	11.7
174.02794	0.5
179.07146	0.6
189.01962	14.9
190.02370	0.3
193.01414	0.7
199.00391	0.7
203.03563	0.5
207.08208	0.6
208.03806	1.2
215.03651	0.3
217.01492	0.8
217.06686	0.3
218.07425	0.4
219.08186	0.7
223.06123	9.8
232.62097	0.3
235.07661	1.0
245.06073	1.0
246.06853	1.1
247.07639	6.8
248.07918	0.5
263.07120	1.2
273.05389	0.3
277.05038	0.4
291.06662	24.0
292.06912	1.7
297.45923	0.3
301.05072	7.6
302.05243	0.6
303.06900	0.3
319.06131	45.1
320.06479	2.6
331.06360	0.3
337.07349	0.3
343.06021	0.3
346.67471	0.3
349.07214	0.7
434.86935	0.3
439.10373	100.0
440.10712	8.5
559.14520	0.7
577.15741	1.8
623.86847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.0
61.98830	10.1
66.81886	3.5
79.95745	9.3
96.96056	4.7
105.75890	3.8
110.49728	3.2
117.03469	7.1
119.05025	6.3
132.02226	3.7
133.02940	8.8
134.03760	66.0
135.04532	19.5
145.62085	4.0
149.06097	4.4
160.01622	12.3
161.02440	9.9
162.03250	3.4
175.03990	10.6
178.02637	4.6
179.03522	14.8
193.05063	34.5
207.06596	5.3
252.07272	5.7
357.33276	4.0
431.05466	3.6
448.86102	3.7
535.19751	100.0
536.20142	4.4
642.81671	3.3
739.25842	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	783.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
58.00593	0.6
59.01382	20.9
69.03442	0.8
69.18821	2.3
70.37605	0.5
71.01389	20.9
72.99316	1.3
73.02953	2.2
81.03452	0.6
83.01396	1.2
85.02952	13.4
86.00066	0.8
88.79763	0.5
89.02453	8.9
89.03983	0.7
95.01404	4.9
97.02979	1.1
99.00872	1.2
99.04538	0.7
101.02444	3.9
111.00869	0.6
113.02457	23.6
114.02720	0.5
117.03485	3.0
119.03504	2.1
120.13393	0.5
122.03741	0.8
125.02406	1.0
127.04027	0.9
130.46979	0.5
131.03508	6.7
132.02180	24.7
133.02995	4.1
134.03752	49.2
135.04454	2.7
143.03493	1.4
149.04631	1.1
149.06090	8.1
152.04787	1.8
157.86440	0.5
160.01668	100.0
161.02470	12.8
161.04578	1.7
162.03006	0.7
167.07146	1.1
175.04010	97.1
176.03044	0.6
176.04353	3.7
177.01938	0.6
178.02710	4.4
179.03461	1.5
191.05595	1.8
191.07199	1.5
193.05061	36.7
193.40848	0.6
194.05386	1.2
203.06943	0.5
233.06493	0.6
235.06230	2.5
235.08241	0.5
259.06067	0.9
265.07162	5.9
289.07169	0.7
319.06021	0.7
330.46277	0.5
337.09253	3.1
343.27039	0.6
345.52695	0.6
425.74069	0.5
436.54953	0.6
475.18533	0.6
487.16330	1.4
505.17282	3.0
589.20905	1.3
607.22528	8.2
643.88281	0.6
651.23035	6.8
652.23016	0.7
705.52930	0.6
783.27228	78.4
784.27612	11.1
784.40912	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	783.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03448	1.9
59.01387	17.0
69.03423	0.5
69.27330	3.0
71.01390	14.8
71.01788	0.9
72.99313	1.5
73.02949	1.6
81.03463	1.2
83.01378	1.0
85.02963	12.0
88.95151	0.5
89.02450	7.3
89.03984	1.5
92.92599	0.5
95.01408	3.4
96.96021	1.6
97.02969	0.8
101.02434	3.9
104.13924	0.5
110.42599	0.5
113.02466	22.6
114.02889	0.5
117.03488	4.2
119.03503	1.8
119.05008	0.6
122.03795	1.1
125.02454	1.6
127.04022	0.6
131.03542	4.5
132.02185	27.8
133.03017	1.1
134.03760	55.0
135.04150	1.0
137.02440	0.9
137.06093	0.9
143.03503	1.3
147.04568	0.6
149.04581	1.1
149.06102	6.8
150.03244	0.6
152.04816	1.7
160.01677	100.0
161.02338	3.3
161.04579	1.3
167.07083	2.5
175.04024	99.4
176.04347	3.6
178.02707	3.2
186.99776	0.6
191.05647	1.6
193.05087	36.3
194.05446	1.1
233.06491	0.6
265.07059	0.8
329.12424	1.2
352.07544	0.6
475.18149	1.6
505.17575	0.7
583.21820	0.7
589.21411	3.0
607.13135	1.2
607.22516	13.4
608.23010	1.3
651.22882	2.5
783.27271	53.9
784.27466	6.8
784.41107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02230	1.2
61.23690	1.3
78.82531	1.1
78.95911	100.0
96.96971	57.4
106.82970	1.6
108.80576	1.2
112.93802	1.6
134.04758	5.5
144.44415	1.2
158.92520	6.8
162.98035	3.1
174.97992	1.8
180.99095	9.1
191.03419	1.9
195.00647	2.9
198.06700	1.7
204.92305	4.5
206.91972	3.5
212.08244	1.9
241.07327	2.2
255.09003	2.4
259.87259	1.2
272.95895	2.2
346.05585	23.4
408.00732	1.2
411.00064	1.2
437.08658	32.7
438.08865	1.6
517.05823	1.8
550.68207	1.3
696.10266	1.5
734.23993	1.4
784.15173	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	785.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30658	1.1
69.31069	2.6
96.96060	0.7
98.21777	1.2
104.60268	0.7
120.02170	3.7
121.02968	100.0
122.03294	1.6
165.01971	2.9
181.06619	2.6
191.03441	1.7
209.04562	65.7
210.04906	2.0
225.05594	2.9
227.42136	0.7
247.67851	0.9
269.04614	1.7
313.07196	5.1
357.06143	1.7
357.64124	0.7
401.08853	12.1
402.09158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69957	1.7
59.01394	3.5
66.87339	2.0
70.48808	3.9
73.02967	2.1
87.75066	1.6
95.48854	1.8
98.21874	1.8
118.22681	2.0
163.04001	3.3
173.02440	8.4
174.03175	3.7
177.01816	1.9
183.04626	3.0
185.02397	4.1
186.03247	4.6
187.03986	3.7
189.01930	3.6
190.02719	41.9
191.03508	100.0
192.03874	3.5
197.02438	2.7
198.03227	5.9
210.03275	2.7
211.03954	7.9
212.01355	2.2
213.01938	20.5
214.02713	20.8
215.03519	67.9
215.05591	3.9
216.03929	3.0
226.02802	2.2
227.03560	10.6
228.04161	2.7
229.05052	4.3
231.02934	4.7
232.03708	2.1
233.04567	21.7
238.02719	6.1
239.03444	14.1
241.01305	3.0
243.02992	3.8
254.02321	3.4
255.03055	10.6
256.03821	4.2
257.04599	15.8
258.01620	3.1
259.02496	3.6
269.04526	6.0
271.02551	2.0
275.05563	3.5
282.01678	6.0
283.02515	16.6
297.03970	2.4
299.01959	2.3
300.02682	5.3
301.03568	5.2
314.04391	10.0
315.05075	13.8
322.18430	2.3
327.90323	1.9
376.36127	1.7
380.36661	2.2
395.09836	66.4
396.10196	4.0
419.09732	14.2
437.10858	6.9
461.10947	11.0
463.08554	2.9
479.12030	2.1
487.08884	4.3
505.09988	36.3
506.10236	3.7
519.11420	33.1
520.11420	4.1
537.12622	32.1
538.13025	4.5
602.85321	2.0
641.16827	2.4
643.14368	1.9
709.16187	3.7
741.18860	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	785.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.1
71.01383	11.1
71.39664	3.0
73.02950	3.3
79.27798	2.5
85.02983	3.8
86.21432	2.6
89.02459	7.2
90.69584	2.6
93.03468	44.6
101.02451	10.0
113.02468	8.1
119.03535	2.8
129.94797	2.6
135.04544	3.0
136.01674	4.2
137.02463	100.0
143.03522	2.7
149.66167	3.1
151.04015	4.7
179.03523	21.7
201.16832	2.6
209.04587	6.9
221.06769	3.4
239.05608	13.1
299.07605	3.2
304.54507	3.0
341.08911	14.5
401.11032	9.3
461.13071	4.1
492.58829	3.0
503.14124	14.1
563.16278	4.4
642.89868	2.9
785.23444	47.3
786.24213	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	785.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.7
69.16888	4.4
71.01392	7.7
73.02965	1.3
79.95744	5.4
85.02955	2.1
87.00890	1.0
87.30892	0.7
89.02455	8.1
95.01386	1.2
96.96012	1.5
97.02991	1.4
101.02454	5.0
105.03454	0.9
110.00137	1.9
113.02483	4.6
117.03470	1.3
119.03513	2.2
123.04517	3.7
125.02443	3.0
126.00481	0.7
132.02184	3.7
133.02971	46.7
134.03754	1.2
135.04535	15.2
137.82005	1.0
137.99585	1.7
139.00381	1.2
153.01971	1.3
153.05551	3.4
161.02463	100.0
162.02798	3.3
165.99121	2.7
168.66211	0.6
179.03508	2.7
179.05627	1.0
189.48877	1.5
221.06638	1.2
236.97960	2.7
237.48103	0.8
237.97710	1.0
263.27469	0.7
284.03265	2.2
285.04013	1.1
292.85770	0.8
299.02203	1.4
299.05646	3.7
300.02786	18.4
301.03348	1.4
313.03610	1.9
314.04489	1.0
315.05157	28.3
315.10712	1.2
316.05331	1.0
319.93704	0.8
379.01462	4.5
395.00815	52.9
396.00970	1.6
461.17264	0.7
477.15692	0.9
530.66968	0.8
562.37250	0.8
588.47473	0.8
623.21948	11.6
785.25177	39.2
786.25647	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	786.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.3
62.58162	0.2
79.95747	2.6
80.96526	0.8
89.02422	0.3
110.00108	2.6
111.00886	0.5
113.02478	0.2
125.02478	0.3
132.02295	0.3
134.03778	0.7
135.04533	2.0
136.04832	0.4
136.98764	0.3
137.99615	1.8
139.00375	2.6
151.00308	0.3
153.01958	2.0
161.02428	1.0
162.02808	0.4
164.98409	0.3
165.99088	4.4
179.03490	0.5
181.01433	0.9
192.00699	0.3
192.74886	0.3
207.03015	0.4
210.03192	0.3
211.03972	0.6
213.02020	0.2
223.13792	0.2
227.03506	0.3
228.04446	0.3
236.97903	0.5
251.05682	0.3
255.02753	0.3
256.03815	0.9
266.05713	0.3
271.06232	0.3
283.02652	0.4
298.01285	1.3
299.05576	0.5
300.02780	29.6
301.03333	1.5
313.03503	2.7
315.05127	68.3
316.05402	2.8
379.01331	0.4
380.55911	0.3
380.99359	0.7
395.00797	100.0
396.01053	3.8
474.96451	0.7
487.15875	0.3
624.19934	0.3
786.25720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91164	0.3
58.07368	0.3
79.95735	0.9
82.00626	0.3
104.08952	0.3
110.00106	4.0
111.08370	0.2
114.37539	0.2
117.03458	0.3
119.05048	1.7
125.02415	0.3
137.99608	3.3
153.01913	1.4
161.02440	0.3
164.01083	0.3
165.02142	0.2
165.99080	6.8
181.01427	1.2
200.04755	0.5
211.04047	0.3
212.04865	1.3
214.02740	0.8
227.03485	0.4
228.04390	0.3
239.03491	0.3
240.04248	1.3
242.02252	0.3
255.06734	0.3
257.04691	0.3
267.03192	0.3
284.03281	47.7
285.03693	2.1
299.05615	87.5
300.05963	3.8
301.03482	0.8
315.05261	0.4
379.01306	100.0
380.01648	4.4
380.99390	0.5
395.00723	0.8
580.67542	0.2
694.63544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48541	0.4
79.95726	0.5
107.75229	0.5
109.85434	0.4
110.00105	3.2
113.02451	0.4
118.32750	0.4
119.04997	0.7
133.02887	0.6
135.04507	0.4
137.99617	3.1
153.01897	1.1
161.02472	2.3
162.02718	0.5
165.99094	6.6
181.01401	1.0
212.04781	0.6
214.02757	0.7
240.04269	0.7
242.22519	0.3
255.03087	0.4
256.03696	0.4
283.02591	0.7
284.03290	38.2
285.03699	1.6
299.05618	82.9
300.05948	3.0
301.03336	0.7
379.01318	100.0
380.01642	3.9
624.19720	0.6
786.25604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.6
71.01382	1.5
81.03490	1.0
83.01416	1.0
91.05523	1.3
93.03468	3.0
93.97076	1.0
95.05029	0.8
97.02962	1.2
104.65575	0.9
105.03525	1.0
107.05054	1.0
110.03195	0.8
112.26262	1.0
117.03478	62.0
118.03783	1.5
119.05051	6.4
121.02968	2.0
123.04572	2.0
125.02454	4.1
134.03755	3.8
135.04529	8.2
137.02518	1.4
145.02977	1.5
147.04532	6.0
148.01674	4.5
149.02448	30.4
151.03970	1.1
159.04579	1.7
161.01111	1.3
161.02452	22.9
161.06108	0.9
163.00388	1.7
163.04019	38.5
165.05615	1.3
167.03485	2.8
173.02420	1.7
174.03191	0.8
175.04039	4.4
177.01938	1.1
177.05531	2.1
181.48497	0.9
187.04004	2.6
188.01231	1.2
189.01941	3.3
190.02716	1.9
191.03511	100.0
191.76299	1.1
192.03853	2.3
193.05016	1.6
197.04585	1.2
199.04039	1.1
203.03506	10.3
205.05083	3.6
209.04573	3.2
215.03471	1.7
217.01466	3.6
221.04561	22.5
227.03564	1.1
230.02258	1.2
233.04562	26.4
239.05669	6.1
245.04527	3.2
251.05786	1.2
259.02454	10.2
263.05652	8.6
269.04425	1.9
269.06931	1.5
270.05261	3.0
275.05774	1.2
281.06625	1.2
285.07712	5.1
289.03525	2.8
293.06793	1.8
300.09964	6.9
301.03751	1.3
301.10757	1.1
311.07785	15.5
313.10931	1.7
331.11911	4.9
341.09128	3.4
353.06625	49.2
354.07074	2.4
365.06686	1.3
367.16614	1.0
379.06610	4.3
383.07837	10.2
395.07831	1.9
401.08658	1.8
431.10327	3.6
442.96375	1.0
455.09857	3.9
473.10928	37.8
474.11249	1.5
491.11890	2.4
503.11816	5.6
505.13580	3.8
521.12872	1.6
535.14880	1.9
575.14465	1.8
593.15204	2.9
606.30444	1.0
611.15710	1.8
625.17621	2.1
667.16748	2.3
787.20837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.1
62.56428	0.8
65.00327	2.7
71.01382	5.5
73.02956	1.4
81.03463	2.0
83.01398	1.2
85.02962	1.9
91.01912	2.7
93.22277	1.1
95.01376	1.5
96.99332	1.2
98.21839	2.4
101.02460	2.7
104.29992	0.8
107.01409	3.1
108.02190	8.4
109.02290	1.0
109.02971	3.2
111.00890	2.0
113.02455	1.8
123.00893	0.9
123.04536	9.2
124.01685	1.1
125.02476	1.5
136.98814	5.7
146.89978	0.9
151.00385	4.8
152.01164	11.5
153.01926	5.0
164.98326	6.7
166.02747	2.2
167.03520	26.2
168.03862	0.9
180.00636	1.5
183.04498	4.9
195.02971	1.0
209.04550	1.5
211.03951	2.3
216.63580	0.8
227.03523	1.9
239.03450	1.2
240.25246	0.9
255.03004	13.7
265.85199	1.0
269.04398	6.2
269.07169	1.0
283.02490	67.0
284.02975	4.9
296.05469	4.1
297.03906	5.9
298.04840	63.4
299.05246	4.2
311.07785	35.4
312.07935	2.0
313.07199	41.9
314.07599	1.9
405.68774	0.9
441.66055	1.0
475.12875	1.0
482.77328	0.9
625.15668	100.0
626.15955	11.8
667.16931	1.2
787.20593	1.5
791.23242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15394	0.4
59.01368	0.4
63.02391	1.6
65.00327	1.5
69.53684	1.6
76.34379	0.4
88.73014	0.4
93.03458	1.7
107.01427	2.5
114.00307	0.4
117.03484	9.7
119.05016	0.7
121.02954	0.7
135.04529	0.4
149.02466	3.1
149.06104	0.5
151.00354	2.8
159.04512	1.6
161.02463	2.7
169.06577	0.6
181.06616	0.6
183.04488	2.3
191.03450	0.5
196.05299	1.0
197.06082	1.0
201.05548	1.1
213.05531	0.4
224.04750	0.5
225.05621	3.8
227.03561	0.8
235.09653	0.4
240.04308	0.7
241.04973	0.7
267.10349	0.7
268.03769	1.3
269.04565	100.0
270.04922	4.1
311.05542	1.4
311.09183	1.1
328.36584	0.5
353.59567	0.4
355.11890	16.2
355.16281	0.8
356.12134	1.0
431.09848	84.9
432.10068	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	787.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
65.00332	1.6
69.87708	1.8
69.88060	1.3
71.01386	0.8
71.26510	0.8
71.69997	0.8
72.23389	0.7
73.02935	0.8
80.37875	0.7
83.01399	1.9
97.02967	0.7
101.02454	1.3
101.54241	0.7
102.29015	0.7
107.01340	0.7
107.05051	1.0
109.02993	1.3
112.76427	0.7
117.03490	1.6
119.05047	2.0
121.02957	4.0
123.04559	1.6
125.02432	1.0
131.05083	1.3
135.04536	2.8
136.98824	1.2
145.02965	1.7
147.04532	2.1
148.01688	2.5
149.02460	17.6
149.06013	0.7
150.02991	0.8
151.04001	1.0
156.81993	0.7
159.04503	1.5
161.02478	4.4
161.06145	0.8
162.03227	2.6
163.04027	12.1
164.04805	3.1
167.03546	1.6
173.02477	1.1
173.06108	6.3
174.03253	1.1
175.00334	1.7
175.04028	2.6
176.01144	1.6
176.04961	1.0
189.01967	5.2
190.02701	6.4
191.03511	18.5
192.03856	0.9
203.03528	2.6
204.04355	3.4
205.05043	2.1
209.04573	1.3
214.02771	5.6
215.03479	0.9
217.01392	1.4
217.04919	1.1
218.05855	0.9
221.04599	2.4
233.04478	1.6
263.07178	3.1
263.95468	0.8
277.08691	4.4
281.08215	17.1
283.10049	0.8
284.03250	11.1
285.03665	1.4
293.08270	7.8
295.09741	4.1
299.05658	9.5
299.09396	2.1
300.06042	1.0
305.08337	2.7
307.09863	2.6
311.09290	1.0
322.08319	1.6
323.09274	100.0
324.09534	6.5
335.09384	5.9
337.10776	3.2
341.10272	7.0
353.10312	43.8
354.10751	4.2
365.10315	31.8
366.10663	2.4
367.11691	1.3
371.11380	6.0
383.11365	1.8
395.11343	14.1
401.12549	4.1
425.12476	9.1
443.13510	45.1
444.13681	4.2
455.13327	2.0
461.14468	5.4
467.14041	1.2
473.14557	15.4
474.14725	1.0
491.15814	1.4
492.15973	0.8
503.17197	5.5
533.17828	1.6
545.16943	2.6
563.17749	5.7
623.21527	1.4
653.22235	1.1
655.12524	0.8
667.20557	3.1
697.21997	1.4
787.24927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.5
60.81807	7.9
61.50786	8.9
71.01373	13.1
83.01373	10.5
87.00840	8.7
88.11355	7.0
96.96004	16.6
97.02961	9.0
101.02447	11.7
109.02991	14.2
109.58748	8.8
110.38517	7.2
113.02464	13.6
137.02444	16.8
138.03194	10.9
149.02437	13.8
152.01099	12.6
153.05634	12.2
161.02383	9.4
163.03963	10.0
164.04764	16.1
167.03514	10.9
167.19565	8.3
173.06058	43.0
175.03902	9.4
176.04700	10.9
188.04784	8.7
189.01935	8.6
190.02821	9.8
201.05663	7.9
203.03476	17.4
204.04298	32.6
205.05028	16.0
257.08209	16.3
269.04428	24.8
269.07892	8.5
270.05042	8.2
271.06094	9.1
295.09714	25.6
307.09653	31.0
323.09189	11.8
329.10266	10.6
337.10788	53.4
349.10864	16.0
365.10284	11.2
367.11765	21.3
383.73178	8.2
461.16010	12.1
473.16000	8.8
503.17310	88.3
515.17340	12.9
517.15112	9.5
533.18311	89.3
547.16309	46.4
559.15826	16.8
577.17102	32.2
589.16949	15.4
605.20160	85.4
631.17981	11.1
635.21533	46.9
649.19379	89.2
667.20398	100.0
679.20172	83.4
697.21301	94.5
751.21869	13.6
769.23401	24.3
787.24762	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	787.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.4
71.01365	1.2
73.02953	1.6
78.95901	1.8
81.03436	1.1
86.76951	1.2
93.03468	4.5
96.96018	4.6
98.22717	2.3
101.02428	2.0
102.78741	1.2
108.02162	2.2
109.02946	2.5
113.02509	1.3
117.03499	1.2
119.03549	1.4
119.05064	1.9
121.02972	13.1
122.03747	18.5
123.00883	1.4
129.43498	1.2
133.02934	3.4
134.03732	2.4
135.04558	9.3
136.01678	25.3
137.02425	4.8
147.04549	1.9
149.02463	26.7
150.03241	100.0
151.00450	5.4
151.04022	33.0
152.01141	2.2
161.02492	2.0
162.03241	4.7
163.03999	4.2
164.04829	7.7
165.05583	97.1
166.02727	18.3
166.05867	1.4
167.03520	3.4
172.05411	1.5
175.04031	5.5
177.05545	3.9
179.03636	1.1
180.04285	5.2
181.05064	21.1
189.05609	2.8
190.06354	8.0
193.04907	1.7
194.15402	1.1
195.06636	68.8
196.06981	1.4
205.08734	1.9
210.94739	1.0
224.55492	1.2
285.04037	2.8
307.02591	1.1
311.09167	1.4
315.08594	3.2
329.10202	3.9
339.08945	1.3
340.13480	1.2
342.11282	2.0
355.11685	1.9
356.12790	2.6
357.09647	7.3
357.13477	10.8
368.11578	1.5
369.13589	1.7
372.12009	4.7
385.13205	1.4
386.13675	2.7
387.14505	61.1
388.14954	2.7
388.38733	1.3
425.70218	1.2
489.08380	4.5
505.18723	5.2
520.17377	1.4
535.19745	79.5
536.20099	5.0
546.66193	1.4
553.20654	2.7
565.20978	3.3
583.21863	40.3
584.22449	2.7
612.59827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22110	0.3
59.01385	2.9
61.98847	1.9
69.30789	1.5
71.01392	1.1
73.02956	0.8
85.02959	0.8
89.02478	0.7
93.03453	3.3
95.01405	0.7
95.05005	0.4
98.22571	0.5
101.02460	1.3
105.03458	0.5
108.02184	0.9
109.02954	0.9
109.56827	0.3
113.02463	1.2
119.05090	0.5
121.02966	5.6
122.03757	14.4
123.00899	1.0
123.04604	0.7
124.01704	0.8
133.02991	1.3
134.03737	0.7
135.04622	0.7
136.01674	12.2
136.73604	0.3
137.02481	1.8
147.04536	0.7
149.02461	15.0
150.03236	97.3
151.00417	3.3
151.04025	13.9
158.29633	0.3
160.01732	0.4
160.05298	0.5
161.02458	0.4
162.03267	1.6
163.04034	0.6
164.04831	2.9
165.05580	100.0
166.02725	9.4
166.05923	1.9
167.03519	0.9
172.05112	0.3
175.03989	1.4
175.07579	0.4
177.01938	0.7
177.05597	1.5
180.04283	6.0
181.05069	10.3
189.05580	0.6
190.06357	1.1
190.61629	0.3
191.03523	0.4
193.05098	0.9
195.06639	99.6
196.06973	2.0
205.05182	0.5
206.05750	0.4
221.08200	0.7
247.61882	0.3
282.05286	0.4
297.07983	0.4
309.07571	0.5
329.10309	1.0
342.11023	1.2
357.09616	2.9
357.13474	7.6
369.13208	0.8
372.12280	2.5
373.12985	0.5
387.14514	31.0
388.14926	1.9
420.44797	0.4
505.18478	0.8
535.19672	3.7
553.20923	1.5
565.20581	0.7
583.21887	16.2
584.22235	1.2
748.81860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
59.10759	0.6
62.40668	0.6
67.34360	0.5
69.21754	2.2
69.22161	1.0
73.02985	0.7
85.46578	0.5
93.03482	5.0
96.10032	0.5
96.96040	0.8
98.22678	1.3
108.02173	2.7
109.02961	1.4
119.05036	0.8
121.02965	12.8
122.03749	20.6
123.00910	1.8
123.04510	1.4
124.01670	1.3
132.02176	0.9
133.02983	2.0
134.03732	1.7
135.04546	9.5
136.01674	23.5
137.02478	3.9
147.04503	1.6
149.02455	29.6
149.06114	1.4
150.03238	100.0
151.00427	5.7
151.04025	30.0
151.05261	1.3
152.01195	3.7
152.04689	1.1
159.04539	0.9
160.05296	1.9
161.02409	1.0
161.06065	0.8
162.03247	1.7
163.04030	3.3
164.04814	6.2
165.05583	95.7
166.02736	17.1
166.05911	1.9
167.03551	3.1
172.05310	1.4
173.06094	0.7
175.03979	6.0
175.07655	1.0
176.04808	0.7
177.01930	1.0
177.05589	2.0
179.07117	1.1
180.04292	6.6
181.05078	21.2
189.05635	3.9
190.06398	7.1
191.03455	0.8
191.07191	0.7
195.06644	66.8
196.06970	1.4
205.08713	1.7
206.06082	0.7
207.06503	0.9
221.08250	1.4
282.05481	1.2
294.05591	0.7
295.09805	0.8
297.07697	1.0
309.07690	1.1
314.08066	1.3
315.08759	2.1
325.10745	1.1
329.10275	3.3
342.11136	1.5
353.10382	1.9
355.12024	0.7
356.12622	2.5
357.09637	5.1
357.13470	9.2
369.13431	1.3
372.12128	5.5
373.12766	1.3
386.13748	2.1
387.14523	62.0
388.14587	1.5
462.39764	0.6
490.16867	0.6
505.18823	5.2
528.40082	0.7
535.19788	67.8
536.19958	4.6
546.84979	0.7
553.20728	1.3
565.20648	2.3
583.21881	34.6
584.22363	1.7
608.13898	1.5
635.85962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	44.9
62.49905	1.0
65.00333	2.2
71.01387	21.7
73.37058	1.0
85.02960	3.7
87.00895	2.3
89.02454	25.2
91.59322	1.3
95.01415	1.5
97.62327	1.1
101.02441	13.5
101.06096	6.2
101.06666	1.3
108.98533	1.3
112.98810	1.3
113.02451	11.9
115.07609	1.7
119.03513	9.7
119.05020	3.9
136.98787	1.3
143.03517	1.3
159.04292	2.2
161.04538	1.0
167.03432	1.9
179.05580	2.8
198.83385	1.0
207.04271	1.4
209.02391	1.4
209.04382	1.1
214.09808	1.1
300.85712	1.2
309.06998	1.1
322.96637	1.8
323.01837	9.8
323.13483	100.0
324.13751	2.6
380.59311	1.1
467.17950	1.2
647.20422	4.1
648.56201	1.2
649.20630	1.5
700.88806	1.3
749.28082	2.1
752.65240	1.3
787.25049	2.2
794.80042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64480	3.0
70.02972	10.9
71.01355	4.2
71.42786	4.4
82.02958	4.3
86.02492	3.3
89.44201	3.0
90.07490	4.3
96.00933	66.3
98.02480	5.5
99.01981	6.4
103.51408	3.8
109.04029	3.8
110.02503	27.8
112.93810	4.0
113.03578	7.0
113.07236	4.8
114.01978	5.4
125.07217	7.5
127.08710	5.1
136.04117	6.6
145.09854	100.0
151.08737	6.2
152.07098	3.8
153.06694	15.0
155.08260	13.5
156.11389	4.4
158.12984	22.6
163.08800	9.4
165.06714	5.1
166.08705	5.1
167.08261	4.1
169.09853	56.8
171.07726	4.5
183.11314	4.2
184.10956	18.2
186.12483	9.5
204.92317	5.2
206.92076	4.4
207.07785	8.6
211.07172	4.3
222.12476	8.5
228.09966	4.5
248.10472	27.2
255.18352	18.3
265.13098	4.0
266.11438	24.9
283.14059	19.5
299.17236	62.7
323.13284	7.3
327.16547	4.6
343.19965	7.7
353.18274	10.0
431.48151	3.8
443.17725	11.6
708.31958	8.2
725.34552	5.1
743.35864	7.1
752.34985	35.4
769.37726	31.0
770.36743	6.9
787.38531	85.1
788.38885	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	788.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01362	3.1
65.00361	1.1
68.99809	0.8
69.44492	3.5
71.01380	2.6
75.00880	1.5
85.02949	6.8
89.34830	0.8
95.01399	2.6
99.00881	2.9
113.02457	16.5
117.39372	0.9
129.01939	1.3
131.84575	0.9
136.98834	2.1
167.05031	1.3
169.06587	2.0
175.02502	8.9
195.04497	1.1
197.06073	1.8
213.05475	1.4
223.04071	1.8
241.05049	2.4
251.03520	1.7
264.17014	0.9
269.04559	100.0
270.04922	6.8
343.07880	1.1
366.12079	0.8
423.06042	1.0
445.07861	11.8
446.08618	1.2
770.03687	0.9
809.87463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42515	0.5
71.14107	0.6
77.06608	0.5
79.95717	0.7
82.43861	0.5
95.01377	0.8
102.37858	0.4
111.00891	4.0
117.43200	0.5
119.04994	2.0
123.00842	0.8
125.02402	1.2
139.00374	7.7
151.00377	3.2
157.08371	0.5
157.39931	0.5
161.02463	1.0
164.98294	0.9
165.01826	0.7
166.99886	2.6
169.06572	0.8
185.06270	0.5
192.00674	0.6
199.03877	0.6
213.05559	0.9
217.05132	0.8
223.03938	2.3
225.01880	0.7
241.05075	0.6
285.04056	97.5
286.04340	4.0
305.00528	0.6
360.81332	0.5
364.99719	100.0
366.00049	4.3
378.70294	0.5
552.70721	0.5
556.79578	0.5
656.97229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45286	0.5
56.47611	0.4
65.29089	0.4
69.17271	2.3
70.17489	0.4
80.32784	0.4
95.01421	0.5
95.92025	0.4
96.96006	0.6
111.00896	4.1
119.05009	1.7
123.00867	0.9
125.02427	0.9
136.98744	1.0
139.00401	6.7
151.00359	2.5
151.48546	0.5
161.02490	0.6
164.98242	0.8
165.01933	0.7
166.99786	2.4
169.06555	1.1
173.06042	0.9
180.11635	0.5
185.06142	0.9
190.99957	0.6
192.00656	0.6
213.05542	1.0
217.05101	0.8
223.04036	2.2
225.72554	0.5
232.01410	0.4
239.03416	1.1
241.05154	0.6
242.02293	0.7
243.02905	0.5
257.04529	0.6
267.02969	1.1
283.02460	0.8
285.04059	100.0
286.04355	4.3
312.45737	0.5
364.99725	97.3
366.00076	3.7
424.72797	0.5
735.24170	0.5
783.55371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
61.57223	0.3
61.98837	100.0
63.81840	0.2
93.03514	0.3
107.73177	0.2
115.15350	0.2
120.96551	0.3
121.03033	0.5
122.03757	0.8
123.04498	0.3
129.05608	0.3
134.93634	0.2
135.04546	0.4
136.01717	1.0
144.16632	0.2
148.73892	0.2
149.02451	1.2
150.03229	4.1
151.03891	1.3
152.04372	0.5
164.04860	0.5
165.05594	3.9
166.02740	0.7
166.05951	1.3
176.20572	0.2
180.04268	0.5
181.05130	0.7
195.06659	3.7
195.08632	0.3
196.07031	0.9
205.05237	0.3
220.62358	0.3
271.54120	0.2
357.13693	0.3
387.14554	1.6
388.14850	1.9
457.17499	0.8
535.19568	1.2
536.20105	3.0
536.27710	0.4
583.22723	0.5
584.22614	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	788.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.40604	0.1
65.44669	0.1
71.42067	0.2
76.39563	0.1
96.10808	0.1
110.67163	0.1
123.04553	0.2
136.01712	0.2
150.03275	0.5
151.03973	0.2
165.05598	0.6
171.34665	0.1
185.92226	0.1
195.06648	0.3
204.19412	0.1
233.39401	0.1
248.81203	0.1
303.68060	0.1
387.14761	0.3
457.17303	0.5
459.18332	0.2
535.20160	0.2
536.20160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.8
61.40596	0.7
65.00314	1.9
69.42969	1.8
69.43375	2.1
70.09924	0.9
71.01394	2.9
75.00874	1.1
85.02960	5.1
87.00874	0.8
95.01390	2.0
99.00877	1.4
103.00375	1.5
110.00143	0.8
113.02470	12.0
117.03457	0.9
119.05009	2.6
129.01991	0.8
136.98839	1.8
138.70888	0.7
139.00371	1.5
164.98302	1.9
175.02522	7.5
185.06145	0.9
211.03935	1.0
213.05612	2.1
239.03433	2.6
241.04939	1.2
267.02893	2.3
269.04541	1.2
284.03247	3.4
285.04056	100.0
286.04410	5.1
299.05582	4.9
300.05905	2.4
301.03506	2.9
379.01227	3.5
380.01535	2.3
381.00192	2.9
381.99744	0.9
395.03238	1.4
461.00800	1.2
461.07297	20.5
462.07843	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	788.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
65.00301	1.0
67.01867	1.1
71.01380	3.5
71.41448	1.1
79.40366	1.2
85.02972	4.8
88.98798	1.3
89.02443	1.7
95.01402	2.7
99.00903	1.0
111.00908	6.8
113.02464	8.9
117.03465	1.9
119.04998	2.8
125.02476	2.0
133.02962	2.7
135.04492	2.0
136.98930	1.9
137.02451	2.0
139.00362	7.7
143.05066	1.3
151.00359	1.4
157.06610	1.4
161.02475	5.5
166.99854	2.5
171.04539	1.3
175.02466	3.9
179.03535	3.5
185.06157	1.4
186.57460	1.1
198.57097	1.0
203.07199	4.0
210.40714	1.1
223.04008	1.5
241.05078	1.4
284.03391	1.9
285.04074	100.0
286.04370	4.2
299.05530	1.3
301.03537	3.0
329.88797	1.0
334.06482	1.0
461.07288	16.4
462.07635	1.1
515.68793	1.1
527.37549	1.3
636.83344	1.5
650.14368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01035	0.5
59.01368	4.3
65.00329	3.1
69.09207	3.6
69.09615	1.1
71.01378	5.9
72.99314	3.5
73.02995	0.9
74.73811	0.7
75.00879	3.2
81.37063	0.7
83.01407	1.5
85.02967	7.1
85.80450	0.7
87.00893	2.1
89.02457	1.3
91.01907	1.5
95.01414	3.0
97.02956	0.8
98.22727	1.5
99.00903	2.7
101.02457	1.0
103.00387	0.8
107.01359	1.4
108.02200	2.5
109.03001	1.6
110.00094	3.3
111.00889	18.7
113.02469	5.4
116.92867	2.6
117.01983	0.8
123.00896	2.7
123.04513	4.9
125.02424	2.1
133.02997	1.1
133.17256	0.9
134.03740	1.2
135.04552	5.0
136.98827	2.7
137.99576	1.1
139.00374	19.7
151.00357	4.1
152.01172	1.9
153.01933	2.0
159.04536	1.0
161.02467	1.5
164.98308	2.8
165.01984	1.3
165.99107	1.9
166.99939	3.9
167.03508	13.6
171.04530	0.8
177.01926	2.0
178.99883	1.3
183.04498	0.8
185.06036	1.2
187.03996	1.7
192.00618	1.3
193.01488	1.8
193.03468	1.4
195.04503	1.2
197.97835	0.9
201.05632	1.6
209.04509	1.5
211.04112	1.3
214.02679	0.8
215.03458	1.7
220.56543	0.8
227.03531	1.7
229.05054	1.5
239.03477	3.7
247.98927	0.7
255.02971	1.5
258.51126	0.7
283.02606	1.7
299.01807	1.7
300.02719	6.7
301.03552	100.0
302.03894	6.9
337.08124	1.1
410.31482	0.8
428.12833	0.8
437.46838	0.7
487.10992	26.6
488.11603	1.9
613.12128	9.3
614.12128	1.1
789.15240	41.8
790.15479	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	789.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
68.81205	1.0
71.25002	1.3
81.03460	1.3
85.02970	1.1
96.50254	1.1
101.70901	1.1
108.02187	71.4
109.02984	14.6
116.93029	1.3
119.05074	2.1
121.02924	1.9
122.03740	2.4
123.04517	2.2
133.02971	5.6
134.03754	14.6
135.04541	5.3
137.02452	1.7
149.02492	5.8
149.06094	1.8
150.03250	17.3
151.03989	3.8
152.01169	100.0
153.01715	4.0
160.01689	1.4
161.02435	2.0
163.04056	2.1
165.01923	1.2
165.05594	11.9
175.03967	1.4
177.01924	2.6
178.02681	3.6
179.03485	3.9
180.04239	1.8
193.05107	8.4
195.06650	2.2
285.06277	1.8
323.01154	1.2
330.55002	1.0
399.09399	13.6
399.43964	1.2
417.10364	3.4
591.12970	1.8
592.14362	6.2
593.15167	4.8
789.22498	60.4
790.22913	10.6
801.20099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
64.24538	0.7
69.34612	1.7
69.34998	1.7
72.43010	0.8
85.02948	1.4
88.58750	0.7
107.01407	1.2
108.02185	59.9
109.02357	1.0
109.02991	15.4
119.05032	0.8
121.02976	2.8
122.03757	1.5
123.04518	1.8
133.02960	3.7
134.03764	12.0
135.04568	5.7
137.02501	0.7
139.93611	0.7
149.02490	3.5
149.06097	2.4
150.03236	11.4
151.04021	2.1
152.01167	100.0
153.01945	5.0
160.01669	1.5
161.02441	2.0
163.04028	1.9
165.05592	8.0
166.02708	0.9
175.04054	1.6
177.01910	1.7
178.02711	3.4
179.03526	5.6
180.04153	0.9
181.01132	0.7
193.05086	6.5
233.04399	0.9
285.06256	1.5
341.10321	0.8
375.11044	0.9
399.09320	13.8
400.10257	0.9
417.10361	1.9
472.19705	0.7
592.14325	4.3
593.15094	2.6
633.98883	0.9
789.22540	68.6
790.22888	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	789.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
59.01388	16.3
65.00317	1.5
65.99137	1.2
69.53143	4.1
71.01387	25.4
72.99313	3.1
73.02957	4.9
83.01383	2.5
85.02946	9.5
87.00889	5.4
89.02472	7.1
95.01420	2.3
96.95992	2.5
97.02939	2.2
99.00910	2.6
101.02447	7.5
107.05012	1.8
110.06354	1.5
113.02463	12.8
118.14337	1.3
123.04546	8.6
125.02419	3.8
131.03539	3.0
131.05096	2.4
133.06615	2.0
135.04535	48.0
143.03447	1.8
147.04538	57.1
148.04839	2.3
151.00371	3.6
153.05605	11.0
161.04684	1.8
161.06065	8.3
167.03539	1.8
175.04037	1.6
189.05714	2.0
215.07060	2.5
221.06555	3.8
243.06609	4.0
244.89284	1.7
255.06709	6.5
269.04575	3.7
271.06039	2.0
274.83755	1.5
279.09070	1.6
283.02515	2.1
297.09814	5.0
298.04730	1.8
299.05179	1.9
315.10992	2.9
403.00937	1.6
428.39249	1.7
459.13135	7.0
460.13467	2.4
591.20386	3.4
605.21057	2.1
627.15692	4.0
753.26160	100.0
754.26337	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	789.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20503	1.9
59.01388	31.9
61.98823	7.6
65.00313	1.9
70.90681	1.9
71.01387	7.7
71.41431	1.8
73.02962	6.9
82.95423	3.5
85.02982	4.4
89.02427	2.3
91.67170	2.3
95.01414	2.6
96.74902	1.9
101.02439	4.4
103.01936	2.1
103.47858	2.0
113.02469	3.9
117.03519	2.7
119.05034	4.9
121.02944	13.4
124.87489	2.3
135.04526	2.8
147.00890	2.7
147.04520	6.8
149.01254	4.0
149.02467	76.3
149.65135	2.0
164.04813	62.0
165.05164	3.2
175.00395	30.1
176.01199	4.6
179.07124	5.6
190.02745	55.0
191.03427	6.9
193.01407	2.9
205.05077	58.0
206.05495	2.0
208.03824	6.2
223.06137	100.0
265.07227	2.3
291.23166	3.2
335.22296	3.6
339.78781	2.1
409.11539	3.4
425.10730	2.4
497.28424	2.3
521.27368	4.4
539.28589	9.5
701.35388	8.3
745.34497	70.4
746.35272	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	789.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.3
79.95728	0.7
90.85707	0.5
183.01221	3.0
184.01999	0.6
197.02789	20.0
198.03604	5.8
211.04439	0.7
212.05124	0.8
230.02573	1.6
242.43401	0.5
283.13766	100.0
284.14133	4.3
304.16718	0.5
344.62646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
65.00331	2.3
71.01391	5.3
73.02937	1.0
75.30818	0.8
81.03466	3.0
85.02951	1.7
89.02457	1.0
91.01914	1.7
93.03434	1.1
95.01395	1.4
98.22633	3.0
101.02452	3.4
107.01382	4.4
108.02184	37.4
109.02994	6.6
111.00852	1.1
113.02475	4.5
122.03716	1.5
123.00909	1.6
123.04529	20.5
125.02412	1.6
129.38835	0.9
133.02950	2.2
134.47226	0.8
135.04527	2.6
136.43645	0.9
136.98834	2.1
151.00357	7.1
152.01163	65.6
152.25279	0.9
153.01962	11.9
161.02480	6.5
166.02734	8.2
167.03506	100.0
168.03888	2.0
175.02351	1.1
181.05070	5.2
194.02205	3.2
195.03032	1.3
209.04564	21.7
228.75935	1.3
241.05017	0.9
269.06818	5.0
296.05350	2.4
297.06216	12.4
299.01984	2.0
300.11444	0.8
311.07736	29.8
312.08075	1.3
313.07233	1.5
329.06714	4.7
376.75336	1.1
391.96530	0.8
393.02774	1.5
479.11993	68.5
480.12314	4.0
505.09647	1.3
521.13104	8.3
522.13354	1.0
623.16046	6.1
755.24054	5.0
791.20459	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	791.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67130	15.9
70.64220	21.7
96.03987	19.5
96.96062	24.7
104.51703	19.0
130.77092	16.2
209.11821	72.3
277.21832	100.0
776.82721	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	793.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
59.01388	100.0
59.75537	1.2
65.53271	1.2
71.01386	8.0
71.41981	1.3
73.02951	2.9
83.01423	2.4
85.02961	6.2
87.00887	5.4
89.02435	1.5
96.96020	5.7
101.02448	3.4
107.01378	1.5
108.38477	1.2
113.02458	6.7
117.03445	1.6
123.04578	1.6
125.06111	1.6
133.02986	5.0
134.03773	4.2
138.22342	1.4
142.79207	1.2
149.02434	2.1
150.03258	3.0
150.55072	1.4
151.00340	3.0
161.04591	2.0
161.96198	1.3
165.05566	2.7
192.62761	1.7
193.05093	4.0
195.06691	2.2
262.13901	1.4
285.04068	24.2
286.04562	2.6
288.97214	1.3
302.78421	1.4
403.19775	46.6
421.20816	15.4
463.21863	16.3
465.80267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26245	0.4
59.01389	4.0
61.98839	1.5
68.46322	0.4
71.01418	0.5
71.03053	0.4
73.02953	4.1
75.00878	10.1
77.95442	0.4
86.60139	0.4
89.02457	0.9
99.00893	3.7
99.92597	11.0
116.03532	0.8
116.92873	100.0
116.97260	11.9
117.01954	12.7
117.05627	0.7
117.92880	2.9
157.25319	0.4
277.21802	0.7
325.51758	0.6
335.17377	1.0
397.13544	1.5
439.13412	0.6
473.10339	0.5
553.82867	0.5
598.28967	0.5
791.75397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	18.9
61.98831	6.4
69.15144	8.9
69.15549	3.7
71.01392	16.1
71.77388	1.6
73.02950	3.8
77.20478	1.5
83.05024	2.1
89.02462	3.4
99.00881	2.4
101.02450	6.0
109.06618	5.9
109.47961	1.9
111.00906	1.5
113.02440	4.7
119.04967	1.8
125.06040	1.7
125.09731	4.6
127.11295	3.4
152.99596	2.2
161.04602	2.8
163.11293	6.1
171.10286	43.8
181.08690	2.2
181.12393	3.8
183.01192	4.0
189.09209	2.6
199.09776	29.3
199.13347	4.0
201.11337	41.2
207.10271	24.1
223.09865	2.1
225.11343	33.5
235.08228	5.5
243.12410	4.6
245.04408	3.3
249.42445	1.7
253.09267	20.3
277.21741	100.0
278.21982	10.1
296.88812	2.3
311.16788	13.3
325.18436	2.5
375.64594	1.9
417.17715	2.8
435.18854	11.3
435.65955	1.7
443.19238	4.1
461.20132	11.3
479.21512	3.0
481.25879	4.4
695.40063	7.6
703.39502	2.8
721.42303	9.4
739.42517	8.2
757.43829	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	794.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	39.3
65.99834	13.2
68.99836	27.3
69.24402	24.6
69.24809	28.8
69.83131	9.7
99.00875	11.4
106.53257	10.1
111.00911	31.4
113.02447	19.0
116.92874	46.9
117.03474	10.1
121.02946	16.9
123.00850	9.9
124.01643	24.3
132.71219	9.5
136.01622	10.4
136.98828	35.5
137.02417	16.2
139.00357	23.4
141.07111	11.4
152.01239	21.6
163.00398	19.5
164.98280	26.2
166.99751	13.0
169.06593	10.1
171.04530	48.4
173.06027	26.0
177.01863	15.9
181.06590	12.1
193.01511	13.2
197.06114	12.8
209.05930	11.5
217.58559	10.1
220.07729	10.1
221.00841	26.4
225.05539	41.8
229.05055	49.1
241.05087	25.8
242.08215	33.8
243.06577	48.3
252.06810	14.5
253.05060	25.7
255.06592	18.0
268.05988	18.7
269.04495	100.0
269.06744	10.7
270.05154	13.1
270.07727	53.6
271.06094	76.6
296.05557	10.5
297.03989	88.6
299.05759	63.3
309.04086	16.6
315.05069	32.8
323.05603	14.6
325.07156	45.3
339.04962	39.7
349.07150	17.2
351.05093	14.0
352.05585	12.3
353.02792	13.5
369.06134	9.8
382.14389	22.5
393.06131	14.8
395.04056	16.3
398.13995	23.9
434.13596	12.5
450.13507	49.3
466.12869	44.4
478.13449	17.5
479.11700	13.1
480.11972	25.0
492.49420	9.6
496.14078	34.2
505.09528	13.5
522.12067	59.2
523.11810	16.1
533.65863	10.4
776.17517	75.4
777.18427	16.7
794.19257	89.0
795.19440	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02367	1.0
64.99980	1.2
65.00330	23.9
65.99839	1.8
70.95695	1.2
83.01396	1.9
83.44751	0.8
87.25625	0.7
91.03307	0.7
92.99837	3.8
96.00904	1.3
96.99314	5.0
107.01392	3.4
111.00813	0.8
111.89423	0.8
112.28351	0.7
120.99328	1.9
136.00420	14.1
136.98824	12.9
139.40508	0.9
145.06604	3.3
149.99545	1.1
151.00404	6.3
163.99913	9.5
164.01120	1.0
164.98299	35.0
169.06531	2.3
171.04532	5.8
173.06018	2.2
175.99858	1.0
180.08134	0.9
185.05994	1.4
187.07726	1.6
197.06110	1.4
199.03983	2.9
211.07655	1.6
213.05591	6.7
225.05577	2.0
226.05046	1.3
227.03514	1.6
240.06662	2.8
241.05116	3.4
243.06680	1.4
252.47424	1.1
253.04951	1.1
255.06653	57.3
256.07059	1.7
268.06174	28.1
269.04556	100.0
270.04865	3.9
270.07602	1.5
271.06085	3.0
280.06122	1.8
283.06174	2.3
284.28836	1.0
296.05667	1.7
333.07794	0.9
347.00577	1.0
406.29364	0.8
481.12827	1.0
492.83444	0.9
494.12552	2.8
506.12231	1.0
508.13977	5.0
522.12097	2.8
523.12317	1.7
524.13538	42.7
524.97620	0.9
525.13684	3.7
552.12482	1.0
562.11426	1.2
578.10852	1.3
580.12756	1.0
748.18518	1.4
750.19592	2.6
775.55109	1.0
776.18231	1.6
826.21887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43750	0.8
61.80356	0.8
63.02402	1.7
65.00327	24.5
65.99844	1.8
69.19839	5.8
83.01384	2.3
89.00350	1.0
92.99821	4.2
95.01453	1.2
96.00911	2.3
96.99310	4.6
107.01402	3.8
110.00121	1.1
116.92862	2.4
120.99344	2.9
136.00406	15.0
136.98820	16.2
137.19962	0.9
141.45425	0.8
145.06610	3.3
149.99527	1.5
151.00394	6.8
157.72166	0.8
157.73540	1.1
163.99921	14.0
164.01173	1.4
164.98308	39.2
169.06638	1.7
171.04521	4.7
172.05238	1.1
173.06091	1.8
177.99135	1.6
183.08067	1.1
185.06030	1.5
192.95949	1.2
197.06105	1.7
199.04022	4.7
211.07712	3.5
212.09123	1.1
213.05573	7.2
224.07222	1.5
225.05498	2.4
227.03651	2.0
240.06624	4.2
241.05049	2.8
243.06560	1.6
255.06651	58.9
256.07025	2.8
268.03842	0.9
268.06158	35.7
269.04550	100.0
270.04874	5.1
270.07758	2.4
271.06064	1.5
280.06238	2.2
283.06189	3.0
481.13010	1.3
494.12665	2.2
506.13000	1.6
508.14105	3.4
522.11871	3.6
523.13019	1.3
524.13556	44.2
525.13733	3.4
657.69592	1.1
747.35596	1.0
750.19830	2.4
776.17969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66603	1.0
63.93710	1.1
68.26379	1.1
70.80127	1.1
79.95748	25.9
80.96545	1.7
85.89423	1.1
110.00120	1.3
124.94489	1.4
163.00392	6.0
196.05391	1.7
198.03265	1.9
224.04822	2.3
226.05533	1.1
268.03778	94.7
269.04065	6.6
283.02847	2.6
283.06116	38.0
284.06464	3.3
309.94919	1.2
363.01825	100.0
364.02515	6.3
387.29892	1.3
441.45374	1.4
537.97870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.6
61.98817	2.1
71.01363	1.3
71.43770	1.4
86.57076	1.0
92.70449	1.0
96.96020	1.2
116.92888	1.1
117.03452	1.3
119.05060	1.7
122.02605	1.2
145.02953	2.5
145.61491	1.1
160.01704	1.6
169.06641	1.4
171.04568	1.6
187.03993	4.1
192.00658	1.2
209.11829	1.6
213.05566	6.3
229.05095	1.6
241.05066	2.0
283.70639	1.2
285.04080	100.0
285.85315	1.3
286.04471	5.1
318.60764	1.1
321.20654	2.1
344.43848	1.3
364.99750	58.7
365.19675	5.3
365.99976	2.4
427.03903	1.4
602.60419	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22701	4.6
59.01377	9.6
61.98823	15.6
71.42957	5.3
72.21146	4.9
72.55342	5.2
80.98046	5.2
93.40591	5.7
93.63828	4.3
117.03476	5.2
119.05038	75.1
135.04500	5.8
145.02931	7.8
148.74559	4.7
152.96513	21.2
154.98079	14.8
163.00388	10.6
174.72395	5.1
180.95993	15.8
194.74205	5.3
211.68219	5.0
244.02516	8.2
273.02267	6.4
277.00354	5.5
292.78909	5.9
301.01758	14.7
385.02051	6.0
471.34912	6.0
494.11682	6.2
650.10760	8.9
670.10492	6.3
673.27301	6.4
778.12628	8.0
796.14709	100.0
797.14502	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	797.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70639	0.7
77.64281	0.8
79.95696	0.9
85.62392	0.7
85.87022	0.7
91.77702	0.7
98.21880	2.2
117.03443	4.9
135.44434	0.8
154.04262	1.6
161.02518	1.0
170.32841	0.9
178.99872	3.0
198.03149	1.4
216.51448	0.9
226.02754	8.1
235.03957	1.2
238.02876	0.9
240.39146	0.8
254.02219	4.1
269.04544	9.2
297.04056	100.0
298.04419	5.3
312.06418	18.6
313.06796	1.2
327.08755	97.4
328.09076	6.0
407.04440	94.3
408.04843	7.4
560.85553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	4.3
65.99844	7.6
71.41577	2.5
78.90304	2.4
79.35328	2.9
96.51871	2.3
110.02467	4.5
120.00912	6.1
123.00897	11.0
123.03252	3.7
134.02498	4.3
135.03267	5.4
136.00406	7.1
138.01961	3.3
144.29247	2.4
151.02747	5.3
163.99869	8.7
165.00739	3.3
166.01468	2.5
171.04590	4.4
173.05971	3.4
175.99924	5.3
185.06219	3.1
186.01933	3.4
191.99408	6.4
192.03050	6.0
218.01004	3.8
224.07228	3.1
226.05037	4.3
226.08679	4.5
236.07225	3.0
240.06738	5.6
242.08228	42.6
243.01622	3.2
268.06192	23.0
270.07727	100.0
271.08066	5.9
280.03622	3.1
280.06125	18.4
296.05673	83.5
296.09091	5.1
297.06052	2.6
306.07593	3.9
312.08737	3.9
324.05054	17.2
334.03705	2.8
340.08282	38.2
350.06546	5.7
352.08237	7.8
375.07477	4.5
378.06085	8.7
394.09308	22.1
400.11847	3.2
411.28262	3.2
420.07294	5.1
438.09464	23.2
450.32141	2.9
482.12448	16.1
500.13641	26.1
506.12262	4.8
508.10492	6.7
510.11636	4.1
526.11206	9.9
528.12848	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	797.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.0
61.98832	0.7
62.84631	0.5
67.15026	0.6
69.67738	1.7
71.01379	2.4
72.00977	0.6
73.02950	8.9
83.01399	1.8
85.02969	0.6
98.22553	1.1
101.02454	8.0
108.02207	0.5
113.02492	0.9
119.05035	1.5
119.09270	0.5
122.02464	0.7
125.02444	1.0
143.03485	1.0
151.33527	0.5
161.04582	1.6
164.83665	0.5
203.05632	2.1
241.53333	0.6
283.02496	0.9
301.21750	100.0
302.22064	6.0
315.23343	1.8
343.22952	0.9
505.27744	0.9
547.28918	0.9
630.78271	0.5
667.33301	2.0
680.77350	0.7
693.27234	0.8
709.34399	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	798.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	3.6
82.61543	2.2
101.02438	3.0
111.00790	2.4
139.09984	2.0
165.12920	3.3
183.01315	2.5
194.20416	2.6
203.23602	2.4
209.11852	100.0
210.12309	2.6
216.32886	2.8
227.12946	13.4
252.29776	2.5
253.09280	8.9
267.94250	2.4
277.21747	75.8
278.22070	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	799.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.89767	0.3
61.98141	0.3
71.01396	0.9
73.02953	0.8
85.02965	1.0
92.02707	0.6
95.01441	0.6
101.02444	0.5
108.02183	2.3
109.49134	0.3
113.02467	1.2
121.02964	0.4
123.04525	0.3
132.02177	0.4
133.02965	3.4
135.04535	1.8
136.01678	89.7
137.02023	1.2
149.02499	0.5
151.04025	100.0
152.04417	1.6
158.03816	0.3
161.02470	10.3
177.01958	0.3
193.05067	0.6
203.37140	0.2
203.87119	0.3
224.84439	0.3
461.16269	0.3
531.78107	0.3
623.19653	3.3
799.23352	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
86.64640	0.8
93.03444	2.4
117.03478	16.5
119.05000	2.1
133.44505	0.8
145.02916	1.0
149.02443	1.9
149.73582	0.9
161.02452	2.5
173.02449	8.5
177.05525	1.0
185.02400	2.4
187.04036	3.0
189.01953	4.7
197.02492	1.9
203.03609	0.9
215.03470	3.6
217.01431	3.2
241.01489	1.6
245.04700	1.0
263.07181	1.3
269.58646	0.8
272.61063	0.9
305.04630	6.9
306.05341	8.0
307.06049	10.2
308.06619	1.1
335.05634	39.0
336.05948	2.2
337.63541	0.9
353.06851	1.1
365.06607	1.9
380.99380	1.0
395.07657	1.8
423.44470	1.0
455.09851	100.0
456.10226	7.4
572.36804	0.8
575.14081	90.6
576.14600	8.3
593.15027	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.8
66.88076	0.6
69.13200	3.9
93.03465	4.4
96.96030	0.9
98.21889	1.4
108.25765	0.6
117.03477	24.0
119.05090	1.0
121.02998	2.2
131.05099	0.6
135.04602	0.8
136.04054	0.8
145.03000	1.3
149.02469	6.1
161.02452	3.4
163.04057	1.5
164.04813	2.2
171.28226	0.6
173.02472	11.1
175.04053	0.8
185.02489	2.8
187.04042	4.0
189.01978	5.6
197.02443	3.7
203.03633	0.7
208.03787	0.8
215.03522	6.6
217.01469	5.6
219.42090	0.8
223.06189	1.0
241.01501	2.4
261.05496	0.8
263.03061	0.7
263.07217	1.3
278.05872	0.8
279.06592	0.7
293.04633	1.7
305.04556	7.7
306.05386	8.0
307.06155	11.6
317.04614	1.0
335.05637	86.6
336.05823	4.8
338.04059	0.7
353.06863	1.6
365.06793	2.9
377.06335	0.9
383.07791	1.0
395.07635	2.1
431.58948	0.6
455.09869	92.6
456.10315	7.9
575.14099	100.0
576.14441	7.4
593.15094	7.0
594.15698	0.8
614.41821	0.8
652.92188	0.7
799.20703	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	799.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33051	0.7
59.01392	1.1
93.03468	4.3
94.60443	0.7
96.63238	0.7
97.06575	0.9
117.03481	30.4
118.03840	0.9
119.04971	0.7
121.23819	0.8
123.04523	1.0
131.39676	0.7
131.55002	0.7
135.04532	0.9
145.02934	1.2
145.06613	0.9
147.08008	0.9
149.06088	4.9
151.07642	1.0
159.04510	4.3
161.02440	4.4
163.07771	0.9
173.06046	3.6
180.38556	0.8
185.02415	1.3
191.07149	2.8
193.08641	1.5
199.04007	1.1
213.05653	1.0
215.03943	0.8
217.05083	2.0
217.08817	0.9
235.09720	2.6
238.06381	0.8
249.09351	1.6
257.04526	1.2
261.07672	5.0
264.04550	1.0
265.04919	2.0
265.08682	1.9
267.10321	3.1
281.08185	0.9
283.09634	0.8
293.08252	3.6
293.11755	0.9
309.11270	0.8
311.09320	10.1
311.12662	1.5
337.10776	3.6
354.11115	0.8
355.11899	100.0
356.12186	7.9
381.05109	1.6
381.09848	21.1
382.10172	2.5
399.10870	15.6
400.11255	1.0
448.57669	0.9
502.30588	1.0
625.86591	0.8
635.93359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.3
69.45486	2.2
69.45878	1.1
93.03455	4.8
97.06606	0.9
117.03479	31.9
121.06644	1.0
122.11226	0.7
123.04536	0.9
135.04559	1.9
137.06055	0.9
145.06618	0.7
147.04546	1.0
149.06104	5.0
159.04541	2.0
161.02480	4.2
171.48286	0.7
173.06105	2.4
175.07675	0.8
185.02448	1.2
185.06165	0.8
191.07182	3.2
193.08762	1.2
201.05609	1.5
217.05098	2.6
221.82819	0.7
227.07176	1.4
235.09743	3.9
237.05714	0.9
253.04988	0.7
257.04712	0.7
261.07660	3.3
265.05173	1.0
265.08630	2.0
267.10239	3.4
281.08267	1.7
283.09784	1.1
293.08383	3.8
293.11478	1.0
309.11563	1.2
311.09283	11.3
311.12738	1.4
313.03781	1.0
337.11017	3.3
355.11896	100.0
356.12189	5.1
369.34637	0.8
381.09833	12.5
381.90842	0.8
383.20712	1.8
388.15295	0.8
399.10904	13.0
604.20618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
59.01382	13.9
59.01675	1.4
69.03487	0.9
71.01390	17.7
71.41389	0.9
72.99306	2.8
73.02955	1.6
75.00864	4.2
78.73061	0.8
79.95731	3.4
85.02959	21.4
87.00890	4.2
89.02441	5.1
89.04025	0.9
92.38528	0.7
93.89153	0.8
95.01357	5.8
96.96012	2.8
97.02921	1.4
99.00908	4.9
101.02442	2.4
103.00388	1.7
113.02462	31.0
115.00371	2.5
117.01926	2.1
119.03482	1.7
123.04526	2.4
132.02164	2.5
133.02966	37.3
134.03677	1.5
135.04533	22.7
136.04866	0.9
139.00316	1.2
153.01958	0.9
153.05568	1.6
159.92084	0.9
160.01665	1.4
161.02457	100.0
162.02812	2.7
165.99091	1.5
170.99327	1.2
175.02498	2.1
179.03496	2.4
189.05638	0.9
225.96094	0.9
236.97932	1.7
285.04022	2.7
298.01544	0.9
300.02774	10.0
301.03149	1.0
313.03452	1.2
315.05154	21.3
315.10873	3.2
316.05560	1.4
352.72705	1.0
389.36502	0.8
395.00784	30.5
405.80902	0.9
408.98642	0.9
461.16861	6.2
533.29498	0.9
623.19891	13.0
637.19879	40.3
638.20221	3.5
799.23059	30.1
800.23364	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	799.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.5
59.01385	9.5
67.01890	0.4
68.17189	0.4
69.03459	0.5
69.23704	1.7
71.01391	9.2
72.01757	0.6
72.99326	1.1
73.02977	1.1
75.00884	2.2
81.87352	0.5
83.01385	0.8
85.02956	12.0
87.00889	2.4
89.02462	4.5
95.01402	4.3
97.02965	0.5
99.00901	2.1
101.02457	1.2
105.68546	0.5
109.02972	0.6
111.00877	0.9
113.02457	19.6
117.03455	2.4
119.05040	1.4
123.04530	2.0
124.49175	0.4
132.02174	2.3
133.02974	28.5
134.03746	1.5
135.04539	18.7
136.04869	0.5
136.98811	0.8
139.00414	0.9
153.01939	1.5
153.05606	1.5
157.56607	0.5
160.01653	3.1
161.02463	100.0
162.02827	2.9
166.99905	1.4
175.02496	2.0
175.04030	3.2
176.42064	0.5
179.03526	6.5
181.01439	0.6
193.05002	0.5
203.07172	1.5
233.04713	0.8
239.16794	0.5
251.05573	1.5
269.04520	0.7
285.04050	3.8
286.04398	1.2
287.05658	6.2
301.03467	1.8
302.03870	0.9
310.82944	0.5
315.10876	1.1
380.99121	0.8
382.99231	0.6
386.88080	0.5
454.13651	0.5
461.16736	5.0
463.08936	3.1
542.49036	0.5
623.19873	33.5
624.20502	3.3
799.23163	32.0
800.23798	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	799.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01382	5.8
69.31821	1.6
71.01385	6.9
72.99314	0.7
73.02950	0.7
75.00875	0.6
84.02217	0.4
85.02957	8.0
85.03468	0.4
87.00881	0.9
89.02458	2.0
95.01391	2.8
97.02975	0.4
99.00881	1.1
101.02463	1.5
105.03423	0.6
108.02184	0.4
113.02459	14.8
117.03457	0.7
119.03487	0.4
121.93290	0.3
123.04523	1.1
132.02196	1.2
133.02966	29.0
134.03343	0.7
135.04532	14.0
136.01674	14.7
136.04811	0.5
137.02118	0.4
151.04008	20.0
152.04333	0.7
153.05600	1.3
161.02452	100.0
162.02794	2.6
175.02464	1.2
175.03911	0.5
179.03505	2.6
179.28868	0.3
233.04349	0.4
315.10840	1.0
388.64819	0.4
395.00848	0.3
461.16736	3.5
623.19806	40.0
624.20001	2.8
637.19666	0.5
665.20801	0.4
799.23096	16.4
800.23749	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
58.36106	0.6
59.01387	6.7
63.49004	0.6
69.42232	1.5
69.42622	1.3
71.01391	8.6
71.81606	0.6
72.99346	0.9
73.02949	0.9
75.00889	1.3
79.14136	0.6
79.95745	2.5
85.02954	11.3
87.00871	1.5
89.02449	3.3
95.01393	4.1
96.96024	0.7
99.00879	1.7
101.02436	1.1
111.00915	0.6
113.02466	18.9
117.01962	0.8
117.03493	0.9
123.04532	1.3
130.06335	0.6
132.02190	0.9
133.02968	27.7
134.03644	1.3
135.04541	18.8
153.05562	1.3
160.01683	0.8
161.02457	100.0
162.02754	2.9
175.02507	1.0
175.03961	0.6
179.03532	6.3
193.05119	0.9
233.04709	0.8
236.97957	1.7
251.05814	0.7
281.32095	0.7
298.87714	0.6
300.02725	2.8
315.05176	6.7
315.10886	1.5
317.34943	0.6
395.00787	10.6
461.16721	4.8
623.19812	44.6
624.20245	3.9
799.23059	23.7
800.23572	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	799.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.6
61.33913	0.6
63.14114	0.6
69.03451	0.7
69.82221	1.3
69.82607	1.4
71.01390	6.4
72.62183	0.6
73.02956	20.0
74.76945	0.5
81.20761	0.7
83.01390	4.0
85.02967	1.5
89.02451	1.8
97.02970	0.9
97.36790	0.5
101.02455	10.6
113.02463	2.2
115.64252	0.6
121.97258	0.5
125.02506	0.7
131.03514	0.6
161.04610	1.0
194.02048	0.6
202.06430	2.1
239.21120	0.6
253.12178	0.6
255.10280	0.9
269.11914	4.9
270.12650	1.8
285.15005	27.9
286.15326	2.1
295.13406	0.6
297.11371	0.8
311.13239	0.9
311.16553	7.8
313.14481	9.4
314.15048	1.8
319.67267	0.6
327.16125	0.9
328.16687	1.2
329.17615	57.4
330.18033	4.0
345.17038	2.3
371.18564	1.6
373.16568	9.7
383.80734	0.7
388.18951	14.2
389.19733	100.0
390.19974	6.8
417.88791	0.6
454.30731	0.8
492.71167	0.6
528.41302	0.6
533.24042	5.0
551.25531	1.0
595.69244	0.6
623.19574	1.0
648.35413	0.6
713.30609	2.6
755.31360	57.0
756.31952	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	799.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.6
61.98843	6.1
62.56790	3.2
71.01386	3.9
87.04517	15.4
97.06650	4.1
101.05463	6.5
101.06094	94.1
113.06100	50.3
115.04022	95.6
115.07658	74.5
119.08669	12.0
125.02440	4.6
128.95604	3.4
143.07153	34.7
163.07654	46.6
171.06636	23.0
195.13979	3.8
222.06636	3.2
223.13538	5.1
255.13908	11.3
269.42334	3.3
273.15005	100.0
275.20218	4.3
293.18060	3.8
293.21170	50.9
329.17172	3.6
445.22287	30.6
603.75049	3.6
723.41748	3.9
768.83771	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	800.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.5
70.81270	0.8
136.98820	0.6
145.93843	0.4
152.01180	1.5
164.98305	2.0
180.00644	1.9
183.04485	0.6
255.03027	3.3
269.04553	1.3
269.64951	0.4
283.02496	47.2
284.02893	2.7
297.04025	1.4
298.04858	28.3
299.05197	1.4
313.07199	94.5
314.07550	6.6
393.02896	100.0
394.03156	5.9
574.71179	0.5
766.35175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.9
59.01386	27.7
61.25749	1.0
65.00333	2.5
67.01880	1.4
67.33266	1.0
68.99823	3.1
70.08836	3.4
71.01392	26.0
72.99303	2.9
73.02948	1.7
75.00874	9.5
75.68401	1.2
81.03491	1.7
83.01415	1.4
85.02955	46.0
87.00894	10.3
89.02460	3.4
91.01910	2.0
95.01411	12.5
96.99338	1.5
98.21965	1.3
99.00889	17.0
101.02472	3.3
103.00395	6.5
107.01426	2.5
108.02180	5.7
109.02951	4.7
111.00914	1.4
113.02462	77.5
115.00361	3.2
117.01958	4.2
117.03471	2.2
123.04517	10.1
123.09570	1.3
125.02531	1.4
129.01973	4.0
136.98795	5.4
139.00414	1.5
151.00429	3.0
152.01172	7.8
153.01993	7.2
164.98302	6.3
166.02618	1.5
167.03520	20.5
175.02505	25.0
180.00665	1.4
183.04564	4.5
185.02400	2.0
209.04546	3.0
211.03984	3.3
239.03473	2.4
255.03015	14.3
269.04517	3.1
269.06967	1.9
283.02521	70.8
284.03122	3.6
296.05270	1.9
297.03827	6.3
298.04846	78.2
299.05377	4.0
311.08023	7.7
312.06387	1.6
313.07199	45.4
314.07617	2.6
355.08231	1.2
422.35699	1.4
423.93192	1.2
489.10434	3.3
567.77203	1.2
611.14294	5.3
625.15680	100.0
626.16229	10.7
801.18732	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	801.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
59.01369	5.3
62.46104	1.4
69.20221	8.2
71.01373	5.6
73.02958	1.3
78.95876	1.1
79.39243	1.1
85.02933	1.6
93.03460	3.0
99.04537	3.4
101.02467	7.3
110.66405	1.4
111.00901	3.0
113.02460	2.1
119.05049	2.7
121.02956	8.6
122.03750	12.4
123.04455	2.3
132.02153	3.2
133.02969	10.2
134.03752	51.8
135.04507	2.3
136.01608	3.2
137.02460	4.0
140.80479	1.3
147.04524	15.5
148.05322	8.1
149.02448	15.2
149.06067	16.5
150.03236	77.6
151.04012	6.8
153.05540	2.4
160.01666	24.1
161.02481	2.4
161.13411	12.1
162.46065	1.4
163.07681	1.5
164.04813	4.0
165.05573	90.4
166.05899	2.2
175.04015	36.2
176.04803	38.6
177.01912	8.9
177.05212	2.1
178.02713	20.6
179.03450	2.5
180.04269	6.0
181.04997	2.4
187.11287	2.9
191.07153	47.9
192.04297	3.1
192.07367	1.4
193.05072	100.0
194.05405	1.7
195.06633	58.9
205.12340	23.8
207.06638	3.8
217.05008	3.4
220.03853	7.2
235.06114	88.2
236.06418	2.2
247.06091	1.6
249.11313	20.7
250.06328	3.2
265.07132	17.1
282.08804	5.0
285.04141	9.3
286.04614	1.6
295.08270	25.4
300.02863	2.7
315.05090	1.8
341.10242	17.3
342.10458	1.4
355.10376	4.3
383.11328	11.6
389.12427	70.7
390.12750	4.7
413.12238	2.4
431.13507	55.1
432.13605	3.6
461.14487	5.5
491.15564	20.6
528.25037	1.5
551.17590	1.9
757.30743	3.9
801.29498	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	801.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.0
63.31618	1.0
63.58498	1.1
65.00319	3.2
65.00652	1.1
71.01386	8.1
73.02942	2.5
83.01377	2.4
85.02961	3.8
86.79087	1.2
89.02461	1.7
89.48403	1.1
93.03454	1.6
95.01395	3.6
96.96028	1.4
101.02460	4.1
111.00890	3.4
113.02454	3.6
119.03525	1.5
119.05038	21.6
123.00888	2.7
124.01670	3.6
125.02446	2.3
135.00864	1.3
136.98839	7.7
137.02495	1.7
139.00386	15.6
152.01151	1.1
153.01950	30.7
161.04576	4.7
161.21358	1.3
164.98254	2.1
166.99872	19.9
174.62778	1.3
181.01451	13.0
191.03549	2.3
193.01482	3.1
208.03522	1.1
217.04799	1.2
241.05081	1.5
259.06100	3.7
269.04630	1.5
285.03998	1.6
287.05634	100.0
288.06009	4.0
308.44394	1.3
351.21899	4.8
386.42700	1.2
469.28296	2.3
476.10522	1.2
513.27069	26.0
514.27496	1.9
542.30792	1.3
693.60162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67586	0.4
69.23673	2.3
79.95741	4.0
86.10110	0.4
98.22675	0.8
110.00110	2.8
111.00878	0.9
113.33749	0.4
133.02956	0.5
135.04503	1.8
137.99614	2.2
139.00369	1.8
142.54289	0.4
151.00354	0.5
152.03108	0.4
153.01971	2.2
161.02464	1.3
162.02806	0.5
165.99069	4.9
167.03528	0.6
171.72150	0.4
176.37585	0.4
181.01492	1.0
193.01265	0.4
197.00174	0.4
211.04041	0.6
228.04343	0.4
236.97852	0.6
256.03793	1.0
298.01254	0.5
299.01807	0.5
300.02777	32.7
301.03134	1.5
313.03580	2.7
315.05121	71.6
316.05508	3.1
395.00797	100.0
396.01028	5.2
397.00879	0.6
474.96442	1.0
727.11249	0.5
732.88770	0.5
802.23700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07512	0.9
65.00330	1.9
79.86820	0.8
82.00596	1.5
110.00106	13.1
117.03499	1.8
119.05060	2.8
123.00912	1.9
130.49625	1.0
137.99606	6.5
138.03235	1.6
152.01201	1.0
152.74698	0.9
153.01949	2.8
153.05560	1.4
157.06602	0.8
159.97197	0.9
161.02469	3.5
164.01207	0.9
164.98349	2.8
165.99088	13.8
166.99863	1.2
182.02260	3.0
183.02908	1.0
183.04459	1.4
187.29811	1.0
197.04568	3.7
207.68855	0.8
211.03999	1.2
212.04724	2.5
214.02725	1.9
219.26039	0.8
222.79654	0.8
225.73880	0.8
227.03517	1.8
235.95721	0.9
240.04359	1.1
255.03015	1.7
256.03568	1.9
262.39676	0.9
267.03198	1.0
269.04434	0.9
274.07187	0.9
283.02496	17.1
284.03220	65.3
285.03418	4.3
297.04034	1.2
298.04858	9.9
299.05597	100.0
300.05841	7.0
313.07153	24.2
314.07535	18.2
315.07941	4.5
316.07990	2.0
327.07266	1.1
380.80801	1.1
393.02811	16.3
394.03104	14.5
395.02856	15.2
396.03232	9.7
396.76279	0.9
443.09805	1.3
461.10977	4.1
568.28473	0.9
641.15112	36.7
642.15625	2.9
803.20190	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	803.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.2
68.99820	1.8
69.09855	10.4
71.01363	3.2
75.51729	1.3
81.03476	2.7
83.01394	2.8
93.03460	16.4
117.03460	1.4
119.05047	9.2
121.02982	3.2
122.03776	3.8
123.04551	2.3
135.04561	3.0
137.02435	2.1
139.03955	1.5
145.02965	2.2
147.04538	3.5
149.02472	22.3
150.03253	21.4
153.97314	1.4
161.02469	4.9
161.06084	2.7
162.03212	1.9
163.04050	16.2
164.04741	3.4
165.02052	1.4
165.05594	25.4
167.03516	3.8
173.02357	1.6
173.06064	1.4
175.04008	7.5
177.05608	3.2
178.40465	1.7
180.04199	1.7
189.01944	4.6
189.05579	5.1
190.02679	3.9
190.06401	1.7
191.03522	45.0
195.06673	11.1
203.03529	16.4
204.04204	3.5
205.05080	13.7
209.04480	3.5
217.01349	1.9
217.05019	4.8
218.05875	2.4
219.34616	1.4
221.04454	2.9
223.06155	1.6
230.02190	2.7
231.02890	3.0
231.06581	2.0
233.04564	60.7
234.04839	1.8
245.04549	12.7
247.06157	4.5
259.06165	2.2
263.05640	15.6
275.05627	13.2
287.05658	2.3
297.07611	5.1
309.07602	3.4
315.08688	1.6
321.07614	4.6
322.08551	2.0
323.09290	1.5
325.07037	3.3
336.10056	2.0
337.07205	4.4
339.08743	100.0
340.09177	6.2
351.08710	5.0
352.09512	2.1
353.10373	1.9
355.11902	8.7
357.09872	7.7
367.11942	11.6
369.09830	53.5
370.10071	3.2
381.09882	34.5
382.10599	1.9
387.10724	6.5
388.10983	1.5
399.10760	2.9
411.10916	13.6
417.11734	3.7
441.11874	10.7
459.13013	45.5
460.12863	2.5
471.12988	2.5
477.14212	6.4
483.12933	2.0
489.13971	13.9
490.13654	1.5
503.17007	5.1
507.14767	1.7
519.16254	4.9
533.17975	7.2
551.19177	2.9
561.16223	3.3
579.17285	6.6
581.20343	34.1
669.61823	1.8
683.19812	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	13.3
59.01387	8.5
66.03495	1.5
71.01389	1.7
72.00900	0.7
74.02480	25.6
78.03520	0.8
79.33209	0.6
81.04596	1.8
82.02989	3.0
84.00916	0.6
84.04555	1.2
86.02491	9.1
86.06141	2.5
87.05634	4.5
95.02506	0.9
96.04575	0.7
96.96019	1.0
97.04102	3.8
97.07751	0.9
98.57915	0.7
99.05656	23.3
101.07227	4.4
102.05628	5.4
107.06201	0.9
109.04079	6.2
109.07744	1.9
110.06068	0.9
111.05662	2.0
112.04073	3.1
116.01841	0.7
122.02499	46.0
123.02811	1.1
123.05654	2.3
124.04034	1.4
125.03581	2.3
126.02017	0.9
126.04365	1.9
127.05138	4.2
128.03563	66.8
129.03928	0.8
135.05673	8.4
137.07222	2.0
139.05203	1.1
141.06705	3.4
143.04642	83.9
144.05022	1.4
145.06207	3.7
146.04617	7.9
149.07172	1.1
153.06654	4.3
155.08290	0.9
166.09889	4.5
167.04662	3.0
167.08253	5.6
170.03297	1.8
171.04158	1.6
179.02145	1.0
179.04646	23.3
181.06245	2.0
184.10860	1.0
185.05725	3.4
192.07809	1.9
197.05685	2.5
197.87090	0.9
199.07416	0.9
210.08852	18.6
228.09920	1.6
236.06873	1.0
254.07837	56.6
255.08147	2.0
272.08896	100.0
273.09351	3.9
551.24353	2.0
590.44354	0.9
620.27832	0.8
662.27594	0.9
674.27124	1.4
680.28406	5.3
681.29083	0.9
743.28589	0.9
771.28906	0.8
785.30414	2.8
803.31848	37.6
804.32190	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	803.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14403	0.6
60.19391	0.6
61.35218	0.6
61.98850	4.2
66.70181	0.7
71.43036	0.8
79.95733	1.4
80.96523	1.1
84.51239	0.7
103.63219	0.6
119.05108	0.7
133.06583	0.7
137.26367	0.7
170.00513	0.8
183.01228	15.9
184.01854	1.6
197.02788	16.2
198.03598	6.4
216.00754	0.7
230.02641	1.1
297.15320	100.0
298.15561	5.0
311.16949	1.2
370.49792	0.7
374.86841	0.8
756.21368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.405
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96540	0.2
61.98838	1.3
64.17789	0.3
79.95760	0.9
93.78189	0.2
94.72781	0.2
96.95984	0.3
109.91072	0.2
113.32037	0.3
119.05014	0.7
121.02969	0.5
134.28214	0.2
162.29472	0.2
170.00464	0.8
176.65869	0.3
179.96635	0.3
183.01218	26.2
184.01956	1.7
197.02824	2.7
198.03590	1.2
212.04996	0.2
214.96213	0.3
216.00961	0.3
225.05748	0.3
229.35918	0.3
230.02618	0.3
233.18971	0.3
265.14969	0.5
297.15308	100.0
298.15616	5.4
712.66119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
58.02975	4.0
59.01383	14.3
67.36395	1.2
71.01389	22.5
84.58768	1.1
85.02949	22.3
88.04033	11.9
89.02458	4.7
89.24576	1.2
95.01395	8.7
101.02449	3.3
107.31511	1.2
111.00829	1.2
113.02461	43.7
113.03268	2.2
123.04554	2.3
135.04539	29.8
153.05592	2.0
157.13533	1.4
161.04532	2.4
180.06708	3.9
216.60614	1.3
315.10782	3.0
342.09579	2.1
342.24112	10.9
407.72290	1.3
461.16672	100.0
462.16992	5.2
789.89838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91002	0.6
61.98837	100.0
69.44149	3.0
79.97933	0.6
80.96536	0.9
98.21898	1.2
114.64091	0.6
130.81358	0.6
175.20761	0.6
330.33838	0.6
348.74127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.163
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	2.7
69.66827	0.9
75.16164	1.2
75.77686	1.0
85.02977	1.8
85.92008	1.0
95.23503	0.9
108.02207	1.2
110.00094	5.9
111.00938	1.3
113.02432	1.4
134.03737	2.5
135.04535	1.3
136.98811	1.4
137.99638	1.8
153.01938	1.1
158.03711	1.2
164.01094	1.2
165.99040	5.4
200.04861	1.4
201.01949	1.4
227.03560	3.1
228.04297	2.5
230.02203	2.5
283.02570	3.1
298.04791	2.2
300.02771	67.5
301.03134	1.8
313.07123	2.6
315.05130	100.0
316.05322	3.9
339.45078	1.1
543.58264	1.2
646.54089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27727	1.5
59.01385	20.4
61.92369	1.4
69.22455	7.9
71.01373	1.6
75.11167	1.4
81.27316	1.2
83.41734	1.2
86.26966	1.4
88.98860	1.9
89.69955	1.2
91.63190	1.6
92.35613	1.7
93.03433	2.3
113.02457	2.0
121.02936	4.6
122.03721	10.9
133.02963	2.2
134.03763	3.2
135.04498	1.9
136.01656	2.0
149.02458	23.1
150.03242	93.6
151.03586	2.9
155.88788	1.4
161.02470	2.8
164.04839	7.1
165.05580	100.0
166.05855	2.8
175.03998	2.5
177.05650	1.7
180.04272	7.6
191.36038	1.3
193.05080	6.4
194.05315	1.5
195.06642	50.5
196.07019	1.8
240.72398	1.5
242.65588	1.4
263.06955	1.8
268.07443	1.6
283.09720	2.4
299.09207	1.5
307.09781	1.7
308.06973	2.0
308.10541	2.7
309.07666	1.8
312.06561	2.3
322.08740	1.6
323.09235	4.2
324.09991	3.1
325.10873	2.8
326.11609	4.9
327.08679	5.6
337.10757	1.5
338.11597	1.6
339.08829	12.0
339.12448	2.0
340.09320	2.5
341.13806	2.7
342.11087	11.3
354.11105	5.8
357.13425	24.4
369.13464	31.2
370.13452	1.8
387.14218	2.6
472.15399	2.4
487.17767	2.9
505.18869	5.4
535.19751	46.2
536.20215	3.0
565.21008	2.7
583.21906	93.4
584.22168	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	805.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.9
71.00607	1.5
71.01418	1.5
71.39853	1.4
87.00909	2.5
99.23548	1.3
99.98946	1.7
109.02959	5.4
113.02529	1.8
115.00402	3.8
122.06161	2.6
123.00892	2.8
136.01732	3.2
137.02470	26.9
137.46236	1.6
150.03246	3.4
151.00389	14.3
151.04036	3.0
152.01173	2.5
152.04807	4.2
164.01093	1.7
164.04716	1.9
165.01947	100.0
165.05548	7.5
166.02730	37.5
167.03491	3.1
174.01735	1.7
175.02580	2.4
175.04060	1.8
177.01936	2.3
177.05511	1.7
179.03520	24.0
179.07149	2.0
180.04294	66.5
181.05077	39.4
191.03403	1.5
193.05092	2.9
194.05855	5.4
195.06648	85.0
196.07063	1.8
205.05095	7.7
207.06667	3.8
210.05338	13.2
213.10349	2.4
220.07498	3.8
222.40314	1.4
225.07716	74.1
227.07076	2.0
241.13556	1.7
285.12497	6.0
290.19150	2.0
291.11417	1.8
359.11127	2.2
386.13812	1.8
387.10724	6.0
387.14590	6.3
398.15460	2.2
402.13159	4.2
403.14005	3.3
416.14752	4.4
417.15594	60.1
553.24359	3.0
565.18921	3.2
595.21893	61.4
595.31470	3.5
596.22272	4.8
597.23676	11.4
629.26300	24.3
643.24115	27.3
644.24506	2.2
687.27594	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	807.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
59.30062	3.2
68.76819	3.1
70.74982	3.0
71.01383	4.4
76.01566	3.1
79.95747	5.4
85.02950	6.0
87.07494	3.4
95.01424	5.5
98.21868	8.3
99.00890	19.3
111.00895	28.1
113.02443	8.0
123.00898	10.4
135.04549	5.2
139.00375	41.2
141.00862	6.2
141.01956	100.0
153.01912	3.9
161.02486	9.3
183.68550	3.7
192.76347	3.4
202.97905	3.3
228.94359	3.7
285.04205	7.5
301.03549	18.9
303.05136	65.0
304.05380	4.1
326.96313	7.9
327.10898	7.9
479.08304	70.5
571.28882	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	807.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98840	5.6
71.01398	43.3
73.02968	5.6
75.00893	6.7
78.95905	10.0
85.02963	10.7
87.00868	11.4
89.02465	35.9
96.96011	8.0
96.96996	3.8
99.00826	3.5
101.02438	29.0
113.02468	24.4
119.03490	6.5
121.13766	3.7
125.02444	5.2
131.08298	5.6
139.00293	4.9
141.01744	22.5
143.03537	7.7
145.06143	4.7
153.01704	16.1
159.52925	3.6
161.04506	4.8
165.01709	10.7
173.10468	4.9
179.05594	19.8
193.03481	5.1
207.05298	4.7
221.06680	7.4
225.03853	4.8
243.04883	18.1
284.35858	3.9
285.06049	4.2
307.93427	4.0
341.10880	7.8
383.11832	25.5
387.09210	6.1
405.10202	28.2
470.30298	4.1
525.04767	5.2
658.78522	5.0
665.21466	52.0
687.19574	91.8
688.19788	7.3
774.69171	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	807.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98840	5.6
71.01398	43.3
73.02968	5.6
75.00893	6.7
78.95905	10.0
85.02963	10.7
87.00868	11.4
89.02465	35.9
96.96011	8.0
96.96996	3.8
99.00826	3.5
101.02438	29.0
113.02468	24.4
119.03490	6.5
121.13766	3.7
125.02444	5.2
131.08298	5.6
139.00293	4.9
141.01744	22.5
143.03537	7.7
145.06143	4.7
153.01704	16.1
159.52925	3.6
161.04506	4.8
165.01709	10.7
173.10468	4.9
179.05594	19.8
193.03481	5.1
207.05298	4.7
221.06680	7.4
225.03853	4.8
243.04883	18.1
284.35858	3.9
285.06049	4.2
307.93427	4.0
341.10880	7.8
383.11832	25.5
387.09210	6.1
405.10202	28.2
470.30298	4.1
525.04767	5.2
658.78522	5.0
665.21466	52.0
687.19574	91.8
688.19788	7.3
774.69171	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	807.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.4
59.01383	5.2
69.03470	4.5
71.01393	1.0
80.02699	1.0
82.51500	0.6
83.05001	0.6
85.02971	1.1
96.95998	2.0
97.02957	3.3
99.04507	0.7
105.53734	0.6
107.05019	1.7
109.06605	1.8
113.02443	0.8
119.05032	2.1
121.02986	0.7
121.06566	0.5
133.02913	0.6
135.04558	1.7
135.08160	3.0
136.30685	0.6
147.08226	0.7
147.11800	0.8
148.05318	0.9
163.07619	1.1
166.58775	0.6
173.09578	0.7
183.07811	0.6
189.12874	2.0
191.14442	1.1
194.15660	0.5
215.10715	0.9
219.13808	0.8
229.16005	5.4
233.11801	2.1
235.13402	0.8
243.17612	1.3
245.19101	7.2
261.18680	1.5
263.12933	1.3
269.15509	0.8
271.17029	0.8
273.15012	2.5
289.18085	6.3
290.18716	0.7
291.64447	0.6
319.12601	0.6
333.17078	20.4
334.17337	1.3
377.16080	100.0
378.16437	6.9
395.04471	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	809.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54647	0.4
62.40300	0.4
69.06665	0.5
79.95743	23.8
80.96495	1.3
80.99058	0.4
95.81653	0.4
102.61649	0.4
110.00095	1.1
118.42912	0.4
119.01391	0.4
119.63694	0.4
163.00392	5.5
165.99098	1.0
176.28444	0.4
184.05283	1.6
196.05273	1.1
198.03198	1.7
223.04039	0.6
224.04889	2.3
239.03534	1.6
240.04276	0.9
267.02975	1.9
268.03778	99.6
269.04095	5.0
283.06134	41.1
283.09381	0.8
284.03662	0.5
284.06488	1.4
297.04111	0.9
319.06311	0.9
327.08707	0.9
328.09122	0.6
363.01822	100.0
364.02094	5.1
380.03561	0.6
408.04953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.9
72.09484	0.6
79.95741	26.0
80.96520	1.8
83.78402	0.6
93.11369	0.6
96.96072	1.0
98.21770	0.9
99.40672	0.6
110.00097	1.1
118.04061	0.7
163.00385	7.0
165.99072	1.2
167.03532	0.8
171.04558	0.7
184.05275	1.4
193.43271	0.6
196.05316	1.3
198.03200	1.4
224.04785	2.4
225.83644	0.7
228.68457	0.7
229.01070	0.8
239.03511	1.5
267.02972	1.7
268.03781	100.0
269.04095	5.3
283.06140	41.5
284.06503	1.8
285.04022	1.6
297.03928	1.5
327.08655	1.1
328.09265	0.9
363.01837	99.9
364.02240	6.4
407.04190	1.3
553.96997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.9
72.09484	0.6
79.95741	26.0
80.96520	1.8
83.78402	0.6
93.11369	0.6
96.96072	1.0
98.21770	0.9
99.40672	0.6
110.00097	1.1
118.04061	0.7
163.00385	7.0
165.99072	1.2
167.03532	0.8
171.04558	0.7
184.05275	1.4
193.43271	0.6
196.05316	1.3
198.03200	1.4
224.04785	2.4
225.83644	0.7
228.68457	0.7
229.01070	0.8
239.03511	1.5
267.02972	1.7
268.03781	100.0
269.04095	5.3
283.06140	41.5
284.06503	1.8
285.04022	1.6
297.03928	1.5
327.08655	1.1
328.09265	0.9
363.01837	99.9
364.02240	6.4
407.04190	1.3
553.96997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
69.03472	1.7
71.01389	2.5
76.66994	1.4
81.52906	1.4
85.02968	4.8
85.21117	1.6
95.01405	2.8
97.02959	3.6
98.21869	3.4
99.00906	13.2
111.00887	17.0
113.02472	7.2
117.03487	1.6
123.00925	7.6
135.04535	1.7
139.00380	26.7
141.01955	100.0
142.02304	2.1
148.42889	1.5
153.01965	3.4
161.02467	8.3
175.03949	1.9
193.03517	2.3
194.17084	1.6
202.02055	1.6
275.05872	1.6
285.04077	6.3
295.20590	1.5
301.03720	2.0
303.05145	62.9
303.67041	1.5
304.05475	2.5
329.07086	2.8
479.08365	74.2
480.08408	4.6
818.00800	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	809.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64666	1.1
59.01376	1.1
60.90766	1.0
61.98823	1.4
65.41496	1.2
69.06604	5.2
69.07027	3.0
76.74385	1.0
93.03470	3.5
109.03014	1.7
121.02957	4.6
122.03755	15.1
123.04530	1.5
133.03023	1.3
134.03885	1.1
136.01669	2.2
137.02440	2.4
146.03760	1.5
149.02455	18.1
149.06079	1.8
150.03239	100.0
151.00378	2.5
151.04048	7.2
157.31517	1.1
164.04800	4.4
165.05579	89.4
166.02745	4.4
166.05821	1.9
179.07132	5.2
180.04250	6.0
181.05017	6.8
193.05103	1.7
195.06631	65.4
196.06926	1.4
205.05157	1.4
220.07439	1.4
282.87262	1.4
387.14795	2.1
417.15561	8.4
436.52319	1.3
471.16809	1.3
565.20923	12.3
577.16425	1.3
595.22144	1.8
597.42181	1.4
613.22925	3.6
713.25714	1.6
809.32019	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	809.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.2
58.49412	0.7
59.01384	7.4
61.98847	1.3
61.99541	0.9
65.00328	3.2
67.01909	0.9
71.01398	8.4
71.43641	0.9
72.99303	1.2
73.02962	3.6
81.03470	3.5
82.95429	15.8
83.01395	3.1
85.02959	5.3
87.00909	0.9
88.98818	1.0
89.02441	2.3
91.01908	13.2
91.63543	0.7
95.01432	3.7
96.96024	4.3
97.02948	0.9
99.00897	1.9
101.02476	6.0
102.05594	1.0
103.01977	0.7
104.03574	0.8
107.01408	5.3
108.02186	11.6
109.02975	6.3
111.00896	3.2
113.02489	4.5
119.05032	1.7
123.00901	2.5
123.04541	48.7
124.01648	2.2
124.04829	1.1
125.02464	4.4
131.39420	0.7
133.02998	1.2
134.03737	1.0
135.04503	2.1
136.10454	0.7
139.00354	0.8
140.98450	0.7
150.03229	1.7
151.00410	5.2
152.01201	11.8
153.01953	10.7
163.04068	1.0
163.13934	0.7
165.01971	0.9
165.05554	1.2
166.02722	1.4
167.03519	100.0
168.03847	1.5
193.05090	2.8
195.03026	3.2
195.06625	1.4
209.04568	1.0
209.11928	1.6
251.05540	0.9
301.03915	0.9
497.27667	0.9
503.22952	2.3
587.30377	1.0
589.30811	1.3
603.31842	4.1
615.28082	1.6
647.30811	12.4
765.37115	25.1
766.37598	1.9
809.36102	69.2
810.36267	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	809.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91873	75.3
66.92258	75.7
77.95454	73.0
134.79536	75.8
154.33324	69.8
161.30510	75.6
183.74309	77.4
245.79625	82.2
399.91998	100.0
445.89886	80.4
492.03906	82.5
607.66522	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25186	4.2
79.95740	21.3
156.70076	5.2
163.00375	7.8
268.03754	91.7
283.06149	45.0
299.04977	6.6
363.01822	100.0
377.56204	4.6
589.77350	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	811.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	27.8
59.97607	1.0
67.00534	0.9
68.03632	1.2
69.31163	5.7
70.42364	0.9
71.01369	1.4
71.03798	0.9
72.97538	8.6
72.99322	1.9
73.98308	2.0
74.99097	2.0
83.05038	3.5
84.02170	1.1
85.02947	1.4
87.00883	100.0
89.00680	5.3
97.02949	2.0
97.06572	1.6
107.01440	1.2
109.06647	1.3
113.02479	1.5
115.02223	8.8
118.98119	1.7
119.05065	1.3
123.04566	1.4
129.03833	4.9
133.02965	7.2
141.05565	1.4
142.56747	0.9
149.02454	1.2
151.00354	2.7
157.33171	1.0
161.02455	1.1
173.78101	1.2
175.03952	1.7
199.04024	1.4
233.11736	1.9
285.04056	66.8
286.04395	2.8
289.14542	2.9
325.17905	1.4
343.13644	2.1
359.13257	2.9
361.15018	1.4
377.14322	3.3
379.15958	3.5
387.18201	2.7
439.17844	1.7
465.15839	5.6
487.34332	1.6
497.54819	1.1
525.17590	57.7
526.18292	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	811.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.1
69.26456	2.7
69.26845	2.6
69.27342	1.3
71.01392	13.3
73.02947	4.3
74.32635	1.2
77.56440	1.0
81.56030	1.1
83.01388	1.6
85.02957	6.2
87.00883	5.8
89.02449	9.3
95.01352	1.4
96.55468	1.1
96.95998	2.1
98.22598	2.4
101.02451	11.3
109.02937	1.3
111.00871	2.0
113.02451	8.6
117.03476	26.0
119.03584	2.0
119.05037	45.4
120.99685	1.4
125.02463	2.2
133.06656	1.7
143.03513	2.7
145.02965	100.0
146.03316	1.9
161.04495	2.3
161.06073	5.5
163.04018	45.3
164.01268	1.1
177.05569	4.3
179.05621	2.3
203.05653	2.2
205.05077	9.0
221.06725	1.6
235.06117	8.6
237.63930	1.1
265.07193	8.1
303.43951	1.1
325.09268	2.3
365.10785	2.4
367.10339	10.8
381.61462	1.1
383.11777	4.1
396.73340	1.1
406.30127	1.5
427.12378	6.7
487.14655	5.1
491.92444	1.4
529.15771	11.1
589.18207	3.3
607.22461	4.2
621.53772	1.1
647.20386	2.0
649.22949	2.0
665.21472	1.8
728.40814	1.3
742.06781	1.4
772.61310	1.2
811.25195	56.7
812.25775	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	811.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	51.9
61.98835	14.5
69.03429	1.4
71.01390	36.7
71.40889	1.1
72.99293	1.5
73.02946	6.4
74.02449	2.6
75.00897	1.6
75.25369	1.0
82.02999	2.1
83.01360	1.9
84.04561	8.1
85.02950	9.3
87.00890	13.1
89.02454	48.9
95.01398	3.7
97.02948	3.1
97.04073	1.7
98.32972	1.0
99.05664	1.1
101.02461	37.0
101.07205	3.6
102.05638	2.2
103.05858	1.0
109.04087	9.1
110.10222	1.1
113.02451	17.5
119.03540	8.6
120.91898	1.0
125.02465	5.2
125.03556	3.7
127.04229	1.9
127.05154	27.7
128.03568	12.4
131.03523	2.0
143.03523	10.1
143.99161	2.2
145.06209	73.5
146.04585	2.6
149.04590	1.4
161.04561	6.5
179.05621	25.7
183.82278	1.1
185.04466	1.2
203.05675	3.1
207.05133	3.4
221.06715	9.7
222.89229	1.3
235.08264	1.3
281.08752	2.1
323.09726	1.5
341.07034	1.7
341.10883	20.0
383.11987	51.8
384.12427	2.5
425.12775	1.4
443.14050	12.9
485.15118	11.2
486.15332	1.8
503.16144	4.6
665.21545	100.0
666.22168	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	811.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
60.15284	0.2
79.95733	2.0
94.05199	0.2
94.34764	0.2
95.95257	0.5
96.96022	69.6
98.22633	0.6
124.17138	0.2
183.01270	1.0
184.01912	0.3
253.42430	0.2
259.26575	0.3
265.14813	100.0
266.15143	2.6
290.35721	0.3
297.15329	5.0
358.30084	0.3
397.13458	0.4
446.30185	0.3
530.56610	0.3
606.15765	0.3
778.75226	0.3
788.28345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08726	1.3
78.48910	0.2
79.95760	0.9
96.96026	1.8
98.22802	0.2
119.05029	0.7
170.00424	0.9
181.13396	0.2
183.01218	32.9
184.01930	1.5
197.02779	0.9
198.03482	0.6
212.05080	0.3
216.00981	0.3
225.05939	0.5
226.06705	0.3
233.19087	0.3
239.07384	0.3
265.14847	2.0
297.15311	100.0
298.15616	4.7
308.24319	0.2
311.16287	0.2
629.67889	0.3
650.66290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2828
Annotation	Lamiuside E
Peak:m/z	Relative Intensity
58.17989	1.1
59.01383	19.5
65.00300	1.5
71.01387	18.1
71.41124	1.2
71.97838	1.2
72.99308	1.8
73.02961	1.9
81.03463	2.7
83.01373	2.2
85.02958	15.2
86.57468	1.0
87.00890	4.2
89.02442	9.0
89.03959	1.5
91.83039	1.1
95.01404	4.9
97.02970	1.1
101.02454	6.8
113.02464	31.2
117.03484	2.7
119.03502	1.9
125.02446	3.6
127.00413	1.1
131.03545	2.4
132.02197	23.5
134.03755	46.8
136.98782	1.7
149.06117	6.6
152.04799	1.7
160.01668	92.1
161.02443	3.2
161.04568	4.2
164.98289	2.4
167.07201	1.8
175.04013	100.0
176.04292	3.1
178.02640	2.3
179.05614	3.0
193.05058	33.2
221.06589	3.8
223.04001	1.9
265.07104	1.6
269.04562	33.0
297.03986	5.2
327.08841	6.2
329.12451	1.3
351.84760	1.7
407.04453	5.5
445.08041	2.1
475.18372	2.0
550.51123	1.5
619.22198	4.9
629.11542	1.2
637.23657	19.6
651.22687	2.4
671.55841	1.4
813.28278	55.6
814.28619	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	815.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33572	3.7
69.33955	3.0
98.22632	2.7
101.03146	1.3
117.03463	3.6
145.38197	1.7
178.99918	1.8
188.59038	1.6
220.74495	1.6
226.02788	8.1
254.02180	3.5
269.04581	7.2
297.04068	74.1
298.04535	5.3
312.06445	14.8
327.08762	90.7
328.09073	6.2
407.04434	100.0
408.04773	7.4
548.85364	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	815.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
71.40551	1.0
72.90562	0.9
78.77249	1.2
96.96043	1.3
117.03504	4.8
154.04243	2.9
178.99792	2.2
226.02696	6.7
254.02219	3.2
269.04611	8.4
297.04053	85.9
298.04349	5.1
311.70105	1.3
312.06384	18.2
313.06619	1.3
327.08740	93.9
328.09030	6.5
407.04428	100.0
408.04745	6.7
425.66345	1.3
574.84564	1.3
822.46851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
60.21263	0.1
60.64689	0.2
65.00329	0.5
67.01892	1.7
68.99817	0.4
73.02962	0.2
73.36717	0.2
88.02660	0.2
95.01402	0.8
101.03954	0.5
104.02771	0.2
105.23421	0.2
111.00888	0.3
117.03465	0.4
123.00873	0.2
125.06153	0.2
127.05579	0.3
136.98848	0.6
139.00426	0.9
141.07092	0.7
145.06612	0.4
151.05525	0.4
153.07103	0.5
155.05070	0.6
164.98282	0.2
166.99876	0.4
167.05057	0.3
169.06596	2.3
171.04539	4.7
171.08218	0.3
172.04854	0.2
173.06058	0.8
181.06592	0.9
183.04535	0.7
185.06081	0.3
195.04480	0.4
197.06087	7.3
198.06377	0.4
199.04054	1.6
201.05528	0.5
213.05627	2.1
223.04059	0.5
224.04791	0.7
225.05559	3.2
226.05898	0.2
239.03522	3.5
239.05948	0.3
240.04176	0.8
241.05057	2.2
267.03009	8.0
268.03558	0.5
269.04568	100.0
270.04926	3.7
282.05359	9.1
282.08508	0.4
283.05679	0.5
297.07715	9.1
298.07986	0.3
467.20599	0.2
735.91541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
57.42089	0.5
57.70704	0.4
59.01385	11.7
64.53557	0.4
68.99834	0.9
69.65942	0.4
71.01391	10.5
72.99314	1.7
73.02949	0.9
75.00874	5.0
83.01388	1.0
84.02164	0.8
85.02958	24.9
87.00893	2.5
89.02457	1.5
93.03443	0.7
95.01389	8.7
99.00894	8.8
103.00373	4.6
104.06202	0.4
109.74773	0.4
109.99487	0.4
110.00047	2.1
111.00885	0.7
113.02462	57.7
114.02776	0.9
115.00372	1.8
117.01946	2.0
117.03470	5.1
119.01390	0.6
119.05081	0.5
121.93816	0.4
129.01959	2.2
135.00911	0.5
135.04543	0.5
137.02469	1.2
149.06113	0.5
157.01334	0.7
163.00407	9.4
165.99077	2.5
171.04648	0.5
173.06015	0.7
175.02502	26.8
184.05283	2.3
195.04613	0.7
196.02626	0.6
196.05312	1.6
198.03264	2.6
211.04042	1.6
212.04782	0.8
217.61949	0.5
224.04843	1.3
239.03522	2.2
240.04324	0.8
267.03064	2.5
268.03787	100.0
269.04129	5.2
283.06137	87.4
284.06366	3.7
293.08121	0.5
303.51407	0.5
311.09164	0.6
355.11902	11.0
437.52728	0.5
459.09344	15.0
460.09799	1.2
477.58093	0.5
496.39426	0.4
579.06885	0.6
587.05908	0.5
609.19287	0.5
618.05310	0.5
629.64929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00458	1.4
59.01386	12.8
65.00337	1.7
65.50443	1.0
69.30000	6.0
71.01389	13.6
72.06884	1.1
73.02953	3.6
83.01388	1.9
85.02958	2.4
85.06903	1.2
87.00878	5.3
89.02457	7.6
91.01884	9.4
95.01467	1.6
98.21931	2.8
99.00842	1.4
100.76057	1.5
101.00700	1.2
101.02434	10.6
108.02186	10.8
109.02991	1.9
111.00863	1.6
113.02444	6.8
123.04535	32.8
125.02449	2.6
143.03456	1.9
151.00356	2.9
152.01158	13.9
161.04544	1.5
166.02728	3.7
166.81020	1.1
167.03508	100.0
168.03886	2.7
179.05608	1.6
181.05046	4.9
194.02264	2.8
203.05614	1.8
209.04552	26.7
221.06667	3.5
239.05676	8.5
269.06662	4.0
313.47287	1.3
365.10925	3.2
371.09851	8.9
401.10995	3.1
431.11893	2.9
491.14175	2.7
533.15216	8.0
593.17218	4.3
647.20453	1.7
815.24701	35.3
815.39868	1.8
816.25446	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	815.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	18.0
71.01395	19.5
71.40337	3.0
73.02950	8.1
79.11746	2.2
85.02961	6.5
87.00882	5.3
89.02457	12.2
91.01886	10.2
91.57577	2.9
95.01397	3.6
97.02973	3.5
97.55843	2.3
101.02451	11.4
103.14227	2.5
108.02187	17.1
113.02435	9.3
123.04538	47.3
123.58267	2.6
125.02460	3.0
143.03551	3.2
149.37711	2.8
152.01129	20.2
161.04529	4.8
167.02133	5.3
167.03513	100.0
168.03899	3.3
179.05600	3.8
183.93245	2.7
209.04553	11.4
239.05583	2.9
285.66599	2.8
329.09320	3.1
340.07480	2.5
371.09940	4.1
395.96307	2.7
449.72366	3.0
454.69928	2.5
533.15021	8.1
593.17554	4.4
647.20465	6.9
653.19171	7.6
768.12830	2.7
778.69012	4.0
815.24603	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01386	34.9
60.98920	0.4
63.47432	0.6
69.10175	1.2
69.10583	2.1
71.01386	17.4
72.99290	0.6
73.02961	0.7
76.26151	0.4
83.01379	1.7
85.02971	3.7
87.00886	1.1
89.02453	19.6
95.01394	1.7
96.96020	0.7
97.93983	0.4
99.00927	0.5
101.02453	13.0
101.67310	0.4
104.07515	0.4
106.75062	0.4
107.50726	0.4
113.02460	7.2
118.81705	0.4
119.03519	8.0
131.03543	0.9
135.85483	0.4
142.85316	0.5
143.03490	0.7
161.04509	0.7
167.03497	1.9
179.05673	0.5
192.00856	0.4
323.13495	100.0
324.13788	3.6
579.04205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.3
69.47941	2.4
71.01367	1.9
73.02945	5.7
83.35892	0.6
85.02953	1.0
89.02455	0.8
101.02445	2.8
110.00082	0.9
113.02497	0.8
154.00536	0.6
161.04564	1.0
218.05936	0.8
261.07678	1.8
262.08475	0.6
269.04459	1.5
284.03226	1.4
285.11359	1.3
286.12045	1.5
299.05649	2.0
300.13974	0.7
301.14426	6.3
315.12317	0.8
327.16071	2.2
329.14011	4.3
330.14697	1.1
345.17075	47.8
346.17368	3.8
347.39883	0.6
353.90469	0.7
361.16592	0.7
375.29099	0.6
389.16043	4.2
404.18356	3.7
405.19196	100.0
406.19534	8.3
549.23773	4.5
729.29730	1.0
753.24597	0.8
771.30811	19.6
772.31622	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	815.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.9
59.01385	100.0
62.47322	1.4
66.13127	1.3
69.92496	2.0
69.92854	3.3
71.01389	51.9
72.99339	2.3
73.02956	10.1
75.53495	1.2
83.01398	3.8
85.02962	19.2
87.00900	3.6
89.02454	43.2
95.01387	6.4
99.00889	1.8
100.66922	1.1
101.02458	28.1
111.00862	1.4
113.02463	34.8
119.03515	17.7
119.05003	1.5
125.02482	2.0
131.03566	2.5
134.03792	1.5
143.03555	6.4
149.04619	2.1
161.04610	6.9
179.05635	10.4
186.23373	1.2
198.94386	1.2
247.75578	1.2
405.18979	1.4
456.52969	1.3
467.42798	1.3
549.34296	3.6
567.35571	2.7
711.39594	32.0
712.39923	3.9
729.40894	25.3
729.53833	1.3
730.41205	2.0
771.41956	6.9
815.46484	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82925	2.7
59.01375	2.5
61.98865	2.1
67.00792	2.6
71.01385	4.6
83.05013	2.4
87.04540	13.9
101.06071	9.7
111.00921	2.1
113.06083	5.8
115.04020	88.7
115.07661	9.2
119.05012	5.4
126.68971	2.1
135.04547	2.5
135.08144	5.0
150.20793	2.1
173.44092	2.2
177.67719	2.9
192.11540	3.8
205.12408	4.0
217.16039	3.6
220.14705	24.5
221.15471	59.2
236.10565	46.7
264.36655	2.7
289.14441	25.3
293.17661	33.5
345.17130	8.6
461.21844	100.0
462.22269	5.3
679.36017	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	816.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08146	0.5
70.25230	1.1
71.01357	0.4
78.88578	0.4
96.96022	0.7
100.26814	0.4
105.23007	0.4
112.78848	0.4
136.98787	0.5
152.01193	0.8
164.98326	1.0
166.39006	0.4
177.99063	0.5
180.00722	0.9
183.27905	0.5
199.03955	0.7
227.03455	0.5
243.02969	0.6
257.40643	0.4
268.03561	0.5
271.02527	2.8
285.03986	1.5
296.03259	1.1
297.03616	0.4
299.01993	49.6
300.02277	2.2
313.03522	2.3
313.06854	0.7
314.04349	25.6
315.04691	1.6
329.06677	100.0
330.07007	4.4
409.02380	89.8
410.02722	4.7
698.28491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.3
73.37998	0.1
79.95721	1.8
79.96145	0.2
95.95271	0.4
96.96018	69.3
97.95965	0.2
108.53384	0.1
112.63445	0.1
121.92412	0.1
171.23564	0.1
265.14795	100.0
266.15106	2.8
376.85129	0.2
471.67041	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	816.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21096	47.9
66.97516	58.7
69.58862	62.2
82.78505	50.2
101.81000	65.7
105.07083	52.2
145.06351	54.0
156.30440	67.7
170.28596	65.8
235.61392	62.1
277.21671	100.0
332.18573	62.1
636.63470	61.0
776.08490	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
63.02398	1.6
65.00327	6.6
69.43014	5.2
83.01389	3.9
85.02955	0.9
98.22576	1.8
107.01396	8.1
117.03459	11.3
119.05036	1.9
121.04007	1.0
125.02451	4.7
125.24978	0.9
135.04501	1.4
149.02454	3.6
151.00391	22.8
154.70787	0.9
161.02449	2.1
163.04042	4.3
165.01920	1.6
165.05612	1.3
169.01389	2.3
171.04527	2.6
175.03979	2.3
177.02007	1.1
183.04515	1.3
191.03525	8.3
197.02519	1.2
197.06131	1.4
198.03159	1.1
199.04024	4.2
203.03493	1.1
210.84561	1.0
211.04095	1.1
213.05447	1.3
221.04581	2.4
225.05605	2.1
226.02676	1.7
227.03484	15.2
233.04556	2.1
241.05032	1.4
251.03516	6.8
253.01419	1.7
254.02222	1.4
255.03030	18.3
267.03046	1.9
269.04510	2.3
271.02356	2.3
279.02985	11.9
280.03851	3.4
295.02405	3.5
296.03287	2.7
297.04068	12.1
311.07986	1.0
323.01996	2.8
353.06674	3.5
355.06741	13.4
399.05197	1.3
403.04623	2.3
417.06183	100.0
418.06540	5.7
443.04184	11.2
473.11035	2.6
500.41635	1.1
569.07312	14.6
570.07593	1.6
679.15540	1.2
731.12622	3.1
757.29791	1.6
773.13568	37.6
774.13940	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	817.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	1.5
68.99819	0.7
80.25574	0.4
82.00600	0.4
83.01382	0.6
93.03448	0.5
95.01412	2.5
98.22601	1.2
107.01395	1.0
110.00092	1.0
111.00892	14.2
117.03455	0.9
119.05035	8.2
119.05774	0.3
120.05407	0.5
123.00887	2.2
125.02454	1.2
133.02953	1.0
135.00958	0.4
136.98819	2.4
137.02477	0.6
137.99606	0.5
139.00388	16.7
140.00726	0.5
143.05045	1.1
145.03046	0.5
151.00375	4.7
161.02458	1.0
163.00388	1.8
164.98357	1.9
165.01907	1.3
165.99019	0.5
166.99869	4.8
167.05038	0.6
169.06656	0.7
171.04465	1.5
173.06128	0.8
174.91951	0.5
178.07037	0.4
179.05086	0.6
185.06108	1.3
190.99924	0.4
192.00674	0.9
194.26651	0.4
195.04517	1.4
196.05345	0.8
198.03235	0.8
199.03960	0.6
211.03853	0.6
213.05627	1.2
217.04936	0.6
223.04034	2.3
225.01903	1.6
234.60530	0.4
239.03497	1.8
241.05037	0.6
242.02264	0.8
255.70457	0.3
267.02927	1.8
268.03769	14.5
269.04303	0.6
283.06146	10.1
284.06418	0.9
285.04059	100.0
286.04446	5.3
334.83133	0.4
341.69977	0.4
409.05029	0.6
586.55475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01385	3.4
59.32829	0.2
65.00332	0.9
67.01891	0.3
68.99823	0.3
70.99252	0.2
71.01384	2.6
72.99313	0.6
73.02949	0.4
75.00896	1.3
85.02962	5.8
87.00892	0.7
89.02447	0.3
93.03486	0.5
95.01383	2.1
96.96029	1.5
99.00883	1.9
103.00398	1.0
109.02960	0.5
111.00896	0.4
113.02461	12.3
115.00399	0.6
117.01917	0.6
117.03468	3.3
119.05041	2.5
123.00932	0.3
129.01987	0.5
133.02957	1.1
134.03304	0.3
136.98837	1.5
137.02438	0.6
139.00392	1.1
143.05045	0.3
145.02928	0.5
157.01471	0.4
157.06566	0.4
159.04543	0.7
161.02528	0.4
164.98294	1.1
165.01958	0.5
166.99945	0.3
167.04964	0.4
171.04553	0.5
173.06050	0.4
175.02493	6.1
183.04501	0.3
185.06078	1.5
187.03998	0.5
195.04553	0.6
211.04077	1.7
212.04860	0.3
213.05635	2.4
217.05058	0.6
229.05009	0.5
239.03513	2.4
240.03917	0.4
241.05006	1.4
257.04520	0.7
267.02969	1.7
284.03250	0.5
285.04062	100.0
286.04431	4.6
294.78207	0.3
311.09222	0.8
311.12708	0.4
327.08789	0.6
328.09286	0.3
355.11832	4.0
369.79608	0.3
371.11407	1.7
372.11850	1.5
373.12314	1.2
392.12393	0.3
394.24869	0.3
399.10825	0.9
416.10880	0.5
417.11401	1.0
461.07312	12.8
462.07675	0.8
598.34119	0.3
727.44891	0.3
842.49902	0.3
843.63428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.1
59.01380	16.8
63.02399	3.7
65.00327	8.4
71.01392	9.2
73.02982	1.9
75.00886	3.9
79.81737	1.2
83.01383	6.6
85.02960	30.0
87.00872	3.2
89.02431	2.1
93.03481	7.6
95.01389	8.7
99.00897	9.1
99.01448	1.3
103.00383	5.6
107.01405	15.4
113.02461	61.1
114.02747	1.4
115.00413	1.5
117.01918	3.2
119.05037	35.6
125.02456	1.5
129.01944	1.9
130.45609	1.3
145.02917	1.9
151.00385	62.4
165.80185	1.2
175.02498	46.8
177.01945	4.8
180.39978	1.4
185.06052	2.0
187.04030	2.4
227.07161	1.9
270.05179	1.8
271.06140	100.0
272.06488	4.8
349.82401	1.3
377.48599	1.3
447.09335	55.8
448.09647	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	817.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.3
64.64001	0.9
65.35044	0.8
71.01394	1.4
81.03460	1.2
83.01368	1.2
85.02957	2.3
93.03455	3.7
97.02987	1.7
101.02448	1.2
107.01364	1.2
107.04947	1.1
113.02438	1.7
117.03481	58.0
118.03836	1.8
118.57050	1.0
119.05048	5.5
121.02972	2.9
123.04511	2.3
124.32992	0.9
125.02483	2.2
126.96893	1.0
133.02991	1.2
135.04533	10.1
137.02351	1.2
143.04993	0.9
145.02928	1.7
147.04514	3.4
148.01674	5.4
149.02463	31.2
150.02878	1.4
151.00389	1.2
156.86182	1.1
159.04477	1.2
161.02449	17.9
161.06055	1.9
162.03207	2.2
163.00362	1.3
163.04028	40.8
163.05408	2.0
163.38287	0.9
164.04466	1.0
167.03488	2.9
173.02454	1.7
175.02646	1.1
175.03990	5.4
177.01956	1.0
177.05574	2.4
179.03473	1.6
185.02386	1.4
187.03993	2.6
188.01334	0.9
189.01927	2.7
190.02710	1.4
191.03520	100.0
192.03897	2.7
193.03497	1.2
196.94876	0.9
197.04640	1.4
203.03484	7.4
205.05049	4.0
209.04584	3.4
215.03577	2.4
217.01434	3.7
217.05066	1.5
221.04570	20.5
223.06218	1.3
227.03554	1.3
230.02188	2.6
233.04587	25.6
239.05586	4.6
245.04626	2.2
251.05782	1.7
255.02968	2.4
259.02496	9.7
260.94366	1.0
263.05673	6.8
269.04422	2.3
269.06940	1.5
281.06790	1.3
285.04114	11.3
289.03598	3.1
293.06763	2.5
311.07764	17.5
329.08749	1.4
341.08752	4.5
353.06622	46.3
354.06931	2.3
371.11377	2.4
379.06586	2.8
383.07785	9.0
384.08600	1.1
395.07764	3.1
401.08707	2.4
403.54221	1.0
407.03964	1.0
417.06693	1.2
428.33536	1.1
431.10168	3.2
455.09927	3.3
461.07010	4.1
473.10953	39.8
474.11230	3.4
491.11826	2.3
503.11603	5.5
533.13635	1.1
535.14606	3.9
575.14453	1.3
593.15112	3.9
611.16248	1.3
653.18182	1.4
659.15289	1.0
697.17572	3.8
773.13605	3.4
817.21973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
57.62545	0.6
59.01387	39.7
71.01385	10.9
71.41657	0.8
73.02947	7.6
80.50259	0.6
83.01381	1.6
85.02979	1.8
89.02453	7.9
99.00885	0.8
101.02456	7.7
109.83527	0.7
113.02459	3.0
119.03504	2.5
123.00880	3.4
125.02473	0.8
135.04509	1.2
146.45163	0.6
151.00385	33.7
151.03998	0.8
163.11296	4.0
165.01944	2.1
166.02728	52.7
167.03093	1.8
181.05081	63.0
182.05382	0.7
182.83408	0.6
207.10213	5.0
387.16635	100.0
388.16806	4.8
434.97638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01719	0.4
60.70741	0.3
61.67749	0.3
61.98837	1.8
69.28468	1.8
71.01398	2.4
73.02966	0.5
77.31570	0.3
80.96522	0.9
83.01393	0.5
85.02991	0.4
87.00867	0.6
89.02464	1.9
96.99321	1.7
97.02961	1.1
101.02437	2.0
113.02476	1.1
119.03569	0.7
125.02467	0.7
133.44637	0.3
140.68668	0.3
141.01718	48.0
142.02057	1.0
142.05019	0.4
153.01749	0.4
202.06235	0.4
235.08234	0.7
243.04721	0.5
277.21777	5.0
359.22125	4.5
397.13541	10.7
398.13715	0.4
415.14621	2.2
419.11795	2.7
437.12793	3.1
675.35571	0.8
697.34460	1.9
817.50757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.3
67.28457	0.1
71.84708	0.2
79.95743	0.3
96.95983	0.4
133.06563	0.2
183.01208	1.6
184.01944	0.4
197.02780	20.1
198.03529	4.6
199.03912	0.2
211.04305	1.1
212.05124	0.4
225.06007	0.2
230.02512	1.4
244.04221	0.3
265.14789	0.4
267.10611	0.3
274.48898	0.2
281.12079	0.2
297.15317	0.2
298.15866	0.2
310.15582	0.1
311.16882	100.0
312.17188	6.0
676.09308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13707	0.6
69.10848	1.7
69.11272	1.9
97.71880	0.5
98.21879	1.3
105.06808	0.6
117.03441	4.1
133.02931	0.5
154.04286	1.3
161.02396	0.7
164.62338	0.5
165.01913	0.6
178.99878	2.5
198.03165	0.6
226.02713	7.0
238.02519	0.9
254.02127	2.8
258.01648	0.7
267.27551	0.6
269.04520	8.3
283.06256	0.7
297.04053	82.6
298.04401	6.9
299.04721	0.7
312.06403	16.2
313.06610	1.7
327.08743	93.6
328.09058	7.6
329.09283	1.4
407.04422	100.0
408.04776	7.2
409.04651	2.9
410.04568	2.4
466.35727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01383	6.0
64.88898	0.4
65.00322	1.1
66.21379	0.5
67.01888	0.5
68.99799	0.7
69.34978	2.3
71.01395	3.7
72.99308	0.8
75.00868	1.9
78.48531	0.4
83.01411	1.6
85.02956	9.5
87.00870	1.1
89.02433	0.8
93.03442	2.1
95.01399	5.7
98.21808	0.8
99.00888	3.2
101.54277	0.5
103.00385	1.6
109.02954	1.4
111.00887	3.6
113.02463	19.6
114.02799	0.8
115.00380	0.8
119.05038	19.8
120.05396	0.8
123.00928	3.4
124.01656	1.3
135.00946	0.5
136.01665	0.8
136.98819	3.6
137.02464	1.8
139.00392	14.6
140.66093	0.4
141.01952	1.2
145.02962	0.5
152.01230	0.8
153.01955	25.8
166.98439	1.0
166.99875	21.6
175.02499	13.4
181.01443	14.3
182.01877	0.5
189.05548	0.6
193.01663	2.8
193.03397	2.8
201.05597	0.6
237.70297	0.4
240.99408	0.5
241.05087	1.2
243.06729	1.0
259.06149	3.5
269.04550	5.4
270.04926	0.4
285.03934	0.5
287.05643	100.0
288.05939	6.6
317.05231	0.8
463.08868	44.6
464.09232	3.5
620.14355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
68.99818	0.7
71.01389	6.3
73.02954	1.3
81.03458	1.8
83.01415	0.9
85.02950	2.1
91.01907	4.1
96.99306	1.2
97.02972	0.8
101.02442	3.8
107.01395	4.2
108.02182	11.1
109.02969	11.7
113.02449	3.2
122.03755	0.8
123.04541	19.6
124.01638	1.0
125.02451	1.7
136.01588	1.0
138.78888	1.0
149.42365	0.7
151.00407	6.2
152.01175	12.8
153.01956	29.8
154.02315	1.1
166.02669	3.4
167.03505	58.0
168.03781	1.2
170.64902	0.8
181.05098	3.4
185.70134	0.8
193.04962	0.9
195.02945	2.4
209.04572	2.3
221.04504	3.0
225.03999	2.2
234.25806	0.9
239.05595	1.0
255.05023	1.2
273.18594	3.8
273.85455	0.9
275.41885	0.9
280.24933	0.8
285.18646	1.7
296.05368	4.4
297.06171	19.7
298.06366	1.1
303.19458	0.9
311.07761	14.0
317.17511	3.2
329.17673	1.2
345.16928	1.1
347.18655	48.8
348.19022	4.4
361.20126	1.3
389.19708	3.3
509.23587	4.2
659.27118	100.0
660.27570	11.9
821.32422	38.2
822.33264	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	822.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01506	0.8
61.98839	1.8
69.13668	4.4
69.14074	2.0
72.87078	0.7
73.05337	0.7
79.95745	2.2
80.96561	1.0
89.91470	0.9
94.37373	0.8
96.96018	68.9
121.70096	0.8
143.54138	0.9
177.66277	0.8
194.78998	0.9
265.14804	100.0
266.15112	2.7
388.72339	1.0
412.43155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	4.6
69.44265	5.2
69.44655	6.1
76.75198	3.0
96.96017	79.6
124.05801	2.8
172.17722	2.9
181.69557	2.6
210.22115	2.9
264.09430	2.7
265.14798	100.0
266.15103	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	823.119
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47742	6.8
68.43413	6.1
71.40401	6.2
78.81772	7.7
79.95746	25.5
85.00368	5.7
109.66154	7.2
111.63108	6.9
253.76157	7.4
268.03821	88.4
269.03925	8.3
283.06146	35.5
341.72687	6.6
363.01807	100.0
384.94522	6.8
389.25516	8.4
484.14325	8.1
795.12903	8.9
818.38879	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	823.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.6
71.01382	10.8
73.02953	3.0
75.00882	4.2
83.01375	1.1
84.02175	0.9
85.02955	18.3
87.00878	3.2
87.86844	0.7
89.02477	1.9
95.01394	6.3
96.96027	2.8
99.00898	5.7
101.02449	2.6
103.00378	2.2
110.00121	2.5
111.00880	1.1
113.02460	42.3
115.00356	1.8
115.79427	0.7
117.01945	2.3
129.01924	1.2
136.98817	1.6
139.26317	0.7
149.04550	0.9
155.05099	0.7
163.00368	1.0
165.99066	3.4
167.99785	0.7
175.02498	16.6
200.04832	1.8
201.75896	0.7
203.90695	0.7
212.04628	1.0
227.03532	2.4
239.03481	1.1
256.03705	1.3
271.44852	0.8
283.02487	2.8
284.03293	97.9
285.03638	3.3
292.35263	0.8
299.05634	100.0
300.05945	2.9
302.89706	0.8
341.06744	1.0
475.08887	20.5
475.15634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.4
70.43658	3.4
71.01398	31.8
71.39816	3.4
73.02953	5.9
75.00865	8.1
77.45634	3.3
79.05537	3.8
82.32291	3.9
83.01394	7.4
85.02967	10.6
89.02469	10.9
95.04985	4.6
99.04541	24.6
101.02445	17.7
107.04997	5.2
111.04535	9.3
113.02467	13.8
117.78355	3.9
125.02442	4.4
130.17734	3.6
133.06593	5.5
135.04451	4.1
161.09741	3.9
161.13371	41.9
164.98210	5.8
185.09845	4.2
185.13359	15.3
187.11293	90.8
188.11655	4.7
191.24207	3.6
201.12762	6.5
203.14415	12.8
205.12344	76.1
211.07729	7.1
215.14580	4.9
229.12318	41.3
247.13472	19.1
249.11317	55.3
259.13495	6.3
268.03793	12.8
269.04617	5.3
273.11279	6.3
283.06140	19.3
291.12369	20.8
308.48581	4.1
321.13364	10.5
351.14484	34.3
411.16565	35.0
573.30695	5.8
575.10712	4.2
617.29688	14.7
661.28607	22.1
662.29102	5.1
663.71545	4.3
733.29669	7.1
749.81976	5.1
763.31799	15.6
823.33417	100.0
824.34711	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	825.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00307	1.7
70.03255	4.6
74.39747	1.4
85.53670	1.4
110.00134	13.3
119.05121	1.9
130.05495	1.4
134.56647	1.8
137.99605	6.2
153.01979	2.8
165.99098	14.7
181.01494	2.0
211.03993	2.1
214.02643	1.9
239.03859	1.9
284.03287	56.0
285.03677	2.6
297.04169	3.2
299.02029	8.2
299.05612	100.0
300.05905	3.9
327.09012	2.4
379.01376	85.1
380.01563	4.4
384.02631	1.9
407.04260	2.8
653.08789	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	825.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95741	14.2
82.00581	1.0
98.22670	3.2
110.00112	7.7
119.05045	1.2
137.99605	3.7
153.01895	1.2
163.00366	2.6
165.99083	10.2
200.04831	1.6
212.04662	1.5
214.02693	1.0
227.53583	1.1
240.04341	2.2
273.67474	1.0
284.03281	68.0
285.03644	5.4
299.05612	67.6
300.06055	6.6
301.06467	1.1
379.01309	100.0
380.01523	6.6
381.00970	1.3
399.23892	1.0
492.22314	1.1
504.40561	1.1
536.35040	1.0
648.19849	0.9
828.08521	1.1
841.79669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64436	1.8
65.00330	22.9
68.99829	2.4
71.30791	2.4
79.01904	4.5
83.01400	2.3
92.99827	4.7
95.01379	2.3
96.99355	4.4
111.00882	4.6
118.70864	2.1
120.99335	3.9
123.00917	2.9
124.01669	5.9
136.98793	16.4
139.00386	7.2
151.00333	9.3
152.01175	4.8
157.06679	2.2
159.22269	2.2
164.98302	39.4
165.99016	2.0
166.99898	3.5
171.04488	3.3
173.06097	5.6
177.99066	3.3
181.06625	2.1
197.06110	5.0
199.04007	4.9
213.05481	3.2
225.05539	11.6
229.05058	3.1
241.05139	7.3
243.06612	26.6
253.05194	10.4
255.06602	10.4
269.04559	100.0
270.05011	4.3
270.07651	3.5
271.06137	81.8
272.06503	3.2
281.04639	4.4
283.06256	3.6
288.43488	2.1
297.04031	5.4
299.05713	11.4
309.04099	10.9
325.03506	19.1
326.04120	1.9
327.04889	3.6
337.07361	2.8
405.06152	8.0
438.77118	1.7
455.11649	5.0
471.14264	4.1
497.12360	8.5
509.12445	12.9
541.11469	4.7
553.11334	12.1
554.11560	3.8
781.20142	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	825.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.5
65.00330	20.3
68.99807	2.0
69.87778	3.5
72.79273	1.1
79.01909	4.7
92.99828	4.7
95.01398	1.6
95.38534	1.2
96.99317	7.0
98.22617	1.1
108.99296	1.6
110.00085	1.7
111.00889	4.6
120.99350	3.6
123.00892	1.1
124.01672	6.4
133.02971	1.5
136.01686	1.9
136.98825	18.2
139.00392	3.9
149.99651	1.1
151.00403	5.3
152.01151	6.2
157.06602	2.2
164.98314	40.2
166.99890	2.8
169.06560	1.7
171.04550	4.1
172.04997	1.4
173.06071	3.4
180.60233	1.1
185.06049	2.5
197.06116	3.8
199.03963	3.3
199.07552	1.5
201.05559	2.0
209.06100	2.0
209.39253	1.2
213.05499	3.0
225.05562	5.4
227.03387	1.3
227.07150	2.5
229.05072	4.3
237.05737	1.3
241.05081	5.7
243.06651	25.1
244.07002	1.5
253.05070	12.4
255.06686	8.5
269.04565	100.0
270.05017	5.8
271.06134	74.1
272.06534	4.2
281.04550	3.9
283.06244	2.0
297.04089	4.2
299.05630	18.1
309.04041	10.8
315.05228	1.4
325.03586	15.3
326.04202	1.3
327.05014	7.1
337.07214	2.6
349.07037	1.3
361.06982	1.5
405.06274	8.2
455.11725	1.4
471.14801	1.8
497.12372	9.2
509.12497	13.3
510.12872	1.3
513.11743	1.8
535.10358	1.8
541.11566	4.5
553.11389	15.0
554.11926	2.3
603.07776	1.2
614.21875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03962	0.6
71.41211	0.8
81.11784	0.5
86.80069	0.7
98.22067	0.5
135.04532	0.6
144.21707	0.6
163.17960	0.7
225.12755	0.7
255.17628	0.7
261.05917	4.3
275.07462	0.7
289.06619	0.4
289.09073	18.1
290.09796	5.9
319.13757	100.0
320.14124	5.5
322.08621	1.5
657.46332	0.7
697.06256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29508	0.1
71.43739	0.1
79.95777	0.5
98.26689	0.1
98.89895	0.1
102.27724	0.1
103.75458	0.1
110.20930	0.1
133.06575	0.2
150.96283	0.1
155.98943	0.1
170.00349	0.1
172.48322	0.1
183.01216	1.9
184.01974	0.6
197.02795	21.2
198.03581	5.4
201.98981	0.1
211.04321	0.9
212.05199	0.4
225.06015	0.2
226.06783	0.2
230.02571	1.4
244.03966	0.1
265.14807	0.2
267.10626	0.3
311.16888	100.0
312.17218	3.5
332.92429	0.1
621.15662	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	825.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56770	0.3
65.45077	0.3
67.83312	0.3
68.54319	0.3
69.07763	0.7
69.08156	1.8
71.84148	0.4
79.95724	0.5
87.34904	0.3
96.96038	0.6
98.22692	0.7
183.01222	5.5
184.02043	0.5
185.69341	0.3
197.02786	17.0
198.03580	4.7
211.04305	0.7
225.10780	0.3
230.02524	1.4
265.14850	0.8
269.21362	0.3
311.16898	100.0
312.17249	3.3
405.06186	0.4
783.54010	0.3
790.95300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.5
61.98837	100.0
65.51414	0.7
71.01382	4.7
72.99289	0.9
74.06699	0.8
75.00870	2.6
83.01392	1.9
85.02964	5.8
89.02447	4.9
95.01392	3.7
99.00889	3.0
106.16498	0.7
111.00891	3.2
113.02457	4.5
121.02895	0.9
139.00401	2.1
153.75244	0.8
154.22896	0.9
180.84593	0.8
262.70840	0.9
280.64566	0.9
287.21454	0.8
453.34232	1.2
455.35339	2.7
472.08243	0.9
473.34689	0.9
483.34424	1.2
551.37531	2.0
569.38495	1.4
626.80182	0.9
631.39197	1.1
763.42822	69.4
764.42914	7.3
826.41101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.9
59.43657	1.1
69.55301	5.4
71.01394	6.6
85.02968	2.0
87.00861	1.3
89.02448	4.7
98.21866	1.2
98.36597	1.2
101.02446	6.5
113.02438	3.7
125.02438	1.7
132.02151	1.8
133.02968	31.4
134.03725	1.5
135.04538	21.3
137.07390	1.4
143.03494	1.2
149.06148	1.5
161.02458	100.0
162.02821	1.6
177.05615	2.4
179.03529	19.3
185.06401	1.2
203.03439	1.4
221.04559	7.2
221.06749	3.1
246.57536	1.2
251.05609	6.9
281.06680	11.7
295.82794	1.3
341.08710	4.8
383.09702	19.4
384.10245	1.9
413.10999	1.6
443.11798	2.6
503.14258	3.3
544.47211	1.3
545.15155	8.0
605.17645	2.7
665.19714	1.9
802.33710	1.4
827.08679	2.2
827.24683	45.3
828.25165	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	827.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.0
59.22719	0.7
60.97754	0.7
70.09443	1.0
70.09774	1.5
70.75249	0.6
71.01377	1.1
84.92587	0.7
85.02962	1.7
89.02451	0.9
95.01421	0.8
101.02476	1.0
113.02452	2.8
117.03430	1.2
119.05080	0.9
123.04551	1.0
124.67096	0.7
132.02187	24.8
133.02966	1.7
134.03777	14.9
135.04590	1.1
136.28993	0.7
137.06119	1.6
147.04512	0.9
149.06104	1.7
152.04846	1.8
160.01682	87.8
161.02428	8.0
167.07132	1.9
175.04025	100.0
176.04390	3.1
178.02710	1.3
193.05093	8.1
204.99286	0.7
505.17484	1.6
516.26080	0.9
633.21564	1.2
651.23071	8.9
652.24054	1.0
803.97369	0.9
819.37201	0.9
827.27795	23.7
828.28497	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01724	0.5
62.50787	0.5
63.42086	0.5
69.61536	2.0
71.01387	8.7
73.02954	14.9
83.01383	3.4
85.02980	2.2
89.02441	3.2
89.82912	0.5
95.01411	0.9
96.47465	0.5
101.02455	12.0
101.03104	0.6
113.02444	6.0
119.03571	2.3
131.03528	1.3
143.03543	1.1
149.04575	2.6
159.05502	0.6
161.04568	4.7
179.05675	0.5
179.59372	0.5
221.06718	1.1
299.05643	0.6
371.20920	1.7
413.21695	3.8
519.34369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
80.81605	0.4
82.95420	0.7
84.44703	0.5
84.95126	1.6
85.00444	7.7
88.44383	0.4
96.96042	0.6
119.05000	0.8
131.62000	0.5
170.00490	1.1
183.01222	22.5
184.01805	0.7
197.02852	1.5
199.54906	0.5
205.69118	0.5
225.05876	0.5
247.20706	0.6
309.17349	0.9
310.17419	0.6
311.16898	100.0
312.17215	4.2
572.70190	0.6
814.25922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
65.93449	0.4
69.06618	2.9
69.06959	0.5
71.01396	1.6
73.02957	1.2
73.72524	0.4
82.34385	0.4
89.02454	0.8
89.03993	0.9
93.03462	1.9
96.96054	0.7
98.21945	0.7
99.00898	1.6
102.54645	0.4
105.03477	0.5
106.04250	0.9
113.02491	1.3
117.03493	2.0
119.05037	1.1
120.79783	0.4
121.02965	11.0
122.03760	6.0
125.02496	0.6
132.02156	2.4
133.02966	1.8
134.03755	73.6
135.04610	2.2
136.01694	0.6
137.02461	3.4
139.04041	1.0
147.04608	0.5
148.01759	0.5
149.02460	16.7
149.06091	11.9
150.03238	45.9
151.03624	1.1
160.01674	10.6
164.04848	2.9
165.05585	42.0
166.05943	0.9
175.04030	15.8
178.02722	18.8
179.03062	0.4
180.04295	3.2
192.04166	0.7
193.05074	100.0
194.05473	2.5
195.06638	24.0
205.06696	0.4
207.06912	0.6
211.80194	0.4
221.06041	1.2
223.07809	0.4
233.06105	0.6
234.06842	0.6
235.07634	0.8
238.06311	0.7
239.07120	3.0
249.05450	0.9
250.06291	2.6
253.08786	0.6
254.09552	0.9
265.08813	0.5
267.06665	2.0
282.09006	8.5
285.03870	0.5
297.11505	0.6
323.09149	0.5
326.07880	0.8
341.10309	33.8
342.10675	1.8
353.10269	0.6
371.11395	6.2
389.12460	25.9
390.12738	1.1
397.15030	1.0
439.16159	0.5
474.07190	0.5
591.20819	1.0
633.11786	0.8
633.21899	11.6
744.86279	0.5
829.29120	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	829.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.90054	1.5
69.03473	4.1
71.01021	3.2
71.01385	41.5
72.99290	2.4
73.02951	19.0
83.01410	13.6
85.02956	22.1
87.00882	5.9
89.02454	12.2
95.01395	5.5
97.02963	8.8
98.92857	1.8
99.00888	6.3
101.02451	23.9
108.02158	1.8
109.02937	3.3
110.31102	1.8
111.00844	1.8
112.01672	3.5
113.02460	27.8
119.03487	4.0
121.06564	1.7
125.02457	10.4
126.06614	1.7
135.04558	1.9
143.03496	5.6
152.01198	3.2
161.04539	7.1
179.05713	2.4
193.05902	3.7
203.05588	4.1
221.06639	2.2
225.42215	2.2
249.11153	1.8
263.07773	2.7
333.20682	15.0
429.22729	2.8
477.25015	13.0
495.25992	7.5
519.26117	2.6
527.24951	4.1
537.27014	14.9
621.28778	5.8
639.30292	21.2
657.31366	8.0
681.31409	40.4
699.32404	48.6
700.32642	4.5
711.70477	2.2
741.33411	29.8
829.27045	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	831.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.2
61.49836	1.0
65.00340	2.6
68.52653	1.0
69.43037	5.2
73.02940	4.2
90.51796	1.1
101.02460	2.4
110.00098	2.2
119.01370	1.2
136.98787	3.0
163.00381	8.8
163.66418	1.1
165.99059	2.0
171.04402	1.3
184.05324	3.9
193.06573	2.4
195.04469	1.1
196.05293	1.5
198.03200	2.4
208.35355	1.3
211.04059	5.6
212.04813	1.4
237.05554	2.3
239.03532	4.3
240.04338	1.8
255.06827	1.5
267.03073	10.4
268.03784	100.0
269.04294	5.2
275.21573	1.3
281.04663	7.1
282.05307	3.3
283.06134	88.0
284.03290	21.1
284.73688	1.1
293.04617	4.2
295.06036	1.3
299.05627	21.1
305.08060	1.3
310.04929	2.9
325.07202	23.3
384.69186	1.2
493.35184	1.5
577.34058	1.2
750.82269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
65.00327	24.1
67.01905	1.8
68.99809	2.3
71.01392	2.8
71.40395	1.8
83.01387	3.7
92.99837	4.1
93.03452	2.0
94.00719	1.6
95.01395	8.6
96.96004	4.1
96.99348	3.5
107.01386	3.3
109.02958	1.8
110.00099	4.6
111.00913	5.6
117.03534	1.9
119.01408	2.4
120.99330	3.1
123.00912	2.1
135.00911	12.2
136.98816	18.5
137.02444	3.4
153.07149	2.3
163.00417	18.1
163.87892	1.7
164.98300	34.5
165.99023	2.5
169.06554	4.3
171.04552	9.9
171.08095	1.8
173.06110	14.6
176.01274	1.8
180.33566	1.6
181.06580	4.1
183.04518	4.1
193.06596	3.5
195.08220	4.8
197.06104	8.5
199.03995	4.0
209.06004	3.3
211.03981	2.2
211.07611	1.9
221.06030	2.2
223.07597	8.8
225.05528	12.0
237.05580	3.8
239.07156	44.7
241.05132	17.5
243.06647	25.3
249.05659	2.8
255.03082	4.7
265.05054	13.7
267.06647	96.2
268.06723	4.4
269.04572	79.0
270.05048	4.8
271.05975	2.6
283.02530	28.8
284.03058	2.3
293.04581	33.0
298.04846	33.3
311.05646	100.0
312.05896	3.7
313.07166	22.3
347.90573	2.3
352.36853	1.7
473.11252	2.1
475.12442	12.1
517.13550	6.5
571.14532	5.4
615.14215	2.2
769.17218	3.5
787.18579	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	831.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14871	1.3
72.33092	0.3
85.02943	0.3
89.33701	0.2
108.02217	0.2
109.02961	6.8
133.02968	21.0
134.03456	0.2
135.04530	0.4
136.52585	0.2
137.06097	0.2
145.06615	1.1
149.06131	1.1
151.04065	1.0
161.02492	0.8
163.07692	0.3
173.06078	2.3
174.03334	0.4
175.04037	1.8
175.07668	0.3
177.01945	1.2
188.04871	0.3
189.01987	0.3
189.05600	0.7
190.02722	0.2
191.07153	3.9
193.05179	0.3
193.08698	0.7
201.01909	0.5
201.05606	0.6
203.03752	0.2
203.07144	0.2
205.05093	0.3
211.04022	0.3
212.04808	0.4
216.04341	0.2
217.05084	5.1
217.07106	0.3
217.08551	0.3
219.06549	0.3
227.03514	0.7
227.07188	0.2
229.05035	0.7
235.09700	0.2
237.09354	0.3
241.08647	0.3
243.06647	1.7
245.04652	0.3
253.05003	0.7
253.08824	0.3
254.05783	0.4
255.02901	0.5
255.10327	1.3
256.03616	0.3
257.04590	0.9
257.08185	0.5
261.07745	0.5
265.08636	0.4
269.04532	0.7
271.06058	0.5
271.09781	0.2
273.04099	0.7
273.07468	0.2
274.04788	0.3
280.03897	0.3
281.04761	0.5
281.08218	2.8
283.06641	0.3
283.09778	1.5
291.06738	0.5
297.04514	0.3
297.07709	1.5
297.11023	0.3
298.04868	1.2
299.09290	2.2
301.10806	0.4
309.07727	5.7
309.10803	0.2
325.10794	0.9
327.08749	19.4
328.09137	0.9
330.20135	0.2
353.10315	4.5
354.10843	0.2
371.11377	100.0
372.11682	4.0
378.24954	0.3
402.76404	0.2
415.10226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90247	0.3
63.56823	0.2
69.19209	0.6
69.19619	0.9
91.22978	0.3
93.03455	0.5
96.95998	0.3
98.21886	0.6
106.84863	0.3
109.02965	6.6
120.91534	0.3
122.33617	0.3
132.02220	0.4
133.02975	20.5
134.03763	0.5
135.04568	0.3
137.06142	0.3
145.02966	0.5
145.06610	0.8
149.06120	1.0
151.04053	0.9
158.03763	0.4
159.52254	0.3
161.02409	0.5
163.07643	0.3
173.06097	2.0
175.04097	2.2
175.07825	0.3
177.01942	1.3
177.05594	0.3
187.03996	0.5
189.05623	0.6
190.02776	0.4
191.07161	2.9
193.08743	0.5
201.01868	0.7
205.05234	0.4
211.04007	0.4
217.05086	5.0
222.07019	0.3
225.05545	0.3
227.03564	0.8
228.04219	0.4
229.05025	0.8
238.93369	0.3
243.06659	1.4
253.05098	0.6
255.02895	0.4
255.10297	1.3
257.04593	0.8
257.08093	0.4
261.07742	0.6
265.08691	0.6
269.04605	0.3
271.06268	0.6
273.03973	0.4
274.04709	0.4
280.03857	0.3
281.04938	0.5
281.08249	2.5
283.06229	0.3
283.09750	1.1
289.42792	0.4
291.06693	0.4
297.07770	2.0
298.04910	1.1
299.06378	0.4
299.09265	1.6
309.07727	4.7
309.11163	0.5
312.06448	0.4
325.10791	0.9
327.08774	17.4
328.09109	1.1
335.09662	0.3
353.10330	5.0
371.11386	100.0
372.11700	4.7
415.10425	2.7
416.11234	0.3
565.90436	0.3
769.98340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
63.02398	0.9
69.51759	2.6
69.52160	1.7
93.03473	1.9
105.47379	1.0
107.01409	2.2
109.02943	1.0
117.03477	14.2
119.05038	1.0
120.13474	0.8
121.02905	0.8
133.02971	2.9
149.02473	2.4
149.06110	1.5
151.00392	2.1
159.04556	2.8
161.02446	2.6
165.05611	1.3
170.41846	0.9
173.06137	1.4
175.25978	0.9
177.76550	0.9
183.04526	2.9
189.05699	1.3
191.07182	1.8
196.05212	1.5
197.06052	1.5
201.05632	1.9
225.05562	4.4
253.05135	1.6
269.04568	100.0
270.04883	4.9
273.66409	1.1
293.08023	1.0
307.06177	1.0
311.05811	1.6
311.09259	5.3
325.07101	1.3
341.10498	1.3
355.11905	21.7
356.12112	1.7
369.09793	11.3
381.09824	3.9
387.11020	7.2
399.10895	2.1
431.09857	98.2
432.10306	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	831.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.2
65.00359	1.6
65.99832	2.0
71.01400	3.4
72.99297	1.5
83.01395	2.1
85.02959	8.4
87.00893	2.2
95.01395	4.9
98.02484	1.6
99.00864	2.8
107.01408	2.1
113.02467	18.3
122.02478	2.6
123.00879	8.1
137.01253	1.5
139.02722	1.4
140.03532	5.6
150.01987	2.4
151.00418	3.2
165.00656	2.4
166.01450	1.5
167.02258	1.9
169.06621	1.5
171.04550	2.0
173.06090	6.2
175.02489	9.7
187.07681	2.0
195.07776	2.3
210.84312	1.3
213.05577	3.7
226.08783	3.0
227.67482	1.3
252.06779	1.6
254.05812	1.8
254.08250	20.4
255.06638	45.8
256.06979	1.9
269.07019	4.0
270.07675	3.5
272.09329	20.1
294.11423	3.0
327.13562	2.6
337.11942	2.1
338.10324	6.2
355.13022	41.1
356.13321	1.8
381.06088	1.5
381.10696	7.7
382.09277	5.5
398.13510	2.6
399.11990	100.0
400.12302	4.5
431.09985	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	831.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
71.01377	4.7
71.41872	4.1
75.36758	2.9
81.68983	2.5
93.03465	5.3
121.02982	10.9
122.03788	16.9
133.02992	4.3
135.04572	6.3
136.01689	24.8
149.02438	25.5
150.03238	100.0
151.00404	7.3
151.04053	23.9
151.79512	2.4
162.03229	8.4
163.04013	4.0
164.04831	5.6
165.05582	81.4
166.02834	13.0
167.03426	3.6
170.61273	2.7
175.03979	3.3
177.05630	9.2
179.03670	3.1
180.04262	5.2
181.05074	16.7
189.05658	6.7
190.06412	6.7
195.06644	72.7
247.98508	2.6
357.09464	4.4
357.13406	11.0
364.99921	3.5
387.14520	64.4
388.14624	3.1
535.19849	74.2
536.19879	7.3
565.20764	5.4
583.21863	46.3
584.21667	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	831.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
71.01377	4.7
71.41872	4.1
75.36758	2.9
81.68983	2.5
93.03465	5.3
121.02982	10.9
122.03788	16.9
133.02992	4.3
135.04572	6.3
136.01689	24.8
149.02438	25.5
150.03238	100.0
151.00404	7.3
151.04053	23.9
151.79512	2.4
162.03229	8.4
163.04013	4.0
164.04831	5.6
165.05582	81.4
166.02834	13.0
167.03426	3.6
170.61273	2.7
175.03979	3.3
177.05630	9.2
179.03670	3.1
180.04262	5.2
181.05074	16.7
189.05658	6.7
190.06412	6.7
195.06644	72.7
247.98508	2.6
357.09464	4.4
357.13406	11.0
364.99921	3.5
387.14520	64.4
388.14624	3.1
535.19849	74.2
536.19879	7.3
565.20764	5.4
583.21863	46.3
584.21667	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	832.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
65.00328	2.7
67.01884	0.6
69.61878	1.5
69.62278	1.0
71.01387	0.6
79.70662	0.5
79.95735	1.2
81.03497	1.0
81.79346	0.5
82.02977	3.5
83.01403	0.9
85.02951	1.8
87.56694	0.6
95.01409	1.7
95.05042	0.7
97.02969	0.8
98.02496	4.3
99.00896	7.6
100.04044	0.8
105.03505	0.6
107.01386	1.3
107.05047	0.9
108.02171	0.7
109.02954	1.5
110.00109	3.7
111.00919	2.0
111.04525	1.2
113.02443	2.9
113.58067	0.5
116.03547	0.7
119.05075	1.0
121.02979	0.9
123.00932	1.3
123.04560	1.2
124.01661	1.7
126.01959	1.0
133.02940	1.5
135.00894	0.9
136.98824	2.2
137.02400	0.7
137.99574	1.5
138.01953	0.8
139.00388	2.0
144.03029	1.7
147.04503	0.9
149.02463	1.6
149.57117	0.5
150.03346	0.7
151.00392	2.2
151.04041	0.9
152.01164	1.8
153.02029	0.6
157.06636	0.9
159.00851	1.3
161.02460	0.6
164.98288	2.7
165.99048	3.4
166.99863	1.5
167.03510	0.9
171.04524	0.7
171.08128	0.7
173.06120	2.4
175.02492	1.7
175.03995	1.4
177.01930	4.2
181.06599	0.7
185.06047	0.9
199.07648	0.6
202.99890	2.2
211.07590	0.6
211.61398	0.6
213.05466	0.6
225.05592	2.7
227.07143	2.7
237.09352	2.5
237.11377	0.6
237.57805	0.6
239.07141	1.1
241.05058	0.8
243.06615	9.3
253.05148	2.2
253.08691	1.4
265.05069	0.9
269.04568	6.5
270.05310	3.8
271.06152	15.0
281.08194	7.7
285.04047	13.3
286.04227	0.7
290.92316	0.6
299.05472	1.3
300.02673	1.8
307.06158	7.6
314.04291	0.7
315.05209	2.3
324.08844	1.3
325.06873	0.6
352.08246	1.9
352.69629	0.5
370.09326	100.0
371.09665	7.1
379.00882	1.2
395.00745	4.0
461.07343	4.8
462.08228	0.6
627.09729	0.6
760.72406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
65.00328	2.7
67.01884	0.6
69.61878	1.5
69.62278	1.0
71.01387	0.6
79.70662	0.5
79.95735	1.2
81.03497	1.0
81.79346	0.5
82.02977	3.5
83.01403	0.9
85.02951	1.8
87.56694	0.6
95.01409	1.7
95.05042	0.7
97.02969	0.8
98.02496	4.3
99.00896	7.6
100.04044	0.8
105.03505	0.6
107.01386	1.3
107.05047	0.9
108.02171	0.7
109.02954	1.5
110.00109	3.7
111.00919	2.0
111.04525	1.2
113.02443	2.9
113.58067	0.5
116.03547	0.7
119.05075	1.0
121.02979	0.9
123.00932	1.3
123.04560	1.2
124.01661	1.7
126.01959	1.0
133.02940	1.5
135.00894	0.9
136.98824	2.2
137.02400	0.7
137.99574	1.5
138.01953	0.8
139.00388	2.0
144.03029	1.7
147.04503	0.9
149.02463	1.6
149.57117	0.5
150.03346	0.7
151.00392	2.2
151.04041	0.9
152.01164	1.8
153.02029	0.6
157.06636	0.9
159.00851	1.3
161.02460	0.6
164.98288	2.7
165.99048	3.4
166.99863	1.5
167.03510	0.9
171.04524	0.7
171.08128	0.7
173.06120	2.4
175.02492	1.7
175.03995	1.4
177.01930	4.2
181.06599	0.7
185.06047	0.9
199.07648	0.6
202.99890	2.2
211.07590	0.6
211.61398	0.6
213.05466	0.6
225.05592	2.7
227.07143	2.7
237.09352	2.5
237.11377	0.6
237.57805	0.6
239.07141	1.1
241.05058	0.8
243.06615	9.3
253.05148	2.2
253.08691	1.4
265.05069	0.9
269.04568	6.5
270.05310	3.8
271.06152	15.0
281.08194	7.7
285.04047	13.3
286.04227	0.7
290.92316	0.6
299.05472	1.3
300.02673	1.8
307.06158	7.6
314.04291	0.7
315.05209	2.3
324.08844	1.3
325.06873	0.6
352.08246	1.9
352.69629	0.5
370.09326	100.0
371.09665	7.1
379.00882	1.2
395.00745	4.0
461.07343	4.8
462.08228	0.6
627.09729	0.6
760.72406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.6
67.68490	0.7
69.03448	1.0
69.81221	2.5
71.01025	1.4
71.01389	20.0
73.02954	10.2
83.01382	3.9
85.02953	8.9
87.00906	1.6
88.41318	0.7
89.02436	3.3
94.02975	5.1
95.01415	2.0
97.02933	2.2
99.00874	2.0
101.02446	15.4
108.02183	38.9
113.02461	15.3
119.03521	0.8
125.02452	4.0
125.33872	0.7
131.03485	1.4
143.03535	5.1
143.05052	2.2
144.05780	0.8
161.04550	5.0
171.04530	9.3
172.05307	4.7
185.04655	0.8
199.03999	6.1
200.04808	40.7
201.05182	1.0
203.05661	2.0
216.65872	1.0
221.06699	1.3
236.77135	0.7
241.08681	1.7
245.06613	0.9
269.04614	1.2
305.08838	1.3
336.12433	100.0
337.12860	3.7
380.23825	1.0
416.71539	0.8
460.25320	0.9
498.17969	1.5
540.19147	0.9
642.22003	5.9
660.23151	11.2
684.22833	1.9
702.24048	22.5
702.35773	1.4
703.24359	1.3
744.25085	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	832.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.0
61.98833	32.6
69.47874	2.7
70.41811	0.7
71.01387	7.6
73.02946	0.8
85.02950	5.1
87.00891	1.6
89.02451	4.6
94.41371	0.6
95.01410	2.2
98.05756	0.7
101.02443	2.3
105.03442	1.0
113.02448	10.6
113.03175	1.1
117.03487	1.2
119.03529	0.9
131.03542	1.8
132.02214	2.1
133.02968	42.8
134.03738	2.6
135.04524	10.2
136.99017	0.7
161.02451	100.0
162.02805	3.2
167.03510	0.9
172.89867	0.6
179.03516	4.8
191.05634	0.9
301.03644	0.8
311.07819	1.3
325.02872	0.7
520.12769	0.7
607.22430	1.4
769.25598	60.1
770.26019	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	833.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.3
59.37824	1.0
63.72577	1.0
69.42214	3.2
71.01396	6.3
73.02933	1.2
85.02972	2.5
89.02450	2.1
95.01408	1.0
97.02959	1.0
101.02460	3.0
109.02974	2.3
113.02461	2.6
121.02981	1.2
123.04525	1.2
132.02159	1.9
133.02966	27.3
134.03792	5.2
135.04538	52.2
149.06053	3.3
159.04451	1.2
160.01759	1.1
161.02458	100.0
162.02771	3.3
167.03456	2.4
175.04050	2.4
177.05597	9.1
179.03514	42.2
180.03940	1.2
192.48940	0.9
203.03474	3.9
220.03741	1.4
221.04549	12.6
221.96593	1.0
233.04521	1.7
235.05800	1.0
263.05624	1.5
269.04474	1.6
273.18484	1.3
280.06052	2.4
297.03967	1.2
317.17767	1.0
323.07739	39.9
324.07999	1.5
347.18671	31.4
348.18921	1.4
386.64377	1.2
629.36188	1.6
671.27148	46.6
672.27460	3.8
791.41547	1.1
833.32501	45.4
834.32831	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	833.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
65.00328	0.5
80.97740	0.3
95.01395	1.0
96.99326	0.5
107.01435	0.4
111.00894	7.0
123.00886	1.4
125.02475	0.4
133.02968	0.5
135.04495	2.1
136.98811	0.9
137.02377	0.4
139.00392	6.9
149.02509	0.5
151.00366	0.7
159.04512	0.4
164.98282	1.0
165.01971	0.4
165.99094	0.4
166.99887	4.4
171.04523	0.5
177.01933	1.4
183.04485	0.5
185.06123	0.9
187.04015	0.9
189.05603	0.3
195.04565	0.5
201.01868	0.6
201.05612	0.9
211.04034	1.1
215.03583	0.8
227.03691	0.8
229.04980	0.6
233.04570	0.6
239.03455	1.3
241.01547	0.4
255.03029	0.9
257.04678	0.6
259.02509	0.6
273.03964	0.4
283.02414	0.8
285.04013	0.5
287.05524	0.7
301.03546	100.0
302.00540	0.2
302.03836	5.5
378.89359	0.4
380.99231	55.1
381.99634	3.1
386.42642	0.4
636.26837	0.3
761.69440	0.4
827.99829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
65.00334	3.1
71.39880	1.4
81.03490	1.4
82.02988	2.5
85.00720	1.4
95.01413	2.9
98.02483	4.5
99.00902	6.3
108.20327	1.3
109.02955	1.5
110.00114	2.8
111.00853	1.7
119.05019	2.9
126.02000	2.2
133.02951	2.0
135.04565	1.7
137.02429	2.0
138.01991	1.7
139.00394	2.7
149.02486	2.6
153.01970	2.5
155.06953	1.4
164.98285	2.1
165.99149	2.7
166.99918	2.3
173.06131	2.1
175.04045	2.5
177.01927	6.2
197.06224	1.4
225.05544	2.1
227.07028	2.0
237.08972	1.8
241.55533	1.5
243.06622	8.7
269.04514	3.4
270.05246	2.7
271.06189	12.3
281.08215	6.5
287.05508	7.7
301.03448	2.6
307.06143	6.6
325.40567	1.5
352.08157	2.4
370.09351	100.0
371.09708	6.5
463.08777	3.4
651.76471	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	835.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
67.32156	0.4
69.13729	2.8
71.01384	1.5
72.98903	0.9
72.99313	16.8
75.00847	0.4
75.13428	0.4
85.02959	1.5
95.01404	0.5
99.00888	0.6
107.05076	0.5
109.02912	0.6
111.20151	0.4
113.02476	3.6
123.04536	6.7
132.02156	1.1
132.31395	0.5
133.02960	22.2
134.03740	0.6
135.03485	0.8
135.04530	17.5
151.00401	0.5
151.04095	0.5
161.02455	100.0
162.02829	2.1
163.00395	1.2
164.40237	0.5
175.02492	1.4
179.03510	14.4
180.03798	0.5
188.50043	0.4
195.20679	0.4
197.04559	19.7
223.02458	0.5
240.96339	0.4
241.96788	0.3
255.03157	0.7
283.02597	0.8
284.03287	14.5
285.03564	0.8
299.05612	10.6
300.06039	0.7
359.07736	43.1
360.07904	2.1
475.08835	1.9
524.36945	0.5
667.92377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.9
71.01402	2.3
74.37035	2.5
83.01394	5.2
88.98828	7.4
89.02499	2.0
100.49331	2.0
102.24109	1.9
109.02962	7.8
124.01658	3.5
125.02460	57.6
132.02191	2.0
137.02525	4.7
147.00920	2.2
149.02452	6.4
160.01707	8.5
161.02473	9.1
163.00340	2.8
165.01958	4.7
165.05638	2.2
173.05974	3.1
175.03955	11.4
180.14093	2.0
189.05534	2.5
196.05431	2.6
199.04031	9.6
200.04814	2.9
209.11864	4.9
210.03235	6.8
211.04027	10.0
211.07671	3.4
213.05598	3.1
215.61983	2.2
217.05080	4.5
221.06181	2.7
223.04059	9.7
224.04709	10.3
225.05594	2.3
227.03505	5.9
227.07094	4.6
229.08804	2.6
229.12024	2.8
235.07674	2.9
237.05602	2.4
237.09236	3.5
238.06291	3.4
239.03529	2.3
239.07127	32.1
240.04459	4.6
240.08034	3.0
241.05183	5.3
243.03098	2.2
245.08018	2.8
251.03621	2.8
253.08800	2.4
255.02962	4.3
255.10233	2.9
257.04346	2.9
257.08243	11.0
260.56516	2.1
261.05557	2.3
263.07184	4.1
264.04266	2.3
267.02997	17.8
268.03876	11.8
271.09769	3.1
279.07071	2.2
279.10272	5.6
283.02573	8.8
284.03293	7.5
285.04077	25.8
286.04715	2.9
291.06683	4.2
302.84625	2.5
307.06131	2.7
308.06918	5.0
319.09824	3.0
321.07794	5.0
321.11060	3.9
336.06393	6.2
337.10846	4.2
339.08704	2.9
339.20160	2.4
347.09161	17.9
355.11929	6.1
365.10312	100.0
366.10651	5.1
383.11569	11.5
389.10266	6.5
407.11197	3.7
461.14774	6.2
489.10431	29.5
490.11084	14.7
569.16705	52.4
570.17194	4.4
587.17719	29.7
600.40302	2.2
630.91516	2.2
693.16302	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	835.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
69.32431	0.4
69.32826	0.4
71.01393	1.1
73.02941	0.6
83.01377	0.2
85.02986	0.5
87.50138	0.2
89.02453	0.4
101.02441	1.0
110.29588	0.2
113.02487	0.3
121.02962	0.5
122.03792	0.2
147.04597	0.9
148.05316	95.5
149.05658	3.3
163.07661	100.0
164.07982	3.4
203.05598	0.3
207.06664	0.2
209.11880	0.2
246.32184	0.2
257.28027	0.2
291.18161	0.6
360.01129	0.2
367.13913	0.8
423.22501	2.1
827.82819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.62767	2.5
69.81480	7.9
69.81803	2.6
71.32668	2.3
91.52209	2.8
96.66894	2.7
160.71207	2.5
200.48486	2.7
231.18445	2.5
401.85699	2.8
655.76404	2.9
704.79895	3.0
741.93988	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	837.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40070	1.4
69.82262	2.3
69.82610	3.5
86.84490	1.3
106.24882	1.2
117.03528	4.3
140.39127	1.4
144.32843	1.3
154.04291	2.4
198.03188	2.2
226.02705	6.9
254.02208	3.5
269.04565	8.1
290.16528	1.6
297.04044	90.4
298.04456	2.2
312.06427	22.2
327.08728	100.0
328.09164	3.8
407.04440	95.5
408.04721	4.6
685.37585	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82450	0.4
59.01385	12.6
61.98833	1.0
69.39069	2.2
71.01383	5.7
71.05031	0.7
73.02956	9.9
83.01407	2.7
83.05070	0.4
85.02941	1.1
89.02453	1.8
96.96017	0.4
97.02997	0.5
101.02455	15.2
113.02451	1.5
119.03521	1.8
119.05000	0.7
122.02489	1.4
125.02485	0.7
131.03514	0.6
134.03792	0.6
137.40623	0.5
143.03468	1.5
150.03282	0.5
155.03520	0.7
161.04570	1.8
176.82957	0.4
193.05098	1.4
203.05687	3.8
261.92749	0.5
263.07736	1.0
285.04138	1.5
340.89554	0.5
409.34845	1.8
411.32657	2.0
423.32666	0.8
425.34479	0.7
427.35773	1.6
441.33740	0.9
453.33762	9.3
467.35904	0.4
471.34830	100.0
472.35135	4.7
485.36337	1.6
497.33099	0.7
513.36041	4.6
543.36896	0.6
675.41516	0.9
717.42401	0.7
759.42224	0.5
837.47034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53580	4.4
73.20802	1.1
79.95741	24.3
80.96519	1.4
82.42776	1.1
86.04549	1.0
98.22633	2.0
110.00026	1.2
117.03523	2.1
163.00375	6.1
178.99892	1.5
184.05476	1.3
196.05284	2.1
198.03162	2.0
198.05005	1.1
224.04767	3.0
226.02753	3.1
239.03543	1.1
240.04169	1.3
254.02107	1.5
267.03003	1.4
268.03790	92.4
269.04404	7.3
271.06198	1.3
283.02896	2.0
283.06131	38.0
284.06100	1.2
297.04062	42.4
297.07410	2.2
312.06445	7.2
327.08746	45.2
343.15454	2.9
363.01813	100.0
364.02167	4.2
387.40591	1.1
407.04428	49.5
465.31677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27570	0.7
78.18127	0.8
117.03459	4.3
117.29243	0.7
153.01947	1.1
154.04271	1.6
161.02509	1.1
178.99870	2.6
198.03271	1.5
207.04625	0.8
226.02715	8.4
227.03201	0.9
235.03967	1.4
254.02245	4.4
266.02148	0.9
269.04590	10.2
297.04065	86.7
298.04382	4.8
312.06454	15.6
313.06833	1.2
327.08762	97.0
328.09177	4.1
407.04443	100.0
408.04840	4.7
409.04459	1.4
660.71088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01884	3.0
65.00327	4.0
65.99852	35.0
68.31836	2.5
91.94642	2.9
110.02580	3.9
110.23511	3.3
112.71775	3.1
119.00135	5.7
123.03292	3.8
134.02510	7.1
135.03279	4.7
136.00415	17.4
145.06526	4.6
151.02736	5.5
163.99904	10.3
166.01526	4.1
171.04555	7.7
174.99106	4.4
175.99892	25.6
189.00659	5.0
192.03056	5.2
197.06175	7.8
203.99454	11.1
218.00870	4.9
224.07256	3.7
234.00453	8.0
240.06635	3.5
242.08246	49.4
246.00507	4.6
250.17458	3.5
252.06631	3.9
255.06665	7.5
261.99911	24.7
262.05164	3.8
268.03662	3.4
268.06146	18.2
270.07730	86.3
280.06192	53.5
296.05740	17.6
306.04156	11.3
306.07980	3.7
308.05643	17.9
320.05707	4.4
334.03488	11.8
348.04980	4.4
350.06635	9.2
362.06738	4.5
366.06213	50.3
377.05270	15.7
378.06235	16.2
405.05197	4.2
406.05536	5.9
410.10303	6.7
412.11868	6.4
415.31647	3.2
438.09790	41.0
454.12961	5.8
492.10797	13.2
494.12170	4.9
508.09637	4.0
510.11847	13.3
524.13611	3.7
524.74469	3.7
536.09924	100.0
537.10474	7.9
538.11273	4.2
554.11139	29.6
807.19067	5.5
824.31128	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	839.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.8
66.61648	0.9
68.55026	0.9
69.03457	1.7
69.42911	4.7
71.01394	9.2
72.99313	1.2
73.02941	3.5
83.01404	2.0
85.02940	4.5
87.00884	2.7
89.02459	5.3
95.01406	1.4
96.96048	2.2
101.02460	4.5
113.02467	8.4
114.99066	0.9
117.03494	5.7
119.03488	1.0
119.04996	5.9
125.02414	2.0
131.03555	4.6
132.02191	26.1
134.03758	51.9
135.04176	1.0
135.88013	1.1
137.06113	5.2
149.04573	1.4
149.06085	4.5
160.01675	94.1
161.02246	4.2
175.04016	100.0
176.04367	3.6
178.02744	2.5
191.05620	1.8
193.05069	37.2
194.05412	1.3
226.02812	1.2
269.04556	4.1
297.04144	4.9
313.07013	1.2
327.08722	2.4
407.04288	3.7
445.17102	1.2
465.16400	1.1
481.15555	1.2
487.18484	1.8
600.42065	1.0
601.21332	2.8
619.22504	11.1
663.22644	1.5
795.27161	56.4
796.27631	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	839.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	48.4
71.01387	38.6
71.40933	1.3
73.02953	8.4
78.95914	2.6
81.03468	1.5
85.02964	5.8
87.00883	13.0
89.02450	40.9
95.01402	3.7
96.96013	4.4
96.96954	3.5
97.02969	2.6
99.00864	1.8
101.02454	34.8
113.02460	16.7
119.03493	8.3
125.02430	5.3
131.03496	3.1
131.08275	78.2
141.01962	1.5
143.03511	8.6
149.04614	1.8
156.07755	3.3
161.04535	7.3
173.10448	20.3
179.05621	21.4
179.10452	1.2
203.05606	2.2
221.06679	13.5
323.09766	1.5
341.10971	14.9
383.11972	41.7
384.12448	2.5
443.13974	11.4
462.42828	1.6
485.15305	10.3
665.21527	100.0
666.21735	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	841.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02158	0.5
63.91715	0.4
65.00323	0.5
65.48484	0.5
78.42575	0.5
79.95738	6.7
82.00625	1.0
97.32504	0.5
98.22756	0.7
110.00105	10.4
119.05017	2.9
137.99603	5.7
153.01933	1.6
163.00371	1.1
164.01175	1.0
165.99084	12.7
181.01447	1.6
187.04012	0.8
200.04761	0.8
211.04050	0.7
212.04823	1.9
214.02666	1.9
227.03525	0.7
240.04164	0.7
255.46838	0.5
256.03754	0.6
267.03012	0.7
284.03287	59.8
285.03680	2.2
299.05621	92.5
300.06024	3.5
369.75314	0.6
379.01303	100.0
380.01645	2.8
594.48279	0.6
646.95544	0.6
757.77313	0.6
844.82208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.4
69.03450	1.3
71.01385	26.6
71.41488	1.4
73.02948	5.8
83.01377	2.6
85.02957	7.9
87.00889	11.8
89.02451	17.6
89.03972	2.4
95.01396	3.5
96.96018	2.2
97.02960	2.8
98.83967	1.0
99.00896	3.6
101.02450	21.2
109.02978	1.4
111.00888	6.4
113.02464	15.9
117.03512	5.3
118.60057	1.1
119.03503	2.3
123.00891	1.9
125.02431	5.7
131.03549	1.2
132.02180	17.5
133.02895	1.8
134.03751	88.2
135.04073	2.0
137.02406	1.8
139.00385	5.5
141.01958	11.8
143.03529	7.2
148.05232	1.6
149.06071	11.2
152.33014	1.0
160.01665	86.3
161.02284	4.2
161.04587	4.7
168.35735	0.8
174.62761	1.2
175.04012	100.0
176.04578	5.2
177.01807	1.2
178.02698	9.6
179.05608	5.9
191.07072	5.2
192.04239	1.2
193.05064	76.2
194.05394	2.0
203.05586	4.8
207.06676	4.6
217.04982	1.5
220.03783	1.4
221.06711	5.7
235.06117	13.5
235.08263	1.7
263.07416	1.2
265.07187	6.0
295.08258	5.3
301.03491	3.1
303.05069	7.2
304.05609	1.2
323.09714	2.1
341.11014	1.3
355.10464	3.2
365.10986	5.5
383.11890	6.9
383.16418	1.2
397.11255	12.9
398.11633	1.1
427.12543	4.5
457.13550	4.3
479.08344	9.2
480.08749	1.4
485.15231	2.6
517.15717	3.8
559.16724	15.9
589.17432	2.4
619.18903	4.8
647.20203	10.2
665.21698	3.5
758.91278	1.2
841.26233	72.9
842.26514	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	841.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.3
79.95746	0.6
80.96526	0.4
95.44587	0.3
133.28279	0.3
148.02879	0.3
194.54941	0.3
198.34518	0.3
255.17535	0.7
259.04343	0.3
261.05923	12.2
261.08710	0.6
262.06406	0.7
275.07483	2.1
289.09085	12.8
290.09796	5.9
291.10318	0.4
319.13754	100.0
320.14090	4.2
322.08817	1.0
519.03735	0.3
776.42621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.4
69.49222	0.4
69.49503	1.5
74.54739	0.4
77.01051	0.3
79.95772	0.6
87.63375	0.3
96.95994	0.3
100.53910	0.3
102.48394	0.4
118.60900	0.3
124.18008	0.3
255.17395	0.8
259.04459	0.5
260.05389	0.6
261.05899	11.1
262.06491	0.7
275.07578	2.3
289.06619	0.2
289.09055	11.6
290.09799	5.3
319.13751	100.0
320.14120	4.3
322.08890	0.7
773.69049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
66.75645	0.2
69.68238	0.4
69.68607	0.4
79.95362	0.2
79.95779	0.6
80.95691	0.2
96.96025	0.8
98.95611	0.4
98.96477	0.2
116.92856	0.5
148.51259	0.2
183.01210	2.5
184.02017	0.6
195.59753	0.2
197.02788	21.5
198.03568	4.2
211.04349	0.8
212.05206	0.5
230.02583	1.6
230.78786	0.2
253.09180	0.3
267.10522	0.3
311.16736	0.2
325.18436	100.0
326.18753	5.5
331.73315	0.2
595.76086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	7.4
81.85836	2.0
84.04572	4.4
96.04549	2.9
143.41344	1.8
144.34874	1.7
152.22157	1.6
155.75284	1.7
166.05130	11.1
171.04576	3.0
190.05173	8.3
209.05954	2.1
228.73305	2.0
234.04085	7.6
268.03781	3.2
283.06342	1.8
294.11154	4.0
296.09299	3.0
303.72220	1.9
338.10379	55.2
339.10809	3.6
340.11880	3.1
382.09402	100.0
382.14093	7.1
383.09579	7.5
742.50488	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	842.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24896	0.6
69.16483	1.6
69.16890	1.6
92.01263	0.5
93.07093	0.8
96.96013	1.9
97.06592	1.0
115.04002	2.1
121.10252	7.6
122.02494	1.1
123.08212	0.7
125.09722	5.1
141.12865	1.4
156.22379	0.5
165.34755	0.5
185.11842	10.0
197.11852	2.7
209.11896	1.2
211.13423	1.5
223.13377	1.2
247.13329	0.6
247.20610	0.6
265.14813	2.0
273.18741	0.9
291.19681	100.0
292.19998	2.9
297.15393	0.8
659.54779	0.6
839.15045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37202	0.4
69.77975	0.9
69.78368	1.0
89.57368	0.4
95.01381	1.3
99.00884	0.7
111.00906	7.5
123.00925	2.4
125.02499	0.8
133.02979	0.7
135.04546	2.2
136.98816	0.9
139.00383	7.1
147.67953	0.4
149.02487	0.7
151.00380	0.7
161.02481	0.6
164.98370	1.3
166.99850	4.1
177.01953	1.5
187.04007	1.2
201.01962	0.7
201.05722	0.7
211.03973	1.3
215.03526	1.3
219.41032	0.5
227.03368	0.7
229.05043	1.0
233.04527	0.9
239.03491	1.1
241.01454	0.5
255.02974	0.8
259.02588	1.0
283.02585	1.0
299.01968	1.3
301.03561	100.0
302.03870	5.1
304.28918	0.5
306.47760	0.6
342.00168	0.5
380.99243	46.5
381.99808	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	843.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
59.08601	0.6
85.02946	1.6
87.04539	2.9
97.02972	2.5
98.03757	1.1
99.04528	2.0
113.02467	0.9
147.08197	0.7
156.56892	0.6
167.98685	0.8
171.04428	0.7
171.08162	1.8
173.09744	1.2
175.11320	0.8
177.12842	0.8
184.09000	0.7
185.06108	1.1
185.09668	0.7
187.04031	0.9
187.11305	4.5
189.12839	1.4
203.10770	1.9
205.12375	6.8
207.13969	1.5
213.05646	1.8
215.03714	0.7
217.12256	0.9
219.13913	1.0
229.05011	0.7
235.13385	1.7
236.16766	0.7
263.20175	1.6
275.19968	0.9
285.04068	28.9
286.04617	1.2
293.21185	2.3
307.19077	0.9
319.19122	8.2
337.20215	21.9
338.20520	1.9
349.19073	0.7
363.18134	1.1
381.19217	100.0
382.19568	6.2
461.07303	23.4
462.07605	1.7
659.65173	0.7
768.48969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
63.25507	0.5
69.03467	3.7
72.77102	0.4
73.02940	1.1
73.30441	0.5
76.27094	0.4
79.58266	0.4
81.97116	0.4
85.02946	0.9
96.96081	0.4
97.02959	1.0
97.06628	0.5
99.04530	1.4
107.05067	0.5
111.08160	0.7
117.11429	0.5
121.06612	8.8
123.08158	0.6
135.08191	0.6
137.09679	0.6
147.08165	0.6
149.09834	0.5
151.11299	0.7
189.12877	0.9
205.16046	0.9
219.14110	0.6
220.74930	0.5
245.19095	1.3
252.55312	0.5
257.19113	1.1
260.94138	0.5
261.18619	0.9
263.20163	1.9
271.17154	1.8
275.20172	1.5
285.04062	14.7
289.18137	7.0
301.03589	0.8
301.18051	0.7
307.19061	1.1
319.19296	1.5
337.20239	32.5
338.20490	0.9
381.19223	100.0
382.19812	3.8
461.07315	8.3
732.80829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84832	0.6
74.57029	0.7
75.95173	0.6
77.29443	0.6
80.74236	0.6
85.27629	0.6
89.52402	0.6
108.67372	0.7
111.00894	7.2
123.00889	2.5
125.02499	0.8
133.03000	1.5
135.04536	2.3
136.98830	0.8
139.00401	7.9
149.02434	0.6
150.31825	0.7
151.00333	0.7
159.04599	1.0
164.98280	0.7
166.99834	5.1
177.02022	1.7
178.29263	0.6
185.06090	0.7
187.04086	0.9
201.05615	0.9
201.36844	0.6
211.04021	1.3
215.03593	0.9
218.59311	0.6
233.04536	1.1
255.03029	0.9
259.02280	0.8
283.02603	0.7
301.03568	100.0
302.03909	4.9
380.99240	46.0
381.99530	4.0
420.56793	0.7
447.50052	0.7
537.02802	0.7
630.65051	0.7
643.57715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50615	0.4
65.00314	0.7
69.74297	1.5
70.37998	0.4
77.51827	0.5
78.21922	0.5
83.01402	0.5
95.01404	1.0
98.21988	0.7
111.00896	7.8
123.00901	1.8
125.02415	0.7
133.02933	0.8
134.03749	0.6
135.04515	2.9
136.98833	1.2
137.02380	0.6
139.00383	8.3
149.02449	0.8
151.00362	0.8
153.01982	0.7
159.04555	0.7
161.02473	0.5
164.98277	0.9
166.99863	4.7
171.04591	0.7
177.01945	1.6
185.06030	0.6
187.03998	0.6
192.00723	0.8
201.05595	1.2
211.03987	1.1
215.03476	0.9
227.03656	0.6
233.04585	0.7
239.03337	1.1
251.13635	0.4
255.03041	0.9
257.04599	0.5
283.02420	0.7
287.05844	0.8
289.48508	0.4
299.02115	0.6
301.03549	100.0
302.03903	5.6
380.99249	45.2
381.53506	0.6
381.99347	2.1
529.76196	0.5
776.31897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.9
65.00345	1.1
67.01941	0.5
71.01391	8.9
72.99305	1.1
73.02951	6.1
75.00879	3.3
77.43430	0.4
83.01413	1.7
84.02191	0.5
85.02959	14.7
85.97265	0.4
86.03262	0.4
87.00903	1.8
88.07426	0.4
89.02473	1.9
95.01396	4.9
99.00894	4.5
101.02447	4.6
103.00381	2.6
110.00143	1.7
113.02460	29.9
114.02841	0.8
115.00385	0.9
117.01940	1.5
117.03524	0.6
119.01468	0.7
120.02190	0.6
129.01962	0.9
135.00896	0.7
136.97954	0.4
136.98813	2.3
137.02449	0.6
137.99586	0.7
143.03493	0.4
146.06075	0.4
149.04619	0.6
157.01450	0.6
161.04561	1.7
163.00381	7.4
164.01178	1.8
165.99094	1.3
175.02501	12.8
187.04019	0.9
200.04849	2.1
211.04008	0.9
212.04823	1.6
214.02766	1.7
227.03563	1.6
228.04320	1.5
239.03345	0.8
240.04395	0.5
255.03004	2.6
256.03757	1.3
283.02530	3.0
284.03290	100.0
285.03665	4.5
299.05621	94.2
300.05997	4.1
305.45010	0.4
309.21643	0.4
441.41342	0.5
475.08829	14.2
476.09042	1.4
627.54785	0.4
842.11298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.3
67.01896	0.7
68.89225	0.6
68.99850	1.0
69.03454	1.6
69.22811	3.4
71.01385	12.9
71.01742	1.0
71.73157	0.6
72.65250	0.6
73.02962	2.0
83.01395	4.1
85.02959	15.9
86.00101	1.2
89.14855	0.6
96.96040	1.3
97.02989	2.4
98.22696	1.2
99.00874	6.5
99.04540	0.7
101.02470	1.9
113.02453	20.1
122.03771	0.6
125.02353	4.7
136.13344	0.6
141.00737	0.9
141.01674	4.2
143.03543	1.7
147.04643	0.7
148.05319	100.0
149.05672	2.2
153.01711	5.9
155.03511	2.8
163.07661	94.0
164.08015	2.2
165.01683	1.5
167.03244	1.8
177.01794	1.9
183.02768	1.3
186.03580	0.7
193.04977	0.8
195.02786	3.0
196.02386	0.7
201.02661	0.8
203.06932	1.3
225.03821	47.3
243.05043	3.9
245.07953	31.9
246.08389	1.0
257.07986	14.2
259.09448	2.9
265.51520	0.7
269.02802	11.2
271.06265	1.1
287.09036	1.6
298.40964	0.6
299.08932	1.7
341.09830	2.3
347.11118	4.2
349.14124	1.7
369.31015	0.7
389.12524	3.4
389.16876	0.9
407.12823	1.1
449.13040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.6
64.56570	1.2
70.46666	1.2
71.01391	15.6
73.02953	3.2
78.01114	1.7
83.01379	2.1
84.33037	1.1
85.02960	4.5
87.00890	6.7
89.00335	2.2
89.02470	6.8
91.01868	1.6
95.01405	1.9
97.02975	1.4
99.00890	1.7
101.02457	8.7
106.00620	2.7
113.02445	9.4
114.99518	1.1
117.14311	1.1
121.02966	47.4
123.00892	4.4
125.02444	3.1
127.00394	1.1
136.94136	0.9
136.98807	1.2
137.02440	2.8
137.73358	1.0
138.03265	6.0
139.04005	2.0
143.03474	2.2
153.05591	41.5
161.04538	3.0
166.99847	3.6
168.50914	1.0
179.05620	2.9
181.01447	3.5
182.02234	12.4
183.03110	2.1
196.03754	4.3
197.04567	100.0
198.04933	2.5
203.05537	2.5
208.51894	1.0
211.06152	5.6
221.06688	2.8
224.03252	2.6
239.05664	20.3
250.21425	1.0
253.48074	1.0
269.06726	5.3
299.07742	4.5
346.30130	0.9
359.10141	1.9
365.10797	2.5
383.11649	1.2
401.10861	9.0
431.11877	2.7
461.12930	1.4
471.42023	1.0
481.52533	1.4
485.14676	1.1
540.43170	1.0
563.16132	9.3
593.17603	2.1
623.17963	5.4
647.20398	3.9
683.20062	1.6
845.25732	46.6
846.26501	4.1
863.85645	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	42.6
59.75742	0.2
60.01725	0.3
71.01395	0.5
71.41522	0.3
79.95747	0.7
85.02968	0.5
98.14106	0.2
98.21066	0.2
110.17454	0.3
113.02476	0.7
143.14014	0.3
161.10924	0.2
165.05574	100.0
166.05919	1.9
184.15417	0.2
221.97403	0.4
236.97844	0.7
237.04111	0.3
290.11166	0.3
607.22272	1.4
660.40930	0.3
678.14032	0.3
819.78979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.3
68.99802	1.2
69.03445	2.3
69.87075	1.4
71.01392	33.7
72.99318	7.4
73.02959	5.6
75.00880	19.3
77.22346	0.9
83.01396	3.4
85.02961	23.3
87.00887	9.7
93.03472	1.0
95.01421	4.5
96.95979	1.0
97.02959	3.4
99.00895	8.8
101.02466	8.0
105.64310	0.9
109.02977	1.3
111.00874	1.3
113.01712	1.7
113.02457	20.8
115.00383	2.6
119.05049	1.2
121.02912	2.1
122.18411	1.0
123.04511	0.9
125.02487	5.6
129.01929	1.2
131.03520	3.7
133.02983	1.3
136.27789	0.8
146.08624	1.0
149.04582	1.1
157.01387	1.4
161.04538	2.8
165.01965	3.4
166.99823	0.9
167.07150	1.8
175.02550	2.1
193.03484	0.9
289.16479	1.4
421.20831	1.2
587.92010	1.0
801.30408	100.0
802.30847	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	846.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98834	100.0
71.68719	0.1
93.03490	1.0
95.03439	0.1
100.35029	0.1
113.02450	0.2
134.03709	0.3
137.02464	2.4
160.01723	0.6
167.03590	0.2
173.02469	0.4
175.04047	0.6
193.05070	0.2
230.06871	0.1
249.53261	0.1
269.04398	0.2
319.06345	0.2
398.13611	0.2
557.76050	0.2
559.12836	0.4
589.13452	0.2
783.26959	1.3
826.42664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.8
66.88247	1.1
69.15981	6.0
71.01389	19.5
72.99307	5.1
73.02940	2.9
75.00883	12.6
83.01358	1.6
84.02159	0.9
85.02959	50.9
87.00882	9.2
89.02454	4.0
95.01398	17.6
98.21913	2.2
99.00883	21.0
103.00372	6.9
111.00847	1.7
113.02461	100.0
114.02785	1.9
115.00376	3.6
117.01991	5.3
129.01935	3.5
133.10475	0.9
137.02434	1.3
157.01436	1.7
163.00375	9.0
165.99022	2.2
167.08672	3.7
169.06601	6.9
175.02502	36.2
176.02763	1.2
184.05290	1.7
196.05487	1.5
198.03206	2.4
211.07652	67.1
212.04672	1.2
212.08023	2.9
224.04747	1.1
239.03452	2.5
240.04260	1.3
265.39792	1.1
267.03036	1.7
268.03787	76.5
269.04193	4.2
271.06027	1.7
283.06134	66.6
284.06479	4.1
332.08731	1.1
347.18594	2.8
369.09442	1.1
380.72476	1.0
387.10873	87.0
388.11301	8.0
399.71976	1.1
459.09421	9.0
685.28998	2.9
803.97894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
65.00338	0.8
71.31694	0.4
82.00658	0.4
93.03475	0.5
93.67759	0.4
96.96014	1.4
110.00098	2.5
117.03483	2.0
119.05032	1.1
126.60640	0.4
135.04514	0.5
136.98807	1.4
137.99602	0.6
154.06281	0.6
157.06570	0.5
161.02434	0.7
163.00343	0.9
164.98396	0.7
165.99083	3.2
167.04990	0.5
173.06104	0.7
177.22499	0.5
185.06032	0.9
193.08681	0.4
199.03998	0.7
200.04771	2.0
211.04042	1.2
213.05621	1.3
227.03488	1.8
228.04190	1.0
239.03516	3.7
240.04176	0.6
241.04907	1.0
255.02928	2.2
256.03714	1.0
267.03043	1.2
269.16827	0.3
283.02600	3.0
284.03296	43.0
285.04068	47.5
286.04294	2.0
297.04056	0.8
355.12045	2.5
369.09818	1.5
399.10828	0.7
405.63077	0.5
447.09363	100.0
448.09729	4.8
477.10489	0.8
640.61737	0.5
777.41589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29113	1.0
62.00065	1.0
65.00333	4.9
68.99827	1.8
71.40406	1.0
85.02942	1.2
92.99817	1.9
93.03465	1.6
99.70023	1.0
100.35782	1.0
101.18816	1.2
108.02187	1.4
111.00903	2.3
117.03485	4.1
120.29893	1.2
120.99304	1.2
121.02975	2.6
122.03788	9.8
123.04556	2.4
124.01649	5.0
132.02182	4.0
133.02954	4.5
134.03751	10.8
135.04541	5.5
136.01692	2.2
136.98811	10.1
137.02510	1.5
139.00380	2.5
146.03612	1.3
147.04527	1.5
149.02458	9.1
149.06091	2.2
150.03244	47.5
151.03758	1.3
152.01125	4.4
160.01668	18.2
161.02510	8.0
164.04712	2.7
164.98291	8.6
165.05569	29.8
173.06059	1.6
175.04022	23.1
178.02760	1.7
178.85260	1.2
179.03546	2.6
179.07202	1.7
180.00673	1.8
180.04311	2.7
181.04996	1.5
183.04517	7.8
185.02451	4.0
185.06056	1.3
193.05086	5.8
195.06664	9.6
211.04004	5.8
225.05469	1.9
226.02693	2.1
227.03622	2.6
227.06976	1.3
235.05959	1.3
239.03329	2.2
243.06596	13.8
247.12834	1.1
253.05156	5.5
255.03009	20.1
269.04587	12.2
270.04874	3.1
271.06137	43.3
272.06534	1.8
283.02502	100.0
284.03000	6.7
297.04010	12.8
298.04846	98.3
299.05194	4.3
311.05750	1.5
312.06442	7.4
313.07184	73.5
314.07635	2.0
323.07742	4.9
327.08722	8.8
337.09354	9.6
339.08853	1.3
355.08319	1.5
371.11487	1.6
400.85843	1.2
650.16400	3.9
651.17206	64.5
652.17981	5.4
705.18170	4.9
799.23126	5.4
799.39410	1.1
811.21960	3.1
829.23096	3.7
847.24719	12.7
848.24939	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	847.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01448	0.8
69.33187	1.3
69.33591	2.8
71.01413	0.9
82.08311	0.8
85.58662	0.8
93.03500	1.0
98.22654	1.2
108.02168	1.3
132.02200	1.3
133.02924	1.9
134.03735	2.9
138.46310	0.8
141.10326	0.9
160.01668	12.0
161.02451	1.8
167.03487	1.3
168.52420	0.9
175.04024	16.7
190.17465	0.8
193.05049	2.0
201.05582	2.7
257.15384	1.1
268.03717	1.1
273.18713	5.2
283.06235	1.9
285.03793	1.0
285.18600	3.6
300.02896	1.1
301.18057	1.5
303.19583	2.5
315.05038	3.0
317.17542	3.5
322.07178	1.0
323.07797	1.6
329.17462	2.6
337.09396	4.8
347.18652	100.0
348.19058	5.5
352.11710	1.2
459.32858	0.8
509.23978	13.9
518.14001	0.8
576.75745	0.9
685.28723	18.8
686.29065	1.5
687.74933	0.9
847.34058	30.9
848.33899	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	848.153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.0
63.02393	0.7
65.00331	0.8
66.30424	0.4
71.01382	2.1
75.00877	0.9
75.13983	0.3
81.03497	0.3
85.02954	2.9
87.00890	0.9
95.01416	0.9
99.00900	1.0
103.00385	0.5
107.01395	1.4
108.02207	1.3
109.03008	0.4
109.49982	0.3
110.00125	0.4
113.02458	2.6
116.12603	0.4
119.05048	0.6
121.03010	0.8
133.02968	4.4
138.01993	13.3
149.02455	1.2
151.00388	3.6
151.02730	0.6
164.98241	0.9
171.04517	0.5
175.02509	1.2
175.04044	1.5
180.03123	0.7
185.06258	0.6
199.04008	1.6
201.01941	0.6
213.05556	0.7
217.05048	1.3
229.04968	0.4
239.03496	0.5
241.05066	0.6
243.02869	0.5
257.04517	0.5
267.02969	0.5
285.04074	100.0
286.04434	3.8
286.75650	0.4
297.04123	0.4
327.05066	1.0
357.06281	1.0
461.07294	47.7
462.07565	2.7
598.44220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.5
79.95748	1.0
96.96023	0.5
119.05016	1.2
136.23691	0.4
151.97104	0.4
170.00511	1.0
183.01218	37.3
184.01848	1.2
197.02753	0.6
233.19318	0.5
238.32591	0.4
265.14771	0.8
297.15314	100.0
298.15646	5.1
348.76019	0.4
508.04028	0.5
760.29388	0.4
852.62671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.7
71.01397	8.6
71.51489	1.4
74.03120	1.5
85.02940	10.5
89.02476	2.5
95.01405	5.1
101.02444	2.3
113.02452	19.3
121.03042	1.6
123.00875	14.4
123.04531	2.1
124.01669	100.0
124.51143	1.3
125.01969	2.1
126.02048	1.3
135.04544	14.5
138.03233	6.0
139.04021	85.4
140.04349	1.9
163.04088	1.4
171.04526	1.4
179.85400	1.4
181.05156	1.5
192.15350	1.6
203.05598	4.0
253.08852	2.0
283.08316	3.5
315.10712	3.0
343.10382	10.1
406.35291	1.4
408.71344	1.8
461.16669	73.0
462.16913	3.4
744.36029	1.8
777.35785	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	850.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95934	0.3
79.95711	2.1
80.96510	0.3
84.59704	0.3
85.21738	0.2
90.44751	0.2
98.21869	0.4
103.89310	0.3
135.04572	0.4
147.49045	0.2
169.06618	0.9
170.07385	0.7
199.11275	2.5
233.02780	15.6
234.03545	7.3
235.03917	0.3
241.10703	0.2
248.05336	0.3
263.07486	100.0
264.07825	3.6
266.02621	1.7
279.75552	0.2
355.98700	0.3
624.68182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33190	1.5
98.22609	1.0
105.52882	0.8
109.96719	0.8
121.10262	1.1
152.53975	0.9
171.10316	3.0
195.13895	5.4
223.13438	6.0
223.59886	0.8
256.13141	1.2
275.20172	11.7
276.20401	0.9
293.21252	100.0
294.21555	3.6
310.21994	0.8
527.76001	0.9
716.31763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08905	3.9
79.08317	0.7
93.32772	0.6
94.15392	0.6
94.36552	0.6
96.95985	0.6
122.02486	0.6
125.09724	0.8
165.94556	0.6
171.10281	22.3
172.10657	0.6
208.87636	0.6
277.21753	27.6
278.22049	1.4
288.87711	0.7
295.22803	100.0
296.23175	3.1
549.67847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35636	0.8
69.13248	1.9
69.13656	4.0
98.21906	1.9
114.88451	0.8
117.03468	4.1
118.61372	0.8
130.20700	0.8
153.02029	1.2
154.04210	1.0
178.99843	2.7
213.88364	0.8
221.32129	0.9
226.02754	4.5
235.03908	1.0
238.02539	0.9
254.02264	1.9
269.04630	7.5
297.04056	76.2
298.04318	2.4
312.03015	1.4
312.06409	18.9
327.08737	100.0
328.09045	3.7
360.79990	1.0
407.04428	91.0
408.04669	3.5
704.91473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45323	0.6
69.43015	2.6
84.83960	0.6
85.77442	0.7
97.74684	0.7
117.03457	3.8
130.79811	0.7
146.02898	0.6
151.76929	0.7
153.01842	0.7
154.04240	2.0
177.67479	0.7
178.99918	1.9
192.38011	0.6
198.03226	0.9
226.02754	7.7
227.57088	0.7
238.02808	1.7
254.02264	3.9
258.01633	1.0
261.50903	0.7
266.02341	1.1
269.04581	9.6
297.04062	82.2
298.04501	1.3
312.06430	12.6
327.08759	78.4
328.09155	4.2
407.04456	100.0
408.04678	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	853.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35529	0.7
68.14800	0.8
69.69720	2.8
71.01394	3.8
73.02953	1.5
85.02957	2.0
97.51655	0.7
101.02448	1.6
110.94082	0.9
113.02448	0.8
135.04521	1.9
147.04456	0.8
148.05319	88.3
149.05647	1.8
161.04623	1.2
163.04024	16.9
163.07660	100.0
164.07993	1.8
178.06345	16.5
193.08717	23.9
203.05624	4.9
408.63202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96607	0.7
79.95739	0.9
88.74440	0.6
104.73029	0.7
120.49816	0.7
126.74950	0.6
131.04675	1.5
151.72217	0.6
153.57692	0.6
183.01218	15.7
184.01938	1.1
196.31696	0.8
197.02789	14.2
198.03606	3.8
247.48131	0.7
275.47812	0.7
293.21286	2.0
294.21561	3.0
295.21854	2.4
296.22189	0.8
297.15311	100.0
298.15598	3.4
321.27249	0.7
321.58096	0.9
390.11929	0.8
508.70187	0.8
542.96747	0.7
614.48987	0.7
680.50262	0.8
683.30096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44866	0.8
78.67873	0.7
107.34904	0.7
111.31709	0.7
113.02419	0.8
117.03454	5.5
153.01883	0.7
154.04213	2.7
175.03914	0.9
178.99849	2.9
185.02489	1.0
198.03168	1.7
226.02759	9.9
235.04021	1.3
238.02771	1.7
243.06583	2.1
254.02176	2.9
269.04535	9.2
271.06137	5.1
297.04044	93.5
298.04431	6.5
299.04385	1.0
312.03061	1.3
312.06454	18.5
312.10077	1.0
313.06732	0.8
327.08737	92.6
328.09131	8.0
407.04434	100.0
408.04694	7.0
409.04382	1.9
417.49484	0.9
447.09171	0.8
459.38190	0.8
575.36432	0.8
749.61047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00967	1.6
66.29536	1.8
67.85216	1.8
117.03455	4.7
121.57417	1.8
154.04306	3.7
178.99916	2.7
226.02676	6.7
227.66141	2.0
254.02312	2.6
269.04651	9.0
297.04068	86.0
298.04388	5.5
312.06311	15.7
327.08768	88.3
328.09052	7.3
345.09378	2.2
407.04434	100.0
408.04492	6.9
507.57785	2.1
827.00122	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	855.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01913	7.4
65.99858	73.4
108.00941	8.6
114.92213	6.4
133.01753	9.8
136.00421	16.7
150.90254	7.5
163.99887	12.2
166.01453	9.4
171.04553	8.1
175.99925	55.6
199.99980	11.2
203.99338	29.3
218.00926	9.2
219.59547	5.8
242.08269	23.5
246.00447	9.0
268.06125	49.1
269.04669	12.1
270.07706	44.8
280.06158	93.2
294.07739	8.3
296.05627	58.0
304.06140	8.2
308.05612	100.0
322.07242	17.8
324.04926	6.8
325.92706	6.5
332.05682	10.1
340.08173	24.7
348.05054	16.5
350.06839	43.1
360.05167	11.4
366.06143	13.1
376.04669	21.4
378.06192	25.8
406.05679	10.6
436.06961	16.0
657.11572	98.2
658.12103	8.9
675.12531	45.2
676.11938	7.5
689.14899	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	855.205
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01934	10.2
65.99853	65.9
69.09076	15.4
69.09502	19.9
71.47379	4.6
88.40180	5.7
107.04798	4.7
108.00931	9.8
108.64739	4.5
120.00928	7.0
122.02520	7.7
133.01819	6.3
136.00424	14.8
149.01189	5.2
151.02814	4.7
153.06024	4.2
163.99980	15.7
171.04572	14.0
174.01988	5.9
175.99895	62.9
177.69687	4.9
203.99438	16.3
213.05493	6.1
218.00977	8.9
240.06702	7.8
242.08276	31.6
246.00461	9.0
247.83780	5.0
252.06697	7.7
254.04782	5.7
268.06152	48.7
270.07788	45.2
280.06183	100.0
296.05612	56.1
296.08667	5.6
308.05634	87.7
308.08835	7.2
322.07214	19.5
332.05673	10.7
340.08301	29.1
348.04840	8.3
350.06601	58.4
366.06274	19.6
376.04666	16.6
378.06104	23.1
388.04572	7.9
406.05533	17.8
418.05521	7.8
436.06763	10.0
585.13342	7.6
657.11627	89.5
675.12677	49.1
689.14099	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02415	0.4
65.00330	0.8
68.35324	0.4
70.69004	0.7
71.01382	1.8
72.99324	0.4
75.00885	0.7
78.13493	0.4
79.25368	0.3
85.02955	3.3
87.00867	0.7
93.23730	0.5
95.01404	1.2
99.00891	1.6
103.00415	0.6
107.01399	1.1
113.02451	4.5
117.01967	0.7
119.05033	0.9
131.25597	0.4
133.02946	3.8
134.39992	0.4
136.98805	0.6
138.01399	0.4
149.02437	1.6
151.00410	2.4
171.04562	0.5
175.02501	1.6
175.04039	1.5
185.05975	0.5
187.04114	0.4
197.06152	0.5
199.04071	2.2
211.04057	0.4
213.05548	0.5
217.05074	1.0
239.03545	0.9
241.04903	0.6
255.03000	0.4
267.03015	0.7
270.02246	0.7
284.03345	0.5
285.04068	100.0
286.04440	4.9
319.62256	0.4
327.04987	1.0
357.06296	1.0
393.15814	2.6
461.07309	41.8
462.07611	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	855.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37258	1.5
70.08131	3.6
71.01376	2.2
73.02950	3.0
76.05603	1.4
82.96835	1.4
89.02446	1.9
96.95985	3.4
99.00891	4.5
101.02474	2.6
113.02428	2.9
116.92883	4.4
119.05048	3.5
145.03023	2.3
147.04527	2.8
148.05315	2.8
173.02614	1.8
174.03209	5.2
191.03511	2.3
191.07095	2.7
223.07675	1.7
239.07095	1.9
249.05502	2.5
250.06308	2.0
251.07138	7.4
259.15424	1.6
262.06546	2.0
263.07220	4.5
264.07980	4.9
267.06644	14.7
277.05020	1.9
279.06628	13.9
279.10291	4.4
282.08966	9.0
294.05389	4.6
294.09033	6.7
295.06110	3.2
309.07642	5.5
310.08389	2.3
322.08514	3.8
323.05569	8.8
323.09320	3.8
326.08011	2.5
337.06927	2.2
338.07968	17.8
341.10300	23.5
353.10306	100.0
354.10605	6.1
371.11520	9.1
779.68225	1.9
779.88818	1.6
781.26971	8.6
793.27679	7.9
811.28912	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	857.088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00304	0.7
79.95747	3.9
80.96520	0.8
82.00589	1.0
110.00104	9.5
111.00898	2.4
124.01681	0.6
125.02429	0.5
125.99591	0.3
128.52396	0.3
132.02209	0.4
134.03751	2.2
135.04538	3.8
136.98782	0.6
137.99605	4.2
139.00392	5.1
151.00389	0.5
153.01952	3.7
160.01672	0.4
161.02489	0.5
164.01147	0.5
164.98302	0.6
165.99078	12.0
170.03761	0.3
178.99876	0.6
181.01422	1.6
184.05228	0.3
187.04010	0.4
192.00719	0.7
200.04778	0.4
201.01886	0.6
210.03224	0.5
211.03976	0.5
212.04793	0.3
213.01903	0.5
214.02756	0.4
227.03601	0.6
228.04318	0.7
230.02278	0.4
238.02797	0.5
239.03500	0.5
255.03012	0.5
256.03619	1.4
271.02911	0.4
271.06177	0.7
272.03101	0.4
282.01749	0.6
283.02451	0.7
283.58902	0.3
298.01196	1.5
300.02759	45.7
301.03119	1.6
313.03647	2.8
315.05115	83.8
316.05420	3.3
392.99109	0.3
393.99768	0.3
395.00790	100.0
396.01035	3.3
464.96277	0.3
488.82321	0.3
495.20007	0.2
515.69977	0.3
523.76129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.236
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22785	0.3
65.00328	0.7
67.01871	0.4
67.47651	0.3
68.99823	0.4
71.01394	2.3
71.41476	0.3
72.99316	0.4
73.02915	0.4
75.00871	1.0
83.01411	0.7
85.02954	3.2
87.00864	0.4
89.02442	0.4
95.01401	2.3
96.95984	0.3
99.00887	1.2
101.02438	0.4
103.00410	0.4
107.90952	0.3
109.02968	0.4
110.00092	0.5
111.00893	9.3
113.01717	0.5
113.02469	6.0
117.01925	0.4
123.00891	2.2
125.02424	0.9
133.03000	0.5
135.04517	2.3
136.98824	1.0
137.02480	0.3
139.00386	9.6
143.05045	0.3
149.02451	0.7
151.00359	1.0
151.04007	0.3
157.06612	0.4
159.04552	0.8
161.02464	0.7
161.06062	0.4
164.98302	1.1
165.01961	0.6
166.99867	5.1
171.04584	0.4
174.97444	0.3
175.02502	2.6
175.03937	0.5
177.01900	1.6
183.04535	0.3
185.06073	0.4
187.04041	0.9
189.05571	0.8
192.00633	0.6
201.01941	0.3
201.05536	1.2
211.04005	1.2
215.03508	1.1
227.03639	0.8
229.04987	0.5
233.04568	0.8
237.01956	0.3
239.03540	1.0
241.01447	0.3
242.02254	0.4
255.03067	1.1
257.04642	0.3
259.02332	0.4
273.04019	0.6
283.02496	1.1
284.03455	0.6
285.04086	0.4
299.02188	0.6
299.05554	1.2
301.03552	100.0
302.03891	3.0
343.04465	1.6
373.05603	1.3
379.01190	0.8
380.01624	0.3
397.05524	0.7
436.60471	0.4
475.18301	0.5
476.18640	0.4
477.06784	19.3
478.07303	1.0
536.91089	0.3
683.80695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68690	1.4
71.01393	3.8
71.41592	1.1
72.99323	2.8
85.02954	8.1
85.44319	1.1
93.03473	1.6
95.01390	6.7
99.00912	3.1
111.00893	3.8
113.02454	16.2
113.03160	1.6
116.68018	1.1
119.05040	23.0
122.20686	1.2
123.00890	2.9
134.65739	1.2
136.98817	4.5
137.02466	1.2
137.34456	1.2
139.00375	14.4
146.22321	1.3
153.01953	25.2
164.98271	1.4
166.99879	23.5
172.05302	1.4
175.02502	14.1
181.01440	12.6
193.01424	1.8
231.58945	1.4
259.06055	2.8
269.04605	4.6
285.04111	8.2
286.04419	1.9
287.05630	100.0
288.05951	3.4
393.15601	3.0
406.43271	1.4
461.07635	1.8
463.08871	55.1
464.08832	3.5
566.45105	1.3
640.84302	1.4
833.35931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	0.4
63.83289	0.4
69.31669	0.3
71.42944	0.4
79.95702	0.4
80.07914	0.4
87.09869	0.3
96.96011	1.5
132.57748	0.4
148.05431	0.5
183.01221	5.7
184.02017	1.0
197.02792	14.4
198.03566	3.5
199.09801	1.0
211.04395	0.5
214.37962	0.4
230.02618	1.4
243.73799	0.5
265.14761	1.9
277.21628	0.7
311.16898	100.0
312.17218	3.6
325.18518	0.8
538.73389	0.4
757.81360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21785	0.2
65.00312	0.4
67.01909	0.3
68.99800	0.2
83.01376	0.4
95.01395	0.9
98.22686	0.8
99.00882	0.3
107.01416	0.3
108.55943	0.2
110.00156	0.3
111.00167	0.4
111.00893	6.6
116.29976	0.2
119.57688	0.2
123.00897	1.7
125.02436	0.9
125.82864	0.2
133.02957	0.7
133.46634	0.2
135.04524	2.4
136.98787	1.2
138.99309	0.5
139.00381	8.3
149.02438	0.7
151.00377	1.4
159.04485	0.3
161.02469	0.6
161.06085	0.2
164.98305	1.0
165.01865	0.3
165.99095	0.3
166.99881	4.3
171.04538	0.3
175.03964	0.3
177.01926	1.4
178.99875	0.3
183.04633	0.4
185.02513	0.3
185.06102	0.4
187.04008	0.8
189.05571	0.5
192.00676	0.5
193.01373	0.4
195.04561	0.4
199.04192	0.2
201.01968	0.6
201.05571	1.2
203.03606	0.2
211.04016	1.0
214.02577	0.2
215.03522	0.9
227.03493	0.6
227.83792	0.2
229.05058	0.8
229.18390	0.2
233.04546	1.0
239.03545	1.1
241.01450	0.5
245.04622	0.3
255.02942	1.2
257.04459	0.3
259.02393	0.8
283.02524	1.1
285.03922	0.2
287.05493	0.3
299.01968	1.0
300.02411	0.5
301.03546	100.0
302.03909	4.7
378.97546	0.3
380.99234	46.8
381.99612	2.4
511.55939	0.2
547.90033	0.2
675.78143	0.2
685.44104	0.3
762.52942	0.2
765.31134	0.3
822.71832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	0.6
69.24106	3.5
76.33482	0.7
79.95741	3.6
82.00627	0.9
88.54645	0.5
89.09669	0.6
96.75801	0.7
98.22658	1.3
110.00108	9.6
111.00889	2.9
123.00892	0.9
132.02074	0.6
134.03766	1.4
135.04558	3.4
137.99586	4.0
139.00349	4.2
153.01955	3.3
164.01216	0.7
165.99075	12.1
181.01534	1.6
196.22607	0.6
211.04012	1.0
213.02000	0.6
216.04239	0.8
227.03558	1.4
228.04362	1.1
239.03613	1.1
256.03763	1.3
264.43765	0.7
283.02570	1.4
284.03174	2.9
298.01175	1.9
299.05716	3.5
300.02783	41.3
301.03125	1.9
313.03436	2.2
313.06812	0.7
315.05136	78.4
316.05508	2.6
340.84375	0.6
395.00793	100.0
396.01120	4.1
397.00745	0.9
688.03931	0.7
735.86609	0.7
868.35034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99658	0.7
65.46368	0.7
69.41982	1.0
69.42318	2.7
79.95747	4.2
88.98795	1.1
96.96027	0.9
98.22727	1.2
110.00106	11.2
111.00889	3.0
118.03645	0.6
133.03015	0.8
134.03754	1.9
135.04527	3.1
137.99620	4.6
139.00381	5.5
153.01929	3.7
163.00697	0.7
164.98305	1.1
165.47977	0.7
165.99077	11.9
178.33127	0.7
181.01456	1.3
186.03236	0.8
201.02016	0.9
214.02687	0.9
220.06221	0.8
227.03531	1.0
239.03555	0.8
256.03516	0.9
271.06119	0.9
283.02515	1.9
284.03186	2.2
285.03888	0.7
298.01129	2.0
298.04581	1.4
299.05505	2.1
300.02756	44.7
301.03107	1.6
311.07651	1.2
313.03525	2.7
313.07224	3.4
314.07495	1.2
315.05115	77.6
316.05450	2.9
393.03116	1.1
395.00787	100.0
396.00995	3.9
586.40247	0.9
692.61267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	2.2
79.95755	1.5
82.00593	1.1
89.75961	1.0
96.96008	1.4
108.02190	2.9
110.00112	19.7
111.00940	1.9
117.03457	3.1
119.05030	2.9
123.04529	2.4
134.03716	1.2
135.04539	2.7
137.99612	12.1
139.00389	3.1
146.03754	1.1
152.01146	3.9
153.01921	5.2
161.02443	4.3
164.01155	1.9
164.98216	1.7
165.99078	20.9
166.00398	2.0
167.03474	5.8
181.01430	1.7
183.04489	1.1
187.03848	1.2
211.03957	1.2
212.04776	4.3
214.02693	2.1
227.03464	1.0
237.64182	1.1
239.03470	1.3
255.03000	1.4
267.02927	1.1
283.02402	3.9
284.03262	63.3
285.03851	6.2
298.04553	1.4
299.05618	100.0
300.02701	23.2
300.05991	5.8
301.03088	6.6
302.03326	2.6
313.03366	1.2
315.05142	35.6
316.05435	11.3
317.05597	7.5
341.06812	1.8
395.00803	37.9
396.01093	16.0
397.00775	24.1
398.00760	1.8
503.11960	2.2
552.16693	1.0
573.69550	1.3
611.14050	30.3
612.14264	3.1
815.20343	14.0
816.21271	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	859.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01902	0.4
71.01389	2.7
73.02953	9.3
75.40218	0.2
80.72030	0.2
83.01414	1.5
83.38163	0.3
85.02962	0.4
90.40092	0.2
95.01437	0.5
99.00898	0.5
99.66843	0.2
101.02457	3.7
108.02214	0.2
113.02460	0.5
113.20386	0.3
120.02142	0.3
123.00899	5.2
125.02490	0.5
135.04543	0.9
136.01674	3.4
137.02483	0.5
140.94481	0.3
143.03551	0.4
149.02415	0.4
151.00386	53.5
151.03981	3.9
152.00722	0.8
155.03522	0.5
161.04634	0.3
163.04071	0.4
165.01933	1.9
165.05568	0.5
166.02730	85.3
167.03067	1.3
173.02446	0.3
176.01161	0.5
181.05081	100.0
182.05402	2.1
191.03525	1.3
193.05040	0.2
196.07365	0.2
203.05638	0.6
203.07271	0.5
211.09769	0.4
214.51875	0.3
223.06152	0.5
265.07150	0.3
387.16595	0.4
583.59137	0.2
648.69971	0.2
657.55200	0.2
787.98761	0.3
827.21729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34902	0.4
69.03459	1.0
70.72598	0.4
71.01386	17.0
71.21291	0.4
72.99313	27.8
73.02950	11.8
79.97460	0.4
83.01379	1.6
85.02958	21.4
89.02451	8.6
95.01386	4.8
99.00891	1.0
101.02449	8.4
103.00379	9.6
105.93102	0.4
113.02460	31.2
114.02814	0.5
115.00335	0.6
129.01961	1.0
131.03514	8.8
133.01422	2.7
149.04608	0.5
157.01450	2.2
163.02486	1.7
175.02521	3.0
193.03545	100.0
194.03880	1.8
334.08289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08173	0.9
69.09512	6.7
71.01398	1.2
85.02935	1.1
93.03466	1.2
95.31984	0.8
101.02454	1.2
117.03442	2.6
119.05054	1.6
121.02969	12.0
122.03778	5.7
130.86717	0.9
132.02217	2.3
133.02890	1.0
134.03758	68.2
135.04436	1.5
136.01668	1.3
137.02441	3.4
139.04082	1.1
147.87889	0.9
149.02457	15.4
149.06081	13.2
150.03241	40.8
160.01672	8.2
164.04825	3.1
165.05582	35.6
175.04022	14.7
178.02742	20.7
179.03064	1.2
180.04324	2.9
193.05081	100.0
194.05417	2.6
195.06641	23.3
239.07188	2.9
250.06360	3.2
251.06943	1.0
252.07642	1.1
267.06662	2.1
282.08957	8.4
285.04044	1.3
329.13080	1.0
341.10318	36.1
342.10611	2.5
371.11414	4.9
389.12451	27.0
390.12531	1.2
403.13950	2.5
425.14539	1.3
455.15561	1.4
619.20367	11.1
815.27649	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	7.7
65.06187	0.4
69.04551	1.7
69.04965	0.8
74.99805	0.4
82.00594	1.8
86.06105	0.4
92.99833	2.0
95.01350	0.4
96.99308	2.3
98.63296	0.4
104.92471	0.4
108.99330	0.5
110.00106	21.4
111.00893	0.6
113.02425	0.8
120.99283	1.6
122.00089	0.5
123.00895	1.9
128.08278	0.6
136.21886	0.4
136.98828	8.9
137.99602	6.4
139.00343	0.7
151.00392	0.6
164.98309	22.6
165.99084	18.1
169.06578	0.7
171.04520	1.1
173.06099	1.1
177.99075	0.8
178.99850	1.2
181.06622	0.9
183.04515	0.4
185.06161	0.5
197.06062	0.8
199.04007	1.3
201.05595	0.5
213.05589	1.5
214.06387	0.7
225.05545	1.2
227.03407	1.1
227.07237	0.8
241.05081	7.9
242.05730	1.5
243.06604	2.4
247.09491	0.3
253.05144	0.8
269.04565	62.7
270.05322	23.7
271.06113	7.6
285.04092	5.3
292.09634	0.6
301.03571	3.5
302.03955	1.7
338.10342	5.0
356.11588	0.5
380.12473	2.7
380.99246	1.8
381.99603	0.9
383.97067	0.4
398.13583	100.0
399.13925	4.2
433.68948	0.4
461.07248	1.4
537.57147	0.4
763.50714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21702	0.5
65.00329	8.7
69.14385	3.6
72.99290	0.6
82.00597	2.5
85.02961	0.5
86.06120	0.8
92.99815	1.6
95.01404	1.2
95.76157	0.5
96.99314	2.3
110.00109	24.6
111.00882	1.0
113.02454	1.0
119.04948	0.6
120.99290	1.8
123.00882	2.0
136.01639	0.5
136.98813	11.0
137.99609	8.8
139.00357	2.4
149.99548	0.5
151.00310	0.9
152.01117	0.9
153.01743	0.5
164.98302	22.1
165.99083	20.3
166.99739	0.8
169.06580	1.8
171.04550	2.4
173.06015	0.7
177.01912	0.6
177.99138	0.8
178.99847	1.6
181.06581	2.0
183.08159	0.7
185.06033	0.6
197.06125	1.3
199.04013	2.4
201.05617	0.8
213.05600	2.3
214.06339	1.8
225.05559	1.9
227.03445	1.0
227.07130	1.2
234.04181	0.6
241.05075	15.1
242.05835	1.0
243.06610	4.1
269.04562	90.2
270.05313	35.4
271.06100	15.2
285.04059	14.3
301.03564	3.9
302.03867	2.2
338.10284	5.4
356.11664	0.9
380.12497	2.2
380.99298	1.5
381.99469	1.1
398.13574	100.0
399.13977	3.6
442.74640	0.6
461.07443	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	861.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89076	0.3
65.00337	0.4
67.01888	0.4
83.01395	0.7
91.49154	0.2
95.01396	1.3
111.00165	0.5
111.00894	6.8
121.02969	0.4
123.00914	1.6
125.02483	0.7
131.76956	0.2
133.02994	0.6
134.03769	0.6
135.04544	2.0
136.98804	1.0
137.02411	0.3
139.00397	7.1
149.02469	0.7
151.00378	1.0
159.04547	0.4
161.02510	0.4
164.98329	0.8
165.01999	0.3
165.99084	0.4
166.99879	4.1
168.59312	0.2
171.04497	0.5
173.06158	0.3
177.01901	1.8
178.99928	0.3
181.01564	0.3
183.04536	0.7
185.06108	0.3
185.53204	0.2
187.04004	0.8
189.05553	0.3
192.00659	0.3
193.01442	0.4
201.01979	0.4
201.05612	1.1
203.03513	0.6
211.03964	1.3
214.02768	0.3
215.03543	0.8
227.03586	0.9
229.05096	0.6
233.04599	0.9
239.03532	1.1
241.01355	0.3
255.03053	0.9
257.04492	0.6
259.02502	0.5
268.06274	0.3
270.07773	2.7
273.04166	0.4
283.02460	0.8
287.05661	0.8
301.03558	100.0
302.03915	4.9
303.04123	1.3
380.99246	42.1
381.99667	2.1
382.99435	1.2
397.15390	0.3
463.09253	0.5
846.95245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62090	0.3
65.00327	1.0
69.34859	1.7
71.01390	2.2
72.99316	0.5
75.00871	1.1
75.07188	0.3
80.11703	0.3
85.02956	4.5
87.00876	0.9
89.02449	0.4
95.01374	1.6
96.96037	0.4
98.21877	0.3
99.00906	1.7
101.02474	0.4
103.00391	0.9
106.54234	0.3
110.61645	0.3
110.62569	0.3
111.00886	0.4
113.02468	10.9
115.00338	0.4
117.01980	0.5
117.03471	2.2
119.05064	1.7
123.00912	0.5
129.01987	0.4
133.02962	1.1
136.98831	1.6
137.02525	0.5
138.01991	0.4
139.00391	0.9
139.63655	0.3
141.27769	0.3
151.00401	0.7
157.06590	0.6
161.02530	0.4
164.98314	1.2
165.99080	0.4
166.99915	0.6
167.05035	0.6
171.04538	0.6
173.06058	0.4
175.02530	6.5
175.03960	0.5
183.04596	0.5
185.06114	1.5
199.03932	0.7
210.69023	0.3
211.04066	1.3
213.05629	1.6
217.05066	0.3
229.04918	0.4
239.03525	2.0
241.05112	0.8
243.19241	0.3
255.02916	0.5
267.02948	1.3
283.02502	1.2
284.03143	0.5
285.04077	100.0
286.04428	4.0
311.09293	0.4
327.05225	0.4
355.11868	2.4
357.06128	0.4
399.10858	1.0
461.07312	23.3
462.07544	1.1
660.71051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	1.5
69.52261	2.6
69.52629	4.8
71.01396	3.7
76.02908	1.2
85.02982	3.6
89.52544	1.3
92.87138	1.4
95.01438	1.4
96.96020	5.0
98.22641	2.8
111.87615	1.2
113.02448	4.1
117.03471	3.2
119.05042	2.9
135.04596	1.8
146.43996	1.3
175.02534	3.0
185.06024	2.6
187.04053	2.2
211.03978	1.9
213.05721	2.3
239.03488	2.7
241.05060	2.9
257.04608	1.6
258.25192	1.3
283.02487	3.9
284.03241	2.6
285.04077	100.0
286.04431	4.0
355.11826	5.6
359.34076	1.5
381.18939	1.7
461.07120	61.8
462.07556	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	862.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	0.4
64.99979	0.5
65.00324	10.1
66.00654	0.5
68.99826	0.5
70.71691	0.4
71.01389	0.3
72.99300	0.7
82.00602	2.2
83.01402	0.4
85.02996	0.5
86.06129	0.6
87.00917	0.3
92.99837	2.2
95.01389	0.8
96.99310	2.9
104.89746	0.3
108.99329	0.7
110.00107	23.8
111.00339	0.5
111.00981	0.5
113.02460	1.0
119.05061	1.2
120.99339	1.4
123.00921	2.1
124.01660	0.4
124.98836	0.3
128.08315	0.7
135.04498	0.3
136.01649	0.5
136.98816	11.2
137.99625	7.3
139.00452	1.3
141.07143	0.4
141.99088	0.4
145.06641	0.4
149.99573	0.7
151.00375	0.9
151.63676	0.3
152.01167	0.6
153.01897	0.9
157.06575	0.4
164.07115	0.4
164.98302	29.8
165.99081	23.3
166.99809	1.4
169.06613	0.7
171.04521	0.9
173.06100	0.5
175.02423	0.9
177.99055	1.3
178.99910	1.9
181.01414	0.6
181.06613	1.0
183.04495	0.3
185.05997	0.6
191.03500	0.3
193.01465	0.4
197.06085	0.7
199.03973	1.5
200.04301	0.3
201.05701	0.4
206.08289	0.4
213.05565	1.8
214.06339	1.3
225.05586	1.4
227.03473	0.8
227.07202	1.0
230.45377	0.3
234.04108	0.5
241.05078	7.4
242.05754	2.1
243.06657	3.1
244.06821	0.3
246.05330	0.3
253.05093	0.5
254.05658	0.3
269.04559	92.6
270.05255	42.7
270.11331	0.4
271.06006	14.2
272.06177	1.8
285.04001	2.0
286.04422	0.8
287.05627	4.5
292.09671	0.6
293.08258	0.3
297.07745	0.4
301.03546	2.6
302.03824	1.3
310.10788	0.4
338.10352	6.0
339.10651	0.9
340.10983	0.2
356.11496	0.7
380.12631	1.7
380.99265	0.8
381.12823	0.3
398.13571	100.0
399.13879	12.1
400.14172	5.2
463.08911	2.4
714.75580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	9.2
68.99825	0.6
71.01376	0.5
72.99314	0.6
82.00617	2.8
85.02950	0.7
86.06098	0.6
92.99815	1.6
95.01407	1.2
96.99318	1.8
98.22700	0.8
99.00882	0.6
108.99315	0.8
110.00102	24.9
111.00882	1.3
113.02480	2.7
119.05054	2.6
120.99323	1.2
123.00901	2.0
124.01658	0.9
128.08383	0.5
128.25270	0.4
136.98814	9.4
137.99594	8.7
138.15849	0.4
139.00371	2.5
141.99072	0.4
149.99533	0.8
151.00426	0.5
152.01212	1.0
153.01970	2.6
164.98311	23.4
165.99086	21.6
166.99878	2.8
169.06621	1.2
171.04536	1.2
171.18909	0.3
173.06012	0.6
175.02477	2.5
177.99083	1.0
178.99858	1.2
181.01457	1.0
181.06631	1.1
183.04485	0.6
185.06050	0.7
193.01486	0.9
193.03343	0.5
197.06020	0.9
199.04060	1.1
201.05571	0.6
205.41010	0.4
213.05598	1.5
214.06296	1.2
225.05621	1.1
227.03514	1.4
227.07143	0.9
228.98495	0.5
241.05067	8.6
242.05840	1.8
243.06607	3.0
253.04982	0.5
259.06070	0.4
269.04565	74.5
270.05322	34.8
271.06116	16.3
272.06488	0.8
277.05399	0.4
285.12192	0.4
287.05634	13.9
288.05966	0.8
301.03549	3.1
302.03799	2.6
303.04092	1.1
320.09158	0.5
338.10336	4.1
345.86188	0.4
352.12827	0.5
356.11359	0.6
380.12445	1.3
380.99240	0.6
381.99387	0.7
382.99094	1.3
383.99103	0.7
397.10486	0.5
398.13586	100.0
399.13910	5.4
463.08838	10.2
463.15155	0.7
464.08832	0.6
557.72131	0.4
612.73224	0.4
790.28864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	6.7
70.20544	0.4
72.99313	0.6
77.16621	0.4
82.00609	1.7
85.02971	0.7
86.06099	0.4
92.99825	1.4
95.01400	1.0
96.99313	1.7
106.32070	0.4
110.00108	21.6
111.00868	1.4
113.02456	1.7
119.05023	1.9
120.99342	1.2
123.00867	1.4
124.01688	0.5
128.08272	0.9
136.98822	7.5
137.99603	7.2
139.00418	2.1
152.01225	0.6
153.01981	2.3
164.07153	1.1
164.98308	22.7
165.99091	20.3
166.00551	0.5
166.99837	2.2
169.06625	0.9
171.04599	0.7
173.06046	0.7
175.02525	1.1
177.99065	1.1
178.99875	1.4
181.01515	1.2
181.06548	0.8
197.06128	0.8
199.03996	1.4
201.05656	0.6
209.06142	0.5
213.05591	1.4
214.06386	1.2
215.07146	0.8
225.05536	1.6
227.03609	0.8
227.07143	0.9
241.05096	7.1
242.05925	2.1
243.06657	3.4
246.05254	0.5
252.15814	0.4
253.05110	0.7
269.04578	72.1
270.05322	37.4
271.06110	13.4
272.06287	0.8
285.04077	0.7
287.05655	8.0
301.03528	4.7
302.03851	1.9
338.10361	5.5
344.11536	0.8
356.11475	0.7
380.12579	1.4
380.99307	2.2
381.99332	0.6
382.99396	0.6
385.56223	0.4
388.10480	2.2
398.13596	100.0
399.13919	7.7
400.14139	2.1
463.08847	6.5
503.76392	0.5
503.83759	0.5
505.72998	0.4
668.27600	0.5
679.88440	0.5
763.53064	0.4
851.37701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.9
68.34493	0.5
79.95750	1.6
87.78239	0.5
88.32335	0.4
95.95233	0.7
96.96017	68.0
109.89153	0.4
125.55214	0.4
139.47386	0.4
162.79657	0.4
228.96048	0.4
265.14804	100.0
266.15137	2.9
304.77158	0.4
311.16837	1.3
558.65710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59814	0.6
71.01382	3.7
72.99310	1.5
73.02953	1.4
78.91887	0.9
79.95744	29.1
80.96532	7.0
85.02956	3.4
85.77658	0.6
87.00896	1.9
89.02455	1.4
95.01379	0.8
96.96020	100.0
98.21855	2.0
101.02458	1.9
107.25048	0.7
110.97573	3.8
113.02484	5.3
117.03454	1.3
118.18344	0.6
122.97568	1.4
131.03516	0.9
132.02214	3.0
133.02945	1.5
134.03755	14.4
136.98997	0.6
137.02470	1.2
137.96283	1.4
138.97078	3.0
149.06023	0.7
150.97078	4.3
152.98692	0.8
160.01675	11.5
161.02388	2.0
164.98615	0.8
168.98291	0.6
175.04021	12.7
175.54842	0.6
179.03394	0.6
191.21848	0.6
193.05087	6.3
194.99658	1.9
209.01253	1.9
210.99194	21.0
215.52112	0.5
215.61058	0.7
219.05045	1.3
241.00203	1.1
269.04352	1.0
297.03940	2.8
327.08850	2.9
357.05069	3.0
357.08810	0.6
407.04568	3.0
484.84610	0.7
657.10046	0.7
687.17786	0.8
807.49463	0.7
863.22906	68.3
864.23389	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	863.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53867	0.1
69.55569	0.4
71.01392	2.2
73.02961	1.1
83.01405	0.4
85.02962	1.1
85.73460	0.1
89.02445	0.5
92.05836	0.1
97.02985	0.1
98.22689	0.2
99.00891	0.4
101.02463	1.0
107.05035	0.1
113.02447	0.6
114.73849	0.1
135.04541	8.2
136.04861	0.3
137.02309	0.1
151.03963	0.2
151.98969	0.1
161.04559	0.4
163.04024	75.9
164.04337	2.1
168.76031	0.1
177.05559	0.2
178.06367	70.1
179.06691	2.3
189.57222	0.1
191.42708	0.1
193.08708	100.0
194.09033	3.2
289.16589	1.3
290.62277	0.1
293.08588	0.2
397.14938	0.2
421.20856	5.4
422.21005	0.3
539.70667	0.1
548.53375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21518	1.0
65.00326	8.9
65.99837	1.7
68.99816	1.3
69.88127	1.7
69.88445	2.1
81.03450	4.4
83.01389	1.3
95.01372	3.0
96.00910	1.2
96.99314	2.0
97.02940	3.3
98.02460	3.9
99.00892	3.3
105.03452	1.9
108.02172	2.2
109.02953	1.5
110.02471	2.4
111.00876	3.7
123.00860	1.2
123.04535	57.3
124.01673	3.0
131.96593	0.9
134.01546	1.1
135.03264	1.4
136.00325	1.7
136.98830	8.5
137.06084	1.1
138.02014	1.5
139.00316	1.6
149.02454	4.8
151.02719	1.8
152.01135	3.1
164.98297	9.4
165.00659	2.3
166.05099	24.6
168.06654	1.4
169.06537	1.8
171.04495	3.9
173.05995	1.5
191.04660	1.1
192.03020	1.8
194.04640	1.8
195.03024	1.4
199.04008	1.4
209.05919	1.4
212.05565	1.1
213.05669	1.1
225.05688	2.0
226.08794	1.5
228.06767	1.2
237.09116	1.4
241.05061	13.5
242.08203	15.0
243.06612	15.5
253.04980	1.1
255.06822	1.2
264.10223	2.7
268.06146	2.8
269.04547	42.3
270.04874	2.4
270.07697	25.3
271.06107	20.6
272.06390	2.0
278.04608	2.1
278.07791	1.0
307.10861	1.8
336.08844	1.1
362.25873	1.1
382.10785	1.8
398.14001	1.8
402.09824	2.2
428.07217	1.6
458.10809	1.1
506.16150	2.1
549.16711	100.0
550.17139	9.9
578.14612	2.7
595.17255	47.5
596.17419	3.6
645.97919	1.1
865.23566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33246	4.3
65.00352	8.5
69.03455	4.3
69.32642	20.1
71.01383	25.8
73.02950	5.1
74.37983	3.6
85.02967	8.0
87.00877	4.3
89.02467	11.1
93.03476	17.4
96.96004	6.8
101.02454	15.2
108.02218	4.2
109.02906	4.8
113.02487	8.3
117.03478	100.0
119.03542	5.0
119.05028	5.5
125.02397	3.9
135.00916	5.7
135.04568	9.8
136.98849	7.4
147.04619	3.8
148.05403	4.7
149.02448	9.9
159.04517	10.2
161.02438	7.4
163.04166	4.5
164.04799	11.1
183.04539	15.3
185.02495	6.6
190.02762	8.8
199.04095	5.9
200.04758	6.9
201.05511	5.0
205.05011	8.0
223.06157	20.4
227.03586	16.6
231.13870	5.9
250.06377	6.9
255.03014	68.5
259.13348	8.6
277.14438	18.1
304.94876	4.0
305.13971	6.1
311.12955	7.7
329.14001	12.7
363.88290	4.1
377.17737	9.2
387.15976	11.9
403.15308	5.1
405.17102	26.8
449.16138	7.3
570.88397	4.8
703.29175	19.1
727.27795	13.8
793.32184	9.1
803.31256	7.1
819.30383	25.3
821.32532	10.9
847.30420	92.7
848.31769	7.2
865.31165	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98852	3.4
65.00330	7.2
67.01881	4.0
71.01392	26.4
71.37341	2.8
71.42300	2.7
72.88541	2.6
72.99323	3.2
73.02937	5.7
82.57847	3.0
83.01409	7.0
85.02966	6.8
87.00887	5.2
89.02441	16.5
93.03468	10.5
95.01401	3.6
97.02932	4.4
97.06606	3.2
99.00945	4.0
101.02439	17.1
101.92983	2.5
106.12960	2.8
108.02188	4.0
109.02979	3.8
110.00100	3.1
113.02454	8.2
117.02654	5.5
117.03481	100.0
119.03539	4.1
119.05130	3.9
122.03775	4.4
125.02464	6.4
135.00914	12.2
135.04532	11.7
136.01613	3.8
136.98837	7.1
137.02440	4.8
145.03015	3.4
152.99617	3.9
156.98598	2.9
159.04536	11.4
161.02438	8.1
163.00479	3.6
171.04570	3.8
175.11299	3.9
183.04515	11.6
185.02495	7.2
187.03972	4.1
193.12308	4.9
199.04005	4.7
200.04828	4.0
201.05579	13.5
215.14426	10.0
217.12372	4.0
221.06477	5.3
226.04851	3.1
227.03485	19.0
228.04381	4.9
229.05072	6.2
235.13501	3.3
239.03430	3.5
240.04323	3.2
250.06255	5.0
255.03018	98.6
259.13400	14.4
275.07288	6.6
277.14481	21.6
283.02670	3.7
284.03430	6.7
287.12909	11.4
305.13867	8.0
377.17477	3.7
387.15967	9.9
403.15518	8.6
405.17078	32.1
421.16467	9.6
431.14853	3.3
449.15961	5.2
477.14105	3.6
642.73773	3.6
675.27924	4.4
685.26367	4.0
703.28229	38.1
803.31110	10.0
819.31000	37.3
847.30322	86.2
848.31110	7.0
865.31415	85.8
866.32220	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	866.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25136	1.4
69.24268	3.1
69.24657	4.9
71.01389	65.4
72.99323	2.0
73.02952	22.6
83.01409	8.9
85.02959	38.3
86.28825	1.5
87.00889	2.6
89.02458	7.3
95.01400	9.8
97.02951	4.3
98.22610	3.5
99.00882	9.4
101.02452	35.4
110.07031	1.7
111.00906	8.8
111.63940	1.7
111.99603	4.9
113.02454	43.5
119.03474	1.7
125.02458	3.9
134.03879	1.9
135.04561	4.3
136.98811	2.1
139.00394	10.4
142.00658	5.1
143.03546	5.2
143.98718	1.5
159.02982	3.6
161.04576	32.1
164.98303	1.6
166.99861	4.2
175.02496	3.7
175.88182	1.4
177.01939	1.8
191.30193	1.6
203.05605	3.4
221.78574	2.1
269.04556	5.7
286.04959	16.1
290.31393	1.8
297.00525	3.3
299.02087	8.9
301.03561	100.0
302.03918	6.1
304.02826	3.1
304.05994	39.8
346.07004	99.1
347.07050	2.1
370.09335	3.8
403.31836	1.7
436.76324	1.7
475.18335	35.0
477.06650	16.2
506.17328	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	866.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99654	2.9
71.01383	58.8
71.05021	14.7
73.02945	5.3
77.34401	3.2
83.12413	2.7
85.02949	10.5
87.00877	18.1
88.03524	6.8
88.04049	97.2
89.02460	38.4
95.01401	4.2
99.04527	7.9
101.02455	33.2
113.02456	26.8
116.07161	4.5
119.03497	8.9
125.02498	7.6
133.25711	3.7
138.90356	3.4
143.03531	7.2
146.08249	46.0
161.04590	8.1
179.05620	17.8
203.05615	5.7
218.10341	100.0
221.06607	9.2
235.08203	3.7
341.10855	9.2
364.44324	3.5
365.10947	3.9
383.11935	28.7
485.15027	5.9
647.20618	43.6
665.21436	55.4
666.21649	5.3
719.22778	10.8
790.71991	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	867.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58456	1.3
82.14392	0.4
91.34513	0.5
93.39232	0.4
96.96038	0.6
100.74879	0.4
117.03452	5.3
117.04155	0.4
121.11629	0.4
153.01971	1.0
154.04239	2.2
178.99904	2.2
185.02493	0.5
186.81432	0.4
198.03194	1.4
226.02731	8.6
235.04173	0.9
238.02754	1.2
254.02205	4.4
258.01755	0.9
269.04529	10.8
270.05038	0.5
283.06247	0.8
297.04053	85.7
298.04468	2.9
311.05621	0.8
312.06415	14.9
313.06866	0.5
327.08752	89.4
328.09079	4.6
407.04425	100.0
408.04709	4.8
447.21591	0.5
477.65289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	20.2
73.02949	10.8
83.01421	4.2
85.02962	14.2
89.02448	5.6
97.02985	4.0
98.21917	9.3
101.02443	12.1
113.02458	11.8
120.92766	3.8
202.82289	3.1
226.64211	3.5
285.03949	11.6
285.11792	4.1
312.37909	3.7
333.20688	12.9
379.17438	3.6
417.22568	3.7
477.24988	100.0
478.25333	8.0
495.26016	15.4
537.27136	86.8
538.27411	5.3
615.54248	3.6
632.41968	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	867.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	1.9
69.41788	8.2
69.42149	3.4
69.89045	1.6
71.01382	9.3
73.02922	2.6
79.95766	1.6
83.01369	3.6
85.02952	3.4
86.02498	1.6
89.02441	6.4
90.06364	1.7
91.69697	1.5
93.03481	11.3
95.01399	2.6
95.77325	1.5
96.95982	3.1
98.21908	2.0
101.02444	8.7
109.02934	2.4
113.02473	2.8
117.03478	46.6
119.03526	2.1
119.04993	4.1
125.02443	1.8
135.04535	5.3
137.02467	4.0
143.04619	1.8
145.02939	4.0
159.04564	4.0
161.02434	4.9
185.06107	2.3
201.05582	2.7
213.05647	2.7
221.06598	1.7
221.11922	2.2
227.07085	2.7
229.05029	3.0
241.05075	3.6
243.13971	1.8
245.11618	1.9
255.06642	2.9
255.77824	2.2
257.04593	7.9
263.12711	3.1
267.06665	3.8
271.13174	2.1
285.03931	2.4
286.04184	2.5
289.14563	3.3
363.15979	2.3
395.14926	2.9
405.17169	3.4
407.14926	6.7
423.18375	3.0
433.16501	2.5
447.09128	2.7
448.10074	2.5
449.10458	2.5
451.17477	2.8
493.77158	2.0
540.45172	2.2
603.08929	1.9
849.32153	6.7
867.32971	100.0
868.33057	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	867.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48290	1.0
69.89085	2.0
69.89409	1.1
71.01395	8.4
73.02941	2.2
75.51559	0.9
83.01383	2.3
85.02936	2.4
87.00900	1.7
89.02464	7.8
93.03471	9.5
95.01415	1.7
95.05014	1.1
96.71873	1.0
97.02917	1.5
98.21878	1.1
99.00892	1.8
101.02473	5.1
109.02961	2.6
113.02451	2.6
117.03477	45.2
119.04989	2.4
121.27941	1.1
125.02411	1.4
133.06569	1.4
135.04535	3.9
137.02435	2.8
143.03487	1.3
143.04613	1.3
145.02957	1.7
157.06575	1.5
159.04541	3.7
161.02454	2.9
171.04475	2.0
185.06129	3.8
185.11848	1.3
187.03999	3.0
189.05664	1.5
201.05595	4.0
201.12880	1.5
205.12357	1.1
211.13441	2.4
213.05518	3.8
217.11984	1.1
221.06541	1.6
223.13470	1.3
227.07124	3.3
229.05112	3.3
239.03572	1.5
239.07217	2.0
240.04105	1.3
241.04967	3.5
243.28606	1.1
245.11864	2.7
251.07037	1.4
255.06631	1.9
257.04532	8.4
261.14929	1.5
263.12918	3.6
265.05014	1.6
266.05829	1.3
267.06592	3.2
272.08939	1.1
284.03305	2.1
285.03946	2.9
285.15024	1.6
287.12827	2.0
289.14594	3.0
307.15384	2.1
313.14282	1.5
319.55969	1.2
361.14316	1.2
363.16061	3.0
377.13599	1.5
379.19318	1.4
389.13614	1.4
395.15057	1.8
405.17044	1.8
407.14999	4.7
423.18222	4.1
433.16653	2.2
448.09247	1.6
451.17639	3.6
469.18680	1.5
595.27271	1.1
705.29486	1.7
849.31622	6.7
867.32959	100.0
868.33051	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	867.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	0.6
69.08124	0.5
69.08432	4.3
70.01250	0.7
71.01389	3.9
73.02937	0.8
83.01385	1.0
85.02955	2.5
89.02457	1.0
93.03454	2.0
94.09177	0.6
95.01380	0.8
96.68172	0.5
97.02954	1.0
101.02421	1.4
113.02467	1.5
117.03466	2.0
119.05041	2.3
121.02962	6.2
122.03761	5.0
132.02173	9.6
133.02965	3.1
134.03752	38.5
135.04564	2.9
147.04549	1.0
148.17780	0.7
149.02467	11.3
149.06078	4.1
150.03238	32.4
151.03610	1.2
160.01669	49.8
161.02478	3.2
164.04805	2.3
165.05579	20.8
175.04012	46.5
176.04605	1.4
177.05548	1.0
178.02721	2.1
179.03473	1.1
180.04282	1.8
190.02704	0.8
191.07161	1.2
193.05075	23.7
195.06631	7.1
199.07318	0.8
205.58084	0.6
222.49681	0.6
224.60536	0.6
235.06137	2.6
235.08250	0.7
250.06393	1.5
267.06696	1.0
282.09012	4.4
285.03754	0.7
333.20749	1.8
341.10349	9.3
354.26974	0.6
356.03122	0.6
371.11414	2.9
389.12195	0.8
439.40884	0.7
671.30804	100.0
672.31079	4.8
775.37396	0.9
819.36206	7.4
849.37012	2.0
867.38049	1.8
902.41418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.8
71.05019	0.6
79.88981	0.3
82.36393	0.3
93.07098	0.6
97.06572	0.8
104.17069	0.3
109.06584	1.0
111.08170	20.5
112.08541	0.4
121.06659	0.3
122.02483	1.7
123.08156	0.5
125.09684	0.5
127.07641	0.9
135.11850	0.4
137.09747	1.1
151.03992	0.7
151.07632	0.7
151.11308	0.6
152.08420	1.0
153.09192	0.5
153.12875	1.2
165.12877	0.4
167.10823	0.6
169.11014	0.6
169.12358	6.5
171.10303	2.4
179.10765	0.7
181.12358	1.5
183.13913	1.4
193.12291	0.5
195.13843	0.4
197.11842	82.3
198.12201	1.5
199.13383	2.8
209.15453	2.5
211.13419	7.4
223.13632	0.4
223.17012	0.8
225.14998	0.5
227.12907	1.3
233.15376	0.5
247.16988	0.6
247.20839	0.4
251.16467	1.5
263.20166	3.8
265.18079	2.2
273.18509	1.8
291.19681	18.5
292.19998	0.5
309.20721	100.0
310.20999	2.8
464.70801	0.3
533.69507	0.5
715.85968	0.4
780.71320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01801	0.4
65.00318	1.0
67.01878	0.5
68.99821	0.4
71.01385	8.2
71.41487	0.3
72.01698	0.4
73.02940	2.4
75.00880	0.7
83.01382	1.2
83.21593	0.3
84.23006	0.3
85.02957	7.1
86.03274	0.3
87.00896	0.9
89.02452	1.2
93.96480	0.3
95.01392	3.1
98.22545	0.3
99.00882	2.0
101.02448	3.7
103.00401	0.5
111.00893	8.4
113.02461	10.9
114.02805	0.4
123.00896	1.9
124.98833	0.5
125.02433	1.4
133.02983	0.8
134.03740	0.4
135.04550	2.9
136.98837	1.2
137.02390	0.5
139.00383	9.4
144.00308	0.6
149.02457	0.7
149.06062	0.3
151.00374	1.3
157.06592	0.4
159.03020	0.5
159.04431	0.6
161.02448	0.8
161.04601	3.4
161.05898	0.5
164.98291	1.0
165.01915	0.6
166.99876	4.8
171.04520	0.4
175.02501	3.1
175.03835	0.6
177.01894	1.6
183.04526	0.8
185.06090	0.8
187.04027	0.9
189.05557	0.4
192.00664	0.5
201.05576	0.9
203.03560	0.4
211.03967	1.1
214.02806	0.4
215.03532	0.9
227.03477	0.9
229.01663	0.3
229.05075	0.8
233.04539	0.9
235.12772	0.3
239.03560	1.3
241.01039	0.4
255.03078	1.2
257.04633	0.4
259.02365	0.8
282.76428	0.4
283.02527	1.0
288.04633	1.0
299.01993	1.0
301.03555	100.0
302.03912	6.0
303.04175	0.8
304.05942	0.7
305.06274	0.8
306.05600	2.7
343.04617	1.8
346.07007	2.0
347.07401	1.3
348.06705	6.5
365.15625	0.4
373.05722	1.5
397.05692	0.5
439.86798	0.4
475.18222	2.8
476.18610	0.5
477.06787	19.5
478.07233	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55234	0.5
79.95767	0.9
87.79214	0.4
89.20692	0.5
91.24316	0.4
98.22724	1.1
100.49963	0.5
107.64090	0.5
176.57236	0.5
182.67500	0.5
183.01213	8.3
184.01976	1.4
197.02797	17.4
198.03584	3.7
230.02504	1.2
311.16901	100.0
312.17200	4.0
392.20999	0.5
436.96429	0.5
446.49481	0.5
724.95764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03724	0.6
66.91450	0.6
71.01388	0.9
79.95730	1.1
85.88602	0.6
96.95994	0.6
127.05192	0.8
137.09702	0.9
145.06233	1.9
171.10300	1.3
183.01227	1.2
184.01842	0.8
197.02794	25.4
198.03525	3.4
209.11861	0.7
211.04382	1.6
230.02545	1.3
249.75125	0.7
277.21738	0.8
291.19608	1.4
292.20215	1.0
309.15408	0.8
309.20767	3.6
310.21207	3.1
311.16907	100.0
311.21951	3.6
312.17252	4.2
313.59717	0.7
452.53418	0.7
510.49493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
95.97803	0.2
99.00879	0.3
110.84085	0.2
117.03461	4.9
117.04269	0.3
132.54411	0.2
133.02954	0.2
141.03566	0.2
151.00354	0.4
153.01936	0.6
154.04234	1.4
161.02449	0.5
165.01945	0.3
178.99867	2.3
181.06554	0.4
182.03717	0.3
185.02464	0.5
192.39337	0.2
198.03271	0.9
207.04515	0.6
210.03279	0.4
223.04044	0.5
225.05565	0.2
226.02727	7.8
227.03418	0.2
235.04065	0.8
238.02719	1.2
241.04990	0.3
253.04973	0.2
254.02213	4.1
258.01724	0.9
265.01346	0.4
265.05283	0.2
266.02115	0.7
267.02954	0.3
268.03702	0.5
269.04572	10.4
270.05011	0.5
281.04590	0.4
283.06201	0.4
295.06244	0.3
297.04050	90.1
297.57840	0.2
298.04395	4.3
300.42484	0.2
311.05618	0.4
312.06412	16.0
313.06781	0.8
327.08746	95.2
328.05264	0.2
328.09091	4.9
343.08359	0.5
344.43454	0.2
368.10245	0.2
372.48645	0.2
387.49329	0.2
407.04434	100.0
408.04742	4.9
581.68317	0.3
722.97815	0.3
765.59076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97765	3.9
71.01404	3.5
73.02955	6.3
77.14380	1.4
85.02959	2.1
98.21976	2.3
101.02454	7.5
109.02990	7.4
113.02477	2.0
133.02060	2.0
133.02975	21.9
134.28444	1.4
149.06104	1.9
149.31807	1.2
159.43294	1.4
161.04547	2.5
170.73358	1.4
173.06039	2.3
175.03975	1.7
191.07176	3.7
203.26067	1.5
217.05026	4.6
235.11873	12.9
281.08359	1.6
283.09970	1.3
297.07486	2.2
299.09430	2.6
309.07703	5.9
327.08762	17.7
352.92169	1.3
353.10159	4.0
358.60873	1.7
367.16217	7.1
371.11380	100.0
372.11667	4.5
397.09354	2.9
409.17209	52.4
415.10367	4.7
420.97113	1.5
667.75250	1.7
769.15759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00342	2.2
71.01398	3.7
71.40931	0.5
72.99306	0.8
73.02986	0.6
75.00884	1.9
83.01390	0.8
85.02956	8.6
87.00874	1.4
89.02447	1.0
95.01392	4.5
99.00895	3.1
101.73412	0.5
103.00383	1.3
108.02177	0.8
111.00889	3.4
113.02460	19.5
113.03259	0.9
115.00371	0.7
117.01969	1.0
123.00878	1.1
124.01677	7.0
129.01979	0.8
136.01686	2.0
136.98795	2.9
139.00375	5.0
152.01166	6.3
157.01468	0.6
157.06613	1.3
166.99889	3.3
171.08159	0.9
173.06071	2.2
175.02486	10.4
180.00699	0.7
181.06552	0.6
185.06114	2.2
197.06085	0.9
199.07669	0.9
201.05554	0.8
209.06105	1.3
215.07227	0.6
225.05591	3.2
227.07205	2.9
229.05141	0.6
243.06638	26.2
253.05106	4.8
269.04517	3.7
270.04901	2.1
271.06140	100.0
272.06534	4.8
327.08865	1.1
407.04370	0.8
446.07977	0.6
447.09341	19.5
448.09784	0.9
568.62988	0.5
720.45618	0.7
779.72229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	8.1
63.53397	2.0
69.87353	3.4
69.87706	4.9
71.01392	4.1
74.17216	1.9
78.84834	1.8
82.03301	1.8
85.02949	2.2
93.03484	4.6
94.37475	1.8
95.01431	1.7
96.96021	2.4
101.02454	1.8
108.52824	1.7
117.03474	3.0
119.05006	5.5
121.02957	16.2
122.03735	15.8
123.04536	2.8
132.02191	17.8
133.02980	6.3
133.09737	1.6
134.03755	61.0
135.04504	6.4
149.02444	26.2
149.06094	7.5
150.02019	4.8
150.03239	100.0
151.03973	8.8
160.01677	83.9
161.02385	6.5
164.04820	6.3
165.01880	1.8
165.05588	76.2
166.06062	2.9
175.02502	4.4
175.04018	84.7
176.04449	2.8
178.02638	3.2
179.54843	2.1
180.04294	3.4
180.16519	2.0
181.05028	3.0
191.07191	3.5
193.05078	45.6
195.06622	28.2
235.06163	5.4
239.07021	3.2
250.06355	4.3
253.08554	2.7
267.06583	2.0
282.09061	10.0
335.22351	8.0
337.09314	5.4
341.10361	29.2
371.11252	3.9
389.12210	5.7
431.13599	3.2
629.33380	68.1
630.34174	5.2
672.31732	3.6
673.31958	19.0
674.32111	3.0
687.34082	3.6
777.38745	4.4
869.39905	43.7
870.39453	3.4
880.34491	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39148	1.1
64.97536	0.9
65.00331	0.9
71.41342	1.6
79.95744	3.5
91.61723	1.2
96.96021	3.1
110.00119	9.4
111.00893	2.1
125.82912	1.1
130.26276	1.2
134.03769	1.7
135.04543	2.4
137.99593	3.7
139.00386	5.4
151.50648	1.0
153.01939	4.4
165.99068	10.8
181.01448	1.8
227.03455	1.0
256.03839	1.3
279.51700	1.1
299.05573	1.2
300.02774	48.7
301.03174	1.6
313.03442	3.1
315.05118	83.7
316.05499	3.5
395.00790	100.0
396.01117	4.7
606.05072	1.1
607.01202	1.3
644.14880	1.2
692.42175	1.3
838.21356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36252	0.4
85.00447	0.5
117.03466	4.6
151.00407	0.6
153.01950	0.6
154.04291	1.8
160.01730	0.5
161.02388	0.4
165.01976	0.7
178.99850	2.6
185.02480	0.5
198.03227	0.9
225.53864	0.5
226.02757	6.2
235.04010	1.2
238.02733	0.7
251.03546	0.5
254.02263	3.5
255.02808	0.7
258.01740	1.0
265.01770	0.5
266.02255	0.7
269.04587	9.3
275.49619	0.5
282.89243	0.4
283.06290	0.5
297.04071	83.0
298.04376	4.5
299.04578	0.8
312.06424	15.8
313.06714	1.0
327.08768	94.3
328.09119	7.0
329.09357	1.6
395.00003	0.4
407.04449	100.0
408.04803	8.4
409.04446	4.5
772.00043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17974	0.5
69.16939	2.4
69.17345	1.0
71.44605	0.5
85.02934	0.6
113.02467	0.9
117.03443	4.8
117.36697	0.6
133.14122	0.5
137.02365	0.8
151.00330	0.5
154.04205	1.4
161.02399	0.5
175.02545	0.7
178.99870	3.0
198.03201	1.3
208.96033	0.6
210.03163	0.6
226.02733	8.1
227.03229	0.7
238.02773	1.1
243.06685	1.5
254.02280	3.2
258.01608	0.9
266.02206	0.7
269.04556	10.3
271.06216	4.0
272.06442	2.2
297.04062	94.5
298.04398	5.1
299.04431	1.2
312.06403	16.7
313.06793	1.3
314.85477	0.5
327.08752	100.0
328.09042	5.2
329.09393	1.0
333.42276	0.5
407.04440	96.5
408.04755	5.3
409.04581	3.9
558.96667	0.7
760.73639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00359	2.6
65.00723	1.6
69.34396	1.7
71.01386	28.9
73.02946	8.9
74.57045	2.0
83.01373	2.4
85.02959	12.9
87.00886	13.1
89.02450	22.3
91.05518	3.2
100.01650	1.6
101.02457	25.1
113.02461	22.6
119.01360	3.7
119.03476	4.3
121.02981	10.3
125.02457	3.9
131.03450	2.5
132.83018	1.8
135.04506	2.3
143.03477	5.4
147.00873	5.0
147.04544	4.7
149.01262	3.3
149.02449	56.3
161.04529	4.5
163.03993	3.3
163.07680	1.8
164.04810	49.4
165.01930	1.8
175.00369	32.1
179.05623	7.1
179.07146	5.7
190.02722	100.0
191.03407	4.0
193.01437	2.3
203.05634	4.2
205.05058	91.6
206.05865	4.3
208.03717	11.9
219.06552	5.8
221.06435	3.6
221.08356	3.3
223.06143	68.1
224.06090	1.7
237.07693	2.8
250.04697	2.0
263.02057	1.9
265.07104	9.9
295.08252	4.5
317.59753	2.1
325.09216	4.5
365.10913	5.8
383.12018	8.5
427.12439	6.8
457.13477	4.3
487.14505	4.4
536.13324	2.0
547.16675	2.5
569.04688	1.9
589.17816	16.6
607.22742	4.1
619.18378	2.9
647.20404	9.4
649.20319	7.0
665.22229	3.4
871.27295	65.5
872.27704	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	873.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.7
69.60577	0.4
69.80523	0.5
69.80846	1.0
83.01401	0.4
95.01390	1.3
98.22652	0.6
111.00887	6.0
118.82950	0.4
120.80212	0.4
123.00884	1.7
125.02405	0.8
133.03003	0.8
135.04538	1.8
136.98820	1.3
139.00371	7.3
140.01140	0.4
149.02470	0.9
151.00346	0.7
164.98300	0.8
166.99866	3.5
173.06027	0.5
177.01907	1.2
185.02396	0.6
187.03940	0.8
193.01416	0.5
201.05554	1.1
211.03972	1.0
213.05595	0.5
215.03444	0.7
229.05045	0.6
233.04591	0.5
239.03522	0.6
255.03102	0.8
264.30267	0.4
271.37143	0.4
283.02515	0.8
287.05801	0.5
301.03558	100.0
302.03891	4.7
324.42352	0.5
330.85339	0.4
358.55930	0.4
380.99249	44.0
381.99512	1.8
463.09030	0.6
712.16626	0.5
730.54297	0.5
810.52130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00304	0.4
67.03545	0.3
69.64257	1.5
72.04082	0.4
79.95745	2.6
80.96527	5.1
85.02922	0.6
92.91817	0.4
94.00691	0.4
96.95997	1.6
98.22643	0.8
99.05624	1.1
103.78272	0.4
109.99386	0.7
110.00109	8.5
111.00882	2.3
119.87185	0.4
123.00864	0.7
124.01654	0.4
125.02492	0.6
132.02203	0.4
133.02919	0.8
134.03743	2.1
135.04543	3.6
136.98788	1.0
137.99619	3.4
139.00385	5.0
141.01945	1.2
141.06696	0.7
151.00394	0.8
153.01958	3.2
160.01727	0.4
161.02454	1.1
164.01212	0.5
164.98312	0.9
165.99075	9.4
170.03712	0.5
175.02603	0.4
178.99861	0.7
181.01427	0.9
192.00699	1.0
200.04793	0.5
201.01845	0.5
212.04778	0.5
213.02031	0.7
214.02716	0.6
227.03502	0.6
228.04347	0.7
236.97897	1.2
242.02155	0.4
249.05513	0.8
254.02188	0.4
254.98177	0.5
255.03061	0.5
256.03818	1.4
270.01685	0.4
272.03336	0.7
283.02527	0.8
284.02972	0.5
285.94922	0.4
298.01135	4.5
298.04044	0.6
299.01727	1.0
300.02786	35.1
301.03311	3.7
313.03506	5.3
314.03915	0.6
315.05130	56.4
316.05518	2.9
340.82452	0.4
395.00793	100.0
396.01056	5.0
397.01141	1.3
477.07159	0.9
623.19977	1.4
793.19049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55032	0.5
67.01875	0.4
68.55569	0.5
69.03442	0.4
69.42842	1.8
71.01384	4.4
72.99325	0.5
73.02960	0.7
75.00879	23.3
83.01392	1.6
85.02958	17.2
86.00114	0.7
86.62492	0.5
87.00880	1.6
88.01651	0.9
89.02438	2.7
95.01393	2.3
99.00887	1.1
101.02446	2.6
112.01655	0.4
113.02456	7.5
115.00354	0.9
117.01969	0.8
129.01964	1.8
131.03519	0.5
143.03481	0.7
145.05075	2.5
147.03011	2.6
157.01384	1.0
179.05679	1.6
186.90691	0.5
189.04027	3.9
193.01231	0.4
207.05107	100.0
208.05481	1.5
221.06596	0.5
317.08752	0.4
329.42471	0.4
341.10925	1.6
383.11902	2.8
443.14340	1.2
485.15152	1.0
503.16022	0.4
607.72217	0.4
665.21539	12.3
666.21844	1.0
842.03162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.4
71.01392	1.5
71.01731	0.3
71.87290	0.3
72.99325	0.4
73.02944	1.0
75.76641	0.4
79.77625	0.2
83.01385	0.4
85.02950	0.4
89.02448	0.9
89.03986	0.8
93.03465	2.9
95.01411	0.3
95.05036	0.4
99.00887	2.3
101.02451	0.8
106.04226	0.4
109.02982	0.3
113.02470	1.0
117.03468	3.1
119.05054	0.8
121.02970	13.4
122.03768	7.6
123.04565	0.4
132.02188	3.7
133.02956	2.4
134.03755	84.2
135.04477	2.6
136.01675	0.9
137.02454	3.6
139.04008	1.2
139.05026	0.3
147.04524	0.4
148.01711	0.8
149.02458	20.0
149.06097	14.1
150.03239	53.4
151.03651	1.0
160.01657	10.1
161.02155	0.4
162.26184	0.3
163.03914	0.3
164.04785	3.6
165.05580	44.3
166.05968	0.9
170.73116	0.3
175.04018	17.9
176.04391	0.3
178.02725	22.8
179.03188	0.7
180.04308	3.2
188.47295	0.3
189.19153	0.3
192.60127	0.3
193.05069	100.0
194.05365	2.5
195.06639	25.1
196.06970	0.6
205.06580	0.8
207.06677	0.4
208.65974	0.3
221.06047	1.1
222.06853	0.7
223.07645	0.5
233.06181	1.4
234.06824	1.0
235.07689	0.6
238.06319	0.6
239.07191	3.3
246.62120	0.3
249.05556	0.3
250.06390	3.2
251.07112	0.8
253.08698	1.3
254.09406	1.0
265.08685	0.6
267.06601	2.8
282.08981	10.3
283.09207	0.5
297.07996	0.6
297.11301	1.0
301.07394	0.3
326.07950	0.8
341.10297	38.5
342.10596	1.3
371.11414	5.8
389.12430	31.5
390.12915	1.4
397.15103	0.8
439.15979	0.4
457.17297	0.8
570.30585	0.3
591.21350	0.9
633.21857	12.8
634.22223	0.8
829.29565	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	874.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95757	1.0
69.25014	6.0
74.99113	1.1
78.03514	1.5
80.05073	2.3
83.06717	1.0
84.04565	1.0
86.02467	6.2
89.00687	1.5
96.43253	0.9
96.96023	1.0
108.04568	2.0
122.02497	100.0
123.02839	1.5
127.08791	2.7
128.03551	22.8
137.57568	1.0
138.52895	1.1
149.20042	0.9
164.98315	1.3
167.03511	1.8
171.07768	7.9
191.03520	3.8
215.06717	4.0
218.93335	1.1
234.87256	1.2
237.13231	2.0
276.37549	1.1
285.04099	1.8
340.52344	1.3
658.28119	31.5
659.28809	2.1
745.31256	30.7
746.31720	2.8
856.34430	4.4
874.35754	32.1
875.36877	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	875.168
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02412	0.8
64.74618	0.4
65.00329	1.8
67.01875	1.5
69.04514	3.2
71.01394	3.4
72.99322	0.6
75.00864	1.8
81.90785	0.4
85.02953	6.1
87.00887	1.7
89.02437	0.6
91.10211	0.4
95.01399	3.0
99.00878	2.2
103.00398	1.1
113.02460	15.8
115.00398	0.7
117.01988	1.0
129.01967	0.8
136.98804	1.3
139.00485	0.8
141.07094	0.8
143.05000	0.5
145.03036	0.5
155.05017	0.5
164.98318	1.5
169.06584	2.2
171.04514	2.8
175.02490	8.2
181.06641	0.6
183.04544	0.4
195.04509	0.9
197.06078	5.5
199.04053	1.0
213.05571	1.6
213.32654	0.4
223.04045	1.4
224.04808	0.5
225.05663	3.4
239.03520	0.7
240.04112	1.0
241.05031	3.1
253.05070	17.4
254.05255	0.5
267.03006	0.9
268.03790	1.3
269.04559	100.0
270.04913	2.7
359.17197	0.5
379.44681	0.4
388.58118	0.4
429.08420	4.2
441.41360	0.5
445.07782	39.3
446.08060	1.6
702.94159	0.5
738.81366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	2.0
69.20734	1.7
71.01374	1.2
82.00616	0.5
83.01372	0.5
85.02947	1.9
87.00871	0.6
92.99871	0.3
95.01376	1.6
96.99333	0.5
99.00880	0.9
107.01378	0.4
110.00113	3.2
111.00166	0.6
111.00891	10.0
113.01656	0.3
113.02431	1.6
122.02070	0.3
123.00895	1.8
123.29366	0.3
125.02466	0.6
135.04533	3.0
136.98811	2.3
137.02498	0.4
137.99712	0.7
139.00383	10.2
151.00375	2.0
153.01912	0.4
159.04507	0.5
161.02400	0.4
164.98305	2.9
165.01961	0.5
165.07906	0.3
165.99104	1.6
166.99857	2.5
171.04602	0.5
175.02463	0.8
177.01935	0.8
178.99828	0.7
183.04453	0.5
185.06146	0.5
187.03973	1.0
189.05597	0.4
192.00632	0.8
193.01424	1.0
193.27190	0.3
195.04521	0.5
201.05562	0.9
211.03976	1.1
213.05580	0.8
215.03534	1.0
227.03572	0.7
229.05064	0.9
231.02997	0.3
239.03465	2.2
241.01466	0.5
241.05132	2.3
243.06685	0.4
255.03065	1.5
258.01749	0.6
269.04565	4.6
270.05252	1.9
271.05960	0.4
283.02478	2.4
299.01959	0.6
299.71271	0.4
300.02689	0.8
301.03540	100.0
302.03864	3.8
385.16150	0.3
398.13538	4.0
417.30655	0.3
477.06747	61.5
478.07022	2.8
505.34464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70096	2.0
65.00320	6.2
65.99849	5.5
66.87341	2.0
68.99815	2.3
69.20311	14.0
96.00901	2.4
98.22691	4.7
108.85757	2.2
110.02477	6.4
111.00870	9.7
123.03277	6.9
126.01944	4.1
134.02478	7.4
135.03233	6.4
135.04372	2.2
136.00381	8.0
136.04044	7.0
137.02443	6.0
138.01907	5.7
139.00391	8.7
148.04034	3.0
151.02737	7.9
160.04042	2.6
163.99796	2.7
165.00742	3.5
166.01462	3.0
171.04532	10.6
175.99898	2.5
176.03476	3.4
178.25711	2.3
180.03078	3.8
187.02754	2.9
192.03098	6.8
195.92865	2.3
204.02968	4.0
208.07719	2.3
220.07581	2.3
224.07347	2.7
225.05608	2.8
226.08800	4.7
228.06517	3.6
236.71161	2.4
242.08250	64.6
243.08591	2.8
252.06691	5.6
253.04999	3.2
255.06728	3.6
262.08823	2.6
268.06110	7.9
269.06958	3.1
270.07733	100.0
278.08124	3.0
280.06085	9.9
282.07874	4.4
291.08981	4.0
296.05612	6.8
306.07669	3.2
328.38303	2.3
351.10034	3.3
353.11377	7.1
380.12903	10.7
382.14722	12.8
450.13474	34.8
454.12982	5.0
477.86026	2.5
478.13300	4.6
493.12411	4.7
522.11957	49.4
561.16144	3.7
605.15741	17.1
607.53046	2.5
858.23193	4.2
859.21393	4.5
876.24182	92.0
877.24524	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	877.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00352	0.8
66.92675	0.4
71.01391	2.5
75.00883	0.8
77.94882	0.4
81.03463	1.1
83.01387	1.1
85.02965	3.5
87.00898	0.7
95.01417	0.9
95.04945	0.4
98.21887	1.0
99.00829	0.9
103.00364	0.5
107.01389	0.9
109.02937	0.7
113.02448	3.4
118.83826	0.3
119.05055	1.2
123.04538	9.8
125.02484	1.2
129.01981	0.6
133.02940	3.8
135.04475	0.4
136.98828	0.5
149.02420	1.3
151.00369	2.4
151.04074	0.4
164.98294	0.8
167.03514	30.8
168.03796	0.6
171.04539	0.4
175.02483	1.6
175.04004	1.2
179.03592	0.3
181.05109	1.0
185.06046	0.5
187.04066	0.5
191.03510	7.8
197.06049	0.5
199.04051	1.3
201.01944	0.5
203.08345	0.6
209.04565	2.9
213.05568	0.8
217.05089	0.7
221.04562	0.7
233.52420	0.4
239.03558	0.4
241.05144	0.6
243.02908	0.5
245.09344	1.2
255.03003	1.1
257.04495	0.5
265.47845	0.4
267.03024	0.5
283.02530	2.8
285.04071	100.0
286.04562	2.4
327.05099	1.3
357.06204	1.0
371.09882	16.1
372.10211	0.6
415.09662	0.5
461.07318	47.3
462.07834	1.4
536.25354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	3.9
65.12499	1.3
69.04758	3.1
69.05159	8.7
71.01384	2.8
72.75869	1.3
76.76105	1.5
81.48212	1.5
85.02967	1.5
92.09466	1.2
93.03452	1.3
93.07898	1.3
99.00813	1.3
117.03506	2.1
119.04974	1.4
120.99294	2.0
132.02173	3.2
133.02975	4.6
134.03801	12.4
135.04521	6.2
136.98819	8.5
137.02461	16.8
149.06079	2.3
152.01103	2.9
160.01677	21.7
161.02458	6.9
164.98297	10.5
165.01942	70.7
166.02542	2.2
175.04025	23.8
178.02672	1.5
179.03532	11.9
180.04306	35.5
181.04924	2.3
183.04526	8.1
185.02431	3.9
190.02528	1.7
193.05103	6.9
195.02956	2.1
195.06631	31.4
205.04970	1.7
210.05243	6.4
211.04022	3.4
213.01956	1.5
221.88423	1.5
225.07703	13.2
227.03561	1.8
239.03476	4.5
242.08939	1.4
255.03032	23.4
267.02939	1.8
268.03687	4.2
269.04559	15.1
283.02496	97.5
284.03174	6.6
296.02933	1.4
297.04031	7.3
298.04840	100.0
299.05237	6.7
312.06296	2.1
313.07214	80.0
314.07465	4.3
323.07678	6.0
337.09390	12.7
367.10516	2.6
401.12582	1.8
635.14142	1.7
650.16437	9.3
651.17200	73.6
652.17645	5.0
705.18250	5.4
716.22626	1.5
749.64978	1.5
789.34949	1.5
829.23376	6.0
859.24982	3.1
877.25586	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	877.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22353	0.6
67.13964	0.6
71.01383	1.3
85.02975	0.6
141.95776	0.7
149.02477	2.0
158.48540	0.6
164.04776	1.7
165.05638	0.7
175.00427	3.1
175.04070	0.8
190.02731	9.8
191.03465	0.8
205.05099	10.2
207.02901	0.9
223.06126	2.7
232.03871	1.0
238.91377	0.7
244.14668	0.9
257.15601	1.0
271.17172	0.9
273.18582	4.2
276.47433	0.7
285.18701	2.6
301.18167	1.7
303.19644	2.8
317.17593	5.2
329.17740	3.2
345.17035	1.9
346.17871	0.7
347.18655	100.0
348.18875	5.6
352.08093	1.2
353.08832	1.6
367.10562	4.3
377.58978	0.7
446.76602	0.7
509.23932	16.8
510.24088	1.2
604.10199	0.8
715.29761	13.1
716.29535	1.3
877.35156	29.9
878.35962	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	877.442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.3
79.95354	0.2
79.95777	0.7
103.01514	0.3
120.72066	0.3
183.01210	3.8
184.01958	0.4
197.02782	20.4
198.03593	5.2
211.04343	1.2
212.05150	0.7
225.00410	0.3
228.83548	0.3
230.02576	1.8
297.15314	100.0
298.15637	2.9
326.07697	0.3
338.74005	0.2
691.31207	0.3
885.41199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
65.00327	0.6
69.67734	1.8
71.01384	3.5
73.02950	1.4
79.82823	0.5
85.02979	1.5
87.00880	1.2
89.02463	2.1
91.01907	1.8
95.01445	0.5
101.02456	3.2
108.02170	2.7
113.02489	2.6
122.43359	0.5
123.04533	8.5
125.02474	0.6
152.01170	3.5
166.02776	1.2
167.03514	23.7
181.05084	1.1
194.02310	1.1
197.14572	0.5
199.09975	0.6
203.05670	0.9
209.04590	6.0
221.06766	1.2
234.05627	0.6
239.05663	2.2
269.06726	1.3
329.08932	0.5
371.09711	3.1
384.70355	0.6
533.15582	3.0
549.91602	0.8
593.17627	1.8
647.20636	1.1
760.45117	0.6
776.34821	0.6
815.24664	23.5
816.25415	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	879.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58928	1.2
71.01395	3.6
72.99299	1.1
75.00891	2.5
83.01383	1.4
85.02957	7.9
87.00893	2.1
87.82703	0.8
88.98093	0.8
93.03465	1.8
95.01419	5.4
96.90154	0.9
99.00891	3.1
103.00389	1.1
109.02962	8.8
111.00896	3.1
113.02457	18.4
119.05034	21.1
123.00883	2.3
124.01675	1.1
132.02213	1.0
132.52559	0.8
133.02965	25.7
135.04549	0.9
136.98825	3.1
137.02405	1.2
139.00383	13.0
139.10765	0.8
141.01938	2.0
145.06581	1.6
149.06108	1.6
151.04008	1.2
153.01956	25.3
166.99883	19.0
173.06088	3.5
175.02487	15.6
175.04028	3.2
177.01949	1.5
181.01419	10.8
189.05504	1.9
191.07152	4.9
193.01451	3.0
193.03539	2.3
201.05548	1.8
207.41933	0.8
211.55151	1.0
217.05035	6.5
225.05539	1.4
226.06204	0.8
227.03464	1.4
229.04958	1.9
235.09702	0.9
241.05049	1.5
243.06592	1.5
255.10205	1.7
257.04504	1.3
259.06125	2.8
269.04675	5.8
281.08179	3.4
283.09763	1.2
287.05627	100.0
288.06033	2.7
297.04285	0.9
297.07590	2.0
298.04749	1.6
299.09317	3.1
309.07730	8.4
327.08759	30.7
328.09161	1.8
353.10446	6.3
371.11374	99.7
372.11719	5.4
415.09570	1.2
463.08875	56.2
464.09109	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	879.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	1.2
67.01901	0.4
68.99825	0.6
69.13155	0.3
69.13451	0.5
69.13743	0.3
69.71902	0.2
71.01385	3.3
71.39749	0.2
72.99329	0.6
73.02957	0.3
75.00870	1.6
83.01396	0.6
85.02956	9.5
87.00867	1.2
89.02435	0.8
89.48286	0.2
95.01405	4.3
96.99337	0.3
98.21769	0.5
99.00895	3.4
101.02447	0.4
103.00390	1.7
108.02177	0.7
111.00883	2.9
113.02459	21.9
114.02769	0.3
115.00385	0.5
117.01960	0.8
119.05003	0.3
123.00911	1.1
124.01681	6.1
124.98783	0.3
129.01923	0.9
136.01668	2.1
136.98836	2.6
139.00388	5.3
152.01163	5.6
153.07088	0.5
156.00691	0.5
157.01485	0.5
157.06609	1.0
164.98325	0.3
165.99002	0.4
166.99883	2.6
169.06616	0.4
171.04515	0.5
171.08147	0.8
173.06068	1.5
175.02492	11.2
180.00612	0.4
181.06631	0.7
184.05682	0.2
185.06093	1.3
193.01390	0.6
197.06082	1.2
198.06364	0.3
199.07658	0.9
201.05577	0.9
209.06073	1.2
213.05544	0.3
221.08060	0.2
225.05591	3.9
227.07167	2.4
229.05008	0.5
241.04935	0.3
243.06627	27.3
244.06949	0.7
253.05048	5.4
257.45517	0.3
269.04565	9.0
270.04910	4.0
271.06134	100.0
272.06516	3.5
284.03494	0.4
285.03687	0.3
299.05637	1.2
373.78845	0.3
374.60056	0.3
431.09555	0.7
445.07773	1.4
446.08090	0.9
447.09314	18.2
448.09619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.9
69.23900	0.7
70.59448	1.1
71.01392	3.0
72.99315	1.5
75.00871	1.1
83.01378	1.0
85.02964	6.2
86.21217	0.8
93.03477	1.5
95.01386	5.4
99.00897	2.5
103.00425	1.3
109.02957	9.4
111.00871	3.8
113.02459	17.6
117.03452	0.9
119.05038	19.4
121.06672	0.8
123.00877	2.3
124.01698	1.6
133.02974	20.2
136.98770	3.0
137.02467	1.2
139.00397	10.8
141.01959	2.0
145.02977	1.0
149.06117	1.8
151.04102	1.4
153.01955	20.8
161.02466	0.8
164.98306	1.5
166.99886	15.1
173.06111	2.9
175.02518	14.4
175.03944	1.6
177.01942	1.3
181.01439	11.4
187.04065	1.4
189.05620	1.9
191.07150	4.0
193.01405	2.6
193.03430	1.6
193.08693	1.0
201.05498	1.2
209.06111	0.9
213.05592	0.8
217.05096	7.4
227.03584	1.3
229.05132	1.6
241.05231	1.2
243.06625	1.9
245.04512	1.1
255.10196	2.4
257.04605	1.3
259.06082	2.3
261.07544	1.1
269.04626	5.8
281.04416	1.1
281.08185	3.6
283.09781	1.6
287.05630	90.3
288.05939	3.5
297.07721	2.2
298.04779	1.8
298.45163	0.9
299.09235	1.8
309.07709	9.0
310.08163	0.9
327.08765	28.7
328.09161	2.2
353.10294	5.3
371.11380	100.0
372.11679	6.9
375.63016	0.9
392.39255	0.9
415.14474	1.1
463.08878	51.9
464.09363	4.1
735.02234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56503	0.7
65.00333	1.3
71.41869	0.8
75.57847	0.6
110.00072	3.6
117.03482	2.1
119.05042	1.8
135.00867	0.9
136.98843	1.1
149.02484	1.0
151.00421	1.7
165.99118	3.8
176.17773	0.7
185.06166	1.3
200.04900	1.6
207.43661	0.7
211.04143	1.8
227.03513	2.4
239.03502	3.4
241.05112	1.5
255.03018	2.5
256.03738	1.7
267.03104	1.3
269.04550	13.9
271.06223	1.0
283.02539	3.1
284.00766	0.5
284.03281	43.6
285.04065	51.5
286.04584	1.2
375.79276	0.7
431.09827	11.5
447.09366	100.0
448.09662	3.8
551.29285	0.7
709.75879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	2.1
71.01392	2.7
72.99281	0.5
75.00867	0.9
78.04481	0.4
83.01383	0.7
83.62789	0.4
85.02956	4.2
87.00905	0.7
89.02420	0.5
89.27472	0.4
95.01404	2.6
96.99315	0.5
99.00892	1.8
111.00889	11.9
113.02462	5.9
123.00865	2.1
125.02474	1.0
133.02968	1.3
133.60443	0.4
135.04526	4.3
136.98801	1.9
139.00385	15.0
149.02448	0.7
151.00375	1.1
159.04506	0.5
161.02432	1.3
164.98288	3.2
165.01906	0.7
165.99048	0.7
166.99847	4.1
171.04478	0.8
175.02513	2.7
175.03842	0.7
177.01952	1.6
183.04482	0.6
187.03999	1.2
201.01906	0.9
201.05534	1.3
211.04059	1.3
213.01874	0.5
214.02687	0.6
215.03522	1.6
227.03516	1.3
229.05099	0.5
231.02789	0.4
233.04456	0.9
239.03505	1.5
255.02863	1.1
257.04633	0.8
259.02420	0.6
273.03922	0.6
275.23984	0.4
283.02423	1.9
297.00128	0.5
299.01935	6.4
300.02341	3.7
301.03549	100.0
302.03854	2.8
309.13489	0.5
315.04178	0.5
343.04556	1.6
373.05618	1.3
477.06775	21.3
477.13690	1.0
478.07355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60135	0.4
63.72626	0.4
65.00325	2.6
67.01868	0.4
68.99834	0.4
69.73164	1.4
82.00603	0.7
82.62841	0.4
92.99789	0.5
93.03452	0.5
93.57878	0.4
95.01405	1.6
99.00910	0.5
107.01380	0.7
110.00110	5.4
111.00893	10.7
113.14584	0.4
117.03505	1.4
119.05036	5.6
121.02982	0.5
123.00896	2.2
124.98830	0.4
125.02491	1.1
133.02975	0.7
135.00916	0.4
135.04526	0.4
136.98817	2.4
137.02469	1.9
137.99617	1.7
138.00633	0.4
139.00383	13.6
141.01881	0.4
143.05017	0.6
149.02390	0.6
151.00377	4.3
152.44601	0.4
154.95258	0.4
161.02452	2.3
163.00395	0.7
164.01170	0.8
164.04756	0.6
164.98276	2.2
165.01945	4.7
165.99059	2.8
166.99878	3.4
169.06609	1.3
171.04521	1.2
173.06041	1.0
177.02048	0.5
178.99881	0.9
179.05020	0.7
180.04298	1.5
183.04468	0.5
185.02400	0.5
185.06088	1.2
187.04115	0.5
190.02693	0.4
190.99850	0.7
192.00710	0.7
193.01463	0.4
195.04562	1.2
195.06638	1.2
199.03992	1.0
211.04022	0.5
212.04666	0.7
213.05615	1.5
217.05116	0.9
223.04048	2.9
225.01970	1.3
227.03615	0.6
238.85382	0.4
239.03539	1.8
241.05124	1.0
242.02238	0.8
243.03061	0.6
255.03024	0.7
257.04752	0.8
265.91797	0.4
267.03000	1.1
268.03778	0.5
283.02579	3.4
284.03259	11.8
285.04065	100.0
286.04486	3.6
299.05606	0.7
313.07211	0.4
327.05139	0.7
381.13345	0.4
429.08133	1.0
652.14813	0.6
879.23578	20.2
880.23944	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	879.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79514	0.4
65.00333	3.3
68.99811	0.6
69.19017	2.1
82.00613	1.0
83.01413	0.9
93.03474	1.1
95.01413	2.5
107.01360	0.5
110.00108	6.8
111.00892	12.0
117.03502	1.9
119.05039	6.0
121.02957	0.9
123.00901	2.7
125.02454	2.2
125.03201	0.4
133.02994	1.4
136.01553	0.4
136.98824	3.4
137.02444	2.3
137.99631	1.5
139.00386	16.4
143.05052	1.4
149.02484	0.5
151.00389	4.8
153.95354	0.4
161.02400	2.6
163.00290	0.5
164.01213	0.4
164.98338	2.4
165.01932	5.1
165.99055	3.2
166.99869	3.7
167.05072	0.6
169.06595	1.1
171.04503	0.9
172.24097	0.3
173.06123	1.0
178.99780	0.7
179.03554	0.5
180.04291	1.5
183.04622	0.6
185.02434	0.4
185.06044	1.0
190.99930	0.8
192.00685	1.0
195.04547	1.0
195.06625	1.1
197.06081	0.8
198.03229	0.5
199.04039	1.5
211.04008	1.2
212.04723	0.5
213.05573	1.7
214.02760	0.6
217.04982	0.7
223.04115	2.9
225.01993	1.3
227.03578	0.4
239.03497	1.2
241.05212	0.5
242.02213	0.9
243.02875	0.4
255.02983	0.6
257.04474	0.9
267.02997	1.4
269.04501	0.6
283.02463	3.4
284.03284	11.3
285.04065	100.0
286.04428	4.5
299.05502	0.5
313.07297	1.1
314.07544	0.7
324.91684	0.4
327.05130	0.4
429.08301	1.4
710.47711	0.4
752.42505	0.4
879.23566	19.1
880.24078	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	879.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81851	2.0
65.00313	1.6
71.01383	7.3
73.02949	14.1
77.51894	1.9
83.01384	4.6
85.00415	2.6
89.02393	2.0
96.96023	3.7
98.22707	4.0
101.02464	19.3
113.02425	2.5
125.02454	3.6
136.16728	1.8
136.89429	1.7
136.90538	2.1
143.03539	3.9
161.04581	5.0
179.05695	2.5
191.14412	5.8
203.05699	6.6
221.15544	2.0
223.17012	2.3
269.04575	6.4
270.05038	3.1
271.06210	2.0
300.27753	2.0
303.03079	2.3
305.03098	2.0
421.31064	2.1
423.32657	12.0
425.34424	4.4
439.31955	3.5
457.33249	100.0
458.33707	10.1
467.31165	2.0
469.33087	8.4
475.34412	6.2
483.34879	4.8
501.32288	5.1
511.34439	12.1
569.35565	2.0
673.39447	2.9
678.54321	2.1
689.09583	2.0
715.40912	5.2
793.44263	2.4
853.72473	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	881.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.2
64.94662	0.5
65.74480	0.4
69.26144	0.5
71.01385	4.8
71.05037	0.8
72.32607	0.5
73.02564	0.8
73.02952	9.6
80.79034	0.5
83.01392	3.3
85.02994	0.7
89.02446	1.9
96.96034	0.7
101.02460	15.4
101.23391	0.4
113.02439	1.9
119.03513	2.4
122.02496	11.9
125.02458	0.8
131.03461	0.5
133.42462	0.5
134.03745	1.7
143.03499	1.2
143.12057	0.5
149.02399	0.6
150.03200	0.7
161.04553	2.0
165.05603	0.6
173.95746	0.4
193.05103	1.3
195.06531	0.5
203.05612	5.1
210.55235	0.5
216.52464	0.5
263.07773	1.4
271.13522	0.5
285.04068	0.6
331.17767	0.5
411.32697	2.5
453.33713	10.7
454.34021	1.0
471.34811	100.0
472.35092	6.8
485.36133	1.3
497.32922	0.7
513.35938	2.7
514.28754	0.6
573.22821	0.9
717.42407	1.7
837.45850	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	882.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98868	0.2
69.13891	1.1
69.14301	0.5
69.57831	0.2
71.98489	0.3
78.95875	0.3
79.95719	2.4
95.95245	0.4
96.96020	84.0
131.19339	0.3
143.81152	0.3
150.25809	0.3
172.30791	0.3
265.14804	100.0
266.15100	3.6
312.16382	0.3
328.98639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89558	3.1
78.95962	0.7
79.00360	0.7
183.01332	1.1
184.02003	1.1
197.02811	24.5
198.03583	2.7
205.47305	0.8
211.04379	1.5
227.86440	0.8
230.02394	1.3
230.04559	0.8
239.42131	0.7
325.18448	100.0
326.18823	4.2
352.47961	0.9
456.91354	0.8
582.40387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01514	0.9
71.40722	1.4
98.26522	1.0
117.03421	4.9
154.60770	1.1
161.02461	1.8
165.02074	1.0
178.99893	3.1
226.02734	6.8
254.02040	3.4
269.04645	12.2
285.04147	1.4
297.04053	88.9
298.04361	3.8
312.06403	17.4
327.08746	95.4
328.08817	5.0
407.04425	100.0
408.04727	5.9
456.31384	1.2
532.96967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54269	3.5
69.54666	4.5
79.95746	17.4
80.96579	1.7
117.03508	5.3
121.46207	1.4
154.04170	1.7
163.00386	4.2
178.99843	2.5
196.05353	1.6
198.03192	2.0
224.04695	1.8
226.02725	8.8
254.02203	2.0
268.03778	64.8
269.04480	11.4
283.06134	30.7
283.57547	1.5
284.06281	1.6
297.04050	84.4
298.04257	2.9
312.06378	16.2
327.08740	92.3
328.09103	3.8
363.01825	78.4
364.02133	4.5
407.04453	100.0
408.04718	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	883.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	4.1
71.01382	7.2
73.67669	3.7
85.02960	5.6
93.03476	7.1
96.96020	4.0
101.02470	4.0
113.02500	6.0
116.92862	5.2
117.03446	4.5
119.05008	6.0
121.02982	11.1
122.03728	19.5
132.02176	18.4
133.02917	9.6
134.03766	69.6
134.75607	4.3
135.04568	11.1
136.01636	4.9
147.04541	5.0
149.02411	25.2
149.06136	10.2
150.03242	97.8
151.03996	6.5
158.49252	4.5
160.01671	94.9
161.02444	24.1
165.05569	70.9
175.04016	100.0
178.02687	6.0
193.05086	53.1
195.06622	16.2
235.06177	5.7
261.22202	11.9
282.08948	4.6
331.19125	6.0
349.20358	9.6
541.11768	4.7
599.32367	5.2
638.86005	4.8
643.31268	48.1
687.30536	20.8
701.32367	5.9
883.37769	77.4
884.38739	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	885.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.7
67.08916	0.5
70.33105	0.7
71.01385	8.8
73.02951	25.5
83.01395	4.7
85.02955	1.5
89.02445	1.9
95.01409	0.7
97.02982	0.9
101.02452	12.8
113.02443	2.3
117.68542	0.6
118.01227	0.7
119.03487	0.7
121.02977	0.8
122.03716	1.1
131.03510	1.2
132.02184	1.9
133.02994	0.9
134.03745	5.2
143.03505	0.8
149.02443	1.7
149.04567	1.0
149.06149	0.8
150.03249	8.4
155.03471	0.7
160.01683	8.0
161.04564	2.2
162.47592	0.7
165.05579	7.2
175.03995	9.2
188.04686	0.8
193.05031	3.9
195.06662	1.7
202.06367	3.6
203.07208	1.2
215.07106	0.7
245.08160	0.8
247.09610	0.8
269.11774	5.6
270.12668	1.9
285.14987	28.5
286.15518	0.8
311.16513	8.1
313.14474	10.8
314.15005	1.3
327.15994	1.5
329.17596	54.5
330.17926	0.9
341.10480	0.7
345.17050	3.6
371.18463	1.5
373.16574	11.0
388.18909	12.9
389.19720	100.0
390.20038	2.3
515.22888	0.9
533.24200	1.7
541.66302	0.7
575.24847	3.2
593.26544	1.3
645.33093	6.9
689.32001	2.4
755.31439	10.0
756.30859	0.9
797.32465	67.6
798.32593	2.8
885.39197	3.2
914.35931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.455
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44789	2.0
63.64909	2.0
68.37408	1.8
69.03465	6.6
69.70058	3.5
69.70441	6.4
80.16845	1.9
88.08979	1.8
119.08657	11.0
137.09741	34.7
152.91246	1.9
155.60912	2.3
160.15790	1.9
171.10295	97.6
201.11328	12.9
261.18362	2.2
273.18784	3.0
283.02521	3.3
291.19656	10.1
309.20746	100.0
399.80008	2.2
454.37842	2.2
454.53101	2.1
599.85767	2.1
639.27899	2.6
711.63690	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	885.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.3
71.01385	12.5
72.99306	0.7
73.02939	1.8
80.02678	1.5
81.03458	2.6
83.01379	1.4
83.05033	5.7
84.02136	0.7
85.02956	2.9
87.00895	2.8
89.02451	12.4
91.26442	0.7
95.01443	1.0
95.05011	0.6
97.02956	2.1
98.25235	0.7
99.00876	1.2
101.02465	10.2
113.02461	6.2
119.03557	3.6
125.02458	6.5
139.04112	0.8
143.03548	1.9
161.04620	3.0
163.11308	3.8
165.12856	2.7
179.05638	3.4
191.10866	0.8
205.27747	0.7
209.11845	100.0
210.12209	3.1
217.07204	0.6
221.06552	1.4
227.12883	11.3
235.08202	4.1
277.21756	42.3
278.22107	1.8
287.07828	1.0
305.08618	1.4
323.09961	1.0
379.12509	4.8
388.43585	0.7
397.13531	29.2
398.13928	2.0
415.14655	6.7
607.26068	0.7
885.46887	1.4
887.90295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	4.8
68.90082	0.6
69.03474	1.1
70.79347	0.6
71.01387	16.6
71.42919	0.9
72.99294	0.6
73.02966	3.0
80.02660	0.8
80.96539	0.9
81.03471	2.8
83.01401	2.0
83.05035	4.8
84.02158	1.0
85.02961	3.4
87.00898	4.4
89.02455	13.5
95.01401	1.4
95.05017	0.7
97.02974	3.0
99.00888	0.7
101.02456	11.8
113.02469	7.7
119.03511	3.1
124.01664	0.7
125.02458	7.1
125.06110	0.7
127.82389	0.5
131.03555	0.8
133.05070	0.9
134.04706	0.7
135.04565	0.8
139.04076	0.7
143.03526	2.5
161.04550	2.7
163.11302	3.3
165.12856	2.1
179.05579	3.5
191.10793	1.2
209.11847	100.0
210.12154	2.4
221.06737	0.9
227.12885	9.8
235.08232	4.6
253.09184	1.0
263.07553	0.9
277.21756	50.1
278.22086	2.0
287.07605	1.4
305.08813	2.0
309.17542	1.0
311.16879	1.2
315.87451	0.5
325.18372	1.3
379.12476	5.4
386.41098	0.5
397.13547	38.5
398.13794	1.8
415.14664	8.8
589.25702	0.6
812.97852	0.6
885.46960	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	887.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65206	0.6
69.57887	2.2
71.01389	13.3
81.07104	6.1
83.01405	0.8
83.05016	1.1
85.02956	2.0
89.02453	17.0
94.04285	0.7
95.05052	0.6
98.21872	0.5
101.02458	5.7
109.06594	6.2
113.02471	4.1
119.03529	5.0
123.03656	0.9
123.04539	18.1
127.07668	38.4
131.03525	0.6
138.03244	7.1
143.03490	1.8
153.05591	100.0
154.05952	1.5
161.04538	2.4
171.06642	30.9
179.05618	16.6
229.25246	0.6
234.90833	0.6
290.18448	0.7
333.11829	1.1
351.13080	0.6
392.84488	0.6
439.16119	87.3
440.16614	4.7
515.85370	0.7
619.22504	51.6
620.22784	3.5
703.26044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77409	0.5
71.01369	0.7
83.04213	0.5
83.54825	0.5
85.44640	0.5
95.36127	0.4
98.22693	1.3
99.58929	0.5
117.05545	1.1
121.09399	1.0
121.10245	18.1
122.02410	1.1
127.11174	0.5
138.81599	0.5
141.12875	0.7
153.09261	0.6
162.74657	0.6
171.10281	42.5
175.97105	0.6
177.16498	1.2
183.13951	0.8
185.11844	1.6
231.21230	4.1
275.20169	87.4
276.20682	2.8
293.21255	100.0
294.21497	3.0
389.48804	0.6
401.81699	0.5
469.58096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	1.8
65.00325	1.5
68.99820	1.0
71.01389	13.1
72.99301	2.1
73.02943	1.4
75.00877	6.3
79.29379	0.3
83.01401	1.1
84.02177	0.7
85.02956	32.2
86.03291	0.5
87.00882	4.0
89.02454	2.2
93.53441	0.3
95.01393	10.2
98.22681	0.9
99.00885	10.5
103.00387	5.2
107.01397	1.6
110.00110	1.6
111.00889	0.8
113.02458	67.3
114.02807	1.3
115.00387	2.6
117.01945	3.6
129.01952	2.5
139.05486	0.3
143.05052	1.9
145.02921	0.6
151.00395	0.4
157.01433	0.9
163.00337	0.8
165.07062	0.4
165.99057	2.4
167.05060	0.7
175.02493	34.3
176.02840	0.4
180.05714	0.5
181.06564	0.9
184.05328	1.7
185.06111	0.7
196.05353	0.4
197.06161	0.4
203.50934	0.3
209.04390	0.4
209.06129	2.3
211.04024	1.4
212.04782	0.7
223.04024	0.8
224.04773	0.6
225.05492	0.4
239.03523	1.5
240.04346	0.6
253.05072	100.0
254.05365	3.4
267.02847	1.8
268.03781	62.3
269.04407	4.8
270.07745	0.4
283.06128	56.1
284.06360	1.9
377.07614	0.5
429.08282	21.0
430.08701	1.3
459.09302	13.0
460.09619	1.2
572.85547	0.4
687.51050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.278
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	9.0
69.18430	7.5
71.01373	1.4
85.02927	1.8
89.02467	1.9
93.03436	2.4
94.84234	1.2
96.96008	1.6
99.00866	2.3
101.02446	1.5
113.02460	2.7
117.03461	4.1
119.05047	5.5
120.66084	1.5
121.02946	9.2
122.03741	4.7
132.02177	3.9
133.02985	1.5
134.03760	66.7
135.04506	3.2
136.98805	13.8
137.02412	2.1
145.02907	1.7
149.02449	11.7
149.06107	13.6
150.03242	33.2
156.16083	1.3
160.01678	9.4
163.04031	1.9
164.04874	3.1
164.98335	1.5
165.05580	32.2
175.04012	18.1
178.02728	15.6
180.04333	2.3
193.05083	100.0
195.06636	17.9
211.04012	1.6
233.06053	1.6
239.03523	31.5
239.07173	2.1
240.04013	1.6
250.06410	2.3
267.03021	79.3
268.03293	4.5
269.04535	6.2
282.09030	5.5
285.04004	2.9
341.10318	22.3
371.11224	9.2
389.12463	20.8
455.15878	3.3
604.45477	1.6
649.21558	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	889.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96886	0.6
69.28519	3.4
69.43462	0.6
71.01369	1.2
73.02957	1.0
89.75398	0.5
97.06613	0.6
98.21971	1.2
101.02417	1.5
109.02956	8.9
113.02475	0.6
114.74686	0.5
119.05112	0.6
121.87838	0.6
123.04570	0.7
133.02972	28.8
135.04567	1.6
137.02449	0.7
137.06120	0.6
149.06088	1.9
151.04050	1.5
161.02438	0.9
163.04181	0.8
163.11308	0.7
165.05585	0.7
169.98674	0.6
173.06087	2.6
175.04018	2.6
175.07634	0.9
177.01949	2.2
189.05550	1.0
191.07141	4.7
193.08693	2.0
201.43378	0.8
205.02861	1.4
207.10315	0.8
215.18585	0.7
217.05066	5.6
217.08699	0.8
227.03514	0.8
229.05148	0.6
235.09726	0.7
243.06796	0.6
252.02905	1.0
253.05046	0.8
255.03000	0.8
255.10362	1.3
261.07883	0.8
265.55942	0.8
271.05939	1.2
280.03882	0.7
281.04807	1.4
281.08279	2.2
282.08905	0.7
297.04575	0.7
297.07748	2.1
298.04904	0.6
299.09412	1.3
301.07230	0.6
301.10855	1.5
309.07733	3.8
327.08749	13.6
353.10373	5.5
371.11383	100.0
372.11646	3.4
397.09357	2.1
415.10382	8.3
429.17374	7.0
661.61517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00345	1.3
67.01893	0.4
68.99805	0.4
71.01029	0.2
71.01388	2.9
72.99318	0.5
73.02940	0.5
75.00889	1.5
75.18541	0.2
81.53255	0.2
82.55255	0.2
85.02959	7.8
87.00890	1.2
89.02443	0.5
95.01401	2.9
99.00893	2.4
102.09909	0.2
103.00354	1.1
111.00904	0.2
112.27858	0.2
113.02463	13.9
115.00372	0.6
117.01964	0.4
123.00877	0.6
129.01939	0.6
136.98845	1.9
139.00394	0.8
141.07126	1.0
143.05020	0.3
145.03032	0.2
151.05571	0.5
157.01431	0.3
157.06586	0.2
166.99866	0.9
167.05048	0.8
169.06590	3.3
171.04596	1.2
171.08160	0.4
173.06073	0.3
175.02495	8.1
185.06062	0.6
195.04559	2.3
196.05280	0.3
197.06120	2.9
199.04080	0.5
207.04523	0.5
213.05576	1.4
223.04027	3.8
225.05560	1.0
240.04272	0.4
241.05107	3.7
249.50610	0.2
251.03500	2.4
268.03519	0.4
269.04568	100.0
270.04865	3.3
311.05560	0.3
343.96066	0.2
445.07788	10.2
609.64606	0.2
920.76508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97014	0.2
63.02402	1.7
65.00330	3.4
67.67132	0.2
68.99816	1.2
69.03468	0.2
71.01388	13.3
72.99317	2.4
73.02957	1.6
75.00882	7.2
75.01317	0.3
76.99612	0.2
83.01390	4.0
84.02176	0.6
85.02958	37.0
86.03294	0.3
87.00884	5.1
89.02454	2.5
91.73773	0.2
95.01394	12.6
98.22708	0.3
99.00888	11.5
101.02442	0.2
103.00386	6.0
107.01400	3.8
108.02202	0.5
109.02956	0.2
110.00069	1.2
111.00902	0.6
113.02460	72.7
114.02785	0.6
115.00381	2.4
115.05540	0.3
117.01952	3.7
117.03422	0.2
119.01375	0.5
122.00074	0.4
123.00893	0.3
125.02420	0.5
126.40265	0.2
129.01961	3.1
133.02997	0.4
134.45763	0.2
136.01659	0.7
137.02431	0.7
137.99583	0.4
139.00392	0.4
139.05530	0.3
141.07114	0.4
143.05116	0.3
145.06606	3.4
151.00381	7.0
157.01447	1.3
161.02477	0.2
163.00386	7.4
164.01201	1.6
165.99086	1.9
169.06615	1.6
171.04544	3.8
172.05304	1.2
175.02493	37.3
176.02852	0.4
177.01959	0.3
180.05807	0.3
182.03719	0.2
183.08173	0.5
184.05290	1.9
185.06125	1.3
187.07677	1.8
193.06541	0.3
195.04478	0.5
196.05304	1.7
198.03261	1.8
211.04036	0.6
211.07631	2.3
211.29875	0.2
212.04773	0.6
213.05592	7.1
223.04089	0.3
224.04668	0.9
227.07100	0.7
239.03496	1.9
240.04294	1.2
253.05104	0.3
255.06645	100.0
256.07007	2.7
267.02972	1.5
268.03784	78.2
269.04300	3.0
283.06137	60.1
284.06476	1.6
297.07816	0.3
333.44443	0.2
431.09879	16.9
432.10272	0.6
459.09332	8.2
460.09714	0.4
576.10693	0.2
891.23285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02406	1.5
65.00328	2.2
68.99827	0.9
70.15475	1.4
71.01388	11.8
72.99312	2.2
73.02953	1.9
75.00877	7.3
75.49795	0.5
83.01390	3.0
84.02141	1.0
85.02958	35.3
86.90429	0.6
87.00895	4.4
89.02458	3.0
89.24184	0.5
95.00817	1.0
95.01395	11.1
99.00890	12.1
101.02477	0.5
103.00377	7.4
107.01412	3.3
107.95805	0.5
110.00122	1.5
111.00882	1.4
113.02459	81.7
115.00388	2.7
117.01235	0.6
117.01913	3.3
129.01990	2.5
136.01651	0.9
137.02504	1.3
139.05559	0.6
141.07143	0.7
145.06596	3.2
151.00366	4.8
157.01440	2.0
163.00389	5.8
164.01196	0.9
165.99123	1.9
169.06618	1.5
171.04501	2.5
175.02490	44.8
176.02782	0.7
183.08264	0.9
184.05319	1.4
187.07680	1.1
196.05287	1.1
198.03302	1.2
211.04045	0.6
211.07661	2.1
213.05614	5.6
224.04865	1.2
227.07024	0.7
239.03519	2.1
240.04364	0.7
255.06647	100.0
256.06955	3.0
266.89938	0.6
267.03006	1.4
268.03790	72.9
269.04147	1.9
283.06140	66.2
284.06430	1.7
431.09854	21.0
432.10150	1.0
459.09375	10.9
694.08398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	5.5
75.00837	1.1
85.02964	10.3
89.02450	1.5
95.01401	3.2
96.05286	1.1
107.05030	1.2
113.02450	10.7
117.03405	1.7
133.02977	17.2
134.03751	4.8
135.04533	40.3
136.98785	1.6
149.42838	1.3
150.56850	1.3
159.04547	1.6
161.02470	27.7
171.04596	2.1
173.06075	3.5
175.03998	1.5
179.03499	27.1
183.04538	1.2
185.05984	3.0
197.06082	2.1
201.05573	3.3
211.04005	6.7
212.04802	2.3
213.05582	4.9
214.02782	3.0
227.03581	2.3
228.04388	2.3
229.05006	5.2
239.03447	7.3
240.04224	2.5
242.02248	14.5
255.02995	1.6
256.03735	3.7
257.04578	100.0
258.04861	3.4
267.03067	2.2
268.03668	2.8
269.04556	24.2
270.04840	2.4
327.08548	1.6
385.07156	2.7
403.08270	21.0
445.07806	4.9
729.20435	23.7
730.20605	1.6
891.23560	53.0
892.24207	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	891.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.4
66.26150	0.7
67.01893	1.2
69.19201	1.8
69.19601	2.2
71.01382	5.3
73.02959	1.4
81.03465	1.2
83.01384	1.3
85.02962	5.3
87.00878	0.8
89.02452	1.1
91.01880	1.8
95.01382	2.2
98.21876	1.8
101.02446	2.6
106.22089	0.8
107.01407	1.7
108.02184	25.2
109.02987	4.3
111.00895	1.3
113.02449	4.7
123.04541	18.3
125.02418	1.0
132.61105	0.7
133.02965	1.6
135.04512	3.4
150.03242	1.1
151.00400	6.7
152.01169	49.1
153.01840	1.7
161.02429	1.9
161.13351	2.8
166.02733	8.8
167.03506	100.0
168.03851	1.9
171.04538	0.8
179.03506	2.4
180.04327	0.9
181.05087	6.3
187.11310	2.6
194.02228	6.9
195.02823	1.0
205.12317	3.1
209.04564	39.9
210.04852	0.9
229.12389	1.2
239.03488	1.7
239.05659	4.7
249.11339	1.4
251.05688	0.9
255.05077	1.4
257.04526	8.1
257.06943	1.1
267.02859	1.4
267.07492	0.8
268.03781	1.6
269.04492	13.8
269.06763	14.1
270.04706	1.3
271.05939	1.5
284.06525	1.3
285.04022	1.0
291.12421	0.9
311.07709	1.3
315.12122	1.4
329.08734	6.5
347.34940	0.8
385.07251	2.1
393.15530	5.1
403.08459	1.7
430.66492	0.8
445.07684	5.3
481.28171	1.8
517.20917	4.5
561.19763	11.8
643.33496	1.2
685.34534	5.7
723.25323	3.2
729.20551	3.0
891.28973	12.7
892.26868	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	893.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	0.9
67.01898	2.1
68.99817	0.6
70.05568	0.4
70.05917	0.7
71.01395	1.8
73.02921	0.4
75.00895	0.7
83.69229	0.4
85.02951	4.4
87.00844	0.7
95.01373	2.0
99.00880	1.1
99.46758	0.3
101.64066	0.3
103.00387	0.8
113.02462	6.3
117.03460	0.6
124.01662	0.7
127.05466	0.4
136.98860	0.6
139.00383	0.9
148.08345	0.4
152.01196	0.6
153.07086	0.8
155.04918	0.7
164.98338	0.4
166.99911	0.8
167.04906	0.4
169.06570	2.2
171.04549	4.1
173.06078	0.8
175.02492	4.1
181.06624	1.0
183.04520	0.4
185.06058	0.8
195.04402	0.6
197.06079	7.8
199.04037	1.0
212.22099	0.3
213.05614	2.0
223.03905	0.6
224.04926	0.8
224.95607	0.4
225.05597	3.7
227.03403	0.4
240.04149	0.6
241.05113	1.8
243.06581	2.2
253.05136	0.5
269.04556	100.0
270.04886	6.3
271.06174	7.1
310.38934	0.4
399.13339	0.3
445.07794	22.7
445.86389	0.4
446.08124	1.3
447.09140	2.4
510.71808	0.4
514.57770	0.5
554.10797	0.4
640.56653	0.4
773.52362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84154	0.2
65.00324	0.6
67.01896	0.6
68.99822	0.2
71.01383	2.0
72.99295	0.2
73.02957	0.3
75.00882	1.1
80.76217	0.2
84.59772	0.2
85.02963	3.6
87.00875	0.7
89.02428	0.4
95.01390	1.5
98.22637	0.8
98.83799	0.2
99.00883	1.4
103.00388	0.5
111.00887	0.4
113.02460	6.1
115.00372	0.4
117.01935	0.3
117.03470	1.1
119.05038	1.2
123.00888	0.3
130.04243	0.2
133.02954	0.4
136.98798	0.9
137.02449	0.2
139.00360	0.8
143.05057	0.5
145.02985	0.9
157.01500	0.2
157.06567	0.5
159.04488	0.2
161.02495	0.3
163.00420	0.2
164.98314	0.8
165.01904	0.2
166.99873	0.5
167.05045	0.7
169.06601	0.7
171.04533	1.2
175.02493	2.7
183.04518	0.4
185.06104	2.0
187.04037	2.3
189.05589	0.3
192.00717	0.6
195.04573	0.5
197.06096	0.5
199.03938	0.4
201.05598	0.3
211.04015	1.1
212.04662	0.4
213.05571	3.9
215.03639	0.5
229.05043	1.4
235.56192	0.2
237.36606	0.2
239.03491	2.1
240.04218	0.6
241.05104	2.0
255.03001	0.7
256.03775	0.4
257.04599	0.7
267.02979	1.1
269.04614	1.6
283.02408	0.8
284.03351	1.4
285.04068	100.0
286.04401	2.4
431.10034	1.0
461.07297	49.2
462.07678	2.0
580.67596	0.2
658.25372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	1.6
65.00333	3.2
69.17870	2.1
69.18266	3.9
71.01391	13.0
72.99315	1.7
73.72640	1.1
75.00866	5.2
78.08264	0.9
83.01405	4.3
85.02959	28.8
87.00901	3.0
89.02466	2.3
95.01402	8.0
95.16132	1.1
99.00904	8.6
103.00400	4.5
107.01418	3.2
110.00105	15.1
113.02460	62.8
115.00378	2.1
117.01947	2.1
129.01987	2.8
135.04514	1.6
137.99591	7.6
145.06621	2.8
151.00375	5.4
161.02536	1.7
165.99095	10.6
169.06625	2.3
171.04546	3.2
175.02502	33.7
179.03455	1.4
185.06172	1.4
211.07704	2.3
213.05626	8.3
214.06233	1.5
221.18172	1.3
231.53174	1.3
242.06110	1.3
255.06645	100.0
256.06982	5.3
268.03833	2.4
269.04489	3.7
270.05338	27.9
271.05771	2.0
283.06442	1.1
285.04489	2.6
285.07700	45.8
311.07977	1.1
369.21387	1.1
431.09824	22.4
432.10306	1.6
461.10739	6.8
893.25439	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	893.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20437	0.3
64.39668	0.3
65.00322	0.5
67.01897	1.9
68.99834	0.5
69.43581	0.9
69.43984	0.7
71.01387	0.7
74.10974	0.3
74.54128	0.3
81.03463	0.3
91.01878	0.5
91.66781	0.3
92.25658	0.3
93.95546	0.3
95.01390	0.9
101.02462	0.5
101.04009	0.3
107.01414	0.5
108.02196	3.4
109.02975	1.8
110.00108	0.6
111.00887	0.5
113.02478	0.6
123.00918	0.5
123.04539	2.9
125.02454	0.6
136.98790	0.5
139.00359	0.7
150.03235	0.4
151.00398	1.0
151.95358	0.3
152.01167	5.3
153.01970	2.3
153.07138	0.3
155.05042	0.5
163.00381	1.9
164.98259	0.5
165.01923	0.4
166.02744	1.2
166.99854	0.4
167.03502	8.0
167.04926	0.6
169.06653	2.5
171.04529	4.3
171.08105	0.4
173.06078	0.9
179.03578	0.3
181.05055	0.8
181.06613	0.9
183.04526	0.8
194.02232	0.4
195.04558	0.7
196.05257	0.4
196.52039	0.3
197.04404	0.7
197.06088	8.4
199.03995	1.1
209.04550	2.6
211.04028	0.4
213.05595	2.1
223.04068	0.5
224.04788	0.7
225.05605	3.4
239.03532	0.8
240.04221	0.8
241.05096	2.6
251.65392	0.3
267.03012	0.7
268.03818	4.6
269.04562	100.0
270.04965	4.1
283.06009	0.3
296.05264	0.3
297.06174	1.0
299.01901	1.1
304.40851	0.3
311.07721	1.3
314.04425	0.4
329.06613	1.3
363.01886	0.6
479.12198	1.6
521.13239	1.1
581.12823	2.5
623.16626	1.4
893.21600	12.9
894.22217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40624	0.7
65.00330	28.2
68.30843	0.7
69.60249	2.8
71.01376	3.7
85.02965	5.4
89.02452	1.7
92.99830	5.8
95.01368	1.4
96.99318	6.6
101.02434	0.8
108.99328	1.0
113.02459	10.0
116.92883	0.9
117.03486	0.8
120.99328	3.6
127.05510	0.9
132.02142	0.8
133.02979	15.7
135.04541	11.1
136.98824	20.7
149.99593	1.6
161.02460	65.1
162.02797	1.5
164.98309	48.0
165.98666	0.9
169.06590	1.3
171.04556	1.8
177.99089	2.1
179.03546	3.7
191.03511	2.5
197.02754	0.8
197.06128	1.5
199.04022	3.4
213.05547	1.3
213.75899	0.7
225.05598	1.4
225.53101	0.9
227.03423	1.7
229.97452	0.8
241.05107	7.0
242.05632	0.7
269.04572	63.1
269.08447	4.2
270.04941	3.2
270.07880	1.7
271.05194	0.9
279.26001	0.8
285.04355	0.9
315.10696	1.3
401.57416	0.7
461.16785	5.1
489.50851	0.8
623.19843	100.0
624.20349	6.0
915.15289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.3
67.63653	0.2
68.22241	0.3
70.25872	0.6
82.00600	1.3
90.03298	0.3
93.03462	0.3
98.22514	0.4
110.00104	12.9
117.03467	2.3
119.05016	2.8
121.02976	0.6
125.02460	0.3
133.02963	0.6
135.04524	0.6
136.01604	0.3
136.98845	0.8
137.02448	2.3
137.99599	5.5
149.02451	0.6
149.15710	0.3
152.01274	0.4
152.52292	0.3
153.01933	1.9
158.03751	0.3
161.02457	4.1
163.00421	0.4
164.01192	1.1
164.04805	0.7
164.98289	1.3
165.00516	0.7
165.01932	11.0
165.99081	12.5
175.00372	0.4
176.01244	0.4
179.03487	2.1
180.04305	4.9
181.01437	1.2
183.04533	0.7
185.02434	0.5
187.04036	0.6
188.04918	0.3
190.02792	0.8
190.99883	0.4
193.01434	0.6
194.05780	0.3
195.04736	0.6
195.06619	5.2
195.08267	0.4
200.04791	1.0
205.05060	1.1
208.03732	0.6
210.05374	1.3
211.04022	0.8
211.07796	0.4
212.04834	2.1
214.02773	1.7
223.04163	0.4
223.06149	1.3
225.07701	2.0
226.02554	0.3
227.03522	1.0
228.04211	0.6
228.21918	0.3
239.03535	0.7
240.04272	1.4
242.02234	0.4
255.03009	1.3
256.03705	0.5
267.03030	0.9
269.04422	0.5
283.02518	4.4
284.03268	51.1
285.03781	1.7
297.04211	0.3
298.04871	2.5
299.05609	100.0
300.05966	3.3
341.06567	0.4
353.08847	0.5
367.10159	0.6
443.09692	0.6
461.10715	1.3
666.15942	2.5
667.16547	2.8
893.25104	11.0
894.25977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54884	2.4
65.00331	18.0
65.99829	3.4
81.03454	4.8
84.94670	2.8
95.01440	3.7
100.63557	2.7
119.60455	3.1
123.04549	25.5
135.03462	2.7
135.04527	17.5
136.00409	4.0
136.98817	11.3
139.00404	3.5
152.01100	3.2
152.07182	11.8
154.08766	4.4
163.99840	5.6
164.98291	18.4
165.00682	3.7
171.04524	8.3
178.99896	3.8
192.03123	3.2
194.09363	13.0
204.03423	3.0
225.05568	4.0
239.01540	2.8
241.05104	20.7
242.08289	18.5
243.06648	11.2
253.04985	3.3
255.06607	3.2
268.06213	16.5
269.04532	61.5
269.07111	5.9
270.05002	5.7
270.07657	29.4
271.06079	21.2
272.14883	2.9
281.04562	3.0
283.06113	6.3
296.05609	25.6
324.05099	17.9
398.14041	4.2
512.13495	7.8
522.11902	16.8
523.12335	5.0
524.13367	4.5
551.12408	14.3
552.12805	3.3
577.20959	100.0
578.21344	8.4
623.21130	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44023	1.0
71.01392	3.3
73.02950	1.4
74.44723	0.9
83.01434	1.2
85.02937	2.2
90.44093	1.1
93.03473	3.2
98.21835	3.0
99.00914	1.3
101.02434	1.4
108.02153	1.8
113.02451	2.1
114.81363	1.4
117.03461	2.1
121.02955	12.6
122.03765	10.4
132.02188	16.6
133.02916	2.9
134.03755	38.1
135.04599	1.2
136.01602	1.5
136.05278	1.5
137.02449	1.8
145.02925	1.7
147.04547	4.2
149.02469	15.4
149.06097	8.2
150.03241	54.7
152.33447	1.2
158.03740	3.8
159.04532	9.1
160.01672	79.1
160.05301	28.7
161.02357	2.6
161.06145	6.1
163.04126	2.3
164.04813	5.4
165.05582	39.7
173.06094	3.3
174.06854	1.3
175.04019	100.0
175.07628	24.3
176.04678	3.8
177.05576	4.1
178.02727	5.0
178.06355	11.8
179.03531	1.3
180.04295	1.9
189.05580	1.6
191.07138	2.3
192.07893	6.0
193.05078	33.7
193.08676	3.4
194.05444	1.3
195.06641	14.9
217.05130	1.6
226.95082	1.2
235.06104	6.1
239.07133	1.4
250.06322	3.1
269.04523	14.1
270.04883	3.1
271.05688	2.0
282.09039	4.1
302.14731	1.3
315.12372	3.9
329.13947	46.0
330.14340	1.9
337.09317	84.2
338.09912	2.8
341.06458	1.8
341.10297	22.4
345.13437	3.0
359.15024	1.5
371.11203	3.7
389.12405	2.2
425.12567	2.2
445.07672	3.1
485.14655	4.7
533.16925	3.3
667.23871	22.6
697.25006	81.7
698.25433	3.5
708.77374	1.4
893.32153	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	894.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25529	2.6
79.95735	2.8
87.47016	0.6
96.96024	66.3
97.95935	1.0
98.21906	1.2
98.95611	1.7
105.98598	0.6
119.05059	0.7
123.29137	0.6
150.24661	0.6
170.00427	0.8
183.01225	23.9
184.01962	1.3
186.08725	0.6
197.02791	3.6
198.03477	0.8
265.14810	59.7
266.15134	15.5
267.14383	1.2
275.65216	0.6
297.15323	100.0
298.15625	3.5
371.49829	0.6
387.00418	0.6
429.61682	0.7
461.42099	0.6
561.24548	0.8
627.21069	1.0
628.21246	4.2
844.50916	0.7
894.36371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	1.5
71.01394	9.6
72.99317	2.7
73.02959	1.2
75.00874	3.4
82.71098	0.9
83.01355	0.9
85.02966	13.2
87.00881	3.6
89.02459	1.4
91.63515	0.9
95.01397	3.6
97.02969	1.1
99.00891	11.7
103.00376	1.4
111.00895	3.0
113.02456	15.7
117.01993	1.3
119.05055	2.7
123.00920	4.5
123.73003	0.8
129.01917	0.9
139.00389	3.8
141.01959	67.2
142.02280	1.4
165.07089	3.1
167.08670	3.9
169.06615	10.8
174.89738	0.8
175.02472	3.1
181.06607	1.9
193.03703	1.1
193.06610	17.3
194.06917	1.1
209.06125	8.3
211.07664	64.2
212.08025	1.4
214.83963	0.8
216.29134	0.9
237.05591	50.4
238.06056	2.1
255.06673	42.5
256.06992	1.2
269.04587	3.1
277.61612	1.1
287.05640	29.9
288.05948	1.0
290.09210	1.1
300.02686	1.5
301.03473	1.9
315.05179	1.8
317.05081	1.3
387.10977	11.2
391.25311	1.0
431.09888	100.0
432.10214	4.8
463.08902	43.7
464.09183	1.7
526.75934	0.8
537.22449	1.0
633.96008	1.0
647.39941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00338	2.0
67.67395	0.3
68.45882	0.4
70.38384	0.4
71.01385	0.4
71.40935	0.5
80.97394	0.4
82.00592	0.6
83.01387	0.8
85.02950	0.6
91.20267	0.4
95.01396	1.4
96.99300	0.5
107.01380	0.5
110.00098	2.7
111.00896	13.2
113.02500	0.7
121.02949	0.6
123.00932	1.8
124.98867	0.4
125.02501	1.1
133.02969	0.8
134.03770	1.0
135.04538	3.8
136.98839	2.3
137.02423	0.7
137.33727	0.3
137.99542	0.7
139.00385	12.9
149.02457	1.1
151.00378	3.0
159.04538	0.9
161.02425	1.0
164.04747	0.5
164.98293	2.0
165.01938	3.1
165.20992	0.4
165.99075	2.2
166.99825	3.3
171.04497	0.6
177.01901	2.1
178.99879	0.9
180.04262	0.8
182.24045	0.4
183.04524	1.1
185.02466	0.7
185.06142	0.6
187.04041	1.1
189.05617	0.9
189.38977	0.4
190.99660	0.4
192.00612	1.0
193.01474	1.3
195.04637	0.4
195.06660	0.8
199.03967	0.4
201.05586	1.0
211.04030	1.9
213.01894	0.6
214.02721	0.5
215.03560	1.5
227.03529	1.3
229.05087	0.8
233.04594	0.6
239.03610	1.8
241.01627	0.5
255.03026	1.3
255.06593	0.7
256.06924	0.5
269.04440	0.8
273.04080	0.6
283.02530	1.4
283.06259	0.4
299.02097	1.7
300.02777	4.4
301.03571	100.0
302.03885	2.2
330.07068	0.5
363.08444	0.4
445.07761	1.3
540.64905	0.4
895.23108	10.1
896.24164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	15.4
68.99830	0.9
69.07224	4.9
77.95524	0.7
91.27032	0.9
92.99828	3.9
95.01415	1.4
96.99316	4.4
108.99344	1.3
110.00125	0.7
111.00883	2.0
120.99322	1.6
123.00901	1.3
124.01653	2.5
124.98785	0.8
136.01707	0.8
136.98822	12.2
139.00349	3.1
141.07095	1.0
148.04073	2.0
152.01205	3.7
157.06506	1.1
161.02390	0.9
162.83368	0.7
164.98305	36.7
165.98744	1.1
166.99847	1.6
169.06595	1.3
171.04514	2.2
173.06067	2.9
176.03531	0.8
177.01862	1.3
177.99075	1.2
185.06110	1.2
189.01956	0.7
197.06056	1.9
199.03967	2.5
199.07582	0.7
201.05615	0.9
209.06157	1.0
213.05629	1.7
220.02557	2.0
224.30209	0.6
225.05569	3.5
227.03496	1.5
227.07208	1.7
241.05034	2.9
243.06625	12.1
248.02022	4.6
253.05063	3.5
269.04559	100.0
270.04971	4.3
270.07477	0.7
271.06128	31.2
297.04016	1.0
299.05634	8.1
309.03961	3.7
315.05096	0.9
323.05621	0.9
325.03473	2.6
326.10522	0.9
327.05154	3.6
352.08292	17.3
354.09698	2.5
495.11099	1.4
497.12546	7.0
513.12006	2.8
523.10394	2.8
541.11432	12.0
568.16266	2.8
580.16156	1.9
606.13971	1.4
623.68951	0.8
624.15546	1.7
643.36206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.25
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38154	2.3
65.68227	2.7
68.64505	2.3
69.34848	6.9
69.35242	3.7
71.01403	15.3
73.02956	5.5
80.91696	10.1
82.09798	2.2
83.01410	2.5
85.02969	7.2
87.00883	6.2
91.01923	4.8
95.01398	3.2
101.02443	7.0
108.02165	5.7
113.02473	9.6
123.04517	24.9
125.02468	6.1
130.21428	2.8
151.00406	4.3
152.01128	14.1
166.02701	12.6
167.03499	100.0
179.53723	2.4
181.05095	6.0
189.01744	5.9
194.02211	5.7
205.98254	4.7
207.02818	6.0
209.04550	89.6
231.02763	5.1
233.23988	3.2
239.05679	17.0
254.64894	2.7
269.06702	10.4
291.04910	36.5
351.07013	3.0
351.37338	2.7
365.10699	3.1
371.10104	13.3
393.08109	36.9
423.08945	4.2
453.10126	11.0
513.12280	3.6
533.15216	3.4
555.13202	56.2
613.85138	3.6
615.14142	21.6
744.42535	2.9
815.25104	12.9
837.22760	64.0
838.22717	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	897.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	0.6
69.16256	3.7
71.01382	1.1
71.49156	0.6
77.03971	0.8
89.03976	0.7
97.13675	0.6
105.03481	0.8
109.32229	0.7
117.03473	1.5
119.05027	1.0
132.02199	7.9
133.02975	57.8
134.03770	8.0
135.04555	9.3
149.06221	0.6
160.01666	8.4
161.02472	100.0
162.02814	1.2
175.04028	7.5
178.02734	0.7
179.03502	4.5
190.57394	0.6
193.05098	3.0
227.98120	0.7
269.38470	0.7
294.59637	0.6
359.10696	0.6
402.52859	0.6
470.30319	0.7
487.25952	0.6
491.15289	0.9
667.20343	1.0
679.22247	1.0
721.23773	5.5
855.27112	1.5
897.28326	30.8
898.28381	2.5
911.07336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76194	0.3
65.00324	2.0
69.94961	1.2
71.01382	2.5
72.99325	0.5
75.00894	1.9
83.26661	0.3
85.02966	6.4
87.00890	0.5
89.02459	0.7
95.01382	2.3
99.00896	2.3
101.02426	0.4
103.00381	1.3
113.02461	15.6
115.00384	0.6
117.01926	0.7
123.00905	0.5
125.02473	1.7
126.02795	0.4
136.98802	2.0
137.29736	0.3
139.00391	1.0
141.07126	1.0
151.05539	0.5
160.01677	0.8
164.98303	3.0
166.99934	0.5
167.04976	0.5
169.06544	2.6
171.04517	1.0
175.02513	9.3
175.03903	0.5
177.99077	0.4
179.05054	0.4
195.04492	1.3
197.06148	1.9
199.04128	0.5
201.91658	0.3
203.69403	0.4
213.05579	1.2
223.03944	2.3
225.05598	0.8
227.03444	0.4
239.03574	0.5
241.05095	2.9
251.03471	2.1
255.54112	0.3
267.03049	0.6
268.03448	0.7
269.04568	100.0
270.04883	4.3
271.05820	0.5
272.06369	0.4
297.04007	1.1
327.08786	1.1
407.04495	0.8
445.07788	12.3
446.08197	0.7
448.09766	0.5
821.91779	0.4
853.45453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	1.9
71.01395	4.7
71.31087	2.1
73.02928	8.2
79.95741	1.6
83.01376	2.9
85.02946	1.9
88.98803	3.0
93.66581	1.3
96.96004	2.5
100.14676	1.7
101.02447	15.8
113.02460	2.4
119.05031	2.2
132.30495	1.7
136.04036	1.6
138.14351	1.4
155.21277	1.3
161.04544	3.5
203.05647	4.5
208.10329	1.4
217.51923	1.7
292.83450	1.5
469.33112	9.3
487.34335	100.0
488.34601	6.2
529.35352	6.2
853.45264	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	898.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30623	0.6
79.95728	2.2
95.95295	0.4
96.96020	68.5
118.74777	0.3
128.17374	0.3
162.00858	0.3
265.14807	100.0
266.15109	1.9
423.92560	0.3
459.21170	0.3
530.07581	0.3
578.26752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	1.6
73.15016	1.4
95.64883	1.3
113.02513	1.9
130.41574	1.6
136.98834	3.8
139.00456	1.7
139.04044	1.5
150.99304	1.4
151.00510	1.8
158.24536	1.6
164.98352	4.9
177.36475	1.4
180.00713	1.8
245.08226	5.1
255.03064	5.6
281.04449	1.7
283.02505	54.7
285.04068	2.0
297.04010	2.4
298.04834	39.5
299.01917	2.3
309.65576	1.6
313.07208	100.0
314.07590	3.7
352.86508	1.6
393.02927	68.2
394.02872	2.1
879.46967	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.299
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29625	0.9
63.93606	0.6
71.01378	2.9
71.41059	0.9
73.02957	7.7
83.01383	2.0
85.02948	1.0
89.02447	1.3
96.96022	0.9
101.02439	4.4
113.02468	1.0
161.04503	1.2
191.33401	0.7
217.05043	0.8
261.07822	1.4
269.04614	0.7
285.11310	1.1
300.13754	0.9
301.14532	5.9
313.07373	0.8
315.12418	1.0
327.16016	3.2
329.13852	4.7
330.14716	1.0
344.67114	0.8
345.17093	51.8
346.17435	2.6
361.16516	1.1
387.18164	0.7
389.16144	5.4
404.18582	4.0
405.19226	100.0
406.19583	5.3
471.61801	0.8
591.24634	5.3
716.44501	0.8
718.26849	0.7
771.31055	3.7
813.31909	24.6
814.32678	2.0
934.56976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60946	0.8
71.01369	0.3
79.95775	0.8
98.22614	0.3
133.06633	0.5
171.10249	0.4
183.01212	3.5
184.02051	0.8
197.02795	21.2
198.03574	8.5
199.16196	0.3
209.11754	0.4
211.04317	0.5
211.13509	0.6
216.00920	0.3
230.02548	2.9
283.13760	100.0
284.14066	2.6
341.23334	1.5
396.16537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	3.1
69.44455	11.3
69.88884	2.5
71.01391	100.0
71.02259	2.9
72.99321	3.5
73.02957	36.7
83.01401	11.7
85.02959	46.6
87.00907	7.1
89.02458	57.3
94.46889	3.2
95.01393	16.9
96.93575	2.6
96.96024	40.1
97.02953	4.5
99.00903	4.7
101.02452	48.2
113.02463	94.0
119.03529	23.3
124.01673	5.1
125.02451	9.4
127.04115	2.5
129.45903	2.3
131.03455	2.9
137.68629	2.7
143.03522	13.9
149.04601	3.9
161.04625	19.7
179.05626	12.9
310.03317	3.4
327.21698	3.6
328.22055	2.5
331.28738	2.6
345.17078	16.9
404.17566	2.8
405.19254	31.5
406.19992	2.8
464.85632	3.4
503.72067	2.7
531.33148	4.2
549.34503	8.6
693.38617	39.8
711.39679	73.2
712.39996	6.2
729.40808	20.6
753.40961	25.8
771.42212	33.8
813.31451	5.9
883.29077	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	905.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96814	0.2
65.00353	0.3
71.01397	0.2
71.41604	0.3
72.99318	0.3
79.95745	2.5
80.96537	0.7
82.53621	0.2
97.13766	0.2
110.00100	3.1
111.00922	1.2
113.02448	0.4
118.16053	0.2
118.80115	0.2
125.02431	0.3
134.03728	0.7
135.04549	1.7
135.28680	0.3
137.99571	2.3
138.00337	0.2
139.00395	1.9
153.01979	2.2
164.98277	0.3
165.99097	5.4
173.23546	0.3
178.99815	0.3
179.03590	0.3
181.01471	0.8
184.98199	0.2
192.00548	0.3
193.01340	0.3
201.01953	0.3
211.04079	0.4
227.03488	0.4
228.04411	0.3
236.98192	0.2
255.03047	0.3
256.03796	0.8
283.02502	0.5
298.01227	0.8
300.02783	32.6
301.03180	1.7
313.03604	2.5
315.05142	69.8
316.05466	2.4
350.07758	0.3
395.00812	100.0
396.01138	3.0
465.10040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.0
67.01891	1.9
68.99818	0.4
69.12430	0.3
71.01390	3.6
72.99302	0.9
73.02927	0.4
75.00861	1.3
85.02962	6.0
87.00890	1.5
89.02450	0.6
95.01395	2.4
97.02950	0.4
98.21875	1.1
99.00897	2.4
103.00369	0.8
110.00062	0.4
111.00845	0.3
113.02458	10.3
115.00353	0.6
117.01954	0.6
117.03405	0.5
123.00897	0.5
127.05553	0.4
129.01913	0.5
136.98810	1.1
139.00311	0.8
141.07089	1.1
145.02962	0.4
153.07115	0.5
155.05055	0.7
157.06651	0.4
163.00334	0.5
164.98328	0.8
165.01955	0.4
165.99080	0.6
167.05037	0.5
169.06607	3.4
171.04552	4.2
173.06068	0.7
175.02496	5.4
181.06599	0.9
183.04547	0.9
184.05231	0.4
185.06073	0.4
195.04581	0.9
197.06090	8.8
198.06302	0.3
199.04025	1.5
201.05585	0.4
212.04768	0.3
213.05557	1.9
223.04027	1.3
224.04709	0.9
225.05579	3.3
227.03445	0.6
239.03528	1.0
240.04308	1.2
241.05064	3.7
251.03510	0.7
267.03146	1.4
268.03775	10.7
269.04559	100.0
270.04837	2.2
283.06113	7.5
283.09006	0.6
383.07767	0.4
445.07776	46.5
446.08130	1.5
459.09247	1.5
640.91040	0.4
917.33539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	2.7
66.05495	0.6
69.58488	2.7
71.01389	2.3
75.00877	1.0
76.79253	0.7
85.02964	5.6
87.00880	1.6
92.99804	0.6
95.01390	1.9
99.00909	2.7
103.00373	1.3
105.45819	0.6
113.02468	9.7
129.01996	0.8
136.98799	1.9
139.00389	0.9
164.98347	3.5
169.06639	1.8
171.04576	1.5
175.02507	5.1
195.04573	1.4
197.06065	2.5
213.05690	1.0
223.04041	2.4
225.05547	1.0
227.93010	0.6
239.03548	1.3
240.03902	1.0
241.05040	2.2
251.03455	2.0
267.02975	3.2
268.03693	8.2
269.04559	100.0
270.04910	2.4
283.06125	4.4
314.33649	0.7
445.07776	41.4
446.08084	1.3
466.34555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67981	0.3
65.00330	3.1
67.01887	0.8
68.99805	0.3
69.44591	0.3
71.01392	3.1
72.99303	0.5
73.02927	0.3
75.00871	1.3
84.02229	0.4
85.02950	7.4
87.00880	1.1
89.02448	0.4
92.99821	0.5
95.01389	2.9
96.99308	0.7
98.33344	0.3
99.00882	2.2
99.81441	0.3
103.00375	1.5
110.00092	0.5
111.00883	0.4
113.02458	16.1
115.00340	0.4
117.01951	0.7
120.99307	0.6
123.00839	0.4
124.01718	0.3
129.01950	0.5
134.03719	1.2
135.04109	0.4
136.98808	3.4
139.00412	0.6
141.20871	0.3
145.02979	1.3
151.05502	0.3
153.90138	0.3
155.05121	0.3
163.00377	0.9
164.98303	4.4
165.99039	0.4
167.03555	0.4
167.04939	0.5
169.06616	2.5
171.04535	2.7
173.02364	0.6
175.02495	8.3
183.04634	0.4
188.03040	0.3
193.05054	0.9
194.05458	0.4
195.04544	1.3
196.05266	0.5
197.06117	2.9
199.03986	0.6
211.03946	0.5
213.05553	1.5
223.04015	2.3
224.04688	0.4
225.05559	1.6
239.03516	4.8
240.03909	1.3
241.05223	2.8
251.03535	1.5
267.03003	7.6
268.03696	10.3
269.04559	100.0
270.04868	2.3
283.06140	6.7
285.07419	0.4
319.06253	0.4
349.94986	0.3
436.10657	0.3
445.07788	20.3
446.08392	0.5
459.09338	0.8
544.13275	0.3
590.13965	0.4
859.32135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20796	1.0
71.01391	1.3
71.41896	1.2
84.75671	1.0
88.98811	100.0
89.02441	1.2
105.64022	1.0
110.80265	1.1
123.04518	2.6
140.69264	1.0
167.03487	7.3
209.04579	2.4
259.58585	1.2
408.19412	1.1
449.80124	1.1
815.24615	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	905.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05972	5.6
87.77667	6.3
88.71575	6.3
102.53319	5.9
116.65954	6.2
161.52315	5.9
169.91743	6.2
171.10283	17.7
193.12376	8.2
198.48932	5.3
232.73413	7.2
251.29852	6.8
291.61703	5.9
293.21317	43.4
311.22336	100.0
312.22638	8.1
347.19989	43.6
436.33865	6.5
491.38370	7.0
625.33057	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	907.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99986	0.4
65.00329	7.7
71.01393	1.0
72.99275	0.7
74.95592	0.2
75.00835	0.2
79.00554	0.2
85.02551	0.2
85.02964	2.3
89.02457	0.2
95.01403	0.9
99.00869	0.5
101.03960	0.3
103.00343	0.5
106.08824	0.2
108.99323	0.5
110.00116	0.3
111.00925	0.2
113.01736	0.4
113.02467	5.5
128.87276	0.2
136.98822	13.6
139.00360	0.7
139.05569	1.2
143.05083	1.0
145.03020	0.2
147.04443	0.2
161.02296	0.2
164.98320	0.4
165.99078	0.2
167.05006	0.6
169.06566	0.6
171.04495	0.7
175.02518	2.9
179.75407	0.2
183.04564	0.3
192.57729	0.2
193.03589	1.1
195.04485	0.6
197.06067	0.3
209.84615	0.2
211.04094	1.5
213.05571	0.3
223.04050	0.5
239.03523	32.9
240.03889	0.6
241.05008	0.7
251.03580	0.3
257.04559	0.5
267.03015	100.0
268.03409	2.8
269.04584	16.8
270.04965	0.5
281.04630	0.4
284.03378	1.4
285.04095	6.3
299.05588	2.5
309.04102	0.3
339.19760	0.2
435.84683	0.2
443.06186	2.4
445.07751	2.5
461.07242	1.5
461.11896	0.8
627.65729	0.2
659.27380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92062	0.4
65.00301	0.9
71.01376	0.6
85.02969	1.9
95.01414	1.5
99.00900	2.1
110.00074	0.6
111.00893	5.8
113.02462	1.7
119.05042	3.6
123.00898	2.7
124.65777	0.4
125.02471	1.0
136.98788	0.8
137.02521	0.6
139.00395	8.5
143.05020	0.5
151.00363	3.0
158.20927	0.4
161.02339	0.7
164.92223	0.5
164.98262	1.0
165.02013	0.8
165.99002	0.6
166.99878	2.0
167.05057	0.7
173.06093	0.6
175.02414	0.5
185.06100	0.7
192.00745	0.6
194.99309	2.5
195.04485	0.8
199.03964	0.8
213.05598	0.8
217.05075	0.5
223.03983	2.1
225.01930	1.1
237.40381	0.4
239.03563	1.3
242.02220	0.5
262.37036	0.5
267.03000	1.0
285.04074	100.0
286.04419	1.9
299.05627	2.4
445.91397	0.5
461.07300	44.0
462.07880	1.3
570.91608	0.5
628.67407	0.6
754.99603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.6
67.80566	0.4
68.99834	0.6
71.01371	0.6
71.41245	0.4
85.02955	2.5
86.54102	0.4
95.01405	1.2
99.00877	2.6
107.51133	0.4
110.00152	0.5
111.00890	6.7
113.02443	1.8
117.03451	0.5
119.05029	3.7
123.00899	2.9
125.02454	1.1
133.02992	0.6
136.98802	1.1
137.02408	0.5
139.00394	8.3
143.04945	0.6
151.00392	3.4
161.02449	0.6
164.98335	1.4
165.02000	0.5
165.99051	0.7
166.99886	2.6
169.06543	0.5
171.04474	0.8
171.52707	0.4
173.06093	0.6
175.02509	1.1
185.06126	0.9
190.99950	0.7
192.00774	0.5
194.99355	3.3
195.04471	0.5
197.06114	0.5
199.04027	0.6
213.05643	1.0
217.05095	0.6
223.04007	2.4
237.39284	0.5
239.03548	0.9
241.05074	0.5
242.02151	0.5
267.02969	1.1
269.04468	0.6
283.02493	0.8
284.03250	1.0
284.50098	0.4
285.04071	100.0
286.04456	2.0
299.05698	4.0
461.07306	42.6
462.07648	1.2
702.21814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	7.0
67.31537	0.4
70.65338	0.4
71.01389	2.6
72.99354	0.5
73.27538	0.4
75.00869	1.2
81.85342	0.5
85.02966	5.5
87.00904	0.8
88.31999	0.4
88.43813	0.4
92.99832	0.8
95.01414	2.2
96.99316	1.4
99.00882	2.1
103.00375	0.7
107.01393	1.5
108.31229	0.4
113.02465	13.4
115.00393	0.5
117.52942	0.4
120.99303	0.6
123.00881	0.4
129.01927	0.6
133.02937	0.8
135.04567	1.2
136.98837	6.8
139.00433	1.1
141.07065	0.7
143.05040	0.6
151.00395	2.9
161.02452	0.5
161.99382	0.4
164.98299	9.0
166.99860	0.6
169.06644	1.3
171.04527	0.8
172.28810	0.4
175.02522	6.1
177.98981	0.6
179.03468	0.6
185.06087	0.7
195.04520	1.1
197.06137	1.4
199.04048	1.7
211.04042	0.6
213.05647	0.7
223.04036	2.2
225.05576	0.8
227.03658	0.6
239.03510	6.6
240.04024	0.7
241.05090	2.7
251.03568	1.7
257.04532	1.9
267.03024	17.1
268.03412	1.4
269.04572	100.0
270.04919	3.4
284.03317	0.6
285.04074	31.1
286.04425	1.1
297.04031	3.6
299.05652	2.0
312.06775	0.5
327.08774	5.0
407.04398	4.1
419.07675	1.0
445.07770	8.8
461.07330	7.8
462.08252	0.7
483.37311	0.5
745.20270	0.9
756.26025	0.5
845.44128	0.5
907.22821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	7.6
67.01865	0.5
68.99818	0.5
69.47353	0.4
71.01385	2.6
72.99298	1.0
73.02955	0.5
75.00881	1.3
77.58501	0.4
85.02952	8.0
87.00891	0.9
88.87931	0.3
89.02454	0.7
89.03053	0.3
95.01394	3.7
99.00904	2.3
101.04000	0.4
103.00388	1.3
110.00114	2.0
111.00881	0.6
111.85778	0.4
113.02460	18.5
115.00426	0.7
117.01945	0.8
117.03426	0.6
118.80779	0.4
119.05035	0.6
123.00866	0.4
129.01926	0.6
136.98813	15.1
137.99622	1.1
139.00391	1.3
139.05528	1.1
141.07101	0.6
143.05022	1.1
145.02928	0.8
153.01904	0.4
161.02443	0.6
164.98357	0.7
165.99042	1.9
166.99805	0.7
167.05016	1.2
169.06638	3.2
171.04514	1.7
173.06099	0.4
175.02495	10.8
185.05981	0.6
187.04025	0.9
193.03523	0.9
195.04521	1.8
196.05251	0.4
197.06091	1.9
211.03970	1.2
212.04681	0.4
213.05603	1.6
223.04027	2.8
225.05475	0.7
235.41191	0.4
239.03505	33.6
240.03973	1.6
241.05067	2.5
251.03494	2.1
267.02991	98.9
268.03378	4.5
269.04553	100.0
270.04874	3.2
281.04495	0.6
283.02509	1.2
284.03275	9.7
285.04034	14.9
299.05597	22.9
300.05783	0.7
309.04172	0.5
388.90698	0.4
443.06201	2.5
444.05676	0.4
445.07733	13.4
461.06204	2.7
461.10840	9.9
514.98810	0.4
578.98181	0.4
791.84045	0.4
815.14325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	7.0
67.31537	0.4
70.65338	0.4
71.01389	2.6
72.99354	0.5
73.27538	0.4
75.00869	1.2
81.85342	0.5
85.02966	5.5
87.00904	0.8
88.31999	0.4
88.43813	0.4
92.99832	0.8
95.01414	2.2
96.99316	1.4
99.00882	2.1
103.00375	0.7
107.01393	1.5
108.31229	0.4
113.02465	13.4
115.00393	0.5
117.52942	0.4
120.99303	0.6
123.00881	0.4
129.01927	0.6
133.02937	0.8
135.04567	1.2
136.98837	6.8
139.00433	1.1
141.07065	0.7
143.05040	0.6
151.00395	2.9
161.02452	0.5
161.99382	0.4
164.98299	9.0
166.99860	0.6
169.06644	1.3
171.04527	0.8
172.28810	0.4
175.02522	6.1
177.98981	0.6
179.03468	0.6
185.06087	0.7
195.04520	1.1
197.06137	1.4
199.04048	1.7
211.04042	0.6
213.05647	0.7
223.04036	2.2
225.05576	0.8
227.03658	0.6
239.03510	6.6
240.04024	0.7
241.05090	2.7
251.03568	1.7
257.04532	1.9
267.03024	17.1
268.03412	1.4
269.04572	100.0
270.04919	3.4
284.03317	0.6
285.04074	31.1
286.04425	1.1
297.04031	3.6
299.05652	2.0
312.06775	0.5
327.08774	5.0
407.04398	4.1
419.07675	1.0
445.07770	8.8
461.07330	7.8
462.08252	0.7
483.37311	0.5
745.20270	0.9
756.26025	0.5
845.44128	0.5
907.22821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12117	0.8
65.00322	2.0
69.22547	2.2
69.22958	2.9
71.01403	4.8
73.02956	1.5
73.37727	0.9
81.03451	2.6
83.01406	1.5
85.02965	4.5
86.93694	1.0
91.01891	2.6
95.01400	2.4
97.02967	1.2
97.63719	0.9
98.21878	1.5
101.02438	3.2
107.01386	7.7
108.01487	1.4
108.02198	19.2
109.02969	6.0
110.00099	3.3
111.00892	1.9
113.02462	5.3
121.02958	1.6
122.03739	2.7
123.00882	3.2
123.04534	16.2
124.01685	1.3
125.02470	4.0
127.36369	1.1
135.04486	1.4
137.99580	1.5
139.05659	0.8
139.30963	1.0
150.03224	2.4
151.00394	13.5
151.03949	1.1
152.01184	32.6
153.01953	9.5
155.03450	1.0
155.04987	0.8
159.82994	1.0
163.00392	12.3
165.01874	1.4
165.99057	2.9
166.02728	11.4
167.03505	63.3
171.04509	2.0
175.02467	2.2
181.05104	5.9
184.05292	2.8
194.02238	6.3
195.02979	1.8
196.05290	2.3
198.03267	2.0
209.04553	60.2
210.04903	1.5
211.04018	1.7
224.04839	4.5
234.64023	1.0
239.03490	7.8
240.04185	1.7
243.06625	1.2
251.05635	1.6
253.05025	2.8
263.25302	1.2
267.03040	9.7
268.03784	100.0
269.04391	11.5
269.06708	10.4
270.04868	1.8
271.06207	5.2
282.05316	2.8
283.06134	71.4
284.06549	1.5
296.05377	3.7
297.06244	6.4
301.03452	3.0
309.12640	1.0
311.07748	40.7
372.40347	1.2
445.07593	1.3
447.09229	1.7
479.12009	21.6
511.04651	1.0
521.12933	19.2
563.14105	2.9
595.14648	19.4
596.14520	1.4
623.16248	23.8
728.60193	1.1
820.02209	1.2
838.51282	1.1
907.22748	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	907.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.7
67.60747	0.3
71.01395	0.4
80.41876	0.4
81.76331	0.4
83.01378	0.8
83.94143	0.3
95.01368	1.0
99.00887	0.4
101.02393	0.5
102.98579	0.4
107.01431	0.5
111.00880	5.6
113.02451	0.8
123.00880	1.6
125.02464	0.7
133.02960	1.0
135.04555	2.0
136.98804	1.2
139.00392	7.2
149.02394	0.5
151.00349	1.1
159.04538	0.7
161.02507	0.7
164.98279	1.5
166.99895	3.4
177.01924	1.4
183.04433	0.5
185.06137	0.5
187.04056	0.7
189.05690	0.4
192.00662	0.4
201.01889	0.6
201.05624	0.6
211.04053	1.3
215.03529	0.9
227.03609	0.7
229.05086	0.7
233.04602	0.6
239.03430	1.3
255.03000	1.1
269.04562	1.1
283.02463	1.8
283.05206	0.6
285.04053	4.7
286.04309	0.5
299.02011	0.9
300.02173	0.7
301.03555	100.0
302.03876	4.6
303.04099	0.7
380.99249	53.3
381.99503	2.3
382.99149	0.8
421.16464	0.4
461.07285	1.4
599.64758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	3.3
69.05924	3.6
69.06351	4.3
71.01373	1.6
77.04160	1.0
82.10889	1.2
88.64040	1.1
91.01299	1.0
95.99409	1.0
98.21885	2.1
109.02965	1.7
117.03485	2.0
121.02985	1.8
128.94235	1.1
135.04539	1.8
136.98811	9.7
137.02443	16.9
146.95810	1.2
149.02455	9.2
150.03227	4.8
152.01186	1.5
153.02016	1.7
161.02460	1.4
162.03258	1.5
164.04831	6.8
164.98302	9.9
165.01947	79.3
166.02547	1.9
175.00412	7.5
176.01151	6.5
179.03516	9.3
180.00667	2.2
180.04298	42.9
181.05042	3.1
183.04514	6.3
185.02446	2.0
190.02736	17.5
191.03516	8.5
194.02245	2.0
194.05830	2.9
195.02959	1.9
195.06645	43.3
203.03604	1.2
205.05074	20.3
206.05725	1.1
207.03047	1.7
209.04527	5.5
209.08205	5.0
210.05386	8.1
211.04041	4.6
211.05905	1.3
215.03548	1.4
223.06140	7.6
223.07971	1.1
225.05626	1.0
225.07689	23.0
226.02803	2.1
227.03566	1.9
239.03526	2.6
251.05666	1.4
255.03046	20.8
265.07278	1.6
269.04544	4.9
270.07782	1.9
283.02505	97.9
284.03012	4.7
297.04037	10.7
298.04846	100.0
299.05283	3.6
311.05627	3.1
312.06418	6.4
313.07196	74.3
314.07690	2.0
353.08710	9.0
355.08313	2.3
367.10339	17.9
507.22729	1.4
680.17487	29.3
681.18304	86.4
682.18762	4.3
735.19403	3.2
907.26605	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	908.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35036	0.4
73.15549	0.4
79.95769	0.8
84.59180	0.3
130.29843	0.3
183.01250	1.6
197.02797	23.1
198.03548	3.0
211.04404	1.3
230.02496	1.1
267.10529	0.4
310.15622	0.4
311.16904	100.0
312.17282	2.4
446.01645	0.4
674.21387	0.4
866.48816	0.4
902.44269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	20.7
66.00676	0.3
68.99833	0.3
71.01398	0.3
75.00875	0.3
78.00243	0.2
82.00626	0.4
85.02971	1.2
87.00863	0.2
92.99827	3.6
93.03481	0.3
95.01385	0.4
96.99316	4.5
98.22692	0.6
99.00903	0.4
107.01413	0.2
108.99294	1.1
110.00105	2.7
111.00903	5.1
113.02436	2.4
113.03159	0.2
117.03507	0.3
119.05044	34.1
120.05394	0.6
120.99323	2.5
133.02994	0.7
136.98827	19.6
137.99448	0.2
139.00392	10.7
143.05048	0.6
145.02974	0.3
151.00375	0.5
163.00366	0.2
163.04082	0.2
164.98311	73.0
165.99098	7.2
175.02504	1.3
175.03888	0.4
182.99326	0.3
185.06050	0.6
187.04033	2.8
189.05626	0.2
197.06079	1.0
199.04015	0.8
213.05553	0.5
217.05074	0.7
228.26155	0.3
239.03513	0.4
241.05173	0.4
255.03011	1.0
256.03406	0.4
257.04605	6.0
267.03036	0.3
282.88385	0.2
283.02579	1.9
284.03040	1.1
285.04080	100.0
286.04462	2.4
287.05640	0.2
315.03595	2.4
323.04395	0.3
327.04901	0.3
341.01498	3.1
364.99695	0.4
445.07904	0.7
447.09357	6.5
448.09717	0.4
451.48819	0.2
461.02490	0.2
461.07401	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	909.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99538	1.5
65.00304	0.6
67.52322	0.5
68.99823	9.9
70.27380	0.6
71.01378	0.9
74.79385	0.5
85.02949	1.5
89.02443	1.0
92.99824	5.8
95.01397	0.9
99.00885	53.4
100.01167	0.6
110.00092	1.8
111.00897	1.1
113.02468	1.7
123.00896	61.0
133.99136	0.6
137.99591	0.9
139.00378	2.4
140.33620	0.5
141.01917	0.7
152.01210	1.0
153.01932	0.9
163.00357	0.6
164.98512	0.6
165.99104	2.2
166.99840	2.5
167.03574	0.6
167.04984	1.2
171.04538	3.5
194.99358	93.7
195.99771	1.1
223.04051	1.4
225.05556	0.6
239.03511	1.3
243.06580	4.0
243.20688	0.6
253.05017	1.0
257.04776	0.7
267.02985	6.3
269.04489	1.4
270.05344	2.6
270.55560	0.6
271.06134	14.8
285.04105	8.7
285.07065	1.1
286.04434	4.2
287.05341	2.5
299.05615	100.0
300.05832	2.8
301.03622	1.1
313.03580	0.9
433.11407	33.4
434.11990	1.6
461.07227	2.6
462.07605	1.6
463.08670	6.5
609.14600	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	909.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	5.1
71.01377	5.8
85.02956	6.4
89.02452	2.8
90.15852	0.6
95.01391	1.7
96.39587	0.6
101.02444	0.9
111.00848	0.7
113.01718	1.2
113.02455	13.2
117.03499	1.2
119.03500	0.8
119.05012	1.1
123.04517	1.3
132.02168	1.1
133.02966	23.3
135.04530	15.5
136.98827	2.1
141.01953	1.0
141.03445	2.9
141.07085	2.4
157.33409	0.6
160.57677	0.7
161.02457	78.6
162.02769	1.3
164.98296	2.9
169.02931	1.2
169.06607	8.6
171.04556	3.2
173.06050	0.8
179.03456	4.7
185.02498	1.1
197.02802	3.0
197.06099	7.2
198.03560	1.9
199.03831	0.6
213.01920	1.7
213.05617	4.9
229.13460	0.8
241.05080	8.8
269.04550	4.6
285.00394	8.8
285.04022	5.0
285.07980	11.8
287.05508	1.4
315.10886	1.5
461.16754	5.4
498.94125	0.7
623.19836	100.0
624.20197	2.9
624.29791	0.8
892.13031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	15.8
67.74490	0.3
69.13024	1.2
69.13428	0.7
70.23101	0.3
71.01389	0.7
85.02964	1.7
89.02428	0.3
92.99826	4.1
95.01410	0.6
96.99322	5.5
99.00910	0.4
103.00404	0.3
108.99327	0.9
110.00103	0.3
111.00884	0.7
113.02456	3.5
120.99307	1.8
122.00153	0.3
123.00873	0.4
124.01703	0.6
136.98817	13.1
139.00383	0.6
149.99567	0.4
151.00322	0.6
152.01228	0.3
164.10934	0.3
164.98302	35.4
169.06551	0.4
171.04538	0.6
173.06116	0.4
175.02515	2.0
177.99069	1.5
193.03581	0.5
197.06076	1.0
199.04015	2.3
209.78703	0.3
213.05566	0.9
225.05602	1.2
227.03558	1.7
241.05121	2.8
243.06699	1.7
268.03122	0.4
269.04562	100.0
270.04971	2.0
271.06091	4.3
276.46536	0.3
285.04126	2.6
286.04404	1.2
287.05667	2.2
301.03589	0.5
311.05576	0.5
322.46991	0.3
445.07813	2.7
447.09177	0.9
447.97000	0.3
463.08768	0.5
841.69879	0.4
880.77826	0.4
890.71466	0.3
911.23065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	2.2
68.99815	0.8
71.01386	2.6
72.99309	1.1
75.00876	1.0
83.01390	1.3
85.02956	6.5
85.10417	0.3
87.00845	0.7
89.02434	0.9
93.03444	1.1
95.01394	4.5
99.00888	2.5
103.00386	1.2
107.01391	1.4
109.02971	0.9
111.00877	3.2
113.02457	15.8
117.01944	0.8
119.05041	15.9
123.00876	1.9
124.01646	0.7
125.02451	0.6
129.01907	0.5
133.02963	5.7
135.00768	0.5
136.01625	0.5
136.98807	2.9
137.02400	1.0
138.99298	0.7
139.00389	10.9
141.01941	1.5
145.02957	0.6
147.21384	0.4
149.02443	1.6
151.00383	5.4
153.01956	17.5
157.01363	0.4
164.98294	1.6
166.99873	16.6
171.04546	0.5
173.06036	0.5
175.02487	9.9
175.04042	2.6
177.01939	0.4
181.01445	8.8
185.06033	0.5
187.04008	0.5
189.05455	0.5
193.01434	2.7
193.03525	2.0
198.03114	0.6
199.04065	2.4
201.01912	0.9
201.05594	0.7
213.05650	0.7
215.03339	0.6
217.05077	2.0
223.04108	0.5
225.05655	0.4
241.00752	0.4
241.05048	2.2
243.02977	0.6
243.06581	1.0
256.03857	0.7
259.06152	2.2
269.04611	4.1
283.02670	0.5
284.03290	4.3
285.04065	100.0
286.04486	3.2
287.05627	78.9
288.05978	1.6
317.04941	0.7
327.05084	0.9
447.09360	92.0
448.09766	3.2
463.08871	35.8
464.09204	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	911.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00347	1.6
66.40503	0.7
68.99826	1.2
69.48492	4.0
71.01389	3.6
72.99300	1.2
73.02937	1.2
75.00913	0.9
79.05325	0.9
83.01413	1.9
85.02956	6.5
87.00878	1.2
95.01386	4.7
98.22579	1.2
99.00896	2.3
103.00379	2.1
107.01422	1.6
109.02972	1.3
111.00894	3.5
113.02464	16.8
114.91561	0.9
119.05032	16.6
123.00917	3.1
127.21044	0.8
133.02957	7.5
136.98798	2.4
139.00381	11.5
141.01917	1.7
145.02994	1.3
149.02444	2.2
151.00363	6.4
152.01125	1.3
153.01956	18.4
164.98372	1.5
166.99867	14.7
175.02489	12.1
175.04025	2.6
181.01451	10.5
193.01472	1.5
193.03462	1.6
199.04027	1.9
201.05627	1.2
217.05014	1.9
227.03522	1.2
241.05115	2.4
243.06718	1.2
256.03625	1.1
259.06134	3.2
269.04596	5.6
284.03244	5.0
285.04077	100.0
286.04410	3.5
287.05640	85.7
288.05969	2.1
327.04846	1.1
447.09372	95.9
448.09857	4.9
463.02213	2.0
463.08847	39.8
464.09210	1.3
508.32019	1.0
560.39490	1.0
801.04633	0.9
948.00909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59398	3.0
69.32791	10.3
69.33190	5.2
71.01377	5.9
72.99294	4.9
82.37594	2.4
85.02956	4.8
95.01379	4.8
99.00893	11.9
111.00896	27.3
113.02467	8.7
114.32214	3.1
118.79868	3.1
118.95882	2.9
123.00902	7.9
135.04552	4.9
138.02028	3.4
139.00371	42.7
140.03564	6.3
141.00850	4.8
141.01964	95.4
153.01886	2.8
161.02472	12.9
199.03893	3.2
216.30161	3.8
217.05106	3.8
255.10417	3.0
264.11850	2.6
275.43561	2.9
285.04095	8.6
301.03613	7.5
303.05124	79.2
318.32050	3.4
378.73895	3.5
431.11084	13.8
458.10397	3.4
479.08429	100.0
480.08707	5.3
584.68799	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	911.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	17.2
66.00661	0.9
71.01389	3.5
71.44923	0.6
78.52691	0.5
85.02958	4.3
89.02446	0.7
92.99820	2.4
95.01371	2.7
96.99316	4.5
98.21848	2.0
100.69077	0.6
101.02468	0.7
108.99315	1.1
111.00935	1.0
113.02471	8.3
117.03470	0.5
119.05021	0.7
120.99325	2.0
123.04551	1.0
124.01643	1.7
132.02240	0.7
133.02971	22.5
135.04553	8.9
136.98822	15.6
141.03531	0.5
149.99670	0.7
151.45491	0.5
152.01266	0.7
153.05661	0.8
161.02461	69.9
162.02829	1.9
164.98299	38.8
165.98744	1.6
171.04483	1.3
173.06050	1.8
177.99112	1.1
179.03578	1.3
184.21149	0.5
185.96228	0.5
191.01868	0.5
197.06079	1.6
199.04024	2.8
201.01962	0.8
213.05551	1.3
225.05571	1.7
227.03543	1.6
241.05092	4.5
242.02237	0.9
243.06610	1.7
269.04565	69.1
270.04855	1.5
285.00867	0.9
285.04092	2.9
286.00815	0.9
286.04388	1.4
287.02106	2.5
287.05612	25.6
288.05960	1.0
355.38477	0.6
461.16818	4.0
623.19830	100.0
624.20135	8.2
625.20435	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	911.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40630	0.8
69.20869	3.8
69.21271	1.6
70.27136	0.8
71.01381	1.4
74.88517	0.8
81.44994	0.8
89.03929	1.1
90.24054	0.8
98.21879	1.7
100.30634	0.8
117.03492	2.5
119.05025	2.1
122.03721	1.4
123.04487	1.6
132.02188	28.4
133.02994	5.2
134.03764	25.6
135.04520	2.9
137.06049	1.6
139.03947	0.8
149.06036	2.9
152.04761	1.7
155.84772	0.9
160.01683	100.0
161.02460	8.8
167.07152	1.9
175.04028	86.8
176.04358	1.1
178.02759	1.9
179.03462	1.3
193.05070	14.2
254.37494	0.9
255.02965	2.0
259.05896	0.9
276.92041	0.8
285.03906	1.9
445.07996	1.5
447.09042	1.2
459.50446	1.0
487.16061	2.6
505.17035	2.8
626.29425	0.9
627.72748	0.9
632.45306	1.0
681.21918	12.0
735.25085	2.3
791.24988	2.0
869.28778	5.9
911.29694	28.7
912.30396	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	0.6
67.01886	0.5
68.99825	0.3
71.01397	1.4
72.99325	0.3
75.00885	0.8
79.01916	0.2
83.01374	0.6
85.02958	3.8
87.00896	0.4
93.03462	0.3
95.01398	2.2
98.21824	0.4
99.00886	1.6
103.00378	0.7
107.01407	0.4
110.00118	0.2
111.00888	7.6
113.02460	6.6
115.00352	0.4
117.01932	0.2
117.03464	1.1
119.01382	0.2
119.05035	4.0
123.00887	2.2
124.98788	0.2
125.02479	1.1
133.02966	0.9
135.00911	0.2
136.98811	1.2
137.02457	0.7
139.00386	8.6
141.01936	0.2
143.05013	0.7
145.06548	0.4
151.00377	2.0
157.06560	0.4
159.04535	0.2
161.02449	1.6
164.98268	1.2
165.01929	0.6
165.99112	0.3
166.99872	4.2
167.05032	0.5
169.01413	0.2
169.02899	0.2
169.06609	0.9
171.04555	0.8
173.06091	0.6
175.02496	4.3
175.03970	0.3
178.99959	0.4
179.05003	0.2
185.02480	0.2
185.06107	1.6
187.03976	0.5
189.05487	0.3
192.00700	0.4
195.04501	1.0
197.02563	0.2
197.06081	0.5
198.03215	0.3
199.03989	0.9
211.04010	0.7
213.05579	0.7
215.03622	0.2
217.05086	1.1
223.04047	1.5
225.01845	0.5
239.03473	1.0
241.05096	0.7
242.02144	0.2
243.03070	1.1
257.04623	0.4
267.02817	0.8
285.04065	100.0
286.04370	2.2
297.04160	0.2
327.05093	1.0
357.06207	0.5
461.07300	22.2
462.07892	0.8
503.57266	0.2
517.32855	0.2
707.74091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.9
66.00981	0.7
67.01900	0.9
71.01390	3.7
71.41430	0.8
72.99323	1.4
75.00871	1.1
83.01395	1.8
85.02958	7.0
87.00887	0.8
89.02434	1.0
93.03453	1.0
95.01405	4.8
99.00882	2.9
101.02431	0.9
103.00372	1.0
109.02963	1.2
110.00116	0.7
111.00887	2.8
113.01720	1.4
113.02458	18.1
115.00401	1.0
119.05031	20.7
123.00891	2.5
125.02424	1.6
129.01955	0.9
131.03503	0.6
136.98811	3.6
137.02373	1.1
139.00391	13.0
141.01968	3.5
145.79317	0.6
153.01955	24.2
157.01433	0.7
164.98294	1.8
166.98453	1.0
166.99876	21.1
173.06021	0.8
175.02498	12.6
175.03986	1.4
181.01434	11.3
181.02956	0.5
193.01482	2.0
193.03474	2.5
197.15210	0.7
241.05016	0.7
243.06677	1.2
259.06030	3.8
269.04562	5.3
271.02457	2.7
285.04047	4.1
286.04398	3.1
287.05634	100.0
288.05936	2.3
300.02744	8.5
301.03577	8.7
317.05191	1.0
421.05450	0.7
463.08868	87.5
464.09070	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	917.273
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.4
67.01891	0.6
69.18756	0.6
69.19161	1.6
71.01394	1.7
72.95105	0.3
72.99342	0.4
73.02957	0.5
75.00879	0.9
79.30984	0.4
85.02961	3.7
87.00856	0.6
95.01392	1.5
99.00898	1.1
103.00370	0.4
111.00892	0.4
113.02470	4.2
115.00347	0.6
117.01937	0.4
117.03479	1.1
119.05066	0.5
125.02550	0.3
136.98831	0.4
137.02443	0.7
139.00328	0.4
143.05040	0.8
145.02959	1.6
163.00389	0.8
164.01147	0.6
167.05051	0.5
169.06631	0.7
171.04518	1.6
175.02553	2.0
185.06120	2.4
187.04016	3.5
189.05569	0.7
190.99883	0.4
192.00684	1.2
197.06100	0.6
211.03978	0.5
213.05582	5.7
215.03499	0.6
217.05016	0.6
229.05083	1.8
239.03491	1.1
240.04292	0.7
241.05061	3.2
255.03223	0.7
256.03903	0.6
257.04581	1.7
283.02515	1.4
284.03244	2.5
285.04068	100.0
286.04379	2.4
396.30573	0.3
461.07303	65.6
462.07590	2.1
606.16547	0.4
755.58887	0.4
865.01459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	0.9
71.01384	2.2
72.79163	0.4
72.99313	0.5
73.02972	0.5
74.25846	0.4
75.00861	0.7
85.02966	2.8
87.00877	0.7
88.08816	0.4
89.02436	0.5
93.03465	0.6
95.01405	1.3
99.00883	1.4
109.02947	0.4
113.02473	3.8
115.00369	0.5
117.03474	1.1
119.05045	0.5
136.98837	0.4
137.02452	0.5
143.05090	0.6
145.02959	1.3
159.04413	0.4
163.00368	0.5
165.01947	0.6
167.04996	0.6
169.06624	0.7
171.04533	1.5
174.69118	0.4
175.02457	1.2
182.46191	0.4
185.06050	1.9
187.04013	3.6
189.05493	0.4
190.99910	0.5
192.00748	0.9
197.06061	0.7
212.90767	0.4
213.05574	6.9
215.03581	0.9
229.05025	1.7
239.03445	0.9
240.04259	0.6
241.05029	3.0
255.03140	0.6
257.04568	1.5
267.02982	0.4
283.02383	1.1
284.03287	3.1
285.04071	100.0
286.04443	3.1
461.07315	64.7
462.07794	2.6
646.56628	0.4
647.21771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
76.04530	0.5
79.95756	0.7
89.02441	0.8
124.62751	0.5
125.02505	0.6
130.40860	0.6
148.95702	0.5
178.08983	0.6
183.01308	2.8
184.01991	0.7
189.72296	0.6
197.02783	20.1
197.04578	1.2
198.03549	3.6
209.11824	2.7
211.04251	0.8
225.05823	0.7
230.02403	0.8
259.15430	0.6
271.12933	0.7
277.21774	1.9
311.16943	4.3
325.18442	100.0
326.18643	3.1
397.13721	0.8
433.03229	0.6
556.78717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.474
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78589	0.2
70.79225	0.2
79.95709	1.1
86.07250	0.2
92.68349	0.2
96.96004	0.2
103.56339	0.2
119.05046	0.2
170.00430	0.7
171.80627	0.2
179.80118	0.2
183.01221	20.2
184.01976	1.1
197.02791	4.8
198.03604	1.3
209.11835	0.2
211.04425	0.2
216.01033	0.2
230.02397	0.2
244.00099	0.2
247.20764	0.5
250.09416	0.2
277.21677	0.2
311.16895	100.0
312.17233	2.3
325.18607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	8.5
71.01363	0.4
85.02946	1.0
91.24670	0.1
95.01356	0.5
95.37713	0.1
99.00847	0.4
101.03958	0.3
102.48053	0.2
108.99287	0.7
110.00034	0.2
113.02468	1.3
127.42004	0.2
136.98814	16.1
139.05536	1.3
139.86723	0.2
143.05069	1.0
163.90315	0.2
165.99100	0.3
167.05025	0.7
171.04538	0.2
171.28867	0.1
175.02525	0.8
180.51961	0.2
183.04509	0.3
183.49283	0.2
193.23586	0.2
195.04485	0.3
211.04039	1.4
239.03503	42.6
240.03885	1.3
241.05031	0.6
253.05228	0.2
267.02997	100.0
268.03317	3.9
269.04535	0.6
284.03223	1.4
299.05554	1.4
309.04147	0.3
443.06229	0.7
475.08624	0.2
693.39301	0.2
766.89862	0.2
772.59058	0.2
803.98151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53516	0.5
67.01906	0.9
68.99815	0.6
69.44138	2.5
71.01377	1.7
72.99310	0.9
75.00848	1.1
85.02973	3.2
92.92144	0.5
94.25922	0.5
95.01378	1.4
99.00891	1.5
113.02463	3.5
117.03470	1.6
119.04995	0.6
127.07703	0.6
143.05020	0.8
145.02979	1.8
157.06570	0.7
163.00404	0.7
165.01941	0.6
167.04967	0.8
169.06592	1.0
171.04544	1.7
175.02502	2.0
185.06094	2.2
187.04010	3.4
192.00583	1.0
197.06058	0.9
199.04033	0.8
213.05576	6.3
215.03580	1.2
217.04904	0.7
229.05139	1.9
239.03403	1.0
240.04489	0.6
241.05057	3.5
255.03029	1.0
257.04523	1.1
283.02502	1.4
284.03305	2.6
285.04077	100.0
286.04468	4.5
287.04700	1.1
291.05185	0.6
333.40131	0.5
348.42322	0.7
425.72534	0.6
461.07306	65.2
462.07782	3.3
641.74988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.8
69.32774	0.6
69.33171	1.0
71.01392	1.6
73.02952	3.8
83.01380	1.0
85.02951	0.3
85.47682	0.3
89.02446	0.7
101.02451	2.9
107.01405	1.2
109.02931	0.3
113.02462	1.1
121.10227	0.3
125.02409	0.4
133.02965	6.1
143.03397	0.4
147.34799	0.2
149.02472	1.5
149.04518	0.5
151.00388	5.7
161.04587	1.2
175.04004	3.0
177.02037	0.4
198.03299	0.3
199.04050	2.0
201.01945	1.0
213.05605	0.5
215.03571	0.3
217.05061	1.4
221.06758	0.7
227.03409	0.5
241.05093	1.2
243.02982	1.1
255.03044	0.7
256.03726	1.3
257.04382	0.4
267.02994	0.3
283.02451	1.1
284.03293	4.7
285.04062	96.4
286.04428	3.3
327.05191	0.8
329.77539	0.3
347.87698	0.3
394.91232	0.3
445.07941	0.5
447.09341	100.0
448.09628	3.6
654.31885	0.3
700.31592	0.3
752.40552	0.3
822.29388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11971	1.1
71.01385	0.5
79.95737	1.5
80.96534	0.2
92.77559	0.2
95.95252	0.4
96.96021	68.6
125.41074	0.2
127.76490	0.2
164.11464	0.2
169.28796	0.2
171.10277	0.2
176.90215	0.2
265.14807	100.0
266.15118	2.1
453.61603	0.2
483.57599	0.2
521.40894	0.2
919.48956	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	1.6
67.01894	1.0
68.99822	1.1
69.73553	1.6
69.73917	0.9
71.01389	10.3
72.99300	2.5
73.02953	0.9
75.00877	8.5
75.07617	0.5
82.00615	1.2
83.01401	0.8
84.02187	0.8
85.02956	42.4
86.65329	0.5
87.00885	5.1
89.02441	2.3
95.01396	14.1
98.21862	0.7
99.00888	13.1
101.55260	0.6
103.00377	6.2
104.02898	0.5
110.00104	13.8
110.00874	0.8
111.00863	0.8
113.02459	100.0
113.34055	0.5
115.00392	2.0
117.01932	4.0
119.05035	3.5
122.00047	0.5
123.00935	0.6
129.01944	2.2
136.98813	1.6
137.99602	7.7
139.00398	0.8
141.07054	0.6
149.46805	0.5
153.01956	1.7
157.01431	1.7
160.32823	0.5
164.01190	0.8
165.99078	15.4
166.99883	0.5
167.05025	0.7
169.06645	1.8
171.04506	1.1
175.02490	63.6
181.01331	0.8
183.04565	0.5
187.03990	0.9
188.29927	0.5
195.04558	1.6
197.06088	2.3
200.04758	1.1
211.03979	0.8
212.04808	2.1
213.05614	0.9
214.02663	1.8
214.80737	0.6
218.58694	0.5
223.03995	2.1
225.05551	0.6
227.03517	0.7
239.03360	0.8
240.04178	1.1
241.05095	1.4
251.03456	1.3
267.03027	2.1
268.03348	0.9
269.04572	61.1
270.04907	1.5
272.37064	0.5
283.01871	0.5
284.03281	54.3
285.03589	1.1
299.05621	98.1
300.05963	2.1
445.07764	5.1
469.16953	0.7
475.08881	14.2
476.08560	0.6
538.63892	0.5
624.96246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	7.9
66.38696	0.5
87.97932	0.5
92.46293	0.4
92.99815	1.7
96.00940	0.7
96.99319	1.5
110.00072	1.1
110.02458	2.8
120.99325	0.7
122.02523	1.0
122.05060	0.4
123.03307	3.3
134.02495	2.7
135.03256	3.8
136.00424	1.5
136.98839	5.1
138.01968	1.4
151.02757	3.9
155.02299	0.8
157.06602	0.5
164.98312	11.4
165.00496	0.5
165.99039	0.8
166.01442	0.7
171.04526	2.7
192.03023	2.1
200.07205	1.2
225.05666	0.8
226.08757	1.4
228.06673	0.9
241.05020	2.8
242.08246	30.6
243.08647	1.3
252.06606	0.8
254.05756	0.7
265.08865	0.6
267.03040	0.8
268.06143	0.6
269.04575	22.7
270.05539	3.8
270.07739	100.0
271.08173	3.3
338.10345	2.2
374.49100	0.5
380.12592	14.3
381.13062	0.7
429.27945	0.5
439.70306	0.5
442.06735	0.5
522.11700	1.2
523.12878	0.6
668.95319	0.6
778.33447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	0.9
69.17963	1.3
71.01385	2.5
75.00880	0.9
81.28661	0.2
83.01395	0.3
85.02954	4.9
87.00866	0.6
89.02444	0.5
93.03456	0.2
95.01392	2.2
96.99318	0.2
98.22711	0.3
99.00887	1.3
103.00359	1.1
111.00877	0.3
113.02460	10.0
115.00353	0.3
117.01949	0.8
117.03505	0.6
119.05044	2.2
123.00957	0.4
129.01933	0.4
133.02977	0.6
136.98820	1.8
137.02448	0.4
139.00359	0.8
139.28656	0.2
151.00395	0.5
157.06587	0.5
159.04527	0.4
164.98270	2.2
165.99100	0.4
166.99872	0.3
167.05055	0.7
171.04562	0.5
173.06062	0.4
175.02501	6.5
175.03912	0.4
178.24791	0.2
181.00378	0.2
182.12119	0.2
183.04494	0.3
185.06134	1.2
187.04056	0.3
199.03993	0.4
201.02074	0.3
201.05632	0.2
211.04033	1.4
212.74571	0.2
213.05591	1.5
223.87872	0.2
228.67422	0.3
239.03511	2.0
241.05005	0.8
247.58180	0.2
255.03021	0.8
255.70859	0.2
257.04526	0.3
267.03018	1.6
283.02463	1.3
284.03204	0.3
285.04059	100.0
286.04407	2.7
327.05002	0.7
401.73209	0.2
461.07288	21.3
462.07797	0.7
471.00113	0.2
583.84570	0.3
684.10150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	1.6
68.99821	1.1
69.81084	1.6
69.81449	0.8
71.01392	11.5
72.99309	1.6
73.02933	1.2
73.35215	0.5
75.00884	6.3
80.38510	0.4
82.00629	1.5
83.01389	1.3
85.02958	32.5
87.00882	4.0
89.02452	1.8
93.03446	1.7
95.01398	11.3
97.06532	0.5
98.22598	0.7
99.00887	11.4
101.02493	0.6
103.00385	5.1
107.01417	1.6
110.00102	8.6
110.00771	0.8
111.00894	1.3
113.02463	75.1
114.02783	1.2
115.00381	2.2
117.01972	3.9
117.03473	2.8
119.05037	7.3
124.01678	1.7
129.01924	2.2
136.98807	1.5
137.02434	1.3
137.99596	4.1
138.84587	0.7
139.00397	2.4
149.02454	0.9
151.00349	1.3
152.01160	1.9
157.01433	2.0
159.04535	1.4
161.02521	0.7
165.99091	16.5
166.99870	6.3
169.06580	0.9
175.02499	54.5
176.02951	0.6
180.00636	4.1
181.01456	9.2
183.04520	0.8
192.00699	1.0
197.06129	1.1
197.09564	0.7
201.05571	0.9
207.02951	1.3
211.54716	0.5
225.05617	1.5
229.05203	0.5
230.05818	1.1
269.04578	100.0
270.04834	2.8
286.04852	40.4
287.05164	1.7
301.07202	66.1
302.07480	1.9
395.08224	0.6
445.07785	21.7
446.07895	0.7
477.10443	27.2
478.10712	1.0
514.12817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	7.3
66.79366	0.5
67.01889	0.5
67.12009	0.6
67.65189	0.5
68.99828	0.6
71.01383	10.7
71.42629	0.6
72.99305	2.1
73.02936	1.0
75.00885	4.5
80.20094	0.6
83.01400	5.9
85.02959	30.1
87.00883	4.4
89.02454	2.3
90.21322	0.5
93.03466	6.3
94.32153	0.6
95.01398	11.0
97.96346	0.6
99.00892	9.4
103.00392	6.3
107.01407	12.5
111.00880	0.6
113.02464	73.7
114.02822	0.9
115.00387	1.8
116.67727	0.6
117.01974	3.7
118.63978	0.6
118.64754	0.7
119.05038	33.9
121.02934	0.8
125.02448	1.2
129.01936	2.2
143.05069	0.7
145.02921	1.7
151.00381	57.0
152.00674	1.0
157.01447	1.5
161.06087	1.5
163.00380	3.0
164.01195	0.7
165.01936	2.0
169.01422	0.9
175.02493	54.8
176.02853	0.8
177.01955	5.3
185.06085	1.4
187.04039	2.1
200.04810	0.8
215.93652	0.6
227.03406	1.0
227.07198	1.6
228.04141	0.7
229.05202	0.6
255.02965	1.1
269.04562	1.6
270.04886	0.8
271.06131	100.0
272.06549	3.6
283.02557	0.7
284.03278	30.0
285.03760	1.7
299.05630	20.7
300.05872	1.3
447.09357	68.0
448.09641	3.5
475.08829	2.3
773.12268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	1.9
67.01891	0.6
68.99813	1.0
69.35440	0.4
69.80959	1.1
69.81351	0.7
71.01389	11.4
72.99318	2.1
73.02946	1.3
75.00879	5.7
77.82371	0.4
82.00600	2.1
83.01402	0.6
84.02177	0.5
85.02958	30.7
86.03279	0.5
87.00879	3.8
89.02468	1.5
90.79733	0.5
93.03459	1.5
95.01388	11.2
99.00893	10.5
101.65713	0.4
103.00388	5.3
106.71230	0.5
107.01410	1.7
110.00105	10.5
111.00888	1.0
113.02460	73.0
114.02787	0.8
115.00410	2.1
117.01990	3.0
117.03472	4.1
119.05043	7.5
122.71281	0.4
124.01679	1.9
125.99632	0.5
129.01958	2.0
136.98830	0.8
137.02434	1.1
137.99597	4.4
139.00368	2.5
144.94597	0.5
145.02951	0.7
149.02432	1.0
151.00409	1.7
152.01141	1.9
152.28429	0.4
157.01434	1.4
159.04538	1.8
161.02432	1.3
165.34731	0.4
165.99092	18.0
166.99876	6.6
169.06660	0.6
175.02496	49.1
175.46014	0.4
176.02753	1.0
178.99841	0.7
180.00653	4.5
181.01439	7.8
181.06560	0.4
183.04520	0.6
192.00673	0.9
193.01312	0.5
197.06171	0.9
201.05611	1.3
207.03041	0.9
224.04863	0.5
225.05621	1.5
227.03580	0.6
230.05832	1.4
258.05334	0.6
268.03925	0.5
269.04565	100.0
270.04852	3.5
274.82568	0.4
286.04858	35.2
287.05219	1.6
301.07193	65.2
302.07437	2.4
315.44235	0.5
343.08188	0.6
355.90994	0.5
389.61172	0.5
445.07797	20.3
446.08170	1.2
477.10403	24.6
478.10748	1.3
535.38452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29829	0.7
65.00328	17.3
66.00646	0.7
66.79122	0.7
69.31449	0.7
92.99829	1.7
96.99342	1.5
108.99336	0.8
111.00903	3.1
113.02452	2.1
113.18253	0.9
115.93665	0.6
117.03455	1.0
120.99383	0.9
123.04568	0.9
133.02966	10.9
135.04489	3.9
136.98814	16.9
137.99187	0.8
139.00380	3.7
141.03510	0.8
147.04568	0.9
148.57358	0.6
151.00395	1.0
155.05067	1.1
157.02948	1.6
159.04550	1.0
161.02429	8.0
164.98306	17.1
165.99089	1.0
167.03513	1.1
169.03008	1.1
171.04521	2.2
173.02393	1.8
175.03973	1.8
179.03542	2.8
183.04532	1.5
185.02364	1.3
187.04042	1.5
191.03534	1.6
199.04034	8.0
201.01956	12.0
202.02135	0.9
211.04080	1.2
213.01938	1.6
225.01978	0.9
226.02505	1.2
227.03514	7.5
229.01691	0.8
231.02933	1.0
243.03061	1.9
255.02992	2.2
257.04617	4.5
269.00977	3.2
269.04462	3.8
270.01340	1.9
271.02512	17.0
280.17792	0.8
285.04065	19.1
286.04608	1.2
297.00479	7.4
298.00748	5.6
299.02002	100.0
300.02466	4.7
435.07635	1.3
461.07492	2.5
611.19537	0.9
621.18732	1.6
623.19611	7.2
761.19427	1.4
923.22772	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	923.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	1.4
68.99805	0.4
71.37053	0.3
81.03452	0.5
82.00607	1.2
85.02953	0.6
91.01864	1.0
101.02428	0.7
103.57870	0.3
107.01378	1.0
108.02180	3.1
109.02962	1.2
110.00105	15.8
111.00896	0.6
113.02464	0.7
113.44315	0.3
115.09701	0.3
117.03474	2.5
118.06544	0.3
119.05051	2.9
123.00896	0.4
123.04530	2.3
125.02418	0.9
136.98781	1.0
137.94640	0.4
137.99603	7.8
138.01306	0.3
139.00400	0.5
151.00375	1.6
152.01138	4.4
153.01936	4.3
161.02457	3.1
163.00378	0.6
164.01147	0.9
164.98274	1.1
165.99083	16.5
166.02753	1.1
167.03511	9.0
175.02448	0.4
181.01427	0.8
181.05045	0.7
183.04556	0.6
185.02443	0.6
187.04051	0.9
188.04855	0.5
194.02176	0.7
196.05260	0.5
200.04816	1.6
209.04556	6.4
211.04047	1.0
212.04828	2.4
214.02739	2.4
216.04387	0.5
227.03470	1.1
228.04395	0.5
239.03510	0.6
240.04283	1.7
255.02966	1.6
256.03781	0.4
266.02164	0.5
267.03036	1.0
269.06668	1.2
271.06201	0.9
283.02502	3.1
284.03281	68.6
285.03815	2.5
296.05368	0.5
297.06155	1.2
298.04871	1.3
299.05621	100.0
300.05972	2.0
311.07764	3.8
326.04541	0.5
341.06799	0.4
345.96661	0.4
435.44092	0.4
443.10425	0.7
464.43839	0.4
479.11935	3.2
521.13086	3.0
563.14301	0.8
611.14111	21.5
612.14795	0.7
623.16260	4.7
904.62640	0.5
923.22443	11.0
924.22693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28460	0.6
69.22151	0.5
71.40893	1.0
87.12745	0.6
117.03421	3.2
151.00395	0.6
154.04265	1.9
178.99869	1.7
186.25490	0.6
189.10388	0.6
198.03172	0.8
226.02713	7.7
227.03409	0.9
235.04169	0.7
238.02690	1.5
253.05138	1.0
254.02216	2.9
258.01663	0.7
266.02258	1.1
269.04559	8.8
273.17032	0.6
283.06024	0.6
297.04056	82.5
298.04367	2.0
312.03220	0.5
312.06387	15.4
327.08746	89.7
328.09134	2.0
407.04428	100.0
408.04694	2.6
418.82889	0.6
547.50592	0.6
795.65680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	2.2
67.16637	0.5
70.79406	1.3
71.01391	4.6
72.99329	0.9
75.00893	1.1
83.01450	0.8
85.02961	12.4
87.00887	0.9
89.02486	0.8
93.03469	1.2
95.01410	5.1
99.00881	4.4
103.00381	2.2
111.00902	3.5
113.02464	24.7
113.03270	1.5
117.01953	0.8
117.03475	1.2
119.05044	14.9
123.00903	2.1
124.01657	0.7
129.01944	1.4
136.98842	5.0
137.02440	0.9
139.00378	9.7
141.01953	1.0
145.02959	1.2
151.00360	0.9
153.01953	14.9
157.01453	0.8
164.98334	5.5
165.99120	0.8
166.99881	14.3
171.04510	0.8
175.02501	18.8
181.01424	8.3
185.06128	1.3
193.01524	1.5
193.03511	1.6
195.04482	0.7
201.05536	0.8
211.04005	1.5
213.05617	2.0
239.03537	2.0
241.05107	1.3
243.06633	1.1
259.06100	2.2
267.02917	0.9
269.04568	4.0
285.04071	100.0
286.04416	12.2
287.05637	76.6
327.05200	0.9
440.10526	0.7
461.07297	21.4
462.07455	1.7
463.08841	42.3
791.71417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	2.1
68.99831	1.1
69.69090	0.7
71.01381	5.0
72.99320	1.9
73.02953	1.0
75.00871	2.4
82.69264	0.8
83.01402	1.7
85.02958	13.2
87.00870	2.5
89.02481	1.0
93.03446	1.6
95.01390	7.5
99.00898	6.2
103.00378	2.2
109.03010	0.8
111.00885	4.2
111.17665	0.9
113.02464	27.9
117.01960	1.8
117.03429	1.1
119.05042	22.4
123.00922	4.1
123.85376	0.7
124.01625	0.9
127.84304	0.7
129.01941	1.2
136.98828	5.7
137.02455	1.4
139.00394	16.1
141.01906	1.3
145.02986	1.0
145.55933	0.8
153.01959	24.7
164.98283	3.6
166.99876	20.8
175.02502	19.0
181.01439	12.6
183.04512	0.9
185.06108	2.3
187.04047	1.7
189.05597	0.8
193.01421	3.1
193.03539	2.8
201.05550	1.6
211.03990	3.5
211.91884	0.8
213.05576	2.7
220.75090	0.7
230.34047	0.8
239.03493	3.3
241.05161	2.0
243.06683	1.4
259.06067	3.8
267.02924	1.7
269.04608	5.9
285.04074	99.5
286.04431	10.0
287.05643	100.0
288.05844	1.8
347.49722	0.9
461.07330	17.4
462.07593	1.8
463.08847	51.1
464.09128	0.8
944.50244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	3.5
67.05743	0.4
67.53233	0.5
69.52235	1.6
69.52634	0.8
69.61089	0.5
71.01392	2.2
73.02938	0.9
85.02959	6.1
87.00883	1.3
89.02438	1.0
95.01389	2.8
99.00893	2.0
101.02434	0.6
103.00383	1.2
104.40900	0.5
109.02991	1.4
110.00112	1.3
111.00857	1.4
113.02463	12.7
115.00426	0.6
117.03460	0.9
119.05022	4.1
123.00874	1.4
133.02979	3.7
134.03760	0.6
135.04538	1.5
136.98810	5.5
137.02464	2.0
139.00386	4.2
139.58678	0.5
149.99634	0.7
151.52473	0.5
153.01949	1.7
159.04573	0.5
161.06071	0.5
163.00391	0.6
164.01202	0.6
164.98318	1.9
165.01901	0.8
165.99098	1.4
166.99875	3.2
167.04932	0.8
171.04547	1.0
173.02328	0.6
174.03174	0.6
175.02493	6.3
175.03911	1.0
181.01440	0.8
183.04536	0.5
185.06070	1.9
187.04070	0.9
188.04800	0.9
192.00694	0.6
193.12839	0.5
199.03986	1.3
200.04730	0.8
201.01945	1.5
201.05692	1.3
211.04018	2.5
213.02049	0.5
213.05602	1.6
216.04317	1.0
226.46733	0.5
227.03441	1.7
228.04337	1.4
229.04874	1.0
239.03534	2.6
240.04216	0.8
241.04991	0.8
243.03017	0.8
244.03726	0.6
255.03123	2.5
256.03592	0.9
257.04578	0.8
267.02994	1.2
269.04285	0.6
271.02460	0.8
272.03293	0.5
283.02521	2.5
284.03000	1.3
285.04077	77.2
286.04404	10.8
287.05496	8.3
299.01984	2.1
300.02774	44.4
301.03546	48.1
313.03647	1.7
314.04230	1.2
315.05112	1.4
343.04562	1.2
437.16888	2.4
443.15738	1.0
461.00882	0.7
461.07352	12.0
462.07770	2.3
463.08862	100.0
464.09250	4.5
470.77072	0.6
519.07214	0.6
575.67139	0.6
631.23340	0.6
678.04852	0.6
915.75299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00309	5.9
69.80316	3.5
69.80666	8.1
71.01373	4.7
80.93571	2.5
85.02967	5.0
95.01427	2.4
96.99313	3.6
111.00882	5.5
113.02441	13.1
132.02197	3.9
133.02974	35.5
135.04565	20.9
136.98839	5.9
139.00368	8.7
161.02458	100.0
162.02791	2.9
164.98320	9.9
179.03493	4.2
199.04027	3.2
201.01888	4.7
229.05110	11.2
246.94571	2.6
257.00769	2.3
271.02451	5.3
299.02002	24.1
300.02655	56.5
301.03165	33.7
390.93680	2.5
461.16672	3.0
623.19843	92.9
623.30249	4.4
624.20184	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	925.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50597	0.7
64.78394	0.6
66.32652	0.5
68.75523	0.6
68.99821	2.3
69.88232	1.9
71.01389	24.5
72.99316	2.3
73.02955	1.2
75.00880	3.2
83.01398	3.5
85.02959	12.2
87.00896	0.7
89.02455	12.5
95.01403	7.7
96.91924	0.6
97.02993	1.4
99.00883	4.1
101.02451	8.2
108.56267	0.6
112.01668	1.6
113.02460	12.6
119.03517	2.5
139.00359	1.5
149.66849	0.6
157.01413	1.7
161.86476	0.7
165.13969	0.6
256.22549	0.7
286.85953	0.6
346.95029	0.6
367.06659	0.7
437.34323	1.5
453.33969	3.4
455.35364	5.1
501.64615	0.7
523.37726	0.7
533.36810	0.7
537.35889	2.5
549.36047	2.3
551.37415	3.2
569.38171	3.0
745.40894	0.8
793.43750	1.0
887.67078	1.0
925.48132	100.0
926.48376	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	927.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06284	4.5
70.91277	0.8
77.12814	0.8
79.95745	3.9
88.62219	0.8
98.21862	1.6
111.22555	0.8
117.03444	4.4
154.04274	1.8
171.96860	0.8
173.67258	0.8
178.99910	2.1
203.45761	0.9
226.02742	6.7
233.23555	0.8
235.03848	0.8
238.02768	1.3
252.73647	0.8
253.05197	1.0
254.02109	2.6
268.03793	20.8
269.04538	8.3
283.06192	9.2
285.04095	1.1
297.04056	82.7
298.04178	4.0
312.06439	16.4
327.08759	95.1
328.09088	3.8
363.01813	23.9
396.85358	0.9
407.04437	100.0
408.04724	3.4
870.19885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.0
69.57929	2.0
71.01395	3.1
72.99293	1.1
73.02966	0.6
75.00860	1.2
83.01389	1.6
85.02963	6.9
87.00887	0.7
88.35947	0.5
89.02434	1.0
93.03442	1.4
95.01396	5.9
99.00887	2.7
101.02452	0.7
103.00369	1.7
109.02941	0.7
111.00880	3.6
113.02455	18.8
116.88966	0.6
117.01929	0.9
119.05033	18.4
123.00882	2.8
124.01639	1.2
136.98824	2.9
137.02446	0.8
139.00381	12.8
141.01971	1.3
145.02986	0.8
152.01100	0.7
153.01942	24.1
157.01370	0.5
164.98347	0.7
166.99875	17.5
175.02490	14.0
181.01442	10.9
189.05537	0.9
193.01546	2.6
193.03535	2.1
193.69263	0.5
201.05681	1.1
228.82297	0.5
241.05096	1.1
243.06654	1.1
259.06192	1.9
269.04504	5.2
279.10748	0.6
285.04233	0.6
287.05621	100.0
288.06003	2.5
317.04990	0.7
426.41690	0.6
463.08856	52.8
464.09177	1.9
464.15302	0.7
870.51227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	1.1
83.01423	0.6
85.02953	0.8
90.46627	0.4
94.04427	0.6
95.01389	1.9
99.00878	1.2
110.00087	2.7
111.00886	12.2
113.02433	1.4
119.05010	1.5
121.03062	0.6
123.00867	2.3
134.03726	0.5
135.04492	3.0
136.98822	2.0
137.02434	0.8
137.99635	0.8
139.00385	13.2
140.00777	0.6
141.01958	4.6
141.91942	0.5
149.02501	0.7
151.00386	2.4
153.01907	1.7
159.04442	0.7
161.02464	0.5
164.98302	2.0
165.01859	0.7
165.99107	2.9
166.99898	5.3
177.01906	1.2
178.99889	1.0
181.01465	0.5
183.04506	0.7
185.06058	0.6
187.03954	0.7
192.00603	1.2
193.01389	1.1
201.01962	0.7
201.05565	0.7
211.04004	1.6
213.01880	0.6
215.03438	1.4
227.03432	0.5
229.05142	1.5
239.03528	2.8
255.03032	1.0
257.04620	0.6
269.04486	0.8
283.02585	0.6
285.04062	5.0
286.04462	4.8
287.05521	4.6
300.02786	3.8
301.03549	100.0
302.03864	3.6
461.07245	1.2
462.07626	1.9
463.08856	69.1
464.09122	4.4
500.46744	0.6
512.67188	0.5
586.66693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45063	3.5
69.45479	2.1
71.01392	2.5
72.99330	2.8
83.01360	1.0
85.02970	3.7
95.01385	3.7
97.02963	1.6
99.00896	12.2
101.02462	1.1
111.00896	19.5
113.02492	5.7
114.47411	1.3
117.03445	1.5
123.00909	9.7
135.04533	4.0
139.00389	27.5
141.01961	100.0
142.02295	2.7
153.01924	4.2
161.02470	10.8
175.02472	3.0
193.03571	2.9
199.03932	1.6
212.70155	1.2
217.05067	1.4
239.03607	1.3
285.04071	5.8
299.01962	1.5
301.03485	1.7
303.05139	64.1
304.05524	1.8
343.40475	1.2
372.45084	1.1
479.08347	80.7
480.08585	3.6
521.40485	1.5
550.51965	1.1
677.85687	1.5
951.37085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16035	0.2
77.46535	0.2
79.95744	0.5
96.96015	1.0
133.06615	0.4
148.56471	0.3
183.01247	2.1
190.08144	0.3
197.02786	24.6
198.03560	5.1
211.04375	1.0
230.02460	1.4
230.16951	0.3
237.41418	0.3
265.14792	1.0
311.16888	100.0
312.17209	4.4
711.57764	0.3
865.93170	0.3
945.74280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49537	0.7
98.21830	1.7
115.02537	6.0
116.02591	0.8
117.00452	6.4
157.03587	3.2
158.03786	0.8
159.01514	88.5
160.01649	9.9
161.01187	9.0
201.02573	37.6
201.04477	1.4
202.02751	5.2
203.02325	3.5
217.00520	1.9
259.01498	3.4
260.01828	1.0
297.38773	0.7
301.02676	100.0
302.02820	28.9
303.02490	27.8
317.00812	0.9
318.00784	0.9
343.03699	6.3
344.03806	2.4
345.03751	1.3
359.01730	2.3
360.01590	1.2
401.02927	3.4
402.02902	1.4
403.02670	1.9
443.03885	15.9
444.04138	6.9
445.03735	11.4
492.87262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.4
71.01384	6.1
73.02956	15.5
81.07110	6.6
83.01402	3.4
83.05045	1.6
85.02962	1.8
89.02451	2.0
96.96010	3.3
101.02457	11.3
109.06594	5.8
111.44662	0.8
113.02473	6.2
119.03490	1.4
123.04533	17.6
126.82460	1.1
127.07674	31.6
131.03514	0.8
132.70248	1.0
138.03270	8.0
143.03485	1.6
149.04588	3.2
153.05594	100.0
161.04564	6.2
171.06660	23.5
179.05736	1.2
221.06679	4.4
227.20018	0.8
264.69489	1.0
265.96054	0.9
285.04114	3.3
364.99615	1.3
366.65280	0.9
393.13956	1.1
397.07956	1.0
439.16125	73.7
440.16525	1.8
481.17221	5.3
661.23529	36.5
662.23987	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	929.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	2.9
68.59321	1.2
69.31234	4.1
71.01390	1.8
72.44849	1.1
85.02969	2.6
87.43953	1.1
90.17651	1.2
95.01386	3.8
99.00874	1.8
110.64979	1.1
111.00886	12.1
113.02460	3.7
117.03516	1.4
119.05008	1.6
123.00924	1.3
125.02485	1.6
135.04509	3.3
136.98796	4.4
139.00409	12.4
143.04910	1.4
151.00386	1.4
153.01981	1.4
161.02550	1.3
164.98291	4.9
166.99887	3.3
175.02438	2.3
183.04556	2.9
185.02417	1.4
187.04100	1.5
211.03943	1.8
229.04883	1.3
239.03447	2.8
255.03064	5.9
257.04761	1.2
269.04718	1.8
283.02502	29.2
284.02744	1.4
285.04083	10.5
286.04541	2.8
287.05515	4.8
299.02087	3.6
300.02716	2.2
301.03561	100.0
302.03851	2.5
425.26508	1.4
459.05585	3.0
463.08850	1.3
477.06781	54.0
478.07382	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	931.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	1.5
71.40907	0.8
89.02461	1.0
100.68755	0.6
101.03973	1.3
117.03500	0.8
117.86192	0.6
145.02943	3.5
163.04060	0.9
173.02446	11.3
189.01944	13.4
191.29749	0.6
207.08168	1.8
235.07704	0.8
245.06100	1.3
246.06696	0.9
247.07661	6.5
251.07033	0.9
263.07190	1.8
267.03366	0.6
267.06540	2.0
268.03796	2.6
269.04425	1.8
277.05017	0.7
279.06485	1.5
282.09024	0.9
283.06241	1.2
291.06656	24.8
292.07019	1.1
294.09113	0.8
297.04050	2.6
301.05081	7.2
309.07977	0.8
309.24796	0.7
319.06125	46.7
320.06503	2.1
323.05460	1.3
326.08096	0.7
327.08783	3.3
338.08051	1.3
341.10321	2.7
349.07373	1.5
353.10382	2.3
363.01761	2.8
371.11420	0.8
373.86780	0.7
407.04456	2.9
439.10367	100.0
440.10580	4.8
559.14349	1.3
699.61774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.4
68.44270	0.2
69.90037	0.2
82.95383	0.3
83.06363	0.2
89.03981	0.3
96.96005	0.4
101.03975	0.4
104.04175	0.2
117.03493	2.3
119.05016	0.9
121.02924	0.6
129.03569	0.2
133.02898	0.4
136.45042	0.2
145.02959	3.7
154.77849	0.3
160.01717	0.3
160.05225	0.3
161.02455	1.4
163.03999	2.3
171.04552	0.3
173.02441	11.2
175.03932	0.2
178.76564	0.3
188.01082	0.3
189.01938	5.8
203.03499	0.5
207.08150	0.5
209.06090	0.5
214.02863	0.6
217.01427	2.3
219.08211	0.4
221.06148	0.6
222.06929	0.3
223.07590	0.5
233.06084	0.4
234.06824	0.3
235.07570	1.5
237.05519	0.5
239.07187	1.2
245.06068	0.3
247.07632	0.7
249.05559	0.7
250.06343	0.9
251.07159	2.6
252.07840	0.3
261.05450	0.5
262.06564	0.5
263.07108	2.4
264.07990	0.4
265.05331	0.2
266.05652	0.3
267.06653	5.0
269.04507	0.4
277.05008	0.8
279.06671	3.7
280.07065	0.3
282.09055	1.8
289.05063	0.6
290.05838	1.9
291.06647	7.0
294.05374	1.1
294.08948	0.9
295.06165	1.5
297.11255	0.6
301.04993	0.7
307.06195	1.0
308.06552	0.3
309.07748	1.6
310.08331	0.3
311.05600	0.4
319.06125	100.0
320.06427	3.9
322.08646	1.3
323.05661	3.4
323.09195	0.5
325.94031	0.3
326.08099	1.3
337.07199	0.3
338.07959	3.2
341.10318	6.2
349.07169	0.4
353.10330	9.1
370.17142	0.3
371.11447	2.1
439.10391	36.4
440.10904	1.6
501.95572	0.3
559.14435	1.2
577.15826	0.5
579.92163	0.3
634.66180	0.3
742.65924	0.3
811.22607	0.4
931.26715	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	931.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43836	0.1
78.95879	0.1
79.95754	0.4
98.38171	0.1
108.58099	0.1
164.93048	0.1
166.63522	0.1
183.01196	2.4
184.01993	0.6
197.02785	21.4
198.03561	4.1
211.04338	1.3
212.05141	0.4
225.05896	0.3
230.02567	1.5
232.10440	0.2
239.07364	0.2
244.04117	0.2
253.09158	0.2
267.10583	0.2
281.12189	0.2
303.84631	0.1
323.17023	0.2
325.18439	100.0
326.18762	3.0
664.35339	0.2
697.42334	0.2
726.84680	0.1
739.91571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.214
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95746	3.4
80.96523	0.6
81.05015	0.3
82.00600	0.5
90.96024	0.3
98.21849	1.2
107.10096	0.4
110.00105	7.5
111.00883	1.4
123.00912	0.5
124.01698	0.4
125.02406	0.4
134.03741	1.8
135.04550	2.5
136.98836	0.4
137.99602	3.2
139.00395	3.3
141.01938	0.8
151.00334	0.6
153.01967	2.6
163.07767	0.4
164.98297	0.4
165.99086	9.2
166.99594	0.4
178.99857	0.7
181.01454	1.3
192.00677	0.6
201.01949	0.4
211.03969	0.6
214.02742	0.4
227.03416	0.7
228.04237	0.9
239.03532	0.5
255.03009	0.4
256.03806	1.5
283.02390	0.5
298.01218	1.3
300.02771	42.8
301.03146	1.3
313.03571	2.5
315.05118	77.9
316.05508	2.7
395.00790	100.0
396.01166	2.8
697.66760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12872	2.5
69.17567	2.6
69.21432	14.4
71.01378	5.9
85.02956	3.6
107.84569	2.6
113.02461	8.9
119.05016	5.7
121.02978	2.9
123.04556	4.5
132.02161	20.7
133.02972	14.4
134.03743	31.7
135.04564	18.5
137.02487	4.1
137.06123	7.2
147.04491	3.2
149.06099	7.2
152.04805	8.0
160.01685	100.0
161.02455	24.2
165.05594	5.7
167.07155	15.7
175.04030	86.8
178.02654	4.6
179.03506	12.6
188.00986	4.3
189.01740	4.2
189.05431	2.6
193.05095	18.6
200.00951	18.6
201.01735	13.8
207.06345	3.9
215.03291	11.9
221.04459	2.9
251.05621	3.3
285.06940	3.3
332.15726	3.0
333.09378	6.7
351.10590	4.7
352.70865	2.6
489.48239	2.7
494.11923	5.1
509.14267	5.6
568.32947	3.1
703.19812	5.9
826.15344	3.0
849.26630	7.6
891.26770	50.1
933.12567	3.1
933.28107	86.9
934.28473	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	933.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79701	1.0
69.25533	5.7
71.01393	8.3
72.99321	1.1
73.02956	1.1
75.00873	3.3
85.02965	16.9
87.00865	2.3
95.01392	6.9
96.96005	0.9
99.00885	5.9
101.02476	1.7
103.00387	2.6
110.00117	1.7
113.02465	38.1
117.01926	2.3
129.01889	0.9
135.00771	0.8
136.98743	1.8
165.99086	3.3
171.59146	0.9
175.02487	16.1
185.24228	0.8
194.23273	0.9
200.04848	2.5
227.03459	2.3
233.06721	1.1
234.01302	1.0
239.03613	1.0
255.02945	2.4
256.03687	1.8
283.02588	2.9
284.03299	100.0
285.03867	2.4
299.05634	95.3
300.05975	3.1
363.28690	0.9
475.08911	32.6
520.11560	0.9
672.68903	1.0
682.90479	1.2
770.94739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.226
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14849	0.4
68.99874	0.5
69.96617	1.0
69.96948	0.8
71.01382	9.1
72.99315	1.7
73.02962	0.6
75.00864	3.6
81.19415	0.4
85.02953	21.5
87.00878	2.5
89.02438	1.4
95.01392	7.3
99.00884	7.1
103.00374	4.2
110.00121	1.9
111.00916	0.6
111.74456	0.5
113.02456	41.4
115.00370	1.1
117.01954	1.6
119.01424	0.9
129.01961	1.2
132.50244	0.5
137.02446	1.0
139.05513	0.6
157.01469	1.0
163.00391	10.0
163.01665	0.7
165.99068	2.6
171.04527	0.7
175.02486	20.1
184.05302	2.8
195.04536	0.6
196.05281	2.1
198.03226	2.0
199.31100	0.4
211.04048	1.5
212.04843	0.6
223.03931	0.5
224.04721	1.5
239.03500	2.3
240.04276	0.9
267.02853	2.2
268.03772	100.0
269.04138	1.7
283.06128	81.5
284.03510	0.6
284.06363	2.2
298.04764	2.0
299.05664	1.4
313.07095	0.7
459.09305	8.5
475.12268	1.7
683.51563	0.5
749.01672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80324	0.2
65.00332	1.6
67.01881	0.7
68.99821	0.5
71.01391	5.7
71.41986	0.3
72.78840	0.2
72.99334	1.1
73.02567	0.4
73.02957	6.8
75.00880	1.8
81.03458	0.5
83.01393	3.0
83.87737	0.2
85.02962	8.9
85.03477	0.4
85.13075	0.3
87.00892	1.1
89.02440	1.2
93.03465	1.2
95.01396	5.8
96.99312	0.4
97.02969	0.3
99.00889	3.3
101.02451	4.0
103.00375	1.4
109.02946	1.3
111.00900	3.4
112.08424	0.2
113.02464	19.4
115.00380	0.7
117.01936	0.5
119.05043	22.8
121.02982	0.3
123.00907	3.0
124.01676	1.2
124.98820	0.5
125.02464	0.6
129.01961	0.5
131.03490	0.8
135.00905	0.5
136.01721	0.3
136.98817	3.4
137.02399	1.2
139.00394	14.5
141.01968	2.0
143.03500	0.3
145.02966	0.7
149.04568	0.9
152.01126	1.0
153.01955	25.1
157.01459	0.3
161.04587	1.4
162.05238	0.2
164.98289	1.5
166.99883	20.8
173.06131	0.5
175.02501	14.1
181.01447	12.7
185.00996	0.3
189.05504	0.7
193.01430	2.9
193.03534	2.2
197.06067	0.3
201.05595	0.9
203.05695	0.3
215.07088	0.3
217.05083	0.3
221.06746	0.5
225.05586	0.7
241.05023	1.0
243.06685	1.4
245.04491	0.3
259.06161	3.0
269.04575	5.7
285.04144	1.5
286.04608	0.6
287.05637	100.0
288.05972	1.6
317.05121	0.6
463.08887	56.5
464.09067	1.3
762.34583	0.2
780.21930	0.2
780.37616	0.2
813.50531	0.3
900.64532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	3.5
67.01890	0.8
71.01382	2.3
71.41098	0.4
72.99306	1.0
73.02945	0.5
75.00872	1.3
81.03467	0.3
83.01316	0.3
85.02962	3.5
87.00880	0.6
93.03443	0.4
95.01405	2.0
97.02969	0.4
99.00870	1.0
103.00365	0.5
110.00042	0.7
111.00878	0.8
112.35553	0.3
113.02454	4.8
115.00331	0.3
117.01998	0.5
117.03477	1.2
119.05021	0.5
123.00916	0.5
133.02974	0.6
136.98819	4.6
137.02507	0.7
139.00380	1.0
143.05006	1.1
145.03011	1.7
146.46471	0.3
157.06636	0.4
161.02464	1.3
163.00372	1.0
164.01208	0.5
164.98308	0.3
165.01903	0.8
165.99066	0.6
166.99814	0.8
167.05061	0.6
169.06604	1.0
171.04533	1.7
175.02528	2.9
183.04524	0.3
185.06096	2.3
187.04005	3.6
187.07649	0.7
189.05597	0.5
190.99948	0.5
192.00661	0.7
193.03539	0.5
197.06042	1.1
199.04005	0.8
201.05635	0.4
211.03979	1.3
211.84610	0.3
213.05602	6.5
215.03516	0.9
217.05038	0.6
229.05099	2.1
239.03519	13.1
240.04091	0.8
241.05064	2.9
255.03008	0.8
256.03790	0.4
257.04550	2.8
267.03000	33.6
268.03488	1.3
283.02524	1.3
284.03256	4.7
285.04065	100.0
286.04419	2.7
287.04547	0.4
298.01178	0.7
299.01944	2.1
299.05606	2.3
301.03485	0.9
342.42871	0.4
443.06140	0.9
461.07309	54.9
462.07443	2.2
463.08569	0.6
945.44977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.5
69.96237	1.0
71.01362	0.8
75.00886	0.4
79.18887	0.3
85.02946	1.8
85.61185	0.3
87.00858	0.3
93.35270	0.3
95.01408	2.0
96.99295	0.4
99.00874	0.7
105.64271	0.4
107.01377	0.6
110.00093	0.9
111.00883	7.0
113.02447	1.9
116.00648	0.4
117.01941	0.4
117.03500	0.4
119.05029	3.8
123.00893	2.0
125.02475	0.7
133.02971	0.5
136.98802	1.0
139.00392	8.9
143.05013	0.8
151.00378	3.0
161.02452	1.1
164.98299	0.9
165.01952	0.8
165.99080	0.4
166.99893	3.2
167.04976	0.4
169.06537	0.6
171.04503	0.9
173.06062	0.7
175.02550	0.8
179.04985	0.3
185.06137	0.9
190.99945	0.5
192.00700	1.0
194.99461	0.3
195.04526	0.8
199.04076	0.7
210.11647	0.3
213.05614	0.9
217.05136	0.9
223.04025	2.1
225.01968	0.6
239.03429	1.1
241.05199	0.4
242.02252	0.5
257.04648	0.5
267.03027	0.6
281.91150	0.3
283.02408	0.7
284.03372	1.4
285.04062	100.0
286.04318	2.2
299.05630	0.9
300.02756	0.5
315.05209	0.7
395.00687	1.0
461.07288	41.8
462.07828	2.0
619.76221	0.4
750.96497	0.4
963.27930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.5
69.96237	1.0
71.01362	0.8
75.00886	0.4
79.18887	0.3
85.02946	1.8
85.61185	0.3
87.00858	0.3
93.35270	0.3
95.01408	2.0
96.99295	0.4
99.00874	0.7
105.64271	0.4
107.01377	0.6
110.00093	0.9
111.00883	7.0
113.02447	1.9
116.00648	0.4
117.01941	0.4
117.03500	0.4
119.05029	3.8
123.00893	2.0
125.02475	0.7
133.02971	0.5
136.98802	1.0
139.00392	8.9
143.05013	0.8
151.00378	3.0
161.02452	1.1
164.98299	0.9
165.01952	0.8
165.99080	0.4
166.99893	3.2
167.04976	0.4
169.06537	0.6
171.04503	0.9
173.06062	0.7
175.02550	0.8
179.04985	0.3
185.06137	0.9
190.99945	0.5
192.00700	1.0
194.99461	0.3
195.04526	0.8
199.04076	0.7
210.11647	0.3
213.05614	0.9
217.05136	0.9
223.04025	2.1
225.01968	0.6
239.03429	1.1
241.05199	0.4
242.02252	0.5
257.04648	0.5
267.03027	0.6
281.91150	0.3
283.02408	0.7
284.03372	1.4
285.04062	100.0
286.04318	2.2
299.05630	0.9
300.02756	0.5
315.05209	0.7
395.00687	1.0
461.07288	41.8
462.07828	2.0
619.76221	0.4
750.96497	0.4
963.27930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.4
66.47315	0.3
67.29645	0.2
68.99821	8.0
89.40450	0.2
90.66603	0.3
92.99830	4.7
99.00885	43.7
103.40168	0.3
112.58408	0.3
123.00896	50.7
124.01212	0.6
125.58440	0.3
126.33048	0.3
127.05533	0.4
133.02939	0.4
135.04529	0.3
161.02390	1.2
162.02827	0.4
166.99852	0.4
167.05032	0.6
168.63705	0.3
171.04538	1.9
194.99356	80.7
195.04189	1.5
195.99654	0.8
223.03917	0.8
239.03607	0.8
257.04437	0.3
267.03009	5.2
285.04071	0.4
299.05612	100.0
300.05936	2.2
301.03516	0.7
326.18195	0.3
355.73438	0.3
463.08792	0.3
493.94922	0.3
540.16913	0.3
676.13123	0.3
911.56488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	2.2
72.99318	19.4
73.02978	1.0
73.98324	6.9
74.99107	19.4
79.95763	0.8
81.19552	0.8
85.02967	1.7
87.12493	0.8
87.19757	0.7
89.02479	0.9
91.99388	2.1
101.02464	1.2
111.00888	1.5
113.02467	2.6
117.97327	19.2
126.47776	0.8
131.43132	0.8
133.45313	0.8
135.98373	100.0
136.99162	53.4
137.00786	1.0
139.00336	1.1
149.02626	0.9
165.53841	0.9
276.83167	0.8
299.01691	1.1
299.86716	0.9
301.03436	1.5
301.37628	1.0
329.06973	12.9
329.12558	2.0
335.36606	0.8
349.91724	0.8
607.22424	8.2
608.23627	1.0
677.85114	0.9
702.24207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67759	1.1
71.10826	0.3
75.46877	0.3
76.45248	0.3
79.95737	0.5
80.96504	0.3
84.34421	0.2
84.76772	0.2
96.96051	0.3
98.22627	0.3
133.58334	0.2
141.34038	0.2
153.05527	0.2
192.25670	0.2
225.12798	0.4
234.27859	0.2
255.17615	0.6
261.05923	9.0
262.06659	0.4
275.07468	1.9
289.09079	11.0
290.09888	4.0
303.10672	0.3
310.63242	0.3
319.13766	100.0
320.14047	2.0
322.08545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	6.4
65.67198	0.6
71.01389	2.0
75.00833	0.5
85.02953	3.0
87.00853	0.8
95.01419	0.7
98.22664	1.7
107.01378	1.3
113.02462	3.4
117.03484	2.2
119.05024	1.0
128.17009	0.6
133.02954	2.7
136.98808	12.4
143.05095	0.6
149.02533	0.6
151.00392	2.1
155.04996	1.1
159.04546	1.0
163.00418	1.3
164.98318	1.6
167.00072	0.5
175.02498	1.6
175.03990	1.2
183.04543	1.5
187.03899	0.5
199.03995	1.6
201.00101	0.6
217.05101	0.9
218.48940	0.6
227.03540	1.7
229.04907	0.5
255.03006	35.2
256.03461	1.1
257.04489	1.7
283.02499	100.0
284.03055	2.8
285.04062	64.4
286.04416	1.5
287.05420	1.2
300.02850	0.7
301.03513	4.6
327.05276	0.7
459.05573	4.0
461.07318	34.0
462.07855	1.6
477.06628	2.7
500.44864	0.6
504.57834	0.5
748.38995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	1.0
71.01393	1.4
72.99312	0.4
75.00876	0.6
81.83401	0.3
83.01393	0.7
85.02960	2.0
85.33288	0.4
87.00869	0.6
91.95161	0.3
95.01400	1.5
95.65511	0.3
98.22755	0.6
99.00901	1.0
107.01370	0.6
110.00119	0.7
111.00890	10.5
111.90553	0.3
113.02454	2.5
117.03453	0.3
121.02975	0.5
121.23608	0.4
123.00903	1.5
125.02498	0.6
133.03006	0.6
135.00803	0.4
135.04559	2.9
136.98824	2.2
137.02429	0.4
139.00388	12.3
149.02467	0.4
151.00388	2.1
154.60564	0.4
156.77142	0.3
158.23618	0.3
159.04515	0.7
161.02417	0.6
163.00351	0.4
164.98329	1.2
165.01913	0.4
165.99084	0.9
166.99870	3.1
171.04425	0.4
175.02527	0.9
177.01921	0.7
178.99911	0.9
183.04468	0.9
185.02444	0.4
187.04039	1.0
189.05583	0.6
192.00681	1.3
193.01491	0.8
201.01968	0.6
201.05653	0.6
206.29318	0.3
209.43411	0.3
211.03954	1.7
213.05618	0.4
215.03461	1.1
227.03551	1.0
229.05034	0.6
229.07590	0.3
231.03210	0.4
233.04684	0.4
239.03490	1.9
255.02939	2.1
257.04391	0.4
258.01636	0.4
283.02521	4.5
285.04132	2.4
299.02020	1.6
300.02579	1.7
301.03555	100.0
302.03796	2.7
342.69452	0.4
368.97922	0.4
475.05246	1.0
477.06750	52.5
478.06970	2.0
490.82037	0.4
876.38464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94360	1.7
85.46428	0.8
88.50687	0.7
98.22511	1.4
117.03482	5.3
153.01892	1.0
154.04257	3.9
164.98282	1.3
178.99875	3.1
198.03262	1.4
210.03221	0.8
226.02718	8.9
235.04022	1.0
238.02681	1.3
254.02229	3.6
269.04553	13.4
285.04071	1.2
297.04059	95.1
298.04221	1.3
312.06384	14.6
327.08740	100.0
328.09143	2.0
407.04440	97.9
408.04678	3.0
461.18393	0.7
610.92377	1.0
748.03650	0.8
793.99603	0.9
948.73572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	0.8
68.99831	0.6
69.34701	1.6
71.01387	1.7
71.45997	0.3
76.97210	0.4
85.02950	2.4
87.00880	0.5
90.59727	0.4
92.99852	0.4
93.03474	0.5
95.01408	2.6
99.00888	1.8
110.00108	1.4
111.00893	9.0
113.02459	3.8
117.01939	0.4
117.03483	0.6
119.05027	5.0
123.00894	1.8
125.02478	1.0
133.02969	0.7
136.98824	1.7
137.02475	1.1
139.00386	12.0
141.01897	0.4
146.33548	0.4
151.00378	4.1
161.02504	1.0
164.98317	1.2
165.01962	0.7
165.99110	1.2
166.99878	3.4
169.06609	0.9
171.04547	0.8
173.06110	0.6
175.02495	2.2
178.99823	0.7
179.05173	0.4
185.06114	1.1
190.62894	0.4
192.00677	0.9
194.99323	1.2
195.04587	0.8
199.03940	0.7
207.03165	0.4
211.03894	0.4
213.05565	1.3
215.03419	0.6
217.05121	0.5
223.04063	2.4
225.01843	0.6
239.03522	0.9
241.05275	0.4
242.02235	0.7
243.02838	0.5
267.03070	1.3
283.02374	0.5
284.03281	1.1
285.04068	100.0
286.04468	3.3
287.05417	1.0
299.02264	0.5
299.05582	0.9
301.03534	7.6
301.07129	1.7
461.07303	45.1
462.07544	1.5
463.08804	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	939.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	2.0
69.52071	2.7
71.01378	1.1
72.48480	0.5
85.02974	2.1
93.03434	0.6
95.01403	2.0
98.21893	0.6
111.00891	8.7
113.02447	2.7
119.05049	5.0
123.00851	1.0
125.02449	1.1
133.02985	1.8
135.04564	0.8
136.98804	2.9
138.05264	0.6
139.00394	10.1
143.05038	1.0
151.00375	2.5
161.02505	2.9
164.98274	1.3
165.01965	0.7
166.99873	3.6
169.02858	0.7
169.06526	0.6
171.04518	1.4
175.02534	1.1
179.04984	0.8
185.06024	1.0
192.00627	0.8
195.04553	0.9
199.04008	0.9
213.05539	1.3
215.03505	0.9
217.05147	0.9
223.03992	2.3
225.02023	1.3
239.03560	1.1
242.02103	0.8
245.08066	0.7
267.02951	0.7
269.00931	0.8
285.04068	100.0
286.04446	2.2
297.00449	3.1
301.07263	0.8
315.01532	1.0
461.07281	33.6
462.07355	0.9
588.68958	0.6
623.19867	4.4
634.89948	0.7
657.37732	0.6
751.82239	0.7
965.69617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.7
70.11094	0.5
70.57475	0.4
71.01381	3.1
71.41263	0.6
72.99303	1.2
73.02985	0.6
85.02950	4.8
95.01402	2.4
97.02956	2.3
99.00887	11.5
101.02480	0.6
111.00885	3.5
113.02445	6.8
119.05065	3.2
123.00894	8.9
137.87584	0.5
139.00359	4.7
140.01195	0.8
141.01952	100.0
143.05051	1.0
150.58638	0.6
153.01935	1.4
159.04541	0.7
166.99925	0.7
175.02492	2.2
193.03586	2.9
201.05563	1.0
269.04617	6.3
284.03210	4.2
285.04013	1.1
287.05624	58.7
288.05975	1.2
299.05591	3.1
317.05191	0.8
415.79837	0.5
431.09760	0.9
463.08862	83.0
464.09305	1.6
475.09039	0.8
541.82965	0.6
678.13007	0.6
820.37305	0.5
827.23230	0.5
850.84613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6431
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37331	0.8
66.64747	0.9
78.16189	0.8
92.88905	1.0
104.74718	0.9
110.48288	0.9
122.31852	1.0
134.03825	1.2
150.03244	3.2
160.01692	2.2
162.03215	1.3
165.05589	2.2
175.04094	1.7
191.18633	0.9
195.06700	1.1
198.78017	0.9
235.99446	0.9
282.73944	0.9
285.04132	1.6
337.09213	2.6
396.56238	0.9
499.97565	1.0
533.16479	1.7
722.75842	1.0
743.25714	1.6
903.66711	2.9
939.64307	100.0
940.64368	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	941.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
72.13387	0.2
99.00948	0.2
108.74664	0.2
117.03447	4.2
125.21212	0.2
149.02473	0.3
151.00356	0.3
153.01952	0.4
154.04254	1.6
161.02426	0.5
162.32851	0.2
165.01993	0.4
168.18112	0.2
169.06543	0.2
178.99875	2.4
185.02446	0.5
198.03259	0.7
207.04529	0.6
210.03188	0.3
223.03999	0.2
226.02739	6.7
227.02916	0.2
235.03955	1.1
238.02713	0.9
241.05331	0.2
253.05232	0.3
254.02202	3.5
258.01706	0.7
265.01419	0.3
266.02255	0.6
267.02975	0.5
268.03748	0.4
269.04565	8.8
269.07480	0.4
270.05035	0.4
282.01617	0.3
283.06189	0.4
285.04117	0.3
295.06183	0.3
297.04053	84.0
298.04330	1.9
311.05624	0.3
312.06412	15.6
313.06732	0.3
327.08746	85.2
328.09119	2.4
392.01920	0.2
407.04431	100.0
408.04675	2.9
472.77002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	0.8
83.01359	0.5
85.02962	2.7
85.92978	0.4
87.02274	0.4
92.99818	1.8
95.01394	1.2
96.99329	2.2
99.00917	0.5
101.02435	0.4
108.99321	1.2
110.00093	1.8
111.00887	2.2
113.02463	4.3
117.03479	2.6
119.05042	14.8
120.99323	1.2
123.00906	0.5
125.31849	0.5
133.02979	0.6
135.00882	0.5
136.98817	23.0
139.00395	5.9
141.03493	0.5
143.05049	0.5
149.75392	0.4
153.01961	1.7
155.05009	0.6
159.04530	1.4
163.00401	1.1
164.98303	36.4
165.99092	3.7
166.99887	1.8
175.02518	2.2
181.01546	0.6
182.15257	0.5
183.04561	1.2
187.04033	1.2
193.03583	0.7
197.06224	0.6
208.24611	0.4
227.03543	2.0
237.99936	0.5
239.03583	0.5
255.03000	33.3
256.03448	3.0
257.04709	3.1
283.02505	100.0
284.02866	8.4
285.04074	53.0
286.04437	1.0
287.05646	4.5
301.03583	5.3
310.59576	0.5
315.03735	1.0
325.03571	0.5
341.01437	2.1
438.37885	0.4
459.05753	3.7
461.07272	4.8
463.08612	3.0
477.06909	1.8
576.18860	0.5
721.12897	0.6
819.86768	0.5
833.69958	0.5
839.92267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55341	0.3
67.01891	0.4
70.00552	0.4
70.26469	0.7
70.26819	0.3
71.01384	1.3
72.99348	0.4
85.02950	2.3
87.00884	0.5
89.33570	0.3
95.01390	2.0
96.99300	0.4
98.22047	0.6
99.00875	1.3
107.01437	0.5
108.02222	0.4
110.00126	0.7
111.00167	0.7
111.00895	10.8
111.31955	0.3
113.02431	2.1
117.01930	0.4
123.00885	1.5
125.02456	0.7
125.15176	0.4
133.02917	0.6
134.03755	0.5
135.04535	3.9
136.98819	2.4
139.00388	11.2
149.02409	0.5
151.00407	2.1
153.01968	0.4
155.09924	0.4
159.04430	0.6
161.02515	0.6
164.98265	1.8
165.01993	0.6
165.99026	0.8
166.99858	3.8
171.04520	0.5
173.02443	0.4
175.02547	0.9
177.02060	0.6
178.99895	0.9
183.04510	0.5
187.04015	0.8
190.99791	0.5
192.00714	1.1
193.01489	0.7
195.04437	0.7
201.05589	1.5
211.04007	1.3
215.03566	1.1
227.03526	0.8
229.05083	0.9
239.03555	1.7
255.02905	2.5
257.04764	0.6
257.45676	0.4
258.01569	0.5
273.04181	0.4
283.02509	5.4
287.05627	1.3
299.01950	0.7
300.02563	1.1
301.03549	100.0
302.03848	2.9
477.06766	45.4
478.07104	1.3
479.08456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.4
68.99825	0.4
69.52515	0.3
71.01395	2.9
71.42648	0.5
72.99310	1.4
73.02959	0.6
75.00883	1.1
81.03438	0.4
82.00582	0.7
83.01389	1.2
85.02959	3.2
87.00874	0.9
91.23414	0.3
93.03460	1.2
95.01407	2.9
99.00896	3.1
103.00372	0.7
109.02945	0.4
110.00124	3.0
111.00897	3.9
113.01707	0.7
113.02457	7.4
115.00394	0.4
117.01920	0.5
119.05037	13.3
121.02862	0.4
123.00914	2.6
124.01691	1.0
125.02466	0.7
135.00978	0.3
135.04509	0.9
136.14999	0.3
136.98784	2.4
137.02425	0.9
137.99619	0.4
138.99303	0.6
139.00383	10.3
139.01436	0.8
140.01169	0.4
141.01956	12.5
143.05023	1.1
145.02966	0.9
152.01175	0.9
153.01958	14.0
164.98311	1.1
165.99072	2.3
166.98441	0.8
166.99872	15.3
173.06113	0.5
175.02493	4.3
180.00638	0.9
181.01433	6.4
183.02980	0.4
187.04022	0.9
189.05589	0.6
193.01439	1.5
201.05664	0.6
225.05716	0.5
243.06667	1.1
259.06116	1.6
269.04550	1.3
285.04037	1.8
286.04794	5.7
287.05627	34.8
288.06027	0.9
301.03537	4.2
301.07190	3.6
303.04999	0.9
317.05151	6.9
387.12991	0.4
461.07510	0.5
462.07446	0.5
463.08862	100.0
464.09238	3.3
465.09351	0.5
477.10696	2.3
637.21857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	1.2
71.01394	4.7
71.39983	0.6
72.32307	0.6
72.99311	1.4
73.02978	0.5
75.00891	0.6
76.09914	0.5
79.71036	0.6
80.57325	0.5
83.01385	0.7
83.39069	0.6
85.02965	4.9
95.01398	3.3
97.02979	2.3
99.00895	14.3
103.00381	0.9
109.02972	1.0
111.00897	21.2
112.01215	0.7
113.02467	7.0
117.03504	1.0
123.00904	8.6
125.02485	0.8
134.03754	0.7
135.04547	3.4
136.98792	0.9
139.00394	31.4
140.00780	1.4
141.01959	100.0
142.02245	1.4
151.00378	0.8
153.01939	2.8
159.04523	0.8
161.02455	10.4
166.99873	0.9
167.43385	0.6
175.02512	1.3
175.04050	1.1
181.01529	0.6
193.01540	1.1
193.03546	2.4
199.04089	0.7
217.05014	1.9
224.26117	0.6
241.05025	1.2
275.05780	1.4
285.04062	4.6
301.03622	5.8
302.04004	3.9
303.05124	48.4
304.05453	0.8
317.05060	0.9
461.16696	0.7
478.06760	0.7
479.08362	72.5
480.08670	3.0
602.86066	0.7
803.58783	0.6
920.07581	0.6
972.67310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	7.2
68.99828	2.0
69.03432	0.9
69.61133	2.0
70.83333	0.6
71.01389	6.2
73.03020	0.8
74.70401	0.6
81.03474	0.9
82.59592	0.8
83.01400	5.7
84.14947	0.6
85.02956	5.6
89.02467	1.9
93.03391	0.7
95.01423	1.6
96.99325	0.8
97.02956	37.6
99.00894	2.2
101.02444	1.3
102.61472	0.6
107.01412	1.1
111.00883	3.9
113.02467	13.3
117.03486	1.8
119.05031	0.8
123.04533	2.4
132.02168	2.1
133.02968	36.3
133.06615	1.5
134.03323	0.7
135.03508	0.8
135.04541	14.5
136.98814	6.7
139.00395	1.4
139.04019	11.5
143.05045	1.9
145.02988	0.8
145.06555	1.2
147.04494	0.6
153.05597	1.4
155.05035	1.2
157.02896	0.8
159.04512	1.2
161.02452	94.6
162.02760	2.3
164.98323	4.6
169.06619	1.7
171.04529	11.6
173.02393	1.4
175.02490	1.2
175.03967	1.4
179.03502	2.7
181.41571	0.6
182.03781	1.0
183.04419	1.6
185.02486	0.6
185.06082	0.7
187.03918	0.8
197.02512	0.6
198.03427	0.6
199.03969	2.8
201.01917	4.1
201.68445	0.6
203.07126	4.1
213.01971	0.9
213.05495	2.1
227.03609	3.5
243.03067	1.2
245.08199	83.7
246.08568	2.0
255.02937	1.5
269.00903	1.3
269.04877	0.7
270.01407	1.3
271.02515	5.9
273.04163	0.8
285.04056	18.2
297.00403	4.8
298.00787	2.7
299.01978	34.3
300.02356	1.6
313.56137	0.7
314.10434	0.8
315.01547	3.2
315.10770	2.0
316.01810	1.4
316.99216	1.0
317.03101	18.3
317.06668	3.2
318.03421	0.9
385.34708	0.8
461.07321	3.6
461.16687	4.7
623.19830	100.0
624.20135	7.9
625.20264	1.2
650.81689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42942	0.3
79.95747	0.7
90.73553	0.2
97.79082	0.3
155.87585	0.3
183.01175	1.9
184.02022	0.6
197.02800	21.4
198.03558	3.1
211.04402	1.0
212.05142	0.5
230.02515	1.5
239.07516	0.3
305.83551	0.2
325.18460	100.0
326.18802	3.0
364.42026	0.3
376.56116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01411	0.6
71.98928	0.4
82.99764	0.5
83.01409	0.7
85.02959	2.1
92.99818	3.1
95.01420	1.3
96.99313	4.1
99.00903	1.6
108.99310	1.1
110.00104	1.8
111.00904	4.7
113.02454	3.9
116.54704	0.6
119.05039	34.7
120.05356	0.7
120.99351	2.9
123.00838	0.6
127.69012	0.5
136.98819	22.1
137.99261	0.4
139.00395	11.8
141.01973	5.2
143.05023	0.6
153.01962	2.5
164.98306	71.4
165.99097	7.2
166.99796	1.7
175.02507	2.0
181.01404	1.1
185.06079	0.7
187.03989	2.2
197.06139	0.8
199.04057	0.7
255.03041	1.2
257.04639	6.2
283.02448	3.2
284.02994	1.5
285.04068	100.0
286.04422	2.3
287.05621	6.5
301.03503	2.8
302.03952	1.2
303.04895	1.7
315.03656	2.1
316.96960	0.5
341.01553	6.7
365.93024	0.7
435.13138	0.9
461.07272	5.0
463.08896	4.1
472.11942	0.5
478.07098	0.6
479.07516	2.8
654.20679	0.6
809.66125	0.7
973.74811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55966	0.2
70.56304	0.3
74.48331	0.2
78.95929	0.2
79.95719	1.7
84.63701	0.2
95.95267	0.5
96.96021	67.3
105.12740	0.2
195.30403	0.2
265.14804	100.0
266.15085	1.5
322.09888	0.2
348.08154	0.2
373.38531	0.2
471.34982	1.4
875.84631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54949	0.2
70.55280	0.3
79.95709	1.3
95.95236	0.3
96.96021	67.8
108.95076	0.2
152.99440	0.3
162.58014	0.2
166.90425	0.2
229.55708	0.2
265.14807	100.0
266.15176	1.5
272.14206	0.2
287.97293	0.2
311.16943	0.3
347.80725	0.3
427.10574	0.3
479.28091	0.2
551.02545	0.2
636.16736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41367	0.4
71.41661	0.4
78.21899	0.4
79.95743	0.5
96.96032	3.8
99.79021	0.4
103.42910	0.5
104.19614	0.4
119.05020	0.5
183.01204	2.1
184.01982	0.5
197.02806	20.5
198.03603	4.0
211.04448	0.7
230.02617	1.1
232.05373	0.4
258.98401	0.4
263.01663	0.4
265.14822	4.7
266.15118	0.8
267.10800	0.4
270.92099	0.5
277.21689	0.5
311.16901	100.0
312.17358	2.5
406.48376	0.4
789.05231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21692	3.3
71.01397	0.7
79.95754	3.0
80.96510	0.9
81.62387	0.6
82.88657	0.6
85.02973	2.1
90.17301	0.6
95.01433	0.7
99.00903	0.9
110.00126	6.6
111.00891	3.9
113.02487	3.0
124.01709	0.7
131.03554	0.7
134.03769	2.7
135.04575	3.5
136.98836	1.0
137.99629	3.0
139.00391	9.6
140.00739	0.8
141.01964	2.6
153.01936	2.5
160.01675	1.6
161.02376	0.7
164.98387	0.8
165.99098	9.8
175.03960	1.5
181.01419	1.0
193.05058	0.7
200.04941	0.7
239.03519	0.8
239.67487	0.6
242.39270	0.7
256.03906	1.0
271.02521	0.7
271.06049	0.8
285.04144	2.4
286.04373	2.0
298.01239	1.5
300.02792	42.2
301.03336	1.8
313.03549	2.4
315.05145	80.1
316.05243	1.7
395.00815	100.0
396.01071	3.9
463.08972	1.2
529.37286	0.7
607.22290	3.2
634.95404	0.8
740.85114	0.7
783.26489	0.8
878.50977	0.7
945.32281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.135
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02958	1.6
87.00895	2.5
97.02969	0.7
106.46490	0.4
110.00076	0.5
117.03498	1.4
123.00912	0.4
136.98779	0.5
137.02524	0.4
139.00421	1.0
143.04865	0.4
145.03020	0.4
150.03160	0.4
159.03035	4.0
161.02385	0.5
163.00385	3.0
164.01117	0.5
164.98367	0.6
165.01994	1.2
165.99112	0.6
176.98056	0.4
177.01981	0.9
185.06143	0.5
187.04002	1.5
189.01898	0.7
190.99875	0.7
195.04581	0.5
197.06142	0.6
200.04921	0.9
207.02943	0.4
212.04814	0.6
213.05528	2.3
214.02736	0.7
217.01326	0.4
219.02910	0.4
227.03606	0.6
229.05067	1.0
239.03433	1.0
241.05078	1.4
245.96440	0.4
255.03044	1.7
267.03107	0.7
277.63379	0.4
283.02557	4.2
284.03296	33.9
285.04068	34.8
286.04364	1.2
292.19644	0.4
303.73480	0.4
305.00745	0.7
306.01474	2.7
307.02237	13.8
308.02478	0.4
319.02014	0.7
325.02029	3.3
327.05212	0.7
339.01242	0.7
367.03226	1.5
379.03546	1.0
429.01923	0.4
461.07367	4.8
462.07834	0.7
466.05099	0.9
483.05490	100.0
484.05679	2.3
572.68158	0.5
769.08923	0.9
811.44098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	3.5
71.41186	0.8
73.02950	2.3
85.02960	2.9
97.02942	4.7
111.00891	0.9
113.02446	4.3
121.02969	1.5
122.03760	1.0
123.04534	14.4
135.04533	4.5
141.01965	1.0
150.03210	2.6
152.04807	1.6
153.05591	31.1
162.03259	1.1
164.38766	0.9
173.02214	0.9
175.03830	1.5
193.03488	1.3
193.04987	1.5
205.01189	7.5
207.02737	9.6
217.04883	1.6
219.02966	1.3
235.05988	2.6
271.05792	2.4
289.07101	2.0
304.05450	1.1
319.07993	25.0
337.09109	12.8
339.06494	0.8
366.97015	1.0
461.16785	3.2
483.14783	100.0
484.14938	2.7
485.14902	0.9
528.73572	1.0
574.40625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	5.3
72.99318	0.7
85.02963	5.2
89.02451	1.5
95.01405	2.0
101.02446	1.0
103.00381	5.8
105.03432	0.5
108.58774	0.4
112.07729	0.5
113.02464	10.0
115.01948	0.6
117.03471	1.5
119.03496	0.4
121.02996	3.1
123.04545	1.3
128.07179	3.3
131.05032	1.0
132.02165	1.8
133.02968	34.7
134.03676	0.8
135.03503	0.7
135.04539	13.6
136.04889	0.6
145.06598	1.9
146.06905	0.6
153.05618	0.6
161.02458	100.0
162.02798	2.5
179.03502	3.4
217.04991	0.6
229.29614	0.6
241.05148	0.6
298.57303	0.5
315.11096	1.3
349.77286	0.5
461.16794	4.2
623.19830	89.3
624.20184	8.1
842.88867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54630	0.4
69.05093	2.7
71.01384	4.2
72.99299	1.2
73.02940	0.7
75.00873	2.6
76.88689	0.5
79.59727	0.6
85.02956	11.2
87.00882	2.0
89.02454	0.9
95.01389	4.3
95.13916	0.4
99.00894	4.8
103.00349	1.8
107.01379	1.2
111.00865	0.7
113.02458	26.3
115.00381	1.1
117.01946	1.6
129.01918	1.4
136.98782	1.1
139.00363	1.1
141.07104	0.5
143.05023	1.9
145.02965	0.8
153.73810	0.4
157.01456	0.6
165.07085	0.6
167.05032	0.6
169.06548	2.2
171.04465	0.6
172.92830	0.5
175.02495	15.6
181.06569	0.7
185.06061	0.7
195.04509	1.4
197.06073	2.1
209.06102	1.7
213.05626	0.8
223.04070	2.6
224.04700	0.4
225.05702	1.2
241.05107	2.0
251.03432	1.3
253.05075	73.6
254.05360	1.4
268.03775	0.7
269.04565	100.0
270.04822	2.3
297.03943	2.4
298.04395	0.8
312.06601	0.5
327.08777	2.3
328.09042	0.7
407.04517	1.6
409.04462	0.9
429.08261	17.6
473.11111	2.2
505.92090	0.5
648.91821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79192	1.7
70.04189	2.6
71.01389	22.8
71.01752	2.7
73.02951	21.2
83.01379	4.7
85.02974	10.3
89.01298	1.6
89.02460	7.1
93.03492	2.1
95.01337	2.2
98.21950	2.2
101.02460	19.3
101.35384	1.5
107.05035	1.9
113.02448	11.9
117.03496	2.2
119.03486	4.7
123.08175	27.0
125.02477	2.0
135.04507	3.1
136.98816	2.6
137.09734	6.8
143.03523	3.0
149.04553	3.3
159.04492	1.6
161.04587	10.5
163.11292	24.1
171.11874	1.8
173.09729	2.4
189.12871	43.9
203.05544	3.4
207.13934	50.0
221.06622	2.0
225.14980	13.4
252.02892	2.6
369.18829	1.9
387.20306	19.1
429.11664	6.7
429.21417	100.0
619.04938	2.3
645.77820	2.0
650.46832	2.0
744.32922	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	949.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50622	0.4
67.01898	0.5
71.01382	2.1
72.99315	0.9
79.95788	0.4
82.00632	0.4
83.01411	0.7
85.02973	2.4
87.00881	2.4
89.02410	0.4
93.03458	0.7
95.01396	1.6
96.99331	0.4
97.02986	1.0
99.00827	0.5
101.02422	0.5
109.02965	0.8
110.00108	6.4
111.00903	2.5
113.02464	1.8
119.04250	0.7
119.05042	8.8
123.00922	2.0
124.01674	1.1
133.01451	0.4
135.00876	0.5
136.98833	2.9
137.02408	0.5
137.99623	2.0
139.00410	4.8
141.01891	0.4
145.02960	0.7
151.00397	0.7
152.01184	1.7
153.01958	6.6
153.33492	0.4
154.99699	0.7
159.03004	3.1
163.00334	0.5
164.98311	5.3
165.99100	9.1
166.99892	9.5
167.38364	0.4
175.00241	0.9
175.02576	0.5
176.76704	0.4
177.01874	0.6
178.98384	0.4
178.99832	0.8
180.00661	2.0
181.01451	3.1
187.04059	0.5
193.01421	1.8
201.05582	0.6
219.96242	0.4
223.03952	0.4
224.04771	0.6
239.07007	0.4
241.05092	0.9
259.06009	0.8
265.04956	0.9
269.04489	1.0
279.02768	0.8
281.03836	0.6
285.04175	2.6
286.04865	14.5
287.05661	13.9
288.05936	0.6
291.02838	3.5
293.02948	0.4
297.02176	0.8
307.02307	0.6
308.02884	0.9
309.03699	1.7
311.05624	0.7
321.02310	1.3
327.03622	3.1
360.13757	0.5
365.01245	3.0
381.04688	0.8
383.02615	0.6
439.06711	0.5
457.67117	0.4
463.08762	1.0
467.06076	1.5
468.06735	0.9
472.11777	0.4
484.05902	0.7
485.07059	100.0
486.07446	2.8
603.12183	0.4
661.09290	0.5
773.12396	2.0
821.57788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51295	0.4
70.65612	0.4
71.01373	1.8
71.41839	0.5
72.99298	0.7
75.00864	0.7
81.03477	0.4
82.00574	0.4
83.01398	1.0
85.02973	2.0
87.00889	1.2
89.02456	0.7
93.03464	0.9
95.01385	1.7
97.02977	0.7
99.00864	0.7
101.02456	0.5
105.03011	0.4
109.02939	1.0
110.00116	7.2
111.00886	2.2
113.02480	2.1
119.05039	9.8
122.52229	0.4
123.00842	1.5
124.01656	1.2
124.98789	0.5
126.00444	0.4
130.88977	0.4
133.01488	0.6
135.00885	0.5
136.98819	2.3
137.02405	0.6
137.99608	2.7
139.00407	5.5
141.01904	0.5
145.03011	0.6
149.02454	0.4
151.00293	0.7
152.01152	1.3
153.01941	8.0
154.02274	0.5
154.99591	0.6
159.02959	1.5
159.04274	0.5
164.98299	4.7
165.01958	0.6
165.99071	6.1
166.00380	0.6
166.99878	10.9
175.00192	1.0
175.02531	1.0
178.99870	0.6
180.00667	2.8
181.01416	3.9
189.05522	0.8
190.99944	0.4
193.01411	1.7
194.08646	0.4
197.06084	0.6
199.03931	0.5
201.05634	0.6
202.99693	0.7
219.96259	1.2
223.03859	0.5
225.94795	0.4
229.05084	1.0
230.05898	0.8
241.04984	1.0
243.06573	0.7
257.04810	0.4
259.06091	1.1
263.03217	0.7
269.04568	1.5
279.02841	0.5
281.03201	0.6
285.04080	2.7
286.04858	16.5
287.05630	18.6
288.05954	1.7
291.02786	3.7
297.02161	0.6
308.02972	1.2
309.03842	1.9
321.02295	0.6
327.03607	2.8
365.01315	2.3
457.39618	0.5
463.09311	2.7
463.14801	0.6
464.09009	0.6
467.06046	0.9
468.07303	0.6
483.05533	0.8
484.05719	0.6
485.07034	100.0
486.07495	3.0
500.99402	0.5
638.53162	0.5
656.48016	0.4
661.09131	0.6
773.12469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	1.0
87.04562	0.2
95.01398	0.4
98.63755	0.3
101.03995	0.3
113.02481	0.6
117.03445	0.3
136.97298	0.3
139.00328	0.4
145.02913	0.4
153.07043	0.4
155.05037	0.6
163.00412	2.0
165.02003	0.4
165.99048	0.6
167.05122	0.3
169.06615	2.5
171.04539	4.0
173.06082	0.5
180.05807	0.3
181.06589	0.7
183.04509	0.6
184.05209	0.6
191.31001	0.3
195.04512	0.5
196.05377	0.5
197.06073	5.5
198.03293	0.6
199.04002	1.1
201.05600	0.4
207.04541	0.3
212.04797	0.4
213.05606	2.1
223.04010	0.6
224.04781	0.8
225.05637	3.2
239.03497	0.4
240.04323	0.8
241.05090	2.3
251.03456	0.3
255.06642	1.2
267.02887	0.5
268.03781	9.2
269.04556	100.0
270.04889	2.5
274.92551	0.3
281.04968	0.4
431.09885	3.0
473.10913	62.9
474.11215	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	949.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	18.0
72.55455	0.9
72.99316	2.0
73.02944	1.7
75.00858	6.8
83.01438	1.0
85.02959	42.9
85.03483	2.2
87.00887	6.5
89.02452	2.5
94.42254	0.8
94.85973	0.9
95.01392	10.6
99.00884	14.1
103.00374	6.7
110.00104	2.4
111.00912	1.2
113.02461	84.9
115.00365	3.6
115.42113	0.8
117.01956	3.6
124.01659	1.0
129.01984	4.5
136.98814	3.2
137.02449	1.2
152.01218	1.7
157.01401	2.7
163.00394	8.9
164.98300	8.0
165.99002	2.2
174.36705	1.0
175.02489	40.8
180.00681	2.3
183.04567	1.3
184.05241	1.5
196.05231	1.2
198.03088	1.5
211.03935	2.4
219.53003	0.9
223.03954	0.9
224.04567	1.3
239.03313	2.0
255.03006	7.9
267.02939	1.8
268.03778	75.6
269.04437	3.9
283.02499	57.0
283.06119	60.7
297.04099	1.3
298.04846	46.8
299.05359	1.1
313.07199	100.0
314.07571	2.4
459.09396	8.3
489.10440	24.9
754.21423	1.1
816.00702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63673	1.3
71.01385	3.9
72.99322	0.5
73.02953	0.7
75.00881	0.5
83.01386	0.9
85.02979	2.8
87.00878	0.7
88.48538	0.4
95.01403	1.1
98.21898	0.4
99.00871	1.4
101.02462	1.3
103.00336	0.5
103.62135	0.3
107.01399	1.6
113.02468	3.8
119.05027	1.6
121.02943	0.4
132.02155	0.4
133.02971	4.9
136.98820	0.8
139.00404	0.7
149.02463	1.0
151.00380	2.8
161.04553	0.9
164.98299	1.3
175.02515	1.1
175.04016	1.5
185.06122	1.0
199.04002	1.6
201.01891	0.5
211.04010	0.4
213.05528	1.0
217.05086	1.5
223.04041	0.5
239.03484	0.7
241.05128	1.3
243.03046	0.6
257.04617	0.5
269.10339	1.2
284.03336	0.8
285.04074	100.0
286.04471	1.7
287.05319	0.5
297.04196	0.4
311.11505	0.5
318.46768	0.5
327.05112	0.9
357.06262	0.8
369.06213	0.4
391.39987	0.4
401.14609	1.3
443.15656	10.0
444.16132	0.4
461.07312	53.9
462.07626	1.5
485.07004	2.4
487.07172	0.5
518.08472	0.4
909.15778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09597	5.5
71.01388	34.4
72.99314	2.2
73.02953	29.1
75.00887	5.7
81.03454	0.9
83.01396	9.6
85.02959	32.8
87.00874	3.3
89.02451	28.9
93.03464	7.2
95.01404	8.5
97.02966	1.4
98.22631	1.6
99.00890	81.2
101.02448	15.3
101.35876	0.9
103.00376	3.8
107.01390	14.9
111.00897	1.0
113.02464	61.9
115.00382	1.8
117.01937	3.2
119.03580	1.8
119.05038	38.6
125.02490	5.2
129.01984	1.8
131.03532	9.5
143.03479	3.5
145.02942	1.8
149.04568	29.8
151.00386	66.1
155.03471	2.2
157.01402	1.4
161.04567	4.4
165.01917	2.4
175.02490	37.0
177.01979	6.4
185.06087	2.2
187.03990	2.2
191.05635	29.0
203.05656	10.5
227.07124	1.9
233.06694	6.8
269.04602	1.7
271.06134	88.4
272.06525	1.9
281.29303	0.9
284.03339	1.0
287.45425	0.8
335.10004	2.1
415.16229	4.6
447.09363	52.0
448.09686	1.1
457.17188	100.0
458.17679	4.0
536.29651	0.9
560.19940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26671	0.4
71.01385	2.0
81.43991	0.6
85.02956	0.5
89.02474	1.0
93.03413	0.6
101.03979	1.7
102.00104	0.5
111.41665	0.5
113.02502	0.6
121.02946	0.7
121.25142	0.4
122.03753	1.4
127.18761	0.4
133.02963	0.6
134.03757	7.6
145.02954	2.8
149.02440	2.4
149.06068	1.1
150.03244	7.1
161.02562	0.7
164.98232	0.7
165.05568	3.8
169.25638	0.5
173.02441	12.5
178.02733	3.8
189.01942	15.9
190.02379	0.5
193.05070	5.3
195.06635	1.1
199.00407	1.1
207.08167	1.1
217.01431	0.4
218.07387	0.6
219.08049	0.8
235.07549	0.5
239.03322	0.5
245.06120	1.2
246.06837	0.9
247.07619	7.8
263.07095	1.5
267.03064	0.8
269.04489	1.2
270.04889	0.9
277.05164	0.6
282.05505	0.6
283.02399	1.3
285.04004	0.6
288.54803	0.5
291.06662	26.7
292.06955	0.9
298.04861	1.5
299.05573	0.8
301.05032	6.3
313.07245	1.5
317.04593	0.5
319.06137	49.6
320.06500	1.2
349.07022	0.9
385.82813	0.5
393.02710	0.8
395.00974	0.6
439.10358	100.0
440.10577	4.4
476.37027	0.5
521.72882	0.5
559.14520	1.5
941.43042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	3.4
71.40763	1.1
72.81892	1.2
75.00896	2.6
85.02950	9.8
86.73669	1.1
92.53941	1.0
95.01374	3.4
99.00858	3.2
103.00364	2.8
104.96450	1.1
113.02466	16.4
137.76707	1.0
142.41240	1.2
149.02472	1.9
151.03915	1.1
162.03247	1.5
164.98274	3.4
175.02507	6.9
177.01917	2.1
178.05402	1.2
205.01149	1.2
225.05438	1.5
242.05612	1.1
253.05112	2.5
255.02908	1.7
256.07455	2.2
257.08151	1.6
265.08856	1.5
268.03812	11.3
268.06775	1.7
269.04538	3.8
270.05304	2.0
271.09787	2.1
281.08194	4.4
283.02472	9.9
283.06058	8.6
298.04779	8.0
309.07687	3.7
313.07190	18.3
332.06992	1.2
439.92566	1.4
489.10220	3.7
553.18372	1.7
581.18188	4.0
583.19879	1.9
593.18158	2.5
611.19061	5.1
725.74683	1.5
745.23602	1.4
773.24579	100.0
774.24487	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	949.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57944	1.7
72.72072	0.6
97.51347	0.5
101.03999	0.6
105.99700	0.5
117.03490	1.9
119.05032	0.7
121.02965	1.3
122.03733	2.7
133.02971	1.8
134.03751	15.7
137.02435	1.4
139.04047	0.5
145.02992	3.5
149.02448	3.0
149.06094	3.6
150.03241	14.7
161.02451	2.3
163.04045	2.1
164.04843	0.7
165.05585	12.1
173.02441	10.5
173.75993	0.5
178.02734	7.5
180.04349	0.9
184.81586	0.5
189.01923	5.3
191.03453	0.5
193.05066	16.6
195.06633	5.0
214.02716	0.8
217.01486	1.4
219.08232	0.6
258.11996	0.5
261.05646	0.5
263.07233	1.3
269.04492	1.0
275.07141	0.5
290.05789	0.9
291.06613	7.1
299.05569	0.9
301.05035	0.9
302.67416	0.5
319.06131	100.0
320.06467	3.9
326.49484	0.6
341.10425	0.9
341.14752	0.5
348.03864	0.5
379.00989	0.8
389.12631	0.7
407.04504	0.6
439.10388	43.3
440.10483	1.7
459.13690	0.6
559.14459	2.0
575.51123	0.7
637.21283	0.9
949.28223	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	949.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	1.0
71.01382	3.9
71.40285	0.7
72.45320	0.5
73.02968	0.6
75.00869	1.5
79.01888	0.7
81.03496	0.7
85.02955	5.6
87.00890	1.3
89.02444	0.8
91.01906	1.8
92.02679	1.5
93.03468	0.7
95.01384	2.3
96.96049	0.7
99.00883	2.3
99.59438	0.6
103.00373	1.0
108.02190	3.6
108.59180	0.5
109.31955	0.5
110.00127	1.1
111.00856	1.7
113.02451	6.8
121.03014	0.7
123.00891	2.3
123.04539	0.6
127.68575	0.5
135.04526	0.6
136.01689	4.0
137.02446	1.8
139.00427	0.8
148.05371	0.8
149.02452	2.8
150.03253	1.0
150.72928	0.6
151.00354	2.2
152.01111	1.3
153.01917	0.6
161.02335	0.7
163.00381	2.0
164.01152	2.0
165.01917	1.8
165.99115	0.9
168.46718	0.5
171.04518	1.1
173.06030	1.1
175.02496	2.5
175.03926	0.7
176.04807	0.7
176.80421	0.6
177.01929	1.2
178.02727	1.0
178.99837	1.4
188.04767	0.9
191.07195	1.5
192.00693	2.6
193.01440	0.7
193.03555	0.7
194.93408	0.6
195.08185	0.7
197.06125	0.7
203.07205	0.7
211.07581	1.0
213.05595	0.8
225.05586	2.1
226.06361	0.9
227.07248	1.0
237.05600	0.7
238.06325	0.8
239.07162	1.5
240.07916	1.2
241.05162	1.1
243.06473	0.7
251.07278	1.1
253.05061	5.4
253.08463	0.8
254.05908	0.7
255.06709	3.7
267.06500	3.0
268.03833	1.0
268.07364	4.6
269.04605	2.0
269.08160	4.7
269.58856	0.7
270.05267	2.5
271.06110	1.5
277.04318	0.6
279.06671	1.6
281.08243	2.1
282.08957	1.5
283.02567	2.1
283.06104	6.5
283.09674	1.7
294.08929	0.8
295.06219	1.8
296.06854	2.0
296.10052	0.6
297.07684	5.3
297.11307	2.6
298.04761	1.2
309.07590	0.9
313.07135	2.7
393.02600	1.5
419.07553	0.6
421.12793	1.1
565.18951	1.6
583.20508	0.9
593.18243	5.8
597.76111	0.6
609.16064	0.6
611.19635	3.0
745.23926	0.9
773.24542	100.0
774.24683	5.8
949.27881	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	951.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25532	0.7
69.25941	1.3
83.01393	5.6
93.03455	5.0
107.01405	17.8
117.03491	1.4
119.05041	33.3
121.02967	1.0
125.02468	3.0
143.05040	1.2
145.03009	3.0
149.02452	1.0
151.00385	61.4
161.06108	0.7
165.01933	5.3
169.01468	3.5
177.01947	5.4
185.06155	2.2
187.04108	1.9
193.01465	0.8
227.07190	3.0
253.05075	0.7
267.06805	0.6
269.04645	1.6
271.06134	100.0
272.06494	1.4
306.10504	0.4
355.06799	4.2
431.09924	0.8
433.11285	2.0
475.12500	73.1
476.12842	1.9
519.11737	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	951.241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	0.9
68.99841	0.7
69.03432	0.7
71.01389	11.5
72.99320	1.4
73.02948	7.5
75.00877	2.9
81.28361	0.7
81.69324	0.6
83.01405	3.2
85.02956	13.2
87.00883	1.7
88.13767	0.6
89.02454	2.9
93.03436	1.0
95.01400	8.0
98.21910	2.6
99.00888	6.7
101.02454	7.3
103.00396	2.4
106.54298	0.7
107.99659	0.6
109.02963	1.5
111.00912	5.3
113.02461	24.9
114.37135	0.6
119.05038	26.1
123.00918	3.1
124.01675	2.3
125.02471	1.7
135.00903	0.9
136.98836	4.2
137.02486	1.7
139.00392	18.8
141.01941	2.4
143.03590	1.3
145.03015	0.7
152.01118	0.8
153.00711	1.5
153.01959	30.0
155.15761	0.6
158.03798	0.6
159.01633	0.5
159.02994	2.0
161.04565	7.5
164.98341	1.6
166.99879	24.2
173.06036	0.8
175.02480	14.4
181.01440	15.0
187.03926	0.7
193.01472	2.9
193.03545	2.5
201.05585	1.7
213.05649	1.3
215.07207	1.0
241.05020	1.2
243.06575	0.8
243.73372	0.6
259.06140	4.0
261.52396	0.7
267.03137	0.7
269.04581	5.3
269.10355	9.2
285.04065	19.1
286.04416	9.3
287.05640	100.0
288.05908	1.8
311.11441	2.5
401.14511	9.0
402.14740	1.0
410.96069	0.6
443.15625	70.9
444.15961	5.5
445.16138	2.6
461.07419	2.5
461.66089	0.7
462.07758	2.4
463.08847	51.4
464.09564	1.1
485.07208	2.1
486.07333	2.2
487.07532	1.4
581.47491	0.7
933.40839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	2.5
72.12351	0.6
73.02952	9.8
83.01405	2.2
89.71728	0.6
96.96023	0.6
97.24253	0.7
101.02452	9.0
113.02465	1.7
124.23106	0.6
131.03589	0.7
143.03493	1.3
155.03618	0.8
161.04578	1.8
203.05612	4.1
277.34515	0.6
455.35342	100.0
456.35745	4.1
469.36880	1.8
497.36279	1.3
527.37122	0.7
615.25604	0.6
761.45300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.9
68.99812	0.5
69.28973	1.4
69.29388	0.7
71.01390	3.6
71.94588	0.4
72.99313	1.3
73.02939	0.8
75.00882	2.5
85.02956	5.5
87.00890	1.6
87.15128	0.4
89.02470	0.8
95.01391	2.1
97.02961	0.9
99.00893	2.5
101.02509	0.6
103.00410	0.5
108.02271	0.5
111.00893	0.6
113.02460	9.5
115.00340	0.7
117.03485	1.1
119.05084	0.5
124.88273	0.4
129.01962	0.5
133.03001	0.9
134.03752	0.6
136.98808	5.5
137.02417	0.7
139.00404	0.7
143.05023	0.9
145.02974	1.4
149.99609	0.7
163.00403	1.5
164.98296	0.7
165.02003	1.0
165.99083	1.0
166.99817	0.6
169.06599	1.0
171.04529	0.8
172.05296	0.5
174.03203	0.7
175.02509	5.1
178.31085	0.4
185.02393	0.8
185.06104	1.9
187.02550	0.5
187.03996	3.3
190.99857	0.7
192.00725	0.7
193.05074	0.7
197.06108	0.6
198.03313	0.6
199.04022	1.8
200.04845	0.9
201.01953	1.1
202.02657	0.6
211.04001	1.1
213.01952	0.6
213.05600	5.9
215.03561	1.6
216.04311	1.5
217.05124	0.9
227.03529	1.5
228.04306	2.5
229.05046	1.8
230.02245	0.6
239.03502	2.0
240.04274	0.7
241.05188	2.7
243.03102	0.8
254.02322	0.6
255.03069	2.1
256.03860	1.6
257.04675	1.2
267.02905	0.4
271.02527	1.1
272.03250	0.8
283.02570	1.9
284.03238	3.2
285.04065	86.1
286.04477	1.7
298.01083	0.5
299.02032	2.7
300.02771	44.9
301.03387	1.8
313.03549	1.5
314.04233	2.2
315.05130	100.0
316.05527	1.8
429.08032	0.9
461.07300	52.0
462.07611	0.9
463.08295	0.6
491.08337	66.7
492.08505	1.2
589.67188	0.5
606.75854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	0.5
68.99821	0.4
69.36256	0.1
71.01380	1.8
72.99290	0.2
75.00880	0.6
79.59232	0.1
83.01389	0.7
85.02956	3.8
87.00882	0.5
89.02452	0.4
92.99841	0.2
95.01395	2.5
96.99324	0.3
98.22680	0.4
99.00890	1.4
103.00381	0.5
107.01393	0.3
108.24159	0.1
109.02983	0.2
110.00093	0.4
111.00893	9.6
113.02459	6.2
115.00375	0.1
117.01941	0.3
121.02949	0.5
123.00892	1.9
124.98820	0.3
125.02470	1.0
129.01923	0.2
133.02962	1.5
134.03734	0.4
135.00890	0.1
135.04535	2.6
136.98817	2.0
137.02480	0.6
139.00391	11.1
140.01099	0.2
143.05020	0.4
145.03055	0.2
147.00909	0.2
147.04639	0.3
149.02473	0.7
151.00377	1.1
151.03979	0.2
153.01901	0.1
155.05051	0.2
157.02922	0.2
157.06541	0.3
158.03720	0.3
159.04532	0.9
161.02487	0.8
161.06055	0.2
163.00362	0.2
164.98309	1.7
165.01968	0.5
165.99129	0.4
166.99876	4.3
167.05089	0.2
169.01468	0.2
169.02901	0.1
171.04556	0.7
173.02454	0.3
173.06105	0.2
175.02518	2.8
175.03999	0.5
176.01198	0.2
177.01939	1.9
178.99892	0.5
182.03763	0.2
183.04469	0.8
185.02440	0.7
185.06070	0.6
187.04022	0.9
189.02072	0.2
189.05577	0.4
190.99953	0.2
192.00658	0.4
193.01422	0.4
195.04546	0.3
198.03249	0.2
199.04008	1.0
201.01968	1.3
201.05556	0.9
203.03583	0.3
205.05157	0.1
211.04015	1.7
213.01952	0.3
213.05614	0.4
214.02734	0.4
215.03514	1.0
227.03503	1.3
228.04112	0.2
229.05063	0.7
230.02242	0.1
233.04504	0.7
237.01984	0.2
239.03481	1.3
241.01451	0.5
242.02130	0.2
245.04575	0.2
255.03081	1.1
257.04648	0.6
258.01752	0.1
259.02478	0.5
271.02472	0.8
273.04031	0.4
283.02457	1.0
285.04034	0.1
298.76291	0.1
299.02005	8.5
300.02399	0.9
301.03549	100.0
302.03876	2.3
313.03543	0.2
343.04596	1.7
373.05734	1.2
377.41016	0.2
397.05701	0.4
415.06821	0.3
475.05145	0.5
475.18060	0.7
476.18607	0.7
477.06775	19.7
477.18219	0.5
478.07205	0.5
680.66565	0.1
763.38696	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	953.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93691	0.4
67.01882	0.9
67.20348	0.3
68.99814	1.1
69.03464	2.0
69.17761	1.8
71.01361	0.7
81.03481	1.9
82.57558	0.3
83.01392	1.2
85.02953	1.9
87.71464	0.4
91.01916	0.7
93.03464	16.0
95.01387	5.2
96.99330	0.5
103.41245	0.4
104.02670	0.9
107.01405	1.0
107.05027	1.2
109.02953	6.9
110.00090	1.5
111.00883	3.5
113.02454	3.1
117.03439	0.5
119.01404	1.7
120.02114	0.6
123.00903	0.5
123.04512	0.5
124.01649	1.0
127.04015	1.7
130.04176	0.4
131.05034	0.6
132.97966	0.4
133.02945	3.0
134.99911	0.8
135.00894	9.9
135.04533	14.2
136.98830	0.7
137.01450	0.6
137.02458	8.5
139.00385	0.4
145.06560	1.2
148.01666	1.8
151.04022	2.2
152.01120	0.5
153.01918	0.6
153.07126	0.4
155.08681	0.8
156.05804	1.1
157.01414	1.6
157.06615	1.4
161.02457	8.4
162.98988	0.5
163.00378	10.3
164.98296	1.0
165.99118	0.8
169.06593	1.3
171.04570	1.2
171.08180	3.0
172.05116	0.4
173.06105	4.5
176.01158	3.8
179.03491	2.0
179.08649	0.5
181.01472	2.2
181.06531	0.9
184.05128	0.5
187.07619	0.6
194.89102	0.4
195.08159	1.8
197.06073	2.1
197.09787	0.9
198.06812	0.9
199.07678	4.4
201.05554	0.5
209.06131	0.8
211.07610	0.9
213.05788	0.8
213.09229	5.5
221.06094	0.9
223.07593	2.6
225.05600	2.9
226.06390	0.4
237.05617	0.6
239.07138	7.0
241.08714	6.7
241.10956	0.7
243.06596	5.7
249.05629	0.8
257.00949	2.3
257.08249	1.2
267.06631	46.1
268.06967	0.9
269.04526	1.8
270.05307	1.1
285.04141	3.4
285.07706	17.4
286.07770	0.5
329.06674	100.0
330.06946	2.8
461.07059	1.2
623.19922	11.3
624.20782	0.5
655.69690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.4
68.99819	0.4
69.03471	0.1
69.59543	0.2
71.01385	1.8
72.99307	0.3
73.02948	0.2
75.00867	0.7
79.01896	0.1
82.00612	0.1
83.01393	1.0
84.02174	0.1
85.02955	3.4
86.03295	0.1
87.00884	0.4
89.02446	0.2
89.03979	0.1
92.99811	0.1
93.03493	0.1
95.01391	2.5
95.02013	0.1
95.05035	0.1
96.99323	0.2
97.02975	0.1
99.00883	1.6
101.02497	0.1
103.00368	0.5
107.01416	0.4
107.05021	0.1
108.02179	0.2
109.02957	0.3
110.00093	0.4
111.00890	10.1
112.01237	0.2
113.02458	5.4
114.02824	0.1
115.00373	0.2
117.01947	0.4
117.03433	0.1
119.05064	0.1
120.99293	0.1
121.02972	0.3
123.00898	2.6
124.98814	0.2
125.02462	1.1
129.01961	0.2
131.05072	0.1
133.01421	0.2
133.02971	1.0
134.03772	0.4
135.00911	0.3
135.04533	3.1
136.04903	0.1
136.98814	1.4
137.02458	0.5
137.99396	0.0
139.00385	10.1
140.00751	0.3
141.01923	0.3
143.05054	0.3
145.02985	0.1
145.06567	0.1
147.00870	0.2
147.04550	0.2
149.02449	0.8
151.00378	1.2
151.04010	0.2
155.05038	0.1
157.01474	0.1
157.02933	0.1
157.06610	0.3
157.08020	0.1
158.03752	0.3
159.04529	0.8
161.02454	0.7
161.06113	0.2
163.00404	0.2
163.04021	0.1
164.01166	0.1
164.98312	1.1
165.01962	0.6
165.99098	0.5
166.99875	5.2
167.05026	0.2
168.00253	0.1
169.01532	0.1
169.02864	0.1
171.04524	0.4
173.02451	0.2
173.06111	0.2
174.03255	0.1
175.02512	3.4
175.04022	0.3
176.01221	0.1
176.02843	0.1
177.01936	2.1
177.03500	0.1
177.05432	0.1
178.99849	0.5
182.03766	0.1
183.04498	0.6
184.05312	0.2
185.00948	0.1
185.02466	0.4
185.06070	0.7
186.03180	0.1
187.04013	1.2
189.01823	0.1
189.05521	0.4
190.99879	0.2
191.03481	0.1
192.00604	0.5
193.01431	0.3
193.03049	0.1
195.04539	0.3
196.05086	0.1
198.03079	0.1
199.03973	0.3
200.01154	0.1
200.04541	0.1
201.01952	0.6
201.05612	1.3
201.70468	0.1
202.05817	0.1
203.03557	0.3
205.05080	0.2
206.01732	0.1
209.02542	0.1
210.03133	0.1
211.04015	1.6
212.04524	0.1
213.01994	0.3
213.05516	0.3
214.02657	0.5
215.03540	1.2
227.03535	0.7
228.04106	0.1
229.01462	0.1
229.05072	0.7
231.03036	0.2
233.04582	0.8
237.01970	0.2
239.03510	1.2
240.04222	0.1
241.01468	0.5
242.02173	0.2
245.04619	0.2
255.03023	1.1
256.03741	0.1
257.04568	0.5
258.01730	0.2
259.02438	0.7
260.02875	0.1
271.02512	0.1
273.03955	0.3
283.02466	1.1
299.02066	0.5
300.02478	0.3
301.03543	100.0
302.03876	6.0
303.04080	1.3
313.03522	0.2
343.04568	1.9
344.05249	0.1
345.05368	0.1
367.04358	0.1
371.04135	0.1
373.05682	1.2
374.06226	0.1
379.04922	0.1
382.17749	0.1
385.05658	0.2
397.05777	0.4
415.06598	0.3
463.20514	0.1
477.06750	27.6
478.07147	1.8
479.07697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36311	1.1
75.88469	1.3
82.45900	1.2
82.61475	1.0
84.79283	1.1
87.06130	1.2
124.01665	1.2
136.98837	4.1
149.02469	1.4
155.74055	1.1
161.02510	1.4
164.81628	1.2
164.98297	12.2
183.04579	1.6
242.08313	2.2
255.02898	7.3
269.04547	5.4
270.07745	4.6
283.02487	59.0
284.02957	1.8
285.03488	1.3
297.04105	2.0
298.04822	41.2
298.08218	2.5
313.07202	100.0
314.07565	2.7
393.02890	61.2
394.03156	2.7
588.62341	1.3
633.03613	1.3
747.25177	1.3
834.29388	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	955.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48254	0.3
71.01382	0.7
85.02959	1.3
95.01382	0.9
99.00874	0.9
113.02459	3.3
117.03461	3.5
128.08884	0.3
136.98795	0.4
140.25092	0.3
154.04225	1.9
159.70898	0.4
161.02432	0.6
165.01912	0.5
169.06599	0.7
175.02466	1.8
178.99907	1.7
185.02480	0.6
195.04430	0.4
197.06104	0.8
198.03294	1.1
207.04498	0.6
223.04030	1.1
225.05707	0.6
226.02710	7.9
235.03976	0.7
238.02791	1.2
241.05099	1.0
246.43997	0.3
251.03513	0.6
254.02248	3.0
258.01624	0.8
266.02310	0.8
269.04568	31.6
270.05048	0.7
282.01910	0.4
297.04059	88.3
298.04340	2.9
312.06409	16.7
313.06940	0.7
321.51706	0.4
327.08746	100.0
328.09122	4.1
334.03131	0.3
392.64502	0.3
407.04437	94.5
408.04727	5.0
445.07770	4.0
723.52454	0.4
750.02258	0.4
810.81348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01952	0.6
68.99867	0.6
69.54166	2.0
71.01384	4.8
72.99359	0.8
73.02996	0.7
83.01422	1.0
85.02958	7.8
87.00893	1.1
89.02471	1.1
93.03524	1.0
95.01407	4.0
96.99348	0.6
98.22668	0.9
99.00907	3.4
103.00438	1.6
110.00208	1.7
111.00871	3.1
113.02460	12.6
115.00442	0.8
117.02017	1.1
119.05042	11.5
120.02232	0.7
123.00936	1.4
124.01753	0.9
129.01988	0.6
133.03044	2.0
136.98807	5.4
137.02472	0.9
139.00397	10.1
139.01413	0.7
141.02010	1.6
145.03023	0.6
153.01958	14.8
153.03108	0.9
163.00458	2.3
164.01157	6.1
164.98283	1.3
165.99123	1.3
166.99887	13.8
167.01207	0.9
175.02505	8.1
175.03954	0.9
181.01443	6.5
187.04132	0.6
189.05731	0.8
193.01511	1.8
193.03447	0.9
199.04124	0.9
200.04994	0.8
201.01903	1.1
202.02734	0.7
216.04289	1.6
217.57576	0.6
227.03571	0.9
228.04298	0.7
230.02159	1.4
241.05287	0.8
243.03119	0.9
243.06609	0.8
255.03172	0.9
259.06131	2.8
269.04596	2.9
271.02603	1.7
283.02533	1.2
285.03976	3.0
286.04376	1.4
287.05640	59.3
288.05957	1.3
299.01962	2.6
300.02780	100.0
301.03165	2.8
315.05127	76.7
316.05502	2.4
317.05118	1.1
379.47614	0.6
461.07144	0.8
463.08871	35.9
491.08368	56.1
492.08597	1.8
861.49683	0.7
933.18988	0.6
952.24982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	0.9
68.99799	0.8
69.13838	0.7
69.14247	2.0
71.01391	5.0
72.99310	1.4
73.02945	0.4
74.42114	0.4
75.00870	2.1
81.03460	0.5
82.00598	0.5
82.30728	0.3
82.99748	0.4
83.01392	2.5
85.02960	12.1
87.00867	1.3
89.02431	1.0
93.03468	1.6
95.01399	4.9
98.21869	0.7
99.00887	4.7
103.00388	2.1
104.36855	0.4
109.02958	1.5
110.00098	3.1
111.00898	4.5
113.02466	24.4
115.00380	0.9
117.01940	0.9
119.05044	21.4
123.00915	2.7
124.01682	1.5
124.98819	0.4
129.01950	0.5
131.03482	0.4
134.03758	0.9
135.00905	0.4
136.52571	0.4
136.98822	4.1
137.02443	1.1
137.99582	1.4
139.00397	17.9
141.01978	1.9
145.02985	0.5
148.90898	0.4
152.01167	0.5
153.01952	26.8
154.02261	0.5
164.98302	1.4
165.99098	3.6
166.99881	22.5
173.06187	0.7
175.02498	16.4
181.01451	14.1
189.05600	0.7
193.01453	3.4
193.03534	2.2
200.04823	0.5
201.05728	1.0
225.05649	0.9
241.05061	1.3
243.06682	1.1
259.06116	3.2
269.04614	5.3
283.02454	0.5
285.04001	1.1
286.04648	0.5
287.05646	100.0
288.05960	3.7
297.00482	0.6
300.02792	28.2
301.03430	1.3
315.05148	27.1
316.05643	0.9
317.05148	0.8
463.08911	43.3
464.09222	1.7
491.08307	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	955.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99835	1.1
71.01389	12.7
72.99318	2.7
73.02966	1.0
75.00882	6.3
75.09654	0.5
82.00613	3.4
83.01405	1.3
84.02178	0.7
85.02960	30.9
87.00881	4.2
89.02458	1.8
93.03465	2.7
95.01399	10.6
99.00896	10.5
103.00388	6.1
110.00108	23.2
111.00886	2.0
113.02462	78.7
115.00396	2.4
117.01945	3.4
119.05040	15.5
122.00128	0.6
123.00876	1.1
124.01693	3.3
125.99575	0.9
129.01955	2.1
136.98813	2.3
137.02449	1.7
137.99605	9.4
139.00371	5.4
140.01187	0.8
152.01183	4.1
155.03601	0.6
157.01430	1.9
165.99091	34.5
166.99872	13.4
175.02496	65.2
176.02850	1.1
178.99864	1.4
180.00667	8.1
181.01450	13.0
185.05992	1.0
187.03891	0.6
192.00710	1.4
207.03061	1.2
229.05183	1.7
230.05869	2.1
239.02550	0.5
258.05328	1.5
268.03802	0.6
283.02475	0.7
286.04852	67.9
287.05270	1.3
301.07196	100.0
302.07452	2.5
303.21997	0.6
404.36151	0.7
477.10440	40.0
478.10846	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	955.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01928	0.8
68.99801	1.1
70.62453	0.7
70.92359	0.7
71.01404	5.7
72.99327	1.0
77.13039	0.7
79.97662	0.6
83.01370	1.1
85.02956	5.9
86.17146	0.7
89.02441	2.6
93.03468	2.0
95.01383	2.1
95.05016	1.4
96.99341	0.6
107.05033	0.9
109.02928	1.9
110.00152	0.9
113.02461	16.0
119.05013	1.7
121.02969	1.3
123.04482	1.2
126.02032	0.8
131.05019	1.3
133.02968	18.7
135.04535	17.2
136.98834	2.0
137.06079	0.8
139.03995	1.5
152.06482	0.7
153.05577	1.0
159.04510	2.9
161.02458	71.2
163.04053	2.0
165.99028	1.6
171.04550	0.9
173.43427	0.8
175.02477	4.0
175.03963	1.7
179.03574	3.5
181.05046	2.8
185.02501	1.1
197.06026	1.0
203.03516	9.2
215.03526	1.3
215.07137	9.9
223.07838	0.9
225.09268	1.4
227.03535	1.8
240.37637	0.7
251.07234	3.8
259.02466	3.1
269.08160	3.3
286.04819	4.7
287.09225	3.5
299.02020	22.0
300.02380	1.2
301.07129	6.6
312.05170	3.2
313.05469	1.6
315.10709	1.1
330.06091	1.0
331.04721	1.6
331.08194	6.6
331.11978	1.4
460.72525	0.8
461.16809	5.3
477.10278	2.5
581.89972	0.8
623.19830	100.0
624.19940	5.7
625.19580	1.0
664.79962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59646	0.3
69.34039	1.1
71.01380	0.5
87.72893	0.3
110.00343	0.3
119.05083	0.3
121.03018	0.8
122.02499	18.6
147.04585	1.5
148.05325	100.0
149.05615	1.6
163.07671	97.6
164.08064	1.5
185.87029	0.4
240.47853	0.3
248.22913	0.3
367.13989	0.8
459.27710	0.3
569.29785	0.3
750.27490	0.3
873.37842	0.4
938.39355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	0.6
68.99866	0.3
69.24264	1.9
71.01384	2.4
71.39174	0.3
72.99302	0.8
73.02983	0.3
75.00879	0.8
85.02969	2.7
86.78574	0.3
87.00885	0.4
89.02435	0.4
93.03485	0.4
95.01392	1.0
97.02962	0.4
99.00882	1.0
103.00385	0.4
109.01250	0.3
111.00841	0.4
113.02464	4.2
115.00367	0.6
117.03474	1.4
119.05039	0.6
123.00906	0.5
136.98914	0.4
137.02464	0.8
139.00352	0.5
143.05019	0.9
145.02975	1.9
154.77345	0.3
163.00404	0.7
165.01959	0.6
167.05093	0.4
169.06635	0.8
171.04530	1.7
175.02486	1.8
177.39789	0.3
185.06044	2.5
187.04028	3.6
189.05550	0.4
190.99826	0.4
192.00644	0.7
195.04572	0.4
197.06078	1.0
199.04036	0.6
201.05580	0.6
211.04128	0.7
213.05592	6.9
215.03526	1.0
223.04108	0.4
229.05118	1.3
239.03476	1.0
240.04366	0.4
241.05081	3.0
242.05196	0.4
255.02954	0.8
256.03842	0.4
257.04703	1.6
283.02496	1.5
284.03299	3.6
285.04071	100.0
286.04425	2.7
461.07306	65.6
462.07825	2.8
546.61145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	0.6
71.01387	8.9
71.41348	0.3
72.99334	1.6
73.02950	0.9
75.00872	3.5
83.01405	0.6
84.02150	0.4
85.02960	22.1
87.00874	2.3
89.02464	1.2
95.01400	6.7
99.00890	6.9
101.02448	0.4
103.00383	3.2
110.00077	1.7
111.00908	0.8
113.02464	45.1
115.00381	1.6
117.01920	1.6
119.01443	0.6
129.01945	1.6
137.02452	0.9
137.99620	0.6
155.43156	0.4
157.01401	0.8
163.00389	7.0
165.99098	1.5
171.04445	0.7
175.02498	26.3
180.05881	0.4
182.03716	0.5
184.05302	2.8
195.04686	0.3
196.05299	1.7
198.03365	1.6
199.22629	0.3
211.04012	0.9
212.04739	0.5
214.68889	0.3
223.04027	0.5
224.04828	1.3
239.03522	2.0
240.04338	1.4
257.37195	0.3
267.02969	2.1
268.03787	100.0
269.04126	1.3
283.06143	75.7
284.06555	0.9
459.09390	19.0
460.09158	0.5
480.63913	0.4
787.11029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.2
69.79483	0.4
69.79864	0.4
79.13825	0.2
79.58752	0.2
83.01378	0.6
86.38460	0.2
87.52185	0.2
93.03468	0.2
95.01384	0.8
98.21911	0.2
99.00941	0.2
101.03141	0.2
107.01389	0.4
109.02961	0.3
111.00895	7.3
112.01315	0.2
121.02963	0.2
123.00877	2.0
124.98783	0.3
125.02453	1.0
126.65089	0.2
133.02959	0.7
134.03783	0.2
135.04520	2.1
136.98824	1.0
137.02426	0.3
138.43172	0.2
139.00385	8.3
140.01164	0.3
145.02887	0.2
147.00868	0.3
149.02446	0.5
151.00349	0.9
157.06621	0.2
159.04559	0.5
161.02451	0.6
164.98375	0.9
165.01947	0.4
165.99077	0.3
166.99866	4.3
171.04523	0.4
173.06047	0.3
175.04010	0.2
177.01968	1.8
178.99870	0.4
183.04509	0.5
185.02426	0.3
185.06131	0.4
187.04051	1.2
187.51917	0.2
189.05548	0.3
192.00667	0.3
193.01431	0.2
195.04541	0.5
199.04010	0.3
201.01895	0.5
201.05550	1.0
203.03432	0.3
205.05029	0.4
211.03998	1.4
213.05551	0.4
214.02687	0.5
215.03520	1.1
227.03435	0.6
229.05060	0.6
231.03186	0.2
233.04488	0.9
239.03560	1.0
245.04587	0.3
255.03017	0.9
257.04584	0.5
259.02402	0.6
273.04037	0.3
283.02414	0.9
301.03549	100.0
302.03857	2.1
380.99237	48.9
381.99405	1.3
387.89871	0.2
647.00159	0.2
838.77209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10052	6.9
71.01379	10.5
73.39194	1.0
85.02962	10.0
89.02439	5.2
95.01400	4.1
101.02430	2.7
108.96484	1.2
111.66662	1.0
113.02466	30.5
119.03516	1.3
123.04530	1.6
135.04543	20.5
141.01901	2.2
153.05559	1.8
161.04587	2.2
209.01376	1.5
219.52203	1.1
251.02353	1.6
280.70837	1.1
299.44330	1.2
315.10849	4.9
330.65771	1.0
353.05634	3.1
461.16699	100.0
462.16956	4.6
463.16714	1.4
469.16748	1.3
472.64542	1.2
479.08472	2.5
497.09760	1.2
499.11444	14.3
695.56018	1.2
762.66608	1.2
819.22156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04231	0.8
69.04652	0.7
72.69184	0.2
79.95743	23.0
80.96518	1.7
88.41868	0.2
110.00072	1.1
111.36172	0.2
116.34621	0.2
119.01401	0.4
123.27805	0.2
137.99594	0.5
139.05600	0.3
139.93954	0.2
160.01706	0.2
163.00375	5.3
165.99097	1.3
171.04536	0.7
172.24823	0.2
184.05310	1.7
195.04417	0.4
196.05333	1.6
198.03206	1.8
211.04005	0.6
212.04865	0.6
223.04073	0.3
224.04781	2.0
239.03481	1.6
239.07249	0.5
240.04268	0.9
247.56216	0.2
253.05154	0.5
267.03009	1.5
268.03784	95.7
269.04095	2.2
283.06140	39.2
284.06549	0.7
363.01822	100.0
364.02173	2.4
457.11374	0.7
480.39551	0.2
499.46140	0.2
883.22473	0.2
944.05627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99775	0.8
71.01384	6.1
72.99263	0.9
73.02924	0.6
75.00874	3.5
84.02116	0.3
85.02956	16.5
87.00884	1.6
89.02396	1.0
93.54018	0.3
93.91035	0.3
94.20714	0.3
95.01392	5.1
98.22653	0.6
99.00889	5.3
101.03979	0.4
103.00369	3.3
104.81857	0.3
107.01346	1.1
110.00056	0.6
113.02459	35.3
115.00330	1.0
117.01950	1.8
129.01907	1.3
137.99533	0.4
139.05489	0.4
140.00980	0.3
143.05043	2.0
145.02942	2.6
150.53656	0.3
151.00305	0.4
153.01875	0.4
157.01392	1.0
163.00392	3.4
165.07152	0.4
165.99084	0.9
167.05099	0.3
173.02425	0.7
175.02493	18.3
180.05952	0.4
181.06592	0.6
184.05243	1.2
185.06071	0.8
189.01878	0.8
196.05261	0.6
197.06015	0.4
198.03201	0.7
209.06105	2.4
211.04033	1.1
212.04868	0.5
224.04715	1.5
225.05533	0.4
239.03516	0.8
240.04320	0.3
247.07669	0.5
253.05069	100.0
254.05476	2.4
267.02969	0.9
268.03778	42.6
269.04358	1.9
283.06131	35.5
284.06519	0.7
291.06677	1.3
297.04092	1.1
319.06100	2.2
327.08966	1.0
341.08813	0.6
344.71274	0.3
407.04480	1.2
429.08267	20.9
430.08746	1.0
439.10324	4.3
487.13004	0.6
502.76660	0.3
696.27594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	0.4
70.46793	0.5
71.05032	0.5
97.06602	0.3
99.00883	0.4
101.02453	0.3
109.06617	0.5
110.82298	0.3
113.02512	0.3
120.93579	0.3
124.01734	0.5
135.08183	1.7
137.09758	1.7
149.09732	0.6
150.69467	0.2
173.13441	0.3
175.11255	1.2
178.14610	0.2
180.60741	0.2
181.92131	0.3
189.12869	1.7
191.14433	3.0
229.15898	0.8
231.17586	1.0
245.19119	10.1
273.18558	2.0
285.04163	0.4
289.18170	1.6
291.19690	46.6
292.20029	1.5
317.17624	0.9
335.18610	3.3
361.16592	10.5
362.16888	0.6
379.17645	100.0
380.17972	4.2
384.91119	0.3
477.25040	0.3
752.14886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01408	0.6
93.03478	0.8
107.01393	2.2
117.03466	5.1
121.02962	0.8
126.31081	0.3
147.00899	0.3
149.02440	2.4
151.00395	2.2
157.06549	0.4
159.04535	1.4
161.02446	2.0
169.06631	0.5
181.06583	0.7
183.04514	2.6
196.05286	1.3
197.06065	1.5
199.03979	0.3
201.05574	1.4
216.19991	0.3
224.04767	0.8
225.05643	3.8
227.03555	0.8
237.05594	0.4
240.04320	1.1
241.04962	0.4
253.05110	0.6
260.92300	0.3
268.03772	0.6
269.04575	100.0
270.04941	2.1
281.04578	0.7
293.04404	0.4
311.05667	1.8
431.09860	2.2
473.10925	84.7
474.11185	3.3
517.09717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01915	0.3
68.99825	0.4
71.01396	2.1
72.82481	0.2
73.02936	0.4
75.00867	0.5
79.20337	0.3
83.01389	1.0
85.02957	3.4
87.00891	0.8
88.34382	0.2
89.02461	0.3
95.01390	2.0
99.00898	1.5
103.00392	0.6
110.00124	0.3
111.00896	8.8
113.02464	5.3
117.01939	0.3
120.36911	0.2
121.02989	0.5
121.11977	0.2
123.00909	1.7
124.72189	0.3
124.98805	0.3
125.02431	0.8
129.01923	0.3
133.02960	0.8
135.04521	2.5
136.98819	0.8
137.02455	0.5
139.00398	9.3
149.02448	0.7
151.00357	1.0
151.04027	0.3
155.04008	0.3
159.04510	0.8
161.02475	0.8
161.05974	0.3
161.07217	0.3
164.98340	0.8
165.01997	0.4
165.99115	0.5
166.99876	4.5
167.83449	0.3
171.04581	0.5
173.02415	0.4
175.02510	3.0
177.01968	1.3
183.04494	0.7
183.20042	0.3
185.02484	0.3
185.06145	0.4
187.04025	1.1
189.05411	0.3
189.06862	0.4
192.00681	0.3
193.01440	0.7
195.04607	0.3
201.02002	0.6
201.05634	1.0
203.08112	0.3
205.05043	0.3
211.03990	1.2
213.05489	0.4
214.02730	0.3
215.03572	1.0
227.03535	0.8
229.05077	0.6
233.04492	0.7
239.03500	1.3
241.01346	0.4
255.03027	0.8
257.04633	0.4
259.02612	0.8
269.00842	0.6
283.02429	1.0
285.03885	0.3
297.00522	0.7
299.02017	1.0
300.02451	0.4
301.03555	100.0
302.03812	2.2
313.03714	0.3
325.11868	0.4
343.04715	1.6
369.10681	0.3
373.05652	1.4
415.06827	0.5
477.06787	27.5
478.07065	0.7
485.17914	0.6
486.17719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86942	6.6
70.67126	10.7
71.01389	10.1
77.35239	6.3
91.75491	7.3
93.03482	14.0
107.71162	6.9
117.03477	74.8
119.77583	8.8
135.04489	7.8
138.46443	6.6
161.24373	7.1
183.04507	10.7
185.02354	8.1
219.10580	6.6
255.03119	50.1
258.63632	6.5
259.13489	8.3
274.91476	7.9
277.21710	38.7
298.66953	8.0
311.13120	8.4
329.13937	17.2
337.97980	7.8
361.18271	8.1
377.17697	11.0
387.15802	20.7
405.17172	40.7
468.04987	7.6
801.43994	11.3
825.44427	37.2
891.48883	11.4
901.47308	21.0
917.46802	13.1
919.48541	16.7
945.46564	100.0
963.47998	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42519	7.8
71.01408	13.4
104.67789	8.5
108.46444	9.7
113.35725	9.2
117.03490	82.0
159.04483	15.0
161.02415	9.9
183.04529	18.3
227.03467	13.1
255.03062	85.7
277.21725	57.2
292.85870	8.8
387.15900	16.0
403.15738	9.8
405.17068	25.6
801.44006	32.1
901.47498	18.6
917.47388	23.0
919.49231	18.9
928.82288	11.4
945.46631	100.0
963.47101	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6872
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39895	1.6
78.76774	0.4
81.03463	5.7
83.05034	11.6
97.78561	0.4
123.52509	0.4
125.07268	0.7
151.99419	0.4
174.14117	0.4
183.05565	0.4
207.15033	1.0
224.17686	1.7
225.16103	8.8
285.03937	0.6
309.21890	0.6
333.23041	0.5
341.29449	0.6
367.27274	0.9
433.31973	1.1
450.34436	1.1
451.32925	7.4
455.10135	0.9
496.50681	0.4
567.46216	0.6
593.45410	0.6
677.49554	1.6
885.65900	0.8
903.66608	100.0
904.66919	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	965.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26703	2.3
69.27125	2.6
74.53463	0.8
83.01398	3.7
85.02948	1.2
99.00910	1.0
107.01405	9.7
109.85389	0.9
110.00098	1.0
113.02477	2.0
133.02930	1.1
145.06673	1.2
149.02460	1.2
151.00383	26.7
164.04840	0.9
164.98398	0.8
165.01947	0.9
169.06558	1.2
171.04500	2.0
177.01906	5.9
179.18620	0.8
183.08238	1.1
185.06087	0.9
190.02805	1.1
190.31308	0.8
203.03690	0.8
211.07640	2.2
213.05598	6.3
243.06627	1.3
255.06639	75.4
256.06976	3.8
268.03690	1.0
269.04584	6.9
271.06049	2.9
297.07806	1.7
329.06818	1.2
347.18567	3.6
348.18964	1.9
405.69446	1.0
416.32809	0.9
417.12009	2.2
445.07956	0.9
459.12994	100.0
460.13229	3.6
473.11121	2.6
475.12256	1.3
503.11987	2.0
859.54584	1.2
921.36871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	0.9
71.42549	0.7
93.03473	3.4
113.02480	1.5
117.03479	14.6
119.05095	0.7
121.02947	0.7
133.02983	0.7
134.03741	1.4
135.04520	0.7
145.02965	0.7
150.03242	2.0
159.04501	1.0
161.02438	2.3
162.30402	0.9
163.04031	1.3
165.05542	0.8
173.02460	8.6
185.02434	2.8
187.04056	2.1
189.01950	3.0
193.05081	0.8
197.02466	2.4
203.03474	0.7
215.03531	4.3
217.01385	3.4
240.03413	0.8
241.01361	1.8
260.71674	0.7
263.07162	0.7
269.04526	1.6
283.02438	0.8
284.03241	1.2
285.04120	3.3
293.04602	1.3
299.05545	0.8
305.04639	6.5
306.05405	5.9
307.06033	8.0
323.05930	0.9
335.05643	64.4
336.05975	0.9
365.06540	1.4
395.07935	0.9
455.09860	68.6
456.10266	1.8
489.10345	3.2
575.14099	100.0
576.14410	3.3
597.51923	0.7
888.31702	0.7
900.56940	0.7
965.27142	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	965.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23343	2.8
69.22533	5.8
69.22945	11.2
69.78793	2.8
85.77650	3.0
93.03470	12.2
95.79189	2.9
96.96082	3.0
98.21896	6.5
117.03480	32.5
119.05085	4.6
135.04527	3.0
181.06740	3.4
196.45715	2.8
229.04999	6.1
257.04590	8.0
277.21878	20.5
335.16684	3.4
405.17123	4.4
469.42743	3.4
701.12207	3.6
864.91711	3.3
898.23328	3.9
947.48236	8.5
965.49231	100.0
966.49725	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	965.491
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	3.4
83.01394	2.0
87.00874	1.3
89.02457	2.3
93.03454	10.9
97.02908	1.4
98.22680	4.5
101.02444	2.2
113.02479	1.8
117.03483	45.3
119.05038	3.7
135.04541	3.4
137.02480	3.4
145.02800	1.5
148.02011	1.3
159.04526	3.4
161.02435	2.1
161.04480	1.6
171.04538	2.8
183.01195	3.4
185.06006	4.0
187.03947	2.7
197.02812	1.9
201.05574	3.5
209.11769	1.6
227.07141	2.1
229.05170	2.6
237.05513	1.7
239.07155	2.0
241.05057	3.7
255.06569	2.4
257.04602	8.0
265.05157	1.7
266.05652	1.8
267.06625	2.3
271.13196	1.7
277.21750	26.3
279.16238	1.7
287.12784	1.8
289.14432	3.6
294.04950	1.4
311.16882	19.1
313.14423	2.8
347.99384	1.5
363.16025	1.5
377.14020	3.1
389.13879	4.3
405.17096	2.5
407.15005	2.8
415.15170	2.0
433.16266	3.7
451.17651	6.0
456.81940	1.4
481.77551	1.5
760.61346	1.5
815.40387	1.7
947.48047	8.2
965.49036	100.0
966.49091	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	965.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72836	4.3
69.73193	2.3
71.01372	2.8
87.95123	1.2
89.02478	2.6
93.03454	11.1
95.01373	2.3
101.02442	2.0
105.21986	1.4
107.01379	1.6
113.02446	2.7
117.03474	44.3
119.03473	1.3
119.05076	2.2
135.04549	3.5
137.02461	3.0
145.03008	1.9
146.03804	1.6
151.50432	1.7
159.04546	2.1
161.02390	3.1
163.50563	1.4
185.06084	2.4
187.04045	3.0
201.05562	2.9
211.07513	1.4
211.13406	4.0
213.05638	2.5
221.11821	1.9
223.13458	2.1
227.07132	2.1
229.05070	3.9
239.03584	1.9
239.07343	1.6
241.04982	3.3
253.05249	1.8
255.06659	1.8
257.04568	5.2
263.12991	2.5
265.05048	1.7
267.06522	2.9
271.13351	2.4
277.21811	14.0
289.14551	2.8
289.18002	2.0
307.15714	2.3
307.19269	4.1
311.16800	3.0
313.91052	1.5
363.15939	2.3
377.13989	2.3
379.15497	1.8
389.13831	2.3
397.13309	2.1
407.14923	4.2
415.15076	1.9
433.16519	3.1
451.17932	3.8
635.83118	1.6
705.27063	2.7
755.51270	1.7
803.44733	2.0
947.48737	7.5
965.49060	100.0
966.49487	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	967.179
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99830	0.5
71.01402	0.7
79.84029	0.4
83.01388	0.6
85.02957	1.8
93.03449	0.5
95.01399	2.8
95.28256	0.4
98.22791	0.9
99.00847	0.5
103.27136	0.4
110.00111	0.4
110.62573	0.4
111.00887	7.8
113.02470	2.1
117.03490	0.5
119.05045	5.3
123.00897	1.7
125.02433	1.3
133.02975	1.5
136.98830	1.6
137.02472	1.0
139.00386	11.5
143.05070	0.7
151.00366	3.2
161.02441	2.0
164.98302	1.4
165.02034	1.0
166.99847	2.8
167.05063	0.5
169.06602	0.5
171.04521	0.8
173.06209	0.7
175.02478	0.6
178.99924	0.8
179.05048	0.8
185.06099	1.1
192.00571	0.8
195.04449	0.7
197.06233	0.8
199.04094	0.9
213.05615	1.2
217.05115	0.8
223.04129	2.8
225.02020	1.1
239.03537	1.9
241.05098	1.0
242.02254	0.6
243.02798	0.5
267.02960	1.1
285.04074	100.0
286.04428	2.2
310.66992	0.4
328.38684	0.5
329.06787	0.8
360.97372	0.5
461.07318	27.2
462.07837	1.1
616.55627	0.5
623.19971	1.0
777.74884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.216
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53665	2.0
83.01396	6.6
85.07357	0.6
85.65624	0.5
86.06969	0.5
93.03465	4.9
107.00723	1.0
107.01404	14.3
117.03462	1.1
119.05038	29.2
121.02989	0.8
125.02477	2.9
133.02950	0.7
137.02489	0.8
143.04999	1.0
145.02982	2.5
149.02495	0.6
151.00389	58.1
152.00706	0.8
161.06097	0.7
165.01927	5.7
166.59380	0.5
169.01440	3.3
177.01964	5.0
185.06110	2.6
187.04013	2.2
193.01437	1.0
208.96034	0.6
227.07098	3.4
246.84358	0.6
253.04912	0.6
269.04535	1.3
271.06140	100.0
272.06479	2.2
284.03241	0.6
285.03897	1.3
289.19501	0.6
313.07413	0.9
349.18356	0.6
355.06726	6.2
433.11386	1.5
475.12503	74.8
476.12668	3.6
519.11713	0.9
565.61951	0.6
595.22113	0.7
643.24188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72002	0.3
69.96744	0.3
71.43729	0.4
74.37822	0.3
79.95737	0.6
81.79352	0.3
82.20889	0.3
93.03432	0.3
102.50417	0.3
117.03476	1.0
119.05026	0.6
137.71622	0.3
141.34207	0.3
167.22183	0.4
177.80299	0.3
183.01213	5.3
184.01907	0.6
197.02789	19.5
198.03557	4.5
211.04387	0.5
212.05009	0.4
229.05292	0.3
230.02544	2.0
285.13260	0.3
325.18442	100.0
326.18875	2.3
829.59619	0.4
967.44006	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	969.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03182	0.3
69.25845	0.6
69.26249	1.2
71.01395	0.8
71.52124	0.3
73.88961	0.3
81.46121	0.3
83.01351	0.4
85.02941	1.5
86.56097	0.3
92.99821	1.4
95.01379	0.8
96.99332	1.1
98.22720	0.6
99.00859	0.5
101.03954	0.4
108.99318	1.0
109.02982	0.3
111.00889	3.2
113.02454	2.9
117.03446	0.3
119.04971	0.3
120.99296	0.5
123.00906	0.6
125.02441	0.3
125.03975	0.5
129.03482	0.4
131.01466	0.6
132.02258	0.4
133.02968	5.9
135.04532	1.0
136.98814	22.0
139.00381	2.7
140.00885	0.4
141.03473	5.4
143.05038	1.1
145.02972	1.0
147.04533	1.3
148.84532	0.3
149.02451	0.7
150.04152	0.4
153.03484	1.0
155.05037	0.9
157.02979	1.9
159.04559	1.3
161.02458	1.0
163.00372	0.8
163.78952	0.3
164.98306	8.1
165.99080	0.8
166.99820	0.8
169.02982	4.2
171.04527	3.0
173.02441	3.0
175.02446	1.3
175.03963	1.0
175.34415	0.4
177.01961	1.4
178.99925	0.5
181.02965	1.3
182.03609	0.5
183.04517	1.5
185.02422	2.2
187.03992	1.2
193.03526	0.5
197.02420	2.4
198.03107	0.3
199.04015	5.9
201.01936	9.1
202.02472	0.7
211.04109	0.8
213.01921	2.3
215.03467	0.7
225.01927	3.9
226.02673	0.6
227.03523	4.7
229.01378	0.7
231.03004	0.6
241.01491	1.2
243.03082	1.6
255.03091	1.0
269.00928	16.9
270.01233	1.0
271.02496	10.7
283.02576	0.6
297.00421	44.2
298.00742	3.3
299.01984	100.0
300.02307	1.2
301.03540	13.1
302.03778	2.2
303.04141	0.5
315.01379	1.1
317.03076	2.0
341.03119	1.9
343.04367	0.5
373.05292	0.5
383.04147	0.9
473.03607	1.5
474.98370	0.7
475.05203	13.0
477.06998	2.0
478.07172	0.7
491.04993	0.4
492.13831	1.0
718.04944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	23.3
71.41277	2.9
72.99308	27.8
73.02960	10.7
85.02958	25.3
89.02470	11.3
95.01415	5.1
101.02467	10.7
103.00382	12.5
113.02467	36.5
118.65272	2.8
122.72768	3.3
131.03534	11.5
133.01459	3.4
136.00433	8.8
136.98843	7.2
151.00359	6.4
159.83662	3.1
163.02632	3.1
163.99998	6.3
164.31291	3.0
164.98315	18.8
171.04620	4.8
175.02505	7.2
187.00459	3.7
193.03539	100.0
203.00096	2.7
213.05612	6.4
240.06541	3.3
255.06628	60.2
268.06143	19.0
269.04541	70.4
271.06058	6.3
280.06158	4.3
311.98019	4.6
331.06042	7.9
403.04294	3.3
416.04108	3.5
506.12317	8.8
522.11835	7.2
523.12274	3.8
524.13556	12.1
560.13379	15.2
562.11511	7.0
626.10425	4.0
672.11542	5.2
730.17291	6.4
732.18958	18.1
758.16388	5.9
776.17468	31.5
792.64392	3.7
794.17004	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	970.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99804	6.2
71.01382	9.8
72.99312	12.7
83.01392	4.5
85.02934	9.7
88.28706	3.1
89.02450	4.1
95.01363	4.3
101.02470	3.3
103.00429	5.0
105.62041	3.2
111.00884	9.8
113.02474	12.5
132.51694	3.6
136.00374	5.9
136.98752	11.5
139.00365	12.8
147.73825	4.1
152.01219	6.6
164.98322	9.4
169.06544	3.7
171.04507	15.1
173.06076	6.4
177.01910	7.7
193.03505	16.7
201.05443	3.6
202.33009	3.2
202.99986	4.1
220.07806	3.6
225.05548	6.8
229.05075	8.7
241.05013	7.5
242.08296	8.3
243.06638	10.6
253.05084	6.0
268.06161	10.3
269.04504	22.7
270.07806	18.2
271.06186	27.6
276.06644	4.7
297.04041	14.0
306.07300	3.5
325.07330	4.9
339.05167	11.3
351.05118	6.6
373.02405	3.8
375.05154	33.7
380.12927	9.6
382.14517	6.0
393.06097	11.1
395.05469	3.8
450.13455	15.9
461.10175	5.8
462.10730	6.2
466.12912	5.2
522.11670	30.6
624.48395	4.2
698.14917	13.5
709.88098	3.9
732.18414	12.0
758.16711	59.7
776.17865	100.0
777.18469	5.0
794.18658	28.4
823.21313	3.5
963.24896	3.5
970.22095	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	970.221
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99824	2.3
69.13958	5.5
69.14349	4.7
71.01391	7.7
72.99315	17.8
73.02975	3.2
80.56715	2.0
85.02958	11.6
89.02461	3.2
95.01392	5.7
101.02485	4.2
103.00373	6.2
105.41673	2.2
109.02969	4.8
110.00127	2.0
111.00898	9.1
113.02469	14.7
124.01491	1.9
135.49966	2.1
136.98773	4.3
139.00377	12.6
157.06575	2.7
164.75398	2.2
164.98302	5.2
169.06645	3.8
171.04556	12.0
173.06064	3.5
175.02756	2.2
177.01920	2.8
181.43523	2.2
193.03551	25.8
201.05789	3.0
208.94569	2.4
220.07687	5.4
225.05640	4.7
229.05049	4.9
241.05051	10.0
241.19447	2.0
242.08212	3.3
243.06697	8.4
248.07083	2.8
253.05023	2.6
255.06757	2.8
264.06769	3.5
268.06070	12.8
269.04541	13.9
270.07755	7.0
271.06134	16.8
276.06677	3.8
279.06641	3.6
288.06647	5.1
297.04230	4.2
299.05563	3.5
301.33911	2.9
308.82440	2.2
338.11865	3.5
339.05078	8.0
349.07138	4.2
351.05078	8.7
375.05139	19.8
380.13116	13.0
382.14600	5.3
393.06253	10.1
424.12399	2.5
450.13486	14.5
461.10178	3.7
462.10944	6.4
463.11832	6.2
504.10992	5.7
506.12207	2.6
522.11902	15.4
698.15747	12.7
698.26477	3.2
732.18787	11.3
758.16638	41.9
776.17816	100.0
777.17889	5.8
794.18781	10.4
970.22034	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	971.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08294	0.4
69.08697	1.4
71.01382	0.4
72.99316	0.4
73.43087	0.2
74.06665	0.3
85.02957	1.4
92.99828	1.1
95.01382	0.6
96.99321	1.1
99.00903	0.3
101.26191	0.2
108.99303	0.4
111.00887	2.8
113.02486	1.4
117.03455	0.3
120.99313	0.4
123.00892	0.3
133.02956	5.8
135.00937	0.3
135.04526	0.7
136.98808	10.1
137.99088	0.3
139.00391	2.0
141.03459	0.7
143.05063	0.6
147.04553	0.3
151.00377	0.3
155.05064	1.1
157.02963	0.6
159.04538	0.7
161.02448	0.8
163.00407	0.4
163.04025	0.3
164.98302	10.0
165.01984	0.4
165.98935	0.5
169.03006	0.4
171.04556	1.3
173.02438	1.0
175.02557	0.4
175.04015	0.8
177.01955	1.0
178.99861	0.5
182.03790	0.3
183.04553	1.4
185.02464	1.3
187.04050	0.7
193.03564	0.9
199.04018	6.0
201.00063	0.5
201.01956	9.6
202.02293	0.3
203.03529	0.4
205.01608	0.3
211.03969	0.8
213.01941	1.0
215.03574	0.4
225.01947	0.3
227.03497	4.8
229.01566	0.5
231.02994	0.9
234.29190	0.3
241.05307	0.3
243.02972	1.6
253.01408	0.3
255.02986	1.0
269.00946	1.1
270.01303	0.5
271.02487	11.8
272.02942	0.7
273.04095	0.3
297.00488	2.4
298.00772	1.8
299.01981	100.0
300.02304	5.4
301.03494	7.3
302.03992	0.8
313.03348	0.6
315.01569	0.3
317.03015	2.5
341.02994	1.9
355.28384	0.3
383.04108	0.7
395.04141	0.4
401.05283	0.3
467.27280	0.3
475.05234	15.1
476.05603	0.6
477.06573	2.2
493.06094	0.3
511.18396	0.3
703.97369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12604	0.3
74.16893	0.3
98.21897	1.2
117.03452	4.1
153.01935	0.6
154.04272	1.5
161.02484	0.3
165.01942	0.8
174.14700	0.3
178.99890	2.2
181.06696	0.4
185.02444	0.4
198.03221	0.6
207.04491	0.5
210.03134	0.5
226.02730	6.5
228.99014	0.3
235.04018	1.3
238.02747	0.8
241.05138	0.4
254.02246	2.9
258.01691	0.8
265.01483	0.4
266.02249	0.6
268.03958	0.4
269.04565	10.5
295.06311	0.5
297.04044	92.1
298.04361	1.5
311.05814	0.3
312.06418	17.8
327.08740	97.4
328.08987	1.8
357.19806	0.3
407.04431	100.0
408.04892	1.4
793.18658	0.4
1003.50574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	6.7
71.41369	0.3
92.99831	4.5
99.00883	41.8
100.86510	0.3
105.90405	0.3
123.00896	47.7
129.44743	0.3
136.98796	0.6
161.02477	0.6
166.34000	0.3
166.99875	0.5
167.05034	1.0
171.04520	2.2
194.99353	86.6
195.04477	1.3
195.99728	0.8
199.04019	0.4
219.59482	0.3
223.03922	0.9
239.03557	0.7
267.03024	6.0
297.00262	0.4
299.05603	100.0
300.06033	2.1
301.03448	1.6
302.03897	0.4
464.10004	0.3
555.08569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.43
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03478	0.8
71.01390	23.2
73.02952	14.1
83.01382	4.3
85.02958	11.3
87.00920	1.3
88.86676	0.7
89.02450	6.3
93.42620	0.7
95.01393	3.1
97.03004	2.6
99.00911	1.6
101.02464	13.7
109.02991	1.0
112.01726	1.1
113.02460	16.3
113.66370	0.7
119.03580	2.4
120.67702	0.7
125.02508	1.2
130.87418	0.7
134.68668	0.7
143.03580	1.1
161.04649	2.7
187.11462	0.9
207.42078	0.7
213.18823	0.6
267.11377	0.8
315.19888	1.2
333.20737	15.4
335.27219	0.8
372.30249	0.6
377.61676	0.7
379.17731	1.2
406.27383	0.8
477.25009	100.0
478.25262	4.0
495.26028	16.8
537.27130	91.8
538.27753	2.3
646.98334	0.7
679.64508	0.8
681.88116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76130	23.0
69.76490	21.0
75.68259	10.2
88.35403	9.2
89.65484	9.3
98.21931	17.9
132.02187	39.5
134.03764	27.9
160.01683	100.0
171.94110	9.2
175.04005	83.3
205.59874	9.6
213.41653	11.0
283.02634	28.0
284.03226	20.2
320.60153	9.0
473.48468	12.7
568.42889	10.8
911.29712	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99827	0.8
69.87275	1.3
71.01385	0.9
72.99308	0.5
83.01399	3.0
85.02964	2.0
92.99870	1.2
95.01393	1.0
96.99310	1.3
99.00896	2.4
110.00101	0.9
111.00890	62.8
112.01237	1.7
113.02453	4.8
117.03477	0.7
121.12115	0.4
123.00911	1.1
129.06329	0.5
129.21855	0.5
133.02942	1.1
134.03810	0.8
135.04527	9.7
136.98808	3.7
139.00389	100.0
140.00688	2.9
141.00847	1.3
141.01961	6.4
144.26927	0.4
145.03008	0.4
147.04573	1.0
153.01950	0.7
159.04539	1.7
161.02490	2.5
164.98314	10.3
165.99020	1.0
166.99867	1.3
171.04524	1.3
173.02415	2.4
175.02501	2.2
175.03880	0.9
183.04457	1.3
187.03990	1.5
193.03519	1.2
199.04056	0.8
200.01236	1.0
201.01955	5.4
201.05643	0.9
211.04047	2.2
213.01872	1.5
213.05589	1.8
214.02663	0.8
215.03539	5.3
227.03522	1.5
228.03900	0.9
239.03546	2.0
255.03061	2.0
256.03369	0.6
257.04535	2.8
273.04138	1.6
283.02533	2.6
299.01984	1.8
300.02328	1.4
301.03555	93.4
302.03848	5.5
303.04761	3.5
304.05194	0.6
315.03467	3.8
319.04663	0.8
331.34891	0.5
341.01468	1.4
343.04388	0.8
407.71158	0.5
477.06790	29.2
478.07156	1.6
479.08163	5.1
480.08527	1.5
481.09052	0.8
495.08044	1.2
683.34436	0.6
916.35938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	0.2
69.29352	1.2
71.01394	1.8
72.99313	0.5
73.02954	0.4
75.00870	0.5
85.02954	3.2
87.00888	0.9
89.02440	0.6
91.43954	0.3
95.01400	1.0
99.00883	1.0
103.00371	0.4
108.31789	0.3
111.00873	0.3
113.02464	4.0
113.76559	0.2
115.00376	0.6
117.01931	0.3
117.03444	1.2
119.05080	0.6
129.02002	0.4
133.02898	0.2
136.78056	0.3
136.98825	0.4
137.02512	0.5
139.00412	0.3
143.05009	0.8
145.02945	1.5
157.06609	0.4
163.00424	0.5
165.01942	0.9
166.99883	0.3
167.05037	0.4
169.06554	0.8
171.04596	1.3
174.60367	0.2
175.02550	1.7
175.03880	0.4
185.06073	1.8
186.58337	0.3
187.03987	3.4
189.05569	0.7
190.99844	0.5
192.00597	0.7
195.04449	0.4
196.05400	0.4
197.06035	0.9
199.04037	0.5
200.89969	0.3
201.05592	0.3
211.04050	0.5
213.05571	5.1
215.03554	1.4
217.05153	0.4
229.05069	2.2
239.03450	1.5
240.04247	0.5
241.05049	2.1
255.03038	0.8
257.04504	1.5
267.02966	1.0
283.02554	1.4
284.03278	2.7
285.04068	100.0
286.04428	2.7
327.76248	0.4
399.07281	0.4
461.07303	74.2
462.07629	2.6
513.06555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95750	0.6
96.96012	0.9
119.05049	0.4
121.25922	0.3
155.98763	0.3
168.70654	0.3
170.00485	0.6
183.01228	18.7
184.02010	1.4
186.54008	0.3
197.02795	9.1
198.03543	1.6
203.36594	0.3
211.04507	0.3
212.05212	0.4
216.01154	0.3
225.05901	0.4
230.02608	0.3
239.07448	0.4
265.14798	1.2
297.15320	100.0
298.15659	0.9
311.16748	0.8
410.51706	0.3
537.67957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	0.3
69.54144	0.4
71.01402	0.1
79.04285	0.1
85.02940	0.3
95.01402	0.6
99.00918	0.1
101.03979	0.5
110.00101	0.8
111.00898	0.3
113.02473	0.3
117.03498	0.2
119.01398	0.3
123.00910	0.3
127.05527	0.3
129.07114	0.1
135.00964	0.1
136.98802	0.3
137.02489	0.1
137.99590	0.2
139.00369	0.5
139.05591	0.3
141.01988	0.1
141.07124	0.6
143.05031	0.2
145.02980	0.3
145.06609	0.3
151.05547	0.2
152.06371	0.2
153.07118	0.3
155.05043	0.7
157.06551	0.1
163.00385	3.2
164.00911	0.1
165.01935	0.5
165.99101	0.6
166.99843	0.3
167.05084	0.3
169.06610	2.6
171.04533	4.2
171.08182	0.2
171.40331	0.1
172.05096	0.1
173.06079	0.9
175.02499	0.2
178.04234	0.1
179.05038	0.2
180.05890	0.2
181.06616	1.0
182.03767	0.2
183.04559	0.7
184.05287	0.8
185.06079	0.4
187.07799	0.1
190.99861	0.1
192.00760	0.1
195.04572	0.7
196.05290	0.5
197.06093	7.4
198.03204	0.6
198.06331	0.2
199.04039	1.2
201.05630	0.5
207.04610	0.2
208.05132	0.1
209.06169	0.2
211.04036	0.4
212.04814	0.3
213.05589	2.1
223.03969	0.8
224.04770	1.1
225.05591	3.3
227.03477	0.2
239.03502	1.2
240.04326	0.9
241.05080	2.6
252.04332	0.1
253.05078	0.2
261.96304	0.1
267.03015	0.9
268.03796	12.3
269.04562	100.0
270.04926	2.3
281.04584	0.3
283.06134	0.7
311.05676	0.1
413.08893	0.3
417.74350	0.1
430.51236	0.1
431.09882	2.3
441.22800	0.1
459.09329	0.1
473.10910	56.6
474.11227	2.1
752.33929	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	977.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62158	3.7
69.62576	2.6
71.01024	2.7
71.01389	27.9
71.30504	1.2
73.02951	29.9
83.01405	4.7
85.02959	4.8
89.02455	30.1
95.01400	3.8
97.02958	1.6
99.00891	80.6
101.02442	15.8
104.35235	1.2
113.02450	19.7
119.03518	2.7
120.38759	1.3
125.02448	4.4
125.71671	1.2
131.03537	8.8
143.03497	4.3
149.04575	36.5
151.00362	1.4
155.03487	1.7
161.03432	1.3
161.04556	7.5
163.00357	3.7
175.02505	3.3
191.05620	33.2
203.05647	12.8
233.06702	8.3
252.65910	1.5
255.03117	1.4
270.08844	1.4
284.03302	39.7
299.05664	20.0
329.13986	4.1
335.09775	1.7
341.13870	1.9
415.16064	5.0
432.19751	1.7
457.17197	100.0
458.17319	1.8
475.08777	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	977.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	22.0
71.40066	4.5
73.02947	7.5
83.01360	3.8
85.02993	15.0
87.00881	8.9
89.02465	8.9
91.01918	11.4
95.01399	5.7
101.02460	17.5
108.02180	13.4
109.02958	4.4
111.00929	3.7
113.02476	25.0
120.08743	2.9
123.04544	38.6
125.02445	8.8
135.04486	3.6
151.00389	3.9
152.01178	16.9
161.04514	4.4
166.02698	4.9
167.03516	100.0
181.05043	6.9
194.02229	4.1
203.05659	3.5
209.04587	24.4
224.98523	3.5
239.05612	6.9
269.06754	8.6
371.09940	7.4
461.16806	16.3
514.07990	7.6
515.01666	7.6
515.08350	7.2
517.02686	4.2
533.15277	6.7
594.20062	4.0
695.20789	7.6
755.22961	4.5
809.25806	9.2
977.30096	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73536	0.3
76.69394	0.3
82.00592	0.5
85.02967	0.3
93.03468	0.5
95.01391	1.2
96.99312	0.6
98.21779	0.4
107.01411	0.5
110.00110	3.5
111.00887	8.2
113.02489	0.3
114.41256	0.3
117.03486	1.0
119.01413	0.2
119.05029	4.2
121.02988	0.6
121.33274	0.3
123.00873	1.4
125.02458	1.0
126.36349	0.3
133.03011	0.5
134.03760	0.4
136.98830	1.6
137.02446	1.2
137.99590	0.7
138.06682	0.3
139.00386	9.8
141.01903	0.3
143.05029	0.7
145.02959	0.4
149.02446	0.9
150.03203	0.8
151.00374	3.4
161.02461	2.3
163.00311	0.5
164.04781	0.6
164.98302	2.6
165.01981	1.6
165.05550	0.8
165.99118	2.8
166.99889	2.7
167.05025	0.7
169.06625	0.8
171.04562	0.7
173.02446	1.9
173.06036	0.6
175.02522	0.4
175.03999	0.3
178.99869	0.8
179.05014	0.3
183.04364	0.3
185.06093	1.2
187.03893	0.3
189.01930	2.0
190.99930	0.8
192.00677	1.2
193.01466	0.3
193.05121	0.4
195.04533	1.0
195.06433	0.4
197.06056	0.7
198.03143	0.4
199.04045	0.8
200.03041	0.3
200.04868	0.3
208.03709	0.4
211.03999	0.6
212.04918	0.4
213.05565	1.2
214.02782	0.6
215.03526	0.5
217.05069	1.1
218.07259	0.3
223.04025	3.1
223.06134	0.9
225.01947	1.4
227.03497	0.4
239.03479	1.4
241.05061	0.9
242.02184	0.5
243.02992	0.6
247.07674	0.9
263.07077	0.4
267.02902	1.4
268.03516	0.3
269.04556	4.5
280.30267	0.3
283.02408	0.8
284.03317	7.9
285.04065	100.0
286.04385	1.8
291.06662	4.0
297.04056	0.7
301.05023	1.1
319.06165	9.6
327.05112	0.3
327.08597	0.7
370.51044	0.3
407.04391	0.7
429.08057	0.7
439.10364	16.7
440.10861	0.4
447.09351	1.7
489.10434	55.2
490.10852	1.1
881.78168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	2.8
74.71171	0.4
83.01403	0.6
89.02458	1.2
93.03475	1.3
95.01398	1.2
97.75993	0.4
101.03981	1.9
107.01421	0.7
110.00115	2.8
111.00885	6.5
113.02534	0.6
117.03482	2.1
119.05035	3.6
121.02939	2.5
122.03767	1.2
123.00902	1.8
125.02438	0.8
133.02954	1.9
134.03764	4.5
135.04555	0.5
136.98796	1.6
137.02443	1.9
137.99641	0.7
139.00392	8.5
143.05055	0.8
145.02968	3.9
149.02463	5.2
149.06053	1.1
150.03230	7.5
151.00403	2.6
161.02458	3.1
163.04005	2.2
164.04796	3.0
164.98294	2.5
165.01926	4.4
165.05624	4.9
165.99084	1.9
166.99849	2.5
169.06654	0.8
171.04561	1.3
173.02460	15.0
173.06029	0.9
175.00511	0.5
178.02710	1.8
179.05122	0.5
179.07135	0.5
180.04303	2.5
185.06107	1.0
189.01950	17.0
192.00720	0.9
193.01424	2.7
193.05124	3.7
195.04724	1.0
195.06659	3.6
197.35847	0.4
198.03288	0.5
199.00453	0.6
199.03987	0.9
199.18642	0.5
201.71188	0.4
203.03677	0.7
207.08153	0.7
208.03738	3.4
211.03947	0.5
213.05608	1.2
214.02631	0.6
217.01479	1.4
219.08246	0.9
223.04039	2.2
223.06161	4.5
225.01906	0.7
225.07687	1.1
226.02705	0.5
235.07681	1.1
239.03583	1.4
242.02225	0.7
245.06052	1.4
246.06984	1.2
247.07635	7.8
252.11522	0.5
263.07129	1.7
267.03058	1.5
269.04602	4.8
277.05014	0.5
283.02536	0.8
284.03308	6.2
285.04071	67.0
286.04370	2.5
291.06662	27.8
292.07175	0.5
297.04007	2.0
301.05164	8.4
319.06146	69.5
320.06552	2.0
327.08685	1.3
349.07291	1.1
371.11600	0.6
407.04242	1.1
419.13068	0.6
429.08188	0.5
439.10388	100.0
440.10800	2.2
445.07629	0.5
447.09341	1.6
489.10440	36.5
490.10751	1.6
559.14771	1.6
621.21936	0.5
783.26953	0.8
979.27991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.9
71.01389	2.3
85.02972	0.5
89.02465	1.0
90.28294	0.3
91.39314	0.3
92.99818	0.4
95.01349	0.3
99.00892	3.7
101.03956	1.7
113.02453	0.4
117.03487	0.6
119.05015	0.5
120.51530	0.3
123.00889	4.6
133.02960	0.8
134.03749	6.3
135.04536	1.2
136.98782	0.3
137.02437	2.0
138.64795	0.3
145.02962	2.8
149.06087	1.1
161.02435	2.1
163.04030	0.5
164.98276	0.4
165.01941	7.1
171.04427	0.4
173.02448	11.7
175.02411	0.3
178.02751	2.2
179.03560	2.0
180.04277	3.0
189.01938	17.1
193.05048	4.4
194.99367	6.0
195.06578	3.0
199.00345	0.9
203.03641	0.3
207.08176	1.0
210.05397	0.8
217.01497	0.5
219.08076	0.8
225.07693	1.7
235.07687	0.7
245.06096	1.2
246.06888	1.5
247.07658	6.4
263.07062	1.2
269.04501	0.9
273.05539	0.4
277.05133	0.6
285.03876	0.4
286.04761	0.5
291.06644	25.2
292.07251	0.6
299.05609	4.3
301.05069	6.3
319.06119	45.6
320.06409	0.9
321.08078	0.3
331.06229	0.5
343.06015	0.3
349.07126	0.7
356.96808	0.3
361.07266	0.4
395.00854	0.3
418.56277	0.4
439.10355	100.0
440.10675	2.6
463.08972	0.4
473.10986	0.6
500.09525	0.5
501.03915	0.4
559.14587	1.7
635.20038	2.3
979.27869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60068	14.3
71.01395	3.8
75.43784	3.7
82.13816	3.3
93.03465	10.9
96.96017	19.9
101.02421	4.5
117.03487	86.9
117.82738	4.4
119.05051	5.0
135.00919	8.0
148.08846	4.2
159.04535	5.7
161.02361	4.3
163.04086	5.0
183.04536	6.5
185.02414	8.7
187.04015	4.6
199.03978	4.3
200.04745	5.5
227.03500	10.5
250.06316	6.5
255.03015	45.6
259.13318	8.1
263.07050	5.7
265.14862	26.7
293.21191	13.5
306.83716	4.3
311.12802	9.0
329.13986	7.9
377.17557	16.7
387.16006	15.4
405.17252	25.5
423.80496	4.3
431.14615	5.5
449.15787	4.3
817.43738	17.6
841.44202	22.6
848.67468	5.2
907.48779	8.5
917.46942	18.8
933.46509	12.2
935.47797	17.8
961.27386	7.9
961.45819	100.0
962.46228	5.3
973.68286	4.8
979.47327	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	3.9
85.02925	3.6
89.02450	4.1
93.03453	7.3
96.96014	12.5
98.22617	7.2
113.11381	3.3
117.03481	64.1
119.05063	3.6
135.00812	3.7
135.04527	3.7
143.04971	3.5
159.04619	4.4
163.04001	3.4
183.04494	7.3
199.03973	3.4
200.04747	3.3
201.05563	6.5
221.06075	3.5
227.03485	11.5
250.06332	5.5
255.03056	41.8
259.13367	4.0
261.05484	3.8
265.14841	18.1
275.06976	4.6
277.14420	4.7
289.08722	3.5
293.21194	9.8
311.12881	6.8
329.14304	4.5
333.03067	3.2
361.17877	4.5
377.17490	13.8
380.11929	3.3
387.16010	12.6
403.15625	3.9
405.17102	19.7
421.16391	3.4
423.18134	4.1
449.09375	3.3
449.15939	4.6
506.23822	3.4
817.43713	12.2
841.43909	18.1
907.48474	12.9
917.46771	13.3
933.46320	10.4
935.47955	16.9
944.36932	4.1
961.45972	100.0
979.47021	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.7
69.19907	2.2
71.01395	1.3
72.99316	1.5
73.02958	0.4
81.03484	0.3
83.01406	1.0
85.02953	1.1
87.00890	1.1
95.01415	1.6
97.02955	2.1
99.00892	3.3
101.02451	0.7
108.02199	0.7
108.95519	0.4
109.02952	0.9
110.00112	2.8
111.00894	12.7
113.02448	1.6
117.03496	1.1
121.02956	1.5
123.00906	3.5
124.01688	0.6
125.02436	1.4
126.03274	0.4
126.98522	0.3
133.01448	0.5
133.03017	0.6
134.03773	1.8
135.04535	1.5
136.98788	0.7
137.02379	1.0
137.99622	0.6
139.00391	16.7
139.03949	0.4
140.01180	8.4
141.01959	17.0
142.02258	0.4
142.75502	0.4
145.02966	0.4
149.02338	0.5
151.00212	1.1
152.01144	1.6
153.01981	3.5
154.99635	1.3
155.98405	0.4
159.03038	0.6
159.04474	0.4
160.98570	1.1
161.02455	10.6
163.02655	0.5
163.04019	2.0
164.98268	2.2
165.99121	2.8
166.99834	1.6
168.00665	1.2
170.73094	0.5
172.07439	0.4
173.02347	0.5
175.00189	0.7
177.01930	0.4
178.99838	0.6
181.01436	0.4
183.03065	0.5
187.00240	0.4
187.03941	0.6
193.01300	1.2
193.03445	0.8
194.99052	0.4
199.03886	0.4
202.99623	0.6
214.99614	0.4
215.03528	0.6
216.04289	0.6
219.96266	0.8
227.03360	0.7
239.03409	0.8
241.05119	0.9
253.05066	0.4
255.03102	0.5
257.04678	0.6
267.03073	0.9
269.03027	0.4
274.75217	0.4
281.04211	0.7
283.02435	0.9
284.03534	0.5
285.04208	1.8
293.02676	0.5
297.02121	2.1
300.02814	0.5
301.03476	0.6
302.04297	2.8
303.05096	3.6
307.02325	2.0
309.02289	0.6
315.05252	1.1
321.02231	2.7
324.02542	4.0
325.03311	6.0
337.01773	0.7
339.03299	5.0
343.03091	3.0
365.01303	0.7
370.43872	0.5
479.08328	1.7
483.05450	1.9
501.06561	100.0
502.06750	2.8
557.06097	1.4
558.06805	0.7
671.27289	0.5
805.11121	1.2
832.27673	0.5
944.66644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	0.6
69.24194	1.9
69.24603	1.0
70.19788	0.4
81.52058	0.5
84.36300	0.5
98.21904	1.2
109.02971	1.2
110.00115	2.8
110.36673	0.5
111.00883	1.2
117.03471	1.4
133.02977	2.5
134.91273	0.5
135.04541	2.1
136.98836	2.9
139.00356	1.0
147.93823	0.5
149.63530	0.5
163.00296	0.7
164.01173	0.6
164.98323	1.2
165.01956	0.6
165.99063	3.0
166.99832	0.6
172.05328	0.5
174.03239	0.6
175.03995	0.8
187.04005	0.9
188.04825	0.8
190.99792	0.8
199.04041	1.2
200.04774	0.7
201.02036	1.2
201.05554	1.0
211.03998	0.9
215.03499	1.3
216.04327	0.9
227.03506	2.6
228.04144	0.8
243.02942	1.2
244.03716	0.5
249.46193	0.5
255.03033	3.7
257.04575	0.6
269.04636	2.9
271.02444	2.9
272.03284	0.9
283.02603	1.6
297.04111	3.2
299.01944	4.2
300.02771	48.2
301.03552	60.8
302.03937	1.6
326.44440	0.5
352.26831	0.5
355.11929	4.4
431.09784	2.1
445.07816	3.4
463.08865	36.1
464.09332	0.9
495.98166	0.6
498.79114	0.5
505.09943	100.0
506.10129	4.0
786.05786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
81.50710	0.6
110.00106	3.1
111.00922	0.6
133.02979	2.7
135.04482	3.0
136.01714	0.6
136.98836	4.1
137.02463	0.8
137.99640	0.8
139.00433	1.2
158.03795	0.7
161.02554	0.9
164.01201	0.7
164.98303	1.2
165.99126	3.7
174.03291	0.8
175.04095	0.8
183.04552	0.9
188.04819	1.3
199.04128	1.8
200.04837	1.1
201.01982	1.6
201.05621	1.3
202.02769	0.8
211.04070	1.4
215.03560	0.9
216.04242	0.9
226.02617	1.0
227.03514	2.2
228.04343	1.6
237.02005	0.7
243.03085	2.3
255.02995	4.5
269.04538	4.6
271.02567	3.1
271.71970	0.6
272.03271	1.1
283.02606	2.0
284.02856	0.7
294.85446	0.7
297.04013	4.5
299.02005	6.0
299.05222	0.8
300.02783	65.1
301.03568	77.4
302.03949	2.0
313.03726	0.9
355.12152	1.1
431.09808	2.4
445.07837	3.6
463.08884	40.7
493.05496	0.6
505.09924	100.0
506.10080	2.3
572.47333	0.7
641.12469	0.7
713.86847	0.6
742.04742	0.6
863.75482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.8
70.02048	0.6
70.02375	0.7
71.01383	3.2
72.71423	0.3
72.99314	1.0
73.02954	0.7
75.00875	1.4
83.01382	1.6
85.02962	7.9
87.00889	1.1
88.07252	0.4
89.02435	0.9
93.03487	1.7
95.01394	6.0
98.22008	0.5
99.00896	3.2
101.02462	0.3
102.78133	0.3
103.00394	1.9
109.02950	1.3
111.00887	3.6
113.02462	17.5
115.00361	0.8
117.01934	0.6
119.05037	21.6
123.00888	3.5
124.01675	1.2
129.01915	0.5
136.01688	0.7
136.98814	3.4
137.02473	1.6
139.00389	15.9
141.01981	1.6
145.02946	0.9
149.34201	0.3
152.01144	0.7
153.01950	27.2
164.98358	1.0
165.01921	0.4
166.99873	21.5
173.06146	0.8
175.02501	14.6
178.22514	0.3
181.01445	14.0
187.04050	0.5
189.05612	0.8
193.01436	2.9
193.03539	2.0
197.06015	0.5
201.05553	1.2
213.05464	0.3
215.07072	0.6
225.05499	1.0
241.05161	1.2
243.06633	1.1
259.06094	3.0
269.04572	5.2
283.02554	0.5
285.04062	1.3
286.04565	0.5
287.05627	100.0
288.05972	2.2
312.98105	0.4
317.05176	0.7
340.97552	1.0
358.98654	1.2
385.00363	0.5
400.99469	0.4
413.00003	0.7
463.08862	68.4
464.09003	2.1
517.00696	1.9
615.02301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70031	0.3
69.81052	1.1
71.01389	4.4
71.94447	0.3
73.02935	0.4
78.24496	0.3
81.03465	3.7
82.03008	0.5
85.02956	5.7
89.02448	2.0
95.01390	1.8
96.63931	0.3
98.21877	0.3
101.02442	0.8
105.03426	0.7
107.05021	0.3
113.02460	11.2
117.03484	1.0
121.06617	1.0
122.06134	0.8
123.04529	1.1
124.04059	1.2
129.29207	0.3
130.04231	0.3
132.02209	1.7
133.02968	31.6
134.03766	0.8
135.04533	13.5
145.06607	6.0
153.05598	1.0
161.02457	93.9
162.02794	1.3
169.06581	0.3
172.05345	0.5
177.05551	0.4
179.02112	0.4
179.03462	2.0
187.07660	1.7
211.07593	0.7
267.06622	0.4
270.11374	1.5
285.40359	0.4
297.09631	0.6
314.10376	15.8
315.10818	0.9
340.08017	0.5
340.56827	0.3
358.09329	1.1
416.26532	0.3
461.16672	3.5
473.34579	0.4
623.19836	100.0
624.20203	2.7
648.98145	0.3
699.84576	0.3
749.47992	0.4
793.08508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	1.1
69.81338	1.0
69.81700	0.8
71.01387	12.0
72.99313	1.8
73.02955	0.7
75.00883	6.6
82.00610	1.7
83.01382	0.9
84.02177	0.7
85.02956	30.3
87.00880	3.4
89.02457	1.9
93.03462	1.7
95.01397	9.9
95.32563	0.5
96.99338	0.9
98.21980	0.7
99.00886	10.0
103.00381	6.0
110.00104	10.6
111.00899	1.7
113.02460	78.1
115.00388	1.6
117.01966	2.8
119.05043	6.8
119.42258	0.4
120.99275	0.5
123.00900	0.8
124.01686	2.2
129.01938	2.1
133.02974	8.7
136.98808	6.0
137.02457	1.2
137.99629	3.5
139.00398	3.9
140.01146	0.7
145.02942	0.7
151.00438	0.6
152.01161	3.1
157.01466	1.4
163.00417	0.6
164.98302	17.0
165.97670	0.5
165.99084	19.0
166.99881	7.6
175.02492	53.8
178.99834	0.8
180.00682	9.2
181.01445	9.4
183.04556	1.3
185.02455	1.5
192.00722	1.1
195.03040	1.5
199.04175	0.5
201.01944	0.7
205.01488	0.5
211.03996	0.7
227.03499	2.3
229.05045	0.7
230.05943	1.0
230.99376	1.7
246.01755	1.4
255.03018	1.9
258.05450	0.6
261.04080	2.1
270.05338	0.5
271.02505	6.8
283.02393	2.7
285.04034	1.4
286.02454	0.5
286.04840	32.1
299.01990	57.7
300.02567	1.1
301.03687	3.4
301.07162	58.2
302.07300	0.5
313.03555	2.0
314.04337	34.3
315.04855	1.0
329.06680	100.0
330.07150	1.4
371.07736	0.8
477.10483	21.3
505.09970	29.9
779.10944	0.6
867.42792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41941	1.0
72.03864	0.7
73.89416	0.8
81.03450	4.7
83.01397	13.7
93.03459	1.5
107.01391	7.0
117.03484	9.9
119.05038	3.2
121.02915	0.8
123.04540	27.6
125.01533	1.2
125.02462	27.9
148.05328	7.3
151.00398	22.7
163.07668	5.4
167.03516	99.9
168.03838	1.2
177.01994	3.0
183.04518	1.0
185.02548	1.7
185.06021	1.6
201.05602	1.3
211.04031	1.5
213.02043	1.7
213.05574	1.3
214.02692	1.3
227.03537	4.4
229.05197	1.3
239.03635	1.2
242.02234	4.6
243.02953	2.3
253.01346	1.6
253.05048	1.3
255.02930	5.3
256.03860	1.6
257.04575	23.3
258.04956	0.9
268.20190	0.9
279.02975	1.0
281.04770	1.0
283.02475	2.2
303.06796	1.0
325.03787	1.1
329.08435	1.1
345.82089	0.9
355.06088	1.1
357.07794	1.9
359.05655	1.1
373.06876	1.6
375.04974	1.4
384.06494	1.5
393.06140	3.8
401.06680	100.0
402.06891	3.8
403.04620	44.9
405.06088	0.9
417.05731	1.1
419.07852	9.8
433.19482	0.8
445.05649	22.7
461.65146	0.9
472.47501	1.0
487.34253	3.4
553.08148	1.5
571.08856	73.2
572.09167	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	983.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13102	0.8
69.13514	0.7
71.01389	1.9
72.99298	0.4
73.02936	0.3
75.00877	0.8
79.26495	0.2
83.01424	0.2
84.06161	0.2
85.02958	4.9
87.00888	0.8
89.02438	0.3
94.77756	0.2
95.01389	1.7
99.00893	1.9
103.00376	0.6
107.01412	0.3
109.02950	0.2
111.00880	0.3
113.02466	10.1
115.00386	0.4
117.01952	0.4
117.03477	0.6
117.24552	0.2
119.05063	1.9
120.69737	0.2
123.00938	0.3
129.01929	0.4
133.02974	1.1
136.98811	1.5
137.02441	0.3
139.00372	1.3
145.03014	0.3
149.02454	0.4
151.00383	0.7
153.01970	0.4
157.01443	0.3
157.06512	0.2
159.04570	0.3
164.98302	1.4
165.01967	0.4
165.99184	0.2
166.99911	0.6
167.05014	0.4
169.06647	0.3
171.04553	0.5
173.06110	0.2
175.02509	5.7
175.03918	0.4
181.23665	0.2
183.04478	0.5
185.06064	1.6
195.04520	0.4
199.04028	0.7
203.19307	0.2
211.04039	1.4
213.05583	1.9
223.04193	0.2
229.05031	0.3
239.03529	2.4
241.05060	0.8
255.03122	0.2
257.04510	0.4
267.03000	1.5
268.03726	0.2
283.02423	0.6
284.03198	0.5
285.04068	100.0
286.04492	1.3
287.05643	1.5
288.05872	0.3
327.05093	0.7
444.09164	0.2
461.07300	24.9
462.07388	0.5
463.08783	0.5
807.97137	0.3
872.70679	0.3
931.99554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	1.1
69.19445	3.7
71.01389	3.8
72.99302	1.4
73.02955	1.3
75.00881	1.8
81.03470	1.1
83.01406	3.7
85.02962	7.2
87.00875	1.1
93.03471	2.5
95.01392	5.6
99.00887	2.7
103.00355	2.0
107.01401	1.8
109.02955	2.2
111.00909	5.3
113.02459	18.9
115.00394	0.8
117.01939	0.9
117.03479	14.3
119.05038	27.8
120.05322	0.7
121.02972	1.3
123.00911	2.5
124.01697	1.7
125.02457	0.9
135.04533	2.2
136.01689	0.8
136.98792	4.1
137.02473	2.0
138.19759	0.7
139.00395	15.9
141.01968	1.7
143.05092	0.8
145.02953	1.6
147.04579	0.9
148.01680	1.4
149.02451	8.2
151.00389	6.8
153.01953	25.1
156.98430	0.6
159.04465	0.8
161.02472	5.6
163.04024	11.2
164.98338	1.9
165.01945	1.7
166.99876	24.3
173.02394	1.0
173.06071	0.6
175.02521	12.7
175.03957	1.5
176.74258	0.8
177.01917	1.2
181.01442	13.9
185.06168	0.8
187.03990	1.1
189.01888	1.3
189.05594	1.5
191.03517	20.3
191.19070	0.6
193.01570	2.9
193.03540	2.5
201.05635	1.5
203.03584	3.4
203.68263	0.6
205.05028	1.1
213.05458	0.7
215.07104	0.9
217.01433	0.8
221.04576	8.4
233.04494	6.6
241.05130	1.4
243.06516	1.1
245.04590	1.2
259.02515	2.3
259.05994	3.9
263.05600	2.7
269.04544	6.0
271.06107	8.7
285.04059	10.1
286.04492	3.1
287.05640	100.0
288.05917	2.7
289.03360	0.8
302.39566	0.6
311.07993	3.0
317.05164	0.8
341.08783	1.2
353.06699	8.8
383.07687	1.9
413.08752	0.9
461.07275	1.8
463.08878	47.6
464.09351	1.5
473.10886	8.2
475.12485	6.5
503.12231	1.2
517.00562	0.9
537.17725	0.9
561.29138	0.9
593.15533	1.5
701.20868	1.8
725.21069	0.7
731.22784	0.8
821.25555	0.9
863.24115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.3
71.01388	5.4
72.99330	1.9
73.02959	1.0
75.00887	2.6
83.01415	1.8
85.02954	12.4
87.00877	1.3
89.02473	0.8
93.03490	1.8
95.01398	6.6
96.99336	0.7
99.00893	4.5
103.00401	2.3
109.02940	1.2
111.00877	3.7
113.02461	23.5
114.02801	1.6
115.00404	1.1
117.01958	1.1
119.05040	23.5
123.00883	3.3
124.01666	1.4
129.01965	1.5
136.98843	4.9
137.02435	1.7
139.00380	15.0
141.01987	2.1
145.02950	1.3
151.00388	0.8
153.01956	25.8
157.01385	0.8
164.98274	1.6
166.99884	22.5
173.06073	0.9
175.02480	16.4
176.02866	1.1
181.01447	12.2
181.02870	1.2
185.06169	0.8
186.06403	0.9
189.05563	1.0
193.01479	2.8
193.03531	2.4
193.24594	0.7
194.04083	0.6
201.05609	0.9
211.04080	1.4
213.05466	0.6
217.05154	0.7
239.03549	1.2
240.03810	0.8
243.06740	1.3
259.06027	3.1
269.04572	5.3
269.94955	0.6
285.04074	55.3
286.04425	27.4
286.07632	1.2
287.05643	100.0
288.06027	2.5
461.07327	8.1
462.07819	5.8
463.08820	52.7
464.09192	1.8
505.21146	0.7
632.93518	0.7
759.32452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99822	8.3
69.03738	1.6
69.04166	0.6
83.14182	0.3
92.17833	0.3
92.99833	4.9
99.00890	43.7
123.00900	48.9
125.94241	0.3
127.05548	0.5
134.03767	0.4
160.01669	0.9
165.33676	0.3
166.71616	0.3
166.99875	0.6
167.05063	0.9
171.04561	2.1
175.03967	0.5
194.99365	85.3
195.04269	1.7
195.99683	1.1
223.03984	0.9
239.03654	1.3
267.02991	5.5
285.04050	1.2
299.05627	100.0
300.05975	2.2
411.83997	0.3
413.28296	0.3
457.34094	0.3
525.24194	0.5
783.27429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20164	3.0
69.20567	1.2
71.01391	7.3
73.02956	1.9
73.55683	0.8
77.52824	0.6
83.01390	1.1
85.02963	1.7
87.00887	1.5
88.75305	0.7
89.02458	5.8
97.02957	1.5
101.02447	5.9
103.43451	0.6
113.02455	3.1
119.03543	2.4
121.10342	0.6
123.08152	0.6
125.02466	2.8
125.09747	1.0
127.11301	2.9
129.09235	1.5
139.11302	4.2
143.03491	1.6
151.11267	0.9
153.09045	0.7
155.10802	2.0
161.04575	1.4
167.10907	0.8
171.10289	26.0
179.05626	1.5
181.12379	0.9
183.10287	2.4
185.11862	5.3
197.11829	1.6
199.13416	1.1
201.11377	5.5
211.13481	3.4
212.39983	0.7
235.08150	3.2
240.43015	0.6
275.20190	1.8
277.21762	19.7
287.07806	1.0
293.21246	7.2
305.08835	1.6
309.15253	3.3
310.15479	3.1
311.22318	100.0
312.22644	2.4
319.13766	4.6
397.13541	37.1
415.14642	13.6
610.80829	0.7
675.36768	1.7
747.66718	0.8
769.34229	0.7
987.69659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15386	1.6
71.01373	0.3
75.60902	0.2
80.96530	1.4
83.01399	2.6
85.03012	0.3
95.01396	0.5
98.02477	0.4
101.04966	0.3
107.01405	9.4
113.02453	0.5
121.02998	0.4
125.02451	0.5
133.02975	1.8
135.04527	0.6
141.03304	0.3
149.02412	0.4
151.00389	29.1
151.65196	0.3
152.00798	0.4
161.02478	2.9
163.00327	0.3
164.61700	0.2
166.36221	0.3
169.01451	0.3
169.06584	0.3
171.04561	0.3
173.02467	0.3
173.06050	0.5
175.03972	1.8
177.01921	1.0
197.06151	0.5
198.03249	0.6
199.04025	2.2
201.01949	0.9
211.03955	0.4
213.05652	0.4
215.03502	0.3
217.05067	0.9
223.04010	0.5
241.05055	1.1
243.02969	0.3
254.86185	0.3
257.04507	0.6
267.03079	0.7
269.04376	0.3
277.14395	0.3
283.02542	11.2
284.03421	0.4
285.04080	100.0
286.04422	1.5
360.28613	0.3
363.07224	0.5
364.07492	0.3
364.99741	77.0
366.00079	1.2
623.19824	3.1
624.20380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	0.6
72.93754	0.1
73.98957	0.1
84.99272	0.1
87.17986	0.1
89.02429	0.5
99.00895	0.1
101.02441	0.4
112.02417	0.1
113.02424	0.3
115.77245	0.1
117.03449	5.1
117.04266	0.3
119.03485	0.4
119.05040	0.2
123.00876	0.3
137.02463	0.2
151.00354	0.5
153.01933	0.6
154.04257	1.9
161.02417	0.6
161.13374	0.2
165.01924	0.6
169.02989	0.2
173.02498	0.2
178.99866	2.9
179.05624	0.3
181.06627	0.3
182.03745	0.3
185.02480	0.4
186.57846	0.1
194.03683	0.2
197.06001	0.3
198.03174	1.2
205.12325	0.8
207.04515	0.4
210.03325	0.2
223.04031	0.4
225.05638	0.3
226.02734	8.2
228.83243	0.1
235.04044	0.9
237.02039	0.2
238.02687	1.4
241.05194	0.2
249.11345	0.8
253.05133	0.3
254.02191	4.2
254.04787	0.3
258.01672	1.0
265.01331	0.4
266.02286	1.0
267.02982	0.2
268.03806	0.3
269.04562	11.7
279.03070	0.2
280.03751	0.2
281.04608	0.2
282.01706	0.2
283.06186	0.4
295.06094	0.3
297.04041	98.1
298.04395	1.5
311.05621	0.4
312.06412	18.0
313.06506	0.2
319.06161	1.0
327.08740	99.0
328.09052	1.3
374.97610	0.1
385.18460	0.2
407.04428	100.0
408.04669	1.6
422.86261	0.2
429.17661	0.6
445.07895	0.6
869.29114	0.5
899.31702	0.2
989.33258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	10.0
73.02954	2.1
73.58638	0.3
80.01663	0.3
83.01389	1.3
85.02961	4.5
87.00883	0.6
87.99464	0.3
88.13642	0.3
89.02452	5.1
95.01382	1.0
97.02947	1.2
98.22644	1.1
99.00905	0.7
101.02455	7.3
113.02472	4.3
119.03500	1.9
124.01669	2.5
153.09216	0.4
161.04596	0.6
168.06380	0.3
247.20650	1.2
277.21780	0.8
285.04025	3.4
287.16687	0.4
295.15552	0.4
303.19684	12.0
304.20172	0.4
305.21164	1.4
321.20724	3.4
461.07257	1.0
465.24738	1.9
483.26028	9.2
509.24020	2.2
527.25024	100.0
528.25250	3.6
678.23608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20794	5.2
70.10828	1.2
71.01392	8.6
73.02931	2.7
77.70049	1.0
82.27197	1.0
83.01393	1.5
85.02960	4.4
89.02467	4.2
95.01404	1.6
98.21805	2.0
98.59477	1.1
100.26909	1.1
101.02448	6.4
113.02430	5.2
114.08984	1.0
119.03524	1.4
119.05061	5.2
124.21418	1.0
157.11499	1.1
163.04018	1.2
173.96144	1.1
208.53392	1.0
242.07133	1.1
276.28717	1.1
284.03171	2.7
285.04099	16.0
299.05701	2.0
303.19727	7.8
305.21231	1.5
321.20532	3.7
461.07117	8.0
465.25046	1.9
475.12311	4.1
483.26245	7.9
509.23395	2.5
527.25024	100.0
528.25470	2.0
645.22552	1.4
696.56940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08159	9.0
82.69505	3.5
167.30655	3.5
170.25409	3.7
178.69775	4.0
189.23923	3.3
190.02693	4.1
214.43646	3.3
255.03139	4.2
283.02350	3.8
284.03259	8.4
298.04855	7.3
306.24170	3.4
309.04114	18.4
324.06339	5.5
366.59778	3.8
450.47797	3.5
477.15622	24.7
486.22235	3.7
495.16702	9.3
537.26819	4.0
586.15973	4.5
647.56232	3.8
699.09070	3.6
731.25146	4.7
780.67731	4.0
991.47241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
75.92021	3.7
96.35987	3.4
119.05071	3.6
123.42641	3.4
125.17773	3.8
135.76978	3.5
166.05307	3.9
196.33159	3.6
199.49748	3.9
244.90390	3.9
268.37769	3.6
283.02505	11.4
284.03253	15.0
285.72003	3.4
298.04822	7.9
309.03992	16.9
324.06503	10.1
352.06201	9.1
445.11514	3.8
477.15527	19.8
763.72504	4.1
811.95325	6.0
991.46936	100.0
992.47290	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	993.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	0.3
71.01395	1.8
73.02958	0.4
75.00880	0.5
80.67336	0.3
81.81091	0.3
83.01353	0.3
83.86701	0.3
84.26150	0.3
85.02963	3.1
87.00883	0.7
89.73492	0.3
95.01393	1.8
98.21853	0.6
99.00885	1.2
101.02423	0.3
103.00378	0.5
110.00080	1.0
111.00951	0.3
113.01739	0.3
113.02467	5.5
117.01960	0.3
117.03460	0.3
136.98799	1.1
137.99532	0.4
139.00362	0.3
143.05089	0.4
153.07097	0.4
155.05000	0.5
164.98300	1.8
165.99089	0.7
166.99905	0.5
167.03494	0.3
169.06621	2.7
171.04529	3.8
171.08241	0.4
173.05978	0.5
175.02541	2.4
181.06630	0.8
183.04536	0.7
185.06078	0.4
195.04456	0.7
197.06105	5.9
199.03995	1.0
209.04520	0.4
212.04832	0.4
213.05608	1.7
223.03998	0.7
224.04874	0.6
225.05545	3.5
227.03357	0.4
239.03485	0.8
241.05086	2.3
257.21906	0.3
265.10730	0.4
267.02966	0.8
268.03802	0.8
269.04562	100.0
270.04910	1.3
271.06061	0.7
283.02457	0.9
284.03311	5.9
297.04080	1.8
299.05637	6.6
307.11926	2.1
312.06372	0.5
327.08789	1.4
337.12885	1.1
341.06696	1.4
376.39429	0.4
386.31714	0.3
407.04471	0.9
427.16037	1.1
445.07776	24.9
446.07999	0.6
457.16766	0.4
503.12042	7.4
547.20453	1.6
634.62683	0.3
692.81604	0.3
756.57086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	0.3
69.14406	1.2
82.00596	1.2
83.59982	0.2
84.02186	0.2
85.02961	1.6
95.01404	0.7
98.21896	0.5
99.00908	0.8
103.52466	0.2
110.00105	13.7
113.02455	2.5
117.03474	2.6
119.05040	2.7
123.00902	0.5
125.02448	0.7
135.04535	0.5
136.98819	1.6
137.99599	7.1
139.00398	0.5
139.05518	0.3
140.01192	0.5
141.07068	0.3
143.04974	0.2
146.03745	0.3
151.00400	0.3
152.01175	0.3
153.01968	2.4
156.05972	0.3
161.02460	4.4
163.00424	0.5
164.01167	0.8
164.98315	1.7
165.99084	15.4
166.99898	0.4
167.05017	0.6
169.06598	0.8
171.04515	0.7
175.02475	1.4
181.01469	1.2
183.04561	0.7
185.02452	0.4
185.06137	0.3
187.04070	1.0
188.04799	0.3
190.99925	0.5
195.04558	1.1
196.05293	0.5
197.06102	0.9
199.04083	0.3
200.04774	1.3
206.02174	0.3
211.04022	1.4
212.04768	2.6
213.02008	0.2
213.05638	0.4
214.02773	1.7
223.03989	1.2
225.05644	0.5
227.03500	1.1
228.04288	0.6
239.03537	1.0
240.04286	1.5
241.05165	1.2
242.02269	0.4
251.03487	0.8
255.02965	1.2
255.06552	0.2
256.03751	0.6
257.04556	0.4
258.52185	0.2
266.02380	0.3
267.02988	1.8
268.03400	0.6
269.04568	24.5
278.08490	0.2
283.02505	4.2
284.03284	59.4
285.03894	1.4
297.04004	0.3
298.04822	1.4
299.05618	100.0
300.05972	1.7
443.09854	0.4
445.07654	1.9
461.10791	0.9
503.12006	60.0
504.12466	1.6
535.40125	0.2
829.51740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.8
71.01385	54.4
71.41251	0.6
71.45905	0.6
72.99284	1.9
73.02950	50.0
75.00835	0.7
83.00953	1.0
83.01389	13.8
85.02955	20.2
87.00877	4.3
89.02450	27.2
95.01398	8.2
97.02941	1.1
99.00854	2.1
101.02446	46.8
111.00934	0.6
112.77127	0.6
113.02457	49.5
116.46499	0.6
119.03613	11.3
119.05032	65.0
125.02434	1.5
131.03502	6.6
134.03723	1.9
137.06120	4.0
143.03516	5.3
149.04568	8.2
149.05957	1.1
155.03500	1.5
161.04561	13.5
179.05659	1.2
185.51213	0.6
191.05637	1.6
192.65765	0.7
203.05589	1.5
221.06572	2.8
281.10309	77.4
282.10638	0.9
299.02078	1.3
299.11353	18.2
335.05743	0.6
341.12427	100.0
342.12805	1.4
475.18231	2.0
506.63535	0.6
549.17596	0.7
607.22461	60.0
609.11987	0.6
629.18860	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	994.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99789	0.4
70.02955	0.4
71.01392	1.2
72.04527	0.5
81.03466	1.0
82.00612	0.3
82.02996	4.1
85.02953	1.3
89.02409	0.3
92.99831	0.8
93.03458	0.5
94.02961	0.6
95.01420	2.2
95.01919	0.4
96.99329	0.5
97.02980	0.4
98.02474	3.2
99.00895	6.7
100.04064	1.7
105.03478	0.8
107.05002	0.4
108.02201	0.4
109.02949	1.2
110.00097	4.3
110.02487	0.6
111.00891	2.1
111.04536	0.8
111.80892	0.3
113.02454	2.7
116.03567	0.7
117.03452	0.6
120.99326	0.4
121.02986	0.6
121.42628	0.3
123.00890	1.6
123.04524	1.5
124.01692	1.6
125.02429	0.4
126.01997	1.7
131.05019	0.6
132.02242	0.5
133.02965	9.2
135.00865	1.1
135.04549	3.2
136.01599	0.4
136.04045	0.5
136.98804	2.8
137.02464	1.4
137.99617	1.2
138.01982	1.4
139.00360	1.4
141.01929	0.4
144.03043	1.4
145.06618	0.6
147.04549	0.9
149.02449	1.3
149.06068	1.0
149.84689	0.4
150.03273	0.7
151.04100	0.6
152.01216	1.9
153.05638	0.5
154.01511	0.4
156.05797	0.4
157.06607	1.5
159.00929	0.5
161.02463	24.5
163.00383	0.4
164.98315	6.4
165.99100	3.9
166.99857	0.9
167.64345	0.3
171.04529	0.6
173.06110	2.3
175.04036	1.4
176.03619	0.7
177.01941	5.0
178.05103	0.6
179.03470	1.2
180.03046	0.6
181.06639	0.7
183.08255	0.4
185.06093	1.0
187.07651	0.6
190.02847	0.3
195.08217	0.6
197.06133	0.6
199.07639	0.7
202.99815	1.7
204.02943	0.5
205.01494	0.3
209.05968	0.5
209.09700	0.4
211.07626	0.7
213.05598	0.9
213.09087	0.3
220.02502	0.4
220.06145	0.5
225.05624	2.9
227.03506	0.5
227.07135	2.4
237.09233	2.1
239.07164	1.5
241.05128	2.0
242.11807	0.3
243.06618	10.4
244.51057	0.3
248.02042	1.2
248.97668	0.3
249.64513	0.4
253.05038	1.8
253.08711	1.0
255.10347	0.5
263.07129	0.8
264.05042	2.1
265.05084	0.7
269.04559	19.5
270.05289	5.4
270.07794	0.5
271.06125	18.1
281.08203	9.1
306.07669	0.9
307.06122	8.7
308.09302	1.1
308.12622	0.4
315.10803	0.4
324.08810	1.1
325.06946	0.4
328.08469	0.8
352.08340	2.9
368.07468	0.4
369.11215	0.4
370.09317	100.0
371.09601	1.6
434.54095	0.4
461.16745	1.1
623.19843	24.5
624.19934	0.7
673.96356	0.4
1022.52020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
77.10586	0.2
77.42184	0.3
83.01370	0.5
83.38392	0.3
83.58594	0.3
84.44607	0.2
85.02945	0.5
107.01392	2.4
109.02963	1.6
113.02455	0.4
119.05031	1.1
121.02992	2.6
133.02974	7.6
136.98810	0.5
147.04625	0.3
149.02454	3.5
151.00383	3.8
157.06606	0.5
161.05957	0.3
164.98303	1.1
171.04477	0.4
175.04022	2.7
177.01910	0.6
177.32707	0.3
185.06113	0.7
187.04025	0.4
189.05420	0.3
197.06120	0.6
198.03221	0.6
199.04034	3.3
201.01945	0.6
211.04071	0.6
212.04726	0.6
213.05626	0.9
215.03542	0.5
217.05072	1.0
226.02692	0.5
227.03479	0.3
240.04352	0.4
241.05072	1.5
243.02962	0.9
247.56493	0.3
255.02925	1.4
256.03677	0.9
257.04520	0.5
267.02960	0.3
269.04407	0.5
283.02563	0.6
284.03198	1.3
285.04068	100.0
286.04425	1.9
287.05511	0.7
297.03970	0.4
327.05103	2.3
335.05560	0.5
429.08359	0.7
447.09351	1.9
455.09903	0.9
461.07297	8.5
469.24255	0.3
487.08875	0.4
488.09210	0.4
489.10443	65.8
490.10892	1.3
533.09326	1.6
575.14502	0.8
839.76288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35629	1.3
83.01365	0.3
85.03003	0.3
93.03444	1.1
107.01407	2.7
107.02625	0.2
108.67931	0.2
110.51858	0.3
117.03474	6.3
121.02973	1.0
149.02438	2.6
151.00414	2.8
157.06572	0.4
159.04535	2.1
161.02460	2.2
169.06595	0.9
181.06602	1.6
182.03743	0.4
183.04515	2.9
183.80922	0.2
196.05251	1.5
197.06030	1.6
197.93875	0.3
198.03488	0.3
199.04012	0.6
201.05594	2.0
210.03210	0.4
213.05553	0.4
224.04727	0.8
225.05608	4.2
227.03477	0.8
237.05521	0.3
240.04265	0.9
241.05052	0.3
253.05043	0.6
265.05148	0.4
268.03809	0.8
269.04562	100.0
270.04904	1.9
281.04538	0.3
283.06085	0.7
293.04639	0.3
311.05524	2.0
413.08432	0.3
427.59836	0.3
431.09894	2.0
473.10922	85.6
474.11209	2.2
480.67188	0.3
517.10095	0.9
544.84351	0.3
575.13947	0.4
624.23627	0.3
1001.08575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28852	2.1
69.29249	1.0
71.01385	2.8
72.99285	0.9
73.02938	0.7
75.00896	1.2
77.27768	0.4
85.02955	5.6
87.00893	1.1
89.74915	0.4
93.03430	0.7
95.01417	2.3
98.21806	0.8
99.00880	2.1
101.02431	0.6
103.00367	0.8
110.00106	4.1
111.00815	0.5
113.02460	14.5
117.01909	0.5
119.05044	6.7
123.00891	0.8
124.01649	0.7
129.01883	0.5
136.98814	2.2
137.99580	1.5
139.00372	2.8
141.07120	0.8
143.04964	0.6
145.02991	0.5
152.01140	0.9
164.98320	3.4
165.99089	6.6
166.99864	2.8
167.05020	0.8
169.06639	2.4
171.04526	1.3
175.02505	5.8
180.00659	1.9
181.01448	2.4
192.00652	0.9
195.04553	1.4
196.05357	0.6
197.06082	3.3
207.02953	0.6
213.05577	1.7
223.04059	3.6
225.05649	0.8
240.04156	0.7
241.05055	3.5
251.03529	2.4
267.02960	1.2
268.03708	1.9
269.04565	100.0
270.04892	3.2
285.04080	9.0
286.04861	16.9
292.46829	0.5
301.07193	68.7
302.07535	1.9
305.51956	0.5
343.08282	1.3
357.07153	0.6
445.07767	11.0
461.07321	3.0
467.06256	2.5
468.06256	1.9
505.13647	2.4
627.47516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36030	1.7
69.36428	3.9
71.01386	11.4
72.99317	1.8
73.02946	1.7
75.00880	4.5
77.55576	1.0
82.00638	2.8
85.02961	33.4
87.00888	4.4
89.02464	2.7
93.03470	3.1
95.01393	13.0
99.00896	9.5
103.00392	4.7
110.00104	23.4
111.00908	1.9
113.02463	77.5
115.00421	2.7
117.01989	2.5
119.05039	16.1
124.01678	3.3
129.01965	1.7
136.41539	1.0
136.98849	4.0
137.02466	1.9
137.99593	7.1
139.00420	7.0
139.68436	1.1
151.00375	1.0
152.01178	4.8
157.01460	1.6
165.99089	32.8
166.99879	14.8
175.02496	54.0
178.99892	1.6
180.00673	7.8
181.01436	14.7
192.00687	1.5
197.97769	1.2
207.02904	1.1
229.05032	1.7
230.05838	2.5
269.04626	1.8
269.43210	1.1
284.03354	2.5
285.03989	7.8
286.04858	71.7
299.05780	1.6
301.07208	100.0
302.07495	2.3
440.23090	1.2
461.07443	1.7
477.10431	41.1
478.10278	2.0
489.10385	1.7
647.50848	1.2
896.02307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
77.51653	10.8
117.03493	72.2
118.45612	12.6
146.83049	13.4
148.68863	15.5
161.02397	11.6
177.64633	14.4
184.41145	15.2
214.82797	14.4
255.02914	41.0
266.05893	15.3
277.21719	29.1
405.16956	23.9
885.93921	16.2
919.47986	19.8
945.46924	100.0
963.47595	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59722	0.1
71.01386	3.4
72.99310	0.7
73.02943	0.4
73.04823	0.1
75.00874	1.9
83.01390	0.7
84.02200	0.1
85.02956	9.1
87.00887	1.3
89.02454	0.7
95.01395	4.6
95.02023	0.2
96.99334	0.4
97.19959	0.1
99.00891	3.5
99.01546	0.2
101.02438	0.1
103.00385	1.7
107.34184	0.1
108.02180	0.7
109.02952	0.3
110.00129	0.2
111.00890	3.9
111.01672	0.2
112.01265	0.1
113.02459	21.4
114.02784	0.1
115.00407	0.7
117.01946	1.0
118.85158	0.1
123.00889	1.2
124.01673	7.1
124.98830	0.3
125.02425	0.1
129.01961	0.6
131.05002	0.1
133.01460	0.1
136.01671	2.0
136.97792	0.2
136.98817	2.9
136.99873	0.2
139.00388	6.8
140.01123	0.3
141.07147	0.1
145.06558	0.1
149.50368	0.1
152.01167	7.0
153.01918	0.4
153.07115	0.2
155.03525	0.4
155.04819	0.1
156.00671	0.4
156.03847	0.1
157.01416	0.5
157.04053	0.1
157.06596	0.9
164.98323	0.3
165.07120	0.3
165.99069	0.1
166.98457	0.2
166.99864	3.1
167.03502	0.3
167.04897	0.2
169.06589	0.2
171.04515	0.1
171.08157	0.8
173.06075	1.8
175.02492	11.9
180.00633	0.5
181.06557	0.8
183.08197	0.2
184.05328	0.1
185.06108	1.8
193.01424	0.9
193.03293	0.2
197.06117	0.6
199.04137	0.1
199.07651	1.0
201.05571	0.9
209.06116	1.1
210.03299	0.1
215.07098	0.3
225.05580	4.3
226.05771	0.1
227.07155	2.2
229.05064	0.8
243.06625	31.0
244.06978	0.6
253.05072	6.0
254.05713	0.1
269.04520	0.2
270.05008	0.1
271.06128	100.0
272.06482	1.9
285.04034	0.4
286.04416	0.3
301.07059	0.2
302.07596	0.1
313.07141	0.3
388.38351	0.1
427.11771	0.1
427.36221	0.1
447.09348	20.9
448.09616	0.4
504.84879	0.1
505.13538	0.8
506.13785	0.7
507.14258	0.7
674.79132	0.1
830.61298	0.1
943.78339	0.1
END